Repository: bytedance/dplm Branch: main Commit: 8a2e15e53416 Files: 319 Total size: 12.3 MB Directory structure: gitextract_uly26sb1/ ├── .gitignore ├── .pre-commit-config.yaml ├── LICENSE ├── README.md ├── analysis/ │ ├── TMalign │ ├── TMalign.cpp │ ├── TMscore │ ├── TMscore.cpp │ ├── cal_plddt_dir.py │ ├── cal_tmscore.py │ ├── motif_analysis.ipynb │ ├── plddt_calculate.sh │ ├── plot.ipynb │ └── uncond_analysis.ipynb ├── configs/ │ ├── callbacks/ │ │ ├── default.yaml │ │ ├── fixedbb.yaml │ │ ├── lm.yaml │ │ └── structok.yaml │ ├── config.yaml │ ├── datamodule/ │ │ ├── cath_4.3.yaml │ │ ├── pdb.yaml │ │ ├── tokenized_protein.yaml │ │ ├── uniref50.yaml │ │ └── uniref50_hf.yaml │ ├── experiment/ │ │ ├── base.yaml │ │ ├── dplm/ │ │ │ ├── cond_dplm_150m.yaml │ │ │ ├── cond_dplm_3b.yaml │ │ │ ├── cond_dplm_650m.yaml │ │ │ ├── dplm_150m.yaml │ │ │ ├── dplm_150m_ds.yaml │ │ │ ├── dplm_150m_stage2.yaml │ │ │ ├── dplm_15b_ds.yaml │ │ │ ├── dplm_30b_ds.yaml │ │ │ ├── dplm_3b.yaml │ │ │ ├── dplm_3b_ds.yaml │ │ │ ├── dplm_3b_stage2.yaml │ │ │ ├── dplm_650m.yaml │ │ │ ├── dplm_650m_ds.yaml │ │ │ ├── dplm_650m_stage2.yaml │ │ │ └── mlm_150m.yaml │ │ ├── dplm2/ │ │ │ ├── dplm2_150m.yaml │ │ │ ├── dplm2_3b.yaml │ │ │ ├── dplm2_650m.yaml │ │ │ ├── dplm2_650m_selfmixup.yaml │ │ │ └── dplm2_bit_650m.yaml │ │ └── structok/ │ │ ├── inference/ │ │ │ ├── forward_folding.yaml │ │ │ ├── inverse_folding.yaml │ │ │ ├── reconstruction.yaml │ │ │ ├── unconditional.yaml │ │ │ └── unconditional_codesign.yaml │ │ └── structok_lfq_8k_pdb_swissprot_c512.yaml │ ├── hydra/ │ │ └── default.yaml │ ├── logger/ │ │ ├── tensorboard.yaml │ │ └── wandb.yaml │ ├── paths/ │ │ └── default.yaml │ ├── test.yaml │ └── trainer/ │ ├── ddp.yaml │ ├── ddp_bf16.yaml │ ├── ddp_fp16.yaml │ ├── deepspeed_zero2.yaml │ ├── deepspeed_zero2_bf16.yaml │ ├── deepspeed_zero2_fp16.yaml │ ├── deepspeed_zero2_offload.yaml │ ├── deepspeed_zero3.yaml │ ├── deepspeed_zero3_bf16.yaml │ └── default.yaml ├── env.yml ├── generate_dplm.py ├── generate_dplm2.py ├── requirements.txt ├── run/ │ ├── scaffold_generate_dplm.py │ └── scaffold_generate_dplm2.py ├── scripts/ │ ├── download_cath.sh │ ├── download_metadata.sh │ ├── download_motif_scaffolds.sh │ ├── download_pdb_swissprot_hf.sh │ ├── download_uniref50_hf.sh │ └── install.sh ├── setup.cfg ├── setup.py ├── src/ │ └── byprot/ │ ├── __init__.py │ ├── datamodules/ │ │ ├── __init__.py │ │ ├── cath_datamodule.py │ │ ├── dataset/ │ │ │ ├── __init__.py │ │ │ ├── cath.py │ │ │ ├── data_utils.py │ │ │ ├── tokenized_protein.py │ │ │ ├── uniref.py │ │ │ └── uniref_hf.py │ │ ├── pdb_dataset/ │ │ │ ├── __init__.py │ │ │ ├── all_atom.py │ │ │ ├── pdb_datamodule.py │ │ │ ├── protein.py │ │ │ ├── residue_constants.py │ │ │ └── utils.py │ │ ├── tokenized_protein_datamodule.py │ │ ├── uniref50.py │ │ └── uniref50_hf.py │ ├── models/ │ │ ├── __init__.py │ │ ├── dplm/ │ │ │ ├── __init__.py │ │ │ ├── dplm.py │ │ │ ├── dplm_invfold.py │ │ │ └── modules/ │ │ │ ├── dplm_adapter.py │ │ │ ├── dplm_modeling_esm.py │ │ │ └── gvp_transformer_encoder.py │ │ ├── dplm2/ │ │ │ ├── __init__.py │ │ │ ├── dplm2.py │ │ │ ├── dplm2_bit.py │ │ │ └── modules/ │ │ │ ├── dplm2_bit_modeling_esm.py │ │ │ └── dplm2_modeling_esm.py │ │ ├── structok/ │ │ │ ├── modules/ │ │ │ │ ├── ema.py │ │ │ │ ├── folding_utils/ │ │ │ │ │ ├── __init__.py │ │ │ │ │ ├── categorical_mixture.py │ │ │ │ │ ├── decoder.py │ │ │ │ │ ├── esmfold.py │ │ │ │ │ ├── misc.py │ │ │ │ │ ├── pretrained.py │ │ │ │ │ ├── structure_module.py │ │ │ │ │ ├── tri_self_attn_block.py │ │ │ │ │ └── trunk.py │ │ │ │ ├── gvp_encoder.py │ │ │ │ ├── lfq.py │ │ │ │ ├── loss.py │ │ │ │ ├── nn.py │ │ │ │ └── vqvae.py │ │ │ └── structok_lfq.py │ │ └── utils.py │ ├── modules/ │ │ ├── __init__.py │ │ ├── cross_entropy.py │ │ ├── metrics.py │ │ └── protein_metrics.py │ ├── tasks/ │ │ ├── __init__.py │ │ ├── lm/ │ │ │ ├── dplm.py │ │ │ ├── dplm2.py │ │ │ ├── dplm_invfold.py │ │ │ └── mlm.py │ │ └── struct_tokenizer/ │ │ └── structok.py │ ├── testing_pipeline.py │ ├── training_pipeline.py │ └── utils/ │ ├── __init__.py │ ├── callbacks.py │ ├── config.py │ ├── io.py │ ├── logger.py │ ├── lr_scheduler.py │ ├── optim.py │ ├── protein/ │ │ ├── __init__.py │ │ ├── all_atom.py │ │ ├── evaluator_dplm2.py │ │ ├── folding_model.py │ │ ├── residue_constants.py │ │ ├── tokenize_pdb.py │ │ └── utils.py │ ├── registry.py │ ├── scaffold_utils.py │ └── strategies.py ├── test.py ├── train.py └── vendor/ └── openfold/ ├── CITATION.cff ├── Dockerfile ├── LICENSE ├── README.md ├── deepspeed_config.json ├── environment.yml ├── notebooks/ │ ├── OpenFold.ipynb │ └── environment.yml ├── openfold/ │ ├── __init__.py │ ├── config.py │ ├── data/ │ │ ├── __init__.py │ │ ├── data_modules.py │ │ ├── data_pipeline.py │ │ ├── data_transforms.py │ │ ├── errors.py │ │ ├── feature_pipeline.py │ │ ├── input_pipeline.py │ │ ├── mmcif_parsing.py │ │ ├── parsers.py │ │ ├── templates.py │ │ └── tools/ │ │ ├── __init__.py │ │ ├── hhblits.py │ │ ├── hhsearch.py │ │ ├── jackhmmer.py │ │ ├── kalign.py │ │ └── utils.py │ ├── model/ │ │ ├── __init__.py │ │ ├── dropout.py │ │ ├── embedders.py │ │ ├── evoformer.py │ │ ├── heads.py │ │ ├── model.py │ │ ├── msa.py │ │ ├── outer_product_mean.py │ │ ├── pair_transition.py │ │ ├── primitives.py │ │ ├── structure_module.py │ │ ├── template.py │ │ ├── torchscript.py │ │ ├── triangular_attention.py │ │ └── triangular_multiplicative_update.py │ ├── np/ │ │ ├── __init__.py │ │ ├── protein.py │ │ ├── relax/ │ │ │ ├── __init__.py │ │ │ ├── amber_minimize.py │ │ │ ├── cleanup.py │ │ │ ├── relax.py │ │ │ └── utils.py │ │ └── residue_constants.py │ ├── resources/ │ │ ├── __init__.py │ │ └── stereo_chemical_props.txt │ └── utils/ │ ├── __init__.py │ ├── argparse.py │ ├── callbacks.py │ ├── checkpointing.py │ ├── chunk_utils.py │ ├── exponential_moving_average.py │ ├── feats.py │ ├── import_weights.py │ ├── kernel/ │ │ ├── __init__.py │ │ ├── attention_core.py │ │ └── csrc/ │ │ ├── compat.h │ │ ├── softmax_cuda.cpp │ │ ├── softmax_cuda_kernel.cu │ │ └── softmax_cuda_stub.cpp │ ├── logger.py │ ├── loss.py │ ├── lr_schedulers.py │ ├── precision_utils.py │ ├── rigid_utils.py │ ├── script_utils.py │ ├── seed.py │ ├── superimposition.py │ ├── suppress_output.py │ ├── tensor_utils.py │ ├── trace_utils.py │ └── validation_metrics.py ├── run_pretrained_openfold.py ├── scripts/ │ ├── activate_conda_env.sh │ ├── alignment_db_scripts/ │ │ ├── create_alignment_db.py │ │ └── unify_alignment_db_indices.py │ ├── build_deepspeed_config.py │ ├── colabfold_search.sh │ ├── convert_of_weights_to_jax.py │ ├── data_dir_to_fasta.py │ ├── deactivate_conda_env.sh │ ├── download_alphafold_dbs.sh │ ├── download_alphafold_params.sh │ ├── download_bfd.sh │ ├── download_cameo.py │ ├── download_colabfold_envdb.sh │ ├── download_mgnify.sh │ ├── download_mmseqs_dbs.sh │ ├── download_openfold_params.sh │ ├── download_openfold_params_gdrive.sh │ ├── download_openfold_params_huggingface.sh │ ├── download_pdb70.sh │ ├── download_pdb_mmcif.sh │ ├── download_roda_pdbs.sh │ ├── download_small_bfd.sh │ ├── download_uniclust30.sh │ ├── download_uniref30.sh │ ├── download_uniref90.sh │ ├── flatten_roda.sh │ ├── generate_alphafold_feature_dict.py │ ├── generate_chain_data_cache.py │ ├── generate_mmcif_cache.py │ ├── install_hh_suite.sh │ ├── install_third_party_dependencies.sh │ ├── precompute_alignments.py │ ├── precompute_alignments_mmseqs.py │ ├── precompute_embeddings.py │ ├── prep_mmseqs_dbs.sh │ ├── prep_proteinnet_msas.py │ ├── run_unit_tests.sh │ ├── slurm_scripts/ │ │ └── run_uniclust30_search.sh │ ├── unpack_proteinnet.py │ ├── utils.py │ ├── vars.sh │ └── zero_to_fp32.py ├── setup.py ├── tests/ │ ├── __init__.py │ ├── compare_utils.py │ ├── config.py │ ├── data_utils.py │ ├── test_data/ │ │ ├── alignments/ │ │ │ ├── bfd_uniclust_hits.a3m │ │ │ ├── mgnify_hits.sto │ │ │ ├── pdb70_hits.hhr │ │ │ └── uniref90_hits.sto │ │ ├── alphafold_feature_dict.pickle │ │ ├── features.pkl │ │ ├── mmcifs/ │ │ │ ├── 1hf9.cif │ │ │ ├── 1psm.cif │ │ │ ├── 2crb.cif │ │ │ ├── 2q2k.cif │ │ │ ├── 3u8v.cif │ │ │ ├── 3zee.cif │ │ │ ├── 4i6p.cif │ │ │ ├── 4zey.cif │ │ │ └── 5kc1.cif │ │ └── short.fasta │ ├── test_data_pipeline.py │ ├── test_data_transforms.py │ ├── test_embedders.py │ ├── test_evoformer.py │ ├── test_feats.py │ ├── test_import_weights.py │ ├── test_kernels.py │ ├── test_loss.py │ ├── test_model.py │ ├── test_msa.py │ ├── test_outer_product_mean.py │ ├── test_pair_transition.py │ ├── test_primitives.py │ ├── test_structure_module.py │ ├── test_template.py │ ├── test_triangular_attention.py │ ├── test_triangular_multiplicative_update.py │ └── test_utils.py ├── thread_sequence.py └── train_openfold.py ================================================ FILE CONTENTS ================================================ ================================================ FILE: .gitignore ================================================ # Byte-compiled / optimized / DLL files 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## Overview 🌟 This repository contains the official implementation of training and inference as well as the pre-trained weights for the Family of Diffusion Protein Language Models (DPLM), including: - `DPLM` from ICML'24 paper ["Diffusion Language Models Are Versatile Protein Learners"](https://arxiv.org/abs/2402.18567), which introduces **d**iffusion **p**rotein **l**anguage **m**odel (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. - `DPLM-2` from ICLR'25 paper ["DPLM-2: A Multimodal Diffusion Protein Language Model"](https://arxiv.org/abs/2410.13782), a multimodal protein foundation model that extends discrete diffusion protein language model to accommodate both sequences and structures. - ICML'25 spotlight paper ["Elucidating the Design Space of Multimodal Protein Language Models"](https://arxiv.org/abs/2504.11454), where we elucidate the challenges of structure modeling of multimodal protein language models (e.g., DPLM-2 and ESM3) and propose advanced designs for better structure modeling. We have released the finer-grained bit-based generative modeling (`DPLM-2 Bit`). The full implementation of the paper will be released soon. ## Key Features 🔑 Specifically, the DPLM family exhibits impressive performance in protein (structure and sequence) co-generation, any-to-any conditional generation (e.g., folding, inverse folding, and motif scaffolding), and representation learning. We develop DPLM based on the [ByProt](https://github.com/BytedProtein/ByProt). This repository contains pretraining scripts for DPLM and running scripts for various protein generation and understanding tasks, as detailed below: - **Unconditional protein generation**: **DPLM** is capable of unconditionally generating protein sequences with reasonable predicted structures. **DPLM-2** can generate diverse and highly plausible proteins through simultaneous structure-sequence co-generation. - **Sequence-conditioned generation (forward folding)**: DPLM-2 can generate reasonable protein structure given the input protein sequence, achieving close performance with the strong folding model (e.g., ESMFold). - **Structure-conditioned generation (inverse folding)**: DPLM and DPLM-2 can produce sequences that can confidently fold into the given backbone structure. - **Motif scaffolding**: DPLM can generate reasonable scaffold sequences given specific functional motifs. DPLM-2 achieves more successful motif scaffolding through multimodal motif conditioning. - **Representation learning**: DPLM is a superior protein sequence representation learner, while DPLM-2 offers structure-aware protein represenrations, demonstrating impressive performance across a variety of protein predictive tasks. - **Controllable generation**: DPLM enjoys plug-and-play programmability, generating samples satisfying provided secondary structure annotations. **TODOs** - [ ] Controllable/guided generation with discrete diffusion classifier guidance. - [ ] Representation learning of DPLM-2 ## DPLM > ["Diffusion Language Models Are Versatile Protein Learners." Wang et al., In ICML 2024](https://arxiv.org/abs/2402.18567) ![DPLM](./assets/dplm.png) ## DPLM-2 > ["DPLM-2: A Multimodal Diffusion Protein Language Model." Wang et al., In ICLR 2025](https://arxiv.org/abs/2410.13782) ![DPLM-2](./assets/dplm-2.png) ## Updates 📢 - ​**​[2025-07]​** We update the default sampling strategy of **DPLM-2** to `annealing@2.0:0.1`. - ​**​[2025-04]​**​ Our latest work **DPLM-2.1**, which focuses on analysis and better protein structure modeling of multimodal protein language models, is accepted to ICML'25 Spotlight! Check [Elucidating the Design Space of Multimodal Protein Language Models](https://arxiv.org/abs/2504.11454). We have release the implementation of finer-grained and better structure modeling (**DPLM-2 Bit**). The full implementation will be released soon. - ​**​[2024-10]​**​ Check out our new work [DPLM-2](https://arxiv.org/abs/2410.13782), a multimodal protein foundation model that extends DPLM to simultaneously model, understand, and generate both sequences and structures! - ​**​[2024-03]​**​ We release [DPLM](https://arxiv.org/abs/2402.18567), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences! ## Table of Contents 📚 - [Quick Start](#quick-start) - [Installation](#installation) - [Load Pretrained Models](#load-pretrained-models) - [Generation Examples](#generation-examples) - [Model Checkpoints](#model-checkpoints) - [Advanced Usage](#advanced-usage) - [Training](#training) - [Unconditional protein (co-)generation](#unconditional-protein-co-generation) - [Protein sequence generation (DPLM)](#protein-sequence-generation-dplm) - [Protein sequence-structure co-generation (DPLM-2 & DPLM-2-Bit)](#protein-sequence-structure-co-generation-dplm-2--dplm-2-bit) - [Sequence-conditioned Generation: Forward Folding](#sequence-conditioned-generation-forward-folding) - [Structure-conditioned generation: inverse folding](#structure-conditioned-generation-inverse-folding) - [Motif scaffolding](#motif-scaffolding) - [Representation Learning](#representation-learning) - [Acknowledgements](#acknowledgements) - [Citation](#citation) # Quick Start ## Installation ```bash # clone project git clone --recursive https://url/to/this/repo/dplm.git cd dplm # create conda virtual environment env_name=dplm conda create -n ${env_name} python=3.9 pip conda activate ${env_name} # automatically install everything else bash scripts/install.sh ``` ## Load Pretrained Models Users can load DPLM/DPLM-2 checkpoint by: ```python from byprot.models.dplm import DiffusionProteinLanguageModel as DPLM from byprot.models.dplm2 import MultimodalDiffusionProteinLanguageModel as DPLM2 from byprot.models.dplm2 import DPLM2Bit dplm = DPLM.from_pretrained("airkingbd/dplm_650m").cuda() dplm2 = DPLM2.from_pretrained("airkingbd/dplm2_650m").cuda() dplm2_bit = DPLM2Bit.from_pretrained("airkingbd/dplm2_bit_650m").cuda() ``` ## Generation Examples **Protein sequence generation** ```python from generate_dplm import initialize_generation input_tokens = initialize_generation( length=200, num_seqs=5, tokenizer=dplm.tokenizer, device=next(dplm.parameters()).device ) samples = dplm.generate( input_tokens=input_tokens, max_iter=500, ) print([''.join(seq.split(' ')) for seq in dplm.tokenizer.batch_decode(samples, skip_special_tokens=True)]) ``` **Protein sequence-structure co-generation** User can check the generated sequence and structure in the `./generation-results` folder. ```python from generate_dplm2 import initialize_generation, save_results input_tokens = initialize_generation( task="co_generation", length=200, num_seqs=5, tokenizer=dplm2.tokenizer, device=next(dplm2.parameters()).device )[0] samples = dplm2.generate( input_tokens=input_tokens, max_iter=500, ) save_results( outputs=samples, task="co_generation", save_dir="./generation-results/dplm2_generation", tokenizer=dplm2.tokenizer, struct_tokenizer=dplm2.struct_tokenizer, save_pdb=True ) samples = dplm2_bit.generate( input_tokens=input_tokens, max_iter=500, ) save_results( outputs=samples, task="co_generation", save_dir="./generation-results/dplm2_bit_generation", tokenizer=dplm2_bit.tokenizer, struct_tokenizer=dplm2_bit.struct_tokenizer ) ``` ## Model Checkpoints Access pretrained models in varying sizes: | Model name | Model size | | ------------------------------------------------------------ | --------------- | | [dplm-150m](https://huggingface.co/airkingbd/dplm_150m/tree/main) | 150M parameters | | [dplm-650m](https://huggingface.co/airkingbd/dplm_650m/tree/main) | 650M parameters | | [dplm-3b](https://huggingface.co/airkingbd/dplm_3b/tree/main) | 3B parameters | | [dplm2-150m](https://huggingface.co/airkingbd/dplm2_150m/tree/main) | 150M parameters | | [dplm2-650m](https://huggingface.co/airkingbd/dplm2_650m/tree/main) | 650M parameters | | [dplm2-3b](https://huggingface.co/airkingbd/dplm2_3b/tree/main) | 3B parameters | | [dplm2-bit-650m](https://huggingface.co/airkingbd/dplm2_bit_650m/tree/main) | 650M parameters | # Advanced Usage ## Training ### DPLM #### Dataset We pretrain DPLM on the UniRef50 dataset, which contains about 42 million protein sequences. We obtain the preprocessed UniRef50 dataset provided by [EvoDiff (Alamdari et al, 2023)](https://www.biorxiv.org/content/10.1101/2023.09.11.556673v1), which can be downloaded from this [link](https://zenodo.org/record/6564798). After downloading, please place the dataset in the `./data-bin/uniref50` folder. We also provide the preprocessed dataset in [HuggingFace datasets](https://huggingface.co/datasets/airkingbd/uniref50) format, which we recommend to use. User can download the HF dataset locally in advance for faster loading by: ```bash bash scripts/download_uniref50_hf.sh ``` #### Example of training We train DPLM with approximately 1 million tokens per batch for 100,000 training steps. The following command is run on one node with 8 A100 GPUs. If you want to train on multiple nodes, you can adjust the total number of tokens by ensuring that `max_tokens` \* `accumulate_grad_batches`\*`#GPUs` is approximately 1 million. ```bash export CUDA_VISIBLE_DEVICES=0,1,2,3,4,5,6,7 max_tokens=8192 accumulate_grad_batches=16 # this means the effective batch size is #GPUs(8) * max_tokens(8192) * accumulate_grad_batches(16), resulting in approximately 1 million. exp=dplm/dplm_650m model_name=dplm_650m python train.py \ experiment=${exp} name=${model_name} \ datamodule.max_tokens=${max_tokens} \ trainer.accumulate_grad_batches=${accumulate_grad_batches} ``` You can adjust the other training configurations in the `configs/experiment/dplm/dplm_650m.yaml` as needed. ### DPLM-2 #### Dataset We use the experimental structures from [PDB](https://pubmed.ncbi.nlm.nih.gov/10592235/) and AF2-predicted structures from [SwissProt](https://academic.oup.com/nar/article/50/D1/D439/6430488) dataset as training data for DPLM-2. We provide a preprocessed [HuggingFace dataset](https://huggingface.co/datasets/airkingbd/pdb_swissprot) of PDB and SwissProt. User can download the HF dataset locally in advance for faster loading by: ```bash bash scripts/download_pdb_swissprot.sh ``` #### Example of training As noted in section 3.2 in [DPLM-2](https://arxiv.org/abs/2410.13782) paper, we propose an efficient warm-up training strategy to mitigate the scarcity of structure training data. During training, we initialize the DPLM-2 model with pretrained DPLM checkpoint, to leverage the evolutionary knowledge captured by sequence-based pLM during large-scale sequence pretraining, which is beneficial for structure modeling. We train DPLM-2 with approximately 64,000 tokens per batch for 100,000 training steps. To preserve the evolutionary knowledge captured by DPLM, we use the [LoRA](github.com/peft) to prevent large parameter shifts. The training command is as follows: ```bash export CUDA_VISIBLE_DEVICES=0,1,2,3,4,5,6,7 max_tokens=8192 accumulate_grad_batches=1 # this means the effective batch size is #GPUs(8) * max_tokens(8192) * accumulate_grad_batches(1), resulting in approximately 64 thousand. exp=dplm2/dplm2_650m model_name=dplm2_650m python train.py \ experiment=${exp} name=${model_name} \ datamodule.max_tokens=${max_tokens} \ trainer.accumulate_grad_batches=${accumulate_grad_batches} ``` ### DPLM-2 Bit-based Modeling In our latest work [DPLM-2.1](https://arxiv.org/abs/2504.11454), we show that the index-based structure token is challenging for the model to predict. A finer-grained, bit-based modeling approach in the latent space (i.e., predicting each bit of the quantized structure feature instead of the index) leads to better structural modeling and generation performance. The training dataset is same to DPLM-2, and the training command is as below: ```bash export CUDA_VISIBLE_DEVICES=0,1,2,3,4,5,6,7 max_tokens=8192 accumulate_grad_batches=1 # this means the effective batch size is #GPU(8) * max_tokens(8192) * accumulate_grad_batches(1), resulting in approximately 64 thousand. exp=dplm2/dplm2_bit_650m model_name=dplm2_bit_650m python train.py \ experiment=${exp} name=${model_name} \ datamodule.max_tokens=${max_tokens} \ trainer.accumulate_grad_batches=${accumulate_grad_batches} ``` ## Unconditional protein (co-)generation ### Protein sequence generation (DPLM) The results of unconditional protein sequence generation of DPLM of different scales (150M, 650M, 3B) are shown in the table below. For more details, please refer to our paper. | Length | 100 | 200 | 300 | 400 | 500 | 600 | 700 | 800 | 900 | 1000 | | ------ | ------------- | ------------- | ------------- | ------------- | ------------- | ------------- | ------------- | ------------- | -------------- | -------------- | | 150M | 73.31 | 84.30 | 84.82 | 86.90 | 81.71 | 81.53 | 81.56 | 80.92 | 78.71 | 72.10 | | 650M | 74.00 (+0.69) | 85.61 (+1.31) | 85.91 (+1.09) | 88.16 (+1.26) | 82.58 (+0.87) | 84.38 (+2.85) | 83.87 (+2.31) | 83.00 (+2.08) | 84.92 (+6.21) | 81.51 (+9.41) | | 3B | 77.78 (+4.47) | 86.16 (+1.86) | 87.39 (+2.57) | 90.06 (+3.16) | 87.43 (+5.72) | 86.01 (+4.48) | 84.64 (+3.08) | 85.88 (+4.96) | 85.93 (+7.22) | 83.86 (+11.76) | To generate new protein sequences using a pre-trained DPLM model: ```bash model_name=dplm_650m # choose from dplm_150m, dplm_650m, dplm_3b output_dir=generation-results/${model_name}/uncond_generation mkdir -p generation-results python generate_dplm.py --model_name airkingbd/${model_name} \ --seq_lens 100 200 300 400 500 \ --saveto ${output_dir} # Evaluation bash anylasis/plddt_calculate.sh ${output_dir} # compute pLDDT using ESMFold ``` We also provide evaluation scripts in the `analysis` folder. Users can use the `analysis/uncond_analysis.ipynb` to obtain average pLDDT score of each length and draw the line chart of the pLDDT score. ### Protein sequence-structure co-generation (DPLM-2 & DPLM-2-Bit) DPLM-2 can generate diverse and highly-plausible protein with simultaneous structure-sequence co-generation. Descriptive text for your image User can co-generate sequence and structure simultaneously with the command below: ```bash # choose from dplm2_150m, dplm2_650m, dplm2_3b model_name=dplm2_650m # About the default sampling strategy, annealing@2.0:0.1, # which anneals the temperature from 2.0 to 0.1. # It begins with high randomness to maximize diversity # and concludes with low randomness to ensure designability. # This achieves a better trade-off between the quality and diversity. sampling_strategy=annealing@2.0:0.1 output_dir=generation-results/${model_name} task=co_generation mkdir -p ${output_dir} python generate_dplm2.py \ --model_name airkingbd/${model_name} \ --task ${task} \ --sampling_strategy ${sampling_strategy} \ --num_seqs 50 \ --max_iter 500 \ --seq_lens 100 200 300 400 500 \ --saveto ${output_dir} # Evaluation input_fasta_dir=${output_dir}/co_generation python src/byprot/utils/protein/evaluator_dplm2.py -cn unconditional_codesign \ inference.input_fasta_dir=${input_fasta_dir} ``` User can use `analysis/plot.ipynb` to plot the rmsd, tmscore distribution and diversity of each length. Co-generate sequence and structure with dplm-2 bit modeling variant: ```bash model_name=dplm2_bit_650m sampling_strategy=annealing@1.1:0.1 output_dir=generation-results/${model_name} task=co_generation mkdir -p ${output_dir} python generate_dplm2.py \ --model_name airkingbd/${model_name} \ --task ${task} \ --bit_model \ --sampling_strategy ${sampling_strategy} \ --num_seqs 50 \ --max_iter 500 \ --seq_lens 100 200 300 400 500 \ --saveto ${output_dir} ``` ## Sequence-conditioned Generation: Forward Folding DPLM-2 spontaneously enables protein structure prediction given sequence (i.e., folding) in a zero-shot manner. We use the [CAMEO 2022 (provided by EigenFold)](https://github.com/bjing2016/EigenFold) and a [PDB date split (provided by MultiFlow)](https://github.com/jasonkyuyim/multiflow) as testsets, and we provide our preprocessed dataset in this [link](https://zenodo.org/records/15424801), and can be downloaded by: ```bash bash script/download_metadata.sh ``` Partial results are shown in the table below. For more details, please refer to [DPLM-2.1](https://arxiv.org/abs/2504.11454) paper. | Models | CAMEO 2022 | | PDB date | | |---|---|---|---|---| | | rmsd | tmscore | Rmsd | tmscore | | ESMFold | 3.99 | 0.85 | 2.84 | 0.93 | | DPLM-2 | 7.70 | 0.79 | 5.30 | 0.83 | | DPLM-2 Bit | 6.40 | 0.84 | 3.22 | 0.90 | The folding generation and evaluation script is as follows. We utilize RMSD and TMscore between the predicted and ground truth structures for evaluation. DPLM-2 adopts argmax decoding for 100 sampling iterations. ```bash model_name=dplm2_650m output_dir=generation-results/${model_name} task=folding mkdir -p ${output_dir} input_fasta_path=data-bin/cameo2022/aatype.fasta python generate_dplm2.py \ --model_name airkingbd/${model_name} \ --task ${task} \ --input_fasta_path ${input_fasta_path} \ --max_iter 100 \ --unmasking_strategy deterministic \ --sampling_strategy argmax \ --saveto ${output_dir} # Evaluation input_fasta_dir=${output_dir}/folding python src/byprot/utils/protein/evaluator_dplm2.py -cn forward_folding inference.input_fasta_dir=${input_fasta_dir} ``` For structure prediction conditioned on other customized sequences, users can input a FASTA file and modify the `input_fasta_path` variable to generate the predicted structure. ## Structure-conditioned generation: inverse folding DPLM family can perform inverse folding in different ways according to DPLM variant. DPLM performs inverse folding by placing an adapter layer on the top of pLM, similar to [LM-Design](https://github.com/BytedProtein/ByProt). On the other hand, DPLM-2 directly conditions on the tokenized structure tokens to predict the sequence. ### Inverse Folding with DPLM Partial results on the CATH 4.3 dataset are shown in the table below. For more details, please refer to our paper. | Models | Trainable Params. | AAR | scTM | pLDDT | |-----------|-------------------|-----------|----------|-----------| | LM-Design | 6.3M/650M | 56.49 | 0.85 | 74.89 | | DPLM-150M | 3.1M/150M | 53.27 | 0.85 | 75.31 | | DPLM-650M | 6.3M/650M | _56.61_ | _0.86_ | _76.78_ | | DPLM-3B | 68.2M/3.0B | **58.64** | **0.86** | **76.95** | #### Data **Download the preproceesd CATH datasets** - CATH 4.2 dataset provided by [Generative Models for Graph-Based Protein Design (Ingraham et al, NeurIPS'19)](https://papers.nips.cc/paper/2019/hash/f3a4ff4839c56a5f460c88cce3666a2b-Abstract.html) - CATH 4.3 dataset provided by [Learning inverse folding from millions of predicted structures (Hsu et al, ICML'22)](https://www.biorxiv.org/content/10.1101/2022.04.10.487779v1) ```bash bash scripts/download_cath.sh ``` #### Training We train structure-conditional DPLM based on the [LM-Design](https://github.com/BytedProtein/ByProt) framework, designating the pre-trained protein language model as DPLM. The training script is as below. ```bash exp=dplm/dplm_650m_invfold dataset=cath_4.3 name=${dataset}/dplm_650m/invfold python train.py \ experiment=${exp} datamodule=${dataset} name=${name} \ logger=tensorboard trainer=ddp_fp16 ``` #### Evaluation on valid/test datasets Users can set the `eval_sc` to `true` to calculate the self-consistency TMscore and pLDDT, which will result in a significant evaluation time overhead. ```bash dataset=cath_4.3 exp_path=${dataset}/dplm_650m/invfold eval_sc=false # if set ${eval_sc} to true, the program will calculate the self-consistency # TMscore and pLDDT during generation, # thus siginificantly increase the evaluation time. python test.py \ experiment_path=${exp_path} \ data_split=test ckpt_path=best.ckpt mode=predict \ task.generator.max_iter=100 task.generator.eval_sc=${eval_sc} ``` ### Inverse Folding with DPLM-2 We provide the CAMEO 2022 and PDB date test set split used in our paper, where the structure has been tokenized and saved to `data-bin/cameo2022/struct.fasta` and `data-bin/PDB_date/struct.fasta`. User can use the following script to do the inverse folding and evaluation. ```bash model_name=dplm2_650m output_dir=generation-results/${model_name} task=inverse_folding mkdir -p ${output_dir} input_fasta_path=data-bin/cameo2022/struct.fasta python generate_dplm2.py \ --model_name airkingbd/${model_name} \ --task ${task} \ --input_fasta_path ${input_fasta_path} \ --max_iter 100 \ --unmasking_strategy deterministic \ --sampling_strategy argmax \ --saveto ${output_dir} # Evaluation input_fasta_dir=${output_dir}/inverse_folding python src/byprot/utils/protein/evaluator_dplm2.py -cn inverse_folding inference.input_fasta_dir=${input_fasta_dir} ``` For any customized input structure, user can first tokenize the structure with structure tokenizer and save it to a FASTA file using the following script: ```bash # Tokenize # each protein is represented by a pdb file input_pdb_folder=/path/to/your/input/structure # this will save two fasta files in the ${input_pdb_folder}/tokenized_protein folder: # 1) struct.fasta, containing the tokenized structure tokens # 2) aatype.fasta, containing the amino acid tokens. python src/byprot/utils/protein/tokenize_pdb.py --input_pdb_folder ${input_pdb_folder} --output_dir ${input_pdb_folder}/tokenized_protein ``` Then user can specify the path of generated `struct.fasta` as input and predict the sequence. ## Motif scaffolding DPLM and DPLM-2 can both perform motif scaffolding. DPLM can condition on the motif sequence and predict the scaffold sequence. DPLM-2 is able to condition on both the sequence and structure of the motif and simultaneously co-generate the sequence and structure of the scaffold part, which leads to better performance. We examine on the benchmark, provided by [FrameFlow](https://github.com/microsoft/protein-frame-flow/blob/main/motif_scaffolding/benchmark.csv). We use the motif pdb files which are provided by [EvoDiff](https://github.com/microsoft/evodiff/tree/main/examples/scaffolding-pdbs), and we also provide the pdbs and the corresponding structure tokens in this [link](https://zenodo.org/records/15424801). You can download the dataset by ```bash bash scripts/download_motif_scaffolds.sh ``` For each motif-scaffolding problem, we sample 100 sequences and then calculate the success rate according to two aspects: motif part consistency and overall quality. For motif part consistency, we use the motif-RMSD < 1$\AA$ as the success criterion. For overall quality, the assessment varies across different approaches: sequence-based method (DPLM) we use pLDDT > 70, while for co-generation method (DPLM-2) we use scTM > 0.8. For more details, please refer to our paper. The success rate of each motif-scaffold problem is shown below. | | Pass rate | Avg. Success rate | 1BCF | 1PRW | 1QJG | 1YCR | 2KL8 | 3IXT | 4JHW | 4ZYP | 5IUS | 5TPN | 5TRV_long | 5TRV_med | 5TRV_short | 5WN9 | 5YUI | 6E6R_long | 6E6R_med | 6E6R_short | 6EXZ_long | 6EXZ_med | 6EXZ_short | 7MRX_long | 7MRX_med | 7MRX_short | |---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---| | DPLM | 11/24 | 0.19 | 0.00 | 0.83 | 0.00 | 0.38 | 0.08 | 0.17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.65 | 0.94 | 0.87 | 0.01 | 0.00 | 0.00 | 0.02 | 0.31 | 0.34 | | DPLM-2 | 18/24 | 0.29 | 0.01 | 0.84 | 0.02 | 0.53 | 0.57 | 0.41 | 0.00 | 0.10 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.00 | 0.00 | 0.78 | 0.77 | 0.64 | 0.44 | 0.55 | 0.58 | 0.20 | 0.22 | 0.24 | ### DPLM We provide the following script to sample sequences for each motif-scaffolding problem. Note that before generation, you should download the motif pdbs and place them in the `data-bin/scaffolding-pdbs` folder. ```bash export CUDA_VISIBLE_DEVICES=0 model_name=dplm_650m output_dir=./generation-results/${model_name}/motif_scaffold mkdir -p generation-results # Generate scaffold python run/scaffold_generate_dplm.py \ --model_name airkingbd/${model_name} \ --num_seqs 100 \ --saveto $output_dir # Predict structure by ESMFold max_tokens=1024 pdb_path=$output_dir/scaffold_fasta/esmfold_pdb # folding mkdir -p $pdb_path echo 'folding by ESMFold' output_filename_list=$(ls ${output_dir}/scaffold_fasta) echo $output_filename_list python analysis/cal_plddt_dir.py -i ${output_dir}/scaffold_fasta -o ${pdb_path} --max-tokens-per-batch ${max_tokens} ``` For evaluation, users can use the `analysis/motif_analysis.ipynb` to obtain success rate of each problem. ### DPLM-2 Before generation, the FASTA file of tokenized structure tokens and amino acid tokens of the motif should be in the `data-bin/scaffolding-pdbs` folder. Users can co-generate the scaffold sequence and structure, conditioning on the sequence and structure of the motif part. ```bash export CUDA_VISIBLE_DEVICES=0 model_name=dplm2_650m output_dir=./generation-results/${model_name}/motif_scaffold mkdir -p generation-results # Generate scaffold python run/scaffold_generate_dplm2.py \ --model_name airkingbd/${model_name} \ --num_seqs 100 \ --saveto ${output_dir} # Predict structure by ESMFold max_tokens=1024 python analysis/cal_plddt_dir.py -i ${output_dir}/scaffold_fasta --max-tokens-per-batch ${max_tokens} # Calculate sc-TMscore python src/byprot/utils/protein/evaluator_dplm2.py -cn unconditional_codesign \ inference.input_fasta_dir=${output_dir}/scaffold_fasta inference.calculate_diversity=false ``` For evaluation, users can use the `analysis/motif_analysis.ipynb` to obtain success rate of each problem. ## Representation Learning The DPLM family excels in various downstream protein predictive tasks. DPLM is a superior protein sequence representation learner, while DPLM-2 can perform multimodal representation learning by leveraging both structure and sequence information, demonstrating its versatility and effectiveness. The following table summarizes the DPLM family performance, and the italic number means performance of DPLM-2, which offers structure-aware protein representations and outperforms sequence-based DPLM on most of the predictive tasks. Meanwhile, we also find the performance improves along with the model size. | Models | Thermostability | HumanPPI | Metal Ion Binding | EC | GO-MF | GO-BP | GO-CC | DeepLoc-Subcellular | DeepLoc-Binary | | --------------------- | --------------- | --------- | ----------------- | --------- | :-------: | :-------: | :-------: | ------------------- | -------------- | | ESM2 (650M) | 0.691 | 84.78 | 71.88 | 0.866 | 0.676 | 0.344 | 0.402 | 83.68 | 92.28 | | AR-LM | 0.638 | 68.48 | 61.66 | 0.691 | 0.566 | 0.258 | 0.287 | 68.53 | 88.31 | | DPLM (150M) | 0.687 | 80.98 | 72.17 | 0.822 | 0.662 | 0.328 | 0.379 | 82.41 | 92.63 | | DPLM (650M) | 0.695 | 86.41 | 75.15 | 0.875 | 0.680 | 0.357 | 0.409 | 84.56 | 93.09 | | DPLM-2 (650M) | **_0.714_** | _84.44_ | _74.28_ | _0.878_ | _0.680_ | _0.359_ | _0.411_ | 82.98 | _93.64_ | | *DPLM-2 (650M) | -- | _87.78_ | -- | --| --| -- | -- | _83.42_ | -- | | DPLM (3B) | 0.704 | **90.00** | **75.94** | **0.883** | **0.687** | **0.369** | **0.463** | **85.32** | **93.93** | > We find DPLM-2 demonstrates a performance degradation on some tasks (e.g., HumanPPI and DeepLoc-Subcellular), due to continue training on smaller magnitude of structure data and result in overfitting and degradation of the representations learned during large-scale sequence pretraining. \* means training on the larger-scale [AFDB representative](https://www.nature.com/articles/s41586-023-06510-w) structure data, and we find that enlarging structure data is indeed a key factor for better multimodal protein representations. Please refer to DPLM-2 paper for more details about this. The training and evaluation pipeline is based on the [SaProt](https://github.com/westlake-repl/SaProt/tree/main) repository, and we slightly modify the code to support DPLM. Users can select the "representationlearning" branch for the evaluation of protein predictive tasks. # Acknowledgements DPLM extends its gratitude to the following projects and individuals. We draw inspiration and leverages/modifies implementations from: - [microsoft/evodiff](https://github.com/microsoft/evodiff) for the preprocessed UniRef50 dataset, sequence sampling evaluation implementation and data pipeline. - [westlake-repl/SaProt](https://github.com/westlake-repl/SaProt/tree/main) for the representation learning evaluation pipeline. - [jingraham/neurips19-graph-protein-design](https://github.com/jingraham/neurips19-graph-protein-design) for the preprocessed CATH dataset. - [facebook/esm](https://github.com/facebookresearch/esm/) for their ESM implementations and pretrained model weights. - [jasonkyuyim/se3_diffusion](https://github.com/jasonkyuyim/se3_diffusion) for their self-consistency structural evaluation implementation. - [jasonkyuyim/multiflow](https://github.com/jasonkyuyim/multiflow) for their evaluation pipeline, structure data processing and preprocessed PDB dataset. - [bjing2016/EigenFold](https://github.com/bjing2016/EigenFold) for the CAMEO 2022 dataset. We express our sincere appreciation to the authors of these repositories for their invaluable contributions to the development of DPLM family. # Citation ``` @inproceedings{wang2024dplm, title={Diffusion Language Models Are Versatile Protein Learners}, author={Wang, Xinyou and Zheng, Zaixiang and Ye, Fei and Xue, Dongyu and Huang, Shujian and Gu, Quanquan}, booktitle={International Conference on Machine Learning}, year={2024} } @inproceedings{wang2025dplm2, title={DPLM-2: A Multimodal Diffusion Protein Language Model}, author={Wang, Xinyou and Zheng, Zaixiang and Ye, Fei and Xue, Dongyu and Huang, Shujian and Gu, Quanquan}, booktitle={International Conference on Learning Representations}, year={2025} } @inproceedings{hsieh2025dplm2_1, title={Elucidating the Design Space of Multimodal Protein Language Models}, author={Hsieh, Cheng-Yen and Wang, Xinyou and Zhang, Daiheng and Xue, Dongyu and Ye, Fei and Huang, Shujian and Zheng, Zaixiang and Gu, Quanquan}, booktitle={International Conference on Machine Learning}, year={2025} } ``` ================================================ FILE: analysis/TMalign.cpp ================================================ /* TM-align: sequence-independent structure alignment of monomer proteins by * TM-score superposition. Please report issues to yangzhanglab@umich.edu * * References to cite: * Y Zhang, J Skolnick. Nucl Acids Res 33, 2302-9 (2005) * * DISCLAIMER: * Permission to use, copy, modify, and distribute the Software for any * purpose, with or without fee, is hereby granted, provided that the * notices on the head, the reference information, and this copyright * notice appear in all copies or substantial portions of the Software. * It is provided "as is" without express or implied warranty. * * ========================== * How to install the program * ========================== * The following command compiles the program in your Linux computer: * * g++ -static -O3 -ffast-math -lm -o TMalign TMalign.cpp * * The '-static' flag should be removed on Mac OS, which does not support * building static executables. * * ====================== * How to use the program * ====================== * You can run the program without argument to obtain the document. * Briefly, you can compare two structures by: * * ./TMalign structure1.pdb structure2.pdb * * ============== * Update history * ============== * 2012/01/24: A C/C++ code of TM-align was constructed by Jianyi Yang * 2016/05/21: Several updates of this program were made by Jianji Wu: * (1) fixed several compiling bugs * (2) made I/O of C/C++ version consistent with the Fortran version * (3) added outputs including full-atom and ligand structures * (4) added options of '-i', '-I' and '-m' * 2016/05/25: Fixed a bug on PDB file reading * 2018/06/04: Several updates were made by Chengxin Zhang, including * (1) Fixed bug in reading PDB files with negative residue index, * (2) Implemented the fTM-align algorithm (by the '-fast' option) * as described in R Dong, S Pan, Z Peng, Y Zhang, J Yang * (2018) Nucleic acids research. gky430. * (3) Included option to perform TM-align against a whole * folder of PDB files. A full list of options not available * in the Fortran version can be explored by TMalign -h * 2018/07/27: Added the -byresi option for TM-score superposition without * re-alignment as in TMscore and TMscore -c * 2018/08/07: Added the -dir option * 2018/08/14: Added the -split option * 2018/08/16: Added the -infmt1, -infmt2 options. * 2019/01/07: Added support for PDBx/mmCIF format. * 2019/02/09: Fixed asymmetric alignment bug. * 2019/03/17: Added the -cp option for circular permutation * 2019/07/23: Supported RasMol output by '-o' option * 2019/07/24: Fixed bug on PyMOL format output by '-o' option with mmCIF input * 2019/08/18: Fixed bug on RasMol format output file *_atm. Removed excessive * circular permutation alignment by -cp * 2019/08/20: Clarified PyMOL syntax. * 2019/08/22: Added four additional PyMOL scripts. * 2020/12/12: Fixed bug in double precision coordinate cif file alignment. * 2021/02/24: Fixed file format issue for new incentive PyMOL. * 2022/04/12: Compatible with AlphaFold CIF */ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using namespace std; void print_version() { cout << "\n" " *********************************************************************\n" " * TM-align (Version 20220412): protein structure alignment *\n" " * References: Y Zhang, J Skolnick. Nucl Acids Res 33, 2302-9 (2005) *\n" " * Please email comments and suggestions to yangzhanglab@umich.edu *\n" " *********************************************************************" << endl; } void print_extra_help() { cout << "Additional options:\n" " -dir Perform all-against-all alignment among the list of PDB\n" " chains listed by 'chain_list' under 'chain_folder'. Note\n" " that the slash is necessary.\n" " $ TMalign -dir chain_folder/ chain_list\n" "\n" " -dir1 Use chain2 to search a list of PDB chains listed by 'chain1_list'\n" " under 'chain1_folder'. Note that the slash is necessary.\n" " $ TMalign -dir1 chain1_folder/ chain1_list chain2\n" "\n" " -dir2 Use chain1 to search a list of PDB chains listed by 'chain2_list'\n" " under 'chain2_folder'\n" " $ TMalign chain1 -dir2 chain2_folder/ chain2_list\n" "\n" " -suffix (Only when -dir1 and/or -dir2 are set, default is empty)\n" " add file name suffix to files listed by chain1_list or chain2_list\n" "\n" " -atom 4-character atom name used to represent a residue.\n" " Default is \" CA \" for proteins\n" " (note the spaces before and after CA).\n" "\n" " -ter Strings to mark the end of a chain\n" " 3: (default) TER, ENDMDL, END or different chain ID\n" " 2: ENDMDL, END, or different chain ID\n" " 1: ENDMDL or END\n" " 0: (default in the first C++ TMalign) end of file\n" "\n" " -split Whether to split PDB file into multiple chains\n" " 0: (default) treat the whole structure as one single chain\n" " 1: treat each MODEL as a separate chain (-ter should be 0)\n" " 2: treat each chain as a seperate chain (-ter should be <=1)\n" "\n" " -outfmt Output format\n" " 0: (default) full output\n" " 1: fasta format compact output\n" " 2: tabular format very compact output\n" " -1: full output, but without version or citation information\n" "\n" " -byresi Whether to assume residue index correspondence between the\n" " two structures.\n" " 0: (default) sequence independent alignment\n" " 1: (same as TMscore program) sequence-dependent superposition,\n" " i.e. align by residue index\n" " 2: (same as TMscore -c, should be used with -ter <=1)\n" " align by residue index and chain ID\n" " 3: (similar to TMscore -c, should be used with -ter <=1)\n" " align by residue index and order of chain\n" "\n" " -TMcut -1: (default) do not consider TMcut\n" " Values in [0.5,1): Do not proceed with TM-align for this\n" " structure pair if TM-score is unlikely to reach TMcut.\n" " TMcut is normalized is set by -a option:\n" " -2: normalized by longer structure length\n" " -1: normalized by shorter structure length\n" " 0: (default, same as F) normalized by second structure\n" " 1: same as T, normalized by average structure length\n" "\n" " -mirror Whether to align the mirror image of input structure\n" " 0: (default) do not align mirrored structure\n" " 1: align mirror of chain1 to origin chain2\n" "\n" " -het Whether to align residues marked as 'HETATM' in addition to 'ATOM '\n" " 0: (default) only align 'ATOM ' residues\n" " 1: align both 'ATOM ' and 'HETATM' residues\n" "\n" " -infmt1 Input format for chain1\n" " -infmt2 Input format for chain2\n" " -1: (default) automatically detect PDB or PDBx/mmCIF format\n" " 0: PDB format\n" " 1: SPICKER format\n" " 2: xyz format\n" " 3: PDBx/mmCIF format\n" <= minimum length of the two structures\n" " otherwise, TM-score may be >1\n" "\n" " -a TM-score normalized by the average length of two structures\n" " T or F, (default F)\n" "\n" " -i Start with an alignment specified in fasta file 'align.txt'\n" "\n" " -I Stick to the alignment specified in 'align.txt'\n" "\n" " -m Output TM-align rotation matrix\n" "\n" " -d TM-score scaled by an assigned d0, e.g. 5 Angstroms\n" "\n" " -o Output the superposition to 'TM_sup*'\n" " $ TMalign PDB1.pdb PDB2.pdb -o TM_sup\n" " View superposed C-alpha traces of aligned regions by RasMol or PyMOL:\n" " $ rasmol -script TM_sup\n" " $ pymol -d @TM_sup.pml\n" " View superposed C-alpha traces of all regions:\n" " $ rasmol -script TM_sup_all\n" " $ pymol -d @TM_sup_all.pml\n" " View superposed full-atom structures of aligned regions:\n" " $ rasmol -script TM_sup_atm\n" " $ pymol -d @TM_sup_atm.pml\n" " View superposed full-atom structures of all regions:\n" " $ rasmol -script TM_sup_all_atm\n" " $ pymol -d @TM_sup_all_atm.pml\n" " View superposed full-atom structures and ligands of all regions\n" " $ rasmol -script TM_sup_all_atm_lig\n" " $ pymol -d @TM_sup_all_atm_lig.pml\n" "\n" " -fast Fast but slightly inaccurate alignment by fTM-align algorithm\n" "\n" " -cp Alignment with circular permutation\n" "\n" " -v Print the version of TM-align\n" "\n" " -h Print the full help message, including additional options\n" "\n" " (Options -u, -a, -d, -o will not change the final structure alignment)\n\n" "Example usages:\n" " TMalign PDB1.pdb PDB2.pdb\n" " TMalign PDB1.pdb PDB2.pdb -u 100 -d 5.0\n" " TMalign PDB1.pdb PDB2.pdb -a T -o PDB1.sup\n" " TMalign PDB1.pdb PDB2.pdb -i align.txt\n" " TMalign PDB1.pdb PDB2.pdb -m matrix.txt\n" " TMalign PDB1.pdb PDB2.pdb -fast\n" " TMalign PDB1.pdb PDB2.pdb -cp\n" < inline T getmin(const T &a, const T &b) { return b void NewArray(A *** array, int Narray1, int Narray2) { *array=new A* [Narray1]; for(int i=0; i void DeleteArray(A *** array, int Narray) { for(int i=0; i &line_vec, const char delimiter=' ') { bool within_word = false; for (int pos=0;pos= 0 && idxEnd >= 0) result = inputString.substr(idxBegin, idxEnd + 1 - idxBegin); return result; } /* split a long string into vectors by whitespace, return both whitespaces * and non-whitespaces * line - input string * line_vec - output vector * space_vec - output vector * delimiter - delimiter */ void split_white(const string &line, vector &line_vec, vector&white_vec, const char delimiter=' ') { bool within_word = false; for (int pos=0;pos >&PDB_lines, vector &chainID_list, vector &mol_vec, const int ter_opt, const int infmt_opt, const string atom_opt, const int split_opt, const int het_opt) { size_t i=0; // resi i.e. atom index string line; char chainID=0; string resi=""; bool select_atom=false; size_t model_idx=0; vector tmp_str_vec; ifstream fin; fin.open(filename.c_str()); if (infmt_opt==0||infmt_opt==-1) // PDB format { while (fin.good()) { getline(fin, line); if (infmt_opt==-1 && line.compare(0,5,"loop_")==0) // PDBx/mmCIF return get_PDB_lines(filename,PDB_lines,chainID_list, mol_vec, ter_opt, 3, atom_opt, split_opt,het_opt); if (i > 0) { if (ter_opt>=1 && line.compare(0,3,"END")==0) break; else if (ter_opt>=3 && line.compare(0,3,"TER")==0) break; } if (split_opt && line.compare(0,3,"END")==0) chainID=0; if ((line.compare(0, 6, "ATOM ")==0 || (line.compare(0, 6, "HETATM")==0 && het_opt)) && line.size()>=54 && (line[16]==' ' || line[16]=='A')) { if (atom_opt=="auto") select_atom=(line.compare(12,4," CA ")==0); else select_atom=(line.compare(12,4,atom_opt)==0); if (select_atom) { if (!chainID) { chainID=line[21]; model_idx++; stringstream i8_stream; i=0; if (split_opt==2) // split by chain { if (chainID==' ') { if (ter_opt>=1) i8_stream << ":_"; else i8_stream<<':'<=1) i8_stream << ':' << chainID; else i8_stream<<':'<=2 && chainID!=line[21]) break; if (split_opt==2 && chainID!=line[21]) { chainID=line[21]; i=0; stringstream i8_stream; if (chainID==' ') { if (ter_opt>=1) i8_stream << ":_"; else i8_stream<<':'<=1) i8_stream << ':' << chainID; else i8_stream<<':'<>L>>x>>y>>z; getline(fin, line); if (!fin.good()) break; model_idx++; stringstream i8_stream; i8_stream << ':' << model_idx; chainID_list.push_back(i8_stream.str()); PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); for (i=0;i>x>>y>>z; i8_stream<<"ATOM "<='a' && line[0]<='z') mol_vec.back()++; // RNA else mol_vec.back()--; } } } else if (infmt_opt==3) // PDBx/mmCIF format { bool loop_ = false; // not reading following content map _atom_site; int atom_site_pos; vector line_vec; string alt_id="."; // alternative location indicator string asym_id="."; // this is similar to chainID, except that // chainID is char while asym_id is a string // with possibly multiple char string prev_asym_id=""; string AA=""; // residue name string atom=""; string prev_resi=""; string model_index=""; // the same as model_idx but type is string stringstream i8_stream; while (fin.good()) { getline(fin, line); if (line.size()==0) continue; if (loop_) loop_ = (line.size()>=2)?(line.compare(0,2,"# ")):(line.compare(0,1,"#")); if (!loop_) { if (line.compare(0,5,"loop_")) continue; while(1) { if (fin.good()) getline(fin, line); else PrintErrorAndQuit("ERROR! Unexpected end of "+filename); if (line.size()) break; } if (line.compare(0,11,"_atom_site.")) continue; loop_=true; _atom_site.clear(); atom_site_pos=0; _atom_site[Trim(line.substr(11))]=atom_site_pos; while(1) { if (fin.good()) getline(fin, line); else PrintErrorAndQuit("ERROR! Unexpected end of "+filename); if (line.size()==0) continue; if (line.compare(0,11,"_atom_site.")) break; _atom_site[Trim(line.substr(11))]=++atom_site_pos; } if (_atom_site.count("group_PDB")* _atom_site.count("label_atom_id")* _atom_site.count("label_comp_id")* (_atom_site.count("auth_asym_id")+ _atom_site.count("label_asym_id"))* (_atom_site.count("auth_seq_id")+ _atom_site.count("label_seq_id"))* _atom_site.count("Cartn_x")* _atom_site.count("Cartn_y")* _atom_site.count("Cartn_z")==0) { loop_ = false; cerr<<"Warning! Missing one of the following _atom_site data items: group_PDB, label_atom_id, label_atom_id, auth_asym_id/label_asym_id, auth_seq_id/label_seq_id, Cartn_x, Cartn_y, Cartn_z"<=5) continue; AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) continue; if (atom_opt=="auto") select_atom=(atom==" CA "); else select_atom=(atom==atom_opt); if (!select_atom) continue; if (_atom_site.count("auth_asym_id")) asym_id=line_vec[_atom_site["auth_asym_id"]]; else asym_id=line_vec[_atom_site["label_asym_id"]]; if (asym_id==".") asym_id=" "; if (_atom_site.count("pdbx_PDB_model_num") && model_index!=line_vec[_atom_site["pdbx_PDB_model_num"]]) { model_index=line_vec[_atom_site["pdbx_PDB_model_num"]]; if (PDB_lines.size() && ter_opt>=1) break; if (PDB_lines.size()==0 || split_opt>=1) { PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); prev_asym_id=asym_id; if (split_opt==1 && ter_opt==0) chainID_list.push_back( ':'+model_index); else if (split_opt==2 && ter_opt==0) chainID_list.push_back(':'+model_index+':'+asym_id); else if (split_opt==2 && ter_opt==1) chainID_list.push_back(':'+asym_id); } } if (prev_asym_id!=asym_id) { if (prev_asym_id!="" && ter_opt>=2) break; if (split_opt>=2) { PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); if (split_opt==1 && ter_opt==0) chainID_list.push_back( ':'+model_index); else if (split_opt==2 && ter_opt==0) chainID_list.push_back(':'+model_index+':'+asym_id); else if (split_opt==2 && ter_opt==1) chainID_list.push_back(':'+asym_id); } } if (prev_asym_id!=asym_id) prev_asym_id=asym_id; if (AA[0]==' ' && (AA[1]=='D'||AA[1]==' ')) mol_vec.back()++; else mol_vec.back()--; if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") resi+=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; else resi+=" "; if (prev_resi==resi) cerr<<"Warning! Duplicated residue "<=1, only read the first sequence. * if ter_opt ==0, read all sequences. * if split_opt >=1 and ter_opt ==0, each sequence is a separate entry. * if split_opt ==0 and ter_opt ==0, all sequences are combined into one */ size_t get_FASTA_lines(const string filename, vector >&FASTA_lines, vector &chainID_list, vector &mol_vec, const int ter_opt=3, const int split_opt=0) { string line; vector tmp_str_vec; int l; ifstream fin; fin.open(filename.c_str()); while (fin.good()) { getline(fin, line); if (line.size()==0 || line[0]=='#') continue; if (line[0]=='>') { if (FASTA_lines.size()) { if (ter_opt) break; if (split_opt==0) continue; } FASTA_lines.push_back(tmp_str_vec); FASTA_lines.back().push_back(""); mol_vec.push_back(0); if (ter_opt==0 && split_opt) { line[0]=':'; chainID_list.push_back(line); } else chainID_list.push_back(""); } else { FASTA_lines.back()[0]+=line; for (l=0;l &sequence, char *seqx, char *seqy, const vector resi_vec1, const vector resi_vec2, const int byresi_opt) { sequence.clear(); sequence.push_back(""); sequence.push_back(""); int i1=0; // positions in resi_vec1 int i2=0; // positions in resi_vec2 int xlen=resi_vec1.size(); int ylen=resi_vec2.size(); map chainID_map1; map chainID_map2; if (byresi_opt==3) { vector chainID_vec; char chainID; int i; for (i=0;i &PDB_lines, double **a, char *seq, vector &resi_vec, const int byresi_opt) { int i; for (i=0;i=2) resi_vec.push_back(PDB_lines[i].substr(22,5)+ PDB_lines[i][21]); if (byresi_opt==1) resi_vec.push_back(PDB_lines[i].substr(22,5)); } seq[i]='\0'; return i; } double dist(double x[3], double y[3]) { double d1=x[0]-y[0]; double d2=x[1]-y[1]; double d3=x[2]-y[2]; return (d1*d1 + d2*d2 + d3*d3); } double dot(double *a, double *b) { return (a[0] * b[0] + a[1] * b[1] + a[2] * b[2]); } void transform(double t[3], double u[3][3], double *x, double *x1) { x1[0]=t[0]+dot(&u[0][0], x); x1[1]=t[1]+dot(&u[1][0], x); x1[2]=t[2]+dot(&u[2][0], x); } void do_rotation(double **x, double **x1, int len, double t[3], double u[3][3]) { for(int i=0; i&sequence, const string &fname_lign, const int i_opt) { if (fname_lign == "") PrintErrorAndQuit("Please provide a file name for option -i!"); // open alignment file int n_p = 0;// number of structures in alignment file string line; ifstream fileIn(fname_lign.c_str()); if (fileIn.is_open()) { while (fileIn.good()) { getline(fileIn, line); if (line.compare(0, 1, ">") == 0)// Flag for a new structure { if (n_p >= 2) break; sequence.push_back(""); n_p++; } else if (n_p > 0 && line!="") sequence.back()+=line; } fileIn.close(); } else PrintErrorAndQuit("ERROR! Alignment file does not exist."); if (n_p < 2) PrintErrorAndQuit("ERROR: Fasta format is wrong, two proteins should be included."); if (sequence[0].size() != sequence[1].size()) PrintErrorAndQuit("ERROR! FASTA file is wrong. The length in alignment should be equal for the two aligned proteins."); if (i_opt==3) { int aligned_resNum=0; for (int i=0;i&chain_list, const string &name, const string &dir_opt, const string &suffix_opt) { ifstream fp(name.c_str()); if (! fp.is_open()) PrintErrorAndQuit(("Can not open file: "+name+'\n').c_str()); string line; while (fp.good()) { getline(fp, line); if (! line.size()) continue; chain_list.push_back(dir_opt+Trim(line)+suffix_opt); } fp.close(); line.clear(); } /************************************************************************** Implemetation of Kabsch algoritm for finding the best rotation matrix --------------------------------------------------------------------------- x - x(i,m) are coordinates of atom m in set x (input) y - y(i,m) are coordinates of atom m in set y (input) n - n is number of atom pairs (input) mode - 0:calculate rms only (input) 1:calculate u,t only (takes medium) 2:calculate rms,u,t (takes longer) rms - sum of w*(ux+t-y)**2 over all atom pairs (output) u - u(i,j) is rotation matrix for best superposition (output) t - t(i) is translation vector for best superposition (output) **************************************************************************/ bool Kabsch(double **x, double **y, int n, int mode, double *rms, double t[3], double u[3][3]) { int i, j, m, m1, l, k; double e0, rms1, d, h, g; double cth, sth, sqrth, p, det, sigma; double xc[3], yc[3]; double a[3][3], b[3][3], r[3][3], e[3], rr[6], ss[6]; double sqrt3 = 1.73205080756888, tol = 0.01; int ip[] = { 0, 1, 3, 1, 2, 4, 3, 4, 5 }; int ip2312[] = { 1, 2, 0, 1 }; int a_failed = 0, b_failed = 0; double epsilon = 0.00000001; //initializtation *rms = 0; rms1 = 0; e0 = 0; double c1[3], c2[3]; double s1[3], s2[3]; double sx[3], sy[3], sz[3]; for (i = 0; i < 3; i++) { s1[i] = 0.0; s2[i] = 0.0; sx[i] = 0.0; sy[i] = 0.0; sz[i] = 0.0; } for (i = 0; i<3; i++) { xc[i] = 0.0; yc[i] = 0.0; t[i] = 0.0; for (j = 0; j<3; j++) { u[i][j] = 0.0; r[i][j] = 0.0; a[i][j] = 0.0; if (i == j) { u[i][j] = 1.0; a[i][j] = 1.0; } } } if (n<1) return false; //compute centers for vector sets x, y for (i = 0; i0) { d = spur*spur; h = d - cof; g = (spur*cof - det) / 2.0 - spur*h; if (h>0) { sqrth = sqrt(h); d = h*h*h - g*g; if (d<0.0) d = 0.0; d = atan2(sqrt(d), -g) / 3.0; cth = sqrth * cos(d); sth = sqrth*sqrt3*sin(d); e[0] = (spur + cth) + cth; e[1] = (spur - cth) + sth; e[2] = (spur - cth) - sth; if (mode != 0) {//compute a for (l = 0; l<3; l = l + 2) { d = e[l]; ss[0] = (d - rr[2]) * (d - rr[5]) - rr[4] * rr[4]; ss[1] = (d - rr[5]) * rr[1] + rr[3] * rr[4]; ss[2] = (d - rr[0]) * (d - rr[5]) - rr[3] * rr[3]; ss[3] = (d - rr[2]) * rr[3] + rr[1] * rr[4]; ss[4] = (d - rr[0]) * rr[4] + rr[1] * rr[3]; ss[5] = (d - rr[0]) * (d - rr[2]) - rr[1] * rr[1]; if (fabs(ss[0]) <= epsilon) ss[0] = 0.0; if (fabs(ss[1]) <= epsilon) ss[1] = 0.0; if (fabs(ss[2]) <= epsilon) ss[2] = 0.0; if (fabs(ss[3]) <= epsilon) ss[3] = 0.0; if (fabs(ss[4]) <= epsilon) ss[4] = 0.0; if (fabs(ss[5]) <= epsilon) ss[5] = 0.0; if (fabs(ss[0]) >= fabs(ss[2])) { j = 0; if (fabs(ss[0]) < fabs(ss[5])) j = 2; } else if (fabs(ss[2]) >= fabs(ss[5])) j = 1; else j = 2; d = 0.0; j = 3 * j; for (i = 0; i<3; i++) { k = ip[i + j]; a[i][l] = ss[k]; d = d + ss[k] * ss[k]; } //if( d > 0.0 ) d = 1.0 / sqrt(d); if (d > epsilon) d = 1.0 / sqrt(d); else d = 0.0; for (i = 0; i<3; i++) a[i][l] = a[i][l] * d; }//for l d = a[0][0] * a[0][2] + a[1][0] * a[1][2] + a[2][0] * a[2][2]; if ((e[0] - e[1]) >(e[1] - e[2])) { m1 = 2; m = 0; } else { m1 = 0; m = 2; } p = 0; for (i = 0; i<3; i++) { a[i][m1] = a[i][m1] - d*a[i][m]; p = p + a[i][m1] * a[i][m1]; } if (p <= tol) { p = 1.0; for (i = 0; i<3; i++) { if (p < fabs(a[i][m])) continue; p = fabs(a[i][m]); j = i; } k = ip2312[j]; l = ip2312[j + 1]; p = sqrt(a[k][m] * a[k][m] + a[l][m] * a[l][m]); if (p > tol) { a[j][m1] = 0.0; a[k][m1] = -a[l][m] / p; a[l][m1] = a[k][m] / p; } else a_failed = 1; }//if p<=tol else { p = 1.0 / sqrt(p); for (i = 0; i<3; i++) a[i][m1] = a[i][m1] * p; }//else p<=tol if (a_failed != 1) { a[0][1] = a[1][2] * a[2][0] - a[1][0] * a[2][2]; a[1][1] = a[2][2] * a[0][0] - a[2][0] * a[0][2]; a[2][1] = a[0][2] * a[1][0] - a[0][0] * a[1][2]; } }//if(mode!=0) }//h>0 //compute b anyway if (mode != 0 && a_failed != 1)//a is computed correctly { //compute b for (l = 0; l<2; l++) { d = 0.0; for (i = 0; i<3; i++) { b[i][l] = r[i][0] * a[0][l] + r[i][1] * a[1][l] + r[i][2] * a[2][l]; d = d + b[i][l] * b[i][l]; } //if( d > 0 ) d = 1.0 / sqrt(d); if (d > epsilon) d = 1.0 / sqrt(d); else d = 0.0; for (i = 0; i<3; i++) b[i][l] = b[i][l] * d; } d = b[0][0] * b[0][1] + b[1][0] * b[1][1] + b[2][0] * b[2][1]; p = 0.0; for (i = 0; i<3; i++) { b[i][1] = b[i][1] - d*b[i][0]; p += b[i][1] * b[i][1]; } if (p <= tol) { p = 1.0; for (i = 0; i<3; i++) { if (p tol) { b[j][1] = 0.0; b[k][1] = -b[l][0] / p; b[l][1] = b[k][0] / p; } else b_failed = 1; }//if( p <= tol ) else { p = 1.0 / sqrt(p); for (i = 0; i<3; i++) b[i][1] = b[i][1] * p; } if (b_failed != 1) { b[0][2] = b[1][0] * b[2][1] - b[1][1] * b[2][0]; b[1][2] = b[2][0] * b[0][1] - b[2][1] * b[0][0]; b[2][2] = b[0][0] * b[1][1] - b[0][1] * b[1][0]; //compute u for (i = 0; i<3; i++) for (j = 0; j<3; j++) u[i][j] = b[i][0] * a[j][0] + b[i][1] * a[j][1] + b[i][2] * a[j][2]; } //compute t for (i = 0; i<3; i++) t[i] = ((yc[i] - u[i][0] * xc[0]) - u[i][1] * xc[1]) - u[i][2] * xc[2]; }//if(mode!=0 && a_failed!=1) }//spur>0 else //just compute t and errors { //compute t for (i = 0; i<3; i++) t[i] = ((yc[i] - u[i][0] * xc[0]) - u[i][1] * xc[1]) - u[i][2] * xc[2]; }//else spur>0 //compute rms for (i = 0; i<3; i++) { if (e[i] < 0) e[i] = 0; e[i] = sqrt(e[i]); } d = e[2]; if (sigma < 0.0) d = -d; d = (d + e[1]) + e[0]; if (mode == 2 || mode == 0) { rms1 = (e0 - d) - d; if (rms1 < 0.0) rms1 = 0.0; } *rms = rms1; return true; } /* Partial implementation of Needleman-Wunsch (NW) dymanamic programming for * global alignment. The three NWDP_TM functions below are not complete * implementation of NW algorithm because gap jumping in the standard Gotoh * algorithm is not considered. Since the gap opening and gap extension is * the same, this is not a problem. This code was exploited in TM-align * because it is about 1.5 times faster than a complete NW implementation. * Nevertheless, if gap openning != gap extension shall be implemented in * the future, the Gotoh algorithm must be implemented. In rare scenarios, * it is also possible to have asymmetric alignment (i.e. * TMalign A.pdb B.pdb and TMalign B.pdb A.pdb have different TM_A and TM_B * values) caused by the NWPD_TM implement. */ /* Input: score[1:len1, 1:len2], and gap_open * Output: j2i[1:len2] \in {1:len1} U {-1} * path[0:len1, 0:len2]=1,2,3, from diagonal, horizontal, vertical */ void NWDP_TM(double **score, bool **path, double **val, int len1, int len2, double gap_open, int j2i[]) { int i, j; double h, v, d; //initialization for(i=0; i<=len1; i++) { val[i][0]=0; //val[i][0]=i*gap_open; path[i][0]=false; //not from diagonal } for(j=0; j<=len2; j++) { val[0][j]=0; //val[0][j]=j*gap_open; path[0][j]=false; //not from diagonal j2i[j]=-1; //all are not aligned, only use j2i[1:len2] } //decide matrix and path for(i=1; i<=len1; i++) { for(j=1; j<=len2; j++) { d=val[i-1][j-1]+score[i][j]; //diagonal //symbol insertion in horizontal (= a gap in vertical) h=val[i-1][j]; if(path[i-1][j]) h += gap_open; //aligned in last position //symbol insertion in vertical v=val[i][j-1]; if(path[i][j-1]) v += gap_open; //aligned in last position if(d>=h && d>=v) { path[i][j]=true; //from diagonal val[i][j]=d; } else { path[i][j]=false; //from horizontal if(v>=h) val[i][j]=v; else val[i][j]=h; } } //for i } //for j //trace back to extract the alignment i=len1; j=len2; while(i>0 && j>0) { if(path[i][j]) //from diagonal { j2i[j-1]=i-1; i--; j--; } else { h=val[i-1][j]; if(path[i-1][j]) h +=gap_open; v=val[i][j-1]; if(path[i][j-1]) v +=gap_open; if(v>=h) j--; else i--; } } } /* Input: vectors x, y, rotation matrix t, u, scale factor d02, and gap_open * Output: j2i[1:len2] \in {1:len1} U {-1} * path[0:len1, 0:len2]=1,2,3, from diagonal, horizontal, vertical */ void NWDP_TM(bool **path, double **val, double **x, double **y, int len1, int len2, double t[3], double u[3][3], double d02, double gap_open, int j2i[]) { int i, j; double h, v, d; //initialization. use old val[i][0] and val[0][j] initialization //to minimize difference from TMalign fortran version for(i=0; i<=len1; i++) { val[i][0]=0; //val[i][0]=i*gap_open; path[i][0]=false; //not from diagonal } for(j=0; j<=len2; j++) { val[0][j]=0; //val[0][j]=j*gap_open; path[0][j]=false; //not from diagonal j2i[j]=-1; //all are not aligned, only use j2i[1:len2] } double xx[3], dij; //decide matrix and path for(i=1; i<=len1; i++) { transform(t, u, &x[i-1][0], xx); for(j=1; j<=len2; j++) { dij=dist(xx, &y[j-1][0]); d=val[i-1][j-1] + 1.0/(1+dij/d02); //symbol insertion in horizontal (= a gap in vertical) h=val[i-1][j]; if(path[i-1][j]) h += gap_open; //aligned in last position //symbol insertion in vertical v=val[i][j-1]; if(path[i][j-1]) v += gap_open; //aligned in last position if(d>=h && d>=v) { path[i][j]=true; //from diagonal val[i][j]=d; } else { path[i][j]=false; //from horizontal if(v>=h) val[i][j]=v; else val[i][j]=h; } } //for i } //for j //trace back to extract the alignment i=len1; j=len2; while(i>0 && j>0) { if(path[i][j]) //from diagonal { j2i[j-1]=i-1; i--; j--; } else { h=val[i-1][j]; if(path[i-1][j]) h +=gap_open; v=val[i][j-1]; if(path[i][j-1]) v +=gap_open; if(v>=h) j--; else i--; } } } /* This is the same as the previous NWDP_TM, except for the lack of rotation * Input: vectors x, y, scale factor d02, and gap_open * Output: j2i[1:len2] \in {1:len1} U {-1} * path[0:len1, 0:len2]=1,2,3, from diagonal, horizontal, vertical */ void NWDP_SE(bool **path, double **val, double **x, double **y, int len1, int len2, double d02, double gap_open, int j2i[]) { int i, j; double h, v, d; for(i=0; i<=len1; i++) { val[i][0]=0; path[i][0]=false; //not from diagonal } for(j=0; j<=len2; j++) { val[0][j]=0; path[0][j]=false; //not from diagonal j2i[j]=-1; //all are not aligned, only use j2i[1:len2] } double dij; //decide matrix and path for(i=1; i<=len1; i++) { for(j=1; j<=len2; j++) { dij=dist(&x[i-1][0], &y[j-1][0]); d=val[i-1][j-1] + 1.0/(1+dij/d02); //symbol insertion in horizontal (= a gap in vertical) h=val[i-1][j]; if(path[i-1][j]) h += gap_open; //aligned in last position //symbol insertion in vertical v=val[i][j-1]; if(path[i][j-1]) v += gap_open; //aligned in last position if(d>=h && d>=v) { path[i][j]=true; //from diagonal val[i][j]=d; } else { path[i][j]=false; //from horizontal if(v>=h) val[i][j]=v; else val[i][j]=h; } } //for i } //for j //trace back to extract the alignment i=len1; j=len2; while(i>0 && j>0) { if(path[i][j]) //from diagonal { j2i[j-1]=i-1; i--; j--; } else { h=val[i-1][j]; if(path[i-1][j]) h +=gap_open; v=val[i][j-1]; if(path[i][j-1]) v +=gap_open; if(v>=h) j--; else i--; } } } /* +ss * Input: secondary structure secx, secy, and gap_open * Output: j2i[1:len2] \in {1:len1} U {-1} * path[0:len1, 0:len2]=1,2,3, from diagonal, horizontal, vertical */ void NWDP_TM(bool **path, double **val, const char *secx, const char *secy, const int len1, const int len2, const double gap_open, int j2i[]) { int i, j; double h, v, d; //initialization for(i=0; i<=len1; i++) { val[i][0]=0; //val[i][0]=i*gap_open; path[i][0]=false; //not from diagonal } for(j=0; j<=len2; j++) { val[0][j]=0; //val[0][j]=j*gap_open; path[0][j]=false; //not from diagonal j2i[j]=-1; //all are not aligned, only use j2i[1:len2] } //decide matrix and path for(i=1; i<=len1; i++) { for(j=1; j<=len2; j++) { d=val[i-1][j-1] + 1.0*(secx[i-1]==secy[j-1]); //symbol insertion in horizontal (= a gap in vertical) h=val[i-1][j]; if(path[i-1][j]) h += gap_open; //aligned in last position //symbol insertion in vertical v=val[i][j-1]; if(path[i][j-1]) v += gap_open; //aligned in last position if(d>=h && d>=v) { path[i][j]=true; //from diagonal val[i][j]=d; } else { path[i][j]=false; //from horizontal if(v>=h) val[i][j]=v; else val[i][j]=h; } } //for i } //for j //trace back to extract the alignment i=len1; j=len2; while(i>0 && j>0) { if(path[i][j]) //from diagonal { j2i[j-1]=i-1; i--; j--; } else { h=val[i-1][j]; if(path[i-1][j]) h +=gap_open; v=val[i][j-1]; if(path[i][j-1]) v +=gap_open; if(v>=h) j--; else i--; } } } void parameter_set4search(const int xlen, const int ylen, double &D0_MIN, double &Lnorm, double &score_d8, double &d0, double &d0_search, double &dcu0) { //parameter initilization for searching: D0_MIN, Lnorm, d0, d0_search, score_d8 D0_MIN=0.5; dcu0=4.25; //update 3.85-->4.25 Lnorm=getmin(xlen, ylen); //normaliz TMscore by this in searching if (Lnorm<=19) //update 15-->19 d0=0.168; //update 0.5-->0.168 else d0=(1.24*pow((Lnorm*1.0-15), 1.0/3)-1.8); D0_MIN=d0+0.8; //this should be moved to above d0=D0_MIN; //update: best for search d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; score_d8=1.5*pow(Lnorm*1.0, 0.3)+3.5; //remove pairs with dis>d8 during search & final } void parameter_set4final_C3prime(const double len, double &D0_MIN, double &Lnorm, double &d0, double &d0_search) { D0_MIN=0.3; Lnorm=len; //normaliz TMscore by this in searching if(Lnorm<=11) d0=0.3; else if(Lnorm>11&&Lnorm<=15) d0=0.4; else if(Lnorm>15&&Lnorm<=19) d0=0.5; else if(Lnorm>19&&Lnorm<=23) d0=0.6; else if(Lnorm>23&&Lnorm<30) d0=0.7; else d0=(0.6*pow((Lnorm*1.0-0.5), 1.0/2)-2.5); d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; } void parameter_set4final(const double len, double &D0_MIN, double &Lnorm, double &d0, double &d0_search, const int mol_type) { if (mol_type>0) // RNA { parameter_set4final_C3prime(len, D0_MIN, Lnorm, d0, d0_search); return; } D0_MIN=0.5; Lnorm=len; //normaliz TMscore by this in searching if (Lnorm<=21) d0=0.5; else d0=(1.24*pow((Lnorm*1.0-15), 1.0/3)-1.8); if (d08) d0_search=8; if (d0_search<4.5) d0_search=4.5; } void parameter_set4scale(const int len, const double d_s, double &Lnorm, double &d0, double &d0_search) { d0=d_s; Lnorm=len; //normaliz TMscore by this in searching d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; } // 1, collect those residues with dis3) { inc++; double dinc=(d+inc*0.5); d_tmp = dinc * dinc; } else break; } *score1=score_sum/Lnorm; return n_cut; } int score_fun8_standard(double **xa, double **ya, int n_ali, double d, int i_ali[], double *score1, int score_sum_method, double score_d8, double d0) { double score_sum = 0, di; double d_tmp = d*d; double d02 = d0*d0; double score_d8_cut = score_d8*score_d8; int i, n_cut, inc = 0; while (1) { n_cut = 0; score_sum = 0; for (i = 0; i3) { inc++; double dinc = (d + inc*0.5); d_tmp = dinc * dinc; } else break; } *score1 = score_sum / n_ali; return n_cut; } double TMscore8_search(double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double Lnorm, double score_d8, double d0) { int i, m; double score_max, score, rmsd; const int kmax=Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it=20; //maximum number of iterations int n_init_max=6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min=4; if(Laliscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } //try to extend the alignment iteratively d = local_d0_search + 1; for(int it=0; itscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } //check if it converges if(n_cut==ka) { for(k=0; kiL_max) i=iL_max; //do this to use the last missed fragment } else if(i>=iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } double TMscore8_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double score_d8, double d0) { int i, m; double score_max, score, rmsd; const int kmax = Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it = 20; //maximum number of iterations int n_init_max = 6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min = 4; if (Laliscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } //try to extend the alignment iteratively d = local_d0_search + 1; for (int it = 0; itscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } //check if it converges if (n_cut == ka) { for (k = 0; kiL_max) i = iL_max; //do this to use the last missed fragment } else if (i >= iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } //Comprehensive TMscore search engine // input: two vector sets: x, y // an alignment invmap0[] between x and y // simplify_step: 1 or 40 or other integers // score_sum_method: 0 for score over all pairs // 8 for socre over the pairs with dist=0) //aligned { xtm[k][0]=x[j][0]; xtm[k][1]=x[j][1]; xtm[k][2]=x[j][2]; ytm[k][0]=y[i][0]; ytm[k][1]=y[i][1]; ytm[k][2]=y[i][2]; k++; } } //detailed search 40-->1 tmscore = TMscore8_search(r1, r2, xtm, ytm, xt, k, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); return tmscore; } double detailed_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, double **x, double **y, int xlen, int ylen, int invmap0[], double t[3], double u[3][3], int simplify_step, int score_sum_method, double local_d0_search, const bool& bNormalize, double Lnorm, double score_d8, double d0) { //x is model, y is template, try to superpose onto y int i, j, k; double tmscore; double rmsd; k=0; for(i=0; i=0) //aligned { xtm[k][0]=x[j][0]; xtm[k][1]=x[j][1]; xtm[k][2]=x[j][2]; ytm[k][0]=y[i][0]; ytm[k][1]=y[i][1]; ytm[k][2]=y[i][2]; k++; } } //detailed search 40-->1 tmscore = TMscore8_search_standard( r1, r2, xtm, ytm, xt, k, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, score_d8, d0); if (bNormalize)// "-i", to use standard_TMscore, then bNormalize=true, else bNormalize=false; tmscore = tmscore * k / Lnorm; return tmscore; } //compute the score quickly in three iterations double get_score_fast( double **r1, double **r2, double **xtm, double **ytm, double **x, double **y, int xlen, int ylen, int invmap[], double d0, double d0_search, double t[3], double u[3][3]) { double rms, tmscore, tmscore1, tmscore2; int i, j, k; k=0; for(j=0; j=0) { r1[k][0]=x[i][0]; r1[k][1]=x[i][1]; r1[k][2]=x[i][2]; r2[k][0]=y[j][0]; r2[k][1]=y[j][1]; r2[k][2]=y[j][2]; xtm[k][0]=x[i][0]; xtm[k][1]=x[i][1]; xtm[k][2]=x[i][2]; ytm[k][0]=y[j][0]; ytm[k][1]=y[j][1]; ytm[k][2]=y[j][2]; k++; } else if(i!=-1) PrintErrorAndQuit("Wrong map!\n"); } Kabsch(r1, r2, k, 1, &rms, t, u); //evaluate score double di; const int len=k; double dis[len]; double d00=d0_search; double d002=d00*d00; double d02=d0*d0; int n_ali=k; double xrot[3]; tmscore=0; for(k=0; k3) d002t += 0.5; else break; } if(n_ali!=j) { Kabsch(r1, r2, j, 1, &rms, t, u); tmscore1=0; for(k=0; k3) d002t += 0.5; else break; } //evaluate the score Kabsch(r1, r2, j, 1, &rms, t, u); tmscore2=0; for(k=0; k=tmscore) tmscore=tmscore1; if(tmscore2>=tmscore) tmscore=tmscore2; return tmscore; // no need to normalize this score because it will not be used for latter scoring } //perform gapless threading to find the best initial alignment //input: x, y, xlen, ylen //output: y2x0 stores the best alignment: e.g., //y2x0[j]=i means: //the jth element in y is aligned to the ith element in x if i>=0 //the jth element in y is aligned to a gap in x if i==-1 double get_initial(double **r1, double **r2, double **xtm, double **ytm, double **x, double **y, int xlen, int ylen, int *y2x, double d0, double d0_search, const bool fast_opt, double t[3], double u[3][3]) { int min_len=getmin(xlen, ylen); if(min_len<3) PrintErrorAndQuit("Sequence is too short <3!\n"); int min_ali= min_len/2; //minimum size of considered fragment if(min_ali<=5) min_ali=5; int n1, n2; n1 = -ylen+min_ali; n2 = xlen-min_ali; int i, j, k, k_best; double tmscore, tmscore_max=-1; k_best=n1; for(k=n1; k<=n2; k+=(fast_opt)?5:1) { //get the map for(j=0; j=0 && i=tmscore_max) { tmscore_max=tmscore; k_best=k; } } //extract the best map k=k_best; for(j=0; j=0 && i ----- for (i=2; i ------ for (i=0; icoil, 2->helix, 3->turn, 4->strand */ void make_sec(double **x, int len, char *sec) { int j1, j2, j3, j4, j5; double d13, d14, d15, d24, d25, d35; for(int i=0; i=0 && j5=0 //the jth element in y is aligned to a gap in x if i==-1 void get_initial_ss(bool **path, double **val, const char *secx, const char *secy, int xlen, int ylen, int *y2x) { double gap_open=-1.0; NWDP_TM(path, val, secx, secy, xlen, ylen, gap_open, y2x); } // get_initial5 in TMalign fortran, get_initial_local in TMalign c by yangji //get initial alignment of local structure superposition //input: x, y, xlen, ylen //output: y2x stores the best alignment: e.g., //y2x[j]=i means: //the jth element in y is aligned to the ith element in x if i>=0 //the jth element in y is aligned to a gap in x if i==-1 bool get_initial5( double **r1, double **r2, double **xtm, double **ytm, bool **path, double **val, double **x, double **y, int xlen, int ylen, int *y2x, double d0, double d0_search, const bool fast_opt, const double D0_MIN) { double GL, rmsd; double t[3]; double u[3][3]; double d01 = d0 + 1.5; if (d01 < D0_MIN) d01 = D0_MIN; double d02 = d01*d01; double GLmax = 0; int aL = getmin(xlen, ylen); int *invmap = new int[ylen + 1]; // jump on sequence1--------------> int n_jump1 = 0; if (xlen > 250) n_jump1 = 45; else if (xlen > 200) n_jump1 = 35; else if (xlen > 150) n_jump1 = 25; else n_jump1 = 15; if (n_jump1 > (xlen / 3)) n_jump1 = xlen / 3; // jump on sequence2--------------> int n_jump2 = 0; if (ylen > 250) n_jump2 = 45; else if (ylen > 200) n_jump2 = 35; else if (ylen > 150) n_jump2 = 25; else n_jump2 = 15; if (n_jump2 > (ylen / 3)) n_jump2 = ylen / 3; // fragment to superimpose--------------> int n_frag[2] = { 20, 100 }; if (n_frag[0] > (aL / 3)) n_frag[0] = aL / 3; if (n_frag[1] > (aL / 2)) n_frag[1] = aL / 2; // start superimpose search--------------> if (fast_opt) { n_jump1*=5; n_jump2*=5; } bool flag = false; for (int i_frag = 0; i_frag < 2; i_frag++) { int m1 = xlen - n_frag[i_frag] + 1; int m2 = ylen - n_frag[i_frag] + 1; for (int i = 0; iGLmax) { GLmax = GL; for (int ii = 0; ii=0) { r1[k][0]=x[i][0]; r1[k][1]=x[i][1]; r1[k][2]=x[i][2]; r2[k][0]=y[j][0]; r2[k][1]=y[j][1]; r2[k][2]=y[j][2]; k++; } } Kabsch(r1, r2, k, 1, &rmsd, t, u); for(int ii=0; ii=0 //the jth element in y is aligned to a gap in x if i==-1 void get_initial_ssplus(double **r1, double **r2, double **score, bool **path, double **val, const char *secx, const char *secy, double **x, double **y, int xlen, int ylen, int *y2x0, int *y2x, const double D0_MIN, double d0) { //create score matrix for DP score_matrix_rmsd_sec(r1, r2, score, secx, secy, x, y, xlen, ylen, y2x0, D0_MIN,d0); double gap_open=-1.0; NWDP_TM(score, path, val, xlen, ylen, gap_open, y2x); } void find_max_frag(double **x, int len, int *start_max, int *end_max, double dcu0, const bool fast_opt) { int r_min, fra_min=4; //minimum fragment for search if (fast_opt) fra_min=8; int start; int Lfr_max=0; r_min= (int) (len*1.0/3.0); //minimum fragment, in case too small protein if(r_min > fra_min) r_min=fra_min; int inc=0; double dcu0_cut=dcu0*dcu0;; double dcu_cut=dcu0_cut; while(Lfr_max < r_min) { Lfr_max=0; int j=1; //number of residues at nf-fragment start=0; for(int i=1; i Lfr_max) { Lfr_max=j; *start_max=start; *end_max=i; } j=1; } } else { if(j>Lfr_max) { Lfr_max=j; *start_max=start; *end_max=i-1; } j=1; start=i; } }// for i; if(Lfr_max < r_min) { inc++; double dinc=pow(1.1, (double) inc) * dcu0; dcu_cut= dinc*dinc; } }//while <; } //perform fragment gapless threading to find the best initial alignment //input: x, y, xlen, ylen //output: y2x0 stores the best alignment: e.g., //y2x0[j]=i means: //the jth element in y is aligned to the ith element in x if i>=0 //the jth element in y is aligned to a gap in x if i==-1 double get_initial_fgt(double **r1, double **r2, double **xtm, double **ytm, double **x, double **y, int xlen, int ylen, int *y2x, double d0, double d0_search, double dcu0, const bool fast_opt, double t[3], double u[3][3]) { int fra_min=4; //minimum fragment for search if (fast_opt) fra_min=8; int fra_min1=fra_min-1; //cutoff for shift, save time int xstart=0, ystart=0, xend=0, yend=0; find_max_frag(x, xlen, &xstart, &xend, dcu0, fast_opt); find_max_frag(y, ylen, &ystart, ¥d, dcu0, fast_opt); int Lx = xend-xstart+1; int Ly = yend-ystart+1; int *ifr, *y2x_; int L_fr=getmin(Lx, Ly); ifr= new int[L_fr]; y2x_= new int[ylen+1]; //select what piece will be used. The original implement may cause //asymetry, but only when xlen==ylen and Lx==Ly //if L1=Lfr1 and L2=Lfr2 (normal proteins), it will be the same as initial1 if(LxLy || (Lx==Ly && xlen>ylen)) { for(int i=0; i=0 && i=tmscore_max) { tmscore_max=tmscore; for(j=0; j=0 && i=tmscore_max) { tmscore_max=tmscore; for(j=0; j=0 && i=tmscore_max) { tmscore_max=tmscore; for(j=0; j=0 && i=tmscore_max) { tmscore_max=tmscore; for(j=0; j=0) //aligned { xtm[k][0]=x[i][0]; xtm[k][1]=x[i][1]; xtm[k][2]=x[i][2]; ytm[k][0]=y[j][0]; ytm[k][1]=y[j][1]; ytm[k][2]=y[j][2]; k++; } } tmscore = TMscore8_search(r1, r2, xtm, ytm, xt, k, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); if(tmscore>tmscore_max) { tmscore_max=tmscore; for(i=0; i0) { if(fabs(tmscore_old-tmscore)<0.000001) break; } tmscore_old=tmscore; }// for iteration }//for gapopen delete []invmap; return tmscore_max; } void output_superpose(const string xname, const string yname, const string fname_super, double t[3], double u[3][3], const int ter_opt, const int mirror_opt, const char *seqM, const char *seqxA, const char *seqyA, const vector&resi_vec1, const vector&resi_vec2, const char *chainID1, const char *chainID2, const int xlen, const int ylen, const double d0A, const int n_ali8, const double rmsd, const double TM1, const double Liden) { stringstream buf; stringstream buf_all; stringstream buf_atm; stringstream buf_all_atm; stringstream buf_all_atm_lig; stringstream buf_pdb; stringstream buf_pymol; stringstream buf_tm; string line; double x[3]; // before transform double x1[3]; // after transform bool after_ter; // true if passed the "TER" line in PDB string asym_id; // chain ID buf_tm<<"REMARK TM-align" <<"\nREMARK Chain 1:"< _atom_site; int atom_site_pos; vector line_vec; string atom; // 4-character atom name string AA; // 3-character residue name string resi; // 4-character residue sequence number string inscode; // 1-character insertion code string model_index; // model index bool is_mmcif=false; int chain_num=0; /* used for CONECT record of chain1 */ int ca_idx1=0; // all CA atoms int lig_idx1=0; // all atoms vector idx_vec; /* used for CONECT record of chain2 */ int ca_idx2=0; // all CA atoms int lig_idx2=0; // all atoms /* extract aligned region */ vector resi_aln1; vector resi_aln2; int i1=-1; int i2=-1; int i; for (i=0;i=3 && line.compare(0,3,"TER")==0) after_ter=true; if (is_mmcif==false && line.size()>=54 && (line.compare(0, 6, "ATOM ")==0 || line.compare(0, 6, "HETATM")==0)) // PDB format { x[0]=atof(line.substr(30,8).c_str()); x[1]=atof(line.substr(38,8).c_str()); x[2]=atof(line.substr(46,8).c_str()); if (mirror_opt) x[2]=-x[2]; transform(t, u, x, x1); buf_pdb<=2) { if (ca_idx1 && asym_id.size() && asym_id!=line.substr(21,1)) { after_ter=true; continue; } asym_id=line[21]; } buf_all_atm<<"ATOM "<=5) atom=atom.substr(0,4); AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) AA=AA.substr(0,3); if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; while (resi.size()<4) resi=' '+resi; if (resi.size()>4) resi=resi.substr(0,4); inscode=' '; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") inscode=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; if (_atom_site.count("auth_asym_id")) { if (ter_opt>=2 && ca_idx1 && asym_id.size() && asym_id!=line_vec[_atom_site["auth_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["auth_asym_id"]]; } else if (_atom_site.count("label_asym_id")) { if (ter_opt>=2 && ca_idx1 && asym_id.size() && asym_id!=line_vec[_atom_site["label_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["label_asym_id"]]; } buf_pdb<=1 && line.compare(0,3,"END")==0) break; } } fin.close(); buf<<"TER\n"; buf_all<<"TER\n"; buf_atm<<"TER\n"; buf_all_atm<<"TER\n"; buf_all_atm_lig<<"TER\n"; for (i=1;i=3 && line.compare(0,3,"TER")==0) after_ter=true; if (line.size()>=54 && (line.compare(0, 6, "ATOM ")==0 || line.compare(0, 6, "HETATM")==0)) // PDB format { if (line[16]!='A' && line[16]!=' ') continue; if (after_ter && line.compare(0,6,"ATOM ")==0) continue; lig_idx2++; buf_all_atm_lig<=2) { if (ca_idx2 && asym_id.size() && asym_id!=line.substr(21,1)) { after_ter=true; continue; } asym_id=line[21]; } buf_all_atm<<"ATOM "<=5) atom=atom.substr(0,4); AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) AA=AA.substr(0,3); if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; while (resi.size()<4) resi=' '+resi; if (resi.size()>4) resi=resi.substr(0,4); inscode=' '; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") inscode=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; if (ter_opt>=2) { if (_atom_site.count("auth_asym_id")) { if (ca_idx2 && asym_id.size() && asym_id!=line_vec[_atom_site["auth_asym_id"]]) after_ter=true; else asym_id=line_vec[_atom_site["auth_asym_id"]]; } else if (_atom_site.count("label_asym_id")) { if (ca_idx2 && asym_id.size() && asym_id!=line_vec[_atom_site["label_asym_id"]]) after_ter=true; else asym_id=line_vec[_atom_site["label_asym_id"]]; } } if (after_ter==false || line_vec[_atom_site["group_PDB"]]=="HETATM") { lig_idx2++; buf_all_atm_lig<=1 && line.compare(0,3,"END")==0) break; } } fin.close(); buf<<"TER\n"; buf_all<<"TER\n"; buf_atm<<"TER\n"; buf_all_atm<<"TER\n"; buf_all_atm_lig<<"TER\n"; for (i=ca_idx1+1;i pml_list; pml_list.push_back(fname_super+""); pml_list.push_back(fname_super+"_atm"); pml_list.push_back(fname_super+"_all"); pml_list.push_back(fname_super+"_all_atm"); pml_list.push_back(fname_super+"_all_atm_lig"); for (i=0;i&resi_vec1, const vector&resi_vec2) { if (outfmt_opt<=0) { printf("\nName of Chain_1: %s%s (to be superimposed onto Chain_2)\n", xname.c_str(), chainID1); printf("Name of Chain_2: %s%s\n", yname.c_str(), chainID2); printf("Length of Chain_1: %d residues\n", xlen); printf("Length of Chain_2: %d residues\n\n", ylen); if (i_opt) printf("User-specified initial alignment: TM/Lali/rmsd = %7.5lf, %4d, %6.3lf\n", TM_ali, L_ali, rmsd_ali); printf("Aligned length= %d, RMSD= %6.2f, Seq_ID=n_identical/n_aligned= %4.3f\n", n_ali8, rmsd, (n_ali8>0)?Liden/n_ali8:0); printf("TM-score= %6.5f (if normalized by length of Chain_1, i.e., LN=%d, d0=%.2f)\n", TM2, xlen, d0B); printf("TM-score= %6.5f (if normalized by length of Chain_2, i.e., LN=%d, d0=%.2f)\n", TM1, ylen, d0A); if (a_opt==1) printf("TM-score= %6.5f (if normalized by average length of two structures, i.e., LN= %.1f, d0= %.2f)\n", TM3, (xlen+ylen)*0.5, d0a); if (u_opt) printf("TM-score= %6.5f (if normalized by user-specified LN=%.2f and d0=%.2f)\n", TM4, Lnorm_ass, d0u); if (d_opt) printf("TM-score= %6.5f (if scaled by user-specified d0= %.2f, and LN= %d)\n", TM5, d0_scale, ylen); printf("(You should use TM-score normalized by length of the reference structure)\n"); //output alignment printf("\n(\":\" denotes residue pairs of d < %4.1f Angstrom, ", d0_out); printf("\".\" denotes other aligned residues)\n"); printf("%s\n", seqxA); printf("%s\n", seqM); printf("%s\n", seqyA); } else if (outfmt_opt==1) { printf(">%s%s\tL=%d\td0=%.2f\tseqID=%.3f\tTM-score=%.5f\n", xname.c_str(), chainID1, xlen, d0B, Liden/xlen, TM2); printf("%s\n", seqxA); printf(">%s%s\tL=%d\td0=%.2f\tseqID=%.3f\tTM-score=%.5f\n", yname.c_str(), chainID2, ylen, d0A, Liden/ylen, TM1); printf("%s\n", seqyA); printf("# Lali=%d\tRMSD=%.2f\tseqID_ali=%.3f\n", n_ali8, rmsd, (n_ali8>0)?Liden/n_ali8:0); if (i_opt) printf("# User-specified initial alignment: TM=%.5lf\tLali=%4d\trmsd=%.3lf\n", TM_ali, L_ali, rmsd_ali); if(a_opt) printf("# TM-score=%.5f (normalized by average length of two structures: L=%.1f\td0=%.2f)\n", TM3, (xlen+ylen)*0.5, d0a); if(u_opt) printf("# TM-score=%.5f (normalized by user-specified L=%.2f\td0=%.2f)\n", TM4, Lnorm_ass, d0u); if(d_opt) printf("# TM-score=%.5f (scaled by user-specified d0=%.2f\tL=%d)\n", TM5, d0_scale, ylen); printf("$$$$\n"); } else if (outfmt_opt==2) { printf("%s%s\t%s%s\t%.4f\t%.4f\t%.2f\t%4.3f\t%4.3f\t%4.3f\t%d\t%d\t%d", xname.c_str(), chainID1, yname.c_str(), chainID2, TM2, TM1, rmsd, Liden/xlen, Liden/ylen, (n_ali8>0)?Liden/n_ali8:0, xlen, ylen, n_ali8); } cout << endl; if (strlen(fname_matrix)) output_rotation_matrix(fname_matrix, t, u); if (fname_super.size()) output_superpose(xname, yname, fname_super, t, u, ter_opt, mirror_opt, seqM, seqxA, seqyA, resi_vec1, resi_vec2, chainID1, chainID2, xlen, ylen, d0A, n_ali8, rmsd, TM1, Liden); } double standard_TMscore(double **r1, double **r2, double **xtm, double **ytm, double **xt, double **x, double **y, int xlen, int ylen, int invmap[], int& L_ali, double& RMSD, double D0_MIN, double Lnorm, double d0, double d0_search, double score_d8, double t[3], double u[3][3], const int mol_type) { D0_MIN = 0.5; Lnorm = ylen; if (mol_type>0) // RNA { if (Lnorm<=11) d0=0.3; else if(Lnorm>11 && Lnorm<=15) d0=0.4; else if(Lnorm>15 && Lnorm<=19) d0=0.5; else if(Lnorm>19 && Lnorm<=23) d0=0.6; else if(Lnorm>23 && Lnorm<30) d0=0.7; else d0=(0.6*pow((Lnorm*1.0-0.5), 1.0/2)-2.5); } else { if (Lnorm > 21) d0=(1.24*pow((Lnorm*1.0-15), 1.0/3) -1.8); else d0 = D0_MIN; if (d0 < D0_MIN) d0 = D0_MIN; } double d0_input = d0;// Scaled by seq_min double tmscore;// collected alined residues from invmap int n_al = 0; int i; for (int j = 0; j= 0) { xtm[n_al][0] = x[i][0]; xtm[n_al][1] = x[i][1]; xtm[n_al][2] = x[i][2]; ytm[n_al][0] = y[j][0]; ytm[n_al][1] = y[j][1]; ytm[n_al][2] = y[j][2]; r1[n_al][0] = x[i][0]; r1[n_al][1] = x[i][1]; r1[n_al][2] = x[i][2]; r2[n_al][0] = y[j][0]; r2[n_al][1] = y[j][1]; r2[n_al][2] = y[j][2]; n_al++; } else if (i != -1) PrintErrorAndQuit("Wrong map!\n"); } L_ali = n_al; Kabsch(r1, r2, n_al, 0, &RMSD, t, u); RMSD = sqrt( RMSD/(1.0*n_al) ); int temp_simplify_step = 1; int temp_score_sum_method = 0; d0_search = d0_input; double rms = 0.0; tmscore = TMscore8_search_standard(r1, r2, xtm, ytm, xt, n_al, t, u, temp_simplify_step, temp_score_sum_method, &rms, d0_input, score_d8, d0); tmscore = tmscore * n_al / (1.0*Lnorm); return tmscore; } /* copy the value of t and u into t0,u0 */ void copy_t_u(double t[3], double u[3][3], double t0[3], double u0[3][3]) { int i,j; for (i=0;i<3;i++) { t0[i]=t[i]; for (j=0;j<3;j++) u0[i][j]=u[i][j]; } } /* calculate approximate TM-score given rotation matrix */ double approx_TM(const int xlen, const int ylen, const int a_opt, double **xa, double **ya, double t[3], double u[3][3], const int invmap0[], const int mol_type) { double Lnorm_0=ylen; // normalized by the second protein if (a_opt==-2 && xlen>ylen) Lnorm_0=xlen; // longer else if (a_opt==-1 && xlen=0)//aligned { transform(t, u, &xa[i][0], &xtmp[0]); d=sqrt(dist(&xtmp[0], &ya[j][0])); TMtmp+=1/(1+(d/d0)*(d/d0)); //if (d <= score_d8) TMtmp+=1/(1+(d/d0)*(d/d0)); } } TMtmp/=Lnorm_0; return TMtmp; } void clean_up_after_approx_TM(int *invmap0, int *invmap, double **score, bool **path, double **val, double **xtm, double **ytm, double **xt, double **r1, double **r2, const int xlen, const int minlen) { delete [] invmap0; delete [] invmap; DeleteArray(&score, xlen+1); DeleteArray(&path, xlen+1); DeleteArray(&val, xlen+1); DeleteArray(&xtm, minlen); DeleteArray(&ytm, minlen); DeleteArray(&xt, xlen); DeleteArray(&r1, minlen); DeleteArray(&r2, minlen); return; } /* Entry function for TM-align. Return TM-score calculation status: * 0 - full TM-score calculation * 1 - terminated due to exception * 2-7 - pre-terminated due to low TM-score */ int TMalign_main(double **xa, double **ya, const char *seqx, const char *seqy, const char *secx, const char *secy, double t0[3], double u0[3][3], double &TM1, double &TM2, double &TM3, double &TM4, double &TM5, double &d0_0, double &TM_0, double &d0A, double &d0B, double &d0u, double &d0a, double &d0_out, string &seqM, string &seqxA, string &seqyA, double &rmsd0, int &L_ali, double &Liden, double &TM_ali, double &rmsd_ali, int &n_ali, int &n_ali8, const int xlen, const int ylen, const vector sequence, const double Lnorm_ass, const double d0_scale, const int i_opt, const int a_opt, const bool u_opt, const bool d_opt, const bool fast_opt, const int mol_type, const double TMcut=-1) { double D0_MIN; //for d0 double Lnorm; //normalization length double score_d8,d0,d0_search,dcu0;//for TMscore search double t[3], u[3][3]; //Kabsch translation vector and rotation matrix double **score; // Input score table for dynamic programming bool **path; // for dynamic programming double **val; // for dynamic programming double **xtm, **ytm; // for TMscore search engine double **xt; //for saving the superposed version of r_1 or xtm double **r1, **r2; // for Kabsch rotation /***********************/ /* allocate memory */ /***********************/ int minlen = min(xlen, ylen); NewArray(&score, xlen+1, ylen+1); NewArray(&path, xlen+1, ylen+1); NewArray(&val, xlen+1, ylen+1); NewArray(&xtm, minlen, 3); NewArray(&ytm, minlen, 3); NewArray(&xt, xlen, 3); NewArray(&r1, minlen, 3); NewArray(&r2, minlen, 3); /***********************/ /* parameter set */ /***********************/ parameter_set4search(xlen, ylen, D0_MIN, Lnorm, score_d8, d0, d0_search, dcu0); int simplify_step = 40; //for similified search engine int score_sum_method = 8; //for scoring method, whether only sum over pairs with dis= ylen || i1 >= xlen) kk1 = L; else if (sequence[0][kk1] != '-') invmap[i2] = i1; } } //--------------- 2. Align proteins from original alignment double prevD0_MIN = D0_MIN;// stored for later use int prevLnorm = Lnorm; double prevd0 = d0; TM_ali = standard_TMscore(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, L_ali, rmsd_ali, D0_MIN, Lnorm, d0, d0_search, score_d8, t, u, mol_type); D0_MIN = prevD0_MIN; Lnorm = prevLnorm; d0 = prevd0; TM = detailed_search_standard(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, 40, 8, local_d0_search, true, Lnorm, score_d8, d0); if (TM > TMmax) { TMmax = TM; for (i = 0; iTMmax) TMmax = TM; if (TMcut>0) copy_t_u(t, u, t0, u0); //run dynamic programing iteratively to find the best alignment TM = DP_iter(r1, r2, xtm, ytm, xt, path, val, xa, ya, xlen, ylen, t, u, invmap, 0, 2, (fast_opt)?2:30, local_d0_search, D0_MIN, Lnorm, d0, score_d8); if (TM>TMmax) { TMmax = TM; for (int i = 0; i0) copy_t_u(t, u, t0, u0); } if (TMcut>0) // pre-terminate if TM-score is too low { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.5*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 2; } } /************************************************************/ /* get initial alignment based on secondary structure */ /************************************************************/ get_initial_ss(path, val, secx, secy, xlen, ylen, invmap); TM = detailed_search(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, simplify_step, score_sum_method, local_d0_search, Lnorm, score_d8, d0); if (TM>TMmax) { TMmax = TM; for (int i = 0; i0) copy_t_u(t, u, t0, u0); } if (TM > TMmax*0.2) { TM = DP_iter(r1, r2, xtm, ytm, xt, path, val, xa, ya, xlen, ylen, t, u, invmap, 0, 2, (fast_opt)?2:30, local_d0_search, D0_MIN, Lnorm, d0, score_d8); if (TM>TMmax) { TMmax = TM; for (int i = 0; i0) copy_t_u(t, u, t0, u0); } } if (TMcut>0) // pre-terminate if TM-score is too low { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.52*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 3; } } /************************************************************/ /* get initial alignment based on local superposition */ /************************************************************/ //=initial5 in original TM-align if (get_initial5( r1, r2, xtm, ytm, path, val, xa, ya, xlen, ylen, invmap, d0, d0_search, fast_opt, D0_MIN)) { TM = detailed_search(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, simplify_step, score_sum_method, local_d0_search, Lnorm, score_d8, d0); if (TM>TMmax) { TMmax = TM; for (int i = 0; i0) copy_t_u(t, u, t0, u0); } if (TM > TMmax*ddcc) { TM = DP_iter(r1, r2, xtm, ytm, xt, path, val, xa, ya, xlen, ylen, t, u, invmap, 0, 2, 2, local_d0_search, D0_MIN, Lnorm, d0, score_d8); if (TM>TMmax) { TMmax = TM; for (int i = 0; i0) copy_t_u(t, u, t0, u0); } } } else cerr << "\n\nWarning: initial alignment from local superposition fail!\n\n" << endl; if (TMcut>0) // pre-terminate if TM-score is too low { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.54*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 4; } } /********************************************************************/ /* get initial alignment by local superposition+secondary structure */ /********************************************************************/ //=initial3 in original TM-align get_initial_ssplus(r1, r2, score, path, val, secx, secy, xa, ya, xlen, ylen, invmap0, invmap, D0_MIN, d0); TM = detailed_search(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, simplify_step, score_sum_method, local_d0_search, Lnorm, score_d8, d0); if (TM>TMmax) { TMmax = TM; for (i = 0; i0) copy_t_u(t, u, t0, u0); } if (TM > TMmax*ddcc) { TM = DP_iter(r1, r2, xtm, ytm, xt, path, val, xa, ya, xlen, ylen, t, u, invmap, 0, 2, (fast_opt)?2:30, local_d0_search, D0_MIN, Lnorm, d0, score_d8); if (TM>TMmax) { TMmax = TM; for (i = 0; i0) copy_t_u(t, u, t0, u0); } } if (TMcut>0) // pre-terminate if TM-score is too low { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.56*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 5; } } /*******************************************************************/ /* get initial alignment based on fragment gapless threading */ /*******************************************************************/ //=initial4 in original TM-align get_initial_fgt(r1, r2, xtm, ytm, xa, ya, xlen, ylen, invmap, d0, d0_search, dcu0, fast_opt, t, u); TM = detailed_search(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, simplify_step, score_sum_method, local_d0_search, Lnorm, score_d8, d0); if (TM>TMmax) { TMmax = TM; for (i = 0; i0) copy_t_u(t, u, t0, u0); } if (TM > TMmax*ddcc) { TM = DP_iter(r1, r2, xtm, ytm, xt, path, val, xa, ya, xlen, ylen, t, u, invmap, 1, 2, 2, local_d0_search, D0_MIN, Lnorm, d0, score_d8); if (TM>TMmax) { TMmax = TM; for (i = 0; i0) copy_t_u(t, u, t0, u0); } } if (TMcut>0) // pre-terminate if TM-score is too low { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.58*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 6; } } //************************************************// // get initial alignment from user's input: // //************************************************// if (i_opt==1)// if input has set parameter for "-i" { for (int j = 0; j < ylen; j++)// Set aligned position to be "-1" invmap[j] = -1; int i1 = -1;// in C version, index starts from zero, not from one int i2 = -1; int L1 = sequence[0].size(); int L2 = sequence[1].size(); int L = min(L1, L2);// Get positions for aligned residues for (int kk1 = 0; kk1 < L; kk1++) { if (sequence[0][kk1] != '-') i1++; if (sequence[1][kk1] != '-') { i2++; if (i2 >= ylen || i1 >= xlen) kk1 = L; else if (sequence[0][kk1] != '-') invmap[i2] = i1; } } //--------------- 2. Align proteins from original alignment double prevD0_MIN = D0_MIN;// stored for later use int prevLnorm = Lnorm; double prevd0 = d0; TM_ali = standard_TMscore(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, L_ali, rmsd_ali, D0_MIN, Lnorm, d0, d0_search, score_d8, t, u, mol_type); D0_MIN = prevD0_MIN; Lnorm = prevLnorm; d0 = prevd0; TM = detailed_search_standard(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, 40, 8, local_d0_search, true, Lnorm, score_d8, d0); if (TM > TMmax) { TMmax = TM; for (i = 0; iTMmax) { TMmax = TM; for (i = 0; i=0) { flag=true; break; } } if(!flag) { cout << "There is no alignment between the two proteins!" << endl; cout << "Program stop with no result!" << endl; return 1; } /* last TM-score pre-termination */ if (TMcut>0) { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.6*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 7; } } //********************************************************************// // Detailed TMscore search engine --> prepare for final TMscore // //********************************************************************// //run detailed TMscore search engine for the best alignment, and //extract the best rotation matrix (t, u) for the best alginment simplify_step=1; if (fast_opt) simplify_step=40; score_sum_method=8; TM = detailed_search_standard(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap0, t, u, simplify_step, score_sum_method, local_d0_search, false, Lnorm, score_d8, d0); //select pairs with dis=0)//aligned { n_ali++; d=sqrt(dist(&xt[i][0], &ya[j][0])); if (d <= score_d8 || (i_opt == 3)) { m1[k]=i; m2[k]=j; xtm[k][0]=xa[i][0]; xtm[k][1]=xa[i][1]; xtm[k][2]=xa[i][2]; ytm[k][0]=ya[j][0]; ytm[k][1]=ya[j][1]; ytm[k][2]=ya[j][2]; r1[k][0] = xt[i][0]; r1[k][1] = xt[i][1]; r1[k][2] = xt[i][2]; r2[k][0] = ya[j][0]; r2[k][1] = ya[j][1]; r2[k][2] = ya[j][2]; k++; } } } n_ali8=k; Kabsch(r1, r2, n_ali8, 0, &rmsd0, t, u);// rmsd0 is used for final output, only recalculate rmsd0, not t & u rmsd0 = sqrt(rmsd0 / n_ali8); //****************************************// // Final TMscore // // Please set parameters for output // //****************************************// double rmsd; simplify_step=1; score_sum_method=0; double Lnorm_0=ylen; //normalized by length of structure A parameter_set4final(Lnorm_0, D0_MIN, Lnorm, d0, d0_search, mol_type); d0A=d0; d0_0=d0A; local_d0_search = d0_search; TM1 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0 = TM1; //normalized by length of structure B parameter_set4final(xlen+0.0, D0_MIN, Lnorm, d0, d0_search, mol_type); d0B=d0; local_d0_search = d0_search; TM2 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); double Lnorm_d0; if (a_opt>0) { //normalized by average length of structures A, B Lnorm_0=(xlen+ylen)*0.5; parameter_set4final(Lnorm_0, D0_MIN, Lnorm, d0, d0_search, mol_type); d0a=d0; d0_0=d0a; local_d0_search = d0_search; TM3 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM3; } if (u_opt) { //normalized by user assigned length parameter_set4final(Lnorm_ass, D0_MIN, Lnorm, d0, d0_search, mol_type); d0u=d0; d0_0=d0u; Lnorm_0=Lnorm_ass; local_d0_search = d0_search; TM4 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM4; } if (d_opt) { //scaled by user assigned d0 parameter_set4scale(ylen, d0_scale, Lnorm, d0, d0_search); d0_out=d0_scale; d0_0=d0_scale; //Lnorm_0=ylen; Lnorm_d0=Lnorm_0; local_d0_search = d0_search; TM5 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM5; } /* derive alignment from superposition */ int ali_len=xlen+ylen; //maximum length of alignment seqxA.assign(ali_len,'-'); seqM.assign( ali_len,' '); seqyA.assign(ali_len,'-'); //do_rotation(xa, xt, xlen, t, u); do_rotation(xa, xt, xlen, t0, u0); int kk=0, i_old=0, j_old=0; d=0; for(int k=0; k sequence, const double Lnorm_ass, const double d0_scale, const int i_opt, const int a_opt, const bool u_opt, const bool d_opt, const bool fast_opt, const int mol_type, const double TMcut=-1) { char *seqx_cp, *seqy_cp; // for the protein sequence char *secx_cp, *secy_cp; // for the secondary structure double **xa_cp, **ya_cp; // coordinates string seqxA_cp,seqyA_cp; // alignment int i,r; int cp_point=0; // position of circular permutation int cp_aln_best=0; // amount of aligned residue in sliding window int cp_aln_current;// amount of aligned residue in sliding window /* duplicate structure */ NewArray(&xa_cp, xlen*2, 3); seqx_cp = new char[xlen*2 + 1]; secx_cp = new char[xlen*2 + 1]; for (r=0;rcp_aln_best) { cp_aln_best=cp_aln_current; cp_point=r; } } seqM.clear(); seqxA.clear(); seqyA.clear(); seqxA_cp.clear(); seqyA_cp.clear(); rmsd0=Liden=n_ali=n_ali8=0; /* fTM-align alignment */ TMalign_main(xa, ya, seqx, seqy, secx, secy, t0, u0, TM1, TM2, TM3, TM4, TM5, d0_0, TM_0, d0A, d0B, d0u, d0a, d0_out, seqM, seqxA, seqyA, rmsd0, L_ali, Liden, TM_ali, rmsd_ali, n_ali, n_ali8, xlen, ylen, sequence, Lnorm_ass, d0_scale, 0, false, false, false, true, mol_type, -1); /* do not use cricular permutation of number of aligned residues is not * larger than sequence-order dependent alignment */ if (n_ali8>cp_aln_best) cp_point=0; /* prepare structure for final alignment */ seqM.clear(); seqxA.clear(); seqyA.clear(); rmsd0=Liden=n_ali=n_ali8=0; if (cp_point!=0) { for (r=0;r0) { r=0; for (i=0;i=(xlen-cp_point)) { i++; break; } } seqxA=seqxA_cp.substr(0,i)+'*'+seqxA_cp.substr(i); seqM =seqM.substr(0,i) +' '+seqM.substr(i); seqyA=seqyA_cp.substr(0,i)+'-'+seqyA_cp.substr(i); } else { seqxA=seqxA_cp; seqyA=seqyA_cp; } /* clean up */ delete[]seqx_cp; delete[]secx_cp; DeleteArray(&xa_cp,xlen*2); seqxA_cp.clear(); seqyA_cp.clear(); return cp_point; } int main(int argc, char *argv[]) { if (argc < 2) print_help(); clock_t t1, t2; t1 = clock(); /**********************/ /* get argument */ /**********************/ string xname = ""; string yname = ""; string fname_super = ""; // file name for superposed structure string fname_lign = ""; // file name for user alignment string fname_matrix= ""; // file name for output matrix vector sequence; // get value from alignment file double Lnorm_ass, d0_scale; bool h_opt = false; // print full help message bool v_opt = false; // print version bool m_opt = false; // flag for -m, output rotation matrix int i_opt = 0; // 1 for -i, 3 for -I bool o_opt = false; // flag for -o, output superposed structure int a_opt = 0; // flag for -a, do not normalized by average length bool u_opt = false; // flag for -u, normalized by user specified length bool d_opt = false; // flag for -d, user specified d0 double TMcut =-1; int infmt1_opt=-1; // PDB or PDBx/mmCIF format for chain_1 int infmt2_opt=-1; // PDB or PDBx/mmCIF format for chain_2 int ter_opt =3; // TER, END, or different chainID int split_opt =0; // do not split chain int outfmt_opt=0; // set -outfmt to full output bool fast_opt =false; // flags for -fast, fTM-align algorithm int cp_opt =0; // do not check circular permutation int mirror_opt=0; // do not align mirror int het_opt=0; // do not read HETATM residues string atom_opt ="auto";// use C alpha atom for protein and C3' for RNA string mol_opt ="auto";// auto-detect the molecule type as protein/RNA string suffix_opt=""; // set -suffix to empty string dir_opt =""; // set -dir to empty string dir1_opt =""; // set -dir1 to empty string dir2_opt =""; // set -dir2 to empty int byresi_opt=0; // set -byresi to 0 vector chain1_list; // only when -dir1 is set vector chain2_list; // only when -dir2 is set for(int i = 1; i < argc; i++) { if ( !strcmp(argv[i],"-o") && i < (argc-1) ) { fname_super = argv[i + 1]; o_opt = true; i++; } else if ( (!strcmp(argv[i],"-u") || !strcmp(argv[i],"-L")) && i < (argc-1) ) { Lnorm_ass = atof(argv[i + 1]); u_opt = true; i++; } else if ( !strcmp(argv[i],"-a") && i < (argc-1) ) { if (!strcmp(argv[i + 1], "T")) a_opt=true; else if (!strcmp(argv[i + 1], "F")) a_opt=false; else { a_opt=atoi(argv[i + 1]); if (a_opt!=-2 && a_opt!=-1 && a_opt!=1) PrintErrorAndQuit("-a must be -2, -1, 1, T or F"); } i++; } else if ( !strcmp(argv[i],"-d") && i < (argc-1) ) { d0_scale = atof(argv[i + 1]); d_opt = true; i++; } else if ( !strcmp(argv[i],"-v") ) { v_opt = true; } else if ( !strcmp(argv[i],"-h") ) { h_opt = true; } else if ( !strcmp(argv[i],"-i") && i < (argc-1) ) { if (i_opt==3) PrintErrorAndQuit("ERROR! -i and -I cannot be used together"); fname_lign = argv[i + 1]; i_opt = 1; i++; } else if (!strcmp(argv[i], "-I") && i < (argc-1) ) { if (i_opt==1) PrintErrorAndQuit("ERROR! -I and -i cannot be used together"); fname_lign = argv[i + 1]; i_opt = 3; i++; } else if (!strcmp(argv[i], "-m") && i < (argc-1) ) { fname_matrix = argv[i + 1]; m_opt = true; i++; }// get filename for rotation matrix else if (!strcmp(argv[i], "-fast")) { fast_opt = true; } else if ( !strcmp(argv[i],"-infmt1") && i < (argc-1) ) { infmt1_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-infmt2") && i < (argc-1) ) { infmt2_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-ter") && i < (argc-1) ) { ter_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-split") && i < (argc-1) ) { split_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-atom") && i < (argc-1) ) { atom_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-mol") && i < (argc-1) ) { mol_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir") && i < (argc-1) ) { dir_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir1") && i < (argc-1) ) { dir1_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir2") && i < (argc-1) ) { dir2_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-suffix") && i < (argc-1) ) { suffix_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-outfmt") && i < (argc-1) ) { outfmt_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-TMcut") && i < (argc-1) ) { TMcut=atof(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-byresi") && i < (argc-1) ) { byresi_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-cp") ) { cp_opt=1; } else if ( !strcmp(argv[i],"-mirror") && i < (argc-1) ) { mirror_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-het") && i < (argc-1) ) { het_opt=atoi(argv[i + 1]); i++; } else if (xname.size() == 0) xname=argv[i]; else if (yname.size() == 0) yname=argv[i]; else PrintErrorAndQuit(string("ERROR! Undefined option ")+argv[i]); } if(xname.size()==0 || (yname.size()==0 && dir_opt.size()==0) || (yname.size() && dir_opt.size())) { if (h_opt) print_help(h_opt); if (v_opt) { print_version(); exit(EXIT_FAILURE); } if (xname.size()==0) PrintErrorAndQuit("Please provide input structures"); else if (yname.size()==0 && dir_opt.size()==0) PrintErrorAndQuit("Please provide structure B"); else if (yname.size() && dir_opt.size()) PrintErrorAndQuit("Please provide only one file name if -dir is set"); } if (suffix_opt.size() && dir_opt.size()+dir1_opt.size()+dir2_opt.size()==0) PrintErrorAndQuit("-suffix is only valid if -dir, -dir1 or -dir2 is set"); if ((dir_opt.size() || dir1_opt.size() || dir2_opt.size())) { if (m_opt || o_opt) PrintErrorAndQuit("-m or -o cannot be set with -dir, -dir1 or -dir2"); else if (dir_opt.size() && (dir1_opt.size() || dir2_opt.size())) PrintErrorAndQuit("-dir cannot be set with -dir1 or -dir2"); } if (atom_opt.size()!=4) PrintErrorAndQuit("ERROR! atom name must have 4 characters, including space."); if (mol_opt!="auto" && mol_opt!="protein" && mol_opt!="RNA") PrintErrorAndQuit("ERROR! molecule type must be either RNA or protein."); else if (mol_opt=="protein" && atom_opt=="auto") atom_opt=" CA "; else if (mol_opt=="RNA" && atom_opt=="auto") atom_opt=" C3'"; if (u_opt && Lnorm_ass<=0) PrintErrorAndQuit("Wrong value for option -u! It should be >0"); if (d_opt && d0_scale<=0) PrintErrorAndQuit("Wrong value for option -d! It should be >0"); if (outfmt_opt>=2 && (a_opt || u_opt || d_opt)) PrintErrorAndQuit("-outfmt 2 cannot be used with -a, -u, -L, -d"); if (byresi_opt!=0) { if (i_opt) PrintErrorAndQuit("-byresi >=1 cannot be used with -i or -I"); if (byresi_opt<0 || byresi_opt>3) PrintErrorAndQuit("-byresi can only be 0, 1, 2 or 3"); if (byresi_opt>=2 && ter_opt>=2) PrintErrorAndQuit("-byresi >=2 should be used with -ter <=1"); } if (split_opt==1 && ter_opt!=0) PrintErrorAndQuit("-split 1 should be used with -ter 0"); else if (split_opt==2 && ter_opt!=0 && ter_opt!=1) PrintErrorAndQuit("-split 2 should be used with -ter 0 or 1"); if (split_opt<0 || split_opt>2) PrintErrorAndQuit("-split can only be 0, 1 or 2"); if (cp_opt!=0 && cp_opt!=1) PrintErrorAndQuit("-cp can only be 0 or 1"); if (cp_opt && i_opt) PrintErrorAndQuit("-cp cannot be used with -i or -I"); /* read initial alignment file from 'align.txt' */ if (i_opt) read_user_alignment(sequence, fname_lign, i_opt); if (byresi_opt) i_opt=3; if (m_opt && fname_matrix == "") // Output rotation matrix: matrix.txt PrintErrorAndQuit("ERROR! Please provide a file name for option -m!"); /* parse file list */ if (dir1_opt.size()+dir_opt.size()==0) chain1_list.push_back(xname); else file2chainlist(chain1_list, xname, dir_opt+dir1_opt, suffix_opt); if (dir_opt.size()) for (int i=0;i >PDB_lines1; // text of chain1 vector >PDB_lines2; // text of chain2 vector mol_vec1; // molecule type of chain1, RNA if >0 vector mol_vec2; // molecule type of chain2, RNA if >0 vector chainID_list1; // list of chainID1 vector chainID_list2; // list of chainID2 int i,j; // file index int chain_i,chain_j; // chain index int r; // residue index int xlen, ylen; // chain length int xchainnum,ychainnum;// number of chains in a PDB file char *seqx, *seqy; // for the protein sequence char *secx, *secy; // for the secondary structure double **xa, **ya; // for input vectors xa[0...xlen-1][0..2] and // ya[0...ylen-1][0..2], in general, // ya is regarded as native structure // --> superpose xa onto ya vector resi_vec1; // residue index for chain1 vector resi_vec2; // residue index for chain2 /* loop over file names */ for (i=0;i0)*(i+1);j1) { yname.clear(); for (chain_j=0;chain_j(B)?(A):(B)) #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include void print_version() { cout << "\n" " *************************************************************************\n" " * TM-SCORE *\n" " * A scoring function to assess the similarity of protein structures *\n" " * Based on statistics: *\n" " * 0.0 < TM-score < 0.17, random structural similarity *\n" " * 0.5 < TM-score < 1.00, in about the same fold *\n" " * Reference: Yang Zhang and Jeffrey Skolnick, Proteins 2004 57: 702-710 *\n" " * For comments, please email to: yangzhanglab@umich.edu *\n" " *************************************************************************" << endl; } void print_extra_help() { cout << "Additional options:\n" " -a TM-score normalized by the average length of two structures\n" " T or F, (default F)\n" "\n" " -m Output TM-score rotation matrix\n" "\n" " -d TM-score scaled by an assigned d0, e.g. 5 Angstroms\n" "\n" " -fast Fast but slightly inaccurate alignment\n" "\n" " -dir Perform all-against-all alignment among the list of PDB\n" " chains listed by 'chain_list' under 'chain_folder'. Note\n" " that the slash is necessary.\n" " $ TMscore -dir chain_folder/ chain_list\n" "\n" " -dir1 Use chain2 to search a list of PDB chains listed by 'chain1_list'\n" " under 'chain1_folder'. Note that the slash is necessary.\n" " $ TMscore -dir1 chain1_folder/ chain1_list chain2\n" "\n" " -dir2 Use chain1 to search a list of PDB chains listed by 'chain2_list'\n" " under 'chain2_folder'\n" " $ TMscore chain1 -dir2 chain2_folder/ chain2_list\n" "\n" " -suffix (Only when -dir1 and/or -dir2 are set, default is empty)\n" " add file name suffix to files listed by chain1_list or chain2_list\n" "\n" " -atom 4-character atom name used to represent a residue.\n" " Default is \" C3'\" for RNA/DNA and \" CA \" for proteins\n" " (note the spaces before and after CA).\n" "\n" " -mol Molecule type: RNA or protein\n" " Default is detect molecule type automatically\n" "\n" " -ter Strings to mark the end of a chain\n" " 3: (default) TER, ENDMDL, END or different chain ID\n" " 2: ENDMDL, END, or different chain ID\n" " 1: ENDMDL or END\n" " 0: (default in the first C++ TMalign) end of file\n" "\n" " -split Whether to split PDB file into multiple chains\n" " 0: (default) treat the whole structure as one single chain\n" " 1: treat each MODEL as a separate chain (-ter should be 0)\n" " 2: treat each chain as a seperate chain (-ter should be <=1)\n" "\n" " -outfmt Output format\n" " 0: (default) full output\n" " 1: fasta format compact output\n" " 2: tabular format very compact output\n" " -1: full output, but without version or citation information\n" "\n" " -mirror Whether to align the mirror image of input structure\n" " 0: (default) do not align mirrored structure\n" " 1: align mirror of chain1 to origin chain2\n" "\n" " -het Whether to align residues marked as 'HETATM' in addition to 'ATOM '\n" " 0: (default) only align 'ATOM ' residues\n" " 1: align both 'ATOM ' and 'HETATM' residues\n" "\n" " -infmt1 Input format for chain1\n" " -infmt2 Input format for chain2\n" " -1: (default) automatically detect PDB or PDBx/mmCIF format\n" " 0: PDB format\n" " 1: SPICKER format\n" " 2: xyz format\n" " 3: PDBx/mmCIF format\n" < #include #include #include #include #include #include // for min() #include // for errno #include // for size_t, NULL #include // for exit() #include // for pid_t #include // for waitpid() #include // for ioctl() and FIONREAD #if defined(__sun) # include // for FIONREAD on Solaris 2.5 #endif #include // for pipe() fork() exec() and filedes functions #include // for kill() #include // for fcntl() #if REDI_EVISCERATE_PSTREAMS # include // for FILE, fdopen() #endif /// The library version. #define PSTREAMS_VERSION 0x0101 // 1.0.1 /** * @namespace redi * @brief All PStreams classes are declared in namespace redi. * * Like the standard iostreams, PStreams is a set of class templates, * taking a character type and traits type. As with the standard streams * they are most likely to be used with @c char and the default * traits type, so typedefs for this most common case are provided. * * The @c pstream_common class template is not intended to be used directly, * it is used internally to provide the common functionality for the * other stream classes. */ namespace redi { /// Common base class providing constants and typenames. struct pstreams { /// Type used to specify how to connect to the process. typedef std::ios_base::openmode pmode; /// Type used to hold the arguments for a command. typedef std::vector argv_type; /// Type used for file descriptors. typedef int fd_type; static const pmode pstdin = std::ios_base::out; ///< Write to stdin static const pmode pstdout = std::ios_base::in; ///< Read from stdout static const pmode pstderr = std::ios_base::app; ///< Read from stderr /// Create a new process group for the child process. static const pmode newpg = std::ios_base::trunc; protected: enum { bufsz = 32 }; ///< Size of pstreambuf buffers. enum { pbsz = 2 }; ///< Number of putback characters kept. }; /// Class template for stream buffer. template > class basic_pstreambuf : public std::basic_streambuf , public pstreams { public: // Type definitions for dependent types typedef CharT char_type; typedef Traits traits_type; typedef typename traits_type::int_type int_type; typedef typename traits_type::off_type off_type; typedef typename traits_type::pos_type pos_type; /** @deprecated use pstreams::fd_type instead. */ typedef fd_type fd_t; /// Default constructor. basic_pstreambuf(); /// Constructor that initialises the buffer with @a cmd. basic_pstreambuf(const std::string& cmd, pmode mode); /// Constructor that initialises the buffer with @a file and @a argv. basic_pstreambuf( const std::string& file, const argv_type& argv, pmode mode ); /// Destructor. ~basic_pstreambuf(); /// Initialise the stream buffer with @a cmd. basic_pstreambuf* open(const std::string& cmd, pmode mode); /// Initialise the stream buffer with @a file and @a argv. basic_pstreambuf* open(const std::string& file, const argv_type& argv, pmode mode); /// Close the stream buffer and wait for the process to exit. basic_pstreambuf* close(); /// Send a signal to the process. basic_pstreambuf* kill(int signal = SIGTERM); /// Send a signal to the process' process group. basic_pstreambuf* killpg(int signal = SIGTERM); /// Close the pipe connected to the process' stdin. void peof(); /// Change active input source. bool read_err(bool readerr = true); /// Report whether the stream buffer has been initialised. bool is_open() const; /// Report whether the process has exited. bool exited(); #if REDI_EVISCERATE_PSTREAMS /// Obtain FILE pointers for each of the process' standard streams. std::size_t fopen(FILE*& in, FILE*& out, FILE*& err); #endif /// Return the exit status of the process. int status() const; /// Return the error number (errno) for the most recent failed operation. int error() const; protected: /// Transfer characters to the pipe when character buffer overflows. int_type overflow(int_type c); /// Transfer characters from the pipe when the character buffer is empty. int_type underflow(); /// Make a character available to be returned by the next extraction. int_type pbackfail(int_type c = traits_type::eof()); /// Write any buffered characters to the stream. int sync(); /// Insert multiple characters into the pipe. std::streamsize xsputn(const char_type* s, std::streamsize n); /// Insert a sequence of characters into the pipe. std::streamsize write(const char_type* s, std::streamsize n); /// Extract a sequence of characters from the pipe. std::streamsize read(char_type* s, std::streamsize n); /// Report how many characters can be read from active input without blocking. std::streamsize showmanyc(); protected: /// Enumerated type to indicate whether stdout or stderr is to be read. enum buf_read_src { rsrc_out = 0, rsrc_err = 1 }; /// Initialise pipes and fork process. pid_t fork(pmode mode); /// Wait for the child process to exit. int wait(bool nohang = false); /// Return the file descriptor for the output pipe. fd_type& wpipe(); /// Return the file descriptor for the active input pipe. fd_type& rpipe(); /// Return the file descriptor for the specified input pipe. fd_type& rpipe(buf_read_src which); void create_buffers(pmode mode); void destroy_buffers(pmode mode); /// Writes buffered characters to the process' stdin pipe. bool empty_buffer(); bool fill_buffer(bool non_blocking = false); /// Return the active input buffer. char_type* rbuffer(); buf_read_src switch_read_buffer(buf_read_src); private: basic_pstreambuf(const basic_pstreambuf&); basic_pstreambuf& operator=(const basic_pstreambuf&); void init_rbuffers(); pid_t ppid_; // pid of process fd_type wpipe_; // pipe used to write to process' stdin fd_type rpipe_[2]; // two pipes to read from, stdout and stderr char_type* wbuffer_; char_type* rbuffer_[2]; char_type* rbufstate_[3]; /// Index into rpipe_[] to indicate active source for read operations. buf_read_src rsrc_; int status_; // hold exit status of child process int error_; // hold errno if fork() or exec() fails }; /// Class template for common base class. template > class pstream_common : virtual public std::basic_ios , virtual public pstreams { protected: typedef basic_pstreambuf streambuf_type; typedef pstreams::pmode pmode; typedef pstreams::argv_type argv_type; /// Default constructor. pstream_common(); /// Constructor that initialises the stream by starting a process. pstream_common(const std::string& cmd, pmode mode); /// Constructor that initialises the stream by starting a process. pstream_common(const std::string& file, const argv_type& argv, pmode mode); /// Pure virtual destructor. virtual ~pstream_common() = 0; /// Start a process. void do_open(const std::string& cmd, pmode mode); /// Start a process. void do_open(const std::string& file, const argv_type& argv, pmode mode); public: /// Close the pipe. void close(); /// Report whether the stream's buffer has been initialised. bool is_open() const; /// Return the command used to initialise the stream. const std::string& command() const; /// Return a pointer to the stream buffer. streambuf_type* rdbuf() const; #if REDI_EVISCERATE_PSTREAMS /// Obtain FILE pointers for each of the process' standard streams. std::size_t fopen(FILE*& in, FILE*& out, FILE*& err); #endif protected: std::string command_; ///< The command used to start the process. streambuf_type buf_; ///< The stream buffer. }; /** * @class basic_ipstream * @brief Class template for Input PStreams. * * Reading from an ipstream reads the command's standard output and/or * standard error (depending on how the ipstream is opened) * and the command's standard input is the same as that of the process * that created the object, unless altered by the command itself. */ template > class basic_ipstream : public std::basic_istream , public pstream_common , virtual public pstreams { typedef std::basic_istream istream_type; typedef pstream_common pbase_type; using pbase_type::buf_; // declare name in this scope // Ensure a basic_ipstream will read from at least one pipe pmode readable(pmode mode) { if (!(mode & (pstdout|pstderr))) mode |= pstdout; return mode; } public: /// Type used to specify how to connect to the process. typedef typename pbase_type::pmode pmode; /// Type used to hold the arguments for a command. typedef typename pbase_type::argv_type argv_type; /// Default constructor, creates an uninitialised stream. basic_ipstream() : istream_type(NULL), pbase_type() { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ explicit basic_ipstream(const std::string& cmd, pmode mode = pstdout) : istream_type(NULL), pbase_type(cmd, readable(mode)) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ basic_ipstream( const std::string& file, const argv_type& argv, pmode mode = pstdout ) : istream_type(NULL), pbase_type(file, argv, readable(mode)) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling * @c do_open(argv[0],argv,mode|pstdout) * * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ explicit basic_ipstream(const argv_type& argv, pmode mode = pstdout) : istream_type(NULL), pbase_type(argv.at(0), argv, readable(mode)) { } #if __cplusplus >= 201103L template explicit basic_ipstream(std::initializer_list args, pmode mode = pstdout) : basic_ipstream(argv_type(args.begin(), args.end()), mode) { } #endif /** * @brief Destructor. * * Closes the stream and waits for the child to exit. */ ~basic_ipstream() { } /** * @brief Start a process. * * Calls do_open( @a cmd , @a mode|pstdout ). * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ void open(const std::string& cmd, pmode mode = pstdout) { this->do_open(cmd, readable(mode)); } /** * @brief Start a process. * * Calls do_open( @a file , @a argv , @a mode|pstdout ). * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ void open( const std::string& file, const argv_type& argv, pmode mode = pstdout ) { this->do_open(file, argv, readable(mode)); } /** * @brief Set streambuf to read from process' @c stdout. * @return @c *this */ basic_ipstream& out() { this->buf_.read_err(false); return *this; } /** * @brief Set streambuf to read from process' @c stderr. * @return @c *this */ basic_ipstream& err() { this->buf_.read_err(true); return *this; } }; /** * @class basic_opstream * @brief Class template for Output PStreams. * * Writing to an open opstream writes to the standard input of the command; * the command's standard output is the same as that of the process that * created the pstream object, unless altered by the command itself. */ template > class basic_opstream : public std::basic_ostream , public pstream_common , virtual public pstreams { typedef std::basic_ostream ostream_type; typedef pstream_common pbase_type; using pbase_type::buf_; // declare name in this scope public: /// Type used to specify how to connect to the process. typedef typename pbase_type::pmode pmode; /// Type used to hold the arguments for a command. typedef typename pbase_type::argv_type argv_type; /// Default constructor, creates an uninitialised stream. basic_opstream() : ostream_type(NULL), pbase_type() { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ explicit basic_opstream(const std::string& cmd, pmode mode = pstdin) : ostream_type(NULL), pbase_type(cmd, mode|pstdin) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ basic_opstream( const std::string& file, const argv_type& argv, pmode mode = pstdin ) : ostream_type(NULL), pbase_type(file, argv, mode|pstdin) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling * @c do_open(argv[0],argv,mode|pstdin) * * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ explicit basic_opstream(const argv_type& argv, pmode mode = pstdin) : ostream_type(NULL), pbase_type(argv.at(0), argv, mode|pstdin) { } #if __cplusplus >= 201103L /** * @brief Constructor that initialises the stream by starting a process. * * @param args a list of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ template explicit basic_opstream(std::initializer_list args, pmode mode = pstdin) : basic_opstream(argv_type(args.begin(), args.end()), mode) { } #endif /** * @brief Destructor * * Closes the stream and waits for the child to exit. */ ~basic_opstream() { } /** * @brief Start a process. * * Calls do_open( @a cmd , @a mode|pstdin ). * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ void open(const std::string& cmd, pmode mode = pstdin) { this->do_open(cmd, mode|pstdin); } /** * @brief Start a process. * * Calls do_open( @a file , @a argv , @a mode|pstdin ). * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ void open( const std::string& file, const argv_type& argv, pmode mode = pstdin) { this->do_open(file, argv, mode|pstdin); } }; /** * @class basic_pstream * @brief Class template for Bidirectional PStreams. * * Writing to a pstream opened with @c pmode @c pstdin writes to the * standard input of the command. * Reading from a pstream opened with @c pmode @c pstdout and/or @c pstderr * reads the command's standard output and/or standard error. * Any of the process' @c stdin, @c stdout or @c stderr that is not * connected to the pstream (as specified by the @c pmode) * will be the same as the process that created the pstream object, * unless altered by the command itself. */ template > class basic_pstream : public std::basic_iostream , public pstream_common , virtual public pstreams { typedef std::basic_iostream iostream_type; typedef pstream_common pbase_type; using pbase_type::buf_; // declare name in this scope public: /// Type used to specify how to connect to the process. typedef typename pbase_type::pmode pmode; /// Type used to hold the arguments for a command. typedef typename pbase_type::argv_type argv_type; /// Default constructor, creates an uninitialised stream. basic_pstream() : iostream_type(NULL), pbase_type() { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ explicit basic_pstream(const std::string& cmd, pmode mode = pstdout|pstdin) : iostream_type(NULL), pbase_type(cmd, mode) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ basic_pstream( const std::string& file, const argv_type& argv, pmode mode = pstdout|pstdin ) : iostream_type(NULL), pbase_type(file, argv, mode) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling * @c do_open(argv[0],argv,mode) * * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ explicit basic_pstream(const argv_type& argv, pmode mode = pstdout|pstdin) : iostream_type(NULL), pbase_type(argv.at(0), argv, mode) { } #if __cplusplus >= 201103L /** * @brief Constructor that initialises the stream by starting a process. * * @param l a list of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ template explicit basic_pstream(std::initializer_list l, pmode mode = pstdout|pstdin) : basic_pstream(argv_type(l.begin(), l.end()), mode) { } #endif /** * @brief Destructor * * Closes the stream and waits for the child to exit. */ ~basic_pstream() { } /** * @brief Start a process. * * Calls do_open( @a cnd , @a mode ). * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ void open(const std::string& cmd, pmode mode = pstdout|pstdin) { this->do_open(cmd, mode); } /** * @brief Start a process. * * Calls do_open( @a file , @a argv , @a mode ). * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ void open( const std::string& file, const argv_type& argv, pmode mode = pstdout|pstdin ) { this->do_open(file, argv, mode); } /** * @brief Set streambuf to read from process' @c stdout. * @return @c *this */ basic_pstream& out() { this->buf_.read_err(false); return *this; } /** * @brief Set streambuf to read from process' @c stderr. * @return @c *this */ basic_pstream& err() { this->buf_.read_err(true); return *this; } }; /** * @class basic_rpstream * @brief Class template for Restricted PStreams. * * Writing to an rpstream opened with @c pmode @c pstdin writes to the * standard input of the command. * It is not possible to read directly from an rpstream object, to use * an rpstream as in istream you must call either basic_rpstream::out() * or basic_rpstream::err(). This is to prevent accidental reads from * the wrong input source. If the rpstream was not opened with @c pmode * @c pstderr then the class cannot read the process' @c stderr, and * basic_rpstream::err() will return an istream that reads from the * process' @c stdout, and vice versa. * Reading from an rpstream opened with @c pmode @c pstdout and/or * @c pstderr reads the command's standard output and/or standard error. * Any of the process' @c stdin, @c stdout or @c stderr that is not * connected to the pstream (as specified by the @c pmode) * will be the same as the process that created the pstream object, * unless altered by the command itself. */ template > class basic_rpstream : public std::basic_ostream , private std::basic_istream , private pstream_common , virtual public pstreams { typedef std::basic_ostream ostream_type; typedef std::basic_istream istream_type; typedef pstream_common pbase_type; using pbase_type::buf_; // declare name in this scope public: /// Type used to specify how to connect to the process. typedef typename pbase_type::pmode pmode; /// Type used to hold the arguments for a command. typedef typename pbase_type::argv_type argv_type; /// Default constructor, creates an uninitialised stream. basic_rpstream() : ostream_type(NULL), istream_type(NULL), pbase_type() { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ explicit basic_rpstream(const std::string& cmd, pmode mode = pstdout|pstdin) : ostream_type(NULL) , istream_type(NULL) , pbase_type(cmd, mode) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling do_open() with the supplied * arguments. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ basic_rpstream( const std::string& file, const argv_type& argv, pmode mode = pstdout|pstdin ) : ostream_type(NULL), istream_type(NULL), pbase_type(file, argv, mode) { } /** * @brief Constructor that initialises the stream by starting a process. * * Initialises the stream buffer by calling * @c do_open(argv[0],argv,mode) * * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ explicit basic_rpstream(const argv_type& argv, pmode mode = pstdout|pstdin) : ostream_type(NULL), istream_type(NULL), pbase_type(argv.at(0), argv, mode) { } #if __cplusplus >= 201103L /** * @brief Constructor that initialises the stream by starting a process. * * @param l a list of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ template explicit basic_rpstream(std::initializer_list l, pmode mode = pstdout|pstdin) : basic_rpstream(argv_type(l.begin(), l.end()), mode) { } #endif /// Destructor ~basic_rpstream() { } /** * @brief Start a process. * * Calls do_open( @a cmd , @a mode ). * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ void open(const std::string& cmd, pmode mode = pstdout|pstdin) { this->do_open(cmd, mode); } /** * @brief Start a process. * * Calls do_open( @a file , @a argv , @a mode ). * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ void open( const std::string& file, const argv_type& argv, pmode mode = pstdout|pstdin ) { this->do_open(file, argv, mode); } /** * @brief Obtain a reference to the istream that reads * the process' @c stdout. * @return @c *this */ istream_type& out() { this->buf_.read_err(false); return *this; } /** * @brief Obtain a reference to the istream that reads * the process' @c stderr. * @return @c *this */ istream_type& err() { this->buf_.read_err(true); return *this; } }; /// Type definition for common template specialisation. typedef basic_pstreambuf pstreambuf; /// Type definition for common template specialisation. typedef basic_ipstream ipstream; /// Type definition for common template specialisation. typedef basic_opstream opstream; /// Type definition for common template specialisation. typedef basic_pstream pstream; /// Type definition for common template specialisation. typedef basic_rpstream rpstream; /** * When inserted into an output pstream the manipulator calls * basic_pstreambuf::peof() to close the output pipe, * causing the child process to receive the end-of-file indicator * on subsequent reads from its @c stdin stream. * * @brief Manipulator to close the pipe connected to the process' stdin. * @param s An output PStream class. * @return The stream object the manipulator was invoked on. * @see basic_pstreambuf::peof() * @relates basic_opstream basic_pstream basic_rpstream */ template inline std::basic_ostream& peof(std::basic_ostream& s) { typedef basic_pstreambuf pstreambuf_type; if (pstreambuf_type* p = dynamic_cast(s.rdbuf())) p->peof(); return s; } /* * member definitions for pstreambuf */ /** * @class basic_pstreambuf * Provides underlying streambuf functionality for the PStreams classes. */ /** Creates an uninitialised stream buffer. */ template inline basic_pstreambuf::basic_pstreambuf() : ppid_(-1) // initialise to -1 to indicate no process run yet. , wpipe_(-1) , wbuffer_(NULL) , rsrc_(rsrc_out) , status_(-1) , error_(0) { init_rbuffers(); } /** * Initialises the stream buffer by calling open() with the supplied * arguments. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see open() */ template inline basic_pstreambuf::basic_pstreambuf(const std::string& cmd, pmode mode) : ppid_(-1) // initialise to -1 to indicate no process run yet. , wpipe_(-1) , wbuffer_(NULL) , rsrc_(rsrc_out) , status_(-1) , error_(0) { init_rbuffers(); open(cmd, mode); } /** * Initialises the stream buffer by calling open() with the supplied * arguments. * * @param file a string containing the name of a program to execute. * @param argv a vector of argument strings passsed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see open() */ template inline basic_pstreambuf::basic_pstreambuf( const std::string& file, const argv_type& argv, pmode mode ) : ppid_(-1) // initialise to -1 to indicate no process run yet. , wpipe_(-1) , wbuffer_(NULL) , rsrc_(rsrc_out) , status_(-1) , error_(0) { init_rbuffers(); open(file, argv, mode); } /** * Closes the stream by calling close(). * @see close() */ template inline basic_pstreambuf::~basic_pstreambuf() { close(); } /** * Starts a new process by passing @a command to the shell (/bin/sh) * and opens pipes to the process with the specified @a mode. * * If @a mode contains @c pstdout the initial read source will be * the child process' stdout, otherwise if @a mode contains @c pstderr * the initial read source will be the child's stderr. * * Will duplicate the actions of the shell in searching for an * executable file if the specified file name does not contain a slash (/) * character. * * @warning * There is no way to tell whether the shell command succeeded, this * function will always succeed unless resource limits (such as * memory usage, or number of processes or open files) are exceeded. * This means is_open() will return true even if @a command cannot * be executed. * Use pstreambuf::open(const std::string&, const argv_type&, pmode) * if you need to know whether the command failed to execute. * * @param command a string containing a shell command. * @param mode a bitwise OR of one or more of @c out, @c in, @c err. * @return NULL if the shell could not be started or the * pipes could not be opened, @c this otherwise. * @see execl(3) */ template basic_pstreambuf* basic_pstreambuf::open(const std::string& command, pmode mode) { const char * shell_path = "/bin/sh"; #if 0 const std::string argv[] = { "sh", "-c", command }; return this->open(shell_path, argv_type(argv, argv+3), mode); #else basic_pstreambuf* ret = NULL; if (!is_open()) { switch(fork(mode)) { case 0 : // this is the new process, exec command ::execl(shell_path, "sh", "-c", command.c_str(), (char*)NULL); // can only reach this point if exec() failed // parent can get exit code from waitpid() ::_exit(errno); // using std::exit() would make static dtors run twice case -1 : // couldn't fork, error already handled in pstreambuf::fork() break; default : // this is the parent process // activate buffers create_buffers(mode); ret = this; } } return ret; #endif } /** * @brief Helper function to close a file descriptor. * * Inspects @a fd and calls close(3) if it has a non-negative value. * * @param fd a file descriptor. * @relates basic_pstreambuf */ inline void close_fd(pstreams::fd_type& fd) { if (fd >= 0 && ::close(fd) == 0) fd = -1; } /** * @brief Helper function to close an array of file descriptors. * * Calls @c close_fd() on each member of the array. * The length of the array is determined automatically by * template argument deduction to avoid errors. * * @param fds an array of file descriptors. * @relates basic_pstreambuf */ template inline void close_fd_array(pstreams::fd_type (&fds)[N]) { for (std::size_t i = 0; i < N; ++i) close_fd(fds[i]); } /** * Starts a new process by executing @a file with the arguments in * @a argv and opens pipes to the process with the specified @a mode. * * By convention @c argv[0] should be the file name of the file being * executed. * * If @a mode contains @c pstdout the initial read source will be * the child process' stdout, otherwise if @a mode contains @c pstderr * the initial read source will be the child's stderr. * * Will duplicate the actions of the shell in searching for an * executable file if the specified file name does not contain a slash (/) * character. * * Iff @a file is successfully executed then is_open() will return true. * Otherwise, pstreambuf::error() can be used to obtain the value of * @c errno that was set by execvp(3) in the child process. * * The exit status of the new process will be returned by * pstreambuf::status() after pstreambuf::exited() returns true. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode a bitwise OR of one or more of @c out, @c in and @c err. * @return NULL if a pipe could not be opened or if the program could * not be executed, @c this otherwise. * @see execvp(3) */ template basic_pstreambuf* basic_pstreambuf::open( const std::string& file, const argv_type& argv, pmode mode ) { basic_pstreambuf* ret = NULL; if (!is_open()) { // constants for read/write ends of pipe enum { RD, WR }; // open another pipe and set close-on-exec fd_type ck_exec[] = { -1, -1 }; if (-1 == ::pipe(ck_exec) || -1 == ::fcntl(ck_exec[RD], F_SETFD, FD_CLOEXEC) || -1 == ::fcntl(ck_exec[WR], F_SETFD, FD_CLOEXEC)) { error_ = errno; close_fd_array(ck_exec); } else { switch(fork(mode)) { case 0 : // this is the new process, exec command { char** arg_v = new char*[argv.size()+1]; for (std::size_t i = 0; i < argv.size(); ++i) { const std::string& src = argv[i]; char*& dest = arg_v[i]; dest = new char[src.size()+1]; dest[ src.copy(dest, src.size()) ] = '\0'; } arg_v[argv.size()] = NULL; ::execvp(file.c_str(), arg_v); // can only reach this point if exec() failed // parent can get error code from ck_exec pipe error_ = errno; while (::write(ck_exec[WR], &error_, sizeof(error_)) == -1 && errno == EINTR) { } ::close(ck_exec[WR]); ::close(ck_exec[RD]); ::_exit(error_); // using std::exit() would make static dtors run twice } case -1 : // couldn't fork, error already handled in pstreambuf::fork() close_fd_array(ck_exec); break; default : // this is the parent process // check child called exec() successfully ::close(ck_exec[WR]); switch (::read(ck_exec[RD], &error_, sizeof(error_))) { case 0: // activate buffers create_buffers(mode); ret = this; break; case -1: error_ = errno; break; default: // error_ contains error code from child // call wait() to clean up and set ppid_ to 0 this->wait(); break; } ::close(ck_exec[RD]); } } } return ret; } /** * Creates pipes as specified by @a mode and calls @c fork() to create * a new process. If the fork is successful the parent process stores * the child's PID and the opened pipes and the child process replaces * its standard streams with the opened pipes. * * If an error occurs the error code will be set to one of the possible * errors for @c pipe() or @c fork(). * See your system's documentation for these error codes. * * @param mode an OR of pmodes specifying which of the child's * standard streams to connect to. * @return On success the PID of the child is returned in the parent's * context and zero is returned in the child's context. * On error -1 is returned and the error code is set appropriately. */ template pid_t basic_pstreambuf::fork(pmode mode) { pid_t pid = -1; // Three pairs of file descriptors, for pipes connected to the // process' stdin, stdout and stderr // (stored in a single array so close_fd_array() can close all at once) fd_type fd[] = { -1, -1, -1, -1, -1, -1 }; fd_type* const pin = fd; fd_type* const pout = fd+2; fd_type* const perr = fd+4; // constants for read/write ends of pipe enum { RD, WR }; // N.B. // For the pstreambuf pin is an output stream and // pout and perr are input streams. if (!error_ && mode&pstdin && ::pipe(pin)) error_ = errno; if (!error_ && mode&pstdout && ::pipe(pout)) error_ = errno; if (!error_ && mode&pstderr && ::pipe(perr)) error_ = errno; if (!error_) { pid = ::fork(); switch (pid) { case 0 : { // this is the new process // for each open pipe close one end and redirect the // respective standard stream to the other end if (*pin >= 0) { ::close(pin[WR]); ::dup2(pin[RD], STDIN_FILENO); ::close(pin[RD]); } if (*pout >= 0) { ::close(pout[RD]); ::dup2(pout[WR], STDOUT_FILENO); ::close(pout[WR]); } if (*perr >= 0) { ::close(perr[RD]); ::dup2(perr[WR], STDERR_FILENO); ::close(perr[WR]); } #ifdef _POSIX_JOB_CONTROL if (mode&newpg) ::setpgid(0, 0); // Change to a new process group #endif break; } case -1 : { // couldn't fork for some reason error_ = errno; // close any open pipes close_fd_array(fd); break; } default : { // this is the parent process, store process' pid ppid_ = pid; // store one end of open pipes and close other end if (*pin >= 0) { wpipe_ = pin[WR]; ::close(pin[RD]); } if (*pout >= 0) { rpipe_[rsrc_out] = pout[RD]; ::close(pout[WR]); } if (*perr >= 0) { rpipe_[rsrc_err] = perr[RD]; ::close(perr[WR]); } } } } else { // close any pipes we opened before failure close_fd_array(fd); } return pid; } /** * Closes all pipes and calls wait() to wait for the process to finish. * If an error occurs the error code will be set to one of the possible * errors for @c waitpid(). * See your system's documentation for these errors. * * @return @c this on successful close or @c NULL if there is no * process to close or if an error occurs. */ template basic_pstreambuf* basic_pstreambuf::close() { const bool running = is_open(); sync(); // this might call wait() and reap the child process // rather than trying to work out whether or not we need to clean up // just do it anyway, all cleanup functions are safe to call twice. destroy_buffers(pstdin|pstdout|pstderr); // close pipes before wait() so child gets EOF/SIGPIPE close_fd(wpipe_); close_fd_array(rpipe_); do { error_ = 0; } while (wait() == -1 && error() == EINTR); return running ? this : NULL; } /** * Called on construction to initialise the arrays used for reading. */ template inline void basic_pstreambuf::init_rbuffers() { rpipe_[rsrc_out] = rpipe_[rsrc_err] = -1; rbuffer_[rsrc_out] = rbuffer_[rsrc_err] = NULL; rbufstate_[0] = rbufstate_[1] = rbufstate_[2] = NULL; } template void basic_pstreambuf::create_buffers(pmode mode) { if (mode & pstdin) { delete[] wbuffer_; wbuffer_ = new char_type[bufsz]; this->setp(wbuffer_, wbuffer_ + bufsz); } if (mode & pstdout) { delete[] rbuffer_[rsrc_out]; rbuffer_[rsrc_out] = new char_type[bufsz]; rsrc_ = rsrc_out; this->setg(rbuffer_[rsrc_out] + pbsz, rbuffer_[rsrc_out] + pbsz, rbuffer_[rsrc_out] + pbsz); } if (mode & pstderr) { delete[] rbuffer_[rsrc_err]; rbuffer_[rsrc_err] = new char_type[bufsz]; if (!(mode & pstdout)) { rsrc_ = rsrc_err; this->setg(rbuffer_[rsrc_err] + pbsz, rbuffer_[rsrc_err] + pbsz, rbuffer_[rsrc_err] + pbsz); } } } template void basic_pstreambuf::destroy_buffers(pmode mode) { if (mode & pstdin) { this->setp(NULL, NULL); delete[] wbuffer_; wbuffer_ = NULL; } if (mode & pstdout) { if (rsrc_ == rsrc_out) this->setg(NULL, NULL, NULL); delete[] rbuffer_[rsrc_out]; rbuffer_[rsrc_out] = NULL; } if (mode & pstderr) { if (rsrc_ == rsrc_err) this->setg(NULL, NULL, NULL); delete[] rbuffer_[rsrc_err]; rbuffer_[rsrc_err] = NULL; } } template typename basic_pstreambuf::buf_read_src basic_pstreambuf::switch_read_buffer(buf_read_src src) { if (rsrc_ != src) { char_type* tmpbufstate[] = {this->eback(), this->gptr(), this->egptr()}; this->setg(rbufstate_[0], rbufstate_[1], rbufstate_[2]); for (std::size_t i = 0; i < 3; ++i) rbufstate_[i] = tmpbufstate[i]; rsrc_ = src; } return rsrc_; } /** * Suspends execution and waits for the associated process to exit, or * until a signal is delivered whose action is to terminate the current * process or to call a signal handling function. If the process has * already exited (i.e. it is a "zombie" process) then wait() returns * immediately. Waiting for the child process causes all its system * resources to be freed. * * error() will return EINTR if wait() is interrupted by a signal. * * @param nohang true to return immediately if the process has not exited. * @return 1 if the process has exited and wait() has not yet been called. * 0 if @a nohang is true and the process has not exited yet. * -1 if no process has been started or if an error occurs, * in which case the error can be found using error(). */ template int basic_pstreambuf::wait(bool nohang) { int child_exited = -1; if (is_open()) { int exit_status; switch(::waitpid(ppid_, &exit_status, nohang ? WNOHANG : 0)) { case 0 : // nohang was true and process has not exited child_exited = 0; break; case -1 : error_ = errno; break; default : // process has exited ppid_ = 0; status_ = exit_status; child_exited = 1; // Close wpipe, would get SIGPIPE if we used it. destroy_buffers(pstdin); close_fd(wpipe_); // Must free read buffers and pipes on destruction // or next call to open()/close() break; } } return child_exited; } /** * Sends the specified signal to the process. A signal can be used to * terminate a child process that would not exit otherwise. * * If an error occurs the error code will be set to one of the possible * errors for @c kill(). See your system's documentation for these errors. * * @param signal A signal to send to the child process. * @return @c this or @c NULL if @c kill() fails. */ template inline basic_pstreambuf* basic_pstreambuf::kill(int signal) { basic_pstreambuf* ret = NULL; if (is_open()) { if (::kill(ppid_, signal)) error_ = errno; else { #if 0 // TODO call exited() to check for exit and clean up? leave to user? if (signal==SIGTERM || signal==SIGKILL) this->exited(); #endif ret = this; } } return ret; } /** * Sends the specified signal to the process group of the child process. * A signal can be used to terminate a child process that would not exit * otherwise, or to kill the process and its own children. * * If an error occurs the error code will be set to one of the possible * errors for @c getpgid() or @c kill(). See your system's documentation * for these errors. If the child is in the current process group then * NULL will be returned and the error code set to EPERM. * * @param signal A signal to send to the child process. * @return @c this on success or @c NULL on failure. */ template inline basic_pstreambuf* basic_pstreambuf::killpg(int signal) { basic_pstreambuf* ret = NULL; #ifdef _POSIX_JOB_CONTROL if (is_open()) { pid_t pgid = ::getpgid(ppid_); if (pgid == -1) error_ = errno; else if (pgid == ::getpgrp()) error_ = EPERM; // Don't commit suicide else if (::killpg(pgid, signal)) error_ = errno; else ret = this; } #else error_ = ENOTSUP; #endif return ret; } /** * This function can call pstreambuf::wait() and so may change the * object's state if the child process has already exited. * * @return True if the associated process has exited, false otherwise. * @see basic_pstreambuf::wait() */ template inline bool basic_pstreambuf::exited() { return ppid_ == 0 || wait(true)==1; } /** * @return The exit status of the child process, or -1 if wait() * has not yet been called to wait for the child to exit. * @see basic_pstreambuf::wait() */ template inline int basic_pstreambuf::status() const { return status_; } /** * @return The error code of the most recently failed operation, or zero. */ template inline int basic_pstreambuf::error() const { return error_; } /** * Closes the output pipe, causing the child process to receive the * end-of-file indicator on subsequent reads from its @c stdin stream. */ template inline void basic_pstreambuf::peof() { sync(); destroy_buffers(pstdin); close_fd(wpipe_); } /** * Unlike pstreambuf::exited(), this function will not call wait() and * so will not change the object's state. This means that once a child * process is executed successfully this function will continue to * return true even after the process exits (until wait() is called.) * * @return true if a previous call to open() succeeded and wait() has * not been called and determined that the process has exited, * false otherwise. */ template inline bool basic_pstreambuf::is_open() const { return ppid_ > 0; } /** * Toggle the stream used for reading. If @a readerr is @c true then the * process' @c stderr output will be used for subsequent extractions, if * @a readerr is false the the process' stdout will be used. * @param readerr @c true to read @c stderr, @c false to read @c stdout. * @return @c true if the requested stream is open and will be used for * subsequent extractions, @c false otherwise. */ template inline bool basic_pstreambuf::read_err(bool readerr) { buf_read_src src = readerr ? rsrc_err : rsrc_out; if (rpipe_[src]>=0) { switch_read_buffer(src); return true; } return false; } /** * Called when the internal character buffer is not present or is full, * to transfer the buffer contents to the pipe. * * @param c a character to be written to the pipe. * @return @c traits_type::eof() if an error occurs, otherwise if @a c * is not equal to @c traits_type::eof() it will be buffered and * a value other than @c traits_type::eof() returned to indicate * success. */ template typename basic_pstreambuf::int_type basic_pstreambuf::overflow(int_type c) { if (!empty_buffer()) return traits_type::eof(); else if (!traits_type::eq_int_type(c, traits_type::eof())) return this->sputc(c); else return traits_type::not_eof(c); } template int basic_pstreambuf::sync() { return !exited() && empty_buffer() ? 0 : -1; } /** * @param s character buffer. * @param n buffer length. * @return the number of characters written. */ template std::streamsize basic_pstreambuf::xsputn(const char_type* s, std::streamsize n) { std::streamsize done = 0; while (done < n) { if (std::streamsize nbuf = this->epptr() - this->pptr()) { nbuf = std::min(nbuf, n - done); traits_type::copy(this->pptr(), s + done, nbuf); this->pbump(nbuf); done += nbuf; } else if (!empty_buffer()) break; } return done; } /** * @return true if the buffer was emptied, false otherwise. */ template bool basic_pstreambuf::empty_buffer() { const std::streamsize count = this->pptr() - this->pbase(); if (count > 0) { const std::streamsize written = this->write(this->wbuffer_, count); if (written > 0) { if (const std::streamsize unwritten = count - written) traits_type::move(this->pbase(), this->pbase()+written, unwritten); this->pbump(-written); return true; } } return false; } /** * Called when the internal character buffer is is empty, to re-fill it * from the pipe. * * @return The first available character in the buffer, * or @c traits_type::eof() in case of failure. */ template typename basic_pstreambuf::int_type basic_pstreambuf::underflow() { if (this->gptr() < this->egptr() || fill_buffer()) return traits_type::to_int_type(*this->gptr()); else return traits_type::eof(); } /** * Attempts to make @a c available as the next character to be read by * @c sgetc(). * * @param c a character to make available for extraction. * @return @a c if the character can be made available, * @c traits_type::eof() otherwise. */ template typename basic_pstreambuf::int_type basic_pstreambuf::pbackfail(int_type c) { if (this->gptr() != this->eback()) { this->gbump(-1); if (!traits_type::eq_int_type(c, traits_type::eof())) *this->gptr() = traits_type::to_char_type(c); return traits_type::not_eof(c); } else return traits_type::eof(); } template std::streamsize basic_pstreambuf::showmanyc() { int avail = 0; if (sizeof(char_type) == 1) avail = fill_buffer(true) ? this->egptr() - this->gptr() : -1; #ifdef FIONREAD else { if (::ioctl(rpipe(), FIONREAD, &avail) == -1) avail = -1; else if (avail) avail /= sizeof(char_type); } #endif return std::streamsize(avail); } /** * @return true if the buffer was filled, false otherwise. */ template bool basic_pstreambuf::fill_buffer(bool non_blocking) { const std::streamsize pb1 = this->gptr() - this->eback(); const std::streamsize pb2 = pbsz; const std::streamsize npb = std::min(pb1, pb2); char_type* const rbuf = rbuffer(); if (npb) traits_type::move(rbuf + pbsz - npb, this->gptr() - npb, npb); std::streamsize rc = -1; if (non_blocking) { const int flags = ::fcntl(rpipe(), F_GETFL); if (flags != -1) { const bool blocking = !(flags & O_NONBLOCK); if (blocking) ::fcntl(rpipe(), F_SETFL, flags | O_NONBLOCK); // set non-blocking error_ = 0; rc = read(rbuf + pbsz, bufsz - pbsz); if (rc == -1 && error_ == EAGAIN) // nothing available rc = 0; else if (rc == 0) // EOF rc = -1; if (blocking) ::fcntl(rpipe(), F_SETFL, flags); // restore } } else rc = read(rbuf + pbsz, bufsz - pbsz); if (rc > 0 || (rc == 0 && non_blocking)) { this->setg( rbuf + pbsz - npb, rbuf + pbsz, rbuf + pbsz + rc ); return true; } else { this->setg(NULL, NULL, NULL); return false; } } /** * Writes up to @a n characters to the pipe from the buffer @a s. * * @param s character buffer. * @param n buffer length. * @return the number of characters written. */ template inline std::streamsize basic_pstreambuf::write(const char_type* s, std::streamsize n) { std::streamsize nwritten = 0; if (wpipe() >= 0) { nwritten = ::write(wpipe(), s, n * sizeof(char_type)); if (nwritten == -1) error_ = errno; else nwritten /= sizeof(char_type); } return nwritten; } /** * Reads up to @a n characters from the pipe to the buffer @a s. * * @param s character buffer. * @param n buffer length. * @return the number of characters read. */ template inline std::streamsize basic_pstreambuf::read(char_type* s, std::streamsize n) { std::streamsize nread = 0; if (rpipe() >= 0) { nread = ::read(rpipe(), s, n * sizeof(char_type)); if (nread == -1) error_ = errno; else nread /= sizeof(char_type); } return nread; } /** @return a reference to the output file descriptor */ template inline pstreams::fd_type& basic_pstreambuf::wpipe() { return wpipe_; } /** @return a reference to the active input file descriptor */ template inline pstreams::fd_type& basic_pstreambuf::rpipe() { return rpipe_[rsrc_]; } /** @return a reference to the specified input file descriptor */ template inline pstreams::fd_type& basic_pstreambuf::rpipe(buf_read_src which) { return rpipe_[which]; } /** @return a pointer to the start of the active input buffer area. */ template inline typename basic_pstreambuf::char_type* basic_pstreambuf::rbuffer() { return rbuffer_[rsrc_]; } /* * member definitions for pstream_common */ /** * @class pstream_common * Abstract Base Class providing common functionality for basic_ipstream, * basic_opstream and basic_pstream. * pstream_common manages the basic_pstreambuf stream buffer that is used * by the derived classes to initialise an iostream class. */ /** Creates an uninitialised stream. */ template inline pstream_common::pstream_common() : std::basic_ios(NULL) , command_() , buf_() { this->std::basic_ios::rdbuf(&buf_); } /** * Initialises the stream buffer by calling * do_open( @a command , @a mode ) * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, pmode) */ template inline pstream_common::pstream_common(const std::string& cmd, pmode mode) : std::basic_ios(NULL) , command_(cmd) , buf_() { this->std::basic_ios::rdbuf(&buf_); do_open(cmd, mode); } /** * Initialises the stream buffer by calling * do_open( @a file , @a argv , @a mode ) * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see do_open(const std::string&, const argv_type&, pmode) */ template inline pstream_common::pstream_common( const std::string& file, const argv_type& argv, pmode mode ) : std::basic_ios(NULL) , command_(file) , buf_() { this->std::basic_ios::rdbuf(&buf_); do_open(file, argv, mode); } /** * This is a pure virtual function to make @c pstream_common abstract. * Because it is the destructor it will be called by derived classes * and so must be defined. It is also protected, to discourage use of * the PStreams classes through pointers or references to the base class. * * @sa If defining a pure virtual seems odd you should read * http://www.gotw.ca/gotw/031.htm (and the rest of the site as well!) */ template inline pstream_common::~pstream_common() { } /** * Calls rdbuf()->open( @a command , @a mode ) * and sets @c failbit on error. * * @param cmd a string containing a shell command. * @param mode the I/O mode to use when opening the pipe. * @see basic_pstreambuf::open(const std::string&, pmode) */ template inline void pstream_common::do_open(const std::string& cmd, pmode mode) { if (!buf_.open((command_=cmd), mode)) this->setstate(std::ios_base::failbit); } /** * Calls rdbuf()->open( @a file, @a argv, @a mode ) * and sets @c failbit on error. * * @param file a string containing the pathname of a program to execute. * @param argv a vector of argument strings passed to the new program. * @param mode the I/O mode to use when opening the pipe. * @see basic_pstreambuf::open(const std::string&, const argv_type&, pmode) */ template inline void pstream_common::do_open( const std::string& file, const argv_type& argv, pmode mode ) { if (!buf_.open((command_=file), argv, mode)) this->setstate(std::ios_base::failbit); } /** Calls rdbuf->close() and sets @c failbit on error. */ template inline void pstream_common::close() { if (!buf_.close()) this->setstate(std::ios_base::failbit); } /** * @return rdbuf()->is_open(). * @see basic_pstreambuf::is_open() */ template inline bool pstream_common::is_open() const { return buf_.is_open(); } /** @return a string containing the command used to initialise the stream. */ template inline const std::string& pstream_common::command() const { return command_; } /** @return a pointer to the private stream buffer member. */ // TODO document behaviour if buffer replaced. template inline typename pstream_common::streambuf_type* pstream_common::rdbuf() const { return const_cast(&buf_); } #if REDI_EVISCERATE_PSTREAMS /** * @def REDI_EVISCERATE_PSTREAMS * If this macro has a non-zero value then certain internals of the * @c basic_pstreambuf template class are exposed. In general this is * a Bad Thing, as the internal implementation is largely undocumented * and may be subject to change at any time, so this feature is only * provided because it might make PStreams useful in situations where * it is necessary to do Bad Things. */ /** * @warning This function exposes the internals of the stream buffer and * should be used with caution. It is the caller's responsibility * to flush streams etc. in order to clear any buffered data. * The POSIX.1 function fdopen(3) is used to obtain the * @c FILE pointers from the streambuf's private file descriptor * members so consult your system's documentation for * fdopen(3). * * @param in A FILE* that will refer to the process' stdin. * @param out A FILE* that will refer to the process' stdout. * @param err A FILE* that will refer to the process' stderr. * @return An OR of zero or more of @c pstdin, @c pstdout, @c pstderr. * * For each open stream shared with the child process a @c FILE* is * obtained and assigned to the corresponding parameter. For closed * streams @c NULL is assigned to the parameter. * The return value can be tested to see which parameters should be * @c !NULL by masking with the corresponding @c pmode value. * * @see fdopen(3) */ template std::size_t basic_pstreambuf::fopen(FILE*& in, FILE*& out, FILE*& err) { in = out = err = NULL; std::size_t open_files = 0; if (wpipe() > -1) { if ((in = ::fdopen(wpipe(), "w"))) { open_files |= pstdin; } } if (rpipe(rsrc_out) > -1) { if ((out = ::fdopen(rpipe(rsrc_out), "r"))) { open_files |= pstdout; } } if (rpipe(rsrc_err) > -1) { if ((err = ::fdopen(rpipe(rsrc_err), "r"))) { open_files |= pstderr; } } return open_files; } /** * @warning This function exposes the internals of the stream buffer and * should be used with caution. * * @param in A FILE* that will refer to the process' stdin. * @param out A FILE* that will refer to the process' stdout. * @param err A FILE* that will refer to the process' stderr. * @return A bitwise-or of zero or more of @c pstdin, @c pstdout, @c pstderr. * @see basic_pstreambuf::fopen() */ template inline std::size_t pstream_common::fopen(FILE*& fin, FILE*& fout, FILE*& ferr) { return buf_.fopen(fin, fout, ferr); } #endif // REDI_EVISCERATE_PSTREAMS } // namespace redi /** * @mainpage PStreams Reference * @htmlinclude mainpage.html */ #endif // REDI_PSTREAM_H_SEEN #endif // WIN32 void PrintErrorAndQuit(const string sErrorString) { cout << sErrorString << endl; exit(1); } template inline T getmin(const T &a, const T &b) { return b void NewArray(A *** array, int Narray1, int Narray2) { *array=new A* [Narray1]; for(int i=0; i void DeleteArray(A *** array, int Narray) { for(int i=0; i &line_vec, const char delimiter=' ') { bool within_word = false; for (size_t pos=0;pos= 0 && idxEnd >= 0) result = inputString.substr(idxBegin, idxEnd + 1 - idxBegin); return result; } size_t get_PDB_lines(const string filename, vector >&PDB_lines, vector &chainID_list, vector &mol_vec, const int ter_opt, const int infmt_opt, const string atom_opt, const int split_opt, const int het_opt) { size_t i=0; // resi i.e. atom index string line; char chainID=0; string resi=""; bool select_atom=false; size_t model_idx=0; vector tmp_str_vec; int compress_type=0; // uncompressed file ifstream fin; #ifndef REDI_PSTREAM_H_SEEN ifstream fin_gz; #else redi::ipstream fin_gz; // if file is compressed if (filename.size()>=3 && filename.substr(filename.size()-3,3)==".gz") { fin_gz.open("gunzip -c '"+filename+"'"); compress_type=1; } else if (filename.size()>=4 && filename.substr(filename.size()-4,4)==".bz2") { fin_gz.open("bzcat '"+filename+"'"); compress_type=2; } else #endif { if (filename=="-") compress_type=-1; else fin.open(filename.c_str()); } if (infmt_opt==0||infmt_opt==-1) // PDB format { while ((compress_type==-1)?cin.good():(compress_type?fin_gz.good():fin.good())) { if (compress_type==-1) getline(cin, line); else if (compress_type) getline(fin_gz, line); else getline(fin, line); if (infmt_opt==-1 && line.compare(0,5,"loop_")==0) // PDBx/mmCIF return get_PDB_lines(filename,PDB_lines,chainID_list, mol_vec, ter_opt, 3, atom_opt, split_opt,het_opt); if (i > 0) { if (ter_opt>=1 && line.compare(0,3,"END")==0) break; else if (ter_opt>=3 && line.compare(0,3,"TER")==0) break; } if (split_opt && line.compare(0,3,"END")==0) chainID=0; if (line.size()>=54 && (line[16]==' ' || line[16]=='A') && ( (line.compare(0, 6, "ATOM ")==0) || (line.compare(0, 6, "HETATM")==0 && het_opt==1) || (line.compare(0, 6, "HETATM")==0 && het_opt==2 && line.compare(17,3, "MSE")==0))) { if (atom_opt=="auto") { if (line[17]==' ' && (line[18]=='D'||line[18]==' ')) select_atom=(line.compare(12,4," C3'")==0); else select_atom=(line.compare(12,4," CA ")==0); } else select_atom=(line.compare(12,4,atom_opt)==0); if (select_atom) { if (!chainID) { chainID=line[21]; model_idx++; stringstream i8_stream; i=0; if (split_opt==2) // split by chain { if (chainID==' ') { if (ter_opt>=1) i8_stream << ":_"; else i8_stream<<':'<=1) i8_stream << ':' << chainID; else i8_stream<<':'<=2 && chainID!=line[21]) break; if (split_opt==2 && chainID!=line[21]) { chainID=line[21]; i=0; stringstream i8_stream; if (chainID==' ') { if (ter_opt>=1) i8_stream << ":_"; else i8_stream<<':'<=1) i8_stream << ':' << chainID; else i8_stream<<':'<>L>>x>>y>>z; getline(cin, line); if (!cin.good()) break; } else if (compress_type) { fin_gz>>L>>x>>y>>z; getline(fin_gz, line); if (!fin_gz.good()) break; } else { fin >>L>>x>>y>>z; getline(fin, line); if (!fin.good()) break; } model_idx++; stringstream i8_stream; i8_stream << ':' << model_idx; chainID_list.push_back(i8_stream.str()); PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); for (i=0;i>x>>y>>z; else if (compress_type) fin_gz>>x>>y>>z; else fin >>x>>y>>z; i8_stream<<"ATOM "<='a' && line[0]<='z') mol_vec.back()++; // RNA else mol_vec.back()--; } } } else if (infmt_opt==3) // PDBx/mmCIF format { bool loop_ = false; // not reading following content map _atom_site; int atom_site_pos; vector line_vec; string alt_id="."; // alternative location indicator string asym_id="."; // this is similar to chainID, except that // chainID is char while asym_id is a string // with possibly multiple char string prev_asym_id=""; string AA=""; // residue name string atom=""; string prev_resi=""; string model_index=""; // the same as model_idx but type is string stringstream i8_stream; while ((compress_type==-1)?cin.good():(compress_type?fin_gz.good():fin.good())) { if (compress_type==-1) getline(cin, line); else if (compress_type) getline(fin_gz, line); else getline(fin, line); if (line.size()==0) continue; if (loop_) loop_ = (line.size()>=2)?(line.compare(0,2,"# ")):(line.compare(0,1,"#")); if (!loop_) { if (line.compare(0,5,"loop_")) continue; while(1) { if (compress_type==-1) { if (cin.good()) getline(cin, line); else PrintErrorAndQuit("ERROR! Unexpected end of -"); } else if (compress_type) { if (fin_gz.good()) getline(fin_gz, line); else PrintErrorAndQuit("ERROR! Unexpected end of "+filename); } else { if (fin.good()) getline(fin, line); else PrintErrorAndQuit("ERROR! Unexpected end of "+filename); } if (line.size()) break; } if (line.compare(0,11,"_atom_site.")) continue; loop_=true; _atom_site.clear(); atom_site_pos=0; _atom_site[Trim(line.substr(11))]=atom_site_pos; while(1) { if (compress_type==-1) getline(cin, line); else if (compress_type) getline(fin_gz, line); else getline(fin, line); if (line.size()==0) continue; if (line.compare(0,11,"_atom_site.")) break; _atom_site[Trim(line.substr(11))]=++atom_site_pos; } if (_atom_site.count("group_PDB")* _atom_site.count("label_atom_id")* _atom_site.count("label_comp_id")* (_atom_site.count("auth_asym_id")+ _atom_site.count("label_asym_id"))* (_atom_site.count("auth_seq_id")+ _atom_site.count("label_seq_id"))* _atom_site.count("Cartn_x")* _atom_site.count("Cartn_y")* _atom_site.count("Cartn_z")==0) { loop_ = false; cerr<<"Warning! Missing one of the following _atom_site data items: group_PDB, label_atom_id, label_comp_id, auth_asym_id/label_asym_id, auth_seq_id/label_seq_id, Cartn_x, Cartn_y, Cartn_z"<=5) continue; AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) continue; if (atom_opt=="auto") { if (AA[0]==' ' && (AA[1]=='D'||AA[1]==' ')) // DNA || RNA select_atom=(atom==" C3'"); else select_atom=(atom==" CA "); } else select_atom=(atom==atom_opt); if (!select_atom) continue; if (_atom_site.count("auth_asym_id")) asym_id=line_vec[_atom_site["auth_asym_id"]]; else asym_id=line_vec[_atom_site["label_asym_id"]]; if (asym_id==".") asym_id=" "; if (_atom_site.count("pdbx_PDB_model_num") && model_index!=line_vec[_atom_site["pdbx_PDB_model_num"]]) { model_index=line_vec[_atom_site["pdbx_PDB_model_num"]]; if (PDB_lines.size() && ter_opt>=1) break; if (PDB_lines.size()==0 || split_opt>=1) { PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); prev_asym_id=asym_id; if (split_opt==1 && ter_opt==0) chainID_list.push_back( ':'+model_index); else if (split_opt==2 && ter_opt==0) chainID_list.push_back(':'+model_index+','+asym_id); else //if (split_opt==2 && ter_opt==1) chainID_list.push_back(':'+asym_id); //else //chainID_list.push_back(""); } } if (prev_asym_id!=asym_id) { if (prev_asym_id!="" && ter_opt>=2) break; if (split_opt>=2) { PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); if (split_opt==1 && ter_opt==0) chainID_list.push_back( ':'+model_index); else if (split_opt==2 && ter_opt==0) chainID_list.push_back(':'+model_index+','+asym_id); else //if (split_opt==2 && ter_opt==1) chainID_list.push_back(':'+asym_id); //else //chainID_list.push_back(""); } } if (prev_asym_id!=asym_id) prev_asym_id=asym_id; if (AA[0]==' ' && (AA[1]=='D'||AA[1]==' ')) mol_vec.back()++; else mol_vec.back()--; if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") resi+=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; else resi+=" "; if (prev_resi==resi) cerr<<"Warning! Duplicated residue "<=1) fin_gz.close(); else if (compress_type==0) fin.close(); line.clear(); if (!split_opt) chainID_list.push_back(""); return PDB_lines.size(); } int read_PDB(const vector &PDB_lines, double **a, char *seq, vector &resi_vec, const int read_resi) { size_t i; for (i=0;i=2) resi_vec.push_back(PDB_lines[i].substr(22,5)+ PDB_lines[i][21]); if (read_resi==1) resi_vec.push_back(PDB_lines[i].substr(22,5)); } seq[i]='\0'; return i; } double dist(double x[3], double y[3]) { double d1=x[0]-y[0]; double d2=x[1]-y[1]; double d3=x[2]-y[2]; return (d1*d1 + d2*d2 + d3*d3); } double dot(double *a, double *b) { return (a[0] * b[0] + a[1] * b[1] + a[2] * b[2]); } void transform(double t[3], double u[3][3], double *x, double *x1) { x1[0]=t[0]+dot(&u[0][0], x); x1[1]=t[1]+dot(&u[1][0], x); x1[2]=t[2]+dot(&u[2][0], x); } void do_rotation(double **x, double **x1, int len, double t[3], double u[3][3]) { for(int i=0; i&chain_list, const string &name, const string &dir_opt, const string &suffix_opt) { ifstream fp(name.c_str()); if (! fp.is_open()) PrintErrorAndQuit(("Can not open file: "+name+'\n').c_str()); string line; while (fp.good()) { getline(fp, line); if (! line.size()) continue; chain_list.push_back(dir_opt+Trim(line)+suffix_opt); } fp.close(); line.clear(); } /* These functions implement d0 normalization. The d0 for final TM-score * output is implemented by parameter_set4final. For both RNA alignment * and protein alignment, using d0 set by parameter_set4search yields * slightly better results during initial alignment-superposition iteration. */ void parameter_set4search(const int xlen, const int ylen, double &D0_MIN, double &Lnorm, double &score_d8, double &d0, double &d0_search, double &dcu0) { //parameter initialization for searching: D0_MIN, Lnorm, d0, d0_search, score_d8 D0_MIN=0.5; dcu0=4.25; //update 3.85-->4.25 Lnorm=getmin(xlen, ylen); //normalize TMscore by this in searching if (Lnorm<=19) //update 15-->19 d0=0.168; //update 0.5-->0.168 else d0=(1.24*pow((Lnorm*1.0-15), 1.0/3)-1.8); D0_MIN=d0+0.8; //this should be moved to above d0=D0_MIN; //update: best for search d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; score_d8=1.5*pow(Lnorm*1.0, 0.3)+3.5; //remove pairs with dis>d8 during search & final } void parameter_set4final_C3prime(const double len, double &D0_MIN, double &Lnorm, double &d0, double &d0_search) { D0_MIN=0.3; Lnorm=len; //normalize TMscore by this in searching if(Lnorm<=11) d0=0.3; else if(Lnorm>11&&Lnorm<=15) d0=0.4; else if(Lnorm>15&&Lnorm<=19) d0=0.5; else if(Lnorm>19&&Lnorm<=23) d0=0.6; else if(Lnorm>23&&Lnorm<30) d0=0.7; else d0=(0.6*pow((Lnorm*1.0-0.5), 1.0/2)-2.5); d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; } void parameter_set4final(const double len, double &D0_MIN, double &Lnorm, double &d0, double &d0_search, const int mol_type) { if (mol_type>0) // RNA { parameter_set4final_C3prime(len, D0_MIN, Lnorm, d0, d0_search); return; } D0_MIN=0.5; Lnorm=len; //normalize TMscore by this in searching if (Lnorm<=21) d0=0.5; else d0=(1.24*pow((Lnorm*1.0-15), 1.0/3)-1.8); if (d08) d0_search=8; if (d0_search<4.5) d0_search=4.5; } void parameter_set4scale(const int len, const double d_s, double &Lnorm, double &d0, double &d0_search) { d0=d_s; Lnorm=len; //normalize TMscore by this in searching d0_search=d0; if (d0_search>8) d0_search=8; if (d0_search<4.5) d0_search=4.5; } /************************************************************************** Implemetation of Kabsch algoritm for finding the best rotation matrix --------------------------------------------------------------------------- x - x(i,m) are coordinates of atom m in set x (input) y - y(i,m) are coordinates of atom m in set y (input) n - n is number of atom pairs (input) mode - 0:calculate rms only (input) 1:calculate u,t only (takes medium) 2:calculate rms,u,t (takes longer) rms - sum of w*(ux+t-y)**2 over all atom pairs (output) u - u(i,j) is rotation matrix for best superposition (output) t - t(i) is translation vector for best superposition (output) **************************************************************************/ bool Kabsch(double **x, double **y, int n, int mode, double *rms, double t[3], double u[3][3]) { int i, j, m, m1, l, k; double e0, rms1, d, h, g; double cth, sth, sqrth, p, det, sigma; double xc[3], yc[3]; double a[3][3], b[3][3], r[3][3], e[3], rr[6], ss[6]; double sqrt3 = 1.73205080756888, tol = 0.01; int ip[] = { 0, 1, 3, 1, 2, 4, 3, 4, 5 }; int ip2312[] = { 1, 2, 0, 1 }; int a_failed = 0, b_failed = 0; double epsilon = 0.00000001; //initialization *rms = 0; rms1 = 0; e0 = 0; double c1[3], c2[3]; double s1[3], s2[3]; double sx[3], sy[3], sz[3]; for (i = 0; i < 3; i++) { s1[i] = 0.0; s2[i] = 0.0; sx[i] = 0.0; sy[i] = 0.0; sz[i] = 0.0; } for (i = 0; i<3; i++) { xc[i] = 0.0; yc[i] = 0.0; t[i] = 0.0; for (j = 0; j<3; j++) { u[i][j] = 0.0; r[i][j] = 0.0; a[i][j] = 0.0; if (i == j) { u[i][j] = 1.0; a[i][j] = 1.0; } } } if (n<1) return false; //compute centers for vector sets x, y for (i = 0; i0) { d = spur*spur; h = d - cof; g = (spur*cof - det) / 2.0 - spur*h; if (h>0) { sqrth = sqrt(h); d = h*h*h - g*g; if (d<0.0) d = 0.0; d = atan2(sqrt(d), -g) / 3.0; cth = sqrth * cos(d); sth = sqrth*sqrt3*sin(d); e[0] = (spur + cth) + cth; e[1] = (spur - cth) + sth; e[2] = (spur - cth) - sth; if (mode != 0) {//compute a for (l = 0; l<3; l = l + 2) { d = e[l]; ss[0] = (d - rr[2]) * (d - rr[5]) - rr[4] * rr[4]; ss[1] = (d - rr[5]) * rr[1] + rr[3] * rr[4]; ss[2] = (d - rr[0]) * (d - rr[5]) - rr[3] * rr[3]; ss[3] = (d - rr[2]) * rr[3] + rr[1] * rr[4]; ss[4] = (d - rr[0]) * rr[4] + rr[1] * rr[3]; ss[5] = (d - rr[0]) * (d - rr[2]) - rr[1] * rr[1]; if (fabs(ss[0]) <= epsilon) ss[0] = 0.0; if (fabs(ss[1]) <= epsilon) ss[1] = 0.0; if (fabs(ss[2]) <= epsilon) ss[2] = 0.0; if (fabs(ss[3]) <= epsilon) ss[3] = 0.0; if (fabs(ss[4]) <= epsilon) ss[4] = 0.0; if (fabs(ss[5]) <= epsilon) ss[5] = 0.0; if (fabs(ss[0]) >= fabs(ss[2])) { j = 0; if (fabs(ss[0]) < fabs(ss[5])) j = 2; } else if (fabs(ss[2]) >= fabs(ss[5])) j = 1; else j = 2; d = 0.0; j = 3 * j; for (i = 0; i<3; i++) { k = ip[i + j]; a[i][l] = ss[k]; d = d + ss[k] * ss[k]; } //if( d > 0.0 ) d = 1.0 / sqrt(d); if (d > epsilon) d = 1.0 / sqrt(d); else d = 0.0; for (i = 0; i<3; i++) a[i][l] = a[i][l] * d; }//for l d = a[0][0] * a[0][2] + a[1][0] * a[1][2] + a[2][0] * a[2][2]; if ((e[0] - e[1]) >(e[1] - e[2])) { m1 = 2; m = 0; } else { m1 = 0; m = 2; } p = 0; for (i = 0; i<3; i++) { a[i][m1] = a[i][m1] - d*a[i][m]; p = p + a[i][m1] * a[i][m1]; } if (p <= tol) { p = 1.0; for (i = 0; i<3; i++) { if (p < fabs(a[i][m])) continue; p = fabs(a[i][m]); j = i; } k = ip2312[j]; l = ip2312[j + 1]; p = sqrt(a[k][m] * a[k][m] + a[l][m] * a[l][m]); if (p > tol) { a[j][m1] = 0.0; a[k][m1] = -a[l][m] / p; a[l][m1] = a[k][m] / p; } else a_failed = 1; }//if p<=tol else { p = 1.0 / sqrt(p); for (i = 0; i<3; i++) a[i][m1] = a[i][m1] * p; }//else p<=tol if (a_failed != 1) { a[0][1] = a[1][2] * a[2][0] - a[1][0] * a[2][2]; a[1][1] = a[2][2] * a[0][0] - a[2][0] * a[0][2]; a[2][1] = a[0][2] * a[1][0] - a[0][0] * a[1][2]; } }//if(mode!=0) }//h>0 //compute b anyway if (mode != 0 && a_failed != 1)//a is computed correctly { //compute b for (l = 0; l<2; l++) { d = 0.0; for (i = 0; i<3; i++) { b[i][l] = r[i][0] * a[0][l] + r[i][1] * a[1][l] + r[i][2] * a[2][l]; d = d + b[i][l] * b[i][l]; } //if( d > 0 ) d = 1.0 / sqrt(d); if (d > epsilon) d = 1.0 / sqrt(d); else d = 0.0; for (i = 0; i<3; i++) b[i][l] = b[i][l] * d; } d = b[0][0] * b[0][1] + b[1][0] * b[1][1] + b[2][0] * b[2][1]; p = 0.0; for (i = 0; i<3; i++) { b[i][1] = b[i][1] - d*b[i][0]; p += b[i][1] * b[i][1]; } if (p <= tol) { p = 1.0; for (i = 0; i<3; i++) { if (p tol) { b[j][1] = 0.0; b[k][1] = -b[l][0] / p; b[l][1] = b[k][0] / p; } else b_failed = 1; }//if( p <= tol ) else { p = 1.0 / sqrt(p); for (i = 0; i<3; i++) b[i][1] = b[i][1] * p; } if (b_failed != 1) { b[0][2] = b[1][0] * b[2][1] - b[1][1] * b[2][0]; b[1][2] = b[2][0] * b[0][1] - b[2][1] * b[0][0]; b[2][2] = b[0][0] * b[1][1] - b[0][1] * b[1][0]; //compute u for (i = 0; i<3; i++) for (j = 0; j<3; j++) u[i][j] = b[i][0] * a[j][0] + b[i][1] * a[j][1] + b[i][2] * a[j][2]; } //compute t for (i = 0; i<3; i++) t[i] = ((yc[i] - u[i][0] * xc[0]) - u[i][1] * xc[1]) - u[i][2] * xc[2]; }//if(mode!=0 && a_failed!=1) }//spur>0 else //just compute t and errors { //compute t for (i = 0; i<3; i++) t[i] = ((yc[i] - u[i][0] * xc[0]) - u[i][1] * xc[1]) - u[i][2] * xc[2]; }//else spur>0 //compute rms for (i = 0; i<3; i++) { if (e[i] < 0) e[i] = 0; e[i] = sqrt(e[i]); } d = e[2]; if (sigma < 0.0) d = -d; d = (d + e[1]) + e[0]; if (mode == 2 || mode == 0) { rms1 = (e0 - d) - d; if (rms1 < 0.0) rms1 = 0.0; } *rms = rms1; return true; } /* This matrix contains two scoring matrices: * [1] BLOSUM62 for protein is defined for upper case letters: * ABCDEFGHIKLMNOPQRSTVWXYZ* excluding J * The original BLOSUM does not have O (PYL) and U (SEC). * In this matrix, OU values are copied from K and C, respectively. * [2] BLASTN for RNA/DNA is defined for lower case letters: * acgtu where matching (including t vs u) is 2 and mismatching is -3 */ const int BLOSUM[128][128]={ //0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 51 53 54 55 56 57 58 59 60 61 62 63 64 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},//123 { { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},//124 | { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},//125 } { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},//126 ~ { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},//127 DEL }; const int gapopen_blosum62=-11; const int gapext_blosum62=-1; const int gapopen_blastn=-15; //-5; const int gapext_blastn =-4; //-2; /* initialize matrix in gotoh algorithm */ void init_gotoh_mat(int **S, int **JumpH, int **JumpV, int **P, int **H, int **V, const int xlen, const int ylen, const int gapopen, const int gapext, const int glocal=0, const int alt_init=1) { // fill first row/colum of JumpH,jumpV and path matrix P int i,j; for (i=0;i=aln_score) { max_aln_i=i; max_aln_j=j; aln_score=S[i][j]; } } } // reset all path after [max_aln_i][max_aln_j] for (i=max_aln_i+1;i0 * 1 : \ match-mismatch * 2 : | vertical gap (insertion) * 4 : - horizontal gap (deletion) * JumpH - horizontal long gap number. * JumpV - vertical long gap number. * all matrices are in the size of [len(seqx)+1]*[len(seqy)+1] * * glocal - global or local alignment * 0 : global alignment (Needleman-Wunsch dynamic programming) * 1 : glocal-query alignment * 2 : glocal-both alignment * 3 : local alignment (Smith-Waterman dynamic programming) * * alt_init - whether to adopt alternative matrix initialization * 1 : use wei zheng's matrix initialization * 0 : use yang zhang's matrix initialization, does NOT work * for glocal alignment */ int calculate_score_gotoh(const int xlen,const int ylen, int **S, int** JumpH, int** JumpV, int **P, const int gapopen,const int gapext, const int glocal=0, const int alt_init=1) { int **H; int **V; NewArray(&H,xlen+1,ylen+1); // penalty score for horizontal long gap NewArray(&V,xlen+1,ylen+1); // penalty score for vertical long gap // fill first row/colum of JumpH,jumpV and path matrix P int i,j; init_gotoh_mat(S, JumpH, JumpV, P, H, V, xlen, ylen, gapopen, gapext, glocal, alt_init); // fill S and P int diag_score,left_score,up_score; for (i=1;i=3) { H[i][j]=MAX(S[i][j-1]+gapopen,H[i][j-1]+gapext); JumpH[i][j]=(H[i][j]==H[i][j-1]+gapext)?(JumpH[i][j-1]+1):1; } else { H[i][j]=MAX(S[i][j-1],H[i][j-1]); JumpH[i][j]=(H[i][j]==H[i][j-1])?(JumpH[i][j-1]+1):1; } // penalty of consective insertion if (glocal<2 || j=3) { V[i][j]=MAX(S[i-1][j]+gapopen,V[i-1][j]+gapext); JumpV[i][j]=(V[i][j]==V[i-1][j]+gapext)?(JumpV[i-1][j]+1):1; } else { V[i][j]=MAX(S[i-1][j],V[i-1][j]); JumpV[i][j]=(V[i][j]==V[i-1][j])?(JumpV[i-1][j]+1):1; } diag_score=S[i-1][j-1]+S[i][j]; // match-mismatch '\' left_score=H[i][j]; // deletion '-' up_score =V[i][j]; // insertion '|' if (diag_score>=left_score && diag_score>=up_score) { S[i][j]=diag_score; P[i][j]+=1; } if (up_score>=diag_score && up_score>=left_score) { S[i][j]=up_score; P[i][j]+=2; } if (left_score>=diag_score && left_score>=up_score) { S[i][j]=left_score; P[i][j]+=4; } if (glocal>=3 && S[i][j]<0) { S[i][j]=0; P[i][j]=0; H[i][j]=0; V[i][j]=0; JumpH[i][j]=0; JumpV[i][j]=0; } } } int aln_score=S[xlen][ylen]; // re-fill first row/column of path matrix P for back-tracing for (i=1;i0) P[i][0]=2; // | for (j=1;j0) P[0][j]=4; // - // calculate alignment score and alignment path for swalign if (glocal>=3) find_highest_align_score(S,P,aln_score,xlen,ylen); // release memory DeleteArray(&H,xlen+1); DeleteArray(&V,xlen+1); return aln_score; // final alignment score } /* trace back dynamic programming path to diciper pairwise alignment */ void trace_back_gotoh(const char *seqx, const char *seqy, int ** JumpH, int ** JumpV, int ** P, string& seqxA, string& seqyA, const int xlen, const int ylen, int *invmap, const int invmap_only=1) { int i,j; int gaplen,p; char *buf=NULL; if (invmap_only) for (j = 0; j < ylen; j++) invmap[j] = -1; if (invmap_only!=1) buf=new char [MAX(xlen,ylen)+1]; i=xlen; j=ylen; while(i+j) { gaplen=0; if (P[i][j]>=4) { gaplen=JumpH[i][j]; j-=gaplen; if (invmap_only==1) continue; strncpy(buf,seqy+j,gaplen); buf[gaplen]=0; seqyA=buf+seqyA; for (p=0;p= 2) { gaplen=JumpV[i][j]; i-=gaplen; if (invmap_only==1) continue; strncpy(buf,seqx+i,gaplen); buf[gaplen]=0; seqxA=buf+seqxA; for (p=0;p=0;i--) { for (j=ylen;j>=0;j--) { if (P[i][j]!=0) { found_start_cell=true; break; } } if (found_start_cell) break; } /* copy C terminal sequence */ if (invmap_only!=1) { for (p=0;p=4) { gaplen=JumpH[i][j]; j-=gaplen; if (invmap_only==1) continue; strncpy(buf,seqy+j,gaplen); buf[gaplen]=0; seqyA=buf+seqyA; for (p=0;p= 2) { gaplen=JumpV[i][j]; i-=gaplen; if (invmap_only==1) continue; strncpy(buf,seqx+i,gaplen); buf[gaplen]=0; seqxA=buf+seqxA; for (p=0;p0) // RNA or DNA { gapopen=gapopen_blastn; gapext =gapext_blastn; if (glocal==3) { gapopen=-5; gapext =-2; } } for (i=0;i &sequence, char *seqx, char *seqy, const vector resi_vec1, const vector resi_vec2, const int byresi_opt) { sequence.clear(); sequence.push_back(""); sequence.push_back(""); int i1=0; // positions in resi_vec1 int i2=0; // positions in resi_vec2 int xlen=resi_vec1.size(); int ylen=resi_vec2.size(); if (byresi_opt==4 || byresi_opt==5) // global or glocal sequence alignment { int *invmap; int glocal=0; if (byresi_opt==5) glocal=2; int mol_type=0; for (i1=0;i1 chainID_map1; map chainID_map2; if (byresi_opt==3) { vector chainID_vec; string chainID; stringstream ss; int i; for (i=0;i().swap(chainID_vec); } string chainID1=""; string chainID2=""; string chainID1_prev=""; string chainID2_prev=""; while(i1 atoi(resi_vec2[i2].substr(0,4).c_str())) { sequence[0]+='-'; sequence[1]+=seqy[i2++]; } else { sequence[0]+=seqx[i1++]; sequence[1]+=seqy[i2++]; } chainID1_prev=chainID1; chainID2_prev=chainID2; } else { if (chainID1_prev==chainID1 && chainID2_prev!=chainID2) { sequence[0]+=seqx[i1++]; sequence[1]+='-'; chainID1_prev=chainID1; } else if (chainID1_prev!=chainID1 && chainID2_prev==chainID2) { sequence[0]+='-'; sequence[1]+=seqy[i2++]; chainID2_prev=chainID2; } else { sequence[0]+=seqx[i1++]; sequence[1]+=seqy[i2++]; chainID1_prev=chainID1; chainID2_prev=chainID2; } } } map().swap(chainID_map1); map().swap(chainID_map2); chainID1.clear(); chainID2.clear(); chainID1_prev.clear(); chainID2_prev.clear(); return sequence[0].size(); } // 1, collect those residues with dis3) { inc++; double dinc=(d+inc*0.5); d_tmp = dinc * dinc; } else break; } *score1=score_sum/Lnorm; return n_cut; } int score_fun8_standard(double **xa, double **ya, int n_ali, double d, int i_ali[], double *score1, int score_sum_method, double score_d8, double d0) { double score_sum = 0, di; double d_tmp = d*d; double d02 = d0*d0; double score_d8_cut = score_d8*score_d8; int i, n_cut, inc = 0; while (1) { n_cut = 0; score_sum = 0; for (i = 0; i3) { inc++; double dinc = (d + inc*0.5); d_tmp = dinc * dinc; } else break; } *score1 = score_sum / n_ali; return n_cut; } double TMscore8_search(double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double Lnorm, double score_d8, double d0) { int i, m; double score_max, score, rmsd; const int kmax=Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it=20; //maximum number of iterations int n_init_max=6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min=4; if(Laliscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } //try to extend the alignment iteratively d = local_d0_search + 1; for(int it=0; itscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } //check if it converges if(n_cut==ka) { for(k=0; kiL_max) i=iL_max; //do this to use the last missed fragment } else if(i>=iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } double TMscore8_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double score_d8, double d0) { int i, m; double score_max, score, rmsd; const int kmax = Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it = 20; //maximum number of iterations int n_init_max = 6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min = 4; if (Laliscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } //try to extend the alignment iteratively d = local_d0_search + 1; for (int it = 0; itscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } //check if it converges if (n_cut == ka) { for (k = 0; kiL_max) i = iL_max; //do this to use the last missed fragment } else if (i >= iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } double detailed_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, double **x, double **y, int xlen, int ylen, int invmap0[], double t[3], double u[3][3], int simplify_step, int score_sum_method, double local_d0_search, const bool& bNormalize, double Lnorm, double score_d8, double d0) { //x is model, y is template, try to superpose onto y int i, j, k; double tmscore; double rmsd; k=0; for(i=0; i=0) //aligned { xtm[k][0]=x[j][0]; xtm[k][1]=x[j][1]; xtm[k][2]=x[j][2]; ytm[k][0]=y[i][0]; ytm[k][1]=y[i][1]; ytm[k][2]=y[i][2]; k++; } } //detailed search 40-->1 tmscore = TMscore8_search_standard( r1, r2, xtm, ytm, xt, k, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, score_d8, d0); if (bNormalize)// "-i", to use standard_TMscore, then bNormalize=true, else bNormalize=false; tmscore = tmscore * k / Lnorm; return tmscore; } void smooth(int *sec, int len) { int i, j; //smooth single --x-- => ----- for (i=2; i ------ for (i=0; i&resi_vec1, const vector&resi_vec2, const string chainID1, const string chainID2) { int compress_type=0; // uncompressed file ifstream fin; #ifndef REDI_PSTREAM_H_SEEN ifstream fin_gz; #else redi::ipstream fin_gz; // if file is compressed if (xname.size()>=3 && xname.substr(xname.size()-3,3)==".gz") { fin_gz.open("gunzip -c "+xname); compress_type=1; } else if (xname.size()>=4 && xname.substr(xname.size()-4,4)==".bz2") { fin_gz.open("bzcat "+xname); compress_type=2; } else #endif fin.open(xname.c_str()); stringstream buf; stringstream buf_pymol; string line; double x[3]; // before transform double x1[3]; // after transform /* for PDBx/mmCIF only */ map _atom_site; size_t atom_site_pos; vector line_vec; int infmt=-1; // 0 - PDB, 3 - PDBx/mmCIF while (compress_type?fin_gz.good():fin.good()) { if (compress_type) getline(fin_gz, line); else getline(fin, line); if (line.compare(0, 6, "ATOM ")==0 || line.compare(0, 6, "HETATM")==0) // PDB format { infmt=0; x[0]=atof(line.substr(30,8).c_str()); x[1]=atof(line.substr(38,8).c_str()); x[2]=atof(line.substr(46,8).c_str()); if (mirror_opt) x[2]=-x[2]; transform(t, u, x, x1); buf<=1 && line.compare(0,3,"END")==0) break; } } if (compress_type) fin_gz.close(); else fin.close(); string fname_super_full=fname_super; if (infmt==0) fname_super_full+=".pdb"; else if (infmt==3) fname_super_full+=".cif"; ofstream fp; fp.open(fname_super_full.c_str()); fp<=1) // align one chain from model 1 { chain1_sele=" and c. "+chainID1.substr(1); chain2_sele=" and c. "+chainID2.substr(1); } else if (split_opt==2 && ter_opt==0) // align one chain from each model { for (i=1;i pml_list; pml_list.push_back(fname_super+""); pml_list.push_back(fname_super+"_atm"); pml_list.push_back(fname_super+"_all"); pml_list.push_back(fname_super+"_all_atm"); pml_list.push_back(fname_super+"_all_atm_lig"); for (int p=0;p&resi_vec1, const vector&resi_vec2, const string chainID1, const string chainID2, const int xlen, const int ylen, const double d0A, const int n_ali8, const double rmsd, const double TM1, const double Liden) { stringstream buf; stringstream buf_all; stringstream buf_atm; stringstream buf_all_atm; stringstream buf_all_atm_lig; //stringstream buf_pdb; stringstream buf_tm; string line; double x[3]; // before transform double x1[3]; // after transform bool after_ter; // true if passed the "TER" line in PDB string asym_id; // chain ID buf_tm<<"REMARK US-align" <<"\nREMARK Structure 1:"<=1) // align one chain from model 1 { chain1_sele=chainID1.substr(1); chain2_sele=chainID2.substr(1); } else if (split_opt==2 && ter_opt==0) // align one chain from each model { for (i=1;i _atom_site; int atom_site_pos; vector line_vec; string atom; // 4-character atom name string AA; // 3-character residue name string resi; // 4-character residue sequence number string inscode; // 1-character insertion code string model_index; // model index bool is_mmcif=false; /* used for CONECT record of chain1 */ int ca_idx1=0; // all CA atoms int lig_idx1=0; // all atoms vector idx_vec; /* used for CONECT record of chain2 */ int ca_idx2=0; // all CA atoms int lig_idx2=0; // all atoms /* extract aligned region */ vector resi_aln1; vector resi_aln2; int i1=-1; int i2=-1; if (!mm_opt) { for (i=0;i=3 && line.compare(0,3,"TER")==0) after_ter=true; if (is_mmcif==false && line.size()>=54 && (line.compare(0, 6, "ATOM ")==0 || line.compare(0, 6, "HETATM")==0)) // PDB format { if (line[16]!='A' && line[16]!=' ') continue; x[0]=atof(line.substr(30,8).c_str()); x[1]=atof(line.substr(38,8).c_str()); x[2]=atof(line.substr(46,8).c_str()); if (mirror_opt) x[2]=-x[2]; transform(t, u, x, x1); //buf_pdb<=2) { if (ca_idx1 && asym_id.size() && asym_id!=line.substr(21,1)) { after_ter=true; continue; } asym_id=line[21]; } buf_all_atm<<"ATOM "<=5) atom=atom.substr(0,4); AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) AA=AA.substr(0,3); if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; while (resi.size()<4) resi=' '+resi; if (resi.size()>4) resi=resi.substr(0,4); inscode=' '; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") inscode=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; if (_atom_site.count("auth_asym_id")) { if (chain1_sele.size()) after_ter =line_vec[_atom_site["auth_asym_id"]]!=chain1_sele; else if (ter_opt>=2 && ca_idx1 && asym_id.size() && asym_id!=line_vec[_atom_site["auth_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["auth_asym_id"]]; } else if (_atom_site.count("label_asym_id")) { if (chain1_sele.size()) after_ter =line_vec[_atom_site["label_asym_id"]]!=chain1_sele; if (ter_opt>=2 && ca_idx1 && asym_id.size() && asym_id!=line_vec[_atom_site["label_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["label_asym_id"]]; } //buf_pdb<=1 && line.compare(0,3,"END")==0) break; } } fin.close(); if (!mm_opt) buf<<"TER\n"; buf_all<<"TER\n"; if (!mm_opt) buf_atm<<"TER\n"; buf_all_atm<<"TER\n"; buf_all_atm_lig<<"TER\n"; for (i=1;i=3 && line.compare(0,3,"TER")==0) after_ter=true; if (line.size()>=54 && (line.compare(0, 6, "ATOM ")==0 || line.compare(0, 6, "HETATM")==0)) // PDB format { if (line[16]!='A' && line[16]!=' ') continue; if (after_ter && line.compare(0,6,"ATOM ")==0) continue; lig_idx2++; buf_all_atm_lig<=2) { if (ca_idx2 && asym_id.size() && asym_id!=line.substr(21,1)) { after_ter=true; continue; } asym_id=line[21]; } buf_all_atm<<"ATOM "<=5) atom=atom.substr(0,4); AA=line_vec[_atom_site["label_comp_id"]]; // residue name if (AA.size()==1) AA=" "+AA; else if (AA.size()==2) AA=" " +AA; else if (AA.size()>=4) AA=AA.substr(0,3); if (_atom_site.count("auth_seq_id")) resi=line_vec[_atom_site["auth_seq_id"]]; else resi=line_vec[_atom_site["label_seq_id"]]; while (resi.size()<4) resi=' '+resi; if (resi.size()>4) resi=resi.substr(0,4); inscode=' '; if (_atom_site.count("pdbx_PDB_ins_code") && line_vec[_atom_site["pdbx_PDB_ins_code"]]!="?") inscode=line_vec[_atom_site["pdbx_PDB_ins_code"]][0]; if (_atom_site.count("auth_asym_id")) { if (chain2_sele.size()) after_ter =line_vec[_atom_site["auth_asym_id"]]!=chain2_sele; if (ter_opt>=2 && ca_idx2 && asym_id.size() && asym_id!=line_vec[_atom_site["auth_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["auth_asym_id"]]; } else if (_atom_site.count("label_asym_id")) { if (chain2_sele.size()) after_ter =line_vec[_atom_site["label_asym_id"]]!=chain2_sele; if (ter_opt>=2 && ca_idx2 && asym_id.size() && asym_id!=line_vec[_atom_site["label_asym_id"]]) after_ter=true; asym_id=line_vec[_atom_site["label_asym_id"]]; } if (after_ter==false || line_vec[_atom_site["group_PDB"]]=="HETATM") { lig_idx2++; buf_all_atm_lig<=1 && line.compare(0,3,"END")==0) break; } } fin.close(); if (!mm_opt) buf<<"TER\n"; buf_all<<"TER\n"; if (!mm_opt) buf_atm<<"TER\n"; buf_all_atm<<"TER\n"; buf_all_atm_lig<<"TER\n"; for (i=ca_idx1+1;i pml_list; pml_list.push_back(fname_super+""); pml_list.push_back(fname_super+"_atm"); pml_list.push_back(fname_super+"_all"); pml_list.push_back(fname_super+"_all_atm"); pml_list.push_back(fname_super+"_all_atm_lig"); for (i=0;i0) // RNA { if (Lnorm<=11) d0=0.3; else if(Lnorm>11 && Lnorm<=15) d0=0.4; else if(Lnorm>15 && Lnorm<=19) d0=0.5; else if(Lnorm>19 && Lnorm<=23) d0=0.6; else if(Lnorm>23 && Lnorm<30) d0=0.7; else d0=(0.6*pow((Lnorm*1.0-0.5), 1.0/2)-2.5); } else { if (Lnorm > 21) d0=(1.24*pow((Lnorm*1.0-15), 1.0/3) -1.8); else d0 = D0_MIN; if (d0 < D0_MIN) d0 = D0_MIN; } double d0_input = d0;// Scaled by seq_min double tmscore;// collected alined residues from invmap int n_al = 0; int i; for (int j = 0; j= 0) { xtm[n_al][0] = x[i][0]; xtm[n_al][1] = x[i][1]; xtm[n_al][2] = x[i][2]; ytm[n_al][0] = y[j][0]; ytm[n_al][1] = y[j][1]; ytm[n_al][2] = y[j][2]; r1[n_al][0] = x[i][0]; r1[n_al][1] = x[i][1]; r1[n_al][2] = x[i][2]; r2[n_al][0] = y[j][0]; r2[n_al][1] = y[j][1]; r2[n_al][2] = y[j][2]; n_al++; } else if (i != -1) PrintErrorAndQuit("Wrong map!\n"); } L_ali = n_al; Kabsch(r1, r2, n_al, 0, &RMSD, t, u); RMSD = sqrt( RMSD/(1.0*n_al) ); int temp_simplify_step = 1; int temp_score_sum_method = 0; d0_search = d0_input; double rms = 0.0; tmscore = TMscore8_search_standard(r1, r2, xtm, ytm, xt, n_al, t, u, temp_simplify_step, temp_score_sum_method, &rms, d0_input, score_d8, d0); tmscore = tmscore * n_al / (1.0*Lnorm); return tmscore; } /* calculate approximate TM-score given rotation matrix */ double approx_TM(const int xlen, const int ylen, const int a_opt, double **xa, double **ya, double t[3], double u[3][3], const int invmap0[], const int mol_type) { double Lnorm_0=ylen; // normalized by the second protein if (a_opt==-2 && xlen>ylen) Lnorm_0=xlen; // longer else if (a_opt==-1 && xlen=0)//aligned { transform(t, u, &xa[i][0], &xtmp[0]); d=sqrt(dist(&xtmp[0], &ya[j][0])); TMtmp+=1/(1+(d/d0)*(d/d0)); //if (d <= score_d8) TMtmp+=1/(1+(d/d0)*(d/d0)); } } TMtmp/=Lnorm_0; return TMtmp; } void clean_up_after_approx_TM(int *invmap0, int *invmap, double **score, bool **path, double **val, double **xtm, double **ytm, double **xt, double **r1, double **r2, const int xlen, const int minlen) { delete [] invmap0; delete [] invmap; DeleteArray(&score, xlen+1); DeleteArray(&path, xlen+1); DeleteArray(&val, xlen+1); DeleteArray(&xtm, minlen); DeleteArray(&ytm, minlen); DeleteArray(&xt, xlen); DeleteArray(&r1, minlen); DeleteArray(&r2, minlen); return; } int score_fun8( double **xa, double **ya, int n_ali, double d, int i_ali[], double *score1, int score_sum_method, const double Lnorm, const double score_d8, const double d0, double GDT_list_tmp[5], double &maxsub_tmp) { double score_sum=0, di; double d_tmp=d*d; double d02=d0*d0; double score_d8_cut = score_d8*score_d8; int i, n_cut, inc=0; while(1) { for (i=0;i<5;i++) GDT_list_tmp[i]=0; maxsub_tmp=0; n_cut=0; score_sum=0; for(i=0; i3) { inc++; double dinc=(d+inc*0.5); d_tmp = dinc * dinc; } else break; } *score1=score_sum/Lnorm; return n_cut; } int score_fun8_standard(double **xa, double **ya, int n_ali, double d, int i_ali[], double *score1, int score_sum_method, double score_d8, double d0, double GDT_list_tmp[5], double &maxsub_tmp) { double score_sum = 0, di; double d_tmp = d*d; double d02 = d0*d0; double score_d8_cut = score_d8*score_d8; int i, n_cut, inc = 0; while (1) { for (i=0;i<5;i++) GDT_list_tmp[i]=0; maxsub_tmp=0; n_cut = 0; score_sum = 0; for (i = 0; i3) { inc++; double dinc = (d + inc*0.5); d_tmp = dinc * dinc; } else break; } *score1 = score_sum / n_ali; return n_cut; } double TMscore8_search(double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double Lnorm, double score_d8, double d0, double GDT_list[5], double &maxsub) { double GDT_list_tmp[5]={0,0,0,0,0}; double maxsub_tmp=0; int i, m; double score_max, score, rmsd; const int kmax=Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it=20; //maximum number of iterations int n_init_max=6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min=4; if(Laliscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } if (maxsub_tmp>maxsub) maxsub=maxsub_tmp; for (k=0;k<5;k++) if (GDT_list_tmp[k]>GDT_list[k]) GDT_list[k]=GDT_list_tmp[k]; //try to extend the alignment iteratively d = local_d0_search + 1; for(int it=0; itscore_max) { score_max=score; //save the rotation matrix for(k=0; k<3; k++) { t0[k]=t[k]; u0[k][0]=u[k][0]; u0[k][1]=u[k][1]; u0[k][2]=u[k][2]; } } if (maxsub_tmp>maxsub) maxsub=maxsub_tmp; for (k=0;k<5;k++) if (GDT_list_tmp[k]>GDT_list[k]) GDT_list[k]=GDT_list_tmp[k]; //check if it converges if(n_cut==ka) { for(k=0; kiL_max) i=iL_max; //do this to use the last missed fragment } else if(i>=iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } double TMscore8_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, int Lali, double t0[3], double u0[3][3], int simplify_step, int score_sum_method, double *Rcomm, double local_d0_search, double score_d8, double d0, double GDT_list[5], double &maxsub) { double GDT_list_tmp[5]={0,0,0,0,0}; double maxsub_tmp=0; int i, m; double score_max, score, rmsd; const int kmax = Lali; int k_ali[kmax], ka, k; double t[3]; double u[3][3]; double d; //iterative parameters int n_it = 20; //maximum number of iterations int n_init_max = 6; //maximum number of different fragment length int L_ini[n_init_max]; //fragment lengths, Lali, Lali/2, Lali/4 ... 4 int L_ini_min = 4; if (Laliscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } if (maxsub_tmp>maxsub) maxsub=maxsub_tmp; for (k=0;k<5;k++) if (GDT_list_tmp[k]>GDT_list[k]) GDT_list[k]=GDT_list_tmp[k]; //try to extend the alignment iteratively d = local_d0_search + 1; for (int it = 0; itscore_max) { score_max = score; //save the rotation matrix for (k = 0; k<3; k++) { t0[k] = t[k]; u0[k][0] = u[k][0]; u0[k][1] = u[k][1]; u0[k][2] = u[k][2]; } } if (maxsub_tmp>maxsub) maxsub=maxsub_tmp; for (k=0;k<5;k++) if (GDT_list_tmp[k]>GDT_list[k]) GDT_list[k]=GDT_list_tmp[k]; //check if it converges if (n_cut == ka) { for (k = 0; kiL_max) i = iL_max; //do this to use the last missed fragment } else if (i >= iL_max) break; }//while(1) //end of one fragment }//for(i_init return score_max; } double detailed_search_standard( double **r1, double **r2, double **xtm, double **ytm, double **xt, double **x, double **y, int xlen, int ylen, int invmap0[], double t[3], double u[3][3], int simplify_step, int score_sum_method, double local_d0_search, const bool& bNormalize, double Lnorm, double score_d8, double d0, double GDT_list[5], double &maxsub) { //x is model, y is template, try to superpose onto y int i, j, k; double tmscore; double rmsd; k=0; for(i=0; i=0) //aligned { xtm[k][0]=x[j][0]; xtm[k][1]=x[j][1]; xtm[k][2]=x[j][2]; ytm[k][0]=y[i][0]; ytm[k][1]=y[i][1]; ytm[k][2]=y[i][2]; k++; } } //detailed search 40-->1 tmscore = TMscore8_search_standard( r1, r2, xtm, ytm, xt, k, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, score_d8, d0, GDT_list, maxsub); if (bNormalize)// "-i", to use standard_TMscore, then bNormalize=true, else bNormalize=false; tmscore = tmscore * k / Lnorm; return tmscore; } /* Entry function for TM-score. Return TM-score calculation status: * 0 - full TM-score calculation * 1 - terminated due to exception * 2-7 - pre-terminated due to low TM-score */ int TMscore_main(double **xa, double **ya, const char *seqx, const char *seqy, double t0[3], double u0[3][3], double &TM1, double &TM2, double &TM3, double &TM4, double &TM5, double &d0_0, double &TM_0, double &d0A, double &d0B, double &d0u, double &d0a, double &d0_out, string &seqM, string &seqxA, string &seqyA, double &rmsd0, int &L_ali, double &Liden, double &TM_ali, double &rmsd_ali, int &n_ali, int &n_ali8, const int xlen, const int ylen, const vector sequence, const double Lnorm_ass, const double d0_scale, const int a_opt, const bool u_opt, const bool d_opt, const bool fast_opt, const int mol_type, double GDT_list[5], double &maxsub, const double TMcut=-1) { double D0_MIN; //for d0 double Lnorm; //normalization length double score_d8,d0,d0_search,dcu0;//for TMscore search double t[3], u[3][3]; //Kabsch translation vector and rotation matrix double **score; // Input score table for dynamic programming bool **path; // for dynamic programming double **val; // for dynamic programming double **xtm, **ytm; // for TMscore search engine double **xt; //for saving the superposed version of r_1 or xtm double **r1, **r2; // for Kabsch rotation /***********************/ /* allocate memory */ /***********************/ int minlen = min(xlen, ylen); NewArray(&score, xlen+1, ylen+1); NewArray(&path, xlen+1, ylen+1); NewArray(&val, xlen+1, ylen+1); NewArray(&xtm, minlen, 3); NewArray(&ytm, minlen, 3); NewArray(&xt, xlen, 3); NewArray(&r1, minlen, 3); NewArray(&r2, minlen, 3); /***********************/ /* parameter set */ /***********************/ parameter_set4search(xlen, ylen, D0_MIN, Lnorm, score_d8, d0, d0_search, dcu0); int simplify_step = 40; //for simplified search engine int score_sum_method = 8; //for scoring method, whether only sum over pairs with dis= ylen || i1 >= xlen) kk1 = L; else if (sequence[0][kk1] != '-') invmap[i2] = i1; } } //--------------- 2. Align proteins from original alignment double prevD0_MIN = D0_MIN;// stored for later use int prevLnorm = Lnorm; double prevd0 = d0; TM_ali = standard_TMscore(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, L_ali, rmsd_ali, D0_MIN, Lnorm, d0, d0_search, score_d8, t, u, mol_type); D0_MIN = prevD0_MIN; Lnorm = prevLnorm; d0 = prevd0; TM = detailed_search_standard(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap, t, u, 40, 8, local_d0_search, true, Lnorm, score_d8, d0); if (TM > TMmax) { TMmax = TM; for (i = 0; i=0) { flag=true; break; } } if(!flag) { cout << "There is no alignment between the two proteins! " << "Program stop with no result!" << endl; return 1; } /* last TM-score pre-termination */ if (TMcut>0) { double TMtmp=approx_TM(xlen, ylen, a_opt, xa, ya, t0, u0, invmap0, mol_type); if (TMtmp<0.6*TMcut) { TM1=TM2=TM3=TM4=TM5=TMtmp; clean_up_after_approx_TM(invmap0, invmap, score, path, val, xtm, ytm, xt, r1, r2, xlen, minlen); return 7; } } //********************************************************************// // Detailed TMscore search engine --> prepare for final TMscore // //********************************************************************// //run detailed TMscore search engine for the best alignment, and //extract the best rotation matrix (t, u) for the best alignment simplify_step=1; if (fast_opt) simplify_step=40; score_sum_method=8; TM = detailed_search_standard(r1, r2, xtm, ytm, xt, xa, ya, xlen, ylen, invmap0, t, u, simplify_step, score_sum_method, local_d0_search, false, Lnorm, score_d8, d0, GDT_list, maxsub); //select pairs with dis=0)//aligned { n_ali++; d=sqrt(dist(&xt[i][0], &ya[j][0])); m1[k]=i; m2[k]=j; xtm[k][0]=xa[i][0]; xtm[k][1]=xa[i][1]; xtm[k][2]=xa[i][2]; ytm[k][0]=ya[j][0]; ytm[k][1]=ya[j][1]; ytm[k][2]=ya[j][2]; r1[k][0] = xt[i][0]; r1[k][1] = xt[i][1]; r1[k][2] = xt[i][2]; r2[k][0] = ya[j][0]; r2[k][1] = ya[j][1]; r2[k][2] = ya[j][2]; k++; } } n_ali8=k; Kabsch(r1, r2, n_ali8, 0, &rmsd0, t, u);// rmsd0 is used for final output, only recalculate rmsd0, not t & u rmsd0 = sqrt(rmsd0 / n_ali8); //****************************************// // Final TMscore // // Please set parameters for output // //****************************************// double rmsd; simplify_step=1; score_sum_method=0; double Lnorm_0=ylen; //normalized by length of structure A parameter_set4final(Lnorm_0, D0_MIN, Lnorm, d0, d0_search, mol_type); d0A=d0; d0_0=d0A; local_d0_search = d0_search; TM1 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0, GDT_list, maxsub); TM_0 = TM1; double Lnorm_d0; if (a_opt>0) { //normalized by average length of structures A, B Lnorm_0=(xlen+ylen)*0.5; parameter_set4final(Lnorm_0, D0_MIN, Lnorm, d0, d0_search, mol_type); d0a=d0; d0_0=d0a; local_d0_search = d0_search; TM3 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM3; } if (u_opt) { //normalized by user assigned length parameter_set4final(Lnorm_ass, D0_MIN, Lnorm, d0, d0_search, mol_type); d0u=d0; d0_0=d0u; Lnorm_0=Lnorm_ass; local_d0_search = d0_search; TM4 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM4; } if (d_opt) { //scaled by user assigned d0 parameter_set4scale(ylen, d0_scale, Lnorm, d0, d0_search); d0_out=d0_scale; d0_0=d0_scale; //Lnorm_0=ylen; Lnorm_d0=Lnorm_0; local_d0_search = d0_search; TM5 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); TM_0=TM5; } /* derive alignment from superposition */ int ali_len=xlen+ylen; //maximum length of alignment seqxA.assign(ali_len,'-'); seqM.assign( ali_len,' '); seqyA.assign(ali_len,'-'); //do_rotation(xa, xt, xlen, t, u); do_rotation(xa, xt, xlen, t0, u0); int kk=0, i_old=0, j_old=0; d=0; for(int k=0; k&resi_vec1, const vector&resi_vec2) { if (outfmt_opt<=0) { printf("\nStructure1: %s%s Length=%5d\n", xname.c_str(), chainID1.c_str(), xlen); printf("Structure2: %s%s Length=%5d (by which all scores are normalized)\n", yname.c_str(), chainID2.c_str(), ylen); printf("Number of residues in common=%5d\n", n_ali8); printf("RMSD of the common residues=%9.3f\n\n", rmsd); printf("TM-score = %6.4f (d0= %.2f)\n", TM1, d0A); printf("MaxSub-score= %6.4f (d0= 3.50)\n", maxsub/ylen); double gdt_ts_score=0; double gdt_ha_score=0; int i; for (i=0;i<4;i++) { gdt_ts_score+=GDT_list[i+1]; gdt_ha_score+=GDT_list[i]; } gdt_ts_score/=(4*ylen); gdt_ha_score/=(4*ylen); printf("GDT-TS-score= %6.4f %%(d<1)=%6.4f %%(d<2)=%6.4f %%(d<4)=%6.4f %%(d<8)=%6.4f\n", gdt_ts_score, GDT_list[1]/ylen, GDT_list[2]/ylen, GDT_list[3]/ylen, GDT_list[4]/ylen); printf("GDT-HA-score= %6.4f %%(d<0.5)=%6.4f %%(d<1)=%6.4f %%(d<2)=%6.4f %%(d<4)=%6.4f\n", gdt_ha_score, GDT_list[0]/ylen, GDT_list[1]/ylen, GDT_list[2]/ylen, GDT_list[3]/ylen); if (a_opt==1) printf("TM-score = %5.4f (if normalized by average length of two structures, i.e., LN= %.1f, d0= %.2f)\n", TM3, (xlen+ylen)*0.5, d0a); if (u_opt) printf("TM-score = %5.4f (if normalized by user-specified LN=%.2f and d0=%.2f)\n", TM4, Lnorm_ass, d0u); if (d_opt) printf("TM-score = %5.5f (if scaled by user-specified d0= %.2f, and LN= %d)\n", TM5, d0_scale, ylen); printf("\n -------- rotation matrix to rotate Chain-1 to Chain-2 ------\n"); printf(" i t(i) u(i,1) u(i,2) u(i,3)\n"); printf(" 1 %17.10f %14.10f %14.10f %14.10f\n",t[0],u[0][0],u[0][1],u[0][2]); printf(" 2 %17.10f %14.10f %14.10f %14.10f\n",t[1],u[1][0],u[1][1],u[1][2]); printf(" 3 %17.10f %14.10f %14.10f %14.10f\n",t[2],u[2][0],u[2][1],u[2][2]); //output alignment string seq_scale=seqM; for (i=0;i%s%s\tL=%d\td0=%.2f\tseqID=%.3f\tTM-score=%.5f\n", xname.c_str(), chainID1.c_str(), xlen, d0B, Liden/xlen, TM2); printf("%s\n", seqxA); printf(">%s%s\tL=%d\td0=%.2f\tseqID=%.3f\tTM-score=%.5f\n", yname.c_str(), chainID2.c_str(), ylen, d0A, Liden/ylen, TM1); printf("%s\n", seqyA); printf("# Lali=%d\tRMSD=%.2f\tseqID_ali=%.3f\n", n_ali8, rmsd, (n_ali8>0)?Liden/n_ali8:0); if(a_opt) printf("# TM-score=%.5f (normalized by average length of two structures: L=%.1f\td0=%.2f)\n", TM3, (xlen+ylen)*0.5, d0a); if(u_opt) printf("# TM-score=%.5f (normalized by user-specified L=%.2f\td0=%.2f)\n", TM4, Lnorm_ass, d0u); if(d_opt) printf("# TM-score=%.5f (scaled by user-specified d0=%.2f\tL=%d)\n", TM5, d0_scale, ylen); printf("$$$$\n"); } else if (outfmt_opt==2) { printf("%s%s\t%s%s\t%.4f\t%.4f\t%.2f\t%4.3f\t%4.3f\t%4.3f\t%d\t%d\t%d", xname.c_str(), chainID1.c_str(), yname.c_str(), chainID2.c_str(), TM2, TM1, rmsd, Liden/xlen, Liden/ylen, (n_ali8>0)?Liden/n_ali8:0, xlen, ylen, n_ali8); } cout << endl; if (strlen(fname_matrix)) output_rotation_matrix(fname_matrix, t, u); if (strlen(fname_super)) { output_pymol(xname, yname, fname_super, t, u, ter_opt, 0, split_opt, mirror_opt, seqM, seqxA, seqyA, resi_vec1, resi_vec2, chainID1, chainID2); output_rasmol(xname, yname, fname_super, t, u, ter_opt, 0, split_opt, mirror_opt, seqM, seqxA, seqyA, resi_vec1, resi_vec2, chainID1, chainID2, xlen, ylen, d0A, n_ali8, rmsd, TM1, Liden); } } int main(int argc, char *argv[]) { if (argc < 2) print_help(); /**********************/ /* get argument */ /**********************/ string xname = ""; string yname = ""; string fname_super = ""; // file name for superposed structure string fname_lign = ""; // file name for user alignment string fname_matrix= ""; // file name for output matrix vector sequence; // get value from alignment file double Lnorm_ass, d0_scale; bool h_opt = false; // print full help message bool v_opt = false; // print version bool m_opt = false; // flag for -m, output rotation matrix bool o_opt = false; // flag for -o, output superposed structure int a_opt = 0; // flag for -a, do not normalized by average length bool u_opt = false; // flag for -u, normalized by user specified length bool d_opt = false; // flag for -d, user specified d0 double TMcut =-1; int infmt1_opt=-1; // PDB or PDBx/mmCIF format for chain_1 int infmt2_opt=-1; // PDB or PDBx/mmCIF format for chain_2 int ter_opt =3; // TER, END, or different chainID int split_opt =0; // do not split chain int outfmt_opt=0; // set -outfmt to full output bool fast_opt =false; // flags for -fast, fTM-align algorithm int mirror_opt=0; // do not align mirror int het_opt=0; // do not read HETATM residues string atom_opt ="auto";// use C alpha atom for protein and C3' for RNA string mol_opt ="auto";// auto-detect the molecule type as protein/RNA string suffix_opt=""; // set -suffix to empty string dir_opt =""; // set -dir to empty string dir1_opt =""; // set -dir1 to empty string dir2_opt =""; // set -dir2 to empty int byresi_opt=1; // TM-score without -c vector chain1_list; // only when -dir1 is set vector chain2_list; // only when -dir2 is set for(int i = 1; i < argc; i++) { if ( !strcmp(argv[i],"-o") && i < (argc-1) ) { fname_super = argv[i + 1]; o_opt = true; i++; } else if ( (!strcmp(argv[i],"-u") || !strcmp(argv[i],"-l") || !strcmp(argv[i],"-L")) && i < (argc-1) ) { Lnorm_ass = atof(argv[i + 1]); u_opt = true; i++; } else if ( !strcmp(argv[i],"-a") && i < (argc-1) ) { if (!strcmp(argv[i + 1], "T")) a_opt=true; else if (!strcmp(argv[i + 1], "F")) a_opt=false; else { a_opt=atoi(argv[i + 1]); if (a_opt!=-2 && a_opt!=-1 && a_opt!=1) PrintErrorAndQuit("-a must be -2, -1, 1, T or F"); } i++; } else if ( !strcmp(argv[i],"-d") && i < (argc-1) ) { d0_scale = atof(argv[i + 1]); d_opt = true; i++; } else if ( !strcmp(argv[i],"-v") ) { v_opt = true; } else if ( !strcmp(argv[i],"-h") ) { h_opt = true; } else if (!strcmp(argv[i], "-m") && i < (argc-1) ) { fname_matrix = argv[i + 1]; m_opt = true; i++; }// get filename for rotation matrix else if (!strcmp(argv[i], "-fast")) { fast_opt = true; } else if ( !strcmp(argv[i],"-infmt1") && i < (argc-1) ) { infmt1_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-infmt2") && i < (argc-1) ) { infmt2_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-ter") && i < (argc-1) ) { ter_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-split") && i < (argc-1) ) { split_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-atom") && i < (argc-1) ) { atom_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-mol") && i < (argc-1) ) { mol_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir") && i < (argc-1) ) { dir_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir1") && i < (argc-1) ) { dir1_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-dir2") && i < (argc-1) ) { dir2_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-suffix") && i < (argc-1) ) { suffix_opt=argv[i + 1]; i++; } else if ( !strcmp(argv[i],"-outfmt") && i < (argc-1) ) { outfmt_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-c") ) { byresi_opt=2; } else if ( !strcmp(argv[i],"-seq") ) { byresi_opt=5; } else if ( !strcmp(argv[i],"-mirror") && i < (argc-1) ) { mirror_opt=atoi(argv[i + 1]); i++; } else if ( !strcmp(argv[i],"-het") && i < (argc-1) ) { het_opt=atoi(argv[i + 1]); i++; } else if (xname.size() == 0) xname=argv[i]; else if (yname.size() == 0) yname=argv[i]; else PrintErrorAndQuit(string("ERROR! Undefined option ")+argv[i]); } if(xname.size()==0 || (yname.size()==0 && dir_opt.size()==0) || (yname.size() && dir_opt.size())) { if (h_opt) print_help(h_opt); if (v_opt) { print_version(); exit(EXIT_FAILURE); } if (xname.size()==0) PrintErrorAndQuit("Please provide input structures"); else if (yname.size()==0 && dir_opt.size()==0) PrintErrorAndQuit("Please provide structure B"); else if (yname.size() && dir_opt.size()) PrintErrorAndQuit("Please provide only one file name if -dir is set"); } if (suffix_opt.size() && dir_opt.size()+dir1_opt.size()+dir2_opt.size()==0) PrintErrorAndQuit("-suffix is only valid if -dir, -dir1 or -dir2 is set"); if ((dir_opt.size() || dir1_opt.size() || dir2_opt.size())) { if (m_opt || o_opt) PrintErrorAndQuit("-m or -o cannot be set with -dir, -dir1 or -dir2"); else if (dir_opt.size() && (dir1_opt.size() || dir2_opt.size())) PrintErrorAndQuit("-dir cannot be set with -dir1 or -dir2"); } if (atom_opt.size()!=4) PrintErrorAndQuit("ERROR! Atom name must have 4 characters, including space."); if (mol_opt!="auto" && mol_opt!="protein" && mol_opt!="RNA") PrintErrorAndQuit("ERROR! Molecule type must be either RNA or protein."); else if (mol_opt=="protein" && atom_opt=="auto") atom_opt=" CA "; else if (mol_opt=="RNA" && atom_opt=="auto") atom_opt=" C3'"; if (u_opt && Lnorm_ass<=0) PrintErrorAndQuit("Wrong value for option -u! It should be >0"); if (d_opt && d0_scale<=0) PrintErrorAndQuit("Wrong value for option -d! It should be >0"); if (outfmt_opt>=2 && (a_opt || u_opt || d_opt)) PrintErrorAndQuit("-outfmt 2 cannot be used with -a, -u, -L, -d"); if (byresi_opt>=2 && byresi_opt<=3 && ter_opt>=2) PrintErrorAndQuit("-c should be used with -ter <=1"); if (split_opt==1 && ter_opt!=0) PrintErrorAndQuit("-split 1 should be used with -ter 0"); else if (split_opt==2 && ter_opt!=0 && ter_opt!=1) PrintErrorAndQuit("-split 2 should be used with -ter 0 or 1"); if (split_opt<0 || split_opt>2) PrintErrorAndQuit("-split can only be 0, 1 or 2"); if (m_opt && fname_matrix == "") // Output rotation matrix: matrix.txt PrintErrorAndQuit("ERROR! Please provide a file name for option -m!"); /* parse file list */ if (dir1_opt.size()+dir_opt.size()==0) chain1_list.push_back(xname); else file2chainlist(chain1_list, xname, dir_opt+dir1_opt, suffix_opt); if (dir_opt.size()) for (int i=0;i=4) cerr<<"WARNING! The residue correspondence between the two structures" <<" are automatically established by sequence alignment. Results" <<" may be unreliable."< >PDB_lines1; // text of chain1 vector >PDB_lines2; // text of chain2 vector mol_vec1; // molecule type of chain1, RNA if >0 vector mol_vec2; // molecule type of chain2, RNA if >0 vector chainID_list1; // list of chainID1 vector chainID_list2; // list of chainID2 int i,j; // file index int chain_i,chain_j; // chain index int r; // residue index int xlen, ylen; // chain length int xchainnum,ychainnum;// number of chains in a PDB file char *seqx, *seqy; // for the protein sequence double **xa, **ya; // for input vectors xa[0...xlen-1][0..2] and // ya[0...ylen-1][0..2], in general, // ya is regarded as native structure // --> superpose xa onto ya vector resi_vec1; // residue index for chain1 vector resi_vec2; // residue index for chain2 /* loop over file names */ for (i=0;i0)*(i+1);j1) { yname.clear(); for (chain_j=0;chain_j 0 and line[0] == ">": if seq is not None and "X" not in seq: yield desc, parse(seq) desc = line.strip().lstrip(">") seq = "" else: assert isinstance(seq, str) seq += line.strip() assert isinstance(seq, str) and isinstance(desc, str) if "X" not in seq: yield desc, parse(seq) def enable_cpu_offloading(model): from torch.distributed.fsdp import CPUOffload, FullyShardedDataParallel from torch.distributed.fsdp.wrap import enable_wrap, wrap torch.distributed.init_process_group( backend="nccl", init_method="tcp://localhost:9999", world_size=1, rank=0, ) wrapper_kwargs = dict(cpu_offload=CPUOffload(offload_params=True)) with enable_wrap(wrapper_cls=FullyShardedDataParallel, **wrapper_kwargs): for layer_name, layer in model.layers.named_children(): wrapped_layer = wrap(layer) setattr(model.layers, layer_name, wrapped_layer) model = wrap(model) return model def init_model_on_gpu_with_cpu_offloading(model): model = model.eval() model_esm = enable_cpu_offloading(model.esm) del model.esm model.cuda() model.esm = model_esm return model def create_batched_sequence_datasest( sequences: T.List[T.Tuple[str, str]], max_tokens_per_batch: int = 1024 ) -> T.Generator[T.Tuple[T.List[str], T.List[str]], None, None]: batch_headers, batch_sequences, num_tokens = [], [], 0 for header, seq in sequences: if (len(seq) + num_tokens > max_tokens_per_batch) and num_tokens > 0: yield batch_headers, batch_sequences batch_headers, batch_sequences, num_tokens = [], [], 0 batch_headers.append(header) batch_sequences.append(seq) num_tokens += len(seq) yield batch_headers, batch_sequences def create_parser(): parser = argparse.ArgumentParser() parser.add_argument( "-i", "--fasta_dir", help="Path directory to input FASTA file", type=Path, required=True, default="ROOTDIR/" + "generation-results/" + "touchhigh_various_length_all", ) parser.add_argument( "-o", "--pdb", help="Path directory to output PDB directory", type=Path, default=None, ) parser.add_argument( "-m", "--model-dir", help="Parent path to Pretrained ESM data directory. ", type=Path, default=None, ) parser.add_argument( "--num-recycles", type=int, default=None, help="Number of recycles to run. Defaults to number used in training (4).", ) parser.add_argument( "--max-tokens-per-batch", type=int, default=1024, help="Maximum number of tokens per gpu forward-pass. This will group shorter sequences together " "for batched prediction. Lowering this can help with out of memory issues, if these occur on " "short sequences.", ) parser.add_argument( "--chunk-size", type=int, default=None, help="Chunks axial attention computation to reduce memory usage from O(L^2) to O(L). " "Equivalent to running a for loop over chunks of of each dimension. Lower values will " "result in lower memory usage at the cost of speed. Recommended values: 128, 64, 32. " "Default: None.", ) parser.add_argument("--cpu-only", help="CPU only", action="store_true") parser.add_argument( "--cpu-offload", help="Enable CPU offloading", action="store_true" ) return parser def run(args): # args.pdb.mkdir(exist_ok=True) logger.info("Loading model") # Use pre-downloaded ESM weights from model_pth. if args.model_dir is not None: # if pretrained model path is available torch.hub.set_dir(args.model_dir) model = esm.pretrained.esmfold_v1() model = model.eval() model.set_chunk_size(args.chunk_size) if args.cpu_only: model.esm.float() # convert to fp32 as ESM-2 in fp16 is not supported on CPU model.cpu() elif args.cpu_offload: model = init_model_on_gpu_with_cpu_offloading(model) else: model.cuda() for fasta in glob.glob(f"{args.fasta_dir}/**/*.fasta", recursive=True): print(fasta) if args.pdb is not None: pdbdir = os.path.join(args.pdb, os.path.basename(fasta)[:-6]) else: pdbdir = os.path.join(os.path.dirname(fasta), "esmfold_pdb") Path(pdbdir).mkdir(exist_ok=True) # Read fasta and sort sequences by length logger.info(f"Reading sequences from {fasta}") all_sequences = sorted( read_fasta(fasta), key=lambda header_seq: len(header_seq[1]) ) logger.info(f"Loaded {len(all_sequences)} sequences from {fasta}") logger.info("Starting Predictions") batched_sequences = create_batched_sequence_datasest( all_sequences, args.max_tokens_per_batch ) num_completed = 0 num_sequences = len(all_sequences) for headers, sequences in batched_sequences: start = timer() try: # with torch.cuda.amp.autocast(): output = model.infer(sequences, num_recycles=args.num_recycles) except RuntimeError as e: if e.args[0].startswith("CUDA out of memory"): if len(sequences) > 1: logger.info( f"Failed (CUDA out of memory) to predict batch of size {len(sequences)}. " "Try lowering `--max-tokens-per-batch`." ) else: logger.info( f"Failed (CUDA out of memory) on sequence {headers[0]} of length {len(sequences[0])}." ) continue raise output = {key: value.cpu() for key, value in output.items()} pdbs = model.output_to_pdb(output) tottime = timer() - start time_string = f"{tottime / len(headers):0.1f}s" if len(sequences) > 1: time_string = ( time_string + f" (amortized, batch size {len(sequences)})" ) for header, seq, pdb_string, mean_plddt, ptm in zip( headers, sequences, pdbs, output["mean_plddt"], output["ptm"] ): output_file = os.path.join( pdbdir, f"{header}_plddt_{mean_plddt}.pdb" ) output_file = Path(output_file) output_file.write_text(pdb_string) num_completed += 1 logger.info( f"Predicted structure for {header} with length {len(seq)}, pLDDT {mean_plddt:0.1f}, " f"pTM {ptm:0.3f} in {time_string}. " f"{num_completed} / {num_sequences} completed." ) def main(): parser = create_parser() args = parser.parse_args() run(args) if __name__ == "__main__": main() ================================================ FILE: analysis/cal_tmscore.py ================================================ import argparse import itertools import multiprocessing as mp import os import re import subprocess from glob import glob import matplotlib.pyplot as plt import matplotlib.ticker as ticker import numpy as np import pandas import pandas as pd import seaborn as sns from tqdm.auto import tqdm def run_tmalign(query, reference, fast=True): # --> one to one exec = "./TMalign" cmd = f"{exec} {query} {reference}" if fast: cmd += " -fast" try: output = subprocess.check_output(cmd, shell=True) except subprocess.CalledProcessError: return np.nan score_lines = [] for line in output.decode().split("\n"): if line.startswith("TM-score"): score_lines.append(line) key_getter = lambda s: re.findall(r"Chain_[12]{1}", s)[0] score_getter = lambda s: float(re.findall(r"=\s+([0-9.]+)", s)[0]) results_dict = {key_getter(s): score_getter(s) for s in score_lines} try: a = results_dict["Chain_1"] except: wxy = 1 return results_dict["Chain_1"] def tm_one2refs( query, references, n_threads, fast=True, chunksize=10, parallel=True ): args = [(query, ref, fast) for ref in references] if parallel: n_threads = min(n_threads, len(references)) pool = mp.Pool(n_threads) values = list(pool.starmap(run_tmalign, args, chunksize=chunksize)) pool.close() pool.join() else: values = list(itertools.starmap(run_tmalign, args)) return values def tm_set2set(querys, targets, save_path, n_threads=mp.cpu_count()): save_dict = { "query": [], "tm_scores": [], } print("using {:d} threads", n_threads) cnt = 0 for pdb in tqdm(querys[:]): tm_scores = tm_one2refs(pdb, targets, n_threads=n_threads) save_dict["query"].append(pdb) save_dict["tm_scores"].append(tm_scores) cnt += 1 save_df = pandas.DataFrame.from_dict(save_dict) save_df.to_csv(os.path.join(save_path, "inter_tmscore.csv")) def main(): parser = argparse.ArgumentParser() parser.add_argument( "--query_dir", type=str, default=None, help="the dirname of query pdb files", ) # if calculate diversity, ref_dir should be same to query_dir # if calculate novelty, ref_dir should be specified to the path of all pdb files parser.add_argument( "--ref_dir", type=str, default=None, help="the dirname of ref pdb files", ) parser.add_argument( "--cal_type", choices=["diversity", "novelty"], required=True, help='Specify the type. Options are "diversity" or "novelty".', ) args = parser.parse_args() query_dir = args.query_dir reference_dir = args.ref_dir if args.cal_type == "diversity": cal_diversity(query_dir, reference_dir) elif args.cal_type == "novelty": cal_novelty(query_dir, reference_dir) def cal_novelty(query_dir, reference_dir): output_dir = os.path.join(query_dir, "../novelty") os.makedirs(output_dir, exist_ok=True) for dirname in os.listdir(query_dir): if not os.path.isdir(os.path.join(query_dir, dirname)): continue query_pdb_dir = os.path.join(query_dir, dirname) query_paths = [ os.path.join(query_pdb_dir, pdb_name) for pdb_name in os.listdir(query_pdb_dir) ] reference_paths = [ os.path.join(reference_dir, pdb_name) for pdb_name in os.listdir(reference_dir) ] os.makedirs(os.path.join(output_dir, dirname), exist_ok=True) tm_set2set( query_paths, reference_paths, os.path.join(output_dir, dirname) ) # , mp.cpu_count()) def cal_diversity(query_dir, reference_dir): output_dir = os.path.join(query_dir, "../diversity") os.makedirs(output_dir, exist_ok=True) for dirname in os.listdir(query_dir): if not os.path.isdir(os.path.join(query_dir, dirname)): continue query_pdb_dir = os.path.join(query_dir, dirname) reference_pdb_dir = os.path.join(reference_dir, dirname) query_paths = [ os.path.join(query_pdb_dir, pdb_name) for pdb_name in os.listdir(query_pdb_dir) ] reference_paths = [ os.path.join(reference_pdb_dir, pdb_name) for pdb_name in os.listdir(reference_pdb_dir) ] os.makedirs(os.path.join(output_dir, dirname), exist_ok=True) tm_set2set( query_paths, reference_paths, os.path.join(output_dir, dirname) ) # , mp.cpu_count()) if __name__ == "__main__": main() ================================================ FILE: analysis/motif_analysis.ipynb ================================================ { "cells": [ { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "import glob\n", "import os\n", "import subprocess\n", "from ast import literal_eval\n", "\n", "import matplotlib.pyplot as plt\n", "import MDAnalysis as mda\n", "import pandas as pd\n", "import seaborn as sns\n", "from MDAnalysis.analysis import rms" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "# Analysis" ] }, { "cell_type": "code", "execution_count": 2, "metadata": {}, "outputs": [], "source": [ "# FrameFlow Version\n", "start_idx_dict = {\n", " \"1prw\": [15, 51],\n", " \"1bcf\": [90, 122, 46, 17],\n", " \"5tpn\": [108],\n", " \"3ixt\": [0],\n", " \"4jhw\": [144, 37],\n", " \"4zyp\": [357],\n", " \"5wn9\": [1],\n", " \"5ius\": [88, 34],\n", " \"5yui\": [89, 114, 194],\n", " \"6vw1\": [5, 45],\n", " \"1qjg\": [37, 13, 98],\n", " \"1ycr\": [2],\n", " \"2kl8\": [0, 27],\n", " \"7mrx\": [25],\n", " \"5trv\": [45],\n", " \"6e6r\": [22],\n", " \"6exz\": [25],\n", "}\n", "end_idx_dict = {\n", " \"1prw\": [34, 70],\n", " \"1bcf\": [98, 129, 53, 24],\n", " \"5tpn\": [126],\n", " \"3ixt\": [23],\n", " \"4jhw\": [159, 43],\n", " \"4zyp\": [371],\n", " \"5wn9\": [20],\n", " \"5ius\": [109, 53],\n", " \"5yui\": [93, 116, 196],\n", " \"6vw1\": [23, 63],\n", " \"1qjg\": [37, 13, 98],\n", " \"1ycr\": [10],\n", " \"2kl8\": [6, 78],\n", " \"7mrx\": [46],\n", " \"5trv\": [69],\n", " \"6e6r\": [34],\n", " \"6exz\": [39],\n", "}\n", "\n", "motif_name_mapping = {\n", " \"1PRW\": \"1prw\",\n", " \"1BCF\": \"1bcf\",\n", " \"5TPN\": \"5tpn\",\n", " \"5IUS\": \"5ius\",\n", " \"3IXT\": \"3ixt\",\n", " \"5YUI\": \"5yui\",\n", " \"1QJG\": \"1qjg\",\n", " \"1YCR\": \"1ycr\",\n", " \"2KL8\": \"2kl8\",\n", " \"7MRX_60\": \"7mrx\",\n", " \"7MRX_85\": \"7mrx\",\n", " \"7MRX_128\": \"7mrx\",\n", " \"4JHW\": \"4jhw\",\n", " \"4ZYP\": \"4zyp\",\n", " \"5WN9\": \"5wn9\",\n", " \"5TRV_short\": \"5trv\",\n", " \"5TRV_med\": \"5trv\",\n", " \"5TRV_long\": \"5trv\",\n", " \"6E6R_short\": \"6e6r\",\n", " \"6E6R_med\": \"6e6r\",\n", " \"6E6R_long\": \"6e6r\",\n", " \"6EXZ_short\": \"6exz\",\n", " \"6EXZ_med\": \"6exz\",\n", " \"6EXZ_long\": \"6exz\",\n", "}\n", "\n", "import numpy as np\n", "from Bio import PDB\n", "\n", "\n", "def calculate_avg_plddt(pdb_file):\n", " parser = PDB.PDBParser(QUIET=True)\n", "\n", " structure = parser.get_structure(\"protein\", pdb_file)\n", "\n", " plddt_values = []\n", " for model in structure:\n", " for chain in model:\n", " for residue in chain:\n", " if \"CA\" in residue:\n", " ca_atom = residue[\"CA\"]\n", " plddt = ca_atom.get_bfactor()\n", " plddt_values.append(plddt)\n", "\n", " if plddt_values:\n", " avg_plddt = np.mean(plddt_values)\n", " return avg_plddt\n", " else:\n", " raise NotImplementedError\n", "\n", "\n", "def calc_rmsd_tmscore(\n", " pdb_name,\n", " reference_PDB,\n", " scaffold_pdb_path=None,\n", " scaffold_info_path=None,\n", " ref_motif_starts=[30],\n", " ref_motif_ends=[44],\n", " output_path=None,\n", "):\n", " \"Calculate RMSD between reference structure and generated structure over the defined motif regions\"\n", "\n", " motif_df = pd.read_csv(\n", " os.path.join(scaffold_info_path, f\"{pdb_name}.csv\"), index_col=0\n", " )\n", " results = []\n", " for pdb in os.listdir(\n", " scaffold_pdb_path\n", " ): # This needs to be in numerical order to match new_starts file\n", " if not pdb.endswith(\".pdb\"):\n", " continue\n", " ref = mda.Universe(reference_PDB)\n", " predict_PDB = os.path.join(scaffold_pdb_path, pdb)\n", " u = mda.Universe(predict_PDB)\n", "\n", " ref_selection = \"name CA and resnum \"\n", " u_selection = \"name CA and resnum \"\n", "\n", " i = int(pdb.split(\"_\")[1].split(\".\")[0])\n", " new_motif_starts = literal_eval(motif_df[\"start_idxs\"].iloc[i])\n", " new_motif_ends = literal_eval(motif_df[\"end_idxs\"].iloc[i])\n", "\n", " ref_selection_list = []\n", " for j in range(len(ref_motif_starts)):\n", " ref_selection_temp = (\n", " ref_selection\n", " + str(ref_motif_starts[j])\n", " + \":\"\n", " + str(ref_motif_ends[j])\n", " + \" \"\n", " )\n", " ref_selection_list.append(ref_selection_temp)\n", " u_selection += (\n", " str(new_motif_starts[j] + 1)\n", " + \":\"\n", " + str(new_motif_ends[j] + 1)\n", " + \" \"\n", " )\n", "\n", " ref_ordered = ref.select_atoms(ref_selection_list[0])\n", " for j in range(1, len(ref_selection_list)):\n", " ref_ordered = ref_ordered + ref.select_atoms(ref_selection_list[j])\n", "\n", " # print(\"U SELECTION\", u_selection)\n", " # print(\"SEQUENCE\", i)\n", " # print(\"ref\", ref_ordered.resnames)\n", " # print(\"gen\", u.select_atoms(u_selection).resnames)\n", " # This asserts that the motif sequences are the same - if you get this error something about your indices are incorrect - check chain/numbering\n", " assert len(ref_ordered.resnames) == len(\n", " u.select_atoms(u_selection).resnames\n", " ), \"Motif \\\n", " lengths do not match, check PDB preprocessing\\\n", " for extra residues\"\n", "\n", " assert (\n", " ref_ordered.resnames == u.select_atoms(u_selection).resnames\n", " ).all(), \"Resnames for\\\n", " motifRMSD do not match, check indexing\"\n", " rmsd = rms.rmsd(\n", " u.select_atoms(u_selection).positions,\n", " # coordinates to align\n", " ref_ordered.positions,\n", " # reference coordinates\n", " center=True, # subtract the center of geometry\n", " superposition=True,\n", " ) # superimpose coordinates\n", "\n", " temp_file = open(os.path.join(output_path, \"temp_tmscores.txt\"), \"w\")\n", "\n", " subprocess.call(\n", " [\"./TMscore\", reference_PDB, predict_PDB, \"-seq\"], stdout=temp_file\n", " )\n", " with open(os.path.join(output_path, \"temp_tmscores.txt\"), \"r\") as f:\n", " for line in f:\n", " if len(line.split()) > 1 and \"TM-score\" == line.split()[0]:\n", " tm_score = line.split()[2]\n", " break\n", "\n", " plddt = calculate_avg_plddt(predict_PDB)\n", " results.append((pdb_name, i, rmsd, plddt, tm_score))\n", " return results" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## DPLM" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Calculate motif rmsd" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "scaffold_dir = \"../generation-results/dplm_650m/motif_scaffold\"\n", "motif_pdb_dir = \"../data-bin/scaffolding-pdbs\"\n", "\n", "output_dir = os.path.join(scaffold_dir, \"scaffold_results\")\n", "os.makedirs(output_dir, exist_ok=True)\n", "\n", "results = []\n", "\n", "for ori_pdb, pdb in motif_name_mapping.items():\n", " print(pdb)\n", " ref_motif_starts = start_idx_dict[pdb]\n", " ref_motif_ends = end_idx_dict[pdb]\n", " reference_PDB = os.path.join(\n", " \"../data-bin/scaffolding-pdbs\", pdb + \"_reference.pdb\"\n", " )\n", " with open(reference_PDB) as f:\n", " line = f.readline()\n", " ref_basenum = int(line.split()[5])\n", " ref_motif_starts = [num + ref_basenum for num in ref_motif_starts]\n", " ref_motif_ends = [num + ref_basenum for num in ref_motif_ends]\n", " results += calc_rmsd_tmscore(\n", " pdb_name=ori_pdb,\n", " reference_PDB=reference_PDB,\n", " scaffold_pdb_path=f\"{scaffold_dir}/scaffold_fasta/esmfold_pdb/{ori_pdb}\",\n", " scaffold_info_path=f\"{scaffold_dir}/scaffold_info\",\n", " ref_motif_starts=ref_motif_starts,\n", " ref_motif_ends=ref_motif_ends,\n", " output_path=output_dir,\n", " )\n", "\n", "results = pd.DataFrame(\n", " results, columns=[\"pdb_name\", \"index\", \"rmsd\", \"plddt\", \"tmscore\"]\n", ")\n", "results.to_csv(os.path.join(output_dir, \"rmsd_tmscore.csv\"), index=False)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Calculate success rate" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "def cal_success_scaffold(pdb):\n", " total = len(pdb)\n", " pdb[\"total\"] = total\n", " pdb = pdb[(pdb[\"rmsd\"] < 1.0) & (pdb[\"plddt\"] > 70)]\n", " return pdb\n", "\n", "\n", "rmsd_tmscore = pd.read_csv(os.path.join(output_dir, \"rmsd_tmscore.csv\"))\n", "success_scaffold = rmsd_tmscore.groupby(\"pdb_name\", as_index=False).apply(\n", " cal_success_scaffold\n", ")\n", "success_scaffold_count = success_scaffold.groupby(\"pdb_name\").size()\n", "success_scaffold_count = success_scaffold_count.reset_index(\n", " name=\"success_count\"\n", ")\n", "\n", "all_pdb = list(rmsd_tmscore[\"pdb_name\"].unique())\n", "success_pdb = list(success_scaffold_count[\"pdb_name\"])\n", "failed_pdb = list(set(all_pdb) - set(success_pdb))\n", "failed_scaffold_count = {\n", " \"pdb_name\": failed_pdb,\n", " \"success_count\": [0] * len(failed_pdb),\n", "}\n", "results = pd.concat(\n", " [success_scaffold_count, pd.DataFrame(failed_scaffold_count)]\n", ").sort_values(\"pdb_name\")\n", "results.to_csv(os.path.join(output_dir, \"result.csv\"))\n", "results" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## DPLM-2" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Calculate motif rmsd" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "scaffold_dir = \"../generation-results/dplm2_650m/motif_scaffold\"\n", "motif_pdb_dir = \"../data-bin/scaffolding-pdbs\"\n", "\n", "output_dir = os.path.join(scaffold_dir, \"scaffold_results\")\n", "os.makedirs(output_dir, exist_ok=True)\n", "\n", "results = []\n", "\n", "for ori_pdb, pdb in motif_name_mapping.items():\n", " print(pdb)\n", " ref_motif_starts = start_idx_dict[pdb]\n", " ref_motif_ends = end_idx_dict[pdb]\n", " reference_PDB = os.path.join(\n", " \"../data-bin/scaffolding-pdbs\", pdb + \"_reference.pdb\"\n", " )\n", " with open(reference_PDB) as f:\n", " line = f.readline()\n", " ref_basenum = int(line.split()[5])\n", " ref_motif_starts = [num + ref_basenum for num in ref_motif_starts]\n", " ref_motif_ends = [num + ref_basenum for num in ref_motif_ends]\n", " results += calc_rmsd_tmscore(\n", " pdb_name=ori_pdb,\n", " reference_PDB=reference_PDB,\n", " scaffold_pdb_path=f\"{scaffold_dir}/scaffold_fasta/{ori_pdb}/esmfold_pdb\",\n", " scaffold_info_path=f\"{scaffold_dir}/scaffold_info\",\n", " ref_motif_starts=ref_motif_starts,\n", " ref_motif_ends=ref_motif_ends,\n", " output_path=output_dir,\n", " )\n", "\n", "results = pd.DataFrame(\n", " results, columns=[\"pdb_name\", \"index\", \"rmsd\", \"plddt\", \"tmscore\"]\n", ")" ] }, { "cell_type": "code", "execution_count": 4, "metadata": {}, "outputs": [], "source": [ "df_cat = []\n", "pdb_name_list = []\n", "for path in glob.glob(\n", " scaffold_dir + \"/scaffold_fasta/**/**/**/eval/all_top_samples.csv\"\n", "):\n", " df = pd.read_csv(path)\n", " pdb_name = path.split(\"/\")[-3]\n", " if pdb_name in pdb_name_list:\n", " continue\n", " pdb_name_list.append(pdb_name)\n", " df[\"pdb_name\"] = pdb_name\n", " df[\"index\"] = df[\"sample_path\"].apply(\n", " lambda x: int(x.split(\"/\")[-2].split(\"_\")[1].split(\".\")[0])\n", " )\n", " df = df[[\"pdb_name\", \"index\", \"bb_rmsd\", \"bb_tmscore\"]]\n", " df_cat.append(df)\n", "df_cat = pd.concat(df_cat, axis=0)\n", "results = pd.merge(results, df_cat, on=[\"pdb_name\", \"index\"])\n", "results.to_csv(os.path.join(output_dir, \"rmsd_tmscore.csv\"), index=False)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Calculate success rate" ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [ "def cal_success_scaffold(pdb):\n", " total = len(pdb)\n", " pdb[\"total\"] = total\n", " pdb = pdb[(pdb[\"rmsd\"] < 1.0) & (pdb[\"bb_tmscore\"] > 0.8)]\n", " return pdb\n", "\n", "\n", "rmsd_tmscore = pd.read_csv(os.path.join(output_dir, \"rmsd_tmscore.csv\"))\n", "success_scaffold = rmsd_tmscore.groupby(\"pdb_name\", as_index=False).apply(\n", " cal_success_scaffold\n", ")\n", "success_scaffold_count = success_scaffold.groupby(\"pdb_name\").size()\n", "success_scaffold_count = success_scaffold_count.reset_index(\n", " name=\"success_count\"\n", ")\n", "\n", "all_pdb = list(rmsd_tmscore[\"pdb_name\"].unique())\n", "success_pdb = list(success_scaffold_count[\"pdb_name\"])\n", "failed_pdb = list(set(all_pdb) - set(success_pdb))\n", "failed_scaffold_count = {\n", " \"pdb_name\": failed_pdb,\n", " \"success_count\": [0] * len(failed_pdb),\n", "}\n", "results = pd.concat(\n", " [success_scaffold_count, pd.DataFrame(failed_scaffold_count)]\n", ").sort_values(\"pdb_name\")\n", "results.to_csv(os.path.join(output_dir, \"result.csv\"))\n", "results" ] } ], "metadata": { "kernelspec": { "display_name": "dplm", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.9.19" } }, "nbformat": 4, "nbformat_minor": 2 } ================================================ FILE: analysis/plddt_calculate.sh ================================================ # Example: # bash analysis/plddt_calculate.sh generation-results/dplm_650m output_dir=$1 output_filename_list=$(ls ${output_dir}) echo $output_filename_list max_tokens=1024 echo "============================Begin Evaluation==============================" pdb_path=$output_dir/esmfold_pdb # folding mkdir -p $pdb_path echo 'folding by ESMFold' python analysis/cal_plddt_dir.py -i ${output_dir} -o ${pdb_path} --max-tokens-per-batch ${max_tokens} echo "============================Finish Evaluation==============================" ================================================ FILE: analysis/plot.ipynb ================================================ { "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "# Unconditional" ] }, { "cell_type": "code", "execution_count": 8, "metadata": {}, "outputs": [], "source": [ "import glob\n", "import os\n", "\n", "import matplotlib.pyplot as plt\n", "import pandas as pd\n", "import seaborn as sns\n", "\n", "sns.set_palette(sns.color_palette(\"Spectral\"))\n", "%matplotlib inline\n", "%config InlineBackend.figure_format = 'retina'\n", "import warnings\n", "\n", "import matplotlib.colors as mcolors\n", "import numpy as np\n", "\n", "warnings.filterwarnings(\"ignore\")\n", "\n", "length_list = [100, 200, 300, 400, 500]\n", "cmap = sns.color_palette(\"Spectral\", as_cmap=True)\n", "color_list = cmap(np.linspace(0, 1, cmap.N))\n", "interval = len(color_list) // len(length_list)\n", "start = interval * 1\n", "end = len(color_list) - interval * 0\n", "step = (end - start) // len(length_list)\n", "color_list = [color_list[idx] for idx in range(start, end, step)]\n", "\n", "custom_palette = [mcolors.rgb2hex(c) for c in color_list]\n", "custom_palette[0] = \"#f9633d\"\n", "custom_palette[2] = \"#fceec9\"\n", "custom_palette[4] = \"#5fb1a5\"\n", "\n", "\n", "def load_top_samples(eval_dir, index=-2):\n", " dfs = []\n", " import glob\n", "\n", " for path in glob.glob(eval_dir + \"/**/eval/all_top_samples.csv\"):\n", " length = int(path.split(\"/\")[-3].split(\"_\")[index])\n", " if length not in length_list:\n", " continue\n", " df = pd.read_csv(path)\n", " df[\"length\"] = length\n", " dfs.append(df)\n", " df_cat = pd.concat(dfs)\n", " df_cat = df_cat.sort_values(\"length\")\n", " return df_cat\n", "\n", "\n", "def load_designable(eval_dir, index=-2):\n", " dfs = []\n", " for path in glob.glob(eval_dir + \"/**/eval/designable.csv\"):\n", " length = int(path.split(\"/\")[-3].split(\"_\")[index])\n", " if length not in length_list:\n", " continue\n", " df = pd.read_csv(path)\n", " df[\"length\"] = length\n", " dfs.append(df)\n", " df_cat = pd.concat(dfs)\n", " df_cat = df_cat.sort_values(\"length\")\n", " df_cat[\"diversity\"] = df_cat[\"Clusters\"]\n", " return df_cat" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### plot" ] }, { "cell_type": "code", "execution_count": 11, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
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" ], "text/plain": [ " Total codesignable Designable Total samples Clusters length diversity\n", "0 100 1.00 100 68 100 68\n", "0 98 0.98 100 63 200 63\n", "0 95 0.95 100 57 300 57\n", "0 100 1.00 100 60 400 60\n", "0 99 0.99 100 53 500 53" ] }, "metadata": {}, "output_type": "display_data" }, { "data": { "text/plain": [ "" ] }, "execution_count": 11, "metadata": {}, "output_type": "execute_result" }, { "data": { "image/png": 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" ] }, "metadata": { "image/png": { "height": 217, "width": 1001 } }, "output_type": "display_data" } ], "source": [ "eval_dir = \"./generation-results/dplm2_650m/co_generation/unconditional_codesign/run_2025-05-11_22-21-04\"\n", "\n", "index = -1\n", "df_cat = load_top_samples(eval_dir, index=index)\n", "fig, axes = plt.subplots(1, 3, figsize=(12, 2))\n", "\n", "sns.boxplot(\n", " data=df_cat,\n", " y=\"bb_tmscore\",\n", " x=\"length\",\n", " ax=axes[0],\n", " showfliers=False,\n", " width=0.6,\n", " palette=custom_palette,\n", ")\n", "axes[0].set_ylim(0.1, 1.05)\n", "sns.boxplot(\n", " data=df_cat,\n", " y=\"bb_rmsd\",\n", " x=\"length\",\n", " ax=axes[1],\n", " showfliers=False,\n", " width=0.6,\n", " palette=custom_palette,\n", ")\n", "\n", "df_cat_designable = load_designable(eval_dir, index=index)\n", "display(df_cat_designable)\n", "sns.barplot(\n", " x=\"length\",\n", " y=\"Clusters\",\n", " data=df_cat_designable,\n", " ax=axes[2],\n", " palette=custom_palette,\n", " edgecolor=\"black\",\n", ")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Secondary Structure Analysis" ] }, { "cell_type": "code", "execution_count": 10, "metadata": {}, "outputs": [ { "data": { "image/png": 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"text/plain": [ "
" ] }, "metadata": { "image/png": { "height": 509, "width": 637 } }, "output_type": "display_data" } ], "source": [ "import ternary\n", "\n", "df = df_cat\n", "\n", "df[\"loop_percent\"] = df.apply(\n", " lambda x: 1 - x[\"helix_percent\"] - x[\"strand_percent\"], axis=1\n", ")\n", "\n", "figure, ax = plt.subplots(figsize=(8, 6))\n", "ax.axis(\"off\")\n", "tax = ternary.TernaryAxesSubplot(ax=ax, scale=1.0)\n", "\n", "tax.gridlines(multiple=0.2, color=\"grey\", linestyle=\"--\")\n", "tax.boundary(linewidth=1.5)\n", "tax.ticks(\n", " axis=\"lbr\",\n", " multiple=0.2,\n", " linewidth=1,\n", " offset=0.02,\n", " fontsize=15,\n", " tick_formats=\"%.1f\",\n", ")\n", "\n", "tax.bottom_axis_label(\"helix\", fontsize=15, offset=0.05)\n", "tax.left_axis_label(\"loop\", fontsize=15, offset=0.13)\n", "tax.right_axis_label(\"sheet\", fontsize=15, offset=0.13)\n", "\n", "points = df[\n", " [\"helix_percent\", \"strand_percent\", \"loop_percent\"]\n", "].values.tolist()\n", "cmap = sns.color_palette(\"Spectral\", as_cmap=True)\n", "norm = plt.Normalize(df[\"bb_rmsd\"].min(), df[\"bb_rmsd\"].max())\n", "colors = [cmap(norm(val)) for val in df[\"bb_rmsd\"]]\n", "tax.scatter(points, color=colors, marker=\"o\", s=15, edgecolors=\"k\", alpha=0.4)\n", "\n", "sm = plt.cm.ScalarMappable(cmap=cmap, norm=norm)\n", "cbar = figure.colorbar(sm, ax=tax.ax, orientation=\"vertical\", shrink=0.7)\n", "cbar.set_label(\"scRMSD\", fontsize=20, rotation=90)\n", "cbar.ax.tick_params(labelsize=15)\n", "\n", "tax.clear_matplotlib_ticks()\n", "tax._redraw_labels()\n", "plt.show()" ] } ], "metadata": { "fileId": "221fd8c3-418e-4246-a275-c8a279964844", "kernelspec": { "display_name": "dplm", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.9.19" } }, "nbformat": 4, "nbformat_minor": 2 } ================================================ FILE: analysis/uncond_analysis.ipynb ================================================ { "cells": [ { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [], "source": [ "import glob\n", "import os\n", "\n", "import matplotlib.pyplot as plt\n", "import pandas as pd\n", "import seaborn as sns" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "# Process the pdb file and summarize overall results to csv file" ] }, { "cell_type": "code", "execution_count": 3, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "/tmp/ipykernel_10800/1838829422.py:19: DeprecationWarning: DataFrameGroupBy.apply operated on the grouping columns. This behavior is deprecated, and in a future version of pandas the grouping columns will be excluded from the operation. Either pass `include_groups=False` to exclude the groupings or explicitly select the grouping columns after groupby to silence this warning.\n", " plddt_df = plddt_df.groupby('length', group_keys=False).apply(lambda x: x.sort_values('seq_idx'))\n" ] }, { "data": { "text/html": [ "
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seq_idxlengthplddt
0010073.436035
11110085.358810
22210047.136200
33310043.678627
34410074.624428
............
1883550094.508049
1893650091.406937
1903750082.436523
1913850087.450317
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200 rows × 3 columns

\n", "
" ], "text/plain": [ " seq_idx length plddt\n", "0 0 100 73.436035\n", "11 1 100 85.358810\n", "22 2 100 47.136200\n", "33 3 100 43.678627\n", "34 4 100 74.624428\n", ".. ... ... ...\n", "188 35 500 94.508049\n", "189 36 500 91.406937\n", "190 37 500 82.436523\n", "191 38 500 87.450317\n", "192 39 500 94.210419\n", "\n", "[200 rows x 3 columns]" ] }, "execution_count": 3, "metadata": {}, "output_type": "execute_result" } ], "source": [ "output_dir = \"generation-results/dplm_650m\"\n", "\n", "plddt_dict = {\"seq_idx\": [], \"length\": [], \"plddt\": []}\n", "\n", "for pdb_foldername in os.listdir(os.path.join(output_dir, \"esmfold_pdb\")):\n", " length = pdb_foldername.split(\"_\")[3]\n", " for pdb_filename in os.listdir(\n", " os.path.join(output_dir, f\"esmfold_pdb/{pdb_foldername}\")\n", " ):\n", " seq_idx = pdb_filename.split(\"_\")[1]\n", " plddt = pdb_filename.split(\"_\")[-1][:-4]\n", " plddt_dict[\"seq_idx\"].append(int(seq_idx))\n", " plddt_dict[\"length\"].append(int(length))\n", " plddt_dict[\"plddt\"].append(float(plddt))\n", "\n", "plddt_df = pd.DataFrame(plddt_dict).sort_values(\"length\")\n", "plddt_df = plddt_df.groupby(\"length\", group_keys=False).apply(\n", " lambda x: x.sort_values(\"seq_idx\")\n", ")\n", "plddt_df.to_csv(os.path.join(output_dir, \"result.csv\"))\n", "plddt_df" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "# Lineplot according to the sequence length" ] }, { "cell_type": "code", "execution_count": 4, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
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lengthplddtmodel
010070.241217dplm_650m
120083.125927dplm_650m
230085.899873dplm_650m
340084.032781dplm_650m
450083.599222dplm_650m
\n", "
" ], "text/plain": [ " length plddt model\n", "0 100 70.241217 dplm_650m\n", "1 200 83.125927 dplm_650m\n", "2 300 85.899873 dplm_650m\n", "3 400 84.032781 dplm_650m\n", "4 500 83.599222 dplm_650m" ] }, "execution_count": 4, "metadata": {}, "output_type": "execute_result" } ], "source": [ "output_dir_list = [\"generation-results/dplm_650m/result.csv\"]\n", "model_name_list = [\"dplm_650m\"]\n", "plddt_df_list = []\n", "for i, output_dir in enumerate(output_dir_list):\n", " plddt_df = pd.read_csv(output_dir)\n", " plddt_df = plddt_df.groupby(\"length\", as_index=False)[\"plddt\"].mean()\n", " plddt_df[\"model\"] = model_name_list[i]\n", " plddt_df_list.append(plddt_df)\n", "plddt_df = pd.concat(plddt_df_list, ignore_index=True)\n", "plddt_df" ] }, { "cell_type": "code", "execution_count": 5, "metadata": {}, "outputs": [ { "data": { "image/png": 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", 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" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "# Create scatter plot\n", "palette_candidate = [\"#EECF73\", \"#5FB1A5\", \"#F9633D\"]\n", "palette = [palette_candidate[i] for i in range(len(model_name_list))]\n", "markers_candidate = [\"o\", \"v\", \"s\"]\n", "markers = [markers_candidate[i] for i in range(len(model_name_list))]\n", "# palette = ['#8dd3c7', '#80b1d3', '#bebada']\n", "sns.lineplot(\n", " data=plddt_df,\n", " x=\"length\",\n", " y=\"plddt\",\n", " hue=\"model\",\n", " style=\"model\",\n", " markers=markers,\n", " markersize=10,\n", " dashes=False,\n", " palette=palette,\n", ")\n", "\n", "# Adding labels and title\n", "plt.xlabel(\"Length\", fontdict={\"size\": 18})\n", "plt.ylabel(\"pLDDT\", fontdict={\"size\": 18})\n", "plt.xticks(size=14)\n", "plt.yticks(size=14)\n", "plt.tight_layout()\n", "plt.legend(title=None, prop={\"size\": 15})\n", "\n", "# Show plot\n", "plt.show()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "# Diversity Analysis" ] }, { "cell_type": "code", "execution_count": 29, "metadata": {}, "outputs": [], "source": [ "df_length = []\n", "\n", "\n", "def load_tmscore(eval_dir):\n", " dfs = []\n", " for path in glob.glob(eval_dir + \"/**/inter_tmscore.csv\"):\n", " print(path)\n", " df = pd.read_csv(path)\n", " length = path.split(\"/\")[-2].split(\"_\")[-1]\n", " df[\"length\"] = [length] * len(df)\n", " dfs.append(df)\n", " df_cat = pd.concat(dfs)\n", " df_cat = df_cat.sort_values(\"length\")\n", " return df_cat" ] }, { "cell_type": "code", "execution_count": 31, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "../generation-results/dplm_650m/diversity/iter_500_L_100/inter_tmscore.csv\n", "../generation-results/dplm_650m/diversity/iter_500_L_200/inter_tmscore.csv\n", "../generation-results/dplm_650m/diversity/iter_500_L_300/inter_tmscore.csv\n", "../generation-results/dplm_650m/diversity/iter_500_L_400/inter_tmscore.csv\n", "../generation-results/dplm_650m/diversity/iter_500_L_500/inter_tmscore.csv\n" ] }, { "name": "stderr", "output_type": "stream", "text": [ "/tmp/ipykernel_13209/836779224.py:6: DeprecationWarning: DataFrameGroupBy.apply operated on the grouping columns. This behavior is deprecated, and in a future version of pandas the grouping columns will be excluded from the operation. Either pass `include_groups=False` to exclude the groupings or explicitly select the grouping columns after groupby to silence this warning.\n", " df = df_cat.groupby('length').apply(lambda x: x['tm_scores_mean'].mean())\n", "/tmp/ipykernel_13209/836779224.py:10: FutureWarning: \n", "\n", "Passing `palette` without assigning `hue` is deprecated and will be removed in v0.14.0. Assign the `x` variable to `hue` and set `legend=False` for the same effect.\n", "\n", " sns.barplot(x='length', y='inner-TM', data=df, palette=\"Spectral\", edgecolor=\"black\")\n" ] }, { "data": { "image/png": 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", "text/plain": [ "
" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "dir_path = \"../generation-results/dplm_650m/diversity\"\n", "df_cat = load_tmscore(dir_path)\n", "df_cat[\"tm_scores\"] = df_cat[\"tm_scores\"].apply(lambda x: eval(x))\n", "df_cat[\"tm_scores_mean\"] = df_cat[\"tm_scores\"].apply(lambda x: sum(x) / len(x))\n", "\n", "df = df_cat.groupby(\"length\").apply(lambda x: x[\"tm_scores_mean\"].mean())\n", "df = df.reset_index()\n", "df.columns = [\"length\", \"inner-TM\"]\n", "# plt.figure(figsize=(10, 6))\n", "sns.barplot(\n", " x=\"length\", y=\"inner-TM\", data=df, palette=\"Spectral\", edgecolor=\"black\"\n", ")\n", "plt.xlabel(\"Length\", fontdict={\"size\": 18})\n", "plt.ylabel(\"inner-TM\", fontdict={\"size\": 18})\n", "plt.xticks(size=14)\n", "plt.yticks(size=14)\n", "plt.show()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "# Novelty Analysis" ] }, { "cell_type": "code", "execution_count": 21, "metadata": {}, "outputs": [], "source": [ "df_length = []\n", "\n", "\n", "def load_tmscore(eval_dir):\n", " dfs = []\n", " for path in glob.glob(eval_dir + \"/**/inter_tmscore.csv\"):\n", " print(path)\n", " df = pd.read_csv(path)\n", " length = path.split(\"/\")[-2].split(\"_\")[-1]\n", " df[\"length\"] = [length] * len(df)\n", " dfs.append(df)\n", " df_cat = pd.concat(dfs)\n", " df_cat = df_cat.sort_values(\"length\")\n", " return df_cat" ] }, { "cell_type": "code", "execution_count": 32, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "../generation-results/dplm_650m/novelty/iter_500_L_100/inter_tmscore.csv\n", "../generation-results/dplm_650m/novelty/iter_500_L_200/inter_tmscore.csv\n", "../generation-results/dplm_650m/novelty/iter_500_L_300/inter_tmscore.csv\n", "../generation-results/dplm_650m/novelty/iter_500_L_400/inter_tmscore.csv\n", "../generation-results/dplm_650m/novelty/iter_500_L_500/inter_tmscore.csv\n" ] }, { "name": "stderr", "output_type": "stream", "text": [ "/tmp/ipykernel_13209/297249591.py:6: DeprecationWarning: DataFrameGroupBy.apply operated on the grouping columns. This behavior is deprecated, and in a future version of pandas the grouping columns will be excluded from the operation. Either pass `include_groups=False` to exclude the groupings or explicitly select the grouping columns after groupby to silence this warning.\n", " df = df_cat.groupby('length').apply(lambda x: x['tm_scores_max'].mean())\n", "/tmp/ipykernel_13209/297249591.py:10: FutureWarning: \n", "\n", "Passing `palette` without assigning `hue` is deprecated and will be removed in v0.14.0. Assign the `x` variable to `hue` and set `legend=False` for the same effect.\n", "\n", " sns.barplot(x='length', y='pdb-TM', data=df, palette=\"Spectral\", edgecolor=\"black\")\n" ] }, { "data": { "image/png": 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", "text/plain": [ "
" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "dir_path = \"../generation-results/dplm_650m/novelty\"\n", "df_cat = load_tmscore(dir_path)\n", "df_cat[\"tm_scores\"] = df_cat[\"tm_scores\"].apply(lambda x: eval(x))\n", "df_cat[\"tm_scores_max\"] = df_cat[\"tm_scores\"].apply(lambda x: max(x))\n", "\n", "df = df_cat.groupby(\"length\").apply(lambda x: x[\"tm_scores_max\"].mean())\n", "df = df.reset_index()\n", "df.columns = [\"length\", \"pdb-TM\"]\n", "# plt.figure(figsize=(10, 6))\n", "sns.barplot(\n", " x=\"length\", y=\"pdb-TM\", data=df, palette=\"Spectral\", edgecolor=\"black\"\n", ")\n", "plt.xlabel(\"Length\", fontdict={\"size\": 18})\n", "plt.ylabel(\"pdb-TM\", fontdict={\"size\": 18})\n", "plt.xticks(size=14)\n", "plt.yticks(size=14)\n", "plt.show()" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.9.19" } }, "nbformat": 4, "nbformat_minor": 2 } ================================================ FILE: configs/callbacks/default.yaml ================================================ model_summary: _target_: pytorch_lightning.callbacks.RichModelSummary max_depth: 2 # rich_progress_bar: # _target_: src.utils.callbacks.BetterRichProgressBar # leave: false model_checkpoint: _target_: byprot.utils.callbacks.ModelCheckpoint monitor: ${train.monitor} # name of the logged metric which determines when model is improving mode: ${train.mode} # "max" means higher metric value is better, can be also "min" save_top_k: 1 # save k best models (determined by above metric) save_last: True # additionaly always save model from last epoch verbose: True dirpath: "checkpoints" #${paths.ckpt_dir} filename: "epoch_{epoch}-step_{global_step}-${train.monitor}_{${train.monitor}:.2f}" auto_insert_metric_name: False every_n_train_steps: ${train.val_and_save_every_n_steps} # save_on_train_epoch_end: true every_n_epochs: null early_stopping: _target_: pytorch_lightning.callbacks.EarlyStopping monitor: ${train.monitor} # name of the logged metric which determines when model is improving mode: ${train.mode} # "max" means higher metric value is better, can be also "min" patience: ${train.patience} # how many validation epochs of not improving until training stops min_delta: 0 # minimum change in the monitored metric needed to qualify as an improvement check_on_train_epoch_end: false ================================================ FILE: configs/callbacks/fixedbb.yaml ================================================ defaults: - default.yaml model_checkpoint: _target_: byprot.utils.callbacks.ModelCheckpoint monitor: "val/acc_median" # name of the logged metric which determines when model is improving mode: "max" # "max" means higher metric value is better, can be also "min" save_top_k: 3 # save k best models (determined by above metric) save_last: True # additionaly always save model from last epoch verbose: True dirpath: ${paths.ckpt_dir} filename: "step_{global_step}-ppl_{val/ppl:.2f}-acc_median_{val/acc_median:.2f}" auto_insert_metric_name: False every_n_train_steps: 0 every_n_epochs: 1 # every_n_train_steps: 10 early_stopping: _target_: pytorch_lightning.callbacks.EarlyStopping monitor: "val/acc_median" # name of the logged metric which determines when model is improving mode: "max" # "max" means higher metric value is better, can be also "min" patience: 30 # how many validation epochs of not improving until training stops min_delta: 0 # minimum change in the monitored metric needed to qualify as an improvement check_on_train_epoch_end: false # CheckpointEveryNSteps: # _target_: src.utils.callbacks.CheckpointEveryNSteps # save_step_frequency: 5 # val_every_Nsteps: # _target_: src.utils.callbacks.ValEveryNSteps # every_n_step: 10 # model_summary: # _target_: pytorch_lightning.callbacks.RichModelSummary # max_depth: -1 # rich_progress_bar: # _target_: src.utils.callbacks.BetterRichProgressBar # leave: true # lr_monitor: # _target_: pytorch_lightning.callbacks.LearningRateMonitor # logging_interval: 'step' ================================================ FILE: configs/callbacks/lm.yaml ================================================ defaults: - default.yaml model_checkpoint: _target_: byprot.utils.callbacks.ModelCheckpoint monitor: "val/loss" # name of the logged metric which determines when model is improving mode: "min" # "max" means higher metric value is better, can be also "min" save_top_k: 10 # save k best models (determined by above metric) save_last: True # additionaly always save model from last epoch verbose: True dirpath: ${paths.ckpt_dir} filename: "step_{global_step}-loss_{val/loss:.2f}" auto_insert_metric_name: False every_n_train_steps: 1000 every_n_epochs: null early_stopping: _target_: pytorch_lightning.callbacks.EarlyStopping monitor: "val/loss" # name of the logged metric which determines when model is improving mode: "min" # "max" means higher metric value is better, can be also "min" patience: 1000 # how many validation epochs of not improving until training stops min_delta: 0 # minimum change in the monitored metric needed to qualify as an improvement check_on_train_epoch_end: false ================================================ FILE: configs/callbacks/structok.yaml ================================================ model_summary: _target_: pytorch_lightning.callbacks.RichModelSummary max_depth: 2 # rich_progress_bar: # _target_: src.utils.callbacks.BetterRichProgressBar # leave: false model_checkpoint: _target_: byprot.utils.callbacks.ModelCheckpoint monitor: ${train.monitor} # name of the logged metric which determines when model is improving mode: ${train.mode} # "max" means higher metric value is better, can be also "min" save_top_k: 3 # save k best models (determined by above metric) save_last: True # additionaly always save model from last epoch verbose: True dirpath: ${paths.ckpt_dir} filename: "epoch_{epoch}-step_{global_step}-${train.monitor}_{${train.monitor}:.2f}" auto_insert_metric_name: False every_n_train_steps: 1000 every_n_epochs: null early_stopping: _target_: pytorch_lightning.callbacks.EarlyStopping monitor: ${train.monitor} # name of the logged metric which determines when model is improving mode: ${train.mode} # "max" means higher metric value is better, can be also "min" patience: ${train.patience} # how many validation epochs of not improving until training stops min_delta: 0 # minimum change in the monitored metric needed to qualify as an improvement check_on_train_epoch_end: false ================================================ FILE: configs/config.yaml ================================================ # @package _global_ # specify here default training configuration defaults: - _self_ - callbacks: # pytorch-lightning callbacks - default # - trainer: ddp - logger: null # set logger here or use command line (e.g. `python train.py logger=tensorboard`) - paths: default - hydra: default - experiment: lm/dplm_150m # specifies pipeline and model # default name for the experiment, determines logging folder path # (you can overwrite this name in experiment configs) name: ??? train: # set False to skip model training train: True # evaluate on test set, using best model weights achieved during training # lightning chooses best weights based on the metric specified in checkpoint callback test: True debug: false force_restart: false # force to train from scratch # simply provide checkpoint path to resume training # it can be either an absolute path, # or an relative path which will then be inferred from # 1) current workding directory (cwd), or # 2) checkpoint directory (${paths.ckpt_dir}) ckpt_path: last.ckpt seed: 42 # seed for random number generators in pytorch, numpy and python.random lr: 1e-3 # learning rate monitor: ??? # name of the logged metric which determines when model is improving. Used by scheduler (plateau), checkpointer, and early stopping mode: ??? # "max" means higher metric value is better, can be also "min". Used by scheduler (plateau), checkpointer, and early stopping patience: 30 # how many validation epochs of not improving until training stops val_and_save_every_n_steps: null print_config: True # pretty print config at the start of the run using Rich library ignore_warnings: True # disable python warnings if they annoy you seed: 42 # seed for random number generators in pytorch, numpy and python.random ================================================ FILE: configs/datamodule/cath_4.3.yaml ================================================ _target_: cath # data_dir: ${data_dir} # data_dir is specified in config.yaml #data_dir: '/root/research/data/protein/cath_esm' data_dir: ${paths.data_dir}/cath_4.3 # data_dir: '/root/neurips19-graph-protein-design/data/cath' chain_set_jsonl: "chain_set.jsonl" chain_set_splits_json: "chain_set_splits.json" max_length: 500 # 393 atoms: ["N", "CA", "C", "O"] # alphabet related alphabet: name: esm featurizer: cath # dataloader related max_tokens: 6000 sort: true num_workers: 8 pin_memory: true filter_nan: false ================================================ FILE: configs/datamodule/pdb.yaml ================================================ _target_: pdb # data_dir: ${data_dir} # data_dir is specified in config.yaml # CSV for path and metadata to training examples. dataset: seed: 42 cache_num_res: 0 samples_per_eval_length: 5 crop_size: 128 eval_num_lengths: 8 eval_max_len: 256 data_dir: /root/research/data/protein/processed_pdb csv_path: ${.data_dir}/metadata.csv train_split: pdb valid_split: cameo2022 filter: max_len: 128 min_len: 0 # Selects a subset of examples. Useful for debugging. subset: null allowed_oligomer: [monomeric] max_helix_percent: 1.0 max_loop_percent: 0.5 min_beta_percent: -1.0 rog_quantile: 0.96 loader: num_workers: 8 prefetch_factor: 10 sampler: max_batch_size: 100 max_num_res_squared: 500_000 ================================================ FILE: configs/datamodule/tokenized_protein.yaml ================================================ _target_: tokenized_protein data_dir: ${paths.data_dir} # dataloader related max_tokens: 6000 max_len: 1022 num_workers: 8 csv_file: pdb_swissprot vocab_file: airkingbd/dplm2_650m # or a vocab.txt file from local length_crop: true cluster_training: false min_crop_length: 60 struct_vocab_size: 8192 ================================================ FILE: configs/datamodule/uniref50.yaml ================================================ _target_: uniref50 # data_dir: ${data_dir} # data_dir is specified in config.yaml data_dir: ${paths.data_dir}/uniref50 # dataloader related max_tokens: 6000 max_len: 1022 num_workers: 8 ================================================ FILE: configs/datamodule/uniref50_hf.yaml ================================================ _target_: uniref50_hf # data_dir: ${data_dir} # data_dir is specified in config.yaml data_dir: ${paths.data_dir}/uniref50_hf # dataloader related max_tokens: 6000 max_len: 1022 num_workers: 8 ================================================ FILE: configs/experiment/base.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: cath_4.2 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs name: "fixedbb/protein_mpnn-cath_esm" ================================================ FILE: configs/experiment/dplm/cond_dplm_150m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: cath_4.3 - /callbacks: fixedbb - /trainer: ddp_fp16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_cond_650m" name: "dplm_cond_650m_cath4.3" datamodule: alphabet: name: esm featurizer: cath featurizer_cfg: coord_nan_to_zero: false model: _target_: dplm_invfold decoder: num_diffusion_timesteps: 100 adapter_dropout: 0.1 dplm_name: airkingbd/dplm_150m encoder_d_model: ${model.encoder.d_model} encoder: _target_: gvp_trans_encoder output_logits: ${task.learning.output_encoder_logits} d_model: 512 init_pred_where: true task: _target_: lm/dplm_invfold alphabet: ${datamodule.alphabet} learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear output_encoder_logits: true criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.0001 lr_scheduler: type: noam warmup_steps: 4000 model_size: 128 lr: ${train.lr} warmup_init_lr: 1e-07 generator: max_iter: 10 strategy: "discrete_diffusion" temperature: 1.0 eval_plddt: False sampling_strategy: "argmax" use_draft_seq: true train: seed: 42 lr: 0.001 monitor: "val/acc_median" mode: "max" trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 200_000 accumulate_grad_batches: 1 check_val_every_n_epoch: 1 val_check_interval: 1.0 enable_progress_bar: true ================================================ FILE: configs/experiment/dplm/cond_dplm_3b.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: cath_4.3 - /callbacks: fixedbb - /trainer: ddp_fp16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_cond_650m" name: "dplm_cond_650m_cath4.3" datamodule: alphabet: name: esm featurizer: cath featurizer_cfg: coord_nan_to_zero: false model: _target_: dplm_invfold decoder: num_diffusion_timesteps: 100 adapter_dropout: 0.3 dplm_name: airkingbd/dplm_3b encoder_d_model: ${model.encoder.d_model} encoder: _target_: gvp_trans_encoder output_logits: ${task.learning.output_encoder_logits} d_model: 512 init_pred_where: true task: _target_: lm/dplm_invfold alphabet: ${datamodule.alphabet} learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear output_encoder_logits: true criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.0001 lr_scheduler: type: noam warmup_steps: 4000 model_size: 128 lr: ${train.lr} warmup_init_lr: 1e-07 generator: max_iter: 10 strategy: "discrete_diffusion" temperature: 1.0 eval_plddt: False sampling_strategy: "argmax" use_draft_seq: true train: seed: 42 lr: 0.001 monitor: "val/acc_median" mode: "max" trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 200_000 accumulate_grad_batches: 1 check_val_every_n_epoch: 1 val_check_interval: 1.0 enable_progress_bar: true ================================================ FILE: configs/experiment/dplm/cond_dplm_650m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: cath_4.3 - /callbacks: fixedbb - /trainer: ddp_fp16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_cond_650m" name: "dplm_cond_650m_cath4.3" datamodule: alphabet: name: esm featurizer: cath featurizer_cfg: coord_nan_to_zero: false model: _target_: dplm_invfold decoder: num_diffusion_timesteps: 100 adapter_dropout: 0.1 dplm_name: airkingbd/dplm_650m encoder_d_model: ${model.encoder.d_model} encoder: _target_: gvp_trans_encoder output_logits: ${task.learning.output_encoder_logits} d_model: 512 init_pred_where: true task: _target_: lm/dplm_invfold alphabet: ${datamodule.alphabet} learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear output_encoder_logits: true criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.0001 lr_scheduler: type: noam warmup_steps: 4000 model_size: 128 lr: ${train.lr} warmup_init_lr: 1e-07 generator: max_iter: 10 strategy: "discrete_diffusion" temperature: 1.0 eval_plddt: False sampling_strategy: "argmax" use_draft_seq: true train: seed: 42 lr: 0.001 monitor: "val/acc_median" mode: "max" trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 200_000 accumulate_grad_batches: 1 check_val_every_n_epoch: 1 val_check_interval: 1.0 enable_progress_bar: true ================================================ FILE: configs/experiment/dplm/dplm_150m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_150m" name: "dplm_150m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t30_150M_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_150m_ds.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: deepspeed_zero2_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_150m" name: "dplm_150m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t30_150M_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: fusedadam _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_150m_stage2.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_fp16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_150m" name: "dplm_150m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t30_150M_UR50D dropout: 0.1 pretrain: true pretrained_model_name_or_path: facebook/esm2_t30_150M_UR50D task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_15b_ds.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: deepspeed_zero2_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_15b" name: "dplm_15b" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: esm2_t48_15B_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: fusedadam _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_30b_ds.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf_hf - /callbacks: lm - /trainer: deepspeed_zero3_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_30b" name: "dplm_30b" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t60_30B_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: fusedadam _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_3b.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_3b" name: "dplm_3b" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t36_3B_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_3b_ds.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: deepspeed_zero2_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_3b" name: "dplm_3b" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t36_3B_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: fusedadam _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_3b_stage2.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_3b" name: "dplm_3b" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t36_3B_UR50D dropout: 0.1 pretrain: true pretrained_model_name_or_path: facebook/esm2_t36_3B_UR50D task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_650m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_650m" name: "dplm_650m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t33_650M_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_650m_ds.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: deepspeed_zero2_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_650m" name: "dplm_650m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t33_650M_UR50D dropout: 0.1 task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: fusedadam _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/dplm_650m_stage2.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM_650m" name: "dplm_650m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm num_diffusion_timesteps: 500 gradient_ckpt: false rdm_couple: false lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: facebook/esm2_t33_650M_UR50D dropout: 0.1 pretrain: true pretrained_model_name_or_path: facebook/esm2_t33_650M_UR50D task: _target_: lm/dplm learning: noise: random_mask # enable cmlm training with uniform random masking watch_t1_t2_loss: false cal_constant_loss: false weight: linear criterion: _target_: byprot.modules.cross_entropy.RDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.00004 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 0 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm/mlm_150m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: uniref50_hf - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "MLM_150m" name: "mlm_150m" datamodule: max_tokens: 6000 max_len: 1022 model: _target_: dplm_esm net: arch_type: esm name: facebook/esm2_t30_150M_UR50D dropout: 0.0 lora: enable: false task: _target_: lm/mlm learning: noise: random_mask # enable cmlm training with uniform random masking mlm_prob: 0.15 criterion: _target_: byprot.modules.cross_entropy.Coord2SeqCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 4e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 4e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.0 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 500_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm2/dplm2_150m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: tokenized_protein - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM2_150m" name: "dplm2_150m" datamodule: csv_file: pdb_swissprot struct_vocab_size: 8192 max_tokens: 4000 max_len: 512 model: _target_: dplm2 num_diffusion_timesteps: 500 gradient_ckpt: false vocab_size: ${datamodule.struct_vocab_size} freeze_backbone: false training_stage: train_from_dplm single_modality_ratio: 0.25 folding_loss_ratio: 0.25 inverse_folding_loss_ratio: 0.25 joint_loss_ratio: 0.25 independent_loss_ratio: 0.0 lora: enable: true lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: airkingbd/dplm_150m dropout: 0.1 pretrain: true pretrained_model_name_or_path: airkingbd/dplm_150m self_mixup: enable: false with_original_loss: false tokenizer: vocab_file: ${datamodule.data_dir}/${datamodule.csv_file}/vocab_aa_struct.txt struct_tokenizer: exp_path: airkingbd/struct_tokenizer task: _target_: lm/dplm2 learning: watch_t1_t2_loss: false cal_constant_loss: true weight: linear criterion: _target_: byprot.modules.cross_entropy.StructAARDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 1e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.5 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 500 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm2/dplm2_3b.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: tokenized_protein - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM2_3b" name: "dplm2_3b" datamodule: csv_file: pdb_swissprot struct_vocab_size: 8192 max_tokens: 4000 max_len: 512 model: _target_: dplm2 num_diffusion_timesteps: 500 gradient_ckpt: false vocab_size: ${datamodule.struct_vocab_size} freeze_backbone: false training_stage: train_from_dplm single_modality_ratio: 0.25 folding_loss_ratio: 0.25 inverse_folding_loss_ratio: 0.25 joint_loss_ratio: 0.25 independent_loss_ratio: 0.0 lora: enable: true lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: airkingbd/dplm_3b dropout: 0.1 pretrain: true pretrained_model_name_or_path: airkingbd/dplm_3b self_mixup: enable: false with_original_loss: false tokenizer: vocab_file: ${datamodule.data_dir}/${datamodule.csv_file}/vocab_aa_struct.txt struct_tokenizer: exp_path: airkingbd/struct_tokenizer task: _target_: lm/dplm2 learning: watch_t1_t2_loss: false cal_constant_loss: true weight: linear criterion: _target_: byprot.modules.cross_entropy.StructAARDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 1e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.5 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 500 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm2/dplm2_650m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: tokenized_protein - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM2_650m" name: "dplm2_650m" datamodule: data_dir: ${paths.data_dir} csv_file: pdb_swissprot vocab_file: airkingbd/dplm2_650m struct_vocab_size: 8192 max_tokens: 4000 max_len: 512 model: _target_: dplm2 num_diffusion_timesteps: 500 gradient_ckpt: false training_stage: train_from_dplm single_modality_ratio: 0.25 folding_loss_ratio: 0.25 inverse_folding_loss_ratio: 0.25 joint_loss_ratio: 0.25 independent_loss_ratio: 0.0 lora: enable: true lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: airkingbd/dplm_650m dropout: 0.1 pretrain: true pretrained_model_name_or_path: airkingbd/dplm_650m self_mixup: enable: false with_original_loss: false tokenizer: vocab_file: ${datamodule.vocab_file} vocab_size: 33 struct_tokenizer: exp_path: airkingbd/struct_tokenizer task: _target_: lm/dplm2 learning: watch_t1_t2_loss: false cal_constant_loss: true weight: linear criterion: _target_: byprot.modules.cross_entropy.StructAARDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 1e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.5 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 500 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm2/dplm2_650m_selfmixup.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: tokenized_protein - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM2_650m" name: "dplm2_650m" datamodule: csv_file: pdb_swissprot struct_vocab_size: 8192 max_tokens: 4000 max_len: 512 model: _target_: dplm2 num_diffusion_timesteps: 500 gradient_ckpt: false vocab_size: ${datamodule.struct_vocab_size} freeze_backbone: false training_stage: train_from_dplm single_modality_ratio: 0.25 folding_loss_ratio: 0.25 inverse_folding_loss_ratio: 0.25 joint_loss_ratio: 0.25 independent_loss_ratio: 0.0 lora: enable: true lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: airkingbd/dplm_650m dropout: 0.1 pretrain: true pretrained_model_name_or_path: /path/to/your/pretrained/dplm2/model # ends with ".ckpt" self_mixup: enable: true with_original_loss: false tokenizer: vocab_file: ${datamodule.data_dir}/${datamodule.csv_file}/vocab_aa_struct.txt struct_tokenizer: exp_path: airkingbd/struct_tokenizer task: _target_: lm/dplm2 learning: watch_t1_t2_loss: false cal_constant_loss: true weight: linear criterion: _target_: byprot.modules.cross_entropy.StructAARDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 1e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.5 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 500 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/dplm2/dplm2_bit_650m.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: tokenized_protein - /callbacks: lm - /trainer: ddp_bf16 # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "DPLM2_650m" name: "dplm2_bit_650m" datamodule: data_dir: ${paths.data_dir} csv_file: pdb_swissprot # huggingface url or local path of csv file vocab_file: airkingbd/dplm2_650m # huggingface url or local path of vocab file struct_vocab_size: 8192 max_tokens: 4000 max_len: 512 model: _target_: dplm2_bit num_diffusion_timesteps: 500 gradient_ckpt: false training_stage: train_from_dplm single_modality_ratio: 0.25 folding_loss_ratio: 0.25 inverse_folding_loss_ratio: 0.25 joint_loss_ratio: 0.25 independent_loss_ratio: 0.0 lora: enable: false lora_rank: 16 lora_dropout: 0.1 lora_target_module: (esm.encoder.layer.[0-9]*.attention.(self.query|self.key|self.value|output.dense).*|esm.encoder.layer.[0-9]*.(intermediate|output).dense.*) modules_to_save: lm_head,esm.embeddings net: arch_type: esm name: airkingbd/dplm_650m dropout: 0.1 pretrain: true pretrained_model_name_or_path: airkingbd/dplm_650m self_mixup: enable: false with_original_loss: false tokenizer: vocab_file: ${datamodule.vocab_file} vocab_size: 33 struct_tokenizer: exp_path: airkingbd/struct_tokenizer bit: load_from_pretrained: false load_path: /path/to/pretrained/dplm2_bit/model task: _target_: lm/dplm2 learning: watch_t1_t2_loss: false cal_constant_loss: true weight: linear criterion: _target_: byprot.modules.cross_entropy.StructAARDMCrossEntropyLoss label_smoothing: 0.0 ignore_index: 1 optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 # 0.0001 lr_scheduler: type: polynomial warmup_steps: 2000 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-5 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 1e-4 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 0.5 # val_check_interval: 10 num_sanity_val_steps: 1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 100_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 500 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/experiment/structok/inference/forward_folding.yaml ================================================ # This config is highly inspired by the MultiFlow (https://github.com/jasonkyuyim/multiflow) repo. env: PROJECT_ROOT: /root/research/projects/ByProt inference: predict_dir: .local/inference_outputs/ inference_subdir: run_${now:%Y-%m-%d}_${now:%H-%M-%S} seed: 123 use_gpu: True num_gpus: 1 metadata: data_dir: ./data-bin csv_path: ${.data_dir}/metadata/pdb_afdb_cameo.csv task: forward_folding also_fold_pmpnn_seq: False # whether to also fold the generated pmpnn seq for each structure write_sample_trajectories: False # whether to also save the trajectory of the generation process no_self_consistency: true input_fasta_dir: /path/to/fasta/dir # Directory of software, weights, and outputs. pmpnn_dir: vendor/ProteinMPNN folding: seq_per_sample: 1 folding_model: esmf own_device: False pmpnn_path: ${..pmpnn_dir} pt_hub_dir: null colabfold_path: path/to/colabfold-conda/bin/colabfold_batch # for AF2 struct_tokenizer: exp_path: airkingbd/struct_tokenizer samples: # Number of backbone samples per sequence length. samples_per_length: 20 # Batch size when sampling from the model num_batch: -1 # Subset of lengths to sample. If null, sample all targets. # length_subset: null # length_subset: [70, 100, 200, 300] length_subset: [70, 100, 200, 300] # Minimum sequence length to sample. min_length: 60 # Maximum sequence length to sample. max_length: 256 # 256 # gap between lengths to sample. i.e. this script will sample all lengths # in range(min_length, max_length, length_step) length_step: 1 saved_ckpt_dir: ./saved_ckpts/frameflow unconditional_ckpt_path: ./weights/last.ckpt interpolant: min_t: 1e-2 provide_kappa: False codesign_separate_t: False rots: corrupt: True sample_schedule: exp exp_rate: 10 trans: corrupt: True pre_align: True train_schedule: linear sample_schedule: linear sample_temp: 1.0 potential: null potential_t_scaling: False rog: weight: 20.0 cutoff: 5.0 aatypes: corrupt: True schedule: linear schedule_exp_rate: -3 temp: 0.1 noise: 20.0 do_purity: True interpolant_type: masking sampling: num_timesteps: 500 do_sde: False self_condition: True ================================================ FILE: configs/experiment/structok/inference/inverse_folding.yaml ================================================ # This config is highly inspired by the MultiFlow (https://github.com/jasonkyuyim/multiflow) repo. env: PROJECT_ROOT: /root/research/projects/ByProt inference: predict_dir: .local/inference_outputs/ inference_subdir: run_${now:%Y-%m-%d}_${now:%H-%M-%S} # task: unconditional # task: forward_folding seed: 123 use_gpu: True num_gpus: 1 metadata: data_dir: ./data-bin csv_path: ${.data_dir}/metadata/pdb_afdb_cameo.csv task: inverse_folding also_fold_pmpnn_seq: false # whether to also fold the generated pmpnn seq for each structure write_sample_trajectories: False # whether to also save the trajectory of the generation process no_self_consistency: true # input_fasta_dir: /root/research/projects/ByProt/.local/DPLM_Structok_150m/inverse_folding/step50000_lr2e-4_dp0.1_bsz32_clip0.5_ptrntrue_ourvocab_lddt_mm_cluster50_split_step10499_IF_cluster input_fasta_dir: /path/to/input/fasta/folder # Directory of software, weights, and outputs. pmpnn_dir: vendor/ProteinMPNN folding: seq_per_sample: 1 folding_model: esmf own_device: False pmpnn_path: ${..pmpnn_dir} pt_hub_dir: null #./.cache/torch/ colabfold_path: path/to/colabfold-conda/bin/colabfold_batch # for AF2 struct_tokenizer: exp_path: airkingbd/struct_tokenizer samples: # Number of backbone samples per sequence length. samples_per_length: 20 # Batch size when sampling from the model num_batch: -1 # Subset of lengths to sample. If null, sample all targets. # length_subset: null # length_subset: [70, 100, 200, 300] length_subset: [70, 100, 200, 300] # Minimum sequence length to sample. min_length: 60 # Maximum sequence length to sample. max_length: 256 # 256 # gap between lengths to sample. i.e. this script will sample all lengths # in range(min_length, max_length, length_step) length_step: 1 saved_ckpt_dir: ./saved_ckpts/frameflow inverse_folding_ckpt_path: ./weights/last.ckpt interpolant: min_t: 1e-2 provide_kappa: False codesign_separate_t: False rots: corrupt: True sample_schedule: exp exp_rate: 10 trans: corrupt: True pre_align: True train_schedule: linear sample_schedule: linear sample_temp: 1.0 potential: null potential_t_scaling: False rog: weight: 20.0 cutoff: 5.0 aatypes: corrupt: True schedule: linear schedule_exp_rate: -3 temp: 0.1 noise: 20.0 do_purity: True interpolant_type: masking sampling: num_timesteps: 500 do_sde: False self_condition: True ================================================ FILE: configs/experiment/structok/inference/reconstruction.yaml ================================================ # This config is highly inspired by the MultiFlow (https://github.com/jasonkyuyim/multiflow) repo. env: PROJECT_ROOT: /root/research/projects/ByProt inference: predict_dir: .local/inference_outputs/ inference_subdir: run_${now:%Y-%m-%d}_${now:%H-%M-%S} # task: unconditional # task: forward_folding seed: 123 use_gpu: True num_gpus: 1 metadata: data_dir: ./data-bin csv_path: ${.data_dir}/metadata/pdb_afdb_cameo.csv task: reconstruction also_fold_pmpnn_seq: False # whether to also fold the generated pmpnn seq for each structure write_sample_trajectories: False # whether to also save the trajectory of the generation process no_self_consistency: true input_pdb_folder: /root/research/projects/ByProt/data/cameo2022/pdb3 # Directory of software, weights, and outputs. pmpnn_dir: vendor/ProteinMPNN folding: seq_per_sample: 1 folding_model: esmf own_device: False pmpnn_path: ${..pmpnn_dir} pt_hub_dir: null #./.cache/torch/ colabfold_path: path/to/colabfold-conda/bin/colabfold_batch # for AF2 struct_tokenizer: exp_path: airkingbd/struct_tokenizer samples: # Number of backbone samples per sequence length. samples_per_length: 20 # Batch size when sampling from the model num_batch: -1 # Subset of lengths to sample. If null, sample all targets. # length_subset: null # length_subset: [70, 100, 200, 300] length_subset: [70, 100, 200, 300] # Minimum sequence length to sample. min_length: 60 # Maximum sequence length to sample. max_length: 256 # 256 # gap between lengths to sample. i.e. this script will sample all lengths # in range(min_length, max_length, length_step) length_step: 1 saved_ckpt_dir: ./saved_ckpts/frameflow unconditional_ckpt_path: ./weights/last.ckpt interpolant: min_t: 1e-2 provide_kappa: False codesign_separate_t: False rots: corrupt: True sample_schedule: exp exp_rate: 10 trans: corrupt: True pre_align: True train_schedule: linear sample_schedule: linear sample_temp: 1.0 potential: null potential_t_scaling: False rog: weight: 20.0 cutoff: 5.0 aatypes: corrupt: True schedule: linear schedule_exp_rate: -3 temp: 0.1 noise: 20.0 do_purity: True interpolant_type: masking sampling: num_timesteps: 500 do_sde: False self_condition: True ================================================ FILE: configs/experiment/structok/inference/unconditional.yaml ================================================ # This config is highly inspired by the MultiFlow (https://github.com/jasonkyuyim/multiflow) repo. env: PROJECT_ROOT: /root/research/projects/ByProt inference: predict_dir: .local/inference_outputs/ inference_subdir: run_${now:%Y-%m-%d}_${now:%H-%M-%S} seed: 123 use_gpu: True num_gpus: 1 metadata: data_dir: ./data-bin csv_path: ${.data_dir}/metadata/pdb_afdb_cameo.csv task: unconditional input_fasta_dir: /path/to/fasta/dir compute_metrics: true #false no_self_consistency: false also_fold_pmpnn_seq: True # whether to also fold the generated pmpnn seq for each structure write_sample_trajectories: False # whether to also save the trajectory of the generation process calculate_diversity: True # whether to calculate the diversity of the generated structures # Directory of software, weights, and outputs. pmpnn_dir: vendor/ProteinMPNN folding: seq_per_sample: 1 folding_model: esmf own_device: False pmpnn_path: ${..pmpnn_dir} pt_hub_dir: null #./.cache/torch/ colabfold_path: path/to/colabfold-conda/bin/colabfold_batch # for AF2 struct_tokenizer: exp_path: airkingbd/struct_tokenizer ================================================ FILE: configs/experiment/structok/inference/unconditional_codesign.yaml ================================================ # This config is highly inspired by the MultiFlow (https://github.com/jasonkyuyim/multiflow) repo. env: PROJECT_ROOT: /root/research/projects/ByProt inference: predict_dir: .local/inference_outputs/ inference_subdir: run_${now:%Y-%m-%d}_${now:%H-%M-%S} seed: 123 use_gpu: True num_gpus: 1 metadata: data_dir: ./data-bin csv_path: ${.data_dir}/metadata/pdb_afdb_cameo.csv task: unconditional_codesign input_fasta_dir: /path/to/fasta/dir compute_metrics: True #false no_self_consistency: True also_fold_pmpnn_seq: False # whether to also fold the generated pmpnn seq for each structure write_sample_trajectories: False # whether to also save the trajectory of the generation process calculate_diversity: True # whether to calculate the diversity of the generated structures # Directory of software, weights, and outputs. pmpnn_dir: vendor/ProteinMPNN folding: seq_per_sample: 1 folding_model: esmf own_device: False pmpnn_path: ${..pmpnn_dir} pt_hub_dir: null #./.cache/torch/ colabfold_path: path/to/colabfold-conda/bin/colabfold_batch # for AF2 struct_tokenizer: exp_path: airkingbd/struct_tokenizer ================================================ FILE: configs/experiment/structok/structok_lfq_8k_pdb_swissprot_c512.yaml ================================================ # @package _global_ # to execute this experiment run: # python train.py experiment=example defaults: - /datamodule: pdb - /callbacks: structok - /trainer: default # all parameters below will be merged with parameters from default configurations set above # this allows you to overwrite only specified parameters # name of the run determines folder name in logs project: "structok" name: "structok/dplm2_structok" datamodule: dataset: seed: 42 cache_num_res: 0 crop_size: 512 eval_max_len: ${.crop_size} data_dir: ${paths.data_dir} csv_path: ${.data_dir}/metadata.pdb_afdb_cameo.plddt.structok_lfq.csv train_split: [pdb, afdb_swissprot] valid_split: [cameo2022] load_gvp_feat: false filter: max_len: 1024 min_len: 60 # Selects a subset of examples. Useful for debugging. subset: null allowed_oligomer: [monomeric] # allowed_oligomer: null max_helix_percent: 1.0 max_loop_percent: 0.5 min_beta_percent: -1.0 rog_quantile: 0.96 cluster_sample: false conf_masking: false #true loader: batch_size: 5 num_workers: 8 prefetch_factor: 10 sampler: max_batch_size: 20 max_num_res_squared: 1_000_000 model: _target_: structok_lfq codebook_config: freeze: false num_codes: 8192 # 2^13 embed_dim: 13 entropy_loss_weight: 0.1 commitment_loss_weight: 0.25 encoder_config: freeze: true decoder_config: input_dim: 128 trunk: num_blocks: 4 sequence_state_dim: 128 pairwise_state_dim: 32 max_recycles: 1 structure_module: c_s: 128 c_z: 32 no_blocks: 8 no_angles: 7 gradient_checkpointing: false task: _target_: struct_tokenizer/structok learning: pretrained_model_path: null no_pretrained_decoder: false restore_optimizer: false criterion: _target_: byprot.models.structok.modules.loss.StructureVQLoss config: rec_loss: eps: 1e-06 violation: weight: 0.3 codebook_loss: weight: 1.0 num_codes: ${model.codebook_config.num_codes} optimizer: type: adamw _partial_: true lr: ${train.lr} betas: - 0.9 - 0.98 weight_decay: 0.01 lr_scheduler: type: polynomial warmup_steps: 1 total_steps: ${trainer.max_steps} lr: ${train.lr} lr_end: 1e-7 warmup_init_lr: 1e-07 power: 1 train: seed: 42 lr: 0.0005 monitor: "val/loss" mode: "min" patience: 1000 trainer: min_epochs: 10 max_epochs: 10000 gradient_clip_val: 1.0 # val_check_interval: 10 num_sanity_val_steps: -1 reload_dataloaders_every_n_epochs: 1 use_distributed_sampler: false max_steps: 200_000 accumulate_grad_batches: 1 check_val_every_n_epoch: null val_check_interval: 1000 enable_progress_bar: true num_nodes: 1 ================================================ FILE: configs/hydra/default.yaml ================================================ # https://hydra.cc/docs/configure_hydra/intro/ # enable color logging defaults: - override hydra_logging: colorlog - override job_logging: colorlog # output directory, generated dynamically on each run run: dir: ${paths.log_dir} # sweep: # dir: ${paths.log_dir}/multiruns # subdir: ${hydra.job.num} ================================================ FILE: configs/logger/tensorboard.yaml ================================================ # https://www.tensorflow.org/tensorboard/ tensorboard: _target_: pytorch_lightning.loggers.tensorboard.TensorBoardLogger save_dir: "tensorboard/" name: null version: ${name} log_graph: False default_hp_metric: True prefix: "" ================================================ FILE: configs/logger/wandb.yaml ================================================ # https://wandb.ai wandb: _target_: byprot.utils.logger.ByProtWandbLogger # lightning.pytorch.loggers.wandb.WandbLogger project: ${project} id: null # pass correct id to resume experiment! name: ${name} save_dir: ${paths.log_dir} offline: False # set True to store all logs only locally # entity: "" # set to name of your wandb team log_model: False prefix: "" job_type: "train" group: "" tags: [] ================================================ FILE: configs/paths/default.yaml ================================================ # path to root directory # this requires PROJECT_ROOT environment variable to exist # PROJECT_ROOT is inferred and set by pyrootutils package in entry_point program e.g., `train.py`. root_dir: ${oc.env:PROJECT_ROOT} # path to data directory data_dir: ${paths.root_dir}/data-bin # path to logging directory, which is also # the path to output directory, created dynamically by hydra # path generation pattern is specified in `configs/hydra/default.yaml` # use it to store all files generated during the run, like ckpts and metrics log_dir: ${paths.root_dir}/logs/${name} #log_dir: ${paths.root_dir}/byprot-tensorboard/${name} ckpt_dir: ${paths.log_dir}/checkpoints ================================================ FILE: configs/test.yaml ================================================ # @package _global_ # specify here default evaluation configuration defaults: - _self_ - config experiment_path: ??? # experiment folder containing checkpoints and configs (.hydra) ckpt_path: ??? # passing checkpoint path is necessary data_split: test # train, valid, test mode: [test, predict] # test, or predict ================================================ FILE: configs/trainer/ddp.yaml ================================================ defaults: - default.yaml accelerator: "cuda" devices: "auto" strategy: ddp_find_unused_parameters_true # ddp_sharded precision: 32 # sync_batchnorm: True ================================================ FILE: configs/trainer/ddp_bf16.yaml ================================================ defaults: - ddp.yaml precision: "bf16" ================================================ FILE: configs/trainer/ddp_fp16.yaml ================================================ defaults: - ddp.yaml precision: 16 ================================================ FILE: configs/trainer/deepspeed_zero2.yaml ================================================ defaults: - default.yaml accelerator: "cuda" devices: "auto" strategy: "deepspeed_stage_2" precision: 16 # sync_batchnorm: True ================================================ FILE: configs/trainer/deepspeed_zero2_bf16.yaml ================================================ defaults: - deepspeed_zero2.yaml precision: "bf16" # sync_batchnorm: True ================================================ FILE: configs/trainer/deepspeed_zero2_fp16.yaml ================================================ defaults: - deepspeed_zero2.yaml precision: 16 # sync_batchnorm: True ================================================ FILE: configs/trainer/deepspeed_zero2_offload.yaml ================================================ defaults: - default.yaml accelerator: "cuda" devices: "auto" strategy: "deepspeed_stage_2_offload" precision: 16 # sync_batchnorm: True ================================================ FILE: configs/trainer/deepspeed_zero3.yaml ================================================ defaults: - default.yaml accelerator: "cuda" devices: "auto" strategy: "deepspeed_stage_3" precision: 16 # sync_batchnorm: True ================================================ FILE: configs/trainer/deepspeed_zero3_bf16.yaml ================================================ defaults: - deepspeed_zero3.yaml precision: "bf16" # sync_batchnorm: True ================================================ FILE: configs/trainer/default.yaml ================================================ _target_: pytorch_lightning.Trainer accelerator: "gpu" devices: "auto" min_epochs: 1 max_epochs: 10 enable_progress_bar: true log_every_n_steps: 10 val_check_interval: ${train.val_and_save_every_n_steps} check_val_every_n_epoch: null # number of validation steps to execute at the beginning of the training # num_sanity_val_steps: 0 # ckpt path # resume_from_checkpoint: null ================================================ FILE: env.yml ================================================ name: ByProt channels: - defaults dependencies: - _libgcc_mutex=0.1=main - _openmp_mutex=5.1=1_gnu - ca-certificates=2023.01.10=h06a4308_0 - certifi=2022.12.7=py37h06a4308_0 - ld_impl_linux-64=2.38=h1181459_1 - libffi=3.4.4=h6a678d5_0 - libgcc-ng=11.2.0=h1234567_1 - libgomp=11.2.0=h1234567_1 - libstdcxx-ng=11.2.0=h1234567_1 - ncurses=6.4=h6a678d5_0 - openssl=1.1.1t=h7f8727e_0 - pip=22.3.1=py37h06a4308_0 - python=3.7.16=h7a1cb2a_0 - readline=8.2=h5eee18b_0 - setuptools=65.6.3=py37h06a4308_0 - sqlite=3.41.2=h5eee18b_0 - tk=8.6.12=h1ccaba5_0 - wheel=0.38.4=py37h06a4308_0 - xz=5.4.2=h5eee18b_0 - zlib=1.2.13=h5eee18b_0 - pip: - absl-py==1.4.0 - aiohttp==3.8.4 - aiosignal==1.3.1 - alabaster==0.7.13 - alembic==1.11.1 - antlr4-python3-runtime==4.9.3 - anyio==3.7.0 - argon2-cffi==21.3.0 - argon2-cffi-bindings==21.2.0 - async-timeout==4.0.2 - asynctest==0.13.0 - attrs==23.1.0 - autopage==0.5.1 - babel==2.12.1 - backcall==0.2.0 - beautifulsoup4==4.12.2 - biopython==1.79 - biotite==0.37.0 - black==23.3.0 - bleach==6.0.0 - byted-torch==1.12.0.post0 - byteps==0.3.0 - cachetools==5.3.1 - cffi==1.15.1 - cfgv==3.3.1 - charset-normalizer==3.1.0 - click==8.1.3 - cliff==3.10.1 - cloudpickle==2.2.1 - cmaes==0.9.1 - cmd2==2.4.3 - colorlog==6.7.0 - cycler==0.11.0 - debugpy==1.6.7 - decorator==5.1.1 - defusedxml==0.7.1 - dgl-cu113==0.9.1.post1 - dglgo==0.0.2 - distlib==0.3.6 - docutils==0.19 - e3nn==0.5.1 - einops==0.6.1 - entrypoints==0.4 - exceptiongroup==1.1.1 - fair-esm==2.0.1 - fairscale==0.4.6 - fastjsonschema==2.17.1 - filelock==3.12.0 - flake8==5.0.4 - fonttools==4.38.0 - frozenlist==1.3.3 - fsspec==2023.1.0 - google-auth==2.19.1 - google-auth-oauthlib==0.4.6 - greenlet==2.0.2 - grpcio==1.54.2 - hydra-colorlog==1.2.0 - hydra-core==1.2.0 - hydra-optuna-sweeper==1.2.0 - identify==2.5.24 - idna==3.4 - imagesize==1.4.1 - importlib-metadata==6.7.0 - importlib-resources==5.12.0 - iniconfig==2.0.0 - ipykernel==6.16.2 - ipython==7.34.0 - ipython-genutils==0.2.0 - isort==5.11.5 - jedi==0.18.2 - jinja2==3.1.2 - joblib==1.2.0 - jsonschema==4.17.3 - jupyter-client==7.4.9 - jupyter-core==4.12.0 - jupyter-server==1.24.0 - jupyterlab-pygments==0.2.2 - kiwisolver==1.4.4 - littleutils==0.2.2 - lmdb==1.4.1 - mako==1.2.4 - markdown==3.3.4 - markdown-it-py==2.2.0 - markupsafe==2.1.3 - matplotlib==3.5.3 - matplotlib-inline==0.1.6 - mccabe==0.7.0 - mdurl==0.1.2 - mistune==2.0.5 - mpmath==1.3.0 - msgpack==1.0.5 - multidict==6.0.4 - mypy-extensions==1.0.0 - nbclassic==1.0.0 - nbclient==0.7.4 - nbconvert==7.4.0 - nbformat==5.8.0 - nbstripout==0.6.1 - nest-asyncio==1.5.6 - networkx==2.6.3 - nodeenv==1.8.0 - notebook==6.5.4 - notebook-shim==0.2.3 - numpy==1.21.6 - numpydoc==1.5.0 - oauthlib==3.2.2 - ogb==1.3.6 - omegaconf==2.3.0 - opt-einsum==3.3.0 - opt-einsum-fx==0.1.4 - optuna==2.10.1 - outdated==0.2.2 - packaging==23.1 - pandas==1.3.5 - pandocfilters==1.5.0 - parso==0.8.3 - pathspec==0.11.1 - pbr==5.11.1 - pexpect==4.8.0 - pickleshare==0.7.5 - pillow==9.5.0 - pkgutil-resolve-name==1.3.10 - platformdirs==2.6.2 - pluggy==1.0.0 - portalocker==2.7.0 - pre-commit==2.21.0 - prettytable==3.7.0 - prometheus-client==0.17.0 - prompt-toolkit==3.0.38 - protobuf==3.20.3 - psutil==5.9.5 - ptyprocess==0.7.0 - pudb==2022.1.3 - pyasn1==0.5.0 - pyasn1-modules==0.3.0 - pycodestyle==2.9.1 - pycparser==2.21 - pydantic==1.10.9 - pydeprecate==0.3.2 - pyflakes==2.5.0 - pygments==2.15.1 - pyparsing==3.0.9 - pyperclip==1.8.2 - pyrootutils==1.0.4 - pyrsistent==0.19.3 - pytest==7.3.1 - python-dateutil==2.8.2 - python-dotenv==0.21.1 - pytorch-lightning==1.7.3 - pytz==2023.3 - pyyaml==6.0 - pyzmq==25.1.0 - rdkit-pypi==2022.9.5 - requests==2.31.0 - requests-oauthlib==1.3.1 - rich==13.4.1 - rsa==4.9 - ruamel-yaml==0.17.32 - ruamel-yaml-clib==0.2.7 - scikit-learn==1.0.2 - scipy==1.7.3 - seaborn==0.12.2 - send2trash==1.8.2 - sh==1.14.3 - six==1.16.0 - sniffio==1.3.0 - snowballstemmer==2.2.0 - soupsieve==2.4.1 - sphinx==5.3.0 - sphinxcontrib-applehelp==1.0.2 - sphinxcontrib-devhelp==1.0.2 - sphinxcontrib-htmlhelp==2.0.0 - sphinxcontrib-jsmath==1.0.1 - sphinxcontrib-qthelp==1.0.3 - sphinxcontrib-serializinghtml==1.1.5 - sqlalchemy==2.0.15 - stevedore==3.5.2 - sympy==1.10.1 - tensorboard==2.11.2 - tensorboard-data-server==0.6.1 - tensorboard-plugin-wit==1.8.1 - terminado==0.17.1 - threadpoolctl==3.1.0 - tinycss2==1.2.1 - tomli==2.0.1 - torch==1.12.0 - torch-cluster==1.6.1 - torch-geometric==2.3.1 - torch-scatter==2.1.1 - torch-sparse==0.6.17 - torch-spline-conv==1.2.2 - torchdata==0.4.0 - torchmetrics==0.11.4 - torchtext==0.13.0 - tornado==6.2 - tqdm==4.65.0 - traitlets==5.9.0 - typed-ast==1.5.4 - typer==0.9.0 - typing-extensions==4.6.3 - urllib3==1.26.16 - urwid==2.1.2 - urwid-readline==0.13 - virtualenv==20.16.2 - wcwidth==0.2.6 - webencodings==0.5.1 - websocket-client==1.5.2 - werkzeug==2.2.3 - yarl==1.9.2 - zipp==3.15.0 ================================================ FILE: generate_dplm.py ================================================ import argparse import os from pprint import pprint import torch from byprot import utils from byprot.models.dplm.dplm import DiffusionProteinLanguageModel def format_check(args): seq_list = args.cond_seq cond_position = args.cond_position assert len(seq_list) == len( cond_position ), "The length of cond_seq and cond_position does not match." position_list = [] for pos in cond_position: pos = pos.split("-") assert ( len(pos) == 2 ), "The format of position is illegal, which is not correctly splited by '-'" start_pos, end_pos = int(pos[0]), int(pos[1]) assert ( end_pos >= start_pos ), "The end position is smaller than start position." position_list.append((start_pos, end_pos)) # check if position segment has overlap temp_position_list = [pos for tup in position_list for pos in tup] for i in range(1, len(temp_position_list) - 2, 2): assert ( temp_position_list[i + 1] > temp_position_list[i] ), "The position segment has overlap, which is not supported" # check if the length of each position segment and seq segment matches for i, (start_pos, end_pos) in enumerate(position_list): assert len(seq_list[i]) == ( end_pos - start_pos + 1 ), "The length of each position segment and seq segment does not match." return seq_list, position_list def initialize_generation( num_seqs, length, tokenizer, device, cond_seq=None, args=None ): seq = [""] * length if cond_seq is not None: # Inpainting generation, conditioned on some sequence segments seq_segment_list, position_list = format_check(args) for i, (start_pos, end_pos) in enumerate(position_list): seq[start_pos : end_pos + 1] = [ char for char in seq_segment_list[i] ] seq = ["".join(seq)] init_seq = seq * num_seqs batch = tokenizer.batch_encode_plus( init_seq, add_special_tokens=True, padding="longest", return_tensors="pt", ) batch = { "input_ids": batch["input_ids"], "input_mask": batch["attention_mask"].bool(), } # if cond_seq is None: # batch['input_ids'], _ = _full_mask(batch['input_ids'].clone(), collater.alphabet) batch = utils.recursive_to(batch, device) pprint(batch) return batch["input_ids"] def generate(args): model = DiffusionProteinLanguageModel.from_pretrained( args.model_name ) tokenizer = model.tokenizer model = model.eval() model = model.cuda() device = next(model.parameters()).device for seq_len in args.seq_lens: max_iter = args.max_iter input_tokens = initialize_generation( args.num_seqs, seq_len, tokenizer, device ) partial_mask = input_tokens.ne(model.mask_id) with torch.cuda.amp.autocast(): outputs = model.generate( input_tokens=input_tokens, tokenizer=tokenizer, max_iter=max_iter, sampling_strategy=args.sampling_strategy, partial_masks=partial_mask, ) output_tokens = outputs print("final:") output_results = [ "".join(seq.split(" ")) for seq in tokenizer.batch_decode( output_tokens, skip_special_tokens=True ) ] pprint(output_results) os.makedirs(args.saveto, exist_ok=True) saveto_name = os.path.join( args.saveto, f"iter_{max_iter}_L_{seq_len}.fasta" ) fp_save = open(saveto_name, "w") for idx, seq in enumerate(output_results): fp_save.write(f">SEQUENCE_{idx}_L={seq_len}\n") fp_save.write(f"{seq}\n") fp_save.close() def main(): parser = argparse.ArgumentParser() parser.add_argument("--seed", type=int, default=42) parser.add_argument( "--model_name", type=str, default="airkingbd/dplm_150m" ) parser.add_argument("--num_seqs", type=int, default=40) parser.add_argument("--seq_lens", nargs="*", type=int) parser.add_argument("--saveto", type=str, default="gen.fasta") parser.add_argument("--temperature", type=float, default=1.0) parser.add_argument( "--sampling_strategy", type=str, default="gumbel_argmax" ) parser.add_argument("--max_iter", type=int, default=500) # inpainting # Note: the format of --cond_position and --cond_seq should split by ',' # the number and the length of segments should match. # Like this: # --cond_position 1-4 8-10 (position starts from 0) # --cond_seq ALVE EME parser.add_argument("--cond_position", nargs="*", type=str) parser.add_argument("--cond_seq", nargs="*", type=str) args = parser.parse_args() generate(args) if __name__ == "__main__": main() ================================================ FILE: generate_dplm2.py ================================================ import argparse import os import torch import tree from Bio import SeqIO from peft.peft_model import PeftModel from tqdm import tqdm from byprot.models.dplm2 import DPLM2Bit from byprot.models.dplm2 import ( MultimodalDiffusionProteinLanguageModel as DPLM2, ) def initialize_conditional_generation( fasta_path, tokenizer, device, args, model=None ): input_data_aatype = [] input_data_struct_tokens = [] input_data_name = [] for record in SeqIO.parse(fasta_path, "fasta"): input_data_name.append(record.name) if args.task == "folding": aatype = str(record.seq) aatype = tokenizer.aa_cls_token + aatype + tokenizer.aa_eos_token struct_tokens = tokenizer.struct_mask_token * len(record.seq) struct_tokens = ( tokenizer.struct_cls_token + struct_tokens + tokenizer.struct_eos_token ) elif args.task == "inverse_folding": aatype = tokenizer.aa_mask_token * len(record.seq.split(",")) aatype = tokenizer.aa_cls_token + aatype + tokenizer.aa_eos_token struct_tokens = "".join(str(record.seq).split(",")) struct_tokens = ( tokenizer.struct_cls_token + struct_tokens + tokenizer.struct_eos_token ) else: raise NotImplementedError input_data_aatype.append(aatype) input_data_struct_tokens.append(struct_tokens) # sorted by length len_input = [len(seq) for seq in input_data_aatype] sorted_batch = sorted( zip( len_input, input_data_aatype, input_data_struct_tokens, input_data_name, ) ) _, aa, struct, name = zip(*sorted_batch) input_data_aatype = list(aa) input_data_struct_tokens = list(struct) input_data_name = list(name) def build_batch(input_data_aatype, input_data_struct_tokens): batch_struct = tokenizer.batch_encode_plus( input_data_struct_tokens, add_special_tokens=False, padding="longest", return_tensors="pt", ) batch_aa = tokenizer.batch_encode_plus( input_data_aatype, add_special_tokens=False, padding="longest", return_tensors="pt", ) input_tokens = torch.concat( [batch_struct["input_ids"], batch_aa["input_ids"]], dim=1 ) input_tokens = input_tokens.to(device) aa_type = 1 struct_type = 0 non_special = model.get_non_special_symbol_mask(input_tokens) type_ids = model.get_modality_type(input_tokens) # folding if args.task == "folding": # mask struct token input_tokens.masked_fill_( (type_ids == struct_type) & non_special, tokenizer._token_to_id[tokenizer.struct_mask_token], ) mask_type = aa_type # inverse folding elif args.task == "inverse_folding": # mask aa token input_tokens.masked_fill_( (type_ids == aa_type) & non_special, tokenizer._token_to_id[tokenizer.aa_mask_token], ) mask_type = struct_type # construct batch batch = {} batch["input_tokens"] = input_tokens batch["partial_mask"] = type_ids == mask_type return batch batches = [] input_data_name_list = [] # split batch according to args.batch_size if args.batch_size > 0: num = len(input_data_aatype) start = 0 end = start + args.batch_size while end < num + args.batch_size: input_data_aa_batch = input_data_aatype[start:end] input_data_struct_batch = input_data_struct_tokens[start:end] new_batch = build_batch( input_data_aa_batch, input_data_struct_batch ) batches.append(new_batch) input_data_name_list.append(input_data_name[start:end]) start += args.batch_size end += args.batch_size else: batches = [build_batch(input_data_aatype, input_data_struct_tokens)] input_data_name_list = [input_data_name] return batches, input_data_name_list def initialize_generation( task, num_seqs, length, tokenizer, device, batch_size=50 ): def create_init_seq(length): if task == "sequence_generation": seq = tokenizer.aa_mask_token * length seq = tokenizer.aa_cls_token + seq + tokenizer.aa_eos_token elif task in ["co_generation", "backbone_generation"]: seq_struct = tokenizer.all_tokens[50] * length seq_aa = "A" * length seq_struct = ( tokenizer.struct_cls_token + seq_struct + tokenizer.struct_eos_token ) seq_aa = tokenizer.aa_cls_token + seq_aa + tokenizer.aa_eos_token seq = (seq_struct, seq_aa) else: raise NotImplementedError return seq init_struct_list = [] init_aa_list = [] for _ in range(num_seqs): seq = create_init_seq(length) if type(seq) == tuple: seq_struct, seq_aa = seq seq = seq_struct + seq_aa init_struct_list.append(seq_struct) init_aa_list.append(seq_aa) input_tokens_batch = [] start = 0 end = start + batch_size while end < num_seqs + batch_size: input_data_struct_tokens = init_struct_list[start:end] input_data_aatype = init_aa_list[start:end] batch_struct = tokenizer.batch_encode_plus( input_data_struct_tokens, add_special_tokens=False, padding="longest", return_tensors="pt", ) batch_aatype = tokenizer.batch_encode_plus( input_data_aatype, add_special_tokens=False, padding="longest", return_tensors="pt", ) input_tokens = torch.concat( [batch_struct["input_ids"], batch_aatype["input_ids"]], dim=1 ) input_tokens = input_tokens.to(device) input_tokens_batch.append(input_tokens) start += batch_size end += batch_size return input_tokens_batch def unconditional_generate(args): if args.bit_model: model = DPLM2Bit.from_pretrained(args.model_name) else: model = DPLM2.from_pretrained(args.model_name) tokenizer = model.tokenizer model = model.eval() model = model.cuda() device = next(model.parameters()).device if issubclass(type(model.net), PeftModel): model.net = model.net.merge_and_unload() for seq_len in args.seq_lens: max_iter = args.max_iter input_tokens_batch = initialize_generation( task=args.task, num_seqs=args.num_seqs, length=seq_len, tokenizer=tokenizer, device=device, batch_size=args.batch_size, ) with torch.cuda.amp.autocast(dtype=torch.bfloat16): all_outputs = {} for input_tokens in input_tokens_batch: _struct_tokens, _aatype_tokens = input_tokens.chunk(2, dim=1) if args.task == "backbone_generation": input_tokens = _struct_tokens if args.task == "sequence_generation": input_tokens = _aatype_tokens outputs = model.generate( input_tokens=input_tokens, max_iter=max_iter, temperature=args.temperature, unmasking_strategy=args.unmasking_strategy, sampling_strategy=args.sampling_strategy, ) if args.task == "backbone_generation": outputs["output_tokens"] = torch.cat( [outputs["output_tokens"], _aatype_tokens], dim=1 ) for k, v in outputs.items(): if k in all_outputs: all_outputs[k] = torch.concat( [all_outputs[k], v], dim=0 ) else: all_outputs[k] = v print("final:") if args.task == "backbone_generation": print( [ ",".join(seq.split(" ")) for seq in tokenizer.batch_decode( all_outputs["output_tokens"], skip_special_tokens=False ) ] ) elif args.task == "sequence_generation": print( [ "".join(seq.split(" ")) for seq in tokenizer.batch_decode( all_outputs["output_tokens"], skip_special_tokens=False ) ] ) elif args.task == "co_generation": print( [ ",".join(seq.split(" ")) for seq in tokenizer.batch_decode( all_outputs["output_tokens"], skip_special_tokens=False ) ] ) else: raise NotImplementedError # save save_results( outputs=all_outputs, task=args.task, save_dir=os.path.join(args.saveto, args.task, f"length_{seq_len}"), tokenizer=tokenizer, struct_tokenizer=model.struct_tokenizer, save_pdb=args.save_pdb, ) def conditional_generate_from_fasta(args): if args.bit_model: model = DPLM2Bit.from_pretrained(args.model_name) else: model = DPLM2.from_pretrained(args.model_name) tokenizer = model.tokenizer model = model.eval() model = model.cuda() device = next(model.parameters()).device if issubclass(type(model.net), PeftModel): model.net = model.net.merge_and_unload() batches, name_lists = initialize_conditional_generation( args.input_fasta_path, tokenizer, device, args=args, model=model ) for i, batch in enumerate(tqdm(batches, desc=f"{args.task}")): with torch.cuda.amp.autocast(dtype=torch.bfloat16): outputs = model.generate( input_tokens=batch["input_tokens"], max_iter=args.max_iter, temperature=args.temperature, unmasking_strategy=args.unmasking_strategy, sampling_strategy=args.sampling_strategy, partial_masks=batch["partial_mask"], ) save_results( outputs=outputs, task=args.task, save_dir=os.path.join(args.saveto, args.task), headers=name_lists[i], tokenizer=tokenizer, struct_tokenizer=model.struct_tokenizer, save_pdb=args.save_pdb, continue_write=True, ) def save_fasta( save_name, output_results, struct_tokens=False, headers=None, continue_write=False, ): fp_save = ( open(save_name, "w") if not continue_write else open(save_name, "a") ) for idx, seq in enumerate(output_results): if headers is not None: fp_save.write(f">{headers[idx]}\n") else: fp_save.write(f">SEQUENCE_{idx}\n") seq = seq.split(" ") if struct_tokens: fp_save.write(f"{','.join(seq)}\n") else: fp_save.write(f"{''.join(seq)}\n") fp_save.close() def save_results( tokenizer, struct_tokenizer, save_dir, task, outputs, headers=None, save_pdb=True, continue_write=False, ): # save to fasta os.makedirs(save_dir, exist_ok=True) print(f"Saving results to {save_dir}...") if headers is None: headers = [f"sample_{i}" for i in range(len(outputs["output_tokens"]))] if task in ["sequence_generation"]: aatype_tokens = outputs["output_tokens"] aatype_fasta_path = os.path.join(save_dir, "aatype.fasta") aatype_strings = list( map( lambda s: "".join(s.split()), tokenizer.batch_decode( aatype_tokens, skip_special_tokens=True ), ) ) save_fasta( save_name=aatype_fasta_path, output_results=aatype_strings, headers=headers, continue_write=continue_write, ) elif task in [ "backbone_generation", "co_generation", "folding", "inverse_folding", ]: output_tokens = outputs["output_tokens"] struct_tokens, aatype_tokens = output_tokens.chunk(2, dim=-1) struct_token_fasta_path = os.path.join(save_dir, "struct_token.fasta") aatype_fasta_path = os.path.join(save_dir, "aatype.fasta") struct_tokens_strings = list( map( lambda s: ",".join(s.split()), tokenizer.batch_decode( struct_tokens, skip_special_tokens=True ), ) ) aatype_strings = list( map( lambda s: "".join(s.split()), tokenizer.batch_decode( aatype_tokens, skip_special_tokens=True ), ) ) save_fasta( save_name=struct_token_fasta_path, output_results=struct_tokens_strings, headers=headers, continue_write=continue_write, ) save_fasta( save_name=aatype_fasta_path, output_results=aatype_strings, headers=headers, continue_write=continue_write, ) if save_pdb: pdb_save_dir = os.path.join(save_dir, "pdb") os.makedirs(pdb_save_dir, exist_ok=True) for idx, (header, aatype_str, struct_tokens_str) in enumerate( zip(headers, aatype_strings, struct_tokens_strings) ): ( aatype_tensor, struct_tokens_tensor, ) = struct_tokenizer.string_to_tensor( aatype_str, struct_tokens_str ) if "final_struct_feature" in outputs: decoder_out = struct_tokenizer.detokenize( struct_tokens=outputs["final_struct_feature"][idx][ None ], res_mask=outputs["res_mask"][idx][None], ) else: decoder_out = struct_tokenizer.detokenize( struct_tokens_tensor ) decoder_out["aatype"] = aatype_tensor decoder_out["header"] = [header] struct_tokenizer.output_to_pdb( decoder_out, output_dir=pdb_save_dir ) else: raise NotImplementedError return def main(): parser = argparse.ArgumentParser() parser.add_argument("--seed", type=int, default=42) parser.add_argument( "--model_name", type=str, default="airkingbd/dplm_150m" ) parser.add_argument("--num_seqs", type=int, default=40) parser.add_argument("--seq_lens", nargs="*", type=int) parser.add_argument("--saveto", type=str, default="gen.fasta") parser.add_argument("--temperature", type=float, default=1.0) parser.add_argument( "--sampling_strategy", type=str, default="annealing@2.0:0.1" ) parser.add_argument( "--unmasking_strategy", type=str, default="stochastic1.0" ) parser.add_argument("--max_iter", type=int, default=500) parser.add_argument("--batch_size", type=int, default=50) parser.add_argument("--save_pdb", type=bool, default=True) parser.add_argument("--bit_model", action="store_true") # generation options ## task option parser.add_argument( "--task", type=str, choices=[ "backbone_generation", "sequence_generation", "co_generation", "folding", "inverse_folding", ], default="co_generation", ) ## conditional testset parser.add_argument("--input_fasta_path", type=str, default="") args = parser.parse_args() if args.task in [ "backbone_generation", "sequence_generation", "co_generation", ]: unconditional_generate(args) elif args.task in ["folding", "inverse_folding"]: conditional_generate_from_fasta(args) else: raise NotImplementedError if __name__ == "__main__": main() ================================================ FILE: requirements.txt ================================================ # --------- pytorch --------- # pytorch_lightning==2.2.0 lightning==2.2.0 torchmetrics torch_geometric # torch_scatter torchtext==0.17.0 # --------- hydra --------- # hydra-core==1.2.0 hydra-colorlog==1.2.0 hydra-optuna-sweeper==1.2.0 # --------- loggers --------- # # wandb tensorboard # --------- linters --------- # pyrootutils # standardizing the project root setup pre-commit # hooks for applying linters on commit black # code formatting isort # import sorting flake8 # code analysis nbstripout # remove output from jupyter notebooks # --------- others --------- # python-dotenv # loading env variables from .env file rich # beautiful text formatting in terminal pytest # tests sh # for running bash commands in some tests pudb # debugger # --------- project related --------- # biopython==1.79 biotite datasets==2.20.0 deepspeed==0.14.4 dm-tree e3nn einops debugpy fair-esm lmdb matplotlib mdtraj ml-collections modelcif opt_einsum pandas peft==0.11.1 scikit-learn seaborn sympy tmtools transformers==4.39.2 MDAnalysis ================================================ FILE: run/scaffold_generate_dplm.py ================================================ # The get_motif function of this code is highly motivated by EvoDiff: # https://github.com/microsoft/evodiff import argparse import os import random from pathlib import Path from pprint import pprint import numpy as np import pandas as pd import torch from byprot import utils from byprot.models.dplm.dplm import DiffusionProteinLanguageModel from byprot.utils.scaffold_utils import * def generate(args, saveto): model = DiffusionProteinLanguageModel.from_pretrained(args.model_name) tokenizer = model.tokenizer model = model.eval() model = model.cuda() device = next(model.parameters()).device # Generate for ori_pdb, pdb in motif_name_mapping.items(): max_iter = args.max_iter ( batch, start_idxs_list, end_idxs_list, scaffold_lengths_list, ) = get_initial_dplm(args, tokenizer, pdb, ori_pdb, device) partial_mask = ( batch["input_ids"].ne(tokenizer.mask_token_id) & batch["input_ids"].ne(tokenizer.pad_token_id) ).type_as(batch["input_mask"]) with torch.cuda.amp.autocast(): outputs = model.generate( input_tokens=batch["input_ids"], temperature=args.temperature, max_iter=max_iter, sampling_strategy=args.sampling_strategy, partial_masks=partial_mask, ) output_tokens = outputs print("final:") output_results = [ "".join(seq.split(" ")) for seq in tokenizer.batch_decode( output_tokens, skip_special_tokens=True ) ] pprint(output_results) # save output scaffold_fasta_path = os.path.join(saveto, "scaffold_fasta") os.makedirs(scaffold_fasta_path, exist_ok=True) saveto_name = os.path.join(scaffold_fasta_path, f"{ori_pdb}.fasta") fp_save = open(saveto_name, "w") for idx, seq in enumerate(output_results): fp_save.write(f">SEQUENCE_{idx}_PDB_{ori_pdb}\n") fp_save.write(f"{seq}\n") fp_save.close() scaffold_info_path = os.path.join(saveto, "scaffold_info") os.makedirs(scaffold_info_path, exist_ok=True) strings = output_results save_df = pd.DataFrame( list( zip( strings, start_idxs_list, end_idxs_list, scaffold_lengths_list, ) ), columns=["seqs", "start_idxs", "end_idxs", "scaffold_lengths"], ) save_df.to_csv( os.path.join(scaffold_info_path, f"{ori_pdb}.csv"), index=True ) def main(): parser = argparse.ArgumentParser() parser.add_argument("--seed", type=int, default=42) parser.add_argument( "--model_name", type=str, default="airkingbd/dplm_150m" ) parser.add_argument("--num_seqs", type=int, default=40) parser.add_argument("--saveto", type=str, default="gen.fasta") parser.add_argument("--temperature", type=float, default=1.0) parser.add_argument( "--sampling_strategy", type=str, default="gumbel_argmax" ) parser.add_argument("--max_iter", type=int, default=500) parser.add_argument( "--start-idxs", type=int, action="append", help="If using cond-task=scaffold, provide start and end indexes for motif being scaffolded\ If defining multiple motifs, supply the start and end -idx motif as a new argument\ ex: --start-idx 3 --end-idx 10 --start-idx 20 --end-idx 25\ indexes are inclusive of both start and end values.\ WARNING: PDBs are OFTEN indexed at a number that is not 0. If your PDB file begins at 4\ and the motif you want to query is residues 5 to 10, as defined by the PDB, your inputs to\ this code should be --start-idx 1 and --end-idx 6", ) parser.add_argument("--end-idxs", type=int, action="append") parser.add_argument( "--scaffold-min", type=int, default=50, help="Min scaffold len " ) parser.add_argument( "--scaffold-max", type=int, default=100, help="Max scaffold len, will randomly choose a value between min/max", ) parser.add_argument("--structure-enc", type=bool, default=False) args = parser.parse_args() pprint(args) generate(args, args.saveto) if __name__ == "__main__": main() ================================================ FILE: run/scaffold_generate_dplm2.py ================================================ import argparse import os from pprint import pprint import biotite.sequence.io.fasta as fasta import numpy as np import pandas as pd import torch from peft.peft_model import PeftModel from byprot.models.dplm2.dplm2 import MultimodalDiffusionProteinLanguageModel from byprot.utils.scaffold_utils import * from generate_dplm2 import save_fasta @torch.no_grad() def generate(args, saveto): model = MultimodalDiffusionProteinLanguageModel.from_pretrained( args.model_name ) tokenizer = model.tokenizer model = model.eval() model = model.cuda() device = next(model.parameters()).device if issubclass(type(model.net), PeftModel): model.net = model.net.merge_and_unload() # Read motif fasta file with open(args.motif_aa, "r") as f: fasta_file = fasta.FastaFile.read(f) motif_aa_seq = dict(fasta_file.items()) with open(args.motif_struct, "r") as f: fasta_file = fasta.FastaFile.read(f) motif_struct_seq = dict(fasta_file.items()) for ori_pdb_name, pdb_name in motif_name_mapping.items(): struct_seq = motif_struct_seq[pdb_name] aa_seq = motif_aa_seq[pdb_name] max_iter = args.max_iter ( batches, start_idxs_list, end_idxs_list, scaffold_lengths_list, ) = get_initial_dplm2( args, list(aa_seq), struct_seq.split(","), tokenizer, pdb_name, ori_pdb_name, device, ) output_tokens = torch.tensor([], device=device) for batch in batches: with torch.cuda.amp.autocast(): outputs = model.generate( input_tokens=batch["input_ids"], max_iter=max_iter, sampling_strategy=args.sampling_strategy, partial_masks=batch["partial_mask"], )["output_tokens"] output_tokens = torch.concat([output_tokens, outputs]) assert output_tokens.shape[0] == len(start_idxs_list) print("final:") pprint( [ ",".join(seq.split(" ")) for seq in tokenizer.batch_decode( output_tokens, skip_special_tokens=False ) ] ) # save output scaffold_fasta_path = os.path.join(saveto, "scaffold_fasta") os.makedirs(scaffold_fasta_path, exist_ok=True) scaffold_info_path = os.path.join(saveto, "scaffold_info") os.makedirs(scaffold_info_path, exist_ok=True) # save scaffold fasta save_results( output_tokens=output_tokens, save_dir=os.path.join(scaffold_fasta_path, ori_pdb_name), tokenizer=tokenizer, struct_tokenizer=model.struct_tokenizer, save_pdb=True, continue_write=True, ) # save scaffold info struct_tokens, aa_tokens = output_tokens.chunk(2, dim=-1) aa_strings = [ "".join(seq.split(" ")) for seq in tokenizer.batch_decode( aa_tokens, skip_special_tokens=True ) ] struct_strings = [ ",".join(seq.split(" ")) for seq in tokenizer.batch_decode( struct_tokens, skip_special_tokens=True ) ] save_df = pd.DataFrame( list( zip( aa_strings, struct_strings, start_idxs_list, end_idxs_list, scaffold_lengths_list, ) ), columns=[ "aa_seqs", "struct_seqs", "start_idxs", "end_idxs", "scaffold_lengths", ], ) save_df.to_csv( os.path.join(scaffold_info_path, f"{ori_pdb_name}.csv"), index=False, ) def save_results( tokenizer, struct_tokenizer, save_dir, output_tokens, headers=None, save_pdb=False, continue_write=False, ): # save to fasta os.makedirs(save_dir, exist_ok=True) print(f"Saving results to {save_dir}...") if headers is None: headers = [f"sample_{i}" for i in range(len(output_tokens))] struct_tokens, aatype_tokens = output_tokens.chunk(2, dim=-1) aatype_fasta_path = os.path.join(save_dir, "aatype.fasta") struct_tokens_strings = list( map( lambda s: ",".join(s.split()), tokenizer.batch_decode(struct_tokens, skip_special_tokens=True), ) ) aatype_strings = list( map( lambda s: "".join(s.split()), tokenizer.batch_decode(aatype_tokens, skip_special_tokens=True), ) ) save_fasta( save_name=aatype_fasta_path, output_results=aatype_strings, headers=headers, continue_write=continue_write, ) if save_pdb: pdb_save_dir = os.path.join(save_dir, "pdb") os.makedirs(pdb_save_dir, exist_ok=True) for header, aatype_str, struct_tokens_str in zip( headers, aatype_strings, struct_tokens_strings ): ( aatype_tensor, struct_tokens_tensor, ) = struct_tokenizer.string_to_tensor( aatype_str, struct_tokens_str ) decoder_out = struct_tokenizer.detokenize(struct_tokens_tensor) decoder_out["aatype"] = aatype_tensor decoder_out["header"] = [header] struct_tokenizer.output_to_pdb( decoder_out, output_dir=pdb_save_dir ) return def main(): parser = argparse.ArgumentParser() parser.add_argument("--seed", type=int, default=42) parser.add_argument("--num_seqs", type=int, default=20) parser.add_argument("--experiment_path", type=str) parser.add_argument("--saveto", type=str, default="gen.fasta") parser.add_argument("--temperature", type=float, default=1.0) parser.add_argument( "--sampling_strategy", type=str, default="annealing@2.0:1.0" ) parser.add_argument("--max_iter", type=int, default=500) parser.add_argument("--batch_size", type=int, default=100) parser.add_argument( "--model_name", type=str, default="airkingbd/dplm2_650m" ) parser.add_argument( "--motif_aa", type=str, default="./data-bin/scaffolding-pdbs/aa_seq.fasta", ) parser.add_argument( "--motif_struct", type=str, default="./data-bin/scaffolding-pdbs/struct_seq.fasta", ) args = parser.parse_args() pprint(args) generate(args, args.saveto) if __name__ == "__main__": main() ================================================ FILE: scripts/download_cath.sh ================================================ mkdir -p data-bin wget -r -nd -np http://people.csail.mit.edu/ingraham/graph-protein-design/data/cath/ -P data-bin/cath_4.2 mkdir -p data-bin/cath_4.3 wget -r -nd -np https://dl.fbaipublicfiles.com/fair-esm/data/cath4.3_topologysplit_202206/chain_set.jsonl -P data-bin/cath_4.3 wget -r -nd -np https://dl.fbaipublicfiles.com/fair-esm/data/cath4.3_topologysplit_202206/split.jsonl -P data-bin/cath_4.3 ================================================ FILE: scripts/download_metadata.sh ================================================ wget -O dplm2_metadata.tar.gz https://zenodo.org/records/15424801/files/dplm2_metadata.tar.gz?download=1 mkdir -p data-bin tar -xzvf dplm2_metadata.tar.gz -C ./data-bin/ ================================================ FILE: scripts/download_motif_scaffolds.sh ================================================ wget -O motif_scaffolding_pdbs.tar.gz https://zenodo.org/records/15424801/files/motif_scaffolding_pdbs.tar.gz?download=1 mkdir -p data-bin tar -xzvf motif_scaffolding_pdbs.tar.gz -C ./data-bin/ ================================================ FILE: scripts/download_pdb_swissprot_hf.sh ================================================ pip install huggingface_hub mkdir -p data-bin # download DPLM-2 training set (PDB and SwissProt) from huggingface hub huggingface-cli download airkingbd/pdb_swissprot --repo-type dataset --local-dir ./data-bin/pdb_swissprot ================================================ FILE: scripts/download_uniref50_hf.sh ================================================ pip install huggingface_hub mkdir -p data-bin # download uniref50 dataset from huggingface hub huggingface-cli download airkingbd/uniref50 --repo-type dataset --local-dir ./data-bin/uniref50_hf ================================================ FILE: scripts/install.sh ================================================ pip install torch==2.2.0 torchvision==0.17.0 torchaudio==2.2.0 --index-url https://download.pytorch.org/whl/cu121 pip install -e . pip install -e vendor/openfold ================================================ FILE: setup.cfg ================================================ [isort] line_length = 99 profile = black filter_files = True [flake8] max_line_length = 99 show_source = True format = pylint ignore = F401 # Module imported but unused W504 # Line break occurred after a binary operator F841 # Local variable name is assigned to but never used E501 # Line too long exclude = .git __pycache__ data/* tests/* notebooks/* logs/* [tool:pytest] testpaths = tests/ log_cli = True markers = slow addopts = --durations=0 --strict-markers --doctest-modules filterwarnings = ignore::DeprecationWarning ignore::UserWarning ================================================ FILE: setup.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from setuptools import find_packages, setup setup( name="ByProt", version="1.0.0", description="A pytorch library for swift protein design research and developing.", author="ByteDance Research", author_email="zhengzaixiang@bytedance.com", # url="https://github.com/bytedance/ByProt", install_requires=open("requirements.txt").readlines(), package_dir={"": "src"}, packages=find_packages("src"), ) ================================================ FILE: src/byprot/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import byprot.datamodules import byprot.models import byprot.tasks import byprot.utils ================================================ FILE: src/byprot/datamodules/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import glob import importlib import os from omegaconf import DictConfig from byprot.utils import import_modules DATAMODULE_REGISTRY = {} def register_datamodule(name): def decorator(cls): DATAMODULE_REGISTRY[name] = cls return cls return decorator import_modules(os.path.dirname(__file__), "byprot.datamodules") ================================================ FILE: src/byprot/datamodules/cath_datamodule.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from functools import partial from typing import Any, Callable, Dict, List, Optional, Sequence, Tuple import numpy as np import torch from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, Dataset from byprot import utils from byprot.datamodules import register_datamodule from byprot.datamodules.dataset.cath import CATH from byprot.datamodules.dataset.data_utils import ( Alphabet, MaxTokensBatchSampler, ) log = utils.get_logger(__name__) @register_datamodule("cath") class CATHDataModule(LightningDataModule): def __init__( self, data_dir: str = "data/", chain_set_jsonl: str = "chain_set.jsonl", chain_set_splits_json: str = "chain_set_splits.json", max_length: int = 500, atoms: List[str] = ("N", "CA", "C", "O"), alphabet=None, batch_size: int = 64, max_tokens: int = 6000, sort: bool = False, num_workers: int = 0, pin_memory: bool = False, train_split: str = "train", valid_split: str = "valid", test_split: str = "test", filter_nan: bool = False, ): super().__init__() # this line allows to access init params with 'self.hparams' attribute self.save_hyperparameters(logger=False) self.alphabet = None self.train_data: Optional[Dataset] = None self.valid_data: Optional[Dataset] = None self.test_data: Optional[Dataset] = None def setup(self, stage: Optional[str] = None): """Load data. Set variables: `self.data_train`, `self.data_val`, `self.data_test`. This method is called by lightning when doing `trainer.fit()` and `trainer.test()`, so be careful not to execute the random split twice! The `stage` can be used to differentiate whether it's called before trainer.fit()` or `trainer.test()`. """ # load datasets only if they're not loaded already if stage == "fit": (train, valid), alphabet = CATH( self.hparams.data_dir, chain_set_jsonl=self.hparams.chain_set_jsonl, chain_set_splits_json=self.hparams.chain_set_splits_json, max_length=self.hparams.max_length, split=(self.hparams.train_split, self.hparams.valid_split), ) self.train_dataset = train self.valid_dataset = valid elif stage == "test" or stage == "predict": test, alphabet = CATH( self.hparams.data_dir, chain_set_jsonl=self.hparams.chain_set_jsonl, chain_set_splits_json=self.hparams.chain_set_splits_json, split=(self.hparams.test_split,), filter_nan=self.hparams.filter_nan, ) self.test_dataset = test else: raise ValueError(f"Invalid stage: {stage}.") self.alphabet = Alphabet(**self.hparams.alphabet) self.collate_batch = self.alphabet.featurizer def _build_batch_sampler( self, dataset, max_tokens, shuffle=False, distributed=True ): is_distributed = distributed and torch.distributed.is_initialized() batch_sampler = MaxTokensBatchSampler( dataset=dataset, shuffle=shuffle, distributed=is_distributed, batch_size=self.hparams.batch_size, max_tokens=max_tokens, sort=self.hparams.sort, drop_last=False, sort_key=lambda i: len(dataset[i]["seq"]), ) return batch_sampler def train_dataloader(self): if not hasattr(self, "train_batch_sampler"): self.train_batch_sampler = self._build_batch_sampler( self.train_dataset, max_tokens=self.hparams.max_tokens, shuffle=True, ) return DataLoader( dataset=self.train_dataset, batch_sampler=self.train_batch_sampler, num_workers=self.hparams.num_workers, pin_memory=self.hparams.pin_memory, collate_fn=self.collate_batch, ) def val_dataloader(self): return DataLoader( dataset=self.valid_dataset, batch_sampler=self._build_batch_sampler( self.valid_dataset, max_tokens=self.hparams.max_tokens, distributed=False, ), num_workers=self.hparams.num_workers, pin_memory=self.hparams.pin_memory, collate_fn=self.collate_batch, ) def test_dataloader(self): return DataLoader( dataset=self.test_dataset, batch_sampler=self._build_batch_sampler( self.test_dataset, max_tokens=self.hparams.max_tokens, distributed=False, ), num_workers=self.hparams.num_workers, pin_memory=self.hparams.pin_memory, collate_fn=self.collate_batch, ) ================================================ FILE: src/byprot/datamodules/dataset/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # from .datapipe import * # from .data_utils import Alphabet, PDBDataProcessor ================================================ FILE: src/byprot/datamodules/dataset/cath.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import json import os from functools import partial from typing import Any, Callable, Dict, List, Optional, Sequence, Tuple import esm import numpy as np import torch from torch.nn import functional as F from torch.utils.data.datapipes.map import SequenceWrapper from torch.utils.data.dataset import Subset from byprot import utils from .data_utils import Alphabet log = utils.get_logger(__name__) def CATH( root=".data", chain_set_jsonl="chain_set.jsonl", chain_set_splits_json="chain_set_splits.json", split=("train", "validation", "test"), truncate=None, max_length=500, alphabet="ACDEFGHIKLMNPQRSTVWY", transforms: Callable = (None, None), verbose=False, filter_nan=False, ): alphabet_set = set([a for a in alphabet]) split_paths = dict( train=os.path.join(root, "train.json"), valididation=os.path.join(root, "validation.json"), test=os.path.join(root, "test.json"), ) # if os.path.exists(split_paths['train']): src_transform, tgt_transform = transforms discard_count = {"bad_chars": 0, "too_long": 0, "nan_coords": 0} chain_set_jsonl_fullpath = os.path.join(root, chain_set_jsonl) chain_set_splits_json_fullpath = os.path.join(root, chain_set_splits_json) # 1) load the dataset with open(chain_set_jsonl_fullpath) as f: # NOTE: dataset is a list of mapping # each mapping has columns: # name: str # seq: str. sequence of amino acids # coords: Dict[str, List[1d-array]]). e.g., {"N": [[0, 0, 0], [0.1, 0.1, 0.1], ..], "Ca": [...], ..} dataset: List[Dict] = [] lines = f.readlines() for i, line in enumerate(lines): # if i > 300: break entry = json.loads(line) seq = entry["seq"] name = entry["name"] nan_detect = False # Convert raw coords to np arrays for key, val in entry["coords"].items(): entry["coords"][key] = np.asarray(val, dtype=np.float32) if np.isnan(entry["coords"][key]).any(): nan_detect = True if filter_nan: if nan_detect: discard_count["nan_coords"] += 1 else: continue # Check if in alphabet bad_chars = set([s for s in seq]).difference(alphabet_set) if len(bad_chars) == 0: if len(entry["seq"]) <= max_length: dataset.append(entry) else: discard_count["too_long"] += 1 else: # print(name, bad_chars, entry['seq']) discard_count["bad_chars"] += 1 if verbose and (i + 1) % 100000 == 0: print("{} entries ({} loaded)".format(len(dataset), i + 1)) # Truncate early if truncate is not None and len(dataset) == truncate: break total_size = i dataset = SequenceWrapper(dataset) log.info( f"Loaded data size: {len(dataset)}/{total_size}. Discarded: {discard_count}." ) # print(f'Loaded data size: {len(dataset)}/{total_size}. Discarded: {discard_count}.') # 2) split the dataset dataset_indices = {entry["name"]: i for i, entry in enumerate(dataset)} with open(chain_set_splits_json_fullpath) as f: dataset_splits = json.load(f) # compatible with cath data split = ["validation" if s == "valid" else s for s in split] dataset_splits = [ Subset( dataset, [ dataset_indices[chain_name] for chain_name in dataset_splits[key] if chain_name in dataset_indices ], ) for key in split ] sizes = [ f"{split[i]}: {len(dataset_splits[i])}" for i in range(len(split)) ] msg_sizes = ", ".join(sizes) log.info(f"Size. {msg_sizes}") if len(dataset_splits) == 1: dataset_splits = dataset_splits[0] # for split in dataset_splits: return dataset_splits, alphabet_set # NOTE: batch is a list mapping # each mapping has columns: # name: str # seq: str. sequence of amino acids # coords: Dict[str, List[1d-array]]). e.g., {"N": [[0, 0, 0], [0.1, 0.1, 0.1], ..], "Ca": [...], ..} def collate_batch( batch: List[Dict[str, Any]], batch_converter, transform=None, atoms=("N", "CA", "C", "O"), ): seqs, coords = [], [] names = [] for entry in batch: _seq, _coords = entry["seq"], entry["coords"] seqs.append(_seq) # [L, 3] x 4 -> [L, 4, 3] coords.append( # np.stack([_coords[c] for c in ['N', 'CA', 'C', 'O']], 1) np.stack([_coords[c] for c in atoms], 1) ) names.append(entry["name"]) ( coords, confidence, strs, tokens, lengths, coord_mask, ) = batch_converter.from_lists( coords_list=coords, confidence_list=None, seq_list=seqs ) # coords, tokens, coord_mask, lengths = featurize(batch, torch.device('cpu'), 0) # coord_mask = coord_mask > 0.5 batch_data = { "coords": coords, "tokens": tokens, "confidence": confidence, "coord_mask": coord_mask, "lengths": lengths, "seqs": seqs, "names": names, } if transform is not None: batch_data = transform(batch_data) return batch_data class CoordBatchConverter(esm.data.BatchConverter): def __init__( self, alphabet, coord_pad_inf=False, coord_nan_to_zero=True, to_pifold_format=False, ): super().__init__(alphabet) self.coord_pad_inf = coord_pad_inf self.to_pifold_format = to_pifold_format self.coord_nan_to_zero = coord_nan_to_zero def __call__(self, raw_batch: Sequence[Tuple[Sequence, str]], device=None): """ Args: raw_batch: List of tuples (coords, confidence, seq) In each tuple, coords: list of floats, shape L x n_atoms x 3 confidence: list of floats, shape L; or scalar float; or None seq: string of length L Returns: coords: Tensor of shape batch_size x L x n_atoms x 3 confidence: Tensor of shape batch_size x L strs: list of strings tokens: LongTensor of shape batch_size x L padding_mask: ByteTensor of shape batch_size x L """ # self.alphabet.cls_idx = self.alphabet.get_idx("") batch = [] for coords, confidence, seq in raw_batch: if confidence is None: confidence = 1.0 if isinstance(confidence, float) or isinstance(confidence, int): confidence = [float(confidence)] * len(coords) if seq is None: seq = "X" * len(coords) batch.append(((coords, confidence), seq)) coords_and_confidence, strs, tokens = super().__call__(batch) if self.coord_pad_inf: # pad beginning and end of each protein due to legacy reasons coords = [ F.pad(torch.tensor(cd), (0, 0, 0, 0, 1, 1), value=np.nan) for cd, _ in coords_and_confidence ] confidence = [ F.pad(torch.tensor(cf), (1, 1), value=-1.0) for _, cf in coords_and_confidence ] else: coords = [torch.tensor(cd) for cd, _ in coords_and_confidence] confidence = [torch.tensor(cf) for _, cf in coords_and_confidence] # coords = self.collate_dense_tensors(coords, pad_v=np.nan) coords = self.collate_dense_tensors(coords, pad_v=np.nan) confidence = self.collate_dense_tensors(confidence, pad_v=-1.0) if self.to_pifold_format: coords, tokens, confidence = ToPiFoldFormat( X=coords, S=tokens, cfd=confidence ) lengths = tokens.ne(self.alphabet.padding_idx).sum(1).long() if device is not None: coords = coords.to(device) confidence = confidence.to(device) tokens = tokens.to(device) lengths = lengths.to(device) coord_padding_mask = torch.isnan(coords[:, :, 0, 0]) coord_mask = torch.isfinite(coords.sum([-2, -1])) confidence = confidence * coord_mask + (-1.0) * coord_padding_mask if self.coord_nan_to_zero: coords[torch.isnan(coords)] = 0.0 return coords, confidence, strs, tokens, lengths, coord_mask def from_lists( self, coords_list, confidence_list=None, seq_list=None, device=None ): """ Args: coords_list: list of length batch_size, each item is a list of floats in shape L x 3 x 3 to describe a backbone confidence_list: one of - None, default to highest confidence - list of length batch_size, each item is a scalar - list of length batch_size, each item is a list of floats of length L to describe the confidence scores for the backbone with values between 0. and 1. seq_list: either None or a list of strings Returns: coords: Tensor of shape batch_size x L x 3 x 3 confidence: Tensor of shape batch_size x L strs: list of strings tokens: LongTensor of shape batch_size x L padding_mask: ByteTensor of shape batch_size x L """ batch_size = len(coords_list) if confidence_list is None: confidence_list = [None] * batch_size if seq_list is None: seq_list = [None] * batch_size raw_batch = zip(coords_list, confidence_list, seq_list) return self.__call__(raw_batch, device) @staticmethod def collate_dense_tensors(samples, pad_v): """Takes a list of tensors with the following dimensions: [(d_11, ..., d_1K), (d_21, ..., d_2K), ..., (d_N1, ..., d_NK)] and stack + pads them into a single tensor of: (N, max_i=1,N { d_i1 }, ..., max_i=1,N {diK}) """ if len(samples) == 0: return torch.Tensor() if len(set(x.dim() for x in samples)) != 1: raise RuntimeError( f"Samples has varying dimensions: {[x.dim() for x in samples]}" ) (device,) = tuple( set(x.device for x in samples) ) # assumes all on same device max_shape = [max(lst) for lst in zip(*[x.shape for x in samples])] result = torch.empty( len(samples), *max_shape, dtype=samples[0].dtype, device=device ) result.fill_(pad_v) for i in range(len(samples)): result_i = result[i] t = samples[i] result_i[tuple(slice(0, k) for k in t.shape)] = t return result def new_arange(x, *size): """Return a Tensor of `size` filled with a range function on the device of x. If size is empty, using the size of the variable x. """ if len(size) == 0: size = x.size() return torch.arange(size[-1], device=x.device).expand(*size).contiguous() class ToSabdabDataFormat(object): def __init__(self, alphabet) -> None: self.alphabet_ori = alphabet from byprot.utils.protein import constants UNK = constants.ressymb_to_resindex["X"] self.aa_map = {} for ind, tok in enumerate(alphabet.all_toks): if tok != "": self.aa_map[ind] = constants.ressymb_to_resindex.get(tok, UNK) else: self.aa_map[ind] = 21 def _map_aatypes(self, tokens): sizes = tokens.size() mapped_aa_flat = tokens.new_tensor( [self.aa_map[ind] for ind in tokens.flatten().tolist()] ) return mapped_aa_flat.reshape(*sizes) def __call__(self, batch_data) -> Any: """coords -> `pos_heavyatom` [B, num_res, num_atom, 3] tokens. -> `aa` [B, num_res] coord_mask -> `mask_heavyatom` [B, num_res, num_atom] all_zeros -> `mask` [B, num_res] all_zeros -> `chain_nb` [B, num_res] range -> `res_nb` [B, num_res] coord_mask -> `generate_flag` [B, num_res] all_ones -> `fragment_type` [B, num_res] coord_padding_mask: coord_padding_mask confidence: confidence, """ batch_data["pos_heavyatom"] = batch_data.pop("coords") batch_data["aa"] = self._map_aatypes(batch_data.pop("tokens")) batch_data["mask"] = batch_data.pop("coord_mask").bool() batch_data["mask_heavyatom"] = batch_data["mask"][:, :, None].repeat( 1, 1, batch_data["pos_heavyatom"].shape[2] ) batch_data["chain_nb"] = torch.full_like( batch_data["aa"], fill_value=0, dtype=torch.int64 ) batch_data["res_nb"] = new_arange(batch_data["aa"]) batch_data["generate_flag"] = batch_data["mask"].clone() batch_data["fragment_type"] = torch.full_like( batch_data["aa"], fill_value=1, dtype=torch.int64 ) return batch_data def ToPiFoldFormat(X, S, cfd, pad_special_tokens=False): mask = torch.isfinite(torch.sum(X, [-2, -1])) # atom mask numbers = torch.sum(mask, dim=1).long() S_new = torch.zeros_like(S) X_new = torch.zeros_like(X) + np.nan cfd_new = torch.zeros_like(cfd) for i, n in enumerate(numbers): X_new[i, :n] = X[i][mask[i] == 1] S_new[i, :n] = S[i][mask[i] == 1] cfd_new[i, :n] = cfd[i][mask[i] == 1] X = X_new S = S_new cfd = cfd_new return X, S, cfd_new class Featurizer(object): def __init__( self, alphabet: Alphabet, to_pifold_format=False, coord_nan_to_zero=True, atoms=("N", "CA", "C", "O"), ): self.alphabet = alphabet self.batcher = CoordBatchConverter( alphabet=alphabet, coord_pad_inf=alphabet.add_special_tokens, to_pifold_format=to_pifold_format, coord_nan_to_zero=coord_nan_to_zero, ) self.atoms = atoms def __call__(self, raw_batch: dict): seqs, coords, names = [], [], [] for entry in raw_batch: # [L, 3] x 4 -> [L, 4, 3] if isinstance(entry["coords"], dict): coords.append( np.stack([entry["coords"][atom] for atom in self.atoms], 1) ) else: coords.append(entry["coords"]) seqs.append(entry["seq"]) names.append(entry["name"]) ( coords, confidence, strs, tokens, lengths, coord_mask, ) = self.batcher.from_lists( coords_list=coords, confidence_list=None, seq_list=seqs ) # coord_mask = coord_mask > 0.5 batch = { "coords": coords, "tokens": tokens, "confidence": confidence, "coord_mask": coord_mask, "lengths": lengths, "seqs": seqs, "names": names, } return batch ================================================ FILE: src/byprot/datamodules/dataset/data_utils.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import heapq from typing import ( Any, Callable, Iterator, List, Optional, Sequence, Tuple, TypeVar, Union, ) import esm import numpy as np import torch from pytorch_lightning import seed_everything from torch import distributed as dist from torch.utils.data import DataChunk, Dataset from torch.utils.data.distributed import DistributedSampler from torch.utils.data.sampler import BatchSampler, SequentialSampler class Alphabet(object): def __init__( self, name="esm", featurizer="cath", alphabet_cfg={}, featurizer_cfg={} ): self.name = name self._alphabet = None if name == "esm": self._alphabet = esm.Alphabet.from_architecture("ESM-1b") self.add_special_tokens = True elif name == "protein_mpnn": self._alphabet = esm.Alphabet( standard_toks=[ "A", "R", "N", "D", "C", "Q", "E", "G", "H", "I", "L", "K", "M", "F", "P", "S", "T", "W", "Y", "V", ], prepend_toks=["", ""], append_toks=[], prepend_bos=False, append_eos=False, ) self.add_special_tokens = False else: self._alphabet = esm.Alphabet(**alphabet_cfg) self.add_special_tokens = ( self._alphabet.prepend_bos and self._alphabet.append_eos ) self._featurizer = self.get_featurizer(featurizer, **featurizer_cfg) def __getattr__(self, name: str) -> Any: try: return getattr(self._alphabet, name) except: raise AttributeError( f"{self.__class__} has no attribute `{name}`." ) def __len__(self): return len(self._alphabet) def get_featurizer(self, name="cath", **kwds): if name == "cath": from .cath import Featurizer return Featurizer( alphabet=self, to_pifold_format=kwds.get("to_pifold_format", False), coord_nan_to_zero=kwds.get("coord_nan_to_zero", True), ) elif name == "multichain": from .multichain import Featurizer return Featurizer(self, **kwds) @property def featurizer(self): return self._featurizer def featurize(self, raw_batch, **kwds): return self._featurizer(raw_batch, **kwds) def decode(self, batch_ids, return_as="str", remove_special=False): ret = [] for ids in batch_ids.cpu(): if return_as == "str": line = "".join([self.get_tok(id) for id in ids]) if remove_special: line = ( line.replace(self.get_tok(self.mask_idx), "_") .replace(self.get_tok(self.eos_idx), "") .replace(self.get_tok(self.cls_idx), "") .replace(self.get_tok(self.padding_idx), "") .replace(self.get_tok(self.unk_idx), "-") ) elif return_as == "list": line = [self.get_tok(id) for id in ids] ret.append(line) return ret class PDBDataProcessor(object): def parse_PDB( self, path_to_pdb, input_chain_list=None, masked_chain_list=None, ca_only=False, ): c = 0 pdb_dict_list = [] init_alphabet = [ "A", "B", "C", "D", "E", "F", "G", "H", "I", "J", "K", "L", "M", "N", "O", "P", "Q", "R", "S", "T", "U", "V", "W", "X", "Y", "Z", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", ] extra_alphabet = [str(item) for item in list(np.arange(300))] chain_alphabet = init_alphabet + extra_alphabet if input_chain_list: chain_alphabet = input_chain_list if ( not masked_chain_list ): # mask all chains to design the entire complex masked_chain_list = chain_alphabet masked_list, visible_list = [], [] biounit_names = [path_to_pdb] for biounit in biounit_names: my_dict = {} s = 0 concat_seq = "" concat_coords = [] concat_N = [] concat_CA = [] concat_C = [] concat_O = [] concat_mask = [] coords_dict = {} for letter in chain_alphabet: if ca_only: sidechain_atoms = ["CA"] else: sidechain_atoms = ["N", "CA", "C", "O"] xyz, seq = self.parse_PDB_biounits( biounit, atoms=sidechain_atoms, chain=letter ) if type(xyz) != str: concat_seq += seq[0] my_dict["seq_chain_" + letter] = seq[0] coords_dict_chain = {} if ca_only: coords_dict_chain["CA_chain_" + letter] = xyz.tolist() else: coords_dict_chain["N_chain_" + letter] = xyz[ :, 0, : ].tolist() coords_dict_chain["CA_chain_" + letter] = xyz[ :, 1, : ].tolist() coords_dict_chain["C_chain_" + letter] = xyz[ :, 2, : ].tolist() coords_dict_chain["O_chain_" + letter] = xyz[ :, 3, : ].tolist() my_dict["coords_chain_" + letter] = coords_dict_chain concat_coords.append(xyz.astype(np.float32)) if letter in masked_chain_list: masked_list.append(letter) else: visible_list.append(letter) s += 1 fi = biounit.rfind("/") my_dict["name"] = biounit[(fi + 1) : -4] my_dict["num_of_chains"] = s my_dict["seq"] = concat_seq my_dict["coords"] = np.concatenate(concat_coords, axis=0) my_dict["masked_list"] = masked_list my_dict["visible_list"] = visible_list if s <= len(chain_alphabet): pdb_dict_list.append(my_dict) c += 1 return pdb_dict_list[0] def parse_PDB_biounits(self, x, atoms=["N", "CA", "C"], chain=None): """ input: x = PDB filename atoms = atoms to extract (optional) output: (length, atoms, coords=(x,y,z)), sequence """ alpha_1 = list("ARNDCQEGHILKMFPSTWYVX") states = len(alpha_1) alpha_3 = [ "ALA", "ARG", "ASN", "ASP", "CYS", "GLN", "GLU", "GLY", "HIS", "ILE", "LEU", "LYS", "MET", "PHE", "PRO", "SER", "THR", "TRP", "TYR", "VAL", "GAP", ] aa_1_N = {a: n for n, a in enumerate(alpha_1)} aa_3_N = {a: n for n, a in enumerate(alpha_3)} aa_N_1 = {n: a for n, a in enumerate(alpha_1)} aa_1_3 = {a: b for a, b in zip(alpha_1, alpha_3)} aa_3_1 = {b: a for a, b in zip(alpha_1, alpha_3)} def AA_to_N(x): # ["ARND"] -> [[0,1,2,3]] x = np.array(x) if x.ndim == 0: x = x[None] return [[aa_1_N.get(a, states - 1) for a in y] for y in x] def N_to_AA(x): # [[0,1,2,3]] -> ["ARND"] x = np.array(x) if x.ndim == 1: x = x[None] return ["".join([aa_N_1.get(a, "X") for a in y]) for y in x] xyz, seq, min_resn, max_resn = {}, {}, 1e6, -1e6 for line in open(x, "rb"): line = line.decode("utf-8", "ignore").rstrip() if line[:6] == "HETATM" and line[17 : 17 + 3] == "MSE": line = line.replace("HETATM", "ATOM ") line = line.replace("MSE", "MET") if line[:4] == "ATOM": ch = line[21:22] if ch == chain or chain is None: atom = line[12 : 12 + 4].strip() resi = line[17 : 17 + 3] resn = line[22 : 22 + 5].strip() x, y, z = [float(line[i : (i + 8)]) for i in [30, 38, 46]] if resn[-1].isalpha(): resa, resn = resn[-1], int(resn[:-1]) - 1 else: resa, resn = "", int(resn) - 1 # resn = int(resn) if resn < min_resn: min_resn = resn if resn > max_resn: max_resn = resn if resn not in xyz: xyz[resn] = {} if resa not in xyz[resn]: xyz[resn][resa] = {} if resn not in seq: seq[resn] = {} if resa not in seq[resn]: seq[resn][resa] = resi if atom not in xyz[resn][resa]: xyz[resn][resa][atom] = np.array([x, y, z]) # convert to numpy arrays, fill in missing values seq_, xyz_ = [], [] try: for resn in range(min_resn, max_resn + 1): if resn in seq: for k in sorted(seq[resn]): seq_.append(aa_3_N.get(seq[resn][k], 20)) else: seq_.append(20) if resn in xyz: for k in sorted(xyz[resn]): for atom in atoms: if atom in xyz[resn][k]: xyz_.append(xyz[resn][k][atom]) else: xyz_.append(np.full(3, np.nan)) else: for atom in atoms: xyz_.append(np.full(3, np.nan)) return np.array(xyz_).reshape(-1, len(atoms), 3), N_to_AA( np.array(seq_) ) except TypeError: return "no_chain", "no_chain" T_co = TypeVar("T_co", covariant=True) def identity(example): return example class MaxTokensBatchSampler(BatchSampler): def __init__( self, dataset, batch_size, max_tokens=6000, drop_last=False, distributed=False, sort_key: Callable = None, sort=False, buffer_size_multiplier=100, seed=42, shuffle=True, ): self.distibuted = distributed if distributed: sampler = DistributedSampler(dataset, shuffle=shuffle) else: sampler = SequentialSampler(dataset) super().__init__(sampler, batch_size, drop_last) self.max_tokens = max_tokens self.sort_key = sort_key self.sort = sort self.max_buffer_size = max_tokens * buffer_size_multiplier self._epoch = 0 self._seed = seed self.shuffle = shuffle self.bucket_batches = [] self._num_samples = None self._build_batches() def __len__(self): return len(self.bucket_batches) def __iter__(self) -> Iterator[DataChunk[T_co]]: for batch, batch_size in self.bucket_batches: yield batch def _build_batches(self): buffer: List = [] buffer_size: int = 0 batch: List = [] batch_size: int = 0 bucket_batches = [] if self.sort: indices = sorted(list(self.sampler), key=self.sort_key) else: indices = self.sampler for index in indices: # 1) add to buffer length = self.sort_key(index) heapq.heappush(buffer, (length, index)) buffer_size += length # 2) create batches in the sorted buffer once buffer is full if buffer_size > self.max_buffer_size: length, index = heapq.heappop(buffer) buffer_size -= length if batch_size + length > self.max_tokens: bucket_batches.append((batch, batch_size)) batch, batch_size = [], 0 batch.append(index) batch_size += length # 3) create batches from the rest data in the buffer while buffer: length, index = heapq.heappop(buffer) # print(length, index) if batch_size + length > self.max_tokens: bucket_batches.append((batch, batch_size)) batch, batch_size = [], 0 batch.append(index) batch_size += length # 4) the last batch if batch: bucket_batches.append((batch, batch_size)) # 5) maybe shuffle if self.shuffle: seed_everything(self._seed + self._epoch) np.random.shuffle(bucket_batches) # 6) carefully deal with DDP, ensuring that every worker # has the same number of batches if self.distibuted: num_samples = torch.tensor(len(bucket_batches)).to( self.sampler.rank ) dist.all_reduce(num_samples, op=dist.ReduceOp.MAX) num_samples = num_samples.item() if len(bucket_batches) < num_samples: padding_size = num_samples - len(bucket_batches) bucket_batches += bucket_batches[:padding_size] self.bucket_batches = bucket_batches def set_epoch(self, epoch): self._epoch = epoch if self.distibuted: self.sampler.set_epoch(epoch) ================================================ FILE: src/byprot/datamodules/dataset/tokenized_protein.py ================================================ import imp import math import os from typing import Iterable, Sequence, TypeVar import datasets import numpy as np import pandas as pd import torch import torch.distributed as dist from datasets import load_dataset from torch.utils.data import BatchSampler, DataLoader, Dataset, Sampler from transformers import EsmTokenizer, PreTrainedTokenizer from transformers.tokenization_utils_base import AddedToken from byprot import utils log = utils.get_logger(__name__) T_co = TypeVar("T_co", covariant=True) def load_vocab_file(vocab_file): with open(vocab_file, "r") as f: lines = f.read().splitlines() return [l.strip() for l in lines] def preprocess_dataset(csv_path, data_bin, split): def remove_lowconf_ends(row, threshold=50): aa_seq, ss_seq, plddt = ( row["aa_seq"], row["struct_seq"], np.array(row["plddt"]), ) ss_seq = ss_seq.split(",") modeled_idx = np.where(plddt > threshold)[0] min_modeled_idx = np.min(modeled_idx) max_modeled_idx = np.max(modeled_idx) aa_seq = aa_seq[min_modeled_idx : (max_modeled_idx + 1)] ss_seq = ss_seq[min_modeled_idx : (max_modeled_idx + 1)] plddt = plddt[min_modeled_idx : (max_modeled_idx + 1)] ss_seq = ",".join(ss_seq) row["aa_seq"], row["struct_seq"], row["plddt"] = aa_seq, ss_seq, plddt return row # preprocess dataset afdb_pdb = pd.read_csv(csv_path) afdb_pdb.dropna(subset=["aa_seq"], inplace=True) afdb = afdb_pdb[afdb_pdb["split"] == "afdb_swissprot"] pdb = afdb_pdb[afdb_pdb["split"] == "pdb"] afdb["plddt"] = afdb["plddt"].apply( lambda l: [float(a) for a in l.split(",") if len(a) > 0] ) afdb = afdb.apply( lambda row: remove_lowconf_ends(row, threshold=70), axis=1 ) pdb["plddt"] = pdb["plddt"].apply( lambda l: [float(a) for a in l.split(",") if len(a) > 0] ) pdb = pdb.apply(lambda row: remove_lowconf_ends(row, threshold=70), axis=1) afdb["plddt_std"] = afdb["plddt"].apply(lambda l: np.std(l)) afdb = afdb[afdb["plddt_std"] < 15] remaining_set = pd.concat([afdb, pdb], axis=0) remaining_set = remaining_set[remaining_set["aa_seq"].str.len() <= 1024] remaining_set = remaining_set[ (remaining_set["split"] == "pdb") | ( (remaining_set["avg_plddt"].notna()) & (remaining_set["avg_plddt"] > 85) ) ] remaining_set["cluster"] = remaining_set["cluster"].apply(lambda x: str(x)) # save to huggingface dataset valid_set = afdb_pdb[afdb_pdb["split"] == "cameo2022"] valid_set = datasets.Dataset.from_pandas(valid_set) training_set = datasets.Dataset.from_pandas(remaining_set) def add_seqlen(example): example["length"] = len(example["aa_seq"]) return example training_set = training_set.map(add_seqlen) valid_set = valid_set.map(add_seqlen) os.makedirs(data_bin, exist_ok=True) training_set.save_to_disk(os.path.join(data_bin, "train"), num_proc=1) valid_set.save_to_disk(os.path.join(data_bin, "valid"), num_proc=1) log.info(f"Preprocessed dataset from {csv_path}.") return training_set if split == "train" else valid_set class SortishSampler(Sampler): """Returns indices such that inputs with similar lengths are close together.""" def __init__( self, sequence_lengths: Iterable, bucket_size: int, num_replicas: int = 1, rank: int = 0, epoch: int = 0, ): if dist.is_available(): num_replicas = dist.get_world_size() rank = dist.get_rank() self.data = np.argsort(sequence_lengths) self.num_replicas = num_replicas self.num_samples = int( math.ceil(len(self.data) * 1.0 / self.num_replicas) ) self.bucket_size = bucket_size n_buckets = int(np.ceil(len(self.data) / self.bucket_size)) self.data = [ self.data[i * bucket_size : i * bucket_size + bucket_size] for i in range(n_buckets) ] self.rank = rank self.epoch = epoch self.total_size = self.num_samples * self.num_replicas def __iter__(self): np.random.seed(self.epoch) for bucket in self.data: np.random.shuffle(bucket) np.random.shuffle(self.data) indices = [item for sublist in self.data for item in sublist] indices += indices[: (self.total_size - len(indices))] assert len(indices) == self.total_size # subsample start = self.rank * self.num_samples end = start + self.num_samples indices = indices[start:end] assert len(indices) == self.num_samples return iter(indices) def __len__(self): return self.num_samples def set_epoch(self, epoch): self.epoch = epoch class ApproxBatchSampler(BatchSampler): """ Parameters: ----------- sampler : Pytorch Sampler Choose base sampler class to use for bucketing max_tokens : int Maximum number of tokens per batch max_batch: int Maximum batch size sample_lengths : array-like List of lengths of sequences in the order of the dataset """ def __init__( self, sampler, max_tokens, max_batch, sample_lengths, max_square_tokens=np.inf, msa_depth=None, drop_last=False, batch_size=None, max_len=512, ): super().__init__(sampler, max_batch, drop_last) self.longest_token = 0 self.max_tokens = max_tokens self.max_batch = max_batch self.sampler = sampler self.sample_lengths = sample_lengths self.max_square_tokens = max_square_tokens self.max_len = max_len self.batches = self._build_batches() def _build_batches(self): batches = [] length = 0 ell_sq = 0 batch = [] for i, idx in enumerate(self.sampler): this_length = min(self.max_len, self.sample_lengths[idx]) linear = (len(batch) + 1) * max(length, this_length) quadratic = (len(batch) + 1) * max(ell_sq, this_length**2) if ( linear <= self.max_tokens and quadratic < self.max_square_tokens ): batch.append(idx) length = max(length, this_length) ell_sq = max(ell_sq, this_length**2) if len(batch) == self.max_batch: batches.append(batch) batch = [] length = 0 else: if len(batch) == 0: print("Current batch is empty! idx is ", idx) continue batches.append(batch) batch = [idx] length = this_length ell_sq = this_length**2 if len(batch) > 0: batches.append(batch) if self.sampler.num_replicas > 1: num_samples = torch.tensor(len(batches)).cuda() dist.all_reduce(num_samples, op=dist.ReduceOp.MAX) num_samples = num_samples.item() if len(batches) < num_samples: # padding_size = num_samples - len(batches) a = num_samples // len(batches) b = num_samples % len(batches) new_batches = batches * a new_batches += batches[:b] assert len(new_batches) == num_samples batches = new_batches return batches def __len__(self): return len(self.batches) def __iter__(self): for batch in self.batches: yield batch class TokenizedProteinDataset(Dataset): """Dataset that pulls from UniRef/Uniclust downloads. The data folder should contain the following: - 'consensus.fasta': consensus sequences, no line breaks in sequences - 'splits.json': a dict with keys 'train', 'valid', and 'test' mapping to lists of indices - 'lengths_and_offsets.npz': byte offsets for the 'consensus.fasta' and sequence lengths """ def __init__( self, data_dir: str, split: str, csv_file: str, max_len=2048, vocab_file="airkingbd/dplm2_650m", struct_vocab_size=8192, ): self.data_dir = data_dir self.split = split csv_path = os.path.join(self.data_dir, csv_file) data_path = os.path.join(self.data_dir, csv_file.replace(".csv", "")) try: self.data = load_dataset_from_hf(data_path, split) except: self.data = preprocess_dataset( csv_path, data_path, self.split, struct_vocab_size ) log.info(f"Dataset size: {len(self.data)}") self.max_len = max_len self.tokenizer = DPLM2Tokenizer.from_pretrained(vocab_file) def __len__(self): return len(self.data) def get_metadata_lens(self): return self.data["length"] def __getitem__(self, idx): row = self.data[int(idx)] max_len = min(self.max_len, row["length"]) struct_tokens = row["struct_seq"] struct_tokens = struct_tokens.split(",") if len(struct_tokens) - max_len > 0: start = np.random.choice(len(struct_tokens) - max_len) stop = start + max_len else: start = 0 stop = len(struct_tokens) struct_tokens = struct_tokens[start:stop] struct_tokens = "".join(struct_tokens) struct_tokens = ( self.tokenizer.struct_cls_token + struct_tokens + self.tokenizer.struct_eos_token ) aatype_tokens = row["aa_seq"] if len(aatype_tokens) - max_len > 0: # in order to keep the parallelism, start and end position should be same as struct seq aatype_tokens = aatype_tokens[start:stop] aatype_tokens = ( self.tokenizer.aa_cls_token + aatype_tokens + self.tokenizer.aa_eos_token ) return_dict = { "struct_tokens": struct_tokens, "aatype_tokens": aatype_tokens, "length": max_len + 2, } if "pdb_name" in row: return_dict["pdb_name"] = row["pdb_name"] return return_dict class Subset(Dataset[T_co]): r""" Subset of a dataset at specified indices. Args: dataset (Dataset): The whole Dataset indices (sequence): Indices in the whole set selected for subset """ dataset: Dataset[T_co] indices: Sequence[int] def __init__(self, dataset: Dataset[T_co], indices: Sequence[int]) -> None: self.dataset = dataset self.indices = indices def __getitem__(self, idx): if isinstance(idx, list): return self.dataset[[self.indices[i] for i in idx]] return self.dataset[self.indices[idx]] def __len__(self): return len(self.indices) class DPLM2Tokenizer(EsmTokenizer): SPECIAL_TOKENS_ATTRIBUTES = [ "aa_cls_token", "aa_eos_token", "aa_unk_token", "aa_mask_token", "struct_cls_token", "struct_eos_token", "struct_unk_token", "struct_mask_token", "pad_token", ] def __init__( self, vocab_file, aa_cls_token="", aa_eos_token="", aa_unk_token="", aa_mask_token="", struct_cls_token="", struct_eos_token="", struct_unk_token="", struct_mask_token="", pad_token="", **kwargs, ): self.all_tokens = load_vocab_file(vocab_file) self._id_to_token = dict(enumerate(self.all_tokens)) self._token_to_id = { tok: ind for ind, tok in enumerate(self.all_tokens) } self._aa_cls_token = None self._aa_eos_token = None self._aa_unk_token = None self._aa_mask_token = None self._struct_cls_token = None self._struct_eos_token = None self._struct_unk_token = None self._struct_mask_token = None self._pad_token = None PreTrainedTokenizer.__init__( self, aa_cls_token=aa_cls_token, aa_eos_token=aa_eos_token, aa_unk_token=aa_unk_token, aa_mask_token=aa_mask_token, struct_cls_token=struct_cls_token, struct_eos_token=struct_eos_token, struct_unk_token=struct_unk_token, struct_mask_token=struct_mask_token, pad_token=pad_token, **kwargs, ) self.unique_no_split_tokens = self.all_tokens self._update_trie(self.unique_no_split_tokens) @property def aa_eos_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._aa_eos_token is None: if self.verbose: log.error("Using aa_eos_token, but it is not set yet.") return None return str(self._aa_eos_token) @property def aa_cls_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._aa_cls_token is None: if self.verbose: log.error("Using aa_cls_token, but it is not set yet.") return None return str(self._aa_cls_token) @property def aa_unk_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._aa_unk_token is None: if self.verbose: log.error("Using aa_unk_token, but it is not set yet.") return None return str(self._aa_unk_token) @property def aa_mask_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._aa_mask_token is None: if self.verbose: log.error("Using aa_mask_token, but it is not set yet.") return None return str(self._aa_mask_token) @property def struct_eos_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._struct_eos_token is None: if self.verbose: log.error("Using struct_eos_token, but it is not set yet.") return None return str(self._struct_eos_token) @property def struct_cls_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._struct_cls_token is None: if self.verbose: log.error("Using struct_cls_token, but it is not set yet.") return None return str(self._struct_cls_token) @property def struct_unk_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._struct_unk_token is None: if self.verbose: log.error("Using struct_unk_token, but it is not set yet.") return None return str(self._struct_unk_token) @property def struct_mask_token(self) -> str: """ `str`: End of sentence token. Log an error if used while not having been set. """ if self._struct_mask_token is None: if self.verbose: log.error("Using struct_mask_token, but it is not set yet.") return None return str(self._struct_mask_token) @aa_cls_token.setter def aa_cls_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the aa_cls_token" ) self._aa_cls_token = value @aa_eos_token.setter def aa_eos_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the aa_eos_token" ) self._aa_eos_token = value @aa_unk_token.setter def aa_unk_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the aa_unk_token" ) self._aa_unk_token = value @aa_mask_token.setter def aa_mask_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the aa_mask_token" ) self._aa_mask_token = value @struct_cls_token.setter def struct_cls_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the struct_cls_token" ) self._struct_cls_token = value @struct_eos_token.setter def struct_eos_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the struct_eos_token" ) self._struct_eos_token = value @struct_unk_token.setter def struct_unk_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the struct_unk_token" ) self._struct_unk_token = value @struct_mask_token.setter def struct_mask_token(self, value): if not isinstance(value, (str, AddedToken)) and value is not None: raise ValueError( "Cannot set a non-string value as the struct_mask_token" ) self._struct_mask_token = value class DPLM2Collater(object): def __init__(self, tokenizer): self.tokenizer = ( tokenizer # DPLM2Tokenizer.from_pretrained(vocab_file) ) def __call__(self, raw_batch): if len(list(zip(*raw_batch))) == 0: print("list idx error!") print(raw_batch) struct_tokens_list = [sample["struct_tokens"] for sample in raw_batch] batch_struct = self.tokenizer.batch_encode_plus( struct_tokens_list, add_special_tokens=False, padding="longest", return_tensors="pt", ) batch_struct = { "targets": batch_struct["input_ids"], "attention_mask": batch_struct["attention_mask"].bool(), } aatype_list = [sample["aatype_tokens"] for sample in raw_batch] batch_aatype = self.tokenizer.batch_encode_plus( aatype_list, add_special_tokens=False, padding="longest", return_tensors="pt", ) batch_aatype = { "targets": batch_aatype["input_ids"], "attention_mask": batch_aatype["attention_mask"].bool(), } batch = { "struct_tokens": batch_struct, "aatype_tokens": batch_aatype, } if "pdb_name" in raw_batch[0]: pdb_name_list = [sample["pdb_name"] for sample in raw_batch] batch["pdb_name"] = pdb_name_list return batch def setup_dataloader( ds: TokenizedProteinDataset, max_tokens=6000, bucket_size=1000, max_batch_size=100, num_workers=8, rank=0, world_size=1, max_len=512, tokenizer=None, epoch=0, ) -> DataLoader: collater = DPLM2Collater(tokenizer) lens = ds.get_metadata_lens() train_sortish_sampler = SortishSampler( lens, bucket_size, num_replicas=world_size, rank=rank, epoch=epoch ) train_sampler = ApproxBatchSampler( train_sortish_sampler, max_tokens, max_batch_size, lens, max_len=max_len, ) dl = DataLoader( dataset=ds, batch_sampler=train_sampler, num_workers=num_workers, collate_fn=collater, ) return dl def load_dataset_from_hf(data_path, split): ds = load_dataset(data_path, name=split)["train"] return ds ================================================ FILE: src/byprot/datamodules/dataset/uniref.py ================================================ # Copyright (c) 2023 Microsoft Corporation # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on Jul 21, 2024 # # Original file was released under MIT, with the full license text # available at https://github.com/microsoft/evodiff/blob/main/LICENSE # # This modified file is released under the same license. import json import math import os import pickle as pkl from typing import Iterable, Sequence, TypeVar, Union import numpy as np import torch import torch.distributed as dist from torch.utils.data import BatchSampler, DataLoader, Dataset, Sampler from transformers import EsmTokenizer from byprot import utils log = utils.get_logger(__name__) T_co = TypeVar("T_co", covariant=True) class SortishSampler(Sampler): """Returns indices such that inputs with similar lengths are close together.""" def __init__( self, sequence_lengths: Iterable, bucket_size: int, num_replicas: int = 1, rank: int = 0, ): if dist.is_available(): num_replicas = dist.get_world_size() rank = dist.get_rank() self.data = np.argsort(sequence_lengths) self.num_replicas = num_replicas self.num_samples = int( math.ceil(len(self.data) * 1.0 / self.num_replicas) ) self.bucket_size = bucket_size n_buckets = int(np.ceil(len(self.data) / self.bucket_size)) self.data = [ self.data[i * bucket_size : i * bucket_size + bucket_size] for i in range(n_buckets) ] self.rank = rank self.epoch = 0 self.total_size = self.num_samples * self.num_replicas def __iter__(self): np.random.seed(self.epoch) for bucket in self.data: np.random.shuffle(bucket) np.random.shuffle(self.data) indices = [item for sublist in self.data for item in sublist] indices += indices[: (self.total_size - len(indices))] assert len(indices) == self.total_size # subsample start = self.rank * self.num_samples end = start + self.num_samples indices = indices[start:end] assert len(indices) == self.num_samples return iter(indices) def __len__(self): return self.num_samples def set_epoch(self, epoch): self.epoch = epoch class ApproxBatchSampler(BatchSampler): """ Parameters: ----------- sampler : Pytorch Sampler Choose base sampler class to use for bucketing max_tokens : int Maximum number of tokens per batch max_batch: int Maximum batch size sample_lengths : array-like List of lengths of sequences in the order of the dataset """ def __init__( self, sampler, max_tokens, max_batch, sample_lengths, max_square_tokens=np.inf, drop_last=False, batch_size=None, max_len=512, ): super().__init__(sampler, max_batch, drop_last) self.longest_token = 0 self.max_tokens = max_tokens self.max_batch = max_batch self.sampler = sampler self.sample_lengths = sample_lengths self.max_square_tokens = max_square_tokens self.max_len = max_len self.batches = self._build_batches() def _build_batches(self): batches = [] length = 0 ell_sq = 0 batch = [] for i, idx in enumerate(self.sampler): this_length = min(self.max_len, self.sample_lengths[idx]) linear = (len(batch) + 1) * max(length, this_length) quadratic = (len(batch) + 1) * max(ell_sq, this_length**2) if ( linear <= self.max_tokens and quadratic < self.max_square_tokens ): batch.append(idx) length = max(length, this_length) ell_sq = max(ell_sq, this_length**2) if len(batch) == self.max_batch: batches.append(batch) batch = [] length = 0 else: if len(batch) == 0: print("Current batch is empty! idx is ", idx) continue batches.append(batch) batch = [idx] length = this_length ell_sq = this_length**2 if len(batch) > 0: batches.append(batch) if self.sampler.num_replicas > 1: num_samples = torch.tensor(len(batches)).cuda() print( f"==============Local Rank {self.sampler.rank} Num Samples {num_samples}==============" ) dist.all_reduce(num_samples, op=dist.ReduceOp.MAX) print( f"==============All Reduce Num Samples {num_samples}==============" ) num_samples = num_samples.item() if len(batches) < num_samples: # padding_size = num_samples - len(batches) a = num_samples // len(batches) b = num_samples % len(batches) new_batches = batches * a new_batches += batches[:b] assert len(new_batches) == num_samples batches = new_batches print( f"==============After Reduce, Rank{self.sampler.rank}, Num Samples {num_samples}==============" ) return batches def __len__(self): return len(self.batches) def __iter__(self): for batch in self.batches: yield batch class UniRefDataset(Dataset): """Dataset that pulls from UniRef/Uniclust downloads. The data folder should contain the following: - 'consensus.fasta': consensus sequences, no line breaks in sequences - 'splits.json': a dict with keys 'train', 'valid', and 'test' mapping to lists of indices - 'lengths_and_offsets.npz': byte offsets for the 'consensus.fasta' and sequence lengths """ def __init__( self, data_dir: str, split: str, max_len=2048, ): self.data_dir = data_dir self.split = split metadata = np.load( os.path.join(self.data_dir, "lengths_and_offsets.npz") ) self.offsets = metadata["seq_offsets"] with open(os.path.join(data_dir, "splits.json"), "r") as f: self.indices = json.load(f)[self.split] log.info(f"Dataset size: {len(self.indices)}") self.metadata_lens = metadata["ells"][self.indices] self.max_len = max_len def __len__(self): return len(self.indices) def get_metadata_lens(self): return self.metadata_lens def __getitem__(self, idx): idx = self.indices[idx] offset = self.offsets[idx] with open(os.path.join(self.data_dir, "consensus.fasta")) as f: f.seek(offset) consensus = f.readline()[:-1] if len(consensus) - self.max_len > 0: start = np.random.choice(len(consensus) - self.max_len) stop = start + self.max_len else: start = 0 stop = len(consensus) consensus = consensus[start:stop] return consensus class Subset(Dataset[T_co]): r""" Subset of a dataset at specified indices. Args: dataset (Dataset): The whole Dataset indices (sequence): Indices in the whole set selected for subset """ dataset: Dataset[T_co] indices: Sequence[int] def __init__(self, dataset: Dataset[T_co], indices: Sequence[int]) -> None: self.dataset = dataset self.indices = indices def __getitem__(self, idx): if isinstance(idx, list): return self.dataset[[self.indices[i] for i in idx]] return self.dataset[self.indices[idx]] def __len__(self): return len(self.indices) class DPLMCollater(object): def __init__(self, tokenizer_path=None): # by default we use the EsmTokenizer and the esm vocab. # if you want to use the different vocab, # please set the vocab path to the tokenizer_path if tokenizer_path is None: self.alphabet = EsmTokenizer.from_pretrained( "facebook/esm2_t30_150M_UR50D" ) else: self.alphabet = EsmTokenizer.from_pretrained(tokenizer_path) def __call__(self, sequences): if len(list(zip(*sequences))) == 0: print("list idx error!") print(sequences) input_data = sequences batch = self.alphabet.batch_encode_plus( input_data, add_special_tokens=True, padding="longest", return_tensors="pt", ) batch = { "input_ids": batch["input_ids"], "input_mask": batch["attention_mask"].bool(), "targets": batch["input_ids"].clone(), } return batch def setup_dataloader( ds: UniRefDataset, max_tokens=6000, bucket_size=1000, max_batch_size=800, num_workers=8, rank=0, world_size=1, mini_run=False, max_len=512, ) -> DataLoader: collater = DPLMCollater() if mini_run: dl = DataLoader( dataset=ds, shuffle=True, batch_size=1, num_workers=4, collate_fn=collater, ) else: lens = ds.get_metadata_lens() train_sortish_sampler = SortishSampler( lens, bucket_size, num_replicas=world_size, rank=rank ) train_sampler = ApproxBatchSampler( train_sortish_sampler, max_tokens, max_batch_size, lens, max_len=max_len, ) dl = DataLoader( dataset=ds, batch_sampler=train_sampler, num_workers=num_workers, collate_fn=collater, ) return dl ================================================ FILE: src/byprot/datamodules/dataset/uniref_hf.py ================================================ import json import math import os import pickle as pkl from typing import Iterable, Sequence, TypeVar, Union import numpy as np import torch import torch.distributed as dist from datasets import load_dataset from torch.utils.data import BatchSampler, DataLoader, Dataset, Sampler from transformers import EsmTokenizer from byprot import utils log = utils.get_logger(__name__) T_co = TypeVar("T_co", covariant=True) class SortishSampler(Sampler): """Returns indices such that inputs with similar lengths are close together.""" def __init__( self, sequence_lengths: Iterable, bucket_size: int, num_replicas: int = 1, rank: int = 0, ): if dist.is_available(): num_replicas = dist.get_world_size() rank = dist.get_rank() self.data = np.argsort(sequence_lengths) self.num_replicas = num_replicas self.num_samples = int( math.ceil(len(self.data) * 1.0 / self.num_replicas) ) self.bucket_size = bucket_size n_buckets = int(np.ceil(len(self.data) / self.bucket_size)) self.data = [ self.data[i * bucket_size : i * bucket_size + bucket_size] for i in range(n_buckets) ] self.rank = rank self.epoch = 0 self.total_size = self.num_samples * self.num_replicas def __iter__(self): np.random.seed(self.epoch) for bucket in self.data: np.random.shuffle(bucket) np.random.shuffle(self.data) indices = [item for sublist in self.data for item in sublist] indices += indices[: (self.total_size - len(indices))] assert len(indices) == self.total_size # subsample start = self.rank * self.num_samples end = start + self.num_samples indices = indices[start:end] assert len(indices) == self.num_samples return iter(indices) def __len__(self): return self.num_samples def set_epoch(self, epoch): self.epoch = epoch class ApproxBatchSampler(BatchSampler): """ Parameters: ----------- sampler : Pytorch Sampler Choose base sampler class to use for bucketing max_tokens : int Maximum number of tokens per batch max_batch: int Maximum batch size sample_lengths : array-like List of lengths of sequences in the order of the dataset """ def __init__( self, sampler, max_tokens, max_batch, sample_lengths, max_square_tokens=np.inf, drop_last=False, batch_size=None, max_len=512, ): super().__init__(sampler, max_batch, drop_last) self.longest_token = 0 self.max_tokens = max_tokens self.max_batch = max_batch self.sampler = sampler self.sample_lengths = sample_lengths self.max_square_tokens = max_square_tokens self.max_len = max_len self.batches = self._build_batches() def _build_batches(self): batches = [] length = 0 ell_sq = 0 batch = [] for i, idx in enumerate(self.sampler): this_length = min(self.max_len, self.sample_lengths[idx]) linear = (len(batch) + 1) * max(length, this_length) quadratic = (len(batch) + 1) * max(ell_sq, this_length**2) if ( linear <= self.max_tokens and quadratic < self.max_square_tokens ): batch.append(idx) length = max(length, this_length) ell_sq = max(ell_sq, this_length**2) if len(batch) == self.max_batch: batches.append(batch) batch = [] length = 0 else: if len(batch) == 0: print("Current batch is empty! idx is ", idx) continue batches.append(batch) batch = [idx] length = this_length ell_sq = this_length**2 if len(batch) > 0: batches.append(batch) if self.sampler.num_replicas > 1: num_samples = torch.tensor(len(batches)).cuda() print( f"==============Local Rank {self.sampler.rank} Num Samples {num_samples}==============" ) dist.all_reduce(num_samples, op=dist.ReduceOp.MAX) print( f"==============All Reduce Num Samples {num_samples}==============" ) num_samples = num_samples.item() if len(batches) < num_samples: # padding_size = num_samples - len(batches) a = num_samples // len(batches) b = num_samples % len(batches) new_batches = batches * a new_batches += batches[:b] assert len(new_batches) == num_samples batches = new_batches print( f"==============After Reduce, Rank{self.sampler.rank}, Num Samples {num_samples}==============" ) return batches def __len__(self): return len(self.batches) def __iter__(self): for batch in self.batches: yield batch class UniRefHFDataset(Dataset): """Dataset that pulls from UniRef/Uniclust downloads. The data folder should contain the following: - 'consensus.fasta': consensus sequences, no line breaks in sequences - 'splits.json': a dict with keys 'train', 'valid', and 'test' mapping to lists of indices - 'lengths_and_offsets.npz': byte offsets for the 'consensus.fasta' and sequence lengths """ def __init__( self, data_dir: str, split: str, max_len=2048, ): self.data_dir = data_dir self.split = split self.indices = load_dataset_from_hf(self.data_dir, self.split) log.info(f"Dataset size: {len(self.indices)}") self.max_len = max_len def __len__(self): return len(self.indices) def get_metadata_lens(self): return self.indices["length"] def __getitem__(self, idx): seq = self.indices[int(idx)]["seq"] if len(seq) - self.max_len > 0: start = np.random.choice(len(seq) - self.max_len) stop = start + self.max_len else: start = 0 stop = len(seq) seq = seq[start:stop] return seq class UniRefDatasetForTesting(Dataset): def __init__( self, max_len=2048, num_seqs=40, ): # self.max_len = max_len self.indices = [] self.metadata_lens = [] for i in range(1, 11): self.indices += ["A" * 100 * i] * num_seqs self.metadata_lens += [100 * i] * num_seqs # self.indices += ['A' * 500] * num_seqs # self.metadata_lens += [500] * num_seqs # self.indices += ['A' * 800] * num_seqs # self.metadata_lens += [800] * num_seqs def __len__(self): return len(self.indices) def get_metadata_lens(self): return self.metadata_lens def __getitem__(self, idx): seq = self.indices[idx] return seq class Subset(Dataset[T_co]): r""" Subset of a dataset at specified indices. Args: dataset (Dataset): The whole Dataset indices (sequence): Indices in the whole set selected for subset """ dataset: Dataset[T_co] indices: Sequence[int] def __init__(self, dataset: Dataset[T_co], indices: Sequence[int]) -> None: self.dataset = dataset self.indices = indices def __getitem__(self, idx): if isinstance(idx, list): return self.dataset[[self.indices[i] for i in idx]] return self.dataset[self.indices[idx]] def __len__(self): return len(self.indices) class DPLMCollater(object): """Wrapped for OA Collater to operate on ESM w/ ESM alphabet and batch converter/tokens.""" def __init__(self, tokenizer_path=None): # by default we use the EsmTokenizer and the esm vocab. # if you want to use the different vocab, # please set the vocab path to the tokenizer_path if tokenizer_path is None: self.alphabet = EsmTokenizer.from_pretrained( "facebook/esm2_t30_150M_UR50D" ) else: self.alphabet = EsmTokenizer.from_pretrained(tokenizer_path) def __call__(self, sequences): if len(list(zip(*sequences))) == 0: print("list idx error!") print(sequences) input_data = sequences batch = self.alphabet.batch_encode_plus( input_data, add_special_tokens=True, padding="longest", return_tensors="pt", ) batch = { "input_ids": batch["input_ids"], "input_mask": batch["attention_mask"].bool(), "targets": batch["input_ids"].clone(), } return batch def setup_dataloader( ds: UniRefHFDataset, max_tokens=6000, bucket_size=1000, max_batch_size=800, num_workers=8, rank=0, world_size=1, max_len=512, ) -> DataLoader: collater = DPLMCollater() lens = ds.get_metadata_lens() train_sortish_sampler = SortishSampler( lens, bucket_size, num_replicas=world_size, rank=rank ) train_sampler = ApproxBatchSampler( train_sortish_sampler, max_tokens, max_batch_size, lens, max_len=max_len, ) dl = DataLoader( dataset=ds, batch_sampler=train_sampler, num_workers=num_workers, collate_fn=collater, ) return dl def load_dataset_from_hf(data_path, split): ds = load_dataset(data_path, split=split) return ds ================================================ FILE: src/byprot/datamodules/pdb_dataset/__init__.py ================================================ ================================================ FILE: src/byprot/datamodules/pdb_dataset/all_atom.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Utilities for calculating all atom representations. Code adapted from OpenFold. """ import torch from openfold.data import data_transforms from openfold.np import residue_constants from openfold.utils import rigid_utils as ru from byprot.datamodules.pdb_dataset import utils as du Rigid = ru.Rigid Rotation = ru.Rotation # Residue Constants from OpenFold/AlphaFold2. IDEALIZED_POS = torch.tensor( residue_constants.restype_atom14_rigid_group_positions ) DEFAULT_FRAMES = torch.tensor( residue_constants.restype_rigid_group_default_frame ) ATOM_MASK = torch.tensor(residue_constants.restype_atom14_mask) GROUP_IDX = torch.tensor(residue_constants.restype_atom14_to_rigid_group) def to_atom37(trans, rots): num_batch, num_res, _ = trans.shape final_atom37 = compute_backbone( du.create_rigid(rots, trans), torch.zeros(num_batch, num_res, 2, device=trans.device), )[0] return final_atom37 def torsion_angles_to_frames( r: Rigid, # type: ignore [valid-type] alpha: torch.Tensor, aatype: torch.Tensor, ): """Conversion method of torsion angles to frames provided the backbone. Args: r: Backbone rigid groups. alpha: Torsion angles. aatype: residue types. Returns: All 8 frames corresponding to each torsion frame. """ # [*, N, 8, 4, 4] with torch.no_grad(): default_4x4 = DEFAULT_FRAMES.to(aatype.device)[aatype, ...] # type: ignore [attr-defined] # [*, N, 8] transformations, i.e. # One [*, N, 8, 3, 3] rotation matrix and # One [*, N, 8, 3] translation matrix default_r = r.from_tensor_4x4(default_4x4) # type: ignore [attr-defined] bb_rot = alpha.new_zeros((*((1,) * len(alpha.shape[:-1])), 2)) bb_rot[..., 1] = 1 # [*, N, 8, 2] alpha = torch.cat( [bb_rot.expand(*alpha.shape[:-2], -1, -1), alpha], dim=-2 ) # [*, N, 8, 3, 3] # Produces rotation matrices of the form: # [ # [1, 0 , 0 ], # [0, a_2,-a_1], # [0, a_1, a_2] # ] # This follows the original code rather than the supplement, which uses # different indices. all_rots = alpha.new_zeros(default_r.get_rots().get_rot_mats().shape) all_rots[..., 0, 0] = 1 all_rots[..., 1, 1] = alpha[..., 1] all_rots[..., 1, 2] = -alpha[..., 0] all_rots[..., 2, 1:] = alpha all_rots = Rigid(Rotation(rot_mats=all_rots), None) all_frames = default_r.compose(all_rots) chi2_frame_to_frame = all_frames[..., 5] chi3_frame_to_frame = all_frames[..., 6] chi4_frame_to_frame = all_frames[..., 7] chi1_frame_to_bb = all_frames[..., 4] chi2_frame_to_bb = chi1_frame_to_bb.compose(chi2_frame_to_frame) chi3_frame_to_bb = chi2_frame_to_bb.compose(chi3_frame_to_frame) chi4_frame_to_bb = chi3_frame_to_bb.compose(chi4_frame_to_frame) all_frames_to_bb = Rigid.cat( [ all_frames[..., :5], chi2_frame_to_bb.unsqueeze(-1), chi3_frame_to_bb.unsqueeze(-1), chi4_frame_to_bb.unsqueeze(-1), ], dim=-1, ) all_frames_to_global = r[..., None].compose(all_frames_to_bb) # type: ignore [index] return all_frames_to_global def prot_to_torsion_angles(aatype, atom37, atom37_mask): """Calculate torsion angle features from protein features.""" prot_feats = { "aatype": aatype, "all_atom_positions": atom37, "all_atom_mask": atom37_mask, } torsion_angles_feats = data_transforms.atom37_to_torsion_angles()( prot_feats ) torsion_angles = torsion_angles_feats["torsion_angles_sin_cos"] torsion_mask = torsion_angles_feats["torsion_angles_mask"] return torsion_angles, torsion_mask def frames_to_atom14_pos( r: Rigid, # type: ignore [valid-type] aatype: torch.Tensor, ): """Convert frames to their idealized all atom representation. Args: r: All rigid groups. [..., N, 8, 3] aatype: Residue types. [..., N] Returns: """ with torch.no_grad(): group_mask = GROUP_IDX.to(aatype.device)[aatype, ...] group_mask = torch.nn.functional.one_hot( group_mask, num_classes=DEFAULT_FRAMES.shape[-3], ) frame_atom_mask = ATOM_MASK.to(aatype.device)[aatype, ...].unsqueeze(-1) # type: ignore [attr-defined] frame_null_pos = IDEALIZED_POS.to(aatype.device)[aatype, ...] # type: ignore [attr-defined] # [*, N, 14, 8] t_atoms_to_global = r[..., None, :] * group_mask # type: ignore [index] # [*, N, 14] t_atoms_to_global = t_atoms_to_global.map_tensor_fn( lambda x: torch.sum(x, dim=-1) ) # [*, N, 14, 3] pred_positions = t_atoms_to_global.apply(frame_null_pos) pred_positions = pred_positions * frame_atom_mask return pred_positions def compute_backbone(bb_rigids, psi_torsions): torsion_angles = torch.tile( psi_torsions[..., None, :], tuple([1 for _ in range(len(bb_rigids.shape))]) + (7, 1), ) aatype = torch.zeros(bb_rigids.shape, device=bb_rigids.device).long() # aatype = torch.zeros(bb_rigids.shape).long().to(bb_rigids.device) all_frames = torsion_angles_to_frames( bb_rigids, torsion_angles, aatype, ) atom14_pos = frames_to_atom14_pos(all_frames, aatype) atom37_bb_pos = torch.zeros( bb_rigids.shape + (37, 3), device=bb_rigids.device ) # atom14 bb order = ['N', 'CA', 'C', 'O', 'CB'] # atom37 bb order = ['N', 'CA', 'C', 'CB', 'O'] atom37_bb_pos[..., :3, :] = atom14_pos[..., :3, :] atom37_bb_pos[..., 3, :] = atom14_pos[..., 4, :] atom37_bb_pos[..., 4, :] = atom14_pos[..., 3, :] atom37_mask = torch.any(atom37_bb_pos, axis=-1) return atom37_bb_pos, atom37_mask, aatype, atom14_pos def calculate_neighbor_angles(R_ac, R_ab): """Calculate angles between atoms c <- a -> b. Parameters ---------- R_ac: Tensor, shape = (N,3) Vector from atom a to c. R_ab: Tensor, shape = (N,3) Vector from atom a to b. Returns ------- angle_cab: Tensor, shape = (N,) Angle between atoms c <- a -> b. """ # cos(alpha) = (u * v) / (|u|*|v|) x = torch.sum(R_ac * R_ab, dim=1) # shape = (N,) # sin(alpha) = |u x v| / (|u|*|v|) y = torch.cross(R_ac, R_ab).norm(dim=-1) # shape = (N,) # avoid that for y == (0,0,0) the gradient wrt. y becomes NaN y = torch.max(y, torch.tensor(1e-9)) angle = torch.atan2(y, x) return angle def vector_projection(R_ab, P_n): """Project the vector R_ab onto a plane with normal vector P_n. Parameters ---------- R_ab: Tensor, shape = (N,3) Vector from atom a to b. P_n: Tensor, shape = (N,3) Normal vector of a plane onto which to project R_ab. Returns ------- R_ab_proj: Tensor, shape = (N,3) Projected vector (orthogonal to P_n). """ a_x_b = torch.sum(R_ab * P_n, dim=-1) b_x_b = torch.sum(P_n * P_n, dim=-1) return R_ab - (a_x_b / b_x_b)[:, None] * P_n def transrot_to_atom37(transrot_traj, res_mask): atom37_traj = [] res_mask = res_mask.detach().cpu() num_batch = res_mask.shape[0] for trans, rots in transrot_traj: rigids = du.create_rigid(rots, trans) atom37 = compute_backbone( rigids, torch.zeros( trans.shape[0], trans.shape[1], 2, device=trans.device ), )[0] atom37 = atom37.detach().cpu() batch_atom37 = [] for i in range(num_batch): batch_atom37.append(du.adjust_oxygen_pos(atom37[i], res_mask[i])) atom37_traj.append(torch.stack(batch_atom37)) return atom37_traj def atom37_from_trans_rot(trans, rots, res_mask): rigids = du.create_rigid(rots, trans) atom37 = compute_backbone( rigids, torch.zeros(trans.shape[0], trans.shape[1], 2, device=trans.device), )[0] atom37 = atom37.detach().cpu() batch_atom37 = [] num_batch = res_mask.shape[0] for i in range(num_batch): batch_atom37.append(adjust_oxygen_pos(atom37[i], res_mask[i])) return torch.stack(batch_atom37) def process_trans_rot_traj(trans_traj, rots_traj, res_mask): res_mask = res_mask.detach().cpu() atom37_traj = [ atom37_from_trans_rot(trans, rots, res_mask) for trans, rots in zip(trans_traj, rots_traj) ] atom37_traj = torch.stack(atom37_traj).swapaxes(0, 1) return atom37_traj def adjust_oxygen_pos( atom_37: torch.Tensor, pos_is_known=None ) -> torch.Tensor: """Imputes the position of the oxygen atom on the backbone by using adjacent frame information. Specifically, we say that the oxygen atom is in the plane created by the Calpha and C from the current frame and the nitrogen of the next frame. The oxygen is then placed c_o_bond_length Angstrom away from the C in the current frame in the direction away from the Ca-C-N triangle. For cases where the next frame is not available, for example we are at the C-terminus or the next frame is not available in the data then we place the oxygen in the same plane as the N-Ca-C of the current frame and pointing in the same direction as the average of the Ca->C and Ca->N vectors. Args: atom_37 (torch.Tensor): (N, 37, 3) tensor of positions of the backbone atoms in atom_37 ordering which is ['N', 'CA', 'C', 'CB', 'O', ...] pos_is_known (torch.Tensor): (N,) mask for known residues. """ N = atom_37.shape[0] assert atom_37.shape == (N, 37, 3) # Get vectors to Carbonly from Carbon alpha and N of next residue. (N-1, 3) # Note that the (N,) ordering is from N-terminal to C-terminal. # Calpha to carbonyl both in the current frame. calpha_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[:-1, 1, :] ) / ( torch.norm( atom_37[:-1, 2, :] - atom_37[:-1, 1, :], keepdim=True, dim=1 ) + 1e-7 ) # For masked positions, they are all 0 and so we add 1e-7 to avoid division by 0. # The positions are in Angstroms and so are on the order ~1 so 1e-7 is an insignificant change. # Nitrogen of the next frame to carbonyl of the current frame. nitrogen_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[1:, 0, :] ) / ( torch.norm(atom_37[:-1, 2, :] - atom_37[1:, 0, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen: torch.Tensor = ( calpha_to_carbonyl + nitrogen_to_carbonyl ) # (N-1, 3) carbonyl_to_oxygen = carbonyl_to_oxygen / ( torch.norm(carbonyl_to_oxygen, dim=1, keepdim=True) + 1e-7 ) atom_37[:-1, 4, :] = atom_37[:-1, 2, :] + carbonyl_to_oxygen * 1.23 # Now we deal with frames for which there is no next frame available. # Calpha to carbonyl both in the current frame. (N, 3) calpha_to_carbonyl_term: torch.Tensor = ( atom_37[:, 2, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 2, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) # Calpha to nitrogen both in the current frame. (N, 3) calpha_to_nitrogen_term: torch.Tensor = ( atom_37[:, 0, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 0, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen_term: torch.Tensor = ( calpha_to_carbonyl_term + calpha_to_nitrogen_term ) # (N, 3) carbonyl_to_oxygen_term = carbonyl_to_oxygen_term / ( torch.norm(carbonyl_to_oxygen_term, dim=1, keepdim=True) + 1e-7 ) # Create a mask that is 1 when the next residue is not available either # due to this frame being the C-terminus or the next residue is not # known due to pos_is_known being false. if pos_is_known is None: pos_is_known = torch.ones( (atom_37.shape[0],), dtype=torch.int64, device=atom_37.device ) next_res_gone: torch.Tensor = ~pos_is_known.bool() # (N,) next_res_gone = torch.cat( [next_res_gone, torch.ones((1,), device=pos_is_known.device).bool()], dim=0, ) # (N+1, ) next_res_gone = next_res_gone[1:] # (N,) atom_37[next_res_gone, 4, :] = ( atom_37[next_res_gone, 2, :] + carbonyl_to_oxygen_term[next_res_gone, :] * 1.23 ) return atom_37 ================================================ FILE: src/byprot/datamodules/pdb_dataset/pdb_datamodule.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 """PDB data loader.""" import functools as fn import logging import math import random import numpy as np import pandas as pd import torch import tree from openfold.config import config as OF_CONFIG from openfold.data import data_transforms from openfold.utils import rigid_utils from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, Dataset, default_collate from torch.utils.data.distributed import DistributedSampler, dist from byprot import utils from byprot.datamodules import register_datamodule from byprot.datamodules.dataset.data_utils import MaxTokensBatchSampler from byprot.datamodules.pdb_dataset import utils as du from .utils import aatype_to_seq, seq_to_aatype log = utils.get_logger(__name__) SHAPE_SCHEMA = dict(OF_CONFIG.data.common.feat) SHAPE_SCHEMA["chain_index"] = SHAPE_SCHEMA["residue_index"] SHAPE_SCHEMA["gvp_feat"] = SHAPE_SCHEMA["residue_index"] from textwrap import wrap struct_seq_to_ids = lambda struct_seq: [ int(elem) for elem in struct_seq.strip().split(",") ] struct_ids_to_seq = lambda ids: ",".join([f"{elem:04d}" for elem in ids]) def load_from_pdb(pdb_path, batch=False): raw_chain_feats, metadata = du.process_pdb_file(pdb_path) chain_feats = PdbDataset.process_chain(raw_chain_feats) chain_feats["pdb_name"] = metadata["pdb_name"] return chain_feats def collate_fn(batch: list): new_batch = [] max_len = max([len(elem["res_mask"]) for elem in batch]) # max_len = 400 for raw_feats in batch: padded_feats = du.pad_feats(raw_feats, max_len=max_len, use_torch=True) new_batch.append(padded_feats) return default_collate(new_batch) def exists(o): return o is not None @register_datamodule("pdb") class PdbDataModule(LightningDataModule): def __init__(self, data_cfg): super().__init__() self.data_cfg = data_cfg self.loader_cfg = data_cfg.loader self.dataset_cfg = data_cfg.dataset self.sampler_cfg = data_cfg.sampler self._dist_sampler = None self.collate_batch = collate_fn def setup(self, stage: str): self._train_dataset = PdbDataset( dataset_cfg=self.dataset_cfg, split=self.dataset_cfg.train_split, is_training=True, ) self._valid_dataset = PdbDataset( dataset_cfg=self.dataset_cfg, split=self.dataset_cfg.valid_split, is_training=False, ) def train_dataloader(self, rank=None, num_replicas=None): num_workers = self.loader_cfg.num_workers if self.loader_cfg.get("length_batch"): return DataLoader( self._train_dataset, batch_sampler=LengthBatcher( sampler_cfg=self.sampler_cfg, metadata_csv=self._train_dataset.csv, rank=rank, num_replicas=num_replicas, ), num_workers=num_workers, prefetch_factor=( None if num_workers == 0 else self.loader_cfg.prefetch_factor ), pin_memory=True, persistent_workers=True if num_workers > 0 else False, ) elif self.loader_cfg.get("bucket_sort"): if not hasattr(self, "train_batch_sampler"): self.train_batch_sampler = self._build_batch_sampler( self._train_dataset, max_tokens=int(self.sampler_cfg.max_num_res_squared), shuffle=True, ) else: self._train_dataset._seed = ( self.dataset_cfg.seed + self.train_batch_sampler._epoch ) self._train_dataset._init_metadata() return DataLoader( dataset=self._train_dataset, batch_sampler=self.train_batch_sampler, num_workers=num_workers, pin_memory=True, collate_fn=self.collate_batch, ) else: if self._dist_sampler is None: self._dist_sampler = DistributedSampler( self._train_dataset, shuffle=True ) else: self._train_dataset._seed = ( self.dataset_cfg.seed + self._dist_sampler.epoch ) self._train_dataset._init_metadata() return DataLoader( self._train_dataset, sampler=self._dist_sampler, batch_size=self.loader_cfg.batch_size, num_workers=num_workers, prefetch_factor=( None if num_workers == 0 else self.loader_cfg.prefetch_factor ), pin_memory=True, persistent_workers=True if num_workers > 0 else False, collate_fn=self.collate_batch, ) def _build_batch_sampler( self, dataset, max_tokens, shuffle=False, distributed=True ): is_distributed = distributed and torch.distributed.is_initialized() batch_sampler = MaxTokensBatchSampler( dataset=dataset, shuffle=shuffle, distributed=is_distributed, batch_size=self.loader_cfg.batch_size, max_tokens=max_tokens, sort=True, drop_last=True, sort_key=lambda i: min( dataset.csv.iloc[i]["modeled_seq_len"], ( self.dataset_cfg.crop_size if self.dataset_cfg.crop_size > 0 else 1e5 ), ) ** 2, ) return batch_sampler def val_dataloader(self): return DataLoader( self._valid_dataset, # sampler=DistributedSampler(self._valid_dataset, shuffle=False), shuffle=False, num_workers=2, prefetch_factor=2, persistent_workers=True, ) class PdbDataset(Dataset): def __init__( self, *, dataset_cfg, split, is_training, ): self._log = log self._is_training = is_training self._dataset_cfg = dataset_cfg self._seed = self._dataset_cfg.seed self.split = split self.crop_size = self.dataset_cfg.crop_size self._init_metadata() self._cache = {} self._rng = np.random.default_rng(seed=self._dataset_cfg.seed) @property def is_training(self): return self._is_training @property def dataset_cfg(self): return self._dataset_cfg def _init_metadata(self): """Initialize metadata.""" # Process CSV with different filtering criterions. pdb_csv = pd.read_csv(self.dataset_cfg.csv_path) pdb_csv = pdb_csv[pdb_csv.split.isin(self.split)] self.raw_csv = pdb_csv # Filtering filter_conf = self.dataset_cfg.filter # pdb_csv = pdb_csv[pdb_csv.modeled_seq_len <= filter_conf.max_len] # pdb_csv = pdb_csv[pdb_csv.modeled_seq_len >= filter_conf.min_len] # Training or validation specific logic. if not self._is_training: self.crop_size = 0 # pdb_csv = pdb_csv[pdb_csv.split == self.split] pdb_csv = pdb_csv[ pdb_csv.modeled_seq_len <= self.dataset_cfg.eval_max_len ] pdb_csv = pdb_csv[pdb_csv.modeled_seq_len >= filter_conf.min_len] pdb_csv = pdb_csv.sort_values("modeled_seq_len", ascending=False) self.csv = pdb_csv self._log.info( f"Validation ({self.split}): {len(self.csv)} examples" ) return pdb_csv = pdb_csv[pdb_csv.modeled_seq_len <= filter_conf.max_len] pdb_csv = pdb_csv[pdb_csv.modeled_seq_len >= filter_conf.min_len] if ( filter_conf.allowed_oligomer is not None and len(filter_conf.allowed_oligomer) > 0 ): pdb_csv = pdb_csv[ pdb_csv.oligomeric_detail.isin(filter_conf.allowed_oligomer) ] if filter_conf.max_helix_percent is not None: pdb_csv = pdb_csv[ pdb_csv.helix_percent < filter_conf.max_helix_percent ] if filter_conf.max_loop_percent is not None: pdb_csv = pdb_csv[ pdb_csv.coil_percent < filter_conf.max_loop_percent ] if filter_conf.min_beta_percent is not None: pdb_csv = pdb_csv[ pdb_csv.strand_percent > filter_conf.min_beta_percent ] if ( self._is_training and filter_conf.rog_quantile is not None and filter_conf.rog_quantile > 0.0 ): prot_rog_low_pass = _rog_quantile_curve( pdb_csv, filter_conf.rog_quantile, np.arange(filter_conf.max_len), ) row_rog_cutoffs = pdb_csv.modeled_seq_len.map( lambda x: prot_rog_low_pass[x - 1] ) pdb_csv = pdb_csv[pdb_csv.radius_gyration < row_rog_cutoffs] if filter_conf.subset is not None: pdb_csv = pdb_csv.iloc[: filter_conf.subset] if filter_conf.get("min_lddt_ca") is not None: _num_examples = len(pdb_csv) pdb_csv = pdb_csv[ (pdb_csv.lddt_ca.notnull()) & (pdb_csv.lddt_ca > filter_conf.min_lddt_ca) ] self._log.info( f"Filtering by min_lddt_ca. before: {_num_examples} examples; after: {len(pdb_csv)} examples" ) pdb_csv = pdb_csv.sort_values("modeled_seq_len", ascending=False) if self._dataset_cfg.get("load_gvp_feat"): pdb_csv = pdb_csv[pdb_csv.gvp_feat_path.notnull()] # if self._dataset_cfg.get("load_struct_seq"): # pdb_csv = pdb_csv[pdb_csv.struct_seq.notnull()] if self.is_training and filter_conf.get("cluster_sample"): print(f"Sampling clusters with seed {self._seed}") pdb_csv = self.sample_cluster(pdb_csv, seed=self._seed) # Training or validation specific logic. self.csv = pdb_csv self._log.info( f"{'Training' if self._is_training else 'Validation'} ({self.split}): {len(self.csv)} examples" ) # if self.is_training: # self.csv = pdb_csv # self._log.info(f"Training: {len(self.csv)} examples") # else: # eval_csv = pdb_csv[pdb_csv.modeled_seq_len <= self.dataset_cfg.eval_max_len] # all_lengths = np.sort(eval_csv.modeled_seq_len.unique()) # length_indices = (len(all_lengths) - 1) * np.linspace( # 0.0, 1.0, self.dataset_cfg.eval_num_lengths # ) # length_indices = length_indices.astype(int) # eval_lengths = all_lengths[length_indices] # eval_csv = eval_csv[eval_csv.modeled_seq_len.isin(eval_lengths)] # # Fix a random seed to get the same split each time. # eval_csv = eval_csv.groupby("modeled_seq_len").sample( # self.dataset_cfg.samples_per_eval_length, replace=True, random_state=123 # ) # eval_csv = eval_csv.sort_values("modeled_seq_len", ascending=False) # self.csv = eval_csv # self._log.info(f"Validation: {len(self.csv)} examples with lengths {eval_lengths}") # self.crop_size = -1 def sample_cluster(self, pdb_csv, seed): return pdb_csv.groupby("cluster").sample(1, random_state=seed) def _process_csv_row2(self, processed_file_path): processed_feats = du.read_pkl(processed_file_path) processed_feats = du.parse_chain_feats(processed_feats) # Only take modeled residues. modeled_idx = processed_feats["modeled_idx"] min_idx = np.min(modeled_idx) max_idx = np.max(modeled_idx) del processed_feats["modeled_idx"] processed_feats = tree.map_structure( lambda x: x[min_idx : (max_idx + 1)], processed_feats ) # Run through OpenFold data transforms. chain_feats = { "aatype": torch.tensor(processed_feats["aatype"]).long(), "all_atom_positions": torch.tensor( processed_feats["atom_positions"] ).double(), "all_atom_mask": torch.tensor( processed_feats["atom_mask"] ).double(), } chain_feats = data_transforms.atom37_to_frames(chain_feats) rigids_1 = rigid_utils.Rigid.from_tensor_4x4( chain_feats["rigidgroups_gt_frames"] )[:, 0] rotmats_1 = rigids_1.get_rots().get_rot_mats() trans_1 = rigids_1.get_trans() res_idx = processed_feats["residue_index"] return { "aatype": chain_feats["aatype"], "res_idx": res_idx - np.min(res_idx) + 1, "rotmats_1": rotmats_1, "trans_1": trans_1, "res_mask": torch.tensor(processed_feats["bb_mask"]).int(), } # @fn.lru_cache(maxsize=100) # def _process_csv_row(self, processed_file_path): # processed_feats = du.read_pkl(processed_file_path) # final_feats = PdbDataset.process_chain( # processed_feats, # random_crop=self.crop_size > 0, # crop_size=self.crop_size, # ) # return final_feats @staticmethod def process_chain(chain_feats: dict, random_crop=False, crop_size=256): processed_feats = du.parse_chain_feats(chain_feats) gvp_feat = processed_feats.pop("gvp_feat", None) # Only take modeled residues. modeled_idx = processed_feats.pop("modeled_idx") min_idx = np.min(modeled_idx) max_idx = np.max(modeled_idx) modeled_seq_len = max_idx - min_idx + 1 # processed_feats = tree.map_structure( # lambda x: x[min_idx : (max_idx + 1)], processed_feats # ) processed_feats = tree.map_structure( lambda x: x[min_idx : (max_idx + 1)], processed_feats ) if "plddt" in chain_feats: def crop_by_conf(processed_feats, plddt, threshold=70): modeled_mask = plddt > threshold modeled_idx = np.where(modeled_mask)[0] min_modeled_idx = np.min(modeled_idx) max_modeled_idx = np.max(modeled_idx) processed_feats = tree.map_structure( lambda x: x[min_modeled_idx : (max_modeled_idx + 1)], processed_feats, ) return processed_feats processed_feats = crop_by_conf( processed_feats, chain_feats["plddt"] ) processed_feats["modeled_idx"] = modeled_idx # Re-number residue indices for each chain such that it starts from 1. # Randomize chain indices. chain_idx = processed_feats["chain_index"] res_idx = processed_feats["residue_index"] new_res_idx = np.zeros_like(res_idx) new_chain_idx = np.zeros_like(res_idx) all_chain_idx = np.unique(chain_idx).tolist() shuffled_chain_idx = ( np.array(random.sample(all_chain_idx, len(all_chain_idx))) - np.min(all_chain_idx) + 1 ) for i, chain_id in enumerate(all_chain_idx): chain_mask = (chain_idx == chain_id).astype(int) chain_min_idx = np.min(res_idx + (1 - chain_mask) * 1e3).astype( int ) new_res_idx = ( new_res_idx + (res_idx - chain_min_idx + 1) * chain_mask ) # Shuffle chain_index replacement_chain_id = shuffled_chain_idx[i] new_chain_idx = new_chain_idx + replacement_chain_id * chain_mask # Run through OpenFold data transforms. chain_feats = { "aatype": torch.LongTensor(processed_feats["aatype"]), "seq_mask": torch.FloatTensor(processed_feats["bb_mask"]), # "seq_length": torch.LongTensor(processed_feats["bb_mask"]).sum(), "seq_length": torch.tensor(modeled_seq_len), "all_atom_positions": torch.FloatTensor( processed_feats["atom_positions"] ), "all_atom_mask": torch.FloatTensor(processed_feats["atom_mask"]), "residue_index": torch.LongTensor(new_res_idx), "chain_index": torch.LongTensor(chain_idx), } if gvp_feat is not None: chain_feats["gvp_feat"] = torch.FloatTensor(gvp_feat) if random_crop: chain_feats = data_transforms.random_crop_to_size( crop_size, 0, SHAPE_SCHEMA )(chain_feats) chain_feats = data_transforms.make_fixed_size( SHAPE_SCHEMA, 0, 0, crop_size, 0 )(chain_feats) chain_feats = data_transforms.atom37_to_frames(chain_feats) chain_feats = data_transforms.make_atom14_masks(chain_feats) chain_feats = data_transforms.make_atom14_positions(chain_feats) chain_feats = data_transforms.atom37_to_torsion_angles()(chain_feats) chain_feats = data_transforms.make_pseudo_beta("")(chain_feats) chain_feats = data_transforms.get_backbone_frames(chain_feats) # only modeling backbone MODELED_ATOMS = 5 chain_feats["all_atom_mask"][..., MODELED_ATOMS:] = 0.0 chain_feats["atom14_atom_exists"][..., MODELED_ATOMS:] = 0.0 chain_feats["atom37_atom_exists"][..., MODELED_ATOMS:] = 0.0 # To speed up processing, only take necessary features final_feats = { "aatype": chain_feats["aatype"], "residue_index": chain_feats["residue_index"], "seq_length": chain_feats["seq_length"], "chain_index": chain_feats["chain_index"], "res_mask": chain_feats["seq_mask"], "all_atom_positions": chain_feats["all_atom_positions"], "all_atom_mask": chain_feats["all_atom_mask"], "atom14_gt_positions": chain_feats["atom14_gt_positions"], "atom14_atom_exists": chain_feats["atom14_atom_exists"], "pseudo_beta": chain_feats["pseudo_beta"], "pseudo_beta_mask": chain_feats["pseudo_beta_mask"], "residx_atom14_to_atom37": chain_feats["residx_atom14_to_atom37"], "rigidgroups_gt_frames": chain_feats["rigidgroups_gt_frames"], "rigidgroups_gt_exists": chain_feats["rigidgroups_gt_exists"], "backbone_rigid_tensor": chain_feats["backbone_rigid_tensor"], "backbone_rigid_mask": chain_feats["backbone_rigid_mask"], "torsion_angles_sin_cos": chain_feats["torsion_angles_sin_cos"], } if gvp_feat is not None: final_feats["gvp_feat"] = chain_feats["gvp_feat"] return final_feats def __len__(self): return len(self.csv) def __getitem__(self, idx): # Sample data example. example_idx = idx csv_row = self.csv.iloc[example_idx] chain_feats = self._process_csv_row(csv_row) chain_feats["csv_idx"] = torch.ones(1, dtype=torch.long) * csv_row.name return chain_feats def _process_csv_row(self, csv_row): path = csv_row["processed_path"].format( data_dir=self.dataset_cfg.data_dir ) seq_len = csv_row["modeled_seq_len"] # Large protein files are slow to read. Cache them. use_cache = seq_len > self._dataset_cfg.cache_num_res if use_cache and path in self._cache: return self._cache[path] processed_feats = du.read_pkl(path) if self._is_training and self._dataset_cfg.get("load_gvp_feat"): gvp_path = csv_row["gvp_feat_path"].format( data_dir=self.dataset_cfg.data_dir ) processed_feats["gvp_feat"] = torch.load( gvp_path, map_location="cpu" ) if ( self._is_training and self._dataset_cfg.filter.get("conf_masking") and csv_row.split == "afdb_swissprot" ): try: _read_plddt = lambda _ss: np.array( list(map(float, _ss.split(","))) ) processed_feats["plddt"] = plddt = _read_plddt( csv_row["plddt"] ) modeled_mask = plddt > 70 processed_feats["atom_positions"][~modeled_mask] = np.nan except Exception as e: print(csv_row.pdb_name, csv_row["plddt"]) processed_feats = PdbDataset.process_chain( processed_feats, random_crop=self.crop_size > 0 and processed_feats["aatype"].shape[0] > self.crop_size, crop_size=self.crop_size, ) # processed_feats["pdb_name"] = csv_row["pdb_name"] if use_cache: self._cache[path] = processed_feats return processed_feats class LengthBatcher: def __init__( self, *, sampler_cfg, metadata_csv, seed=123, shuffle=True, num_replicas=None, rank=None, ): super().__init__() self._log = logging.getLogger(__name__) if num_replicas is None: self.num_replicas = dist.get_world_size() else: self.num_replicas = num_replicas if rank is None: self.rank = dist.get_rank() else: self.rank = rank self._sampler_cfg = sampler_cfg self._data_csv = metadata_csv # Each replica needs the same number of batches. We set the number # of batches to arbitrarily be the number of examples per replica. self._num_batches = math.ceil(len(self._data_csv) / self.num_replicas) self._data_csv["index"] = list(range(len(self._data_csv))) self.seed = seed self.shuffle = shuffle self.epoch = 0 self.max_batch_size = self._sampler_cfg.max_batch_size self._log.info( f"Created dataloader rank {self.rank+1} out of {self.num_replicas}" ) self._create_batches() def _replica_epoch_batches(self): # Make sure all replicas share the same seed on each epoch. rng = torch.Generator() rng.manual_seed(self.seed + self.epoch) if self.shuffle: indices = torch.randperm( len(self._data_csv), generator=rng ).tolist() else: indices = list(range(len(self._data_csv))) if len(self._data_csv) > self.num_replicas: replica_csv = self._data_csv.iloc[ indices[self.rank :: self.num_replicas] ] else: replica_csv = self._data_csv # Each batch contains multiple proteins of the same length. sample_order = [] for seq_len, len_df in replica_csv.groupby("modeled_seq_len"): max_batch_size = min( self.max_batch_size, self._sampler_cfg.max_num_res_squared // seq_len**2 + 1, ) num_batches = math.ceil(len(len_df) / max_batch_size) shuffled_len_df = len_df.sample(frac=1).reset_index(drop=True) for i in range(num_batches): batch_df = shuffled_len_df.iloc[ i * max_batch_size : (i + 1) * max_batch_size ] batch_indices = batch_df["index"].tolist() sample_order.append(batch_indices) # Remove any length bias. new_order = ( torch.randperm(len(sample_order), generator=rng).numpy().tolist() ) return [sample_order[i] for i in new_order] def _create_batches(self): # Make sure all replicas have the same number of batches Otherwise leads to bugs. # See bugs with shuffling https://github.com/Lightning-AI/lightning/issues/10947 all_batches = [] num_augments = -1 while len(all_batches) < self._num_batches: all_batches.extend(self._replica_epoch_batches()) num_augments += 1 if num_augments > 1000: raise ValueError("Exceeded number of augmentations.") if len(all_batches) >= self._num_batches: all_batches = all_batches[: self._num_batches] self.sample_order = all_batches def __iter__(self): yield from iter(self.sample_order) self.epoch += 1 self._create_batches() def __len__(self): return len(self.sample_order) from sklearn.linear_model import LinearRegression from sklearn.preprocessing import PolynomialFeatures def _rog_quantile_curve(df, quantile, eval_x): y_quant = pd.pivot_table( df, values="radius_gyration", index="modeled_seq_len", aggfunc=lambda x: np.quantile(x, quantile), ) x_quant = y_quant.index.to_numpy() y_quant = y_quant.radius_gyration.to_numpy() # Fit polynomial regressor poly = PolynomialFeatures(degree=4, include_bias=True) poly_features = poly.fit_transform(x_quant[:, None]) poly_reg_model = LinearRegression() poly_reg_model.fit(poly_features, y_quant) # Calculate cutoff for all sequence lengths pred_poly_features = poly.fit_transform(eval_x[:, None]) # Add a little more. pred_y = poly_reg_model.predict(pred_poly_features) + 0.1 return pred_y return pred_y ================================================ FILE: src/byprot/datamodules/pdb_dataset/protein.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Protein data type.""" import dataclasses import io from typing import Any, Mapping, Optional import numpy as np from Bio.PDB import PDBParser from byprot.datamodules.pdb_dataset import residue_constants FeatureDict = Mapping[str, np.ndarray] ModelOutput = Mapping[str, Any] # Is a nested dict. # Complete sequence of chain IDs supported by the PDB format. PDB_CHAIN_IDS = ( "ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789" ) PDB_MAX_CHAINS = len(PDB_CHAIN_IDS) # := 62. @dataclasses.dataclass(frozen=True) class Protein: """Protein structure representation.""" # Cartesian coordinates of atoms in angstroms. The atom types correspond to # residue_constants.atom_types, i.e. the first three are N, CA, CB. atom_positions: np.ndarray # [num_res, num_atom_type, 3] # Amino-acid type for each residue represented as an integer between 0 and # 20, where 20 is 'X'. aatype: np.ndarray # [num_res] # Binary float mask to indicate presence of a particular atom. 1.0 if an atom # is present and 0.0 if not. This should be used for loss masking. atom_mask: np.ndarray # [num_res, num_atom_type] # Residue index as used in PDB. It is not necessarily continuous or 0-indexed. residue_index: np.ndarray # [num_res] # 0-indexed number corresponding to the chain in the protein that this residue # belongs to. chain_index: np.ndarray # [num_res] # B-factors, or temperature factors, of each residue (in sq. angstroms units), # representing the displacement of the residue from its ground truth mean # value. b_factors: np.ndarray # [num_res, num_atom_type] def __post_init__(self): if len(np.unique(self.chain_index)) > PDB_MAX_CHAINS: raise ValueError( f"Cannot build an instance with more than {PDB_MAX_CHAINS} chains " "because these cannot be written to PDB format." ) def from_pdb_string(pdb_str: str, chain_id: Optional[str] = None) -> Protein: """Takes a PDB string and constructs a Protein object. WARNING: All non-standard residue types will be converted into UNK. All non-standard atoms will be ignored. Args: pdb_str: The contents of the pdb file chain_id: If chain_id is specified (e.g. A), then only that chain is parsed. Otherwise all chains are parsed. Returns: A new `Protein` parsed from the pdb contents. """ pdb_fh = io.StringIO(pdb_str) parser = PDBParser(QUIET=True) structure = parser.get_structure("none", pdb_fh) models = list(structure.get_models()) if len(models) != 1: raise ValueError( f"Only single model PDBs are supported. Found {len(models)} models." ) model = models[0] atom_positions = [] aatype = [] atom_mask = [] residue_index = [] chain_ids = [] b_factors = [] for chain in model: if chain_id is not None and chain.id != chain_id: continue for res in chain: if res.id[2] != " ": raise ValueError( f"PDB contains an insertion code at chain {chain.id} and residue " f"index {res.id[1]}. These are not supported." ) res_shortname = residue_constants.restype_3to1.get( res.resname, "X" ) restype_idx = residue_constants.restype_order.get( res_shortname, residue_constants.restype_num ) pos = np.zeros((residue_constants.atom_type_num, 3)) mask = np.zeros((residue_constants.atom_type_num,)) res_b_factors = np.zeros((residue_constants.atom_type_num,)) for atom in res: if atom.name not in residue_constants.atom_types: continue pos[residue_constants.atom_order[atom.name]] = atom.coord mask[residue_constants.atom_order[atom.name]] = 1.0 res_b_factors[ residue_constants.atom_order[atom.name] ] = atom.bfactor if np.sum(mask) < 0.5: # If no known atom positions are reported for the residue then skip it. continue aatype.append(restype_idx) atom_positions.append(pos) atom_mask.append(mask) residue_index.append(res.id[1]) chain_ids.append(chain.id) b_factors.append(res_b_factors) # Chain IDs are usually characters so map these to ints. unique_chain_ids = np.unique(chain_ids) chain_id_mapping = {cid: n for n, cid in enumerate(unique_chain_ids)} chain_index = np.array([chain_id_mapping[cid] for cid in chain_ids]) return Protein( atom_positions=np.array(atom_positions), atom_mask=np.array(atom_mask), aatype=np.array(aatype), residue_index=np.array(residue_index), chain_index=chain_index, b_factors=np.array(b_factors), ) def _chain_end(atom_index, end_resname, chain_name, residue_index) -> str: chain_end = "TER" return ( f"{chain_end:<6}{atom_index:>5} {end_resname:>3} " f"{chain_name:>1}{residue_index:>4}" ) def to_pdb(prot: Protein, model=1, add_end=True) -> str: """Converts a `Protein` instance to a PDB string. Args: prot: The protein to convert to PDB. Returns: PDB string. """ restypes = residue_constants.restypes + ["X"] res_1to3 = lambda r: residue_constants.restype_1to3.get(restypes[r], "UNK") atom_types = residue_constants.atom_types pdb_lines = [] atom_mask = prot.atom_mask aatype = prot.aatype atom_positions = prot.atom_positions residue_index = prot.residue_index.astype(int) chain_index = prot.chain_index.astype(int) b_factors = prot.b_factors if np.any(aatype > residue_constants.restype_num): raise ValueError("Invalid aatypes.") # Construct a mapping from chain integer indices to chain ID strings. chain_ids = {} for i in np.unique(chain_index): # np.unique gives sorted output. if i >= PDB_MAX_CHAINS: raise ValueError( f"The PDB format supports at most {PDB_MAX_CHAINS} chains." ) chain_ids[i] = PDB_CHAIN_IDS[i] pdb_lines.append(f"MODEL {model}") atom_index = 1 last_chain_index = chain_index[0] # Add all atom sites. for i in range(aatype.shape[0]): # Close the previous chain if in a multichain PDB. if last_chain_index != chain_index[i]: pdb_lines.append( _chain_end( atom_index, res_1to3(aatype[i - 1]), chain_ids[chain_index[i - 1]], residue_index[i - 1], ) ) last_chain_index = chain_index[i] atom_index += 1 # Atom index increases at the TER symbol. res_name_3 = res_1to3(aatype[i]) for atom_name, pos, mask, b_factor in zip( atom_types, atom_positions[i], atom_mask[i], b_factors[i] ): if mask < 0.5: continue record_type = "ATOM" name = atom_name if len(atom_name) == 4 else f" {atom_name}" alt_loc = "" insertion_code = "" occupancy = 1.00 element = atom_name[ 0 ] # Protein supports only C, N, O, S, this works. charge = "" # PDB is a columnar format, every space matters here! atom_line = ( f"{record_type:<6}{atom_index:>5} {name:<4}{alt_loc:>1}" f"{res_name_3:>3} {chain_ids[chain_index[i]]:>1}" f"{residue_index[i]:>4}{insertion_code:>1} " f"{pos[0]:>8.3f}{pos[1]:>8.3f}{pos[2]:>8.3f}" f"{occupancy:>6.2f}{b_factor:>6.2f} " f"{element:>2}{charge:>2}" ) pdb_lines.append(atom_line) atom_index += 1 # Close the final chain. pdb_lines.append( _chain_end( atom_index, res_1to3(aatype[-1]), chain_ids[chain_index[-1]], residue_index[-1], ) ) pdb_lines.append("ENDMDL") if add_end: pdb_lines.append("END") # Pad all lines to 80 characters. pdb_lines = [line.ljust(80) for line in pdb_lines] return "\n".join(pdb_lines) + "\n" # Add terminating newline. def ideal_atom_mask(prot: Protein) -> np.ndarray: """Computes an ideal atom mask. `Protein.atom_mask` typically is defined according to the atoms that are reported in the PDB. This function computes a mask according to heavy atoms that should be present in the given sequence of amino acids. Args: prot: `Protein` whose fields are `numpy.ndarray` objects. Returns: An ideal atom mask. """ return residue_constants.STANDARD_ATOM_MASK[prot.aatype] def from_prediction( features: FeatureDict, result: ModelOutput, b_factors: Optional[np.ndarray] = None, remove_leading_feature_dimension: bool = True, ) -> Protein: """Assembles a protein from a prediction. Args: features: Dictionary holding model inputs. result: Dictionary holding model outputs. b_factors: (Optional) B-factors to use for the protein. remove_leading_feature_dimension: Whether to remove the leading dimension of the `features` values. Returns: A protein instance. """ fold_output = result["structure_module"] def _maybe_remove_leading_dim(arr: np.ndarray) -> np.ndarray: return arr[0] if remove_leading_feature_dimension else arr if "asym_id" in features: chain_index = _maybe_remove_leading_dim(features["asym_id"]) else: chain_index = np.zeros_like( _maybe_remove_leading_dim(features["aatype"]) ) if b_factors is None: b_factors = np.zeros_like(fold_output["final_atom_mask"]) return Protein( aatype=_maybe_remove_leading_dim(features["aatype"]), atom_positions=fold_output["final_atom_positions"], atom_mask=fold_output["final_atom_mask"], residue_index=_maybe_remove_leading_dim(features["residue_index"]) + 1, chain_index=chain_index, b_factors=b_factors, ) ================================================ FILE: src/byprot/datamodules/pdb_dataset/residue_constants.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Constants used in AlphaFold.""" import collections import functools import os from typing import List, Mapping, Tuple import numpy as np import tree # Internal import (35fd). # Distance from one CA to next CA [trans configuration: omega = 180]. ca_ca = 3.80209737096 # Format: The list for each AA type contains chi1, chi2, chi3, chi4 in # this order (or a relevant subset from chi1 onwards). ALA and GLY don't have # chi angles so their chi angle lists are empty. chi_angles_atoms = { "ALA": [], # Chi5 in arginine is always 0 +- 5 degrees, so ignore it. "ARG": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "NE"], ["CG", "CD", "NE", "CZ"], ], "ASN": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "ASP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "CYS": [["N", "CA", "CB", "SG"]], "GLN": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLU": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLY": [], "HIS": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "ND1"]], "ILE": [["N", "CA", "CB", "CG1"], ["CA", "CB", "CG1", "CD1"]], "LEU": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "LYS": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "CE"], ["CG", "CD", "CE", "NZ"], ], "MET": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "SD"], ["CB", "CG", "SD", "CE"], ], "PHE": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "PRO": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"]], "SER": [["N", "CA", "CB", "OG"]], "THR": [["N", "CA", "CB", "OG1"]], "TRP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "TYR": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "VAL": [["N", "CA", "CB", "CG1"]], } # If chi angles given in fixed-length array, this matrix determines how to mask # them for each AA type. The order is as per restype_order (see below). chi_angles_mask = [ [0.0, 0.0, 0.0, 0.0], # ALA [1.0, 1.0, 1.0, 1.0], # ARG [1.0, 1.0, 0.0, 0.0], # ASN [1.0, 1.0, 0.0, 0.0], # ASP [1.0, 0.0, 0.0, 0.0], # CYS [1.0, 1.0, 1.0, 0.0], # GLN [1.0, 1.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [1.0, 1.0, 0.0, 0.0], # HIS [1.0, 1.0, 0.0, 0.0], # ILE [1.0, 1.0, 0.0, 0.0], # LEU [1.0, 1.0, 1.0, 1.0], # LYS [1.0, 1.0, 1.0, 0.0], # MET [1.0, 1.0, 0.0, 0.0], # PHE [1.0, 1.0, 0.0, 0.0], # PRO [1.0, 0.0, 0.0, 0.0], # SER [1.0, 0.0, 0.0, 0.0], # THR [1.0, 1.0, 0.0, 0.0], # TRP [1.0, 1.0, 0.0, 0.0], # TYR [1.0, 0.0, 0.0, 0.0], # VAL ] # The following chi angles are pi periodic: they can be rotated by a multiple # of pi without affecting the structure. chi_pi_periodic = [ [0.0, 0.0, 0.0, 0.0], # ALA [0.0, 0.0, 0.0, 0.0], # ARG [0.0, 0.0, 0.0, 0.0], # ASN [0.0, 1.0, 0.0, 0.0], # ASP [0.0, 0.0, 0.0, 0.0], # CYS [0.0, 0.0, 0.0, 0.0], # GLN [0.0, 0.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [0.0, 0.0, 0.0, 0.0], # HIS [0.0, 0.0, 0.0, 0.0], # ILE [0.0, 0.0, 0.0, 0.0], # LEU [0.0, 0.0, 0.0, 0.0], # LYS [0.0, 0.0, 0.0, 0.0], # MET [0.0, 1.0, 0.0, 0.0], # PHE [0.0, 0.0, 0.0, 0.0], # PRO [0.0, 0.0, 0.0, 0.0], # SER [0.0, 0.0, 0.0, 0.0], # THR [0.0, 0.0, 0.0, 0.0], # TRP [0.0, 1.0, 0.0, 0.0], # TYR [0.0, 0.0, 0.0, 0.0], # VAL [0.0, 0.0, 0.0, 0.0], # UNK ] # Atoms positions relative to the 8 rigid groups, defined by the pre-omega, phi, # psi and chi angles: # 0: 'backbone group', # 1: 'pre-omega-group', (empty) # 2: 'phi-group', (currently empty, because it defines only hydrogens) # 3: 'psi-group', # 4,5,6,7: 'chi1,2,3,4-group' # The atom positions are relative to the axis-end-atom of the corresponding # rotation axis. The x-axis is in direction of the rotation axis, and the y-axis # is defined such that the dihedral-angle-definiting atom (the last entry in # chi_angles_atoms above) is in the xy-plane (with a positive y-coordinate). # format: [atomname, group_idx, rel_position] rigid_group_atom_positions = { "ALA": [ ["N", 0, (-0.525, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.529, -0.774, -1.205)], ["O", 3, (0.627, 1.062, 0.000)], ], "ARG": [ ["N", 0, (-0.524, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.524, -0.778, -1.209)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.616, 1.390, -0.000)], ["CD", 5, (0.564, 1.414, 0.000)], ["NE", 6, (0.539, 1.357, -0.000)], ["NH1", 7, (0.206, 2.301, 0.000)], ["NH2", 7, (2.078, 0.978, -0.000)], ["CZ", 7, (0.758, 1.093, -0.000)], ], "ASN": [ ["N", 0, (-0.536, 1.357, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.531, -0.787, -1.200)], ["O", 3, (0.625, 1.062, 0.000)], ["CG", 4, (0.584, 1.399, 0.000)], ["ND2", 5, (0.593, -1.188, 0.001)], ["OD1", 5, (0.633, 1.059, 0.000)], ], "ASP": [ ["N", 0, (-0.525, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, 0.000, -0.000)], ["CB", 0, (-0.526, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.593, 1.398, -0.000)], ["OD1", 5, (0.610, 1.091, 0.000)], ["OD2", 5, (0.592, -1.101, -0.003)], ], "CYS": [ ["N", 0, (-0.522, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, 0.000)], ["CB", 0, (-0.519, -0.773, -1.212)], ["O", 3, (0.625, 1.062, -0.000)], ["SG", 4, (0.728, 1.653, 0.000)], ], "GLN": [ ["N", 0, (-0.526, 1.361, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.525, -0.779, -1.207)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.615, 1.393, 0.000)], ["CD", 5, (0.587, 1.399, -0.000)], ["NE2", 6, (0.593, -1.189, -0.001)], ["OE1", 6, (0.634, 1.060, 0.000)], ], "GLU": [ ["N", 0, (-0.528, 1.361, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.526, -0.781, -1.207)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.615, 1.392, 0.000)], ["CD", 5, (0.600, 1.397, 0.000)], ["OE1", 6, (0.607, 1.095, -0.000)], ["OE2", 6, (0.589, -1.104, -0.001)], ], "GLY": [ ["N", 0, (-0.572, 1.337, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.517, -0.000, -0.000)], ["O", 3, (0.626, 1.062, -0.000)], ], "HIS": [ ["N", 0, (-0.527, 1.360, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.525, -0.778, -1.208)], ["O", 3, (0.625, 1.063, 0.000)], ["CG", 4, (0.600, 1.370, -0.000)], ["CD2", 5, (0.889, -1.021, 0.003)], ["ND1", 5, (0.744, 1.160, -0.000)], ["CE1", 5, (2.030, 0.851, 0.002)], ["NE2", 5, (2.145, -0.466, 0.004)], ], "ILE": [ ["N", 0, (-0.493, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.536, -0.793, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.534, 1.437, -0.000)], ["CG2", 4, (0.540, -0.785, -1.199)], ["CD1", 5, (0.619, 1.391, 0.000)], ], "LEU": [ ["N", 0, (-0.520, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.522, -0.773, -1.214)], ["O", 3, (0.625, 1.063, -0.000)], ["CG", 4, (0.678, 1.371, 0.000)], ["CD1", 5, (0.530, 1.430, -0.000)], ["CD2", 5, (0.535, -0.774, 1.200)], ], "LYS": [ ["N", 0, (-0.526, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.524, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.619, 1.390, 0.000)], ["CD", 5, (0.559, 1.417, 0.000)], ["CE", 6, (0.560, 1.416, 0.000)], ["NZ", 7, (0.554, 1.387, 0.000)], ], "MET": [ ["N", 0, (-0.521, 1.364, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.210)], ["O", 3, (0.625, 1.062, -0.000)], ["CG", 4, (0.613, 1.391, -0.000)], ["SD", 5, (0.703, 1.695, 0.000)], ["CE", 6, (0.320, 1.786, -0.000)], ], "PHE": [ ["N", 0, (-0.518, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, -0.000)], ["CB", 0, (-0.525, -0.776, -1.212)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.607, 1.377, 0.000)], ["CD1", 5, (0.709, 1.195, -0.000)], ["CD2", 5, (0.706, -1.196, 0.000)], ["CE1", 5, (2.102, 1.198, -0.000)], ["CE2", 5, (2.098, -1.201, -0.000)], ["CZ", 5, (2.794, -0.003, -0.001)], ], "PRO": [ ["N", 0, (-0.566, 1.351, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, 0.000)], ["CB", 0, (-0.546, -0.611, -1.293)], ["O", 3, (0.621, 1.066, 0.000)], ["CG", 4, (0.382, 1.445, 0.0)], # ['CD', 5, (0.427, 1.440, 0.0)], ["CD", 5, (0.477, 1.424, 0.0)], # manually made angle 2 degrees larger ], "SER": [ ["N", 0, (-0.529, 1.360, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.518, -0.777, -1.211)], ["O", 3, (0.626, 1.062, -0.000)], ["OG", 4, (0.503, 1.325, 0.000)], ], "THR": [ ["N", 0, (-0.517, 1.364, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, -0.000)], ["CB", 0, (-0.516, -0.793, -1.215)], ["O", 3, (0.626, 1.062, 0.000)], ["CG2", 4, (0.550, -0.718, -1.228)], ["OG1", 4, (0.472, 1.353, 0.000)], ], "TRP": [ ["N", 0, (-0.521, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.212)], ["O", 3, (0.627, 1.062, 0.000)], ["CG", 4, (0.609, 1.370, -0.000)], ["CD1", 5, (0.824, 1.091, 0.000)], ["CD2", 5, (0.854, -1.148, -0.005)], ["CE2", 5, (2.186, -0.678, -0.007)], ["CE3", 5, (0.622, -2.530, -0.007)], ["NE1", 5, (2.140, 0.690, -0.004)], ["CH2", 5, (3.028, -2.890, -0.013)], ["CZ2", 5, (3.283, -1.543, -0.011)], ["CZ3", 5, (1.715, -3.389, -0.011)], ], "TYR": [ ["N", 0, (-0.522, 1.362, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, -0.000, -0.000)], ["CB", 0, (-0.522, -0.776, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG", 4, (0.607, 1.382, -0.000)], ["CD1", 5, (0.716, 1.195, -0.000)], ["CD2", 5, (0.713, -1.194, -0.001)], ["CE1", 5, (2.107, 1.200, -0.002)], ["CE2", 5, (2.104, -1.201, -0.003)], ["OH", 5, (4.168, -0.002, -0.005)], ["CZ", 5, (2.791, -0.001, -0.003)], ], "VAL": [ ["N", 0, (-0.494, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.533, -0.795, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.540, 1.429, -0.000)], ["CG2", 4, (0.533, -0.776, 1.203)], ], } # A list of atoms (excluding hydrogen) for each AA type. PDB naming convention. residue_atoms = { "ALA": ["C", "CA", "CB", "N", "O"], "ARG": ["C", "CA", "CB", "CG", "CD", "CZ", "N", "NE", "O", "NH1", "NH2"], "ASP": ["C", "CA", "CB", "CG", "N", "O", "OD1", "OD2"], "ASN": ["C", "CA", "CB", "CG", "N", "ND2", "O", "OD1"], "CYS": ["C", "CA", "CB", "N", "O", "SG"], "GLU": ["C", "CA", "CB", "CG", "CD", "N", "O", "OE1", "OE2"], "GLN": ["C", "CA", "CB", "CG", "CD", "N", "NE2", "O", "OE1"], "GLY": ["C", "CA", "N", "O"], "HIS": ["C", "CA", "CB", "CG", "CD2", "CE1", "N", "ND1", "NE2", "O"], "ILE": ["C", "CA", "CB", "CG1", "CG2", "CD1", "N", "O"], "LEU": ["C", "CA", "CB", "CG", "CD1", "CD2", "N", "O"], "LYS": ["C", "CA", "CB", "CG", "CD", "CE", "N", "NZ", "O"], "MET": ["C", "CA", "CB", "CG", "CE", "N", "O", "SD"], "PHE": ["C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O"], "PRO": ["C", "CA", "CB", "CG", "CD", "N", "O"], "SER": ["C", "CA", "CB", "N", "O", "OG"], "THR": ["C", "CA", "CB", "CG2", "N", "O", "OG1"], "TRP": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE2", "CE3", "CZ2", "CZ3", "CH2", "N", "NE1", "O", ], "TYR": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O", "OH", ], "VAL": ["C", "CA", "CB", "CG1", "CG2", "N", "O"], } # Naming swaps for ambiguous atom names. # Due to symmetries in the amino acids the naming of atoms is ambiguous in # 4 of the 20 amino acids. # (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities # in LEU, VAL and ARG can be resolved by using the 3d constellations of # the 'ambiguous' atoms and their neighbours) residue_atom_renaming_swaps = { "ASP": {"OD1": "OD2"}, "GLU": {"OE1": "OE2"}, "PHE": {"CD1": "CD2", "CE1": "CE2"}, "TYR": {"CD1": "CD2", "CE1": "CE2"}, } # Van der Waals radii [Angstroem] of the atoms (from Wikipedia) van_der_waals_radius = { "C": 1.7, "N": 1.55, "O": 1.52, "S": 1.8, } Bond = collections.namedtuple( "Bond", ["atom1_name", "atom2_name", "length", "stddev"] ) BondAngle = collections.namedtuple( "BondAngle", ["atom1_name", "atom2_name", "atom3name", "angle_rad", "stddev"], ) @functools.lru_cache(maxsize=None) def load_stereo_chemical_props() -> Tuple[ Mapping[str, List[Bond]], Mapping[str, List[Bond]], Mapping[str, List[BondAngle]], ]: """Load stereo_chemical_props.txt into a nice structure. Load literature values for bond lengths and bond angles and translate bond angles into the length of the opposite edge of the triangle ("residue_virtual_bonds"). Returns: residue_bonds: Dict that maps resname -> list of Bond tuples. residue_virtual_bonds: Dict that maps resname -> list of Bond tuples. residue_bond_angles: Dict that maps resname -> list of BondAngle tuples. """ stereo_chemical_props_path = os.path.join( os.path.dirname(os.path.abspath(__file__)), "stereo_chemical_props.txt" ) with open(stereo_chemical_props_path, "rt") as f: stereo_chemical_props = f.read() lines_iter = iter(stereo_chemical_props.splitlines()) # Load bond lengths. residue_bonds = {} next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, length, stddev = line.split() atom1, atom2 = bond.split("-") if resname not in residue_bonds: residue_bonds[resname] = [] residue_bonds[resname].append( Bond(atom1, atom2, float(length), float(stddev)) ) residue_bonds["UNK"] = [] # Load bond angles. residue_bond_angles = {} next(lines_iter) # Skip empty line. next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, angle_degree, stddev_degree = line.split() atom1, atom2, atom3 = bond.split("-") if resname not in residue_bond_angles: residue_bond_angles[resname] = [] residue_bond_angles[resname].append( BondAngle( atom1, atom2, atom3, float(angle_degree) / 180.0 * np.pi, float(stddev_degree) / 180.0 * np.pi, ) ) residue_bond_angles["UNK"] = [] def make_bond_key(atom1_name, atom2_name): """Unique key to lookup bonds.""" return "-".join(sorted([atom1_name, atom2_name])) # Translate bond angles into distances ("virtual bonds"). residue_virtual_bonds = {} for resname, bond_angles in residue_bond_angles.items(): # Create a fast lookup dict for bond lengths. bond_cache = {} for b in residue_bonds[resname]: bond_cache[make_bond_key(b.atom1_name, b.atom2_name)] = b residue_virtual_bonds[resname] = [] for ba in bond_angles: bond1 = bond_cache[make_bond_key(ba.atom1_name, ba.atom2_name)] bond2 = bond_cache[make_bond_key(ba.atom2_name, ba.atom3name)] # Compute distance between atom1 and atom3 using the law of cosines # c^2 = a^2 + b^2 - 2ab*cos(gamma). gamma = ba.angle_rad length = np.sqrt( bond1.length**2 + bond2.length**2 - 2 * bond1.length * bond2.length * np.cos(gamma) ) # Propagation of uncertainty assuming uncorrelated errors. dl_outer = 0.5 / length dl_dgamma = ( 2 * bond1.length * bond2.length * np.sin(gamma) ) * dl_outer dl_db1 = ( 2 * bond1.length - 2 * bond2.length * np.cos(gamma) ) * dl_outer dl_db2 = ( 2 * bond2.length - 2 * bond1.length * np.cos(gamma) ) * dl_outer stddev = np.sqrt( (dl_dgamma * ba.stddev) ** 2 + (dl_db1 * bond1.stddev) ** 2 + (dl_db2 * bond2.stddev) ** 2 ) residue_virtual_bonds[resname].append( Bond(ba.atom1_name, ba.atom3name, length, stddev) ) return (residue_bonds, residue_virtual_bonds, residue_bond_angles) # Between-residue bond lengths for general bonds (first element) and for Proline # (second element). between_res_bond_length_c_n = [1.329, 1.341] between_res_bond_length_stddev_c_n = [0.014, 0.016] # Between-residue cos_angles. between_res_cos_angles_c_n_ca = [-0.5203, 0.0353] # degrees: 121.352 +- 2.315 between_res_cos_angles_ca_c_n = [-0.4473, 0.0311] # degrees: 116.568 +- 1.995 # This mapping is used when we need to store atom data in a format that requires # fixed atom data size for every residue (e.g. a numpy array). atom_types = [ "N", "CA", "C", "CB", "O", "CG", "CG1", "CG2", "OG", "OG1", "SG", "CD", "CD1", "CD2", "ND1", "ND2", "OD1", "OD2", "SD", "CE", "CE1", "CE2", "CE3", "NE", "NE1", "NE2", "OE1", "OE2", "CH2", "NH1", "NH2", "OH", "CZ", "CZ2", "CZ3", "NZ", "OXT", ] atom_order = {atom_type: i for i, atom_type in enumerate(atom_types)} atom_type_num = len(atom_types) # := 37. # A compact atom encoding with 14 columns # pylint: disable=line-too-long # pylint: disable=bad-whitespace restype_name_to_atom14_names = { "ALA": ["N", "CA", "C", "O", "CB", "", "", "", "", "", "", "", "", ""], "ARG": [ "N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2", "", "", "", ], "ASN": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "ND2", "", "", "", "", "", "", ], "ASP": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "OD2", "", "", "", "", "", "", ], "CYS": ["N", "CA", "C", "O", "CB", "SG", "", "", "", "", "", "", "", ""], "GLN": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "NE2", "", "", "", "", "", ], "GLU": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "OE2", "", "", "", "", "", ], "GLY": ["N", "CA", "C", "O", "", "", "", "", "", "", "", "", "", ""], "HIS": [ "N", "CA", "C", "O", "CB", "CG", "ND1", "CD2", "CE1", "NE2", "", "", "", "", ], "ILE": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "CD1", "", "", "", "", "", "", ], "LEU": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "", "", "", "", "", "", ], "LYS": [ "N", "CA", "C", "O", "CB", "CG", "CD", "CE", "NZ", "", "", "", "", "", ], "MET": [ "N", "CA", "C", "O", "CB", "CG", "SD", "CE", "", "", "", "", "", "", ], "PHE": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "", "", "", ], "PRO": ["N", "CA", "C", "O", "CB", "CG", "CD", "", "", "", "", "", "", ""], "SER": ["N", "CA", "C", "O", "CB", "OG", "", "", "", "", "", "", "", ""], "THR": [ "N", "CA", "C", "O", "CB", "OG1", "CG2", "", "", "", "", "", "", "", ], "TRP": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "NE1", "CE2", "CE3", "CZ2", "CZ3", "CH2", ], "TYR": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH", "", "", ], "VAL": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "", "", "", "", "", "", "", ], "UNK": ["", "", "", "", "", "", "", "", "", "", "", "", "", ""], } # pylint: enable=line-too-long # pylint: enable=bad-whitespace # This is the standard residue order when coding AA type as a number. # Reproduce it by taking 3-letter AA codes and sorting them alphabetically. restypes = [ "A", "R", "N", "D", "C", "Q", "E", "G", "H", "I", "L", "K", "M", "F", "P", "S", "T", "W", "Y", "V", ] restype_order = {restype: i for i, restype in enumerate(restypes)} restype_num = len(restypes) # := 20. unk_restype_index = restype_num # Catch-all index for unknown restypes. restypes_with_x = restypes + ["X"] restype_order_with_x = { restype: i for i, restype in enumerate(restypes_with_x) } def sequence_to_onehot( sequence: str, mapping: Mapping[str, int], map_unknown_to_x: bool = False ) -> np.ndarray: """Maps the given sequence into a one-hot encoded matrix. Args: sequence: An amino acid sequence. mapping: A dictionary mapping amino acids to integers. map_unknown_to_x: If True, any amino acid that is not in the mapping will be mapped to the unknown amino acid 'X'. If the mapping doesn't contain amino acid 'X', an error will be thrown. If False, any amino acid not in the mapping will throw an error. Returns: A numpy array of shape (seq_len, num_unique_aas) with one-hot encoding of the sequence. Raises: ValueError: If the mapping doesn't contain values from 0 to num_unique_aas - 1 without any gaps. """ num_entries = max(mapping.values()) + 1 if sorted(set(mapping.values())) != list(range(num_entries)): raise ValueError( "The mapping must have values from 0 to num_unique_aas-1 " "without any gaps. Got: %s" % sorted(mapping.values()) ) one_hot_arr = np.zeros((len(sequence), num_entries), dtype=int) for aa_index, aa_type in enumerate(sequence): if map_unknown_to_x: if aa_type.isalpha() and aa_type.isupper(): aa_id = mapping.get(aa_type, mapping["X"]) else: raise ValueError( f"Invalid character in the sequence: {aa_type}" ) else: aa_id = mapping[aa_type] one_hot_arr[aa_index, aa_id] = 1 return one_hot_arr restype_1to3 = { "A": "ALA", "R": "ARG", "N": "ASN", "D": "ASP", "C": "CYS", "Q": "GLN", "E": "GLU", "G": "GLY", "H": "HIS", "I": "ILE", "L": "LEU", "K": "LYS", "M": "MET", "F": "PHE", "P": "PRO", "S": "SER", "T": "THR", "W": "TRP", "Y": "TYR", "V": "VAL", } # NB: restype_3to1 differs from Bio.PDB.protein_letters_3to1 by being a simple # 1-to-1 mapping of 3 letter names to one letter names. The latter contains # many more, and less common, three letter names as keys and maps many of these # to the same one letter name (including 'X' and 'U' which we don't use here). restype_3to1 = {v: k for k, v in restype_1to3.items()} # Define a restype name for all unknown residues. unk_restype = "UNK" resnames = [restype_1to3[r] for r in restypes] + [unk_restype] resname_to_idx = {resname: i for i, resname in enumerate(resnames)} # The mapping here uses hhblits convention, so that B is mapped to D, J and O # are mapped to X, U is mapped to C, and Z is mapped to E. Other than that the # remaining 20 amino acids are kept in alphabetical order. # There are 2 non-amino acid codes, X (representing any amino acid) and # "-" representing a missing amino acid in an alignment. The id for these # codes is put at the end (20 and 21) so that they can easily be ignored if # desired. HHBLITS_AA_TO_ID = { "A": 0, "B": 2, "C": 1, "D": 2, "E": 3, "F": 4, "G": 5, "H": 6, "I": 7, "J": 20, "K": 8, "L": 9, "M": 10, "N": 11, "O": 20, "P": 12, "Q": 13, "R": 14, "S": 15, "T": 16, "U": 1, "V": 17, "W": 18, "X": 20, "Y": 19, "Z": 3, "-": 21, } # Partial inversion of HHBLITS_AA_TO_ID. ID_TO_HHBLITS_AA = { 0: "A", 1: "C", # Also U. 2: "D", # Also B. 3: "E", # Also Z. 4: "F", 5: "G", 6: "H", 7: "I", 8: "K", 9: "L", 10: "M", 11: "N", 12: "P", 13: "Q", 14: "R", 15: "S", 16: "T", 17: "V", 18: "W", 19: "Y", 20: "X", # Includes J and O. 21: "-", } restypes_with_x_and_gap = restypes + ["X", "-"] MAP_HHBLITS_AATYPE_TO_OUR_AATYPE = tuple( restypes_with_x_and_gap.index(ID_TO_HHBLITS_AA[i]) for i in range(len(restypes_with_x_and_gap)) ) def _make_standard_atom_mask() -> np.ndarray: """Returns [num_res_types, num_atom_types] mask array.""" # +1 to account for unknown (all 0s). mask = np.zeros([restype_num + 1, atom_type_num], dtype=int) for restype, restype_letter in enumerate(restypes): restype_name = restype_1to3[restype_letter] atom_names = residue_atoms[restype_name] for atom_name in atom_names: atom_type = atom_order[atom_name] mask[restype, atom_type] = 1 return mask STANDARD_ATOM_MASK = _make_standard_atom_mask() # A one hot representation for the first and second atoms defining the axis # of rotation for each chi-angle in each residue. def chi_angle_atom(atom_index: int) -> np.ndarray: """Define chi-angle rigid groups via one-hot representations.""" chi_angles_index = {} one_hots = [] for k, v in chi_angles_atoms.items(): indices = [atom_types.index(s[atom_index]) for s in v] indices.extend([-1] * (4 - len(indices))) chi_angles_index[k] = indices for r in restypes: res3 = restype_1to3[r] one_hot = np.eye(atom_type_num)[chi_angles_index[res3]] one_hots.append(one_hot) one_hots.append(np.zeros([4, atom_type_num])) # Add zeros for residue `X`. one_hot = np.stack(one_hots, axis=0) one_hot = np.transpose(one_hot, [0, 2, 1]) return one_hot chi_atom_1_one_hot = chi_angle_atom(1) chi_atom_2_one_hot = chi_angle_atom(2) # An array like chi_angles_atoms but using indices rather than names. chi_angles_atom_indices = [chi_angles_atoms[restype_1to3[r]] for r in restypes] chi_angles_atom_indices = tree.map_structure( lambda atom_name: atom_order[atom_name], chi_angles_atom_indices ) chi_angles_atom_indices = np.array( [ chi_atoms + ([[0, 0, 0, 0]] * (4 - len(chi_atoms))) for chi_atoms in chi_angles_atom_indices ] ) # Mapping from (res_name, atom_name) pairs to the atom's chi group index # and atom index within that group. chi_groups_for_atom = collections.defaultdict(list) for res_name, chi_angle_atoms_for_res in chi_angles_atoms.items(): for chi_group_i, chi_group in enumerate(chi_angle_atoms_for_res): for atom_i, atom in enumerate(chi_group): chi_groups_for_atom[(res_name, atom)].append((chi_group_i, atom_i)) chi_groups_for_atom = dict(chi_groups_for_atom) def _make_rigid_transformation_4x4(ex, ey, translation): """Create a rigid 4x4 transformation matrix from two axes and transl.""" # Normalize ex. ex_normalized = ex / np.linalg.norm(ex) # make ey perpendicular to ex ey_normalized = ey - np.dot(ey, ex_normalized) * ex_normalized ey_normalized /= np.linalg.norm(ey_normalized) # compute ez as cross product eznorm = np.cross(ex_normalized, ey_normalized) m = np.stack( [ex_normalized, ey_normalized, eznorm, translation] ).transpose() m = np.concatenate([m, [[0.0, 0.0, 0.0, 1.0]]], axis=0) return m # create an array with (restype, atomtype) --> rigid_group_idx # and an array with (restype, atomtype, coord) for the atom positions # and compute affine transformation matrices (4,4) from one rigid group to the # previous group restype_atom37_to_rigid_group = np.zeros([21, 37], dtype=int) restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) restype_atom37_rigid_group_positions = np.zeros([21, 37, 3], dtype=np.float32) restype_atom14_to_rigid_group = np.zeros([21, 14], dtype=int) restype_atom14_mask = np.zeros([21, 14], dtype=np.float32) restype_atom14_rigid_group_positions = np.zeros([21, 14, 3], dtype=np.float32) restype_rigid_group_default_frame = np.zeros([21, 8, 4, 4], dtype=np.float32) def _make_rigid_group_constants(): """Fill the arrays above.""" for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] for atomname, group_idx, atom_position in rigid_group_atom_positions[ resname ]: atomtype = atom_order[atomname] restype_atom37_to_rigid_group[restype, atomtype] = group_idx restype_atom37_mask[restype, atomtype] = 1 restype_atom37_rigid_group_positions[ restype, atomtype, : ] = atom_position atom14idx = restype_name_to_atom14_names[resname].index(atomname) restype_atom14_to_rigid_group[restype, atom14idx] = group_idx restype_atom14_mask[restype, atom14idx] = 1 restype_atom14_rigid_group_positions[ restype, atom14idx, : ] = atom_position for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_positions = { name: np.array(pos) for name, _, pos in rigid_group_atom_positions[resname] } # backbone to backbone is the identity transform restype_rigid_group_default_frame[restype, 0, :, :] = np.eye(4) # pre-omega-frame to backbone (currently dummy identity matrix) restype_rigid_group_default_frame[restype, 1, :, :] = np.eye(4) # phi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["N"] - atom_positions["CA"], ey=np.array([1.0, 0.0, 0.0]), translation=atom_positions["N"], ) restype_rigid_group_default_frame[restype, 2, :, :] = mat # psi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["C"] - atom_positions["CA"], ey=atom_positions["CA"] - atom_positions["N"], translation=atom_positions["C"], ) restype_rigid_group_default_frame[restype, 3, :, :] = mat # chi1-frame to backbone if chi_angles_mask[restype][0]: base_atom_names = chi_angles_atoms[resname][0] base_atom_positions = [ atom_positions[name] for name in base_atom_names ] mat = _make_rigid_transformation_4x4( ex=base_atom_positions[2] - base_atom_positions[1], ey=base_atom_positions[0] - base_atom_positions[1], translation=base_atom_positions[2], ) restype_rigid_group_default_frame[restype, 4, :, :] = mat # chi2-frame to chi1-frame # chi3-frame to chi2-frame # chi4-frame to chi3-frame # luckily all rotation axes for the next frame start at (0,0,0) of the # previous frame for chi_idx in range(1, 4): if chi_angles_mask[restype][chi_idx]: axis_end_atom_name = chi_angles_atoms[resname][chi_idx][2] axis_end_atom_position = atom_positions[axis_end_atom_name] mat = _make_rigid_transformation_4x4( ex=axis_end_atom_position, ey=np.array([-1.0, 0.0, 0.0]), translation=axis_end_atom_position, ) restype_rigid_group_default_frame[ restype, 4 + chi_idx, :, : ] = mat _make_rigid_group_constants() def make_atom14_dists_bounds( overlap_tolerance=1.5, bond_length_tolerance_factor=15 ): """compute upper and lower bounds for bonds to assess violations.""" restype_atom14_bond_lower_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_upper_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_stddev = np.zeros([21, 14, 14], np.float32) residue_bonds, residue_virtual_bonds, _ = load_stereo_chemical_props() for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_list = restype_name_to_atom14_names[resname] # create lower and upper bounds for clashes for atom1_idx, atom1_name in enumerate(atom_list): if not atom1_name: continue atom1_radius = van_der_waals_radius[atom1_name[0]] for atom2_idx, atom2_name in enumerate(atom_list): if (not atom2_name) or atom1_idx == atom2_idx: continue atom2_radius = van_der_waals_radius[atom2_name[0]] lower = atom1_radius + atom2_radius - overlap_tolerance upper = 1e10 restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper # overwrite lower and upper bounds for bonds and angles for b in residue_bonds[resname] + residue_virtual_bonds[resname]: atom1_idx = atom_list.index(b.atom1_name) atom2_idx = atom_list.index(b.atom2_name) lower = b.length - bond_length_tolerance_factor * b.stddev upper = b.length + bond_length_tolerance_factor * b.stddev restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper restype_atom14_bond_stddev[ restype, atom1_idx, atom2_idx ] = b.stddev restype_atom14_bond_stddev[ restype, atom2_idx, atom1_idx ] = b.stddev return { "lower_bound": restype_atom14_bond_lower_bound, # shape (21,14,14) "upper_bound": restype_atom14_bond_upper_bound, # shape (21,14,14) "stddev": restype_atom14_bond_stddev, # shape (21,14,14) } ================================================ FILE: src/byprot/datamodules/pdb_dataset/utils.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/jasonkyuyim/multiflow/blob/main/LICENSE # # This modified file is released under the same license. import collections import dataclasses import os import pickle import string from typing import Any, Dict, List import mdtraj as md import numpy as np import torch from Bio import PDB from Bio.PDB import PDBIO, MMCIFParser from Bio.PDB.Chain import Chain from openfold.utils import rigid_utils as ru from torch_scatter import scatter, scatter_add from byprot.datamodules.pdb_dataset import protein, residue_constants Rigid = ru.Rigid Protein = protein.Protein # Global map from chain characters to integers. ALPHANUMERIC = string.ascii_letters + string.digits + " " CHAIN_TO_INT = {chain_char: i for i, chain_char in enumerate(ALPHANUMERIC)} INT_TO_CHAIN = {i: chain_char for i, chain_char in enumerate(ALPHANUMERIC)} NM_TO_ANG_SCALE = 10.0 ANG_TO_NM_SCALE = 1 / NM_TO_ANG_SCALE CHAIN_FEATS = [ "atom_positions", "aatype", "atom_mask", "residue_index", "b_factors", ] NUM_TOKENS = residue_constants.restype_num MASK_TOKEN_INDEX = residue_constants.restypes_with_x.index("X") CA_IDX = residue_constants.atom_order["CA"] to_numpy = lambda x: x.detach().cpu().numpy() aatype_to_seq = lambda aatype: "".join( [residue_constants.restypes_with_x[x] for x in aatype] ) seq_to_aatype = lambda seq: [ residue_constants.restypes_with_x.index(x) for x in seq ] CHAIN_FEATS = [ "atom_positions", "aatype", "atom_mask", "residue_index", "b_factors", ] UNPADDED_FEATS = [ "t", "rot_score_scaling", "trans_score_scaling", "t_seq", "t_struct", "csv_idx", "seq_length", "pdb_name", "pdb_path", ] RIGID_FEATS = [ "rigids_0", "rigids_t", # 'rigidgroups_gt_frames', 'backbone_rigid_tensor' ] PAIR_FEATS = ["rel_rots"] def pad_feats(raw_feats, max_len, use_torch=False): padded_feats = { feat_name: pad(feat, max_len, use_torch=use_torch) for feat_name, feat in raw_feats.items() if feat_name not in UNPADDED_FEATS + RIGID_FEATS and hasattr(feat, "shape") } for feat_name in PAIR_FEATS: if feat_name in padded_feats: padded_feats[feat_name] = pad( padded_feats[feat_name], max_len, pad_idx=1 ) for feat_name in RIGID_FEATS: if feat_name in raw_feats: padded_feats[feat_name] = pad_rigid(raw_feats[feat_name], max_len) for feat_name in raw_feats: if feat_name in UNPADDED_FEATS or isinstance( raw_feats[feat_name], str ): padded_feats[feat_name] = raw_feats[feat_name] return padded_feats def pad_rigid(rigid: torch.tensor, max_len: int): num_rigids = rigid.shape[0] pad_amt = max_len - num_rigids pad_rigid = ru.Rigid.identity( (pad_amt,), dtype=rigid.dtype, device=rigid.device, requires_grad=False ) return torch.cat([rigid, pad_rigid.to_tensor_7()], dim=0) def pad(x: np.ndarray, max_len: int, dim=0, use_torch=False, reverse=False): """Right pads dimension of numpy array. Args: x: numpy like array to pad. max_len: desired length after padding pad_idx: dimension to pad. use_torch: use torch padding method instead of numpy. Returns: x with its pad_idx dimension padded to max_len """ # Pad only the residue dimension. seq_len = x.shape[dim] pad_amt = max_len - seq_len pad_widths = [(0, 0)] * x.ndim if pad_amt < 0: raise ValueError(f"Invalid pad amount {pad_amt}") if reverse: pad_widths[dim] = (pad_amt, 0) else: pad_widths[dim] = (0, pad_amt) if use_torch: pad_widths = reversed(pad_widths) pad_widths = tuple( [item for pad_width in pad_widths for item in pad_width] ) # print(pad_widths) return torch.nn.functional.pad(x, pad_widths) return np.pad(x, pad_widths) class DataError(Exception): """Data exception.""" pass class FileExistsError(DataError): """Raised when file already exists.""" pass class MmcifParsingError(DataError): """Raised when mmcif parsing fails.""" pass class ResolutionError(DataError): """Raised when resolution isn't acceptable.""" pass class LengthError(DataError): """Raised when length isn't acceptable.""" pass class CPU_Unpickler(pickle.Unpickler): """Pytorch pickle loading workaround. https://github.com/pytorch/pytorch/issues/16797 """ def find_class(self, module, name): if module == "torch.storage" and name == "_load_from_bytes": return lambda b: torch.load(io.BytesIO(b), map_location="cpu") else: return super().find_class(module, name) def create_rigid(rots, trans): rots = ru.Rotation(rot_mats=rots) return Rigid(rots=rots, trans=trans) def batch_align_structures(pos_1, pos_2, mask=None): if pos_1.shape != pos_2.shape: raise ValueError("pos_1 and pos_2 must have the same shape.") if pos_1.ndim != 3: raise ValueError(f"Expected inputs to have shape [B, N, 3]") num_batch = pos_1.shape[0] device = pos_1.device batch_indices = ( torch.ones(*pos_1.shape[:2], device=device, dtype=torch.int64) * torch.arange(num_batch, device=device)[:, None] ) flat_pos_1 = pos_1.reshape(-1, 3) flat_pos_2 = pos_2.reshape(-1, 3) flat_batch_indices = batch_indices.reshape(-1) if mask is None: aligned_pos_1, aligned_pos_2, align_rots = align_structures( flat_pos_1, flat_batch_indices, flat_pos_2 ) aligned_pos_1 = aligned_pos_1.reshape(num_batch, -1, 3) aligned_pos_2 = aligned_pos_2.reshape(num_batch, -1, 3) return aligned_pos_1, aligned_pos_2, align_rots flat_mask = mask.reshape(-1).bool() _, _, align_rots = align_structures( flat_pos_1[flat_mask], flat_batch_indices[flat_mask], flat_pos_2[flat_mask], ) aligned_pos_1 = torch.bmm(pos_1, align_rots) return aligned_pos_1, pos_2, align_rots def adjust_oxygen_pos( atom_37: torch.Tensor, pos_is_known=None ) -> torch.Tensor: """Imputes the position of the oxygen atom on the backbone by using adjacent frame information. Specifically, we say that the oxygen atom is in the plane created by the Calpha and C from the current frame and the nitrogen of the next frame. The oxygen is then placed c_o_bond_length Angstrom away from the C in the current frame in the direction away from the Ca-C-N triangle. For cases where the next frame is not available, for example we are at the C-terminus or the next frame is not available in the data then we place the oxygen in the same plane as the N-Ca-C of the current frame and pointing in the same direction as the average of the Ca->C and Ca->N vectors. Args: atom_37 (torch.Tensor): (N, 37, 3) tensor of positions of the backbone atoms in atom_37 ordering which is ['N', 'CA', 'C', 'CB', 'O', ...] pos_is_known (torch.Tensor): (N,) mask for known residues. """ N = atom_37.shape[0] assert atom_37.shape == (N, 37, 3) # Get vectors to Carbonly from Carbon alpha and N of next residue. (N-1, 3) # Note that the (N,) ordering is from N-terminal to C-terminal. # Calpha to carbonyl both in the current frame. calpha_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[:-1, 1, :] ) / ( torch.norm( atom_37[:-1, 2, :] - atom_37[:-1, 1, :], keepdim=True, dim=1 ) + 1e-7 ) # For masked positions, they are all 0 and so we add 1e-7 to avoid division by 0. # The positions are in Angstroms and so are on the order ~1 so 1e-7 is an insignificant change. # Nitrogen of the next frame to carbonyl of the current frame. nitrogen_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[1:, 0, :] ) / ( torch.norm(atom_37[:-1, 2, :] - atom_37[1:, 0, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen: torch.Tensor = ( calpha_to_carbonyl + nitrogen_to_carbonyl ) # (N-1, 3) carbonyl_to_oxygen = carbonyl_to_oxygen / ( torch.norm(carbonyl_to_oxygen, dim=1, keepdim=True) + 1e-7 ) atom_37[:-1, 4, :] = atom_37[:-1, 2, :] + carbonyl_to_oxygen * 1.23 # Now we deal with frames for which there is no next frame available. # Calpha to carbonyl both in the current frame. (N, 3) calpha_to_carbonyl_term: torch.Tensor = ( atom_37[:, 2, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 2, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) # Calpha to nitrogen both in the current frame. (N, 3) calpha_to_nitrogen_term: torch.Tensor = ( atom_37[:, 0, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 0, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen_term: torch.Tensor = ( calpha_to_carbonyl_term + calpha_to_nitrogen_term ) # (N, 3) carbonyl_to_oxygen_term = carbonyl_to_oxygen_term / ( torch.norm(carbonyl_to_oxygen_term, dim=1, keepdim=True) + 1e-7 ) # Create a mask that is 1 when the next residue is not available either # due to this frame being the C-terminus or the next residue is not # known due to pos_is_known being false. if pos_is_known is None: pos_is_known = torch.ones( (atom_37.shape[0],), dtype=torch.int64, device=atom_37.device ) next_res_gone: torch.Tensor = ~pos_is_known.bool() # (N,) next_res_gone = torch.cat( [next_res_gone, torch.ones((1,), device=pos_is_known.device).bool()], dim=0, ) # (N+1, ) next_res_gone = next_res_gone[1:] # (N,) atom_37[next_res_gone, 4, :] = ( atom_37[next_res_gone, 2, :] + carbonyl_to_oxygen_term[next_res_gone, :] * 1.23 ) return atom_37 def write_pkl( save_path: str, pkl_data: Any, create_dir: bool = False, use_torch=False ): """Serialize data into a pickle file.""" if create_dir: os.makedirs(os.path.dirname(save_path), exist_ok=True) if use_torch: torch.save( pkl_data, save_path, pickle_protocol=pickle.HIGHEST_PROTOCOL ) else: with open(save_path, "wb") as handle: pickle.dump(pkl_data, handle, protocol=pickle.HIGHEST_PROTOCOL) def read_pkl(read_path: str, verbose=True, use_torch=False, map_location=None): """Read data from a pickle file.""" try: if use_torch: return torch.load(read_path, map_location=map_location) else: with open(read_path, "rb") as handle: return pickle.load(handle) except Exception as e: try: with open(read_path, "rb") as handle: return CPU_Unpickler(handle).load() except Exception as e2: if verbose: print( f"Failed to read {read_path}. First error: {e}\n Second error: {e2}" ) raise (e) def chain_str_to_int(chain_str: str): chain_int = 0 if len(chain_str) == 1: return CHAIN_TO_INT[chain_str] for i, chain_char in enumerate(chain_str): chain_int += CHAIN_TO_INT[chain_char] + (i * len(ALPHANUMERIC)) return chain_int def parse_chain_feats(chain_feats, scale_factor=1.0): nan_atom_mask = np.isnan(chain_feats["atom_positions"].sum(-1)) chain_feats["atom_mask"][nan_atom_mask] = 0 chain_feats["atom_positions"] = np.nan_to_num( chain_feats["atom_positions"], nan=0.0 ) ca_idx = residue_constants.atom_order["CA"] chain_feats["bb_mask"] = chain_feats["atom_mask"][:, ca_idx] bb_pos = chain_feats["atom_positions"][:, ca_idx] bb_center = np.sum(bb_pos, axis=0) / ( np.sum(chain_feats["bb_mask"]) + 1e-5 ) centered_pos = chain_feats["atom_positions"] - bb_center[None, None, :] scaled_pos = centered_pos / scale_factor chain_feats["atom_positions"] = ( scaled_pos * chain_feats["atom_mask"][..., None] ) chain_feats["bb_positions"] = chain_feats["atom_positions"][:, ca_idx] return chain_feats def concat_np_features( np_dicts: List[Dict[str, np.ndarray]], add_batch_dim: bool ): """Performs a nested concatenation of feature dicts. Args: np_dicts: list of dicts with the same structure. Each dict must have the same keys and numpy arrays as the values. add_batch_dim: whether to add a batch dimension to each feature. Returns: A single dict with all the features concatenated. """ combined_dict = collections.defaultdict(list) for chain_dict in np_dicts: for feat_name, feat_val in chain_dict.items(): if add_batch_dim: feat_val = feat_val[None] combined_dict[feat_name].append(feat_val) # Concatenate each feature for feat_name, feat_vals in combined_dict.items(): combined_dict[feat_name] = np.concatenate(feat_vals, axis=0) return combined_dict def center_zero( pos: torch.Tensor, batch_indexes: torch.LongTensor ) -> torch.Tensor: """Move the molecule center to zero for sparse position tensors. Args: pos: [N, 3] batch positions of atoms in the molecule in sparse batch format. batch_indexes: [N] batch index for each atom in sparse batch format. Returns: pos: [N, 3] zero-centered batch positions of atoms in the molecule in sparse batch format. """ assert ( len(pos.shape) == 2 and pos.shape[-1] == 3 ), "pos must have shape [N, 3]" means = scatter(pos, batch_indexes, dim=0, reduce="mean") return pos - means[batch_indexes] @torch.no_grad() def align_structures( batch_positions: torch.Tensor, batch_indices: torch.Tensor, reference_positions: torch.Tensor, broadcast_reference: bool = False, ): """Align structures in a ChemGraph batch to a reference, e.g. for RMSD computation. This uses the sparse formulation of pytorch geometric. If the ChemGraph is composed of a single system, then the reference can be given as a single structure and broadcasted. Returns the structure coordinates shifted to the geometric center and the batch structures rotated to match the reference structures. Uses the Kabsch algorithm (see e.g. [kabsch_align1]_). No permutation of atoms is carried out. Args: batch_positions (Tensor): Batch of structures (e.g. from ChemGraph) which should be aligned to a reference. batch_indices (Tensor): Index tensor mapping each node / atom in batch to the respective system (e.g. batch attribute of ChemGraph batch). reference_positions (Tensor): Reference structure. Can either be a batch of structures or a single structure. In the second case, broadcasting is possible if the input batch is composed exclusively of this structure. broadcast_reference (bool, optional): If reference batch contains only a single structure, broadcast this structure to match the ChemGraph batch. Defaults to False. Returns: Tuple[torch.Tensor, torch.Tensor]: Tensors containing the centered positions of batch structures rotated into the reference and the centered reference batch. References ---------- .. [kabsch_align1] Lawrence, Bernal, Witzgall: A purely algebraic justification of the Kabsch-Umeyama algorithm. Journal of research of the National Institute of Standards and Technology, 124, 1. 2019. """ # Minimize || Q @ R.T - P ||, which is the same as || Q - P @ R || # batch_positions -> P [BN x 3] # reference_positions -> Q [B / BN x 3] if batch_positions.shape[0] != reference_positions.shape[0]: if broadcast_reference: # Get number of systems in batch and broadcast reference structure. # This assumes, all systems in the current batch correspond to the reference system. # Typically always the case during evaluation. num_molecules = int(torch.max(batch_indices) + 1) reference_positions = reference_positions.repeat(num_molecules, 1) else: raise ValueError("Mismatch in batch dimensions.") # Center structures at origin (takes care of translation alignment) batch_positions = center_zero(batch_positions, batch_indices) reference_positions = center_zero(reference_positions, batch_indices) # Compute covariance matrix for optimal rotation (Q.T @ P) -> [B x 3 x 3]. cov = scatter_add( batch_positions[:, None, :] * reference_positions[:, :, None], batch_indices, dim=0, ) # Perform singular value decomposition. (all [B x 3 x 3]) u, _, v_t = torch.linalg.svd(cov) # Convenience transposes. u_t = u.transpose(1, 2) v = v_t.transpose(1, 2) # Compute rotation matrix correction for ensuring right-handed coordinate system # For comparison with other sources: det(AB) = det(A)*det(B) and det(A) = det(A.T) sign_correction = torch.sign(torch.linalg.det(torch.bmm(v, u_t))) # Correct transpose of U: diag(1, 1, sign_correction) @ U.T u_t[:, 2, :] = u_t[:, 2, :] * sign_correction[:, None] # Compute optimal rotation matrix (R = V @ diag(1, 1, sign_correction) @ U.T). rotation_matrices = torch.bmm(v, u_t) # Rotate batch positions P to optimal alignment with Q (P @ R) batch_positions_rotated = torch.bmm( batch_positions[:, None, :], rotation_matrices[batch_indices], ).squeeze(1) return batch_positions_rotated, reference_positions, rotation_matrices def process_mmcif(mmcif_path: str, max_resolution: int, max_len: int): """Processes MMCIF files into usable, smaller pickles. Args: mmcif_path: Path to mmcif file to read. max_resolution: Max resolution to allow. max_len: Max length to allow. write_dir: Directory to write pickles to. Returns: Saves processed protein to pickle and returns metadata. Raises: DataError if a known filtering rule is hit. All other errors are unexpected and are propogated. """ metadata = {} mmcif_name = os.path.basename(mmcif_path).replace(".cif", "") metadata["pdb_name"] = mmcif_name mmcif_subdir = os.path.join(write_dir, mmcif_name[1:3].lower()) if not os.path.isdir(mmcif_subdir): os.mkdir(mmcif_subdir) processed_mmcif_path = os.path.join(mmcif_subdir, f"{mmcif_name}.pkl") processed_mmcif_path = os.path.abspath(processed_mmcif_path) metadata["processed_path"] = processed_mmcif_path with open(mmcif_path, "r") as f: parsed_mmcif = mmcif_parsing.parse( file_id=mmcif_name, mmcif_string=f.read() ) metadata["raw_path"] = mmcif_path if parsed_mmcif.errors: raise MmcifParsingError(f"Encountered errors {parsed_mmcif.errors}") parsed_mmcif = parsed_mmcif.mmcif_object raw_mmcif = parsed_mmcif.raw_string if "_pdbx_struct_assembly.oligomeric_count" in raw_mmcif: raw_olig_count = raw_mmcif["_pdbx_struct_assembly.oligomeric_count"] oligomeric_count = ",".join(raw_olig_count).lower() else: oligomeric_count = None if "_pdbx_struct_assembly.oligomeric_details" in raw_mmcif: raw_olig_detail = raw_mmcif["_pdbx_struct_assembly.oligomeric_details"] oligomeric_detail = ",".join(raw_olig_detail).lower() else: oligomeric_detail = None metadata["oligomeric_count"] = oligomeric_count metadata["oligomeric_detail"] = oligomeric_detail # Parse mmcif header mmcif_header = parsed_mmcif.header mmcif_resolution = mmcif_header["resolution"] metadata["resolution"] = mmcif_resolution metadata["structure_method"] = mmcif_header["structure_method"] if mmcif_resolution >= max_resolution: raise ResolutionError(f"Too high resolution {mmcif_resolution}") if mmcif_resolution == 0.0: raise ResolutionError(f"Invalid resolution {mmcif_resolution}") # Extract all chains struct_chains = { chain.id.upper(): chain for chain in parsed_mmcif.structure.get_chains() } metadata["num_chains"] = len(struct_chains) # Extract features struct_feats = [] all_seqs = set() for chain_id, chain in struct_chains.items(): # Convert chain id into int chain_id = chain_str_to_int(chain_id) chain_prot = process_chain(chain, chain_id) chain_dict = dataclasses.asdict(chain_prot) chain_dict = parse_chain_feats(chain_dict) all_seqs.add(tuple(chain_dict["aatype"])) struct_feats.append(chain_dict) if len(all_seqs) == 1: metadata["quaternary_category"] = "homomer" else: metadata["quaternary_category"] = "heteromer" complex_feats = concat_np_features(struct_feats, False) # Process geometry features complex_aatype = complex_feats["aatype"] modeled_idx = np.where(complex_aatype != 20)[0] if np.sum(complex_aatype != 20) == 0: raise LengthError("No modeled residues") min_modeled_idx = np.min(modeled_idx) max_modeled_idx = np.max(modeled_idx) metadata["seq_len"] = len(complex_aatype) metadata["modeled_seq_len"] = max_modeled_idx - min_modeled_idx + 1 complex_feats["modeled_idx"] = modeled_idx if complex_aatype.shape[0] > max_len: raise LengthError(f"Too long {complex_aatype.shape[0]}") chain_dict["ss"] = pdb_ss[0] metadata["coil_percent"] = ( np.sum(pdb_ss == "C") / metadata["modeled_seq_len"] ) metadata["helix_percent"] = ( np.sum(pdb_ss == "H") / metadata["modeled_seq_len"] ) metadata["strand_percent"] = ( np.sum(pdb_ss == "E") / metadata["modeled_seq_len"] ) # Radius of gyration metadata["radius_gyration"] = pdb_dg[0] # Return metadata return metadata def process_pdb_file(file_path: str): """Processes protein file into usable, smaller pickles. Args: file_path: Path to file to read. write_dir: Directory to write pickles to. Returns: Saves processed protein to pickle and returns metadata. Raises: DataError if a known filtering rule is hit. All other errors are unexpected and are propogated. """ metadata = {} pdb_name = os.path.basename(file_path).replace(".pdb", "") metadata["pdb_name"] = pdb_name metadata["raw_path"] = file_path parser = PDB.PDBParser(QUIET=True) structure = parser.get_structure(pdb_name, file_path) # Extract all chains struct_chains = { chain.id.upper(): chain for chain in structure.get_chains() } metadata["num_chains"] = len(struct_chains) # Extract features struct_feats = [] all_seqs = set() for chain_id, chain in struct_chains.items(): # Convert chain id into int chain_id = chain_str_to_int(chain_id) chain_prot = process_chain(chain, chain_id) chain_dict = dataclasses.asdict(chain_prot) chain_dict = parse_chain_feats(chain_dict) all_seqs.add(tuple(chain_dict["aatype"])) struct_feats.append(chain_dict) if len(all_seqs) == 1: metadata["quaternary_category"] = "homomer" else: metadata["quaternary_category"] = "heteromer" complex_feats = concat_np_features(struct_feats, False) # Process geometry features complex_aatype = complex_feats["aatype"] metadata["seq_len"] = len(complex_aatype) modeled_idx = np.where(complex_aatype != 20)[0] if np.sum(complex_aatype != 20) == 0: raise LengthError("No modeled residues") min_modeled_idx = np.min(modeled_idx) max_modeled_idx = np.max(modeled_idx) metadata["modeled_seq_len"] = max_modeled_idx - min_modeled_idx + 1 complex_feats["modeled_idx"] = modeled_idx try: # MDtraj traj = md.load(file_path) # SS calculation pdb_ss = md.compute_dssp(traj, simplified=True) # DG calculation pdb_dg = md.compute_rg(traj) except Exception as e: raise DataError(f"Mdtraj failed with error {e}") chain_dict["ss"] = pdb_ss[0] metadata["coil_percent"] = ( np.sum(pdb_ss == "C") / metadata["modeled_seq_len"] ) metadata["helix_percent"] = ( np.sum(pdb_ss == "H") / metadata["modeled_seq_len"] ) metadata["strand_percent"] = ( np.sum(pdb_ss == "E") / metadata["modeled_seq_len"] ) # Radius of gyration metadata["radius_gyration"] = pdb_dg[0] # Return metadata return complex_feats, metadata def parse_pdb_feats( pdb_name: str, pdb_path: str, scale_factor=1.0, # TODO: Make the default behaviour read all chains. chain_id="A", ): """ Args: pdb_name: name of PDB to parse. pdb_path: path to PDB file to read. scale_factor: factor to scale atom positions. mean_center: whether to mean center atom positions. Returns: Dict with CHAIN_FEATS features extracted from PDB with specified preprocessing. """ parser = PDB.PDBParser(QUIET=True) structure = parser.get_structure(pdb_name, pdb_path) struct_chains = {chain.id: chain for chain in structure.get_chains()} def _process_chain_id(x): chain_prot = process_chain(struct_chains[x], x) chain_dict = dataclasses.asdict(chain_prot) # Process features feat_dict = {x: chain_dict[x] for x in CHAIN_FEATS} return parse_chain_feats(feat_dict, scale_factor=scale_factor) if isinstance(chain_id, str): return _process_chain_id(chain_id) elif isinstance(chain_id, list): return {x: _process_chain_id(x) for x in chain_id} elif chain_id is None: return {x: _process_chain_id(x) for x in struct_chains} else: raise ValueError(f"Unrecognized chain list {chain_id}") def process_chain(chain: Chain, chain_id: str) -> Protein: """Convert a PDB chain object into a AlphaFold Protein instance. Forked from alphafold.common.protein.from_pdb_string WARNING: All non-standard residue types will be converted into UNK. All non-standard atoms will be ignored. Took out lines 94-97 which don't allow insertions in the PDB. Sabdab uses insertions for the chothia numbering so we need to allow them. Took out lines 110-112 since that would mess up CDR numbering. Args: chain: Instance of Biopython's chain class. Returns: Protein object with protein features. """ atom_positions = [] aatype = [] atom_mask = [] residue_index = [] b_factors = [] chain_ids = [] for res in chain: res_shortname = residue_constants.restype_3to1.get(res.resname, "X") restype_idx = residue_constants.restype_order.get( res_shortname, residue_constants.restype_num ) pos = np.zeros((residue_constants.atom_type_num, 3)) mask = np.zeros((residue_constants.atom_type_num,)) res_b_factors = np.zeros((residue_constants.atom_type_num,)) for atom in res: if atom.name not in residue_constants.atom_types: continue pos[residue_constants.atom_order[atom.name]] = atom.coord mask[residue_constants.atom_order[atom.name]] = 1.0 res_b_factors[ residue_constants.atom_order[atom.name] ] = atom.bfactor aatype.append(restype_idx) atom_positions.append(pos) atom_mask.append(mask) residue_index.append(res.id[1]) b_factors.append(res_b_factors) chain_ids.append(chain_id) return Protein( atom_positions=np.array(atom_positions), atom_mask=np.array(atom_mask), aatype=np.array(aatype), residue_index=np.array(residue_index), chain_index=np.array(chain_ids), b_factors=np.array(b_factors), ) ================================================ FILE: src/byprot/datamodules/tokenized_protein_datamodule.py ================================================ import os from functools import partial from typing import ( Any, Callable, Dict, List, Optional, Sequence, Tuple, TypeVar, ) import numpy as np import pandas as pd import torch from datasets import Dataset from pytorch_lightning import LightningDataModule from byprot import utils from byprot.datamodules import register_datamodule from byprot.datamodules.dataset.tokenized_protein import ( DPLM2Tokenizer, Subset, TokenizedProteinDataset, setup_dataloader, ) log = utils.get_logger(__name__) @register_datamodule("tokenized_protein") class TokenizedProteinDataModule(LightningDataModule): def __init__( self, data_dir: str = "data/tape", max_tokens: int = 6000, max_len: int = 1024, num_workers: int = 0, length_crop: bool = False, cluster_training: bool = False, min_crop_length: int = 60, csv_file: str = "/root", struct_vocab_size: int = 8192, vocab_file: str = "", num_seqs: int = 40, # used for testing ): super().__init__() # this line allows to access init params with 'self.hparams' attribute self.save_hyperparameters(logger=False) self.train_dl = None def setup(self, stage: Optional[str] = None, split: Optional[str] = None): """Load data. Set variables: `self.data_train`, `self.data_val`, `self.data_test`. This method is called by lightning when doing `trainer.fit()` and `trainer.test()`, so be careful not to execute the random split twice! The `stage` can be used to differentiate whether it's called before trainer.fit()` or `trainer.test()`. """ # load datasets only if they're not loaded already if stage == "fit": self.train_dataset = TokenizedProteinDataset( data_dir=self.hparams.data_dir, csv_file=self.hparams.csv_file, vocab_file=self.hparams.vocab_file, split="train", max_len=self.hparams.max_len, struct_vocab_size=self.hparams.struct_vocab_size, ) self.valid_dataset = TokenizedProteinDataset( data_dir=self.hparams.data_dir, csv_file=self.hparams.csv_file, vocab_file=self.hparams.vocab_file, split="valid", max_len=self.hparams.max_len, struct_vocab_size=self.hparams.struct_vocab_size, ) self.tokenizer = DPLM2Tokenizer.from_pretrained( self.hparams.vocab_file ) elif stage == "test" or stage == "predict": self.test_dataset = TokenizedProteinDataset( data_dir=self.hparams.data_dir, vocab_file=self.hparams.vocab_file, split="test" if split is None else split, max_len=self.hparams.max_len, ) else: raise ValueError(f"Invalid stage: {stage}.") self.stage = stage def train_dataloader(self): if self.train_dl is not None: self.epoch = self.train_dl.batch_sampler.sampler.epoch + 1 else: self.epoch = 0 self.train_dataset = TokenizedProteinDataset( data_dir=self.hparams.data_dir, csv_file=self.hparams.csv_file, vocab_file=self.hparams.vocab_file, struct_vocab_size=self.hparams.struct_vocab_size, split="train", max_len=self.hparams.max_len, ) dataset_pandas = self.train_dataset.data.to_pandas() if self.hparams.length_crop: dataset_pandas = length_cropping(dataset_pandas, self.epoch) if self.hparams.cluster_training: dataset_pandas = sample_cluster(dataset_pandas, self.epoch) self.train_dataset.data = Dataset.from_pandas(dataset_pandas) self.train_dl = setup_dataloader( self.train_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, max_batch_size=( 1 if self.stage == "test" or self.stage == "predict" else 800 ), tokenizer=self.tokenizer, epoch=self.epoch, ) return self.train_dl def val_dataloader(self): return setup_dataloader( self.valid_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, tokenizer=self.tokenizer, ) def test_dataloader(self): return setup_dataloader( self.test_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, bucket_size=self.hparams.num_seqs, tokenizer=self.tokenizer, ) def length_cropping(dataset_pandas, epoch, min_crop_length=60): np.random.seed(epoch) dataset_pandas["length"] = dataset_pandas["length"].apply( lambda l: ( l if np.random.rand() > 0.5 else ( np.random.randint(min_crop_length, l) if l > min_crop_length else l ) ) ) return dataset_pandas def sample_cluster(dataset_pandas, epoch): sampled_cluster = ( dataset_pandas.groupby("cluster") .sample(1, random_state=epoch) .sort_index() ) sampled_cluster = sampled_cluster.drop(columns="__index_level_0__") return sampled_cluster ================================================ FILE: src/byprot/datamodules/uniref50.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from functools import partial from typing import ( Any, Callable, Dict, List, Optional, Sequence, Tuple, TypeVar, ) import numpy as np import torch from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, Dataset from byprot import utils from byprot.datamodules import register_datamodule from byprot.datamodules.dataset.uniref import ( Subset, UniRefDataset, setup_dataloader, ) log = utils.get_logger(__name__) @register_datamodule("uniref50") class UniRefDataModule(LightningDataModule): def __init__( self, data_dir: str = "data/tape", max_tokens: int = 6000, max_len: int = 2048, collater: str = "esm", sort: bool = False, num_workers: int = 0, pin_memory: bool = False, mini_run: bool = False, num_seqs: int = 40, # used for testing ): super().__init__() # this line allows to access init params with 'self.hparams' attribute self.save_hyperparameters(logger=False) self.alphabet = None self.train_data: Optional[Dataset] = None self.valid_data: Optional[Dataset] = None self.test_data: Optional[Dataset] = None def setup(self, stage: Optional[str] = None): """Load data. Set variables: `self.data_train`, `self.data_val`, `self.data_test`. This method is called by lightning when doing `trainer.fit()` and `trainer.test()`, so be careful not to execute the random split twice! The `stage` can be used to differentiate whether it's called before trainer.fit()` or `trainer.test()`. """ # load datasets only if they're not loaded already if stage == "fit": self.train_dataset = UniRefDataset( data_dir=self.hparams.data_dir, split="train", max_len=self.hparams.max_len, ) self.valid_dataset = UniRefDataset( data_dir=self.hparams.data_dir, split="valid", max_len=self.hparams.max_len, ) if self.hparams.mini_run: mini_size = 100 # subsample trainset tindices = np.arange(0, 1000) train_indices = np.sort( np.random.choice(tindices, mini_size, replace=False) ) self.train_dataset = Subset(self.train_dataset, train_indices) # subsample validset vindices = np.arange(1, 80000, 1) valid_indices = np.random.choice(vindices, mini_size) self.valid_dataset = Subset(self.valid_dataset, valid_indices) elif stage == "test" or stage == "predict": self.test_dataset = UniRefDataset( data_dir=self.hparams.data_dir, split="valid", max_len=self.hparams.max_len, ) else: raise ValueError(f"Invalid stage: {stage}.") self.stage = stage def train_dataloader(self): return setup_dataloader( self.train_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, mini_run=self.hparams.mini_run, max_len=self.hparams.max_len, max_batch_size=( 1 if self.stage == "test" or self.stage == "predict" else 800 ), ) def val_dataloader(self): return setup_dataloader( self.valid_dataset, # collater=self.hparams.collater, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, mini_run=self.hparams.mini_run, max_len=self.hparams.max_len, ) def test_dataloader(self): return setup_dataloader( self.test_dataset, # collater=self.hparams.collater, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, bucket_size=self.hparams.num_seqs, max_batch_size=self.hparams.num_seqs, ) ================================================ FILE: src/byprot/datamodules/uniref50_hf.py ================================================ from functools import partial from typing import ( Any, Callable, Dict, List, Optional, Sequence, Tuple, TypeVar, ) import numpy as np import torch from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, Dataset from byprot import utils from byprot.datamodules import register_datamodule from byprot.datamodules.dataset.uniref_hf import ( Subset, UniRefDatasetForTesting, UniRefHFDataset, setup_dataloader, ) log = utils.get_logger(__name__) @register_datamodule("uniref50_hf") class UniRefHFDataModule(LightningDataModule): def __init__( self, data_dir: str = "data/tape", max_tokens: int = 6000, max_len: int = 2048, num_workers: int = 0, num_seqs: int = 40, # used for testing ): super().__init__() # this line allows to access init params with 'self.hparams' attribute self.save_hyperparameters(logger=False) self.alphabet = None self.train_data: Optional[Dataset] = None self.valid_data: Optional[Dataset] = None self.test_data: Optional[Dataset] = None def setup(self, stage: Optional[str] = None): """Load data. Set variables: `self.data_train`, `self.data_val`, `self.data_test`. This method is called by lightning when doing `trainer.fit()` and `trainer.test()`, so be careful not to execute the random split twice! The `stage` can be used to differentiate whether it's called before trainer.fit()` or `trainer.test()`. """ if stage == "fit": self.train_dataset = UniRefHFDataset( data_dir=self.hparams.data_dir, split="train", max_len=self.hparams.max_len, ) self.valid_dataset = UniRefHFDataset( data_dir=self.hparams.data_dir, split="valid", max_len=self.hparams.max_len, ) elif stage == "test" or stage == "predict": self.test_dataset = UniRefDatasetForTesting( max_len=self.hparams.max_len, num_seqs=self.hparams.num_seqs ) self.train_dataset = UniRefDatasetForTesting( max_len=self.hparams.max_len, num_seqs=self.hparams.num_seqs ) # used for deepspeed else: raise ValueError(f"Invalid stage: {stage}.") self.stage = stage def train_dataloader(self): return setup_dataloader( self.train_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, max_batch_size=1 if self.stage == "test" or self.stage == "predict" else 800, ) def val_dataloader(self): return setup_dataloader( self.valid_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, ) def test_dataloader(self): return setup_dataloader( self.test_dataset, max_tokens=self.hparams.max_tokens, num_workers=self.hparams.num_workers, max_len=self.hparams.max_len, bucket_size=self.hparams.num_seqs, max_batch_size=self.hparams.num_seqs, ) ================================================ FILE: src/byprot/models/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import glob import importlib import os from omegaconf import DictConfig from byprot.utils import import_modules MODEL_REGISTRY = {} def register_model(name): def decorator(cls): MODEL_REGISTRY[name] = cls return cls return decorator # automatically import any Python files in the models/ directory import_modules( os.path.dirname(__file__), "byprot.models", excludes=["protein_structure_prediction"], ) ================================================ FILE: src/byprot/models/dplm/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from .dplm import DiffusionProteinLanguageModel from .dplm_invfold import DPLMInvFold from .modules.dplm_modeling_esm import EsmForDPLM ================================================ FILE: src/byprot/models/dplm/dplm.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math import os from dataclasses import dataclass, field import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf from tqdm import tqdm from transformers import AutoConfig, AutoTokenizer from byprot.models import register_model from byprot.models.utils import ( LoRAConfig, NetConfig, get_net, get_net_class, sample_from_categorical, stochastic_sample_from_categorical, top_k_top_p_filtering, topk_masking, ) @dataclass class DPLMConfig: num_diffusion_timesteps: int = field(default=500) lora: LoRAConfig = field(default=LoRAConfig()) net: NetConfig = field(default=NetConfig()) gradient_ckpt: bool = field(default=False) rdm_couple: bool = field(default=False) @register_model("dplm") class DiffusionProteinLanguageModel(nn.Module): _default_cfg = DPLMConfig() def __init__(self, cfg, net=None): super().__init__() self._update_cfg(cfg) self.net = get_net(self.cfg) if net is None else net self.tokenizer = self.net.tokenizer self.mask_id = self.net.mask_id self.pad_id = self.net.pad_id self.bos_id = self.net.bos_id self.eos_id = self.net.eos_id self.x_id = self.net.x_id if self.cfg.gradient_ckpt: self.net.supports_gradient_checkpointing = True self.net.gradient_checkpointing_enable() @classmethod def from_pretrained( cls, net_name, cfg_override={}, net_override={}, from_huggingface=True ): if not from_huggingface: # Load model checkpoint from local if you pretrain a DPLM with this repo # The net_name should be like: # ${name}/checkpoints/last.ckpt # and there should be .hydra/config.yaml in the ${name} directory that is automatically generated during training. from collections import OrderedDict from pathlib import Path from byprot.utils.config import load_yaml_config cfg_path = Path(net_name).parents[1] cfg_path = Path(cfg_path, ".hydra", "config.yaml") cfg = load_yaml_config(str(cfg_path)).model cfg.net.pretrain = False cfg.pop("_target_") model = cls(cfg) pretrained_state_dict = torch.load( net_name, map_location=torch.device("cpu") )["state_dict"] new_pretrained_state_dict = OrderedDict() # remove the module prefix "model." for k, v in pretrained_state_dict.items(): new_pretrained_state_dict[k[6:]] = v missing, unexpected = model.load_state_dict( new_pretrained_state_dict, strict=False ) print( f"Restored from {net_name} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") return model else: # Load DPLM model checkpoint from huggingface dplm_type = AutoConfig.from_pretrained(net_name).dplm_type net_class = get_net_class(dplm_type) net = net_class.from_pretrained(net_name, **net_override) return cls(cfg=cfg_override, net=net) def _update_cfg(self, cfg): self.cfg = OmegaConf.merge(self._default_cfg, cfg) def q_sample_coupled(self, x_0, t1, t2, maskable_mask): t1_eq_t2_mask = t1 == t2 t1, t2 = torch.maximum(t1, t2).float(), torch.minimum(t1, t2).float() # sample t1 u = torch.rand_like(x_0, dtype=torch.float) t1_mask = ( u < (t1 / self.cfg.num_diffusion_timesteps)[:, None] ) & maskable_mask x_t1 = x_0.masked_fill(t1_mask, self.mask_id) # sample t2 u = torch.rand_like(x_0, dtype=torch.float) t2_mask = t1_mask & (u > ((t1 - t2) / t1)[:, None]) u = torch.rand_like(x_0[t1_eq_t2_mask], dtype=torch.float) t2_mask[t1_eq_t2_mask] = ( u < (t1[t1_eq_t2_mask] / self.cfg.num_diffusion_timesteps)[:, None] ) & (maskable_mask[t1_eq_t2_mask]) x_t2 = x_0.masked_fill(t2_mask, self.mask_id) return { "x_t": torch.cat([x_t1, x_t2], dim=0), "t": torch.cat([t1, t2]), "mask_mask": torch.cat([t1_mask, t2_mask], dim=0), } def q_sample(self, x_0, t1, maskable_mask): # sample t1 u = torch.rand_like(x_0, dtype=torch.float) t1_mask = ( u < (t1 / self.cfg.num_diffusion_timesteps)[:, None] ) & maskable_mask x_t1 = x_0.masked_fill(t1_mask, self.mask_id) x_t1 = x_t1.masked_fill(t1_mask, self.mask_id) return { "x_t": x_t1, "t": t1, "mask_mask": t1_mask, } def forward(self, input_ids, return_last_hidden_state=False, **kwargs): outputs = self.net( input_ids=input_ids, ) logits = outputs["logits"] if return_last_hidden_state: last_hidden_state = outputs["last_hidden_state"] return logits, last_hidden_state else: return logits def compute_loss(self, batch, weighting="constant"): target = batch["targets"] t1, t2 = torch.randint( 1, self.cfg.num_diffusion_timesteps + 1, (2 * target.size(0),), device=target.device, ).chunk(2) if self.cfg.rdm_couple: # couple training # refer to Appendix G: Improved Training with Conditioning # and Algorithm 3 in Zheng et al., 2023 (https://arxiv.org/pdf/2302.05737) x_t, t, loss_mask = list( self.q_sample_coupled( target, t1, t2, maskable_mask=self.get_non_special_symbol_mask(target), ).values() ) target = target.repeat(2, 1) else: x_t, t, loss_mask = list( self.q_sample( target, t1, maskable_mask=self.get_non_special_symbol_mask(target), ).values() ) logits = self.forward(x_t) num_timesteps = self.cfg.num_diffusion_timesteps weight = { "linear": ( num_timesteps - (t - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(t), }[weighting][:, None].float() / num_timesteps return logits, target, loss_mask, weight def forward_encoder(self, input_tokens, **kwargs): return {} def initialize_output_tokens(self, input_tokens, partial_masks=None, **kwargs): tokens = input_tokens if tokens is None: raise NotImplementedError else: output_mask = self.get_non_special_symbol_mask(tokens, partial_masks=partial_masks) output_tokens = tokens.masked_fill(output_mask, self.mask_id) output_scores = torch.zeros_like(output_tokens, dtype=torch.float) return output_tokens, output_scores def resample(self, _tokens, _scores, ratio, scale): """Rejection sampling for eliminating the unexpected repeat patterns in generation results, e.g., GGGGG.... We first calculate the frequency of all tokens, and for the tokens that have a frequency higher than the threshold (length * ratio), we mask them and resample conditioning on the remaining tokens. For example, the generation result is MLKNVVVVVVVVVVLDN, we mask the 'V' tokens to get MLKNLDN, and resample to get MLKNVTKYYGEVKALDN. """ to_be_resample_idx = [] resample_input = [] resample_input_mask = [] resample_input_scores = [] # Calculate the frequency of all tokens for i, seq in enumerate(_tokens): most_token_dict = {} most_token_num = -1 for j, token in enumerate(seq): token = int(token) if token not in most_token_dict: most_token_dict[token] = [j] else: most_token_dict[token].append(j) if len(most_token_dict[token]) > most_token_num: most_token_num = len(most_token_dict[token]) if most_token_num > len(seq) * ratio: # For all tokens with a frequency higher than the threshold, transform them to mask token. to_be_resample_idx.append(i) resample_input_scores.append(_scores[i]) mask = torch.zeros_like(seq).bool() for k, v in most_token_dict.items(): if len(v) > len(seq) * ratio: mask |= seq.eq(k) resample_input_mask.append(mask) resample_input.append(seq.masked_fill(mask, self.mask_id)) if len(to_be_resample_idx) > 0: # Resample the sequences that have tokens with higher frequency than threthold. resample_input = torch.stack(resample_input, dim=0).type_as( _tokens ) resample_input_scores = torch.stack( resample_input_scores, dim=0 ).type_as(_scores) resample_input_mask = ( torch.stack(resample_input_mask, dim=0).type_as(_tokens).bool() ) resample_logits = self.net( input_ids=resample_input, )["logits"] if resample_logits.dtype != _scores.dtype: resample_logits = resample_logits.type_as(_scores) resample_logits[..., self.mask_id] = -math.inf resample_logits[..., self.x_id] = -math.inf resample_logits[..., self.pad_id] = -math.inf resample_logits[..., self.bos_id] = -math.inf resample_logits[..., self.eos_id] = -math.inf resample_logits = top_k_top_p_filtering( resample_logits, top_p=0.95 ) noise_scale = scale assert resample_logits.size(0) == len(to_be_resample_idx) ( resample_tokens, resample_scores, ) = stochastic_sample_from_categorical( resample_logits, temperature=0.0, noise_scale=noise_scale ) resample_input.masked_scatter_( resample_input_mask, resample_tokens[resample_input_mask] ) resample_input_scores.masked_scatter_( resample_input_mask, resample_scores[resample_input_mask] ) _tokens[to_be_resample_idx], _scores[to_be_resample_idx] = ( resample_input, resample_input_scores, ) def forward_decoder( self, prev_decoder_out, encoder_out=None, need_attn_weights=False, partial_masks=None, sampling_strategy="gumbel_argmax", disable_resample=True, resample_ratio=0.25, ): output_tokens = prev_decoder_out["output_tokens"].clone() output_scores = prev_decoder_out["output_scores"].clone() step, max_step = prev_decoder_out["step"], prev_decoder_out["max_step"] temperature = prev_decoder_out["temperature"] history = prev_decoder_out["history"] output_masks = self.get_non_special_symbol_mask( output_tokens, partial_masks=partial_masks ) net_out = self.net( input_ids=output_tokens, ) logits = net_out["logits"] attentions = net_out["attentions"] if need_attn_weights else None if logits.dtype != output_scores.dtype: logits = logits.type_as(output_scores) logits[..., self.mask_id] = -math.inf logits[..., self.x_id] = -math.inf logits[..., self.pad_id] = -math.inf logits[..., self.bos_id] = -math.inf logits[..., self.eos_id] = -math.inf # logits = top_k_top_p_filtering(logits, top_p=0.95) if sampling_strategy == "vanilla": _tokens, _scores = sample_from_categorical( logits, temperature=temperature ) elif sampling_strategy == "argmax": _scores, _tokens = logits.max(-1) elif sampling_strategy == "gumbel_argmax": noise_scale = 1.0 _tokens, _scores = stochastic_sample_from_categorical( logits, temperature=0.0, noise_scale=noise_scale ) if not disable_resample: # rejection sampling for eliminating the repeat pattern in the sampled sequence self.resample( _tokens, _scores, ratio=resample_ratio, scale=1.0 ) else: raise NotImplementedError output_tokens.masked_scatter_(output_masks, _tokens[output_masks]) output_scores.masked_scatter_(output_masks, _scores[output_masks]) history.append(output_tokens.clone()) return dict( output_tokens=output_tokens, output_scores=output_scores, attentions=attentions, # [B, L, H, T, T] step=step + 1, max_step=max_step, history=history, hidden_states=net_out["last_hidden_state"], ) def get_non_special_symbol_mask(self, output_tokens, partial_masks=None): non_special_sym_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.bos_id) & output_tokens.ne(self.eos_id) ) if partial_masks is not None: non_special_sym_mask &= ~partial_masks return non_special_sym_mask def _reparam_decoding( self, output_tokens, output_scores, cur_tokens, cur_scores, decoding_strategy, xt_neq_x0, non_special_sym_mask, t, max_step, noise, ): """This function is used to perform reparameterized decoding.""" # output_tokens: [B, N] # output_scores: [B, N] # cur_tokens: [B, N] # cur_scores: [B, N] # xt_neq_x0: equivalent to not_b_t [B, N] # non_special_sym_mask: [B, N] # noise: either [B, N] or scalar (if using the mask noise) # decoding_strategy needs to take the form of "reparam---" _, condition, topk_mode, schedule = decoding_strategy.split("-") # first set the denoising rate according to the schedule if schedule == "linear": rate = 1 - t / max_step elif schedule == "cosine": rate = np.cos(t / max_step * np.pi * 0.5) else: raise NotImplementedError # compute the cutoff length for denoising top-k positions cutoff_len = ( non_special_sym_mask.sum(1, keepdim=True).type_as(output_scores) * rate ).long() # set the scores of special symbols to a large value so that they will never be selected _scores_for_topk = cur_scores.masked_fill( ~non_special_sym_mask, 1000.0 ) # the top-k selection can be done in two ways: stochastic by injecting Gumbel noise or deterministic if topk_mode.startswith("stochastic"): noise_scale = float(topk_mode.replace("stochastic", "")) lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=True, temp=noise_scale * rate, ) elif topk_mode == "deterministic": lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=False ) else: raise NotImplementedError # Various choices to generate v_t := [v1_t, v2_t]. # Note that # v1_t governs the outcomes of tokens where b_t = 1, # v2_t governs the outcomes of tokens where b_t = 0. # #### the `uncond` mode #### # In our reparameterized decoding, # both v1_t and v2_t can be fully determined by the current token scores . # #### the `cond` mode #### # However, we can also impose some conditional constraints on v1_t so that # the decoding can be performed in a more conservative manner. # For example, we can set v1_t = 0 only when # (the newly output tokens are the same as previous denoised results, AND # the current token score becomes lower, AND # the current token score is not in the top-k share among all tokens). if condition == "cond": not_v1_t = ( (cur_tokens == output_tokens) & (cur_scores < output_scores) & lowest_k_mask ) elif condition == "uncond": not_v1_t = lowest_k_mask else: raise NotImplementedError # for b_t = 0, the token is set to noise if it is in the lowest k scores. not_v2_t = lowest_k_mask last_mask_position = xt_neq_x0 masked_to_noise = (~xt_neq_x0 & not_v1_t) | (xt_neq_x0 & not_v2_t) if isinstance(noise, torch.Tensor): output_tokens.masked_scatter_( masked_to_noise, noise[masked_to_noise] ) elif isinstance(noise, (int, float)): output_tokens.masked_fill_(masked_to_noise, noise) else: raise NotImplementedError( "noise should be either a tensor or a scalar" ) output_scores.masked_fill_(masked_to_noise, -math.inf) masked_to_x0 = xt_neq_x0 & ~not_v2_t output_tokens.masked_scatter_(masked_to_x0, cur_tokens[masked_to_x0]) output_scores.masked_scatter_(masked_to_x0, cur_scores[masked_to_x0]) assert ((masked_to_x0 & last_mask_position) == masked_to_x0).all() # b_{t} = (b_{t+1} & u_t) | v_t # For convenience, save the NOT of b_t for the next iteration # NOT_b_{t} = (NOT_b_{t+1} | not_v1_t) & not_v2_t # # # When condition is 'uncond', the not_v1_t is equal to not_v2_t, the new_xt_neq_x0 is always equal to not_v1/v2_t new_xt_neq_x0 = (xt_neq_x0 | not_v1_t) & not_v2_t assert (new_xt_neq_x0 == not_v2_t).all() return new_xt_neq_x0, output_tokens, output_scores def generate( self, input_tokens, tokenizer=None, max_iter=None, temperature=None, partial_masks=None, sampling_strategy="gumbel_argmax", disable_resample=False, resample_ratio=0.25, ): tokenizer = tokenizer max_iter = max_iter temperature = temperature # 0) encoding encoder_out = self.forward_encoder(input_tokens) # 1) initialized from all mask tokens ( initial_output_tokens, initial_output_scores, ) = self.initialize_output_tokens( input_tokens, encoder_out=encoder_out, partial_masks=partial_masks ) prev_decoder_out = dict( output_tokens=initial_output_tokens, output_scores=initial_output_scores, output_masks=None, attentions=None, step=0, max_step=max_iter, history=[initial_output_tokens.clone()], temperature=temperature, ) prev_decoder_out["output_masks"] = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) for step in tqdm(range(max_iter), desc="Decoding"): # 2.1: predict with torch.no_grad(): decoder_out = self.forward_decoder( prev_decoder_out=prev_decoder_out, encoder_out=encoder_out, partial_masks=partial_masks, sampling_strategy=sampling_strategy, disable_resample=disable_resample, resample_ratio=resample_ratio, ) output_tokens = decoder_out["output_tokens"] output_scores = decoder_out["output_scores"] # 2.2: re-mask skeptical parts of low confidence non_special_sym_mask = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) ( output_masks, result_tokens, result_scores, ) = self._reparam_decoding( output_tokens=prev_decoder_out["output_tokens"].clone(), output_scores=prev_decoder_out["output_scores"].clone(), cur_tokens=output_tokens.clone(), cur_scores=output_scores.clone(), decoding_strategy="reparam-uncond-deterministic-linear", xt_neq_x0=prev_decoder_out["output_masks"], non_special_sym_mask=non_special_sym_mask, t=step + 1, max_step=max_iter, noise=self.mask_id, ) prev_decoder_out.update(output_masks=output_masks) output_tokens = result_tokens output_scores = result_scores prev_decoder_out.update( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, history=decoder_out["history"], ) decoder_out = prev_decoder_out return decoder_out['output_tokens'] ================================================ FILE: src/byprot/models/dplm/dplm_invfold.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math from dataclasses import dataclass, field import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf, open_dict from tqdm import tqdm from byprot import utils from byprot.models import register_model from byprot.models.dplm.modules.dplm_adapter import ( DPLMWithAdapterConfig, DPLMWithConditionalAdatper, ) from byprot.models.utils import ( stochastic_sample_from_categorical, topk_masking, ) @dataclass class GVPTransEncoderConfig: output_logits: bool = False d_model: int = 512 @dataclass class DPLMInvFoldConfig: encoder: GVPTransEncoderConfig = field(default=GVPTransEncoderConfig()) decoder: DPLMWithAdapterConfig = field(default=DPLMWithAdapterConfig()) init_pred_where: bool = True @register_model("dplm_invfold") class DPLMInvFold(nn.Module): _default_cfg = DPLMInvFoldConfig() def __init__(self, cfg) -> None: super().__init__() self.encoder = utils.instantiate_from_config( cfg=cfg.encoder, group="model" ) self.decoder = DPLMWithConditionalAdatper.from_pretrained( cfg=cfg.decoder ) self._update_cfg(cfg) self.pad_id = self.decoder.pad_id self.mask_id = self.decoder.mask_id self.bos_id = self.decoder.bos_id self.eos_id = self.decoder.eos_id self.x_id = self.decoder.x_id self.init_pred_where = self.cfg.init_pred_where def _update_cfg(self, cfg): if "_target_" in cfg.encoder: cfg.encoder.pop("_target_") self.cfg = OmegaConf.merge(self._default_cfg, cfg) @classmethod def from_pretrained(cls, net_name, cfg_override={}, net_override={}): # Load model checkpoint from local if you pretrain a structure-condition DPLM with this repo # The net_name should be like: # ${name}/checkpoints/last.ckpt # and there should be .hydra/config.yaml in the ${name} directory that is automatically generated during training. from collections import OrderedDict from pathlib import Path from byprot.utils.config import load_yaml_config cfg_path = Path(net_name).parents[1] cfg_path = Path(cfg_path, ".hydra", "config.yaml") cfg = load_yaml_config(str(cfg_path)).model cfg.pop("_target_") model = cls(cfg) pretrained_state_dict = torch.load( net_name, map_location=torch.device("cpu") )["state_dict"] new_pretrained_state_dict = OrderedDict() # remove the module prefix "model." for k, v in pretrained_state_dict.items(): new_pretrained_state_dict[k[6:]] = v missing, unexpected = model.load_state_dict( new_pretrained_state_dict, strict=False ) print( f"Restored from {net_name} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") return model def forward( self, batch, weighting="linear", return_outputs=True, output_encoder_logits=False, **kwargs, ): encoder_logits = None if output_encoder_logits: encoder_logits, encoder_out = self.encoder( batch, output_logits=True, **kwargs ) else: encoder_out = self.encoder(batch, output_logits=False, **kwargs) encoder_out["feats"] = encoder_out["feats"].repeat(2, 1, 1).detach() encoder_out["encoder_attention_mask"] = batch["tokens"].ne(self.pad_id) encoder_out["encoder_attention_mask"] = encoder_out[ "encoder_attention_mask" ].repeat(2, 1) if encoder_logits is not None: init_pred = encoder_logits.argmax(-1) if self.init_pred_where: init_pred = torch.where( batch["coord_mask"], init_pred, batch["tokens"] ) logits, target, loss_mask, weight = self.decoder.compute_loss( batch=batch, weighting=weighting, tokens=init_pred if encoder_logits is not None else None, encoder_out=encoder_out, return_outputs=return_outputs, ) return ( logits, target, loss_mask, weight, encoder_logits.repeat(2, 1, 1) if output_encoder_logits else None, ) def forward_encoder(self, batch, use_draft_seq=False): encoder_logits = None encoder_out = None if use_draft_seq: encoder_logits, encoder_out = self.encoder( batch, return_feats=True, output_logits=True ) init_pred = encoder_logits.argmax(-1) if self.init_pred_where: init_pred = torch.where( batch["coord_mask"], init_pred, batch["prev_tokens"] ) encoder_out["logits"] = encoder_logits encoder_out["init_pred"] = init_pred else: encoder_out = self.encoder( batch, return_feats=True, output_logits=False ) encoder_out["coord_mask"] = batch["coord_mask"] encoder_out["encoder_attention_mask"] = ( batch["motif_mask"] if "motif_mask" in batch else batch["prev_tokens"].ne(self.pad_id) ) return encoder_out def get_non_special_sym_mask(self, output_tokens, partial_masks=None): non_special_sym_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.bos_id) & output_tokens.ne(self.eos_id) ) if partial_masks is not None: non_special_sym_mask &= ~partial_masks return non_special_sym_mask def forward_decoder( self, prev_decoder_out, encoder_out, need_attn_weights=False, partial_masks=None, sampling_strategy="gumbel_argmax", ): output_tokens = prev_decoder_out["output_tokens"].clone() output_scores = prev_decoder_out["output_scores"].clone() step, max_step = prev_decoder_out["step"], prev_decoder_out["max_step"] temperature = prev_decoder_out["temperature"] history = prev_decoder_out["history"] output_masks = self.get_non_special_sym_mask( output_tokens, partial_masks=partial_masks ) esm_out = self.decoder( batch={ "prev_tokens": output_tokens, }, encoder_out=encoder_out, need_head_weights=need_attn_weights, ) esm_logits = esm_out["logits"] attentions = esm_out["attentions"] if need_attn_weights else None logits = esm_logits logits[..., self.mask_id] = -math.inf logits[..., self.x_id] = -math.inf logits[..., self.pad_id] = -math.inf logits[..., self.bos_id] = -math.inf logits[..., self.eos_id] = -math.inf if sampling_strategy == "argmax": _scores, _tokens = logits.max(-1) elif sampling_strategy == "gumbel_argmax": noise_scale = 1.0 _tokens, _scores = stochastic_sample_from_categorical( logits, temperature=0.0, noise_scale=noise_scale ) output_tokens.masked_scatter_(output_masks, _tokens[output_masks]) output_scores.masked_scatter_(output_masks, _scores[output_masks]) history.append(output_tokens.clone()) return dict( output_tokens=output_tokens, output_scores=output_scores, attentions=attentions, # [B, L, H, T, T] step=step + 1, max_step=max_step, history=history, hidden_states=esm_out["last_hidden_state"], ) def initialize_output_tokens( self, batch, encoder_out, partial_masks=None, use_draft_seq=False, length_beam=1, mbr=1, ): mask = encoder_out.get("coord_mask", None) if use_draft_seq: prev_tokens = batch["prev_tokens"] prev_token_mask = batch["prev_token_mask"] initial_output_tokens = torch.where( prev_token_mask, encoder_out["init_pred"], prev_tokens ) initial_output_scores = torch.zeros( *initial_output_tokens.size(), device=initial_output_tokens.device, ) else: tokens = batch["prev_tokens"] if tokens is None: raise NotImplementedError else: assert length_beam == 1 and mbr == 1 output_mask = self.get_non_special_sym_mask( tokens, partial_masks=partial_masks ) output_tokens = tokens.masked_fill(output_mask, self.mask_id) output_scores = torch.zeros_like( output_tokens, dtype=torch.float ) # output_tokens = torch.where(output_mask, encoder_out['init_pred'], output_tokens) return output_tokens, output_scores return initial_output_tokens, initial_output_scores def _reparam_decoding( self, output_tokens, output_scores, cur_tokens, cur_scores, decoding_strategy, xt_neq_x0, non_special_sym_mask, t, max_step, noise, ): """This function is used to perform reparameterized decoding.""" # output_tokens: [B, N] # output_scores: [B, N] # cur_tokens: [B, N] # cur_scores: [B, N] # xt_neq_x0: equivalent to not_b_t [B, N] # non_special_sym_mask: [B, N] # noise: either [B, N] or scalar (if using the mask noise) # decoding_strategy needs to take the form of "reparam---" _, condition, topk_mode, schedule = decoding_strategy.split("-") # first set the denoising rate according to the schedule if schedule == "linear": rate = 1 - t / max_step elif schedule == "cosine": rate = np.cos(t / max_step * np.pi * 0.5) else: raise NotImplementedError # compute the cutoff length for denoising top-k positions cutoff_len = ( non_special_sym_mask.sum(1, keepdim=True).type_as(output_scores) * rate ).long() # set the scores of special symbols to a large value so that they will never be selected _scores_for_topk = cur_scores.masked_fill( ~non_special_sym_mask, 1000.0 ) # the top-k selection can be done in two ways: stochastic by injecting Gumbel noise or deterministic if topk_mode.startswith("stochastic"): noise_scale = float(topk_mode.replace("stochastic", "")) lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=True, temp=noise_scale * rate, ) elif topk_mode == "deterministic": lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=False ) else: raise NotImplementedError # Various choices to generate v_t := [v1_t, v2_t]. # Note that # v1_t governs the outcomes of tokens where b_t = 1, # v2_t governs the outcomes of tokens where b_t = 0. # #### the `uncond` mode #### # In our reparameterized decoding, # both v1_t and v2_t can be fully determined by the current token scores . # #### the `cond` mode #### # However, we can also impose some conditional constraints on v1_t so that # the decoding can be performed in a more conservative manner. # For example, we can set v1_t = 0 only when # (the newly output tokens are the same as previous denoised results, AND # the current token score becomes lower, AND # the current token score is not in the top-k share among all tokens). if condition == "cond": not_v1_t = ( (cur_tokens == output_tokens) & (cur_scores < output_scores) & lowest_k_mask ) elif condition == "uncond": not_v1_t = lowest_k_mask else: raise NotImplementedError # for b_t = 0, the token is set to noise if it is in the lowest k scores. not_v2_t = lowest_k_mask last_mask_position = xt_neq_x0 masked_to_noise = (~xt_neq_x0 & not_v1_t) | (xt_neq_x0 & not_v2_t) if isinstance(noise, torch.Tensor): output_tokens.masked_scatter_( masked_to_noise, noise[masked_to_noise] ) elif isinstance(noise, (int, float)): output_tokens.masked_fill_(masked_to_noise, noise) else: raise NotImplementedError( "noise should be either a tensor or a scalar" ) output_scores.masked_fill_(masked_to_noise, -math.inf) masked_to_x0 = xt_neq_x0 & ~not_v2_t output_tokens.masked_scatter_(masked_to_x0, cur_tokens[masked_to_x0]) output_scores.masked_scatter_(masked_to_x0, cur_scores[masked_to_x0]) assert ((masked_to_x0 & last_mask_position) == masked_to_x0).all() # b_{t} = (b_{t+1} & u_t) | v_t # For convenience, save the NOT of b_t for the next iteration # NOT_b_{t} = (NOT_b_{t+1} | not_v1_t) & not_v2_t # # # When condition is 'uncond', the not_v1_t is equal to not_v2_t, the new_xt_neq_x0 is always equal to not_v1/v2_t new_xt_neq_x0 = (xt_neq_x0 | not_v1_t) & not_v2_t assert (new_xt_neq_x0 == not_v2_t).all() return new_xt_neq_x0, output_tokens, output_scores def generate( self, batch, tokenizer=None, max_iter=None, temperature=None, partial_masks=None, sampling_strategy="argmax", use_draft_seq=False, ): tokenizer = tokenizer max_iter = max_iter temperature = temperature # 0) encoding encoder_out = self.forward_encoder(batch, use_draft_seq=use_draft_seq) # 1) initialized from all mask tokens ( initial_output_tokens, initial_output_scores, ) = self.initialize_output_tokens( batch, encoder_out=encoder_out, partial_masks=partial_masks, use_draft_seq=use_draft_seq, ) prev_decoder_out = dict( output_tokens=initial_output_tokens, output_scores=initial_output_scores, output_masks=None, attentions=None, step=0, max_step=max_iter, history=[initial_output_tokens.clone()], temperature=temperature, ) prev_decoder_out["output_masks"] = self.get_non_special_sym_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) for step in tqdm(range(max_iter), desc="Decoding"): # 2.1: predict with torch.no_grad(): decoder_out = self.forward_decoder( prev_decoder_out=prev_decoder_out, encoder_out=encoder_out, partial_masks=partial_masks, sampling_strategy=sampling_strategy, ) output_tokens = decoder_out["output_tokens"] output_scores = decoder_out["output_scores"] # 2.2: re-mask skeptical parts of low confidence non_special_sym_mask = self.get_non_special_sym_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) ( output_masks, result_tokens, result_scores, ) = self._reparam_decoding( output_tokens=output_tokens.clone(), output_scores=output_scores.clone(), cur_tokens=prev_decoder_out["output_tokens"].clone(), cur_scores=prev_decoder_out["output_scores"].clone(), decoding_strategy="reparam-uncond-deterministic-linear", xt_neq_x0=prev_decoder_out["output_masks"], non_special_sym_mask=non_special_sym_mask, t=step + 1, max_step=max_iter, noise=self.mask_id, # if 'init_pred' not in encoder_out else encoder_out['init_pred'], ) prev_decoder_out.update(output_masks=output_masks) output_tokens = result_tokens output_scores = result_scores prev_decoder_out.update( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, history=decoder_out["history"], ) decoder_out = prev_decoder_out return decoder_out["output_tokens"], decoder_out["output_scores"] ================================================ FILE: src/byprot/models/dplm/modules/dplm_adapter.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from copy import deepcopy from dataclasses import dataclass, field import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf from transformers import AutoConfig from transformers.models.esm.modeling_esm import ( EsmAttention, EsmIntermediate, EsmOutput, EsmSelfAttention, EsmSelfOutput, ) from byprot import utils from byprot.models.dplm import DiffusionProteinLanguageModel from byprot.models.utils import NetConfig, get_net logger = utils.get_logger(__name__) @dataclass class DPLMWithAdapterConfig: num_diffusion_timesteps: int = field(default=100) adapter_dropout: float = field(default=0.1) encoder_d_model: int = field(default=512) dplm_name: str = field(default="") net: NetConfig = field(default=NetConfig()) class DPLMWithConditionalAdatper(nn.Module): _default_cfg = DPLMWithAdapterConfig() @classmethod def from_pretrained(cls, cfg): net = DiffusionProteinLanguageModel.from_pretrained(cfg.dplm_name).net # change net.last_layer to AdapterLayer # by default based on the esm model adapter = AdapterLayer(cfg, deepcopy(net.config)) net_last_layer = net.esm.encoder.layer[-1] adapter.load_state_dict(net_last_layer.state_dict(), strict=False) net.esm.encoder.layer[-1] = adapter del net_last_layer dplm_adapter = cls(cfg, net) for pname, param in dplm_adapter.named_parameters(): if "adapter" not in pname: param.requires_grad = False return dplm_adapter def __init__(self, cfg, net=None): super().__init__() self._update_cfg(cfg) self.net = get_net(cfg) if net is None else net self.tokenizer = self.net.tokenizer self.mask_id = self.net.mask_id self.pad_id = self.net.pad_id self.bos_id = self.net.bos_id self.eos_id = self.net.eos_id self.x_id = self.net.x_id def forward( self, batch, encoder_out=None, tokens=None, loss_mask=None, forward_diffusion=False, **kwargs ): encoder_hidden_states = encoder_out["feats"] encoder_attention_mask = ( encoder_out["encoder_attention_mask"] if "encoder_attention_mask" in encoder_out else batch["prev_tokens"].ne(self.pad_id) ) outputs = self.net( input_ids=batch["prev_tokens"], encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_attention_mask, ) return outputs def compute_loss( self, batch, weighting="constant", encoder_out=None, tokens=None, label_smoothing=False, return_outputs=False, ): target = batch["tokens"] if tokens is None else tokens partial_masks = torch.zeros_like(target).bool() # couple t1, t2 = torch.randint( 1, self.cfg.num_diffusion_timesteps + 1, (2 * target.size(0),), device=target.device, ).chunk(2) x_t, t, loss_mask = list( self.q_sample_coupled( target, t1, t2, maskable_mask=self.get_non_special_sym_mask( target, partial_masks ), ).values() ) target = target.repeat(2, 1) batch["prev_tokens"] = x_t logits = self.forward( batch, encoder_out=encoder_out, loss_mask=loss_mask, forward_diffusion=True, )["logits"] num_timesteps = self.cfg.num_diffusion_timesteps weight = { "linear": ( num_timesteps - (t - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(t), }[weighting][:, None].float() / num_timesteps weight = weight.expand(loss_mask.size()) return logits, batch["tokens"].repeat(2, 1), loss_mask, weight def _update_cfg(self, cfg): # if '_target_' in cfg.denoiser: # cfg.denoiser.pop('_target_') self.cfg = OmegaConf.merge(self._default_cfg, cfg) def q_sample_coupled(self, x_0, t1, t2, maskable_mask): # partial mask: True for the part should not be mask t1_eq_t2_mask = t1 == t2 t1, t2 = torch.maximum(t1, t2).float(), torch.minimum(t1, t2).float() # sample t1 u = torch.rand_like(x_0, dtype=torch.float) t1_mask = ( u < (t1 / self.cfg.num_diffusion_timesteps)[:, None] ) & maskable_mask x_t1 = x_0.masked_fill(t1_mask, self.mask_id) # sample t2 u = torch.rand_like(x_0, dtype=torch.float) t2_mask = t1_mask & (u > ((t1 - t2) / t1)[:, None]) u = torch.rand_like(x_0[t1_eq_t2_mask], dtype=torch.float) t2_mask[t1_eq_t2_mask] = ( u < (t1[t1_eq_t2_mask] / self.cfg.num_diffusion_timesteps)[:, None] ) & (maskable_mask[t1_eq_t2_mask]) x_t2 = x_0.masked_fill(t2_mask, self.mask_id) return { "x_t": torch.cat([x_t1, x_t2], dim=0), "t": torch.cat([t1, t2]), "mask_mask": torch.cat([t1_mask, t2_mask], dim=0), } def get_non_special_sym_mask(self, output_tokens, partial_masks=None): non_special_sym_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.bos_id) & output_tokens.ne(self.eos_id) ) if partial_masks is not None: non_special_sym_mask &= ~partial_masks return non_special_sym_mask class AdapterLayer(nn.Module): def __init__(self, cfg, config): super().__init__() self.seq_len_dim = 1 self.attention = EsmAttention(config) self.intermediate = EsmIntermediate(config) self.output = EsmOutput(config) kdim = vdim = getattr(cfg, "encoder_d_model", 512) config.hidden_dropout_prob = getattr(cfg, "adapter_dropout", 0.0) self.adapter_crossattention = ModifiedEsmAttention( config, kdim=kdim, vdim=vdim ) # config.intermediate_size = config.hidden_size // 2 # Notes: bottleneck ffn self.adapter_intermediate = EsmIntermediate(config) self.adapter_output = EsmOutput(config) self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) self.adapter_LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_value=None, output_attentions=False, ): # decoder uni-directional self-attention cached key/values tuple is at positions 1,2 self_attn_past_key_value = ( past_key_value[:2] if past_key_value is not None else None ) self_attention_outputs = self.attention( hidden_states, attention_mask, head_mask, output_attentions=output_attentions, past_key_value=self_attn_past_key_value, ) attention_output = self_attention_outputs[0] outputs = self_attention_outputs[ 1: ] # add self attentions if we output attention weights layer_output = self.feed_forward_chunk(attention_output) # Adapter residual = layer_output # match the dimension of layer_output # encoder_hidden_states_proj = self.adapter_proj(encoder_hidden_states) # FIXME: compute encoder_attention_mask dtype = torch.float32 extended_encoder_attention_mask = encoder_attention_mask[ :, None, None, : ] extended_encoder_attention_mask = extended_encoder_attention_mask.to( dtype=dtype ) # fp16 compatibility extended_encoder_attention_mask = ( 1.0 - extended_encoder_attention_mask ) * torch.finfo(dtype).min # print(extended_encoder_attention_mask) # print(attention_mask) # assert (extended_encoder_attention_mask == attention_mask).all() # extended_encoder_attention_mask = attention_mask cross_attention_outputs = self.adapter_crossattention( hidden_states=layer_output, encoder_hidden_states=encoder_hidden_states, # encoder_hidden_states_proj, # encoder_attention_mask=attention_mask #if not attention_mask.any() else None,#encoder_attention_mask, encoder_attention_mask=extended_encoder_attention_mask, # attention_mask, # ) cross_attention_output = cross_attention_outputs[0] ffn_output = self.adapter_feed_forward_chunk(cross_attention_output) ffn_output += residual outputs = (ffn_output,) + outputs return outputs def feed_forward_chunk(self, attention_output): attention_output_ln = self.LayerNorm(attention_output) intermediate_output = self.intermediate(attention_output_ln) layer_output = self.output(intermediate_output, attention_output) return layer_output def adapter_feed_forward_chunk(self, attention_output): attention_output_ln = self.adapter_LayerNorm(attention_output) intermediate_output = self.adapter_intermediate(attention_output_ln) layer_output = self.adapter_output( intermediate_output, attention_output ) return layer_output class ModifiedEsmSelfAttention(EsmSelfAttention): def __init__( self, config, position_embedding_type=None, kdim=None, vdim=None ): super().__init__(config, position_embedding_type) if kdim is not None: self.key = nn.Linear(kdim, self.all_head_size) if vdim is not None: self.value = nn.Linear(vdim, self.all_head_size) class ModifiedEsmAttention(EsmAttention): def __init__(self, config, kdim=None, vdim=None): super().__init__(config) self.self = ModifiedEsmSelfAttention(config, kdim=kdim, vdim=vdim) ================================================ FILE: src/byprot/models/dplm/modules/dplm_modeling_esm.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from typing import List, Optional, Tuple, Union import torch import torch.nn as nn from torch.nn import functional as F from tqdm import tqdm from transformers import AutoConfig, AutoModelForMaskedLM, AutoTokenizer from transformers.modeling_outputs import ( BaseModelOutputWithPoolingAndCrossAttentions, ) from transformers.models.esm.modeling_esm import * from byprot.models import register_model class ModifiedEsmSelfAttention(EsmSelfAttention): def forward( self, hidden_states: torch.Tensor, attention_mask: Optional[torch.FloatTensor] = None, head_mask: Optional[torch.FloatTensor] = None, encoder_hidden_states: Optional[torch.FloatTensor] = None, encoder_attention_mask: Optional[torch.FloatTensor] = None, past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None, output_attentions: Optional[bool] = False, ) -> Tuple[torch.Tensor]: mixed_query_layer = self.query(hidden_states) # If this is instantiated as a cross-attention module, the keys # and values come from an encoder; the attention mask needs to be # such that the encoder's padding tokens are not attended to. is_cross_attention = encoder_hidden_states is not None if is_cross_attention and past_key_value is not None: # reuse k,v, cross_attentions key_layer = past_key_value[0] value_layer = past_key_value[1] attention_mask = encoder_attention_mask elif is_cross_attention: key_layer = self.transpose_for_scores( self.key(encoder_hidden_states) ) value_layer = self.transpose_for_scores( self.value(encoder_hidden_states) ) attention_mask = encoder_attention_mask elif past_key_value is not None: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) key_layer = torch.cat([past_key_value[0], key_layer], dim=2) value_layer = torch.cat([past_key_value[1], value_layer], dim=2) else: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) query_layer = self.transpose_for_scores(mixed_query_layer) query_layer = query_layer * self.attention_head_size**-0.5 if self.is_decoder: past_key_value = (key_layer, value_layer) if self.position_embedding_type == "rotary": query_layer, key_layer = self.rotary_embeddings( query_layer, key_layer ) if ( self.position_embedding_type == "relative_key" or self.position_embedding_type == "relative_key_query" ): raise NotImplementedError # Mask heads if we want to if head_mask is not None: raise NotImplementedError query_layer = query_layer.contiguous() key_layer = key_layer.contiguous() value_layer = value_layer.contiguous() context_layer = F.scaled_dot_product_attention( query_layer, key_layer, value_layer, attn_mask=attention_mask, scale=1.0, ) context_layer = context_layer.permute(0, 2, 1, 3).contiguous() new_context_layer_shape = context_layer.size()[:-2] + ( self.all_head_size, ) context_layer = context_layer.view(new_context_layer_shape) # outputs = (context_layer, attention_probs) if output_attentions else (context_layer,) outputs = (context_layer,) if self.is_decoder: outputs = outputs + (past_key_value,) return outputs class ModifiedEsmAttention(EsmAttention): def __init__(self, config): nn.Module.__init__(self) self.self = ModifiedEsmSelfAttention(config) self.output = EsmSelfOutput(config) self.pruned_heads = set() self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) class ModifiedEsmLayer(EsmLayer): def __init__(self, config): nn.Module.__init__(self) self.chunk_size_feed_forward = config.chunk_size_feed_forward self.seq_len_dim = 1 self.attention = ModifiedEsmAttention(config) self.is_decoder = config.is_decoder self.add_cross_attention = config.add_cross_attention if self.add_cross_attention: if not self.is_decoder: raise RuntimeError( f"{self} should be used as a decoder model if cross attention is added" ) self.crossattention = ModifiedEsmAttention(config) self.intermediate = EsmIntermediate(config) self.output = EsmOutput(config) self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) class ModifiedEsmEncoder(EsmEncoder): def __init__(self, config): nn.Module.__init__(self) self.config = config self.layer = nn.ModuleList( [ModifiedEsmLayer(config) for _ in range(config.num_hidden_layers)] ) self.emb_layer_norm_after = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) self.gradient_checkpointing = False class ModifiedEsmModel(EsmModel): def __init__(self, config, add_pooling_layer=True): EsmPreTrainedModel.__init__(self, config) self.config = config self.embeddings = EsmEmbeddings(config) self.encoder = ModifiedEsmEncoder(config) self.pooler = EsmPooler(config) if add_pooling_layer else None self.contact_head = EsmContactPredictionHead( in_features=config.num_hidden_layers * config.num_attention_heads, bias=True, ) # Initialize weights and apply final processing self.post_init() def forward( self, input_ids: Optional[torch.Tensor] = None, attention_mask: Optional[torch.Tensor] = None, position_ids: Optional[torch.Tensor] = None, head_mask: Optional[torch.Tensor] = None, inputs_embeds: Optional[torch.Tensor] = None, encoder_hidden_states: Optional[torch.Tensor] = None, encoder_attention_mask: Optional[torch.Tensor] = None, past_key_values: Optional[List[torch.FloatTensor]] = None, use_cache: Optional[bool] = None, output_attentions: Optional[bool] = None, output_hidden_states: Optional[bool] = None, return_dict: Optional[bool] = None, ) -> Union[ Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions ]: output_attentions = ( output_attentions if output_attentions is not None else self.config.output_attentions ) output_hidden_states = ( output_hidden_states if output_hidden_states is not None else self.config.output_hidden_states ) return_dict = ( return_dict if return_dict is not None else self.config.use_return_dict ) if self.config.is_decoder: use_cache = ( use_cache if use_cache is not None else self.config.use_cache ) else: use_cache = False if input_ids is not None and inputs_embeds is not None: raise ValueError( "You cannot specify both input_ids and inputs_embeds at the same time" ) elif input_ids is not None: input_shape = input_ids.size() elif inputs_embeds is not None: input_shape = inputs_embeds.size()[:-1] else: raise ValueError( "You have to specify either input_ids or inputs_embeds" ) batch_size, seq_length = input_shape device = ( input_ids.device if input_ids is not None else inputs_embeds.device ) # past_key_values_length past_key_values_length = ( past_key_values[0][0].shape[2] if past_key_values is not None else 0 ) if attention_mask is None: attention_mask = torch.ones( ((batch_size, seq_length + past_key_values_length)), device=device, ) # We can provide a self-attention mask of dimensions [batch_size, from_seq_length, to_seq_length] # ourselves in which case we just need to make it broadcastable to all heads. extended_attention_mask: torch.Tensor = ( self.get_extended_attention_mask(attention_mask, input_shape) ) # If a 2D or 3D attention mask is provided for the cross-attention # we need to make broadcastable to [batch_size, num_heads, seq_length, seq_length] if self.config.is_decoder and encoder_hidden_states is not None: ( encoder_batch_size, encoder_sequence_length, _, ) = encoder_hidden_states.size() encoder_hidden_shape = ( encoder_batch_size, encoder_sequence_length, ) if encoder_attention_mask is None: encoder_attention_mask = torch.ones( encoder_hidden_shape, device=device ) encoder_extended_attention_mask = self.invert_attention_mask( encoder_attention_mask ) else: # encoder_extended_attention_mask = None encoder_extended_attention_mask = encoder_attention_mask # Prepare head mask if needed # 1.0 in head_mask indicate we keep the head # attention_probs has shape bsz x n_heads x N x N # input head_mask has shape [num_heads] or [num_hidden_layers x num_heads] # and head_mask is converted to shape [num_hidden_layers x batch x num_heads x seq_length x seq_length] head_mask = self.get_head_mask( head_mask, self.config.num_hidden_layers ) embedding_output = self.embeddings( input_ids=input_ids, position_ids=position_ids, attention_mask=attention_mask, inputs_embeds=inputs_embeds, past_key_values_length=past_key_values_length, ) encoder_outputs = self.encoder( embedding_output, attention_mask=extended_attention_mask, head_mask=head_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_extended_attention_mask, past_key_values=past_key_values, use_cache=use_cache, output_attentions=output_attentions, output_hidden_states=output_hidden_states, return_dict=return_dict, ) sequence_output = encoder_outputs[0] pooled_output = ( self.pooler(sequence_output) if self.pooler is not None else None ) if not return_dict: return (sequence_output, pooled_output) + encoder_outputs[1:] return BaseModelOutputWithPoolingAndCrossAttentions( last_hidden_state=sequence_output, pooler_output=pooled_output, past_key_values=encoder_outputs.past_key_values, hidden_states=encoder_outputs.hidden_states, attentions=encoder_outputs.attentions, cross_attentions=encoder_outputs.cross_attentions, ) @register_model("dplm_esm") class EsmForDPLM(EsmForMaskedLM): def __init__(self, config, dropout=0.1): tokenizer = AutoTokenizer.from_pretrained(config._name_or_path) config.hidden_dropout_prob = dropout EsmPreTrainedModel.__init__(self, config) self.esm = ModifiedEsmModel(config, add_pooling_layer=False) self.lm_head = EsmLMHead(config) self.init_weights() self.mask_id = tokenizer.mask_token_id self.pad_id = tokenizer.pad_token_id self.bos_id = tokenizer.cls_token_id self.eos_id = tokenizer.eos_token_id self.x_id = tokenizer._token_to_id["X"] self.contact_head = None self.tokenizer = tokenizer def forward( self, input_ids, attention_mask=None, inputs_embeds=None, decoder_input_ids=None, decoder_attention_mask=None, decoder_inputs_embeds=None, labels=None, output_attentions=None, output_hidden_states=None, return_dict=None, encoder_hidden_states=None, encoder_attention_mask=None, ): attention_mask = input_ids.ne(self.pad_id) outputs = self.esm( input_ids, attention_mask=attention_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_attention_mask, ) sequence_output = outputs[0] logits = self.lm_head(sequence_output) result = { "logits": logits, "last_hidden_state": sequence_output, } return result def forward_encoder(self, batch, **kwargs): return {} def get_non_special_sym_mask(self, output_tokens, partial_masks=None): non_special_sym_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.bos_id) & output_tokens.ne(self.eos_id) ) if partial_masks is not None: non_special_sym_mask &= ~partial_masks return non_special_sym_mask def initialize_output_tokens( self, batch, encoder_out, partial_masks=None, **kwargs ): tokens = batch["input_ids"] if tokens is None: raise NotImplementedError else: output_mask = self.get_non_special_sym_mask( tokens, partial_masks=partial_masks ) output_tokens = tokens.masked_fill(output_mask, self.mask_id) output_scores = torch.zeros_like(output_tokens, dtype=torch.float) return output_tokens, output_scores def forward_decoder( self, prev_decoder_out, encoder_out, need_attn_weights=False, partial_masks=None, sampling_strategy="argmax", ): output_tokens = prev_decoder_out["output_tokens"].clone() output_scores = prev_decoder_out["output_scores"].clone() step, max_step = prev_decoder_out["step"], prev_decoder_out["max_step"] temperature = prev_decoder_out["temperature"] history = prev_decoder_out["history"] output_masks = self.get_non_special_sym_mask( output_tokens, partial_masks=partial_masks ) esm_out = self.forward( input_ids=output_tokens, ) logits = esm_out["logits"] logits[..., self.mask_id] = -math.inf logits[..., self.x_id] = -math.inf if sampling_strategy == "argmax": _scores, _tokens = logits.max(-1) elif sampling_strategy == "sample": _tokens, _scores = sample_from_categorical( logits, temperature=temperature ) output_tokens.masked_scatter_(output_masks, _tokens[output_masks]) output_scores.masked_scatter_(output_masks, _scores[output_masks]) history.append(output_tokens.clone()) return dict( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, max_step=max_step, history=history, ) def generate( self, batch, tokenizer=None, max_iter=None, temperature=None, partial_masks=None, sampling_strategy="gumbel_argmax", ): tokenizer = tokenizer max_iter = max_iter temperature = temperature # 0) encoding encoder_out = self.forward_encoder(batch) # 1) initialized from all mask tokens ( initial_output_tokens, initial_output_scores, ) = self.initialize_output_tokens( batch, encoder_out=encoder_out, partial_masks=partial_masks ) prev_decoder_out = dict( output_tokens=initial_output_tokens, output_scores=initial_output_scores, output_masks=None, attentions=None, step=0, max_step=max_iter, history=[initial_output_tokens.clone()], temperature=temperature, ) prev_decoder_out["output_masks"] = self.get_non_special_sym_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) for step in tqdm(range(max_iter), desc="Decoding"): # predict with torch.no_grad(): decoder_out = self.forward_decoder( prev_decoder_out=prev_decoder_out, encoder_out=encoder_out, partial_masks=partial_masks, sampling_strategy=sampling_strategy, ) output_tokens = decoder_out["output_tokens"] output_scores = decoder_out["output_scores"] prev_decoder_out.update( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, history=decoder_out["history"], ) decoder_out = prev_decoder_out return decoder_out["output_tokens"], decoder_out["output_scores"] def sample_from_categorical(logits=None, temperature=1.0): if temperature: dist = torch.distributions.Categorical(logits=logits.div(temperature)) tokens = dist.sample() scores = dist.log_prob(tokens) else: scores, tokens = logits.log_softmax(dim=-1).max(dim=-1) return tokens, scores ================================================ FILE: src/byprot/models/dplm/modules/gvp_transformer_encoder.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import esm import torch from torch import nn from byprot.models import register_model @register_model("gvp_trans_encoder") class GVPTransformerEncoderWrapper(nn.Module): def __init__(self, freeze=True, output_logits=False, d_model=512): super().__init__() _model, _alphabet = esm.pretrained.esm_if1_gvp4_t16_142M_UR50() self.encoder = _model.encoder if freeze: for param in self.encoder.parameters(): param.requires_grad_(False) alphabet = esm.data.Alphabet.from_architecture("ESM-1b") if output_logits: self.embed_dim = self.encoder.embed_tokens.embedding_dim self.out_proj = nn.Linear(self.embed_dim, len(alphabet)) def forward(self, batch, output_logits=False, **kwargs): return_all_hiddens = False padding_mask = torch.isnan(batch["coords"][:, :, 0, 0]) coords = batch["coords"][:, :, :3, :] confidence = torch.ones(batch["coords"].shape[0:2]).to(coords.device) encoder_out = self.encoder( coords, padding_mask, confidence, return_all_hiddens=return_all_hiddens, ) # encoder_out['encoder_out'][0] = torch.transpose(encoder_out['encoder_out'][0], 0, 1) encoder_out["feats"] = encoder_out["encoder_out"][0].transpose(0, 1) if output_logits: logits = self.out_proj(encoder_out["feats"]) return logits, encoder_out else: return encoder_out ================================================ FILE: src/byprot/models/dplm2/__init__.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from .dplm2 import MultimodalDiffusionProteinLanguageModel from .dplm2_bit import DPLM2Bit from .modules.dplm2_bit_modeling_esm import EsmForDPLM2Bit from .modules.dplm2_modeling_esm import EsmForDPLM2 ================================================ FILE: src/byprot/models/dplm2/dplm2.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math import os from dataclasses import dataclass, field from typing import Optional import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf from byprot.datamodules.dataset.tokenized_protein import DPLM2Tokenizer from byprot.models.dplm2.modules.dplm2_modeling_esm import * from byprot.models.utils import * def exists(obj): return obj is not None @dataclass class SelfMixupConfig: enable: bool = field(default=False) with_original_loss: bool = field(default=False) @dataclass class TokenizerConfig: vocab_file: str = field(default="airkingbd/dplm2_650m") # amino acid tokens (33) + struct tokens (8192) + 4 special struct tokens vocab_size: int = field(default=33 + 8192 + 4) @dataclass class StructTokenizerConfig: enable: bool = field(default=True) exp_path: str = field(default="airkingbd/struct_tokenizer") @dataclass class DPLM2Config: ## DPLM model num_diffusion_timesteps: int = field(default=500) tokenizer: TokenizerConfig = field(default=TokenizerConfig()) lora: LoRAConfig = field(default=LoRAConfig()) net: NetConfig = field(default=NetConfig()) gradient_ckpt: bool = field(default=False) ## multi-modal training training_stage: str = field(default="train_from_dplm") self_mixup: SelfMixupConfig = field( default=SelfMixupConfig() ) # training strategy single_modality_ratio: float = field(default=0.25) folding_loss_ratio: float = field(default=0.25) inverse_folding_loss_ratio: float = field(default=0.25) joint_loss_ratio: float = field(default=0.25) independent_loss_ratio: float = field(default=0.0) ## struct tokenizer struct_tokenizer: StructTokenizerConfig = field( default=StructTokenizerConfig() ) @register_model("dplm2") class MultimodalDiffusionProteinLanguageModel(nn.Module): _default_cfg = DPLM2Config() def __init__(self, cfg, net=None): super().__init__() self._update_cfg(cfg) self.tokenizer = DPLM2Tokenizer.from_pretrained( self.cfg.tokenizer.vocab_file ) self._prepare_special_token() self.cfg.tokenizer.vocab_size = len(self.tokenizer) if net is None: self.net = get_net_dplm2(self.cfg) else: if "bit" in net.config.dplm_type: raise ValueError( f"Bit model is not supported in this DPLM-2 class, please use DPLM-2 bit model instead." ) self.net = net if self.cfg.gradient_ckpt: self.net.supports_gradient_checkpointing = True self.net.gradient_checkpointing_enable() self._struct_tokenizer = None def _update_cfg(self, cfg): self.cfg = OmegaConf.merge(self._default_cfg, cfg) @property def special_token_list(self): return [ self.aa_bos_id, self.aa_eos_id, self.aa_mask_id, self.struct_bos_id, self.struct_eos_id, self.struct_mask_id, self.pad_id, self.aa_unk_id, self.struct_unk_id, self.aa_X_id, self.aa_B_id, self.aa_U_id, self.aa_Z_id, self.aa_O_id, ] @classmethod def from_pretrained( cls, net_name, cfg_override={}, net_override={}, from_huggingface=True ): if not from_huggingface: # Load model checkpoint from local if you pretrain a DPLM with this repo # The net_name should be like: # ${name}/checkpoints/last.ckpt # and there should be .hydra/config.yaml in the ${name} directory that is automatically generated during training. from collections import OrderedDict from pathlib import Path from byprot.utils.config import load_yaml_config cfg_path = Path(net_name).parents[1] cfg_path = Path(cfg_path, ".hydra", "config.yaml") cfg = load_yaml_config(str(cfg_path)) OmegaConf.resolve(cfg) cfg = cfg.model cfg.net.pretrain = False cfg.pop("_target_") model = cls(cfg) pretrained_state_dict = torch.load( net_name, map_location=torch.device("cpu") )["state_dict"] new_pretrained_state_dict = OrderedDict() # remove the module prefix "model." for k, v in pretrained_state_dict.items(): new_pretrained_state_dict[k[6:]] = v missing, unexpected = model.load_state_dict( new_pretrained_state_dict, strict=False ) print( f"Restored from {net_name} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") return model else: # Load DPLM-2 model checkpoint from huggingface dplm_type = AutoConfig.from_pretrained(net_name).dplm_type net_class = get_net_class(dplm_type) net = net_class.from_pretrained(net_name, **net_override) return cls(cfg=cfg_override, net=net) def _prepare_special_token(self): self.aa_bos_id = self.tokenizer._token_to_id[""] self.aa_eos_id = self.tokenizer._token_to_id[""] self.aa_mask_id = self.tokenizer._token_to_id[""] self.struct_bos_id = self.tokenizer._token_to_id[""] self.struct_eos_id = self.tokenizer._token_to_id[""] self.struct_mask_id = self.tokenizer._token_to_id[""] self.pad_id = self.tokenizer._token_to_id[""] self.aa_unk_id = self.tokenizer._token_to_id[""] self.struct_unk_id = self.tokenizer._token_to_id[""] self.aa_X_id = self.tokenizer._token_to_id["X"] self.aa_B_id = self.tokenizer._token_to_id["B"] self.aa_U_id = self.tokenizer._token_to_id["U"] self.aa_Z_id = self.tokenizer._token_to_id["Z"] self.aa_O_id = self.tokenizer._token_to_id["O"] self.aa_type = 1 self.struct_type = 0 self.pad_type = 2 @property def device(self): try: device = next(self.parameters()).device except: device = torch.device("cpu") return device @property def struct_tokenizer(self): if not exists(self._struct_tokenizer): print(f"Loading struct_tokenizer...") self._struct_tokenizer = get_struct_tokenizer( self.cfg.struct_tokenizer.exp_path ).to(self.device) return self._struct_tokenizer def q_sample(self, x_0, t, type_ids, maskable_mask): aa_position = type_ids == self.aa_type struct_position = type_ids == self.struct_type # sample x_t u = torch.rand_like(x_0, dtype=torch.float) t_mask = ( u < (t / self.cfg.num_diffusion_timesteps)[:, None] ) & maskable_mask x_t = x_0.masked_fill(t_mask & aa_position, self.aa_mask_id) x_t = x_t.masked_fill(t_mask & struct_position, self.struct_mask_id) return x_t, t_mask def get_modality_type(self, input_ids): input_mask = input_ids.ne(self.pad_id) # HACK: all amino acid token id < 33, while all struct token id >= 33 # 0 stands for struct, 1 stands for aa modality_type = ((input_ids < 33) & input_mask).int() # 2 stands for padding modality_type[~input_mask] = self.pad_type return modality_type def forward(self, input_ids, **kwargs): input_mask = input_ids.ne(self.pad_id) type_ids = self.get_modality_type(input_ids) L = input_ids.shape[1] num_heads = self.net.config.num_attention_heads # [B, num_heads, L+2, L+2] attention_bias: torch.FloatType = ( self.net.esm.get_extended_attention_mask( input_mask, input_ids.shape ).repeat(1, num_heads, L, 1) ) # -inf for padding positions, 0 otherwise if "single_modality" in kwargs: single_modality_index = kwargs["single_modality"] struct_attention_bias, aa_attention_bias = attention_bias.chunk( 2, dim=-2 ) struct_attention_bias[ single_modality_index, :, :, L // 2 : ] = -math.inf aa_attention_bias[ single_modality_index, :, :, : L // 2 ] = -math.inf attention_bias = torch.concat( [struct_attention_bias, aa_attention_bias], dim=-2 ) # [B, L, d_model] input_embeds = self.net.esm.embeddings( input_ids, attention_mask=input_mask ) outputs = self.net( input_ids=input_ids, inputs_embeds=input_embeds, attention_mask=attention_bias, type_ids=type_ids, ) return outputs def self_mixup(self, x_t, single_modality_index): # 1. first part: masked prediction with torch.no_grad(): model_outputs = self.forward( input_ids=x_t, single_modality=single_modality_index ) lm_logits = model_outputs["logits"] # 2. mixup: alternate mask with model prediction and gt with masks prev_input_ids = x_t non_special_sym_mask = self.get_non_special_symbol_mask(prev_input_ids) model_pred = torch.where( non_special_sym_mask, lm_logits.argmax(dim=-1), prev_input_ids ) mixup_xt, mixup_loss_mask = self.get_mixup_xt( input_ids=prev_input_ids, model_pred=model_pred, non_special_sym_mask=non_special_sym_mask, ) # # 3. second part: denoising + masked prediction model_outputs = self.forward( input_ids=mixup_xt, single_modality=single_modality_index ) return model_outputs, mixup_loss_mask def get_mixup_xt(self, input_ids, model_pred, non_special_sym_mask=None): gt_mask = ( input_ids.ne(self.aa_mask_id) & input_ids.ne(self.struct_mask_id) & non_special_sym_mask ) type_ids = self.get_modality_type(input_ids) mixup_input_ids = model_pred # replace gt positions with mask mixup_input_ids = mixup_input_ids.masked_fill( gt_mask & (type_ids == self.aa_type), self.aa_mask_id ) mixup_input_ids = mixup_input_ids.masked_fill( gt_mask & (type_ids == self.struct_type), self.struct_mask_id ) mixup_loss_mask = non_special_sym_mask return mixup_input_ids, mixup_loss_mask def construct_x_t(self, struct_target, aatype_target): bsz = struct_target.size(0) # seperately add noise to struct and aa struct_t = torch.randint( 1, self.cfg.num_diffusion_timesteps + 1, (bsz,), device=struct_target.device, ) aatype_t = torch.randint( 1, self.cfg.num_diffusion_timesteps + 1, (bsz,), device=aatype_target.device, ) assert ( self.cfg.single_modality_ratio + self.cfg.folding_loss_ratio + self.cfg.inverse_folding_loss_ratio + self.cfg.joint_loss_ratio + self.cfg.independent_loss_ratio == 1.0 ) split_sizes = [ int(bsz * self.cfg.single_modality_ratio), int(bsz * self.cfg.folding_loss_ratio), int(bsz * self.cfg.inverse_folding_loss_ratio), int(bsz * self.cfg.independent_loss_ratio), int(bsz * self.cfg.joint_loss_ratio), ] split_sizes[-1] = bsz - sum(split_sizes[:-1]) rand_index = torch.randperm(bsz).type_as(struct_target) int_index_list = torch.split(rand_index, split_sizes) bool_index_list = [] for int_index in int_index_list: bool_index = torch.zeros(bsz, dtype=torch.bool).to( struct_target.device ) bool_index[int_index] = True bool_index_list.append(bool_index) ( single_modality_index, folding_index, inverse_folding_index, independent_index, joint_index, ) = bool_index_list struct_t = struct_t.masked_fill(inverse_folding_index, 0) struct_type_id = self.get_modality_type(struct_target) struct_x_t, struct_loss_mask = self.q_sample( struct_target, struct_t, struct_type_id, maskable_mask=self.get_non_special_symbol_mask(struct_target), ) aatype_t = aatype_t.masked_fill(folding_index, 0) aatype_t = aatype_t.masked_scatter(joint_index, struct_t[joint_index]) aa_type_id = self.get_modality_type(aatype_target) aatype_x_t, aa_loss_mask = self.q_sample( aatype_target, aatype_t, aa_type_id, maskable_mask=self.get_non_special_symbol_mask(aatype_target), ) return ( {"t": struct_t, "x_t": struct_x_t, "mask": struct_loss_mask}, {"t": aatype_t, "x_t": aatype_x_t, "mask": aa_loss_mask}, single_modality_index, ) def compute_loss(self, batch, weighting="linear"): struct_target = batch["struct_tokens"]["targets"] aatype_target = batch["aatype_tokens"]["targets"] ( struct_noised, aatype_noised, single_modality_index, ) = self.construct_x_t(struct_target, aatype_target) x_t = torch.concat([struct_noised["x_t"], aatype_noised["x_t"]], dim=1) if self.cfg.self_mixup.enable: model_outputs, mixup_loss_mask = self.self_mixup( x_t=x_t, single_modality_index=single_modality_index, ) ( struct_noised["mask"], aatype_noised["mask"], ) = mixup_loss_mask.chunk(2, dim=1) else: model_outputs = self.forward( input_ids=x_t, single_modality=single_modality_index, ) struct_logits, aatype_logits = model_outputs["logits"].chunk(2, dim=1) num_timesteps = self.cfg.num_diffusion_timesteps struct_weight = { "linear": ( num_timesteps - (struct_noised["t"] - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(struct_noised["t"]), }[weighting][:, None].float() / num_timesteps struct_weight = struct_weight.expand(struct_target.size()) aatype_weight = { "linear": ( num_timesteps - (aatype_noised["t"] - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(aatype_noised["t"]), }[weighting][:, None].float() / num_timesteps aatype_weight = aatype_weight.expand(aatype_target.size()) return ( { "aatype": aatype_logits, "struct": struct_logits, }, # model pred logits { "aatype": aatype_target, "struct": struct_target, }, # training targets { # training loss mask "aatype": aatype_noised["mask"], "struct": struct_noised["mask"], }, { "aatype": aatype_weight, "struct": struct_weight, }, # training loss weight ) def forward_encoder(self, input_tokens, **kwargs): return {} def initialize_output_tokens( self, input_tokens, partial_masks=None, **kwargs ): type_ids = self.get_modality_type(input_tokens) output_mask = self.get_non_special_symbol_mask( input_tokens, partial_masks=partial_masks ) # fill the aatype part and struct part with specialized mask token aa_position = type_ids.eq(self.aa_type) & output_mask struct_position = type_ids.eq(self.struct_type) & output_mask output_tokens = input_tokens.masked_fill(aa_position, self.aa_mask_id) output_tokens = output_tokens.masked_fill( struct_position, self.struct_mask_id ) output_scores = torch.zeros_like(output_tokens, dtype=torch.float) return output_tokens, output_scores def forward_decoder( self, prev_decoder_out, need_attn_weights=False, partial_masks=None, sampling_strategy="annealing@2.2:1.0", ): output_tokens = prev_decoder_out["output_tokens"].clone() output_scores = prev_decoder_out["output_scores"].clone() step, max_step = prev_decoder_out["step"], prev_decoder_out["max_step"] temperature = prev_decoder_out["temperature"] history = prev_decoder_out["history"] output_masks = self.get_non_special_symbol_mask( output_tokens, partial_masks=partial_masks ) net_out = self.forward(input_ids=output_tokens) logits = net_out["logits"].log_softmax(dim=-1) attentions = net_out["attentions"] if need_attn_weights else None if logits.dtype != output_scores.dtype: logits = logits.type_as(output_scores) type_ids = self.get_modality_type(output_tokens) aa_position = type_ids.eq(self.aa_type) & output_masks struct_position = type_ids.eq(self.struct_type) & output_masks indices_aa = torch.where(aa_position) indices_struct = torch.where(struct_position) # HACK: all amino acid token id < 33, while all struct token id >= 33 logits[indices_aa[0], indices_aa[1], 33:] = -math.inf logits[indices_struct[0], indices_struct[1], :33] = -math.inf logits[..., self.special_token_list] = -math.inf logits = top_k_top_p_filtering(logits, top_p=0.95) if sampling_strategy == "argmax": _scores, _tokens = logits.max(-1) elif sampling_strategy == "gumbel_argmax": noise_scale = temperature _tokens, _scores = stochastic_sample_from_categorical( logits, temperature=0.0, noise_scale=noise_scale ) _tokens.masked_scatter_( ~output_masks, output_tokens[~output_masks] ) elif sampling_strategy.startswith("annealing"): max_temp, min_temp = map( float, sampling_strategy.split("@")[1].split(":") ) rate = 1 - step / max_step temperature = min_temp + (max_temp - min_temp) * rate _tokens, _scores = sample_from_categorical( logits, temperature=temperature ) else: _tokens, _scores = sample_from_categorical( logits, temperature=temperature ) output_tokens.masked_scatter_(output_masks, _tokens[output_masks]) output_scores.masked_scatter_(output_masks, _scores[output_masks]) history.append(output_tokens.clone()) return dict( output_tokens=output_tokens, output_scores=output_scores, attentions=attentions, step=step + 1, max_step=max_step, history=history, hidden_states=net_out["last_hidden_state"], ) def get_non_special_symbol_mask(self, output_tokens, partial_masks=None): non_special_symbol_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.aa_bos_id) & output_tokens.ne(self.aa_eos_id) & output_tokens.ne(self.struct_bos_id) & output_tokens.ne(self.struct_eos_id) ) if partial_masks is not None: non_special_symbol_mask &= ~partial_masks return non_special_symbol_mask def _reparam_decoding( self, output_tokens, output_scores, cur_tokens, cur_scores, decoding_strategy, xt_neq_x0, type_ids, non_special_sym_mask, t, max_step, ): def _reparam_process( output_tokens, output_scores, cur_tokens, cur_scores, xt_neq_x0, noise, non_special_sym_mask, ): """This function is used to perform reparameterized decoding. output_tokens: [B, N] output_scores: [B, N] cur_tokens: [B, N] cur_scores: [B, N] xt_neq_x0: equivalent to not_b_t [B, N] non_special_sym_mask: [B, N] noise: either [B, N] or scalar (if using the mask noise) """ # decoding_strategy needs to take the form of "reparam---" _, condition, topk_mode, schedule = decoding_strategy.split("-") # first set the denoising rate according to the schedule if schedule == "linear": rate = 1 - t / max_step elif schedule == "cosine": rate = np.cos(t / max_step * np.pi * 0.5) else: raise NotImplementedError # compute the cutoff length for denoising top-k positions cutoff_len = ( non_special_sym_mask.sum(1, keepdim=True).type_as( output_scores ) * rate ).long() # set the scores of special symbols to a large value so that they will never be selected _scores_for_topk = cur_scores.masked_fill( ~non_special_sym_mask, 1000.0 ) # the top-k selection can be done in two ways: stochastic by injecting Gumbel noise or deterministic if topk_mode.startswith("stochastic"): noise_scale = float(topk_mode.replace("stochastic", "")) lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=True, temp=noise_scale * rate, ) elif topk_mode == "deterministic": lowest_k_mask = topk_masking( _scores_for_topk, cutoff_len, stochastic=False ) elif topk_mode == "positionprior": lowest_k_mask_1 = topk_masking_prior( _scores_for_topk, cutoff_len, stochastic=False ) lowest_k_mask_2 = topk_masking_prior( _scores_for_topk, cutoff_len, stochastic=False ) lowest_k_mask = lowest_k_mask_1 | lowest_k_mask_2 else: raise NotImplementedError # Various choices to generate v_t := [v1_t, v2_t]. # Note that # v1_t governs the outcomes of tokens where b_t = 1, # v2_t governs the outcomes of tokens where b_t = 0. # #### the `uncond` mode #### # In our reparameterized decoding, # both v1_t and v2_t can be fully determined by the current token scores . # #### the `cond` mode #### # However, we can also impose some conditional constraints on v1_t so that # the decoding can be performed in a more conservative manner. # For example, we can set v1_t = 0 only when # (the newly output tokens are the same as previous denoised results, AND # the current token score becomes lower, AND # the current token score is not in the top-k share among all tokens). if condition == "cond": not_v1_t = ( (cur_tokens == output_tokens) & (cur_scores < output_scores) & lowest_k_mask ) elif condition == "uncond": not_v1_t = lowest_k_mask else: raise NotImplementedError # for b_t = 0, the token is set to noise if it is in the lowest k scores. not_v2_t = lowest_k_mask last_mask_position = xt_neq_x0 masked_to_noise = (~xt_neq_x0 & not_v1_t) | (xt_neq_x0 & not_v2_t) if isinstance(noise, torch.Tensor): output_tokens.masked_scatter_( masked_to_noise, noise[masked_to_noise] ) elif isinstance(noise, (int, float)): output_tokens.masked_fill_(masked_to_noise, noise) else: raise NotImplementedError( "noise should be either a tensor or a scalar" ) output_scores.masked_fill_(masked_to_noise, -math.inf) masked_to_x0 = xt_neq_x0 & ~not_v2_t output_tokens.masked_scatter_( masked_to_x0, cur_tokens[masked_to_x0] ) output_scores.masked_scatter_( masked_to_x0, cur_scores[masked_to_x0] ) assert ((masked_to_x0 & last_mask_position) == masked_to_x0).all() # b_{t} = (b_{t+1} & u_t) | v_t # For convenience, save the NOT of b_t for the next iteration # NOT_b_{t} = (NOT_b_{t+1} | not_v1_t) & not_v2_t # # # When condition is 'uncond', the not_v1_t is equal to not_v2_t, the new_xt_neq_x0 is always equal to not_v1/v2_t (?) new_xt_neq_x0 = (xt_neq_x0 | not_v1_t) & not_v2_t assert (new_xt_neq_x0 == not_v2_t).all() return new_xt_neq_x0, output_tokens, output_scores aa_position = type_ids.eq(self.aa_type) & non_special_sym_mask struct_position = type_ids.eq(self.struct_type) & non_special_sym_mask new_xt_neq_x0 = xt_neq_x0.clone() new_xt_neq_x0_aa = new_xt_neq_x0.fill_(False) new_xt_neq_x0_struct = new_xt_neq_x0.fill_(False) if aa_position.any(): new_xt_neq_x0_aa, output_tokens, output_scores = _reparam_process( output_tokens=output_tokens, output_scores=output_scores, cur_tokens=cur_tokens, cur_scores=cur_scores, xt_neq_x0=xt_neq_x0 & aa_position, noise=self.aa_mask_id, non_special_sym_mask=aa_position, ) if struct_position.any(): ( new_xt_neq_x0_struct, output_tokens, output_scores, ) = _reparam_process( output_tokens=output_tokens, output_scores=output_scores, cur_tokens=cur_tokens, cur_scores=cur_scores, xt_neq_x0=xt_neq_x0 & struct_position, noise=self.struct_mask_id, non_special_sym_mask=struct_position, ) new_xt_neq_x0 = new_xt_neq_x0_aa | new_xt_neq_x0_struct return new_xt_neq_x0, output_tokens, output_scores def generate( self, input_tokens, max_iter=None, temperature=1.0, partial_masks=None, unmasking_strategy="stochastic1.0", # [stochastic{temperature}, deterministic] sampling_strategy="annealing@2.0:0.1", ): self.eval() max_iter = max_iter temperature = temperature # 0) encoding encoder_out = self.forward_encoder(input_tokens) # 1) initialized from all mask tokens ( initial_output_tokens, initial_output_scores, ) = self.initialize_output_tokens( input_tokens, encoder_out=encoder_out, partial_masks=partial_masks ) prev_decoder_out = dict( output_tokens=initial_output_tokens, output_scores=initial_output_scores, output_masks=None, attentions=None, step=0, max_step=max_iter, history=[initial_output_tokens.clone()], temperature=temperature, type_ids=self.get_modality_type(initial_output_tokens), ) prev_decoder_out["output_masks"] = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) for step in tqdm(range(max_iter), desc="Decoding"): # 2.1: predict with torch.no_grad(): decoder_out = self.forward_decoder( prev_decoder_out=prev_decoder_out, partial_masks=partial_masks, sampling_strategy=sampling_strategy, ) output_tokens = decoder_out["output_tokens"] output_scores = decoder_out["output_scores"] # 2.2: re-mask skeptical parts of low confidence non_special_sym_mask = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) ( output_masks, result_tokens, result_scores, ) = self._reparam_decoding( output_tokens=prev_decoder_out["output_tokens"].clone(), output_scores=prev_decoder_out["output_scores"].clone(), cur_tokens=output_tokens.clone(), cur_scores=output_scores.clone(), decoding_strategy=f"reparam-uncond-{unmasking_strategy}-linear", xt_neq_x0=prev_decoder_out["output_masks"], type_ids=prev_decoder_out["type_ids"].clone(), non_special_sym_mask=non_special_sym_mask, t=step + 1, max_step=max_iter, ) prev_decoder_out.update(output_masks=output_masks) output_tokens = result_tokens output_scores = result_scores prev_decoder_out.update( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, history=decoder_out["history"], ) decoder_out = prev_decoder_out return { "output_tokens": decoder_out["output_tokens"], } ================================================ FILE: src/byprot/models/dplm2/dplm2_bit.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math import os from collections import OrderedDict from dataclasses import dataclass, field import torch import torch.nn as nn from einops import reduce from byprot.datamodules.dataset.tokenized_protein import DPLM2Tokenizer from byprot.models.dplm2.dplm2 import DPLM2Config from byprot.models.dplm2.dplm2 import ( MultimodalDiffusionProteinLanguageModel as DPLM2, ) from byprot.models.dplm2.modules.dplm2_modeling_esm import * from byprot.models.utils import * @dataclass class BitConfig: load_from_pretrained: bool = field(default=False) load_path: str = field(default="") # quantized feature is a 13-dimensional vector, resulting in 2^13 struct tokens codebook_embed_dim: int = field(default=13) @dataclass class DPLM2BitConfig(DPLM2Config): ## bit dplm2 config bit: BitConfig = field(default=BitConfig()) @register_model("dplm2_bit") class DPLM2Bit(DPLM2): _default_cfg = DPLM2BitConfig() def __init__(self, cfg, net=None): nn.Module.__init__(self) self._update_cfg(cfg) self.tokenizer = DPLM2Tokenizer.from_pretrained( self.cfg.tokenizer.vocab_file ) self._struct_tokenizer = None # binary classification for each dimension of quant feature self.cfg.bit.codebook_embed_dim = ( self.struct_tokenizer.codebook_embed_dim ) if net is None: self.net = get_net_dplm2_bit(self.cfg) else: if "bit" not in net.config.dplm_type: raise ValueError( f"The loaded net is not a bit model, which can not be loaded by DPLM2Bit." ) self.net = net self._prepare_special_token() if self.cfg.gradient_ckpt: self.net.supports_gradient_checkpointing = True self.net.gradient_checkpointing_enable() if self.cfg.bit.load_from_pretrained: pretrained_state_dict = torch.load( self.cfg.bit.load_path, map_location=torch.device("cpu") )["state_dict"] new_pretrained_state_dict = OrderedDict() # remove the module prefix "model." for k, v in pretrained_state_dict.items(): new_pretrained_state_dict[k[6:]] = v self.load_state_dict(new_pretrained_state_dict, strict=True) print( f"Successfully load pretrained dplm2 bit model from {self.cfg.bit.load_path}!" ) def _prepare_special_token(self): super()._prepare_special_token() # HACK: struct tokens and amino acid tokens are in the same vocabulary, # there are 33 amino acid tokens, 3 special struct tokens (bos, eos, unk) # so the first index of normal struct token is 36 self.struct_vocab_offset = 36 def forward(self, input_ids, **kwargs): input_mask = input_ids.ne(self.pad_id) type_ids = self.get_modality_type(input_ids) L = input_ids.shape[1] num_heads = self.net.config.num_attention_heads # [B, num_heads, L+2, L+2] attention_bias: torch.FloatType = ( self.net.esm.get_extended_attention_mask( input_mask, input_ids.shape ).repeat(1, num_heads, L, 1) ) # -inf for padding positions, 0 otherwise if "single_modality" in kwargs: single_modality_index = kwargs["single_modality"] struct_attention_bias, aa_attention_bias = attention_bias.chunk( 2, dim=-2 ) struct_attention_bias[ single_modality_index, :, :, L // 2 : ] = -math.inf aa_attention_bias[ single_modality_index, :, :, : L // 2 ] = -math.inf attention_bias = torch.concat( [struct_attention_bias, aa_attention_bias], dim=-2 ) ######## construct the input embedding # [B, L, d_model] input_struct_ids, input_aatype_ids = input_ids.chunk(2, dim=1) input_struct_mask, input_aatype_mask = input_mask.chunk(2, dim=1) input_aatype_embeds = self.net.esm.embeddings( input_aatype_ids, attention_mask=input_aatype_mask ) input_struct_embeds = torch.zeros_like(input_aatype_embeds) quant = self.struct_tokenizer.quantize.get_codebook_entry( input_struct_ids - self.struct_vocab_offset ) input_struct_embeds = self.net.quant2emb(quant).float() input_struct_embeds[:, 0] = self.net.struct_bos_emb eos_position = input_struct_ids == self.struct_eos_id input_struct_embeds[eos_position] = self.net.struct_eos_emb mask_position = input_struct_ids == self.struct_mask_id input_struct_embeds[mask_position] = self.net.struct_mask_emb input_embeds = torch.concat( [input_struct_embeds, input_aatype_embeds], dim=1 ) outputs = self.net( input_ids=input_ids, inputs_embeds=input_embeds, attention_mask=attention_bias, output_hidden_states=True, type_ids=type_ids, ) return outputs def compute_loss(self, batch, weighting="linear"): struct_target = batch["struct_tokens"]["targets"] aatype_target = batch["aatype_tokens"]["targets"] bsz, seq_len = struct_target.shape ( struct_noised, aatype_noised, single_modality_index, ) = self.construct_x_t(struct_target, aatype_target) x_t = torch.concat([struct_noised["x_t"], aatype_noised["x_t"]], dim=1) if self.cfg.self_mixup.enable: model_outputs, mixup_loss_mask = self.self_mixup( x_t, single_modality_index, bsz, seq_len ) ( struct_noised["mask"], aatype_noised["mask"], ) = mixup_loss_mask.chunk(2, dim=1) else: model_outputs = self.forward( input_ids=x_t, single_modality=single_modality_index, ) aatype_logits = model_outputs["aatype_logits"] struct_logits = model_outputs["struct_logits"].reshape( bsz, seq_len, -1, 2 ) num_timesteps = self.cfg.num_diffusion_timesteps struct_weight = { "linear": ( num_timesteps - (struct_noised["t"] - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(struct_noised["t"]), }[weighting][:, None].float() / num_timesteps struct_target = ( self.struct_tokenizer.quantize.get_codebook_entry( struct_target - self.struct_vocab_offset ) > 0 ).long() assert struct_target.shape == struct_logits.shape[:3] struct_weight = struct_weight[:, :, None].expand(struct_target.size()) aatype_weight = { "linear": ( num_timesteps - (aatype_noised["t"] - 1) ), # num_timesteps * (1 - (t-1)/num_timesteps) "constant": num_timesteps * torch.ones_like(aatype_noised["t"]), }[weighting][:, None].float() / num_timesteps aatype_weight = aatype_weight.expand(aatype_target.size()) return ( { "aatype": aatype_logits, "struct": struct_logits, }, # model pred logits { "aatype": aatype_target, "struct": struct_target, }, # training targets { # training loss mask "aatype": aatype_noised["mask"], "struct": struct_noised["mask"], }, { "aatype": aatype_weight, "struct": struct_weight, }, # training loss weight ) def self_mixup(self, x_t, single_modality_index, bsz, seq_len): # 1. first part: masked prediction with torch.no_grad(): model_outputs = self.forward( input_ids=x_t, single_modality=single_modality_index ) aatype_logits = model_outputs["aatype_logits"] struct_logits = model_outputs["struct_logits"].reshape( bsz, seq_len, -1, 2 ) # 2. mixup: alternate mask with model prediction and gt with masks prev_input_ids = x_t non_special_sym_mask = self.get_non_special_symbol_mask(prev_input_ids) model_pred = torch.where( non_special_sym_mask, self.sample_from_logits( aatype_logits, struct_logits, temperature=0.0 ), prev_input_ids, ) mixup_xt, mixup_loss_mask = self.get_mixup_xt( input_ids=prev_input_ids, model_pred=model_pred, non_special_sym_mask=non_special_sym_mask, ) # # 3. second part: denoising + masked prediction model_outputs = self.forward( input_ids=mixup_xt, single_modality=single_modality_index ) return model_outputs, mixup_loss_mask def forward_decoder( self, prev_decoder_out, need_attn_weights=False, partial_masks=None, sampling_strategy="annealing@1.1:0.1", ): output_tokens = prev_decoder_out["output_tokens"].clone() output_scores = prev_decoder_out["output_scores"].clone() step, max_step = prev_decoder_out["step"], prev_decoder_out["max_step"] temperature = prev_decoder_out["temperature"] history = prev_decoder_out["history"] output_masks = self.get_non_special_symbol_mask( output_tokens, partial_masks=partial_masks ) net_out = self.forward(input_ids=output_tokens) aatype_logits = net_out["aatype_logits"] struct_logits = net_out["struct_logits"] attentions = net_out["attentions"] if need_attn_weights else None if aatype_logits.dtype != output_scores.dtype: aatype_logits = aatype_logits.type_as(output_scores) struct_logits = struct_logits.type_as(output_scores) bsz, seq_len = aatype_logits.shape[:2] aatype_logits[:, :, :4] = -math.inf aatype_logits[:, :, 24:] = -math.inf struct_logits = struct_logits.reshape(bsz, seq_len, -1, 2) aatype_logits = top_k_top_p_filtering(aatype_logits, top_p=0.95) if sampling_strategy == "argmax": _tokens, _scores = self.sample_from_logits( aatype_logits, struct_logits, temperature=0.0 ) elif sampling_strategy.startswith("annealing"): max_temp, min_temp = map( float, sampling_strategy.split("@")[1].split(":") ) rate = 1 - step / max_step temperature = min_temp + (max_temp - min_temp) * rate _tokens, _scores = self.sample_from_logits( aatype_logits, struct_logits, temperature=temperature ) else: _tokens, _scores = self.sample_from_logits( aatype_logits, struct_logits, temperature=temperature ) output_tokens.masked_scatter_(output_masks, _tokens[output_masks]) output_scores.masked_scatter_(output_masks, _scores[output_masks]) history.append(output_tokens.clone()) return dict( output_tokens=output_tokens, output_scores=output_scores, attentions=attentions, # [B, L, H, T, T] step=step + 1, max_step=max_step, history=history, all_hidden_states=net_out["all_hidden_states"], ) def sample_from_logits( self, aatype_logits, struct_logits, temperature=1.0 ): _aatype_tokens, _aatype_scores = sample_from_categorical( aatype_logits, temperature=temperature ) _struct_bits, _struct_scores = sample_from_categorical( struct_logits, temperature=temperature ) _struct_tokens = reduce( _struct_bits * self.struct_tokenizer.quantize.mask.int(), "b n c -> b n", "sum", ) _struct_scores = _struct_scores.sum(dim=-1) # IMPORTANT: add struct_vocab_offset to _struct_tokens _struct_tokens += self.struct_vocab_offset assert _struct_tokens.shape == _struct_scores.shape _tokens = torch.concat([_struct_tokens, _aatype_tokens], dim=1) _scores = torch.concat([_struct_scores, _aatype_scores], dim=1) return _tokens, _scores def generate( self, input_tokens, max_iter=None, temperature=None, partial_masks=None, unmasking_strategy="stochastic1.0", # [stochastic{temperature}, deterministic] sampling_strategy="annealing@1.1:0.1", ): self.eval() max_iter = max_iter temperature = temperature # 0) encoding encoder_out = self.forward_encoder(input_tokens) # 1) initialized from all mask tokens ( initial_output_tokens, initial_output_scores, ) = self.initialize_output_tokens( input_tokens, encoder_out=encoder_out, partial_masks=partial_masks ) prev_decoder_out = dict( output_tokens=initial_output_tokens, output_scores=initial_output_scores, output_masks=None, attentions=None, step=0, max_step=max_iter, history=[initial_output_tokens.clone()], temperature=temperature, type_ids=self.get_modality_type(initial_output_tokens), ) prev_decoder_out["output_masks"] = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) for step in tqdm(range(max_iter), desc="Decoding"): # 2.1: predict with torch.no_grad(): decoder_out = self.forward_decoder( prev_decoder_out=prev_decoder_out, partial_masks=partial_masks, sampling_strategy=sampling_strategy, ) output_tokens = decoder_out["output_tokens"] output_scores = decoder_out["output_scores"] # 2.2: re-mask skeptical parts of low confidence non_special_sym_mask = self.get_non_special_symbol_mask( prev_decoder_out["output_tokens"], partial_masks=partial_masks ) ( output_masks, result_tokens, result_scores, ) = self._reparam_decoding( output_tokens=prev_decoder_out["output_tokens"].clone(), output_scores=prev_decoder_out["output_scores"].clone(), cur_tokens=output_tokens.clone(), cur_scores=output_scores.clone(), decoding_strategy=f"reparam-uncond-{unmasking_strategy}-linear", xt_neq_x0=prev_decoder_out["output_masks"], type_ids=prev_decoder_out["type_ids"].clone(), non_special_sym_mask=non_special_sym_mask, t=step + 1, max_step=max_iter, ) prev_decoder_out.update(output_masks=output_masks) output_tokens = result_tokens output_scores = result_scores prev_decoder_out.update( output_tokens=output_tokens, output_scores=output_scores, step=step + 1, history=decoder_out["history"], all_hidden_states=decoder_out["all_hidden_states"], ) decoder_out = prev_decoder_out decoder_out = self.prepare_for_struct_tokenizer( decoder_out, non_special_sym_mask ) return { "output_tokens": decoder_out["output_tokens"], "res_mask": decoder_out["res_mask"], "final_struct_feature": decoder_out["final_struct_feature"], } def prepare_for_struct_tokenizer(self, decoder_out, non_special_sym_mask): lm_output_struct_tokens = decoder_out["output_tokens"].chunk(2, dim=1)[ 0 ] non_bos_eos_mask = lm_output_struct_tokens.ne( self.struct_eos_id ) & lm_output_struct_tokens.ne(self.struct_bos_id) bsz, max_len = non_bos_eos_mask.shape res_mask = ( non_special_sym_mask.chunk(2, dim=1)[0][non_bos_eos_mask] .view(bsz, max_len - 2) .int() ) struct_tokens = ( lm_output_struct_tokens[non_bos_eos_mask].view(bsz, max_len - 2) - self.struct_vocab_offset ) struct_tokens[~res_mask.bool()] = 0 quant = self.struct_tokenizer.quantize.get_codebook_entry( struct_tokens ) decoder_out["res_mask"] = res_mask decoder_out["final_struct_feature"] = quant return decoder_out ================================================ FILE: src/byprot/models/dplm2/modules/dplm2_bit_modeling_esm.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math import os import time from collections import namedtuple from copy import deepcopy from dataclasses import dataclass, field from typing import List, Optional, Tuple, Union import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf from torch.nn import functional as F from tqdm import tqdm from transformers import AutoConfig, AutoTokenizer from transformers.modeling_outputs import ( BaseModelOutputWithPoolingAndCrossAttentions, ) from transformers.models.esm.modeling_esm import * from byprot.models import register_model class ModifiedRotaryEmbedding(RotaryEmbedding): """Rotary position embeddings based on those in. [RoFormer](https://huggingface.co/docs/transformers/model_doc/roformer). Query and keys are transformed by rotation matrices which depend on their relative positions. """ def __init__(self, dim: int): super().__init__(dim) self.aa_type = 1 self.struct_type = 0 def _update_cos_sin_tables(self, x, type_ids, seq_dimension=2): seq_len = x.shape[seq_dimension] if self.aa_type in type_ids and self.struct_type in type_ids: seq_len /= 2 # Reset the tables if the sequence length has changed, # or if we're on a new device (possibly due to tracing for instance) if ( seq_len != self._seq_len_cached or self._cos_cached.device != x.device ): self._seq_len_cached = seq_len t = torch.arange(x.shape[seq_dimension], device=x.device).type_as( self.inv_freq ) t = torch.arange(seq_len, device=x.device).type_as(self.inv_freq) freqs = torch.outer(t, self.inv_freq) emb = torch.cat((freqs, freqs), dim=-1).to(x.device) self._cos_cached = emb.cos()[None, None, :, :] self._sin_cached = emb.sin()[None, None, :, :] return self._cos_cached, self._sin_cached def forward( self, q: torch.Tensor, k: torch.Tensor, type_ids: torch.Tensor ) -> Tuple[torch.Tensor, torch.Tensor]: self._cos_cached, self._sin_cached = self._update_cos_sin_tables( k, type_ids=type_ids, seq_dimension=-2 ) if self.aa_type in type_ids and self.struct_type in type_ids: q_1, q_2 = q.chunk(2, dim=-2) k_1, k_2 = k.chunk(2, dim=-2) q_1 = apply_rotary_pos_emb(q_1, self._cos_cached, self._sin_cached) q_2 = apply_rotary_pos_emb(q_2, self._cos_cached, self._sin_cached) k_1 = apply_rotary_pos_emb(k_1, self._cos_cached, self._sin_cached) k_2 = apply_rotary_pos_emb(k_2, self._cos_cached, self._sin_cached) q = torch.cat((q_1, q_2), dim=-2) k = torch.cat((k_1, k_2), dim=-2) return (q, k) else: return ( apply_rotary_pos_emb(q, self._cos_cached, self._sin_cached), apply_rotary_pos_emb(k, self._cos_cached, self._sin_cached), ) class ModifiedEsmSelfAttention(EsmSelfAttention): def __init__(self, config, position_embedding_type=None): super().__init__(config, position_embedding_type) self.rotary_embeddings = ModifiedRotaryEmbedding( dim=self.attention_head_size ) def forward( self, hidden_states: torch.Tensor, attention_mask: Optional[torch.FloatTensor] = None, head_mask: Optional[torch.FloatTensor] = None, encoder_hidden_states: Optional[torch.FloatTensor] = None, encoder_attention_mask: Optional[torch.FloatTensor] = None, past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None, output_attentions: Optional[bool] = False, type_ids: Optional[torch.Tensor] = None, ) -> Tuple[torch.Tensor]: mixed_query_layer = self.query(hidden_states) # If this is instantiated as a cross-attention module, the keys # and values come from an encoder; the attention mask needs to be # such that the encoder's padding tokens are not attended to. is_cross_attention = encoder_hidden_states is not None if is_cross_attention and past_key_value is not None: # reuse k,v, cross_attentions key_layer = past_key_value[0] value_layer = past_key_value[1] attention_mask = encoder_attention_mask elif is_cross_attention: key_layer = self.transpose_for_scores( self.key(encoder_hidden_states) ) value_layer = self.transpose_for_scores( self.value(encoder_hidden_states) ) attention_mask = encoder_attention_mask elif past_key_value is not None: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) key_layer = torch.cat([past_key_value[0], key_layer], dim=2) value_layer = torch.cat([past_key_value[1], value_layer], dim=2) else: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) query_layer = self.transpose_for_scores(mixed_query_layer) # Matt: Our BERT model (which this code was derived from) scales attention logits down by sqrt(head_dim). # ESM scales the query down by the same factor instead. Modulo numerical stability these are equivalent, # but not when rotary embeddings get involved. Therefore, we scale the query here to match the original # ESM code and fix rotary embeddings. query_layer = query_layer * self.attention_head_size**-0.5 if self.is_decoder: # if cross_attention save Tuple(torch.Tensor, torch.Tensor) of all cross attention key/value_states. # Further calls to cross_attention layer can then reuse all cross-attention # key/value_states (first "if" case) # if uni-directional self-attention (decoder) save Tuple(torch.Tensor, torch.Tensor) of # all previous decoder key/value_states. Further calls to uni-directional self-attention # can concat previous decoder key/value_states to current projected key/value_states (third "elif" case) # if encoder bi-directional self-attention `past_key_value` is always `None` past_key_value = (key_layer, value_layer) if self.position_embedding_type == "rotary": query_layer, key_layer = self.rotary_embeddings( query_layer, key_layer, type_ids ) # Take the dot product between "query" and "key" to get the raw attention scores. # attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2)) if ( self.position_embedding_type == "relative_key" or self.position_embedding_type == "relative_key_query" ): raise NotImplementedError # if attention_mask is not None: # # Apply the attention mask is (precomputed for all layers in EsmModel forward() function) # attention_scores = attention_scores + attention_mask # Normalize the attention scores to probabilities. # attention_probs = nn.functional.softmax(attention_scores, dim=-1) # This is actually dropping out entire tokens to attend to, which might # seem a bit unusual, but is taken from the original Transformer paper. # attention_probs = self.dropout(attention_probs) # Mask heads if we want to if head_mask is not None: raise NotImplementedError query_layer = query_layer.contiguous() key_layer = key_layer.contiguous() value_layer = value_layer.contiguous() # start_time = time.time() context_layer = F.scaled_dot_product_attention( query_layer, key_layer, value_layer, attn_mask=attention_mask, scale=1.0, ) # end_time = time.time() # print('FlashAttn: ', start_time - end_time) # context_layer = torch.matmul(attention_probs, value_layer) # start_time = time.time() # attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2)) # attention_scores = attention_scores + attention_mask # attention_probs = nn.functional.softmax(attention_scores, dim=-1) # attention_probs = self.dropout(attention_probs) # context_layer = torch.matmul(attention_probs, value_layer) # end_time = time.time() # print('Naive impl.: ', start_time - end_time) context_layer = context_layer.permute(0, 2, 1, 3).contiguous() new_context_layer_shape = context_layer.size()[:-2] + ( self.all_head_size, ) context_layer = context_layer.view(new_context_layer_shape) # outputs = (context_layer, attention_probs) if output_attentions else (context_layer,) outputs = (context_layer,) if self.is_decoder: outputs = outputs + (past_key_value,) return outputs class ModifiedEsmAttention(EsmAttention): def __init__(self, config): nn.Module.__init__(self) self.self = ModifiedEsmSelfAttention(config) self.output = EsmSelfOutput(config) self.pruned_heads = set() self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_value=None, output_attentions=False, type_ids=None, ): hidden_states_ln = self.LayerNorm(hidden_states) self_outputs = self.self( hidden_states_ln, attention_mask, head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) attention_output = self.output(self_outputs[0], hidden_states) outputs = (attention_output,) + self_outputs[ 1: ] # add attentions if we output them return outputs class ModifiedEsmLayer(EsmLayer): def __init__(self, config): nn.Module.__init__(self) self.chunk_size_feed_forward = config.chunk_size_feed_forward self.seq_len_dim = 1 self.attention = ModifiedEsmAttention(config) self.is_decoder = config.is_decoder self.add_cross_attention = config.add_cross_attention if self.add_cross_attention: if not self.is_decoder: raise RuntimeError( f"{self} should be used as a decoder model if cross attention is added" ) self.crossattention = ModifiedEsmAttention(config) self.intermediate = EsmIntermediate(config) self.output = EsmOutput(config) self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_value=None, output_attentions=False, type_ids=None, ): # decoder uni-directional self-attention cached key/values tuple is at positions 1,2 self_attn_past_key_value = ( past_key_value[:2] if past_key_value is not None else None ) self_attention_outputs = self.attention( hidden_states, attention_mask, head_mask, output_attentions=output_attentions, past_key_value=self_attn_past_key_value, type_ids=type_ids, ) attention_output = self_attention_outputs[0] # if decoder, the last output is tuple of self-attn cache if self.is_decoder: outputs = self_attention_outputs[1:-1] present_key_value = self_attention_outputs[-1] else: outputs = self_attention_outputs[ 1: ] # add self attentions if we output attention weights cross_attn_present_key_value = None if self.is_decoder and encoder_hidden_states is not None: if not hasattr(self, "crossattention"): raise AttributeError( f"If `encoder_hidden_states` are passed, {self} has to be instantiated" " with cross-attention layers by setting `config.add_cross_attention=True`" ) # cross_attn cached key/values tuple is at positions 3,4 of past_key_value tuple cross_attn_past_key_value = ( past_key_value[-2:] if past_key_value is not None else None ) cross_attention_outputs = self.crossattention( attention_output, attention_mask, head_mask, encoder_hidden_states, encoder_attention_mask, cross_attn_past_key_value, output_attentions, ) attention_output = cross_attention_outputs[0] outputs = ( outputs + cross_attention_outputs[1:-1] ) # add cross attentions if we output attention weights # add cross-attn cache to positions 3,4 of present_key_value tuple cross_attn_present_key_value = cross_attention_outputs[-1] present_key_value = ( present_key_value + cross_attn_present_key_value ) layer_output = self.feed_forward_chunk(attention_output) outputs = (layer_output,) + outputs # if decoder, return the attn key/values as the last output if self.is_decoder: outputs = outputs + (present_key_value,) return outputs class ModifiedEsmEncoder(EsmEncoder): def __init__(self, config): nn.Module.__init__(self) self.config = config self.layer = nn.ModuleList( [ModifiedEsmLayer(config) for _ in range(config.num_hidden_layers)] ) self.emb_layer_norm_after = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) self.gradient_checkpointing = False def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_values=None, use_cache=None, output_attentions=False, output_hidden_states=False, return_dict=True, type_ids=None, ): if self.gradient_checkpointing and self.training: if use_cache: logger.warning_once( "`use_cache=True` is incompatible with `config.gradient_checkpointing=True`. Setting " "`use_cache=False`..." ) use_cache = False all_hidden_states = () if output_hidden_states else None all_self_attentions = () if output_attentions else None all_cross_attentions = ( () if output_attentions and self.config.add_cross_attention else None ) next_decoder_cache = () if use_cache else None for i, layer_module in enumerate(self.layer): if output_hidden_states: all_hidden_states = all_hidden_states + (hidden_states,) layer_head_mask = head_mask[i] if head_mask is not None else None past_key_value = ( past_key_values[i] if past_key_values is not None else None ) if self.gradient_checkpointing and self.training: layer_outputs = self._gradient_checkpointing_func( layer_module.__call__, hidden_states, attention_mask, layer_head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) else: layer_outputs = layer_module( hidden_states, attention_mask, layer_head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) hidden_states = layer_outputs[0] if use_cache: next_decoder_cache = next_decoder_cache + (layer_outputs[-1],) if output_attentions: all_self_attentions = all_self_attentions + (layer_outputs[1],) if self.config.add_cross_attention: all_cross_attentions = all_cross_attentions + ( layer_outputs[2], ) if self.emb_layer_norm_after: hidden_states = self.emb_layer_norm_after(hidden_states) if output_hidden_states: all_hidden_states = all_hidden_states + (hidden_states,) if not return_dict: return tuple( v for v in [ hidden_states, next_decoder_cache, all_hidden_states, all_self_attentions, all_cross_attentions, ] if v is not None ) return BaseModelOutputWithPastAndCrossAttentions( last_hidden_state=hidden_states, past_key_values=next_decoder_cache, hidden_states=all_hidden_states, attentions=all_self_attentions, cross_attentions=all_cross_attentions, ) class ModifiedEsmModel(EsmModel): def __init__(self, config, add_pooling_layer=True): EsmPreTrainedModel.__init__(self, config) self.config = config self.embeddings = EsmEmbeddings(config) self.encoder = ModifiedEsmEncoder(config) self.pooler = EsmPooler(config) if add_pooling_layer else None self.contact_head = EsmContactPredictionHead( in_features=config.num_hidden_layers * config.num_attention_heads, bias=True, ) # Initialize weights and apply final processing self.post_init() def forward( self, input_ids: Optional[torch.Tensor] = None, attention_mask: Optional[torch.Tensor] = None, position_ids: Optional[torch.Tensor] = None, head_mask: Optional[torch.Tensor] = None, inputs_embeds: Optional[torch.Tensor] = None, encoder_hidden_states: Optional[torch.Tensor] = None, encoder_attention_mask: Optional[torch.Tensor] = None, past_key_values: Optional[List[torch.FloatTensor]] = None, use_cache: Optional[bool] = None, output_attentions: Optional[bool] = None, output_hidden_states: Optional[bool] = None, return_dict: Optional[bool] = None, type_ids: Optional[torch.Tensor] = None, ) -> Union[ Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions ]: output_attentions = ( output_attentions if output_attentions is not None else self.config.output_attentions ) output_hidden_states = ( output_hidden_states if output_hidden_states is not None else self.config.output_hidden_states ) return_dict = ( return_dict if return_dict is not None else self.config.use_return_dict ) if self.config.is_decoder: use_cache = ( use_cache if use_cache is not None else self.config.use_cache ) else: use_cache = False if input_ids is not None and inputs_embeds is not None: # raise ValueError("You cannot specify both input_ids and inputs_embeds at the same time") input_shape = input_ids.size() elif input_ids is not None: input_shape = input_ids.size() elif inputs_embeds is not None: input_shape = inputs_embeds.size()[:-1] else: raise ValueError( "You have to specify either input_ids or inputs_embeds" ) batch_size, seq_length = input_shape device = ( input_ids.device if input_ids is not None else inputs_embeds.device ) # past_key_values_length past_key_values_length = ( past_key_values[0][0].shape[2] if past_key_values is not None else 0 ) if attention_mask is None: attention_mask = torch.ones( ((batch_size, seq_length + past_key_values_length)), device=device, ) # We can provide a self-attention mask of dimensions [batch_size, from_seq_length, to_seq_length] # ourselves in which case we just need to make it broadcastable to all heads. if attention_mask.dim() == 4: extended_attention_mask = attention_mask else: extended_attention_mask: torch.Tensor = ( self.get_extended_attention_mask(attention_mask, input_shape) ) # If a 2D or 3D attention mask is provided for the cross-attention # we need to make broadcastable to [batch_size, num_heads, seq_length, seq_length] if self.config.is_decoder and encoder_hidden_states is not None: ( encoder_batch_size, encoder_sequence_length, _, ) = encoder_hidden_states.size() encoder_hidden_shape = ( encoder_batch_size, encoder_sequence_length, ) if encoder_attention_mask is None: encoder_attention_mask = torch.ones( encoder_hidden_shape, device=device ) encoder_extended_attention_mask = self.invert_attention_mask( encoder_attention_mask ) else: # encoder_extended_attention_mask = None encoder_extended_attention_mask = encoder_attention_mask # Prepare head mask if needed # 1.0 in head_mask indicate we keep the head # attention_probs has shape bsz x n_heads x N x N # input head_mask has shape [num_heads] or [num_hidden_layers x num_heads] # and head_mask is converted to shape [num_hidden_layers x batch x num_heads x seq_length x seq_length] head_mask = self.get_head_mask( head_mask, self.config.num_hidden_layers ) embedding_output = self.embeddings( input_ids=input_ids, position_ids=position_ids, attention_mask=input_ids.ne( self.config.pad_token_id ), # attention_mask, inputs_embeds=inputs_embeds, past_key_values_length=past_key_values_length, ) encoder_outputs = self.encoder( embedding_output, attention_mask=extended_attention_mask, head_mask=head_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_extended_attention_mask, past_key_values=past_key_values, use_cache=use_cache, output_attentions=output_attentions, output_hidden_states=output_hidden_states, return_dict=return_dict, type_ids=type_ids, ) sequence_output = encoder_outputs[0] pooled_output = ( self.pooler(sequence_output) if self.pooler is not None else None ) if not return_dict: return (sequence_output, pooled_output) + encoder_outputs[1:] return BaseModelOutputWithPoolingAndCrossAttentions( last_hidden_state=sequence_output, pooler_output=pooled_output, past_key_values=encoder_outputs.past_key_values, hidden_states=encoder_outputs.hidden_states, attentions=encoder_outputs.attentions, cross_attentions=encoder_outputs.cross_attentions, ) @register_model("dplm2_bit_esm") class EsmForDPLM2Bit(EsmForMaskedLM): def __init__(self, config, dropout=0.1, codebook_embed_dim=13): config.hidden_dropout_prob = dropout config.tie_word_embeddings = False EsmPreTrainedModel.__init__(self, config) self.esm = ModifiedEsmModel(config, add_pooling_layer=False) # aatype output head self.lm_head = EsmLMHead( config ) # do not change the name for loading DPLM weights. # struct output head struct_config = deepcopy(config) # vocab size is equal to codebook_embed_dim * 2 for binary classification. struct_config.vocab_size = ( getattr(config, "codebook_embed_dim", codebook_embed_dim) * 2 ) self.lm_head_struct = EsmLMHead(struct_config) self.init_weights() self.pad_id = config.pad_token_id self.contact_head = None self.config = config # bit-wise prediction #### struct learnable embedding self.struct_bos_emb = nn.Parameter(torch.randn(config.hidden_size)) self.struct_eos_emb = nn.Parameter(torch.randn(config.hidden_size)) self.struct_mask_emb = nn.Parameter(torch.randn(config.hidden_size)) # for the bit-based quant feature, # we use a linear to project to the same dimension of model embedding self.quant2emb = nn.Linear( getattr(config, "codebook_embed_dim", codebook_embed_dim), config.hidden_size, ) def forward( self, input_ids=None, attention_mask=None, type_ids=None, inputs_embeds=None, decoder_input_ids=None, decoder_attention_mask=None, decoder_inputs_embeds=None, labels=None, output_attentions=None, output_hidden_states=None, return_dict=None, encoder_hidden_states=None, encoder_attention_mask=None, ): if attention_mask is None: attention_mask = input_ids.ne(self.pad_id) outputs = self.esm( input_ids=input_ids, inputs_embeds=inputs_embeds, attention_mask=attention_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_attention_mask, output_hidden_states=output_hidden_states, type_ids=type_ids, ) sequence_output = outputs[0] logits_aatype = self.lm_head(sequence_output.chunk(2, dim=1)[1]) logits_struct = self.lm_head_struct(sequence_output.chunk(2, dim=1)[0]) result = { "aatype_logits": logits_aatype, "struct_logits": logits_struct, "last_hidden_state": sequence_output, } if output_hidden_states: result["all_hidden_states"] = outputs["hidden_states"] return result ================================================ FILE: src/byprot/models/dplm2/modules/dplm2_modeling_esm.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math import os import time from collections import namedtuple from copy import deepcopy from dataclasses import dataclass, field from typing import List, Optional, Tuple, Union import numpy as np import torch import torch.nn as nn from omegaconf import OmegaConf from torch.nn import functional as F from tqdm import tqdm from transformers import AutoConfig, AutoTokenizer from transformers.modeling_outputs import ( BaseModelOutputWithPoolingAndCrossAttentions, ) from transformers.models.esm.modeling_esm import * from byprot.models import register_model class ModifiedRotaryEmbedding(RotaryEmbedding): """Rotary position embeddings based on those in. [RoFormer](https://huggingface.co/docs/transformers/model_doc/roformer). Query and keys are transformed by rotation matrices which depend on their relative positions. """ def __init__(self, dim: int): super().__init__(dim) self.aa_type = 1 self.struct_type = 0 def _update_cos_sin_tables(self, x, type_ids, seq_dimension=2): seq_len = x.shape[seq_dimension] if self.aa_type in type_ids and self.struct_type in type_ids: seq_len /= 2 # Reset the tables if the sequence length has changed, # or if we're on a new device (possibly due to tracing for instance) if ( seq_len != self._seq_len_cached or self._cos_cached.device != x.device ): self._seq_len_cached = seq_len t = torch.arange(x.shape[seq_dimension], device=x.device).type_as( self.inv_freq ) t = torch.arange(seq_len, device=x.device).type_as(self.inv_freq) freqs = torch.outer(t, self.inv_freq) emb = torch.cat((freqs, freqs), dim=-1).to(x.device) self._cos_cached = emb.cos()[None, None, :, :] self._sin_cached = emb.sin()[None, None, :, :] return self._cos_cached, self._sin_cached def forward( self, q: torch.Tensor, k: torch.Tensor, type_ids: torch.Tensor ) -> Tuple[torch.Tensor, torch.Tensor]: self._cos_cached, self._sin_cached = self._update_cos_sin_tables( k, type_ids=type_ids, seq_dimension=-2 ) if self.aa_type in type_ids and self.struct_type in type_ids: q_1, q_2 = q.chunk(2, dim=-2) k_1, k_2 = k.chunk(2, dim=-2) q_1 = apply_rotary_pos_emb(q_1, self._cos_cached, self._sin_cached) q_2 = apply_rotary_pos_emb(q_2, self._cos_cached, self._sin_cached) k_1 = apply_rotary_pos_emb(k_1, self._cos_cached, self._sin_cached) k_2 = apply_rotary_pos_emb(k_2, self._cos_cached, self._sin_cached) q = torch.cat((q_1, q_2), dim=-2) k = torch.cat((k_1, k_2), dim=-2) return (q, k) else: return ( apply_rotary_pos_emb(q, self._cos_cached, self._sin_cached), apply_rotary_pos_emb(k, self._cos_cached, self._sin_cached), ) class ModifiedEsmSelfAttention(EsmSelfAttention): def __init__(self, config, position_embedding_type=None): super().__init__(config, position_embedding_type) self.rotary_embeddings = ModifiedRotaryEmbedding( dim=self.attention_head_size ) def forward( self, hidden_states: torch.Tensor, attention_mask: Optional[torch.FloatTensor] = None, head_mask: Optional[torch.FloatTensor] = None, encoder_hidden_states: Optional[torch.FloatTensor] = None, encoder_attention_mask: Optional[torch.FloatTensor] = None, past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None, output_attentions: Optional[bool] = False, type_ids: Optional[torch.Tensor] = None, ) -> Tuple[torch.Tensor]: mixed_query_layer = self.query(hidden_states) # If this is instantiated as a cross-attention module, the keys # and values come from an encoder; the attention mask needs to be # such that the encoder's padding tokens are not attended to. is_cross_attention = encoder_hidden_states is not None if is_cross_attention and past_key_value is not None: # reuse k,v, cross_attentions key_layer = past_key_value[0] value_layer = past_key_value[1] attention_mask = encoder_attention_mask elif is_cross_attention: key_layer = self.transpose_for_scores( self.key(encoder_hidden_states) ) value_layer = self.transpose_for_scores( self.value(encoder_hidden_states) ) attention_mask = encoder_attention_mask elif past_key_value is not None: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) key_layer = torch.cat([past_key_value[0], key_layer], dim=2) value_layer = torch.cat([past_key_value[1], value_layer], dim=2) else: key_layer = self.transpose_for_scores(self.key(hidden_states)) value_layer = self.transpose_for_scores(self.value(hidden_states)) query_layer = self.transpose_for_scores(mixed_query_layer) # Matt: Our BERT model (which this code was derived from) scales attention logits down by sqrt(head_dim). # ESM scales the query down by the same factor instead. Modulo numerical stability these are equivalent, # but not when rotary embeddings get involved. Therefore, we scale the query here to match the original # ESM code and fix rotary embeddings. query_layer = query_layer * self.attention_head_size**-0.5 if self.is_decoder: # if cross_attention save Tuple(torch.Tensor, torch.Tensor) of all cross attention key/value_states. # Further calls to cross_attention layer can then reuse all cross-attention # key/value_states (first "if" case) # if uni-directional self-attention (decoder) save Tuple(torch.Tensor, torch.Tensor) of # all previous decoder key/value_states. Further calls to uni-directional self-attention # can concat previous decoder key/value_states to current projected key/value_states (third "elif" case) # if encoder bi-directional self-attention `past_key_value` is always `None` past_key_value = (key_layer, value_layer) if self.position_embedding_type == "rotary": query_layer, key_layer = self.rotary_embeddings( query_layer, key_layer, type_ids ) # Take the dot product between "query" and "key" to get the raw attention scores. # attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2)) if ( self.position_embedding_type == "relative_key" or self.position_embedding_type == "relative_key_query" ): raise NotImplementedError # if attention_mask is not None: # # Apply the attention mask is (precomputed for all layers in EsmModel forward() function) # attention_scores = attention_scores + attention_mask # Normalize the attention scores to probabilities. # attention_probs = nn.functional.softmax(attention_scores, dim=-1) # This is actually dropping out entire tokens to attend to, which might # seem a bit unusual, but is taken from the original Transformer paper. # attention_probs = self.dropout(attention_probs) # Mask heads if we want to if head_mask is not None: raise NotImplementedError query_layer = query_layer.contiguous() key_layer = key_layer.contiguous() value_layer = value_layer.contiguous() # start_time = time.time() context_layer = F.scaled_dot_product_attention( query_layer, key_layer, value_layer, attn_mask=attention_mask, scale=1.0, ) # end_time = time.time() # print('FlashAttn: ', start_time - end_time) # context_layer = torch.matmul(attention_probs, value_layer) # start_time = time.time() # attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2)) # attention_scores = attention_scores + attention_mask # attention_probs = nn.functional.softmax(attention_scores, dim=-1) # attention_probs = self.dropout(attention_probs) # context_layer = torch.matmul(attention_probs, value_layer) # end_time = time.time() # print('Naive impl.: ', start_time - end_time) context_layer = context_layer.permute(0, 2, 1, 3).contiguous() new_context_layer_shape = context_layer.size()[:-2] + ( self.all_head_size, ) context_layer = context_layer.view(new_context_layer_shape) # outputs = (context_layer, attention_probs) if output_attentions else (context_layer,) outputs = (context_layer,) if self.is_decoder: outputs = outputs + (past_key_value,) return outputs class ModifiedEsmAttention(EsmAttention): def __init__(self, config): nn.Module.__init__(self) self.self = ModifiedEsmSelfAttention(config) self.output = EsmSelfOutput(config) self.pruned_heads = set() self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_value=None, output_attentions=False, type_ids=None, ): hidden_states_ln = self.LayerNorm(hidden_states) self_outputs = self.self( hidden_states_ln, attention_mask, head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) attention_output = self.output(self_outputs[0], hidden_states) outputs = (attention_output,) + self_outputs[ 1: ] # add attentions if we output them return outputs class ModifiedEsmLayer(EsmLayer): def __init__(self, config): nn.Module.__init__(self) self.chunk_size_feed_forward = config.chunk_size_feed_forward self.seq_len_dim = 1 self.attention = ModifiedEsmAttention(config) self.is_decoder = config.is_decoder self.add_cross_attention = config.add_cross_attention if self.add_cross_attention: if not self.is_decoder: raise RuntimeError( f"{self} should be used as a decoder model if cross attention is added" ) self.crossattention = ModifiedEsmAttention(config) self.intermediate = EsmIntermediate(config) self.output = EsmOutput(config) self.LayerNorm = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_value=None, output_attentions=False, type_ids=None, ): # decoder uni-directional self-attention cached key/values tuple is at positions 1,2 self_attn_past_key_value = ( past_key_value[:2] if past_key_value is not None else None ) self_attention_outputs = self.attention( hidden_states, attention_mask, head_mask, output_attentions=output_attentions, past_key_value=self_attn_past_key_value, type_ids=type_ids, ) attention_output = self_attention_outputs[0] # if decoder, the last output is tuple of self-attn cache if self.is_decoder: outputs = self_attention_outputs[1:-1] present_key_value = self_attention_outputs[-1] else: outputs = self_attention_outputs[ 1: ] # add self attentions if we output attention weights cross_attn_present_key_value = None if self.is_decoder and encoder_hidden_states is not None: if not hasattr(self, "crossattention"): raise AttributeError( f"If `encoder_hidden_states` are passed, {self} has to be instantiated" " with cross-attention layers by setting `config.add_cross_attention=True`" ) # cross_attn cached key/values tuple is at positions 3,4 of past_key_value tuple cross_attn_past_key_value = ( past_key_value[-2:] if past_key_value is not None else None ) cross_attention_outputs = self.crossattention( attention_output, attention_mask, head_mask, encoder_hidden_states, encoder_attention_mask, cross_attn_past_key_value, output_attentions, ) attention_output = cross_attention_outputs[0] outputs = ( outputs + cross_attention_outputs[1:-1] ) # add cross attentions if we output attention weights # add cross-attn cache to positions 3,4 of present_key_value tuple cross_attn_present_key_value = cross_attention_outputs[-1] present_key_value = ( present_key_value + cross_attn_present_key_value ) layer_output = self.feed_forward_chunk(attention_output) outputs = (layer_output,) + outputs # if decoder, return the attn key/values as the last output if self.is_decoder: outputs = outputs + (present_key_value,) return outputs class ModifiedEsmEncoder(EsmEncoder): def __init__(self, config): nn.Module.__init__(self) self.config = config self.layer = nn.ModuleList( [ModifiedEsmLayer(config) for _ in range(config.num_hidden_layers)] ) self.emb_layer_norm_after = nn.LayerNorm( config.hidden_size, eps=config.layer_norm_eps ) self.gradient_checkpointing = False def forward( self, hidden_states, attention_mask=None, head_mask=None, encoder_hidden_states=None, encoder_attention_mask=None, past_key_values=None, use_cache=None, output_attentions=False, output_hidden_states=False, return_dict=True, type_ids=None, ): if self.gradient_checkpointing and self.training: if use_cache: logger.warning_once( "`use_cache=True` is incompatible with `config.gradient_checkpointing=True`. Setting " "`use_cache=False`..." ) use_cache = False all_hidden_states = () if output_hidden_states else None all_self_attentions = () if output_attentions else None all_cross_attentions = ( () if output_attentions and self.config.add_cross_attention else None ) next_decoder_cache = () if use_cache else None for i, layer_module in enumerate(self.layer): if output_hidden_states: all_hidden_states = all_hidden_states + (hidden_states,) layer_head_mask = head_mask[i] if head_mask is not None else None past_key_value = ( past_key_values[i] if past_key_values is not None else None ) if self.gradient_checkpointing and self.training: layer_outputs = self._gradient_checkpointing_func( layer_module.__call__, hidden_states, attention_mask, layer_head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) else: layer_outputs = layer_module( hidden_states, attention_mask, layer_head_mask, encoder_hidden_states, encoder_attention_mask, past_key_value, output_attentions, type_ids, ) hidden_states = layer_outputs[0] if use_cache: next_decoder_cache = next_decoder_cache + (layer_outputs[-1],) if output_attentions: all_self_attentions = all_self_attentions + (layer_outputs[1],) if self.config.add_cross_attention: all_cross_attentions = all_cross_attentions + ( layer_outputs[2], ) if self.emb_layer_norm_after: hidden_states = self.emb_layer_norm_after(hidden_states) if output_hidden_states: all_hidden_states = all_hidden_states + (hidden_states,) if not return_dict: return tuple( v for v in [ hidden_states, next_decoder_cache, all_hidden_states, all_self_attentions, all_cross_attentions, ] if v is not None ) return BaseModelOutputWithPastAndCrossAttentions( last_hidden_state=hidden_states, past_key_values=next_decoder_cache, hidden_states=all_hidden_states, attentions=all_self_attentions, cross_attentions=all_cross_attentions, ) class ModifiedEsmModel(EsmModel): def __init__(self, config, add_pooling_layer=True): EsmPreTrainedModel.__init__(self, config) self.config = config self.embeddings = EsmEmbeddings(config) self.encoder = ModifiedEsmEncoder(config) self.pooler = EsmPooler(config) if add_pooling_layer else None self.contact_head = EsmContactPredictionHead( in_features=config.num_hidden_layers * config.num_attention_heads, bias=True, ) # Initialize weights and apply final processing self.post_init() def forward( self, input_ids: Optional[torch.Tensor] = None, attention_mask: Optional[torch.Tensor] = None, position_ids: Optional[torch.Tensor] = None, head_mask: Optional[torch.Tensor] = None, inputs_embeds: Optional[torch.Tensor] = None, encoder_hidden_states: Optional[torch.Tensor] = None, encoder_attention_mask: Optional[torch.Tensor] = None, past_key_values: Optional[List[torch.FloatTensor]] = None, use_cache: Optional[bool] = None, output_attentions: Optional[bool] = None, output_hidden_states: Optional[bool] = None, return_dict: Optional[bool] = None, type_ids: Optional[torch.Tensor] = None, ) -> Union[ Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions ]: output_attentions = ( output_attentions if output_attentions is not None else self.config.output_attentions ) output_hidden_states = ( output_hidden_states if output_hidden_states is not None else self.config.output_hidden_states ) return_dict = ( return_dict if return_dict is not None else self.config.use_return_dict ) if self.config.is_decoder: use_cache = ( use_cache if use_cache is not None else self.config.use_cache ) else: use_cache = False if input_ids is not None and inputs_embeds is not None: # raise ValueError("You cannot specify both input_ids and inputs_embeds at the same time") input_shape = input_ids.size() elif input_ids is not None: input_shape = input_ids.size() elif inputs_embeds is not None: input_shape = inputs_embeds.size()[:-1] else: raise ValueError( "You have to specify either input_ids or inputs_embeds" ) batch_size, seq_length = input_shape device = ( input_ids.device if input_ids is not None else inputs_embeds.device ) # past_key_values_length past_key_values_length = ( past_key_values[0][0].shape[2] if past_key_values is not None else 0 ) if attention_mask is None: attention_mask = torch.ones( ((batch_size, seq_length + past_key_values_length)), device=device, ) # We can provide a self-attention mask of dimensions [batch_size, from_seq_length, to_seq_length] # ourselves in which case we just need to make it broadcastable to all heads. if attention_mask.dim() == 4: extended_attention_mask = attention_mask else: extended_attention_mask: torch.Tensor = ( self.get_extended_attention_mask(attention_mask, input_shape) ) # If a 2D or 3D attention mask is provided for the cross-attention # we need to make broadcastable to [batch_size, num_heads, seq_length, seq_length] if self.config.is_decoder and encoder_hidden_states is not None: ( encoder_batch_size, encoder_sequence_length, _, ) = encoder_hidden_states.size() encoder_hidden_shape = ( encoder_batch_size, encoder_sequence_length, ) if encoder_attention_mask is None: encoder_attention_mask = torch.ones( encoder_hidden_shape, device=device ) encoder_extended_attention_mask = self.invert_attention_mask( encoder_attention_mask ) else: # encoder_extended_attention_mask = None encoder_extended_attention_mask = encoder_attention_mask # Prepare head mask if needed # 1.0 in head_mask indicate we keep the head # attention_probs has shape bsz x n_heads x N x N # input head_mask has shape [num_heads] or [num_hidden_layers x num_heads] # and head_mask is converted to shape [num_hidden_layers x batch x num_heads x seq_length x seq_length] head_mask = self.get_head_mask( head_mask, self.config.num_hidden_layers ) embedding_output = self.embeddings( input_ids=input_ids, position_ids=position_ids, attention_mask=input_ids.ne( self.config.pad_token_id ), # attention_mask, inputs_embeds=inputs_embeds, past_key_values_length=past_key_values_length, ) encoder_outputs = self.encoder( embedding_output, attention_mask=extended_attention_mask, head_mask=head_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_extended_attention_mask, past_key_values=past_key_values, use_cache=use_cache, output_attentions=output_attentions, output_hidden_states=output_hidden_states, return_dict=return_dict, type_ids=type_ids, ) sequence_output = encoder_outputs[0] pooled_output = ( self.pooler(sequence_output) if self.pooler is not None else None ) if not return_dict: return (sequence_output, pooled_output) + encoder_outputs[1:] return BaseModelOutputWithPoolingAndCrossAttentions( last_hidden_state=sequence_output, pooler_output=pooled_output, past_key_values=encoder_outputs.past_key_values, hidden_states=encoder_outputs.hidden_states, attentions=encoder_outputs.attentions, cross_attentions=encoder_outputs.cross_attentions, ) @register_model("dplm2_esm") class EsmForDPLM2(EsmForMaskedLM): def __init__(self, config, dropout=0.1, vocab_size=None): config.hidden_dropout_prob = dropout config.tie_word_embeddings = False if vocab_size is not None: config.vocab_size = vocab_size EsmPreTrainedModel.__init__(self, config) self.esm = ModifiedEsmModel(config, add_pooling_layer=False) self.lm_head = EsmLMHead(config) self.init_weights() self.pad_id = config.pad_token_id self.contact_head = None def forward( self, input_ids=None, attention_mask=None, type_ids=None, inputs_embeds=None, decoder_input_ids=None, decoder_attention_mask=None, decoder_inputs_embeds=None, labels=None, output_attentions=None, output_hidden_states=None, return_dict=None, encoder_hidden_states=None, encoder_attention_mask=None, ): if attention_mask is None: attention_mask = input_ids.ne(self.pad_id) outputs = self.esm( input_ids=input_ids, inputs_embeds=inputs_embeds, attention_mask=attention_mask, encoder_hidden_states=encoder_hidden_states, encoder_attention_mask=encoder_attention_mask, type_ids=type_ids, ) sequence_output = outputs[0] logits = self.lm_head(sequence_output) result = { "logits": logits, "last_hidden_state": sequence_output, } return result def forward_encoder(self, batch, **kwargs): return {} def get_non_special_sym_mask(self, output_tokens, partial_masks=None): non_special_sym_mask = ( output_tokens.ne(self.pad_id) & output_tokens.ne(self.bos_id) & output_tokens.ne(self.eos_id) ) if partial_masks is not None: non_special_sym_mask &= ~partial_masks return non_special_sym_mask def _get_resized_embeddings( self, old_embeddings: nn.Embedding, new_num_tokens: Optional[int] = None, pad_to_multiple_of: Optional[int] = None, ) -> nn.Embedding: """Build a resized Embedding Module from a provided token Embedding Module. Increasing the size will add newly initialized vectors at the end. Reducing the size will remove vectors from the end. Args: old_embeddings (`torch.nn.Embedding`): Old embeddings to be resized. new_num_tokens (`int`, *optional*): New number of tokens in the embedding matrix. Increasing the size will add newly initialized vectors at the end. Reducing the size will remove vectors from the end. If not provided or `None`, just returns a pointer to the input tokens `torch.nn.Embedding` module of the model without doing anything. pad_to_multiple_of (`int`, *optional*): If set will pad the embedding matrix to a multiple of the provided value. If `new_num_tokens` is set to `None` will just pad the embedding to a multiple of `pad_to_multiple_of`. This is especially useful to enable the use of Tensor Cores on NVIDIA hardware with compute capability `>= 7.5` (Volta), or on TPUs which benefit from having sequence lengths be a multiple of 128. For more details about this, or help on choosing the correct value for resizing, refer to this guide: https://docs.nvidia.com/deeplearning/performance/dl-performance-matrix-multiplication/index.html#requirements-tc Return: `torch.nn.Embedding`: Pointer to the resized Embedding Module or the old Embedding Module if `new_num_tokens` is `None` """ if pad_to_multiple_of is not None: if not isinstance(pad_to_multiple_of, int): raise ValueError( f"Asking to pad the embedding matrix to a multiple of `{pad_to_multiple_of}`, which is not and integer. Please make sure to pass an integer" ) if new_num_tokens is None: new_num_tokens = old_embeddings.weight.shape[0] new_num_tokens = ( (new_num_tokens + pad_to_multiple_of - 1) // pad_to_multiple_of ) * pad_to_multiple_of else: logger.info( "You are resizing the embedding layer without providing a `pad_to_multiple_of` parameter. This means that the new embedding" f" dimension will be {new_num_tokens}. This might induce some performance reduction as *Tensor Cores* will not be available." " For more details about this, or help on choosing the correct value for resizing, refer to this guide:" " https://docs.nvidia.com/deeplearning/performance/dl-performance-matrix-multiplication/index.html#requirements-tc" ) if new_num_tokens is None: return old_embeddings # NOT support deepspeed zero 3 here old_num_tokens, old_embedding_dim = old_embeddings.weight.size() if ( old_num_tokens == new_num_tokens ): # and not is_deepspeed_zero3_enabled(): return old_embeddings if not isinstance(old_embeddings, nn.Embedding): raise TypeError( f"Old embeddings are of type {type(old_embeddings)}, which is not an instance of {nn.Embedding}. You" " should either use a different resize function or make sure that `old_embeddings` are an instance of" f" {nn.Embedding}." ) # Build new embeddings new_embeddings = nn.Embedding( new_num_tokens, old_embedding_dim, device=old_embeddings.weight.device, dtype=old_embeddings.weight.dtype, ) # initialize all new embeddings (in particular added tokens) self._init_weights(new_embeddings) # Copy token embeddings from the previous weights # numbers of tokens to copy n = min(old_num_tokens, new_num_tokens) new_embeddings.weight.data[:n, :] = old_embeddings.weight.data[:n, :] # reinitialize the added tokens ptrn_emb_mean = old_embeddings.weight.data.mean(dim=0).repeat( new_num_tokens - old_num_tokens, 1 ) ptrn_emb_std = old_embeddings.weight.data.std(dim=0).repeat( new_num_tokens - old_num_tokens, 1 ) new_embeddings.weight.data[n:, :] = torch.normal( mean=ptrn_emb_mean, std=ptrn_emb_std ) return new_embeddings ================================================ FILE: src/byprot/models/structok/modules/ema.py ================================================ # Original file was released under CreativeML Open RAIL-M, with the full license text # available at https://github.com/CompVis/stable-diffusion/blob/main/LICENSE # # This modified file is released under the same license. import torch from torch import nn class LitEma(nn.Module): def __init__(self, model, decay=0.9999, use_num_upates=True): super().__init__() if decay < 0.0 or decay > 1.0: raise ValueError("Decay must be between 0 and 1") self.m_name2s_name = {} self.register_buffer("decay", torch.tensor(decay, dtype=torch.float32)) self.register_buffer( "num_updates", torch.tensor(0, dtype=torch.int) if use_num_upates else torch.tensor(-1, dtype=torch.int), ) for name, p in model.named_parameters(): if p.requires_grad: # remove as '.'-character is not allowed in buffers s_name = name.replace(".", "") self.m_name2s_name.update({name: s_name}) self.register_buffer(s_name, p.clone().detach().data) self.collected_params = [] def forward(self, model): decay = self.decay if self.num_updates >= 0: self.num_updates += 1 decay = min( self.decay, (1 + self.num_updates) / (10 + self.num_updates) ) one_minus_decay = 1.0 - decay with torch.no_grad(): m_param = dict(model.named_parameters()) shadow_params = dict(self.named_buffers()) for key in m_param: if m_param[key].requires_grad: sname = self.m_name2s_name[key] shadow_params[sname] = shadow_params[sname].type_as( m_param[key] ) shadow_params[sname].sub_( one_minus_decay * (shadow_params[sname] - m_param[key]) ) else: assert not key in self.m_name2s_name def copy_to(self, model): m_param = dict(model.named_parameters()) shadow_params = dict(self.named_buffers()) for key in m_param: if m_param[key].requires_grad: m_param[key].data.copy_( shadow_params[self.m_name2s_name[key]].data ) else: assert not key in self.m_name2s_name def store(self, parameters): """Save the current parameters for restoring later. Args: parameters: Iterable of `torch.nn.Parameter`; the parameters to be temporarily stored. """ self.collected_params = [param.clone() for param in parameters] def restore(self, parameters): """Restore the parameters stored with the `store` method. Useful to validate the model with EMA parameters without affecting the original optimization process. Store the parameters before the `copy_to` method. After validation (or model saving), use this to restore the former parameters. Args: parameters: Iterable of `torch.nn.Parameter`; the parameters to be updated with the stored parameters. """ for c_param, param in zip(self.collected_params, parameters): param.data.copy_(c_param.data) ================================================ FILE: src/byprot/models/structok/modules/folding_utils/__init__.py ================================================ ================================================ FILE: src/byprot/models/structok/modules/folding_utils/categorical_mixture.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import torch class CategoricalMixture: def __init__(self, param, bins=50, start=0, end=1): # All tensors are of shape ..., bins. self.logits = param bins = torch.linspace( start, end, bins + 1, device=self.logits.device, dtype=self.logits.dtype, ) self.v_bins = (bins[:-1] + bins[1:]) / 2 def log_prob(self, true): # Shapes are: # self.probs: ... x bins # true : ... true_index = ( ( true.unsqueeze(-1) - self.v_bins[ [ None, ] * true.ndim ] ) .abs() .argmin(-1) ) nll = self.logits.log_softmax(-1) return torch.take_along_dim( nll, true_index.unsqueeze(-1), dim=-1 ).squeeze(-1) def mean(self): return (self.logits.softmax(-1) @ self.v_bins.unsqueeze(1)).squeeze(-1) def categorical_lddt(logits, bins=50): # Logits are ..., 37, bins. return CategoricalMixture(logits, bins=bins).mean() ================================================ FILE: src/byprot/models/structok/modules/folding_utils/decoder.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/facebookresearch/esm/blob/main/LICENSE # # This modified file is released under the same license. # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import typing as T from dataclasses import dataclass from functools import partial import esm import torch import torch.nn as nn from esm import Alphabet from omegaconf import DictConfig, OmegaConf from openfold.data.data_transforms import make_atom14_masks from openfold.np import residue_constants from openfold.utils.feats import atom14_to_atom37 from openfold.utils.loss import compute_predicted_aligned_error, compute_tm from torch import nn from torch.nn import LayerNorm from byprot.utils.config import merge_config from .categorical_mixture import categorical_lddt from .esmfold import ESMFold from .misc import batch_encode_sequences, collate_dense_tensors, output_to_pdb from .trunk import FoldingTrunk, FoldingTrunkConfig @dataclass class ESMFoldConfig: trunk: T.Any = FoldingTrunkConfig() lddt_head_hid_dim: int = 128 use_esm_attn_map: bool = False input_dim: int = 256 load_fn = esm.pretrained.load_model_and_alphabet esm_registry = { # "esm2_8M": partial(load_fn, "esm2_t6_8M_UR50D_500K"), "esm2_8M": partial(load_fn, "esm2_t6_8M_UR50D"), "esm2_8M_270K": esm.pretrained.esm2_t6_8M_UR50D, "esm2_35M": partial(load_fn, "esm2_t12_35M_UR50D_500K"), "esm2_35M_270K": esm.pretrained.esm2_t12_35M_UR50D, "esm2_150M": partial(load_fn, "esm2_t30_150M_UR50D_500K"), "esm2_150M_270K": partial(load_fn, "esm2_t30_150M_UR50D_270K"), "esm2_650M": esm.pretrained.esm2_t33_650M_UR50D, "esm2_650M_270K": partial(load_fn, "esm2_t33_650M_270K_UR50D"), "esm2_3B": esm.pretrained.esm2_t36_3B_UR50D, "esm2_3B_270K": partial(load_fn, "esm2_t36_3B_UR50D_500K"), "esm2_15B": esm.pretrained.esm2_t48_15B_UR50D, } class ESMFoldStructureDecoder(nn.Module): def __init__(self, esmfold_config=None, **kwargs): super().__init__() self.cfg = ( esmfold_config if esmfold_config else merge_config(ESMFoldConfig(), kwargs) ) self.cfg = OmegaConf.create(self.cfg) OmegaConf.set_struct(self.cfg, False) cfg = self.cfg self.distogram_bins = 64 cfg.esm_type = "esm2_8M" self.esm, self.esm_dict = esm_registry.get(cfg.esm_type)() # del self.esm # self.esm.requires_grad_(False) # self.esm.half() self.input_dim = cfg.input_dim # self.esm.embed_dim self.esm_attns = self.esm.num_layers * self.esm.attention_heads self.register_buffer("af2_to_esm", ESMFold._af2_to_esm(self.esm_dict)) self.esm_s_combine = nn.Parameter(torch.zeros(self.esm.num_layers + 1)) c_s = cfg.trunk.sequence_state_dim c_z = cfg.trunk.pairwise_state_dim self.c_s, self.c_z = c_s, c_z self.esm_s_mlp = nn.Sequential( LayerNorm(self.input_dim), nn.Linear(self.input_dim, c_s), nn.ReLU(), nn.Linear(c_s, c_s), ) if cfg.use_esm_attn_map: self.input_pairwise_dim = cfg.input_dim * 2 self.esm_z_mlp = nn.Sequential( LayerNorm(self.input_pairwise_dim), nn.Linear(self.input_pairwise_dim, c_z), nn.ReLU(), nn.Linear(c_z, c_z), ) # 0 is padding, N is unknown residues, N + 1 is mask. self.n_tokens_embed = residue_constants.restype_num + 3 self.pad_idx = 0 self.unk_idx = self.n_tokens_embed - 2 self.mask_idx = self.n_tokens_embed - 1 self.embedding = nn.Embedding(self.n_tokens_embed, c_s, padding_idx=0) self.trunk = FoldingTrunk(**cfg.trunk) self.distogram_head = nn.Linear(c_z, self.distogram_bins) self.ptm_head = nn.Linear(c_z, self.distogram_bins) self.lm_head = nn.Linear(c_s, self.n_tokens_embed) self.lddt_bins = 50 self.lddt_head = nn.Sequential( nn.LayerNorm(cfg.trunk.structure_module.c_s), nn.Linear(cfg.trunk.structure_module.c_s, cfg.lddt_head_hid_dim), nn.Linear(cfg.lddt_head_hid_dim, cfg.lddt_head_hid_dim), nn.Linear(cfg.lddt_head_hid_dim, 37 * self.lddt_bins), ) @staticmethod def _af2_to_esm(d: Alphabet): # Remember that t is shifted from residue_constants by 1 (0 is padding). esm_reorder = [d.padding_idx] + [ d.get_idx(v) for v in residue_constants.restypes_with_x ] return torch.tensor(esm_reorder) def _af2_idx_to_esm_idx(self, aa, mask): aa = (aa + 1).masked_fill(mask != 1, 0) return self.af2_to_esm[aa] def _esm_idx_to_af2_idx(self, esmaa, mask): ... def _compute_language_model_representations( self, esmaa: torch.Tensor ) -> torch.Tensor: """Adds bos/eos tokens for the language model, since the structure module doesn't use these.""" batch_size = esmaa.size(0) bosi, eosi = self.esm_dict.cls_idx, self.esm_dict.eos_idx bos = esmaa.new_full((batch_size, 1), bosi) eos = esmaa.new_full((batch_size, 1), self.esm_dict.padding_idx) esmaa = torch.cat([bos, esmaa, eos], dim=1) # Use the first padding index as eos during inference. esmaa[range(batch_size), (esmaa != 1).sum(1)] = eosi res = self.esm( esmaa, repr_layers=range(self.esm.num_layers + 1), need_head_weights=self.cfg.use_esm_attn_map, ) esm_s = torch.stack( [v for _, v in sorted(res["representations"].items())], dim=2 ) esm_s = esm_s[:, 1:-1] # B, L, nLayers, C esm_z = ( res["attentions"] .permute(0, 4, 3, 1, 2) .flatten(3, 4)[:, 1:-1, 1:-1, :] if self.cfg.use_esm_attn_map else None ) return esm_s, esm_z def _compute_input_representations(self, emb_s, emb_z, esmaa): # we assume that emb_s and emb_z already contain bos & eos embedding return emb_s, emb_z def _mask_inputs_to_esm(self, esmaa, pattern): new_esmaa = esmaa.clone() new_esmaa[pattern == 1] = self.esm_dict.mask_idx return new_esmaa def forward( self, emb_s: torch.Tensor, emb_z: torch.Tensor, aa: torch.Tensor = None, esmaa: torch.Tensor = None, mask: T.Optional[torch.Tensor] = None, residx: T.Optional[torch.Tensor] = None, masking_pattern: T.Optional[torch.Tensor] = None, num_recycles: T.Optional[int] = None, return_features_only=False, ): """Runs a forward pass given input tokens. Use `model.infer` to run inference from a sequence. Args: aa (torch.Tensor): Tensor containing indices corresponding to amino acids. Indices match openfold.np.residue_constants.restype_order_with_x. mask (torch.Tensor): Binary tensor with 1 meaning position is unmasked and 0 meaning position is masked. residx (torch.Tensor): Residue indices of amino acids. Will assume contiguous if not provided. masking_pattern (torch.Tensor): Optional masking to pass to the input. Binary tensor of the same size as `aa`. Positions with 1 will be masked. ESMFold sometimes produces different samples when different masks are provided. num_recycles (int): How many recycle iterations to perform. If None, defaults to training max recycles, which is 3. """ B = aa.shape[0] L = aa.shape[1] device = aa.device # === ESM === if esmaa is None: esmaa = self._af2_idx_to_esm_idx(aa, mask) if mask is None: mask = torch.ones_like(esmaa) if residx is None: residx = torch.arange(L, device=device).expand_as(esmaa) if masking_pattern is not None: esmaa = self._mask_inputs_to_esm(esmaa, masking_pattern) # esm_s, esm_z = self._compute_language_model_representations(esmaa) esm_s, esm_z = self._compute_input_representations(emb_s, emb_z, esmaa) # Convert esm_s to the precision used by the trunk and # the structure module. These tensors may be a lower precision if, for example, # we're running the language model in fp16 precision. esm_s = esm_s.to(self.esm_s_combine.dtype) # esm_s = esm_s.detach() # === preprocessing === # esm_s = (self.esm_s_combine.softmax(0).unsqueeze(0) @ esm_s).squeeze(2) s_s_0 = self.esm_s_mlp(esm_s) # s_s_0 += self.embedding(aa) if self.cfg.use_esm_attn_map: esm_z = esm_z.to(self.esm_s_combine.dtype) # esm_z = esm_z.detach() s_z_0 = self.esm_z_mlp(esm_z) else: s_z_0 = s_s_0.new_zeros(B, L, L, self.cfg.trunk.pairwise_state_dim) # === forward trunk === pseudo_aa = torch.zeros_like(aa) structure: dict = self.trunk( s_s_0, s_z_0, pseudo_aa, residx, mask, no_recycles=num_recycles, return_features_only=return_features_only, ) # Documenting what we expect: structure = { k: v for k, v in structure.items() if k in [ "s_z", "s_s", "frames", "sidechain_frames", "unnormalized_angles", "angles", "positions", "states", ] } if return_features_only: return structure disto_logits = self.distogram_head(structure["s_z"]) disto_logits = (disto_logits + disto_logits.transpose(1, 2)) / 2 structure["distogram_logits"] = disto_logits lm_logits = self.lm_head(structure["s_s"]) structure["lm_logits"] = lm_logits structure["aatype"] = aa make_atom14_masks(structure) for k in [ "atom14_atom_exists", "atom37_atom_exists", ]: structure[k] *= mask.unsqueeze(-1) structure["residue_index"] = residx lddt_head = self.lddt_head(structure["states"]).reshape( structure["states"].shape[0], B, L, -1, self.lddt_bins ) structure["lddt_head"] = lddt_head plddt = categorical_lddt(lddt_head[-1], bins=self.lddt_bins) structure["plddt"] = ( 100 * plddt ) # we predict plDDT between 0 and 1, scale to be between 0 and 100. # ptm_logits = self.ptm_head(structure["s_z"]) # seqlen = mask.type(torch.int64).sum(1) # structure["ptm_logits"] = ptm_logits # structure["ptm"] = torch.stack( # [ # compute_tm( # batch_ptm_logits[None, :sl, :sl], # max_bins=31, # no_bins=self.distogram_bins, # ) # for batch_ptm_logits, sl in zip(ptm_logits, seqlen) # ] # ) # structure.update( # compute_predicted_aligned_error( # ptm_logits, max_bin=31, no_bins=self.distogram_bins # ) # ) structure["final_atom_positions"] = atom14_to_atom37( structure["positions"][-1], structure ) structure["sm"] = { "frames": structure["frames"], "positions": structure["positions"], } return structure @torch.no_grad() def infer( self, sequences: T.Union[str, T.List[str]], residx=None, masking_pattern: T.Optional[torch.Tensor] = None, num_recycles: T.Optional[int] = None, residue_index_offset: T.Optional[int] = 512, chain_linker: T.Optional[str] = "G" * 25, ): """Runs a forward pass given input sequences. Args: sequences (Union[str, List[str]]): A list of sequences to make predictions for. Multimers can also be passed in, each chain should be separated by a ':' token (e.g. "::"). residx (torch.Tensor): Residue indices of amino acids. Will assume contiguous if not provided. masking_pattern (torch.Tensor): Optional masking to pass to the input. Binary tensor of the same size as `aa`. Positions with 1 will be masked. ESMFold sometimes produces different samples when different masks are provided. num_recycles (int): How many recycle iterations to perform. If None, defaults to training max recycles (cfg.trunk.max_recycles), which is 4. residue_index_offset (int): Residue index separation between chains if predicting a multimer. Has no effect on single chain predictions. Default: 512. chain_linker (str): Linker to use between chains if predicting a multimer. Has no effect on single chain predictions. Default: length-25 poly-G ("G" * 25). """ if isinstance(sequences, str): sequences = [sequences] ( aatype, mask, _residx, linker_mask, chain_index, ) = batch_encode_sequences( sequences, residue_index_offset, chain_linker ) if residx is None: residx = _residx elif not isinstance(residx, torch.Tensor): residx = collate_dense_tensors(residx) aatype, mask, residx, linker_mask = map( lambda x: x.to(self.device), (aatype, mask, residx, linker_mask) ) output = self.forward( aatype, mask=mask, residx=residx, masking_pattern=masking_pattern, num_recycles=num_recycles, ) output["atom37_atom_exists"] = output[ "atom37_atom_exists" ] * linker_mask.unsqueeze(2) output["mean_plddt"] = ( output["plddt"] * output["atom37_atom_exists"] ).sum(dim=(1, 2)) / output["atom37_atom_exists"].sum(dim=(1, 2)) output["chain_index"] = chain_index return output def output_to_pdb(self, output: T.Dict) -> T.List[str]: """Returns the pbd (file) string from the model given the model output.""" return output_to_pdb(output) def infer_pdbs(self, seqs: T.List[str], *args, **kwargs) -> T.List[str]: """Returns list of pdb (files) strings from the model given a list of input sequences.""" output = self.infer(seqs, *args, **kwargs) return self.output_to_pdb(output) def infer_pdb(self, sequence: str, *args, **kwargs) -> str: """Returns the pdb (file) string from the model given an input sequence.""" return self.infer_pdbs([sequence], *args, **kwargs)[0] def set_chunk_size(self, chunk_size: T.Optional[int]): # This parameter means the axial attention will be computed # in a chunked manner. This should make the memory used more or less O(L) instead of O(L^2). # It's equivalent to running a for loop over chunks of the dimension we're iterative over, # where the chunk_size is the size of the chunks, so 128 would mean to parse 128-lengthed chunks. # Setting the value to None will return to default behavior, disable chunking. self.trunk.set_chunk_size(chunk_size) @property def device(self): return self.esm_s_combine.device ================================================ FILE: src/byprot/models/structok/modules/folding_utils/esmfold.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import typing as T from dataclasses import dataclass from functools import partial import esm import torch import torch.nn as nn from esm import Alphabet from esm.esmfold.v1.categorical_mixture import categorical_lddt from esm.esmfold.v1.misc import batch_encode_sequences, collate_dense_tensors, output_to_pdb from esm.esmfold.v1.trunk import FoldingTrunk, FoldingTrunkConfig from openfold.data.data_transforms import make_atom14_masks from openfold.np import residue_constants from openfold.utils.loss import compute_predicted_aligned_error, compute_tm from torch import nn from torch.nn import LayerNorm @dataclass class ESMFoldConfig: trunk: T.Any = FoldingTrunkConfig() lddt_head_hid_dim: int = 128 load_fn = esm.pretrained.load_model_and_alphabet esm_registry = { "esm2_8M": partial(load_fn, "esm2_t6_8M_UR50D_500K"), "esm2_8M_270K": esm.pretrained.esm2_t6_8M_UR50D, "esm2_35M": partial(load_fn, "esm2_t12_35M_UR50D_500K"), "esm2_35M_270K": esm.pretrained.esm2_t12_35M_UR50D, "esm2_150M": partial(load_fn, "esm2_t30_150M_UR50D_500K"), "esm2_150M_270K": partial(load_fn, "esm2_t30_150M_UR50D_270K"), "esm2_650M": esm.pretrained.esm2_t33_650M_UR50D, "esm2_650M_270K": partial(load_fn, "esm2_t33_650M_270K_UR50D"), "esm2_3B": esm.pretrained.esm2_t36_3B_UR50D, "esm2_3B_270K": partial(load_fn, "esm2_t36_3B_UR50D_500K"), "esm2_15B": esm.pretrained.esm2_t48_15B_UR50D, } class ESMFold(nn.Module): def __init__(self, esmfold_config=None, **kwargs): super().__init__() self.cfg = esmfold_config if esmfold_config else ESMFoldConfig(**kwargs) cfg = self.cfg self.distogram_bins = 64 self.esm, self.esm_dict = esm_registry.get(cfg.esm_type)() self.esm.requires_grad_(False) self.esm.half() self.esm_feats = self.esm.embed_dim self.esm_attns = self.esm.num_layers * self.esm.attention_heads self.register_buffer("af2_to_esm", ESMFold._af2_to_esm(self.esm_dict)) self.esm_s_combine = nn.Parameter(torch.zeros(self.esm.num_layers + 1)) c_s = cfg.trunk.sequence_state_dim c_z = cfg.trunk.pairwise_state_dim self.esm_s_mlp = nn.Sequential( LayerNorm(self.esm_feats), nn.Linear(self.esm_feats, c_s), nn.ReLU(), nn.Linear(c_s, c_s), ) if cfg.use_esm_attn_map: self.esm_z_mlp = nn.Sequential( LayerNorm(self.esm_attns), nn.Linear(self.esm_attns, c_z), nn.ReLU(), nn.Linear(c_z, c_z), ) # 0 is padding, N is unknown residues, N + 1 is mask. self.n_tokens_embed = residue_constants.restype_num + 3 self.pad_idx = 0 self.unk_idx = self.n_tokens_embed - 2 self.mask_idx = self.n_tokens_embed - 1 self.embedding = nn.Embedding(self.n_tokens_embed, c_s, padding_idx=0) self.trunk = FoldingTrunk(**cfg.trunk) self.distogram_head = nn.Linear(c_z, self.distogram_bins) self.ptm_head = nn.Linear(c_z, self.distogram_bins) self.lm_head = nn.Linear(c_s, self.n_tokens_embed) self.lddt_bins = 50 self.lddt_head = nn.Sequential( nn.LayerNorm(cfg.trunk.structure_module.c_s), nn.Linear(cfg.trunk.structure_module.c_s, cfg.lddt_head_hid_dim), nn.Linear(cfg.lddt_head_hid_dim, cfg.lddt_head_hid_dim), nn.Linear(cfg.lddt_head_hid_dim, 37 * self.lddt_bins), ) @staticmethod def _af2_to_esm(d: Alphabet): # Remember that t is shifted from residue_constants by 1 (0 is padding). esm_reorder = [d.padding_idx] + [ d.get_idx(v) for v in residue_constants.restypes_with_x ] return torch.tensor(esm_reorder) def _af2_idx_to_esm_idx(self, aa, mask): aa = (aa + 1).masked_fill(mask != 1, 0) return self.af2_to_esm[aa] def _compute_language_model_representations(self, esmaa: torch.Tensor) -> torch.Tensor: """Adds bos/eos tokens for the language model, since the structure module doesn't use these.""" batch_size = esmaa.size(0) bosi, eosi = self.esm_dict.cls_idx, self.esm_dict.eos_idx bos = esmaa.new_full((batch_size, 1), bosi) eos = esmaa.new_full((batch_size, 1), self.esm_dict.padding_idx) esmaa = torch.cat([bos, esmaa, eos], dim=1) # Use the first padding index as eos during inference. esmaa[range(batch_size), (esmaa != 1).sum(1)] = eosi res = self.esm( esmaa, repr_layers=range(self.esm.num_layers + 1), need_head_weights=self.cfg.use_esm_attn_map, ) esm_s = torch.stack([v for _, v in sorted(res["representations"].items())], dim=2) esm_s = esm_s[:, 1:-1] # B, L, nLayers, C esm_z = ( res["attentions"].permute(0, 4, 3, 1, 2).flatten(3, 4)[:, 1:-1, 1:-1, :] if self.cfg.use_esm_attn_map else None ) return esm_s, esm_z def _mask_inputs_to_esm(self, esmaa, pattern): new_esmaa = esmaa.clone() new_esmaa[pattern == 1] = self.esm_dict.mask_idx return new_esmaa def forward( self, aa: torch.Tensor, mask: T.Optional[torch.Tensor] = None, residx: T.Optional[torch.Tensor] = None, masking_pattern: T.Optional[torch.Tensor] = None, num_recycles: T.Optional[int] = None, ): """Runs a forward pass given input tokens. Use `model.infer` to run inference from a sequence. Args: aa (torch.Tensor): Tensor containing indices corresponding to amino acids. Indices match openfold.np.residue_constants.restype_order_with_x. mask (torch.Tensor): Binary tensor with 1 meaning position is unmasked and 0 meaning position is masked. residx (torch.Tensor): Residue indices of amino acids. Will assume contiguous if not provided. masking_pattern (torch.Tensor): Optional masking to pass to the input. Binary tensor of the same size as `aa`. Positions with 1 will be masked. ESMFold sometimes produces different samples when different masks are provided. num_recycles (int): How many recycle iterations to perform. If None, defaults to training max recycles, which is 3. """ if mask is None: mask = torch.ones_like(aa) B = aa.shape[0] L = aa.shape[1] device = aa.device if residx is None: residx = torch.arange(L, device=device).expand_as(aa) # === ESM === esmaa = self._af2_idx_to_esm_idx(aa, mask) if masking_pattern is not None: esmaa = self._mask_inputs_to_esm(esmaa, masking_pattern) esm_s, esm_z = self._compute_language_model_representations(esmaa) # Convert esm_s to the precision used by the trunk and # the structure module. These tensors may be a lower precision if, for example, # we're running the language model in fp16 precision. esm_s = esm_s.to(self.esm_s_combine.dtype) esm_s = esm_s.detach() # === preprocessing === esm_s = (self.esm_s_combine.softmax(0).unsqueeze(0) @ esm_s).squeeze(2) s_s_0 = self.esm_s_mlp(esm_s) if self.cfg.use_esm_attn_map: esm_z = esm_z.to(self.esm_s_combine.dtype) esm_z = esm_z.detach() s_z_0 = self.esm_z_mlp(esm_z) else: s_z_0 = s_s_0.new_zeros(B, L, L, self.cfg.trunk.pairwise_state_dim) s_s_0 += self.embedding(aa) structure: dict = self.trunk(s_s_0, s_z_0, aa, residx, mask, no_recycles=num_recycles) # Documenting what we expect: structure = { k: v for k, v in structure.items() if k in [ "s_z", "s_s", "frames", "sidechain_frames", "unnormalized_angles", "angles", "positions", "states", ] } disto_logits = self.distogram_head(structure["s_z"]) disto_logits = (disto_logits + disto_logits.transpose(1, 2)) / 2 structure["distogram_logits"] = disto_logits lm_logits = self.lm_head(structure["s_s"]) structure["lm_logits"] = lm_logits structure["aatype"] = aa make_atom14_masks(structure) for k in [ "atom14_atom_exists", "atom37_atom_exists", ]: structure[k] *= mask.unsqueeze(-1) structure["residue_index"] = residx lddt_head = self.lddt_head(structure["states"]).reshape( structure["states"].shape[0], B, L, -1, self.lddt_bins ) structure["lddt_head"] = lddt_head plddt = categorical_lddt(lddt_head[-1], bins=self.lddt_bins) structure["plddt"] = ( 100 * plddt ) # we predict plDDT between 0 and 1, scale to be between 0 and 100. ptm_logits = self.ptm_head(structure["s_z"]) seqlen = mask.type(torch.int64).sum(1) structure["ptm_logits"] = ptm_logits structure["ptm"] = torch.stack( [ compute_tm( batch_ptm_logits[None, :sl, :sl], max_bins=31, no_bins=self.distogram_bins, ) for batch_ptm_logits, sl in zip(ptm_logits, seqlen) ] ) structure.update( compute_predicted_aligned_error( ptm_logits, max_bin=31, no_bins=self.distogram_bins ) ) return structure @torch.no_grad() def infer( self, sequences: T.Union[str, T.List[str]], residx=None, masking_pattern: T.Optional[torch.Tensor] = None, num_recycles: T.Optional[int] = None, residue_index_offset: T.Optional[int] = 512, chain_linker: T.Optional[str] = "G" * 25, ): """Runs a forward pass given input sequences. Args: sequences (Union[str, List[str]]): A list of sequences to make predictions for. Multimers can also be passed in, each chain should be separated by a ':' token (e.g. "::"). residx (torch.Tensor): Residue indices of amino acids. Will assume contiguous if not provided. masking_pattern (torch.Tensor): Optional masking to pass to the input. Binary tensor of the same size as `aa`. Positions with 1 will be masked. ESMFold sometimes produces different samples when different masks are provided. num_recycles (int): How many recycle iterations to perform. If None, defaults to training max recycles (cfg.trunk.max_recycles), which is 4. residue_index_offset (int): Residue index separation between chains if predicting a multimer. Has no effect on single chain predictions. Default: 512. chain_linker (str): Linker to use between chains if predicting a multimer. Has no effect on single chain predictions. Default: length-25 poly-G ("G" * 25). """ if isinstance(sequences, str): sequences = [sequences] aatype, mask, _residx, linker_mask, chain_index = batch_encode_sequences( sequences, residue_index_offset, chain_linker ) if residx is None: residx = _residx elif not isinstance(residx, torch.Tensor): residx = collate_dense_tensors(residx) aatype, mask, residx, linker_mask = map( lambda x: x.to(self.device), (aatype, mask, residx, linker_mask) ) output = self.forward( aatype, mask=mask, residx=residx, masking_pattern=masking_pattern, num_recycles=num_recycles, ) output["atom37_atom_exists"] = output["atom37_atom_exists"] * linker_mask.unsqueeze(2) output["mean_plddt"] = (output["plddt"] * output["atom37_atom_exists"]).sum( dim=(1, 2) ) / output["atom37_atom_exists"].sum(dim=(1, 2)) output["chain_index"] = chain_index return output def output_to_pdb(self, output: T.Dict) -> T.List[str]: """Returns the pbd (file) string from the model given the model output.""" return output_to_pdb(output) def infer_pdbs(self, seqs: T.List[str], *args, **kwargs) -> T.List[str]: """Returns list of pdb (files) strings from the model given a list of input sequences.""" output = self.infer(seqs, *args, **kwargs) return self.output_to_pdb(output) def infer_pdb(self, sequence: str, *args, **kwargs) -> str: """Returns the pdb (file) string from the model given an input sequence.""" return self.infer_pdbs([sequence], *args, **kwargs)[0] def set_chunk_size(self, chunk_size: T.Optional[int]): # This parameter means the axial attention will be computed # in a chunked manner. This should make the memory used more or less O(L) instead of O(L^2). # It's equivalent to running a for loop over chunks of the dimension we're iterative over, # where the chunk_size is the size of the chunks, so 128 would mean to parse 128-lengthed chunks. # Setting the value to None will return to default behavior, disable chunking. self.trunk.set_chunk_size(chunk_size) @property def device(self): return self.esm_s_combine.device ================================================ FILE: src/byprot/models/structok/modules/folding_utils/misc.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/facebookresearch/esm/blob/main/LICENSE # # This modified file is released under the same license. # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import typing as T import numpy as np import torch import torch.nn.functional as F from einops import rearrange, repeat from openfold.np import residue_constants from openfold.np.protein import Protein as OFProtein from openfold.np.protein import to_pdb from openfold.utils.feats import atom14_to_atom37 from torch import nn from byprot.datamodules.pdb_dataset import all_atom def encode_sequence( seq: str, residue_index_offset: T.Optional[int] = 512, chain_linker: T.Optional[str] = "G" * 25, ) -> T.Tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: if chain_linker is None: chain_linker = "" if residue_index_offset is None: residue_index_offset = 0 chains = seq.split(":") seq = chain_linker.join(chains) unk_idx = residue_constants.restype_order_with_x["X"] encoded = torch.tensor( [residue_constants.restype_order_with_x.get(aa, unk_idx) for aa in seq] ) residx = torch.arange(len(encoded)) if residue_index_offset > 0: start = 0 for i, chain in enumerate(chains): residx[start : start + len(chain) + len(chain_linker)] += ( i * residue_index_offset ) start += len(chain) + len(chain_linker) linker_mask = torch.ones_like(encoded, dtype=torch.float32) chain_index = [] offset = 0 for i, chain in enumerate(chains): if i > 0: chain_index.extend([i - 1] * len(chain_linker)) chain_index.extend([i] * len(chain)) offset += len(chain) linker_mask[offset : offset + len(chain_linker)] = 0 offset += len(chain_linker) chain_index = torch.tensor(chain_index, dtype=torch.int64) return encoded, residx, linker_mask, chain_index def batch_encode_sequences( sequences: T.Sequence[str], residue_index_offset: T.Optional[int] = 512, chain_linker: T.Optional[str] = "G" * 25, ) -> T.Tuple[ torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor ]: aatype_list = [] residx_list = [] linker_mask_list = [] chain_index_list = [] for seq in sequences: ( aatype_seq, residx_seq, linker_mask_seq, chain_index_seq, ) = encode_sequence( seq, residue_index_offset=residue_index_offset, chain_linker=chain_linker, ) aatype_list.append(aatype_seq) residx_list.append(residx_seq) linker_mask_list.append(linker_mask_seq) chain_index_list.append(chain_index_seq) aatype = collate_dense_tensors(aatype_list) mask = collate_dense_tensors( [aatype.new_ones(len(aatype_seq)) for aatype_seq in aatype_list] ) residx = collate_dense_tensors(residx_list) linker_mask = collate_dense_tensors(linker_mask_list) chain_index_list = collate_dense_tensors(chain_index_list, -1) return aatype, mask, residx, linker_mask, chain_index_list def output_to_pdb(output: T.Dict) -> T.List[str]: """Returns the pbd (file) string from the model given the model output.""" # atom14_to_atom37 must be called first, as it fails on latest numpy if the # input is a numpy array. It will work if the input is a torch tensor. if "atom37_positions" not in output: final_atom37_positions = atom14_to_atom37( output["positions"][-1], output ) else: final_atom37_positions = output["atom37_positions"] if "atom37_mask" not in output: final_atom37_mask = output["atom37_atom_exists"] else: final_atom37_mask = output["atom37_mask"] # adjust Oxygens final_atom37_positions = torch.stack( list( map( lambda x, y: all_atom.adjust_oxygen_pos(x, y), torch.unbind(final_atom37_positions.cpu(), dim=0), torch.unbind(final_atom37_mask[..., 0].cpu(), dim=0), ) ) ) output = {k: v.to("cpu").numpy() for k, v in output.items()} final_atom37_positions = final_atom37_positions.cpu().numpy() final_atom37_mask = final_atom37_mask.cpu().numpy() pdbs = [] for i in range(output["aatype"].shape[0]): aa = output["aatype"][i] pred_atom37_pos = final_atom37_positions[i] mask = final_atom37_mask[i] resid = output["residue_index"][i] + 1 pred = OFProtein( aatype=aa, atom_positions=pred_atom37_pos, atom_mask=mask, residue_index=resid, b_factors=output["plddt"][i], chain_index=output["chain_index"][i] if "chain_index" in output else None, ) pdbs.append(to_pdb(pred)) return pdbs def collate_dense_tensors( samples: T.List[torch.Tensor], pad_v: float = 0 ) -> torch.Tensor: """Takes a list of tensors with the following dimensions: [(d_11, ..., d_1K), (d_21, ..., d_2K), ..., (d_N1, ..., d_NK)] and stack + pads them into a single tensor of: (N, max_i=1,N { d_i1 }, ..., max_i=1,N {diK}) """ if len(samples) == 0: return torch.Tensor() if len(set(x.dim() for x in samples)) != 1: raise RuntimeError( f"Samples has varying dimensions: {[x.dim() for x in samples]}" ) (device,) = tuple( set(x.device for x in samples) ) # assumes all on same device max_shape = [max(lst) for lst in zip(*[x.shape for x in samples])] result = torch.empty( len(samples), *max_shape, dtype=samples[0].dtype, device=device ) result.fill_(pad_v) for i in range(len(samples)): result_i = result[i] t = samples[i] result_i[tuple(slice(0, k) for k in t.shape)] = t return result class Attention(nn.Module): def __init__(self, embed_dim, num_heads, head_width, gated=False): super().__init__() assert embed_dim == num_heads * head_width self.embed_dim = embed_dim self.num_heads = num_heads self.head_width = head_width self.proj = nn.Linear(embed_dim, embed_dim * 3, bias=False) self.o_proj = nn.Linear(embed_dim, embed_dim, bias=True) self.gated = gated if gated: self.g_proj = nn.Linear(embed_dim, embed_dim) torch.nn.init.zeros_(self.g_proj.weight) torch.nn.init.ones_(self.g_proj.bias) self.rescale_factor = self.head_width**-0.5 torch.nn.init.zeros_(self.o_proj.bias) def forward(self, x, mask=None, bias=None, indices=None): """Basic self attention with optional mask and external pairwise bias. To handle sequences of different lengths, use mask. Inputs: x: batch of input sequneces (.. x L x C) mask: batch of boolean masks where 1=valid, 0=padding position (.. x L_k). optional. bias: batch of scalar pairwise attention biases (.. x Lq x Lk x num_heads). optional. Outputs: sequence projection (B x L x embed_dim), attention maps (B x L x L x num_heads) """ t = rearrange( self.proj(x), "... l (h c) -> ... h l c", h=self.num_heads ) q, k, v = t.chunk(3, dim=-1) q = self.rescale_factor * q a = torch.einsum("...qc,...kc->...qk", q, k) # Add external attention bias. if bias is not None: a = a + rearrange(bias, "... lq lk h -> ... h lq lk") # Do not attend to padding tokens. if mask is not None: mask = repeat( mask, "... lk -> ... h lq lk", h=self.num_heads, lq=q.shape[-2] ) a = a.masked_fill(mask == False, -np.inf) a = F.softmax(a, dim=-1) y = torch.einsum("...hqk,...hkc->...qhc", a, v) y = rearrange(y, "... h c -> ... (h c)", h=self.num_heads) if self.gated: y = self.g_proj(x).sigmoid() * y y = self.o_proj(y) return y, rearrange(a, "... lq lk h -> ... h lq lk") class Dropout(nn.Module): """Implementation of dropout with the ability to share the dropout mask along a particular dimension.""" def __init__(self, r: float, batch_dim: T.Union[int, T.List[int]]): super(Dropout, self).__init__() self.r = r if type(batch_dim) == int: batch_dim = [batch_dim] self.batch_dim = batch_dim self.dropout = nn.Dropout(self.r) def forward(self, x: torch.Tensor) -> torch.Tensor: shape = list(x.shape) if self.batch_dim is not None: for bd in self.batch_dim: shape[bd] = 1 return x * self.dropout(x.new_ones(shape)) class SequenceToPair(nn.Module): def __init__(self, sequence_state_dim, inner_dim, pairwise_state_dim): super().__init__() self.layernorm = nn.LayerNorm(sequence_state_dim) self.proj = nn.Linear(sequence_state_dim, inner_dim * 2, bias=True) self.o_proj = nn.Linear(2 * inner_dim, pairwise_state_dim, bias=True) torch.nn.init.zeros_(self.proj.bias) torch.nn.init.zeros_(self.o_proj.bias) def forward(self, sequence_state): """ Inputs: sequence_state: B x L x sequence_state_dim Output: pairwise_state: B x L x L x pairwise_state_dim Intermediate state: B x L x L x 2*inner_dim """ assert len(sequence_state.shape) == 3 s = self.layernorm(sequence_state) s = self.proj(s) q, k = s.chunk(2, dim=-1) prod = q[:, None, :, :] * k[:, :, None, :] diff = q[:, None, :, :] - k[:, :, None, :] x = torch.cat([prod, diff], dim=-1) x = self.o_proj(x) return x class PairToSequence(nn.Module): def __init__(self, pairwise_state_dim, num_heads): super().__init__() self.layernorm = nn.LayerNorm(pairwise_state_dim) self.linear = nn.Linear(pairwise_state_dim, num_heads, bias=False) def forward(self, pairwise_state): """ Inputs: pairwise_state: B x L x L x pairwise_state_dim Output: pairwise_bias: B x L x L x num_heads """ assert len(pairwise_state.shape) == 4 z = self.layernorm(pairwise_state) pairwise_bias = self.linear(z) return pairwise_bias class ResidueMLP(nn.Module): def __init__(self, embed_dim, inner_dim, norm=nn.LayerNorm, dropout=0): super().__init__() self.mlp = nn.Sequential( norm(embed_dim), nn.Linear(embed_dim, inner_dim), nn.ReLU(), nn.Linear(inner_dim, embed_dim), nn.Dropout(dropout), ) def forward(self, x): return x + self.mlp(x) ================================================ FILE: src/byprot/models/structok/modules/folding_utils/pretrained.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Meta Platforms, Inc. and affiliates. # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. from pathlib import Path import torch from esm.esmfold.v1.esmfold import ESMFold def _load_model(model_name): if model_name.endswith(".pt"): # local, treat as filepath model_path = Path(model_name) model_data = torch.load(str(model_path), map_location="cpu") else: # load from hub url = f"https://dl.fbaipublicfiles.com/fair-esm/models/{model_name}.pt" model_data = torch.hub.load_state_dict_from_url( url, progress=False, map_location="cpu" ) cfg = model_data["cfg"]["model"] model_state = model_data["model"] model = ESMFold(esmfold_config=cfg) expected_keys = set(model.state_dict().keys()) found_keys = set(model_state.keys()) missing_essential_keys = [] for missing_key in expected_keys - found_keys: if not missing_key.startswith("esm."): missing_essential_keys.append(missing_key) if missing_essential_keys: raise RuntimeError( f"Keys '{', '.join(missing_essential_keys)}' are missing." ) model.load_state_dict(model_state, strict=False) return model def esmfold_v0(): """ESMFold v0 model with 3B ESM-2, 48 folding blocks. This version was used for the paper (Lin et al, 2022). It was trained on all PDB chains until 2020-05, to ensure temporal holdout with CASP14 and the CAMEO validation and test set reported there. """ return _load_model("esmfold_3B_v0") def esmfold_v1(): """ESMFold v1 model using 3B ESM-2, 48 folding blocks. ESMFold provides fast high accuracy atomic level structure prediction directly from the individual sequence of a protein. ESMFold uses the ESM2 protein language model to extract meaningful representations from the protein sequence. """ return _load_model("esmfold_3B_v1") def esmfold_structure_module_only_8M(): """ESMFold baseline model using 8M ESM-2, 0 folding blocks. ESM-2 here is trained out to 500K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_8M") def esmfold_structure_module_only_8M_270K(): """ESMFold baseline model using 8M ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_8M_270K") def esmfold_structure_module_only_35M(): """ESMFold baseline model using 35M ESM-2, 0 folding blocks. ESM-2 here is trained out to 500K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_35M") def esmfold_structure_module_only_35M_270K(): """ESMFold baseline model using 35M ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_35M_270K") def esmfold_structure_module_only_150M(): """ESMFold baseline model using 150M ESM-2, 0 folding blocks. ESM-2 here is trained out to 500K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_150M") def esmfold_structure_module_only_150M_270K(): """ESMFold baseline model using 150M ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_150M_270K") def esmfold_structure_module_only_650M(): """ESMFold baseline model using 650M ESM-2, 0 folding blocks. ESM-2 here is trained out to 500K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_650M") def esmfold_structure_module_only_650M_270K(): """ESMFold baseline model using 650M ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_650M_270K") def esmfold_structure_module_only_3B(): """ESMFold baseline model using 3B ESM-2, 0 folding blocks. ESM-2 here is trained out to 500K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_3B") def esmfold_structure_module_only_3B_270K(): """ESMFold baseline model using 3B ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_3B_270K") def esmfold_structure_module_only_15B(): """ESMFold baseline model using 15B ESM-2, 0 folding blocks. ESM-2 here is trained out to 270K updates. The 15B parameter ESM-2 was not trained out to 500K updates This is a model designed to test the capabilities of the language model when ablated for number of parameters in the language model. See table S1 in (Lin et al, 2022). """ return _load_model("esmfold_structure_module_only_15B") ================================================ FILE: src/byprot/models/structok/modules/folding_utils/structure_module.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under Apache-2.0, with the full license text # available at https://github.com/aqlaboratory/openfold/blob/main/LICENSE # # This modified file is released under the same license. # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import importlib import math from functools import reduce from operator import mul from typing import Optional, Sequence, Tuple import torch import torch.nn as nn from openfold.model.primitives import ( LayerNorm, Linear, ipa_point_weights_init_, ) from openfold.np.residue_constants import ( restype_atom14_mask, restype_atom14_rigid_group_positions, restype_atom14_to_rigid_group, restype_rigid_group_default_frame, ) from openfold.utils.feats import ( frames_and_literature_positions_to_atom14_pos, torsion_angles_to_frames, ) from openfold.utils.rigid_utils import Rigid, Rotation from openfold.utils.tensor_utils import ( dict_multimap, flatten_final_dims, permute_final_dims, ) from ..nn import TransformerEncoder attn_core_inplace_cuda = importlib.import_module("attn_core_inplace_cuda") class AngleResnetBlock(nn.Module): def __init__(self, c_hidden): """ Args: c_hidden: Hidden channel dimension """ super(AngleResnetBlock, self).__init__() self.c_hidden = c_hidden self.linear_1 = Linear(self.c_hidden, self.c_hidden, init="relu") self.linear_2 = Linear(self.c_hidden, self.c_hidden, init="final") self.relu = nn.ReLU() def forward(self, a: torch.Tensor) -> torch.Tensor: s_initial = a a = self.relu(a) a = self.linear_1(a) a = self.relu(a) a = self.linear_2(a) return a + s_initial class AngleResnet(nn.Module): """Implements Algorithm 20, lines 11-14.""" def __init__(self, c_in, c_hidden, no_blocks, no_angles, epsilon): """ Args: c_in: Input channel dimension c_hidden: Hidden channel dimension no_blocks: Number of resnet blocks no_angles: Number of torsion angles to generate epsilon: Small constant for normalization """ super(AngleResnet, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_blocks = no_blocks self.no_angles = no_angles self.eps = epsilon self.linear_in = Linear(self.c_in, self.c_hidden) self.linear_initial = Linear(self.c_in, self.c_hidden) self.layers = nn.ModuleList() for _ in range(self.no_blocks): layer = AngleResnetBlock(c_hidden=self.c_hidden) self.layers.append(layer) self.linear_out = Linear(self.c_hidden, self.no_angles * 2) self.relu = nn.ReLU() def forward( self, s: torch.Tensor, s_initial: torch.Tensor ) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: s: [*, C_hidden] single embedding s_initial: [*, C_hidden] single embedding as of the start of the StructureModule Returns: [*, no_angles, 2] predicted angles """ # NOTE: The ReLU's applied to the inputs are absent from the supplement # pseudocode but present in the source. For maximal compatibility with # the pretrained weights, I'm going with the source. # [*, C_hidden] s_initial = self.relu(s_initial) s_initial = self.linear_initial(s_initial) s = self.relu(s) s = self.linear_in(s) s = s + s_initial for l in self.layers: s = l(s) s = self.relu(s) # [*, no_angles * 2] s = self.linear_out(s) # [*, no_angles, 2] s = s.view(s.shape[:-1] + (-1, 2)) unnormalized_s = s norm_denom = torch.sqrt( torch.clamp( torch.sum(s**2, dim=-1, keepdim=True), min=self.eps, ) ) s = s / norm_denom return unnormalized_s, s class InvariantPointAttention(nn.Module): """Implements Algorithm 22.""" def __init__( self, c_s: int, c_z: int, c_hidden: int, no_heads: int, no_qk_points: int, no_v_points: int, inf: float = 1e5, eps: float = 1e-8, ): """ Args: c_s: Single representation channel dimension c_z: Pair representation channel dimension c_hidden: Hidden channel dimension no_heads: Number of attention heads no_qk_points: Number of query/key points to generate no_v_points: Number of value points to generate """ super(InvariantPointAttention, self).__init__() self.c_s = c_s self.c_z = c_z self.c_hidden = c_hidden self.no_heads = no_heads self.no_qk_points = no_qk_points self.no_v_points = no_v_points self.inf = inf self.eps = eps # These linear layers differ from their specifications in the # supplement. There, they lack bias and use Glorot initialization. # Here as in the official source, they have bias and use the default # Lecun initialization. hc = self.c_hidden * self.no_heads self.linear_q = Linear(self.c_s, hc) self.linear_kv = Linear(self.c_s, 2 * hc) hpq = self.no_heads * self.no_qk_points * 3 self.linear_q_points = Linear(self.c_s, hpq) hpkv = self.no_heads * (self.no_qk_points + self.no_v_points) * 3 self.linear_kv_points = Linear(self.c_s, hpkv) hpv = self.no_heads * self.no_v_points * 3 self.linear_b = Linear(self.c_z, self.no_heads) self.head_weights = nn.Parameter(torch.zeros((no_heads))) ipa_point_weights_init_(self.head_weights) concat_out_dim = self.no_heads * ( self.c_z + self.c_hidden + self.no_v_points * 4 ) self.linear_out = Linear(concat_out_dim, self.c_s, init="final") self.softmax = nn.Softmax(dim=-1) self.softplus = nn.Softplus() def forward( self, s: torch.Tensor, z: Optional[torch.Tensor], r: Rigid, mask: torch.Tensor, inplace_safe: bool = False, _offload_inference: bool = False, _z_reference_list: Optional[Sequence[torch.Tensor]] = None, ) -> torch.Tensor: """ Args: s: [*, N_res, C_s] single representation z: [*, N_res, N_res, C_z] pair representation r: [*, N_res] transformation object mask: [*, N_res] mask Returns: [*, N_res, C_s] single representation update """ if _offload_inference and inplace_safe: z = _z_reference_list else: z = [z] ####################################### # Generate scalar and point activations ####################################### # [*, N_res, H * C_hidden] q = self.linear_q(s) kv = self.linear_kv(s) # [*, N_res, H, C_hidden] q = q.view(q.shape[:-1] + (self.no_heads, -1)) # [*, N_res, H, 2 * C_hidden] kv = kv.view(kv.shape[:-1] + (self.no_heads, -1)) # [*, N_res, H, C_hidden] k, v = torch.split(kv, self.c_hidden, dim=-1) # [*, N_res, H * P_q * 3] q_pts = self.linear_q_points(s) # This is kind of clunky, but it's how the original does it # [*, N_res, H * P_q, 3] q_pts = torch.split(q_pts, q_pts.shape[-1] // 3, dim=-1) q_pts = torch.stack(q_pts, dim=-1) q_pts = r[..., None].apply(q_pts) # [*, N_res, H, P_q, 3] q_pts = q_pts.view( q_pts.shape[:-2] + (self.no_heads, self.no_qk_points, 3) ) # [*, N_res, H * (P_q + P_v) * 3] kv_pts = self.linear_kv_points(s) # [*, N_res, H * (P_q + P_v), 3] kv_pts = torch.split(kv_pts, kv_pts.shape[-1] // 3, dim=-1) kv_pts = torch.stack(kv_pts, dim=-1) kv_pts = r[..., None].apply(kv_pts) # [*, N_res, H, (P_q + P_v), 3] kv_pts = kv_pts.view(kv_pts.shape[:-2] + (self.no_heads, -1, 3)) # [*, N_res, H, P_q/P_v, 3] k_pts, v_pts = torch.split( kv_pts, [self.no_qk_points, self.no_v_points], dim=-2 ) ########################## # Compute attention scores ########################## # [*, N_res, N_res, H] b = self.linear_b(z[0]) if _offload_inference: z[0] = z[0].cpu() # [*, H, N_res, N_res] a = torch.matmul( permute_final_dims(q, (1, 0, 2)), # [*, H, N_res, C_hidden] permute_final_dims(k, (1, 2, 0)), # [*, H, C_hidden, N_res] ) a *= math.sqrt(1.0 / (3 * self.c_hidden)) a += math.sqrt(1.0 / 3) * permute_final_dims(b, (2, 0, 1)) # [*, N_res, N_res, H, P_q, 3] pt_att = q_pts.unsqueeze(-4) - k_pts.unsqueeze(-5) if inplace_safe: pt_att *= pt_att else: pt_att = pt_att**2 # [*, N_res, N_res, H, P_q] pt_att = sum(torch.unbind(pt_att, dim=-1)) head_weights = self.softplus(self.head_weights).view( *((1,) * len(pt_att.shape[:-2]) + (-1, 1)) ) head_weights = head_weights * math.sqrt( 1.0 / (3 * (self.no_qk_points * 9.0 / 2)) ) if inplace_safe: pt_att *= head_weights else: pt_att = pt_att * head_weights # [*, N_res, N_res, H] pt_att = torch.sum(pt_att, dim=-1) * (-0.5) # [*, N_res, N_res] square_mask = mask.unsqueeze(-1) * mask.unsqueeze(-2) square_mask = self.inf * (square_mask - 1) # [*, H, N_res, N_res] pt_att = permute_final_dims(pt_att, (2, 0, 1)) if inplace_safe: a += pt_att del pt_att a += square_mask.unsqueeze(-3) # in-place softmax attn_core_inplace_cuda.forward_( a, reduce(mul, a.shape[:-1]), a.shape[-1], ) else: a = a + pt_att a = a + square_mask.unsqueeze(-3) a = self.softmax(a) ################ # Compute output ################ # [*, N_res, H, C_hidden] o = torch.matmul(a, v.transpose(-2, -3).to(dtype=a.dtype)).transpose( -2, -3 ) # [*, N_res, H * C_hidden] o = flatten_final_dims(o, 2) # [*, H, 3, N_res, P_v] if inplace_safe: v_pts = permute_final_dims(v_pts, (1, 3, 0, 2)) o_pt = [ torch.matmul(a, v.to(a.dtype)) for v in torch.unbind(v_pts, dim=-3) ] o_pt = torch.stack(o_pt, dim=-3) else: o_pt = torch.sum( ( a[..., None, :, :, None] * permute_final_dims(v_pts, (1, 3, 0, 2))[..., None, :, :] ), dim=-2, ) # [*, N_res, H, P_v, 3] o_pt = permute_final_dims(o_pt, (2, 0, 3, 1)) o_pt = r[..., None, None].invert_apply(o_pt) # [*, N_res, H * P_v] o_pt_norm = flatten_final_dims( torch.sqrt(torch.sum(o_pt**2, dim=-1) + self.eps), 2 ) # [*, N_res, H * P_v, 3] o_pt = o_pt.reshape(*o_pt.shape[:-3], -1, 3) if _offload_inference: z[0] = z[0].to(o_pt.device) # [*, N_res, H, C_z] o_pair = torch.matmul(a.transpose(-2, -3), z[0].to(dtype=a.dtype)) # [*, N_res, H * C_z] o_pair = flatten_final_dims(o_pair, 2) # [*, N_res, C_s] s = self.linear_out( torch.cat( (o, *torch.unbind(o_pt, dim=-1), o_pt_norm, o_pair), dim=-1 ).to(dtype=z[0].dtype) ) return s class BackboneUpdate(nn.Module): """Implements part of Algorithm 23.""" def __init__(self, c_s): """ Args: c_s: Single representation channel dimension """ super(BackboneUpdate, self).__init__() self.c_s = c_s self.linear = Linear(self.c_s, 6, init="final") def forward(self, s: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: [*, N_res, C_s] single representation Returns: [*, N_res, 6] update vector """ # [*, 6] update = self.linear(s) return update class StructureModuleTransitionLayer(nn.Module): def __init__(self, c): super(StructureModuleTransitionLayer, self).__init__() self.c = c self.linear_1 = Linear(self.c, self.c, init="relu") self.linear_2 = Linear(self.c, self.c, init="relu") self.linear_3 = Linear(self.c, self.c, init="final") self.relu = nn.ReLU() def forward(self, s): s_initial = s s = self.linear_1(s) s = self.relu(s) s = self.linear_2(s) s = self.relu(s) s = self.linear_3(s) s = s + s_initial return s class StructureModuleTransition(nn.Module): def __init__(self, c, num_layers, dropout_rate): super(StructureModuleTransition, self).__init__() self.c = c self.num_layers = num_layers self.dropout_rate = dropout_rate self.layers = nn.ModuleList() for _ in range(self.num_layers): l = StructureModuleTransitionLayer(self.c) self.layers.append(l) self.dropout = nn.Dropout(self.dropout_rate) self.layer_norm = LayerNorm(self.c) def forward(self, s): for l in self.layers: s = l(s) s = self.dropout(s) s = self.layer_norm(s) return s class StructureModule(nn.Module): def __init__( self, c_s, c_z, c_ipa, c_resnet, no_heads_ipa, no_qk_points, no_v_points, dropout_rate, no_blocks, no_transition_layers, no_resnet_blocks, no_angles, trans_scale_factor, epsilon, inf, separate_block=False, **kwargs, ): """ Args: c_s: Single representation channel dimension c_z: Pair representation channel dimension c_ipa: IPA hidden channel dimension c_resnet: Angle resnet (Alg. 23 lines 11-14) hidden channel dimension no_heads_ipa: Number of IPA heads no_qk_points: Number of query/key points to generate during IPA no_v_points: Number of value points to generate during IPA dropout_rate: Dropout rate used throughout the layer no_blocks: Number of structure module blocks no_transition_layers: Number of layers in the single representation transition (Alg. 23 lines 8-9) no_resnet_blocks: Number of blocks in the angle resnet no_angles: Number of angles to generate in the angle resnet trans_scale_factor: Scale of single representation transition hidden dimension epsilon: Small number used in angle resnet normalization inf: Large number used for attention masking """ super(StructureModule, self).__init__() self.c_s = c_s self.c_z = c_z self.c_ipa = c_ipa self.c_resnet = c_resnet self.no_heads_ipa = no_heads_ipa self.no_qk_points = no_qk_points self.no_v_points = no_v_points self.dropout_rate = dropout_rate self.no_blocks = no_blocks self.no_transition_layers = no_transition_layers self.no_resnet_blocks = no_resnet_blocks self.no_angles = no_angles self.trans_scale_factor = trans_scale_factor self.epsilon = epsilon self.inf = inf # Buffers to be lazily initialized later # self.default_frames # self.group_idx # self.atom_mask # self.lit_positions self.layer_norm_s = LayerNorm(self.c_s) self.layer_norm_z = LayerNorm(self.c_z) self.linear_in = Linear(self.c_s, self.c_s) # block self.shared_block = True # not separate_block if self.shared_block: no_blocks = 1 else: no_blocks = self.no_blocks self.ipa = nn.ModuleList( [ InvariantPointAttention( self.c_s, self.c_z, self.c_ipa, self.no_heads_ipa, self.no_qk_points, self.no_v_points, inf=self.inf, eps=self.epsilon, ) for _ in range(no_blocks) ] ) self.ipa_dropout = nn.ModuleList( [nn.Dropout(self.dropout_rate) for _ in range(no_blocks)] ) self.layer_norm_ipa = nn.ModuleList( [LayerNorm(self.c_s) for _ in range(no_blocks)] ) # framediff style tranformer self.seq_tfmr = nn.ModuleList( [TransformerEncoder(self.c_s, 4, 4) for _ in range(no_blocks)] ) self.post_tfmr = nn.ModuleList( [ Linear(self.c_s, self.c_s, init="final") for _ in range(no_blocks) ] ) self.transition = nn.ModuleList( [ StructureModuleTransition( self.c_s, self.no_transition_layers, self.dropout_rate, ) for _ in range(no_blocks) ] ) self.bb_update = nn.ModuleList( [BackboneUpdate(self.c_s) for _ in range(no_blocks)] ) self.angle_resnet = nn.ModuleList( [ AngleResnet( self.c_s, self.c_resnet, self.no_resnet_blocks, self.no_angles, self.epsilon, ) for _ in range(no_blocks) ] ) def forward( self, evoformer_output_dict, aatype, mask=None, inplace_safe=False, _offload_inference=False, ): """ Args: evoformer_output_dict: Dictionary containing: "single": [*, N_res, C_s] single representation "pair": [*, N_res, N_res, C_z] pair representation aatype: [*, N_res] amino acid indices mask: Optional [*, N_res] sequence mask Returns: A dictionary of outputs """ s = evoformer_output_dict["single"] if mask is None: # [*, N] mask = s.new_ones(s.shape[:-1]) # [*, N, C_s] s = self.layer_norm_s(s) # [*, N, N, C_z] z = self.layer_norm_z(evoformer_output_dict["pair"]) z_reference_list = None if _offload_inference: evoformer_output_dict["pair"] = evoformer_output_dict["pair"].cpu() z_reference_list = [z] z = None # [*, N, C_s] s_initial = s s = self.linear_in(s) # [*, N] rigids = Rigid.identity( s.shape[:-1], s.dtype, s.device, self.training, fmt="quat", ) outputs = [] for i in range(self.no_blocks): if self.shared_block: i = 0 # [*, N, C_s] s = s + self.ipa[i]( s, z, rigids, mask, inplace_safe=inplace_safe, _offload_inference=_offload_inference, _z_reference_list=z_reference_list, ) s = self.ipa_dropout[i](s) s = self.layer_norm_ipa[i](s) # framediff style transformer s = s + self.post_tfmr[i]( self.seq_tfmr[i](s, padding_mask=1 - mask)["out"] ) s = self.transition[i](s) # [*, N] rigids = rigids.compose_q_update_vec(self.bb_update[i](s)) # To hew as closely as possible to AlphaFold, we convert our # quaternion-based transformations to rotation-matrix ones # here backb_to_global = Rigid( Rotation( rot_mats=rigids.get_rots().get_rot_mats(), quats=None ), rigids.get_trans(), ) backb_to_global = backb_to_global.scale_translation( self.trans_scale_factor ) # [*, N, 7, 2] unnormalized_angles, angles = self.angle_resnet[i](s, s_initial) all_frames_to_global = self.torsion_angles_to_frames( backb_to_global, angles, aatype, ) pred_xyz = self.frames_and_literature_positions_to_atom14_pos( all_frames_to_global, aatype, ) scaled_rigids = rigids.scale_translation(self.trans_scale_factor) preds = { "frames": scaled_rigids.to_tensor_7(), "sidechain_frames": all_frames_to_global.to_tensor_4x4(), "unnormalized_angles": unnormalized_angles, "angles": angles, "positions": pred_xyz, "states": s, } outputs.append(preds) rigids = rigids.stop_rot_gradient() del z, z_reference_list if _offload_inference: evoformer_output_dict["pair"] = evoformer_output_dict["pair"].to( s.device ) outputs = dict_multimap(torch.stack, outputs) outputs["single"] = s return outputs def _init_residue_constants(self, float_dtype, device): if not hasattr(self, "default_frames"): self.register_buffer( "default_frames", torch.tensor( restype_rigid_group_default_frame, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "group_idx"): self.register_buffer( "group_idx", torch.tensor( restype_atom14_to_rigid_group, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "atom_mask"): self.register_buffer( "atom_mask", torch.tensor( restype_atom14_mask, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "lit_positions"): self.register_buffer( "lit_positions", torch.tensor( restype_atom14_rigid_group_positions, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) def torsion_angles_to_frames(self, r, alpha, f): # Lazily initialize the residue constants on the correct device self._init_residue_constants(alpha.dtype, alpha.device) # Separated purely to make testing less annoying return torsion_angles_to_frames(r, alpha, f, self.default_frames) def frames_and_literature_positions_to_atom14_pos( self, r, f ): # [*, N, 8] # [*, N] # Lazily initialize the residue constants on the correct device self._init_residue_constants(r.get_rots().dtype, r.get_rots().device) return frames_and_literature_positions_to_atom14_pos( r, f, self.default_frames, self.group_idx, self.atom_mask, self.lit_positions, ) ================================================ FILE: src/byprot/models/structok/modules/folding_utils/tri_self_attn_block.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import torch from openfold.model.triangular_attention import ( TriangleAttentionEndingNode, TriangleAttentionStartingNode, ) from openfold.model.triangular_multiplicative_update import ( TriangleMultiplicationIncoming, TriangleMultiplicationOutgoing, ) from torch import nn from .misc import ( Attention, Dropout, PairToSequence, ResidueMLP, SequenceToPair, ) class TriangularSelfAttentionBlock(nn.Module): def __init__( self, sequence_state_dim, pairwise_state_dim, sequence_head_width, pairwise_head_width, dropout=0, **__kwargs, ): super().__init__() assert sequence_state_dim % sequence_head_width == 0 assert pairwise_state_dim % pairwise_head_width == 0 sequence_num_heads = sequence_state_dim // sequence_head_width pairwise_num_heads = pairwise_state_dim // pairwise_head_width assert sequence_state_dim == sequence_num_heads * sequence_head_width assert pairwise_state_dim == pairwise_num_heads * pairwise_head_width assert pairwise_state_dim % 2 == 0 self.sequence_state_dim = sequence_state_dim self.pairwise_state_dim = pairwise_state_dim self.layernorm_1 = nn.LayerNorm(sequence_state_dim) self.sequence_to_pair = SequenceToPair( sequence_state_dim, pairwise_state_dim // 2, pairwise_state_dim ) self.pair_to_sequence = PairToSequence( pairwise_state_dim, sequence_num_heads ) self.seq_attention = Attention( sequence_state_dim, sequence_num_heads, sequence_head_width, gated=True, ) self.tri_mul_out = TriangleMultiplicationOutgoing( pairwise_state_dim, pairwise_state_dim, ) self.tri_mul_in = TriangleMultiplicationIncoming( pairwise_state_dim, pairwise_state_dim, ) self.tri_att_start = TriangleAttentionStartingNode( pairwise_state_dim, pairwise_head_width, pairwise_num_heads, inf=1e9, ) # type: ignore self.tri_att_end = TriangleAttentionEndingNode( pairwise_state_dim, pairwise_head_width, pairwise_num_heads, inf=1e9, ) # type: ignore self.mlp_seq = ResidueMLP( sequence_state_dim, 4 * sequence_state_dim, dropout=dropout ) self.mlp_pair = ResidueMLP( pairwise_state_dim, 4 * pairwise_state_dim, dropout=dropout ) assert dropout < 0.4 self.drop = nn.Dropout(dropout) self.row_drop = Dropout(dropout * 2, 2) self.col_drop = Dropout(dropout * 2, 1) torch.nn.init.zeros_(self.tri_mul_in.linear_z.weight) torch.nn.init.zeros_(self.tri_mul_in.linear_z.bias) torch.nn.init.zeros_(self.tri_mul_out.linear_z.weight) torch.nn.init.zeros_(self.tri_mul_out.linear_z.bias) torch.nn.init.zeros_(self.tri_att_start.mha.linear_o.weight) torch.nn.init.zeros_(self.tri_att_start.mha.linear_o.bias) torch.nn.init.zeros_(self.tri_att_end.mha.linear_o.weight) torch.nn.init.zeros_(self.tri_att_end.mha.linear_o.bias) torch.nn.init.zeros_(self.sequence_to_pair.o_proj.weight) torch.nn.init.zeros_(self.sequence_to_pair.o_proj.bias) torch.nn.init.zeros_(self.pair_to_sequence.linear.weight) torch.nn.init.zeros_(self.seq_attention.o_proj.weight) torch.nn.init.zeros_(self.seq_attention.o_proj.bias) torch.nn.init.zeros_(self.mlp_seq.mlp[-2].weight) torch.nn.init.zeros_(self.mlp_seq.mlp[-2].bias) torch.nn.init.zeros_(self.mlp_pair.mlp[-2].weight) torch.nn.init.zeros_(self.mlp_pair.mlp[-2].bias) def forward( self, sequence_state, pairwise_state, mask=None, chunk_size=None, **__kwargs, ): """ Inputs: sequence_state: B x L x sequence_state_dim pairwise_state: B x L x L x pairwise_state_dim mask: B x L boolean tensor of valid positions Output: sequence_state: B x L x sequence_state_dim pairwise_state: B x L x L x pairwise_state_dim """ assert len(sequence_state.shape) == 3 assert len(pairwise_state.shape) == 4 if mask is not None: assert len(mask.shape) == 2 batch_dim, seq_dim, sequence_state_dim = sequence_state.shape pairwise_state_dim = pairwise_state.shape[3] assert sequence_state_dim == self.sequence_state_dim assert pairwise_state_dim == self.pairwise_state_dim assert batch_dim == pairwise_state.shape[0] assert seq_dim == pairwise_state.shape[1] assert seq_dim == pairwise_state.shape[2] # Update sequence state bias = self.pair_to_sequence(pairwise_state) # Self attention with bias + mlp. y = self.layernorm_1(sequence_state) y, _ = self.seq_attention(y, mask=mask, bias=bias) sequence_state = sequence_state + self.drop(y) sequence_state = self.mlp_seq(sequence_state) # Update pairwise state pairwise_state = pairwise_state + self.sequence_to_pair(sequence_state) # Axial attention with triangular bias. tri_mask = ( mask.unsqueeze(2) * mask.unsqueeze(1) if mask is not None else None ) pairwise_state = pairwise_state + self.row_drop( self.tri_mul_out(pairwise_state, mask=tri_mask) ) pairwise_state = pairwise_state + self.col_drop( self.tri_mul_in(pairwise_state, mask=tri_mask) ) pairwise_state = pairwise_state + self.row_drop( self.tri_att_start( pairwise_state, mask=tri_mask, chunk_size=chunk_size ) ) pairwise_state = pairwise_state + self.col_drop( self.tri_att_end( pairwise_state, mask=tri_mask, chunk_size=chunk_size ) ) # MLP over pairs. pairwise_state = self.mlp_pair(pairwise_state) return sequence_state, pairwise_state ================================================ FILE: src/byprot/models/structok/modules/folding_utils/trunk.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Meta Platforms, Inc. and affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import random import typing as T from contextlib import ExitStack from dataclasses import dataclass import torch import torch.nn as nn import torch.utils import torch.utils.checkpoint from omegaconf import DictConfig, OmegaConf from .tri_self_attn_block import TriangularSelfAttentionBlock @dataclass class StructureModuleConfig: c_s: int = 384 c_z: int = 128 c_ipa: int = 16 c_resnet: int = 128 no_heads_ipa: int = 12 no_qk_points: int = 4 no_v_points: int = 8 dropout_rate: float = 0.1 no_blocks: int = 8 no_transition_layers: int = 1 no_resnet_blocks: int = 2 no_angles: int = 7 trans_scale_factor: int = 10 epsilon: float = 1e-8 inf: float = 1e5 separate_block: bool = False @dataclass class FoldingTrunkConfig: _name: str = "FoldingTrunkConfig" num_blocks: int = 48 sequence_state_dim: int = 1024 pairwise_state_dim: int = 128 sequence_head_width: int = 32 pairwise_head_width: int = 32 position_bins: int = 32 dropout: float = 0 layer_drop: float = 0 cpu_grad_checkpoint: bool = False gradient_checkpointing: bool = False max_recycles: int = 4 chunk_size: T.Optional[int] = None structure_module: StructureModuleConfig = StructureModuleConfig() def get_axial_mask(mask): """Helper to convert B x L mask of valid positions to axial mask used in row column attentions. Input: mask: B x L tensor of booleans Output: mask: B x L x L tensor of booleans """ if mask is None: return None assert len(mask.shape) == 2 batch_dim, seq_dim = mask.shape m = mask.unsqueeze(1).expand(batch_dim, seq_dim, seq_dim) m = m.reshape(batch_dim * seq_dim, seq_dim) return m class RelativePosition(nn.Module): def __init__(self, bins, pairwise_state_dim): super().__init__() self.bins = bins # Note an additional offset is used so that the 0th position # is reserved for masked pairs. self.embedding = torch.nn.Embedding(2 * bins + 2, pairwise_state_dim) def forward(self, residue_index, mask=None): """ Input: residue_index: B x L tensor of indices (dytpe=torch.long) mask: B x L tensor of booleans Output: pairwise_state: B x L x L x pairwise_state_dim tensor of embeddings """ assert residue_index.dtype == torch.long if mask is not None: assert residue_index.shape == mask.shape diff = residue_index[:, None, :] - residue_index[:, :, None] diff = diff.clamp(-self.bins, self.bins) diff = diff + self.bins + 1 # Add 1 to adjust for padding index. if mask is not None: mask = mask[:, None, :] * mask[:, :, None] diff[mask == False] = 0 output = self.embedding(diff) return output class FoldingTrunk(nn.Module): def __init__(self, **kwargs): super().__init__() self.cfg = FoldingTrunkConfig(**kwargs) self.cfg = OmegaConf.create(self.cfg) OmegaConf.set_struct(self.cfg, False) assert self.cfg.max_recycles > 0 c_s = self.cfg.sequence_state_dim c_z = self.cfg.pairwise_state_dim assert c_s % self.cfg.sequence_head_width == 0 assert c_z % self.cfg.pairwise_head_width == 0 block = TriangularSelfAttentionBlock self.pairwise_positional_embedding = RelativePosition( self.cfg.position_bins, c_z ) from fairscale.nn.checkpoint import checkpoint_wrapper def _checkpoint_wrapper(m, o=False, enable=True): if enable: return checkpoint_wrapper(m, o) return m self.blocks = nn.ModuleList( [ _checkpoint_wrapper( block( sequence_state_dim=c_s, pairwise_state_dim=c_z, sequence_head_width=self.cfg.sequence_head_width, pairwise_head_width=self.cfg.pairwise_head_width, dropout=self.cfg.dropout, ), enable=False, # self.cfg.gradient_checkpointing, ) for i in range(self.cfg.num_blocks) ] ) self.recycle_bins = 15 self.recycle_s_norm = nn.LayerNorm(c_s) self.recycle_z_norm = nn.LayerNorm(c_z) self.recycle_disto = nn.Embedding(self.recycle_bins, c_z) self.recycle_disto.weight[0].detach().zero_() if self.cfg.structure_module.get("separate_block"): from .structure_module import StructureModule self.structure_module = StructureModule(**self.cfg.structure_module) # type: ignore else: from openfold.model.structure_module import StructureModule self.structure_module = StructureModule(**self.cfg.structure_module) # type: ignore self.trunk2sm_s = nn.Linear(c_s, self.structure_module.c_s) self.trunk2sm_z = nn.Linear(c_z, self.structure_module.c_z) self.chunk_size = self.cfg.chunk_size def set_chunk_size(self, chunk_size): # This parameter means the axial attention will be computed # in a chunked manner. This should make the memory used more or less O(L) instead of O(L^2). # It's equivalent to running a for loop over chunks of the dimension we're iterative over, # where the chunk_size is the size of the chunks, so 128 would mean to parse 128-lengthed chunks. self.chunk_size = chunk_size def forward( self, seq_feats, pair_feats, true_aa, residx, mask, no_recycles: T.Optional[int] = None, return_features_only=False, ): """ Inputs: seq_feats: B x L x C tensor of sequence features pair_feats: B x L x L x C tensor of pair features residx: B x L long tensor giving the position in the sequence mask: B x L boolean tensor indicating valid residues Output: predicted_structure: B x L x (num_atoms_per_residue * 3) tensor wrapped in a Coordinates object """ device = seq_feats.device s_s_0 = seq_feats s_z_0 = pair_feats if no_recycles is None: no_recycles = self.cfg.max_recycles else: assert no_recycles >= 0, "Number of recycles must not be negative." no_recycles += 1 # First 'recycle' is just the standard forward pass through the model. if self.training: no_recycles = random.randint(1, no_recycles) def trunk_iter(s, z, residx, mask): z = z + self.pairwise_positional_embedding(residx, mask=mask) for block in self.blocks: if self.cfg.gradient_checkpointing: s, z = torch.utils.checkpoint.checkpoint( block, s, z, mask, self.chunk_size, # residue_index=residx, # use_reentrant=False ) else: s, z = block( s, z, mask=mask, residue_index=residx, chunk_size=self.chunk_size, ) return s, z s_s = s_s_0 s_z = s_z_0 recycle_s = torch.zeros_like(s_s) recycle_z = torch.zeros_like(s_z) recycle_bins = torch.zeros( *s_z.shape[:-1], device=device, dtype=torch.int64 ) structure = {} assert no_recycles > 0 for recycle_idx in range(no_recycles): with ExitStack() if recycle_idx == no_recycles - 1 else torch.no_grad(): # === Recycling === recycle_s = self.recycle_s_norm(recycle_s.detach()) recycle_z = self.recycle_z_norm(recycle_z.detach()) recycle_z += self.recycle_disto(recycle_bins.detach()) s_s, s_z = trunk_iter( s_s_0 + recycle_s, s_z_0 + recycle_z, residx, mask ) if return_features_only: break # === Structure module === structure = self.structure_module( { "single": self.trunk2sm_s(s_s), "pair": self.trunk2sm_z(s_z), }, true_aa, mask.float(), ) recycle_s = s_s recycle_z = s_z # Distogram needs the N, CA, C coordinates, and bin constants same as alphafold. recycle_bins = FoldingTrunk.distogram( structure["positions"][-1][:, :, :3], 3.375, 21.375, self.recycle_bins, ) assert isinstance(structure, dict) # type: ignore structure["s_s"] = s_s structure["s_z"] = s_z return structure @staticmethod def distogram(coords, min_bin, max_bin, num_bins): # Coords are [... L x 3 x 3], where it's [N, CA, C] x 3 coordinates. boundaries = torch.linspace( min_bin, max_bin, num_bins - 1, device=coords.device, ) boundaries = boundaries**2 N, CA, C = [x.squeeze(-2) for x in coords.chunk(3, dim=-2)] # Infer CB coordinates. b = CA - N c = C - CA a = b.cross(c, dim=-1) CB = -0.58273431 * a + 0.56802827 * b - 0.54067466 * c + CA dists = ( (CB[..., None, :, :] - CB[..., :, None, :]) .pow(2) .sum(dim=-1, keepdims=True) ) bins = torch.sum(dists > boundaries, dim=-1) # [..., L, L] return bins ================================================ FILE: src/byprot/models/structok/modules/gvp_encoder.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import esm import torch from torch import nn def exists(x): return x is not None class GVPTransformerEncoderWrapper(nn.Module): def __init__(self, alphabet=None, freeze=True, return_logits=False): super().__init__() _model, _alphabet = esm.pretrained.esm_if1_gvp4_t16_142M_UR50() self.alphabet = alphabet or _alphabet self.return_logits = return_logits self.encoder = _model.encoder self.freeze = freeze if freeze: for param in self.encoder.parameters(): param.requires_grad_(False) self.embed_dim = self.encoder.embed_tokens.embedding_dim if self.return_logits: self.out_proj = nn.Linear(self.embed_dim, len(self.alphabet)) def forward(self, backb_positions, mask, padding_mask, **kwargs): return_all_hiddens = False coords = backb_positions[:, :, :3, :] # padding_mask = padding_mask.bool() # mask = mask.bool() & (~padding_mask) # coords = torch.masked_fill(coords, mask[..., None, None], torch.nan) # confidence = mask.float() padding_mask = ~mask.bool() confidence = torch.ones(coords.shape[0:2]).to(coords.device) with torch.set_grad_enabled(not self.freeze): encoder_out = self.encoder( coords, padding_mask, confidence, return_all_hiddens=return_all_hiddens ) # encoder_out['encoder_out'][0] = torch.transpose(encoder_out['encoder_out'][0], 0, 1) encoder_out["out"] = encoder_out["encoder_out"][0].transpose(0, 1) if self.return_logits: logits = self.out_proj(encoder_out["feats"]) encoder_out["logits"] = logits return encoder_out class GVPTransformerEncoderWrapper2(nn.Module): def __init__(self, alphabet=None, freeze=True, return_logits=False): super().__init__() _model, _alphabet = esm.pretrained.esm_if1_gvp4_t16_142M_UR50() self.alphabet = alphabet or _alphabet self.return_logits = return_logits self.encoder = _model.encoder self.freeze = freeze if freeze: for param in self.encoder.parameters(): param.requires_grad_(False) self.embed_dim = self.encoder.embed_tokens.embedding_dim if self.return_logits: self.out_proj = nn.Linear(self.embed_dim, len(self.alphabet)) def forward(self, backb_positions, mask, padding_mask, **kwargs): return_all_hiddens = False coords = backb_positions[:, :, :3, :] padding_mask = padding_mask.bool() mask = mask.bool() & (~padding_mask) coords = torch.masked_fill(coords, ~mask[..., None, None], torch.nan) confidence = mask.float() # padding_mask = ~mask.bool() # confidence = torch.ones(coords.shape[0:2]).to(coords.device) with torch.set_grad_enabled(not self.freeze): encoder_out = self.encoder( coords, padding_mask, confidence, return_all_hiddens=return_all_hiddens ) # encoder_out['encoder_out'][0] = torch.transpose(encoder_out['encoder_out'][0], 0, 1) encoder_out["out"] = encoder_out["encoder_out"][0].transpose(0, 1) if self.return_logits: logits = self.out_proj(encoder_out["feats"]) encoder_out["logits"] = logits return encoder_out ================================================ FILE: src/byprot/models/structok/modules/lfq.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # Original file was released under MIT, with the full license text # available at https://github.com/lucidrains/vector-quantize-pytorch/blob/master/LICENSE # # This modified file is released under the same license. """Lookup Free Quantization Proposed in https://arxiv.org/abs/2310.05737. In the simplest setup, each dimension is quantized into {-1, 1}. An entropy penalty is used to encourage utilization. Refer to https://github.com/lucidrains/vector-quantize-pytorch/blob/master/vector_quantize_pytorch/lookup_free_quantization.py https://github.com/theAdamColton/ijepa-enhanced/blob/7edef5f7288ae8f537f0db8a10044a2a487f70c9/ijepa_enhanced/lfq.py """ from collections import namedtuple from math import ceil, log2 import torch import torch.nn.functional as F from einops import pack, rearrange, reduce, unpack from torch import einsum, nn from torch.nn import Module # constants LossBreakdown = namedtuple( "LossBreakdown", ["per_sample_entropy", "codebook_entropy", "commitment", "avg_probs"], ) # helper functions def exists(v): return v is not None def default(*args): for arg in args: if exists(arg): return arg() if callable(arg) else arg return None def pack_one(t, pattern): return pack([t], pattern) def unpack_one(t, ps, pattern): return unpack(t, ps, pattern)[0] # entropy def entropy(prob): return (-prob * torch.log(prob + 1e-5)).sum(dim=-1) # class def mult_along_first_dims(x, y): """ returns x * y elementwise along the leading dimensions of y """ ndim_to_expand = x.ndim - y.ndim for _ in range(ndim_to_expand): y = y.unsqueeze(-1) return x * y def masked_mean(x, m): """takes the mean of the elements of x that are not masked the mean is taken along the shared leading dims of m equivalent to: x[m].mean(tuple(range(m.ndim))) The benefit of using masked_mean rather than using tensor indexing is that masked_mean is much faster for torch-compile on batches. The drawback is larger floating point errors """ x = mult_along_first_dims(x, m) x = x / m.sum() return x.sum(tuple(range(m.ndim))) def entropy_loss( logits, mask=None, temperature=0.01, sample_minimization_weight=1.0, batch_maximization_weight=1.0, eps=1e-5, ): """Entropy loss of unnormalized logits. logits: Affinities are over the last dimension https://github.com/google-research/magvit/blob/05e8cfd6559c47955793d70602d62a2f9b0bdef5/videogvt/train_lib/losses.py#L279 LANGUAGE MODEL BEATS DIFFUSION — TOKENIZER IS KEY TO VISUAL GENERATION (2024) """ probs = F.softmax(logits / temperature, -1) log_probs = F.log_softmax(logits / temperature + eps, -1) if mask is not None: avg_probs = masked_mean(probs, mask) else: avg_probs = reduce(probs, "... D -> D", "mean") avg_entropy = -torch.sum(avg_probs * torch.log(avg_probs + eps)) sample_entropy = -torch.sum(probs * log_probs, -1) if mask is not None: sample_entropy = masked_mean(sample_entropy, mask).mean() else: sample_entropy = torch.mean(sample_entropy) loss = (sample_minimization_weight * sample_entropy) - ( batch_maximization_weight * avg_entropy ) return sample_entropy, avg_entropy, loss class LFQ(Module): def __init__( self, *, dim=None, codebook_size=None, entropy_loss_weight=0.1, commitment_loss_weight=0.25, num_codebooks=1, sample_minimization_weight=1.0, batch_maximization_weight=1.0, token_factorization=False, ): super().__init__() # some assert validations assert exists(dim) or exists( codebook_size ), "either dim or codebook_size must be specified for LFQ" assert ( not exists(codebook_size) or log2(codebook_size).is_integer() ), f"your codebook size must be a power of 2 for lookup free quantization (suggested {2 ** ceil(log2(codebook_size))})" self.codebook_size = default(codebook_size, lambda: 2**dim) self.codebook_dim = int(log2(codebook_size)) codebook_dims = self.codebook_dim * num_codebooks dim = default(dim, codebook_dims) has_projections = dim != codebook_dims self.has_projections = has_projections self.dim = dim self.codebook_dim = self.codebook_dim self.num_codebooks = num_codebooks self.entropy_loss_weight = entropy_loss_weight self.commitment_loss_weight = commitment_loss_weight # for entropy loss self.sample_minimization_weight = sample_minimization_weight self.batch_maximization_weight = batch_maximization_weight # for no auxiliary loss, during inference self.token_factorization = ( token_factorization ## only utilized in second stage ) if not self.token_factorization: # for first stage model self.register_buffer( "mask", 2 ** torch.arange(self.codebook_dim - 1, -1, -1), persistent=False, ) else: k = self.codebook_dim // 2 self.register_buffer( "mask", 2 ** torch.arange(k - 1, -1, -1), persistent=False ) self.register_buffer("zero", torch.tensor(0.0), persistent=False) # codes all_codes = torch.arange(codebook_size) bits = self.indices_to_bits(all_codes) codebook = bits * 2.0 - 1.0 self.register_buffer("codebook", codebook, persistent=False) @property def dtype(self): return self.codebook.dtype def indices_to_bits(self, x): """ x: long tensor of indices for constructing codebook, but actually not utilized in all the experiments. returns big endian bits """ mask = 2 ** torch.arange( self.codebook_dim, device=x.device, dtype=torch.long ) # x is now big endian bits, the last dimension being the bits x = (x.unsqueeze(-1) & mask) != 0 return x def get_codebook_entry(self, x, shape=None): if self.token_factorization: k = self.codebook_dim // 2 mask = 2 ** torch.arange( k - 1, -1, -1, device=x.device, dtype=torch.long ) else: mask = 2 ** torch.arange( self.codebook_dim - 1, -1, -1, device=x.device, dtype=torch.long, ) x = (x.unsqueeze(-1) & mask) != 0 x = x * 2.0 - 1.0 # back to the float ## scale back to the desired shape # b, n, c = bnc # x = rearrange(x, "b (h w) c -> b h w c", h=h, w=w, c=c) # x = rearrange(x, "b h w c -> b c h w") return x # (b, n, c) def bits_to_indices(self, bits): """ bits: bool tensor of big endian bits, where the last dimension is the bit dimension returns indices, which are long integers from 0 to self.codebook_size """ assert bits.shape[-1] == self.codebook_dim indices = 2 ** torch.arange( 0, self.codebook_dim, 1, dtype=torch.long, device=bits.device, ) return (bits * indices).sum(-1) def decode(self, x): """ x: ... NH where NH is number of codebook heads A longtensor of codebook indices, containing values from 0 to self.codebook_size """ x = self.indices_to_bits(x) # to some sort of float x = x.to(self.dtype) # -1 or 1 x = x * 2 - 1 x = rearrange(x, "... NC Z-> ... (NC Z)") return x def forward( self, x, # (b, n, c) return_loss_breakdown=False, mask=None, return_loss=True, ): """einstein notation. b - batch n - sequence (or flattened spatial dimensions) d - feature dimension, which is also log2(codebook size) c - number of codebook dim """ # x = rearrange(x, "b d ... -> b ... d") x, ps = pack_one(x, "b * d") # split out number of codebooks x = rearrange(x, "b n (c d) -> b n c d", c=self.num_codebooks) codebook_value = torch.Tensor([1.0]).to(device=x.device, dtype=x.dtype) quantized = torch.where( x > 0, codebook_value, -codebook_value ) # higher than 0 filled # calculate indices if self.token_factorization: k = self.codebook_dim // 2 indices_pre = reduce( (quantized[..., :k] > 0).int() * self.mask.int(), "b n c d -> b n c", "sum", ) indices_post = reduce( (quantized[..., k:] > 0).int() * self.mask.int(), "b n c d -> b n c", "sum", ) # indices_post = 2**k + indices_post #shifter to the 1024 else: indices = reduce( (quantized > 0).int() * self.mask.int(), "b n c d -> b n c", "sum", ) # entropy aux loss if self.training and return_loss: logits = 2 * einsum("... i d, j d -> ... i j", x, self.codebook) # the same as euclidean distance up to a constant ( per_sample_entropy, codebook_entropy, entropy_aux_loss, ) = entropy_loss( logits=logits, mask=mask, sample_minimization_weight=self.sample_minimization_weight, batch_maximization_weight=self.batch_maximization_weight, ) avg_probs = self.zero else: ## calculate the codebook_entropy needed for one batch evaluation # ------------------------------------------------------------------ # logits = 2 * einsum('... i d, j d -> ... i j', x, self.codebook) # probs = F.softmax(logits / 0.01, -1) # avg_probs = reduce(probs, "b n c d -> b d", "mean") # avg_probs = torch.sum(avg_probs, 0) #batch dimension # ------------------------------------------------------------------- # if not training, just return dummy 0 per_sample_entropy = codebook_entropy = self.zero entropy_aux_loss = self.zero avg_probs = self.zero # commit loss if self.training: commit_loss = F.mse_loss(x, quantized.detach(), reduction="none") if exists(mask): commit_loss = commit_loss[mask] commit_loss = commit_loss.mean() else: commit_loss = self.zero # use straight-through gradients (optionally with custom activation fn) if training quantized = x + (quantized - x).detach() # transfer to quantized # merge back codebook dim quantized = rearrange(quantized, "b n c d -> b n (c d)") # reconstitute image or video dimensions quantized = unpack_one(quantized, ps, "b * d") # quantized = rearrange(quantized, "b ... d -> b d ...") if self.token_factorization: indices_pre = unpack_one(indices_pre, ps, "b * c") indices_post = unpack_one(indices_post, ps, "b * c") indices_pre = indices_pre.flatten() indices_post = indices_post.flatten() indices = (indices_pre, indices_post) else: indices = unpack_one(indices, ps, "b * c") indices = indices.flatten() indices = indices.reshape_as(mask) loss = ( self.commitment_loss_weight * commit_loss + self.entropy_loss_weight * entropy_aux_loss ) ret = (quantized, loss, (None, None, indices)) if not return_loss_breakdown: return ret return ret, LossBreakdown( per_sample_entropy, codebook_entropy, commit_loss, avg_probs ) ================================================ FILE: src/byprot/models/structok/modules/loss.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under Apache-2.0, with the full license text # available at https://github.com/aqlaboratory/openfold/blob/main/LICENSE # # This modified file is released under the same license. # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from typing import Dict, Optional, Tuple import ml_collections import numpy as np import torch import torch.nn as nn import torch.nn.functional as F from openfold.np import residue_constants from openfold.utils.rigid_utils import Rigid, Rotation from openfold.utils.superimposition import superimpose from openfold.utils.tensor_utils import ( masked_mean, permute_final_dims, tensor_tree_map, tree_map, ) from openfold.utils.validation_metrics import gdt_ha, gdt_ts from byprot import utils from byprot.modules.cross_entropy import CrossEntropyLoss from byprot.utils.config import compose_config as CONFIG from byprot.utils.config import merge_config log = utils.get_logger(__name__) def drmsd(structure_1, structure_2, mask=None): def prep_d(structure): d = structure[..., :, None, :] - structure[..., None, :, :] d = d**2 d = torch.sqrt(torch.sum(d, dim=-1)) return d d1 = prep_d(structure_1) d2 = prep_d(structure_2) drmsd = d1 - d2 drmsd = drmsd**2 if mask is not None: drmsd = drmsd * (mask[..., None] * mask[..., None, :]) drmsd = torch.sum(drmsd, dim=(-1, -2)) n = d1.shape[-1] if mask is None else torch.sum(mask, dim=-1) # drmsd = drmsd * (1 / (n * (n - 1))) if n > 1 else (drmsd * 0.) drmsd = torch.where(n > 1, drmsd * (1 / (n * (n - 1))), (drmsd * 0.0)) drmsd = torch.sqrt(drmsd) return drmsd def compute_validation_metrics(batch, outputs, superimposition_metrics=False): metrics = {} gt_coords = batch["all_atom_positions"] pred_coords = outputs["final_atom_positions"] all_atom_mask = batch["all_atom_mask"] # This is super janky for superimposition. Fix later gt_coords_masked = gt_coords * all_atom_mask[..., None] pred_coords_masked = pred_coords * all_atom_mask[..., None] ca_pos = residue_constants.atom_order["CA"] gt_coords_masked_ca = gt_coords_masked[..., ca_pos, :] pred_coords_masked_ca = pred_coords_masked[..., ca_pos, :] all_atom_mask_ca = all_atom_mask[..., ca_pos] lddt_ca_score = lddt_ca( pred_coords, gt_coords, all_atom_mask, eps=1e-6, per_residue=False, ) metrics["lddt_ca"] = lddt_ca_score drmsd_ca_score = drmsd( pred_coords_masked_ca, gt_coords_masked_ca, mask=all_atom_mask_ca, # still required here to compute n ) metrics["drmsd_ca"] = drmsd_ca_score if superimposition_metrics: superimposed_pred, alignment_rmsd = superimpose( gt_coords_masked_ca, pred_coords_masked_ca, all_atom_mask_ca, ) gdt_ts_score = gdt_ts( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) gdt_ha_score = gdt_ha( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) metrics["alignment_rmsd"] = alignment_rmsd metrics["gdt_ts"] = gdt_ts_score metrics["gdt_ha"] = gdt_ha_score return metrics def softmax_cross_entropy(logits, labels): loss = -1 * torch.sum( labels * torch.nn.functional.log_softmax(logits, dim=-1), dim=-1, ) return loss def sigmoid_cross_entropy(logits, labels): logits_dtype = logits.dtype logits = logits.double() labels = labels.double() log_p = torch.nn.functional.logsigmoid(logits) # log_p = torch.log(torch.sigmoid(logits)) log_not_p = torch.nn.functional.logsigmoid(-1 * logits) # log_not_p = torch.log(torch.sigmoid(-logits)) loss = (-1.0 * labels) * log_p - (1.0 - labels) * log_not_p loss = loss.to(dtype=logits_dtype) return loss def torsion_angle_loss( a, # [*, N, 7, 2] a_gt, # [*, N, 7, 2] a_alt_gt, # [*, N, 7, 2] ): # [*, N, 7] norm = torch.norm(a, dim=-1) # [*, N, 7, 2] a = a / norm.unsqueeze(-1) # [*, N, 7] diff_norm_gt = torch.norm(a - a_gt, dim=-1) diff_norm_alt_gt = torch.norm(a - a_alt_gt, dim=-1) min_diff = torch.minimum(diff_norm_gt**2, diff_norm_alt_gt**2) # [*] l_torsion = torch.mean(min_diff, dim=(-1, -2)) l_angle_norm = torch.mean(torch.abs(norm - 1), dim=(-1, -2)) an_weight = 0.02 return l_torsion + an_weight * l_angle_norm def compute_fape( pred_frames: Rigid, target_frames: Rigid, frames_mask: torch.Tensor, pred_positions: torch.Tensor, target_positions: torch.Tensor, positions_mask: torch.Tensor, length_scale: float, l1_clamp_distance: Optional[float] = None, eps=1e-8, ) -> torch.Tensor: """Computes FAPE loss. Args: pred_frames: [*, N_frames] Rigid object of predicted frames target_frames: [*, N_frames] Rigid object of ground truth frames frames_mask: [*, N_frames] binary mask for the frames pred_positions: [*, N_pts, 3] predicted atom positions target_positions: [*, N_pts, 3] ground truth positions positions_mask: [*, N_pts] positions mask length_scale: Length scale by which the loss is divided l1_clamp_distance: Cutoff above which distance errors are disregarded eps: Small value used to regularize denominators Returns: [*] loss tensor """ # [*, N_frames, N_pts, 3] local_pred_pos = pred_frames.invert()[..., None].apply( pred_positions[..., None, :, :], ) local_target_pos = target_frames.invert()[..., None].apply( target_positions[..., None, :, :], ) error_dist = torch.sqrt( torch.sum((local_pred_pos - local_target_pos) ** 2, dim=-1) + eps ) if l1_clamp_distance is not None: error_dist = torch.clamp(error_dist, min=0, max=l1_clamp_distance) normed_error = error_dist / length_scale normed_error = normed_error * frames_mask[..., None] normed_error = normed_error * positions_mask[..., None, :] # FP16-friendly averaging. Roughly equivalent to: # # norm_factor = ( # torch.sum(frames_mask, dim=-1) * # torch.sum(positions_mask, dim=-1) # ) # normed_error = torch.sum(normed_error, dim=(-1, -2)) / (eps + norm_factor) # # ("roughly" because eps is necessarily duplicated in the latter) normed_error = torch.sum(normed_error, dim=-1) normed_error = ( normed_error / (eps + torch.sum(frames_mask, dim=-1))[..., None] ) normed_error = torch.sum(normed_error, dim=-1) normed_error = normed_error / (eps + torch.sum(positions_mask, dim=-1)) return normed_error def backbone_loss( backbone_rigid_tensor: torch.Tensor, backbone_rigid_mask: torch.Tensor, traj: torch.Tensor, use_clamped_fape: Optional[torch.Tensor] = None, clamp_distance: float = 10.0, loss_unit_distance: float = 10.0, eps: float = 1e-4, **kwargs, ) -> torch.Tensor: pred_aff = Rigid.from_tensor_7(traj) pred_aff = Rigid( Rotation(rot_mats=pred_aff.get_rots().get_rot_mats(), quats=None), pred_aff.get_trans(), ) # DISCREPANCY: DeepMind somehow gets a hold of a tensor_7 version of # backbone tensor, normalizes it, and then turns it back to a rotation # matrix. To avoid a potentially numerically unstable rotation matrix # to quaternion conversion, we just use the original rotation matrix # outright. This one hasn't been composed a bunch of times, though, so # it might be fine. gt_aff = Rigid.from_tensor_4x4(backbone_rigid_tensor) fape_loss = compute_fape( pred_aff, gt_aff[None], backbone_rigid_mask[None], pred_aff.get_trans(), gt_aff[None].get_trans(), backbone_rigid_mask[None], l1_clamp_distance=clamp_distance, length_scale=loss_unit_distance, eps=eps, ) if use_clamped_fape is not None: unclamped_fape_loss = compute_fape( pred_aff, gt_aff[None], backbone_rigid_mask[None], pred_aff.get_trans(), gt_aff[None].get_trans(), backbone_rigid_mask[None], l1_clamp_distance=None, length_scale=loss_unit_distance, eps=eps, ) fape_loss = fape_loss * use_clamped_fape + unclamped_fape_loss * ( 1 - use_clamped_fape ) # Average over the batch dimension fape_loss = torch.mean(fape_loss) return fape_loss def sidechain_loss( sidechain_frames: torch.Tensor, sidechain_atom_pos: torch.Tensor, rigidgroups_gt_frames: torch.Tensor, rigidgroups_alt_gt_frames: torch.Tensor, rigidgroups_gt_exists: torch.Tensor, renamed_atom14_gt_positions: torch.Tensor, renamed_atom14_gt_exists: torch.Tensor, alt_naming_is_better: torch.Tensor, clamp_distance: float = 10.0, length_scale: float = 10.0, eps: float = 1e-4, **kwargs, ) -> torch.Tensor: renamed_gt_frames = ( 1.0 - alt_naming_is_better[..., None, None, None] ) * rigidgroups_gt_frames + alt_naming_is_better[ ..., None, None, None ] * rigidgroups_alt_gt_frames # Steamroll the inputs sidechain_frames = sidechain_frames[-1] batch_dims = sidechain_frames.shape[:-4] sidechain_frames = sidechain_frames.view(*batch_dims, -1, 4, 4) sidechain_frames = Rigid.from_tensor_4x4(sidechain_frames) renamed_gt_frames = renamed_gt_frames.view(*batch_dims, -1, 4, 4) renamed_gt_frames = Rigid.from_tensor_4x4(renamed_gt_frames) rigidgroups_gt_exists = rigidgroups_gt_exists.reshape(*batch_dims, -1) sidechain_atom_pos = sidechain_atom_pos[-1] sidechain_atom_pos = sidechain_atom_pos.view(*batch_dims, -1, 3) renamed_atom14_gt_positions = renamed_atom14_gt_positions.view( *batch_dims, -1, 3 ) renamed_atom14_gt_exists = renamed_atom14_gt_exists.view(*batch_dims, -1) fape = compute_fape( sidechain_frames, renamed_gt_frames, rigidgroups_gt_exists, sidechain_atom_pos, renamed_atom14_gt_positions, renamed_atom14_gt_exists, l1_clamp_distance=clamp_distance, length_scale=length_scale, eps=eps, ) return fape def fape_loss( out: Dict[str, torch.Tensor], batch: Dict[str, torch.Tensor], config: ml_collections.ConfigDict, ) -> torch.Tensor: bb_loss = backbone_loss( traj=out["sm"]["frames"], **{**batch, **config.backbone}, ) if config.sidechain.enable: sc_loss = sidechain_loss( out["sm"]["sidechain_frames"], out["sm"]["positions"], **{**batch, **config.sidechain}, ) else: sc_loss = 0.0 loss = config.backbone.weight * bb_loss + config.sidechain.weight * sc_loss # Average over the batch dimension loss = torch.mean(loss) return loss def supervised_chi_loss( angles_sin_cos: torch.Tensor, unnormalized_angles_sin_cos: torch.Tensor, aatype: torch.Tensor, seq_mask: torch.Tensor, chi_mask: torch.Tensor, chi_angles_sin_cos: torch.Tensor, chi_weight: float, angle_norm_weight: float, eps=1e-6, **kwargs, ) -> torch.Tensor: """Implements Algorithm 27 (torsionAngleLoss) Args: angles_sin_cos: [*, N, 7, 2] predicted angles unnormalized_angles_sin_cos: The same angles, but unnormalized aatype: [*, N] residue indices seq_mask: [*, N] sequence mask chi_mask: [*, N, 7] angle mask chi_angles_sin_cos: [*, N, 7, 2] ground truth angles chi_weight: Weight for the angle component of the loss angle_norm_weight: Weight for the normalization component of the loss Returns: [*] loss tensor """ pred_angles = angles_sin_cos[..., 3:, :] residue_type_one_hot = torch.nn.functional.one_hot( aatype, residue_constants.restype_num + 1, ) chi_pi_periodic = torch.einsum( "...ij,jk->ik", residue_type_one_hot.type(angles_sin_cos.dtype), angles_sin_cos.new_tensor(residue_constants.chi_pi_periodic), ) true_chi = chi_angles_sin_cos[None] shifted_mask = (1 - 2 * chi_pi_periodic).unsqueeze(-1) true_chi_shifted = shifted_mask * true_chi sq_chi_error = torch.sum((true_chi - pred_angles) ** 2, dim=-1) sq_chi_error_shifted = torch.sum( (true_chi_shifted - pred_angles) ** 2, dim=-1 ) sq_chi_error = torch.minimum(sq_chi_error, sq_chi_error_shifted) # The ol' switcheroo sq_chi_error = sq_chi_error.permute( *range(len(sq_chi_error.shape))[1:-2], 0, -2, -1 ) sq_chi_loss = masked_mean( chi_mask[..., None, :, :], sq_chi_error, dim=(-1, -2, -3) ) loss = chi_weight * sq_chi_loss angle_norm = torch.sqrt( torch.sum(unnormalized_angles_sin_cos**2, dim=-1) + eps ) norm_error = torch.abs(angle_norm - 1.0) norm_error = norm_error.permute( *range(len(norm_error.shape))[1:-2], 0, -2, -1 ) angle_norm_loss = masked_mean( seq_mask[..., None, :, None], norm_error, dim=(-1, -2, -3) ) loss = loss + angle_norm_weight * angle_norm_loss # Average over the batch dimension loss = torch.mean(loss) return loss def compute_plddt(logits: torch.Tensor) -> torch.Tensor: num_bins = logits.shape[-1] bin_width = 1.0 / num_bins bounds = torch.arange( start=0.5 * bin_width, end=1.0, step=bin_width, device=logits.device ) probs = torch.nn.functional.softmax(logits, dim=-1) pred_lddt_ca = torch.sum( probs * bounds.view(*((1,) * len(probs.shape[:-1])), *bounds.shape), dim=-1, ) return pred_lddt_ca * 100 def lddt( all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, cutoff: float = 15.0, eps: float = 1e-10, per_residue: bool = True, ) -> torch.Tensor: n = all_atom_mask.shape[-2] dmat_true = torch.sqrt( eps + torch.sum( ( all_atom_positions[..., None, :] - all_atom_positions[..., None, :, :] ) ** 2, dim=-1, ) ) dmat_pred = torch.sqrt( eps + torch.sum( ( all_atom_pred_pos[..., None, :] - all_atom_pred_pos[..., None, :, :] ) ** 2, dim=-1, ) ) dists_to_score = ( (dmat_true < cutoff) * all_atom_mask * permute_final_dims(all_atom_mask, (1, 0)) * (1.0 - torch.eye(n, device=all_atom_mask.device)) ) dist_l1 = torch.abs(dmat_true - dmat_pred) score = ( (dist_l1 < 0.5).type(dist_l1.dtype) + (dist_l1 < 1.0).type(dist_l1.dtype) + (dist_l1 < 2.0).type(dist_l1.dtype) + (dist_l1 < 4.0).type(dist_l1.dtype) ) score = score * 0.25 dims = (-1,) if per_residue else (-2, -1) norm = 1.0 / (eps + torch.sum(dists_to_score, dim=dims)) score = norm * (eps + torch.sum(dists_to_score * score, dim=dims)) return score def lddt_ca( all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, cutoff: float = 15.0, eps: float = 1e-10, per_residue: bool = True, ) -> torch.Tensor: ca_pos = residue_constants.atom_order["CA"] all_atom_pred_pos = all_atom_pred_pos[..., ca_pos, :] all_atom_positions = all_atom_positions[..., ca_pos, :] all_atom_mask = all_atom_mask[..., ca_pos : (ca_pos + 1)] # keep dim return lddt( all_atom_pred_pos, all_atom_positions, all_atom_mask, cutoff=cutoff, eps=eps, per_residue=per_residue, ) def lddt_loss( logits: torch.Tensor, all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, resolution: torch.Tensor, cutoff: float = 15.0, no_bins: int = 50, min_resolution: float = 0.1, max_resolution: float = 3.0, eps: float = 1e-10, **kwargs, ) -> torch.Tensor: n = all_atom_mask.shape[-2] ca_pos = residue_constants.atom_order["CA"] all_atom_pred_pos = all_atom_pred_pos[..., ca_pos, :] all_atom_positions = all_atom_positions[..., ca_pos, :] all_atom_mask = all_atom_mask[..., ca_pos : (ca_pos + 1)] # keep dim score = lddt( all_atom_pred_pos, all_atom_positions, all_atom_mask, cutoff=cutoff, eps=eps, ) score = score.detach() bin_index = torch.floor(score * no_bins).long() bin_index = torch.clamp(bin_index, max=(no_bins - 1)) lddt_ca_one_hot = torch.nn.functional.one_hot( bin_index, num_classes=no_bins ) errors = softmax_cross_entropy(logits, lddt_ca_one_hot) all_atom_mask = all_atom_mask.squeeze(-1) loss = torch.sum(errors * all_atom_mask, dim=-1) / ( eps + torch.sum(all_atom_mask, dim=-1) ) loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) # Average over the batch dimension loss = torch.mean(loss) return loss def distogram_loss( logits, pseudo_beta, pseudo_beta_mask, min_bin=2.3125, max_bin=21.6875, no_bins=64, eps=1e-6, **kwargs, ): boundaries = torch.linspace( min_bin, max_bin, no_bins - 1, device=logits.device, ) boundaries = boundaries**2 dists = torch.sum( (pseudo_beta[..., None, :] - pseudo_beta[..., None, :, :]) ** 2, dim=-1, keepdims=True, ) true_bins = torch.sum(dists > boundaries, dim=-1) errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_bins, no_bins), ) square_mask = pseudo_beta_mask[..., None] * pseudo_beta_mask[..., None, :] # FP16-friendly sum. Equivalent to: # mean = (torch.sum(errors * square_mask, dim=(-1, -2)) / # (eps + torch.sum(square_mask, dim=(-1, -2)))) denom = eps + torch.sum(square_mask, dim=(-1, -2)) mean = errors * square_mask mean = torch.sum(mean, dim=-1) mean = mean / denom[..., None] mean = torch.sum(mean, dim=-1) # Average over the batch dimensions mean = torch.mean(mean) return mean def _calculate_bin_centers(boundaries: torch.Tensor): step = boundaries[1] - boundaries[0] bin_centers = boundaries + step / 2 bin_centers = torch.cat( [bin_centers, (bin_centers[-1] + step).unsqueeze(-1)], dim=0 ) return bin_centers def _calculate_expected_aligned_error( alignment_confidence_breaks: torch.Tensor, aligned_distance_error_probs: torch.Tensor, ) -> Tuple[torch.Tensor, torch.Tensor]: bin_centers = _calculate_bin_centers(alignment_confidence_breaks) return ( torch.sum(aligned_distance_error_probs * bin_centers, dim=-1), bin_centers[-1], ) def compute_predicted_aligned_error( logits: torch.Tensor, max_bin: int = 31, no_bins: int = 64, **kwargs, ) -> Dict[str, torch.Tensor]: """Computes aligned confidence metrics from logits. Args: logits: [*, num_res, num_res, num_bins] the logits output from PredictedAlignedErrorHead. max_bin: Maximum bin value no_bins: Number of bins Returns: aligned_confidence_probs: [*, num_res, num_res, num_bins] the predicted aligned error probabilities over bins for each residue pair. predicted_aligned_error: [*, num_res, num_res] the expected aligned distance error for each pair of residues. max_predicted_aligned_error: [*] the maximum predicted error possible. """ boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) aligned_confidence_probs = torch.nn.functional.softmax(logits, dim=-1) ( predicted_aligned_error, max_predicted_aligned_error, ) = _calculate_expected_aligned_error( alignment_confidence_breaks=boundaries, aligned_distance_error_probs=aligned_confidence_probs, ) return { "aligned_confidence_probs": aligned_confidence_probs, "predicted_aligned_error": predicted_aligned_error, "max_predicted_aligned_error": max_predicted_aligned_error, } def compute_tm( logits: torch.Tensor, residue_weights: Optional[torch.Tensor] = None, max_bin: int = 31, no_bins: int = 64, eps: float = 1e-8, **kwargs, ) -> torch.Tensor: if residue_weights is None: residue_weights = logits.new_ones(logits.shape[-2]) boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) bin_centers = _calculate_bin_centers(boundaries) clipped_n = max(torch.sum(residue_weights), 19) d0 = 1.24 * (clipped_n - 15) ** (1.0 / 3) - 1.8 probs = torch.nn.functional.softmax(logits, dim=-1) tm_per_bin = 1.0 / (1 + (bin_centers**2) / (d0**2)) predicted_tm_term = torch.sum(probs * tm_per_bin, dim=-1) normed_residue_mask = residue_weights / (eps + residue_weights.sum()) per_alignment = torch.sum(predicted_tm_term * normed_residue_mask, dim=-1) weighted = per_alignment * residue_weights argmax = (weighted == torch.max(weighted)).nonzero()[0] return per_alignment[tuple(argmax)] def tm_loss( logits, final_affine_tensor, backbone_rigid_tensor, backbone_rigid_mask, resolution, max_bin=31, no_bins=64, min_resolution: float = 0.1, max_resolution: float = 3.0, eps=1e-8, **kwargs, ): pred_affine = Rigid.from_tensor_7(final_affine_tensor) backbone_rigid = Rigid.from_tensor_4x4(backbone_rigid_tensor) def _points(affine): pts = affine.get_trans()[..., None, :, :] return affine.invert()[..., None].apply(pts) sq_diff = torch.sum( (_points(pred_affine) - _points(backbone_rigid)) ** 2, dim=-1 ) sq_diff = sq_diff.detach() boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) boundaries = boundaries**2 true_bins = torch.sum(sq_diff[..., None] > boundaries, dim=-1) errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_bins, no_bins) ) square_mask = ( backbone_rigid_mask[..., None] * backbone_rigid_mask[..., None, :] ) loss = torch.sum(errors * square_mask, dim=-1) scale = 0.5 # hack to help FP16 training along denom = eps + torch.sum(scale * square_mask, dim=(-1, -2)) loss = loss / denom[..., None] loss = torch.sum(loss, dim=-1) loss = loss * scale loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) # Average over the loss dimension loss = torch.mean(loss) return loss def between_residue_bond_loss( pred_atom_positions: torch.Tensor, # (*, N, 37/14, 3) pred_atom_mask: torch.Tensor, # (*, N, 37/14) residue_index: torch.Tensor, # (*, N) aatype: torch.Tensor, # (*, N) tolerance_factor_soft=12.0, tolerance_factor_hard=12.0, eps=1e-6, ) -> Dict[str, torch.Tensor]: """Flat-bottom loss to penalize structural violations between residues. This is a loss penalizing any violation of the geometry around the peptide bond between consecutive amino acids. This loss corresponds to Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 44, 45. Args: pred_atom_positions: Atom positions in atom37/14 representation pred_atom_mask: Atom mask in atom37/14 representation residue_index: Residue index for given amino acid, this is assumed to be monotonically increasing. aatype: Amino acid type of given residue tolerance_factor_soft: soft tolerance factor measured in standard deviations of pdb distributions tolerance_factor_hard: hard tolerance factor measured in standard deviations of pdb distributions Returns: Dict containing: * 'c_n_loss_mean': Loss for peptide bond length violations * 'ca_c_n_loss_mean': Loss for violations of bond angle around C spanned by CA, C, N * 'c_n_ca_loss_mean': Loss for violations of bond angle around N spanned by C, N, CA * 'per_residue_loss_sum': sum of all losses for each residue * 'per_residue_violation_mask': mask denoting all residues with violation present. """ # Get the positions of the relevant backbone atoms. this_ca_pos = pred_atom_positions[..., :-1, 1, :] this_ca_mask = pred_atom_mask[..., :-1, 1] this_c_pos = pred_atom_positions[..., :-1, 2, :] this_c_mask = pred_atom_mask[..., :-1, 2] next_n_pos = pred_atom_positions[..., 1:, 0, :] next_n_mask = pred_atom_mask[..., 1:, 0] next_ca_pos = pred_atom_positions[..., 1:, 1, :] next_ca_mask = pred_atom_mask[..., 1:, 1] has_no_gap_mask = (residue_index[..., 1:] - residue_index[..., :-1]) == 1.0 # Compute loss for the C--N bond. c_n_bond_length = torch.sqrt( eps + torch.sum((this_c_pos - next_n_pos) ** 2, dim=-1) ) # The C-N bond to proline has slightly different length because of the ring. next_is_proline = ( aatype[..., 1:] == residue_constants.resname_to_idx["PRO"] ) gt_length = ( ~next_is_proline ) * residue_constants.between_res_bond_length_c_n[ 0 ] + next_is_proline * residue_constants.between_res_bond_length_c_n[ 1 ] gt_stddev = ( ~next_is_proline ) * residue_constants.between_res_bond_length_stddev_c_n[ 0 ] + next_is_proline * residue_constants.between_res_bond_length_stddev_c_n[ 1 ] c_n_bond_length_error = torch.sqrt( eps + (c_n_bond_length - gt_length) ** 2 ) c_n_loss_per_residue = torch.nn.functional.relu( c_n_bond_length_error - tolerance_factor_soft * gt_stddev ) mask = this_c_mask * next_n_mask * has_no_gap_mask c_n_loss = torch.sum(mask * c_n_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) c_n_violation_mask = mask * ( c_n_bond_length_error > (tolerance_factor_hard * gt_stddev) ) # Compute loss for the angles. ca_c_bond_length = torch.sqrt( eps + torch.sum((this_ca_pos - this_c_pos) ** 2, dim=-1) ) n_ca_bond_length = torch.sqrt( eps + torch.sum((next_n_pos - next_ca_pos) ** 2, dim=-1) ) c_ca_unit_vec = (this_ca_pos - this_c_pos) / ca_c_bond_length[..., None] c_n_unit_vec = (next_n_pos - this_c_pos) / c_n_bond_length[..., None] n_ca_unit_vec = (next_ca_pos - next_n_pos) / n_ca_bond_length[..., None] ca_c_n_cos_angle = torch.sum(c_ca_unit_vec * c_n_unit_vec, dim=-1) gt_angle = residue_constants.between_res_cos_angles_ca_c_n[0] gt_stddev = residue_constants.between_res_bond_length_stddev_c_n[0] ca_c_n_cos_angle_error = torch.sqrt( eps + (ca_c_n_cos_angle - gt_angle) ** 2 ) ca_c_n_loss_per_residue = torch.nn.functional.relu( ca_c_n_cos_angle_error - tolerance_factor_soft * gt_stddev ) mask = this_ca_mask * this_c_mask * next_n_mask * has_no_gap_mask ca_c_n_loss = torch.sum(mask * ca_c_n_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) ca_c_n_violation_mask = mask * ( ca_c_n_cos_angle_error > (tolerance_factor_hard * gt_stddev) ) c_n_ca_cos_angle = torch.sum((-c_n_unit_vec) * n_ca_unit_vec, dim=-1) gt_angle = residue_constants.between_res_cos_angles_c_n_ca[0] gt_stddev = residue_constants.between_res_cos_angles_c_n_ca[1] c_n_ca_cos_angle_error = torch.sqrt( eps + torch.square(c_n_ca_cos_angle - gt_angle) ) c_n_ca_loss_per_residue = torch.nn.functional.relu( c_n_ca_cos_angle_error - tolerance_factor_soft * gt_stddev ) mask = this_c_mask * next_n_mask * next_ca_mask * has_no_gap_mask c_n_ca_loss = torch.sum(mask * c_n_ca_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) c_n_ca_violation_mask = mask * ( c_n_ca_cos_angle_error > (tolerance_factor_hard * gt_stddev) ) # Compute a per residue loss (equally distribute the loss to both # neighbouring residues). per_residue_loss_sum = ( c_n_loss_per_residue + ca_c_n_loss_per_residue + c_n_ca_loss_per_residue ) per_residue_loss_sum = 0.5 * ( torch.nn.functional.pad(per_residue_loss_sum, (0, 1)) + torch.nn.functional.pad(per_residue_loss_sum, (1, 0)) ) # Compute hard violations. violation_mask = torch.max( torch.stack( [c_n_violation_mask, ca_c_n_violation_mask, c_n_ca_violation_mask], dim=-2, ), dim=-2, )[0] violation_mask = torch.maximum( torch.nn.functional.pad(violation_mask, (0, 1)), torch.nn.functional.pad(violation_mask, (1, 0)), ) return { "c_n_loss_mean": c_n_loss, "ca_c_n_loss_mean": ca_c_n_loss, "c_n_ca_loss_mean": c_n_ca_loss, "per_residue_loss_sum": per_residue_loss_sum, "per_residue_violation_mask": violation_mask, } def between_residue_clash_loss( atom14_pred_positions: torch.Tensor, atom14_atom_exists: torch.Tensor, atom14_atom_radius: torch.Tensor, residue_index: torch.Tensor, overlap_tolerance_soft=1.5, overlap_tolerance_hard=1.5, eps=1e-10, ) -> Dict[str, torch.Tensor]: """Loss to penalize steric clashes between residues. This is a loss penalizing any steric clashes due to non bonded atoms in different peptides coming too close. This loss corresponds to the part with different residues of Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 46. Args: atom14_pred_positions: Predicted positions of atoms in global prediction frame atom14_atom_exists: Mask denoting whether atom at positions exists for given amino acid type atom14_atom_radius: Van der Waals radius for each atom. residue_index: Residue index for given amino acid. overlap_tolerance_soft: Soft tolerance factor. overlap_tolerance_hard: Hard tolerance factor. Returns: Dict containing: * 'mean_loss': average clash loss * 'per_atom_loss_sum': sum of all clash losses per atom, shape (N, 14) * 'per_atom_clash_mask': mask whether atom clashes with any other atom shape (N, 14) """ fp_type = atom14_pred_positions.dtype # Create the distance matrix. # (N, N, 14, 14) dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., :, None, :, None, :] - atom14_pred_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) # Create the mask for valid distances. # shape (N, N, 14, 14) dists_mask = ( atom14_atom_exists[..., :, None, :, None] * atom14_atom_exists[..., None, :, None, :] ).type(fp_type) # Mask out all the duplicate entries in the lower triangular matrix. # Also mask out the diagonal (atom-pairs from the same residue) -- these atoms # are handled separately. dists_mask = dists_mask * ( residue_index[..., :, None, None, None] < residue_index[..., None, :, None, None] ) # Backbone C--N bond between subsequent residues is no clash. c_one_hot = torch.nn.functional.one_hot( residue_index.new_tensor(2), num_classes=14 ) c_one_hot = c_one_hot.reshape( *((1,) * len(residue_index.shape[:-1])), *c_one_hot.shape ) c_one_hot = c_one_hot.type(fp_type) n_one_hot = torch.nn.functional.one_hot( residue_index.new_tensor(0), num_classes=14 ) n_one_hot = n_one_hot.reshape( *((1,) * len(residue_index.shape[:-1])), *n_one_hot.shape ) n_one_hot = n_one_hot.type(fp_type) neighbour_mask = ( residue_index[..., :, None, None, None] + 1 ) == residue_index[..., None, :, None, None] c_n_bonds = ( neighbour_mask * c_one_hot[..., None, None, :, None] * n_one_hot[..., None, None, None, :] ) dists_mask = dists_mask * (1.0 - c_n_bonds) # Disulfide bridge between two cysteines is no clash. cys = residue_constants.restype_name_to_atom14_names["CYS"] cys_sg_idx = cys.index("SG") cys_sg_idx = residue_index.new_tensor(cys_sg_idx) cys_sg_idx = cys_sg_idx.reshape( *((1,) * len(residue_index.shape[:-1])), 1 ).squeeze(-1) cys_sg_one_hot = torch.nn.functional.one_hot(cys_sg_idx, num_classes=14) disulfide_bonds = ( cys_sg_one_hot[..., None, None, :, None] * cys_sg_one_hot[..., None, None, None, :] ) dists_mask = dists_mask * (1.0 - disulfide_bonds) # Compute the lower bound for the allowed distances. # shape (N, N, 14, 14) dists_lower_bound = dists_mask * ( atom14_atom_radius[..., :, None, :, None] + atom14_atom_radius[..., None, :, None, :] ) # Compute the error. # shape (N, N, 14, 14) dists_to_low_error = dists_mask * torch.nn.functional.relu( dists_lower_bound - overlap_tolerance_soft - dists ) # Compute the mean loss. # shape () mean_loss = torch.sum(dists_to_low_error) / (1e-6 + torch.sum(dists_mask)) # Compute the per atom loss sum. # shape (N, 14) per_atom_loss_sum = torch.sum( dists_to_low_error, dim=(-4, -2) ) + torch.sum(dists_to_low_error, axis=(-3, -1)) # Compute the hard clash mask. # shape (N, N, 14, 14) clash_mask = dists_mask * ( dists < (dists_lower_bound - overlap_tolerance_hard) ) # Compute the per atom clash. # shape (N, 14) per_atom_clash_mask = torch.maximum( torch.amax(clash_mask, axis=(-4, -2)), torch.amax(clash_mask, axis=(-3, -1)), ) return { "mean_loss": mean_loss, # shape () "per_atom_loss_sum": per_atom_loss_sum, # shape (N, 14) "per_atom_clash_mask": per_atom_clash_mask, # shape (N, 14) } def within_residue_violations( atom14_pred_positions: torch.Tensor, atom14_atom_exists: torch.Tensor, atom14_dists_lower_bound: torch.Tensor, atom14_dists_upper_bound: torch.Tensor, tighten_bounds_for_loss=0.0, eps=1e-10, ) -> Dict[str, torch.Tensor]: """Loss to penalize steric clashes within residues. This is a loss penalizing any steric violations or clashes of non-bonded atoms in a given peptide. This loss corresponds to the part with the same residues of Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 46. Args: atom14_pred_positions ([*, N, 14, 3]): Predicted positions of atoms in global prediction frame. atom14_atom_exists ([*, N, 14]): Mask denoting whether atom at positions exists for given amino acid type atom14_dists_lower_bound ([*, N, 14]): Lower bound on allowed distances. atom14_dists_upper_bound ([*, N, 14]): Upper bound on allowed distances tighten_bounds_for_loss ([*, N]): Extra factor to tighten loss Returns: Dict containing: * 'per_atom_loss_sum' ([*, N, 14]): sum of all clash losses per atom, shape * 'per_atom_clash_mask' ([*, N, 14]): mask whether atom clashes with any other atom shape """ # Compute the mask for each residue. dists_masks = 1.0 - torch.eye(14, device=atom14_atom_exists.device)[None] dists_masks = dists_masks.reshape( *((1,) * len(atom14_atom_exists.shape[:-2])), *dists_masks.shape ) dists_masks = ( atom14_atom_exists[..., :, :, None] * atom14_atom_exists[..., :, None, :] * dists_masks ) # Distance matrix dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., :, :, None, :] - atom14_pred_positions[..., :, None, :, :] ) ** 2, dim=-1, ) ) # Compute the loss. dists_to_low_error = torch.nn.functional.relu( atom14_dists_lower_bound + tighten_bounds_for_loss - dists ) dists_to_high_error = torch.nn.functional.relu( dists - (atom14_dists_upper_bound - tighten_bounds_for_loss) ) loss = dists_masks * (dists_to_low_error + dists_to_high_error) # Compute the per atom loss sum. per_atom_loss_sum = torch.sum(loss, dim=-2) + torch.sum(loss, dim=-1) # Compute the violations mask. violations = dists_masks * ( (dists < atom14_dists_lower_bound) | (dists > atom14_dists_upper_bound) ) # Compute the per atom violations. per_atom_violations = torch.maximum( torch.max(violations, dim=-2)[0], torch.max(violations, axis=-1)[0] ) return { "per_atom_loss_sum": per_atom_loss_sum, "per_atom_violations": per_atom_violations, } def find_structural_violations( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, violation_tolerance_factor: float, clash_overlap_tolerance: float, **kwargs, ) -> Dict[str, torch.Tensor]: """Computes several checks for structural violations.""" # Compute between residue backbone violations of bonds and angles. connection_violations = between_residue_bond_loss( pred_atom_positions=atom14_pred_positions, pred_atom_mask=batch["atom14_atom_exists"], residue_index=batch["residue_index"], aatype=batch["aatype"], tolerance_factor_soft=violation_tolerance_factor, tolerance_factor_hard=violation_tolerance_factor, ) # Compute the Van der Waals radius for every atom # (the first letter of the atom name is the element type). # Shape: (N, 14). atomtype_radius = [ residue_constants.van_der_waals_radius[name[0]] for name in residue_constants.atom_types ] atomtype_radius = atom14_pred_positions.new_tensor(atomtype_radius) atom14_atom_radius = ( batch["atom14_atom_exists"] * atomtype_radius[batch["residx_atom14_to_atom37"]] ) # Compute the between residue clash loss. between_residue_clashes = between_residue_clash_loss( atom14_pred_positions=atom14_pred_positions, atom14_atom_exists=batch["atom14_atom_exists"], atom14_atom_radius=atom14_atom_radius, residue_index=batch["residue_index"], overlap_tolerance_soft=clash_overlap_tolerance, overlap_tolerance_hard=clash_overlap_tolerance, ) # Compute all within-residue violations (clashes, # bond length and angle violations). restype_atom14_bounds = residue_constants.make_atom14_dists_bounds( overlap_tolerance=clash_overlap_tolerance, bond_length_tolerance_factor=violation_tolerance_factor, ) atom14_atom_exists = batch["atom14_atom_exists"] atom14_dists_lower_bound = atom14_pred_positions.new_tensor( restype_atom14_bounds["lower_bound"] )[batch["aatype"]] atom14_dists_upper_bound = atom14_pred_positions.new_tensor( restype_atom14_bounds["upper_bound"] )[batch["aatype"]] residue_violations = within_residue_violations( atom14_pred_positions=atom14_pred_positions, atom14_atom_exists=batch["atom14_atom_exists"], atom14_dists_lower_bound=atom14_dists_lower_bound, atom14_dists_upper_bound=atom14_dists_upper_bound, tighten_bounds_for_loss=0.0, ) # Combine them to a single per-residue violation mask (used later for LDDT). per_residue_violations_mask = torch.max( torch.stack( [ connection_violations["per_residue_violation_mask"], torch.max( between_residue_clashes["per_atom_clash_mask"], dim=-1 )[0], torch.max(residue_violations["per_atom_violations"], dim=-1)[ 0 ], ], dim=-1, ), dim=-1, )[0] return { "between_residues": { "bonds_c_n_loss_mean": connection_violations[ "c_n_loss_mean" ], # () "angles_ca_c_n_loss_mean": connection_violations[ "ca_c_n_loss_mean" ], # () "angles_c_n_ca_loss_mean": connection_violations[ "c_n_ca_loss_mean" ], # () "connections_per_residue_loss_sum": connection_violations[ "per_residue_loss_sum" ], # (N) "connections_per_residue_violation_mask": connection_violations[ "per_residue_violation_mask" ], # (N) "clashes_mean_loss": between_residue_clashes["mean_loss"], # () "clashes_per_atom_loss_sum": between_residue_clashes[ "per_atom_loss_sum" ], # (N, 14) "clashes_per_atom_clash_mask": between_residue_clashes[ "per_atom_clash_mask" ], # (N, 14) }, "within_residues": { "per_atom_loss_sum": residue_violations[ "per_atom_loss_sum" ], # (N, 14) "per_atom_violations": residue_violations[ "per_atom_violations" ], # (N, 14), }, "total_per_residue_violations_mask": per_residue_violations_mask, # (N) } def find_structural_violations_np( batch: Dict[str, np.ndarray], atom14_pred_positions: np.ndarray, config: ml_collections.ConfigDict, ) -> Dict[str, np.ndarray]: to_tensor = lambda x: torch.tensor(x) batch = tree_map(to_tensor, batch, np.ndarray) atom14_pred_positions = to_tensor(atom14_pred_positions) out = find_structural_violations(batch, atom14_pred_positions, **config) to_np = lambda x: np.array(x) np_out = tensor_tree_map(to_np, out) return np_out def extreme_ca_ca_distance_violations( pred_atom_positions: torch.Tensor, # (N, 37(14), 3) pred_atom_mask: torch.Tensor, # (N, 37(14)) residue_index: torch.Tensor, # (N) max_angstrom_tolerance=1.5, eps=1e-6, ) -> torch.Tensor: """Counts residues whose Ca is a large distance from its neighbour. Measures the fraction of CA-CA pairs between consecutive amino acids that are more than 'max_angstrom_tolerance' apart. Args: pred_atom_positions: Atom positions in atom37/14 representation pred_atom_mask: Atom mask in atom37/14 representation residue_index: Residue index for given amino acid, this is assumed to be monotonically increasing. max_angstrom_tolerance: Maximum distance allowed to not count as violation. Returns: Fraction of consecutive CA-CA pairs with violation. """ this_ca_pos = pred_atom_positions[..., :-1, 1, :] this_ca_mask = pred_atom_mask[..., :-1, 1] next_ca_pos = pred_atom_positions[..., 1:, 1, :] next_ca_mask = pred_atom_mask[..., 1:, 1] has_no_gap_mask = (residue_index[..., 1:] - residue_index[..., :-1]) == 1.0 ca_ca_distance = torch.sqrt( eps + torch.sum((this_ca_pos - next_ca_pos) ** 2, dim=-1) ) violations = ( ca_ca_distance - residue_constants.ca_ca ) > max_angstrom_tolerance mask = this_ca_mask * next_ca_mask * has_no_gap_mask mean = masked_mean(mask, violations, -1) return mean def compute_violation_metrics( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, # (N, 14, 3) violations: Dict[str, torch.Tensor], ) -> Dict[str, torch.Tensor]: """Compute several metrics to assess the structural violations.""" ret = {} extreme_ca_ca_violations = extreme_ca_ca_distance_violations( pred_atom_positions=atom14_pred_positions, pred_atom_mask=batch["atom14_atom_exists"], residue_index=batch["residue_index"], ) ret["violations_extreme_ca_ca_distance"] = extreme_ca_ca_violations ret["violations_between_residue_bond"] = masked_mean( batch["seq_mask"], violations["between_residues"][ "connections_per_residue_violation_mask" ], dim=-1, ) ret["violations_between_residue_clash"] = masked_mean( mask=batch["seq_mask"], value=torch.max( violations["between_residues"]["clashes_per_atom_clash_mask"], dim=-1, )[0], dim=-1, ) ret["violations_within_residue"] = masked_mean( mask=batch["seq_mask"], value=torch.max( violations["within_residues"]["per_atom_violations"], dim=-1 )[0], dim=-1, ) ret["violations_per_residue"] = masked_mean( mask=batch["seq_mask"], value=violations["total_per_residue_violations_mask"], dim=-1, ) return ret def compute_violation_metrics_np( batch: Dict[str, np.ndarray], atom14_pred_positions: np.ndarray, violations: Dict[str, np.ndarray], ) -> Dict[str, np.ndarray]: to_tensor = lambda x: torch.tensor(x) batch = tree_map(to_tensor, batch, np.ndarray) atom14_pred_positions = to_tensor(atom14_pred_positions) violations = tree_map(to_tensor, violations, np.ndarray) out = compute_violation_metrics(batch, atom14_pred_positions, violations) to_np = lambda x: np.array(x) return tree_map(to_np, out, torch.Tensor) def violation_loss( violations: Dict[str, torch.Tensor], atom14_atom_exists: torch.Tensor, eps=1e-6, within_residues_weights=1.0, **kwargs, ) -> torch.Tensor: num_atoms = torch.sum(atom14_atom_exists) l_clash = torch.sum( violations["between_residues"]["clashes_per_atom_loss_sum"] + violations["within_residues"]["per_atom_loss_sum"] ) l_clash = l_clash / (eps + num_atoms) loss = ( violations["between_residues"]["bonds_c_n_loss_mean"] + violations["between_residues"]["angles_ca_c_n_loss_mean"] + violations["between_residues"]["angles_c_n_ca_loss_mean"] + l_clash ) # Average over the batch dimension mean = torch.mean(loss) return mean def compute_renamed_ground_truth( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, eps=1e-10, ) -> Dict[str, torch.Tensor]: """Find optimal renaming of ground truth based on the predicted positions. Alg. 26 "renameSymmetricGroundTruthAtoms" This renamed ground truth is then used for all losses, such that each loss moves the atoms in the same direction. Args: batch: Dictionary containing: * atom14_gt_positions: Ground truth positions. * atom14_alt_gt_positions: Ground truth positions with renaming swaps. * atom14_atom_is_ambiguous: 1.0 for atoms that are affected by renaming swaps. * atom14_gt_exists: Mask for which atoms exist in ground truth. * atom14_alt_gt_exists: Mask for which atoms exist in ground truth after renaming. * atom14_atom_exists: Mask for whether each atom is part of the given amino acid type. atom14_pred_positions: Array of atom positions in global frame with shape Returns: Dictionary containing: alt_naming_is_better: Array with 1.0 where alternative swap is better. renamed_atom14_gt_positions: Array of optimal ground truth positions after renaming swaps are performed. renamed_atom14_gt_exists: Mask after renaming swap is performed. """ pred_dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., None, :, None, :] - atom14_pred_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) atom14_gt_positions = batch["atom14_gt_positions"] gt_dists = torch.sqrt( eps + torch.sum( ( atom14_gt_positions[..., None, :, None, :] - atom14_gt_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) atom14_alt_gt_positions = batch["atom14_alt_gt_positions"] alt_gt_dists = torch.sqrt( eps + torch.sum( ( atom14_alt_gt_positions[..., None, :, None, :] - atom14_alt_gt_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) lddt = torch.sqrt(eps + (pred_dists - gt_dists) ** 2) alt_lddt = torch.sqrt(eps + (pred_dists - alt_gt_dists) ** 2) atom14_gt_exists = batch["atom14_gt_exists"] atom14_atom_is_ambiguous = batch["atom14_atom_is_ambiguous"] mask = ( atom14_gt_exists[..., None, :, None] * atom14_atom_is_ambiguous[..., None, :, None] * atom14_gt_exists[..., None, :, None, :] * (1.0 - atom14_atom_is_ambiguous[..., None, :, None, :]) ) per_res_lddt = torch.sum(mask * lddt, dim=(-1, -2, -3)) alt_per_res_lddt = torch.sum(mask * alt_lddt, dim=(-1, -2, -3)) fp_type = atom14_pred_positions.dtype alt_naming_is_better = (alt_per_res_lddt < per_res_lddt).type(fp_type) renamed_atom14_gt_positions = ( 1.0 - alt_naming_is_better[..., None, None] ) * atom14_gt_positions + alt_naming_is_better[ ..., None, None ] * atom14_alt_gt_positions renamed_atom14_gt_mask = ( 1.0 - alt_naming_is_better[..., None] ) * atom14_gt_exists + alt_naming_is_better[..., None] * batch[ "atom14_alt_gt_exists" ] return { "alt_naming_is_better": alt_naming_is_better, "renamed_atom14_gt_positions": renamed_atom14_gt_positions, "renamed_atom14_gt_exists": renamed_atom14_gt_mask, } def experimentally_resolved_loss( logits: torch.Tensor, atom37_atom_exists: torch.Tensor, all_atom_mask: torch.Tensor, resolution: torch.Tensor, min_resolution: float, max_resolution: float, eps: float = 1e-8, **kwargs, ) -> torch.Tensor: errors = sigmoid_cross_entropy(logits, all_atom_mask) loss = torch.sum(errors * atom37_atom_exists, dim=-1) loss = loss / ( eps + torch.sum(atom37_atom_exists, dim=(-1, -2)).unsqueeze(-1) ) loss = torch.sum(loss, dim=-1) loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) loss = torch.mean(loss) return loss def masked_msa_loss(logits, true_msa, bert_mask, eps=1e-8, **kwargs): """Computes BERT-style masked MSA loss. Implements subsection 1.9.9. Args: logits: [*, N_seq, N_res, 23] predicted residue distribution true_msa: [*, N_seq, N_res] true MSA bert_mask: [*, N_seq, N_res] MSA mask Returns: Masked MSA loss """ errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_msa, num_classes=23) ) # FP16-friendly averaging. Equivalent to: # loss = ( # torch.sum(errors * bert_mask, dim=(-1, -2)) / # (eps + torch.sum(bert_mask, dim=(-1, -2))) # ) loss = errors * bert_mask loss = torch.sum(loss, dim=-1) scale = 0.5 denom = eps + torch.sum(scale * bert_mask, dim=(-1, -2)) loss = loss / denom[..., None] loss = torch.sum(loss, dim=-1) loss = loss * scale loss = torch.mean(loss) return loss def lm_loss(logits, aatype, mask=None, eps=1e-8, **kwargs): """Computes BERT-style masked MSA loss. Implements subsection 1.9.9. Args: logits: [*, N_seq, N_res, 23] predicted residue distribution true_msa: [*, N_seq, N_res] true MSA bert_mask: [*, N_seq, N_res] MSA mask Returns: Masked MSA loss """ loss_fn = CrossEntropyLoss() loss, logging_outputs = loss_fn(logits, aatype, mask) # FP16-friendly averaging. Equivalent to: # loss = ( # torch.sum(errors * bert_mask, dim=(-1, -2)) / # (eps + torch.sum(bert_mask, dim=(-1, -2))) # ) # loss = errors * bert_mask # loss = torch.sum(loss, dim=-1) # scale = 0.5 # denom = eps + torch.sum(scale * bert_mask, dim=(-1, -2)) # loss = loss / denom[..., None] # loss = torch.sum(loss, dim=-1) # loss = loss * scale # loss = torch.mean(loss) return loss def backbone_atom_loss( atom37_pred_positions: torch.Tensor, atom37_gt_positions: torch.Tensor, mask: torch.Tensor, eps: float = 1e-8, **kwargs, ) -> torch.Tensor: """Computes backbone atom loss. Args: atom37_pred_positions: [*, N_res, 37, 3] predicted positions atom37_gt_positions: [*, N_res, 37, 3] ground truth positions atom37_atom_exists: [*, N_res] mask for which atoms exist Returns: Backbone atom loss """ # Compute L2 distance between predicted and ground truth positions. l2_distance = torch.sqrt( torch.sum( (atom37_pred_positions[:, :, :3] - atom37_gt_positions[:, :, :3]) ** 2 * mask[..., None, None], dim=[-1, -2, -3], ) ) / (eps + torch.sum(mask * 3, dim=-1)) return l2_distance.mean() def measure_perplexity(predicted_indices, n_embed): # src: https://github.com/karpathy/deep-vector-quantization/blob/main/model.py # eval cluster perplexity. when perplexity == num_embeddings then all clusters are used exactly equally encodings = ( F.one_hot(predicted_indices, n_embed).float().reshape(-1, n_embed) ) avg_probs = encodings.mean(0) perplexity = (-(avg_probs * torch.log(avg_probs + 1e-10)).sum()).exp() cluster_use = torch.sum(avg_probs > 0) return perplexity, cluster_use class StructureVQLoss(nn.Module): def __init__(self, config): super().__init__() self.config = config self.rec_loss = AlphaFoldLoss(config.rec_loss) self.config.rec_loss = self.rec_loss.config self.codebook_weight = self.config.codebook_loss.weight self.codebook_n_classes = self.config.codebook_loss.num_codes def forward( self, out, batch, codebook_loss, global_step=None, predicted_indices=None, ): batch_size = batch["res_mask"].shape[0] if "atom14_gt_positions" not in batch: batch["atom14_gt_positions"] = batch["atom14_positions"] if "atom14_atom_exists" not in batch: batch["atom14_atom_exists"] = out["atom14_atom_exists"] if "seq_length" not in batch: batch["seq_length"] = batch["res_mask"].sum(-1).long() if "resolution" not in batch: batch["resolution"] = torch.ones((batch_size,)).to( batch["res_mask"] ) if "residue_index" not in batch: batch["residue_index"] = out["residue_index"] if "lddt_logits" not in out: out["lddt_logits"] = out["lddt_head"][-1, :, :, 0, :] rec_loss, _logging_output = self.rec_loss( out, batch, _return_breakdown=True ) scaling_factor = _logging_output["loss_scale"] loss = rec_loss + scaling_factor * self.codebook_weight * codebook_loss not_nan = 1.0 if not _logging_output.pop("nan", False) else 0.0 loss = loss * not_nan logging_outputs = {} logging_outputs["loss"] = loss.item() logging_outputs["rec_loss"] = _logging_output.pop("loss").item() logging_outputs["codebook_loss"] = codebook_loss.item() for kk, vv in _logging_output.items(): logging_outputs[f"rec/{kk}"] = vv.item() if predicted_indices is not None: assert self.codebook_n_classes is not None with torch.no_grad(): perplexity, cluster_usage = measure_perplexity( predicted_indices.flatten(), self.codebook_n_classes ) logging_outputs[f"codebook/perplexity"] = perplexity.item() logging_outputs[f"codebook/cluster_usage"] = cluster_usage.item() logging_outputs["bsz"] = batch_size logging_outputs["avg_len"] = batch["seq_length"].float().mean().item() logging_outputs["num_residue"] = batch["seq_length"].sum().item() logging_outputs["num_res_sqr"] = ( (batch["seq_length"] ** 2).sum().item() ) return loss, logging_outputs class AlphaFoldLoss(nn.Module): """Aggregation of the various losses described in the supplement.""" def __init__(self, config=None): super(AlphaFoldLoss, self).__init__() self.config = merge_config(AF2LossConfig, config) def forward(self, out, batch, _return_breakdown=False): if "violation" not in out.keys(): out["violation"] = find_structural_violations( batch, out["sm"]["positions"][-1], **self.config.violation, ) # if "renamed_atom14_gt_positions" not in out.keys(): # batch.update( # compute_renamed_ground_truth( # batch, # out["sm"]["positions"][-1], # ) # ) loss_fns = { "distogram": lambda: distogram_loss( logits=out["distogram_logits"], **{**batch, **self.config.distogram}, ), # "experimentally_resolved": lambda: experimentally_resolved_loss( # logits=out["experimentally_resolved_logits"], # **{**batch, **self.config.experimentally_resolved}, # ), "fape": lambda: fape_loss( out, batch, self.config.fape, ), # "backb_atom": lambda: backbone_atom_loss( # atom37_pred_positions=out["final_atom_positions"], # atom37_gt_positions=batch["all_atom_positions"], # mask=batch["res_mask"], # **self.config.backb_atom, # ), # "plddt_loss": lambda: lddt_loss( # logits=out["lddt_logits"], # all_atom_pred_pos=out["final_atom_positions"], # **{**batch, **self.config.plddt_loss}, # ), # "masked_msa": lambda: masked_msa_loss( # logits=out["masked_msa_logits"], # **{**batch, **self.config.masked_msa}, # ), "lm_loss": lambda: lm_loss( logits=out["lm_logits"], **{**batch, **self.config.lm_loss}, ), # "supervised_chi": lambda: supervised_chi_loss( # out["sm"]["angles"], # out["sm"]["unnormalized_angles"], # **{**batch, **self.config.supervised_chi}, # ), "violation": lambda: violation_loss( out["violation"], **batch, ), } if self.config.tm.enabled: loss_fns["tm"] = lambda: tm_loss( logits=out["tm_logits"], **{**batch, **out, **self.config.tm}, ) cum_loss = 0.0 losses = {} for loss_name, loss_fn in loss_fns.items(): weight = self.config[loss_name].weight loss = loss_fn() if torch.isnan(loss) or torch.isinf(loss): # for k,v in batch.items(): # if(torch.any(torch.isnan(v)) or torch.any(torch.isinf(v))): # logging.warning(f"{k}: is nan") # logging.warning(f"{loss_name}: {loss}") log.warning(f"{loss_name} loss is NaN. Skipping...") loss = loss.new_tensor(0.0, requires_grad=True) losses["nan"] = True cum_loss = cum_loss + weight * loss losses[loss_name] = loss.detach().clone() losses["unscaled_loss"] = cum_loss.detach().clone() # Scale the loss by the square root of the minimum of the crop size and # the (average) sequence length. See subsection 1.9. seq_len = torch.mean(batch["seq_length"].float()) crop_len = torch.tensor( batch["aatype"].shape[-1], device=seq_len.device ) loss_scale = torch.sqrt(min(seq_len, crop_len)) cum_loss = cum_loss * loss_scale losses["loss"] = cum_loss.detach().clone() losses["loss_scale"] = loss_scale if not _return_breakdown: return cum_loss return cum_loss, losses eps = 1e-6 AF2LossConfig = CONFIG( **{ "distogram": { "min_bin": 2.3125, "max_bin": 21.6875, "no_bins": 64, "eps": eps, # 1e-6, "weight": 1.0, # 0.3, }, "experimentally_resolved": { "eps": eps, # 1e-8, "min_resolution": 0.1, "max_resolution": 3.0, "weight": 0.0, }, "fape": { "backbone": { "clamp_distance": 10.0, "loss_unit_distance": 10.0, "weight": 1.0, }, "sidechain": { "enable": False, "clamp_distance": 10.0, "length_scale": 10.0, "weight": 0.5, }, "eps": 1e-4, "weight": 1.0, }, "plddt_loss": { "min_resolution": 0.1, "max_resolution": 3.0, "cutoff": 15.0, "no_bins": 50, "eps": eps, # 1e-10, "weight": 0.01, }, "masked_msa": { "eps": eps, # 1e-8, "weight": 2.0, }, "lm_loss": { "eps": eps, # 1e-8, "weight": 1.0, }, "backb_atom": { "eps": eps, # 1e-8, "weight": 1.0, }, "supervised_chi": { "chi_weight": 0.5, "angle_norm_weight": 0.01, "eps": eps, # 1e-6, "weight": 1.0, }, "violation": { "violation_tolerance_factor": 12.0, "clash_overlap_tolerance": 1.5, "eps": eps, # 1e-6, "between_residue_weight": 0.0, "weight": 0.0, }, "tm": { "max_bin": 31, "no_bins": 64, "min_resolution": 0.1, "max_resolution": 3.0, "eps": eps, # 1e-8, "weight": 0.0, "enabled": False, }, "eps": eps, } ) ================================================ FILE: src/byprot/models/structok/modules/nn.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import torch from esm.modules import ( ContactPredictionHead, ESM1bLayerNorm, RobertaLMHead, TransformerLayer, ) from torch import nn class TransformerEncoder(nn.Module): def __init__(self, embed_dim, attnetion_heads, num_layers): super().__init__() self.embed_dim = embed_dim self.attention_heads = attnetion_heads self.num_layers = num_layers self.layers = nn.ModuleList( [ TransformerLayer( self.embed_dim, 4 * self.embed_dim, self.attention_heads, add_bias_kv=False, use_esm1b_layer_norm=True, use_rotary_embeddings=True, ) for _ in range(self.num_layers) ] ) self.emb_layer_norm_after = ESM1bLayerNorm(self.embed_dim) def forward( self, x, padding_mask=None, repr_layers=[], need_head_weights=False ): # x = self.embed_scale * h if padding_mask is not None: x = x * (1 - padding_mask.unsqueeze(-1).type_as(x)) repr_layers = set(repr_layers) hidden_representations = {} if 0 in repr_layers: hidden_representations[0] = x if need_head_weights: attn_weights = [] # (B, T, E) => (T, B, E) x = x.transpose(0, 1) # if not padding_mask.any(): # padding_mask = None for layer_idx, layer in enumerate(self.layers): x, attn = layer( x, self_attn_padding_mask=padding_mask, need_head_weights=need_head_weights, ) if (layer_idx + 1) in repr_layers: hidden_representations[layer_idx + 1] = x.transpose(0, 1) if need_head_weights: # (H, B, T, T) => (B, H, T, T) attn_weights.append(attn.transpose(1, 0)) x = self.emb_layer_norm_after(x) x = x.transpose(0, 1) # (T, B, E) => (B, T, E) # last hidden representation should have layer norm applied if (layer_idx + 1) in repr_layers: hidden_representations[layer_idx + 1] = x result = {"out": x, "representations": hidden_representations} if need_head_weights: # attentions: B x L x H x T x T attentions = torch.stack(attn_weights, 1) if padding_mask is not None: attention_mask = 1 - padding_mask.type_as(attentions) attention_mask = attention_mask.unsqueeze( 1 ) * attention_mask.unsqueeze(2) attentions = attentions * attention_mask[:, None, None, :, :] result["attentions"] = attentions return result ================================================ FILE: src/byprot/models/structok/modules/vqvae.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/CompVis/taming-transformers/blob/master/taming/modules/vqvae/quantize.py # # This modified file is released under the same license. import numpy as np import torch import torch.nn as nn import torch.nn.functional as F from einops import rearrange from torch import einsum class VectorQuantizer(nn.Module): """ see https://github.com/MishaLaskin/vqvae/blob/d761a999e2267766400dc646d82d3ac3657771d4/models/quantizer.py ____________________________________________ Discretization bottleneck part of the VQ-VAE. Inputs: - n_e : number of embeddings - e_dim : dimension of embedding - beta : commitment cost used in loss term, beta * ||z_e(x)-sg[e]||^2 _____________________________________________ """ # NOTE: this class contains a bug regarding beta; see VectorQuantizer2 for # a fix and use legacy=False to apply that fix. VectorQuantizer2 can be # used wherever VectorQuantizer has been used before and is additionally # more efficient. def __init__(self, n_e, e_dim, beta): super(VectorQuantizer, self).__init__() self.n_e = n_e self.e_dim = e_dim self.beta = beta self.embedding = nn.Embedding(self.n_e, self.e_dim) self.embedding.weight.data.uniform_(-1.0 / self.n_e, 1.0 / self.n_e) def forward(self, z): """ Inputs the output of the encoder network z and maps it to a discrete one-hot vector that is the index of the closest embedding vector e_j z (continuous) -> z_q (discrete) z.shape = (batch, channel, height, width) quantization pipeline: 1. get encoder input (B,C,H,W) 2. flatten input to (B*H*W,C) """ # reshape z -> (batch, height, width, channel) and flatten z = z.permute(0, 2, 3, 1).contiguous() z_flattened = z.view(-1, self.e_dim) # distances from z to embeddings e_j (z - e)^2 = z^2 + e^2 - 2 e * z d = ( torch.sum(z_flattened**2, dim=1, keepdim=True) + torch.sum(self.embedding.weight**2, dim=1) - 2 * torch.matmul(z_flattened, self.embedding.weight.t()) ) ## could possible replace this here # #\start... # find closest encodings min_encoding_indices = torch.argmin(d, dim=1).unsqueeze(1) min_encodings = torch.zeros( min_encoding_indices.shape[0], self.n_e ).to(z) min_encodings.scatter_(1, min_encoding_indices, 1) # dtype min encodings: torch.float32 # min_encodings shape: torch.Size([2048, 512]) # min_encoding_indices.shape: torch.Size([2048, 1]) # get quantized latent vectors z_q = torch.matmul(min_encodings, self.embedding.weight).view(z.shape) # .........\end # with: # .........\start # min_encoding_indices = torch.argmin(d, dim=1) # z_q = self.embedding(min_encoding_indices) # ......\end......... (TODO) # compute loss for embedding loss = torch.mean((z_q.detach() - z) ** 2) + self.beta * torch.mean( (z_q - z.detach()) ** 2 ) # preserve gradients z_q = z + (z_q - z).detach() # perplexity e_mean = torch.mean(min_encodings, dim=0) perplexity = torch.exp(-torch.sum(e_mean * torch.log(e_mean + 1e-10))) # reshape back to match original input shape z_q = z_q.permute(0, 3, 1, 2).contiguous() return z_q, loss, (perplexity, min_encodings, min_encoding_indices) def get_codebook_entry(self, indices, shape): # shape specifying (batch, height, width, channel) # TODO: check for more easy handling with nn.Embedding min_encodings = torch.zeros(indices.shape[0], self.n_e).to(indices) min_encodings.scatter_(1, indices[:, None], 1) # get quantized latent vectors z_q = torch.matmul(min_encodings.float(), self.embedding.weight) if shape is not None: z_q = z_q.view(shape) # reshape back to match original input shape z_q = z_q.permute(0, 3, 1, 2).contiguous() return z_q class GumbelQuantize(nn.Module): """credit to @karpathy: https://github.com/karpathy/deep-vector- quantization/blob/main/model.py (thanks!) Gumbel Softmax trick quantizer Categorical Reparameterization with Gumbel-Softmax, Jang et al. 2016 https://arxiv.org/abs/1611.01144 """ def __init__( self, num_hiddens, embedding_dim, n_embed, straight_through=True, kl_weight=5e-4, temp_init=1.0, use_vqinterface=True, remap=None, unknown_index="random", ): super().__init__() self.embedding_dim = embedding_dim self.n_embed = n_embed self.straight_through = straight_through self.temperature = temp_init self.kl_weight = kl_weight self.proj = nn.Conv2d(num_hiddens, n_embed, 1) self.embed = nn.Embedding(n_embed, embedding_dim) self.use_vqinterface = use_vqinterface self.remap = remap if self.remap is not None: self.register_buffer("used", torch.tensor(np.load(self.remap))) self.re_embed = self.used.shape[0] self.unknown_index = ( unknown_index # "random" or "extra" or integer ) if self.unknown_index == "extra": self.unknown_index = self.re_embed self.re_embed = self.re_embed + 1 print( f"Remapping {self.n_embed} indices to {self.re_embed} indices. " f"Using {self.unknown_index} for unknown indices." ) else: self.re_embed = n_embed def remap_to_used(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) match = (inds[:, :, None] == used[None, None, ...]).long() new = match.argmax(-1) unknown = match.sum(2) < 1 if self.unknown_index == "random": new[unknown] = torch.randint( 0, self.re_embed, size=new[unknown].shape ).to(device=new.device) else: new[unknown] = self.unknown_index return new.reshape(ishape) def unmap_to_all(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) if self.re_embed > self.used.shape[0]: # extra token inds[inds >= self.used.shape[0]] = 0 # simply set to zero back = torch.gather(used[None, :][inds.shape[0] * [0], :], 1, inds) return back.reshape(ishape) def forward(self, z, temp=None, return_logits=False): # force hard = True when we are in eval mode, as we must quantize. actually, always true seems to work hard = self.straight_through if self.training else True temp = self.temperature if temp is None else temp logits = self.proj(z) if self.remap is not None: # continue only with used logits full_zeros = torch.zeros_like(logits) logits = logits[:, self.used, ...] soft_one_hot = F.gumbel_softmax(logits, tau=temp, dim=1, hard=hard) if self.remap is not None: # go back to all entries but unused set to zero full_zeros[:, self.used, ...] = soft_one_hot soft_one_hot = full_zeros z_q = einsum( "b n h w, n d -> b d h w", soft_one_hot, self.embed.weight ) # + kl divergence to the prior loss qy = F.softmax(logits, dim=1) diff = ( self.kl_weight * torch.sum( qy * torch.log(qy * self.n_embed + 1e-10), dim=1 ).mean() ) ind = soft_one_hot.argmax(dim=1) if self.remap is not None: ind = self.remap_to_used(ind) if self.use_vqinterface: if return_logits: return z_q, diff, (None, None, ind), logits return z_q, diff, (None, None, ind) return z_q, diff, ind def get_codebook_entry(self, indices, shape): b, h, w, c = shape assert b * h * w == indices.shape[0] indices = rearrange(indices, "(b h w) -> b h w", b=b, h=h, w=w) if self.remap is not None: indices = self.unmap_to_all(indices) one_hot = ( F.one_hot(indices, num_classes=self.n_embed) .permute(0, 3, 1, 2) .float() ) z_q = einsum("b n h w, n d -> b d h w", one_hot, self.embed.weight) return z_q class VectorQuantizer2(nn.Module): """Improved version over VectorQuantizer, can be used as a drop-in replacement. Mostly avoids costly matrix multiplications and allows for post-hoc remapping of indices. """ # NOTE: due to a bug the beta term was applied to the wrong term. for # backwards compatibility we use the buggy version by default, but you can # specify legacy=False to fix it. def __init__( self, n_e, e_dim, beta, remap=None, unknown_index="random", sane_index_shape=False, legacy=True, padding_idx=0, ): super().__init__() self.n_e = n_e self.e_dim = e_dim self.beta = beta self.legacy = legacy self.padding_idx = padding_idx self.embedding = nn.Embedding(self.n_e, self.e_dim) self.embedding.weight.data.uniform_(-1.0 / self.n_e, 1.0 / self.n_e) self.remap = remap if self.remap is not None: self.register_buffer("used", torch.tensor(np.load(self.remap))) self.re_embed = self.used.shape[0] self.unknown_index = ( unknown_index # "random" or "extra" or integer ) if self.unknown_index == "extra": self.unknown_index = self.re_embed self.re_embed = self.re_embed + 1 print( f"Remapping {self.n_e} indices to {self.re_embed} indices. " f"Using {self.unknown_index} for unknown indices." ) else: self.re_embed = n_e self.sane_index_shape = sane_index_shape def remap_to_used(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) match = (inds[:, :, None] == used[None, None, ...]).long() new = match.argmax(-1) unknown = match.sum(2) < 1 if self.unknown_index == "random": new[unknown] = torch.randint( 0, self.re_embed, size=new[unknown].shape ).to(device=new.device) else: new[unknown] = self.unknown_index return new.reshape(ishape) def unmap_to_all(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) if self.re_embed > self.used.shape[0]: # extra token inds[inds >= self.used.shape[0]] = 0 # simply set to zero back = torch.gather(used[None, :][inds.shape[0] * [0], :], 1, inds) return back.reshape(ishape) def forward( self, z, mask, temp=None, rescale_logits=False, return_logits=False ): assert ( temp is None or temp == 1.0 ), "Only for interface compatible with Gumbel" assert ( rescale_logits == False ), "Only for interface compatible with Gumbel" assert ( return_logits == False ), "Only for interface compatible with Gumbel" # reshape z -> (batch, height, width, channel) and flatten # z = rearrange(z, 'b c h w -> b h w c').contiguous() z = rearrange(z, "b l c -> b l c").contiguous() z_flattened = z.view(-1, self.e_dim) # distances from z to embeddings e_j (z - e)^2 = z^2 + e^2 - 2 e * z d = ( torch.sum(z_flattened**2, dim=1, keepdim=True) + torch.sum(self.embedding.weight**2, dim=1) - 2 * torch.einsum( "bd,dn->bn", z_flattened, rearrange(self.embedding.weight, "n d -> d n"), ) ) min_encoding_indices = torch.argmin(d, dim=1) z_q = self.embedding(min_encoding_indices).view(z.shape) perplexity = None min_encodings = None def _masked_mean(t, m): if m is None: return torch.mean(t) masked_t = t * m[..., None] return masked_t.sum() / (masked_t != 0).long().sum() # compute loss for embedding if not self.legacy: # loss = self.beta * torch.mean((z_q.detach() - z) ** 2) + torch.mean( # (z_q - z.detach()) ** 2 # ) loss = self.beta * _masked_mean( (z_q.detach() - z) ** 2, mask ) + _masked_mean((z_q - z.detach()) ** 2, mask) else: loss = torch.mean( (z_q.detach() - z) ** 2 ) + self.beta * torch.mean((z_q - z.detach()) ** 2) # preserve gradients z_q = z + (z_q - z).detach() # reshape back to match original input shape # z_q = rearrange(z_q, 'b h w c -> b c h w').contiguous() z_q = rearrange(z_q, "b l c -> b l c").contiguous() if self.remap is not None: min_encoding_indices = min_encoding_indices.reshape( z.shape[0], -1 ) # add batch axis min_encoding_indices = self.remap_to_used(min_encoding_indices) min_encoding_indices = min_encoding_indices.reshape( -1, 1 ) # flatten if self.sane_index_shape: # min_encoding_indices = min_encoding_indices.reshape( # z_q.shape[0], z_q.shape[2], z_q.shape[3]) min_encoding_indices = min_encoding_indices.reshape( z_q.shape[0], z_q.shape[1] ) return z_q, loss, (perplexity, min_encodings, min_encoding_indices) def get_codebook_entry(self, indices, shape=None): # shape specifying (batch, height, width, channel) if self.remap is not None: indices = indices.reshape(shape[0], -1) # add batch axis indices = self.unmap_to_all(indices) indices = indices.reshape(-1) # flatten again # get quantized latent vectors z_q = self.embedding(indices) if shape is not None: z_q = z_q.view(shape[0], shape[1], -1) # reshape back to match original input shape # z_q = z_q.permute(0, 3, 1, 2).contiguous() return z_q class EmbeddingEMA(nn.Module): def __init__(self, num_tokens, codebook_dim, decay=0.99, eps=1e-5): super().__init__() self.decay = decay self.eps = eps weight = torch.randn(num_tokens, codebook_dim) self.weight = nn.Parameter(weight, requires_grad=False) self.cluster_size = nn.Parameter( torch.zeros(num_tokens), requires_grad=False ) self.embed_avg = nn.Parameter(weight.clone(), requires_grad=False) self.update = True def forward(self, embed_id): return F.embedding(embed_id, self.weight) def cluster_size_ema_update(self, new_cluster_size): self.cluster_size.data.mul_(self.decay).add_( new_cluster_size, alpha=1 - self.decay ) def embed_avg_ema_update(self, new_embed_avg): self.embed_avg.data.mul_(self.decay).add_( new_embed_avg, alpha=1 - self.decay ) def weight_update(self, num_tokens): n = self.cluster_size.sum() smoothed_cluster_size = ( (self.cluster_size + self.eps) / (n + num_tokens * self.eps) * n ) # normalize embedding average with smoothed cluster size embed_normalized = self.embed_avg / smoothed_cluster_size.unsqueeze(1) self.weight.data.copy_(embed_normalized) class EMAVectorQuantizer(nn.Module): def __init__( self, n_embed, embedding_dim, beta, decay=0.99, eps=1e-5, remap=None, unknown_index="random", ): super().__init__() self.codebook_dim = codebook_dim self.num_tokens = num_tokens self.beta = beta self.embedding = EmbeddingEMA( self.num_tokens, self.codebook_dim, decay, eps ) self.remap = remap if self.remap is not None: self.register_buffer("used", torch.tensor(np.load(self.remap))) self.re_embed = self.used.shape[0] self.unknown_index = ( unknown_index # "random" or "extra" or integer ) if self.unknown_index == "extra": self.unknown_index = self.re_embed self.re_embed = self.re_embed + 1 print( f"Remapping {self.n_embed} indices to {self.re_embed} indices. " f"Using {self.unknown_index} for unknown indices." ) else: self.re_embed = n_embed def remap_to_used(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) match = (inds[:, :, None] == used[None, None, ...]).long() new = match.argmax(-1) unknown = match.sum(2) < 1 if self.unknown_index == "random": new[unknown] = torch.randint( 0, self.re_embed, size=new[unknown].shape ).to(device=new.device) else: new[unknown] = self.unknown_index return new.reshape(ishape) def unmap_to_all(self, inds): ishape = inds.shape assert len(ishape) > 1 inds = inds.reshape(ishape[0], -1) used = self.used.to(inds) if self.re_embed > self.used.shape[0]: # extra token inds[inds >= self.used.shape[0]] = 0 # simply set to zero back = torch.gather(used[None, :][inds.shape[0] * [0], :], 1, inds) return back.reshape(ishape) def forward(self, z): # reshape z -> (batch, height, width, channel) and flatten # z, 'b c h w -> b h w c' z = rearrange(z, "b c h w -> b h w c") z_flattened = z.reshape(-1, self.codebook_dim) # distances from z to embeddings e_j (z - e)^2 = z^2 + e^2 - 2 e * z d = ( z_flattened.pow(2).sum(dim=1, keepdim=True) + self.embedding.weight.pow(2).sum(dim=1) - 2 * torch.einsum("bd,nd->bn", z_flattened, self.embedding.weight) ) # 'n d -> d n' encoding_indices = torch.argmin(d, dim=1) z_q = self.embedding(encoding_indices).view(z.shape) encodings = F.one_hot(encoding_indices, self.num_tokens).type(z.dtype) avg_probs = torch.mean(encodings, dim=0) perplexity = torch.exp( -torch.sum(avg_probs * torch.log(avg_probs + 1e-10)) ) if self.training and self.embedding.update: # EMA cluster size encodings_sum = encodings.sum(0) self.embedding.cluster_size_ema_update(encodings_sum) # EMA embedding average embed_sum = encodings.transpose(0, 1) @ z_flattened self.embedding.embed_avg_ema_update(embed_sum) # normalize embed_avg and update weight self.embedding.weight_update(self.num_tokens) # compute loss for embedding loss = self.beta * F.mse_loss(z_q.detach(), z) # preserve gradients z_q = z + (z_q - z).detach() # reshape back to match original input shape # z_q, 'b h w c -> b c h w' z_q = rearrange(z_q, "b h w c -> b c h w") return z_q, loss, (perplexity, encodings, encoding_indices) ================================================ FILE: src/byprot/models/structok/structok_lfq.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import os import torch from torch import nn from byprot.datamodules.pdb_dataset import protein from byprot.datamodules.pdb_dataset.pdb_datamodule import ( PdbDataset, aatype_to_seq, collate_fn, seq_to_aatype, struct_ids_to_seq, struct_seq_to_ids, ) from byprot.models import register_model from .modules.ema import LitEma from .modules.folding_utils.decoder import ESMFoldStructureDecoder as Decoder from .modules.gvp_encoder import GVPTransformerEncoderWrapper2 as Encoder from .modules.lfq import LFQ from .modules.nn import TransformerEncoder def exists(o): return o is not None @register_model("structok_lfq") class VQModel(nn.Module): def __init__( self, encoder_config, decoder_config, codebook_config, ckpt_path=None, ignore_keys=[], image_key="image", colorize_nlabels=None, monitor=None, batch_resize_range=None, scheduler_config=None, lr_g_factor=1.0, remap=None, sane_index_shape=True, # tell vector quantizer to return indices as bhw use_ema=False, ): super().__init__() self.codebook_embed_dim = codebook_config.embed_dim self.num_codebook = codebook_config.num_codes self.image_key = image_key self.encoder = Encoder(**encoder_config) self.decoder = Decoder(**decoder_config) self.loss = None # instantiate_from_config(lossconfig) self.quantize = LFQ( dim=self.codebook_embed_dim, codebook_size=self.num_codebook, entropy_loss_weight=codebook_config.entropy_loss_weight, commitment_loss_weight=codebook_config.commitment_loss_weight, ) # self.pre_quant = torch.nn.Linear(self.encoder.embed_dim, self.codebook_embed_dim) self.pre_quant = nn.Sequential( nn.LayerNorm(self.encoder.embed_dim), nn.Linear(self.encoder.embed_dim, self.codebook_embed_dim), nn.ReLU(), nn.Linear(self.codebook_embed_dim, self.codebook_embed_dim), ) if codebook_config.get("freeze"): self.quantize.requires_grad_(False) self.pre_quant.requires_grad_(False) # self.post_quant_conv = torch.nn.Conv2d(embed_dim, ddconfig["z_channels"], 1) self.post_quant = nn.ModuleDict( { "mlp": nn.Sequential( nn.LayerNorm(self.codebook_embed_dim), nn.Linear(self.codebook_embed_dim, self.decoder.input_dim), nn.ReLU(), nn.Linear(self.decoder.input_dim, self.decoder.input_dim), ), "transformer": TransformerEncoder( self.decoder.input_dim, 8, 4 ), } ) if monitor is not None: self.monitor = monitor self.batch_resize_range = batch_resize_range if self.batch_resize_range is not None: print( f"{self.__class__.__name__}: Using per-batch resizing in range {batch_resize_range}." ) self.use_ema = use_ema if self.use_ema: self.model_ema = LitEma(self) print(f"Keeping EMAs of {len(list(self.model_ema.buffers()))}.") if ckpt_path is not None: self.init_from_ckpt(ckpt_path, ignore_keys=ignore_keys) self.scheduler_config = scheduler_config self.lr_g_factor = lr_g_factor self.struct_seq_to_ids = struct_seq_to_ids self.struct_ids_to_seq = struct_ids_to_seq self.aatype_to_seq = aatype_to_seq self.seq_to_aatype = seq_to_aatype self.process_chain = PdbDataset.process_chain def forward(self, batch, return_pred_indices=True, decoder_kwargs={}): pre_quant, encoder_feats = self.encode( atom_positions=batch["all_atom_positions"], mask=batch["res_mask"], seq_length=batch["seq_length"], gvp_feat=batch.get("gvp_feat", None), ) quant, loss, (_, _, struct_tokens) = self.quantize( pre_quant, mask=batch["res_mask"].bool() ) struct_feat = quant decoder_out = self.decode( quant=struct_feat, # quant, aatype=batch["aatype"], mask=batch["res_mask"], decoder_kwargs=decoder_kwargs, ) if return_pred_indices: return decoder_out, loss, struct_tokens # , hh else: return decoder_out, loss def encode(self, atom_positions, mask, seq_length=None, gvp_feat=None): if exists(gvp_feat): encoder_feats = gvp_feat else: # seq_length = seq_length.squeeze(-1) padding_mask = ~( torch.arange(mask.shape[1], device=mask.device)[None, :] < seq_length[:, None] ) encoder_feats = self.encoder( backb_positions=atom_positions, mask=mask, padding_mask=padding_mask, )["out"].detach() pre_quant = self.pre_quant(encoder_feats) # NOTE: we need to mask out missing positions # such that input feature of these position to # the quantizer will be guaranteed to be zero therefore # resulting in index == 0 pre_quant = pre_quant * mask[..., None] # [B, L, C] return pre_quant, encoder_feats def decode(self, quant, aatype, mask, decoder_kwargs={}): def _post_quant(x, mask): x = self.post_quant["mlp"](x) x = self.post_quant["transformer"](x, padding_mask=1 - mask)["out"] return x quant = _post_quant(quant, mask) decoder_out = self.decoder( emb_s=quant, emb_z=None, mask=mask, aa=aatype, esmaa=aatype, **decoder_kwargs, ) return decoder_out def quantize_and_decode( self, pre_quant, mask=None, aatype=None, decoder_kwargs={} ): if not exists(mask): mask = torch.ones( *pre_quant.shape[:2], dtype=torch.float32, device=pre_quant.device, ) aatype = torch.zeros_like(mask, dtype=torch.int64) quant, loss, (_, _, struct_tokens) = self.quantize( pre_quant, mask=mask.bool() ) decoder_out = self.decode(quant, aatype, mask, decoder_kwargs) return decoder_out, struct_tokens def get_decoder_features(self, struct_tokens, res_mask, unk_mask): # use 0 as unk/mask id struct_tokens = struct_tokens.masked_fill(unk_mask, 0) quant = self.quantize.get_codebook_entry(struct_tokens) res_mask = res_mask.float() quant = self._post_quant(quant, res_mask) _aatypes = torch.zeros_like(struct_tokens, dtype=torch.int64) decoder_out = self.decoder( emb_s=quant, emb_z=None, mask=res_mask, aa=_aatypes, esmaa=_aatypes, return_features_only=True, ) single_feats, pair_feats = decoder_out["s_s"], decoder_out["s_z"] return single_feats, pair_feats def tokenize(self, atom_positions, res_mask, seq_length=None): pre_quant, _ = self.encode( atom_positions=atom_positions, mask=res_mask, seq_length=seq_length, ) quant, loss, (_, _, struct_tokens) = self.quantize( pre_quant, mask=res_mask.bool() ) return struct_tokens def detokenize(self, struct_tokens, res_mask=None, **kwargs): if struct_tokens.ndim == 2: quant = self.quantize.get_codebook_entry(struct_tokens) elif struct_tokens.ndim == 3: quant = struct_tokens else: raise ValueError( f"Invalid struct_tokens shape: {struct_tokens.shape}" ) device = struct_tokens.device if not exists(res_mask): res_mask = torch.ones( struct_tokens.shape[:2], dtype=torch.float32, device=device ) _aatypes = torch.zeros( struct_tokens.shape[:2], dtype=torch.int64, device=device ) decoder_out = self.decode( quant=quant, aatype=_aatypes, mask=res_mask, decoder_kwargs=kwargs ) decoder_out = dict( atom37_positions=decoder_out["final_atom_positions"], atom37_mask=decoder_out["atom37_atom_exists"], aatype=decoder_out["lm_logits"].argmax(-1), residue_index=decoder_out["residue_index"], plddt=decoder_out["plddt"], ) return decoder_out def string_to_tensor(self, aatype_str, struct_token_str): device = next(self.parameters()).device aatype = torch.tensor([self.seq_to_aatype(aatype_str)], device=device) struct_tokens = torch.tensor( [self.struct_seq_to_ids(struct_token_str)], device=device ) return aatype, struct_tokens def init_data(self, raw_batch): return collate_fn(raw_batch) def output_to_pdb(self, decoder_out, output_dir, is_trajectory=False): decoder_out = { kk: vv for kk, vv in decoder_out.items() if not kk == "sm" } headers = decoder_out.pop("header") pdb_strings = self.decoder.output_to_pdb(decoder_out) if is_trajectory: header = headers[0][: headers[0].index("_t")] saveto = os.path.join(output_dir, f"{header}.pdb") with open(saveto, "w") as f: for t, pdb_string in enumerate(pdb_strings): prot = protein.from_pdb_string(pdb_string) pdb_prot = protein.to_pdb(prot, model=t + 1, add_end=False) f.write(pdb_prot) else: for header, pdb_string in zip(headers, pdb_strings): saveto = os.path.join(output_dir, f"{header}.pdb") with open(saveto, "w") as f: f.write(pdb_string) ================================================ FILE: src/byprot/models/utils.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import importlib import os from dataclasses import dataclass, field from pathlib import Path import torch import torch.nn as nn from huggingface_hub import snapshot_download from transformers import AutoConfig, AutoModelForMaskedLM, AutoTokenizer from byprot.utils import load_yaml_config try: from peft import LoraConfig, TaskType, get_peft_model from peft.peft_model import PeftModel except: pass @dataclass class NetConfig: arch_type: str = "esm" name: str = "esm2_t33_650M_UR50D" dropout: float = 0.1 pretrain: bool = False pretrained_model_name_or_path: str = "" @dataclass class LoRAConfig: enable: bool = field(default=False) lora_rank: int = field(default=16) lora_dropout: float = field(default=0.1) lora_target_module: str = field(default="") modules_to_save: str = field(default="") def get_net_class(dplm_type): from byprot.models import MODEL_REGISTRY net_class = MODEL_REGISTRY.get(dplm_type, None) if net_class is None: raise ValueError(f"Invalid architecture: {dplm_type}.") return net_class def get_net(cfg): if cfg.net.arch_type == "esm": from byprot.models.dplm.modules.dplm_modeling_esm import EsmForDPLM config = AutoConfig.from_pretrained(f"{cfg.net.name}") net = EsmForDPLM(config, dropout=cfg.net.dropout) # TODO: dplm will support more architectures, such as Llama else: raise NotImplementedError # 2-stage training (please refer to our paper for more details.) ## stage 1: pretrain a masked language model (MLM) from scratch ## stage 2: continue pretrain a diffusion language model based on the pretrained MLM if cfg.net.pretrain: pretrained_model_name_or_path = cfg.net.pretrained_model_name_or_path is_local = os.path.exists(pretrained_model_name_or_path) if is_local: # load your pretrained model from local # state_dict = torch.load(pretrained_model_name_or_path, map_location='cpu')['state_dict'] # net.load_state_dict(state_dict, strict=True) pretrained_state_dict = torch.load( pretrained_model_name_or_path, map_location="cpu" )["state_dict"] from collections import OrderedDict new_pretrained_state_dict = OrderedDict() # remove the module prefix "model.net." for k, v in pretrained_state_dict.items(): new_pretrained_state_dict[k[10:]] = v net.load_state_dict(new_pretrained_state_dict, strict=True) else: # or you can load a pretrained model from huggingface ptrn_net = AutoModelForMaskedLM.from_pretrained( pretrained_model_name_or_path ) net.load_state_dict(ptrn_net.state_dict(), strict=True) del ptrn_net # activate lora training if possible if cfg.lora.enable: # QKVO, MLP lora_target_module = cfg.lora.lora_target_module modules_to_save = cfg.lora.modules_to_save.split(",") peft_config = LoraConfig( task_type=TaskType.SEQ_2_SEQ_LM, target_modules=lora_target_module, modules_to_save=modules_to_save, inference_mode=False, r=cfg.lora.lora_rank, lora_alpha=32, lora_dropout=cfg.lora.lora_dropout, ) net = get_peft_model(net, peft_config) return net def get_net_dplm2(cfg): training_stage = getattr(cfg, "training_stage", "train_from_dplm") # dplm2 initialize from a pretrained dplm model if cfg.net.arch_type == "esm": from byprot.models.dplm2.modules.dplm2_modeling_esm import EsmForDPLM2 config = AutoConfig.from_pretrained(f"{cfg.net.name}") # training_state == "train_from_dplm" means initializing from a pretrained sequence-based DPLM, # whose vocab_size is 33 containing the standerd amino acid and special tokens # (https://huggingface.co/airkingbd/dplm_650m/blob/main/vocab.txt). if training_stage == "train_from_dplm" and cfg.net.pretrain: net = EsmForDPLM2(config, dropout=cfg.net.dropout, vocab_size=33) # training_state == "continue_train_from_dplm2" means continue training from a pretrained DPLM-2, # whose vocabulary contains amino acid and struct tokens, # and the vocab_size should be 33 + number of struct tokens and special tokens (e.g., 33 + 8192 + 4) elif ( training_stage == "continue_train_from_dplm2" or not cfg.net.pretrain ): net = EsmForDPLM2( config, dropout=cfg.net.dropout, vocab_size=getattr(cfg.tokenizer, "vocab_size", 33 + 8192 + 4), ) else: raise NotImplementedError # TODO: dplm2 will support more architectures, such as Llama else: raise NotImplementedError if cfg.net.pretrain: pretrained_model_name_or_path = cfg.net.pretrained_model_name_or_path is_local = os.path.exists(pretrained_model_name_or_path) if training_stage == "train_from_dplm": from byprot.models.dplm.dplm import DiffusionProteinLanguageModel pretrained_state_dict = ( DiffusionProteinLanguageModel.from_pretrained( pretrained_model_name_or_path ).net.state_dict() ) net.load_state_dict(pretrained_state_dict, strict=True) # expand the embedding weights # # initialize the new embedding with the mean and variance of pretrained embeddings. net.resize_token_embeddings( getattr(cfg.tokenizer, "vocab_size", 33 + 8192 + 4) ) pretrained_bias = net.lm_head.bias net.lm_head.bias = nn.Parameter( torch.zeros( getattr(cfg.tokenizer, "vocab_size", 33 + 8192 + 4) ) ) net.lm_head.bias.data[:33] = pretrained_bias.data[:33] elif training_stage == "continue_train_from_dplm2": assert is_local from byprot.models.dplm2.dplm2 import ( MultimodalDiffusionProteinLanguageModel, ) pretrained_net = ( MultimodalDiffusionProteinLanguageModel.from_pretrained( pretrained_model_name_or_path, from_huggingface=False ).net ) if issubclass(type(pretrained_net), PeftModel): pretrained_net = pretrained_net.merge_and_unload() pretrained_state_dict = pretrained_net.state_dict() net.load_state_dict(pretrained_state_dict, strict=True) else: raise ValueError(f"Invalid training stage {training_stage}.") del pretrained_state_dict # activate lora training if possible if cfg.lora.enable: # QKVO, MLP lora_target_module = cfg.lora.lora_target_module modules_to_save = cfg.lora.modules_to_save.split(",") peft_config = LoraConfig( task_type=TaskType.SEQ_2_SEQ_LM, target_modules=lora_target_module, modules_to_save=modules_to_save, inference_mode=False, r=cfg.lora.lora_rank, lora_alpha=32, lora_dropout=cfg.lora.lora_dropout, ) net = get_peft_model(net, peft_config) return net def get_net_dplm2_bit(cfg): # dplm2 initialize from a pretrained dplm model if cfg.net.arch_type == "esm": from byprot.models.dplm2.modules.dplm2_bit_modeling_esm import ( EsmForDPLM2Bit, ) config = AutoConfig.from_pretrained(f"{cfg.net.name}") net = EsmForDPLM2Bit( config, dropout=cfg.net.dropout, codebook_embed_dim=getattr(cfg.bit, "codebook_embed_dim", 13), ) # TODO: dplm2 will support more architectures, such as Llama else: raise NotImplementedError if cfg.net.pretrain: pretrained_model_name_or_path = cfg.net.pretrained_model_name_or_path from byprot.models.dplm import DiffusionProteinLanguageModel pretrained_state_dict = DiffusionProteinLanguageModel.from_pretrained( pretrained_model_name_or_path ).net.state_dict() net.load_state_dict(pretrained_state_dict, strict=False) del pretrained_state_dict # activate lora training if possible if cfg.lora.enable: # QKVO, MLP lora_target_module = cfg.lora.lora_target_module.split(",") modules_to_save = cfg.lora.modules_to_save.split(",") peft_config = LoraConfig( task_type=TaskType.SEQ_2_SEQ_LM, target_modules=lora_target_module, modules_to_save=modules_to_save, inference_mode=False, r=cfg.lora.lora_rank, lora_alpha=32, lora_dropout=cfg.lora.lora_dropout, ) net = get_peft_model(net, peft_config) return net def topk_masking(scores, cutoff_len, stochastic=False, temp=1.0): """ scores: [b, n] cutoff_len: [b, 1] stochastic: bool, whether to add noise to select top_k or not returns: mask: [b, n], with 1 if the token is in top-k lowest scores, 0 otherwise """ if stochastic: gumbel_noise = -torch.log( -torch.log(torch.rand_like(scores) + 1e-8) + 1e-8 ) _scores = scores + temp * gumbel_noise else: _scores = scores sorted_index = _scores.sort(-1)[0] cutoff = sorted_index.gather(dim=-1, index=cutoff_len) masking = _scores < cutoff return masking def topk_masking_prior( scores, cutoff_len, stochastic=False, temp=1.0, prior_mask=None ): """ scores: [b, n] cutoff_len: [b, 1] stochastic: bool, whether to add noise to select top_k or not returns: mask: [b, n], with 1 if the token is in top-k lowest scores, 0 otherwise """ if stochastic: gumbel_noise = -torch.log( -torch.log(torch.rand_like(scores) + 1e-8) + 1e-8 ) _scores = scores + temp * gumbel_noise else: _scores = scores sorted_index = _scores.sort(-1)[0] cutoff = sorted_index.gather( dim=-1, index=cutoff_len ) # + torch.tensor(1e-10) # cutoff_len = k -> select k + 1 tokens masking = _scores < cutoff return masking def mask_fill_811(inputs, masked_indices, mask_id): prev_tokens = inputs.clone() # 80% of the time, we replace masked input tokens with tokenizer.mask_token ([MASK]) indices_replaced = ( torch.bernoulli(torch.full_like(prev_tokens.float(), 0.8)).bool() & masked_indices ) prev_tokens[indices_replaced] = mask_id # 10% of the time, we replace masked input tokens with random word indices_random = ( torch.bernoulli(torch.full_like(prev_tokens.float(), 0.5)).bool() & masked_indices & ~indices_replaced ) random_words = torch.randint(4, 24, prev_tokens.shape).type_as(prev_tokens) prev_tokens[indices_random] = random_words[indices_random] return prev_tokens def sample_from_categorical(logits=None, temperature=1.0): if temperature: dist = torch.distributions.Categorical(logits=logits.div(temperature)) tokens = dist.sample() scores = dist.log_prob(tokens) else: scores, tokens = logits.log_softmax(dim=-1).max(dim=-1) return tokens, scores def stochastic_sample_from_categorical( logits=None, temperature=1.0, noise_scale=1.0 ): gumbel_noise = -torch.log( -torch.log(torch.rand_like(logits) + 1e-8) + 1e-8 ) logits = logits + noise_scale * gumbel_noise tokens, scores = sample_from_categorical(logits, temperature) # scores, tokens = logits.log_softmax(dim=-1).max(dim=-1) return tokens, scores def top_k_top_p_filtering( logits, top_k=0, top_p=0.95, filter_value=-float("Inf") ): """Filter a distribution of logits using top-k and/or nucleus (top-p) filtering Args: logits: logits distribution shape (vocabulary size) top_k >0: keep only top k tokens with highest probability (top-k filtering). top_p >0.0: keep the top tokens with cumulative probability >= top_p (nucleus filtering). Nucleus filtering is described in Holtzman et al. (http://arxiv.org/abs/1904.09751) Basic outline taken from https://gist.github.com/thomwolf/1a5a29f6962089e871b94cbd09daf317 """ ori_shape = logits.shape logits = logits.reshape(-1, ori_shape[-1]) assert logits.dim() == 2 # [BATCH_SIZE, VOCAB_SIZE] top_k = min(top_k, logits.size(-1)) # Safety check if top_k > 0: # Remove all tokens with a probability less than the last token of the top-k indices_to_remove = ( logits < torch.topk(logits, top_k, dim=1)[0][..., -1, None] ) logits[indices_to_remove] = filter_value sorted_logits, sorted_indices = torch.sort(logits, descending=True) cumulative_probs = torch.cumsum( torch.softmax(sorted_logits, dim=-1), dim=-1 ) # Remove tokens with cumulative probability above the threshold sorted_indices_to_remove = cumulative_probs > top_p # Shift the indices to the right to keep also the first token above the threshold sorted_indices_to_remove[..., 1:] = sorted_indices_to_remove[ ..., :-1 ].clone() sorted_indices_to_remove[..., 0] = 0 # Replace logits to be removed with -inf in the sorted_logits sorted_logits[sorted_indices_to_remove] = filter_value # Then reverse the sorting process by mapping back sorted_logits to their original position logits = torch.gather(sorted_logits, 1, sorted_indices.argsort(-1)) logits = logits.reshape(ori_shape) return logits def get_struct_tokenizer( model_name_or_path="airkingbd/struct_tokenizer", eval_mode=True ): from byprot.models.structok.structok_lfq import VQModel if os.path.exists(model_name_or_path): root_path = f"{model_name_or_path}/.hydra" else: root_path = Path(snapshot_download(repo_id=model_name_or_path)) cfg = load_yaml_config(f"{root_path}/config.yaml") stok = VQModel(**cfg) pretrained_state_dict = torch.load( f"{root_path}/dplm2_struct_tokenizer.ckpt", map_location=torch.device("cpu"), ) missing, unexpected = stok.load_state_dict( pretrained_state_dict, strict=False ) print( f'Restored from "{model_name_or_path}" with {len(missing)} missing and {len(unexpected)} unexpected keys' ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") stok = stok.requires_grad_(False) return stok.train(not eval_mode) ================================================ FILE: src/byprot/modules/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import torch from torch import nn from torch.nn import functional as F _registry = {} class _Criterion(nn.Module): def __init__(self, cfg) -> None: super().__init__() self.cfg = cfg self.criterions = {} self.weights = {} self._build() def _build(self): for name, cfg in self.cfg.items(): _target_ = cfg.pop("_target_") weight = cfg.pop("weight", 1.0) self.criterions[name] = _instantiate( _target_, cfg=cfg, registry=_registry ) self.weights[name] = weight def forward(self, model_outs, targets): """ Args: model_outs (dict): dict of loss_name: model_out targets (_type_): _description_ """ logging_outs = {} total_loss = 0.0 for name, model_out in model_outs.items(): if name in self.criterions: loss, logging_out = self.criterions[name]( model_out, targets[name] ) total_loss += self.weights[name] * loss logging_out = { f"{name}/{key}": val for key, val in logging_out.items() } logging_outs.update(logging_out) return total_loss, logging_outs ================================================ FILE: src/byprot/modules/cross_entropy.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import torch from torch import Tensor, nn from torch.nn import functional as F def label_smoothed_nll_loss( lprobs, target, epsilon, ignore_index=None, reduce=True ): flag = False if target.dim() == lprobs.dim() - 1: flag = True target = target.unsqueeze(-1) nll_loss = -lprobs.gather(dim=-1, index=target) smooth_loss = -lprobs.sum(dim=-1, keepdim=True) if ignore_index is not None: pad_mask = target.eq(ignore_index) nll_loss.masked_fill_(pad_mask, 0.0) smooth_loss.masked_fill_(pad_mask, 0.0) if flag: nll_loss = nll_loss.squeeze(-1) smooth_loss = smooth_loss.squeeze(-1) if reduce: nll_loss = nll_loss.sum() smooth_loss = smooth_loss.sum() eps_i = epsilon / (lprobs.size(-1) - 1) loss = (1.0 - epsilon - eps_i) * nll_loss + eps_i * smooth_loss return loss, nll_loss class CrossEntropyLoss(nn.CrossEntropyLoss): def forward(self, scores: Tensor, target: Tensor, mask=None) -> Tensor: """ scores: [N, ..., C], unnormalized scores target: [N, ...] mask: [N, ...], where elements with `True` are allowed and `False` are masked-out """ n_tokens = target.numel() n_nonpad_tokens = target.ne(self.ignore_index).long().sum() bsz, num_classes = scores.shape[0], scores.shape[-1] if mask is not None: scores = scores[mask] # [N * len, C] target = target[mask] # [N] scores = scores.reshape(-1, num_classes) target = target.reshape(-1) if self.ignore_index is not None: sample_size = target.ne(self.ignore_index).long().sum() else: sample_size = torch.tensor(target.numel(), device=target.device) # smooth_loss = F.cross_entropy( # scores.transpose(1, -1), target, # weight=self.weight, # ignore_index=self.ignore_index, reduction=self.reduction, # label_smoothing=self.label_smoothing) loss, nll_loss = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=True, ) loss_avg = loss / sample_size ppl = torch.exp(nll_loss / sample_size) logging_output = { "nll_loss_sum": nll_loss.data, "loss_sum": loss.data, "ppl": ppl.data, "bsz": bsz, "sample_size": sample_size, "sample_ratio": sample_size / n_tokens, "nonpad_ratio": n_nonpad_tokens / n_tokens, } return loss_avg, logging_output class Coord2SeqCrossEntropyLoss(nn.CrossEntropyLoss): def forward( self, scores: Tensor, target: Tensor, label_mask=None, coord_mask=None, weights=None, ) -> Tensor: """ scores: [N, L, C], unnormalized scores target: [N, L] coord_mask: FloatTensor [N, L], where elements with `True` are allowed and `False` are masked-out """ if label_mask is None: label_mask = coord_mask bsz, num_classes = scores.shape[0], scores.shape[-1] n_tokens = target.numel() if self.ignore_index is not None: sample_size = n_nonpad_tokens = ( target.ne(self.ignore_index).float().sum() ) else: sample_size = n_nonpad_tokens = n_tokens # [N, L] loss, nll_loss = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=False, ) if weights is not None: loss, nll_loss = loss * weights, nll_loss * weights fullseq_loss = loss.sum() / sample_size fullseq_nll_loss = nll_loss.sum() / sample_size # use coord masked loss for model training, # ignoring those position with missing coords (as nan) if label_mask is not None: label_mask = label_mask.float() sample_size = ( label_mask.sum() ) # sample size should be set to valid coordinates loss = (loss * label_mask).sum() / sample_size nll_loss = (nll_loss * label_mask).sum() / sample_size else: loss, nll_loss = fullseq_loss, fullseq_nll_loss # nll_loss = nll_loss[label_mask] # calculate pesudo-ppl ppl = torch.exp(nll_loss) logging_output = { "nll_loss": nll_loss.data, "ppl": ppl.data, # torch.mean(ppl).data, "fullseq_loss": fullseq_loss.data, "fullseq_nll_loss": fullseq_nll_loss.data, "bsz": bsz, "sample_size": sample_size, "sample_ratio": sample_size / n_tokens, "nonpad_ratio": n_nonpad_tokens / n_tokens, } return loss, logging_output class RDMCrossEntropyLoss(nn.CrossEntropyLoss): def forward( self, scores: Tensor, target: Tensor, label_mask=None, weights=None, cal_constant_loss=False, watch_t1_t2_loss=False, ) -> Tensor: """ scores: [N, L, C], unnormalized scores target: [N, L] coord_mask: FloatTensor [N, L], where elements with `True` are allowed and `False` are masked-out """ bsz, num_classes = scores.shape[0], scores.shape[-1] n_tokens = target.numel() if self.ignore_index is not None: sample_size = n_nonpad_tokens = ( target.ne(self.ignore_index).float().sum() ) else: sample_size = n_nonpad_tokens = n_tokens # [N, L] loss, nll_loss = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=False, ) if weights is not None: loss, nll_loss = loss * weights, nll_loss * weights fullseq_loss = loss.sum() / sample_size fullseq_nll_loss = nll_loss.sum() / sample_size t1_loss, t2_loss = None, None if watch_t1_t2_loss: t1_loss, t2_loss = loss.chunk(2) t1_mask, t2_mask = label_mask.chunk(2) t1_loss = (t1_loss * t1_mask).sum() / (t1_mask.sum()) t2_loss = (t2_loss * t2_mask).sum() / (t2_mask.sum()) # use coord masked loss for model training, # ignoring those position with missing coords (as nan) if label_mask is not None: label_mask = label_mask.float() sample_size = ( label_mask.sum() ) # sample size should be set to valid coordinates loss = (loss * label_mask).sum() / sample_size nll_loss = (nll_loss * label_mask).sum() / sample_size else: loss, nll_loss = fullseq_loss, fullseq_nll_loss ppl = torch.exp(nll_loss) logging_output = { "nll_loss": nll_loss.data, "ppl": ppl.data, "fullseq_loss": fullseq_loss.data, "fullseq_nll_loss": fullseq_nll_loss.data, "bsz": bsz, "sample_size": sample_size, "sample_ratio": sample_size / n_tokens, "nonpad_ratio": n_nonpad_tokens / n_tokens, "weight_diff_loss": loss.data, } if cal_constant_loss: constant_weights = weights.new_ones(size=weights.size()) constant_loss, _ = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=False, ) constant_loss = constant_loss * constant_weights constant_loss = (constant_loss * label_mask).sum() / sample_size logging_output["constant_diff_loss"] = constant_loss.data if watch_t1_t2_loss: logging_output["weight_diff_t1_loss"] = t1_loss.data logging_output["weight_diff_t2_loss"] = t2_loss.data return loss, logging_output class StructAARDMCrossEntropyLoss(nn.CrossEntropyLoss): def forward( self, scores_dict, target_dict, label_mask_dict=None, weights_dict=None, cal_constant_loss=False, watch_t1_t2_loss=False, ) -> Tensor: """ scores: [N, L, C], unnormalized scores target: [N, L] coord_mask: FloatTensor [N, L], where elements with `True` are allowed and `False` are masked-out """ losses = 0 nll_losses = 0 logging_output_dict = {} def compute(scores, target, label_mask, weights, key=""): if len(key) > 0: key = f"{key}/" bsz, num_classes = scores.shape[0], scores.shape[-1] n_tokens = target.numel() if self.ignore_index is not None: sample_size = n_nonpad_tokens = ( target.ne(self.ignore_index).float().sum() ) else: sample_size = n_nonpad_tokens = n_tokens # [N, L] loss, nll_loss = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=False, ) if weights is not None: loss, nll_loss = loss * weights, nll_loss * weights fullseq_loss = loss.sum() / sample_size fullseq_nll_loss = nll_loss.sum() / sample_size t1_loss, t2_loss = None, None if watch_t1_t2_loss: t1_loss, t2_loss = loss.chunk(2) t1_mask, t2_mask = label_mask.chunk(2) t1_loss = (t1_loss * t1_mask).sum() / (t1_mask.sum()) t2_loss = (t2_loss * t2_mask).sum() / (t2_mask.sum()) # use coord masked loss for model training, # ignoring those position with missing coords (as nan) if label_mask is not None: label_mask = label_mask.float() sample_size = max(1, label_mask.sum()) if len(label_mask.shape) == (len(loss.shape) - 1): # if bit-based modeling, # the loss is in B x L x 13 and label_mask is in B x L label_mask = label_mask[..., None].expand(loss.shape) loss = (loss * label_mask).sum() / sample_size nll_loss = (nll_loss * label_mask).sum() / sample_size else: loss, nll_loss = fullseq_loss, fullseq_nll_loss ppl = torch.exp(nll_loss) logging_output = { f"{key}nll_loss": nll_loss.data, f"{key}ppl": ppl.data, f"{key}fullseq_loss": fullseq_loss.data, f"{key}fullseq_nll_loss": fullseq_nll_loss.data, f"{key}bsz": bsz, f"{key}sample_size": sample_size, f"{key}sample_ratio": sample_size / n_tokens, f"{key}nonpad_ratio": n_nonpad_tokens / n_tokens, f"{key}weight_diff_loss": loss.data, } if cal_constant_loss: constant_weights = weights.new_ones(size=weights.size()) constant_loss, _ = label_smoothed_nll_loss( lprobs=F.log_softmax(scores, dim=-1), target=target, epsilon=self.label_smoothing, ignore_index=self.ignore_index, reduce=False, ) constant_loss = constant_loss * constant_weights constant_loss = ( constant_loss * label_mask ).sum() / sample_size logging_output[f"{key}constant_diff_loss"] = constant_loss.data if watch_t1_t2_loss: logging_output[f"{key}weight_diff_t1_loss"] = t1_loss.data logging_output[f"{key}weight_diff_t2_loss"] = t2_loss.data return loss, nll_loss, logging_output if type(scores_dict) is not dict: loss, nll_loss, logging_output = compute( scores_dict, target_dict, label_mask_dict, weights_dict ) return loss, logging_output else: for k, scores in scores_dict.items(): loss, nll_loss, logging_output = compute( scores, target_dict[k], label_mask_dict[k], weights_dict[k], k, ) losses += loss nll_losses += nll_loss logging_output_dict.update(logging_output) logging_output_dict["sample_size"] = logging_output[ f"{k}/sample_size" ] logging_output_dict["nll_loss"] = nll_losses / len( scores_dict.keys() ) logging_output_dict["fullseq_loss"] = logging_output[ f"{k}/fullseq_loss" ] logging_output_dict["fullseq_nll_loss"] = logging_output[ f"{k}/fullseq_nll_loss" ] logging_output_dict["ppl"] = logging_output[f"{k}/ppl"] return losses / len(scores_dict.keys()), logging_output_dict ================================================ FILE: src/byprot/modules/metrics.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import math from functools import partial import numpy as np import torch import torch.nn.functional as F def luost_rmsd(res_list1: list, res_list2: list): res_short, res_long = ( (res_list1, res_list1) if len(res_list1) < len(res_list2) else (res_list2, res_list1) ) M, N = len(res_short), len(res_long) def d(i, j): coord_i = res_short[i] coord_j = res_long[j] return ((coord_i - coord_j) ** 2).sum() SD = np.full([M, N], np.inf) for i in range(M): j = N - (M - i) SD[i, j] = sum([d(i + k, j + k) for k in range(N - j)]) for j in range(N): SD[M - 1, j] = d(M - 1, j) for i in range(M - 2, -1, -1): for j in range((N - (M - i)) - 1, -1, -1): SD[i, j] = min(d(i, j) + SD[i + 1, j + 1], SD[i, j + 1]) min_SD = SD[0, : N - M + 1].min() best_RMSD = np.sqrt(min_SD / M) return best_RMSD def rmsd(pred, target, mask=None): assert pred.shape == target.shape if mask is None: mask = torch.ones_like(pred, dtype=torch.bool) rmsd = [] for p, t, m in zip(pred, target, mask): rmsd.append(luost_rmsd(p[m], t[m])) return np.mean(rmsd) def accuracy(pred, target, mask=None, reduction="all"): assert pred.shape == target.shape if mask is None: mask = torch.ones_like(pred, dtype=torch.bool) return (pred[mask] == target[mask]).sum() / mask.sum() def accuracy_per_sample(pred, target, mask=None): assert pred.shape == target.shape bsz = target.shape[0] if mask is None: mask = torch.ones_like(pred, dtype=torch.bool) pred = pred.view(bsz, -1) target = target.view(bsz, -1) mask = mask.view(bsz, -1) return ((pred == target) * mask).sum(1) / mask.sum(1) ================================================ FILE: src/byprot/modules/protein_metrics.py ================================================ # Copyright (c) 2022 Jason Yim, Brian L Trippe, Valentin De Bortoli, Emile Mathieu # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on Jul 21, 2024 # # Original file was released under MIT, with the full license text # available at https://github.com/jasonkyuyim/se3_diffusion/blob/master/LICENSE # # This modified file is released under the same license. """Metrics.""" import mdtraj as md import numpy as np # from openfold.np.relax import amber_minimize import tree # from analysis import utils as au # from data import utils as du from openfold.np import residue_constants from tmtools import tm_align CA_IDX = residue_constants.atom_order["CA"] INTER_VIOLATION_METRICS = [ "bonds_c_n_loss_mean", "angles_ca_c_n_loss_mean", "clashes_mean_loss", ] SHAPE_METRICS = [ "coil_percent", "helix_percent", "strand_percent", "radius_of_gyration", ] CA_VIOLATION_METRICS = [ "ca_ca_bond_dev", "ca_ca_valid_percent", "ca_steric_clash_percent", "num_ca_steric_clashes", ] EVAL_METRICS = [ "tm_score", ] ALL_METRICS = ( INTER_VIOLATION_METRICS + SHAPE_METRICS + CA_VIOLATION_METRICS + EVAL_METRICS ) def calc_tm_score(pos_1, pos_2, seq_1, seq_2, mask): # nan_mask = np.isnan(pos_1) pos_1 = pos_1[mask] pos_2 = pos_2[mask] seq_1 = seq_1[: pos_1.shape[0]] seq_2 = seq_2[: pos_1.shape[0]] tm_results = tm_align(np.float64(pos_1), np.float64(pos_2), seq_1, seq_2) return tm_results.tm_norm_chain1, tm_results.tm_norm_chain2 def calc_perplexity(pred, labels, mask): one_hot_labels = np.eye(pred.shape[-1])[labels] true_probs = np.sum(pred * one_hot_labels, axis=-1) ce = -np.log(true_probs + 1e-5) per_res_perplexity = np.exp(ce) return np.sum(per_res_perplexity * mask) / np.sum(mask) def calc_mdtraj_metrics(pdb_path): traj = md.load(pdb_path) pdb_ss = md.compute_dssp(traj, simplified=True) pdb_coil_percent = np.mean(pdb_ss == "C") pdb_helix_percent = np.mean(pdb_ss == "H") pdb_strand_percent = np.mean(pdb_ss == "E") pdb_ss_percent = pdb_helix_percent + pdb_strand_percent pdb_rg = md.compute_rg(traj)[0] return { "non_coil_percent": pdb_ss_percent, "coil_percent": pdb_coil_percent, "helix_percent": pdb_helix_percent, "strand_percent": pdb_strand_percent, "radius_of_gyration": pdb_rg, } def rigid_transform_3D(A, B, verbose=False): # Transforms A to look like B # https://github.com/nghiaho12/rigid_transform_3D assert A.shape == B.shape A = A.T B = B.T num_rows, num_cols = A.shape if num_rows != 3: raise Exception(f"matrix A is not 3xN, it is {num_rows}x{num_cols}") num_rows, num_cols = B.shape if num_rows != 3: raise Exception(f"matrix B is not 3xN, it is {num_rows}x{num_cols}") # find mean column wise centroid_A = np.mean(A, axis=1) centroid_B = np.mean(B, axis=1) # ensure centroids are 3x1 centroid_A = centroid_A.reshape(-1, 1) centroid_B = centroid_B.reshape(-1, 1) # subtract mean Am = A - centroid_A Bm = B - centroid_B H = Am @ np.transpose(Bm) # sanity check # if linalg.matrix_rank(H) < 3: # raise ValueError("rank of H = {}, expecting 3".format(linalg.matrix_rank(H))) # find rotation U, S, Vt = np.linalg.svd(H) R = Vt.T @ U.T # special reflection case reflection_detected = False if np.linalg.det(R) < 0: if verbose: print("det(R) < R, reflection detected!, correcting for it ...") Vt[2, :] *= -1 R = Vt.T @ U.T reflection_detected = True t = -R @ centroid_A + centroid_B optimal_A = R @ A + t return optimal_A.T, R, t, reflection_detected def calc_aligned_rmsd(pos_1, pos_2): nan_mask = np.isnan(pos_1) pos_1 = pos_1[~nan_mask].reshape(-1, 3) pos_2 = pos_2[~nan_mask].reshape(-1, 3) aligned_pos_1 = rigid_transform_3D(np.float64(pos_1), np.float64(pos_2))[0] return np.mean(np.linalg.norm(aligned_pos_1 - pos_2, axis=-1)) def protein_metrics( *, pdb_path, atom37_pos, gt_atom37_pos, gt_aatype, diffuse_mask, ): # SS percentage mdtraj_metrics = calc_mdtraj_metrics(pdb_path) atom37_mask = np.any(atom37_pos, axis=-1) atom37_diffuse_mask = diffuse_mask[..., None] * atom37_mask prot = au.create_full_prot(atom37_pos, atom37_diffuse_mask) violation_metrics = amber_minimize.get_violation_metrics(prot) struct_violations = violation_metrics["structural_violations"] inter_violations = struct_violations["between_residues"] # Geometry bb_mask = np.any(atom37_mask, axis=-1) ca_pos = atom37_pos[..., CA_IDX, :][bb_mask.astype(bool)] ca_ca_bond_dev, ca_ca_valid_percent = ca_ca_distance(ca_pos) num_ca_steric_clashes, ca_steric_clash_percent = ca_ca_clashes(ca_pos) # Eval bb_diffuse_mask = (diffuse_mask * bb_mask).astype(bool) unpad_gt_scaffold_pos = gt_atom37_pos[..., CA_IDX, :][bb_diffuse_mask] unpad_pred_scaffold_pos = atom37_pos[..., CA_IDX, :][bb_diffuse_mask] seq = du.aatype_to_seq(gt_aatype[bb_diffuse_mask]) _, tm_score = calc_tm_score( unpad_pred_scaffold_pos, unpad_gt_scaffold_pos, seq, seq ) metrics_dict = { "ca_ca_bond_dev": ca_ca_bond_dev, "ca_ca_valid_percent": ca_ca_valid_percent, "ca_steric_clash_percent": ca_steric_clash_percent, "num_ca_steric_clashes": num_ca_steric_clashes, "tm_score": tm_score, **mdtraj_metrics, } for k in INTER_VIOLATION_METRICS: metrics_dict[k] = inter_violations[k] metrics_dict = tree.map_structure( lambda x: np.mean(x).item(), metrics_dict ) return metrics_dict def ca_ca_distance(ca_pos, tol=0.1): ca_bond_dists = np.linalg.norm( ca_pos - np.roll(ca_pos, 1, axis=0), axis=-1 )[1:] ca_ca_dev = np.mean(np.abs(ca_bond_dists - residue_constants.ca_ca)) ca_ca_valid = np.mean(ca_bond_dists < (residue_constants.ca_ca + tol)) return ca_ca_dev, ca_ca_valid def ca_ca_clashes(ca_pos, tol=1.5): ca_ca_dists2d = np.linalg.norm( ca_pos[:, None, :] - ca_pos[None, :, :], axis=-1 ) inter_dists = ca_ca_dists2d[np.where(np.triu(ca_ca_dists2d, k=0) > 0)] clashes = inter_dists < tol return np.sum(clashes), np.mean(clashes) ================================================ FILE: src/byprot/tasks/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import copy import glob import importlib import os from contextlib import contextmanager from typing import Any, Callable, Dict, List, Mapping, Optional, Union import numpy as np import torch from omegaconf import DictConfig from pytorch_lightning import LightningModule from pytorch_lightning.utilities.types import _METRIC from torch import distributed as dist from torch import nn from torch.nn import functional as F from torchmetrics import MaxMetric, MeanMetric, Metric, MinMetric, SumMetric from torchmetrics.text.bleu import BLEUScore as BLEU from byprot import utils from byprot.utils.lr_scheduler import get_scheduler from byprot.utils.optim import get_optimizer log = utils.get_logger(__name__) _METRIC_COLLECTION = Union[_METRIC, Mapping[str, _METRIC]] @contextmanager def on_prediction_mode(pl_module: LightningModule, enable=True): if not enable: yield return _methods = [ "{}_step", "{}_step_end", "on_{}_epoch_end", # 'on_{}_batch_start', # 'on_{}_batch_end', # 'on_{}_epoch_start', # 'on_{}_epoch_end', # 'on_{}_start', # 'on_{}_end', ] for _method in _methods: _test_method, _predict_method = _method.format("test"), _method.format( "predict" ) _test_method_obj = getattr(pl_module, _test_method, None) _predict_method_obj = getattr(pl_module, _predict_method, None) # swap test and predict method/hook setattr(pl_module, _test_method, _predict_method_obj) setattr(pl_module, _predict_method, _test_method_obj) yield for _method in _methods: _test_method, _predict_method = _method.format("test"), _method.format( "predict" ) _test_method_obj = getattr(pl_module, _test_method, None) _predict_method_obj = getattr(pl_module, _predict_method, None) # swap test and predict method/hook setattr(pl_module, _test_method, _predict_method_obj) setattr(pl_module, _predict_method, _test_method_obj) class TaskLitModule(LightningModule): """Example of LightningModule for sequence-to-sequence learning. A LightningModule organizes your PyTorch code into 5 sections: - Computations (init). - Train loop (training_step) - Validation loop (validation_step) - Test loop (test_step) - Optimizers (configure_optimizers) Read the docs: https://pytorch-lightning.readthedocs.io/en/latest/common/lightning_module.html """ def __init__( self, model: List[nn.Module], criterion: nn.Module = None, optimizer: Union[Callable, torch.optim.Optimizer] = None, lr_scheduler: Union[ Callable, torch.optim.lr_scheduler._LRScheduler ] = None, ): super().__init__() self.save_hyperparameters(logger=True) # model # self.model = model # loss function self.criterion = criterion # use separate metric instance for train, val and test step # to ensure a proper reduction over the epoch # self.eval_loss_sum = SumMetric() # self.eval_nll_sum = SumMetric() # self.eval_sample_size = SumMetric() # self.bleu = BLEU(n_gram=4, ) # for logging best so far validation accuracy # self.val_ppl_best = MinMetric() # self.bleu_best = MaxMetric() # self.metrics = AutoMetric() self.valid_logged = {} def setup(self, stage=None) -> None: self._stage = stage super().setup(stage) @property def lrate(self): for param_group in self.trainer.optimizers[0].param_groups: return param_group["lr"] @property def stage(self): return self._stage def log( self, name: str, value: _METRIC_COLLECTION, prog_bar: bool = False, logger: bool = True, on_step: Optional[bool] = None, on_epoch: Optional[bool] = None, **kwargs, ) -> None: if on_epoch and not self.training: self.valid_logged[name] = value return super().log( name, value, prog_bar, logger, on_step, on_epoch, **kwargs ) # -------# Training #-------- # def step(self, batch): raise NotImplementedError def training_step(self, batch: Any, batch_idx: int, **kwargs): raise NotImplementedError def training_step_end( self, step_output: Union[torch.Tensor, Dict[str, Any]] ) -> Union[torch.Tensor, Dict[str, Any]]: return super().training_step_end(step_output) # def training_epoch_end(self, outputs: List[Any]): # pass # def on_train_epoch_end(self): # pass # -------# Evaluating #-------- # def validation_step(self, batch: Any, batch_idx: int): raise NotImplementedError def validation_step_end( self, *args, **kwargs ) -> Optional[Union[torch.Tensor, Dict[str, Any]]]: return super().validation_step_end(*args, **kwargs) # def validation_epoch_end(self, outputs: List[Any]): # logging_info = ", ".join(f"{key}={val:.3f}" for key, val in self.valid_logged.items()) # logging_info = f"Validation Info @ (Epoch {self.current_epoch}, global step {self.global_step}): {logging_info}" # log.info(logging_info) def on_validation_epoch_end(self): logging_info = ", ".join( f"{key}={val:.3f}" for key, val in self.valid_logged.items() ) logging_info = f"Validation Info @ (Epoch {self.current_epoch}, global step {self.global_step}): {logging_info}" log.info(logging_info) def test_step(self, batch: Any, batch_idx: int): return self.validation_step(batch, batch_idx) def test_step_end( self, *args, **kwargs ) -> Optional[Union[torch.Tensor, Dict[str, Any]]]: return self.validation_step_end(*args, **kwargs) # def test_epoch_end(self, outputs: List[Any]): # return self.validation_epoch_end(outputs) def on_test_epoch_end(self): return self.on_validation_epoch_end() # -------# Inference/Prediction #-------- # def forward(self, batch): raise NotImplementedError def predict_step( self, batch: Any, batch_idx: int, dataloader_idx: int = 0 ) -> Any: raise NotImplementedError def predict_epoch_end(self, results: List[Any], log_pref=None) -> None: raise NotImplementedError # -------# Optimizers & Lr Schedulers #-------- # def configure_optimizers(self): """Choose what optimizers and learning-rate schedulers to use in your optimization. Normally you'd need one. But in the case of GANs or similar you might have multiple. See examples here: https://pytorch-lightning.readthedocs.io/en/latest/common/lightning_module.html#configure-optimizers """ optimizer = get_optimizer( self.hparams.optimizer, self.trainer.model.parameters() ) if ( "lr_scheduler" in self.hparams and self.hparams.lr_scheduler is not None ): lr_scheduler, extra_kwargs = get_scheduler( self.hparams.lr_scheduler, optimizer ) return { "optimizer": optimizer, "lr_scheduler": {"scheduler": lr_scheduler, **extra_kwargs}, } return optimizer # -------# Others #-------- # def on_train_epoch_end(self) -> None: if dist.is_initialized() and hasattr( self.trainer.datamodule, "train_batch_sampler" ): self.trainer.datamodule.train_batch_sampler.set_epoch( self.current_epoch + 1 ) self.trainer.datamodule.train_batch_sampler._build_batches() # def on_epoch_end(self): # pass class AutoMetric(nn.Module): _type_shortnames = dict( mean=MeanMetric, sum=SumMetric, max=MaxMetric, min=MinMetric, ) def __init__(self) -> None: super().__init__() self.register_parameter("_device", torch.zeros(1)) @property def device(self): return self._device.device def update(self, name, value, type="mean", **kwds): if not hasattr(self, name): if isinstance(type, str): type = self._type_shortnames[type] setattr(self, name, type(**kwds)) getattr(self, name).to(self.device) getattr(self, name).update(value) def compute(self, name): return getattr(self, name).compute() def reset(self, name): getattr(self, name).reset() TASK_REGISTRY = {} def register_task(name): def decorator(cls): cls._name_ = name TASK_REGISTRY[name] = cls return cls return decorator # automatically import any Python files in the models/ directory utils.import_modules(os.path.dirname(__file__), "byprot.tasks") ================================================ FILE: src/byprot/tasks/lm/dplm.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from typing import Any, Union import torch from lightning.pytorch.utilities import grad_norm from omegaconf import DictConfig from torch import nn from torch.nn import functional as F from torchmetrics import CatMetric, MaxMetric, MeanMetric, MinMetric, SumMetric from byprot import utils from byprot.tasks import TaskLitModule, register_task from byprot.utils.config import compose_config as Cfg log = utils.get_logger(__name__) def new_arange(x, *size): """Return a Tensor of `size` filled with a range function on the device of x. If size is empty, using the size of the variable x. """ if len(size) == 0: size = x.size() return torch.arange(size[-1], device=x.device).expand(*size).contiguous() @register_task("lm/dplm") class DPLMTrainingTask(TaskLitModule): _DEFAULT_CFG: DictConfig = Cfg( learning=Cfg( noise="rdm", # ['full_mask', 'random_mask'] num_unroll=0, watch_t1_t2_loss=False, cal_constant_loss=False, weight="constant", ), ) def __init__( self, model: Union[nn.Module, DictConfig], criterion: Union[nn.Module, DictConfig], optimizer: DictConfig, lr_scheduler: DictConfig = None, *, learning=_DEFAULT_CFG.learning, ): super().__init__(model, criterion, optimizer, lr_scheduler) # this line allows to access init params with 'self.hparams' attribute # it also ensures init params will be stored in ckpt # self.save_hyperparameters(ignore=['model', 'criterion'], logger=False) self.save_hyperparameters(logger=True) self.build_model() self.tokenizer = self.model.tokenizer # self.model = None # self.build_generator() def setup(self, stage=None) -> None: super().setup(stage) self.build_criterion() self.build_torchmetric() if self.stage == "fit": log.info(f"\n{self.model}") elif self.stage == "test": self.test_step_outputs = [] def on_before_optimizer_step(self, optimizer): if self.global_rank == 0: grad_norm_dict = grad_norm( self.trainer.strategy.model, norm_type=2 ) self.log_dict(grad_norm_dict) def build_model(self): log.info(f"Instantiating neural model <{self.hparams.model._target_}>") self.model = utils.instantiate_from_config( cfg=self.hparams.model, group="model" ) def build_criterion(self): self.criterion = utils.instantiate_from_config( cfg=self.hparams.criterion ) self.criterion.ignore_index = self.tokenizer.pad_token_id def build_torchmetric(self): self.eval_loss = MeanMetric() self.eval_nll_loss = MeanMetric() self.val_ppl_best = MinMetric() def step(self, batch): """batch is a Dict containing: - corrds: FloatTensor [bsz, len, n_atoms, 3], coordinates of proteins - corrd_mask: BooltTensor [bsz, len], where valid coordinates are set True, otherwise False - lengths: int [bsz, len], protein sequence lengths - tokens: LongTensor [bsz, len], sequence of amino acids """ weighting = self.hparams.learning.weight logits, target, loss_mask, weights = self.model.compute_loss( batch, weighting=weighting ) loss, logging_output = self.criterion( logits, target, loss_mask, weights, watch_t1_t2_loss=self.hparams.learning.watch_t1_t2_loss, cal_constant_loss=self.hparams.learning.cal_constant_loss, ) if torch.isnan(loss): print("Loss NAN on step ", self.global_step) loss = loss * 0 logging_output["nll_loss"] = logging_output["nll_loss"] * 0 logging_output["fullseq_loss"] = logging_output["fullseq_loss"] * 0 logging_output["fullseq_nll_loss"] = ( logging_output["fullseq_nll_loss"] * 0 ) logging_output["ppl"] = logging_output["ppl"] * 0 return loss, logging_output def training_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log train metrics self.log( "global_step", self.global_step, on_step=True, on_epoch=False, prog_bar=True, ) self.log("lr", self.lrate, on_step=True, on_epoch=False, prog_bar=True) for log_key in logging_output: log_value = logging_output[log_key] self.log( f"train/{log_key}", log_value, on_step=True, on_epoch=False, prog_bar=True, ) return {"loss": loss} # -------# Evaluating #-------- # def on_test_epoch_start(self) -> None: self.hparams.noise = "full_mask" def validation_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log other metrics sample_size = logging_output["sample_size"] self.eval_loss.update(loss, weight=sample_size) self.eval_nll_loss.update( logging_output["nll_loss"], weight=sample_size ) return {"loss": loss} def on_validation_epoch_end(self): log_key = "test" if self.stage == "test" else "val" # compute metrics averaged over the whole dataset eval_loss = self.eval_loss.compute() self.eval_loss.reset() eval_nll_loss = self.eval_nll_loss.compute() self.eval_nll_loss.reset() eval_ppl = torch.exp(eval_nll_loss) self.log( f"{log_key}/loss", eval_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/nll_loss", eval_nll_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/ppl", eval_ppl, on_step=False, on_epoch=True, prog_bar=True, ) if self.stage == "fit": self.val_ppl_best.update(eval_ppl) self.log( "val/ppl_best", self.val_ppl_best.compute(), on_epoch=True, prog_bar=True, ) super().on_validation_epoch_end() ================================================ FILE: src/byprot/tasks/lm/dplm2.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from typing import Any, Callable, List, Union import torch from lightning.pytorch.utilities import grad_norm from omegaconf import DictConfig from torch import nn from torch.nn import functional as F from torchmetrics import CatMetric, MaxMetric, MeanMetric, MinMetric, SumMetric from byprot import utils from byprot.tasks import TaskLitModule, register_task from byprot.utils.config import compose_config as Cfg from byprot.utils.config import merge_config log = utils.get_logger(__name__) def cal_index_acc(logits, target, loss_mask, bit_level=False): if not bit_level: model_pred = logits.argmax(dim=-1) index_match = (model_pred == target) & loss_mask index_accuracy = index_match.sum() / loss_mask.sum() return index_accuracy else: model_pred = logits.argmax(dim=-1) label_mask_expand = loss_mask[..., None].expand( model_pred.shape ) # B x L x 13 total_bits = label_mask_expand.sum() bitwise_match = (model_pred == target) & label_mask_expand bitwise_accuracy = bitwise_match.sum() / total_bits index_accuracy = ( bitwise_match.sum(dim=-1) == bitwise_match.shape[-1] ).sum() / loss_mask.sum() return index_accuracy, bitwise_accuracy @register_task("lm/dplm2") class DPLM2TrainingTask(TaskLitModule): _DEFAULT_CFG: DictConfig = Cfg( learning=Cfg( watch_t1_t2_loss=False, cal_constant_loss=False, weight="constant", ), ) def __init__( self, model: Union[nn.Module, DictConfig], criterion: Union[nn.Module, DictConfig], optimizer: DictConfig, lr_scheduler: DictConfig = None, *, learning=_DEFAULT_CFG.learning, ): super().__init__(model, criterion, optimizer, lr_scheduler) # this line allows to access init params with 'self.hparams' attribute # it also ensures init params will be stored in ckpt self.save_hyperparameters(logger=True) self.build_model() self.tokenizer = self.model.tokenizer def setup(self, stage=None) -> None: super().setup(stage) self.build_criterion() self.build_torchmetric() if self.stage == "fit": log.info(f"\n{self.model}") elif self.stage == "test": self.test_step_outputs = [] def on_before_optimizer_step(self, optimizer): if self.global_rank == 0: grad_norm_dict = grad_norm( self.trainer.strategy.model, norm_type=2 ) self.log_dict(grad_norm_dict) def build_model(self): log.info(f"Instantiating neural model <{self.hparams.model._target_}>") self.model = utils.instantiate_from_config( cfg=self.hparams.model, group="model" ) def build_criterion(self): self.criterion = utils.instantiate_from_config( cfg=self.hparams.criterion ) self.criterion.ignore_index = self.tokenizer.pad_token_id def build_torchmetric(self): self.eval_loss = MeanMetric() self.eval_nll_loss = MeanMetric() self.val_ppl_best = MinMetric() # Multi-modal valid loss self.eval_struct_loss = MeanMetric() self.eval_aatype_loss = MeanMetric() self.eval_struct_acc = MeanMetric() self.eval_aatype_acc = MeanMetric() def load_from_ckpt(self, ckpt_path, not_load=False): # do not load state dict from ckpt, just use the initialized parameters. if not_load: return state_dict = torch.load(ckpt_path, map_location="cpu")["state_dict"] missing, unexpected = self.load_state_dict(state_dict, strict=False) del state_dict print( f"Restored from {ckpt_path} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") def step(self, batch): """batch is a Dict containing: - corrds: FloatTensor [bsz, len, n_atoms, 3], coordinates of proteins - corrd_mask: BooltTensor [bsz, len], where valid coordinates are set True, otherwise False - lengths: int [bsz, len], protein sequence lengths - tokens: LongTensor [bsz, len], sequence of amino acids """ weighting = self.hparams.learning.weight logits, targets, loss_masks, weights = self.model.compute_loss( batch, weighting=weighting ) loss, logging_output = self.criterion( logits, targets, loss_masks, weights, watch_t1_t2_loss=self.hparams.learning.watch_t1_t2_loss, cal_constant_loss=self.hparams.learning.cal_constant_loss, ) # calculate index accuracy logging_output["aatype/index_accuracy"] = cal_index_acc( logits["aatype"], targets["aatype"], loss_masks["aatype"] ) if len(loss_masks["struct"].shape) == ( len(targets["struct"].shape) - 1 ): # if bit-based modeling, # the loss is in B x L x 13 and label_mask is in B x L ( logging_output["struct/index_accuracy"], logging_output["struct/bit_accuracy"], ) = cal_index_acc( logits["struct"], targets["struct"], loss_masks["struct"], bit_level=True, ) else: logging_output["struct/index_accuracy"] = cal_index_acc( logits["struct"], targets["struct"], loss_masks["struct"] ) if torch.isnan(loss): print("Loss NAN on step ", self.global_step) loss = loss * 0 logging_output["nll_loss"] = logging_output["nll_loss"] * 0 logging_output["fullseq_loss"] = logging_output["fullseq_loss"] * 0 logging_output["fullseq_nll_loss"] = ( logging_output["fullseq_nll_loss"] * 0 ) logging_output["ppl"] = logging_output["ppl"] * 0 return loss, logging_output def training_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log train metrics self.log( "global_step", self.global_step, on_step=True, on_epoch=False, prog_bar=True, ) self.log("lr", self.lrate, on_step=True, on_epoch=False, prog_bar=True) for log_key in logging_output: log_value = logging_output[log_key] self.log( f"train/{log_key}", log_value, on_step=True, on_epoch=False, prog_bar=True, ) return {"loss": loss} # -------# Evaluating #-------- # def validation_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log other metrics sample_size = logging_output["sample_size"] self.eval_loss.update(loss, weight=sample_size) self.eval_nll_loss.update( logging_output["nll_loss"], weight=sample_size ) for log_key in logging_output: if "constant_diff_loss" not in log_key: continue log_value = logging_output[log_key] eval_type = log_key.split("/")[0] if eval_type == "aatype": self.eval_aatype_loss.update(log_value, weight=sample_size) elif eval_type == "struct": self.eval_struct_loss.update(log_value, weight=sample_size) else: raise NotImplementedError self.eval_aatype_acc.update( logging_output["aatype/index_accuracy"], weight=sample_size ) self.eval_struct_acc.update( logging_output["struct/index_accuracy"], weight=sample_size ) return {"loss": loss} def on_validation_epoch_end(self): log_key = "test" if self.stage == "test" else "val" # compute metrics averaged over the whole dataset eval_loss = self.eval_loss.compute() self.eval_loss.reset() eval_nll_loss = self.eval_nll_loss.compute() self.eval_nll_loss.reset() eval_ppl = torch.exp(eval_nll_loss) eval_aatype_loss = self.eval_aatype_loss.compute() self.eval_aatype_loss.reset() eval_struct_loss = self.eval_struct_loss.compute() self.eval_struct_loss.reset() eval_aatype_accuracy = self.eval_aatype_acc.compute() self.eval_aatype_acc.reset() eval_struct_accuracy = self.eval_struct_acc.compute() self.eval_struct_acc.reset() self.log( f"{log_key}/loss", eval_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/nll_loss", eval_nll_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/ppl", eval_ppl, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/aatype_loss", eval_aatype_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/struct_loss", eval_struct_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/aatype_index_accuracy", eval_aatype_accuracy, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/struct_index_accuracy", eval_struct_accuracy, on_step=False, on_epoch=True, prog_bar=True, ) if self.stage == "fit": self.val_ppl_best.update(eval_ppl) self.log( "val/ppl_best", self.val_ppl_best.compute(), on_epoch=True, prog_bar=True, ) super().on_validation_epoch_end() ================================================ FILE: src/byprot/tasks/lm/dplm_invfold.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import copy import os from copy import deepcopy from typing import Any, Callable, List, Union import numpy as np import torch from omegaconf import DictConfig from torch import nn from torchmetrics import CatMetric, MaxMetric, MeanMetric, MinMetric from byprot import utils from byprot.datamodules.dataset.data_utils import Alphabet from byprot.modules import metrics from byprot.tasks import TaskLitModule, register_task from byprot.utils.config import compose_config as Cfg from byprot.utils.config import merge_config log = utils.get_logger(__name__) def new_arange(x, *size): """Return a Tensor of `size` filled with a range function on the device of x. If size is empty, using the size of the variable x. """ if len(size) == 0: size = x.size() return torch.arange(size[-1], device=x.device).expand(*size).contiguous() @register_task("lm/dplm_invfold") class ConditionalDPLMTrainingTask(TaskLitModule): _DEFAULT_CFG: DictConfig = Cfg( learning=Cfg( noise="rdm", # ['full_mask', 'random_mask'] num_unroll=0, watch_t1_t2_loss=False, cal_constant_loss=False, weight="constant", output_encoder_logits=False, ), generator=Cfg( max_iter=1, strategy="discrete_diffusion", # ['denoise' | 'mask_predict'] noise="full_mask", # ['full_mask' | 'selected mask'] replace_visible_tokens=False, temperature=0, eval_plddt=False, eval_sc=False, sampling_strategy="argmax", use_draft_seq=False, ), ) def __init__( self, model: Union[nn.Module, DictConfig], alphabet: DictConfig, criterion: Union[nn.Module, DictConfig], optimizer: DictConfig, lr_scheduler: DictConfig = None, *, learning=_DEFAULT_CFG.learning, generator=_DEFAULT_CFG.generator, ): super().__init__(model, criterion, optimizer, lr_scheduler) # this line allows to access init params with 'self.hparams' attribute # it also ensures init params will be stored in ckpt # self.save_hyperparameters(ignore=['model', 'criterion'], logger=False) self.save_hyperparameters(logger=True) self.alphabet = Alphabet(**alphabet) self.build_model() self.build_generator() def setup(self, stage=None) -> None: super().setup(stage) self.build_criterion() self.build_torchmetric() if self.stage == "fit": log.info(f"\n{self.model}") elif self.stage == "test": self.test_step_outputs = [] def on_test_epoch_start(self) -> None: if self.hparams.generator.eval_sc: import esm log.info( f"Eval structural self-consistency enabled. Loading ESMFold model..." ) self._folding_model = esm.pretrained.esmfold_v1().eval() self._folding_model = self._folding_model.to(self.device) def on_predict_epoch_start(self) -> None: if self.hparams.generator.eval_sc: import esm log.info( f"Eval structural self-consistency enabled. Loading ESMFold model..." ) self._folding_model = esm.pretrained.esmfold_v1().eval() self._folding_model = self._folding_model.to(self.device) def load_from_ckpt(self, ckpt_path, not_load=False): # do not load state dict from ckpt, just use the initialized parameters. if not_load: return state_dict = torch.load(ckpt_path, map_location="cpu")["state_dict"] missing, unexpected = self.load_state_dict(state_dict, strict=False) print( f"Restored from {ckpt_path} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) if len(missing) > 0: print(f"Missing Keys: {missing}") print(f"Unexpected Keys: {unexpected}") def build_model(self): log.info(f"Instantiating neural model <{self.hparams.model._target_}>") self.model = utils.instantiate_from_config( cfg=self.hparams.model, group="model" ) def build_generator(self): self.hparams.generator = merge_config( default_cfg=self._DEFAULT_CFG.generator, override_cfg=self.hparams.generator, ) log.info(f"Generator config: {self.hparams.generator}") def build_criterion(self): self.criterion = utils.instantiate_from_config( cfg=self.hparams.criterion ) self.criterion.ignore_index = self.alphabet.padding_idx def build_torchmetric(self): self.eval_loss = MeanMetric() self.eval_nll_loss = MeanMetric() self.val_ppl_best = MinMetric() self.plddt = MeanMetric() self.plddt_best = MaxMetric() self.acc = MeanMetric() self.acc_best = MaxMetric() self.acc_median = CatMetric() self.acc_median_best = MaxMetric() # -------# Training #-------- # @torch.no_grad() def inject_noise( self, tokens, coord_mask, noise=None, sel_mask=None, mask_by_unk=False ): padding_idx = self.alphabet.padding_idx if mask_by_unk: mask_idx = self.alphabet.unk_idx else: mask_idx = self.alphabet.mask_idx def _full_mask(target_tokens): target_mask = ( target_tokens.ne(padding_idx) # & mask & target_tokens.ne(self.alphabet.cls_idx) & target_tokens.ne(self.alphabet.eos_idx) ) # masked_target_tokens = target_tokens.masked_fill(~target_mask, mask_idx) masked_target_tokens = target_tokens.masked_fill( target_mask, mask_idx ) return masked_target_tokens def _random_mask(target_tokens): target_masks = target_tokens.ne(padding_idx) & coord_mask target_score = target_tokens.clone().float().uniform_() target_score.masked_fill_(~target_masks, 2.0) target_length = target_masks.sum(1).float() target_length = target_length * target_length.clone().uniform_() target_length = ( target_length + 1 ) # make sure to mask at least one token. _, target_rank = target_score.sort(1) target_cutoff = ( new_arange(target_rank) < target_length[:, None].long() ) masked_target_tokens = target_tokens.masked_fill( target_cutoff.scatter(1, target_rank, target_cutoff), mask_idx ) return masked_target_tokens def _selected_mask(target_tokens, sel_mask): masked_target_tokens = torch.masked_fill( target_tokens, mask=sel_mask, value=mask_idx ) return masked_target_tokens def _adaptive_mask(target_tokens): raise NotImplementedError noise = noise or self.hparams.noise if noise == "full_mask": masked_tokens = _full_mask(tokens) elif noise == "random_mask": masked_tokens = _random_mask(tokens) elif noise == "selected_mask": masked_tokens = _selected_mask(tokens, sel_mask=sel_mask) elif noise == "no_noise": masked_tokens = tokens else: raise ValueError(f"Noise type ({noise}) not defined.") prev_tokens = masked_tokens prev_token_mask = prev_tokens.eq(mask_idx) & coord_mask # target_mask = prev_token_mask & coord_mask return prev_tokens, prev_token_mask # , target_mask def step(self, batch): """batch is a Dict containing: - corrds: FloatTensor [bsz, len, n_atoms, 3], coordinates of proteins - corrd_mask: BooltTensor [bsz, len], where valid coordinates are set True, otherwise False - lengths: int [bsz, len], protein sequence lengths - tokens: LongTensor [bsz, len], sequence of amino acids """ model_output = self.model( batch, output_encoder_logits=self.hparams.learning.output_encoder_logits, weighting=self.hparams.learning.weight, ) ( diff_logits, diff_target, diff_loss_mask, diff_weights, encoder_logits, ) = model_output diff_loss, logging_output = self.criterion( diff_logits, diff_target, # [loss_mask], # hack to calculate ppl over coord_mask in test as same other methods label_mask=diff_loss_mask, weights=diff_weights, watch_t1_t2_loss=self.hparams.learning.watch_t1_t2_loss, cal_constant_loss=self.hparams.learning.cal_constant_loss, ) # Compute encoder loss if encoder_logits is not None: encoder_loss, encoder_logging_output = self.criterion( encoder_logits, diff_target, label_mask=diff_loss_mask, weights=diff_weights, ) # label_mask=label_mask) logging_output["encoder/nll_loss"] = encoder_logging_output[ "nll_loss" ] logging_output["encoder/ppl"] = encoder_logging_output["ppl"] loss = ( diff_loss + encoder_loss if encoder_logits is not None else diff_loss ) if torch.isnan(loss): print("Loss NAN on step ", self.global_step) loss = loss * 0 logging_output["nll_loss"] = logging_output["nll_loss"] * 0 logging_output["fullseq_loss"] = logging_output["fullseq_loss"] * 0 logging_output["fullseq_nll_loss"] = ( logging_output["fullseq_nll_loss"] * 0 ) logging_output["ppl"] = logging_output["ppl"] * 0 return loss, logging_output def training_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log train metrics self.log( "global_step", self.global_step, on_step=True, on_epoch=False, prog_bar=True, ) self.log("lr", self.lrate, on_step=True, on_epoch=False, prog_bar=True) for log_key in logging_output: log_value = logging_output[log_key] self.log( f"train/{log_key}", log_value, on_step=True, on_epoch=False, prog_bar=True, ) return {"loss": loss} # -------# Evaluating #-------- # def validation_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(deepcopy(batch)) # log other metrics sample_size = logging_output["sample_size"] self.eval_loss.update(loss, weight=sample_size) self.eval_nll_loss.update( logging_output["nll_loss"], weight=sample_size ) if self.stage == "fit": self.predict_step(batch, batch_idx) return {"loss": loss} @torch.cuda.amp.custom_fwd(cast_inputs=torch.float32) def eval_self_consistency(self, pred_ids, positions, mask=None): import byprot.modules.protein_metrics as pmetrics pred_seqs = decode(pred_ids, self.alphabet, remove_special=True) # run_folding: sc_tmscores = [] sc_rmsds = [] plddts = [] with torch.no_grad(): output = self._folding_model.infer(sequences=pred_seqs) positions = positions.cpu() folded_positions = output["positions"][-1].cpu() CA_idx = 1 for i in range(positions.shape[0]): pred_seq = pred_seqs[i] seqlen = len(pred_seq) _, sc_tmscore = pmetrics.calc_tm_score( positions[i, 1 : seqlen + 1, :3, :], folded_positions[i, :seqlen, :3, :], pred_seq, pred_seq, mask[i, 1 : seqlen + 1].cpu(), ) sc_tmscores.append(sc_tmscore) from openfold.utils.superimposition import superimpose _, sc_rmsd = superimpose( positions[i, 1 : seqlen + 1, CA_idx, :][None], folded_positions[i, :seqlen, CA_idx, :][None], mask[i, 1 : seqlen + 1].cpu(), ) sc_rmsds.append(sc_rmsd[0].item()) plddt = output["mean_plddt"][i].item() plddts.append(plddt) print( f"{i+1}/{positions.shape[0]}: {sc_tmscore}, {sc_rmsd}, {plddt}" ) return sc_tmscores, (sc_rmsds, plddts) def on_validation_epoch_end(self): log_key = "test" if self.stage == "test" else "val" # compute metrics averaged over the whole dataset eval_loss = self.eval_loss.compute() self.eval_loss.reset() eval_nll_loss = self.eval_nll_loss.compute() self.eval_nll_loss.reset() eval_ppl = torch.exp(eval_nll_loss) self.log( f"{log_key}/loss", eval_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/nll_loss", eval_nll_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/ppl", eval_ppl, on_step=False, on_epoch=True, prog_bar=True, ) if self.stage == "fit": self.val_ppl_best.update(eval_ppl) self.log( "val/ppl_best", self.val_ppl_best.compute(), on_epoch=True, prog_bar=True, ) self.on_predict_epoch_end() self.valid_uncon_count = 0 super().on_validation_epoch_end() # -------# Inference/Prediction #-------- # def forward(self, batch, return_ids=False): output_tokens, output_scores = self.model.generate( batch=batch, max_iter=self.hparams.generator.max_iter, sampling_strategy=self.hparams.generator.sampling_strategy, temperature=self.hparams.generator.temperature, use_draft_seq=self.hparams.generator.use_draft_seq, ) if not return_ids: return self.alphabet.decode(output_tokens) return output_tokens def predict_step( self, batch: Any, batch_idx: int, dataloader_idx: int = 0, log_metrics=True, ) -> Any: tokens = batch.pop("tokens") coord_mask = batch["coord_mask"] prev_tokens, prev_token_mask = self.inject_noise( tokens, coord_mask, noise=self.hparams.generator.noise, # NOTE: 'full_mask' by default. Set to 'selected_mask' when doing inpainting. ) batch["prev_tokens"] = prev_tokens batch["prev_token_mask"] = prev_tokens.eq(self.alphabet.mask_idx) pred_tokens = self.forward(batch, return_ids=True) special_sym_mask = ( tokens.eq(self.alphabet.padding_idx) | tokens.eq(self.alphabet.cls_idx) | tokens.eq(self.alphabet.eos_idx) ) pred_tokens.masked_scatter_(special_sym_mask, tokens[special_sym_mask]) if log_metrics: # per-sample accuracy recovery_acc_per_sample = metrics.accuracy_per_sample( pred_tokens, tokens, mask=coord_mask ) self.acc_median.update(recovery_acc_per_sample) # # global accuracy recovery_acc = metrics.accuracy( pred_tokens, tokens, mask=coord_mask ) self.acc.update(recovery_acc, weight=coord_mask.sum()) results = { "pred_tokens": pred_tokens, "names": batch["names"], "native": batch["seqs"], "recovery": recovery_acc_per_sample, "sc_tmscores": np.zeros(pred_tokens.shape[0]), "sc_rmsds": np.zeros(pred_tokens.shape[0]), "plddts": np.zeros(pred_tokens.shape[0]), } if self.hparams.generator.eval_sc: torch.cuda.empty_cache() sc_tmscores, (sc_rmsds, plddts) = self.eval_self_consistency( pred_tokens, batch["coords"], mask=coord_mask ) results["sc_tmscores"] = sc_tmscores results["sc_rmsds"] = sc_rmsds results["plddts"] = plddts if self.stage == "test": self.test_step_outputs.append(results) def on_predict_epoch_end(self) -> None: log_key = "test" if self.stage == "test" else "val" acc = self.acc.compute() * 100 self.acc.reset() self.log( f"{log_key}/acc", acc, on_step=False, on_epoch=True, prog_bar=True ) print("ACC: ", acc) acc_median = torch.median(self.acc_median.compute()) * 100 self.acc_median.reset() self.log( f"{log_key}/acc_median", acc_median, on_step=False, on_epoch=True, prog_bar=True, ) print("ACC_MEDIAN: ", acc_median) if self.stage == "fit": self.acc_best.update(acc) self.log( f"{log_key}/acc_best", self.acc_best.compute(), on_epoch=True, prog_bar=True, ) self.acc_median_best.update(acc_median) self.log( f"{log_key}/acc_median_best", self.acc_median_best.compute(), on_epoch=True, prog_bar=True, ) else: if self.hparams.generator.eval_sc: import itertools def _merge_and_log(name): metrics_list = list( itertools.chain( *[ result[name] for result in self.test_step_outputs ] ) ) self.log( f"{log_key}/{name}", np.mean(metrics_list), on_epoch=True, prog_bar=True, ) _merge_and_log("sc_tmscores") _merge_and_log("sc_rmsds") _merge_and_log("plddts") self.save_prediction( self.test_step_outputs, saveto=f"./test_tau{self.hparams.generator.temperature}.fasta", ) with open("./result.txt", "w") as f: f.write(f"acc: {acc}") f.write(f"acc_median: {acc_median}") def save_prediction(self, results, saveto=None): save_dict = {} if saveto: saveto = os.path.abspath(saveto) log.info(f"Saving predictions to {saveto}...") fp = open(saveto, "w") fp_native = open("./native.fasta", "w") for entry in results: for name, prediction, native, recovery, scTM, scRMSD, plddt in zip( entry["names"], decode( entry["pred_tokens"], self.alphabet, remove_special=True ), entry["native"], entry["recovery"], entry["sc_tmscores"], entry["sc_rmsds"], entry["plddts"], ): save_dict[name] = { "prediction": prediction, "native": native, "recovery": recovery, } if saveto: fp.write( f">name={name} | L={len(prediction)} | AAR={recovery:.2f} | scTM={scTM:.2f} | scRMSD={scRMSD:.2f} | plddt={plddt:.2f} \n" ) fp.write(f"{prediction}\n\n") fp_native.write(f">name={name}\n{native}\n\n") if saveto: fp.close() fp_native.close() return save_dict def decode(batch_ids, alphabet, remove_special=False, replace_X=True): ret = [] for ids in batch_ids: line = "".join([alphabet.get_tok(id) for id in ids]) if remove_special: line = ( line.replace(alphabet.get_tok(alphabet.mask_idx), "_") .replace(alphabet.get_tok(alphabet.eos_idx), "") .replace(alphabet.get_tok(alphabet.cls_idx), "") .replace(alphabet.get_tok(alphabet.padding_idx), "") .replace(alphabet.get_tok(alphabet.unk_idx), "-") ) if replace_X: line = line.replace("X", "G") ret.append(line) return ret ================================================ FILE: src/byprot/tasks/lm/mlm.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import copy import os from typing import Any, Callable, List, Union import numpy as np import torch from lightning.pytorch.utilities import grad_norm from omegaconf import DictConfig from torch import nn from torch.nn import functional as F from torchmetrics import CatMetric, MaxMetric, MeanMetric, MinMetric, SumMetric from byprot import utils from byprot.models.utils import get_net from byprot.modules import metrics from byprot.tasks import TaskLitModule, register_task from byprot.utils.config import compose_config as Cfg from byprot.utils.config import merge_config log = utils.get_logger(__name__) def new_arange(x, *size): """Return a Tensor of `size` filled with a range function on the device of x. If size is empty, using the size of the variable x. """ if len(size) == 0: size = x.size() return torch.arange(size[-1], device=x.device).expand(*size).contiguous() @register_task("lm/mlm") class MLMTrainingTask(TaskLitModule): _DEFAULT_CFG: DictConfig = Cfg( learning=Cfg( noise="random_mask", # ['full_mask', 'random_mask'] num_unroll=0, mlm_prob=0.15, ), generator=Cfg( max_iter=1, temperature=0, ), ) def __init__( self, model: Union[nn.Module, DictConfig], criterion: Union[nn.Module, DictConfig], optimizer: DictConfig, lr_scheduler: DictConfig = None, *, learning=_DEFAULT_CFG.learning, generator=_DEFAULT_CFG.generator, ): super().__init__(model, criterion, optimizer, lr_scheduler) # this line allows to access init params with 'self.hparams' attribute # it also ensures init params will be stored in ckpt self.save_hyperparameters(logger=True) self.build_model() self.tokenizer = self.model.tokenizer def setup(self, stage=None) -> None: super().setup(stage) self.build_criterion() self.build_torchmetric() if self.stage == "fit": log.info(f"\n{self.model}") elif self.stage == "test": self.test_step_outputs = [] def on_before_optimizer_step(self, optimizer): if self.global_rank == 0: grad_norm_dict = grad_norm( self.trainer.strategy.model, norm_type=2 ) self.log_dict(grad_norm_dict) def build_model(self): wxy = 1 self.model = get_net(cfg=self.hparams.model) def build_criterion(self): self.criterion = utils.instantiate_from_config( cfg=self.hparams.criterion ) self.criterion.ignore_index = self.tokenizer.pad_token_id def build_torchmetric(self): self.eval_loss = MeanMetric() self.eval_nll_loss = MeanMetric() self.val_ppl_best = MinMetric() self.acc = MeanMetric() self.acc_best = MaxMetric() @torch.no_grad() def inject_noise(self, tokens): padding_idx = self.tokenizer.pad_token_id mask_idx = self.tokenizer.mask_token_id def _mlm_mask(inputs): prev_tokens = inputs.clone() labels = inputs.clone() # We sample a few tokens in each sequence for MLM training (with probability `self.mlm_probability`) probability_matrix = torch.full( labels.shape, self.hparams.learning.mlm_prob ).to(inputs.device) special_tokens_mask = ( prev_tokens.eq(padding_idx) # & mask & prev_tokens.eq(self.tokenizer.cls_token_id) & prev_tokens.eq(self.tokenizer.eos_token_id) ) probability_matrix.masked_fill_(special_tokens_mask, value=0.0) masked_indices = torch.bernoulli(probability_matrix).bool() # 80% of the time, we replace masked input tokens with tokenizer.mask_token ([MASK]) indices_replaced = ( torch.bernoulli( torch.full_like(probability_matrix, 0.8) ).bool() & masked_indices ) prev_tokens[indices_replaced] = mask_idx # 10% of the time, we replace masked input tokens with random word indices_random = ( torch.bernoulli( torch.full_like(probability_matrix, 0.5) ).bool() & masked_indices & ~indices_replaced ) random_words = torch.randint( len(self.tokenizer), labels.shape ).type_as(prev_tokens) prev_tokens[indices_random] = random_words[indices_random] return prev_tokens, masked_indices prev_tokens, prev_tokens_mask = _mlm_mask(tokens) return prev_tokens, prev_tokens_mask def step(self, batch): """batch is a Dict containing: - corrds: FloatTensor [bsz, len, n_atoms, 3], coordinates of proteins - corrd_mask: BooltTensor [bsz, len], where valid coordinates are set True, otherwise False - lengths: int [bsz, len], protein sequence lengths - tokens: LongTensor [bsz, len], sequence of amino acids """ tokens = batch["input_ids"] noised_tokens, noise_mask = self.inject_noise(tokens) results = self.model(input_ids=noised_tokens) logits = results["logits"] loss, logging_output = self.criterion( logits, tokens, label_mask=noise_mask ) if torch.isnan(loss): print("Loss NAN on step ", self.global_step) loss = loss * 0 logging_output["nll_loss"] = logging_output["nll_loss"] * 0 logging_output["fullseq_loss"] = logging_output["fullseq_loss"] * 0 logging_output["fullseq_nll_loss"] = ( logging_output["fullseq_nll_loss"] * 0 ) logging_output["ppl"] = logging_output["ppl"] * 0 return loss, logging_output def training_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log train metrics self.log( "global_step", self.global_step, on_step=True, on_epoch=False, prog_bar=True, ) self.log("lr", self.lrate, on_step=True, on_epoch=False, prog_bar=True) for log_key in logging_output: log_value = logging_output[log_key] self.log( f"train/{log_key}", log_value, on_step=True, on_epoch=False, prog_bar=True, ) return {"loss": loss} # -------# Evaluating #-------- # def on_test_epoch_start(self) -> None: self.hparams.noise = "full_mask" def validation_step(self, batch: Any, batch_idx: int): loss, logging_output = self.step(batch) # log other metrics sample_size = logging_output["sample_size"] self.eval_loss.update(loss, weight=sample_size) self.eval_nll_loss.update( logging_output["nll_loss"], weight=sample_size ) if self.stage == "fit": self.predict_step(batch, batch_idx) return {"loss": loss} def on_validation_epoch_end(self): log_key = "test" if self.stage == "test" else "val" # compute metrics averaged over the whole dataset eval_loss = self.eval_loss.compute() self.eval_loss.reset() eval_nll_loss = self.eval_nll_loss.compute() self.eval_nll_loss.reset() eval_ppl = torch.exp(eval_nll_loss) self.log( f"{log_key}/loss", eval_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/nll_loss", eval_nll_loss, on_step=False, on_epoch=True, prog_bar=True, ) self.log( f"{log_key}/ppl", eval_ppl, on_step=False, on_epoch=True, prog_bar=True, ) if self.stage == "fit": self.val_ppl_best.update(eval_ppl) self.log( "val/ppl_best", self.val_ppl_best.compute(), on_epoch=True, prog_bar=True, ) self.on_predict_epoch_end() super().on_validation_epoch_end() # -------# Inference/Prediction #-------- # def forward(self, batch, return_ids=False): tokens = batch.pop("input_ids") noised_tokens, noise_mask = self.inject_noise( tokens, ) batch["input_ids"] = noised_tokens output_tokens, output_scores = self.model.generate( batch=batch, max_iter=self.hparams.generator.max_iter, temperature=self.hparams.generator.temperature, sampling_strategy="argmax", partial_masks=~noise_mask, ) if not return_ids: return self.alphabet.decode(output_tokens) return output_tokens, noise_mask def predict_step( self, batch: Any, batch_idx: int, dataloader_idx: int = 0, log_metrics=True, ) -> Any: tokens = batch["input_ids"].clone() pred_tokens, noise_mask = self.forward(batch, return_ids=True) if log_metrics: # # global accuracy recovery_acc = metrics.accuracy( pred_tokens, tokens, mask=noise_mask ) self.acc.update(recovery_acc, weight=noise_mask.sum()) def on_predict_epoch_end(self) -> None: log_key = "test" if self.stage == "test" else "val" acc = self.acc.compute() * 100 self.acc.reset() self.log( f"{log_key}/acc", acc, on_step=False, on_epoch=True, prog_bar=True ) if self.stage == "fit": self.acc_best.update(acc) self.log( f"{log_key}/acc_best", self.acc_best.compute(), on_epoch=True, prog_bar=True, ) ================================================ FILE: src/byprot/tasks/struct_tokenizer/structok.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from contextlib import contextmanager from typing import Any, List, Union import numpy as np import torch from omegaconf import DictConfig from openfold.np import residue_constants from openfold.utils.loss import lddt_ca from openfold.utils.superimposition import superimpose from openfold.utils.tensor_utils import tensor_tree_map from openfold.utils.validation_metrics import gdt_ha, gdt_ts from torch import nn from torch.nn import functional as F from torchmetrics import MaxMetric, MeanMetric, MinMetric from byprot import utils from byprot.models.structok.modules.loss import drmsd from byprot.tasks import ( TaskLitModule, get_optimizer, get_scheduler, register_task, ) from byprot.utils.config import compose_config as Cfg from byprot.utils.config import merge_config # import esm log = utils.get_logger(__name__) def exists(o): return o is not None @register_task("structok") class StrucTok(TaskLitModule): _DEFAULT_CFG: DictConfig = Cfg( learning=Cfg( pretrained_model_path=None, restore_optimizer=False, ), ) def __init__( self, model: Union[nn.Module, DictConfig], criterion: Union[nn.Module, DictConfig], optimizer: DictConfig, lr_scheduler: DictConfig = None, *, learning=_DEFAULT_CFG.learning, ): super().__init__(model, criterion, optimizer, lr_scheduler) # this line allows to access init params with 'self.hparams' attribute # it also ensures init params will be stored in ckpt # self.save_hyperparameters(ignore=['model', 'criterion'], logger=False) self.save_hyperparameters(logger=True) self.build_model() def setup(self, stage=None) -> None: super().setup(stage) self.build_criterion() self.build_torchmetric() if self.stage == "fit": log.info(f"\n{self.model}") if exists(self.hparams.learning.pretrained_model_path): log.info( f"Initializing model from pretrained weights: {self.hparams.learning.pretrained_model_path}" ) self.load_from_ckpt( self.hparams.learning.pretrained_model_path ) def load_from_ckpt(self, ckpt_path): # return state_dict = torch.load(ckpt_path, map_location="cpu")["state_dict"] state_dict_without_decoder = { nn: pp for nn, pp in state_dict.items() if not nn.startswith("model.decoder") } if self.hparams.learning.get("no_pretrained_decoder"): state_dict_decoder = {} else: state_dict_decoder = { nn: pp for nn, pp in state_dict.items() if nn.startswith("model.decoder") } for sd in [state_dict_without_decoder, state_dict_decoder]: try: missing, unexpected = self.load_state_dict(sd, strict=False) print( f"Restored from {ckpt_path} with {len(missing)} missing and {len(unexpected)} unexpected keys" ) except RuntimeError as e: print(e) continue def build_model(self): log.info(f"Instantiating neural model <{self.hparams.model._target_}>") self.model = utils.instantiate_from_config( cfg=self.hparams.model, group="model" ) def build_criterion(self): self.criterion = utils.instantiate_from_config( cfg=self.hparams.criterion ) def build_torchmetric(self): self.metrics = nn.ModuleDict( {"eval_loss": MeanMetric(), "eval_loss_best": MinMetric()} ) @contextmanager def ema_scope(self, context=None): if self.use_ema: self.model_ema.store(self.parameters()) self.model_ema.copy_to(self) if context is not None: print(f"{context}: Switched to EMA weights") try: yield None finally: if self.use_ema: self.model_ema.restore(self.parameters()) if context is not None: print(f"{context}: Restored training weights") def step(self, batch): try: outputs, codebook_loss, predicted_indices = self.model(batch) loss, logging_outputs = self.criterion( outputs, batch, codebook_loss, self.global_step, predicted_indices, ) # loss, logging_output = self.criterion(logits, tokens, label_mask=label_mask) except: loss = None outputs = None logging_outputs = None return loss, outputs, logging_outputs def training_step(self, batch: Any, batch_idx: int, **kwargs): loss, model_outputs, logging_output = self.step(batch) if loss is None: try: log.info( f"Error in current training step! csv index: {batch['csv_idx'].tolist()}" ) except: log.info( f"Error in current training step! CAN NOT PRINT batch['csv_idx']!" ) return # log train metrics self.log( "global_step", self.global_step, on_step=True, on_epoch=False, prog_bar=True, ) self.log("lr", self.lrate, on_step=True, on_epoch=False, prog_bar=True) # Log it self._log(logging_output, batch, model_outputs, train=True) return {"loss": loss} # -------# Evaluating #-------- # def validation_step(self, batch: Any, batch_idx: int): loss, model_outputs, logging_output = self.step(batch) # Log it self._log(logging_output, batch, model_outputs, train=False) # # log other metrics self.metrics["eval_loss"].update( loss, weight=logging_output["num_residue"] ) return {"loss": loss} def on_validation_epoch_end(self): log_key = "test" if self.stage == "test" else "val" # compute metrics averaged over the whole dataset eval_loss_agg = self.metrics["eval_loss"].compute() self.metrics["eval_loss"].reset() self.log( f"{log_key}/loss", eval_loss_agg, on_step=False, on_epoch=True, prog_bar=True, ) if self.stage == "fit": self.metrics["eval_loss_best"].update(eval_loss_agg) self.log( f"{log_key}/loss_best", self.metrics["eval_loss_best"].compute(), on_epoch=True, prog_bar=True, ) super().on_validation_epoch_end() def _log(self, loss_breakdown, batch, outputs, train=True): phase = "train" if train else "val" for loss_name, indiv_loss in loss_breakdown.items(): self.log( f"{phase}/{loss_name}", indiv_loss, on_step=train, on_epoch=(not train), prog_bar=True, logger=True, ) if train: self.log( f"{phase}/{loss_name}_epoch", indiv_loss, on_step=False, on_epoch=True, prog_bar=True, logger=True, ) with torch.no_grad(): other_metrics = self._compute_validation_metrics( batch, outputs, superimposition_metrics=(not train) ) for k, v in other_metrics.items(): self.log( f"{phase}/{k}", torch.mean(v), on_step=True, on_epoch=True, prog_bar=True, logger=True, ) def _compute_validation_metrics( self, batch, outputs, superimposition_metrics=False ): metrics = {} gt_coords = batch["all_atom_positions"] pred_coords = outputs["final_atom_positions"] all_atom_mask = batch["all_atom_mask"] # This is super janky for superimposition. Fix later gt_coords_masked = gt_coords * all_atom_mask[..., None] pred_coords_masked = pred_coords * all_atom_mask[..., None] ca_pos = residue_constants.atom_order["CA"] gt_coords_masked_ca = gt_coords_masked[..., ca_pos, :] pred_coords_masked_ca = pred_coords_masked[..., ca_pos, :] all_atom_mask_ca = all_atom_mask[..., ca_pos] lddt_ca_score = lddt_ca( pred_coords, gt_coords, all_atom_mask, eps=self.criterion.config.rec_loss.eps, per_residue=False, ) metrics["lddt_ca"] = lddt_ca_score drmsd_ca_score = drmsd( pred_coords_masked_ca, gt_coords_masked_ca, mask=all_atom_mask_ca, # still required here to compute n ) metrics["drmsd_ca"] = drmsd_ca_score if superimposition_metrics: @torch.cuda.amp.custom_fwd(cast_inputs=torch.float32) def safe_superimpose(reference, coords, mask): return superimpose( reference, coords, mask, ) superimposed_pred, alignment_rmsd = safe_superimpose( gt_coords_masked_ca, pred_coords_masked_ca, all_atom_mask_ca, ) gdt_ts_score = gdt_ts( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) gdt_ha_score = gdt_ha( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) metrics["alignment_rmsd"] = alignment_rmsd metrics["gdt_ts"] = gdt_ts_score metrics["gdt_ha"] = gdt_ha_score return metrics # -------# Optimizers & Lr Schedulers #-------- # def configure_optimizers(self): """Choose what optimizers and learning-rate schedulers to use in your optimization. Normally you'd need one. But in the case of GANs or similar you might have multiple. See examples here: https://pytorch-lightning.readthedocs.io/en/latest/common/lightning_module.html#configure-optimizers """ optimizer = get_optimizer( self.hparams.optimizer, [pp for pp in self.parameters() if pp.requires_grad], ) if ( self.training and self.hparams.learning.restore_optimizer and exists(self.hparams.learning.pretrained_model_path) ): log.info( f"Restoring optimizer states from: {self.hparams.learning.pretrained_model_path}" ) loaded_state_dict = torch.load( self.hparams.learning.pretrained_model_path, map_location="cpu" )["optimizer_states"][0] # only restore optimizer state, keep other optmizer hparams set this time. state_dict = optimizer.state_dict() state_dict["state"] = loaded_state_dict["state"] optimizer.load_state_dict(state_dict) if ( "lr_scheduler" in self.hparams and self.hparams.lr_scheduler is not None ): lr_scheduler, extra_kwargs = get_scheduler( self.hparams.lr_scheduler, optimizer ) return { "optimizer": optimizer, "lr_scheduler": {"scheduler": lr_scheduler, **extra_kwargs}, } return optimizer ================================================ FILE: src/byprot/testing_pipeline.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import os from typing import List import hydra from omegaconf import DictConfig from pytorch_lightning import ( LightningDataModule, LightningModule, Trainer, seed_everything, ) from pytorch_lightning.loggers import Logger as LightningLoggerBase from torch import nn from byprot import utils from byprot.tasks import on_prediction_mode log = utils.get_logger(__name__) def test(config: DictConfig) -> None: """Contains minimal example of the testing/prediction pipeline. Evaluates given checkpoint on a testset. Args: config (DictConfig): Configuration composed by Hydra. Returns: None """ # Set seed for random number generators in pytorch, numpy and python.random if config.get("seed"): seed_everything(config.seed, workers=True) # Convert relative ckpt path to absolute path if necessary if not os.path.isabs(config.ckpt_path): config.ckpt_path = utils.resolve_ckpt_path( ckpt_dir=config.paths.ckpt_dir, ckpt_path=config.ckpt_path ) # loading pipeline datamodule, pl_module, logger, callbacks = utils.common_pipeline(config) # Init lightning trainer log.info(f"Instantiating trainer <{config.trainer._target_}>") trainer: Trainer = hydra.utils.instantiate( config.trainer, logger=logger, callbacks=callbacks ) # Log hyperparameters if trainer.logger: trainer.logger.log_hyperparams({"ckpt_path": config.ckpt_path}) mode = config.mode # Start prediction log.info(f"Starting on mode='{mode}'!") # (1) Specify test dataset by configuring datamodule.test_split data_split = config.get("data_split") or config.datamodule.get( "test_split", "test" ) datamodule.hparams.test_split = data_split log.info(f"Loading test data from '{data_split}' dataset...") # Pytorch Lightning treat predict differently compared to what we commonly think of. # Must use this context manager and trainer.test to run prediction as expected. with on_prediction_mode(pl_module, enable=mode == "predict"): trainer.test( model=pl_module, datamodule=datamodule, ckpt_path=config.ckpt_path ) log.info(f"Finished mode='{mode}' on '{data_split}' dataset.") ================================================ FILE: src/byprot/training_pipeline.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import os from typing import List, Optional import hydra from lightning.pytorch.strategies import FSDPStrategy from omegaconf import DictConfig from pytorch_lightning import ( Callback, LightningDataModule, LightningModule, Trainer, seed_everything, ) from pytorch_lightning.loggers import Logger as LightopenningLoggerBase from torch import nn from byprot import utils log = utils.get_logger(__name__) def train(config: DictConfig) -> Optional[float]: """Contains the training pipeline. Can additionally evaluate model on a testset, using best weights achieved during training. Args: config (DictConfig): Configuration composed by Hydra. Returns: Optional[float]: Metric score for hyperparameter optimization. """ # Set seed for random number generators in pytorch, numpy and python.random if config.get("seed"): seed_everything(config.seed, workers=True) # Convert relative ckpt path to absolute path if necessary ckpt_path = not config.train.get( "force_restart", False ) and config.train.get("ckpt_path") if ckpt_path: ckpt_path = utils.resolve_ckpt_path( ckpt_dir=config.paths.ckpt_dir, ckpt_path=ckpt_path ) if os.path.exists(ckpt_path): log.info(f"Resuming checkpoint from <{ckpt_path}>") else: log.info( f"Failed to resume checkpoint from <{ckpt_path}>: file not exists. Skip." ) ckpt_path = None # loading pipeline datamodule, pl_module, logger, callbacks = utils.common_pipeline(config) # Init lightning trainer log.info(f"Instantiating trainer <{config.trainer._target_}>") trainer: Trainer = hydra.utils.instantiate( config.trainer, callbacks=callbacks, logger=logger, _convert_="partial" ) # Send some parameters from config to all lightning loggers log.info("Logging hyperparameters!") utils.log_hyperparameters( config=config, datamodule=datamodule, # model=model, model=pl_module, trainer=trainer, callbacks=callbacks, logger=logger, ) # Train the model if config.get("train"): log.info("Starting training!") trainer.fit( model=pl_module, datamodule=datamodule, ckpt_path=ckpt_path ) # Get metric score for hyperparameter optimization optimized_metric = config.get("optimized_metric") if optimized_metric and optimized_metric not in trainer.callback_metrics: raise Exception( "Metric for hyperparameter optimization not found! " "Make sure the `optimized_metric` in `hparams_search` config is correct!" ) score = trainer.callback_metrics.get(optimized_metric) # Test the model if config.get("test"): log.info("Starting testing!") best_ckpt_path = os.path.join(config.paths.ckpt_dir, "best.ckpt") trainer.test( model=pl_module, datamodule=datamodule, ckpt_path=best_ckpt_path ) # Make sure everything closed properly log.info("Finalizing!") utils.finish( config=config, model=pl_module, datamodule=datamodule, trainer=trainer, callbacks=callbacks, logger=logger, ) # Print path to best checkpoint if not config.trainer.get("fast_dev_run") and config.get("train"): log.info( f"Best model ckpt at {trainer.checkpoint_callback.best_model_path}" ) # Return metric score for hyperparameter optimization return score ================================================ FILE: src/byprot/utils/__init__.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import glob import importlib import logging import os import random import subprocess import warnings from contextlib import contextmanager from copy import deepcopy from pathlib import Path from typing import Any, List, Sequence import hydra import numpy as np import pytorch_lightning as pl import rich.syntax import rich.tree import torch from omegaconf import DictConfig, OmegaConf from pytorch_lightning import Callback, LightningDataModule, LightningModule from pytorch_lightning.loggers import Logger as LightningLoggerBase from pytorch_lightning.loggers import TensorBoardLogger from pytorch_lightning.utilities import rank_zero_only from pytorch_lightning.utilities.seed import isolate_rng from . import strategies from .config import ( instantiate_from_config, load_yaml_config, resolve_experiment_config, ) def get_logger(name=__name__) -> logging.Logger: """Initializes multi-GPU-friendly python command line logger.""" logger = logging.getLogger(name) # this ensures all logging levels get marked with the rank zero decorator # otherwise logs would get multiplied for each GPU process in multi-GPU setup for level in ( "debug", "info", "warning", "error", "exception", "fatal", "critical", ): setattr(logger, level, rank_zero_only(getattr(logger, level))) return logger log = get_logger(__name__) def load_from_experiment(experiment_save_dir, ckpt="best.ckpt"): cfg_path = Path(experiment_save_dir, ".hydra", "config.yaml") cfg = load_yaml_config(str(cfg_path)) cfg.ckpt_path = Path(experiment_save_dir, "checkpoints", ckpt) pl_module = instantiate_from_config( cfg=cfg.task, group="task", model=cfg.model ) pl_module.load_from_ckpt(str(cfg.ckpt_path)) return pl_module, cfg def extras(config: DictConfig) -> None: """Applies optional utilities, controlled by config flags. Utilities: - Ignoring python warnings - Rich config printing """ OmegaConf.set_struct(config, False) OmegaConf.resolve(config) OmegaConf.register_new_resolver("eval", eval) # print current git revision sh log.info(f"Current git revision hash: {get_git_revision_hash()}") # disable python warnings if if config.get("ignore_warnings"): log.info("Disabling python warnings! ") warnings.filterwarnings("ignore") # pretty print config tree using Rich library if if config.get("print_config"): log.info("Printing config tree with Rich! ") print_config(config, resolve=True) return config @rank_zero_only def print_config( config: DictConfig, print_order: Sequence[str] = ( "datamodule", "task", "model", "callbacks", "logger", "trainer", "training", ), resolve: bool = True, ) -> None: """Prints content of DictConfig using Rich library and its tree structure. Args: config (DictConfig): Configuration composed by Hydra. print_order (Sequence[str], optional): Determines in what order config components are printed. resolve (bool, optional): Whether to resolve reference fields of DictConfig. """ style = "dim" tree = rich.tree.Tree("CONFIG", style=style, guide_style=style) quee = [] for field in print_order: quee.append(field) if field in config else log.info( f"Field '{field}' not found in config" ) for field in config: if field not in quee: quee.append(field) for field in quee: branch = tree.add(field, style=style, guide_style=style) config_group = config[field] if isinstance(config_group, DictConfig): branch_content = OmegaConf.to_yaml(config_group, resolve=resolve) else: branch_content = str(config_group) branch.add(rich.syntax.Syntax(branch_content, "yaml")) rich.print(tree) with open("config_tree.log", "w") as file: rich.print(tree, file=file) @rank_zero_only def log_hyperparameters( config: DictConfig, model: pl.LightningModule, datamodule: pl.LightningDataModule, trainer: pl.Trainer, callbacks: List[pl.Callback], logger: List[LightningLoggerBase], ) -> None: """Controls which config parts are saved by Lightning loggers. Additionaly saves: - number of model parameters """ if not trainer.logger: return hparams = {} config = OmegaConf.to_container(config, resolve=True) # choose which parts of hydra config will be saved to loggers hparams["task"] = config["task"] hparams["task"].pop("model", None) hparams["model"] = config["model"] # save number of model parameters hparams["model/params/total"] = sum(p.numel() for p in model.parameters()) hparams["model/params/trainable"] = sum( p.numel() for p in model.parameters() if p.requires_grad ) hparams["model/params/non_trainable"] = sum( p.numel() for p in model.parameters() if not p.requires_grad ) hparams["datamodule"] = config["datamodule"] hparams["trainer"] = config["trainer"] if "seed" in config: hparams["seed"] = config["seed"] if "callbacks" in config: hparams["callbacks"] = config["callbacks"] # send hparams to all loggers trainer.logger.log_hyperparams(hparams) def finish( config: DictConfig, model: pl.LightningModule, datamodule: pl.LightningDataModule, trainer: pl.Trainer, callbacks: List[pl.Callback], logger: List[LightningLoggerBase], ) -> None: """Makes sure everything closed properly.""" # without this sweeps with wandb logger might crash! for lg in logger: if isinstance(lg, pl.loggers.wandb.WandbLogger): import wandb wandb.finish() def common_pipeline(config, training=False): torch.set_float32_matmul_precision("high") # Init lightning datamodule log.info(f"Instantiating datamodule <{config.datamodule._target_}>") datamodule: LightningDataModule = instantiate_from_config( cfg=config.datamodule, group="datamodule" ) # Init lightning model as task log.info(f"Instantiating task (pl_module) <{config.task._target_}>") # pl_module: LightningModule = hydra.utils.instantiate(config.task, model=model) pl_module: LightningModule = instantiate_from_config( cfg=config.task, group="task", model=config.model ) # Init lightning loggers logger: List[LightningLoggerBase] = [] if "logger" in config: for _, lg_conf in config.logger.items(): if "_target_" in lg_conf: log.info(f"Instantiating logger <{lg_conf._target_}>") lg = hydra.utils.instantiate(lg_conf) logger.append(lg) # FIXME: a hack to avoid tensorboard saving hparams error at first run if isinstance(lg, TensorBoardLogger): hparams_file = os.path.join( lg.log_dir, lg.NAME_HPARAMS_FILE ) os.makedirs(lg.log_dir, exist_ok=True) open(hparams_file, "w").close() # Init lightning callbacks callbacks: List[Callback] = [] if "callbacks" in config: for cb_name, cb_conf in config.callbacks.items(): # if cb_name == 'model_summary' and not training: # continue if "_target_" in cb_conf: log.info(f"Instantiating callback <{cb_conf._target_}>") callbacks.append(hydra.utils.instantiate(cb_conf)) if config.trainer.get("enable_progress_bar", False): from byprot.utils.callbacks import BetterRichProgressBar callbacks.append(BetterRichProgressBar(leave=False)) return datamodule, pl_module, logger, callbacks def resolve_ckpt_path(ckpt_dir, ckpt_path): # if not absolute path, it should be inferred from current working directory or ckeckpoint directory if not os.path.isabs(ckpt_path): # if ckpt_path is in cwd if os.path.exists( os.path.join(hydra.utils.get_original_cwd(), ckpt_path) ): ckpt_path = os.path.abspath( os.path.join(hydra.utils.get_original_cwd(), ckpt_path) ) # or if ckpt_path is in the predefined checkpoint directory elif os.path.exists(os.path.join(ckpt_dir, ckpt_path)): ckpt_path = os.path.abspath(os.path.join(ckpt_dir, ckpt_path)) return ckpt_path def recursive_to(obj, device): if isinstance(obj, torch.Tensor): if device == "cpu": return obj.cpu() try: return obj.cuda(device=device, non_blocking=True) except RuntimeError: return obj.to(device) elif isinstance(obj, list): return [recursive_to(o, device=device) for o in obj] elif isinstance(obj, tuple): return tuple(recursive_to(o, device=device) for o in obj) elif isinstance(obj, dict): return {k: recursive_to(v, device=device) for k, v in obj.items()} else: return obj def recursive_apply(obj, fn): if isinstance(obj, torch.Tensor): return fn(obj) elif isinstance(obj, list): return [recursive_to(o, fn=fn) for o in obj] elif isinstance(obj, tuple): return tuple(recursive_to(o, fn=fn) for o in obj) elif isinstance(obj, dict): return {k: recursive_to(v, fn=fn) for k, v in obj.items()} else: raise TypeError(type(obj)) def recursive_eval(obj): if isinstance(obj, list): return [recursive_eval(o) for o in obj] elif isinstance(obj, tuple): return tuple(recursive_eval(o) for o in obj) elif isinstance(obj, dict): return {k: recursive_eval(v) for k, v in obj.items()} else: try: _obj = eval(obj) except: pass return _obj def import_modules(models_dir, namespace, excludes=[]): for path in glob.glob(models_dir + "/**", recursive=True)[1:]: if any(e in path for e in excludes): continue file = os.path.split(path)[1] if ( not file.startswith("_") and not file.startswith(".") and (file.endswith(".py") or os.path.isdir(path)) ): module_name = ( file[: file.find(".py")] if file.endswith(".py") else file ) _namespace = path.replace("/", ".") _namespace = _namespace[ _namespace.find(namespace) : _namespace.rfind( "." + module_name ) ] importlib.import_module(_namespace + "." + module_name) def get_git_revision_hash() -> str: from pathlib import Path REPO_DIR = str(Path(__file__).resolve().parents[2]) return ( subprocess.check_output(["git", "-C", REPO_DIR, "rev-parse", "HEAD"]) .decode("ascii") .strip() ) def seed_everything(seed, verbose=False) -> int: """Function that sets seed for pseudo-random number generators in: pytorch, numpy, python.random In addition, sets the following environment variables: - `PL_GLOBAL_SEED`: will be passed to spawned subprocesses (e.g. ddp_spawn backend). - `PL_SEED_WORKERS`: (optional) is set to 1 if ``workers=True``. Args: seed: the integer value seed for global random state in Lightning. If `None`, will read seed from `PL_GLOBAL_SEED` env variable or select it randomly. workers: if set to ``True``, will properly configure all dataloaders passed to the Trainer with a ``worker_init_fn``. If the user already provides such a function for their dataloaders, setting this argument will have no influence. See also: :func:`~pytorch_lightning.utilities.seed.pl_worker_init_function`. """ # using `log.info` instead of `rank_zero_info`, # so users can verify the seed is properly set in distributed training. if verbose: log.info(f"Random seed set to {seed}.") random.seed(seed) np.random.seed(seed) torch.manual_seed(seed) torch.cuda.manual_seed_all(seed) return seed @contextmanager def local_seed(seed, enable=True): if enable: with isolate_rng(): seed_everything(seed) yield else: yield ================================================ FILE: src/byprot/utils/callbacks.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import importlib import operator import os # from pytorch_lightning.utilities.imports import _RICH_AVAILABLE from importlib.util import find_spec from typing import Callable, Dict import pkg_resources import pytorch_lightning as pl import torch from omegaconf import OmegaConf from packaging.version import Version from pkg_resources import DistributionNotFound from pytorch_lightning import callbacks from pytorch_lightning.utilities.rank_zero import ( rank_zero_deprecation, rank_zero_info, rank_zero_warn, ) from rich import reconfigure from torch import Tensor def _package_available(package_name: str) -> bool: """Check if a package is available in your environment. >>> _package_available('os') True >>> _package_available('bla') False """ try: return find_spec(package_name) is not None except ModuleNotFoundError: return False def _compare_version( package: str, op: Callable, version: str, use_base_version: bool = False ) -> bool: """Compare package version with some requirements. >>> _compare_version("torch", operator.ge, "0.1") True >>> _compare_version("does_not_exist", operator.ge, "0.0") False """ try: pkg = importlib.import_module(package) except (ImportError, DistributionNotFound): return False try: if hasattr(pkg, "__version__"): pkg_version = Version(pkg.__version__) else: # try pkg_resources to infer version pkg_version = Version( pkg_resources.get_distribution(package).version ) except TypeError: # this is mocked by Sphinx, so it should return True to generate all summaries return True if use_base_version: pkg_version = Version(pkg_version.base_version) return op(pkg_version, Version(version)) _RICH_AVAILABLE = _package_available("rich") and _compare_version( "rich", operator.ge, "10.2.2" ) if _RICH_AVAILABLE: from pytorch_lightning.callbacks.progress.rich_progress import ( CustomProgress, MetricsTextColumn, RichProgressBar, ) from rich import get_console, reconfigure from rich.text import Text # NOTE[zzx]: modify here to display float in e-format when lower than 1e-3 def float_fmt(float_value): if float_value.is_integer(): return round(float_value) elif float_value < 1e-3: return f"{float_value:.2e}" else: return round(float_value, 3) class BetterMetricsTextColumn(MetricsTextColumn): """A column containing text.""" def render(self, task) -> Text: if ( self._trainer.state.fn != "fit" or self._trainer.sanity_checking or self._trainer.progress_bar_callback.train_progress_bar_id != task.id ): return Text() if self._trainer.training and task.id not in self._tasks: self._tasks[task.id] = "None" if self._renderable_cache: self._tasks[ self._current_task_id ] = self._renderable_cache[self._current_task_id][1] self._current_task_id = task.id if self._trainer.training and task.id != self._current_task_id: return self._tasks[task.id] text = "" for k, v in self._metrics.items(): text += f"{k}: {float_fmt(v) if isinstance(v, float) else v} " return Text(text, justify="left", style=self._style) class BetterRichProgressBar(RichProgressBar): def _init_progress(self, trainer): if self.is_enabled and ( self.progress is None or self._progress_stopped ): self._reset_progress_bar_ids() reconfigure(**self._console_kwargs) self._console = get_console() self._console.clear_live() self._metric_component = BetterMetricsTextColumn( trainer, self.theme.metrics, text_delimiter=",", metrics_format=".2f", ) self.progress = CustomProgress( *self.configure_columns(trainer), self._metric_component, auto_refresh=False, disable=self.is_disabled, console=self._console, ) self.progress.start() # progress has started self._progress_stopped = False class ValEveryNSteps(pl.Callback): def __init__(self, every_n_step): self.every_n_step = every_n_step def on_batch_end(self, trainer, pl_module): if ( trainer.global_step % self.every_n_step == 0 and trainer.global_step != 0 ): trainer.validate() class CheckpointEveryNSteps(pl.Callback): """Save a checkpoint every N steps, instead of Lightning's default that checkpoints based on validation loss.""" def __init__( self, save_step_frequency, prefix="N-Step-Checkpoint", use_modelcheckpoint_filename=False, ): """ Args: save_step_frequency: how often to save in steps prefix: add a prefix to the name, only used if use_modelcheckpoint_filename=False use_modelcheckpoint_filename: just use the ModelCheckpoint callback's default filename, don't use ours. """ self.save_step_frequency = save_step_frequency self.prefix = prefix self.use_modelcheckpoint_filename = use_modelcheckpoint_filename def on_batch_end(self, trainer: pl.Trainer, _): """Check if we should save a checkpoint after every train batch.""" epoch = trainer.current_epoch global_step = trainer.global_step if global_step % self.save_step_frequency == 0: if self.use_modelcheckpoint_filename: filename = trainer.checkpoint_callback.filename else: filename = ( f"{self.prefix}_epoch={epoch}_step={global_step}.ckpt" ) ckpt_path = os.path.join( trainer.checkpoint_callback.dirpath, filename ) trainer.save_checkpoint(ckpt_path) class ModelCheckpoint(callbacks.ModelCheckpoint): CHECKPOINT_NAME_BEST = "best" # @classmethod def _format_checkpoint_name( self, filename, metrics: Dict[str, Tensor], prefix: str = "", auto_insert_metric_name: bool = True, ) -> str: filename = super()._format_checkpoint_name( filename, metrics, prefix, auto_insert_metric_name ) filename = filename.replace( "/", "_" ) # avoid '/' in filename unexpectedly creates folder return filename def on_train_start( self, trainer: "pl.Trainer", pl_module: "pl.LightningModule" ) -> None: super().on_train_start(trainer, pl_module) trainer.callback_metrics[self.monitor] = self.best_model_score def _update_best_and_save( self, current: Tensor, trainer: "pl.Trainer", monitor_candidates: Dict[str, Tensor], ) -> None: k = ( len(self.best_k_models) + 1 if self.save_top_k == -1 else self.save_top_k ) del_filepath = None if len(self.best_k_models) == k and k > 0: del_filepath = self.kth_best_model_path self.best_k_models.pop(del_filepath) # do not save nan, replace with +/- inf if isinstance(current, Tensor) and torch.isnan(current): current = torch.tensor( float("inf" if self.mode == "min" else "-inf"), device=current.device, ) filepath = self._get_metric_interpolated_filepath_name( monitor_candidates, trainer, del_filepath ) # save the current score self.current_score = current self.best_k_models[filepath] = current if len(self.best_k_models) == k: # monitor dict has reached k elements _op = max if self.mode == "min" else min self.kth_best_model_path = _op(self.best_k_models, key=self.best_k_models.get) # type: ignore[arg-type] self.kth_value = self.best_k_models[self.kth_best_model_path] _op = min if self.mode == "min" else max self.best_model_path = _op(self.best_k_models, key=self.best_k_models.get) # type: ignore[arg-type] self.best_model_score = self.best_k_models[self.best_model_path] if self.verbose: epoch = monitor_candidates["epoch"] step = monitor_candidates["step"] rank_zero_info( f"Epoch {epoch:d}, global step {step:d}: {self.monitor!r} reached {current:0.5f}" f" (best {self.best_model_score:0.5f}), saving model to {filepath!r} as top {k}" ) self._save_checkpoint(trainer, filepath) # update best checkpoint if self.best_model_path == filepath: self._save_checkpoint( trainer, self.format_checkpoint_name( monitor_candidates, self.CHECKPOINT_NAME_BEST ), ) if del_filepath is not None and filepath != del_filepath: trainer.strategy.remove_checkpoint(del_filepath) def _save_last_checkpoint( self, trainer: "pl.Trainer", monitor_candidates: Dict[str, Tensor] ) -> None: if not self.save_last: return filepath = self.format_checkpoint_name( monitor_candidates, self.CHECKPOINT_NAME_LAST ) # set the last model path before saving because it will be part of the state. previous, self.last_model_path = self.last_model_path, filepath self._save_checkpoint(trainer, filepath) if previous and previous != filepath: trainer.strategy.remove_checkpoint(previous) class TrackNorms(pl.Callback): # TODO do callbacks happen before or after the method in the main LightningModule? # @rank_zero_only # needed? def on_after_training_step( self, batch, batch_idx, trainer: pl.Trainer, pl_module: pl.LightningModule, ): # Log extra metrics metrics = {} if hasattr(pl_module, "_grad_norms"): metrics.update(pl_module._grad_norms) self.log_dict( metrics, on_step=True, on_epoch=False, prog_bar=False, add_dataloader_idx=False, sync_dist=True, ) def on_after_backward( self, trainer: pl.Trainer, pl_module: pl.LightningModule ): # example to inspect gradient information in tensorboard if OmegaConf.select( trainer.hparams, "trainer.track_grad_norms" ): # TODO dot notation should work with omegaconf? norms = {} for name, p in pl_module.named_parameters(): if p.grad is None: continue # param_norm = float(p.grad.data.norm(norm_type)) param_norm = torch.mean(p.grad.data**2) norms[f"grad_norm.{name}"] = param_norm pl_module._grad_norms = norms ================================================ FILE: src/byprot/utils/config.py ================================================ import importlib import logging import os from contextlib import contextmanager from copy import deepcopy from pathlib import Path from typing import Any, List, Sequence import hydra from omegaconf import DictConfig, OmegaConf from pytorch_lightning.utilities import rank_zero_only def get_logger(name=__name__) -> logging.Logger: """Initializes multi-GPU-friendly python command line logger.""" logger = logging.getLogger(name) # this ensures all logging levels get marked with the rank zero decorator # otherwise logs would get multiplied for each GPU process in multi-GPU setup for level in ( "debug", "info", "warning", "error", "exception", "fatal", "critical", ): setattr(logger, level, rank_zero_only(getattr(logger, level))) return logger log = get_logger(__name__) def make_config(**kwargs): return OmegaConf.structured(kwargs) def compose_config(**kwds): return OmegaConf.create(kwds) def merge_config(default_cfg, override_cfg): if override_cfg is None: return default_cfg return OmegaConf.merge(default_cfg, override_cfg) def load_yaml_config(fpath: str) -> OmegaConf: cfg = OmegaConf.load(fpath) OmegaConf.resolve(cfg) return cfg def parse_cli_override_args(): _overrides = OmegaConf.from_cli() print(_overrides) override_dict = {} for kk, vv in _overrides.items(): key = kk if not kk.startswith("+") else kk[1:] if key not in override_dict: override_dict[key] = vv else: override_dict[key] = merge_config(override_dict[key], vv) overrides = compose_config(**override_dict) return overrides def resolve_experiment_config(config: DictConfig): # Load train config from existing Hydra experiment if config.experiment_path is not None: config.experiment_path = hydra.utils.to_absolute_path( config.experiment_path ) experiment_config = OmegaConf.load( os.path.join(config.experiment_path, ".hydra", "config.yaml") ) from omegaconf import open_dict with open_dict(config): config.datamodule = experiment_config.datamodule config.model = experiment_config.model config.task = experiment_config.task config.train = experiment_config.train config.paths = experiment_config.paths config.name = experiment_config.name config.trainer = experiment_config.trainer config.paths.log_dir = config.experiment_path # deal with override args cli_overrides = parse_cli_override_args() config = merge_config(config, cli_overrides) print(cli_overrides) # chagne current directory os.chdir(config.paths.log_dir) return config def _convert_target_to_string(t: Any) -> Any: if callable(t): return f"{t.__module__}.{t.__qualname__}" else: return t def get_obj_from_str(string, reload=False): module, cls = string.rsplit(".", 1) if reload: module_imp = importlib.import_module(module) importlib.reload(module_imp) return getattr(importlib.import_module(module, package=None), cls) def instantiate_from_config(cfg: OmegaConf, group=None, **override_kwargs): if "_target_" not in cfg: raise KeyError("Expected key `_target_` to instantiate.") if group is None: return hydra.utils.instantiate(cfg, **override_kwargs) else: from . import registry _target_ = cfg.pop("_target_") target = registry.get_module(group_name=group, module_name=_target_) if target is None: raise KeyError( f"{_target_} is not a registered <{group}> class [{registry.get_registered_modules(group)}]." ) target = _convert_target_to_string(target) log.info(f" Resolving {group} <{_target_}> -> <{target}>") target_cls = get_obj_from_str(target) try: return target_cls(**cfg, **override_kwargs) except: cfg = merge_config(cfg, override_kwargs) return target_cls(cfg) def instantiate_from_config2(config): if config is None: return None if not "target" in config: raise KeyError("Expected key `target` to instantiate.") module, cls = config["target"].rsplit(".", 1) cls = getattr(importlib.import_module(module, package=None), cls) return cls(**config.get("params", dict())) ================================================ FILE: src/byprot/utils/io.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # Copyright (c) Facebook, Inc. and its affiliates. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. import json import math from typing import List, Sequence, Tuple import biotite.structure import numpy as np import torch import torch.nn as nn import torch.nn.functional as F import torch.utils.data as data from biotite.sequence import ProteinSequence from biotite.structure import filter_amino_acids, filter_backbone, get_chains from biotite.structure.io import pdb, pdbx from biotite.structure.residues import get_residues from scipy.spatial import transform from scipy.stats import special_ortho_group def filter_backbone2(array): """Filter all peptide backbone atoms of one array. This includes the "N", "CA" and "C" atoms of amino acids. Parameters ---------- array : AtomArray or AtomArrayStack The array to be filtered. Returns ------- filter : ndarray, dtype=bool This array is `True` for all indices in `array`, where the atom as an backbone atom. """ return ( (array.atom_name == "N") | (array.atom_name == "CA") | (array.atom_name == "C") | (array.atom_name == "O") ) & filter_amino_acids(array) def load_structure(fpath, chain=None): """ Args: fpath: filepath to either pdb or cif file chain: the chain id or list of chain ids to load Returns: biotite.structure.AtomArray """ if fpath.endswith("cif"): with open(fpath) as fin: pdbxf = pdbx.PDBxFile.read(fin) structure = pdbx.get_structure(pdbxf, model=1) elif fpath.endswith("pdb"): with open(fpath) as fin: pdbf = pdb.PDBFile.read(fin) structure = pdb.get_structure(pdbf, model=1) # bbmask = filter_backbone(structure) bbmask = filter_backbone2(structure) structure = structure[bbmask] all_chains = get_chains(structure) if len(all_chains) == 0: raise ValueError("No chains found in the input file.") if chain is None: chain_ids = all_chains elif isinstance(chain, list): chain_ids = chain else: chain_ids = [chain] for chain in chain_ids: if chain not in all_chains: raise ValueError(f"Chain {chain} not found in input file") chain_filter = [a.chain_id in chain_ids for a in structure] structure = structure[chain_filter] return structure def extract_coords_from_structure( structure: biotite.structure.AtomArray, atoms=["N", "CA", "C"] ): """ Args: structure: An instance of biotite AtomArray atoms: default ["N", "CA", "C"] Returns: Tuple (coords, seq) - coords is an L x 3 x 3 array for N, CA, C coordinates - seq is the extracted sequence """ # coords = get_atom_coords_residuewise(["N", "CA", "C"], structure) coords = get_atom_coords_residuewise(atoms, structure) residue_identities = get_residues(structure)[1] seq = "".join( [ProteinSequence.convert_letter_3to1(r) for r in residue_identities] ) return coords, seq def load_coords(fpath, chain, atoms=["N", "CA", "C", "O"]): """ Args: fpath: filepath to either pdb or cif file chain: the chain id Returns: Tuple (coords, seq) - coords is an L x 3 x 3 array for N, CA, C coordinates - seq is the extracted sequence """ structure = load_structure(fpath, chain) return extract_coords_from_structure(structure, atoms=atoms) def get_atom_coords_residuewise( atoms: List[str], struct: biotite.structure.AtomArray ): """Example for atoms argument: ["N", "CA", "C"]""" def filterfn(s, axis=None): filters = np.stack([s.atom_name == name for name in atoms], axis=1) sum = filters.sum(0) if not np.all(sum <= np.ones(filters.shape[1])): raise RuntimeError("structure has multiple atoms with same name") index = filters.argmax(0) coords = s[index].coord coords[sum == 0] = float("nan") return coords return biotite.structure.apply_residue_wise(struct, struct, filterfn) def save_pdb(path, coords, seq): pass ================================================ FILE: src/byprot/utils/logger.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from pathlib import Path from typing import ( TYPE_CHECKING, Any, Dict, List, Literal, Mapping, Optional, Union, ) from lightning.fabric.utilities.types import _PATH from lightning.pytorch.loggers.logger import Logger from lightning.pytorch.loggers.wandb import WandbLogger if TYPE_CHECKING: from wandb import Artifact from wandb.sdk.lib import RunDisabled from wandb.wandb_run import Run import os from lightning.pytorch.callbacks.model_checkpoint import ModelCheckpoint from lightning.pytorch.utilities.exceptions import MisconfigurationException class ByProtWandbLogger(WandbLogger): def __init__( self, name: Optional[str] = None, save_dir: _PATH = ".", version: Optional[str] = None, offline: bool = False, dir: Optional[_PATH] = None, id: Optional[str] = None, anonymous: Optional[bool] = None, project: Optional[str] = None, log_model: Union[Literal["all"], bool] = False, experiment: Union["Run", "RunDisabled", None] = None, prefix: str = "", checkpoint_name: Optional[str] = None, **kwargs: Any, ) -> None: # HIGHLIGHT: Remove this check below # if not _WANDB_AVAILABLE: # raise ModuleNotFoundError(str(_WANDB_AVAILABLE)) if offline and log_model: raise MisconfigurationException( f"Providing log_model={log_model} and offline={offline} is an invalid configuration" " since model checkpoints cannot be uploaded in offline mode.\n" "Hint: Set `offline=False` to log your model." ) # super().__init__() Logger.__init__(self) self._offline = offline self._log_model = log_model self._prefix = prefix self._experiment = experiment self._logged_model_time: Dict[str, float] = {} self._checkpoint_callback: Optional[ModelCheckpoint] = None # paths are processed as strings if save_dir is not None: save_dir = os.fspath(save_dir) elif dir is not None: dir = os.fspath(dir) project = project or os.environ.get("WANDB_PROJECT", "lightning_logs") # set wandb init arguments self._wandb_init: Dict[str, Any] = { "name": name, "project": project, "dir": save_dir or dir, "id": version or id, "resume": "allow", "anonymous": ("allow" if anonymous else None), } self._wandb_init.update(**kwargs) # extract parameters self._project = self._wandb_init.get("project") self._save_dir = self._wandb_init.get("dir") self._name = self._wandb_init.get("name") self._id = self._wandb_init.get("id") self._checkpoint_name = checkpoint_name ================================================ FILE: src/byprot/utils/lr_scheduler.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import torch from torch.optim import Optimizer from torch.optim.lr_scheduler import LambdaLR def get_scheduler(cfg, optimizer): if cfg.type is None: return BlackHole() elif cfg.type == "plateau": return ( torch.optim.lr_scheduler.ReduceLROnPlateau( optimizer, mode=cfg.mode, factor=cfg.factor, patience=cfg.patience, min_lr=cfg.min_lr, ), {"monitor": "val/loss", "interval": "epoch"}, ) elif cfg.type == "noam": return ( NoamScheduler( optimizer, lr=cfg.lr, warmup_steps=cfg.warmup_steps, model_size=cfg.model_size, warmup_init_lr=cfg.get("warmup_init_lr"), ), {"frequency": 1, "interval": "step"}, ) elif cfg.type == "polynomial": return ( PolyNomialLRScheduler( optimizer, total_steps=cfg.total_steps, warmup_steps=cfg.warmup_steps, lr=cfg.lr, lr_end=cfg.lr_end, warmup_init_lr=cfg.warmup_init_lr, power=cfg.power, ), {"frequency": 1, "interval": "step"}, ) elif cfg.type == "multistep": return torch.optim.lr_scheduler.MultiStepLR( optimizer, milestones=cfg.milestones, gamma=cfg.gamma, ) elif cfg.type == "exp": return torch.optim.lr_scheduler.ExponentialLR( optimizer, gamma=cfg.gamma, ) elif cfg.type is None: return BlackHole() else: raise NotImplementedError("Scheduler not supported: %s" % cfg.type) class BlackHole(object): def __setattr__(self, name, value): pass def __call__(self, *args, **kwargs): return self def __getattr__(self, name): return self def inverse_sqrt_lr_schedule( step, warmup_steps, warmup_init_lr, lr_step, decay_step ): if step == 0: step = 1 if step < warmup_steps: return warmup_init_lr + lr_step * step else: return decay_step * step**-0.5 class InverseSqrtLRScheduler(LambdaLR): def __init__( self, optimizer: Optimizer, warmup_steps: int = 0, lr: float = 5e-04, warmup_init_lr: float = 1e-07, ) -> None: self.warmup_init_lr = warmup_init_lr self.warmup_steps = warmup_steps self.lr_step = (lr - warmup_init_lr) / warmup_steps self.decay_step = lr * warmup_steps**0.5 def lr_lambda(step): return ( inverse_sqrt_lr_schedule( step, warmup_steps, warmup_init_lr, self.lr_step, self.decay_step, ) / lr ) super().__init__(optimizer, lr_lambda=lr_lambda) def noam_lr_schedule(step, warmup_steps, factor, model_size): if step == 0: step = 1 return factor * ( model_size ** (-0.5) * min(step ** (-0.5), step * warmup_steps ** (-1.5)) ) class NoamScheduler(LambdaLR): def __init__( self, optimizer: Optimizer, lr, warmup_init_lr, model_size: int = 128, warmup_steps: int = 0, factor: int = 2, ) -> None: # dummy_lr = self.base_lrs[0] def lr_lambda(step): return ( noam_lr_schedule(step, warmup_steps, factor, model_size) / lr ) super().__init__(optimizer, lr_lambda=lr_lambda) def polynomial_lr_schedule( step, total_steps, warmup_steps, warmup_init_lr, lr, lr_end, power ): if step < warmup_steps: return warmup_init_lr + (lr - warmup_init_lr) * step / warmup_steps elif step > total_steps: return lr_end else: return ( lr_end + (lr - lr_end) * (1 - (step - warmup_steps) / (total_steps - warmup_steps)) ** power ) class PolyNomialLRScheduler(LambdaLR): def __init__( self, optimizer: Optimizer, total_steps: int = 1000, warmup_steps: int = 0, lr: float = 5e-04, lr_end: float = 1e-07, warmup_init_lr: float = 1e-07, power: float = 1.0, ) -> None: self.warmup_init_lr = warmup_init_lr self.warmup_steps = warmup_steps def lr_lambda(step): return ( polynomial_lr_schedule( step, total_steps, warmup_steps, warmup_init_lr, lr, lr_end, power, ) / lr ) super().__init__(optimizer, lr_lambda=lr_lambda) ================================================ FILE: src/byprot/utils/optim.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import torch from torch.optim.adamw import adamw try: import deepspeed from deepspeed.ops.adam import DeepSpeedCPUAdam, FusedAdam except: pass def get_optimizer(cfg, params): if cfg.type == "adam": return torch.optim.Adam( params=params, lr=cfg.lr, weight_decay=cfg.weight_decay, betas=( cfg.beta1, cfg.beta2, ), ) elif cfg.type == "adamw": return AdamW( params=params, lr=cfg.lr, weight_decay=cfg.weight_decay, betas=cfg.betas, ) elif cfg.type == "fusedadam": return FusedAdam( params=params, lr=cfg.lr, weight_decay=cfg.weight_decay, betas=cfg.betas, ) # deepspeed.ops.op_builder.CPUAdamBuilder().load() # return DeepSpeedCPUAdam( # model_params=params, # lr=cfg.lr, # weight_decay=cfg.weight_decay, # betas=cfg.betas, # ) else: raise NotImplementedError("Optimizer not supported: %s" % cfg.type) class AdamW(torch.optim.AdamW): @torch.no_grad() def step(self, closure=None): """Performs a single optimization step. Args: closure (callable, optional): A closure that reevaluates the model and returns the loss. """ self._cuda_graph_capture_health_check() loss = None if closure is not None: with torch.enable_grad(): loss = closure() for group in self.param_groups: params_with_grad = [] grads = [] exp_avgs = [] exp_avg_sqs = [] max_exp_avg_sqs = [] state_steps = [] amsgrad = group["amsgrad"] beta1, beta2 = group["betas"] for p in group["params"]: if p.grad is None: continue params_with_grad.append(p) if p.grad.is_sparse: raise RuntimeError( "AdamW does not support sparse gradients" ) grads.append(p.grad) state = self.state[p] # State initialization if len(state) == 0: state["step"] = ( torch.zeros((1,), dtype=torch.float, device=p.device) if self.defaults["capturable"] else torch.tensor(0.0) ) # Exponential moving average of gradient values state["exp_avg"] = torch.zeros_like( p, memory_format=torch.preserve_format ) # Exponential moving average of squared gradient values state["exp_avg_sq"] = torch.zeros_like( p, memory_format=torch.preserve_format ) if amsgrad: # Maintains max of all exp. moving avg. of sq. grad. values state["max_exp_avg_sq"] = torch.zeros_like( p, memory_format=torch.preserve_format ) exp_avgs.append(state["exp_avg"]) exp_avg_sqs.append(state["exp_avg_sq"]) if amsgrad: max_exp_avg_sqs.append(state["max_exp_avg_sq"]) state_steps.append(state["step"].cpu()) adamw( params_with_grad, grads, exp_avgs, exp_avg_sqs, max_exp_avg_sqs, state_steps, amsgrad=amsgrad, beta1=beta1, beta2=beta2, lr=group["lr"], weight_decay=group["weight_decay"], eps=group["eps"], maximize=group["maximize"], foreach=group["foreach"], capturable=group["capturable"], ) return loss ================================================ FILE: src/byprot/utils/protein/__init__.py ================================================ ================================================ FILE: src/byprot/utils/protein/all_atom.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Utilities for calculating all atom representations. Code adapted from OpenFold. """ import torch from openfold.data import data_transforms from openfold.np import residue_constants from openfold.utils import rigid_utils as ru from byprot.datamodules.pdb_dataset import utils as du Rigid = ru.Rigid Rotation = ru.Rotation # Residue Constants from OpenFold/AlphaFold2. IDEALIZED_POS = torch.tensor( residue_constants.restype_atom14_rigid_group_positions ) DEFAULT_FRAMES = torch.tensor( residue_constants.restype_rigid_group_default_frame ) ATOM_MASK = torch.tensor(residue_constants.restype_atom14_mask) GROUP_IDX = torch.tensor(residue_constants.restype_atom14_to_rigid_group) def to_atom37(trans, rots): num_batch, num_res, _ = trans.shape final_atom37 = compute_backbone( du.create_rigid(rots, trans), torch.zeros(num_batch, num_res, 2, device=trans.device), )[0] return final_atom37 def torsion_angles_to_frames( r: Rigid, # type: ignore [valid-type] alpha: torch.Tensor, aatype: torch.Tensor, ): """Conversion method of torsion angles to frames provided the backbone. Args: r: Backbone rigid groups. alpha: Torsion angles. aatype: residue types. Returns: All 8 frames corresponding to each torsion frame. """ # [*, N, 8, 4, 4] with torch.no_grad(): default_4x4 = DEFAULT_FRAMES.to(aatype.device)[aatype, ...] # type: ignore [attr-defined] # [*, N, 8] transformations, i.e. # One [*, N, 8, 3, 3] rotation matrix and # One [*, N, 8, 3] translation matrix default_r = r.from_tensor_4x4(default_4x4) # type: ignore [attr-defined] bb_rot = alpha.new_zeros((*((1,) * len(alpha.shape[:-1])), 2)) bb_rot[..., 1] = 1 # [*, N, 8, 2] alpha = torch.cat( [bb_rot.expand(*alpha.shape[:-2], -1, -1), alpha], dim=-2 ) # [*, N, 8, 3, 3] # Produces rotation matrices of the form: # [ # [1, 0 , 0 ], # [0, a_2,-a_1], # [0, a_1, a_2] # ] # This follows the original code rather than the supplement, which uses # different indices. all_rots = alpha.new_zeros(default_r.get_rots().get_rot_mats().shape) all_rots[..., 0, 0] = 1 all_rots[..., 1, 1] = alpha[..., 1] all_rots[..., 1, 2] = -alpha[..., 0] all_rots[..., 2, 1:] = alpha all_rots = Rigid(Rotation(rot_mats=all_rots), None) all_frames = default_r.compose(all_rots) chi2_frame_to_frame = all_frames[..., 5] chi3_frame_to_frame = all_frames[..., 6] chi4_frame_to_frame = all_frames[..., 7] chi1_frame_to_bb = all_frames[..., 4] chi2_frame_to_bb = chi1_frame_to_bb.compose(chi2_frame_to_frame) chi3_frame_to_bb = chi2_frame_to_bb.compose(chi3_frame_to_frame) chi4_frame_to_bb = chi3_frame_to_bb.compose(chi4_frame_to_frame) all_frames_to_bb = Rigid.cat( [ all_frames[..., :5], chi2_frame_to_bb.unsqueeze(-1), chi3_frame_to_bb.unsqueeze(-1), chi4_frame_to_bb.unsqueeze(-1), ], dim=-1, ) all_frames_to_global = r[..., None].compose(all_frames_to_bb) # type: ignore [index] return all_frames_to_global def prot_to_torsion_angles(aatype, atom37, atom37_mask): """Calculate torsion angle features from protein features.""" prot_feats = { "aatype": aatype, "all_atom_positions": atom37, "all_atom_mask": atom37_mask, } torsion_angles_feats = data_transforms.atom37_to_torsion_angles()( prot_feats ) torsion_angles = torsion_angles_feats["torsion_angles_sin_cos"] torsion_mask = torsion_angles_feats["torsion_angles_mask"] return torsion_angles, torsion_mask def frames_to_atom14_pos( r: Rigid, # type: ignore [valid-type] aatype: torch.Tensor, ): """Convert frames to their idealized all atom representation. Args: r: All rigid groups. [..., N, 8, 3] aatype: Residue types. [..., N] Returns: """ with torch.no_grad(): group_mask = GROUP_IDX.to(aatype.device)[aatype, ...] group_mask = torch.nn.functional.one_hot( group_mask, num_classes=DEFAULT_FRAMES.shape[-3], ) frame_atom_mask = ATOM_MASK.to(aatype.device)[aatype, ...].unsqueeze(-1) # type: ignore [attr-defined] frame_null_pos = IDEALIZED_POS.to(aatype.device)[aatype, ...] # type: ignore [attr-defined] # [*, N, 14, 8] t_atoms_to_global = r[..., None, :] * group_mask # type: ignore [index] # [*, N, 14] t_atoms_to_global = t_atoms_to_global.map_tensor_fn( lambda x: torch.sum(x, dim=-1) ) # [*, N, 14, 3] pred_positions = t_atoms_to_global.apply(frame_null_pos) pred_positions = pred_positions * frame_atom_mask return pred_positions def compute_backbone(bb_rigids, psi_torsions): torsion_angles = torch.tile( psi_torsions[..., None, :], tuple([1 for _ in range(len(bb_rigids.shape))]) + (7, 1), ) aatype = torch.zeros(bb_rigids.shape, device=bb_rigids.device).long() # aatype = torch.zeros(bb_rigids.shape).long().to(bb_rigids.device) all_frames = torsion_angles_to_frames( bb_rigids, torsion_angles, aatype, ) atom14_pos = frames_to_atom14_pos(all_frames, aatype) atom37_bb_pos = torch.zeros( bb_rigids.shape + (37, 3), device=bb_rigids.device ) # atom14 bb order = ['N', 'CA', 'C', 'O', 'CB'] # atom37 bb order = ['N', 'CA', 'C', 'CB', 'O'] atom37_bb_pos[..., :3, :] = atom14_pos[..., :3, :] atom37_bb_pos[..., 3, :] = atom14_pos[..., 4, :] atom37_bb_pos[..., 4, :] = atom14_pos[..., 3, :] atom37_mask = torch.any(atom37_bb_pos, axis=-1) return atom37_bb_pos, atom37_mask, aatype, atom14_pos def calculate_neighbor_angles(R_ac, R_ab): """Calculate angles between atoms c <- a -> b. Parameters ---------- R_ac: Tensor, shape = (N,3) Vector from atom a to c. R_ab: Tensor, shape = (N,3) Vector from atom a to b. Returns ------- angle_cab: Tensor, shape = (N,) Angle between atoms c <- a -> b. """ # cos(alpha) = (u * v) / (|u|*|v|) x = torch.sum(R_ac * R_ab, dim=1) # shape = (N,) # sin(alpha) = |u x v| / (|u|*|v|) y = torch.cross(R_ac, R_ab).norm(dim=-1) # shape = (N,) # avoid that for y == (0,0,0) the gradient wrt. y becomes NaN y = torch.max(y, torch.tensor(1e-9)) angle = torch.atan2(y, x) return angle def vector_projection(R_ab, P_n): """Project the vector R_ab onto a plane with normal vector P_n. Parameters ---------- R_ab: Tensor, shape = (N,3) Vector from atom a to b. P_n: Tensor, shape = (N,3) Normal vector of a plane onto which to project R_ab. Returns ------- R_ab_proj: Tensor, shape = (N,3) Projected vector (orthogonal to P_n). """ a_x_b = torch.sum(R_ab * P_n, dim=-1) b_x_b = torch.sum(P_n * P_n, dim=-1) return R_ab - (a_x_b / b_x_b)[:, None] * P_n def transrot_to_atom37(transrot_traj, res_mask): atom37_traj = [] res_mask = res_mask.detach().cpu() num_batch = res_mask.shape[0] for trans, rots in transrot_traj: rigids = du.create_rigid(rots, trans) atom37 = compute_backbone( rigids, torch.zeros( trans.shape[0], trans.shape[1], 2, device=trans.device ), )[0] atom37 = atom37.detach().cpu() batch_atom37 = [] for i in range(num_batch): batch_atom37.append(du.adjust_oxygen_pos(atom37[i], res_mask[i])) atom37_traj.append(torch.stack(batch_atom37)) return atom37_traj def atom37_from_trans_rot(trans, rots, res_mask): rigids = du.create_rigid(rots, trans) atom37 = compute_backbone( rigids, torch.zeros(trans.shape[0], trans.shape[1], 2, device=trans.device), )[0] atom37 = atom37.detach().cpu() batch_atom37 = [] num_batch = res_mask.shape[0] for i in range(num_batch): batch_atom37.append(adjust_oxygen_pos(atom37[i], res_mask[i])) return torch.stack(batch_atom37) def process_trans_rot_traj(trans_traj, rots_traj, res_mask): res_mask = res_mask.detach().cpu() atom37_traj = [ atom37_from_trans_rot(trans, rots, res_mask) for trans, rots in zip(trans_traj, rots_traj) ] atom37_traj = torch.stack(atom37_traj).swapaxes(0, 1) return atom37_traj def adjust_oxygen_pos( atom_37: torch.Tensor, pos_is_known=None ) -> torch.Tensor: """Imputes the position of the oxygen atom on the backbone by using adjacent frame information. Specifically, we say that the oxygen atom is in the plane created by the Calpha and C from the current frame and the nitrogen of the next frame. The oxygen is then placed c_o_bond_length Angstrom away from the C in the current frame in the direction away from the Ca-C-N triangle. For cases where the next frame is not available, for example we are at the C-terminus or the next frame is not available in the data then we place the oxygen in the same plane as the N-Ca-C of the current frame and pointing in the same direction as the average of the Ca->C and Ca->N vectors. Args: atom_37 (torch.Tensor): (N, 37, 3) tensor of positions of the backbone atoms in atom_37 ordering which is ['N', 'CA', 'C', 'CB', 'O', ...] pos_is_known (torch.Tensor): (N,) mask for known residues. """ N = atom_37.shape[0] assert atom_37.shape == (N, 37, 3) # Get vectors to Carbonly from Carbon alpha and N of next residue. (N-1, 3) # Note that the (N,) ordering is from N-terminal to C-terminal. # Calpha to carbonyl both in the current frame. calpha_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[:-1, 1, :] ) / ( torch.norm( atom_37[:-1, 2, :] - atom_37[:-1, 1, :], keepdim=True, dim=1 ) + 1e-7 ) # For masked positions, they are all 0 and so we add 1e-7 to avoid division by 0. # The positions are in Angstroms and so are on the order ~1 so 1e-7 is an insignificant change. # Nitrogen of the next frame to carbonyl of the current frame. nitrogen_to_carbonyl: torch.Tensor = ( atom_37[:-1, 2, :] - atom_37[1:, 0, :] ) / ( torch.norm(atom_37[:-1, 2, :] - atom_37[1:, 0, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen: torch.Tensor = ( calpha_to_carbonyl + nitrogen_to_carbonyl ) # (N-1, 3) carbonyl_to_oxygen = carbonyl_to_oxygen / ( torch.norm(carbonyl_to_oxygen, dim=1, keepdim=True) + 1e-7 ) atom_37[:-1, 4, :] = atom_37[:-1, 2, :] + carbonyl_to_oxygen * 1.23 # Now we deal with frames for which there is no next frame available. # Calpha to carbonyl both in the current frame. (N, 3) calpha_to_carbonyl_term: torch.Tensor = ( atom_37[:, 2, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 2, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) # Calpha to nitrogen both in the current frame. (N, 3) calpha_to_nitrogen_term: torch.Tensor = ( atom_37[:, 0, :] - atom_37[:, 1, :] ) / ( torch.norm(atom_37[:, 0, :] - atom_37[:, 1, :], keepdim=True, dim=1) + 1e-7 ) carbonyl_to_oxygen_term: torch.Tensor = ( calpha_to_carbonyl_term + calpha_to_nitrogen_term ) # (N, 3) carbonyl_to_oxygen_term = carbonyl_to_oxygen_term / ( torch.norm(carbonyl_to_oxygen_term, dim=1, keepdim=True) + 1e-7 ) # Create a mask that is 1 when the next residue is not available either # due to this frame being the C-terminus or the next residue is not # known due to pos_is_known being false. if pos_is_known is None: pos_is_known = torch.ones( (atom_37.shape[0],), dtype=torch.int64, device=atom_37.device ) next_res_gone: torch.Tensor = ~pos_is_known.bool() # (N,) next_res_gone = torch.cat( [next_res_gone, torch.ones((1,), device=pos_is_known.device).bool()], dim=0, ) # (N+1, ) next_res_gone = next_res_gone[1:] # (N,) atom_37[next_res_gone, 4, :] = ( atom_37[next_res_gone, 2, :] + carbonyl_to_oxygen_term[next_res_gone, :] * 1.23 ) return atom_37 ================================================ FILE: src/byprot/utils/protein/evaluator_dplm2.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/jasonkyuyim/multiflow/blob/main/LICENSE # # This modified file is released under the same license. """This script is highly inspired by MultiFlow (https://github.com/jasonkyuyim/multiflow).""" import os import re import shutil import time import warnings from copy import deepcopy from glob import glob import hydra import numpy as np import pandas as pd import torch import torch.distributed as dist import torch.utils import tree from biotite.sequence.io import fasta from omegaconf import DictConfig, OmegaConf from pytorch_lightning import Trainer from tqdm.auto import tqdm from byprot.datamodules.pdb_dataset import protein as protein_utils from byprot.datamodules.pdb_dataset import utils as du from byprot.datamodules.pdb_dataset.pdb_datamodule import ( PdbDataset, collate_fn, ) from byprot.models.utils import get_struct_tokenizer from byprot.utils import load_from_experiment, recursive_to, seed_everything from byprot.utils.protein import folding_model from byprot.utils.protein import utils as eu from byprot.utils.protein.residue_constants import restypes, restypes_with_x warnings.filterwarnings("ignore") torch.set_float32_matmul_precision("high") log = eu.get_pylogger(__name__) def load_from_pdb(pdb_path, process_chain=PdbDataset.process_chain): raw_chain_feats, metadata = du.process_pdb_file(pdb_path) chain_feats = process_chain(raw_chain_feats) chain_feats["pdb_name"] = metadata["pdb_name"] return chain_feats def load_pdb_by_name(pdb_name, metadata_df): row = metadata_df[metadata_df.pdb_name == pdb_name].iloc[0] try: raw_chain_feats = du.read_pkl(row.processed_path) chain_feats = PdbDataset.process_chain(raw_chain_feats) except: chain_feats = load_from_pdb(row.pdb_path) return chain_feats class EvalRunner: def __init__(self, cfg: DictConfig): """Initialize sampler. Args: cfg: inference config. """ # Read in checkpoint. if cfg.inference.task.startswith("unconditional"): ckpt_path = cfg.inference.input_fasta_dir elif cfg.inference.task == "forward_folding": ckpt_path = cfg.inference.input_fasta_dir elif cfg.inference.task == "inverse_folding": ckpt_path = cfg.inference.input_fasta_dir elif ( cfg.inference.task == "reconstruction" or cfg.inference.task == "reconstruction_continuous" ): ckpt_path = cfg.inference.input_pdb_folder else: raise ValueError(f"Unknown task {cfg.inference.task}") self._cfg = cfg self._infer_cfg = cfg.inference self._rng = np.random.default_rng(self._infer_cfg.seed) # Set-up output directory only on rank 0 self._inference_dir = None local_rank = os.environ.get("LOCAL_RANK", 0) if local_rank == 0: inference_dir = self.setup_inference_dir(ckpt_path) self.__inference_dir = inference_dir # self._exp_cfg.inference_dir = inference_dir config_path = os.path.join(inference_dir, "config.yaml") with open(config_path, "w") as f: OmegaConf.save(config=self._cfg, f=f) log.info(f"Saving inference config to {config_path}") self._device_id = 0 self._device = None self._folding_model = None self._folding_cfg = self._infer_cfg.folding self._struct_tokenizer = None self.aatype_pred_num_tokens = 21 # cfg.model.aatype_pred_num_tokens self.aatype_corrupt = False self.metadata = self.load_metadata(self._infer_cfg.metadata) def load_metadata(self, cfg): if os.path.exists(cfg.csv_path): df = pd.read_csv(cfg.csv_path) for column in ["processed_path", "raw_path", "pdb_path"]: if column in df: df[column] = df[column].map( lambda x: os.path.join(cfg.data_dir, x) ) return df else: print(f"Metadata file not found in the {cfg.csv_path}") return None @property def device_id(self): if self._device_id is None: self._device_id = torch.cuda.current_device() return self._device_id @property def device(self): if self._device is None: self._device = f"cuda:{self.device_id}" return self._device @property def folding_model(self): if self._folding_model is None: self._folding_model = folding_model.FoldingModel( self._folding_cfg, device_id=self.device_id ) return self._folding_model @property def struct_tokenizer(self): if self._struct_tokenizer is None: print(f"Loading struct_tokenizer...") self._struct_tokenizer = get_struct_tokenizer( self._infer_cfg.struct_tokenizer.exp_path ).to(self.device) return self._struct_tokenizer @property def inference_dir(self): if self._inference_dir is None: if dist.is_initialized(): if dist.get_rank() == 0: inference_dir = [self.__inference_dir] else: inference_dir = [None] dist.broadcast_object_list(inference_dir, src=0) inference_dir = inference_dir[0] else: inference_dir = self.__inference_dir self._inference_dir = inference_dir return self._inference_dir def setup_inference_dir(self, ckpt_path): self._ckpt_name = "/".join( ckpt_path.replace(".ckpt", "").split("/")[-3:] ) output_dir = os.path.join( ckpt_path, self._infer_cfg.task, self._infer_cfg.inference_subdir, ) os.makedirs(output_dir, exist_ok=True) log.info(f"Saving results to {output_dir}") return output_dir def run_detokenize_from_fasta(self, fasta_path): # read fasta file into sequences fasta_seqs = fasta.FastaFile.read(fasta_path) all_header_seqs = [ # (f"struct_seq_{i:03d}", struct_seq.lower().replace("x", "#")) (f"{header}", struct_seq.lower().replace("x", "#")) for i, (header, struct_seq) in enumerate(fasta_seqs.items()) ] def _featurize(struct_seq): feats = {} feats["structok"] = torch.LongTensor( np.array(self.struct_tokenizer.struct_seq_to_ids(struct_seq)) ) feats["res_mask"] = torch.ones_like( feats["structok"], dtype=torch.float ) return feats all_data = [] for header, struct_seq in all_header_seqs: feats = _featurize(struct_seq) if self._infer_cfg.task == "reconstruction": pdb_name = header elif self._infer_cfg.task != "unconditional": header = pdb_name = header[ header.find("PDB_name_") + len("PDB_name_") : header.find("_L=") ] feats["aatype"] = torch.ones_like(feats["structok"]) feats["header"] = f"{header}" all_data.append(feats) log.info(f"Loaded {len(all_data)} struct_seq from {fasta_path}") fasta_name = os.path.basename(fasta_path).replace(".fasta", "") output_dir = os.path.join( self.inference_dir, fasta_name, "struct_pred" ) os.makedirs(output_dir, exist_ok=True) log.info(f"Predicting strctures from {fasta_path}") cutoff = 450 dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, # if not self._infer_cfg.get("is_trajectory") else len(all_data), shuffle=False, drop_last=False, collate_fn=self.struct_tokenizer.init_data, ) pbar = tqdm(dataloader, desc="struct tokenizer") for batch in pbar: pbar.set_description(f"struct tokenizer ({batch['header']})") self._run_struct_tokenizer(batch, output_dir) if self._infer_cfg.get("is_trajectory"): self.write_trajectory(output_dir) return output_dir def get_pdb_from_struct_fasta(self, struct_fasta_path): if "codesign" in self._infer_cfg.task: self.aatype_corrupt = True directory_path = os.path.dirname(struct_fasta_path) origin_dir = os.path.join(directory_path, "pdb") directory_basename = os.path.basename(directory_path) output_dir = os.path.join(self.inference_dir, directory_basename) os.makedirs(output_dir, exist_ok=True) os.system(f"cp -r {origin_dir} {output_dir}/pdb") return f"{output_dir}/pdb" def write_trajectory(self, pdb_folder): natsort = lambda s: [ int(t) if t.isdigit() else t.lower() for t in re.split("(\d+)", s) ] pdb_paths = sorted( list(glob(os.path.join(pdb_folder, "*.pdb"))), key=natsort ) saveto = os.path.join(pdb_folder, "_traj.pdb") f = open(saveto, "w") for pdb_path in pdb_paths: pdb_string = open(pdb_path, "r").read() os.remove(pdb_path) pdb_path = os.path.basename(pdb_path) t = int( pdb_path[pdb_path.index("t_") + 2 : pdb_path.index(".pdb")] ) prot = protein_utils.from_pdb_string(pdb_string) pdb_prot = protein_utils.to_pdb(prot, model=t + 1, add_end=False) f.write(pdb_prot) f.close() @torch.no_grad() def _run_struct_tokenizer(self, batch, output_dir, is_trajectory=False): batch = recursive_to(batch, device=self.device) decoder_out = self.struct_tokenizer.detokenize( batch["structok"], batch["res_mask"] ) save_with_aatype = ( self.aatype_corrupt or self._infer_cfg.task == "forward_folding" ) if save_with_aatype: decoder_out["aatype"] = batch["aatype"] decoder_out["header"] = batch["header"] self.struct_tokenizer.output_to_pdb( decoder_out, output_dir, is_trajectory=is_trajectory ) log.info(f"Saved predicted structures to {output_dir}") @torch.no_grad() def run_tokenize(self, pdb_folder, output_dir): all_data = [] for pdb_path in glob(os.path.join(pdb_folder, "*.pdb")): log.info(f"Processing {pdb_path}") # predicted structures feats = load_from_pdb( pdb_path, process_chain=self.struct_tokenizer.process_chain ) feats["pdb_path"] = pdb_path feats["header"] = feats["pdb_name"] all_data.append(feats) dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) all_header_struct_seq = [] all_header_aa_seq = [] pbar = tqdm(dataloader) for batch in pbar: pdb_name = batch["pdb_name"][0] pbar.set_description( f"Tokenize: {pdb_name} (L={batch['seq_length'][0]})" ) batch = recursive_to(batch, device=self.device) struct_ids = self.struct_tokenizer.tokenize( batch["all_atom_positions"], batch["res_mask"], batch["seq_length"], ) struct_seq = self.struct_tokenizer.struct_ids_to_seq( struct_ids.cpu().tolist()[0] ) all_header_struct_seq.append((pdb_name, struct_seq)) aa_seq = du.aatype_to_seq(batch["aatype"].cpu().tolist()[0]) all_header_aa_seq.append((pdb_name, aa_seq)) output_struct_fasta_path = os.path.join(output_dir, "struct_seq.fasta") fasta.FastaFile.write_iter( output_struct_fasta_path, all_header_struct_seq ) output_aa_fasta_path = os.path.join(output_dir, "aa_seq.fasta") fasta.FastaFile.write_iter(output_aa_fasta_path, all_header_aa_seq) return output_struct_fasta_path, all_data def evaluate_reconstruction(self, pdb_folder, inplace_save=False): # 1. run tokenization pred_fasta_path, all_feats_gt = self.run_tokenize( pdb_folder, self.inference_dir ) # 2. run detokenization pred_pdb_folder = self.run_detokenize_from_fasta(pred_fasta_path) # 3. run evaluation all_data = [] # read predicted structure pdbs for feats_gt in all_feats_gt: # load gt structure pdb_name = feats_gt["pdb_name"] pdb_path = feats_gt["pdb_path"] log.info(f"Processing gt & pred of {pdb_path}") # load pred structure pred_pdb_path = os.path.join(pred_pdb_folder, pdb_name + ".pdb") feats = load_from_pdb( pred_pdb_path, process_chain=self.struct_tokenizer.process_chain, ) feats["pdb_path"] = pdb_path feats["header"] = pdb_name feats["all_atom_positions_gt"] = feats_gt["all_atom_positions"] feats["all_atom_mask_gt"] = feats_gt["all_atom_mask"] feats["aatype_gt"] = feats_gt["aatype"] # feats["all_atom_positions"][~feats["all_atom_mask_gt"].bool()] = 0. if 60 <= len(feats["aatype"]) <= 320: all_data.append(feats) log.info(f"Processed {len(all_data)} samples") dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) eval_dir = os.path.join(self.inference_dir, "eval") pbar = tqdm(dataloader) for batch in pbar: pbar.set_description( f"Eval Reconstruction: {batch['pdb_name'][0]} (L={batch['seq_length'][0]})" ) self.run_evaluation(batch, eval_dir) return eval_dir def evaluate_unconditional(self, pdb_folder, inplace_save=False): if inplace_save: eval_dir = os.path.join(os.path.dirname(pdb_folder), "eval") # self._inference_dir = os.path.join(self.inference_dir, "eval") all_data = [] for pdb_path in glob(os.path.join(pdb_folder, "*.pdb")): log.info(f"Processing {pdb_path}") feats = load_from_pdb(pdb_path) feats["pdb_path"] = pdb_path all_data.append(feats) log.info(f"Processed {len(all_data)} samples") dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) pbar = tqdm(dataloader) for batch in pbar: pbar.set_description( f"{batch['pdb_name'][0]} (L={batch['seq_length'][0]})" ) self.run_evaluation(batch, eval_dir) return eval_dir def evaluate_forward_folding(self, pdb_folder, inplace_save=False): if inplace_save: eval_dir = os.path.join(os.path.dirname(pdb_folder), "eval") all_data = [] # read predicted structure pdbs for pdb_path in glob(os.path.join(pdb_folder, "*.pdb")): log.info(f"Processing {pdb_path}") # predicted structures feats = load_from_pdb(pdb_path) feats["pdb_path"] = pdb_path feats["header"] = feats["pdb_name"] feats_gt = load_pdb_by_name(feats["pdb_name"], self.metadata) feats["all_atom_positions_gt"] = feats_gt["all_atom_positions"] feats["all_atom_mask_gt"] = feats_gt["all_atom_mask"] feats["aatype_gt"] = feats_gt["aatype"] # feats["all_atom_positions"][~feats["all_atom_mask_gt"].bool()] = 0. if 60 <= len(feats["aatype"]) <= 512: all_data.append(feats) log.info(f"Processed {len(all_data)} samples") dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) pbar = tqdm(dataloader) for batch in pbar: pbar.set_description( f"{batch['pdb_name'][0]} (L={batch['seq_length'][0]})" ) self.run_evaluation(batch, eval_dir) return eval_dir def evaluate_inverse_folding(self, fasta_path, inplace_save=False): if inplace_save: eval_dir = fasta_path.replace(".fasta", "/eval") all_data = [] fasta_seqs = fasta.FastaFile.read(fasta_path) all_header_seqs = [ # (f"struct_seq_{i:03d}", struct_seq.lower().replace("x", "#")) (f"{header}", aa_seq.replace("#", "X")) for i, (header, aa_seq) in enumerate(fasta_seqs.items()) ] output_dir = fasta_path.replace(".fasta", "/seq_pred") os.makedirs(output_dir, exist_ok=True) # read predicted structure pdbs for header, aa_seq in all_header_seqs: # pdb_name = pdb_name.replace("PDB_name_", "")[:4] # pdb_name = header[header.find("PDB_name_") + len("PDB_name_") : header.find("_L=")] pdb_name = header feats = load_pdb_by_name(pdb_name, self.metadata) feats["pdb_name"] = pdb_name feats["header"] = pdb_name feats["all_atom_positions_gt"] = deepcopy( feats["all_atom_positions"] ) # feats["all_atom_mask_gt"] = deepcopy(feats["all_atom_mask"]) feats["aatype_gt"] = deepcopy(feats["aatype"]) # predicted amino acid sequence feats["aatype"] = torch.LongTensor( np.array(du.seq_to_aatype(aa_seq)) ) saveto = os.path.join(output_dir, f"{pdb_name}.pdb") log.info(f"Saving {pdb_name} to {saveto}") eu.write_prot_to_pdb( prot_pos=feats["all_atom_positions_gt"].cpu().detach().numpy(), file_path=saveto, aatype=feats["aatype"].cpu().detach().numpy(), ) all_data.append(feats) # batch_true.append(true_feats) log.info(f"Processed {len(all_data)} samples") dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) pbar = tqdm(dataloader) for batch in pbar: # if batch['pdb_name'][0] != '7fh0_B': # continue pbar.set_description( f"{batch['pdb_name'][0]} (L={batch['seq_length'][0]})" ) self.run_evaluation(batch, eval_dir) return eval_dir def run_evaluation(self, batch, eval_dir): if "sample_id" in batch: sample_ids = batch["sample_id"].squeeze().tolist() else: sample_ids = list(range(batch["aatype"].shape[0])) sample_ids = ( [sample_ids] if isinstance(sample_ids, int) else sample_ids ) sample_lengths = batch["seq_length"].reshape(-1).tolist() num_batch = len(sample_ids) if self._infer_cfg.task.startswith("unconditional"): true_bb_pos = None sample_dirs = [ os.path.join( eval_dir, f"length_{sample_length:03d}", f"{os.path.basename(sample_path)}", ) for sample_id, sample_length, sample_path in zip( sample_ids, sample_lengths, batch["pdb_path"] ) ] diffuse_mask = true_aatype = None sample_length = max(sample_lengths) elif self._infer_cfg.task.startswith("reconstruction"): sample_length = batch["res_mask"].shape[1] sample_dirs = [ os.path.join( # self.inference_dir, eval_dir, f"length_{sample_length}", batch["pdb_name"][0], ) ] true_bb_pos = batch["all_atom_positions_gt"] assert true_bb_pos.shape == (1, sample_length, 37, 3) for i, sample_dir in enumerate(sample_dirs): os.makedirs(sample_dir, exist_ok=True) # save the ground truth as a pdb eu.write_prot_to_pdb( prot_pos=true_bb_pos[i].cpu().detach().numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + "_gt.pdb" ), aatype=batch["aatype_gt"][i].cpu().detach().numpy(), no_indexing=True, omit_missing_residue=False, ) eu.write_prot_to_pdb( prot_pos=batch["all_atom_positions"][i] .cpu() .detach() .numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + ".pdb" ), aatype=batch["aatype_gt"][i].cpu().detach().numpy(), no_indexing=True, omit_missing_residue=False, # atom37_mask=batch["all_atom_mask_gt"][i].cpu().detach().numpy(), ) true_bb_pos = true_bb_pos[..., :3, :].reshape(-1, 3).cpu().numpy() assert true_bb_pos.shape == (sample_length * 3, 3) diffuse_mask = true_aatype = None elif self._infer_cfg.task == "forward_folding": sample_length = batch["res_mask"].shape[1] sample_dirs = [ os.path.join( # self.inference_dir, eval_dir, f"length_{sample_length}", batch["pdb_name"][0], ) ] true_bb_pos = batch["all_atom_positions_gt"] assert true_bb_pos.shape == (1, sample_length, 37, 3) for i, sample_dir in enumerate(sample_dirs): os.makedirs(sample_dir, exist_ok=True) # true_bb_pos = all_atom.atom37_from_trans_rot(batch['trans_1'], batch['rotmats_1']) # save the ground truth as a pdb eu.write_prot_to_pdb( prot_pos=true_bb_pos[i].cpu().detach().numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + "_gt.pdb" ), aatype=batch["aatype_gt"][i].cpu().detach().numpy(), no_indexing=True, omit_missing_residue=False, ) eu.write_prot_to_pdb( prot_pos=batch["all_atom_positions"][i] .cpu() .detach() .numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + ".pdb" ), aatype=batch["aatype_gt"][i].cpu().detach().numpy(), no_indexing=True, omit_missing_residue=False, # atom37_mask=batch["all_atom_mask_gt"][i].cpu().detach().numpy(), ) true_bb_pos = true_bb_pos[..., :3, :].reshape(-1, 3).cpu().numpy() assert true_bb_pos.shape == (sample_length * 3, 3) diffuse_mask = true_aatype = None elif self._infer_cfg.task == "inverse_folding": # sample_length = batch['trans_1'].shape[1] sample_length = batch["res_mask"].shape[1] sample_dirs = [ os.path.join( # self.inference_dir, eval_dir, f"length_{sample_length}", batch["pdb_name"][0], ) ] true_bb_pos = batch["all_atom_positions_gt"] assert true_bb_pos.shape == (1, sample_length, 37, 3) for i, sample_dir in enumerate(sample_dirs): os.makedirs(sample_dir, exist_ok=True) # save the ground truth as a pdb eu.write_prot_to_pdb( prot_pos=true_bb_pos[i].cpu().detach().numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + "_gt.pdb" ), aatype=batch["aatype_gt"][i].cpu().detach().numpy(), ) # save predicted sequence with gt backbone as a pdb eu.write_prot_to_pdb( prot_pos=true_bb_pos[i].cpu().detach().numpy(), file_path=os.path.join( sample_dirs[i], batch["pdb_name"][i] + ".pdb" ), aatype=batch["aatype"][i].cpu().detach().numpy(), ) true_bb_pos = true_bb_pos[..., :3, :].reshape(-1, 3).cpu().numpy() assert true_bb_pos.shape == (sample_length * 3, 3) true_aatype = batch["aatype_gt"] diffuse_mask = true_bb_pos = None self.aatype_corrupt = True else: raise ValueError(f"Unknown task {self._infer_cfg.task}") # Skip runs if already exist top_sample_csv_paths = [ os.path.join(sample_dir, "top_sample.csv") for sample_dir in sample_dirs ] if all( [ os.path.exists(top_sample_csv_path) for top_sample_csv_path in top_sample_csv_paths ] ): log.info(f"Skipping instance {sample_ids} length {sample_length}") return prot_traj = [(batch["all_atom_positions"], batch["aatype"])] model_traj = deepcopy(prot_traj) diffuse_mask = ( diffuse_mask if diffuse_mask is not None else torch.ones(1, sample_length) ) # backbone trajectories atom37_traj = [x[0] for x in prot_traj] atom37_model_traj = [x[0] for x in model_traj] bb_trajs = du.to_numpy(torch.stack(atom37_traj, dim=0).transpose(0, 1)) noisy_traj_length = bb_trajs.shape[1] assert bb_trajs.shape == ( num_batch, noisy_traj_length, sample_length, 37, 3, ) model_trajs = du.to_numpy( torch.stack(atom37_model_traj, dim=0).transpose(0, 1) ) clean_traj_length = model_trajs.shape[1] assert model_trajs.shape == ( num_batch, clean_traj_length, sample_length, 37, 3, ) # aa trajectories aa_traj = [x[1] for x in prot_traj] clean_aa_traj = [x[1] for x in model_traj] aa_trajs = du.to_numpy( torch.stack(aa_traj, dim=0).transpose(0, 1).long() ) assert aa_trajs.shape == (num_batch, noisy_traj_length, sample_length) for i in range(aa_trajs.shape[0]): for j in range(aa_trajs.shape[2]): if aa_trajs[i, -1, j] == du.MASK_TOKEN_INDEX: print("WARNING mask in predicted AA") aa_trajs[i, -1, j] = 0 clean_aa_trajs = du.to_numpy( torch.stack(clean_aa_traj, dim=0).transpose(0, 1).long() ) assert clean_aa_trajs.shape == ( num_batch, clean_traj_length, sample_length, ) for i, sample_id in tqdm( zip(range(num_batch), sample_ids), total=num_batch, desc=f"{sample_length}", ): sample_dir = sample_dirs[i] top_sample_df = self.compute_sample_metrics( batch, model_trajs[i], bb_trajs[i], aa_trajs[i], clean_aa_trajs[i], true_bb_pos, true_aatype, diffuse_mask, sample_id, sample_lengths[i], sample_dir, aatypes_corrupt=self.aatype_corrupt, also_fold_pmpnn_seq=self._infer_cfg.also_fold_pmpnn_seq, write_sample_trajectories=self._infer_cfg.write_sample_trajectories, ) top_sample_csv_path = os.path.join(sample_dir, "top_sample.csv") top_sample_df.to_csv(top_sample_csv_path) def run_pmpnn( self, write_dir, pdb_input_path, ): self.folding_model.run_pmpnn( write_dir, pdb_input_path, ) mpnn_fasta_path = os.path.join( write_dir, "seqs", os.path.basename(pdb_input_path).replace(".pdb", ".fa"), ) fasta_seqs = fasta.FastaFile.read(mpnn_fasta_path) all_header_seqs = [ (f"pmpnn_seq_{i}", seq) for i, (_, seq) in enumerate(fasta_seqs.items()) if i > 0 ] modified_fasta_path = mpnn_fasta_path.replace(".fa", "_modified.fasta") fasta.FastaFile.write_iter(modified_fasta_path, all_header_seqs) return modified_fasta_path def compute_sample_metrics( self, batch, model_traj, bb_traj, aa_traj, clean_aa_traj, true_bb_pos, true_aa, diffuse_mask, sample_id, sample_length, sample_dir, aatypes_corrupt, also_fold_pmpnn_seq, write_sample_trajectories, ): noisy_traj_length, sample_length, _, _ = bb_traj.shape clean_traj_length = model_traj.shape[0] assert bb_traj.shape == (noisy_traj_length, sample_length, 37, 3) assert model_traj.shape == (clean_traj_length, sample_length, 37, 3) assert aa_traj.shape == (noisy_traj_length, sample_length) assert clean_aa_traj.shape == (clean_traj_length, sample_length) os.makedirs(sample_dir, exist_ok=True) traj_paths = eu.save_traj( bb_traj[-1], bb_traj, np.flip(model_traj, axis=0), du.to_numpy(diffuse_mask)[0], output_dir=sample_dir, aa_traj=aa_traj, clean_aa_traj=clean_aa_traj, write_trajectories=write_sample_trajectories, omit_missing_residue=False, ) pdb_path = traj_paths["sample_path"] # Run PMPNN to get sequences sc_output_dir = os.path.join(sample_dir, "self_consistency") os.makedirs(sc_output_dir, exist_ok=True) pmpnn_pdb_path = os.path.join( sc_output_dir, os.path.basename(pdb_path) ) shutil.copy(pdb_path, pmpnn_pdb_path) assert (diffuse_mask == 1.0).all() if not self._infer_cfg.no_self_consistency: pmpnn_fasta_path = self.run_pmpnn( sc_output_dir, pmpnn_pdb_path, ) else: pmpnn_fasta_path = None os.makedirs( os.path.join(sc_output_dir, "codesign_seqs"), exist_ok=True ) codesign_fasta = fasta.FastaFile() codesign_fasta["codesign_seq_1"] = "".join( [restypes[x] for x in aa_traj[-1]] ) codesign_fasta_path = os.path.join( sc_output_dir, "codesign_seqs", "codesign.fa" ) codesign_fasta.write(codesign_fasta_path) folded_dir = os.path.join(sc_output_dir, "folded") if os.path.exists(folded_dir): shutil.rmtree(folded_dir) os.makedirs(folded_dir, exist_ok=False) if aatypes_corrupt: # codesign metrics folded_output = self.folding_model.fold_fasta( codesign_fasta_path, folded_dir ) mpnn_results = eu.process_folded_outputs( pdb_path, folded_output, true_bb_pos ) if also_fold_pmpnn_seq: pmpnn_folded_output = self.folding_model.fold_fasta( pmpnn_fasta_path, folded_dir ) pmpnn_results = eu.process_folded_outputs( pdb_path, pmpnn_folded_output, true_bb_pos ) pmpnn_results.to_csv( os.path.join(sample_dir, "pmpnn_results.csv") ) else: # non-codesign metrics (unconditional, inverse folding) if pmpnn_fasta_path is not None: folded_output = self.folding_model.fold_fasta( pmpnn_fasta_path, folded_dir ) else: folded_output = ( None # do not perform self-consistency evaluation ) mpnn_results = eu.process_folded_outputs( pdb_path, folded_output, true_bb_pos ) # mpnn_results = eu.process_folded_outputs(pdb_path, folded_output, true_bb_pos) if true_aa is not None: assert true_aa.shape == (1, sample_length) true_aa_fasta = fasta.FastaFile() true_aa_fasta["seq_1"] = "".join( [restypes_with_x[i] for i in true_aa[0]] ) true_aa_fasta.write(os.path.join(sample_dir, "true_aa.fa")) sample_aa_fasta = fasta.FastaFile() sample_aa_fasta["seq_1"] = "".join( [restypes_with_x[i] for i in aa_traj[-1]] ) sample_aa_fasta.write(os.path.join(sample_dir, "sample_aa.fa")) seq_recovery = ( ( torch.from_numpy(aa_traj[-1]).to(true_aa[0].device) == true_aa[0] ) .float() .mean() ) mpnn_results["inv_fold_seq_recovery"] = seq_recovery.item() # get seq recovery for PMPNN as well if also_fold_pmpnn_seq: pmpnn_fasta = fasta.FastaFile.read(pmpnn_fasta_path) pmpnn_fasta_str = pmpnn_fasta["pmpnn_seq_1"] pmpnn_fasta_idx = torch.tensor( [restypes_with_x.index(x) for x in pmpnn_fasta_str] ).to(true_aa[0].device) pmpnn_seq_recovery = ( (pmpnn_fasta_idx == true_aa[0]).float().mean() ) pmpnn_results["pmpnn_seq_recovery"] = pmpnn_seq_recovery.item() pmpnn_results.to_csv( os.path.join(sample_dir, "pmpnn_results.csv") ) mpnn_results["pmpnn_seq_recovery"] = pmpnn_seq_recovery.item() mpnn_results["pmpnn_bb_rmsd"] = pmpnn_results["bb_rmsd"] else: mpnn_results["pmpnn_seq_recovery"] = 0.0 mpnn_results["pmpnn_bb_rmsd"] = 0.0 # Save results to CSV mpnn_results.to_csv(os.path.join(sample_dir, "sc_results.csv")) mpnn_results["length"] = sample_length mpnn_results["sample_id"] = sample_id del mpnn_results["header"] del mpnn_results["sequence"] # Select the top sample if self._infer_cfg.task.startswith("unconditional"): top_sample = mpnn_results.sort_values( "bb_tmscore", ascending=False ).iloc[:1] elif self._infer_cfg.task.startswith("reconstruction"): top_sample = mpnn_results.sort_values( "bb_tmscore_to_gt", ascending=False ).iloc[:1] elif self._infer_cfg.task == "forward_folding": top_sample = mpnn_results.sort_values( "bb_tmscore_to_gt", ascending=False ).iloc[:1] elif self._infer_cfg.task == "inverse_folding": top_sample = mpnn_results.sort_values( "bb_rmsd", ascending=True ).iloc[:1] # Compute secondary structure metrics sample_dict = top_sample.iloc[0].to_dict() ss_metrics = eu.calc_mdtraj_metrics(sample_dict["sample_path"]) top_sample["helix_percent"] = ss_metrics["helix_percent"] top_sample["strand_percent"] = ss_metrics["strand_percent"] return top_sample def compute_unconditional_metrics(self, output_dir): log.info(f"Calculating metrics for {output_dir}") top_sample_csv = eu.get_all_top_samples(output_dir) # top_sample_csv["designable"] = top_sample_csv.bb_rmsd <= 2.0 top_sample_csv["designable"] = top_sample_csv.bb_tmscore >= 0.5 metrics_df = pd.DataFrame( data={ "Total codesignable": top_sample_csv.designable.sum(), "Designable": top_sample_csv.designable.mean(), "Total samples": len(top_sample_csv), }, index=[0], ) designable_csv_path = os.path.join(output_dir, "designable.csv") metrics_df.to_csv(designable_csv_path, index=False) if self._infer_cfg.calculate_diversity: eu.calculate_diversity( output_dir, metrics_df, top_sample_csv, designable_csv_path ) if self.aatype_corrupt and self._infer_cfg.also_fold_pmpnn_seq: # co-design metrics eu.calculate_pmpnn_consistency( output_dir, metrics_df, designable_csv_path ) eu.calculate_pmpnn_designability( output_dir, metrics_df, designable_csv_path ) # elif self._infer_cfg.also_fold_pmpnn_seq: # eu.calculate_pmpnn_designability( # output_dir, # metrics_df, # designable_csv_path, # # "sc_results.csv" # ) def compute_reconstruction_metrics(self, output_dir): log.info(f"Calculating metrics for {output_dir}") top_sample_csv = eu.get_all_top_samples(output_dir) # top_sample_csv["fold_match_seq"] = top_sample_csv.bb_rmsd_to_gt <= 2.0 top_sample_csv["fold_match_seq"] = ( top_sample_csv.bb_tmscore_to_gt >= 0.8 ) metrics_df = pd.DataFrame( data={ "Total Match Seq": top_sample_csv.fold_match_seq.sum(), "Prop Match Seq": top_sample_csv.fold_match_seq.mean(), "Average bb_rmsd_to_gt": top_sample_csv.bb_rmsd_to_gt.mean(), "Average fold model bb_rmsd_to_gt": top_sample_csv.fold_model_bb_rmsd_to_gt.mean(), "Average bb_tmscore_to_gt": top_sample_csv.bb_tmscore_to_gt.mean(), "Total samples": len(top_sample_csv), }, index=[0], ) metrics_csv_path = os.path.join( output_dir, "reconstruction_metrics.csv" ) metrics_df.to_csv(metrics_csv_path, index=False) def compute_forward_folding_metrics(self, output_dir): log.info(f"Calculating metrics for {output_dir}") top_sample_csv = eu.get_all_top_samples(output_dir) # top_sample_csv["fold_match_seq"] = top_sample_csv.bb_rmsd_to_gt <= 2.0 top_sample_csv["fold_match_seq"] = ( top_sample_csv.bb_tmscore_to_gt >= 0.8 ) metrics_df = pd.DataFrame( data={ "Total Match Seq": top_sample_csv.fold_match_seq.sum(), "Prop Match Seq": top_sample_csv.fold_match_seq.mean(), "Average bb_rmsd_to_gt": top_sample_csv.bb_rmsd_to_gt.mean(), "Average fold model bb_rmsd_to_gt": top_sample_csv.fold_model_bb_rmsd_to_gt.mean(), "Average bb_tmscore_to_gt": top_sample_csv.bb_tmscore_to_gt.mean(), "Total samples": len(top_sample_csv), }, index=[0], ) metrics_csv_path = os.path.join(output_dir, "forward_fold_metrics.csv") metrics_df.to_csv(metrics_csv_path, index=False) def compute_inverse_folding_metrics(self, output_dir): log.info(f"Calculating metrics for {output_dir}") top_sample_csv = eu.get_all_top_samples(output_dir) top_sample_csv["designable"] = top_sample_csv.bb_rmsd <= 2.0 metrics_df = pd.DataFrame( data={ "Total designable": top_sample_csv.designable.sum(), "Designable": top_sample_csv.designable.mean(), "Total samples": len(top_sample_csv), "Average_bb_rmsd": top_sample_csv.bb_rmsd.mean(), "Average_seq_recovery": top_sample_csv.inv_fold_seq_recovery.mean(), "Average_pmpnn_bb_rmsd": top_sample_csv.pmpnn_bb_rmsd.mean(), "Average_pmpnn_seq_recovery": top_sample_csv.pmpnn_seq_recovery.mean(), }, index=[0], ) metrics_csv_path = os.path.join(output_dir, "inverse_fold_metrics.csv") metrics_df.to_csv(metrics_csv_path, index=False) config_path = "../../../../configs/experiment/structok/inference" @hydra.main( version_base=None, config_path=config_path, config_name="inference_unconditional", ) def run(cfg: DictConfig) -> None: os.environ["PROJECT_ROOT"] = cfg.env.PROJECT_ROOT # Read model checkpoint. log.info(f"Starting inference with {cfg.inference.num_gpus} GPUs") start_time = time.time() sampler = EvalRunner(cfg) processed_path = [] def compute_metrics(inference_dir): if dist.is_initialized() and dist.get_rank() != 0: return if cfg.inference.task.startswith("unconditional"): sampler.compute_unconditional_metrics(inference_dir) elif cfg.inference.task.startswith("reconstruction"): sampler.compute_reconstruction_metrics(inference_dir) elif cfg.inference.task == "forward_folding": sampler.compute_forward_folding_metrics(inference_dir) elif cfg.inference.task == "inverse_folding": sampler.compute_inverse_folding_metrics(inference_dir) else: raise ValueError(f"Unknown task {cfg.inference.task}") if cfg.inference.task == "reconstruction": eval_folder = sampler.evaluate_reconstruction( cfg.inference.input_pdb_folder, inplace_save=True ) compute_metrics(eval_folder) else: natsort = lambda s: [ int(t) if t.isdigit() else t.lower() for t in re.split("(\d+)", s) ] input_fasta_dir = cfg.inference.input_fasta_dir for fasta_path in sorted( glob( input_fasta_dir + ( "/**/*.fasta" if cfg.inference.task.startswith("unconditional") else "/*.fasta" ), recursive=False, ), key=natsort, ): if "struct_token" not in fasta_path and "aatype" not in fasta_path: continue if os.path.dirname(fasta_path) in processed_path: continue else: processed_path.append(os.path.dirname(fasta_path)) print(fasta_path) if cfg.inference.task.startswith("unconditional"): pdb_folder = sampler.get_pdb_from_struct_fasta(fasta_path) if cfg.inference.compute_metrics: eval_folder = sampler.evaluate_unconditional( pdb_folder, inplace_save=True ) compute_metrics(eval_folder) elif cfg.inference.task == "forward_folding": pdb_folder = sampler.get_pdb_from_struct_fasta(fasta_path) eval_folder = sampler.evaluate_forward_folding( pdb_folder, inplace_save=True ) compute_metrics(eval_folder) elif cfg.inference.task == "inverse_folding": fasta_path = fasta_path.replace("struct_token", "aatype") pdb_folder = sampler.get_pdb_from_struct_fasta(fasta_path) eval_folder = sampler.evaluate_inverse_folding( fasta_path, inplace_save=True ) compute_metrics(eval_folder) elapsed_time = time.time() - start_time log.info(f"Finished in {elapsed_time:.2f}s") if __name__ == "__main__": run() ================================================ FILE: src/byprot/utils/protein/folding_model.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/jasonkyuyim/multiflow/blob/main/LICENSE # # This modified file is released under the same license. import glob import json import logging import os import subprocess import esm import numpy as np import pandas as pd import torch from biotite.sequence.io import fasta class FoldingModel: def __init__(self, cfg, device_id=None): self._print_logger = logging.getLogger(__name__) self._cfg = cfg self._esmf = None self._device_id = device_id self._device = None @property def device_id(self): if self._device_id is None: self._device_id = torch.cuda.current_device() return self._device_id @property def device(self): if self._device is None: self._device = f"cuda:{self.device_id}" return self._device def fold_fasta(self, fasta_path, output_dir): if self._cfg.folding_model == "esmf": folded_output = self._esmf_model(fasta_path, output_dir) elif self._cfg.folding_model == "af2": folded_output = self._af2_model(fasta_path, output_dir) else: raise ValueError( f"Unknown folding model: {self._cfg.folding_model}" ) return folded_output @torch.no_grad() def _esmf_model(self, fasta_path, output_dir): if self._esmf is None: self._print_logger.info(f"Loading ESMFold on device {self.device}") # torch.hub.set_dir(self._cfg.pt_hub_dir) self._esmf = esm.pretrained.esmfold_v1().eval().to(self.device) fasta_seqs = fasta.FastaFile.read(fasta_path) folded_outputs = { "folded_path": [], "header": [], "plddt": [], "seq": [], } for header, string in fasta_seqs.items(): # Run ESMFold # Need to convert unknown amino acids to alanine since ESMFold # doesn't like them and will remove them... string = string.replace("X", "A") esmf_sample_path = os.path.join(output_dir, f"folded_{header}.pdb") esmf_outputs = self._esmf.infer(string) pdb_output = self._esmf.output_to_pdb(esmf_outputs)[0] with open(esmf_sample_path, "w") as f: f.write(pdb_output) mean_plddt = esmf_outputs["mean_plddt"][0].item() folded_outputs["folded_path"].append(esmf_sample_path) folded_outputs["header"].append(header) folded_outputs["plddt"].append(mean_plddt) folded_outputs["seq"].append(string) return pd.DataFrame(folded_outputs) def _af2_model(self, fasta_path, output_dir): af2_args = [ self._cfg.colabfold_path, fasta_path, output_dir, "--msa-mode", "single_sequence", "--num-models", "1", "--random-seed", "123", "--device", f"{self.device_id}", "--model-order", "4", "--num-recycle", "3", "--model-type", "alphafold2_ptm", ] process = subprocess.Popen( af2_args, stdout=subprocess.DEVNULL, stderr=subprocess.STDOUT ) _ = process.wait() fasta_seqs = fasta.FastaFile.read(fasta_path) folded_outputs = { "folded_path": [], "header": [], "plddt": [], } all_af2_files = glob.glob(os.path.join(output_dir, "*")) af2_model_4_pdbs = {} af2_model_4_jsons = {} for x in all_af2_files: if "model_4" in x: seq_name = os.path.basename(x) if x.endswith(".json"): seq_name = seq_name.split("_scores")[0] af2_model_4_jsons[seq_name] = x if x.endswith(".pdb"): seq_name = seq_name.split("_unrelaxed")[0] af2_model_4_pdbs[seq_name] = x else: os.remove(x) for header, _ in fasta_seqs.items(): af2_folded_path = af2_model_4_pdbs[header] af2_json_path = af2_model_4_jsons[header] with open(af2_json_path, "r") as f: folded_confidence = json.load(f) mean_plddt = np.mean(folded_confidence["plddt"]) folded_outputs["folded_path"].append(af2_folded_path) folded_outputs["header"].append(header) folded_outputs["plddt"].append(mean_plddt) return pd.DataFrame(folded_outputs) def run_pmpnn(self, input_dir, output_path): os.makedirs(os.path.join(input_dir, "seqs"), exist_ok=True) process = subprocess.Popen( [ "python", os.path.join( self._cfg.pmpnn_path, "helper_scripts/parse_multiple_chains.py", ), f"--input_path={input_dir}", f"--output_path={output_path}", ], stdout=subprocess.DEVNULL, stderr=subprocess.STDOUT, ) _ = process.wait() # stdout_data, stderr_data = process.communicate() # print(stdout_data, stderr_data) pmpnn_args = [ "python", os.path.join(self._cfg.pmpnn_path, "protein_mpnn_run.py"), "--out_folder", input_dir, "--jsonl_path", output_path, "--num_seq_per_target", str(self._cfg.seq_per_sample), "--sampling_temp", "0.1", "--seed", "38", "--batch_size", "1", "--device", str(self.device_id), ] process = subprocess.Popen( pmpnn_args, stdout=subprocess.DEVNULL, stderr=subprocess.STDOUT ) _ = process.wait() # def run_pmpnn(self, input_dir, output_path): # os.makedirs(os.path.join(input_dir, "seqs"), exist_ok=True) # process = subprocess.Popen( # [ # "python", # os.path.join(self._cfg.pmpnn_path, "helper_scripts/parse_multiple_chains.py"), # f"--input_path={input_dir}", # f"--output_path={output_path}", # ], # stdout=subprocess.DEVNULL, # stderr=subprocess.STDOUT, # ) # _ = process.wait() # # stdout_data, stderr_data = process.communicate() # # print(stdout_data, stderr_data) # pdb_name = input_dir.split('/')[-5] # df = pd.read_csv('/'.join(input_dir.split('/')[:-8]) + f"/scaffold_info/{pdb_name}.csv") # index = int(input_dir.split('/')[-2].split('_')[1].split('.')[0]) # start_idxs = eval(df.iloc[index]['start_idxs']) # end_idxs = eval(df.iloc[index]['end_idxs']) # position_list = [] # for i, start_idx in enumerate(start_idxs): # end_idx = end_idxs[i] # position_list += list(np.arange(start_idx, end_idx + 1) + 1) # position_list = ' '.join([str(a) for a in position_list]) # fixed_pos_output_path = output_path.replace("sample.pdb", "sample_fixed_pos.pdb") # process = subprocess.Popen( # [ # "python", # os.path.join(self._cfg.pmpnn_path, "helper_scripts/make_fixed_positions_dict.py"), # f"--input_path={output_path}", # f"--output_path={fixed_pos_output_path}", # f"--chain_list=A", # f"--position_list={position_list}" # # --chain_list "$chains_to_design" --position_list "$fixed_positions" # ], # stdout=subprocess.DEVNULL, # stderr=subprocess.STDOUT, # ) # _ = process.wait() # pmpnn_args = [ # "python", # os.path.join(self._cfg.pmpnn_path, "protein_mpnn_run.py"), # "--out_folder", # input_dir, # "--jsonl_path", # output_path, # "--fixed_positions_jsonl", # fixed_pos_output_path, # "--num_seq_per_target", # str(self._cfg.seq_per_sample), # "--sampling_temp", # "0.1", # "--seed", # "38", # "--batch_size", # "1", # "--device", # str(self.device_id), # ] # process = subprocess.Popen( # pmpnn_args, stdout=subprocess.DEVNULL, stderr=subprocess.STDOUT # ) # _ = process.wait() ================================================ FILE: src/byprot/utils/protein/residue_constants.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Constants used in AlphaFold.""" import collections import functools import os from typing import List, Mapping, Tuple import numpy as np import tree # Internal import (35fd). # Distance from one CA to next CA [trans configuration: omega = 180]. ca_ca = 3.80209737096 # Format: The list for each AA type contains chi1, chi2, chi3, chi4 in # this order (or a relevant subset from chi1 onwards). ALA and GLY don't have # chi angles so their chi angle lists are empty. chi_angles_atoms = { "ALA": [], # Chi5 in arginine is always 0 +- 5 degrees, so ignore it. "ARG": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "NE"], ["CG", "CD", "NE", "CZ"], ], "ASN": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "ASP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "CYS": [["N", "CA", "CB", "SG"]], "GLN": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLU": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLY": [], "HIS": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "ND1"]], "ILE": [["N", "CA", "CB", "CG1"], ["CA", "CB", "CG1", "CD1"]], "LEU": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "LYS": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "CE"], ["CG", "CD", "CE", "NZ"], ], "MET": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "SD"], ["CB", "CG", "SD", "CE"], ], "PHE": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "PRO": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"]], "SER": [["N", "CA", "CB", "OG"]], "THR": [["N", "CA", "CB", "OG1"]], "TRP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "TYR": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "VAL": [["N", "CA", "CB", "CG1"]], } # If chi angles given in fixed-length array, this matrix determines how to mask # them for each AA type. The order is as per restype_order (see below). chi_angles_mask = [ [0.0, 0.0, 0.0, 0.0], # ALA [1.0, 1.0, 1.0, 1.0], # ARG [1.0, 1.0, 0.0, 0.0], # ASN [1.0, 1.0, 0.0, 0.0], # ASP [1.0, 0.0, 0.0, 0.0], # CYS [1.0, 1.0, 1.0, 0.0], # GLN [1.0, 1.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [1.0, 1.0, 0.0, 0.0], # HIS [1.0, 1.0, 0.0, 0.0], # ILE [1.0, 1.0, 0.0, 0.0], # LEU [1.0, 1.0, 1.0, 1.0], # LYS [1.0, 1.0, 1.0, 0.0], # MET [1.0, 1.0, 0.0, 0.0], # PHE [1.0, 1.0, 0.0, 0.0], # PRO [1.0, 0.0, 0.0, 0.0], # SER [1.0, 0.0, 0.0, 0.0], # THR [1.0, 1.0, 0.0, 0.0], # TRP [1.0, 1.0, 0.0, 0.0], # TYR [1.0, 0.0, 0.0, 0.0], # VAL ] # The following chi angles are pi periodic: they can be rotated by a multiple # of pi without affecting the structure. chi_pi_periodic = [ [0.0, 0.0, 0.0, 0.0], # ALA [0.0, 0.0, 0.0, 0.0], # ARG [0.0, 0.0, 0.0, 0.0], # ASN [0.0, 1.0, 0.0, 0.0], # ASP [0.0, 0.0, 0.0, 0.0], # CYS [0.0, 0.0, 0.0, 0.0], # GLN [0.0, 0.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [0.0, 0.0, 0.0, 0.0], # HIS [0.0, 0.0, 0.0, 0.0], # ILE [0.0, 0.0, 0.0, 0.0], # LEU [0.0, 0.0, 0.0, 0.0], # LYS [0.0, 0.0, 0.0, 0.0], # MET [0.0, 1.0, 0.0, 0.0], # PHE [0.0, 0.0, 0.0, 0.0], # PRO [0.0, 0.0, 0.0, 0.0], # SER [0.0, 0.0, 0.0, 0.0], # THR [0.0, 0.0, 0.0, 0.0], # TRP [0.0, 1.0, 0.0, 0.0], # TYR [0.0, 0.0, 0.0, 0.0], # VAL [0.0, 0.0, 0.0, 0.0], # UNK ] # Atoms positions relative to the 8 rigid groups, defined by the pre-omega, phi, # psi and chi angles: # 0: 'backbone group', # 1: 'pre-omega-group', (empty) # 2: 'phi-group', (currently empty, because it defines only hydrogens) # 3: 'psi-group', # 4,5,6,7: 'chi1,2,3,4-group' # The atom positions are relative to the axis-end-atom of the corresponding # rotation axis. The x-axis is in direction of the rotation axis, and the y-axis # is defined such that the dihedral-angle-definiting atom (the last entry in # chi_angles_atoms above) is in the xy-plane (with a positive y-coordinate). # format: [atomname, group_idx, rel_position] rigid_group_atom_positions = { "ALA": [ ["N", 0, (-0.525, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.529, -0.774, -1.205)], ["O", 3, (0.627, 1.062, 0.000)], ], "ARG": [ ["N", 0, (-0.524, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.524, -0.778, -1.209)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.616, 1.390, -0.000)], ["CD", 5, (0.564, 1.414, 0.000)], ["NE", 6, (0.539, 1.357, -0.000)], ["NH1", 7, (0.206, 2.301, 0.000)], ["NH2", 7, (2.078, 0.978, -0.000)], ["CZ", 7, (0.758, 1.093, -0.000)], ], "ASN": [ ["N", 0, (-0.536, 1.357, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.531, -0.787, -1.200)], ["O", 3, (0.625, 1.062, 0.000)], ["CG", 4, (0.584, 1.399, 0.000)], ["ND2", 5, (0.593, -1.188, 0.001)], ["OD1", 5, (0.633, 1.059, 0.000)], ], "ASP": [ ["N", 0, (-0.525, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, 0.000, -0.000)], ["CB", 0, (-0.526, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.593, 1.398, -0.000)], ["OD1", 5, (0.610, 1.091, 0.000)], ["OD2", 5, (0.592, -1.101, -0.003)], ], "CYS": [ ["N", 0, (-0.522, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, 0.000)], ["CB", 0, (-0.519, -0.773, -1.212)], ["O", 3, (0.625, 1.062, -0.000)], ["SG", 4, (0.728, 1.653, 0.000)], ], "GLN": [ ["N", 0, (-0.526, 1.361, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.525, -0.779, -1.207)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.615, 1.393, 0.000)], ["CD", 5, (0.587, 1.399, -0.000)], ["NE2", 6, (0.593, -1.189, -0.001)], ["OE1", 6, (0.634, 1.060, 0.000)], ], "GLU": [ ["N", 0, (-0.528, 1.361, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.526, -0.781, -1.207)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.615, 1.392, 0.000)], ["CD", 5, (0.600, 1.397, 0.000)], ["OE1", 6, (0.607, 1.095, -0.000)], ["OE2", 6, (0.589, -1.104, -0.001)], ], "GLY": [ ["N", 0, (-0.572, 1.337, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.517, -0.000, -0.000)], ["O", 3, (0.626, 1.062, -0.000)], ], "HIS": [ ["N", 0, (-0.527, 1.360, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.525, -0.778, -1.208)], ["O", 3, (0.625, 1.063, 0.000)], ["CG", 4, (0.600, 1.370, -0.000)], ["CD2", 5, (0.889, -1.021, 0.003)], ["ND1", 5, (0.744, 1.160, -0.000)], ["CE1", 5, (2.030, 0.851, 0.002)], ["NE2", 5, (2.145, -0.466, 0.004)], ], "ILE": [ ["N", 0, (-0.493, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.536, -0.793, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.534, 1.437, -0.000)], ["CG2", 4, (0.540, -0.785, -1.199)], ["CD1", 5, (0.619, 1.391, 0.000)], ], "LEU": [ ["N", 0, (-0.520, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.522, -0.773, -1.214)], ["O", 3, (0.625, 1.063, -0.000)], ["CG", 4, (0.678, 1.371, 0.000)], ["CD1", 5, (0.530, 1.430, -0.000)], ["CD2", 5, (0.535, -0.774, 1.200)], ], "LYS": [ ["N", 0, (-0.526, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.524, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.619, 1.390, 0.000)], ["CD", 5, (0.559, 1.417, 0.000)], ["CE", 6, (0.560, 1.416, 0.000)], ["NZ", 7, (0.554, 1.387, 0.000)], ], "MET": [ ["N", 0, (-0.521, 1.364, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.210)], ["O", 3, (0.625, 1.062, -0.000)], ["CG", 4, (0.613, 1.391, -0.000)], ["SD", 5, (0.703, 1.695, 0.000)], ["CE", 6, (0.320, 1.786, -0.000)], ], "PHE": [ ["N", 0, (-0.518, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, -0.000)], ["CB", 0, (-0.525, -0.776, -1.212)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.607, 1.377, 0.000)], ["CD1", 5, (0.709, 1.195, -0.000)], ["CD2", 5, (0.706, -1.196, 0.000)], ["CE1", 5, (2.102, 1.198, -0.000)], ["CE2", 5, (2.098, -1.201, -0.000)], ["CZ", 5, (2.794, -0.003, -0.001)], ], "PRO": [ ["N", 0, (-0.566, 1.351, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, 0.000)], ["CB", 0, (-0.546, -0.611, -1.293)], ["O", 3, (0.621, 1.066, 0.000)], ["CG", 4, (0.382, 1.445, 0.0)], # ['CD', 5, (0.427, 1.440, 0.0)], ["CD", 5, (0.477, 1.424, 0.0)], # manually made angle 2 degrees larger ], "SER": [ ["N", 0, (-0.529, 1.360, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.518, -0.777, -1.211)], ["O", 3, (0.626, 1.062, -0.000)], ["OG", 4, (0.503, 1.325, 0.000)], ], "THR": [ ["N", 0, (-0.517, 1.364, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, -0.000)], ["CB", 0, (-0.516, -0.793, -1.215)], ["O", 3, (0.626, 1.062, 0.000)], ["CG2", 4, (0.550, -0.718, -1.228)], ["OG1", 4, (0.472, 1.353, 0.000)], ], "TRP": [ ["N", 0, (-0.521, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.212)], ["O", 3, (0.627, 1.062, 0.000)], ["CG", 4, (0.609, 1.370, -0.000)], ["CD1", 5, (0.824, 1.091, 0.000)], ["CD2", 5, (0.854, -1.148, -0.005)], ["CE2", 5, (2.186, -0.678, -0.007)], ["CE3", 5, (0.622, -2.530, -0.007)], ["NE1", 5, (2.140, 0.690, -0.004)], ["CH2", 5, (3.028, -2.890, -0.013)], ["CZ2", 5, (3.283, -1.543, -0.011)], ["CZ3", 5, (1.715, -3.389, -0.011)], ], "TYR": [ ["N", 0, (-0.522, 1.362, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, -0.000, -0.000)], ["CB", 0, (-0.522, -0.776, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG", 4, (0.607, 1.382, -0.000)], ["CD1", 5, (0.716, 1.195, -0.000)], ["CD2", 5, (0.713, -1.194, -0.001)], ["CE1", 5, (2.107, 1.200, -0.002)], ["CE2", 5, (2.104, -1.201, -0.003)], ["OH", 5, (4.168, -0.002, -0.005)], ["CZ", 5, (2.791, -0.001, -0.003)], ], "VAL": [ ["N", 0, (-0.494, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.533, -0.795, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.540, 1.429, -0.000)], ["CG2", 4, (0.533, -0.776, 1.203)], ], } # A list of atoms (excluding hydrogen) for each AA type. PDB naming convention. residue_atoms = { "ALA": ["C", "CA", "CB", "N", "O"], "ARG": ["C", "CA", "CB", "CG", "CD", "CZ", "N", "NE", "O", "NH1", "NH2"], "ASP": ["C", "CA", "CB", "CG", "N", "O", "OD1", "OD2"], "ASN": ["C", "CA", "CB", "CG", "N", "ND2", "O", "OD1"], "CYS": ["C", "CA", "CB", "N", "O", "SG"], "GLU": ["C", "CA", "CB", "CG", "CD", "N", "O", "OE1", "OE2"], "GLN": ["C", "CA", "CB", "CG", "CD", "N", "NE2", "O", "OE1"], "GLY": ["C", "CA", "N", "O"], "HIS": ["C", "CA", "CB", "CG", "CD2", "CE1", "N", "ND1", "NE2", "O"], "ILE": ["C", "CA", "CB", "CG1", "CG2", "CD1", "N", "O"], "LEU": ["C", "CA", "CB", "CG", "CD1", "CD2", "N", "O"], "LYS": ["C", "CA", "CB", "CG", "CD", "CE", "N", "NZ", "O"], "MET": ["C", "CA", "CB", "CG", "CE", "N", "O", "SD"], "PHE": ["C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O"], "PRO": ["C", "CA", "CB", "CG", "CD", "N", "O"], "SER": ["C", "CA", "CB", "N", "O", "OG"], "THR": ["C", "CA", "CB", "CG2", "N", "O", "OG1"], "TRP": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE2", "CE3", "CZ2", "CZ3", "CH2", "N", "NE1", "O", ], "TYR": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O", "OH", ], "VAL": ["C", "CA", "CB", "CG1", "CG2", "N", "O"], } # Naming swaps for ambiguous atom names. # Due to symmetries in the amino acids the naming of atoms is ambiguous in # 4 of the 20 amino acids. # (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities # in LEU, VAL and ARG can be resolved by using the 3d constellations of # the 'ambiguous' atoms and their neighbours) residue_atom_renaming_swaps = { "ASP": {"OD1": "OD2"}, "GLU": {"OE1": "OE2"}, "PHE": {"CD1": "CD2", "CE1": "CE2"}, "TYR": {"CD1": "CD2", "CE1": "CE2"}, } # Van der Waals radii [Angstroem] of the atoms (from Wikipedia) van_der_waals_radius = { "C": 1.7, "N": 1.55, "O": 1.52, "S": 1.8, } Bond = collections.namedtuple( "Bond", ["atom1_name", "atom2_name", "length", "stddev"] ) BondAngle = collections.namedtuple( "BondAngle", ["atom1_name", "atom2_name", "atom3name", "angle_rad", "stddev"], ) @functools.lru_cache(maxsize=None) def load_stereo_chemical_props() -> Tuple[ Mapping[str, List[Bond]], Mapping[str, List[Bond]], Mapping[str, List[BondAngle]], ]: """Load stereo_chemical_props.txt into a nice structure. Load literature values for bond lengths and bond angles and translate bond angles into the length of the opposite edge of the triangle ("residue_virtual_bonds"). Returns: residue_bonds: Dict that maps resname -> list of Bond tuples. residue_virtual_bonds: Dict that maps resname -> list of Bond tuples. residue_bond_angles: Dict that maps resname -> list of BondAngle tuples. """ stereo_chemical_props_path = os.path.join( os.path.dirname(os.path.abspath(__file__)), "stereo_chemical_props.txt" ) with open(stereo_chemical_props_path, "rt") as f: stereo_chemical_props = f.read() lines_iter = iter(stereo_chemical_props.splitlines()) # Load bond lengths. residue_bonds = {} next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, length, stddev = line.split() atom1, atom2 = bond.split("-") if resname not in residue_bonds: residue_bonds[resname] = [] residue_bonds[resname].append( Bond(atom1, atom2, float(length), float(stddev)) ) residue_bonds["UNK"] = [] # Load bond angles. residue_bond_angles = {} next(lines_iter) # Skip empty line. next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, angle_degree, stddev_degree = line.split() atom1, atom2, atom3 = bond.split("-") if resname not in residue_bond_angles: residue_bond_angles[resname] = [] residue_bond_angles[resname].append( BondAngle( atom1, atom2, atom3, float(angle_degree) / 180.0 * np.pi, float(stddev_degree) / 180.0 * np.pi, ) ) residue_bond_angles["UNK"] = [] def make_bond_key(atom1_name, atom2_name): """Unique key to lookup bonds.""" return "-".join(sorted([atom1_name, atom2_name])) # Translate bond angles into distances ("virtual bonds"). residue_virtual_bonds = {} for resname, bond_angles in residue_bond_angles.items(): # Create a fast lookup dict for bond lengths. bond_cache = {} for b in residue_bonds[resname]: bond_cache[make_bond_key(b.atom1_name, b.atom2_name)] = b residue_virtual_bonds[resname] = [] for ba in bond_angles: bond1 = bond_cache[make_bond_key(ba.atom1_name, ba.atom2_name)] bond2 = bond_cache[make_bond_key(ba.atom2_name, ba.atom3name)] # Compute distance between atom1 and atom3 using the law of cosines # c^2 = a^2 + b^2 - 2ab*cos(gamma). gamma = ba.angle_rad length = np.sqrt( bond1.length**2 + bond2.length**2 - 2 * bond1.length * bond2.length * np.cos(gamma) ) # Propagation of uncertainty assuming uncorrelated errors. dl_outer = 0.5 / length dl_dgamma = ( 2 * bond1.length * bond2.length * np.sin(gamma) ) * dl_outer dl_db1 = ( 2 * bond1.length - 2 * bond2.length * np.cos(gamma) ) * dl_outer dl_db2 = ( 2 * bond2.length - 2 * bond1.length * np.cos(gamma) ) * dl_outer stddev = np.sqrt( (dl_dgamma * ba.stddev) ** 2 + (dl_db1 * bond1.stddev) ** 2 + (dl_db2 * bond2.stddev) ** 2 ) residue_virtual_bonds[resname].append( Bond(ba.atom1_name, ba.atom3name, length, stddev) ) return (residue_bonds, residue_virtual_bonds, residue_bond_angles) # Between-residue bond lengths for general bonds (first element) and for Proline # (second element). between_res_bond_length_c_n = [1.329, 1.341] between_res_bond_length_stddev_c_n = [0.014, 0.016] # Between-residue cos_angles. between_res_cos_angles_c_n_ca = [-0.5203, 0.0353] # degrees: 121.352 +- 2.315 between_res_cos_angles_ca_c_n = [-0.4473, 0.0311] # degrees: 116.568 +- 1.995 # This mapping is used when we need to store atom data in a format that requires # fixed atom data size for every residue (e.g. a numpy array). atom_types = [ "N", "CA", "C", "CB", "O", "CG", "CG1", "CG2", "OG", "OG1", "SG", "CD", "CD1", "CD2", "ND1", "ND2", "OD1", "OD2", "SD", "CE", "CE1", "CE2", "CE3", "NE", "NE1", "NE2", "OE1", "OE2", "CH2", "NH1", "NH2", "OH", "CZ", "CZ2", "CZ3", "NZ", "OXT", ] atom_order = {atom_type: i for i, atom_type in enumerate(atom_types)} atom_type_num = len(atom_types) # := 37. # A compact atom encoding with 14 columns # pylint: disable=line-too-long # pylint: disable=bad-whitespace restype_name_to_atom14_names = { "ALA": ["N", "CA", "C", "O", "CB", "", "", "", "", "", "", "", "", ""], "ARG": [ "N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2", "", "", "", ], "ASN": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "ND2", "", "", "", "", "", "", ], "ASP": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "OD2", "", "", "", "", "", "", ], "CYS": ["N", "CA", "C", "O", "CB", "SG", "", "", "", "", "", "", "", ""], "GLN": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "NE2", "", "", "", "", "", ], "GLU": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "OE2", "", "", "", "", "", ], "GLY": ["N", "CA", "C", "O", "", "", "", "", "", "", "", "", "", ""], "HIS": [ "N", "CA", "C", "O", "CB", "CG", "ND1", "CD2", "CE1", "NE2", "", "", "", "", ], "ILE": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "CD1", "", "", "", "", "", "", ], "LEU": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "", "", "", "", "", "", ], "LYS": [ "N", "CA", "C", "O", "CB", "CG", "CD", "CE", "NZ", "", "", "", "", "", ], "MET": [ "N", "CA", "C", "O", "CB", "CG", "SD", "CE", "", "", "", "", "", "", ], "PHE": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "", "", "", ], "PRO": ["N", "CA", "C", "O", "CB", "CG", "CD", "", "", "", "", "", "", ""], "SER": ["N", "CA", "C", "O", "CB", "OG", "", "", "", "", "", "", "", ""], "THR": [ "N", "CA", "C", "O", "CB", "OG1", "CG2", "", "", "", "", "", "", "", ], "TRP": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "NE1", "CE2", "CE3", "CZ2", "CZ3", "CH2", ], "TYR": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH", "", "", ], "VAL": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "", "", "", "", "", "", "", ], "UNK": ["", "", "", "", "", "", "", "", "", "", "", "", "", ""], } # pylint: enable=line-too-long # pylint: enable=bad-whitespace # This is the standard residue order when coding AA type as a number. # Reproduce it by taking 3-letter AA codes and sorting them alphabetically. restypes = [ "A", "R", "N", "D", "C", "Q", "E", "G", "H", "I", "L", "K", "M", "F", "P", "S", "T", "W", "Y", "V", ] restype_order = {restype: i for i, restype in enumerate(restypes)} restype_num = len(restypes) # := 20. unk_restype_index = restype_num # Catch-all index for unknown restypes. restypes_with_x = restypes + ["X"] restype_order_with_x = { restype: i for i, restype in enumerate(restypes_with_x) } def sequence_to_onehot( sequence: str, mapping: Mapping[str, int], map_unknown_to_x: bool = False ) -> np.ndarray: """Maps the given sequence into a one-hot encoded matrix. Args: sequence: An amino acid sequence. mapping: A dictionary mapping amino acids to integers. map_unknown_to_x: If True, any amino acid that is not in the mapping will be mapped to the unknown amino acid 'X'. If the mapping doesn't contain amino acid 'X', an error will be thrown. If False, any amino acid not in the mapping will throw an error. Returns: A numpy array of shape (seq_len, num_unique_aas) with one-hot encoding of the sequence. Raises: ValueError: If the mapping doesn't contain values from 0 to num_unique_aas - 1 without any gaps. """ num_entries = max(mapping.values()) + 1 if sorted(set(mapping.values())) != list(range(num_entries)): raise ValueError( "The mapping must have values from 0 to num_unique_aas-1 " "without any gaps. Got: %s" % sorted(mapping.values()) ) one_hot_arr = np.zeros((len(sequence), num_entries), dtype=int) for aa_index, aa_type in enumerate(sequence): if map_unknown_to_x: if aa_type.isalpha() and aa_type.isupper(): aa_id = mapping.get(aa_type, mapping["X"]) else: raise ValueError( f"Invalid character in the sequence: {aa_type}" ) else: aa_id = mapping[aa_type] one_hot_arr[aa_index, aa_id] = 1 return one_hot_arr restype_1to3 = { "A": "ALA", "R": "ARG", "N": "ASN", "D": "ASP", "C": "CYS", "Q": "GLN", "E": "GLU", "G": "GLY", "H": "HIS", "I": "ILE", "L": "LEU", "K": "LYS", "M": "MET", "F": "PHE", "P": "PRO", "S": "SER", "T": "THR", "W": "TRP", "Y": "TYR", "V": "VAL", } # NB: restype_3to1 differs from Bio.PDB.protein_letters_3to1 by being a simple # 1-to-1 mapping of 3 letter names to one letter names. The latter contains # many more, and less common, three letter names as keys and maps many of these # to the same one letter name (including 'X' and 'U' which we don't use here). restype_3to1 = {v: k for k, v in restype_1to3.items()} # Define a restype name for all unknown residues. unk_restype = "UNK" resnames = [restype_1to3[r] for r in restypes] + [unk_restype] resname_to_idx = {resname: i for i, resname in enumerate(resnames)} # The mapping here uses hhblits convention, so that B is mapped to D, J and O # are mapped to X, U is mapped to C, and Z is mapped to E. Other than that the # remaining 20 amino acids are kept in alphabetical order. # There are 2 non-amino acid codes, X (representing any amino acid) and # "-" representing a missing amino acid in an alignment. The id for these # codes is put at the end (20 and 21) so that they can easily be ignored if # desired. HHBLITS_AA_TO_ID = { "A": 0, "B": 2, "C": 1, "D": 2, "E": 3, "F": 4, "G": 5, "H": 6, "I": 7, "J": 20, "K": 8, "L": 9, "M": 10, "N": 11, "O": 20, "P": 12, "Q": 13, "R": 14, "S": 15, "T": 16, "U": 1, "V": 17, "W": 18, "X": 20, "Y": 19, "Z": 3, "-": 21, } # Partial inversion of HHBLITS_AA_TO_ID. ID_TO_HHBLITS_AA = { 0: "A", 1: "C", # Also U. 2: "D", # Also B. 3: "E", # Also Z. 4: "F", 5: "G", 6: "H", 7: "I", 8: "K", 9: "L", 10: "M", 11: "N", 12: "P", 13: "Q", 14: "R", 15: "S", 16: "T", 17: "V", 18: "W", 19: "Y", 20: "X", # Includes J and O. 21: "-", } restypes_with_x_and_gap = restypes + ["X", "-"] MAP_HHBLITS_AATYPE_TO_OUR_AATYPE = tuple( restypes_with_x_and_gap.index(ID_TO_HHBLITS_AA[i]) for i in range(len(restypes_with_x_and_gap)) ) def _make_standard_atom_mask() -> np.ndarray: """Returns [num_res_types, num_atom_types] mask array.""" # +1 to account for unknown (all 0s). mask = np.zeros([restype_num + 1, atom_type_num], dtype=int) for restype, restype_letter in enumerate(restypes): restype_name = restype_1to3[restype_letter] atom_names = residue_atoms[restype_name] for atom_name in atom_names: atom_type = atom_order[atom_name] mask[restype, atom_type] = 1 return mask STANDARD_ATOM_MASK = _make_standard_atom_mask() # A one hot representation for the first and second atoms defining the axis # of rotation for each chi-angle in each residue. def chi_angle_atom(atom_index: int) -> np.ndarray: """Define chi-angle rigid groups via one-hot representations.""" chi_angles_index = {} one_hots = [] for k, v in chi_angles_atoms.items(): indices = [atom_types.index(s[atom_index]) for s in v] indices.extend([-1] * (4 - len(indices))) chi_angles_index[k] = indices for r in restypes: res3 = restype_1to3[r] one_hot = np.eye(atom_type_num)[chi_angles_index[res3]] one_hots.append(one_hot) one_hots.append(np.zeros([4, atom_type_num])) # Add zeros for residue `X`. one_hot = np.stack(one_hots, axis=0) one_hot = np.transpose(one_hot, [0, 2, 1]) return one_hot chi_atom_1_one_hot = chi_angle_atom(1) chi_atom_2_one_hot = chi_angle_atom(2) # An array like chi_angles_atoms but using indices rather than names. chi_angles_atom_indices = [chi_angles_atoms[restype_1to3[r]] for r in restypes] chi_angles_atom_indices = tree.map_structure( lambda atom_name: atom_order[atom_name], chi_angles_atom_indices ) chi_angles_atom_indices = np.array( [ chi_atoms + ([[0, 0, 0, 0]] * (4 - len(chi_atoms))) for chi_atoms in chi_angles_atom_indices ] ) # Mapping from (res_name, atom_name) pairs to the atom's chi group index # and atom index within that group. chi_groups_for_atom = collections.defaultdict(list) for res_name, chi_angle_atoms_for_res in chi_angles_atoms.items(): for chi_group_i, chi_group in enumerate(chi_angle_atoms_for_res): for atom_i, atom in enumerate(chi_group): chi_groups_for_atom[(res_name, atom)].append((chi_group_i, atom_i)) chi_groups_for_atom = dict(chi_groups_for_atom) def _make_rigid_transformation_4x4(ex, ey, translation): """Create a rigid 4x4 transformation matrix from two axes and transl.""" # Normalize ex. ex_normalized = ex / np.linalg.norm(ex) # make ey perpendicular to ex ey_normalized = ey - np.dot(ey, ex_normalized) * ex_normalized ey_normalized /= np.linalg.norm(ey_normalized) # compute ez as cross product eznorm = np.cross(ex_normalized, ey_normalized) m = np.stack( [ex_normalized, ey_normalized, eznorm, translation] ).transpose() m = np.concatenate([m, [[0.0, 0.0, 0.0, 1.0]]], axis=0) return m # create an array with (restype, atomtype) --> rigid_group_idx # and an array with (restype, atomtype, coord) for the atom positions # and compute affine transformation matrices (4,4) from one rigid group to the # previous group restype_atom37_to_rigid_group = np.zeros([21, 37], dtype=int) restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) restype_atom37_rigid_group_positions = np.zeros([21, 37, 3], dtype=np.float32) restype_atom14_to_rigid_group = np.zeros([21, 14], dtype=int) restype_atom14_mask = np.zeros([21, 14], dtype=np.float32) restype_atom14_rigid_group_positions = np.zeros([21, 14, 3], dtype=np.float32) restype_rigid_group_default_frame = np.zeros([21, 8, 4, 4], dtype=np.float32) def _make_rigid_group_constants(): """Fill the arrays above.""" for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] for atomname, group_idx, atom_position in rigid_group_atom_positions[ resname ]: atomtype = atom_order[atomname] restype_atom37_to_rigid_group[restype, atomtype] = group_idx restype_atom37_mask[restype, atomtype] = 1 restype_atom37_rigid_group_positions[ restype, atomtype, : ] = atom_position atom14idx = restype_name_to_atom14_names[resname].index(atomname) restype_atom14_to_rigid_group[restype, atom14idx] = group_idx restype_atom14_mask[restype, atom14idx] = 1 restype_atom14_rigid_group_positions[ restype, atom14idx, : ] = atom_position for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_positions = { name: np.array(pos) for name, _, pos in rigid_group_atom_positions[resname] } # backbone to backbone is the identity transform restype_rigid_group_default_frame[restype, 0, :, :] = np.eye(4) # pre-omega-frame to backbone (currently dummy identity matrix) restype_rigid_group_default_frame[restype, 1, :, :] = np.eye(4) # phi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["N"] - atom_positions["CA"], ey=np.array([1.0, 0.0, 0.0]), translation=atom_positions["N"], ) restype_rigid_group_default_frame[restype, 2, :, :] = mat # psi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["C"] - atom_positions["CA"], ey=atom_positions["CA"] - atom_positions["N"], translation=atom_positions["C"], ) restype_rigid_group_default_frame[restype, 3, :, :] = mat # chi1-frame to backbone if chi_angles_mask[restype][0]: base_atom_names = chi_angles_atoms[resname][0] base_atom_positions = [ atom_positions[name] for name in base_atom_names ] mat = _make_rigid_transformation_4x4( ex=base_atom_positions[2] - base_atom_positions[1], ey=base_atom_positions[0] - base_atom_positions[1], translation=base_atom_positions[2], ) restype_rigid_group_default_frame[restype, 4, :, :] = mat # chi2-frame to chi1-frame # chi3-frame to chi2-frame # chi4-frame to chi3-frame # luckily all rotation axes for the next frame start at (0,0,0) of the # previous frame for chi_idx in range(1, 4): if chi_angles_mask[restype][chi_idx]: axis_end_atom_name = chi_angles_atoms[resname][chi_idx][2] axis_end_atom_position = atom_positions[axis_end_atom_name] mat = _make_rigid_transformation_4x4( ex=axis_end_atom_position, ey=np.array([-1.0, 0.0, 0.0]), translation=axis_end_atom_position, ) restype_rigid_group_default_frame[ restype, 4 + chi_idx, :, : ] = mat _make_rigid_group_constants() def make_atom14_dists_bounds( overlap_tolerance=1.5, bond_length_tolerance_factor=15 ): """compute upper and lower bounds for bonds to assess violations.""" restype_atom14_bond_lower_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_upper_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_stddev = np.zeros([21, 14, 14], np.float32) residue_bonds, residue_virtual_bonds, _ = load_stereo_chemical_props() for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_list = restype_name_to_atom14_names[resname] # create lower and upper bounds for clashes for atom1_idx, atom1_name in enumerate(atom_list): if not atom1_name: continue atom1_radius = van_der_waals_radius[atom1_name[0]] for atom2_idx, atom2_name in enumerate(atom_list): if (not atom2_name) or atom1_idx == atom2_idx: continue atom2_radius = van_der_waals_radius[atom2_name[0]] lower = atom1_radius + atom2_radius - overlap_tolerance upper = 1e10 restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper # overwrite lower and upper bounds for bonds and angles for b in residue_bonds[resname] + residue_virtual_bonds[resname]: atom1_idx = atom_list.index(b.atom1_name) atom2_idx = atom_list.index(b.atom2_name) lower = b.length - bond_length_tolerance_factor * b.stddev upper = b.length + bond_length_tolerance_factor * b.stddev restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper restype_atom14_bond_stddev[ restype, atom1_idx, atom2_idx ] = b.stddev restype_atom14_bond_stddev[ restype, atom2_idx, atom1_idx ] = b.stddev return { "lower_bound": restype_atom14_bond_lower_bound, # shape (21,14,14) "upper_bound": restype_atom14_bond_upper_bound, # shape (21,14,14) "stddev": restype_atom14_bond_stddev, # shape (21,14,14) } ================================================ FILE: src/byprot/utils/protein/tokenize_pdb.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 import argparse import os import warnings from glob import glob import torch import torch.utils from biotite.sequence.io import fasta from tqdm.auto import tqdm from byprot.datamodules.pdb_dataset import utils as du from byprot.datamodules.pdb_dataset.pdb_datamodule import ( PdbDataset, collate_fn, ) from byprot.models.utils import get_struct_tokenizer from byprot.utils import get_logger, recursive_to warnings.filterwarnings("ignore") torch.set_float32_matmul_precision("high") log = get_logger(__name__) def load_from_pdb(pdb_path, process_chain=PdbDataset.process_chain): raw_chain_feats, metadata = du.process_pdb_file(pdb_path) chain_feats = process_chain(raw_chain_feats) chain_feats["pdb_name"] = metadata["pdb_name"] return chain_feats @torch.no_grad() def run_tokenize(struct_tokenizer, input_pdb_folder, output_dir): all_data = [] for pdb_path in glob(os.path.join(input_pdb_folder, "*.pdb")): log.info(f"Processing {pdb_path}") # predicted structures feats = load_from_pdb( pdb_path, process_chain=struct_tokenizer.process_chain ) feats["pdb_path"] = pdb_path feats["header"] = feats["pdb_name"] all_data.append(feats) dataloader = torch.utils.data.DataLoader( all_data, batch_size=1, shuffle=False, drop_last=False, collate_fn=collate_fn, ) all_header_struct_seq = [] all_header_aa_seq = [] pbar = tqdm(dataloader) device = next(struct_tokenizer.parameters()).device for batch in pbar: pdb_name = batch["pdb_name"][0] pbar.set_description( f"Tokenize: {pdb_name} (L={batch['seq_length'][0]})" ) batch = recursive_to(batch, device) struct_ids = struct_tokenizer.tokenize( batch["all_atom_positions"], batch["res_mask"], batch["seq_length"] ) struct_seq = struct_tokenizer.struct_ids_to_seq( struct_ids.cpu().tolist()[0] ) all_header_struct_seq.append((pdb_name, struct_seq)) aa_seq = du.aatype_to_seq(batch["aatype"].cpu().tolist()[0]) all_header_aa_seq.append((pdb_name, aa_seq)) output_struct_fasta_path = os.path.join(output_dir, "struct_seq.fasta") fasta.FastaFile.write_iter(output_struct_fasta_path, all_header_struct_seq) output_aa_fasta_path = os.path.join(output_dir, "aa_seq.fasta") fasta.FastaFile.write_iter(output_aa_fasta_path, all_header_aa_seq) def main(): parser = argparse.ArgumentParser() parser.add_argument( "--input_pdb_folder", type=str, default="/path/to/input/pdb/folder" ) parser.add_argument( "--output_dir", type=str, default="./generation-results/tokenized_protein", ) args = parser.parse_args() struct_tokenizer = get_struct_tokenizer() struct_tokenizer = struct_tokenizer.cuda() run_tokenize(struct_tokenizer, args.input_pdb_folder, args.output_dir) if __name__ == "__main__": main() ================================================ FILE: src/byprot/utils/protein/utils.py ================================================ # Copyright (c) 2025 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 # # This file has been modified by Xinyou Wang on May 15, 2025 # # Original file was released under MIT, with the full license text # available at https://github.com/jasonkyuyim/multiflow/blob/main/LICENSE # # This modified file is released under the same license. """Utility functions for experiments.""" import glob import logging import math import os import random import re import shutil import subprocess import GPUtil import mdtraj as md import numpy as np import pandas as pd import torch import torch.distributed as dist from biotite.sequence.io import fasta from openfold.np import residue_constants from openfold.utils import rigid_utils from openfold.utils import rigid_utils as ru from openfold.utils.superimposition import superimpose from pytorch_lightning.utilities.rank_zero import rank_zero_only from torch.nn import functional as F from byprot.datamodules.pdb_dataset import utils as du CA_IDX = residue_constants.atom_order["CA"] Rigid = rigid_utils.Rigid class LengthDataset(torch.utils.data.Dataset): def __init__(self, samples_cfg): self._samples_cfg = samples_cfg all_sample_lengths = range( self._samples_cfg.min_length, self._samples_cfg.max_length + 1, self._samples_cfg.length_step, ) if samples_cfg.length_subset is not None: all_sample_lengths = [int(x) for x in samples_cfg.length_subset] all_sample_ids = [] num_batch = self._samples_cfg.num_batch if num_batch <= 0: num_batch = self._samples_cfg.samples_per_length assert self._samples_cfg.samples_per_length % num_batch == 0 self.n_samples = self._samples_cfg.samples_per_length // num_batch for length in all_sample_lengths: for sample_id in range(self.n_samples): sample_ids = torch.tensor( [num_batch * sample_id + i for i in range(num_batch)] ) all_sample_ids.append((length, sample_ids)) self._all_sample_ids = all_sample_ids def __len__(self): return len(self._all_sample_ids) def __getitem__(self, idx): num_res, sample_id = self._all_sample_ids[idx] batch = { "sample_id": sample_id, "seq_length": torch.full( (sample_id.shape[0],), num_res, dtype=torch.long ), "seq": torch.zeros( (sample_id.shape[0], num_res), dtype=torch.long ), } return batch def dataset_creation(dataset_class, cfg, task): train_dataset = dataset_class( dataset_cfg=cfg, task=task, is_training=True, ) eval_dataset = dataset_class( dataset_cfg=cfg, task=task, is_training=False, ) return train_dataset, eval_dataset def get_available_device(num_device): return GPUtil.getAvailable(order="memory", limit=8)[:num_device] def run_easy_cluster(designable_dir, output_dir): # designable_dir should be a directory with individual PDB files in it that we want to cluster # output_dir is where we are going to save the easy cluster output files # Returns the number of clusters easy_cluster_args = [ "foldseek", "easy-cluster", designable_dir, os.path.join(output_dir, "res"), output_dir, "--alignment-type", "1", "--cov-mode", "0", "--min-seq-id", "0", "--tmscore-threshold", "0.5", ] process = subprocess.Popen( easy_cluster_args, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) stdout, stderr = process.communicate() # print(stdout, stderr) del stdout # We don't actually need the stdout, we will read the number of clusters from the output files rep_seq_fasta = fasta.FastaFile.read( os.path.join(output_dir, "res_rep_seq.fasta") ) return len(rep_seq_fasta) def get_all_top_samples(output_dir, csv_fname="*/*/top_sample.csv"): all_csv_paths = glob.glob( os.path.join(output_dir, csv_fname), recursive=True ) top_sample_csv = pd.concat([pd.read_csv(x) for x in all_csv_paths]) top_sample_csv.to_csv( os.path.join(output_dir, "all_top_samples.csv"), index=False ) return top_sample_csv def calculate_diversity( output_dir, metrics_df, top_sample_csv, designable_csv_path ): designable_samples = top_sample_csv[top_sample_csv.designable] designable_dir = os.path.join(output_dir, "designable") os.makedirs(designable_dir, exist_ok=True) designable_txt = os.path.join(designable_dir, "designable.txt") if os.path.exists(designable_txt): os.remove(designable_txt) with open(designable_txt, "w") as f: for sample_id, (_, row) in enumerate(designable_samples.iterrows()): sample_path = row.sample_path sample_name = f"sample_id_{sample_id}_length_{row.length}.pdb" write_path = os.path.join(designable_dir, sample_name) shutil.copy(sample_path, write_path) f.write(write_path + "\n") if metrics_df["Total codesignable"].iloc[0] <= 1: metrics_df["Clusters"] = metrics_df["Total codesignable"].iloc[0] else: add_diversity_metrics(designable_dir, metrics_df, designable_csv_path) def add_diversity_metrics(designable_dir, designable_csv, designable_csv_path): designable_txt = os.path.join(designable_dir, "designable.txt") clusters = run_easy_cluster(designable_dir, designable_dir) designable_csv["Clusters"] = clusters designable_csv.to_csv(designable_csv_path, index=False) def calculate_pmpnn_consistency( output_dir, designable_csv, designable_csv_path ): sample_dirs = glob.glob(os.path.join(output_dir, "length_*/sample_*")) average_accs = [] max_accs = [] for sample_dir in sample_dirs: pmpnn_fasta_path = os.path.join( sample_dir, "self_consistency", "seqs", "sample_modified.fasta" ) codesign_fasta_path = os.path.join( sample_dir, "self_consistency", "codesign_seqs", "codesign.fa" ) pmpnn_fasta = fasta.FastaFile.read(pmpnn_fasta_path) codesign_fasta = fasta.FastaFile.read(codesign_fasta_path) codesign_seq = codesign_fasta["codesign_seq_1"] accs = [] for seq in pmpnn_fasta: num_matches = sum( [ 1 if pmpnn_fasta[seq][i] == codesign_seq[i] else 0 for i in range(len(pmpnn_fasta[seq])) ] ) total_length = len(pmpnn_fasta[seq]) accs.append(num_matches / total_length) average_accs.append(np.mean(accs)) max_accs.append(np.max(accs)) designable_csv["Average PMPNN Consistency"] = np.mean(average_accs) designable_csv["Average Max PMPNN Consistency"] = np.mean(max_accs) designable_csv.to_csv(designable_csv_path, index=False) def calculate_pmpnn_designability( output_dir, designable_csv, designable_csv_path, all_mpnn_folds_df_path="pmpnn_results.csv", ): sample_dirs = glob.glob(os.path.join(output_dir, "length_*/sample_*")) try: single_pmpnn_results = [] top_pmpnn_results = [] for sample_dir in sample_dirs: all_pmpnn_folds_df = pd.read_csv( os.path.join(sample_dir, all_mpnn_folds_df_path) ) single_pmpnn_fold_df = all_pmpnn_folds_df.iloc[[0]] single_pmpnn_results.append(single_pmpnn_fold_df) min_index = all_pmpnn_folds_df["bb_rmsd"].idxmin() top_pmpnn_df = all_pmpnn_folds_df.loc[[min_index]] top_pmpnn_results.append(top_pmpnn_df) single_pmpnn_results_df = pd.concat( single_pmpnn_results, ignore_index=True ) top_pmpnn_results_df = pd.concat(top_pmpnn_results, ignore_index=True) designable_csv["Single seq PMPNN Designability"] = np.mean( # single_pmpnn_results_df["bb_rmsd"].to_numpy() < 2.0 single_pmpnn_results_df["bb_tmscore"].to_numpy() >= 0.5 ) designable_csv["Top seq PMPNN Designability"] = np.mean( # top_pmpnn_results_df["bb_rmsd"].to_numpy() < 2.0 top_pmpnn_results_df["bb_tmscore"].to_numpy() >= 0.5 ) designable_csv.to_csv(designable_csv_path, index=False) except Exception as e: # TODO i think it breaks when one process gets here first print(f"calculate pmpnn designability didnt work: {e}") def get_pylogger(name=__name__) -> logging.Logger: """Initializes multi-GPU-friendly python command line logger.""" logger = logging.getLogger(name) # this ensures all logging levels get marked with the rank zero decorator # otherwise logs would get multiplied for each GPU process in multi-GPU setup logging_levels = ( "debug", "info", "warning", "error", "exception", "fatal", "critical", ) for level in logging_levels: setattr(logger, level, rank_zero_only(getattr(logger, level))) return logger def get_ddp_info(): local_rank = int(os.environ["LOCAL_RANK"]) rank = dist.get_rank() world_size = dist.get_world_size() node_id = rank // world_size return { "node_id": node_id, "local_rank": local_rank, "rank": rank, "world_size": world_size, } def flatten_dict(raw_dict): """Flattens a nested dict.""" flattened = [] for k, v in raw_dict.items(): if isinstance(v, dict): flattened.extend([(f"{k}:{i}", j) for i, j in flatten_dict(v)]) else: flattened.append((k, v)) return flattened def save_traj( sample: np.ndarray, bb_prot_traj: np.ndarray, x0_traj: np.ndarray, diffuse_mask: np.ndarray, output_dir: str, aa_traj=None, clean_aa_traj=None, write_trajectories=True, omit_missing_residue=False, ): """Writes final sample and reverse diffusion trajectory. Args: bb_prot_traj: [noisy_T, N, 37, 3] atom37 sampled diffusion states. T is number of time steps. First time step is t=eps, i.e. bb_prot_traj[0] is the final sample after reverse diffusion. N is number of residues. x0_traj: [clean_T, N, 37, 3] atom37 predictions of clean data at each time step. res_mask: [N] residue mask. diffuse_mask: [N] which residues are diffused. output_dir: where to save samples. aa_traj: [noisy_T, N] amino acids (0 - 20 inclusive). clean_aa_traj: [clean_T, N] amino acids (0 - 20 inclusive). write_trajectories: bool Whether to also write the trajectories as well as the final sample Returns: Dictionary with paths to saved samples. 'sample_path': PDB file of final state of reverse trajectory. 'traj_path': PDB file os all intermediate diffused states. 'x0_traj_path': PDB file of C-alpha x_0 predictions at each state. b_factors are set to 100 for diffused residues residues if there are any. """ # Write sample. diffuse_mask = diffuse_mask.astype(bool) sample_path = os.path.join(output_dir, "sample.pdb") prot_traj_path = os.path.join(output_dir, "bb_traj.pdb") x0_traj_path = os.path.join(output_dir, "x0_traj.pdb") # Use b-factors to specify which residues are diffused. b_factors = np.tile((diffuse_mask * 100)[:, None], (1, 37)) noisy_traj_length, num_res, _, _ = bb_prot_traj.shape clean_traj_length = x0_traj.shape[0] assert sample.shape == (num_res, 37, 3) assert bb_prot_traj.shape == (noisy_traj_length, num_res, 37, 3) assert x0_traj.shape == (clean_traj_length, num_res, 37, 3) if aa_traj is not None: assert aa_traj.shape == (noisy_traj_length, num_res) assert clean_aa_traj is not None assert clean_aa_traj.shape == (clean_traj_length, num_res) sample_path = write_prot_to_pdb( sample, sample_path, b_factors=b_factors, no_indexing=True, aatype=aa_traj[-1] if aa_traj is not None else None, omit_missing_residue=omit_missing_residue, ) if write_trajectories: prot_traj_path = write_prot_to_pdb( bb_prot_traj, prot_traj_path, b_factors=b_factors, no_indexing=True, aatype=aa_traj, omit_missing_residue=omit_missing_residue, ) x0_traj_path = write_prot_to_pdb( x0_traj, x0_traj_path, b_factors=b_factors, no_indexing=True, aatype=clean_aa_traj, omit_missing_residue=omit_missing_residue, ) return { "sample_path": sample_path, "traj_path": prot_traj_path, "x0_traj_path": x0_traj_path, } def get_dataset_cfg(cfg): if cfg.data.dataset == "pdb": return cfg.pdb_dataset else: raise ValueError(f"Unrecognized dataset {cfg.data.dataset}") import os import re import numpy as np from byprot.datamodules.pdb_dataset import protein def create_full_prot( atom37: np.ndarray, atom37_mask: np.ndarray, aatype=None, b_factors=None, ): assert atom37.ndim == 3 assert atom37.shape[-1] == 3 assert atom37.shape[-2] == 37 n = atom37.shape[0] residue_index = np.arange(n) chain_index = np.zeros(n) if b_factors is None: b_factors = np.zeros([n, 37]) if aatype is None: aatype = np.zeros(n, dtype=int) return protein.Protein( atom_positions=atom37, atom_mask=atom37_mask, aatype=aatype, residue_index=residue_index, chain_index=chain_index, b_factors=b_factors, ) def write_prot_to_pdb( prot_pos: np.ndarray, file_path: str, aatype: np.ndarray = None, overwrite=False, no_indexing=False, b_factors=None, omit_missing_residue=True, atom37_mask=None, ): if overwrite: max_existing_idx = 0 else: file_dir = os.path.dirname(file_path) file_name = os.path.basename(file_path).strip(".pdb") existing_files = [x for x in os.listdir(file_dir) if file_name in x] max_existing_idx = max( [ int(re.findall(r"_(\d+).pdb", x)[0]) for x in existing_files if re.findall(r"_(\d+).pdb", x) if re.findall(r"_(\d+).pdb", x) ] + [0] ) if not no_indexing: save_path = ( file_path.replace(".pdb", "") + f"_{max_existing_idx+1}.pdb" ) else: save_path = file_path with open(save_path, "w") as f: if prot_pos.ndim == 4: for t, pos37 in enumerate(prot_pos): atom37_mask = np.sum(np.abs(pos37), axis=-1) > 1e-7 prot = create_full_prot( pos37, atom37_mask, aatype=aatype, b_factors=b_factors ) pdb_prot = protein.to_pdb(prot, model=t + 1, add_end=False) f.write(pdb_prot) elif prot_pos.ndim == 3: if atom37_mask is None: atom37_mask = np.sum(np.abs(prot_pos), axis=-1) > 1e-7 if not omit_missing_residue: prot_pos[~atom37_mask] = np.nan atom37_mask[..., :3] = True atom37_mask[..., 4] = True prot = create_full_prot( prot_pos, atom37_mask, aatype=aatype, b_factors=b_factors ) pdb_prot = protein.to_pdb(prot, model=1, add_end=False) f.write(pdb_prot) else: raise ValueError(f"Invalid positions shape {prot_pos.shape}") f.write("END") return save_path # def rigids_to_se3_vec(frame, scale_factor=1.0): # trans = frame[:, 4:] * scale_factor # rotvec = Rotation.from_quat(frame[:, :4]).as_rotvec() # se3_vec = np.concatenate([rotvec, trans], axis=-1) # return se3_vec def calc_distogram(pos, min_bin, max_bin, num_bins): dists_2d = torch.linalg.norm( pos[:, :, None, :] - pos[:, None, :, :], axis=-1 )[..., None] lower = torch.linspace(min_bin, max_bin, num_bins, device=pos.device) upper = torch.cat([lower[1:], lower.new_tensor([1e8])], dim=-1) dgram = ((dists_2d > lower) * (dists_2d < upper)).type(pos.dtype) return dgram def get_index_embedding(indices, embed_size, max_len=2056): """Creates sine / cosine positional embeddings from a prespecified indices. Args: indices: offsets of size [..., N_edges] of type integer max_len: maximum length. embed_size: dimension of the embeddings to create Returns: positional embedding of shape [N, embed_size] """ K = torch.arange(embed_size // 2, device=indices.device) pos_embedding_sin = torch.sin( indices[..., None] * math.pi / (max_len ** (2 * K[None] / embed_size)) ).to(indices.device) pos_embedding_cos = torch.cos( indices[..., None] * math.pi / (max_len ** (2 * K[None] / embed_size)) ).to(indices.device) pos_embedding = torch.cat([pos_embedding_sin, pos_embedding_cos], axis=-1) return pos_embedding def get_time_embedding(timesteps, embedding_dim, max_positions=2000): # Code from https://github.com/hojonathanho/diffusion/blob/master/diffusion_tf/nn.py assert len(timesteps.shape) == 1 timesteps = timesteps * max_positions half_dim = embedding_dim // 2 emb = math.log(max_positions) / (half_dim - 1) emb = torch.exp( torch.arange(half_dim, dtype=torch.float32, device=timesteps.device) * -emb ) emb = timesteps.float()[:, None] * emb[None, :] emb = torch.cat([torch.sin(emb), torch.cos(emb)], dim=1) if embedding_dim % 2 == 1: # zero pad emb = F.pad(emb, (0, 1), mode="constant") assert emb.shape == (timesteps.shape[0], embedding_dim) return emb def sinusoidal_encoding(v, N, D): """Taken from GENIE. Args: """ # v: [*] # [D] k = torch.arange(1, D + 1).to(v.device) # [*, D] sin_div_term = N ** (2 * k / D) sin_div_term = sin_div_term.view( *((1,) * len(v.shape) + (len(sin_div_term),)) ) sin_enc = torch.sin(v.unsqueeze(-1) * math.pi / sin_div_term) # [*, D] cos_div_term = N ** (2 * (k - 1) / D) cos_div_term = cos_div_term.view( *((1,) * len(v.shape) + (len(cos_div_term),)) ) cos_enc = torch.cos(v.unsqueeze(-1) * math.pi / cos_div_term) # [*, D] enc = torch.zeros_like(sin_enc).to(v.device) enc[..., 0::2] = cos_enc[..., 0::2] enc[..., 1::2] = sin_enc[..., 1::2] return enc.to(v.dtype) def distance(p, eps=1e-10): # [*, 2, 3] return (eps + torch.sum((p[..., 0, :] - p[..., 1, :]) ** 2, dim=-1)) ** 0.5 def dist_from_ca(trans): # [b, n_res, n_res, 1] d = distance( torch.stack( [ trans.unsqueeze(2).repeat(1, 1, trans.shape[1], 1), # Ca_1 trans.unsqueeze(1).repeat(1, trans.shape[1], 1, 1), # Ca_2 ], dim=-2, ) ).unsqueeze(-1) return d def calc_rbf(ca_dists, num_rbf, D_min=1e-3, D_max=22.0): # Distance radial basis function device = ca_dists.device D_mu = torch.linspace(D_min, D_max, num_rbf).to(device) D_mu = D_mu.view([1, 1, 1, -1]) D_sigma = (D_max - D_min) / num_rbf return torch.exp(-(((ca_dists - D_mu) / D_sigma) ** 2)) def t_stratified_loss(batch_t, batch_loss, num_bins=4, loss_name=None): """Stratify loss by binning t.""" batch_t = du.to_numpy(batch_t) batch_loss = du.to_numpy(batch_loss) flat_losses = batch_loss.flatten() flat_t = batch_t.flatten() bin_edges = np.linspace(0.0, 1.0 + 1e-3, num_bins + 1) bin_idx = np.sum(bin_edges[:, None] <= flat_t[None, :], axis=0) - 1 t_binned_loss = np.bincount(bin_idx, weights=flat_losses) t_binned_n = np.bincount(bin_idx) stratified_losses = {} if loss_name is None: loss_name = "loss" for t_bin in np.unique(bin_idx).tolist(): bin_start = bin_edges[t_bin] bin_end = bin_edges[t_bin + 1] t_range = f"{loss_name} t=[{bin_start:.2f},{bin_end:.2f})" range_loss = t_binned_loss[t_bin] / t_binned_n[t_bin] stratified_losses[t_range] = range_loss return stratified_losses def process_folded_outputs(sample_path, folded_output, true_bb_pos=None): mpnn_results = { "header": [], "sequence": [], "ca_rmsd": [], "bb_rmsd": [], "bb_tmscore": [], "mean_plddt": [], "folded_path": [], } if true_bb_pos is not None: true_ca_pos = true_bb_pos.reshape(-1, 3, 3)[..., CA_IDX, :] mpnn_results["ca_rmsd_to_gt"] = [] mpnn_results["bb_rmsd_to_gt"] = [] mpnn_results["bb_tmscore_to_gt"] = [] mpnn_results["fold_model_bb_rmsd_to_gt"] = [] sample_feats = du.parse_pdb_feats("sample", sample_path) sample_seq = du.aatype_to_seq(sample_feats["aatype"]) sample_ca_pos = sample_feats["bb_positions"] sample_bb_pos = sample_feats["atom_positions"][:, :3].reshape(-1, 3) def _calc_ca_rmsd(mask, sample_ca_pos, folded_ca_pos): if "7W2P" not in sample_path: rmsd = superimpose( torch.tensor(sample_ca_pos)[None], torch.tensor(folded_ca_pos[None]), mask, )[1].item() else: print("There is a superimpose error!") rmsd = 100.0 return rmsd def _calc_bb_rmsd(mask, sample_bb_pos, folded_bb_pos): if ( "7W2P" not in sample_path and "2o0a_A" not in sample_path and "4bg7_A" not in sample_path and "4l8o_A" not in sample_path and "5k29_A" not in sample_path ): rmsd = superimpose( torch.tensor(sample_bb_pos)[None], torch.tensor(folded_bb_pos)[None], mask[:, None].repeat(1, 3).reshape(-1), )[1].item() else: print("There is a superimpose error!") rmsd = 100.0 return rmsd def _calc_bb_tmscore(mask, sample_bb_pos, folded_bb_pos, sample_seq): if ( "7W2P" not in sample_path and "2o0a_A" not in sample_path and "4bg7_A" not in sample_path and "4l8o_A" not in sample_path and "5k29_A" not in sample_path ): bb_mask = mask[:, None].repeat(1, 3).bool() _sample_seq = "A" * mask.long().sum().item() _, tmscore = calc_tm_score( # torch.tensor(sample_bb_pos)[mask], # torch.tensor(folded_bb_pos)[mask], sample_bb_pos[bb_mask.reshape(-1)].reshape(-1, 3, 3), folded_bb_pos[bb_mask.reshape(-1)].reshape(-1, 3, 3), _sample_seq, _sample_seq, ) else: print("There is a superimpose error!") tmscore = 0.0 return tmscore if folded_output is None: folded_output = { "folded_path": [sample_path], "header": ["placeholder"], "plddt": [1.0], "seq": [sample_seq], } folded_output = pd.DataFrame(folded_output) for _, row in folded_output.iterrows(): folded_feats = du.parse_pdb_feats("folded", row.folded_path) seq = du.aatype_to_seq(folded_feats["aatype"]) folded_ca_pos = folded_feats["bb_positions"] folded_bb_pos = folded_feats["atom_positions"][:, :3].reshape(-1, 3) res_mask = torch.ones(folded_ca_pos.shape[0]) if true_bb_pos is not None: res_mask = torch.tensor(true_ca_pos).abs().sum(-1) > 1e-7 bb_rmsd_to_gt = _calc_bb_rmsd(res_mask, sample_bb_pos, true_bb_pos) ca_rmsd_to_gt = _calc_ca_rmsd(res_mask, sample_ca_pos, true_ca_pos) mpnn_results["bb_rmsd_to_gt"].append(bb_rmsd_to_gt) mpnn_results["ca_rmsd_to_gt"].append(ca_rmsd_to_gt) bb_tmscore_to_gt = _calc_bb_tmscore( res_mask, sample_bb_pos, true_bb_pos, sample_seq ) mpnn_results["bb_tmscore_to_gt"].append(bb_tmscore_to_gt) fold_model_bb_rmsd_to_gt = _calc_bb_rmsd( res_mask, folded_bb_pos, true_bb_pos ) mpnn_results["fold_model_bb_rmsd_to_gt"].append( fold_model_bb_rmsd_to_gt ) # fold_model_bb_tmscore_to_gt = _calc_bb_tmscore(res_mask, folded_bb_pos, true_bb_pos, seq) # mpnn_results["fold_model_bb_tmscore_to_gt"].append(fold_model_bb_tmscore_to_gt) bb_rmsd = _calc_bb_rmsd(res_mask, sample_bb_pos, folded_bb_pos) ca_rmsd = _calc_ca_rmsd(res_mask, sample_ca_pos, folded_ca_pos) bb_tmscore = _calc_bb_tmscore( res_mask, sample_bb_pos, folded_bb_pos, seq ) mpnn_results["bb_rmsd"].append(bb_rmsd) mpnn_results["ca_rmsd"].append(ca_rmsd) mpnn_results["bb_tmscore"].append(bb_tmscore) mpnn_results["folded_path"].append(row.folded_path) mpnn_results["header"].append(row.header) mpnn_results["sequence"].append(seq) mpnn_results["mean_plddt"].append(row.plddt) mpnn_results = pd.DataFrame(mpnn_results) mpnn_results["sample_path"] = sample_path return mpnn_results def extract_clusters_from_maxcluster_out(file_path): # Extracts cluster information from the stdout of a maxcluster run cluster_to_paths = {} paths_to_cluster = {} read_mode = False with open(file_path, "r") as file: lines = file.readlines() for line in lines: if line == "INFO : Item Cluster\n": read_mode = True continue if line == "INFO : ======================================\n": read_mode = False if read_mode: # Define a regex pattern to match the second number and the path pattern = r"INFO\s+:\s+\d+\s:\s+(\d+)\s+(\S+)" # Use re.search to find the first match in the string match = re.search(pattern, line) # Check if a match is found if match: # Extract the second number and the path cluster_id = match.group(1) path = match.group(2) if cluster_id not in cluster_to_paths: cluster_to_paths[cluster_id] = [path] else: cluster_to_paths[cluster_id].append(path) paths_to_cluster[path] = cluster_id else: raise ValueError(f"Could not parse line: {line}") return cluster_to_paths, paths_to_cluster def calc_mdtraj_metrics(pdb_path): try: traj = md.load(pdb_path) pdb_ss = md.compute_dssp(traj, simplified=True) pdb_coil_percent = np.mean(pdb_ss == "C") pdb_helix_percent = np.mean(pdb_ss == "H") pdb_strand_percent = np.mean(pdb_ss == "E") pdb_ss_percent = pdb_helix_percent + pdb_strand_percent pdb_rg = md.compute_rg(traj)[0] except IndexError as e: print("Error in calc_mdtraj_metrics: {}".format(e)) pdb_ss_percent = 0.0 pdb_coil_percent = 0.0 pdb_helix_percent = 0.0 pdb_strand_percent = 0.0 pdb_rg = 0.0 return { "non_coil_percent": pdb_ss_percent, "coil_percent": pdb_coil_percent, "helix_percent": pdb_helix_percent, "strand_percent": pdb_strand_percent, "radius_of_gyration": pdb_rg, } def calc_aatype_metrics(generated_aatypes): # generated_aatypes (B, N) unique_aatypes, raw_counts = np.unique( generated_aatypes, return_counts=True ) # pad with 0's in case it didn't generate any of a certain type clean_counts = [] for i in range(20): if i in unique_aatypes: clean_counts.append( raw_counts[np.where(unique_aatypes == i)[0][0]] ) else: clean_counts.append(0) # from the scope128 dataset reference_normalized_counts = [ 0.0739, 0.05378621, 0.0410424, 0.05732177, 0.01418736, 0.03995128, 0.07562267, 0.06695857, 0.02163064, 0.0580802, 0.09333149, 0.06777057, 0.02034217, 0.03673995, 0.04428474, 0.05987899, 0.05502958, 0.01228988, 0.03233601, 0.07551553, ] reference_normalized_counts = np.array(reference_normalized_counts) normalized_counts = clean_counts / np.sum(clean_counts) # compute the hellinger distance between the normalized counts # and the reference normalized counts hellinger_distance = np.sqrt( np.sum( np.square( np.sqrt(normalized_counts) - np.sqrt(reference_normalized_counts) ) ) ) return {"aatype_histogram_dist": hellinger_distance} def calc_ca_ca_metrics(ca_pos, bond_tol=0.1, clash_tol=1.0): ca_bond_dists = np.linalg.norm( ca_pos - np.roll(ca_pos, 1, axis=0), axis=-1 )[1:] ca_ca_dev = np.mean(np.abs(ca_bond_dists - residue_constants.ca_ca)) ca_ca_valid = np.mean(ca_bond_dists < (residue_constants.ca_ca + bond_tol)) ca_ca_dists2d = np.linalg.norm( ca_pos[:, None, :] - ca_pos[None, :, :], axis=-1 ) inter_dists = ca_ca_dists2d[np.where(np.triu(ca_ca_dists2d, k=0) > 0)] clashes = inter_dists < clash_tol return { "ca_ca_deviation": ca_ca_dev, "ca_ca_valid_percent": ca_ca_valid, "num_ca_ca_clashes": np.sum(clashes), } def calc_tm_score(pos_1, pos_2, seq_1, seq_2): from tmtools import tm_align tm_results = tm_align(np.float64(pos_1), np.float64(pos_2), seq_1, seq_2) return tm_results.tm_norm_chain1, tm_results.tm_norm_chain2 ================================================ FILE: src/byprot/utils/registry.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 from byprot.datamodules import DATAMODULE_REGISTRY from byprot.models import MODEL_REGISTRY from byprot.tasks import TASK_REGISTRY registry_dict = dict( datamodule=DATAMODULE_REGISTRY, task=TASK_REGISTRY, model=MODEL_REGISTRY ) def get_module(group_name, module_name): group = registry_dict.get(group_name, None) if group is None: raise KeyError( f"{group_name} is not a valid registry group {registry_dict.keys()}." ) return group.get(module_name) def get_registered_modules(group_name): group = registry_dict.get(group_name) if group is not None: return group.keys() else: raise KeyError( f"{group_name} is not a valid registry group {registry_dict.keys()}." ) __all__ = ["get_module", "get_registered_modules"] ================================================ FILE: src/byprot/utils/scaffold_utils.py ================================================ import os import random from copy import deepcopy from pprint import pprint import esm import esm.inverse_folding import torch from byprot import utils from byprot.datamodules.dataset.data_utils import PDBDataProcessor STRUCT_TYPE = 0 AA_TYPE = 1 single_res = ["1qjg"] scaffold_left = { "1PRW": [5, 20], "1BCF": [8, 15], "5TPN": [10, 40], "5IUS": [0, 30], "3IXT": [10, 40], "5YUI": [5, 30], "1QJG": [10, 20], "1YCR": [10, 40], "2KL8": [0, 0], "7MRX_60": [0, 38], "7MRX_85": [0, 63], "7MRX_128": [0, 122], "4JHW": [10, 25], "4ZYP": [10, 40], "5WN9": [10, 40], "5TRV_short": [0, 35], "5TRV_med": [0, 65], "5TRV_long": [0, 95], "6E6R_short": [0, 35], "6E6R_med": [0, 65], "6E6R_long": [0, 95], "6EXZ_short": [0, 35], "6EXZ_med": [0, 65], "6EXZ_long": [0, 95], } scaffold_right = { "1PRW": [5, 20], "1BCF": [8, 15], "5TPN": [10, 40], "5IUS": [0, 30], "3IXT": [10, 40], "5YUI": [10, 30], "1QJG": [10, 20], "1YCR": [10, 40], "2KL8": [0, 0], "7MRX_60": [0, 38], "7MRX_85": [0, 63], "7MRX_128": [0, 122], "4JHW": [10, 25], "4ZYP": [10, 40], "5WN9": [10, 40], "5TRV_short": [0, 35], "5TRV_med": [0, 65], "5TRV_long": [0, 95], "6E6R_short": [0, 35], "6E6R_med": [0, 65], "6E6R_long": [0, 95], "6EXZ_short": [0, 35], "6EXZ_med": [0, 65], "6EXZ_long": [0, 95], } motif_name_mapping = { "1PRW": "1prw", "1BCF": "1bcf", "5TPN": "5tpn", "5IUS": "5ius", "3IXT": "3ixt", "5YUI": "5yui", "1QJG": "1qjg", "1YCR": "1ycr", "2KL8": "2kl8", "7MRX_60": "7mrx", "7MRX_85": "7mrx", "7MRX_128": "7mrx", "4JHW": "4jhw", "4ZYP": "4zyp", "5WN9": "5wn9", "5TRV_short": "5trv", "5TRV_med": "5trv", "5TRV_long": "5trv", "6E6R_short": "6e6r", "6E6R_med": "6e6r", "6E6R_long": "6e6r", "6EXZ_short": "6exz", "6EXZ_med": "6exz", "6EXZ_long": "6exz", } scaffold_interval = { "1PRW": [[10, 25]], "1BCF": [[16, 30], [16, 30], [16, 30]], "5IUS": [[15, 40]], "5YUI": [[5, 20], [10, 35]], "1QJG": [[15, 30], [15, 30]], "2KL8": [[20, 20]], "4JHW": [[15, 30]], } total_length = { "1PRW": -1, "1BCF": -1, "5TPN": [50, 75], "5IUS": -1, "3IXT": [50, 75], "5YUI": [50, 100], "1QJG": -1, "1YCR": [40, 100], "2KL8": -1, "7MRX_60": [60, 60], "7MRX_85": [85, 85], "7MRX_128": [128, 128], "4JHW": [60, 90], "4ZYP": [30, 50], "5WN9": [35, 50], "5TRV_short": [56, 56], "5TRV_med": [86, 86], "5TRV_long": [116, 116], "6E6R_short": [48, 48], "6E6R_med": [78, 78], "6E6R_long": [108, 108], "6EXZ_short": [50, 50], "6EXZ_med": [80, 80], "6EXZ_long": [110, 110], } start_idx_dict = { "1prw": [15, 51], "1bcf": [90, 122, 46, 17], "5tpn": [108], "3ixt": [0], "4jhw": [144, 37], "4zyp": [357], "5wn9": [1], "5ius": [88, 34], "5yui": [89, 114, 194], "6vw1": [5, 45], "1qjg": [37, 13, 98], "1ycr": [2], "2kl8": [0, 27], "7mrx": [25], "5trv": [45], "6e6r": [22], "6exz": [25], } end_idx_dict = { "1prw": [34, 70], "1bcf": [98, 129, 53, 24], "5tpn": [126], "3ixt": [23], "4jhw": [159, 43], "4zyp": [371], "5wn9": [20], "5ius": [109, 53], "5yui": [93, 116, 196], "6vw1": [23, 63], "1qjg": [37, 13, 98], "1ycr": [10], "2kl8": [6, 78], "7mrx": [46], "5trv": [69], "6e6r": [34], "6exz": [39], } chain_dict = { "1prw": "A", "1bcf": "A", "5tpn": "A", "3ixt": "P", "4jhw": "F", "4zyp": "A", "5wn9": "A", "5ius": "A", "5yui": "A", "6vw1": "A", "1qjg": "A", "1ycr": "B", "2kl8": "A", "7mrx": "B", "5trv": "A", "6e6r": "A", "6exz": "A", } def get_intervals(list, single_res_domain=False): """Given a list (Tensor) of non-masked residues get new start and end index for motif placed in scaffold.""" if single_res_domain: start = [l.item() for l in list] stop = start else: start = [] stop = [] for i, item in enumerate(list): if i == 0: start.append(item.item()) elif i == (len(list) - 1): stop.append(item.item()) elif i != len(list) and (item + 1) != list[i + 1]: stop.append(item.item()) start.append(list[i + 1].item()) return start, stop def get_motif_dplm(pdb, ori_pdb): # Get motif of sequence from PDB code start_idxs = start_idx_dict[pdb] end_idxs = end_idx_dict[pdb] pdb_clean_path = os.path.join( "data-bin/scaffolding-pdbs/" + str(pdb) + "_clean.pdb" ) chain = chain_dict[pdb] chain_ids = [chain] structure = esm.inverse_folding.util.load_structure(pdb_clean_path, chain_ids) coords, native_seqs = ( esm.inverse_folding.multichain_util.extract_coords_from_complex(structure) ) sequence = native_seqs[chain_ids[0]] assert len(start_idxs) == len(end_idxs) sequence = list(sequence) end_idxs = [i + 1 for i in end_idxs] # inclusive of final residue if len(start_idxs) > 1: motif = [] for i in range(len(start_idxs)): motif += sequence[start_idxs[i] : end_idxs[i]] if i < (len(start_idxs) - 1): # spacer = start_idxs[i+1] - end_idxs[i] interval_start = scaffold_interval[ori_pdb][i][0] interval_end = scaffold_interval[ori_pdb][i][1] spacer = random.randint(interval_start, interval_end) motif += [""] * spacer else: motif = sequence[start_idxs[0] : end_idxs[0]] return motif def get_motif_dplm2(pdb_name, ori_pdb_name, motif_seq, mask_token, spacer_list=None): start_idxs = start_idx_dict[pdb_name] end_idxs = end_idx_dict[pdb_name] ret_spacer_list = [] assert len(start_idxs) == len(end_idxs) end_idxs = [i + 1 for i in end_idxs] # inclusive of final residue if len(start_idxs) > 1: motif = [] for i in range(len(start_idxs)): motif += motif_seq[start_idxs[i] : end_idxs[i]] if i < (len(start_idxs) - 1): if spacer_list is None: interval_start = scaffold_interval[ori_pdb_name][i][0] interval_end = scaffold_interval[ori_pdb_name][i][1] spacer = random.randint(interval_start, interval_end) ret_spacer_list.append(spacer) else: spacer = spacer_list[i] motif += [mask_token] * spacer else: motif = motif_seq[start_idxs[0] : end_idxs[0]] print("motif extracted from indexes supplied:", motif) return motif, ret_spacer_list # ==================================================================== # ==================== For DPLM motif-scaffolding ==================== # ==================================================================== def prepare_data(pdb_path, alphabet, collator, num_seqs, device): def _full_mask(target_tokens, coord_mask, alphabet): target_mask = ( target_tokens.ne(alphabet.padding_idx) # & mask & target_tokens.ne(alphabet.cls_idx) & target_tokens.ne(alphabet.eos_idx) ) _tokens = target_tokens.masked_fill(target_mask, alphabet.mask_idx) _mask = _tokens.eq(alphabet.mask_idx) & coord_mask return _tokens, _mask structure = PDBDataProcessor().parse_PDB(pdb_path) batch = collator([deepcopy(structure) for idx in range(num_seqs)]) prev_tokens, prev_token_mask = _full_mask( batch["tokens"], batch["coord_mask"], alphabet ) batch["prev_tokens"] = prev_tokens batch["prev_token_mask"] = prev_tokens.eq(alphabet.mask_idx) batch = utils.recursive_to(batch, device=device) return batch, structure["seq"] def get_initial_dplm(args, tokenizer, pdb, ori_pdb, device): num = args.num_seqs motif = get_motif_dplm(pdb, ori_pdb) mask = tokenizer.mask_token_id bos = tokenizer.cls_token_id eos = tokenizer.eos_token_id pad = tokenizer.pad_token_id init_seq = [] scaffold_length_list = [] for i in range(num): ## Process length length_compatible = False while length_compatible is False: scaffold_left_length = random.randint( scaffold_left[ori_pdb][0], scaffold_left[ori_pdb][1] ) motif = get_motif_dplm(pdb=pdb, ori_pdb=ori_pdb) motif_overall_length = len(motif) if total_length[ori_pdb] != -1: current_length_range = [ scaffold_left_length + motif_overall_length + scaffold_right[ori_pdb][0], scaffold_left_length + motif_overall_length + scaffold_right[ori_pdb][1], ] total_length_range = [ total_length[ori_pdb][0], total_length[ori_pdb][1], ] length_range = [ max(current_length_range[0], total_length_range[0]), min(current_length_range[1], total_length_range[1]), ] # NOT compatible if length_range[0] > length_range[1]: continue length_compatible = True scaffold_right_length = random.randint( length_range[0], length_range[1] ) - (scaffold_left_length + motif_overall_length) else: length_compatible = True scaffold_right_length = random.randint( scaffold_right[ori_pdb][0], scaffold_right[ori_pdb][1] ) overall_length = ( scaffold_left_length + motif_overall_length + scaffold_right_length ) scaffold_length_list.append(scaffold_left_length + scaffold_right_length) seq = ( [""] * scaffold_left_length + motif + [""] * scaffold_right_length ) assert len(seq) == overall_length seq = "".join(seq) init_seq.append(seq) batch = tokenizer.batch_encode_plus( init_seq, add_special_tokens=True, padding="longest", return_tensors="pt" ) batch = { "input_ids": batch["input_ids"], "input_mask": batch["attention_mask"].bool(), } batch = utils.recursive_to(batch, device) single_res_domain = pdb in single_res start_idxs_list = [] end_idxs_list = [] for seq in batch["input_ids"]: nonmask_locations = ( (seq != mask) & (seq != bos) & (seq != eos) & (seq != pad) ).nonzero().flatten() - 1 new_start_idxs, new_end_idxs = get_intervals( nonmask_locations, single_res_domain=single_res_domain ) start_idxs_list.append(new_start_idxs) end_idxs_list.append(new_end_idxs) pprint(batch) return batch, start_idxs_list, end_idxs_list, scaffold_length_list # ==================================================================== # =================== For DPLM-2 motif-scaffolding =================== # ==================================================================== def get_initial_dplm2(args, aa_seq, struct_seq, tokenizer, pdb, ori_pdb, device): init_aa_seq, init_struct_seq, scaffold_length_list = create_init_seq( pdb, ori_pdb, aa_seq, struct_seq, tokenizer, args ) batch = collate(tokenizer, init_aa_seq, init_struct_seq, args, device) pprint(batch) start_idxs_list, end_idxs_list = create_idxs_list(pdb, tokenizer, batch, args) batches = create_batches(batch, args) return batches, start_idxs_list, end_idxs_list, scaffold_length_list def create_init_seq(pdb, ori_pdb, aa_seq, struct_seq, tokenizer, args): num = args.num_seqs aa_mask_token = tokenizer.aa_mask_token aa_bos_token = tokenizer.aa_cls_token aa_eos_token = tokenizer.aa_eos_token struct_mask_token = tokenizer.struct_mask_token struct_bos_token = tokenizer.struct_cls_token struct_eos_token = tokenizer.struct_eos_token init_aa_seq = [] init_struct_seq = [] scaffold_length_list = [] for i in range(num): ## Process length length_compatible = False while length_compatible is False: scaffold_left_length = random.randint( scaffold_left[ori_pdb][0], scaffold_left[ori_pdb][1] ) motif_aa_seq, spacer_list = get_motif_dplm2( pdb_name=pdb, ori_pdb_name=ori_pdb, motif_seq=aa_seq, mask_token=aa_mask_token, ) motif_overall_length = len(motif_aa_seq) if total_length[ori_pdb] != -1: current_length_range = [ scaffold_left_length + motif_overall_length + scaffold_right[ori_pdb][0], scaffold_left_length + motif_overall_length + scaffold_right[ori_pdb][1], ] total_length_range = [ total_length[ori_pdb][0], total_length[ori_pdb][1], ] length_range = [ max(current_length_range[0], total_length_range[0]), min(current_length_range[1], total_length_range[1]), ] # NOT compatible if length_range[0] > length_range[1]: continue length_compatible = True scaffold_right_length = random.randint( length_range[0], length_range[1] ) - (scaffold_left_length + motif_overall_length) else: length_compatible = True scaffold_right_length = random.randint( scaffold_right[ori_pdb][0], scaffold_right[ori_pdb][1] ) overall_length = ( scaffold_left_length + motif_overall_length + scaffold_right_length ) scaffold_length_list.append(scaffold_left_length + scaffold_right_length) ## motif aa seq initialization seq = ( [aa_bos_token] + [aa_mask_token] * scaffold_left_length + motif_aa_seq + [aa_mask_token] * scaffold_right_length + [aa_eos_token] ) seq = "".join(seq) assert len( tokenizer(seq, add_special_tokens=False, padding=False)["input_ids"] ) == (overall_length + 2) init_aa_seq.append(seq) ## motif struct seq initialization motif_struct_seq, _ = get_motif_dplm2( pdb_name=pdb, ori_pdb_name=ori_pdb, motif_seq=struct_seq, mask_token=struct_mask_token, spacer_list=spacer_list, ) seq = ( [struct_bos_token] + [struct_mask_token] * scaffold_left_length + motif_struct_seq + [struct_mask_token] * scaffold_right_length + [struct_eos_token] ) seq = "".join(seq) assert len( tokenizer(seq, add_special_tokens=False, padding=False)["input_ids"] ) == (overall_length + 2) init_struct_seq.append(seq) return init_aa_seq, init_struct_seq, scaffold_length_list def collate(tokenizer, init_aa_seq, init_struct_seq, args, device): batch_aa = tokenizer.batch_encode_plus( init_aa_seq, add_special_tokens=False, padding="longest", return_tensors="pt" ) batch_aa = { "aa_ids": batch_aa["input_ids"], "aa_mask": batch_aa["attention_mask"].bool(), "aa_targets": batch_aa["input_ids"].clone(), } batch_struct = tokenizer.batch_encode_plus( init_struct_seq, add_special_tokens=False, padding="longest", return_tensors="pt", ) batch_struct = { "struct_ids": batch_struct["input_ids"], "struct_mask": batch_struct["attention_mask"].bool(), "struct_targets": batch_struct["input_ids"].clone(), } batch = { "input_ids": torch.cat( (batch_struct["struct_ids"], batch_aa["aa_ids"]), dim=-1 ), "input_mask": torch.cat( (batch_struct["struct_mask"], batch_aa["aa_mask"]), dim=-1 ), "targets": torch.cat( (batch_struct["struct_targets"], batch_aa["aa_targets"]), dim=-1 ), } batch.update(batch_struct) batch.update(batch_aa) # HACK: all amino acid token id < 33, while all struct token id >= 33 # 0 stands for struct, 1 stands for aa batch["type_ids"] = ((batch["input_ids"] < 33) & batch["input_mask"]).int() # 2 stands for padding batch["type_ids"].masked_fill_(~batch["input_mask"], 2) batch = utils.recursive_to(batch, device) # create partial mask aa_mask_idx = tokenizer.added_tokens_encoder[tokenizer.aa_mask_token] struct_mask_idx = tokenizer.added_tokens_encoder[tokenizer.struct_mask_token] partial_mask = ( batch["input_ids"].ne(aa_mask_idx) & batch["input_ids"].ne(struct_mask_idx) & batch["input_ids"].ne(tokenizer.pad_token_id) ).type_as(batch["input_mask"]) batch["partial_mask"] = partial_mask return batch def create_idxs_list(pdb, tokenizer, batch, args): # special tokens aa_mask_token = tokenizer.aa_mask_token aa_bos_token = tokenizer.aa_cls_token aa_eos_token = tokenizer.aa_eos_token single_res_domain = pdb in single_res start_idxs_list = [] end_idxs_list = [] pad_id = tokenizer.pad_token_id mask_id = tokenizer.added_tokens_encoder[aa_mask_token] bos_id = tokenizer.added_tokens_encoder[aa_bos_token] eos_id = tokenizer.added_tokens_encoder[aa_eos_token] get_intervals_seqs = batch["aa_ids"] for seq in get_intervals_seqs: nonmask_locations = ( (seq != mask_id) & (seq != bos_id) & (seq != eos_id) & (seq != pad_id) ).nonzero().flatten() - 1 new_start_idxs, new_end_idxs = get_intervals( nonmask_locations, single_res_domain=single_res_domain ) start_idxs_list.append(new_start_idxs) end_idxs_list.append(new_end_idxs) return start_idxs_list, end_idxs_list def create_batches(batch, args): num = args.num_seqs batches = [] start = 0 end = start + args.batch_size while end < num: new_batch = {} for k, v in batch.items(): new_batch[k] = v[start:end] batches.append(new_batch) start += args.batch_size end += args.batch_size assert end >= num # last batch if necessary if start < num: last_batch = {} for k, v in batch.items(): last_batch[k] = v[start:end] batches.append(last_batch) return batches ================================================ FILE: src/byprot/utils/strategies.py ================================================ import logging from typing import Dict, List, Union import torch from lightning_fabric.strategies.fsdp import ( _has_meta_device_parameters, _move_torchmetrics_to_device, _setup_activation_checkpointing, ) # from pytorch_lightning.strategies.fully_sharded import DDPFullyShardedStrategy # from pytorch_lightning.strategies.sharded import DDPShardedStrategy from pytorch_lightning.strategies import ( DDPStrategy, FSDPStrategy, StrategyRegistry, ) from pytorch_lightning.utilities.rank_zero import rank_zero_warn from torch.nn import Module # from pytorch_lightning.utilities.imports import _FAIRSCALE_AVAILABLE from torch.optim import Optimizer from typing_extensions import override log = logging.getLogger(__name__) class CPUInitFSDPStrategy(FSDPStrategy): @override def _setup_model(self, model: Module) -> Module: """Wraps the model into a :class:`~torch.distributed.fsdp.fully_sharded _data_parallel.FullyShardedDataParallel` module.""" from torch.distributed.fsdp import FullyShardedDataParallel if any( isinstance(mod, FullyShardedDataParallel) for mod in model.modules() ): if _has_meta_device_parameters(model): rank_zero_warn( "The model is already wrapped in `FSDP` but there are still parameters on the meta device." ) if "auto_wrap_policy" in self.kwargs: # The user has wrapped their submodules manually, don't apply the auto wrap policy. rank_zero_warn( "A FSDP `auto_wrap_policy` is set, but the model is already wrapped. The policy will be ignored." ) del self.kwargs["auto_wrap_policy"] else: log.debug( f"setting up FSDP model with device id: {self.root_device.index}, kwargs: {self.kwargs}" ) model = model.to(torch.device("cpu")) torch.cuda.set_device(self.root_device) model = FullyShardedDataParallel( module=model, cpu_offload=self.cpu_offload, mixed_precision=self.mixed_precision_config, sharding_strategy=self.sharding_strategy, # device_id=self.root_device.index, **self.kwargs, ) model = model.to(torch.device(self.root_device)) _move_torchmetrics_to_device(model, self.root_device) # activation checkpointing needs to be set up after wrapping the model _setup_activation_checkpointing( model, self._activation_checkpointing_kwargs ) return model ================================================ FILE: test.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 #!python import pyrootutils root = pyrootutils.setup_root( search_from=__file__, indicator=[".git", "pyproject.toml"], pythonpath=True, # load environment variables from `.env` file if it exists # recursively searches for `.env` in all folders starting from work dir dotenv=True, ) import dotenv import hydra from omegaconf import DictConfig @hydra.main(config_path=f"{root}/configs", config_name="test.yaml") def main(config: DictConfig): # Imports can be nested inside @hydra.main to optimize tab completion # https://github.com/facebookresearch/hydra/issues/934 from byprot import utils from byprot.testing_pipeline import test # resolve user provided config config = utils.resolve_experiment_config(config) # Applies optional utilities config = utils.extras(config) # Evaluate model return test(config) if __name__ == "__main__": main() ================================================ FILE: train.py ================================================ # Copyright (c) 2024 Bytedance Ltd. and/or its affiliates # SPDX-License-Identifier: Apache-2.0 #!python import pyrootutils # ------------------------------------------------------------------------------------ # # `pyrootutils.setup_root(...)` is recommended at the top of each start file # to make the environment more robust and consistent # # the line above searches for ".git" or "pyproject.toml" in present and parent dirs # to determine the project root dir # # adds root dir to the PYTHONPATH (if `pythonpath=True`) # so this file can be run from any place without installing project as a package # # sets PROJECT_ROOT environment variable which is used in "configs/paths/default.yaml" # this makes all paths relative to the project root # # additionally loads environment variables from ".env" file (if `dotenv=True`) # # you can get away without using `pyrootutils.setup_root(...)` if you: # 1. move this file to the project root dir or install project as a package # 2. modify paths in "configs/paths/default.yaml" to not use PROJECT_ROOT # 3. always run this file from the project root dir # # https://github.com/ashleve/pyrootutils # ------------------- root = pyrootutils.setup_root( search_from=__file__, indicator=[".git", "pyproject.toml"], pythonpath=True, # load environment variables from `.env` file if it exists # recursively searches for `.env` in all folders starting from work dir dotenv=True, ) import hydra from omegaconf import DictConfig @hydra.main( version_base="1.1", config_path=f"{root}/configs", config_name="config.yaml", ) def main(config: DictConfig): # Imports can be nested inside @hydra.main to optimize tab completion # https://github.com/facebookresearch/hydra/issues/934 from byprot import utils from byprot.training_pipeline import train # Applies optional utilities config = utils.extras(config) # Train model return train(config) if __name__ == "__main__": main() ================================================ FILE: vendor/openfold/CITATION.cff ================================================ cff-version: 1.2.0 preferred-citation: authors: - family-names: "Ahdritz" given-names: "Gustaf" orcid: https://orcid.org/0000-0001-8283-5324 - family-names: "Bouatta" given-names: "Nazim" orcid: https://orcid.org/0000-0002-6524-874X - family-names: "Kadyan" given-names: "Sachin" orcid: https://orcid.org/0000-0002-6079-7627 - family-names: "Xia" given-names: "Qinghui" - family-names: "Gerecke" given-names: "William" orcid: https://orcid.org/0000-0002-9777-6192 - family-names: "O'Donnell" given-names: "Timothy J" orcid: https://orcid.org/0000-0002-9949-069X - family-names: "Berenberg" given-names: "Daniel" orcid: https://orcid.org/0000-0003-4631-0947 - family-names: "Fisk" given-names: "Ian" - family-names: "Zanichelli" given-names: "Niccolò" orcid: https://orcid.org/0000-0002-3093-3587 - family-names: "Zhang" given-names: "Bo" orcid: https://orcid.org/0000-0002-9714-2827 - family-names: "Nowaczynski" given-names: "Arkadiusz" orcid: https://orcid.org/0000-0002-3351-9584 - family-names: "Wang" given-names: "Bei" orcid: https://orcid.org/0000-0003-4942-9652 - family-names: "Stepniewska-Dziubinska" given-names: "Marta M" orcid: https://orcid.org/0000-0003-4942-9652 - family-names: "Zhang" given-names: "Shang" orcid: https://orcid.org/0000-0003-0759-2080 - family-names: "Ojewole" given-names: "Adegoke" orcid: https://orcid.org/0000-0003-2661-4388 - family-names: "Guney" given-names: "Murat Efe" - family-names: "Biderman" given-names: "Stella" orcid: https://orcid.org/0000-0001-8228-1042 - family-names: "Watkins" given-names: "Andrew M" orcid: https://orcid.org/0000-0003-1617-1720 - family-names: "Ra" given-names: "Stephen" orcid: https://orcid.org/0000-0002-2820-0050 - family-names: "Lorenzo" given-names: "Pablo Ribalta" orcid: https://orcid.org/0000-0002-3657-8053 - family-names: "Nivon" given-names: "Lucas" - family-names: "Weitzner" given-names: "Brian" orcid: https://orcid.org/0000-0002-1909-0961 - family-names: "Ban" given-names: "Yih-En" orcid: https://orcid.org/0000-0003-3698-3574 - family-names: "Ban" given-names: "Yih-En Andrew" orcid: https://orcid.org/0000-0003-3698-3574 - family-names: "Sorger" given-names: "Peter K" orcid: https://orcid.org/0000-0002-3364-1838 - family-names: "Mostaque" given-names: "Emad" - family-names: "Zhang" given-names: "Zhao" orcid: https://orcid.org/0000-0001-5921-0035 - family-names: "Bonneau" given-names: "Richard" orcid: https://orcid.org/0000-0003-4354-7906 - family-names: "AlQuraishi" given-names: "Mohammed" orcid: https://orcid.org/0000-0001-6817-1322 title: "OpenFold: Retraining AlphaFold2 yields new insights into its learning mechanisms and capacity for generalization" type: article doi: 10.1101/2022.11.20.517210 doi: 10.1101/2022.11.20.517210 date-released: 2021-11-12 url: "https://doi.org/10.1101/2022.11.20.517210" ================================================ FILE: vendor/openfold/Dockerfile ================================================ FROM nvidia/cuda:11.3.1-cudnn8-devel-ubuntu18.04 # metainformation LABEL org.opencontainers.image.version = "1.0.0" LABEL org.opencontainers.image.authors = "Gustaf Ahdritz" LABEL org.opencontainers.image.source = "https://github.com/aqlaboratory/openfold" LABEL org.opencontainers.image.licenses = "Apache License 2.0" LABEL org.opencontainers.image.base.name="docker.io/nvidia/cuda:10.2-cudnn8-runtime-ubuntu18.04" RUN apt-key del 7fa2af80 RUN apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/7fa2af80.pub RUN apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/3bf863cc.pub RUN apt-get update && apt-get install -y wget libxml2 cuda-minimal-build-11-3 libcusparse-dev-11-3 libcublas-dev-11-3 libcusolver-dev-11-3 git RUN wget -P /tmp \ "https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh" \ && bash /tmp/Miniforge3-Linux-x86_64.sh -b -p /opt/conda \ && rm /tmp/Miniforge3-Linux-x86_64.sh ENV PATH /opt/conda/bin:$PATH COPY environment.yml /opt/openfold/environment.yml # installing into the base environment since the docker container wont do anything other than run openfold RUN mamba env update -n base --file /opt/openfold/environment.yml && mamba clean --all RUN export LD_LIBRARY_PATH=${CONDA_PREFIX}/lib:${LD_LIBRARY_PATH} COPY openfold /opt/openfold/openfold COPY scripts /opt/openfold/scripts COPY run_pretrained_openfold.py /opt/openfold/run_pretrained_openfold.py COPY train_openfold.py /opt/openfold/train_openfold.py COPY setup.py /opt/openfold/setup.py RUN wget -q -P /opt/openfold/openfold/resources \ https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt WORKDIR /opt/openfold RUN python3 setup.py install ================================================ FILE: vendor/openfold/LICENSE ================================================ Apache License Version 2.0, January 2004 http://www.apache.org/licenses/ TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION 1. 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See the License for the specific language governing permissions and limitations under the License. ================================================ FILE: vendor/openfold/README.md ================================================ ![header ](imgs/of_banner.png) _Figure: Comparison of OpenFold and AlphaFold2 predictions to the experimental structure of PDB 7KDX, chain B._ # OpenFold A faithful but trainable PyTorch reproduction of DeepMind's [AlphaFold 2](https://github.com/deepmind/alphafold). ## Features OpenFold carefully reproduces (almost) all of the features of the original open source inference code (v2.0.1). The sole exception is model ensembling, which fared poorly in DeepMind's own ablation testing and is being phased out in future DeepMind experiments. It is omitted here for the sake of reducing clutter. In cases where the *Nature* paper differs from the source, we always defer to the latter. OpenFold is trainable in full precision, half precision, or `bfloat16` with or without DeepSpeed, and we've trained it from scratch, matching the performance of the original. We've publicly released model weights and our training data — some 400,000 MSAs and PDB70 template hit files — under a permissive license. Model weights are available via scripts in this repository while the MSAs are hosted by the [Registry of Open Data on AWS (RODA)](https://registry.opendata.aws/openfold). Try out running inference for yourself with our [Colab notebook](https://colab.research.google.com/github/aqlaboratory/openfold/blob/main/notebooks/OpenFold.ipynb). OpenFold also supports inference using AlphaFold's official parameters, and vice versa (see `scripts/convert_of_weights_to_jax.py`). OpenFold has the following advantages over the reference implementation: - **Faster inference** on GPU, sometimes by as much as 2x. The greatest speedups are achieved on Ampere or higher architecture GPUs. - **Inference on extremely long chains**, made possible by our implementation of low-memory attention ([Rabe & Staats 2021](https://arxiv.org/pdf/2112.05682.pdf)). OpenFold can predict the structures of sequences with more than 4000 residues on a single A100, and even longer ones with CPU offloading. - **Custom CUDA attention kernels** modified from [FastFold](https://github.com/hpcaitech/FastFold)'s kernels support in-place attention during inference and training. They use 4x and 5x less GPU memory than equivalent FastFold and stock PyTorch implementations, respectively. - **Efficient alignment scripts** using the original AlphaFold HHblits/JackHMMER pipeline or [ColabFold](https://github.com/sokrypton/ColabFold)'s, which uses the faster MMseqs2 instead. We've used them to generate millions of alignments. - **FlashAttention** support greatly speeds up MSA attention. ## Installation (Linux) All Python dependencies are specified in `environment.yml`. For producing sequence alignments, you'll also need `kalign`, the [HH-suite](https://github.com/soedinglab/hh-suite), and one of {`jackhmmer`, [MMseqs2](https://github.com/soedinglab/mmseqs2) (nightly build)} installed on on your system. You'll need `git-lfs` to download OpenFold parameters. Finally, some download scripts require `aria2c` and `aws`. This package is currently supported for CUDA 11 and Pytorch 1.12 To install: 1. Clone the repository, e.g. `git clone https://github.com/aqlaboratory/openfold.git` 1. From the `openfold` repo: - Create a [Mamba]("https://github.com/conda-forge/miniforge/releases/latest/download/) environment, e.g. `mamba env create -n openfold_env -f environment.yml` Mamba is recommended as the dependencies required by OpenFold are quite large and mamba can speed up the process. - Activate the environment, e.g `conda activate openfold_env` 1. Run `scripts/install_third_party_dependencies.sh` to configure kernels and folding resources. For some systems, it may help to append the Conda environment library path to `$LD_LIBRARY_PATH`. The `install_third_party_dependencies.sh` script does this once, but you may need this for each bash instance. ## Usage If you intend to generate your own alignments, e.g. for inference, you have two choices for downloading protein databases, depending on whether you want to use DeepMind's MSA generation pipeline (w/ HMMR & HHblits) or [ColabFold](https://github.com/sokrypton/ColabFold)'s, which uses the faster MMseqs2 instead. For the former, run: ```bash bash scripts/download_alphafold_dbs.sh data/ ``` For the latter, run: ```bash bash scripts/download_mmseqs_dbs.sh data/ # downloads .tar files bash scripts/prep_mmseqs_dbs.sh data/ # unpacks and preps the databases ``` Make sure to run the latter command on the machine that will be used for MSA generation (the script estimates how the precomputed database index used by MMseqs2 should be split according to the memory available on the system). If you're using your own precomputed MSAs or MSAs from the RODA repository, there's no need to download these alignment databases. Simply make sure that the `alignment_dir` contains one directory per chain and that each of these contains alignments (.sto, .a3m, and .hhr) corresponding to that chain. You can use `scripts/flatten_roda.sh` to reformat RODA downloads in this way. Note that the RODA alignments are NOT compatible with the recent .cif ground truth files downloaded by `scripts/download_alphafold_dbs.sh`. To fetch .cif files that match the RODA MSAs, once the alignments are flattened, use `scripts/download_roda_pdbs.sh`. That script outputs a list of alignment dirs for which matching .cif files could not be found. These should be removed from the alignment directory. Alternatively, you can use raw MSAs from [ProteinNet](https://github.com/aqlaboratory/proteinnet). After downloading that database, use `scripts/prep_proteinnet_msas.py` to convert the data into a format recognized by the OpenFold parser. The resulting directory becomes the `alignment_dir` used in subsequent steps. Use `scripts/unpack_proteinnet.py` to extract `.core` files from ProteinNet text files. For both inference and training, the model's hyperparameters can be tuned from `openfold/config.py`. Of course, if you plan to perform inference using DeepMind's pretrained parameters, you will only be able to make changes that do not affect the shapes of model parameters. For an example of initializing the model, consult `run_pretrained_openfold.py`. ### Inference To run inference on a sequence or multiple sequences using a set of DeepMind's pretrained parameters, run e.g.: ```bash python3 run_pretrained_openfold.py \ fasta_dir \ data/pdb_mmcif/mmcif_files/ \ --uniref90_database_path data/uniref90/uniref90.fasta \ --mgnify_database_path data/mgnify/mgy_clusters_2018_12.fa \ --pdb70_database_path data/pdb70/pdb70 \ --uniclust30_database_path data/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \ --output_dir ./ \ --bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \ --model_device "cuda:0" \ --jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \ --hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \ --hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \ --kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign \ --config_preset "model_1_ptm" \ --openfold_checkpoint_path openfold/resources/openfold_params/finetuning_ptm_2.pt ``` where `data` is the same directory as in the previous step. If `jackhmmer`, `hhblits`, `hhsearch` and `kalign` are available at the default path of `/usr/bin`, their `binary_path` command-line arguments can be dropped. If you've already computed alignments for the query, you have the option to skip the expensive alignment computation here with `--use_precomputed_alignments`. `--openfold_checkpoint_path` or `--jax_param_path` accept comma-delineated lists of .pt/DeepSpeed OpenFold checkpoints and AlphaFold's .npz JAX parameter files, respectively. For a breakdown of the differences between the different parameter files, see the README downloaded to `openfold/resources/openfold_params/`. Since OpenFold was trained under a newer training schedule than the one from which the `model_n` config presets are derived, there is no clean correspondence between `config_preset` settings and OpenFold checkpoints; the only restraints are that `*_ptm` checkpoints must be run with `*_ptm` config presets and that `_no_templ_` checkpoints are only compatible with template-less presets (`model_3` and above). Note that chunking (as defined in section 1.11.8 of the AlphaFold 2 supplement) is enabled by default in inference mode. To disable it, set `globals.chunk_size` to `None` in the config. If a value is specified, OpenFold will attempt to dynamically tune it, considering the chunk size specified in the config as a minimum. This tuning process automatically ensures consistently fast runtimes regardless of input sequence length, but it also introduces some runtime variability, which may be undesirable for certain users. It is also recommended to disable this feature for very long chains (see below). To do so, set the `tune_chunk_size` option in the config to `False`. For large-scale batch inference, we offer an optional tracing mode, which massively improves runtimes at the cost of a lengthy model compilation process. To enable it, add `--trace_model` to the inference command. To get a speedup during inference, enable [FlashAttention](https://github.com/HazyResearch/flash-attention) in the config. Note that it appears to work best for sequences with < 1000 residues. Input FASTA files containing multiple sequences are treated as complexes. In this case, the inference script runs AlphaFold-Gap, a hack proposed [here](https://twitter.com/minkbaek/status/1417538291709071362?lang=en), using the specified stock AlphaFold/OpenFold parameters (NOT AlphaFold-Multimer). To run inference with AlphaFold-Multimer, use the (experimental) `multimer` branch instead. To minimize memory usage during inference on long sequences, consider the following changes: - As noted in the AlphaFold-Multimer paper, the AlphaFold/OpenFold template stack is a major memory bottleneck for inference on long sequences. OpenFold supports two mutually exclusive inference modes to address this issue. One, `average_templates` in the `template` section of the config, is similar to the solution offered by AlphaFold-Multimer, which is simply to average individual template representations. Our version is modified slightly to accommodate weights trained using the standard template algorithm. Using said weights, we notice no significant difference in performance between our averaged template embeddings and the standard ones. The second, `offload_templates`, temporarily offloads individual template embeddings into CPU memory. The former is an approximation while the latter is slightly slower; both are memory-efficient and allow the model to utilize arbitrarily many templates across sequence lengths. Both are disabled by default, and it is up to the user to determine which best suits their needs, if either. - Inference-time low-memory attention (LMA) can be enabled in the model config. This setting trades off speed for vastly improved memory usage. By default, LMA is run with query and key chunk sizes of 1024 and 4096, respectively. These represent a favorable tradeoff in most memory-constrained cases. Powerusers can choose to tweak these settings in `openfold/model/primitives.py`. For more information on the LMA algorithm, see the aforementioned Staats & Rabe preprint. - Disable `tune_chunk_size` for long sequences. Past a certain point, it only wastes time. - As a last resort, consider enabling `offload_inference`. This enables more extensive CPU offloading at various bottlenecks throughout the model. - Disable FlashAttention, which seems unstable on long sequences. Using the most conservative settings, we were able to run inference on a 4600-residue complex with a single A100. Compared to AlphaFold's own memory offloading mode, ours is considerably faster; the same complex takes the more efficent AlphaFold-Multimer more than double the time. Use the `long_sequence_inference` config option to enable all of these interventions at once. The `run_pretrained_openfold.py` script can enable this config option with the `--long_sequence_inference` command line option #### SoloSeq Inference To run inference for a sequence using the SoloSeq single-sequence model, you can either precompute ESM-1b embeddings in bulk, or you can generate them during inference. For generating ESM-1b embeddings in bulk, use the provided script: `scripts/precompute_embeddings.py`. The script takes a directory of FASTA files (one sequence per file) and generates ESM-1b embeddings in the same format and directory structure as required by SoloSeq. Following is an example command to use the script: ```bash python scripts/precompute_embeddings.py fasta_dir/ embeddings_output_dir/ ``` In the same per-label subdirectories inside `embeddings_output_dir`, you can also place `*.hhr` files (outputs from HHSearch), which can contain the details about the structures that you want to use as templates. If you do not place any such file, templates will not be used and only the ESM-1b embeddings will be used to predict the structure. If you want to use templates, you need to pass the PDB MMCIF dataset to the command. Now, you are ready to run inference: ```bash python run_pretrained_openfold.py \ fasta_dir \ data/pdb_mmcif/mmcif_files/ \ --use_precomputed_alignments embeddings_output_dir \ --output_dir ./ \ --model_device "cuda:0" \ --config_preset "seq_model_esm1b_ptm" \ --openfold_checkpoint_path openfold/resources/openfold_params/seq_model_esm1b_ptm.pt ``` For generating the embeddings during inference, skip the `--use_precomputed_alignments` argument. The `*.hhr` files will be generated as well if you pass the paths to the relevant databases and tools, as specified in the command below. If you skip the database and tool arguments, HHSearch will not be used to find templates and only generated ESM-1b embeddings will be used to predict the structure. ```bash python3 run_pretrained_openfold.py \ fasta_dir \ data/pdb_mmcif/mmcif_files/ \ --output_dir ./ \ --model_device "cuda:0" \ --config_preset "seq_model_esm1b_ptm" \ --openfold_checkpoint_path openfold/resources/openfold_params/seq_model_esm1b_ptm.pt \ --uniref90_database_path data/uniref90/uniref90.fasta \ --pdb70_database_path data/pdb70/pdb70 \ --jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \ --hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \ --kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign \ ``` For generating template information, you will need the UniRef90 and PDB70 databases and the JackHmmer and HHSearch binaries. SoloSeq allows you to use the same flags and optimizations as the MSA-based OpenFold. For example, you can skip relaxation using `--skip_relaxation`, save all model outputs using `--save_outputs`, and generate output files in MMCIF format using `--cif_output`. **NOTE:** Due to the nature of the ESM-1b embeddings, the sequence length for inference using the SoloSeq model is limited to 1022 residues. Sequences longer than that will be truncated. ### Training To train the model, you will first need to precompute protein alignments. You have two options. You can use the same procedure DeepMind used by running the following: ```bash python3 scripts/precompute_alignments.py mmcif_dir/ alignment_dir/ \ --uniref90_database_path data/uniref90/uniref90.fasta \ --mgnify_database_path data/mgnify/mgy_clusters_2018_12.fa \ --pdb70_database_path data/pdb70/pdb70 \ --uniclust30_database_path data/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \ --bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \ --cpus_per_task 16 \ --jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \ --hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \ --hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \ --kalign_binary_path lib/conda/envs/openfold_venv/bin/kalign ``` As noted before, you can skip the `binary_path` arguments if these binaries are at `/usr/bin`. Expect this step to take a very long time, even for small numbers of proteins. Alternatively, you can generate MSAs with the ColabFold pipeline (and templates with HHsearch) with: ```bash python3 scripts/precompute_alignments_mmseqs.py input.fasta \ data/mmseqs_dbs \ uniref30_2103_db \ alignment_dir \ ~/MMseqs2/build/bin/mmseqs \ /usr/bin/hhsearch \ --env_db colabfold_envdb_202108_db --pdb70 data/pdb70/pdb70 ``` where `input.fasta` is a FASTA file containing one or more query sequences. To generate an input FASTA from a directory of mmCIF and/or ProteinNet .core files, we provide `scripts/data_dir_to_fasta.py`. Next, generate a cache of certain datapoints in the template mmCIF files: ```bash python3 scripts/generate_mmcif_cache.py \ mmcif_dir/ \ mmcif_cache.json \ --no_workers 16 ``` This cache is used to pre-filter templates. Next, generate a separate chain-level cache with data used for training-time data filtering: ```bash python3 scripts/generate_chain_data_cache.py \ mmcif_dir/ \ chain_data_cache.json \ --cluster_file clusters-by-entity-40.txt \ --no_workers 16 ``` where the `cluster_file` argument is a file of chain clusters, one cluster per line. Optionally, download an AlphaFold-style validation set from [CAMEO](https://cameo3d.org) using `scripts/download_cameo.py`. Use the resulting FASTA files to generate validation alignments and then specify the validation set's location using the `--val_...` family of training script flags. Finally, call the training script: ```bash python3 train_openfold.py mmcif_dir/ alignment_dir/ template_mmcif_dir/ output_dir/ \ 2021-10-10 \ --template_release_dates_cache_path mmcif_cache.json \ --precision bf16 \ --gpus 8 --use_distributed_sampler=True \ --seed 4242022 \ # in multi-gpu settings, the seed must be specified --deepspeed_config_path deepspeed_config.json \ --checkpoint_every_epoch \ --resume_from_ckpt ckpt_dir/ \ --train_chain_data_cache_path chain_data_cache.json \ --obsolete_pdbs_file_path obsolete.dat ``` where `--template_release_dates_cache_path` is a path to the mmCIF cache. Note that `template_mmcif_dir` can be the same as `mmcif_dir` which contains training targets. A suitable DeepSpeed configuration file can be generated with `scripts/build_deepspeed_config.py`. The training script is written with [PyTorch Lightning](https://github.com/PyTorchLightning/pytorch-lightning) and supports the full range of training options that entails, including multi-node distributed training, validation, and so on. For more information, consult PyTorch Lightning documentation and the `--help` flag of the training script. Note that, despite its variable name, `mmcif_dir` can also contain PDB files or even ProteinNet .core files. To emulate the AlphaFold training procedure, which uses a self-distillation set subject to special preprocessing steps, use the family of `--distillation` flags. In cases where it may be burdensome to create separate files for each chain's alignments, alignment directories can be consolidated using the scripts in `scripts/alignment_db_scripts/`. First, run `create_alignment_db.py` to consolidate an alignment directory into a pair of database and index files. Once all alignment directories (or shards of a single alignment directory) have been compiled, unify the indices with `unify_alignment_db_indices.py`. The resulting index, `super.index`, can be passed to the training script flags containing the phrase `alignment_index`. In this scenario, the `alignment_dir` flags instead represent the directory containing the compiled alignment databases. Both the training and distillation datasets can be compiled in this way. Anecdotally, this can speed up training in I/O-bottlenecked environments. ## Testing To run unit tests, use ```bash scripts/run_unit_tests.sh ``` The script is a thin wrapper around Python's `unittest` suite, and recognizes `unittest` arguments. E.g., to run a specific test verbosely: ```bash scripts/run_unit_tests.sh -v tests.test_model ``` Certain tests require that AlphaFold (v2.0.1) be installed in the same Python environment. These run components of AlphaFold and OpenFold side by side and ensure that output activations are adequately similar. For most modules, we target a maximum pointwise difference of `1e-4`. ## Building and using the docker container ### Building the docker image Openfold can be built as a docker container using the included dockerfile. To build it, run the following command from the root of this repository: ```bash docker build -t openfold . ``` ### Running the docker container The built container contains both `run_pretrained_openfold.py` and `train_openfold.py` as well as all necessary software dependencies. It does not contain the model parameters, sequence, or structural databases. These should be downloaded to the host machine following the instructions in the Usage section above. The docker container installs all conda components to the base conda environment in `/opt/conda`, and installs openfold itself in `/opt/openfold`, Before running the docker container, you can verify that your docker installation is able to properly communicate with your GPU by running the following command: ```bash docker run --rm --gpus all nvidia/cuda:11.0-base nvidia-smi ``` Note the `--gpus all` option passed to `docker run`. This option is necessary in order for the container to use the GPUs on the host machine. To run the inference code under docker, you can use a command like the one below. In this example, parameters and sequences from the alphafold dataset are being used and are located at `/mnt/alphafold_database` on the host machine, and the input files are located in the current working directory. You can adjust the volume mount locations as needed to reflect the locations of your data. ```bash docker run \ --gpus all \ -v $PWD/:/data \ -v /mnt/alphafold_database/:/database \ -ti openfold:latest \ python3 /opt/openfold/run_pretrained_openfold.py \ /data/fasta_dir \ /database/pdb_mmcif/mmcif_files/ \ --uniref90_database_path /database/uniref90/uniref90.fasta \ --mgnify_database_path /database/mgnify/mgy_clusters_2018_12.fa \ --pdb70_database_path /database/pdb70/pdb70 \ --uniclust30_database_path /database/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \ --output_dir /data \ --bfd_database_path /database/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \ --model_device cuda:0 \ --jackhmmer_binary_path /opt/conda/bin/jackhmmer \ --hhblits_binary_path /opt/conda/bin/hhblits \ --hhsearch_binary_path /opt/conda/bin/hhsearch \ --kalign_binary_path /opt/conda/bin/kalign \ --openfold_checkpoint_path /database/openfold_params/finetuning_ptm_2.pt ``` ## Copyright notice While AlphaFold's and, by extension, OpenFold's source code is licensed under the permissive Apache Licence, Version 2.0, DeepMind's pretrained parameters fall under the CC BY 4.0 license, a copy of which is downloaded to `openfold/resources/params` by the installation script. Note that the latter replaces the original, more restrictive CC BY-NC 4.0 license as of January 2022. ## Contributing If you encounter problems using OpenFold, feel free to create an issue! We also welcome pull requests from the community. ## Citing this work Please cite our paper: ```bibtex @article {Ahdritz2022.11.20.517210, author = {Ahdritz, Gustaf and Bouatta, Nazim and Floristean, Christina and Kadyan, Sachin and Xia, Qinghui and Gerecke, William and O{\textquoteright}Donnell, Timothy J and Berenberg, Daniel and Fisk, Ian and Zanichelli, Niccolò and Zhang, Bo and Nowaczynski, Arkadiusz and Wang, Bei and Stepniewska-Dziubinska, Marta M and Zhang, Shang and Ojewole, Adegoke and Guney, Murat Efe and Biderman, Stella and Watkins, Andrew M and Ra, Stephen and Lorenzo, Pablo Ribalta and Nivon, Lucas and Weitzner, Brian and Ban, Yih-En Andrew and Sorger, Peter K and Mostaque, Emad and Zhang, Zhao and Bonneau, Richard and AlQuraishi, Mohammed}, title = {{O}pen{F}old: {R}etraining {A}lpha{F}old2 yields new insights into its learning mechanisms and capacity for generalization}, elocation-id = {2022.11.20.517210}, year = {2022}, doi = {10.1101/2022.11.20.517210}, publisher = {Cold Spring Harbor Laboratory}, URL = {https://www.biorxiv.org/content/10.1101/2022.11.20.517210}, eprint = {https://www.biorxiv.org/content/early/2022/11/22/2022.11.20.517210.full.pdf}, journal = {bioRxiv} } ``` If you use OpenProteinSet, please also cite: ```bibtex @misc{ahdritz2023openproteinset, title={{O}pen{P}rotein{S}et: {T}raining data for structural biology at scale}, author={Gustaf Ahdritz and Nazim Bouatta and Sachin Kadyan and Lukas Jarosch and Daniel Berenberg and Ian Fisk and Andrew M. Watkins and Stephen Ra and Richard Bonneau and Mohammed AlQuraishi}, year={2023}, eprint={2308.05326}, archivePrefix={arXiv}, primaryClass={q-bio.BM} } ``` Any work that cites OpenFold should also cite AlphaFold. ================================================ FILE: vendor/openfold/deepspeed_config.json ================================================ { "fp16": { "enabled": false, "min_loss_scale": 1 }, "amp": { "enabled": false, "opt_level": "O2" }, "bfloat16": { "enabled": true }, "zero_optimization": { "stage": 2, "cpu_offload": true, "contiguous_gradients": true }, "activation_checkpointing": { "partition_activations": true, "cpu_checkpointing": false, "profile": false }, "gradient_clipping": 0.1 } ================================================ FILE: vendor/openfold/environment.yml ================================================ name: openfold-venv channels: - conda-forge - bioconda - pytorch dependencies: - python=3.9 - libgcc=7.2 - setuptools=59.5.0 - pip - openmm=7.7 - pdbfixer - cudatoolkit==11.3.* - pytorch-lightning==1.5.10 - biopython==1.79 - numpy==1.21 - PyYAML==5.4.1 - requests - scipy==1.7 - tqdm==4.62.2 - typing-extensions==3.10 - wandb==0.12.21 - modelcif==0.7 - awscli - ml-collections - aria2 - git - bioconda::hmmer==3.3.2 - bioconda::hhsuite==3.3.0 - bioconda::kalign2==2.04 - pytorch::pytorch=1.12.* - pip: - deepspeed==0.5.10 - dm-tree==0.1.6 - git+https://github.com/NVIDIA/dllogger.git - git+https://github.com/Dao-AILab/flash-attention.git@5b838a8 ================================================ FILE: vendor/openfold/notebooks/OpenFold.ipynb ================================================ { "nbformat": 4, "nbformat_minor": 0, "metadata": { "accelerator": "GPU", "colab": { "name": "OpenFold.ipynb", "provenance": [], "collapsed_sections": [] }, "kernelspec": { "display_name": "Python 3", "name": "python3" }, "language_info": { "name": "python" } }, "cells": [ { "cell_type": "markdown", "metadata": { "id": "pc5-mbsX9PZC" }, "source": [ "# OpenFold Colab\n", "\n", "Runs a simplified version of [OpenFold](https://github.com/aqlaboratory/openfold) on a target sequence. Adapted from DeepMind's [official AlphaFold Colab](https://colab.research.google.com/github/deepmind/alphafold/blob/main/notebooks/AlphaFold.ipynb).\n", "\n", "**Differences to AlphaFold v2.0**\n", "\n", "OpenFold is a trainable PyTorch reimplementation of AlphaFold 2. For the purposes of inference, it is practically identical to the original (\"practically\" because ensembling is excluded from OpenFold (recycling is enabled, however)).\n", "\n", "In this notebook, OpenFold is run with your choice of our original OpenFold parameters or DeepMind's publicly released parameters for AlphaFold 2.\n", "\n", "**Note**\n", "\n", "Like DeepMind's official Colab, this notebook uses **no templates (homologous structures)** and a selected portion of the full [BFD database](https://bfd.mmseqs.com/).\n", "\n", "**Citing this work**\n", "\n", "Any publication that discloses findings arising from using this notebook should [cite](https://github.com/deepmind/alphafold/#citing-this-work) DeepMind's [AlphaFold paper](https://doi.org/10.1038/s41586-021-03819-2).\n", "\n", "**Licenses**\n", "\n", "This Colab supports inference with the [AlphaFold model parameters](https://github.com/deepmind/alphafold/#model-parameters-license), made available under the Creative Commons Attribution 4.0 International ([CC BY 4.0](https://creativecommons.org/licenses/by/4.0/legalcode)) license. The Colab itself is provided under the [Apache 2.0 license](https://www.apache.org/licenses/LICENSE-2.0). See the full license statement below.\n", "\n", "**More information**\n", "\n", "You can find more information about how AlphaFold/OpenFold works in DeepMind's two Nature papers:\n", "\n", "* [AlphaFold methods paper](https://www.nature.com/articles/s41586-021-03819-2)\n", "* [AlphaFold predictions of the human proteome paper](https://www.nature.com/articles/s41586-021-03828-1)\n", "\n", "FAQ on how to interpret AlphaFold/OpenFold predictions are [here](https://alphafold.ebi.ac.uk/faq)." ] }, { "cell_type": "code", "metadata": { "id": "rowN0bVYLe9n", "cellView": "form" }, "source": [ "#@markdown ### Enter the amino acid sequence to fold ⬇️\n", "sequence = 'MAAHKGAEHHHKAAEHHEQAAKHHHAAAEHHEKGEHEQAAHHADTAYAHHKHAEEHAAQAAKHDAEHHAPKPH' #@param {type:\"string\"}\n", "\n", "#@markdown ### Configure the model ⬇️\n", "\n", "weight_set = 'OpenFold' #@param [\"OpenFold\", \"AlphaFold\"]\n", "relax_prediction = True #@param {type:\"boolean\"}\n", "\n", "# Remove all whitespaces, tabs and end lines; upper-case\n", "sequence = sequence.translate(str.maketrans('', '', ' \\n\\t')).upper()\n", "aatypes = set('ACDEFGHIKLMNPQRSTVWY') # 20 standard aatypes\n", "if not set(sequence).issubset(aatypes):\n", " raise Exception(f'Input sequence contains non-amino acid letters: {set(sequence) - aatypes}. OpenFold only supports 20 standard amino acids as inputs.')\n", "\n", "#@markdown After making your selections, execute this cell by pressing the\n", "#@markdown *Play* button on the left." ], "execution_count": null, "outputs": [] }, { "cell_type": "code", "metadata": { "id": "woIxeCPygt7K", "cellView": "form" }, "source": [ "#@title Install third-party software\n", "#@markdown Please execute this cell by pressing the *Play* button on \n", "#@markdown the left.\n", "\n", "\n", "#@markdown **Note**: This installs the software on the Colab \n", "#@markdown notebook in the cloud and not on your computer.\n", "\n", "import sys\n", "from IPython.utils import io\n", "import os\n", "import subprocess\n", "import tqdm.notebook\n", "\n", "TQDM_BAR_FORMAT = '{l_bar}{bar}| {n_fmt}/{total_fmt} [elapsed: {elapsed} remaining: {remaining}]'\n", "\n", "python_version = '.'.join(sys.version.split('.')[:2]) #get string like \"3.9\"\n", "\n", "try:\n", " with io.capture_output() as captured:\n", " %shell sudo apt install --quiet --yes hmmer\n", "\n", " # Install py3dmol.\n", " %shell pip install py3dmol\n", "\n", " %shell rm -rf /opt/conda\n", " %shell wget -q -P /tmp \\\n", " https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh \\\n", " && bash /tmp/Miniconda3-latest-Linux-x86_64.sh -b -p /opt/conda \\\n", " && rm /tmp/Miniconda3-latest-Linux-x86_64.sh\n", "\n", " PATH=%env PATH\n", " %env PATH=/opt/conda/bin:{PATH}\n", "\n", " # Install the required versions of all dependencies.\n", " %shell conda install -y -q conda==4.13.0\n", " %shell conda install -y -q -c conda-forge -c bioconda \\\n", " kalign2=2.04 \\\n", " hhsuite=3.3.0 \\\n", " python={python_version} \\\n", " openmm=7.7.0 \\\n", " pdbfixer \\\n", " 2>&1 1>/dev/null\n", " %shell pip install -q \\\n", " ml-collections==0.1.0 \\\n", " PyYAML==5.4.1 \\\n", " biopython==1.79 \\\n", " modelcif==0.7\n", "\n", " # Create a ramdisk to store a database chunk to make Jackhmmer run fast.\n", " %shell sudo mkdir -m 777 --parents /tmp/ramdisk\n", " %shell sudo mount -t tmpfs -o size=9G ramdisk /tmp/ramdisk\n", "\n", " %shell wget -q -P /content \\\n", " https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt\n", "\n", " # Install AWS CLI\n", " %shell curl \"https://awscli.amazonaws.com/awscli-exe-linux-x86_64.zip\" -o \"awscliv2.zip\"\n", " %shell unzip -qq awscliv2.zip\n", " %shell sudo ./aws/install\n", " %shell rm awscliv2.zip\n", " %shell rm -rf ./aws\n", "except subprocess.CalledProcessError as captured:\n", " print(captured)\n", " raise" ], "execution_count": null, "outputs": [] }, { "cell_type": "code", "metadata": { "id": "VzJ5iMjTtoZw", "cellView": "form" }, "source": [ "#@title Install OpenFold\n", "#@markdown Please execute this cell by pressing the *Play* button on \n", "#@markdown the left.\n", "\n", "# Define constants\n", "GIT_REPO='https://github.com/aqlaboratory/openfold'\n", "ALPHAFOLD_PARAM_SOURCE_URL = 'https://storage.googleapis.com/alphafold/alphafold_params_2022-01-19.tar'\n", "OPENFOLD_PARAMS_DIR = './openfold/openfold/resources/openfold_params'\n", "ALPHAFOLD_PARAMS_DIR = './openfold/openfold/resources/params'\n", "ALPHAFOLD_PARAMS_PATH = os.path.join(\n", " ALPHAFOLD_PARAMS_DIR, os.path.basename(ALPHAFOLD_PARAM_SOURCE_URL)\n", ")\n", "\n", "try:\n", " with io.capture_output() as captured:\n", " # Run setup.py to install only Openfold.\n", " %shell rm -rf openfold\n", " %shell git clone \"{GIT_REPO}\" openfold 2>&1 1> /dev/null\n", " %shell mkdir -p /content/openfold/openfold/resources\n", " %shell cp -f /content/stereo_chemical_props.txt /content/openfold/openfold/resources\n", " %shell /usr/bin/python3 -m pip install -q ./openfold\n", "\n", " if(weight_set == 'AlphaFold'):\n", " %shell mkdir --parents \"{ALPHAFOLD_PARAMS_DIR}\"\n", " %shell wget -O {ALPHAFOLD_PARAMS_PATH} {ALPHAFOLD_PARAM_SOURCE_URL}\n", " %shell tar --extract --verbose --file=\"{ALPHAFOLD_PARAMS_PATH}\" \\\n", " --directory=\"{ALPHAFOLD_PARAMS_DIR}\" --preserve-permissions\n", " %shell rm \"{ALPHAFOLD_PARAMS_PATH}\"\n", " elif(weight_set == 'OpenFold'):\n", " %shell mkdir --parents \"{OPENFOLD_PARAMS_DIR}\"\n", " %shell aws s3 cp \\\n", " --no-sign-request \\\n", " --region us-east-1 \\\n", " s3://openfold/openfold_params \"{OPENFOLD_PARAMS_DIR}\" \\\n", " --recursive\n", " else:\n", " raise ValueError(\"Invalid weight set\")\n", "except subprocess.CalledProcessError as captured:\n", " print(captured)\n", " raise" ], "execution_count": null, "outputs": [] }, { "cell_type": "code", "source": [ "#@title Import Python packages\n", "#@markdown Please execute this cell by pressing the *Play* button on \n", "#@markdown the left.\n", "\n", "import unittest.mock\n", "import sys\n", "\n", "sys.path.insert(0, f'/usr/local/lib/python{python_version}/site-packages/')\n", "sys.path.append(f'/opt/conda/lib/python{python_version}/site-packages')\n", "\n", "# Allows us to skip installing these packages\n", "unnecessary_modules = [\n", " \"dllogger\",\n", " \"pytorch_lightning\",\n", " \"pytorch_lightning.utilities\",\n", " \"pytorch_lightning.callbacks.early_stopping\",\n", " \"pytorch_lightning.utilities.seed\",\n", "]\n", "for unnecessary_module in unnecessary_modules:\n", " sys.modules[unnecessary_module] = unittest.mock.MagicMock()\n", "\n", "import os\n", "\n", "from urllib import request\n", "from concurrent import futures\n", "from google.colab import files\n", "import json\n", "from matplotlib import gridspec\n", "import matplotlib.pyplot as plt\n", "import numpy as np\n", "import py3Dmol\n", "import torch\n", "import shutil\n", "\n", "# Prevent shell magic being broken by openmm, prevent this cryptic error:\n", "# \"NotImplementedError: A UTF-8 locale is required. Got ANSI_X3.4-1968\"\n", "import locale\n", "def getpreferredencoding(do_setlocale = True):\n", " return \"UTF-8\"\n", "locale.getpreferredencoding = getpreferredencoding\n", "\n", "# A filthy hack to avoid slow Linear layer initialization\n", "import openfold.model.primitives\n", "\n", "def __default_linear_init__(self, *args, **kwargs):\n", " return torch.nn.Linear.__init__(\n", " self, \n", " *args[:2], \n", " **{k:v for k,v in kwargs.items() if k == \"bias\"}\n", " )\n", "\n", "openfold.model.primitives.Linear.__init__ = __default_linear_init__\n", "\n", "from openfold import config\n", "from openfold.data import feature_pipeline\n", "from openfold.data import parsers\n", "from openfold.data import data_pipeline\n", "from openfold.data.tools import jackhmmer\n", "from openfold.model import model\n", "from openfold.np import protein\n", "from openfold.np.relax import relax\n", "from openfold.np.relax.utils import overwrite_b_factors\n", "from openfold.utils.import_weights import import_jax_weights_\n", "from openfold.utils.tensor_utils import tensor_tree_map\n", "\n", "from IPython import display\n", "from ipywidgets import GridspecLayout\n", "from ipywidgets import Output" ], "metadata": { "id": "_FpxxMo-mvcP", "cellView": "form" }, "execution_count": null, "outputs": [] }, { "cell_type": "markdown", "metadata": { "id": "W4JpOs6oA-QS" }, "source": [ "## Making a prediction\n", "\n", "Note that the search against databases and the actual prediction can take some time, from minutes to hours, depending on the length of the protein and what type of GPU you are allocated by Colab (see FAQ below)." ] }, { "cell_type": "code", "metadata": { "id": "2tTeTTsLKPjB", "cellView": "form" }, "source": [ "#@title Search against genetic databases\n", "\n", "#@markdown Once this cell has been executed, you will see\n", "#@markdown statistics about the multiple sequence alignment \n", "#@markdown (MSA) that will be used by OpenFold. In particular, \n", "#@markdown you’ll see how well each residue is covered by similar \n", "#@markdown sequences in the MSA.\n", "\n", "# --- Find the closest source ---\n", "test_url_pattern = 'https://storage.googleapis.com/alphafold-colab{:s}/latest/uniref90_2021_03.fasta.1'\n", "ex = futures.ThreadPoolExecutor(3)\n", "def fetch(source):\n", " request.urlretrieve(test_url_pattern.format(source))\n", " return source\n", "fs = [ex.submit(fetch, source) for source in ['', '-europe', '-asia']]\n", "source = None\n", "for f in futures.as_completed(fs):\n", " source = f.result()\n", " ex.shutdown()\n", " break\n", "\n", "# --- Search against genetic databases ---\n", "with open('target.fasta', 'wt') as f:\n", " f.write(f'>query\\n{sequence}')\n", "\n", "# Run the search against chunks of genetic databases (since the genetic\n", "# databases don't fit in Colab ramdisk).\n", "\n", "jackhmmer_binary_path = '/usr/bin/jackhmmer'\n", "dbs = []\n", "\n", "num_jackhmmer_chunks = {'uniref90': 59, 'smallbfd': 17, 'mgnify': 71}\n", "total_jackhmmer_chunks = sum(num_jackhmmer_chunks.values())\n", "with tqdm.notebook.tqdm(total=total_jackhmmer_chunks, bar_format=TQDM_BAR_FORMAT) as pbar:\n", " def jackhmmer_chunk_callback(i):\n", " pbar.update(n=1)\n", "\n", " pbar.set_description('Searching uniref90')\n", " jackhmmer_uniref90_runner = jackhmmer.Jackhmmer(\n", " binary_path=jackhmmer_binary_path,\n", " database_path=f'https://storage.googleapis.com/alphafold-colab{source}/latest/uniref90_2021_03.fasta',\n", " get_tblout=True,\n", " num_streamed_chunks=num_jackhmmer_chunks['uniref90'],\n", " streaming_callback=jackhmmer_chunk_callback,\n", " z_value=135301051)\n", " dbs.append(('uniref90', jackhmmer_uniref90_runner.query('target.fasta')))\n", "\n", " pbar.set_description('Searching smallbfd')\n", " jackhmmer_smallbfd_runner = jackhmmer.Jackhmmer(\n", " binary_path=jackhmmer_binary_path,\n", " database_path=f'https://storage.googleapis.com/alphafold-colab{source}/latest/bfd-first_non_consensus_sequences.fasta',\n", " get_tblout=True,\n", " num_streamed_chunks=num_jackhmmer_chunks['smallbfd'],\n", " streaming_callback=jackhmmer_chunk_callback,\n", " z_value=65984053)\n", " dbs.append(('smallbfd', jackhmmer_smallbfd_runner.query('target.fasta')))\n", "\n", " pbar.set_description('Searching mgnify')\n", " jackhmmer_mgnify_runner = jackhmmer.Jackhmmer(\n", " binary_path=jackhmmer_binary_path,\n", " database_path=f'https://storage.googleapis.com/alphafold-colab{source}/latest/mgy_clusters_2019_05.fasta',\n", " get_tblout=True,\n", " num_streamed_chunks=num_jackhmmer_chunks['mgnify'],\n", " streaming_callback=jackhmmer_chunk_callback,\n", " z_value=304820129)\n", " dbs.append(('mgnify', jackhmmer_mgnify_runner.query('target.fasta')))\n", "\n", "\n", "# --- Extract the MSAs and visualize ---\n", "# Extract the MSAs from the Stockholm files.\n", "# NB: deduplication happens later in data_pipeline.make_msa_features.\n", "\n", "mgnify_max_hits = 501\n", "\n", "msas = []\n", "deletion_matrices = []\n", "full_msa = []\n", "for db_name, db_results in dbs:\n", " unsorted_results = []\n", " for i, result in enumerate(db_results):\n", " msa, deletion_matrix, target_names = parsers.parse_stockholm(result['sto'])\n", " e_values_dict = parsers.parse_e_values_from_tblout(result['tbl'])\n", " e_values = [e_values_dict[t.split('/')[0]] for t in target_names]\n", " zipped_results = zip(msa, deletion_matrix, target_names, e_values)\n", " if i != 0:\n", " # Only take query from the first chunk\n", " zipped_results = [x for x in zipped_results if x[2] != 'query']\n", " unsorted_results.extend(zipped_results)\n", " sorted_by_evalue = sorted(unsorted_results, key=lambda x: x[3])\n", " db_msas, db_deletion_matrices, _, _ = zip(*sorted_by_evalue)\n", " if db_msas:\n", " if db_name == 'mgnify':\n", " db_msas = db_msas[:mgnify_max_hits]\n", " db_deletion_matrices = db_deletion_matrices[:mgnify_max_hits]\n", " full_msa.extend(db_msas)\n", " msas.append(db_msas)\n", " deletion_matrices.append(db_deletion_matrices)\n", " msa_size = len(set(db_msas))\n", " print(f'{msa_size} Sequences Found in {db_name}')\n", "\n", "deduped_full_msa = list(dict.fromkeys(full_msa))\n", "total_msa_size = len(deduped_full_msa)\n", "print(f'\\n{total_msa_size} Sequences Found in Total\\n')\n", "\n", "aa_map = {restype: i for i, restype in enumerate('ABCDEFGHIJKLMNOPQRSTUVWXYZ-')}\n", "msa_arr = np.array([[aa_map[aa] for aa in seq] for seq in deduped_full_msa])\n", "num_alignments, num_res = msa_arr.shape\n", "\n", "fig = plt.figure(figsize=(12, 3))\n", "plt.title('Per-Residue Count of Non-Gap Amino Acids in the MSA')\n", "plt.plot(np.sum(msa_arr != aa_map['-'], axis=0), color='black')\n", "plt.ylabel('Non-Gap Count')\n", "plt.yticks(range(0, num_alignments + 1, max(1, int(num_alignments / 3))))\n", "plt.show()" ], "execution_count": null, "outputs": [] }, { "cell_type": "code", "metadata": { "id": "XUo6foMQxwS2", "cellView": "form" }, "source": [ "#@title Run OpenFold and download prediction\n", "\n", "#@markdown Once this cell has been executed, a zip-archive with \n", "#@markdown the obtained prediction will be automatically downloaded \n", "#@markdown to your computer.\n", "\n", "# Color bands for visualizing plddt\n", "PLDDT_BANDS = [\n", " (0, 50, '#FF7D45'),\n", " (50, 70, '#FFDB13'),\n", " (70, 90, '#65CBF3'),\n", " (90, 100, '#0053D6')\n", "]\n", "\n", "# --- Run the model ---\n", "model_names = [ \n", " 'finetuning_3.pt', \n", " 'finetuning_4.pt', \n", " 'finetuning_5.pt', \n", " 'finetuning_ptm_2.pt',\n", " 'finetuning_no_templ_ptm_1.pt'\n", "]\n", "\n", "def _placeholder_template_feats(num_templates_, num_res_):\n", " return {\n", " 'template_aatype': np.zeros((num_templates_, num_res_, 22), dtype=np.int64),\n", " 'template_all_atom_positions': np.zeros((num_templates_, num_res_, 37, 3), dtype=np.float32),\n", " 'template_all_atom_mask': np.zeros((num_templates_, num_res_, 37), dtype=np.float32),\n", " 'template_domain_names': np.zeros((num_templates_,), dtype=np.float32),\n", " 'template_sum_probs': np.zeros((num_templates_, 1), dtype=np.float32),\n", " }\n", "\n", "output_dir = 'prediction'\n", "os.makedirs(output_dir, exist_ok=True)\n", "\n", "plddts = {}\n", "pae_outputs = {}\n", "unrelaxed_proteins = {}\n", "\n", "with tqdm.notebook.tqdm(total=len(model_names) + 1, bar_format=TQDM_BAR_FORMAT) as pbar:\n", " for i, model_name in list(enumerate(model_names)):\n", " pbar.set_description(f'Running {model_name}')\n", " num_templates = 1 # dummy number --- is ignored\n", " num_res = len(sequence)\n", " \n", " feature_dict = {}\n", " feature_dict.update(data_pipeline.make_sequence_features(sequence, 'test', num_res))\n", " feature_dict.update(data_pipeline.make_msa_features(msas, deletion_matrices=deletion_matrices))\n", " feature_dict.update(_placeholder_template_feats(num_templates, num_res))\n", "\n", " if(weight_set == \"AlphaFold\"):\n", " config_preset = f\"model_{i}\"\n", " else:\n", " if(\"_no_templ_\" in model_name):\n", " config_preset = \"model_3\"\n", " else:\n", " config_preset = \"model_1\"\n", " if(\"_ptm_\" in model_name):\n", " config_preset += \"_ptm\"\n", "\n", " cfg = config.model_config(config_preset)\n", " openfold_model = model.AlphaFold(cfg)\n", " openfold_model = openfold_model.eval()\n", " if(weight_set == \"AlphaFold\"):\n", " params_name = os.path.join(\n", " ALPHAFOLD_PARAMS_DIR, f\"params_{config_preset}.npz\"\n", " )\n", " import_jax_weights_(openfold_model, params_name, version=config_preset)\n", " elif(weight_set == \"OpenFold\"):\n", " params_name = os.path.join(\n", " OPENFOLD_PARAMS_DIR,\n", " model_name,\n", " )\n", " d = torch.load(params_name)\n", " openfold_model.load_state_dict(d)\n", " else:\n", " raise ValueError(f\"Invalid weight set: {weight_set}\")\n", "\n", " openfold_model = openfold_model.cuda()\n", "\n", " pipeline = feature_pipeline.FeaturePipeline(cfg.data)\n", " processed_feature_dict = pipeline.process_features(\n", " feature_dict, mode='predict'\n", " )\n", "\n", " processed_feature_dict = tensor_tree_map(\n", " lambda t: t.cuda(), processed_feature_dict\n", " )\n", "\n", " with torch.no_grad():\n", " prediction_result = openfold_model(processed_feature_dict)\n", "\n", " # Move the batch and output to np for further processing\n", " processed_feature_dict = tensor_tree_map(\n", " lambda t: np.array(t[..., -1].cpu()), processed_feature_dict\n", " )\n", " prediction_result = tensor_tree_map(\n", " lambda t: np.array(t.cpu()), prediction_result\n", " )\n", "\n", " mean_plddt = prediction_result['plddt'].mean()\n", "\n", " if 'predicted_aligned_error' in prediction_result:\n", " pae_outputs[model_name] = (\n", " prediction_result['predicted_aligned_error'],\n", " prediction_result['max_predicted_aligned_error']\n", " )\n", " else:\n", " # Get the pLDDT confidence metrics. Do not put pTM models here as they\n", " # should never get selected.\n", " plddts[model_name] = prediction_result['plddt']\n", "\n", " # Set the b-factors to the per-residue plddt.\n", " final_atom_mask = prediction_result['final_atom_mask']\n", " b_factors = prediction_result['plddt'][:, None] * final_atom_mask\n", " unrelaxed_protein = protein.from_prediction(\n", " processed_feature_dict, prediction_result, b_factors=b_factors\n", " )\n", " unrelaxed_proteins[model_name] = unrelaxed_protein\n", "\n", " # Delete unused outputs to save memory.\n", " del openfold_model\n", " del processed_feature_dict\n", " del prediction_result\n", " pbar.update(n=1)\n", "\n", " # Find the best model according to the mean pLDDT.\n", " best_model_name = max(plddts.keys(), key=lambda x: plddts[x].mean())\n", " best_pdb = protein.to_pdb(unrelaxed_proteins[best_model_name])\n", "\n", " # --- AMBER relax the best model ---\n", " if(relax_prediction):\n", " pbar.set_description(f'AMBER relaxation')\n", " amber_relaxer = relax.AmberRelaxation(\n", " max_iterations=0,\n", " tolerance=2.39,\n", " stiffness=10.0,\n", " exclude_residues=[],\n", " max_outer_iterations=20,\n", " use_gpu=False,\n", " )\n", " relaxed_pdb, _, _ = amber_relaxer.process(\n", " prot=unrelaxed_proteins[best_model_name]\n", " )\n", " best_pdb = relaxed_pdb\n", "\n", " # Write out the prediction\n", " pred_output_path = os.path.join(output_dir, 'selected_prediction.pdb')\n", " with open(pred_output_path, 'w') as f:\n", " f.write(best_pdb)\n", "\n", " pbar.update(n=1) # Finished AMBER relax.\n", "\n", "# Construct multiclass b-factors to indicate confidence bands\n", "# 0=very low, 1=low, 2=confident, 3=very high\n", "banded_b_factors = []\n", "for plddt in plddts[best_model_name]:\n", " for idx, (min_val, max_val, _) in enumerate(PLDDT_BANDS):\n", " if plddt >= min_val and plddt <= max_val:\n", " banded_b_factors.append(idx)\n", " break\n", "banded_b_factors = np.array(banded_b_factors)[:, None] * final_atom_mask\n", "to_visualize_pdb = overwrite_b_factors(best_pdb, banded_b_factors)\n", "\n", "# --- Visualise the prediction & confidence ---\n", "show_sidechains = True\n", "def plot_plddt_legend():\n", " \"\"\"Plots the legend for pLDDT.\"\"\"\n", " thresh = [\n", " 'Very low (pLDDT < 50)',\n", " 'Low (70 > pLDDT > 50)',\n", " 'Confident (90 > pLDDT > 70)',\n", " 'Very high (pLDDT > 90)']\n", "\n", " colors = [x[2] for x in PLDDT_BANDS]\n", "\n", " plt.figure(figsize=(2, 2))\n", " for c in colors:\n", " plt.bar(0, 0, color=c)\n", " plt.legend(thresh, frameon=False, loc='center', fontsize=20)\n", " plt.xticks([])\n", " plt.yticks([])\n", " ax = plt.gca()\n", " ax.spines['right'].set_visible(False)\n", " ax.spines['top'].set_visible(False)\n", " ax.spines['left'].set_visible(False)\n", " ax.spines['bottom'].set_visible(False)\n", " plt.title('Model Confidence', fontsize=20, pad=20)\n", " return plt\n", "\n", "# Color the structure by per-residue pLDDT\n", "color_map = {i: bands[2] for i, bands in enumerate(PLDDT_BANDS)}\n", "view = py3Dmol.view(width=800, height=600)\n", "view.addModelsAsFrames(to_visualize_pdb)\n", "style = {'cartoon': {\n", " 'colorscheme': {\n", " 'prop': 'b',\n", " 'map': color_map}\n", " }}\n", "if show_sidechains:\n", " style['stick'] = {}\n", "view.setStyle({'model': -1}, style)\n", "view.zoomTo()\n", "\n", "grid = GridspecLayout(1, 2)\n", "out = Output()\n", "with out:\n", " view.show()\n", "grid[0, 0] = out\n", "\n", "out = Output()\n", "with out:\n", " plot_plddt_legend().show()\n", "grid[0, 1] = out\n", "\n", "display.display(grid)\n", "\n", "# Display pLDDT and predicted aligned error (if output by the model).\n", "if pae_outputs:\n", " num_plots = 2\n", "else:\n", " num_plots = 1\n", "\n", "plt.figure(figsize=[8 * num_plots, 6])\n", "plt.subplot(1, num_plots, 1)\n", "plt.plot(plddts[best_model_name])\n", "plt.title('Predicted LDDT')\n", "plt.xlabel('Residue')\n", "plt.ylabel('pLDDT')\n", "\n", "if num_plots == 2:\n", " plt.subplot(1, 2, 2)\n", " pae, max_pae = list(pae_outputs.values())[0]\n", " plt.imshow(pae, vmin=0., vmax=max_pae, cmap='Greens_r')\n", " plt.colorbar(fraction=0.046, pad=0.04)\n", " plt.title('Predicted Aligned Error')\n", " plt.xlabel('Scored residue')\n", " plt.ylabel('Aligned residue')\n", "\n", "# Save pLDDT and predicted aligned error (if it exists)\n", "pae_output_path = os.path.join(output_dir, 'predicted_aligned_error.json')\n", "if pae_outputs:\n", " # Save predicted aligned error in the same format as the AF EMBL DB\n", " rounded_errors = np.round(pae.astype(np.float64), decimals=1)\n", " indices = np.indices((len(rounded_errors), len(rounded_errors))) + 1\n", " indices_1 = indices[0].flatten().tolist()\n", " indices_2 = indices[1].flatten().tolist()\n", " pae_data = json.dumps([{\n", " 'residue1': indices_1,\n", " 'residue2': indices_2,\n", " 'distance': rounded_errors.flatten().tolist(),\n", " 'max_predicted_aligned_error': max_pae.item()\n", " }],\n", " indent=None,\n", " separators=(',', ':'))\n", " with open(pae_output_path, 'w') as f:\n", " f.write(pae_data)\n", "\n", "\n", "# --- Download the predictions ---\n", "shutil.make_archive(base_name='prediction', format='zip', root_dir=output_dir)\n", "files.download(f'{output_dir}.zip')" ], "execution_count": null, "outputs": [] }, { "cell_type": "markdown", "metadata": { "id": "lUQAn5LYC5n4" }, "source": [ "### Interpreting the prediction\n", "\n", "Please see the [AlphaFold methods paper](https://www.nature.com/articles/s41586-021-03819-2) and the [AlphaFold predictions of the human proteome paper](https://www.nature.com/articles/s41586-021-03828-1), as well as [DeepMind's FAQ](https://alphafold.ebi.ac.uk/faq) on how to interpret AlphaFold/OpenFold predictions." ] }, { "cell_type": "markdown", "metadata": { "id": "jeb2z8DIA4om" }, "source": [ "## FAQ & Troubleshooting\n", "\n", "\n", "* How do I get a predicted protein structure for my protein?\n", " * Click on the _Connect_ button on the top right to get started.\n", " * Paste the amino acid sequence of your protein (without any headers) into the “Enter the amino acid sequence to fold”.\n", " * Run all cells in the Colab, either by running them individually (with the play button on the left side) or via _Runtime_ > _Run all._\n", " * The predicted protein structure will be downloaded once all cells have been executed. Note: This can take minutes to hours - see below.\n", "* How long will this take?\n", " * Downloading the OpenFold source code can take up to a few minutes.\n", " * Downloading and installing the third-party software can take up to a few minutes.\n", " * The search against genetic databases can take minutes to hours.\n", " * Running OpenFold and generating the prediction can take minutes to hours, depending on the length of your protein and on which GPU-type Colab has assigned you.\n", "* My Colab no longer seems to be doing anything, what should I do?\n", " * Some steps may take minutes to hours to complete.\n", " * Sometimes, running the \"installation\" cells more than once can corrupt the OpenFold installation.\n", " * If nothing happens or if you receive an error message, try restarting your Colab runtime via _Runtime_ > _Restart runtime_.\n", " * If this doesn’t help, reset your Colab runtime via _Runtime_ > _Factory reset runtime_.\n", "* How does what's run in this notebook compare to the full versions of Alphafold/Openfold?\n", " * This Colab version of OpenFold searches a selected portion of the BFD dataset and currently doesn’t use templates, so its accuracy is reduced in comparison to the full version, which is analogous to what's described in the [AlphaFold paper](https://doi.org/10.1038/s41586-021-03819-2) and [Github repo](https://github.com/deepmind/alphafold/). The full version of OpenFold can be run from our own [GitHub repo](https://github.com/aqlaboratory/openfold).\n", "* What is a Colab?\n", " * See the [Colab FAQ](https://research.google.com/colaboratory/faq.html).\n", "* I received a warning “Notebook requires high RAM”, what do I do?\n", " * The resources allocated to your Colab vary. See the [Colab FAQ](https://research.google.com/colaboratory/faq.html) for more details.\n", " * You can execute the Colab nonetheless.\n", "* I received an error “Colab CPU runtime not supported” or “No GPU/TPU found”, what do I do?\n", " * Colab CPU runtime is not supported. Try changing your runtime via _Runtime_ > _Change runtime type_ > _Hardware accelerator_ > _GPU_.\n", " * The type of GPU allocated to your Colab varies. See the [Colab FAQ](https://research.google.com/colaboratory/faq.html) for more details.\n", " * If you receive “Cannot connect to GPU backend”, you can try again later to see if Colab allocates you a GPU.\n", " * [Colab Pro](https://colab.research.google.com/signup) offers priority access to GPUs. \n", "* Does this tool install anything on my computer?\n", " * No, everything happens in the cloud on Google Colab.\n", " * At the end of the Colab execution a zip-archive with the obtained prediction will be automatically downloaded to your computer.\n", "* How should I share feedback and bug reports?\n", " * Please share any feedback and bug reports as an [issue](https://github.com/aqlaboratory/openfold/issues) on Github.\n" ] }, { "cell_type": "markdown", "metadata": { "id": "YfPhvYgKC81B" }, "source": [ "# License and Disclaimer\n", "\n", "This Colab notebook and other information provided is for theoretical modelling only, caution should be exercised in its use. It is provided ‘as-is’ without any warranty of any kind, whether expressed or implied. Information is not intended to be a substitute for professional medical advice, diagnosis, or treatment, and does not constitute medical or other professional advice.\n", "\n", "## AlphaFold/OpenFold Code License\n", "\n", "Copyright 2021 AlQuraishi Laboratory\n", "\n", "Copyright 2021 DeepMind Technologies Limited.\n", "\n", "Licensed under the Apache License, Version 2.0 (the \"License\"); you may not use this file except in compliance with the License. You may obtain a copy of the License at https://www.apache.org/licenses/LICENSE-2.0.\n", "\n", "Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an \"AS IS\" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.\n", "\n", "## Model Parameters License\n", "\n", "DeepMind's AlphaFold parameters are made available under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) license. You can find details at: https://creativecommons.org/licenses/by/4.0/legalcode\n", "\n", "\n", "## Third-party software\n", "\n", "Use of the third-party software, libraries or code referred to in this notebook may be governed by separate terms and conditions or license provisions. Your use of the third-party software, libraries or code is subject to any such terms and you should check that you can comply with any applicable restrictions or terms and conditions before use.\n", "\n", "\n", "## Mirrored Databases\n", "\n", "The following databases have been mirrored by DeepMind, and are available with reference to the following:\n", "* UniRef90: v2021\\_03 (unmodified), by The UniProt Consortium, available under a [Creative Commons Attribution-NoDerivatives 4.0 International License](http://creativecommons.org/licenses/by-nd/4.0/).\n", "* MGnify: v2019\\_05 (unmodified), by Mitchell AL et al., available free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use under [CC0 1.0 Universal (CC0 1.0) Public Domain Dedication](https://creativecommons.org/publicdomain/zero/1.0/).\n", "* BFD: (modified), by Steinegger M. and Söding J., modified by DeepMind, available under a [Creative Commons Attribution-ShareAlike 4.0 International License](https://creativecommons.org/licenses/by/4.0/). See the Methods section of the [AlphaFold proteome paper](https://www.nature.com/articles/s41586-021-03828-1) for details." ] } ] } ================================================ FILE: vendor/openfold/notebooks/environment.yml ================================================ name: openfold_venv channels: - conda-forge - bioconda dependencies: - conda-forge::openmm=7.5.1 - conda-forge::pdbfixer - bioconda::hmmer==3.3.2 - bioconda::hhsuite==3.3.0 - bioconda::kalign2==2.04 - pip: - biopython==1.79 - dm-tree==0.1.6 - ml-collections==0.1.0 - PyYAML==5.4.1 - requests==2.26.0 - typing-extensions==3.10.0.2 ================================================ FILE: vendor/openfold/openfold/__init__.py ================================================ from . import model from . import utils from . import np from . import resources __all__ = ["model", "utils", "np", "data", "resources"] ================================================ FILE: vendor/openfold/openfold/config.py ================================================ import copy import importlib import ml_collections as mlc def set_inf(c, inf): for k, v in c.items(): if isinstance(v, mlc.ConfigDict): set_inf(v, inf) elif k == "inf": c[k] = inf def enforce_config_constraints(config): def string_to_setting(s): path = s.split('.') setting = config for p in path: setting = setting[p] return setting mutually_exclusive_bools = [ ( "model.template.average_templates", "model.template.offload_templates" ), ( "globals.use_lma", "globals.use_flash", ), ] for s1, s2 in mutually_exclusive_bools: s1_setting = string_to_setting(s1) s2_setting = string_to_setting(s2) if(s1_setting and s2_setting): raise ValueError(f"Only one of {s1} and {s2} may be set at a time") fa_is_installed = importlib.util.find_spec("flash_attn") is not None if(config.globals.use_flash and not fa_is_installed): raise ValueError("use_flash requires that FlashAttention is installed") if( config.globals.offload_inference and not config.model.template.average_templates ): config.model.template.offload_templates = True def model_config( name, train=False, low_prec=False, long_sequence_inference=False ): c = copy.deepcopy(config) # TRAINING PRESETS if name == "initial_training": # AF2 Suppl. Table 4, "initial training" setting pass elif name == "finetuning": # AF2 Suppl. Table 4, "finetuning" setting c.data.train.crop_size = 384 c.data.train.max_extra_msa = 5120 c.data.train.max_msa_clusters = 512 c.loss.violation.weight = 1. c.loss.experimentally_resolved.weight = 0.01 elif name == "finetuning_ptm": c.data.train.max_extra_msa = 5120 c.data.train.crop_size = 384 c.data.train.max_msa_clusters = 512 c.loss.violation.weight = 1. c.loss.experimentally_resolved.weight = 0.01 c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 elif name == "finetuning_no_templ": # AF2 Suppl. Table 4, "finetuning" setting c.data.train.crop_size = 384 c.data.train.max_extra_msa = 5120 c.data.train.max_msa_clusters = 512 c.model.template.enabled = False c.loss.violation.weight = 1. c.loss.experimentally_resolved.weight = 0.01 elif name == "finetuning_no_templ_ptm": # AF2 Suppl. Table 4, "finetuning" setting c.data.train.crop_size = 384 c.data.train.max_extra_msa = 5120 c.data.train.max_msa_clusters = 512 c.model.template.enabled = False c.loss.violation.weight = 1. c.loss.experimentally_resolved.weight = 0.01 c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 # INFERENCE PRESETS elif name == "model_1": # AF2 Suppl. Table 5, Model 1.1.1 c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.data.common.reduce_max_clusters_by_max_templates = True c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True elif name == "model_2": # AF2 Suppl. Table 5, Model 1.1.2 c.data.common.reduce_max_clusters_by_max_templates = True c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True elif name == "model_3": # AF2 Suppl. Table 5, Model 1.2.1 c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.model.template.enabled = False elif name == "model_4": # AF2 Suppl. Table 5, Model 1.2.2 c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.model.template.enabled = False elif name == "model_5": # AF2 Suppl. Table 5, Model 1.2.3 c.model.template.enabled = False elif name == "model_1_ptm": c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.data.common.reduce_max_clusters_by_max_templates = True c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 elif name == "model_2_ptm": c.data.common.reduce_max_clusters_by_max_templates = True c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 elif name == "model_3_ptm": c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.model.template.enabled = False c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 elif name == "model_4_ptm": c.data.train.max_extra_msa = 5120 c.data.predict.max_extra_msa = 5120 c.model.template.enabled = False c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 elif name == "model_5_ptm": c.model.template.enabled = False c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 # SINGLE SEQUENCE EMBEDDING PRESETS elif name == "seqemb_initial_training": c.data.train.max_msa_clusters = 1 c.data.eval.max_msa_clusters = 1 c.data.train.max_distillation_msa_clusters = 1 elif name == "seqemb_finetuning": c.data.train.max_msa_clusters = 1 c.data.eval.max_msa_clusters = 1 c.data.train.max_distillation_msa_clusters = 1 c.data.train.crop_size = 384 c.loss.violation.weight = 1. c.loss.experimentally_resolved.weight = 0.01 elif name == "seq_model_esm1b": c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True c.data.predict.max_msa_clusters = 1 elif name == "seq_model_esm1b_ptm": c.data.common.use_templates = True c.data.common.use_template_torsion_angles = True c.model.template.enabled = True c.data.predict.max_msa_clusters = 1 c.model.heads.tm.enabled = True c.loss.tm.weight = 0.1 else: raise ValueError("Invalid model name") if name.startswith("seq"): # Tell the data pipeline that we will use sequence embeddings instead of MSAs. c.data.seqemb_mode.enabled = True c.globals.seqemb_mode_enabled = True # In seqemb mode, we turn off the ExtraMSAStack and Evoformer's column attention. c.model.extra_msa.enabled = False c.model.evoformer_stack.no_column_attention = True c.update(seq_mode_config.copy_and_resolve_references()) if long_sequence_inference: assert(not train) c.globals.offload_inference = True c.globals.use_lma = True c.globals.use_flash = False c.model.template.offload_inference = True c.model.template.template_pair_stack.tune_chunk_size = False c.model.extra_msa.extra_msa_stack.tune_chunk_size = False c.model.evoformer_stack.tune_chunk_size = False if train: c.globals.blocks_per_ckpt = 1 c.globals.chunk_size = None c.globals.use_lma = False c.globals.offload_inference = False c.model.template.average_templates = False c.model.template.offload_templates = False if low_prec: c.globals.eps = 1e-4 # If we want exact numerical parity with the original, inf can't be # a global constant set_inf(c, 1e4) enforce_config_constraints(c) return c c_z = mlc.FieldReference(128, field_type=int) c_m = mlc.FieldReference(256, field_type=int) c_t = mlc.FieldReference(64, field_type=int) c_e = mlc.FieldReference(64, field_type=int) c_s = mlc.FieldReference(384, field_type=int) # For seqemb mode, dimension size of the per-residue sequence embedding passed to the model # In current model, the dimension size is the ESM-1b dimension size i.e. 1280. preemb_dim_size = mlc.FieldReference(1280, field_type=int) blocks_per_ckpt = mlc.FieldReference(None, field_type=int) chunk_size = mlc.FieldReference(4, field_type=int) aux_distogram_bins = mlc.FieldReference(64, field_type=int) tm_enabled = mlc.FieldReference(False, field_type=bool) eps = mlc.FieldReference(1e-8, field_type=float) templates_enabled = mlc.FieldReference(True, field_type=bool) embed_template_torsion_angles = mlc.FieldReference(True, field_type=bool) tune_chunk_size = mlc.FieldReference(True, field_type=bool) NUM_RES = "num residues placeholder" NUM_MSA_SEQ = "msa placeholder" NUM_EXTRA_SEQ = "extra msa placeholder" NUM_TEMPLATES = "num templates placeholder" config = mlc.ConfigDict( { "data": { "common": { "feat": { "aatype": [NUM_RES], "all_atom_mask": [NUM_RES, None], "all_atom_positions": [NUM_RES, None, None], "alt_chi_angles": [NUM_RES, None], "atom14_alt_gt_exists": [NUM_RES, None], "atom14_alt_gt_positions": [NUM_RES, None, None], "atom14_atom_exists": [NUM_RES, None], "atom14_atom_is_ambiguous": [NUM_RES, None], "atom14_gt_exists": [NUM_RES, None], "atom14_gt_positions": [NUM_RES, None, None], "atom37_atom_exists": [NUM_RES, None], "backbone_rigid_mask": [NUM_RES], "backbone_rigid_tensor": [NUM_RES, None, None], "bert_mask": [NUM_MSA_SEQ, NUM_RES], "chi_angles_sin_cos": [NUM_RES, None, None], "chi_mask": [NUM_RES, None], "extra_deletion_value": [NUM_EXTRA_SEQ, NUM_RES], "extra_has_deletion": [NUM_EXTRA_SEQ, NUM_RES], "extra_msa": [NUM_EXTRA_SEQ, NUM_RES], "extra_msa_mask": [NUM_EXTRA_SEQ, NUM_RES], "extra_msa_row_mask": [NUM_EXTRA_SEQ], "is_distillation": [], "msa_feat": [NUM_MSA_SEQ, NUM_RES, None], "msa_mask": [NUM_MSA_SEQ, NUM_RES], "msa_row_mask": [NUM_MSA_SEQ], "no_recycling_iters": [], "pseudo_beta": [NUM_RES, None], "pseudo_beta_mask": [NUM_RES], "residue_index": [NUM_RES], "residx_atom14_to_atom37": [NUM_RES, None], "residx_atom37_to_atom14": [NUM_RES, None], "resolution": [], "rigidgroups_alt_gt_frames": [NUM_RES, None, None, None], "rigidgroups_group_exists": [NUM_RES, None], "rigidgroups_group_is_ambiguous": [NUM_RES, None], "rigidgroups_gt_exists": [NUM_RES, None], "rigidgroups_gt_frames": [NUM_RES, None, None, None], "seq_length": [], "seq_mask": [NUM_RES], "target_feat": [NUM_RES, None], "template_aatype": [NUM_TEMPLATES, NUM_RES], "template_all_atom_mask": [NUM_TEMPLATES, NUM_RES, None], "template_all_atom_positions": [ NUM_TEMPLATES, NUM_RES, None, None, ], "template_alt_torsion_angles_sin_cos": [ NUM_TEMPLATES, NUM_RES, None, None, ], "template_backbone_rigid_mask": [NUM_TEMPLATES, NUM_RES], "template_backbone_rigid_tensor": [ NUM_TEMPLATES, NUM_RES, None, None, ], "template_mask": [NUM_TEMPLATES], "template_pseudo_beta": [NUM_TEMPLATES, NUM_RES, None], "template_pseudo_beta_mask": [NUM_TEMPLATES, NUM_RES], "template_sum_probs": [NUM_TEMPLATES, None], "template_torsion_angles_mask": [ NUM_TEMPLATES, NUM_RES, None, ], "template_torsion_angles_sin_cos": [ NUM_TEMPLATES, NUM_RES, None, None, ], "true_msa": [NUM_MSA_SEQ, NUM_RES], "use_clamped_fape": [], }, "masked_msa": { "profile_prob": 0.1, "same_prob": 0.1, "uniform_prob": 0.1, }, "max_recycling_iters": 3, "msa_cluster_features": True, "reduce_msa_clusters_by_max_templates": False, "resample_msa_in_recycling": True, "template_features": [ "template_all_atom_positions", "template_sum_probs", "template_aatype", "template_all_atom_mask", ], "unsupervised_features": [ "aatype", "residue_index", "msa", "num_alignments", "seq_length", "between_segment_residues", "deletion_matrix", "no_recycling_iters", ], "use_templates": templates_enabled, "use_template_torsion_angles": embed_template_torsion_angles, }, "seqemb_mode": { # Configuration for sequence embedding mode "enabled": False, # If True, use seq emb instead of MSA }, "supervised": { "clamp_prob": 0.9, "supervised_features": [ "all_atom_mask", "all_atom_positions", "resolution", "use_clamped_fape", "is_distillation", ], }, "predict": { "fixed_size": True, "subsample_templates": False, # We want top templates. "masked_msa_replace_fraction": 0.15, "max_msa_clusters": 512, "max_extra_msa": 1024, "max_template_hits": 4, "max_templates": 4, "crop": False, "crop_size": None, "supervised": False, "uniform_recycling": False, }, "eval": { "fixed_size": True, "subsample_templates": False, # We want top templates. "masked_msa_replace_fraction": 0.15, "max_msa_clusters": 128, "max_extra_msa": 1024, "max_template_hits": 4, "max_templates": 4, "crop": False, "crop_size": None, "supervised": True, "uniform_recycling": False, }, "train": { "fixed_size": True, "subsample_templates": True, "masked_msa_replace_fraction": 0.15, "max_msa_clusters": 128, "max_extra_msa": 1024, "max_template_hits": 4, "max_templates": 4, "shuffle_top_k_prefiltered": 20, "crop": True, "crop_size": 256, "supervised": True, "clamp_prob": 0.9, "max_distillation_msa_clusters": 1000, "uniform_recycling": True, "distillation_prob": 0.75, }, "data_module": { "use_small_bfd": False, "data_loaders": { "batch_size": 1, "num_workers": 16, "pin_memory": True, }, }, }, # Recurring FieldReferences that can be changed globally here "globals": { "seqemb_mode_enabled": False, # Global flag for enabling seq emb mode "blocks_per_ckpt": blocks_per_ckpt, "chunk_size": chunk_size, # Use Staats & Rabe's low-memory attention algorithm. Mutually # exclusive with use_flash. "use_lma": False, # Use FlashAttention in selected modules. Mutually exclusive with # use_lma. Doesn't work that well on long sequences (>1000 residues). "use_flash": False, "offload_inference": False, "c_z": c_z, "c_m": c_m, "c_t": c_t, "c_e": c_e, "c_s": c_s, "eps": eps, }, "model": { "_mask_trans": False, "input_embedder": { "tf_dim": 22, "msa_dim": 49, "c_z": c_z, "c_m": c_m, "relpos_k": 32, }, "recycling_embedder": { "c_z": c_z, "c_m": c_m, "min_bin": 3.25, "max_bin": 20.75, "no_bins": 15, "inf": 1e8, }, "template": { "distogram": { "min_bin": 3.25, "max_bin": 50.75, "no_bins": 39, }, "template_angle_embedder": { # DISCREPANCY: c_in is supposed to be 51. "c_in": 57, "c_out": c_m, }, "template_pair_embedder": { "c_in": 88, "c_out": c_t, }, "template_pair_stack": { "c_t": c_t, # DISCREPANCY: c_hidden_tri_att here is given in the supplement # as 64. In the code, it's 16. "c_hidden_tri_att": 16, "c_hidden_tri_mul": 64, "no_blocks": 2, "no_heads": 4, "pair_transition_n": 2, "dropout_rate": 0.25, "blocks_per_ckpt": blocks_per_ckpt, "tune_chunk_size": tune_chunk_size, "inf": 1e9, }, "template_pointwise_attention": { "c_t": c_t, "c_z": c_z, # DISCREPANCY: c_hidden here is given in the supplement as 64. # It's actually 16. "c_hidden": 16, "no_heads": 4, "inf": 1e5, # 1e9, }, "inf": 1e5, # 1e9, "eps": eps, # 1e-6, "enabled": templates_enabled, "embed_angles": embed_template_torsion_angles, "use_unit_vector": False, # Approximate template computation, saving memory. # In our experiments, results are equivalent to or better than # the stock implementation. Should be enabled for all new # training runs. "average_templates": False, # Offload template embeddings to CPU memory. Vastly reduced # memory consumption at the cost of a modest increase in # runtime. Useful for inference on very long sequences. # Mutually exclusive with average_templates. Automatically # enabled if offload_inference is set. "offload_templates": False, }, "extra_msa": { "extra_msa_embedder": { "c_in": 25, "c_out": c_e, }, "extra_msa_stack": { "c_m": c_e, "c_z": c_z, "c_hidden_msa_att": 8, "c_hidden_opm": 32, "c_hidden_mul": 128, "c_hidden_pair_att": 32, "no_heads_msa": 8, "no_heads_pair": 4, "no_blocks": 4, "transition_n": 4, "msa_dropout": 0.15, "pair_dropout": 0.25, "clear_cache_between_blocks": False, "tune_chunk_size": tune_chunk_size, "inf": 1e9, "eps": eps, # 1e-10, "ckpt": blocks_per_ckpt is not None, }, "enabled": True, }, "evoformer_stack": { "c_m": c_m, "c_z": c_z, "c_hidden_msa_att": 32, "c_hidden_opm": 32, "c_hidden_mul": 128, "c_hidden_pair_att": 32, "c_s": c_s, "no_heads_msa": 8, "no_heads_pair": 4, "no_blocks": 48, "transition_n": 4, "msa_dropout": 0.15, "pair_dropout": 0.25, "no_column_attention": False, "blocks_per_ckpt": blocks_per_ckpt, "clear_cache_between_blocks": False, "tune_chunk_size": tune_chunk_size, "inf": 1e9, "eps": eps, # 1e-10, }, "structure_module": { "c_s": c_s, "c_z": c_z, "c_ipa": 16, "c_resnet": 128, "no_heads_ipa": 12, "no_qk_points": 4, "no_v_points": 8, "dropout_rate": 0.1, "no_blocks": 8, "no_transition_layers": 1, "no_resnet_blocks": 2, "no_angles": 7, "trans_scale_factor": 10, "epsilon": eps, # 1e-12, "inf": 1e5, }, "heads": { "lddt": { "no_bins": 50, "c_in": c_s, "c_hidden": 128, }, "distogram": { "c_z": c_z, "no_bins": aux_distogram_bins, }, "tm": { "c_z": c_z, "no_bins": aux_distogram_bins, "enabled": tm_enabled, }, "masked_msa": { "c_m": c_m, "c_out": 23, }, "experimentally_resolved": { "c_s": c_s, "c_out": 37, }, }, }, "relax": { "max_iterations": 0, # no max "tolerance": 2.39, "stiffness": 10.0, "max_outer_iterations": 20, "exclude_residues": [], }, "loss": { "distogram": { "min_bin": 2.3125, "max_bin": 21.6875, "no_bins": 64, "eps": eps, # 1e-6, "weight": 0.3, }, "experimentally_resolved": { "eps": eps, # 1e-8, "min_resolution": 0.1, "max_resolution": 3.0, "weight": 0.0, }, "fape": { "backbone": { "clamp_distance": 10.0, "loss_unit_distance": 10.0, "weight": 0.5, }, "sidechain": { "clamp_distance": 10.0, "length_scale": 10.0, "weight": 0.5, }, "eps": 1e-4, "weight": 1.0, }, "plddt_loss": { "min_resolution": 0.1, "max_resolution": 3.0, "cutoff": 15.0, "no_bins": 50, "eps": eps, # 1e-10, "weight": 0.01, }, "masked_msa": { "eps": eps, # 1e-8, "weight": 2.0, }, "supervised_chi": { "chi_weight": 0.5, "angle_norm_weight": 0.01, "eps": eps, # 1e-6, "weight": 1.0, }, "violation": { "violation_tolerance_factor": 12.0, "clash_overlap_tolerance": 1.5, "eps": eps, # 1e-6, "weight": 0.0, }, "tm": { "max_bin": 31, "no_bins": 64, "min_resolution": 0.1, "max_resolution": 3.0, "eps": eps, # 1e-8, "weight": 0., "enabled": tm_enabled, }, "eps": eps, }, "ema": {"decay": 0.999}, } ) seq_mode_config = mlc.ConfigDict({ "data": { "common": { "feat": { "seq_embedding": [NUM_RES, None], }, "seqemb_features": [ # List of features to be generated in seqemb mode "seq_embedding" ], }, "seqemb_mode": { # Configuration for sequence embedding mode "enabled": True, # If True, use seq emb instead of MSA }, }, "globals": { "seqemb_mode_enabled": True, }, "model": { "preembedding_embedder": { # Used in sequence embedding mode "tf_dim": 22, "preembedding_dim": preemb_dim_size, "c_z": c_z, "c_m": c_m, "relpos_k": 32, }, } }) ================================================ FILE: vendor/openfold/openfold/data/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/data/data_modules.py ================================================ import copy from functools import partial import json import logging import os import pickle from typing import Optional, Sequence, List, Any import ml_collections as mlc import pytorch_lightning as pl import torch from torch.utils.data import RandomSampler from openfold.data import ( data_pipeline, feature_pipeline, mmcif_parsing, templates, ) from openfold.utils.tensor_utils import tensor_tree_map, dict_multimap class OpenFoldSingleDataset(torch.utils.data.Dataset): def __init__(self, data_dir: str, alignment_dir: str, template_mmcif_dir: str, max_template_date: str, config: mlc.ConfigDict, chain_data_cache_path: Optional[str] = None, kalign_binary_path: str = '/usr/bin/kalign', max_template_hits: int = 4, obsolete_pdbs_file_path: Optional[str] = None, template_release_dates_cache_path: Optional[str] = None, shuffle_top_k_prefiltered: Optional[int] = None, treat_pdb_as_distillation: bool = True, filter_path: Optional[str] = None, mode: str = "train", alignment_index: Optional[Any] = None, _output_raw: bool = False, _structure_index: Optional[Any] = None, ): """ Args: data_dir: A path to a directory containing mmCIF files (in train mode) or FASTA files (in inference mode). alignment_dir: A path to a directory containing only data in the format output by an AlignmentRunner (defined in openfold.features.alignment_runner). I.e. a directory of directories named {PDB_ID}_{CHAIN_ID} or simply {PDB_ID}, each containing .a3m, .sto, and .hhr files. template_mmcif_dir: Path to a directory containing template mmCIF files. config: A dataset config object. See openfold.config chain_data_cache_path: Path to cache of data_dir generated by scripts/generate_chain_data_cache.py kalign_binary_path: Path to kalign binary. max_template_hits: An upper bound on how many templates are considered. During training, the templates ultimately used are subsampled from this total quantity. template_release_dates_cache_path: Path to the output of scripts/generate_mmcif_cache. obsolete_pdbs_file_path: Path to the file containing replacements for obsolete PDBs. shuffle_top_k_prefiltered: Whether to uniformly shuffle the top k template hits before parsing max_template_hits of them. Can be used to approximate DeepMind's training-time template subsampling scheme much more performantly. treat_pdb_as_distillation: Whether to assume that .pdb files in the data_dir are from the self-distillation set (and should be subjected to special distillation set preprocessing steps). mode: "train", "val", or "predict" """ super(OpenFoldSingleDataset, self).__init__() self.data_dir = data_dir self.chain_data_cache = None if chain_data_cache_path is not None: with open(chain_data_cache_path, "r") as fp: self.chain_data_cache = json.load(fp) assert isinstance(self.chain_data_cache, dict) self.alignment_dir = alignment_dir self.config = config self.treat_pdb_as_distillation = treat_pdb_as_distillation self.mode = mode self.alignment_index = alignment_index self._output_raw = _output_raw self._structure_index = _structure_index self.supported_exts = [".cif", ".core", ".pdb"] valid_modes = ["train", "eval", "predict"] if(mode not in valid_modes): raise ValueError(f'mode must be one of {valid_modes}') if(template_release_dates_cache_path is None): logging.warning( "Template release dates cache does not exist. Remember to run " "scripts/generate_mmcif_cache.py before running OpenFold" ) if(alignment_index is not None): self._chain_ids = list(alignment_index.keys()) else: self._chain_ids = list(os.listdir(alignment_dir)) if(filter_path is not None): with open(filter_path, "r") as f: chains_to_include = set([l.strip() for l in f.readlines()]) self._chain_ids = [ c for c in self._chain_ids if c in chains_to_include ] if self.chain_data_cache is not None: # Filter to include only chains where we have structure data # (entries in chain_data_cache) original_chain_ids = self._chain_ids self._chain_ids = [ c for c in self._chain_ids if c in self.chain_data_cache ] if len(self._chain_ids) < len(original_chain_ids): missing = [ c for c in original_chain_ids if c not in self.chain_data_cache ] max_to_print = 10 missing_examples = ", ".join(missing[:max_to_print]) if len(missing) > max_to_print: missing_examples += ", ..." logging.warning( "Removing %d alignment entries (%s) with no corresponding " "entries in chain_data_cache (%s).", len(missing), missing_examples, chain_data_cache_path) self._chain_id_to_idx_dict = { chain: i for i, chain in enumerate(self._chain_ids) } template_featurizer = templates.TemplateHitFeaturizer( mmcif_dir=template_mmcif_dir, max_template_date=max_template_date, max_hits=max_template_hits, kalign_binary_path=kalign_binary_path, release_dates_path=template_release_dates_cache_path, obsolete_pdbs_path=obsolete_pdbs_file_path, _shuffle_top_k_prefiltered=shuffle_top_k_prefiltered, ) self.data_pipeline = data_pipeline.DataPipeline( template_featurizer=template_featurizer, ) if(not self._output_raw): self.feature_pipeline = feature_pipeline.FeaturePipeline(config) def _parse_mmcif(self, path, file_id, chain_id, alignment_dir, alignment_index): with open(path, 'r') as f: mmcif_string = f.read() mmcif_object = mmcif_parsing.parse( file_id=file_id, mmcif_string=mmcif_string ) # Crash if an error is encountered. Any parsing errors should have # been dealt with at the alignment stage. if(mmcif_object.mmcif_object is None): raise list(mmcif_object.errors.values())[0] mmcif_object = mmcif_object.mmcif_object data = self.data_pipeline.process_mmcif( mmcif=mmcif_object, alignment_dir=alignment_dir, chain_id=chain_id, alignment_index=alignment_index, seqemb_mode=self.config.seqemb_mode.enabled ) return data def chain_id_to_idx(self, chain_id): return self._chain_id_to_idx_dict[chain_id] def idx_to_chain_id(self, idx): return self._chain_ids[idx] def __getitem__(self, idx): name = self.idx_to_chain_id(idx) alignment_dir = os.path.join(self.alignment_dir, name) alignment_index = None if(self.alignment_index is not None): alignment_dir = self.alignment_dir alignment_index = self.alignment_index[name] if(self.mode == 'train' or self.mode == 'eval'): spl = name.rsplit('_', 1) if(len(spl) == 2): file_id, chain_id = spl else: file_id, = spl chain_id = None path = os.path.join(self.data_dir, file_id) structure_index_entry = None if(self._structure_index is not None): structure_index_entry = self._structure_index[name] assert(len(structure_index_entry["files"]) == 1) filename, _, _ = structure_index_entry["files"][0] ext = os.path.splitext(filename)[1] else: ext = None for e in self.supported_exts: if(os.path.exists(path + e)): ext = e break if(ext is None): raise ValueError("Invalid file type") path += ext if(ext == ".cif"): data = self._parse_mmcif( path, file_id, chain_id, alignment_dir, alignment_index, ) elif(ext == ".core"): data = self.data_pipeline.process_core( path, alignment_dir, alignment_index, seqemb_mode=self.config.seqemb_mode.enabled, ) elif(ext == ".pdb"): structure_index = None if(self._structure_index is not None): structure_index = self._structure_index[name] data = self.data_pipeline.process_pdb( pdb_path=path, alignment_dir=alignment_dir, is_distillation=self.treat_pdb_as_distillation, chain_id=chain_id, alignment_index=alignment_index, _structure_index=structure_index, seqemb_mode=self.config.seqemb_mode.enabled, ) else: raise ValueError("Extension branch missing") else: path = os.path.join(name, name + ".fasta") data = self.data_pipeline.process_fasta( fasta_path=path, alignment_dir=alignment_dir, alignment_index=alignment_index, seqemb_mode=self.config.seqemb_mode.enabled, ) if(self._output_raw): return data feats = self.feature_pipeline.process_features( data, self.mode ) feats["batch_idx"] = torch.tensor( [idx for _ in range(feats["aatype"].shape[-1])], dtype=torch.int64, device=feats["aatype"].device) return feats def __len__(self): return len(self._chain_ids) def deterministic_train_filter( chain_data_cache_entry: Any, max_resolution: float = 9., max_single_aa_prop: float = 0.8, ) -> bool: # Hard filters resolution = chain_data_cache_entry.get("resolution", None) if(resolution is not None and resolution > max_resolution): return False seq = chain_data_cache_entry["seq"] counts = {} for aa in seq: counts.setdefault(aa, 0) counts[aa] += 1 largest_aa_count = max(counts.values()) largest_single_aa_prop = largest_aa_count / len(seq) if(largest_single_aa_prop > max_single_aa_prop): return False return True def get_stochastic_train_filter_prob( chain_data_cache_entry: Any, ) -> List[float]: # Stochastic filters probabilities = [] cluster_size = chain_data_cache_entry.get("cluster_size", None) if(cluster_size is not None and cluster_size > 0): probabilities.append(1 / cluster_size) chain_length = len(chain_data_cache_entry["seq"]) probabilities.append((1 / 512) * (max(min(chain_length, 512), 256))) # Risk of underflow here? out = 1 for p in probabilities: out *= p return out class OpenFoldDataset(torch.utils.data.Dataset): """ Implements the stochastic filters applied during AlphaFold's training. Because samples are selected from constituent datasets randomly, the length of an OpenFoldFilteredDataset is arbitrary. Samples are selected and filtered once at initialization. """ def __init__(self, datasets: Sequence[OpenFoldSingleDataset], probabilities: Sequence[float], epoch_len: int, generator: torch.Generator = None, _roll_at_init: bool = True, ): self.datasets = datasets self.probabilities = probabilities self.epoch_len = epoch_len self.generator = generator def looped_shuffled_dataset_idx(dataset_len): while True: # Uniformly shuffle each dataset's indices weights = [1. for _ in range(dataset_len)] shuf = torch.multinomial( torch.tensor(weights), num_samples=dataset_len, replacement=False, generator=self.generator, ) for idx in shuf: yield idx def looped_samples(dataset_idx): max_cache_len = int(epoch_len * probabilities[dataset_idx]) dataset = self.datasets[dataset_idx] idx_iter = looped_shuffled_dataset_idx(len(dataset)) chain_data_cache = dataset.chain_data_cache while True: weights = [] idx = [] for _ in range(max_cache_len): candidate_idx = next(idx_iter) chain_id = dataset.idx_to_chain_id(candidate_idx) chain_data_cache_entry = chain_data_cache[chain_id] if(not deterministic_train_filter(chain_data_cache_entry)): continue p = get_stochastic_train_filter_prob( chain_data_cache_entry, ) weights.append([1. - p, p]) idx.append(candidate_idx) samples = torch.multinomial( torch.tensor(weights), num_samples=1, generator=self.generator, ) samples = samples.squeeze() cache = [i for i, s in zip(idx, samples) if s] for datapoint_idx in cache: yield datapoint_idx self._samples = [looped_samples(i) for i in range(len(self.datasets))] if(_roll_at_init): self.reroll() def __getitem__(self, idx): dataset_idx, datapoint_idx = self.datapoints[idx] return self.datasets[dataset_idx][datapoint_idx] def __len__(self): return self.epoch_len def reroll(self): dataset_choices = torch.multinomial( torch.tensor(self.probabilities), num_samples=self.epoch_len, replacement=True, generator=self.generator, ) self.datapoints = [] for dataset_idx in dataset_choices: samples = self._samples[dataset_idx] datapoint_idx = next(samples) self.datapoints.append((dataset_idx, datapoint_idx)) class OpenFoldBatchCollator: def __call__(self, prots): stack_fn = partial(torch.stack, dim=0) return dict_multimap(stack_fn, prots) class OpenFoldDataLoader(torch.utils.data.DataLoader): def __init__(self, *args, config, stage="train", generator=None, **kwargs): super().__init__(*args, **kwargs) self.config = config self.stage = stage self.generator = generator self._prep_batch_properties_probs() def _prep_batch_properties_probs(self): keyed_probs = [] stage_cfg = self.config[self.stage] max_iters = self.config.common.max_recycling_iters if(stage_cfg.uniform_recycling): recycling_probs = [ 1. / (max_iters + 1) for _ in range(max_iters + 1) ] else: recycling_probs = [ 0. for _ in range(max_iters + 1) ] recycling_probs[-1] = 1. keyed_probs.append( ("no_recycling_iters", recycling_probs) ) keys, probs = zip(*keyed_probs) max_len = max([len(p) for p in probs]) padding = [[0.] * (max_len - len(p)) for p in probs] self.prop_keys = keys self.prop_probs_tensor = torch.tensor( [p + pad for p, pad in zip(probs, padding)], dtype=torch.float32, ) def _add_batch_properties(self, batch): samples = torch.multinomial( self.prop_probs_tensor, num_samples=1, # 1 per row replacement=True, generator=self.generator ) aatype = batch["aatype"] batch_dims = aatype.shape[:-2] recycling_dim = aatype.shape[-1] no_recycling = recycling_dim for i, key in enumerate(self.prop_keys): sample = int(samples[i][0]) sample_tensor = torch.tensor( sample, device=aatype.device, requires_grad=False ) orig_shape = sample_tensor.shape sample_tensor = sample_tensor.view( (1,) * len(batch_dims) + sample_tensor.shape + (1,) ) sample_tensor = sample_tensor.expand( batch_dims + orig_shape + (recycling_dim,) ) batch[key] = sample_tensor if(key == "no_recycling_iters"): no_recycling = sample resample_recycling = lambda t: t[..., :no_recycling + 1] batch = tensor_tree_map(resample_recycling, batch) return batch def __iter__(self): it = super().__iter__() def _batch_prop_gen(iterator): for batch in iterator: yield self._add_batch_properties(batch) return _batch_prop_gen(it) class OpenFoldDataModule(pl.LightningDataModule): def __init__(self, config: mlc.ConfigDict, template_mmcif_dir: str, max_template_date: str, train_data_dir: Optional[str] = None, train_alignment_dir: Optional[str] = None, train_chain_data_cache_path: Optional[str] = None, distillation_data_dir: Optional[str] = None, distillation_alignment_dir: Optional[str] = None, distillation_chain_data_cache_path: Optional[str] = None, val_data_dir: Optional[str] = None, val_alignment_dir: Optional[str] = None, predict_data_dir: Optional[str] = None, predict_alignment_dir: Optional[str] = None, kalign_binary_path: str = '/usr/bin/kalign', train_filter_path: Optional[str] = None, distillation_filter_path: Optional[str] = None, obsolete_pdbs_file_path: Optional[str] = None, template_release_dates_cache_path: Optional[str] = None, batch_seed: Optional[int] = None, train_epoch_len: int = 50000, _distillation_structure_index_path: Optional[str] = None, alignment_index_path: Optional[str] = None, distillation_alignment_index_path: Optional[str] = None, **kwargs ): super(OpenFoldDataModule, self).__init__() self.config = config self.template_mmcif_dir = template_mmcif_dir self.max_template_date = max_template_date self.train_data_dir = train_data_dir self.train_alignment_dir = train_alignment_dir self.train_chain_data_cache_path = train_chain_data_cache_path self.distillation_data_dir = distillation_data_dir self.distillation_alignment_dir = distillation_alignment_dir self.distillation_chain_data_cache_path = ( distillation_chain_data_cache_path ) self.val_data_dir = val_data_dir self.val_alignment_dir = val_alignment_dir self.predict_data_dir = predict_data_dir self.predict_alignment_dir = predict_alignment_dir self.kalign_binary_path = kalign_binary_path self.train_filter_path = train_filter_path self.distillation_filter_path = distillation_filter_path self.template_release_dates_cache_path = ( template_release_dates_cache_path ) self.obsolete_pdbs_file_path = obsolete_pdbs_file_path self.batch_seed = batch_seed self.train_epoch_len = train_epoch_len if(self.train_data_dir is None and self.predict_data_dir is None): raise ValueError( 'At least one of train_data_dir or predict_data_dir must be ' 'specified' ) self.training_mode = self.train_data_dir is not None if(self.training_mode and train_alignment_dir is None): raise ValueError( 'In training mode, train_alignment_dir must be specified' ) elif(not self.training_mode and predict_alignment_dir is None): raise ValueError( 'In inference mode, predict_alignment_dir must be specified' ) elif(val_data_dir is not None and val_alignment_dir is None): raise ValueError( 'If val_data_dir is specified, val_alignment_dir must ' 'be specified as well' ) # An ad-hoc measure for our particular filesystem restrictions self._distillation_structure_index = None if(_distillation_structure_index_path is not None): with open(_distillation_structure_index_path, "r") as fp: self._distillation_structure_index = json.load(fp) self.alignment_index = None if(alignment_index_path is not None): with open(alignment_index_path, "r") as fp: self.alignment_index = json.load(fp) self.distillation_alignment_index = None if(distillation_alignment_index_path is not None): with open(distillation_alignment_index_path, "r") as fp: self.distillation_alignment_index = json.load(fp) def setup(self): # Most of the arguments are the same for the three datasets dataset_gen = partial(OpenFoldSingleDataset, template_mmcif_dir=self.template_mmcif_dir, max_template_date=self.max_template_date, config=self.config, kalign_binary_path=self.kalign_binary_path, template_release_dates_cache_path= self.template_release_dates_cache_path, obsolete_pdbs_file_path= self.obsolete_pdbs_file_path, ) if(self.training_mode): train_dataset = dataset_gen( data_dir=self.train_data_dir, chain_data_cache_path=self.train_chain_data_cache_path, alignment_dir=self.train_alignment_dir, filter_path=self.train_filter_path, max_template_hits=self.config.train.max_template_hits, shuffle_top_k_prefiltered= self.config.train.shuffle_top_k_prefiltered, treat_pdb_as_distillation=False, mode="train", alignment_index=self.alignment_index, ) distillation_dataset = None if(self.distillation_data_dir is not None): distillation_dataset = dataset_gen( data_dir=self.distillation_data_dir, chain_data_cache_path=self.distillation_chain_data_cache_path, alignment_dir=self.distillation_alignment_dir, filter_path=self.distillation_filter_path, max_template_hits=self.config.train.max_template_hits, treat_pdb_as_distillation=True, mode="train", alignment_index=self.distillation_alignment_index, _structure_index=self._distillation_structure_index, ) d_prob = self.config.train.distillation_prob if(distillation_dataset is not None): datasets = [train_dataset, distillation_dataset] d_prob = self.config.train.distillation_prob probabilities = [1. - d_prob, d_prob] else: datasets = [train_dataset] probabilities = [1.] generator = None if(self.batch_seed is not None): generator = torch.Generator() generator = generator.manual_seed(self.batch_seed + 1) self.train_dataset = OpenFoldDataset( datasets=datasets, probabilities=probabilities, epoch_len=self.train_epoch_len, generator=generator, _roll_at_init=False, ) if(self.val_data_dir is not None): self.eval_dataset = dataset_gen( data_dir=self.val_data_dir, alignment_dir=self.val_alignment_dir, filter_path=None, max_template_hits=self.config.eval.max_template_hits, mode="eval", ) else: self.eval_dataset = None else: self.predict_dataset = dataset_gen( data_dir=self.predict_data_dir, alignment_dir=self.predict_alignment_dir, filter_path=None, max_template_hits=self.config.predict.max_template_hits, mode="predict", ) def _gen_dataloader(self, stage): generator = None if(self.batch_seed is not None): generator = torch.Generator() generator = generator.manual_seed(self.batch_seed) dataset = None if(stage == "train"): dataset = self.train_dataset # Filter the dataset, if necessary dataset.reroll() elif(stage == "eval"): dataset = self.eval_dataset elif(stage == "predict"): dataset = self.predict_dataset else: raise ValueError("Invalid stage") batch_collator = OpenFoldBatchCollator() dl = OpenFoldDataLoader( dataset, config=self.config, stage=stage, generator=generator, batch_size=self.config.data_module.data_loaders.batch_size, num_workers=self.config.data_module.data_loaders.num_workers, collate_fn=batch_collator, ) return dl def train_dataloader(self): return self._gen_dataloader("train") def val_dataloader(self): if(self.eval_dataset is not None): return self._gen_dataloader("eval") return None def predict_dataloader(self): return self._gen_dataloader("predict") class DummyDataset(torch.utils.data.Dataset): def __init__(self, batch_path): with open(batch_path, "rb") as f: self.batch = pickle.load(f) def __getitem__(self, idx): return copy.deepcopy(self.batch) def __len__(self): return 1000 class DummyDataLoader(pl.LightningDataModule): def __init__(self, batch_path): super().__init__() self.dataset = DummyDataset(batch_path) def train_dataloader(self): return torch.utils.data.DataLoader(self.dataset) ================================================ FILE: vendor/openfold/openfold/data/data_pipeline.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import os import datetime from multiprocessing import cpu_count from typing import Mapping, Optional, Sequence, Any import numpy as np import torch from openfold.data import templates, parsers, mmcif_parsing from openfold.data.templates import get_custom_template_features from openfold.data.tools import jackhmmer, hhblits, hhsearch from openfold.data.tools.utils import to_date from openfold.np import residue_constants, protein FeatureDict = Mapping[str, np.ndarray] def empty_template_feats(n_res) -> FeatureDict: return { "template_aatype": np.zeros((0, n_res)).astype(np.int64), "template_all_atom_positions": np.zeros((0, n_res, 37, 3)).astype(np.float32), "template_sum_probs": np.zeros((0, 1)).astype(np.float32), "template_all_atom_mask": np.zeros((0, n_res, 37)).astype(np.float32), } def make_template_features( input_sequence: str, hits: Sequence[Any], template_featurizer: Any, query_pdb_code: Optional[str] = None, query_release_date: Optional[str] = None, ) -> FeatureDict: hits_cat = sum(hits.values(), []) if(len(hits_cat) == 0 or template_featurizer is None): template_features = empty_template_feats(len(input_sequence)) else: templates_result = template_featurizer.get_templates( query_sequence=input_sequence, query_pdb_code=query_pdb_code, query_release_date=query_release_date, hits=hits_cat, ) template_features = templates_result.features # The template featurizer doesn't format empty template features # properly. This is a quick fix. if(template_features["template_aatype"].shape[0] == 0): template_features = empty_template_feats(len(input_sequence)) return template_features def unify_template_features( template_feature_list: Sequence[FeatureDict] ) -> FeatureDict: out_dicts = [] seq_lens = [fd["template_aatype"].shape[1] for fd in template_feature_list] for i, fd in enumerate(template_feature_list): out_dict = {} n_templates, n_res = fd["template_aatype"].shape[:2] for k,v in fd.items(): seq_keys = [ "template_aatype", "template_all_atom_positions", "template_all_atom_mask", ] if(k in seq_keys): new_shape = list(v.shape) assert(new_shape[1] == n_res) new_shape[1] = sum(seq_lens) new_array = np.zeros(new_shape, dtype=v.dtype) if(k == "template_aatype"): new_array[..., residue_constants.HHBLITS_AA_TO_ID['-']] = 1 offset = sum(seq_lens[:i]) new_array[:, offset:offset + seq_lens[i]] = v out_dict[k] = new_array else: out_dict[k] = v chain_indices = np.array(n_templates * [i]) out_dict["template_chain_index"] = chain_indices if(n_templates != 0): out_dicts.append(out_dict) if(len(out_dicts) > 0): out_dict = { k: np.concatenate([od[k] for od in out_dicts]) for k in out_dicts[0] } else: out_dict = empty_template_feats(sum(seq_lens)) return out_dict def make_sequence_features( sequence: str, description: str, num_res: int ) -> FeatureDict: """Construct a feature dict of sequence features.""" features = {} features["aatype"] = residue_constants.sequence_to_onehot( sequence=sequence, mapping=residue_constants.restype_order_with_x, map_unknown_to_x=True, ) features["between_segment_residues"] = np.zeros((num_res,), dtype=np.int32) features["domain_name"] = np.array( [description.encode("utf-8")], dtype=np.object_ ) features["residue_index"] = np.array(range(num_res), dtype=np.int32) features["seq_length"] = np.array([num_res] * num_res, dtype=np.int32) features["sequence"] = np.array( [sequence.encode("utf-8")], dtype=np.object_ ) return features def make_mmcif_features( mmcif_object: mmcif_parsing.MmcifObject, chain_id: str ) -> FeatureDict: input_sequence = mmcif_object.chain_to_seqres[chain_id] description = "_".join([mmcif_object.file_id, chain_id]) num_res = len(input_sequence) mmcif_feats = {} mmcif_feats.update( make_sequence_features( sequence=input_sequence, description=description, num_res=num_res, ) ) all_atom_positions, all_atom_mask = mmcif_parsing.get_atom_coords( mmcif_object=mmcif_object, chain_id=chain_id ) mmcif_feats["all_atom_positions"] = all_atom_positions mmcif_feats["all_atom_mask"] = all_atom_mask mmcif_feats["resolution"] = np.array( [mmcif_object.header["resolution"]], dtype=np.float32 ) mmcif_feats["release_date"] = np.array( [mmcif_object.header["release_date"].encode("utf-8")], dtype=np.object_ ) mmcif_feats["is_distillation"] = np.array(0., dtype=np.float32) return mmcif_feats def _aatype_to_str_sequence(aatype): return ''.join([ residue_constants.restypes_with_x[aatype[i]] for i in range(len(aatype)) ]) def make_protein_features( protein_object: protein.Protein, description: str, _is_distillation: bool = False, ) -> FeatureDict: pdb_feats = {} aatype = protein_object.aatype sequence = _aatype_to_str_sequence(aatype) pdb_feats.update( make_sequence_features( sequence=sequence, description=description, num_res=len(protein_object.aatype), ) ) all_atom_positions = protein_object.atom_positions all_atom_mask = protein_object.atom_mask pdb_feats["all_atom_positions"] = all_atom_positions.astype(np.float32) pdb_feats["all_atom_mask"] = all_atom_mask.astype(np.float32) pdb_feats["resolution"] = np.array([0.]).astype(np.float32) pdb_feats["is_distillation"] = np.array( 1. if _is_distillation else 0. ).astype(np.float32) return pdb_feats def make_pdb_features( protein_object: protein.Protein, description: str, is_distillation: bool = True, confidence_threshold: float = 50., ) -> FeatureDict: pdb_feats = make_protein_features( protein_object, description, _is_distillation=True ) if(is_distillation): high_confidence = protein_object.b_factors > confidence_threshold high_confidence = np.any(high_confidence, axis=-1) pdb_feats["all_atom_mask"] *= high_confidence[..., None] return pdb_feats def make_msa_features( msas: Sequence[Sequence[str]], deletion_matrices: Sequence[parsers.DeletionMatrix], ) -> FeatureDict: """Constructs a feature dict of MSA features.""" if not msas: raise ValueError("At least one MSA must be provided.") int_msa = [] deletion_matrix = [] seen_sequences = set() for msa_index, msa in enumerate(msas): if not msa: raise ValueError( f"MSA {msa_index} must contain at least one sequence." ) for sequence_index, sequence in enumerate(msa): if sequence in seen_sequences: continue seen_sequences.add(sequence) int_msa.append( [residue_constants.HHBLITS_AA_TO_ID[res] for res in sequence] ) deletion_matrix.append(deletion_matrices[msa_index][sequence_index]) num_res = len(msas[0][0]) num_alignments = len(int_msa) features = {} features["deletion_matrix_int"] = np.array(deletion_matrix, dtype=np.int32) features["msa"] = np.array(int_msa, dtype=np.int32) features["num_alignments"] = np.array( [num_alignments] * num_res, dtype=np.int32 ) return features # Generate 1-sequence MSA features having only the input sequence def make_dummy_msa_feats(input_sequence): msas = [[input_sequence]] deletion_matrices = [[[0 for _ in input_sequence]]] msa_features = make_msa_features( msas=msas, deletion_matrices=deletion_matrices, ) return msa_features def make_sequence_features_with_custom_template( sequence: str, mmcif_path: str, pdb_id: str, chain_id: str, kalign_binary_path: str) -> FeatureDict: """ process a single fasta file using features derived from a single template rather than an alignment """ num_res = len(sequence) sequence_features = make_sequence_features( sequence=sequence, description=pdb_id, num_res=num_res, ) msa_data = [[sequence]] deletion_matrix = [[[0 for _ in sequence]]] msa_features = make_msa_features(msa_data, deletion_matrix) template_features = get_custom_template_features( mmcif_path=mmcif_path, query_sequence=sequence, pdb_id=pdb_id, chain_id=chain_id, kalign_binary_path=kalign_binary_path ) return { **sequence_features, **msa_features, **template_features.features } class AlignmentRunner: """Runs alignment tools and saves the results""" def __init__( self, jackhmmer_binary_path: Optional[str] = None, hhblits_binary_path: Optional[str] = None, hhsearch_binary_path: Optional[str] = None, uniref90_database_path: Optional[str] = None, mgnify_database_path: Optional[str] = None, bfd_database_path: Optional[str] = None, uniclust30_database_path: Optional[str] = None, pdb70_database_path: Optional[str] = None, use_small_bfd: Optional[bool] = None, no_cpus: Optional[int] = None, uniref_max_hits: int = 10000, mgnify_max_hits: int = 5000, ): """ Args: jackhmmer_binary_path: Path to jackhmmer binary hhblits_binary_path: Path to hhblits binary hhsearch_binary_path: Path to hhsearch binary uniref90_database_path: Path to uniref90 database. If provided, jackhmmer_binary_path must also be provided mgnify_database_path: Path to mgnify database. If provided, jackhmmer_binary_path must also be provided bfd_database_path: Path to BFD database. Depending on the value of use_small_bfd, one of hhblits_binary_path or jackhmmer_binary_path must be provided. uniclust30_database_path: Path to uniclust30. Searched alongside BFD if use_small_bfd is false. pdb70_database_path: Path to pdb70 database. use_small_bfd: Whether to search the BFD database alone with jackhmmer or in conjunction with uniclust30 with hhblits. no_cpus: The number of CPUs available for alignment. By default, all CPUs are used. uniref_max_hits: Max number of uniref hits mgnify_max_hits: Max number of mgnify hits """ db_map = { "jackhmmer": { "binary": jackhmmer_binary_path, "dbs": [ uniref90_database_path, mgnify_database_path, bfd_database_path if use_small_bfd else None, ], }, "hhblits": { "binary": hhblits_binary_path, "dbs": [ bfd_database_path if not use_small_bfd else None, ], }, "hhsearch": { "binary": hhsearch_binary_path, "dbs": [ pdb70_database_path, ], }, } for name, dic in db_map.items(): binary, dbs = dic["binary"], dic["dbs"] if(binary is None and not all([x is None for x in dbs])): raise ValueError( f"{name} DBs provided but {name} binary is None" ) if(not all([x is None for x in db_map["hhsearch"]["dbs"]]) and uniref90_database_path is None): raise ValueError( """uniref90_database_path must be specified in order to perform template search""" ) self.uniref_max_hits = uniref_max_hits self.mgnify_max_hits = mgnify_max_hits self.use_small_bfd = use_small_bfd if(no_cpus is None): no_cpus = cpu_count() self.jackhmmer_uniref90_runner = None if(jackhmmer_binary_path is not None and uniref90_database_path is not None ): self.jackhmmer_uniref90_runner = jackhmmer.Jackhmmer( binary_path=jackhmmer_binary_path, database_path=uniref90_database_path, n_cpu=no_cpus, ) self.jackhmmer_small_bfd_runner = None self.hhblits_bfd_uniclust_runner = None if(bfd_database_path is not None): if use_small_bfd: self.jackhmmer_small_bfd_runner = jackhmmer.Jackhmmer( binary_path=jackhmmer_binary_path, database_path=bfd_database_path, n_cpu=no_cpus, ) else: dbs = [bfd_database_path] if(uniclust30_database_path is not None): dbs.append(uniclust30_database_path) self.hhblits_bfd_uniclust_runner = hhblits.HHBlits( binary_path=hhblits_binary_path, databases=dbs, n_cpu=no_cpus, ) self.jackhmmer_mgnify_runner = None if(mgnify_database_path is not None): self.jackhmmer_mgnify_runner = jackhmmer.Jackhmmer( binary_path=jackhmmer_binary_path, database_path=mgnify_database_path, n_cpu=no_cpus, ) self.hhsearch_pdb70_runner = None if(pdb70_database_path is not None): self.hhsearch_pdb70_runner = hhsearch.HHSearch( binary_path=hhsearch_binary_path, databases=[pdb70_database_path], n_cpu=no_cpus, ) def run( self, fasta_path: str, output_dir: str, ): """Runs alignment tools on a sequence""" if(self.jackhmmer_uniref90_runner is not None): jackhmmer_uniref90_result = self.jackhmmer_uniref90_runner.query( fasta_path )[0] uniref90_msa_as_a3m = parsers.convert_stockholm_to_a3m( jackhmmer_uniref90_result["sto"], max_sequences=self.uniref_max_hits ) uniref90_out_path = os.path.join(output_dir, "uniref90_hits.a3m") with open(uniref90_out_path, "w") as f: f.write(uniref90_msa_as_a3m) if(self.hhsearch_pdb70_runner is not None): hhsearch_result = self.hhsearch_pdb70_runner.query( uniref90_msa_as_a3m ) pdb70_out_path = os.path.join(output_dir, "pdb70_hits.hhr") with open(pdb70_out_path, "w") as f: f.write(hhsearch_result) if(self.jackhmmer_mgnify_runner is not None): jackhmmer_mgnify_result = self.jackhmmer_mgnify_runner.query( fasta_path )[0] mgnify_msa_as_a3m = parsers.convert_stockholm_to_a3m( jackhmmer_mgnify_result["sto"], max_sequences=self.mgnify_max_hits ) mgnify_out_path = os.path.join(output_dir, "mgnify_hits.a3m") with open(mgnify_out_path, "w") as f: f.write(mgnify_msa_as_a3m) if(self.use_small_bfd and self.jackhmmer_small_bfd_runner is not None): jackhmmer_small_bfd_result = self.jackhmmer_small_bfd_runner.query( fasta_path )[0] bfd_out_path = os.path.join(output_dir, "small_bfd_hits.sto") with open(bfd_out_path, "w") as f: f.write(jackhmmer_small_bfd_result["sto"]) elif(self.hhblits_bfd_uniclust_runner is not None): hhblits_bfd_uniclust_result = ( self.hhblits_bfd_uniclust_runner.query(fasta_path) ) if output_dir is not None: bfd_out_path = os.path.join(output_dir, "bfd_uniclust_hits.a3m") with open(bfd_out_path, "w") as f: f.write(hhblits_bfd_uniclust_result["a3m"]) class DataPipeline: """Assembles input features.""" def __init__( self, template_featurizer: Optional[templates.TemplateHitFeaturizer], ): self.template_featurizer = template_featurizer def _parse_msa_data( self, alignment_dir: str, alignment_index: Optional[Any] = None, ) -> Mapping[str, Any]: msa_data = {} if(alignment_index is not None): fp = open(os.path.join(alignment_dir, alignment_index["db"]), "rb") def read_msa(start, size): fp.seek(start) msa = fp.read(size).decode("utf-8") return msa for (name, start, size) in alignment_index["files"]: ext = os.path.splitext(name)[-1] if(ext == ".a3m"): msa, deletion_matrix = parsers.parse_a3m( read_msa(start, size) ) data = {"msa": msa, "deletion_matrix": deletion_matrix} elif(ext == ".sto"): msa, deletion_matrix, _ = parsers.parse_stockholm( read_msa(start, size) ) data = {"msa": msa, "deletion_matrix": deletion_matrix} else: continue msa_data[name] = data fp.close() else: for f in os.listdir(alignment_dir): path = os.path.join(alignment_dir, f) ext = os.path.splitext(f)[-1] if(ext == ".a3m"): with open(path, "r") as fp: msa, deletion_matrix = parsers.parse_a3m(fp.read()) data = {"msa": msa, "deletion_matrix": deletion_matrix} elif(ext == ".sto"): with open(path, "r") as fp: msa, deletion_matrix, _ = parsers.parse_stockholm( fp.read() ) data = {"msa": msa, "deletion_matrix": deletion_matrix} else: continue msa_data[f] = data return msa_data def _parse_template_hits( self, alignment_dir: str, alignment_index: Optional[Any] = None ) -> Mapping[str, Any]: all_hits = {} if(alignment_index is not None): fp = open(os.path.join(alignment_dir, alignment_index["db"]), 'rb') def read_template(start, size): fp.seek(start) return fp.read(size).decode("utf-8") for (name, start, size) in alignment_index["files"]: ext = os.path.splitext(name)[-1] if(ext == ".hhr"): hits = parsers.parse_hhr(read_template(start, size)) all_hits[name] = hits fp.close() else: for f in os.listdir(alignment_dir): path = os.path.join(alignment_dir, f) ext = os.path.splitext(f)[-1] if(ext == ".hhr"): with open(path, "r") as fp: hits = parsers.parse_hhr(fp.read()) all_hits[f] = hits return all_hits def _get_msas(self, alignment_dir: str, input_sequence: Optional[str] = None, alignment_index: Optional[str] = None, ): msa_data = self._parse_msa_data(alignment_dir, alignment_index) if(len(msa_data) == 0): if(input_sequence is None): raise ValueError( """ If the alignment dir contains no MSAs, an input sequence must be provided. """ ) msa_data["dummy"] = { "msa": [input_sequence], "deletion_matrix": [[0 for _ in input_sequence]], } msas, deletion_matrices = zip(*[ (v["msa"], v["deletion_matrix"]) for v in msa_data.values() ]) return msas, deletion_matrices def _process_msa_feats( self, alignment_dir: str, input_sequence: Optional[str] = None, alignment_index: Optional[str] = None ) -> Mapping[str, Any]: msas, deletion_matrices = self._get_msas( alignment_dir, input_sequence, alignment_index ) msa_features = make_msa_features( msas=msas, deletion_matrices=deletion_matrices, ) return msa_features # Load and process sequence embedding features def _process_seqemb_features(self, alignment_dir: str, ) -> Mapping[str, Any]: seqemb_features = {} for f in os.listdir(alignment_dir): path = os.path.join(alignment_dir, f) ext = os.path.splitext(f)[-1] if (ext == ".pt"): # Load embedding file seqemb_data = torch.load(path) seqemb_features["seq_embedding"] = seqemb_data["representations"][33] return seqemb_features def process_fasta( self, fasta_path: str, alignment_dir: str, alignment_index: Optional[str] = None, seqemb_mode: bool = False, ) -> FeatureDict: """Assembles features for a single sequence in a FASTA file""" with open(fasta_path) as f: fasta_str = f.read() input_seqs, input_descs = parsers.parse_fasta(fasta_str) if len(input_seqs) != 1: raise ValueError( f"More than one input sequence found in {fasta_path}." ) input_sequence = input_seqs[0] input_description = input_descs[0] num_res = len(input_sequence) hits = self._parse_template_hits(alignment_dir, alignment_index) template_features = make_template_features( input_sequence, hits, self.template_featurizer, ) sequence_features = make_sequence_features( sequence=input_sequence, description=input_description, num_res=num_res, ) sequence_embedding_features = {} # If using seqemb mode, generate a dummy MSA features using just the sequence if seqemb_mode: msa_features = make_dummy_msa_feats(input_sequence) sequence_embedding_features = self._process_seqemb_features(alignment_dir) else: msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index) return { **sequence_features, **msa_features, **template_features, **sequence_embedding_features, } def process_mmcif( self, mmcif: mmcif_parsing.MmcifObject, # parsing is expensive, so no path alignment_dir: str, chain_id: Optional[str] = None, alignment_index: Optional[str] = None, seqemb_mode: bool = False, ) -> FeatureDict: """ Assembles features for a specific chain in an mmCIF object. If chain_id is None, it is assumed that there is only one chain in the object. Otherwise, a ValueError is thrown. """ if chain_id is None: chains = mmcif.structure.get_chains() chain = next(chains, None) if chain is None: raise ValueError("No chains in mmCIF file") chain_id = chain.id mmcif_feats = make_mmcif_features(mmcif, chain_id) input_sequence = mmcif.chain_to_seqres[chain_id] hits = self._parse_template_hits(alignment_dir, alignment_index) template_features = make_template_features( input_sequence, hits, self.template_featurizer, query_release_date=to_date(mmcif.header["release_date"]) ) sequence_embedding_features = {} # If using seqemb mode, generate a dummy MSA features using just the sequence if seqemb_mode: msa_features = make_dummy_msa_feats(input_sequence) sequence_embedding_features = self._process_seqemb_features(alignment_dir) else: msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index) return {**mmcif_feats, **template_features, **msa_features, **sequence_embedding_features} def process_pdb( self, pdb_path: str, alignment_dir: str, is_distillation: bool = True, chain_id: Optional[str] = None, _structure_index: Optional[str] = None, alignment_index: Optional[str] = None, seqemb_mode: bool = False, ) -> FeatureDict: """ Assembles features for a protein in a PDB file. """ if(_structure_index is not None): db_dir = os.path.dirname(pdb_path) db = _structure_index["db"] db_path = os.path.join(db_dir, db) fp = open(db_path, "rb") _, offset, length = _structure_index["files"][0] fp.seek(offset) pdb_str = fp.read(length).decode("utf-8") fp.close() else: with open(pdb_path, 'r') as f: pdb_str = f.read() protein_object = protein.from_pdb_string(pdb_str, chain_id) input_sequence = _aatype_to_str_sequence(protein_object.aatype) description = os.path.splitext(os.path.basename(pdb_path))[0].upper() pdb_feats = make_pdb_features( protein_object, description, is_distillation=is_distillation ) hits = self._parse_template_hits(alignment_dir, alignment_index) template_features = make_template_features( input_sequence, hits, self.template_featurizer, ) sequence_embedding_features = {} # If in sequence embedding mode, generate dummy MSA features using just the input sequence if seqemb_mode: msa_features = make_dummy_msa_feats(input_sequence) sequence_embedding_features = self._process_seqemb_features(alignment_dir) else: msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index) return {**pdb_feats, **template_features, **msa_features, **sequence_embedding_features} def process_core( self, core_path: str, alignment_dir: str, alignment_index: Optional[str] = None, seqemb_mode: bool = False, ) -> FeatureDict: """ Assembles features for a protein in a ProteinNet .core file. """ with open(core_path, 'r') as f: core_str = f.read() protein_object = protein.from_proteinnet_string(core_str) input_sequence = _aatype_to_str_sequence(protein_object.aatype) description = os.path.splitext(os.path.basename(core_path))[0].upper() core_feats = make_protein_features(protein_object, description) hits = self._parse_template_hits(alignment_dir, alignment_index) template_features = make_template_features( input_sequence, hits, self.template_featurizer, ) sequence_embedding_features = {} # If in sequence embedding mode, generate dummy MSA features using just the input sequence if seqemb_mode: msa_features = make_dummy_msa_feats(input_sequence) sequence_embedding_features = self._process_seqemb_features(alignment_dir) else: msa_features = self._process_msa_feats(alignment_dir, input_sequence) return {**core_feats, **template_features, **msa_features, **sequence_embedding_features} def process_multiseq_fasta(self, fasta_path: str, super_alignment_dir: str, ri_gap: int = 200, ) -> FeatureDict: """ Assembles features for a multi-sequence FASTA. Uses Minkyung Baek's hack from Twitter (a.k.a. AlphaFold-Gap). """ with open(fasta_path, 'r') as f: fasta_str = f.read() input_seqs, input_descs = parsers.parse_fasta(fasta_str) # No whitespace allowed input_descs = [i.split()[0] for i in input_descs] # Stitch all of the sequences together input_sequence = ''.join(input_seqs) input_description = '-'.join(input_descs) num_res = len(input_sequence) sequence_features = make_sequence_features( sequence=input_sequence, description=input_description, num_res=num_res, ) seq_lens = [len(s) for s in input_seqs] total_offset = 0 for sl in seq_lens: total_offset += sl sequence_features["residue_index"][total_offset:] += ri_gap msa_list = [] deletion_mat_list = [] for seq, desc in zip(input_seqs, input_descs): alignment_dir = os.path.join( super_alignment_dir, desc ) msas, deletion_mats = self._get_msas( alignment_dir, seq, None ) msa_list.append(msas) deletion_mat_list.append(deletion_mats) final_msa = [] final_deletion_mat = [] msa_it = enumerate(zip(msa_list, deletion_mat_list)) for i, (msas, deletion_mats) in msa_it: prec, post = sum(seq_lens[:i]), sum(seq_lens[i + 1:]) msas = [ [prec * '-' + seq + post * '-' for seq in msa] for msa in msas ] deletion_mats = [ [prec * [0] + dml + post * [0] for dml in deletion_mat] for deletion_mat in deletion_mats ] assert(len(msas[0][-1]) == len(input_sequence)) final_msa.extend(msas) final_deletion_mat.extend(deletion_mats) msa_features = make_msa_features( msas=final_msa, deletion_matrices=final_deletion_mat, ) template_feature_list = [] for seq, desc in zip(input_seqs, input_descs): alignment_dir = os.path.join( super_alignment_dir, desc ) hits = self._parse_template_hits(alignment_dir, alignment_index=None) template_features = make_template_features( seq, hits, self.template_featurizer, ) template_feature_list.append(template_features) template_features = unify_template_features(template_feature_list) return { **sequence_features, **msa_features, **template_features, } ================================================ FILE: vendor/openfold/openfold/data/data_transforms.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import itertools from functools import reduce, wraps from operator import add import numpy as np import torch from openfold.config import NUM_RES, NUM_EXTRA_SEQ, NUM_TEMPLATES, NUM_MSA_SEQ from openfold.np import residue_constants as rc from openfold.utils.rigid_utils import Rotation, Rigid from openfold.utils.tensor_utils import ( tree_map, tensor_tree_map, batched_gather, ) MSA_FEATURE_NAMES = [ "msa", "deletion_matrix", "msa_mask", "msa_row_mask", "bert_mask", "true_msa", ] def cast_to_64bit_ints(protein): # We keep all ints as int64 for k, v in protein.items(): if v.dtype == torch.int32: protein[k] = v.type(torch.int64) return protein def make_one_hot(x, num_classes): x_one_hot = torch.zeros(*x.shape, num_classes, device=x.device) x_one_hot.scatter_(-1, x.unsqueeze(-1), 1) return x_one_hot def make_seq_mask(protein): protein["seq_mask"] = torch.ones( protein["aatype"].shape, dtype=torch.float32 ) return protein def make_template_mask(protein): protein["template_mask"] = torch.ones( protein["template_aatype"].shape[0], dtype=torch.float32 ) return protein def curry1(f): """Supply all arguments but the first.""" @wraps(f) def fc(*args, **kwargs): return lambda x: f(x, *args, **kwargs) return fc def make_all_atom_aatype(protein): protein["all_atom_aatype"] = protein["aatype"] return protein def fix_templates_aatype(protein): # Map one-hot to indices num_templates = protein["template_aatype"].shape[0] if(num_templates > 0): protein["template_aatype"] = torch.argmax( protein["template_aatype"], dim=-1 ) # Map hhsearch-aatype to our aatype. new_order_list = rc.MAP_HHBLITS_AATYPE_TO_OUR_AATYPE new_order = torch.tensor( new_order_list, dtype=torch.int64, device=protein["aatype"].device, ).expand(num_templates, -1) protein["template_aatype"] = torch.gather( new_order, 1, index=protein["template_aatype"] ) return protein def correct_msa_restypes(protein): """Correct MSA restype to have the same order as rc.""" new_order_list = rc.MAP_HHBLITS_AATYPE_TO_OUR_AATYPE new_order = torch.tensor( [new_order_list] * protein["msa"].shape[1], device=protein["msa"].device, ).transpose(0, 1) protein["msa"] = torch.gather(new_order, 0, protein["msa"]) perm_matrix = np.zeros((22, 22), dtype=np.float32) perm_matrix[range(len(new_order_list)), new_order_list] = 1.0 for k in protein: if "profile" in k: num_dim = protein[k].shape.as_list()[-1] assert num_dim in [ 20, 21, 22, ], "num_dim for %s out of expected range: %s" % (k, num_dim) protein[k] = torch.dot(protein[k], perm_matrix[:num_dim, :num_dim]) return protein def squeeze_features(protein): """Remove singleton and repeated dimensions in protein features.""" protein["aatype"] = torch.argmax(protein["aatype"], dim=-1) for k in [ "domain_name", "msa", "num_alignments", "seq_length", "sequence", "superfamily", "deletion_matrix", "resolution", "between_segment_residues", "residue_index", "template_all_atom_mask", ]: if k in protein: final_dim = protein[k].shape[-1] if isinstance(final_dim, int) and final_dim == 1: if torch.is_tensor(protein[k]): protein[k] = torch.squeeze(protein[k], dim=-1) else: protein[k] = np.squeeze(protein[k], axis=-1) for k in ["seq_length", "num_alignments"]: if k in protein: protein[k] = protein[k][0] return protein @curry1 def randomly_replace_msa_with_unknown(protein, replace_proportion): """Replace a portion of the MSA with 'X'.""" msa_mask = torch.rand(protein["msa"].shape) < replace_proportion x_idx = 20 gap_idx = 21 msa_mask = torch.logical_and(msa_mask, protein["msa"] != gap_idx) protein["msa"] = torch.where( msa_mask, torch.ones_like(protein["msa"]) * x_idx, protein["msa"] ) aatype_mask = torch.rand(protein["aatype"].shape) < replace_proportion protein["aatype"] = torch.where( aatype_mask, torch.ones_like(protein["aatype"]) * x_idx, protein["aatype"], ) return protein @curry1 def sample_msa(protein, max_seq, keep_extra, seed=None): """Sample MSA randomly, remaining sequences are stored are stored as `extra_*`.""" num_seq = protein["msa"].shape[0] g = None if seed is not None: g = torch.Generator(device=protein["msa"].device) g.manual_seed(seed) shuffled = torch.randperm(num_seq - 1, generator=g) + 1 index_order = torch.cat( (torch.tensor([0], device=shuffled.device), shuffled), dim=0 ) num_sel = min(max_seq, num_seq) sel_seq, not_sel_seq = torch.split( index_order, [num_sel, num_seq - num_sel] ) for k in MSA_FEATURE_NAMES: if k in protein: if keep_extra: protein["extra_" + k] = torch.index_select( protein[k], 0, not_sel_seq ) protein[k] = torch.index_select(protein[k], 0, sel_seq) return protein @curry1 def add_distillation_flag(protein, distillation): protein['is_distillation'] = distillation return protein @curry1 def sample_msa_distillation(protein, max_seq): if(protein["is_distillation"] == 1): protein = sample_msa(max_seq, keep_extra=False)(protein) return protein @curry1 def crop_extra_msa(protein, max_extra_msa): num_seq = protein["extra_msa"].shape[0] num_sel = min(max_extra_msa, num_seq) select_indices = torch.randperm(num_seq)[:num_sel] for k in MSA_FEATURE_NAMES: if "extra_" + k in protein: protein["extra_" + k] = torch.index_select( protein["extra_" + k], 0, select_indices ) return protein def delete_extra_msa(protein): for k in MSA_FEATURE_NAMES: if "extra_" + k in protein: del protein["extra_" + k] return protein # Not used in inference @curry1 def block_delete_msa(protein, config): num_seq = protein["msa"].shape[0] block_num_seq = torch.floor( torch.tensor(num_seq, dtype=torch.float32, device=protein["msa"].device) * config.msa_fraction_per_block ).to(torch.int32) if config.randomize_num_blocks: nb = torch.distributions.uniform.Uniform( 0, config.num_blocks + 1 ).sample() else: nb = config.num_blocks del_block_starts = torch.distributions.Uniform(0, num_seq).sample(nb) del_blocks = del_block_starts[:, None] + torch.range(block_num_seq) del_blocks = torch.clip(del_blocks, 0, num_seq - 1) del_indices = torch.unique(torch.sort(torch.reshape(del_blocks, [-1])))[0] # Make sure we keep the original sequence combined = torch.cat((torch.range(1, num_seq)[None], del_indices[None])) uniques, counts = combined.unique(return_counts=True) difference = uniques[counts == 1] intersection = uniques[counts > 1] keep_indices = torch.squeeze(difference, 0) for k in MSA_FEATURE_NAMES: if k in protein: protein[k] = torch.gather(protein[k], keep_indices) return protein @curry1 def nearest_neighbor_clusters(protein, gap_agreement_weight=0.0): weights = torch.cat( [ torch.ones(21, device=protein["msa"].device), gap_agreement_weight * torch.ones(1, device=protein["msa"].device), torch.zeros(1, device=protein["msa"].device) ], 0, ) # Make agreement score as weighted Hamming distance msa_one_hot = make_one_hot(protein["msa"], 23) sample_one_hot = protein["msa_mask"][:, :, None] * msa_one_hot extra_msa_one_hot = make_one_hot(protein["extra_msa"], 23) extra_one_hot = protein["extra_msa_mask"][:, :, None] * extra_msa_one_hot num_seq, num_res, _ = sample_one_hot.shape extra_num_seq, _, _ = extra_one_hot.shape # Compute tf.einsum('mrc,nrc,c->mn', sample_one_hot, extra_one_hot, weights) # in an optimized fashion to avoid possible memory or computation blowup. agreement = torch.matmul( torch.reshape(extra_one_hot, [extra_num_seq, num_res * 23]), torch.reshape( sample_one_hot * weights, [num_seq, num_res * 23] ).transpose(0, 1), ) # Assign each sequence in the extra sequences to the closest MSA sample protein["extra_cluster_assignment"] = torch.argmax(agreement, dim=1).to( torch.int64 ) return protein def unsorted_segment_sum(data, segment_ids, num_segments): """ Computes the sum along segments of a tensor. Similar to tf.unsorted_segment_sum, but only supports 1-D indices. :param data: A tensor whose segments are to be summed. :param segment_ids: The 1-D segment indices tensor. :param num_segments: The number of segments. :return: A tensor of same data type as the data argument. """ assert ( len(segment_ids.shape) == 1 and segment_ids.shape[0] == data.shape[0] ) segment_ids = segment_ids.view( segment_ids.shape[0], *((1,) * len(data.shape[1:])) ) segment_ids = segment_ids.expand(data.shape) shape = [num_segments] + list(data.shape[1:]) tensor = ( torch.zeros(*shape, device=segment_ids.device) .scatter_add_(0, segment_ids, data.float()) ) tensor = tensor.type(data.dtype) return tensor @curry1 def summarize_clusters(protein): """Produce profile and deletion_matrix_mean within each cluster.""" num_seq = protein["msa"].shape[0] def csum(x): return unsorted_segment_sum( x, protein["extra_cluster_assignment"], num_seq ) mask = protein["extra_msa_mask"] mask_counts = 1e-6 + protein["msa_mask"] + csum(mask) # Include center msa_sum = csum(mask[:, :, None] * make_one_hot(protein["extra_msa"], 23)) msa_sum += make_one_hot(protein["msa"], 23) # Original sequence protein["cluster_profile"] = msa_sum / mask_counts[:, :, None] del msa_sum del_sum = csum(mask * protein["extra_deletion_matrix"]) del_sum += protein["deletion_matrix"] # Original sequence protein["cluster_deletion_mean"] = del_sum / mask_counts del del_sum return protein def make_msa_mask(protein): """Mask features are all ones, but will later be zero-padded.""" protein["msa_mask"] = torch.ones(protein["msa"].shape, dtype=torch.float32) protein["msa_row_mask"] = torch.ones( (protein["msa"].shape[0]), dtype=torch.float32 ) return protein def pseudo_beta_fn(aatype, all_atom_positions, all_atom_mask): """Create pseudo beta features.""" is_gly = torch.eq(aatype, rc.restype_order["G"]) ca_idx = rc.atom_order["CA"] cb_idx = rc.atom_order["CB"] pseudo_beta = torch.where( torch.tile(is_gly[..., None], [1] * len(is_gly.shape) + [3]), all_atom_positions[..., ca_idx, :], all_atom_positions[..., cb_idx, :], ) if all_atom_mask is not None: pseudo_beta_mask = torch.where( is_gly, all_atom_mask[..., ca_idx], all_atom_mask[..., cb_idx] ) return pseudo_beta, pseudo_beta_mask else: return pseudo_beta @curry1 def make_pseudo_beta(protein, prefix=""): """Create pseudo-beta (alpha for glycine) position and mask.""" assert prefix in ["", "template_"] ( protein[prefix + "pseudo_beta"], protein[prefix + "pseudo_beta_mask"], ) = pseudo_beta_fn( protein["template_aatype" if prefix else "aatype"], protein[prefix + "all_atom_positions"], protein["template_all_atom_mask" if prefix else "all_atom_mask"], ) return protein @curry1 def add_constant_field(protein, key, value): protein[key] = torch.tensor(value, device=protein["msa"].device) return protein def shaped_categorical(probs, epsilon=1e-10): ds = probs.shape num_classes = ds[-1] distribution = torch.distributions.categorical.Categorical( torch.reshape(probs + epsilon, [-1, num_classes]) ) counts = distribution.sample() return torch.reshape(counts, ds[:-1]) def make_hhblits_profile(protein): """Compute the HHblits MSA profile if not already present.""" if "hhblits_profile" in protein: return protein # Compute the profile for every residue (over all MSA sequences). msa_one_hot = make_one_hot(protein["msa"], 22) protein["hhblits_profile"] = torch.mean(msa_one_hot, dim=0) return protein @curry1 def make_masked_msa(protein, config, replace_fraction): """Create data for BERT on raw MSA.""" # Add a random amino acid uniformly. random_aa = torch.tensor( [0.05] * 20 + [0.0, 0.0], dtype=torch.float32, device=protein["aatype"].device ) categorical_probs = ( config.uniform_prob * random_aa + config.profile_prob * protein["hhblits_profile"] + config.same_prob * make_one_hot(protein["msa"], 22) ) # Put all remaining probability on [MASK] which is a new column pad_shapes = list( reduce(add, [(0, 0) for _ in range(len(categorical_probs.shape))]) ) pad_shapes[1] = 1 mask_prob = ( 1.0 - config.profile_prob - config.same_prob - config.uniform_prob ) assert mask_prob >= 0.0 categorical_probs = torch.nn.functional.pad( categorical_probs, pad_shapes, value=mask_prob ) sh = protein["msa"].shape mask_position = torch.rand(sh) < replace_fraction bert_msa = shaped_categorical(categorical_probs) bert_msa = torch.where(mask_position, bert_msa, protein["msa"]) # Mix real and masked MSA protein["bert_mask"] = mask_position.to(torch.float32) protein["true_msa"] = protein["msa"] protein["msa"] = bert_msa return protein @curry1 def make_fixed_size( protein, shape_schema, msa_cluster_size, extra_msa_size, num_res=0, num_templates=0, ): """Guess at the MSA and sequence dimension to make fixed size.""" pad_size_map = { NUM_RES: num_res, NUM_MSA_SEQ: msa_cluster_size, NUM_EXTRA_SEQ: extra_msa_size, NUM_TEMPLATES: num_templates, } for k, v in protein.items(): # Don't transfer this to the accelerator. if k == "extra_cluster_assignment": continue shape = list(v.shape) schema = shape_schema[k] msg = "Rank mismatch between shape and shape schema for" assert len(shape) == len(schema), f"{msg} {k}: {shape} vs {schema}" pad_size = [ pad_size_map.get(s2, None) or s1 for (s1, s2) in zip(shape, schema) ] padding = [(0, p - v.shape[i]) for i, p in enumerate(pad_size)] padding.reverse() padding = list(itertools.chain(*padding)) if padding: protein[k] = torch.nn.functional.pad(v, padding) protein[k] = torch.reshape(protein[k], pad_size) return protein @curry1 def make_msa_feat(protein): """Create and concatenate MSA features.""" # Whether there is a domain break. Always zero for chains, but keeping for # compatibility with domain datasets. has_break = torch.clip( protein["between_segment_residues"].to(torch.float32), 0, 1 ) aatype_1hot = make_one_hot(protein["aatype"], 21) target_feat = [ torch.unsqueeze(has_break, dim=-1), aatype_1hot, # Everyone gets the original sequence. ] msa_1hot = make_one_hot(protein["msa"], 23) has_deletion = torch.clip(protein["deletion_matrix"], 0.0, 1.0) deletion_value = torch.atan(protein["deletion_matrix"] / 3.0) * ( 2.0 / np.pi ) msa_feat = [ msa_1hot, torch.unsqueeze(has_deletion, dim=-1), torch.unsqueeze(deletion_value, dim=-1), ] if "cluster_profile" in protein: deletion_mean_value = torch.atan( protein["cluster_deletion_mean"] / 3.0 ) * (2.0 / np.pi) msa_feat.extend( [ protein["cluster_profile"], torch.unsqueeze(deletion_mean_value, dim=-1), ] ) if "extra_deletion_matrix" in protein: protein["extra_has_deletion"] = torch.clip( protein["extra_deletion_matrix"], 0.0, 1.0 ) protein["extra_deletion_value"] = torch.atan( protein["extra_deletion_matrix"] / 3.0 ) * (2.0 / np.pi) protein["msa_feat"] = torch.cat(msa_feat, dim=-1) protein["target_feat"] = torch.cat(target_feat, dim=-1) return protein @curry1 def select_feat(protein, feature_list): return {k: v for k, v in protein.items() if k in feature_list} @curry1 def crop_templates(protein, max_templates): for k, v in protein.items(): if k.startswith("template_"): protein[k] = v[:max_templates] return protein def make_atom14_masks(protein): """Construct denser atom positions (14 dimensions instead of 37).""" restype_atom14_to_atom37 = [] restype_atom37_to_atom14 = [] restype_atom14_mask = [] for rt in rc.restypes: atom_names = rc.restype_name_to_atom14_names[rc.restype_1to3[rt]] restype_atom14_to_atom37.append( [(rc.atom_order[name] if name else 0) for name in atom_names] ) atom_name_to_idx14 = {name: i for i, name in enumerate(atom_names)} restype_atom37_to_atom14.append( [ (atom_name_to_idx14[name] if name in atom_name_to_idx14 else 0) for name in rc.atom_types ] ) restype_atom14_mask.append( [(1.0 if name else 0.0) for name in atom_names] ) # Add dummy mapping for restype 'UNK' restype_atom14_to_atom37.append([0] * 14) restype_atom37_to_atom14.append([0] * 37) restype_atom14_mask.append([0.0] * 14) restype_atom14_to_atom37 = torch.tensor( restype_atom14_to_atom37, dtype=torch.int32, device=protein["aatype"].device, ) restype_atom37_to_atom14 = torch.tensor( restype_atom37_to_atom14, dtype=torch.int32, device=protein["aatype"].device, ) restype_atom14_mask = torch.tensor( restype_atom14_mask, dtype=torch.float32, device=protein["aatype"].device, ) protein_aatype = protein['aatype'].to(torch.long) # create the mapping for (residx, atom14) --> atom37, i.e. an array # with shape (num_res, 14) containing the atom37 indices for this protein residx_atom14_to_atom37 = restype_atom14_to_atom37[protein_aatype] residx_atom14_mask = restype_atom14_mask[protein_aatype] protein["atom14_atom_exists"] = residx_atom14_mask protein["residx_atom14_to_atom37"] = residx_atom14_to_atom37.long() # create the gather indices for mapping back residx_atom37_to_atom14 = restype_atom37_to_atom14[protein_aatype] protein["residx_atom37_to_atom14"] = residx_atom37_to_atom14.long() # create the corresponding mask restype_atom37_mask = torch.zeros( [21, 37], dtype=torch.float32, device=protein["aatype"].device ) for restype, restype_letter in enumerate(rc.restypes): restype_name = rc.restype_1to3[restype_letter] atom_names = rc.residue_atoms[restype_name] for atom_name in atom_names: atom_type = rc.atom_order[atom_name] restype_atom37_mask[restype, atom_type] = 1 residx_atom37_mask = restype_atom37_mask[protein_aatype] protein["atom37_atom_exists"] = residx_atom37_mask return protein def make_atom14_masks_np(batch): batch = tree_map( lambda n: torch.tensor(n, device="cpu"), batch, np.ndarray ) out = make_atom14_masks(batch) out = tensor_tree_map(lambda t: np.array(t), out) return out def make_atom14_positions(protein): """Constructs denser atom positions (14 dimensions instead of 37).""" residx_atom14_mask = protein["atom14_atom_exists"] residx_atom14_to_atom37 = protein["residx_atom14_to_atom37"] # Create a mask for known ground truth positions. residx_atom14_gt_mask = residx_atom14_mask * batched_gather( protein["all_atom_mask"], residx_atom14_to_atom37, dim=-1, no_batch_dims=len(protein["all_atom_mask"].shape[:-1]), ) # Gather the ground truth positions. residx_atom14_gt_positions = residx_atom14_gt_mask[..., None] * ( batched_gather( protein["all_atom_positions"], residx_atom14_to_atom37, dim=-2, no_batch_dims=len(protein["all_atom_positions"].shape[:-2]), ) ) protein["atom14_atom_exists"] = residx_atom14_mask protein["atom14_gt_exists"] = residx_atom14_gt_mask protein["atom14_gt_positions"] = residx_atom14_gt_positions # As the atom naming is ambiguous for 7 of the 20 amino acids, provide # alternative ground truth coordinates where the naming is swapped restype_3 = [rc.restype_1to3[res] for res in rc.restypes] restype_3 += ["UNK"] # Matrices for renaming ambiguous atoms. all_matrices = { res: torch.eye( 14, dtype=protein["all_atom_mask"].dtype, device=protein["all_atom_mask"].device, ) for res in restype_3 } for resname, swap in rc.residue_atom_renaming_swaps.items(): correspondences = torch.arange( 14, device=protein["all_atom_mask"].device ) for source_atom_swap, target_atom_swap in swap.items(): source_index = rc.restype_name_to_atom14_names[resname].index( source_atom_swap ) target_index = rc.restype_name_to_atom14_names[resname].index( target_atom_swap ) correspondences[source_index] = target_index correspondences[target_index] = source_index renaming_matrix = protein["all_atom_mask"].new_zeros((14, 14)) for index, correspondence in enumerate(correspondences): renaming_matrix[index, correspondence] = 1.0 all_matrices[resname] = renaming_matrix renaming_matrices = torch.stack( [all_matrices[restype] for restype in restype_3] ) # Pick the transformation matrices for the given residue sequence # shape (num_res, 14, 14). renaming_transform = renaming_matrices[protein["aatype"]] # Apply it to the ground truth positions. shape (num_res, 14, 3). alternative_gt_positions = torch.einsum( "...rac,...rab->...rbc", residx_atom14_gt_positions, renaming_transform ) protein["atom14_alt_gt_positions"] = alternative_gt_positions # Create the mask for the alternative ground truth (differs from the # ground truth mask, if only one of the atoms in an ambiguous pair has a # ground truth position). alternative_gt_mask = torch.einsum( "...ra,...rab->...rb", residx_atom14_gt_mask, renaming_transform ) protein["atom14_alt_gt_exists"] = alternative_gt_mask # Create an ambiguous atoms mask. shape: (21, 14). restype_atom14_is_ambiguous = protein["all_atom_mask"].new_zeros((21, 14)) for resname, swap in rc.residue_atom_renaming_swaps.items(): for atom_name1, atom_name2 in swap.items(): restype = rc.restype_order[rc.restype_3to1[resname]] atom_idx1 = rc.restype_name_to_atom14_names[resname].index( atom_name1 ) atom_idx2 = rc.restype_name_to_atom14_names[resname].index( atom_name2 ) restype_atom14_is_ambiguous[restype, atom_idx1] = 1 restype_atom14_is_ambiguous[restype, atom_idx2] = 1 # From this create an ambiguous_mask for the given sequence. protein["atom14_atom_is_ambiguous"] = restype_atom14_is_ambiguous[ protein["aatype"] ] return protein def atom37_to_frames(protein, eps=1e-8): aatype = protein["aatype"] all_atom_positions = protein["all_atom_positions"] all_atom_mask = protein["all_atom_mask"] batch_dims = len(aatype.shape[:-1]) restype_rigidgroup_base_atom_names = np.full([21, 8, 3], "", dtype=object) restype_rigidgroup_base_atom_names[:, 0, :] = ["C", "CA", "N"] restype_rigidgroup_base_atom_names[:, 3, :] = ["CA", "C", "O"] for restype, restype_letter in enumerate(rc.restypes): resname = rc.restype_1to3[restype_letter] for chi_idx in range(4): if rc.chi_angles_mask[restype][chi_idx]: names = rc.chi_angles_atoms[resname][chi_idx] restype_rigidgroup_base_atom_names[ restype, chi_idx + 4, : ] = names[1:] restype_rigidgroup_mask = all_atom_mask.new_zeros( (*aatype.shape[:-1], 21, 8), ) restype_rigidgroup_mask[..., 0] = 1 restype_rigidgroup_mask[..., 3] = 1 restype_rigidgroup_mask[..., :20, 4:] = all_atom_mask.new_tensor( rc.chi_angles_mask ) lookuptable = rc.atom_order.copy() lookuptable[""] = 0 lookup = np.vectorize(lambda x: lookuptable[x]) restype_rigidgroup_base_atom37_idx = lookup( restype_rigidgroup_base_atom_names, ) restype_rigidgroup_base_atom37_idx = aatype.new_tensor( restype_rigidgroup_base_atom37_idx, ) restype_rigidgroup_base_atom37_idx = ( restype_rigidgroup_base_atom37_idx.view( *((1,) * batch_dims), *restype_rigidgroup_base_atom37_idx.shape ) ) residx_rigidgroup_base_atom37_idx = batched_gather( restype_rigidgroup_base_atom37_idx, aatype, dim=-3, no_batch_dims=batch_dims, ) base_atom_pos = batched_gather( all_atom_positions, residx_rigidgroup_base_atom37_idx, dim=-2, no_batch_dims=len(all_atom_positions.shape[:-2]), ) gt_frames = Rigid.from_3_points( p_neg_x_axis=base_atom_pos[..., 0, :], origin=base_atom_pos[..., 1, :], p_xy_plane=base_atom_pos[..., 2, :], eps=eps, ) group_exists = batched_gather( restype_rigidgroup_mask, aatype, dim=-2, no_batch_dims=batch_dims, ) gt_atoms_exist = batched_gather( all_atom_mask, residx_rigidgroup_base_atom37_idx, dim=-1, no_batch_dims=len(all_atom_mask.shape[:-1]), ) gt_exists = torch.min(gt_atoms_exist, dim=-1)[0] * group_exists rots = torch.eye(3, dtype=all_atom_mask.dtype, device=aatype.device) rots = torch.tile(rots, (*((1,) * batch_dims), 8, 1, 1)) rots[..., 0, 0, 0] = -1 rots[..., 0, 2, 2] = -1 rots = Rotation(rot_mats=rots) gt_frames = gt_frames.compose(Rigid(rots, None)) restype_rigidgroup_is_ambiguous = all_atom_mask.new_zeros( *((1,) * batch_dims), 21, 8 ) restype_rigidgroup_rots = torch.eye( 3, dtype=all_atom_mask.dtype, device=aatype.device ) restype_rigidgroup_rots = torch.tile( restype_rigidgroup_rots, (*((1,) * batch_dims), 21, 8, 1, 1), ) for resname, _ in rc.residue_atom_renaming_swaps.items(): restype = rc.restype_order[rc.restype_3to1[resname]] chi_idx = int(sum(rc.chi_angles_mask[restype]) - 1) restype_rigidgroup_is_ambiguous[..., restype, chi_idx + 4] = 1 restype_rigidgroup_rots[..., restype, chi_idx + 4, 1, 1] = -1 restype_rigidgroup_rots[..., restype, chi_idx + 4, 2, 2] = -1 residx_rigidgroup_is_ambiguous = batched_gather( restype_rigidgroup_is_ambiguous, aatype, dim=-2, no_batch_dims=batch_dims, ) residx_rigidgroup_ambiguity_rot = batched_gather( restype_rigidgroup_rots, aatype, dim=-4, no_batch_dims=batch_dims, ) residx_rigidgroup_ambiguity_rot = Rotation( rot_mats=residx_rigidgroup_ambiguity_rot ) alt_gt_frames = gt_frames.compose( Rigid(residx_rigidgroup_ambiguity_rot, None) ) gt_frames_tensor = gt_frames.to_tensor_4x4() alt_gt_frames_tensor = alt_gt_frames.to_tensor_4x4() protein["rigidgroups_gt_frames"] = gt_frames_tensor protein["rigidgroups_gt_exists"] = gt_exists protein["rigidgroups_group_exists"] = group_exists protein["rigidgroups_group_is_ambiguous"] = residx_rigidgroup_is_ambiguous protein["rigidgroups_alt_gt_frames"] = alt_gt_frames_tensor return protein def get_chi_atom_indices(): """Returns atom indices needed to compute chi angles for all residue types. Returns: A tensor of shape [residue_types=21, chis=4, atoms=4]. The residue types are in the order specified in rc.restypes + unknown residue type at the end. For chi angles which are not defined on the residue, the positions indices are by default set to 0. """ chi_atom_indices = [] for residue_name in rc.restypes: residue_name = rc.restype_1to3[residue_name] residue_chi_angles = rc.chi_angles_atoms[residue_name] atom_indices = [] for chi_angle in residue_chi_angles: atom_indices.append([rc.atom_order[atom] for atom in chi_angle]) for _ in range(4 - len(atom_indices)): atom_indices.append( [0, 0, 0, 0] ) # For chi angles not defined on the AA. chi_atom_indices.append(atom_indices) chi_atom_indices.append([[0, 0, 0, 0]] * 4) # For UNKNOWN residue. return chi_atom_indices @curry1 def atom37_to_torsion_angles( protein, prefix="", ): """ Convert coordinates to torsion angles. This function is extremely sensitive to floating point imprecisions and should be run with double precision whenever possible. Args: Dict containing: * (prefix)aatype: [*, N_res] residue indices * (prefix)all_atom_positions: [*, N_res, 37, 3] atom positions (in atom37 format) * (prefix)all_atom_mask: [*, N_res, 37] atom position mask Returns: The same dictionary updated with the following features: "(prefix)torsion_angles_sin_cos" ([*, N_res, 7, 2]) Torsion angles "(prefix)alt_torsion_angles_sin_cos" ([*, N_res, 7, 2]) Alternate torsion angles (accounting for 180-degree symmetry) "(prefix)torsion_angles_mask" ([*, N_res, 7]) Torsion angles mask """ aatype = protein[prefix + "aatype"] all_atom_positions = protein[prefix + "all_atom_positions"] all_atom_mask = protein[prefix + "all_atom_mask"] aatype = torch.clamp(aatype, max=20) pad = all_atom_positions.new_zeros( [*all_atom_positions.shape[:-3], 1, 37, 3] ) prev_all_atom_positions = torch.cat( [pad, all_atom_positions[..., :-1, :, :]], dim=-3 ) pad = all_atom_mask.new_zeros([*all_atom_mask.shape[:-2], 1, 37]) prev_all_atom_mask = torch.cat([pad, all_atom_mask[..., :-1, :]], dim=-2) pre_omega_atom_pos = torch.cat( [prev_all_atom_positions[..., 1:3, :], all_atom_positions[..., :2, :]], dim=-2, ) phi_atom_pos = torch.cat( [prev_all_atom_positions[..., 2:3, :], all_atom_positions[..., :3, :]], dim=-2, ) psi_atom_pos = torch.cat( [all_atom_positions[..., :3, :], all_atom_positions[..., 4:5, :]], dim=-2, ) pre_omega_mask = torch.prod( prev_all_atom_mask[..., 1:3], dim=-1 ) * torch.prod(all_atom_mask[..., :2], dim=-1) phi_mask = prev_all_atom_mask[..., 2] * torch.prod( all_atom_mask[..., :3], dim=-1, dtype=all_atom_mask.dtype ) psi_mask = ( torch.prod(all_atom_mask[..., :3], dim=-1, dtype=all_atom_mask.dtype) * all_atom_mask[..., 4] ) chi_atom_indices = torch.as_tensor( get_chi_atom_indices(), device=aatype.device ) atom_indices = chi_atom_indices[..., aatype, :, :] chis_atom_pos = batched_gather( all_atom_positions, atom_indices, -2, len(atom_indices.shape[:-2]) ) chi_angles_mask = list(rc.chi_angles_mask) chi_angles_mask.append([0.0, 0.0, 0.0, 0.0]) chi_angles_mask = all_atom_mask.new_tensor(chi_angles_mask) chis_mask = chi_angles_mask[aatype, :] chi_angle_atoms_mask = batched_gather( all_atom_mask, atom_indices, dim=-1, no_batch_dims=len(atom_indices.shape[:-2]), ) chi_angle_atoms_mask = torch.prod( chi_angle_atoms_mask, dim=-1, dtype=chi_angle_atoms_mask.dtype ) chis_mask = chis_mask * chi_angle_atoms_mask torsions_atom_pos = torch.cat( [ pre_omega_atom_pos[..., None, :, :], phi_atom_pos[..., None, :, :], psi_atom_pos[..., None, :, :], chis_atom_pos, ], dim=-3, ) torsion_angles_mask = torch.cat( [ pre_omega_mask[..., None], phi_mask[..., None], psi_mask[..., None], chis_mask, ], dim=-1, ) torsion_frames = Rigid.from_3_points( torsions_atom_pos[..., 1, :], torsions_atom_pos[..., 2, :], torsions_atom_pos[..., 0, :], eps=1e-8, ) fourth_atom_rel_pos = torsion_frames.invert().apply( torsions_atom_pos[..., 3, :] ) torsion_angles_sin_cos = torch.stack( [fourth_atom_rel_pos[..., 2], fourth_atom_rel_pos[..., 1]], dim=-1 ) denom = torch.sqrt( torch.sum( torch.square(torsion_angles_sin_cos), dim=-1, dtype=torsion_angles_sin_cos.dtype, keepdims=True, ) + 1e-8 ) torsion_angles_sin_cos = torsion_angles_sin_cos / denom torsion_angles_sin_cos = torsion_angles_sin_cos * all_atom_mask.new_tensor( [1.0, 1.0, -1.0, 1.0, 1.0, 1.0, 1.0], )[((None,) * len(torsion_angles_sin_cos.shape[:-2])) + (slice(None), None)] chi_is_ambiguous = torsion_angles_sin_cos.new_tensor( rc.chi_pi_periodic, )[aatype, ...] mirror_torsion_angles = torch.cat( [ all_atom_mask.new_ones(*aatype.shape, 3), 1.0 - 2.0 * chi_is_ambiguous, ], dim=-1, ) alt_torsion_angles_sin_cos = ( torsion_angles_sin_cos * mirror_torsion_angles[..., None] ) protein[prefix + "torsion_angles_sin_cos"] = torsion_angles_sin_cos protein[prefix + "alt_torsion_angles_sin_cos"] = alt_torsion_angles_sin_cos protein[prefix + "torsion_angles_mask"] = torsion_angles_mask return protein def get_backbone_frames(protein): # DISCREPANCY: AlphaFold uses tensor_7s here. I don't know why. protein["backbone_rigid_tensor"] = protein["rigidgroups_gt_frames"][ ..., 0, :, : ] protein["backbone_rigid_mask"] = protein["rigidgroups_gt_exists"][..., 0] return protein def get_chi_angles(protein): dtype = protein["all_atom_mask"].dtype protein["chi_angles_sin_cos"] = ( protein["torsion_angles_sin_cos"][..., 3:, :] ).to(dtype) protein["chi_mask"] = protein["torsion_angles_mask"][..., 3:].to(dtype) return protein @curry1 def random_crop_to_size( protein, crop_size, max_templates, shape_schema, subsample_templates=False, seed=None, ): """Crop randomly to `crop_size`, or keep as is if shorter than that.""" # We want each ensemble to be cropped the same way g = None if seed is not None: g = torch.Generator(device=protein["seq_length"].device) g.manual_seed(seed) seq_length = protein["seq_length"] if "template_mask" in protein: num_templates = protein["template_mask"].shape[-1] else: num_templates = 0 # No need to subsample templates if there aren't any subsample_templates = subsample_templates and num_templates num_res_crop_size = min(int(seq_length), crop_size) def _randint(lower, upper): return int(torch.randint( lower, upper + 1, (1,), device=protein["seq_length"].device, generator=g, )[0]) if subsample_templates: templates_crop_start = _randint(0, num_templates) templates_select_indices = torch.randperm( num_templates, device=protein["seq_length"].device, generator=g ) else: templates_crop_start = 0 num_templates_crop_size = min( num_templates - templates_crop_start, max_templates ) n = seq_length - num_res_crop_size if "use_clamped_fape" in protein and protein["use_clamped_fape"] == 1.: right_anchor = n else: x = _randint(0, n) right_anchor = n - x num_res_crop_start = _randint(0, right_anchor) for k, v in protein.items(): if k not in shape_schema or ( "template" not in k and NUM_RES not in shape_schema[k] ): continue # randomly permute the templates before cropping them. if k.startswith("template") and subsample_templates: v = v[templates_select_indices] slices = [] for i, (dim_size, dim) in enumerate(zip(shape_schema[k], v.shape)): is_num_res = dim_size == NUM_RES if i == 0 and k.startswith("template"): crop_size = num_templates_crop_size crop_start = templates_crop_start else: crop_start = num_res_crop_start if is_num_res else 0 crop_size = num_res_crop_size if is_num_res else dim slices.append(slice(crop_start, crop_start + crop_size)) protein[k] = v[slices] protein["seq_length"] = protein["seq_length"].new_tensor(num_res_crop_size) return protein ================================================ FILE: vendor/openfold/openfold/data/errors.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """General-purpose errors used throughout the data pipeline""" class Error(Exception): """Base class for exceptions.""" class MultipleChainsError(Error): """An error indicating that multiple chains were found for a given ID.""" ================================================ FILE: vendor/openfold/openfold/data/feature_pipeline.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import copy from typing import Mapping, Tuple, List, Optional, Dict, Sequence import ml_collections import numpy as np import torch from openfold.data import input_pipeline FeatureDict = Mapping[str, np.ndarray] TensorDict = Dict[str, torch.Tensor] def np_to_tensor_dict( np_example: Mapping[str, np.ndarray], features: Sequence[str], ) -> TensorDict: """Creates dict of tensors from a dict of NumPy arrays. Args: np_example: A dict of NumPy feature arrays. features: A list of strings of feature names to be returned in the dataset. Returns: A dictionary of features mapping feature names to features. Only the given features are returned, all other ones are filtered out. """ # torch generates warnings if feature is already a torch Tensor to_tensor = lambda t: torch.tensor(t) if type(t) != torch.Tensor else t.clone().detach() tensor_dict = { k: to_tensor(v) for k, v in np_example.items() if k in features } return tensor_dict def make_data_config( config: ml_collections.ConfigDict, mode: str, num_res: int, ) -> Tuple[ml_collections.ConfigDict, List[str]]: cfg = copy.deepcopy(config) mode_cfg = cfg[mode] with cfg.unlocked(): if mode_cfg.crop_size is None: mode_cfg.crop_size = num_res feature_names = cfg.common.unsupervised_features # Add seqemb related features if using seqemb mode. if cfg.seqemb_mode.enabled: feature_names += cfg.common.seqemb_features if cfg.common.use_templates: feature_names += cfg.common.template_features if cfg[mode].supervised: feature_names += cfg.supervised.supervised_features return cfg, feature_names def np_example_to_features( np_example: FeatureDict, config: ml_collections.ConfigDict, mode: str, ): np_example = dict(np_example) num_res = int(np_example["seq_length"][0]) cfg, feature_names = make_data_config(config, mode=mode, num_res=num_res) if "deletion_matrix_int" in np_example: np_example["deletion_matrix"] = np_example.pop( "deletion_matrix_int" ).astype(np.float32) tensor_dict = np_to_tensor_dict( np_example=np_example, features=feature_names ) with torch.no_grad(): features = input_pipeline.process_tensors_from_config( tensor_dict, cfg.common, cfg[mode], ) if mode == "train": p = torch.rand(1).item() use_clamped_fape_value = float(p < cfg.supervised.clamp_prob) features["use_clamped_fape"] = torch.full( size=[cfg.common.max_recycling_iters + 1], fill_value=use_clamped_fape_value, dtype=torch.float32, ) else: features["use_clamped_fape"] = torch.full( size=[cfg.common.max_recycling_iters + 1], fill_value=0.0, dtype=torch.float32, ) return {k: v for k, v in features.items()} class FeaturePipeline: def __init__( self, config: ml_collections.ConfigDict, ): self.config = config def process_features( self, raw_features: FeatureDict, mode: str = "train", ) -> FeatureDict: return np_example_to_features( np_example=raw_features, config=self.config, mode=mode, ) ================================================ FILE: vendor/openfold/openfold/data/input_pipeline.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import random import torch from openfold.data import data_transforms def nonensembled_transform_fns(common_cfg, mode_cfg): """Input pipeline data transformers that are not ensembled.""" transforms = [ data_transforms.cast_to_64bit_ints, data_transforms.correct_msa_restypes, data_transforms.squeeze_features, data_transforms.randomly_replace_msa_with_unknown(0.0), data_transforms.make_seq_mask, data_transforms.make_msa_mask, data_transforms.make_hhblits_profile, ] if common_cfg.use_templates: transforms.extend( [ data_transforms.fix_templates_aatype, data_transforms.make_template_mask, data_transforms.make_pseudo_beta("template_"), ] ) if common_cfg.use_template_torsion_angles: transforms.extend( [ data_transforms.atom37_to_torsion_angles("template_"), ] ) transforms.extend( [ data_transforms.make_atom14_masks, ] ) if mode_cfg.supervised: transforms.extend( [ data_transforms.make_atom14_positions, data_transforms.atom37_to_frames, data_transforms.atom37_to_torsion_angles(""), data_transforms.make_pseudo_beta(""), data_transforms.get_backbone_frames, data_transforms.get_chi_angles, ] ) return transforms def ensembled_transform_fns(common_cfg, mode_cfg, ensemble_seed): """Input pipeline data transformers that can be ensembled and averaged.""" transforms = [] if "max_distillation_msa_clusters" in mode_cfg: transforms.append( data_transforms.sample_msa_distillation( mode_cfg.max_distillation_msa_clusters ) ) if common_cfg.reduce_msa_clusters_by_max_templates: pad_msa_clusters = mode_cfg.max_msa_clusters - mode_cfg.max_templates else: pad_msa_clusters = mode_cfg.max_msa_clusters max_msa_clusters = pad_msa_clusters max_extra_msa = mode_cfg.max_extra_msa msa_seed = None if(not common_cfg.resample_msa_in_recycling): msa_seed = ensemble_seed transforms.append( data_transforms.sample_msa( max_msa_clusters, keep_extra=True, seed=msa_seed, ) ) if "masked_msa" in common_cfg: # Masked MSA should come *before* MSA clustering so that # the clustering and full MSA profile do not leak information about # the masked locations and secret corrupted locations. transforms.append( data_transforms.make_masked_msa( common_cfg.masked_msa, mode_cfg.masked_msa_replace_fraction ) ) if common_cfg.msa_cluster_features: transforms.append(data_transforms.nearest_neighbor_clusters()) transforms.append(data_transforms.summarize_clusters()) # Crop after creating the cluster profiles. if max_extra_msa: transforms.append(data_transforms.crop_extra_msa(max_extra_msa)) else: transforms.append(data_transforms.delete_extra_msa) transforms.append(data_transforms.make_msa_feat()) crop_feats = dict(common_cfg.feat) if mode_cfg.fixed_size: transforms.append(data_transforms.select_feat(list(crop_feats))) transforms.append( data_transforms.random_crop_to_size( mode_cfg.crop_size, mode_cfg.max_templates, crop_feats, mode_cfg.subsample_templates, seed=ensemble_seed + 1, ) ) transforms.append( data_transforms.make_fixed_size( crop_feats, pad_msa_clusters, mode_cfg.max_extra_msa, mode_cfg.crop_size, mode_cfg.max_templates, ) ) else: transforms.append( data_transforms.crop_templates(mode_cfg.max_templates) ) return transforms def process_tensors_from_config(tensors, common_cfg, mode_cfg): """Based on the config, apply filters and transformations to the data.""" ensemble_seed = random.randint(0, torch.iinfo(torch.int32).max) def wrap_ensemble_fn(data, i): """Function to be mapped over the ensemble dimension.""" d = data.copy() fns = ensembled_transform_fns( common_cfg, mode_cfg, ensemble_seed, ) fn = compose(fns) d["ensemble_index"] = i return fn(d) no_templates = True if("template_aatype" in tensors): no_templates = tensors["template_aatype"].shape[0] == 0 nonensembled = nonensembled_transform_fns( common_cfg, mode_cfg, ) tensors = compose(nonensembled)(tensors) if("no_recycling_iters" in tensors): num_recycling = int(tensors["no_recycling_iters"]) else: num_recycling = common_cfg.max_recycling_iters tensors = map_fn( lambda x: wrap_ensemble_fn(tensors, x), torch.arange(num_recycling + 1) ) return tensors @data_transforms.curry1 def compose(x, fs): for f in fs: x = f(x) return x def map_fn(fun, x): ensembles = [fun(elem) for elem in x] features = ensembles[0].keys() ensembled_dict = {} for feat in features: ensembled_dict[feat] = torch.stack( [dict_i[feat] for dict_i in ensembles], dim=-1 ) return ensembled_dict ================================================ FILE: vendor/openfold/openfold/data/mmcif_parsing.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Parses the mmCIF file format.""" import collections import dataclasses import io import json import logging import os from typing import Any, Mapping, Optional, Sequence, Tuple from Bio import PDB from Bio.Data import SCOPData import numpy as np from openfold.data.errors import MultipleChainsError import openfold.np.residue_constants as residue_constants # Type aliases: ChainId = str PdbHeader = Mapping[str, Any] PdbStructure = PDB.Structure.Structure SeqRes = str MmCIFDict = Mapping[str, Sequence[str]] @dataclasses.dataclass(frozen=True) class Monomer: id: str num: int # Note - mmCIF format provides no guarantees on the type of author-assigned # sequence numbers. They need not be integers. @dataclasses.dataclass(frozen=True) class AtomSite: residue_name: str author_chain_id: str mmcif_chain_id: str author_seq_num: str mmcif_seq_num: int insertion_code: str hetatm_atom: str model_num: int # Used to map SEQRES index to a residue in the structure. @dataclasses.dataclass(frozen=True) class ResiduePosition: chain_id: str residue_number: int insertion_code: str @dataclasses.dataclass(frozen=True) class ResidueAtPosition: position: Optional[ResiduePosition] name: str is_missing: bool hetflag: str @dataclasses.dataclass(frozen=True) class MmcifObject: """Representation of a parsed mmCIF file. Contains: file_id: A meaningful name, e.g. a pdb_id. Should be unique amongst all files being processed. header: Biopython header. structure: Biopython structure. chain_to_seqres: Dict mapping chain_id to 1 letter amino acid sequence. E.g. {'A': 'ABCDEFG'} seqres_to_structure: Dict; for each chain_id contains a mapping between SEQRES index and a ResidueAtPosition. e.g. {'A': {0: ResidueAtPosition, 1: ResidueAtPosition, ...}} raw_string: The raw string used to construct the MmcifObject. """ file_id: str header: PdbHeader structure: PdbStructure chain_to_seqres: Mapping[ChainId, SeqRes] seqres_to_structure: Mapping[ChainId, Mapping[int, ResidueAtPosition]] raw_string: Any @dataclasses.dataclass(frozen=True) class ParsingResult: """Returned by the parse function. Contains: mmcif_object: A MmcifObject, may be None if no chain could be successfully parsed. errors: A dict mapping (file_id, chain_id) to any exception generated. """ mmcif_object: Optional[MmcifObject] errors: Mapping[Tuple[str, str], Any] class ParseError(Exception): """An error indicating that an mmCIF file could not be parsed.""" def mmcif_loop_to_list( prefix: str, parsed_info: MmCIFDict ) -> Sequence[Mapping[str, str]]: """Extracts loop associated with a prefix from mmCIF data as a list. Reference for loop_ in mmCIF: http://mmcif.wwpdb.org/docs/tutorials/mechanics/pdbx-mmcif-syntax.html Args: prefix: Prefix shared by each of the data items in the loop. e.g. '_entity_poly_seq.', where the data items are _entity_poly_seq.num, _entity_poly_seq.mon_id. Should include the trailing period. parsed_info: A dict of parsed mmCIF data, e.g. _mmcif_dict from a Biopython parser. Returns: Returns a list of dicts; each dict represents 1 entry from an mmCIF loop. """ cols = [] data = [] for key, value in parsed_info.items(): if key.startswith(prefix): cols.append(key) data.append(value) assert all([len(xs) == len(data[0]) for xs in data]), ( "mmCIF error: Not all loops are the same length: %s" % cols ) return [dict(zip(cols, xs)) for xs in zip(*data)] def mmcif_loop_to_dict( prefix: str, index: str, parsed_info: MmCIFDict, ) -> Mapping[str, Mapping[str, str]]: """Extracts loop associated with a prefix from mmCIF data as a dictionary. Args: prefix: Prefix shared by each of the data items in the loop. e.g. '_entity_poly_seq.', where the data items are _entity_poly_seq.num, _entity_poly_seq.mon_id. Should include the trailing period. index: Which item of loop data should serve as the key. parsed_info: A dict of parsed mmCIF data, e.g. _mmcif_dict from a Biopython parser. Returns: Returns a dict of dicts; each dict represents 1 entry from an mmCIF loop, indexed by the index column. """ entries = mmcif_loop_to_list(prefix, parsed_info) return {entry[index]: entry for entry in entries} def parse( *, file_id: str, mmcif_string: str, catch_all_errors: bool = True ) -> ParsingResult: """Entry point, parses an mmcif_string. Args: file_id: A string identifier for this file. Should be unique within the collection of files being processed. mmcif_string: Contents of an mmCIF file. catch_all_errors: If True, all exceptions are caught and error messages are returned as part of the ParsingResult. If False exceptions will be allowed to propagate. Returns: A ParsingResult. """ errors = {} try: parser = PDB.MMCIFParser(QUIET=True) handle = io.StringIO(mmcif_string) full_structure = parser.get_structure("", handle) first_model_structure = _get_first_model(full_structure) # Extract the _mmcif_dict from the parser, which contains useful fields not # reflected in the Biopython structure. parsed_info = parser._mmcif_dict # pylint:disable=protected-access # Ensure all values are lists, even if singletons. for key, value in parsed_info.items(): if not isinstance(value, list): parsed_info[key] = [value] header = _get_header(parsed_info) # Determine the protein chains, and their start numbers according to the # internal mmCIF numbering scheme (likely but not guaranteed to be 1). valid_chains = _get_protein_chains(parsed_info=parsed_info) if not valid_chains: return ParsingResult( None, {(file_id, ""): "No protein chains found in this file."} ) seq_start_num = { chain_id: min([monomer.num for monomer in seq]) for chain_id, seq in valid_chains.items() } # Loop over the atoms for which we have coordinates. Populate two mappings: # -mmcif_to_author_chain_id (maps internal mmCIF chain ids to chain ids used # the authors / Biopython). # -seq_to_structure_mappings (maps idx into sequence to ResidueAtPosition). mmcif_to_author_chain_id = {} seq_to_structure_mappings = {} for atom in _get_atom_site_list(parsed_info): if atom.model_num != "1": # We only process the first model at the moment. continue mmcif_to_author_chain_id[atom.mmcif_chain_id] = atom.author_chain_id if atom.mmcif_chain_id in valid_chains: hetflag = " " if atom.hetatm_atom == "HETATM": # Water atoms are assigned a special hetflag of W in Biopython. We # need to do the same, so that this hetflag can be used to fetch # a residue from the Biopython structure by id. if atom.residue_name in ("HOH", "WAT"): hetflag = "W" else: hetflag = "H_" + atom.residue_name insertion_code = atom.insertion_code if not _is_set(atom.insertion_code): insertion_code = " " position = ResiduePosition( chain_id=atom.author_chain_id, residue_number=int(atom.author_seq_num), insertion_code=insertion_code, ) seq_idx = ( int(atom.mmcif_seq_num) - seq_start_num[atom.mmcif_chain_id] ) current = seq_to_structure_mappings.get( atom.author_chain_id, {} ) current[seq_idx] = ResidueAtPosition( position=position, name=atom.residue_name, is_missing=False, hetflag=hetflag, ) seq_to_structure_mappings[atom.author_chain_id] = current # Add missing residue information to seq_to_structure_mappings. for chain_id, seq_info in valid_chains.items(): author_chain = mmcif_to_author_chain_id[chain_id] current_mapping = seq_to_structure_mappings[author_chain] for idx, monomer in enumerate(seq_info): if idx not in current_mapping: current_mapping[idx] = ResidueAtPosition( position=None, name=monomer.id, is_missing=True, hetflag=" ", ) author_chain_to_sequence = {} for chain_id, seq_info in valid_chains.items(): author_chain = mmcif_to_author_chain_id[chain_id] seq = [] for monomer in seq_info: code = SCOPData.protein_letters_3to1.get(monomer.id, "X") seq.append(code if len(code) == 1 else "X") seq = "".join(seq) author_chain_to_sequence[author_chain] = seq mmcif_object = MmcifObject( file_id=file_id, header=header, structure=first_model_structure, chain_to_seqres=author_chain_to_sequence, seqres_to_structure=seq_to_structure_mappings, raw_string=parsed_info, ) return ParsingResult(mmcif_object=mmcif_object, errors=errors) except Exception as e: # pylint:disable=broad-except errors[(file_id, "")] = e if not catch_all_errors: raise return ParsingResult(mmcif_object=None, errors=errors) def _get_first_model(structure: PdbStructure) -> PdbStructure: """Returns the first model in a Biopython structure.""" return next(structure.get_models()) _MIN_LENGTH_OF_CHAIN_TO_BE_COUNTED_AS_PEPTIDE = 21 def get_release_date(parsed_info: MmCIFDict) -> str: """Returns the oldest revision date.""" revision_dates = parsed_info["_pdbx_audit_revision_history.revision_date"] return min(revision_dates) def _get_header(parsed_info: MmCIFDict) -> PdbHeader: """Returns a basic header containing method, release date and resolution.""" header = {} experiments = mmcif_loop_to_list("_exptl.", parsed_info) header["structure_method"] = ",".join( [experiment["_exptl.method"].lower() for experiment in experiments] ) # Note: The release_date here corresponds to the oldest revision. We prefer to # use this for dataset filtering over the deposition_date. if "_pdbx_audit_revision_history.revision_date" in parsed_info: header["release_date"] = get_release_date(parsed_info) else: logging.warning( "Could not determine release_date: %s", parsed_info["_entry.id"] ) header["resolution"] = 0.00 for res_key in ( "_refine.ls_d_res_high", "_em_3d_reconstruction.resolution", "_reflns.d_resolution_high", ): if res_key in parsed_info: try: raw_resolution = parsed_info[res_key][0] header["resolution"] = float(raw_resolution) except ValueError: logging.info( "Invalid resolution format: %s", parsed_info[res_key] ) return header def _get_atom_site_list(parsed_info: MmCIFDict) -> Sequence[AtomSite]: """Returns list of atom sites; contains data not present in the structure.""" return [ AtomSite(*site) for site in zip( # pylint:disable=g-complex-comprehension parsed_info["_atom_site.label_comp_id"], parsed_info["_atom_site.auth_asym_id"], parsed_info["_atom_site.label_asym_id"], parsed_info["_atom_site.auth_seq_id"], parsed_info["_atom_site.label_seq_id"], parsed_info["_atom_site.pdbx_PDB_ins_code"], parsed_info["_atom_site.group_PDB"], parsed_info["_atom_site.pdbx_PDB_model_num"], ) ] def _get_protein_chains( *, parsed_info: Mapping[str, Any] ) -> Mapping[ChainId, Sequence[Monomer]]: """Extracts polymer information for protein chains only. Args: parsed_info: _mmcif_dict produced by the Biopython parser. Returns: A dict mapping mmcif chain id to a list of Monomers. """ # Get polymer information for each entity in the structure. entity_poly_seqs = mmcif_loop_to_list("_entity_poly_seq.", parsed_info) polymers = collections.defaultdict(list) for entity_poly_seq in entity_poly_seqs: polymers[entity_poly_seq["_entity_poly_seq.entity_id"]].append( Monomer( id=entity_poly_seq["_entity_poly_seq.mon_id"], num=int(entity_poly_seq["_entity_poly_seq.num"]), ) ) # Get chemical compositions. Will allow us to identify which of these polymers # are proteins. chem_comps = mmcif_loop_to_dict("_chem_comp.", "_chem_comp.id", parsed_info) # Get chains information for each entity. Necessary so that we can return a # dict keyed on chain id rather than entity. struct_asyms = mmcif_loop_to_list("_struct_asym.", parsed_info) entity_to_mmcif_chains = collections.defaultdict(list) for struct_asym in struct_asyms: chain_id = struct_asym["_struct_asym.id"] entity_id = struct_asym["_struct_asym.entity_id"] entity_to_mmcif_chains[entity_id].append(chain_id) # Identify and return the valid protein chains. valid_chains = {} for entity_id, seq_info in polymers.items(): chain_ids = entity_to_mmcif_chains[entity_id] # Reject polymers without any peptide-like components, such as DNA/RNA. if any( [ "peptide" in chem_comps[monomer.id]["_chem_comp.type"] for monomer in seq_info ] ): for chain_id in chain_ids: valid_chains[chain_id] = seq_info return valid_chains def _is_set(data: str) -> bool: """Returns False if data is a special mmCIF character indicating 'unset'.""" return data not in (".", "?") def get_atom_coords( mmcif_object: MmcifObject, chain_id: str, _zero_center_positions: bool = False ) -> Tuple[np.ndarray, np.ndarray]: # Locate the right chain chains = list(mmcif_object.structure.get_chains()) relevant_chains = [c for c in chains if c.id == chain_id] if len(relevant_chains) != 1: raise MultipleChainsError( f"Expected exactly one chain in structure with id {chain_id}." ) chain = relevant_chains[0] # Extract the coordinates num_res = len(mmcif_object.chain_to_seqres[chain_id]) all_atom_positions = np.zeros( [num_res, residue_constants.atom_type_num, 3], dtype=np.float32 ) all_atom_mask = np.zeros( [num_res, residue_constants.atom_type_num], dtype=np.float32 ) for res_index in range(num_res): pos = np.zeros([residue_constants.atom_type_num, 3], dtype=np.float32) mask = np.zeros([residue_constants.atom_type_num], dtype=np.float32) res_at_position = mmcif_object.seqres_to_structure[chain_id][res_index] if not res_at_position.is_missing: res = chain[ ( res_at_position.hetflag, res_at_position.position.residue_number, res_at_position.position.insertion_code, ) ] for atom in res.get_atoms(): atom_name = atom.get_name() x, y, z = atom.get_coord() if atom_name in residue_constants.atom_order.keys(): pos[residue_constants.atom_order[atom_name]] = [x, y, z] mask[residue_constants.atom_order[atom_name]] = 1.0 elif atom_name.upper() == "SE" and res.get_resname() == "MSE": # Put the coords of the selenium atom in the sulphur column pos[residue_constants.atom_order["SD"]] = [x, y, z] mask[residue_constants.atom_order["SD"]] = 1.0 all_atom_positions[res_index] = pos all_atom_mask[res_index] = mask if _zero_center_positions: binary_mask = all_atom_mask.astype(bool) translation_vec = all_atom_positions[binary_mask].mean(axis=0) all_atom_positions[binary_mask] -= translation_vec return all_atom_positions, all_atom_mask ================================================ FILE: vendor/openfold/openfold/data/parsers.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Functions for parsing various file formats.""" import collections import dataclasses import re import string from typing import Dict, Iterable, List, Optional, Sequence, Tuple DeletionMatrix = Sequence[Sequence[int]] @dataclasses.dataclass(frozen=True) class TemplateHit: """Class representing a template hit.""" index: int name: str aligned_cols: int sum_probs: float query: str hit_sequence: str indices_query: List[int] indices_hit: List[int] def parse_fasta(fasta_string: str) -> Tuple[Sequence[str], Sequence[str]]: """Parses FASTA string and returns list of strings with amino-acid sequences. Arguments: fasta_string: The string contents of a FASTA file. Returns: A tuple of two lists: * A list of sequences. * A list of sequence descriptions taken from the comment lines. In the same order as the sequences. """ sequences = [] descriptions = [] index = -1 for line in fasta_string.splitlines(): line = line.strip() if line.startswith(">"): index += 1 descriptions.append(line[1:]) # Remove the '>' at the beginning. sequences.append("") continue elif line.startswith("#"): continue elif not line: continue # Skip blank lines. sequences[index] += line return sequences, descriptions def parse_stockholm( stockholm_string: str, ) -> Tuple[Sequence[str], DeletionMatrix, Sequence[str]]: """Parses sequences and deletion matrix from stockholm format alignment. Args: stockholm_string: The string contents of a stockholm file. The first sequence in the file should be the query sequence. Returns: A tuple of: * A list of sequences that have been aligned to the query. These might contain duplicates. * The deletion matrix for the alignment as a list of lists. The element at `deletion_matrix[i][j]` is the number of residues deleted from the aligned sequence i at residue position j. * The names of the targets matched, including the jackhmmer subsequence suffix. """ name_to_sequence = collections.OrderedDict() for line in stockholm_string.splitlines(): line = line.strip() if not line or line.startswith(("#", "//")): continue name, sequence = line.split() if name not in name_to_sequence: name_to_sequence[name] = "" name_to_sequence[name] += sequence msa = [] deletion_matrix = [] query = "" keep_columns = [] for seq_index, sequence in enumerate(name_to_sequence.values()): if seq_index == 0: # Gather the columns with gaps from the query query = sequence keep_columns = [i for i, res in enumerate(query) if res != "-"] # Remove the columns with gaps in the query from all sequences. aligned_sequence = "".join([sequence[c] for c in keep_columns]) msa.append(aligned_sequence) # Count the number of deletions w.r.t. query. deletion_vec = [] deletion_count = 0 for seq_res, query_res in zip(sequence, query): if seq_res != "-" or query_res != "-": if query_res == "-": deletion_count += 1 else: deletion_vec.append(deletion_count) deletion_count = 0 deletion_matrix.append(deletion_vec) return msa, deletion_matrix, list(name_to_sequence.keys()) def parse_a3m(a3m_string: str) -> Tuple[Sequence[str], DeletionMatrix]: """Parses sequences and deletion matrix from a3m format alignment. Args: a3m_string: The string contents of a a3m file. The first sequence in the file should be the query sequence. Returns: A tuple of: * A list of sequences that have been aligned to the query. These might contain duplicates. * The deletion matrix for the alignment as a list of lists. The element at `deletion_matrix[i][j]` is the number of residues deleted from the aligned sequence i at residue position j. """ sequences, _ = parse_fasta(a3m_string) deletion_matrix = [] for msa_sequence in sequences: deletion_vec = [] deletion_count = 0 for j in msa_sequence: if j.islower(): deletion_count += 1 else: deletion_vec.append(deletion_count) deletion_count = 0 deletion_matrix.append(deletion_vec) # Make the MSA matrix out of aligned (deletion-free) sequences. deletion_table = str.maketrans("", "", string.ascii_lowercase) aligned_sequences = [s.translate(deletion_table) for s in sequences] return aligned_sequences, deletion_matrix def _convert_sto_seq_to_a3m( query_non_gaps: Sequence[bool], sto_seq: str ) -> Iterable[str]: for is_query_res_non_gap, sequence_res in zip(query_non_gaps, sto_seq): if is_query_res_non_gap: yield sequence_res elif sequence_res != "-": yield sequence_res.lower() def convert_stockholm_to_a3m( stockholm_format: str, max_sequences: Optional[int] = None ) -> str: """Converts MSA in Stockholm format to the A3M format.""" descriptions = {} sequences = {} reached_max_sequences = False for line in stockholm_format.splitlines(): reached_max_sequences = ( max_sequences and len(sequences) >= max_sequences ) if line.strip() and not line.startswith(("#", "//")): # Ignore blank lines, markup and end symbols - remainder are alignment # sequence parts. seqname, aligned_seq = line.split(maxsplit=1) if seqname not in sequences: if reached_max_sequences: continue sequences[seqname] = "" sequences[seqname] += aligned_seq for line in stockholm_format.splitlines(): if line[:4] == "#=GS": # Description row - example format is: # #=GS UniRef90_Q9H5Z4/4-78 DE [subseq from] cDNA: FLJ22755 ... columns = line.split(maxsplit=3) seqname, feature = columns[1:3] value = columns[3] if len(columns) == 4 else "" if feature != "DE": continue if reached_max_sequences and seqname not in sequences: continue descriptions[seqname] = value if len(descriptions) == len(sequences): break # Convert sto format to a3m line by line a3m_sequences = {} # query_sequence is assumed to be the first sequence query_sequence = next(iter(sequences.values())) query_non_gaps = [res != "-" for res in query_sequence] for seqname, sto_sequence in sequences.items(): a3m_sequences[seqname] = "".join( _convert_sto_seq_to_a3m(query_non_gaps, sto_sequence) ) fasta_chunks = ( f">{k} {descriptions.get(k, '')}\n{a3m_sequences[k]}" for k in a3m_sequences ) return "\n".join(fasta_chunks) + "\n" # Include terminating newline. def _get_hhr_line_regex_groups( regex_pattern: str, line: str ) -> Sequence[Optional[str]]: match = re.match(regex_pattern, line) if match is None: raise RuntimeError(f"Could not parse query line {line}") return match.groups() def _update_hhr_residue_indices_list( sequence: str, start_index: int, indices_list: List[int] ): """Computes the relative indices for each residue with respect to the original sequence.""" counter = start_index for symbol in sequence: if symbol == "-": indices_list.append(-1) else: indices_list.append(counter) counter += 1 def _parse_hhr_hit(detailed_lines: Sequence[str]) -> TemplateHit: """Parses the detailed HMM HMM comparison section for a single Hit. This works on .hhr files generated from both HHBlits and HHSearch. Args: detailed_lines: A list of lines from a single comparison section between 2 sequences (which each have their own HMM's) Returns: A dictionary with the information from that detailed comparison section Raises: RuntimeError: If a certain line cannot be processed """ # Parse first 2 lines. number_of_hit = int(detailed_lines[0].split()[-1]) name_hit = detailed_lines[1][1:] # Parse the summary line. pattern = ( "Probab=(.*)[\t ]*E-value=(.*)[\t ]*Score=(.*)[\t ]*Aligned_cols=(.*)[\t" " ]*Identities=(.*)%[\t ]*Similarity=(.*)[\t ]*Sum_probs=(.*)[\t " "]*Template_Neff=(.*)" ) match = re.match(pattern, detailed_lines[2]) if match is None: raise RuntimeError( "Could not parse section: %s. Expected this: \n%s to contain summary." % (detailed_lines, detailed_lines[2]) ) (prob_true, e_value, _, aligned_cols, _, _, sum_probs, neff) = [ float(x) for x in match.groups() ] # The next section reads the detailed comparisons. These are in a 'human # readable' format which has a fixed length. The strategy employed is to # assume that each block starts with the query sequence line, and to parse # that with a regexp in order to deduce the fixed length used for that block. query = "" hit_sequence = "" indices_query = [] indices_hit = [] length_block = None for line in detailed_lines[3:]: # Parse the query sequence line if ( line.startswith("Q ") and not line.startswith("Q ss_dssp") and not line.startswith("Q ss_pred") and not line.startswith("Q Consensus") ): # Thus the first 17 characters must be 'Q ', and we can parse # everything after that. # start sequence end total_sequence_length patt = r"[\t ]*([0-9]*) ([A-Z-]*)[\t ]*([0-9]*) \([0-9]*\)" groups = _get_hhr_line_regex_groups(patt, line[17:]) # Get the length of the parsed block using the start and finish indices, # and ensure it is the same as the actual block length. start = int(groups[0]) - 1 # Make index zero based. delta_query = groups[1] end = int(groups[2]) num_insertions = len([x for x in delta_query if x == "-"]) length_block = end - start + num_insertions assert length_block == len(delta_query) # Update the query sequence and indices list. query += delta_query _update_hhr_residue_indices_list(delta_query, start, indices_query) elif line.startswith("T "): # Parse the hit sequence. if ( not line.startswith("T ss_dssp") and not line.startswith("T ss_pred") and not line.startswith("T Consensus") ): # Thus the first 17 characters must be 'T ', and we can # parse everything after that. # start sequence end total_sequence_length patt = r"[\t ]*([0-9]*) ([A-Z-]*)[\t ]*[0-9]* \([0-9]*\)" groups = _get_hhr_line_regex_groups(patt, line[17:]) start = int(groups[0]) - 1 # Make index zero based. delta_hit_sequence = groups[1] assert length_block == len(delta_hit_sequence) # Update the hit sequence and indices list. hit_sequence += delta_hit_sequence _update_hhr_residue_indices_list( delta_hit_sequence, start, indices_hit ) return TemplateHit( index=number_of_hit, name=name_hit, aligned_cols=int(aligned_cols), sum_probs=sum_probs, query=query, hit_sequence=hit_sequence, indices_query=indices_query, indices_hit=indices_hit, ) def parse_hhr(hhr_string: str) -> Sequence[TemplateHit]: """Parses the content of an entire HHR file.""" lines = hhr_string.splitlines() # Each .hhr file starts with a results table, then has a sequence of hit # "paragraphs", each paragraph starting with a line 'No '. We # iterate through each paragraph to parse each hit. block_starts = [i for i, line in enumerate(lines) if line.startswith("No ")] hits = [] if block_starts: block_starts.append(len(lines)) # Add the end of the final block. for i in range(len(block_starts) - 1): hits.append( _parse_hhr_hit(lines[block_starts[i] : block_starts[i + 1]]) ) return hits def parse_e_values_from_tblout(tblout: str) -> Dict[str, float]: """Parse target to e-value mapping parsed from Jackhmmer tblout string.""" e_values = {"query": 0} lines = [line for line in tblout.splitlines() if line[0] != "#"] # As per http://eddylab.org/software/hmmer/Userguide.pdf fields are # space-delimited. Relevant fields are (1) target name: and # (5) E-value (full sequence) (numbering from 1). for line in lines: fields = line.split() e_value = fields[4] target_name = fields[0] e_values[target_name] = float(e_value) return e_values ================================================ FILE: vendor/openfold/openfold/data/templates.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Functions for getting templates and calculating template features.""" import dataclasses import datetime import glob import json import logging import os import re from typing import Any, Dict, Mapping, Optional, Sequence, Tuple import numpy as np from openfold.data import parsers, mmcif_parsing from openfold.data.errors import Error from openfold.data.tools import kalign from openfold.data.tools.utils import to_date from openfold.np import residue_constants class NoChainsError(Error): """An error indicating that template mmCIF didn't have any chains.""" class SequenceNotInTemplateError(Error): """An error indicating that template mmCIF didn't contain the sequence.""" class NoAtomDataInTemplateError(Error): """An error indicating that template mmCIF didn't contain atom positions.""" class TemplateAtomMaskAllZerosError(Error): """An error indicating that template mmCIF had all atom positions masked.""" class QueryToTemplateAlignError(Error): """An error indicating that the query can't be aligned to the template.""" class CaDistanceError(Error): """An error indicating that a CA atom distance exceeds a threshold.""" # Prefilter exceptions. class PrefilterError(Exception): """A base class for template prefilter exceptions.""" class DateError(PrefilterError): """An error indicating that the hit date was after the max allowed date.""" class PdbIdError(PrefilterError): """An error indicating that the hit PDB ID was identical to the query.""" class AlignRatioError(PrefilterError): """An error indicating that the hit align ratio to the query was too small.""" class DuplicateError(PrefilterError): """An error indicating that the hit was an exact subsequence of the query.""" class LengthError(PrefilterError): """An error indicating that the hit was too short.""" TEMPLATE_FEATURES = { "template_aatype": np.int64, "template_all_atom_mask": np.float32, "template_all_atom_positions": np.float32, "template_domain_names": np.object, "template_sequence": np.object, "template_sum_probs": np.float32, } def _get_pdb_id_and_chain(hit: parsers.TemplateHit) -> Tuple[str, str]: """Returns PDB id and chain id for an HHSearch Hit.""" # PDB ID: 4 letters. Chain ID: 1+ alphanumeric letters or "." if unknown. id_match = re.match(r"[a-zA-Z\d]{4}_[a-zA-Z0-9.]+", hit.name) if not id_match: raise ValueError(f"hit.name did not start with PDBID_chain: {hit.name}") pdb_id, chain_id = id_match.group(0).split("_") return pdb_id.lower(), chain_id def _is_after_cutoff( pdb_id: str, release_dates: Mapping[str, datetime.datetime], release_date_cutoff: Optional[datetime.datetime], ) -> bool: """Checks if the template date is after the release date cutoff. Args: pdb_id: 4 letter pdb code. release_dates: Dictionary mapping PDB ids to their structure release dates. release_date_cutoff: Max release date that is valid for this query. Returns: True if the template release date is after the cutoff, False otherwise. """ pdb_id_upper = pdb_id.upper() if release_date_cutoff is None: raise ValueError("The release_date_cutoff must not be None.") if pdb_id_upper in release_dates: return release_dates[pdb_id_upper] > release_date_cutoff else: # Since this is just a quick prefilter to reduce the number of mmCIF files # we need to parse, we don't have to worry about returning True here. logging.info( "Template structure not in release dates dict: %s", pdb_id ) return False def _replace_obsolete_references(obsolete_mapping) -> Mapping[str, str]: """Generates a new obsolete by tracing all cross-references and store the latest leaf to all referencing nodes""" obsolete_new = {} obsolete_keys = obsolete_mapping.keys() def _new_target(k): v = obsolete_mapping[k] if v in obsolete_keys: return _new_target(v) return v for k in obsolete_keys: obsolete_new[k] = _new_target(k) return obsolete_new def _parse_obsolete(obsolete_file_path: str) -> Mapping[str, str]: """Parses the data file from PDB that lists which PDB ids are obsolete.""" with open(obsolete_file_path) as f: result = {} for line in f: line = line.strip() # We skip obsolete entries that don't contain a mapping to a new entry. if line.startswith("OBSLTE") and len(line) > 30: # Format: Date From To # 'OBSLTE 31-JUL-94 116L 216L' from_id = line[20:24].lower() to_id = line[29:33].lower() result[from_id] = to_id return _replace_obsolete_references(result) def generate_release_dates_cache(mmcif_dir: str, out_path: str): dates = {} for f in os.listdir(mmcif_dir): if f.endswith(".cif"): path = os.path.join(mmcif_dir, f) with open(path, "r") as fp: mmcif_string = fp.read() file_id = os.path.splitext(f)[0] mmcif = mmcif_parsing.parse( file_id=file_id, mmcif_string=mmcif_string ) if mmcif.mmcif_object is None: logging.info(f"Failed to parse {f}. Skipping...") continue mmcif = mmcif.mmcif_object release_date = mmcif.header["release_date"] dates[file_id] = release_date with open(out_path, "r") as fp: fp.write(json.dumps(dates)) def _parse_release_dates(path: str) -> Mapping[str, datetime.datetime]: """Parses release dates file, returns a mapping from PDBs to release dates.""" with open(path, "r") as fp: data = json.load(fp) return { pdb.upper(): to_date(v) for pdb, d in data.items() for k, v in d.items() if k == "release_date" } def _assess_hhsearch_hit( hit: parsers.TemplateHit, hit_pdb_code: str, query_sequence: str, query_pdb_code: Optional[str], release_dates: Mapping[str, datetime.datetime], release_date_cutoff: datetime.datetime, max_subsequence_ratio: float = 0.95, min_align_ratio: float = 0.1, ) -> bool: """Determines if template is valid (without parsing the template mmcif file). Args: hit: HhrHit for the template. hit_pdb_code: The 4 letter pdb code of the template hit. This might be different from the value in the actual hit since the original pdb might have become obsolete. query_sequence: Amino acid sequence of the query. query_pdb_code: 4 letter pdb code of the query. release_dates: Dictionary mapping pdb codes to their structure release dates. release_date_cutoff: Max release date that is valid for this query. max_subsequence_ratio: Exclude any exact matches with this much overlap. min_align_ratio: Minimum overlap between the template and query. Returns: True if the hit passed the prefilter. Raises an exception otherwise. Raises: DateError: If the hit date was after the max allowed date. PdbIdError: If the hit PDB ID was identical to the query. AlignRatioError: If the hit align ratio to the query was too small. DuplicateError: If the hit was an exact subsequence of the query. LengthError: If the hit was too short. """ aligned_cols = hit.aligned_cols align_ratio = aligned_cols / len(query_sequence) template_sequence = hit.hit_sequence.replace("-", "") length_ratio = float(len(template_sequence)) / len(query_sequence) # Check whether the template is a large subsequence or duplicate of original # query. This can happen due to duplicate entries in the PDB database. duplicate = ( template_sequence in query_sequence and length_ratio > max_subsequence_ratio ) if _is_after_cutoff(hit_pdb_code, release_dates, release_date_cutoff): date = release_dates[hit_pdb_code.upper()] raise DateError( f"Date ({date}) > max template date " f"({release_date_cutoff})." ) if query_pdb_code is not None: if query_pdb_code.lower() == hit_pdb_code.lower(): raise PdbIdError("PDB code identical to Query PDB code.") if align_ratio <= min_align_ratio: raise AlignRatioError( "Proportion of residues aligned to query too small. " f"Align ratio: {align_ratio}." ) if duplicate: raise DuplicateError( "Template is an exact subsequence of query with large " f"coverage. Length ratio: {length_ratio}." ) if len(template_sequence) < 10: raise LengthError( f"Template too short. Length: {len(template_sequence)}." ) return True def _find_template_in_pdb( template_chain_id: str, template_sequence: str, mmcif_object: mmcif_parsing.MmcifObject, ) -> Tuple[str, str, int]: """Tries to find the template chain in the given pdb file. This method tries the three following things in order: 1. Tries if there is an exact match in both the chain ID and the sequence. If yes, the chain sequence is returned. Otherwise: 2. Tries if there is an exact match only in the sequence. If yes, the chain sequence is returned. Otherwise: 3. Tries if there is a fuzzy match (X = wildcard) in the sequence. If yes, the chain sequence is returned. If none of these succeed, a SequenceNotInTemplateError is thrown. Args: template_chain_id: The template chain ID. template_sequence: The template chain sequence. mmcif_object: The PDB object to search for the template in. Returns: A tuple with: * The chain sequence that was found to match the template in the PDB object. * The ID of the chain that is being returned. * The offset where the template sequence starts in the chain sequence. Raises: SequenceNotInTemplateError: If no match is found after the steps described above. """ # Try if there is an exact match in both the chain ID and the (sub)sequence. pdb_id = mmcif_object.file_id chain_sequence = mmcif_object.chain_to_seqres.get(template_chain_id) if chain_sequence and (template_sequence in chain_sequence): logging.info( "Found an exact template match %s_%s.", pdb_id, template_chain_id ) mapping_offset = chain_sequence.find(template_sequence) return chain_sequence, template_chain_id, mapping_offset # Try if there is an exact match in the (sub)sequence only. for chain_id, chain_sequence in mmcif_object.chain_to_seqres.items(): if chain_sequence and (template_sequence in chain_sequence): logging.info("Found a sequence-only match %s_%s.", pdb_id, chain_id) mapping_offset = chain_sequence.find(template_sequence) return chain_sequence, chain_id, mapping_offset # Return a chain sequence that fuzzy matches (X = wildcard) the template. # Make parentheses unnamed groups (?:_) to avoid the 100 named groups limit. regex = ["." if aa == "X" else "(?:%s|X)" % aa for aa in template_sequence] regex = re.compile("".join(regex)) for chain_id, chain_sequence in mmcif_object.chain_to_seqres.items(): match = re.search(regex, chain_sequence) if match: logging.info( "Found a fuzzy sequence-only match %s_%s.", pdb_id, chain_id ) mapping_offset = match.start() return chain_sequence, chain_id, mapping_offset # No hits, raise an error. raise SequenceNotInTemplateError( "Could not find the template sequence in %s_%s. Template sequence: %s, " "chain_to_seqres: %s" % ( pdb_id, template_chain_id, template_sequence, mmcif_object.chain_to_seqres, ) ) def _realign_pdb_template_to_query( old_template_sequence: str, template_chain_id: str, mmcif_object: mmcif_parsing.MmcifObject, old_mapping: Mapping[int, int], kalign_binary_path: str, ) -> Tuple[str, Mapping[int, int]]: """Aligns template from the mmcif_object to the query. In case PDB70 contains a different version of the template sequence, we need to perform a realignment to the actual sequence that is in the mmCIF file. This method performs such realignment, but returns the new sequence and mapping only if the sequence in the mmCIF file is 90% identical to the old sequence. Note that the old_template_sequence comes from the hit, and contains only that part of the chain that matches with the query while the new_template_sequence is the full chain. Args: old_template_sequence: The template sequence that was returned by the PDB template search (typically done using HHSearch). template_chain_id: The template chain id was returned by the PDB template search (typically done using HHSearch). This is used to find the right chain in the mmcif_object chain_to_seqres mapping. mmcif_object: A mmcif_object which holds the actual template data. old_mapping: A mapping from the query sequence to the template sequence. This mapping will be used to compute the new mapping from the query sequence to the actual mmcif_object template sequence by aligning the old_template_sequence and the actual template sequence. kalign_binary_path: The path to a kalign executable. Returns: A tuple (new_template_sequence, new_query_to_template_mapping) where: * new_template_sequence is the actual template sequence that was found in the mmcif_object. * new_query_to_template_mapping is the new mapping from the query to the actual template found in the mmcif_object. Raises: QueryToTemplateAlignError: * If there was an error thrown by the alignment tool. * Or if the actual template sequence differs by more than 10% from the old_template_sequence. """ aligner = kalign.Kalign(binary_path=kalign_binary_path) new_template_sequence = mmcif_object.chain_to_seqres.get( template_chain_id, "" ) # Sometimes the template chain id is unknown. But if there is only a single # sequence within the mmcif_object, it is safe to assume it is that one. if not new_template_sequence: if len(mmcif_object.chain_to_seqres) == 1: logging.info( "Could not find %s in %s, but there is only 1 sequence, so " "using that one.", template_chain_id, mmcif_object.file_id, ) new_template_sequence = list(mmcif_object.chain_to_seqres.values())[ 0 ] else: raise QueryToTemplateAlignError( f"Could not find chain {template_chain_id} in {mmcif_object.file_id}. " "If there are no mmCIF parsing errors, it is possible it was not a " "protein chain." ) try: (old_aligned_template, new_aligned_template), _ = parsers.parse_a3m( aligner.align([old_template_sequence, new_template_sequence]) ) except Exception as e: raise QueryToTemplateAlignError( "Could not align old template %s to template %s (%s_%s). Error: %s" % ( old_template_sequence, new_template_sequence, mmcif_object.file_id, template_chain_id, str(e), ) ) logging.info( "Old aligned template: %s\nNew aligned template: %s", old_aligned_template, new_aligned_template, ) old_to_new_template_mapping = {} old_template_index = -1 new_template_index = -1 num_same = 0 for old_template_aa, new_template_aa in zip( old_aligned_template, new_aligned_template ): if old_template_aa != "-": old_template_index += 1 if new_template_aa != "-": new_template_index += 1 if old_template_aa != "-" and new_template_aa != "-": old_to_new_template_mapping[old_template_index] = new_template_index if old_template_aa == new_template_aa: num_same += 1 # Require at least 90 % sequence identity wrt to the shorter of the sequences. if ( float(num_same) / min(len(old_template_sequence), len(new_template_sequence)) < 0.9 ): raise QueryToTemplateAlignError( "Insufficient similarity of the sequence in the database: %s to the " "actual sequence in the mmCIF file %s_%s: %s. We require at least " "90 %% similarity wrt to the shorter of the sequences. This is not a " "problem unless you think this is a template that should be included." % ( old_template_sequence, mmcif_object.file_id, template_chain_id, new_template_sequence, ) ) new_query_to_template_mapping = {} for query_index, old_template_index in old_mapping.items(): new_query_to_template_mapping[ query_index ] = old_to_new_template_mapping.get(old_template_index, -1) new_template_sequence = new_template_sequence.replace("-", "") return new_template_sequence, new_query_to_template_mapping def _check_residue_distances( all_positions: np.ndarray, all_positions_mask: np.ndarray, max_ca_ca_distance: float, ): """Checks if the distance between unmasked neighbor residues is ok.""" ca_position = residue_constants.atom_order["CA"] prev_is_unmasked = False prev_calpha = None for i, (coords, mask) in enumerate(zip(all_positions, all_positions_mask)): this_is_unmasked = bool(mask[ca_position]) if this_is_unmasked: this_calpha = coords[ca_position] if prev_is_unmasked: distance = np.linalg.norm(this_calpha - prev_calpha) if distance > max_ca_ca_distance: raise CaDistanceError( "The distance between residues %d and %d is %f > limit %f." % (i, i + 1, distance, max_ca_ca_distance) ) prev_calpha = this_calpha prev_is_unmasked = this_is_unmasked def _get_atom_positions( mmcif_object: mmcif_parsing.MmcifObject, auth_chain_id: str, max_ca_ca_distance: float, _zero_center_positions: bool = False, ) -> Tuple[np.ndarray, np.ndarray]: """Gets atom positions and mask from a list of Biopython Residues.""" coords_with_mask = mmcif_parsing.get_atom_coords( mmcif_object=mmcif_object, chain_id=auth_chain_id, _zero_center_positions=_zero_center_positions, ) all_atom_positions, all_atom_mask = coords_with_mask _check_residue_distances( all_atom_positions, all_atom_mask, max_ca_ca_distance ) return all_atom_positions, all_atom_mask def _extract_template_features( mmcif_object: mmcif_parsing.MmcifObject, pdb_id: str, mapping: Mapping[int, int], template_sequence: str, query_sequence: str, template_chain_id: str, kalign_binary_path: str, _zero_center_positions: bool = True, ) -> Tuple[Dict[str, Any], Optional[str]]: """Parses atom positions in the target structure and aligns with the query. Atoms for each residue in the template structure are indexed to coincide with their corresponding residue in the query sequence, according to the alignment mapping provided. Args: mmcif_object: mmcif_parsing.MmcifObject representing the template. pdb_id: PDB code for the template. mapping: Dictionary mapping indices in the query sequence to indices in the template sequence. template_sequence: String describing the amino acid sequence for the template protein. query_sequence: String describing the amino acid sequence for the query protein. template_chain_id: String ID describing which chain in the structure proto should be used. kalign_binary_path: The path to a kalign executable used for template realignment. Returns: A tuple with: * A dictionary containing the extra features derived from the template protein structure. * A warning message if the hit was realigned to the actual mmCIF sequence. Otherwise None. Raises: NoChainsError: If the mmcif object doesn't contain any chains. SequenceNotInTemplateError: If the given chain id / sequence can't be found in the mmcif object. QueryToTemplateAlignError: If the actual template in the mmCIF file can't be aligned to the query. NoAtomDataInTemplateError: If the mmcif object doesn't contain atom positions. TemplateAtomMaskAllZerosError: If the mmcif object doesn't have any unmasked residues. """ if mmcif_object is None or not mmcif_object.chain_to_seqres: raise NoChainsError( "No chains in PDB: %s_%s" % (pdb_id, template_chain_id) ) warning = None try: seqres, chain_id, mapping_offset = _find_template_in_pdb( template_chain_id=template_chain_id, template_sequence=template_sequence, mmcif_object=mmcif_object, ) except SequenceNotInTemplateError: # If PDB70 contains a different version of the template, we use the sequence # from the mmcif_object. chain_id = template_chain_id warning = ( f"The exact sequence {template_sequence} was not found in " f"{pdb_id}_{chain_id}. Realigning the template to the actual sequence." ) logging.warning(warning) # This throws an exception if it fails to realign the hit. seqres, mapping = _realign_pdb_template_to_query( old_template_sequence=template_sequence, template_chain_id=template_chain_id, mmcif_object=mmcif_object, old_mapping=mapping, kalign_binary_path=kalign_binary_path, ) logging.info( "Sequence in %s_%s: %s successfully realigned to %s", pdb_id, chain_id, template_sequence, seqres, ) # The template sequence changed. template_sequence = seqres # No mapping offset, the query is aligned to the actual sequence. mapping_offset = 0 try: # Essentially set to infinity - we don't want to reject templates unless # they're really really bad. all_atom_positions, all_atom_mask = _get_atom_positions( mmcif_object, chain_id, max_ca_ca_distance=150.0, _zero_center_positions=_zero_center_positions, ) except (CaDistanceError, KeyError) as ex: raise NoAtomDataInTemplateError( "Could not get atom data (%s_%s): %s" % (pdb_id, chain_id, str(ex)) ) from ex all_atom_positions = np.split( all_atom_positions, all_atom_positions.shape[0] ) all_atom_masks = np.split(all_atom_mask, all_atom_mask.shape[0]) output_templates_sequence = [] templates_all_atom_positions = [] templates_all_atom_masks = [] for _ in query_sequence: # Residues in the query_sequence that are not in the template_sequence: templates_all_atom_positions.append( np.zeros((residue_constants.atom_type_num, 3)) ) templates_all_atom_masks.append( np.zeros(residue_constants.atom_type_num) ) output_templates_sequence.append("-") for k, v in mapping.items(): template_index = v + mapping_offset templates_all_atom_positions[k] = all_atom_positions[template_index][0] templates_all_atom_masks[k] = all_atom_masks[template_index][0] output_templates_sequence[k] = template_sequence[v] # Alanine (AA with the lowest number of atoms) has 5 atoms (C, CA, CB, N, O). if np.sum(templates_all_atom_masks) < 5: raise TemplateAtomMaskAllZerosError( "Template all atom mask was all zeros: %s_%s. Residue range: %d-%d" % ( pdb_id, chain_id, min(mapping.values()) + mapping_offset, max(mapping.values()) + mapping_offset, ) ) output_templates_sequence = "".join(output_templates_sequence) templates_aatype = residue_constants.sequence_to_onehot( output_templates_sequence, residue_constants.HHBLITS_AA_TO_ID ) return ( { "template_all_atom_positions": np.array( templates_all_atom_positions ), "template_all_atom_mask": np.array(templates_all_atom_masks), "template_sequence": output_templates_sequence.encode(), "template_aatype": np.array(templates_aatype), "template_domain_names": f"{pdb_id.lower()}_{chain_id}".encode(), }, warning, ) def _build_query_to_hit_index_mapping( hit_query_sequence: str, hit_sequence: str, indices_hit: Sequence[int], indices_query: Sequence[int], original_query_sequence: str, ) -> Mapping[int, int]: """Gets mapping from indices in original query sequence to indices in the hit. hit_query_sequence and hit_sequence are two aligned sequences containing gap characters. hit_query_sequence contains only the part of the original query sequence that matched the hit. When interpreting the indices from the .hhr, we need to correct for this to recover a mapping from original query sequence to the hit sequence. Args: hit_query_sequence: The portion of the query sequence that is in the .hhr hit hit_sequence: The portion of the hit sequence that is in the .hhr indices_hit: The indices for each aminoacid relative to the hit sequence indices_query: The indices for each aminoacid relative to the original query sequence original_query_sequence: String describing the original query sequence. Returns: Dictionary with indices in the original query sequence as keys and indices in the hit sequence as values. """ # If the hit is empty (no aligned residues), return empty mapping if not hit_query_sequence: return {} # Remove gaps and find the offset of hit.query relative to original query. hhsearch_query_sequence = hit_query_sequence.replace("-", "") hit_sequence = hit_sequence.replace("-", "") hhsearch_query_offset = original_query_sequence.find( hhsearch_query_sequence ) # Index of -1 used for gap characters. Subtract the min index ignoring gaps. min_idx = min(x for x in indices_hit if x > -1) fixed_indices_hit = [x - min_idx if x > -1 else -1 for x in indices_hit] min_idx = min(x for x in indices_query if x > -1) fixed_indices_query = [x - min_idx if x > -1 else -1 for x in indices_query] # Zip the corrected indices, ignore case where both seqs have gap characters. mapping = {} for q_i, q_t in zip(fixed_indices_query, fixed_indices_hit): if q_t != -1 and q_i != -1: if q_t >= len(hit_sequence) or q_i + hhsearch_query_offset >= len( original_query_sequence ): continue mapping[q_i + hhsearch_query_offset] = q_t return mapping @dataclasses.dataclass(frozen=True) class PrefilterResult: valid: bool error: Optional[str] warning: Optional[str] @dataclasses.dataclass(frozen=True) class SingleHitResult: features: Optional[Mapping[str, Any]] error: Optional[str] warning: Optional[str] def _prefilter_hit( query_sequence: str, query_pdb_code: Optional[str], hit: parsers.TemplateHit, max_template_date: datetime.datetime, release_dates: Mapping[str, datetime.datetime], obsolete_pdbs: Mapping[str, str], strict_error_check: bool = False, ): # Fail hard if we can't get the PDB ID and chain name from the hit. hit_pdb_code, hit_chain_id = _get_pdb_id_and_chain(hit) if hit_pdb_code not in release_dates: if hit_pdb_code in obsolete_pdbs: hit_pdb_code = obsolete_pdbs[hit_pdb_code] # Pass hit_pdb_code since it might have changed due to the pdb being # obsolete. try: _assess_hhsearch_hit( hit=hit, hit_pdb_code=hit_pdb_code, query_sequence=query_sequence, query_pdb_code=query_pdb_code, release_dates=release_dates, release_date_cutoff=max_template_date, ) except PrefilterError as e: hit_name = f"{hit_pdb_code}_{hit_chain_id}" msg = f"hit {hit_name} did not pass prefilter: {str(e)}" logging.info("%s: %s", query_pdb_code, msg) if strict_error_check and isinstance( e, (DateError, PdbIdError, DuplicateError) ): # In strict mode we treat some prefilter cases as errors. return PrefilterResult(valid=False, error=msg, warning=None) return PrefilterResult(valid=False, error=None, warning=None) return PrefilterResult(valid=True, error=None, warning=None) def _process_single_hit( query_sequence: str, query_pdb_code: Optional[str], hit: parsers.TemplateHit, mmcif_dir: str, max_template_date: datetime.datetime, release_dates: Mapping[str, datetime.datetime], obsolete_pdbs: Mapping[str, str], kalign_binary_path: str, strict_error_check: bool = False, _zero_center_positions: bool = True, ) -> SingleHitResult: """Tries to extract template features from a single HHSearch hit.""" # Fail hard if we can't get the PDB ID and chain name from the hit. hit_pdb_code, hit_chain_id = _get_pdb_id_and_chain(hit) if hit_pdb_code not in release_dates: if hit_pdb_code in obsolete_pdbs: hit_pdb_code = obsolete_pdbs[hit_pdb_code] mapping = _build_query_to_hit_index_mapping( hit.query, hit.hit_sequence, hit.indices_hit, hit.indices_query, query_sequence, ) # The mapping is from the query to the actual hit sequence, so we need to # remove gaps (which regardless have a missing confidence score). template_sequence = hit.hit_sequence.replace("-", "") cif_path = os.path.join(mmcif_dir, hit_pdb_code + ".cif") logging.info( "Reading PDB entry from %s. Query: %s, template: %s", cif_path, query_sequence, template_sequence, ) # Fail if we can't find the mmCIF file. with open(cif_path, "r") as cif_file: cif_string = cif_file.read() parsing_result = mmcif_parsing.parse( file_id=hit_pdb_code, mmcif_string=cif_string ) if parsing_result.mmcif_object is not None: hit_release_date = datetime.datetime.strptime( parsing_result.mmcif_object.header["release_date"], "%Y-%m-%d" ) if hit_release_date > max_template_date: error = "Template %s date (%s) > max template date (%s)." % ( hit_pdb_code, hit_release_date, max_template_date, ) if strict_error_check: return SingleHitResult(features=None, error=error, warning=None) else: logging.info(error) return SingleHitResult(features=None, error=None, warning=None) try: features, realign_warning = _extract_template_features( mmcif_object=parsing_result.mmcif_object, pdb_id=hit_pdb_code, mapping=mapping, template_sequence=template_sequence, query_sequence=query_sequence, template_chain_id=hit_chain_id, kalign_binary_path=kalign_binary_path, _zero_center_positions=_zero_center_positions, ) features["template_sum_probs"] = [hit.sum_probs] # It is possible there were some errors when parsing the other chains in the # mmCIF file, but the template features for the chain we want were still # computed. In such case the mmCIF parsing errors are not relevant. return SingleHitResult( features=features, error=None, warning=realign_warning ) except ( NoChainsError, NoAtomDataInTemplateError, TemplateAtomMaskAllZerosError, ) as e: # These 3 errors indicate missing mmCIF experimental data rather than a # problem with the template search, so turn them into warnings. warning = ( "%s_%s (sum_probs: %.2f, rank: %d): feature extracting errors: " "%s, mmCIF parsing errors: %s" % ( hit_pdb_code, hit_chain_id, hit.sum_probs, hit.index, str(e), parsing_result.errors, ) ) if strict_error_check: return SingleHitResult(features=None, error=warning, warning=None) else: return SingleHitResult(features=None, error=None, warning=warning) except Error as e: error = ( "%s_%s (sum_probs: %.2f, rank: %d): feature extracting errors: " "%s, mmCIF parsing errors: %s" % ( hit_pdb_code, hit_chain_id, hit.sum_probs, hit.index, str(e), parsing_result.errors, ) ) return SingleHitResult(features=None, error=error, warning=None) def get_custom_template_features( mmcif_path: str, query_sequence: str, pdb_id: str, chain_id: str, kalign_binary_path: str): with open(mmcif_path, "r") as mmcif_path: cif_string = mmcif_path.read() mmcif_parse_result = mmcif_parsing.parse( file_id=pdb_id, mmcif_string=cif_string ) template_sequence = mmcif_parse_result.mmcif_object.chain_to_seqres[chain_id] mapping = {x:x for x, _ in enumerate(query_sequence)} features, warnings = _extract_template_features( mmcif_object=mmcif_parse_result.mmcif_object, pdb_id=pdb_id, mapping=mapping, template_sequence=template_sequence, query_sequence=query_sequence, template_chain_id=chain_id, kalign_binary_path=kalign_binary_path, _zero_center_positions=True ) features["template_sum_probs"] = [1.0] # TODO: clean up this logic template_features = {} for template_feature_name in TEMPLATE_FEATURES: template_features[template_feature_name] = [] for k in template_features: template_features[k].append(features[k]) for name in template_features: template_features[name] = np.stack( template_features[name], axis=0 ).astype(TEMPLATE_FEATURES[name]) return TemplateSearchResult( features=template_features, errors=None, warnings=warnings ) @dataclasses.dataclass(frozen=True) class TemplateSearchResult: features: Mapping[str, Any] errors: Sequence[str] warnings: Sequence[str] class TemplateHitFeaturizer: """A class for turning hhr hits to template features.""" def __init__( self, mmcif_dir: str, max_template_date: str, max_hits: int, kalign_binary_path: str, release_dates_path: Optional[str] = None, obsolete_pdbs_path: Optional[str] = None, strict_error_check: bool = False, _shuffle_top_k_prefiltered: Optional[int] = None, _zero_center_positions: bool = True, ): """Initializes the Template Search. Args: mmcif_dir: Path to a directory with mmCIF structures. Once a template ID is found by HHSearch, this directory is used to retrieve the template data. max_template_date: The maximum date permitted for template structures. No template with date higher than this date will be returned. In ISO8601 date format, YYYY-MM-DD. max_hits: The maximum number of templates that will be returned. kalign_binary_path: The path to a kalign executable used for template realignment. release_dates_path: An optional path to a file with a mapping from PDB IDs to their release dates. Thanks to this we don't have to redundantly parse mmCIF files to get that information. obsolete_pdbs_path: An optional path to a file containing a mapping from obsolete PDB IDs to the PDB IDs of their replacements. strict_error_check: If True, then the following will be treated as errors: * If any template date is after the max_template_date. * If any template has identical PDB ID to the query. * If any template is a duplicate of the query. * Any feature computation errors. """ self._mmcif_dir = mmcif_dir if not glob.glob(os.path.join(self._mmcif_dir, "*.cif")): logging.error("Could not find CIFs in %s", self._mmcif_dir) raise ValueError(f"Could not find CIFs in {self._mmcif_dir}") try: self._max_template_date = datetime.datetime.strptime( max_template_date, "%Y-%m-%d" ) except ValueError: raise ValueError( "max_template_date must be set and have format YYYY-MM-DD." ) self.max_hits = max_hits self._kalign_binary_path = kalign_binary_path self._strict_error_check = strict_error_check if release_dates_path: logging.info( "Using precomputed release dates %s.", release_dates_path ) self._release_dates = _parse_release_dates(release_dates_path) else: self._release_dates = {} if obsolete_pdbs_path: logging.info( "Using precomputed obsolete pdbs %s.", obsolete_pdbs_path ) self._obsolete_pdbs = _parse_obsolete(obsolete_pdbs_path) else: self._obsolete_pdbs = {} self._shuffle_top_k_prefiltered = _shuffle_top_k_prefiltered self._zero_center_positions = _zero_center_positions def get_templates( self, query_sequence: str, query_pdb_code: Optional[str], query_release_date: Optional[datetime.datetime], hits: Sequence[parsers.TemplateHit], ) -> TemplateSearchResult: """Computes the templates for given query sequence (more details above).""" logging.info("Searching for template for: %s", query_pdb_code) template_features = {} for template_feature_name in TEMPLATE_FEATURES: template_features[template_feature_name] = [] # Always use a max_template_date. Set to query_release_date minus 60 days # if that's earlier. template_cutoff_date = self._max_template_date if query_release_date: delta = datetime.timedelta(days=60) if query_release_date - delta < template_cutoff_date: template_cutoff_date = query_release_date - delta assert template_cutoff_date < query_release_date assert template_cutoff_date <= self._max_template_date num_hits = 0 errors = [] warnings = [] filtered = [] for hit in hits: prefilter_result = _prefilter_hit( query_sequence=query_sequence, query_pdb_code=query_pdb_code, hit=hit, max_template_date=template_cutoff_date, release_dates=self._release_dates, obsolete_pdbs=self._obsolete_pdbs, strict_error_check=self._strict_error_check, ) if prefilter_result.error: errors.append(prefilter_result.error) if prefilter_result.warning: warnings.append(prefilter_result.warning) if prefilter_result.valid: filtered.append(hit) filtered = list( sorted(filtered, key=lambda x: x.sum_probs, reverse=True) ) idx = list(range(len(filtered))) if(self._shuffle_top_k_prefiltered): stk = self._shuffle_top_k_prefiltered idx[:stk] = np.random.permutation(idx[:stk]) for i in idx: # We got all the templates we wanted, stop processing hits. if num_hits >= self.max_hits: break hit = filtered[i] result = _process_single_hit( query_sequence=query_sequence, query_pdb_code=query_pdb_code, hit=hit, mmcif_dir=self._mmcif_dir, max_template_date=template_cutoff_date, release_dates=self._release_dates, obsolete_pdbs=self._obsolete_pdbs, strict_error_check=self._strict_error_check, kalign_binary_path=self._kalign_binary_path, _zero_center_positions=self._zero_center_positions, ) if result.error: errors.append(result.error) # There could be an error even if there are some results, e.g. thrown by # other unparsable chains in the same mmCIF file. if result.warning: warnings.append(result.warning) if result.features is None: logging.info( "Skipped invalid hit %s, error: %s, warning: %s", hit.name, result.error, result.warning, ) else: # Increment the hit counter, since we got features out of this hit. num_hits += 1 for k in template_features: template_features[k].append(result.features[k]) for name in template_features: if num_hits > 0: template_features[name] = np.stack( template_features[name], axis=0 ).astype(TEMPLATE_FEATURES[name]) else: # Make sure the feature has correct dtype even if empty. template_features[name] = np.array( [], dtype=TEMPLATE_FEATURES[name] ) return TemplateSearchResult( features=template_features, errors=errors, warnings=warnings ) ================================================ FILE: vendor/openfold/openfold/data/tools/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/data/tools/hhblits.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Library to run HHblits from Python.""" import glob import logging import os import subprocess from typing import Any, Mapping, Optional, Sequence from openfold.data.tools import utils _HHBLITS_DEFAULT_P = 20 _HHBLITS_DEFAULT_Z = 500 class HHBlits: """Python wrapper of the HHblits binary.""" def __init__( self, *, binary_path: str, databases: Sequence[str], n_cpu: int = 4, n_iter: int = 3, e_value: float = 0.001, maxseq: int = 1_000_000, realign_max: int = 100_000, maxfilt: int = 100_000, min_prefilter_hits: int = 1000, all_seqs: bool = False, alt: Optional[int] = None, p: int = _HHBLITS_DEFAULT_P, z: int = _HHBLITS_DEFAULT_Z, ): """Initializes the Python HHblits wrapper. Args: binary_path: The path to the HHblits executable. databases: A sequence of HHblits database paths. This should be the common prefix for the database files (i.e. up to but not including _hhm.ffindex etc.) n_cpu: The number of CPUs to give HHblits. n_iter: The number of HHblits iterations. e_value: The E-value, see HHblits docs for more details. maxseq: The maximum number of rows in an input alignment. Note that this parameter is only supported in HHBlits version 3.1 and higher. realign_max: Max number of HMM-HMM hits to realign. HHblits default: 500. maxfilt: Max number of hits allowed to pass the 2nd prefilter. HHblits default: 20000. min_prefilter_hits: Min number of hits to pass prefilter. HHblits default: 100. all_seqs: Return all sequences in the MSA / Do not filter the result MSA. HHblits default: False. alt: Show up to this many alternative alignments. p: Minimum Prob for a hit to be included in the output hhr file. HHblits default: 20. z: Hard cap on number of hits reported in the hhr file. HHblits default: 500. NB: The relevant HHblits flag is -Z not -z. Raises: RuntimeError: If HHblits binary not found within the path. """ self.binary_path = binary_path self.databases = databases for database_path in self.databases: if not glob.glob(database_path + "_*"): logging.error( "Could not find HHBlits database %s", database_path ) raise ValueError( f"Could not find HHBlits database {database_path}" ) self.n_cpu = n_cpu self.n_iter = n_iter self.e_value = e_value self.maxseq = maxseq self.realign_max = realign_max self.maxfilt = maxfilt self.min_prefilter_hits = min_prefilter_hits self.all_seqs = all_seqs self.alt = alt self.p = p self.z = z def query(self, input_fasta_path: str) -> Mapping[str, Any]: """Queries the database using HHblits.""" with utils.tmpdir_manager(base_dir="/tmp") as query_tmp_dir: a3m_path = os.path.join(query_tmp_dir, "output.a3m") db_cmd = [] for db_path in self.databases: db_cmd.append("-d") db_cmd.append(db_path) cmd = [ self.binary_path, "-i", input_fasta_path, "-cpu", str(self.n_cpu), "-oa3m", a3m_path, "-o", "/dev/null", "-n", str(self.n_iter), "-e", str(self.e_value), "-maxseq", str(self.maxseq), "-realign_max", str(self.realign_max), "-maxfilt", str(self.maxfilt), "-min_prefilter_hits", str(self.min_prefilter_hits), ] if self.all_seqs: cmd += ["-all"] if self.alt: cmd += ["-alt", str(self.alt)] if self.p != _HHBLITS_DEFAULT_P: cmd += ["-p", str(self.p)] if self.z != _HHBLITS_DEFAULT_Z: cmd += ["-Z", str(self.z)] cmd += db_cmd logging.info('Launching subprocess "%s"', " ".join(cmd)) process = subprocess.Popen( cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) with utils.timing("HHblits query"): stdout, stderr = process.communicate() retcode = process.wait() if retcode: # Logs have a 15k character limit, so log HHblits error line by line. logging.error("HHblits failed. HHblits stderr begin:") for error_line in stderr.decode("utf-8").splitlines(): if error_line.strip(): logging.error(error_line.strip()) logging.error("HHblits stderr end") raise RuntimeError( "HHblits failed\nstdout:\n%s\n\nstderr:\n%s\n" % (stdout.decode("utf-8"), stderr[:500_000].decode("utf-8")) ) with open(a3m_path) as f: a3m = f.read() raw_output = dict( a3m=a3m, output=stdout, stderr=stderr, n_iter=self.n_iter, e_value=self.e_value, ) return raw_output ================================================ FILE: vendor/openfold/openfold/data/tools/hhsearch.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Library to run HHsearch from Python.""" import glob import logging import os import subprocess from typing import Sequence from openfold.data.tools import utils class HHSearch: """Python wrapper of the HHsearch binary.""" def __init__( self, *, binary_path: str, databases: Sequence[str], n_cpu: int = 2, maxseq: int = 1_000_000, ): """Initializes the Python HHsearch wrapper. Args: binary_path: The path to the HHsearch executable. databases: A sequence of HHsearch database paths. This should be the common prefix for the database files (i.e. up to but not including _hhm.ffindex etc.) n_cpu: The number of CPUs to use maxseq: The maximum number of rows in an input alignment. Note that this parameter is only supported in HHBlits version 3.1 and higher. Raises: RuntimeError: If HHsearch binary not found within the path. """ self.binary_path = binary_path self.databases = databases self.n_cpu = n_cpu self.maxseq = maxseq for database_path in self.databases: if not glob.glob(database_path + "_*"): logging.error( "Could not find HHsearch database %s", database_path ) raise ValueError( f"Could not find HHsearch database {database_path}" ) def query(self, a3m: str) -> str: """Queries the database using HHsearch using a given a3m.""" with utils.tmpdir_manager(base_dir="/tmp") as query_tmp_dir: input_path = os.path.join(query_tmp_dir, "query.a3m") hhr_path = os.path.join(query_tmp_dir, "output.hhr") with open(input_path, "w") as f: f.write(a3m) db_cmd = [] for db_path in self.databases: db_cmd.append("-d") db_cmd.append(db_path) cmd = [ self.binary_path, "-i", input_path, "-o", hhr_path, "-maxseq", str(self.maxseq), "-cpu", str(self.n_cpu), ] + db_cmd logging.info('Launching subprocess "%s"', " ".join(cmd)) process = subprocess.Popen( cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) with utils.timing("HHsearch query"): stdout, stderr = process.communicate() retcode = process.wait() if retcode: # Stderr is truncated to prevent proto size errors in Beam. raise RuntimeError( "HHSearch failed:\nstdout:\n%s\n\nstderr:\n%s\n" % (stdout.decode("utf-8"), stderr[:100_000].decode("utf-8")) ) with open(hhr_path) as f: hhr = f.read() return hhr ================================================ FILE: vendor/openfold/openfold/data/tools/jackhmmer.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Library to run Jackhmmer from Python.""" from concurrent import futures import glob import logging import os import subprocess from typing import Any, Callable, Mapping, Optional, Sequence from urllib import request from openfold.data.tools import utils class Jackhmmer: """Python wrapper of the Jackhmmer binary.""" def __init__( self, *, binary_path: str, database_path: str, n_cpu: int = 8, n_iter: int = 1, e_value: float = 0.0001, z_value: Optional[int] = None, get_tblout: bool = False, filter_f1: float = 0.0005, filter_f2: float = 0.00005, filter_f3: float = 0.0000005, incdom_e: Optional[float] = None, dom_e: Optional[float] = None, num_streamed_chunks: Optional[int] = None, streaming_callback: Optional[Callable[[int], None]] = None, ): """Initializes the Python Jackhmmer wrapper. Args: binary_path: The path to the jackhmmer executable. database_path: The path to the jackhmmer database (FASTA format). n_cpu: The number of CPUs to give Jackhmmer. n_iter: The number of Jackhmmer iterations. e_value: The E-value, see Jackhmmer docs for more details. z_value: The Z-value, see Jackhmmer docs for more details. get_tblout: Whether to save tblout string. filter_f1: MSV and biased composition pre-filter, set to >1.0 to turn off. filter_f2: Viterbi pre-filter, set to >1.0 to turn off. filter_f3: Forward pre-filter, set to >1.0 to turn off. incdom_e: Domain e-value criteria for inclusion of domains in MSA/next round. dom_e: Domain e-value criteria for inclusion in tblout. num_streamed_chunks: Number of database chunks to stream over. streaming_callback: Callback function run after each chunk iteration with the iteration number as argument. """ self.binary_path = binary_path self.database_path = database_path self.num_streamed_chunks = num_streamed_chunks if ( not os.path.exists(self.database_path) and num_streamed_chunks is None ): logging.error("Could not find Jackhmmer database %s", database_path) raise ValueError( f"Could not find Jackhmmer database {database_path}" ) self.n_cpu = n_cpu self.n_iter = n_iter self.e_value = e_value self.z_value = z_value self.filter_f1 = filter_f1 self.filter_f2 = filter_f2 self.filter_f3 = filter_f3 self.incdom_e = incdom_e self.dom_e = dom_e self.get_tblout = get_tblout self.streaming_callback = streaming_callback def _query_chunk( self, input_fasta_path: str, database_path: str ) -> Mapping[str, Any]: """Queries the database chunk using Jackhmmer.""" with utils.tmpdir_manager(base_dir="/tmp") as query_tmp_dir: sto_path = os.path.join(query_tmp_dir, "output.sto") # The F1/F2/F3 are the expected proportion to pass each of the filtering # stages (which get progressively more expensive), reducing these # speeds up the pipeline at the expensive of sensitivity. They are # currently set very low to make querying Mgnify run in a reasonable # amount of time. cmd_flags = [ # Don't pollute stdout with Jackhmmer output. "-o", "/dev/null", "-A", sto_path, "--noali", "--F1", str(self.filter_f1), "--F2", str(self.filter_f2), "--F3", str(self.filter_f3), "--incE", str(self.e_value), # Report only sequences with E-values <= x in per-sequence output. "-E", str(self.e_value), "--cpu", str(self.n_cpu), "-N", str(self.n_iter), ] if self.get_tblout: tblout_path = os.path.join(query_tmp_dir, "tblout.txt") cmd_flags.extend(["--tblout", tblout_path]) if self.z_value: cmd_flags.extend(["-Z", str(self.z_value)]) if self.dom_e is not None: cmd_flags.extend(["--domE", str(self.dom_e)]) if self.incdom_e is not None: cmd_flags.extend(["--incdomE", str(self.incdom_e)]) cmd = ( [self.binary_path] + cmd_flags + [input_fasta_path, database_path] ) logging.info('Launching subprocess "%s"', " ".join(cmd)) process = subprocess.Popen( cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) with utils.timing( f"Jackhmmer ({os.path.basename(database_path)}) query" ): _, stderr = process.communicate() retcode = process.wait() if retcode: raise RuntimeError( "Jackhmmer failed\nstderr:\n%s\n" % stderr.decode("utf-8") ) # Get e-values for each target name tbl = "" if self.get_tblout: with open(tblout_path) as f: tbl = f.read() with open(sto_path) as f: sto = f.read() raw_output = dict( sto=sto, tbl=tbl, stderr=stderr, n_iter=self.n_iter, e_value=self.e_value, ) return raw_output def query(self, input_fasta_path: str) -> Sequence[Mapping[str, Any]]: """Queries the database using Jackhmmer.""" if self.num_streamed_chunks is None: return [self._query_chunk(input_fasta_path, self.database_path)] db_basename = os.path.basename(self.database_path) db_remote_chunk = lambda db_idx: f"{self.database_path}.{db_idx}" db_local_chunk = lambda db_idx: f"/tmp/ramdisk/{db_basename}.{db_idx}" # Remove existing files to prevent OOM for f in glob.glob(db_local_chunk("[0-9]*")): try: os.remove(f) except OSError: print(f"OSError while deleting {f}") # Download the (i+1)-th chunk while Jackhmmer is running on the i-th chunk with futures.ThreadPoolExecutor(max_workers=2) as executor: chunked_output = [] for i in range(1, self.num_streamed_chunks + 1): # Copy the chunk locally if i == 1: future = executor.submit( request.urlretrieve, db_remote_chunk(i), db_local_chunk(i), ) if i < self.num_streamed_chunks: next_future = executor.submit( request.urlretrieve, db_remote_chunk(i + 1), db_local_chunk(i + 1), ) # Run Jackhmmer with the chunk future.result() chunked_output.append( self._query_chunk(input_fasta_path, db_local_chunk(i)) ) # Remove the local copy of the chunk os.remove(db_local_chunk(i)) future = next_future if self.streaming_callback: self.streaming_callback(i) return chunked_output ================================================ FILE: vendor/openfold/openfold/data/tools/kalign.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """A Python wrapper for Kalign.""" import os import subprocess from typing import Sequence from absl import logging from openfold.data.tools import utils def _to_a3m(sequences: Sequence[str]) -> str: """Converts sequences to an a3m file.""" names = ["sequence %d" % i for i in range(1, len(sequences) + 1)] a3m = [] for sequence, name in zip(sequences, names): a3m.append(u">" + name + u"\n") a3m.append(sequence + u"\n") return "".join(a3m) class Kalign: """Python wrapper of the Kalign binary.""" def __init__(self, *, binary_path: str): """Initializes the Python Kalign wrapper. Args: binary_path: The path to the Kalign binary. Raises: RuntimeError: If Kalign binary not found within the path. """ self.binary_path = binary_path def align(self, sequences: Sequence[str]) -> str: """Aligns the sequences and returns the alignment in A3M string. Args: sequences: A list of query sequence strings. The sequences have to be at least 6 residues long (Kalign requires this). Note that the order in which you give the sequences might alter the output slightly as different alignment tree might get constructed. Returns: A string with the alignment in a3m format. Raises: RuntimeError: If Kalign fails. ValueError: If any of the sequences is less than 6 residues long. """ logging.info("Aligning %d sequences", len(sequences)) for s in sequences: if len(s) < 6: raise ValueError( "Kalign requires all sequences to be at least 6 " "residues long. Got %s (%d residues)." % (s, len(s)) ) with utils.tmpdir_manager(base_dir="/tmp") as query_tmp_dir: input_fasta_path = os.path.join(query_tmp_dir, "input.fasta") output_a3m_path = os.path.join(query_tmp_dir, "output.a3m") with open(input_fasta_path, "w") as f: f.write(_to_a3m(sequences)) cmd = [ self.binary_path, "-i", input_fasta_path, "-o", output_a3m_path, "-format", "fasta", ] logging.info('Launching subprocess "%s"', " ".join(cmd)) process = subprocess.Popen( cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) with utils.timing("Kalign query"): stdout, stderr = process.communicate() retcode = process.wait() logging.info( "Kalign stdout:\n%s\n\nstderr:\n%s\n", stdout.decode("utf-8"), stderr.decode("utf-8"), ) if retcode: raise RuntimeError( "Kalign failed\nstdout:\n%s\n\nstderr:\n%s\n" % (stdout.decode("utf-8"), stderr.decode("utf-8")) ) with open(output_a3m_path) as f: a3m = f.read() return a3m ================================================ FILE: vendor/openfold/openfold/data/tools/utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Common utilities for data pipeline tools.""" import contextlib import datetime import logging import shutil import tempfile import time from typing import Optional @contextlib.contextmanager def tmpdir_manager(base_dir: Optional[str] = None): """Context manager that deletes a temporary directory on exit.""" tmpdir = tempfile.mkdtemp(dir=base_dir) try: yield tmpdir finally: shutil.rmtree(tmpdir, ignore_errors=True) @contextlib.contextmanager def timing(msg: str): logging.info("Started %s", msg) tic = time.perf_counter() yield toc = time.perf_counter() logging.info("Finished %s in %.3f seconds", msg, toc - tic) def to_date(s: str): return datetime.datetime( year=int(s[:4]), month=int(s[5:7]), day=int(s[8:10]) ) ================================================ FILE: vendor/openfold/openfold/model/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/model/dropout.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import torch.nn as nn from functools import partialmethod from typing import Union, List class Dropout(nn.Module): """ Implementation of dropout with the ability to share the dropout mask along a particular dimension. If not in training mode, this module computes the identity function. """ def __init__(self, r: float, batch_dim: Union[int, List[int]]): """ Args: r: Dropout rate batch_dim: Dimension(s) along which the dropout mask is shared """ super(Dropout, self).__init__() self.r = r if type(batch_dim) == int: batch_dim = [batch_dim] self.batch_dim = batch_dim self.dropout = nn.Dropout(self.r) def forward(self, x: torch.Tensor) -> torch.Tensor: """ Args: x: Tensor to which dropout is applied. Can have any shape compatible with self.batch_dim """ shape = list(x.shape) if self.batch_dim is not None: for bd in self.batch_dim: shape[bd] = 1 mask = x.new_ones(shape) mask = self.dropout(mask) x *= mask return x class DropoutRowwise(Dropout): """ Convenience class for rowwise dropout as described in subsection 1.11.6. """ __init__ = partialmethod(Dropout.__init__, batch_dim=-3) class DropoutColumnwise(Dropout): """ Convenience class for columnwise dropout as described in subsection 1.11.6. """ __init__ = partialmethod(Dropout.__init__, batch_dim=-2) ================================================ FILE: vendor/openfold/openfold/model/embedders.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import torch.nn as nn from typing import Tuple, Optional from openfold.model.primitives import Linear, LayerNorm from openfold.utils.tensor_utils import add, one_hot class InputEmbedder(nn.Module): """ Embeds a subset of the input features. Implements Algorithms 3 (InputEmbedder) and 4 (relpos). """ def __init__( self, tf_dim: int, msa_dim: int, c_z: int, c_m: int, relpos_k: int, **kwargs, ): """ Args: tf_dim: Final dimension of the target features msa_dim: Final dimension of the MSA features c_z: Pair embedding dimension c_m: MSA embedding dimension relpos_k: Window size used in relative positional encoding """ super(InputEmbedder, self).__init__() self.tf_dim = tf_dim self.msa_dim = msa_dim self.c_z = c_z self.c_m = c_m self.linear_tf_z_i = Linear(tf_dim, c_z) self.linear_tf_z_j = Linear(tf_dim, c_z) self.linear_tf_m = Linear(tf_dim, c_m) self.linear_msa_m = Linear(msa_dim, c_m) # RPE stuff self.relpos_k = relpos_k self.no_bins = 2 * relpos_k + 1 self.linear_relpos = Linear(self.no_bins, c_z) def relpos(self, ri: torch.Tensor): """ Computes relative positional encodings Implements Algorithm 4. Args: ri: "residue_index" features of shape [*, N] """ d = ri[..., None] - ri[..., None, :] boundaries = torch.arange( start=-self.relpos_k, end=self.relpos_k + 1, device=d.device ) reshaped_bins = boundaries.view(((1,) * len(d.shape)) + (len(boundaries),)) d = d[..., None] - reshaped_bins d = torch.abs(d) d = torch.argmin(d, dim=-1) d = nn.functional.one_hot(d, num_classes=len(boundaries)).float() d = d.to(ri.dtype) return self.linear_relpos(d) def forward( self, tf: torch.Tensor, ri: torch.Tensor, msa: torch.Tensor, inplace_safe: bool = False, ) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: tf: "target_feat" features of shape [*, N_res, tf_dim] ri: "residue_index" features of shape [*, N_res] msa: "msa_feat" features of shape [*, N_clust, N_res, msa_dim] Returns: msa_emb: [*, N_clust, N_res, C_m] MSA embedding pair_emb: [*, N_res, N_res, C_z] pair embedding """ # [*, N_res, c_z] tf_emb_i = self.linear_tf_z_i(tf) tf_emb_j = self.linear_tf_z_j(tf) # [*, N_res, N_res, c_z] pair_emb = self.relpos(ri.type(tf_emb_i.dtype)) pair_emb = add(pair_emb, tf_emb_i[..., None, :], inplace=inplace_safe ) pair_emb = add(pair_emb, tf_emb_j[..., None, :, :], inplace=inplace_safe ) # [*, N_clust, N_res, c_m] n_clust = msa.shape[-3] tf_m = ( self.linear_tf_m(tf) .unsqueeze(-3) .expand(((-1,) * len(tf.shape[:-2]) + (n_clust, -1, -1))) ) msa_emb = self.linear_msa_m(msa) + tf_m return msa_emb, pair_emb class PreembeddingEmbedder(nn.Module): """ Embeds the sequence pre-embedding passed to the model and the target_feat features. """ def __init__( self, tf_dim: int, preembedding_dim: int, c_z: int, c_m: int, relpos_k: int, **kwargs, ): """ Args: tf_dim: End channel dimension of the incoming target features preembedding_dim: End channel dimension of the incoming embeddings c_z: Pair embedding dimension c_m: Single-Seq embedding dimension relpos_k: Window size used in relative position encoding """ super(PreembeddingEmbedder, self).__init__() self.tf_dim = tf_dim self.preembedding_dim = preembedding_dim self.c_z = c_z self.c_m = c_m self.linear_tf_m = Linear(tf_dim, c_m) self.linear_preemb_m = Linear(self.preembedding_dim, c_m) self.linear_preemb_z_i = Linear(self.preembedding_dim, c_z) self.linear_preemb_z_j = Linear(self.preembedding_dim, c_z) # Relative Positional Encoding self.relpos_k = relpos_k self.no_bins = 2 * relpos_k + 1 self.linear_relpos = Linear(self.no_bins, c_z) def relpos(self, ri: torch.Tensor): """ Computes relative positional encodings Args: ri: "residue_index" feature of shape [*, N] Returns: Relative positional encoding of protein using the residue_index feature """ d = ri[..., None] - ri[..., None, :] boundaries = torch.arange( start=-self.relpos_k, end=self.relpos_k + 1, device=d.device ) reshaped_bins = boundaries.view(((1,) * len(d.shape)) + (len(boundaries),)) d = d[..., None] - reshaped_bins d = torch.abs(d) d = torch.argmin(d, dim=-1) d = nn.functional.one_hot(d, num_classes=len(boundaries)).float() d = d.to(ri.dtype) return self.linear_relpos(d) def forward( self, tf: torch.Tensor, ri: torch.Tensor, preemb: torch.Tensor, inplace_safe: bool = False, ) -> Tuple[torch.Tensor, torch.Tensor]: tf_m = ( self.linear_tf_m(tf) .unsqueeze(-3) ) preemb_emb = self.linear_preemb_m(preemb[..., None, :, :]) + tf_m preemb_emb_i = self.linear_preemb_z_i(preemb) preemb_emb_j = self.linear_preemb_z_j(preemb) pair_emb = self.relpos(ri.type(preemb_emb_i.dtype)) pair_emb = add(pair_emb, preemb_emb_i[..., None, :], inplace=inplace_safe) pair_emb = add(pair_emb, preemb_emb_j[..., None, :, :], inplace=inplace_safe) return preemb_emb, pair_emb class RecyclingEmbedder(nn.Module): """ Embeds the output of an iteration of the model for recycling. Implements Algorithm 32. """ def __init__( self, c_m: int, c_z: int, min_bin: float, max_bin: float, no_bins: int, inf: float = 1e8, **kwargs, ): """ Args: c_m: MSA channel dimension c_z: Pair embedding channel dimension min_bin: Smallest distogram bin (Angstroms) max_bin: Largest distogram bin (Angstroms) no_bins: Number of distogram bins """ super(RecyclingEmbedder, self).__init__() self.c_m = c_m self.c_z = c_z self.min_bin = min_bin self.max_bin = max_bin self.no_bins = no_bins self.inf = inf self.linear = Linear(self.no_bins, self.c_z) self.layer_norm_m = LayerNorm(self.c_m) self.layer_norm_z = LayerNorm(self.c_z) def forward( self, m: torch.Tensor, z: torch.Tensor, x: torch.Tensor, inplace_safe: bool = False, ) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: m: First row of the MSA embedding. [*, N_res, C_m] z: [*, N_res, N_res, C_z] pair embedding x: [*, N_res, 3] predicted C_beta coordinates Returns: m: [*, N_res, C_m] MSA embedding update z: [*, N_res, N_res, C_z] pair embedding update """ # [*, N, C_m] m_update = self.layer_norm_m(m) if(inplace_safe): m.copy_(m_update) m_update = m # [*, N, N, C_z] z_update = self.layer_norm_z(z) if(inplace_safe): z.copy_(z_update) z_update = z # This squared method might become problematic in FP16 mode. bins = torch.linspace( self.min_bin, self.max_bin, self.no_bins, dtype=x.dtype, device=x.device, requires_grad=False, ) squared_bins = bins ** 2 upper = torch.cat( [squared_bins[1:], squared_bins.new_tensor([self.inf])], dim=-1 ) d = torch.sum( (x[..., None, :] - x[..., None, :, :]) ** 2, dim=-1, keepdims=True ) # [*, N, N, no_bins] d = ((d > squared_bins) * (d < upper)).type(x.dtype) # [*, N, N, C_z] d = self.linear(d) z_update = add(z_update, d, inplace_safe) return m_update, z_update class TemplateAngleEmbedder(nn.Module): """ Embeds the "template_angle_feat" feature. Implements Algorithm 2, line 7. """ def __init__( self, c_in: int, c_out: int, **kwargs, ): """ Args: c_in: Final dimension of "template_angle_feat" c_out: Output channel dimension """ super(TemplateAngleEmbedder, self).__init__() self.c_out = c_out self.c_in = c_in self.linear_1 = Linear(self.c_in, self.c_out, init="relu") self.relu = nn.ReLU() self.linear_2 = Linear(self.c_out, self.c_out, init="relu") def forward(self, x: torch.Tensor) -> torch.Tensor: """ Args: x: [*, N_templ, N_res, c_in] "template_angle_feat" features Returns: x: [*, N_templ, N_res, C_out] embedding """ x = self.linear_1(x) x = self.relu(x) x = self.linear_2(x) return x class TemplatePairEmbedder(nn.Module): """ Embeds "template_pair_feat" features. Implements Algorithm 2, line 9. """ def __init__( self, c_in: int, c_out: int, **kwargs, ): """ Args: c_in: c_out: Output channel dimension """ super(TemplatePairEmbedder, self).__init__() self.c_in = c_in self.c_out = c_out # Despite there being no relu nearby, the source uses that initializer self.linear = Linear(self.c_in, self.c_out, init="relu") def forward( self, x: torch.Tensor, ) -> torch.Tensor: """ Args: x: [*, C_in] input tensor Returns: [*, C_out] output tensor """ x = self.linear(x) return x class ExtraMSAEmbedder(nn.Module): """ Embeds unclustered MSA sequences. Implements Algorithm 2, line 15 """ def __init__( self, c_in: int, c_out: int, **kwargs, ): """ Args: c_in: Input channel dimension c_out: Output channel dimension """ super(ExtraMSAEmbedder, self).__init__() self.c_in = c_in self.c_out = c_out self.linear = Linear(self.c_in, self.c_out) def forward(self, x: torch.Tensor) -> torch.Tensor: """ Args: x: [*, N_extra_seq, N_res, C_in] "extra_msa_feat" features Returns: [*, N_extra_seq, N_res, C_out] embedding """ x = self.linear(x) return x ================================================ FILE: vendor/openfold/openfold/model/evoformer.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import math import sys import torch import torch.nn as nn from typing import Tuple, Sequence, Optional from functools import partial from openfold.model.primitives import Linear, LayerNorm from openfold.model.dropout import DropoutRowwise, DropoutColumnwise from openfold.model.msa import ( MSARowAttentionWithPairBias, MSAColumnAttention, MSAColumnGlobalAttention, ) from openfold.model.outer_product_mean import OuterProductMean from openfold.model.pair_transition import PairTransition from openfold.model.triangular_attention import ( TriangleAttention, TriangleAttentionStartingNode, TriangleAttentionEndingNode, ) from openfold.model.triangular_multiplicative_update import ( TriangleMultiplicationOutgoing, TriangleMultiplicationIncoming, ) from openfold.utils.checkpointing import checkpoint_blocks, get_checkpoint_fn from openfold.utils.chunk_utils import chunk_layer, ChunkSizeTuner from openfold.utils.tensor_utils import add class MSATransition(nn.Module): """ Feed-forward network applied to MSA activations after attention. Implements Algorithm 9 """ def __init__(self, c_m, n): """ Args: c_m: MSA channel dimension n: Factor multiplied to c_m to obtain the hidden channel dimension """ super(MSATransition, self).__init__() self.c_m = c_m self.n = n self.layer_norm = LayerNorm(self.c_m) self.linear_1 = Linear(self.c_m, self.n * self.c_m, init="relu") self.relu = nn.ReLU() self.linear_2 = Linear(self.n * self.c_m, self.c_m, init="final") def _transition(self, m, mask): m = self.layer_norm(m) m = self.linear_1(m) m = self.relu(m) m = self.linear_2(m) * mask return m @torch.jit.ignore def _chunk(self, m: torch.Tensor, mask: torch.Tensor, chunk_size: int, ) -> torch.Tensor: return chunk_layer( self._transition, {"m": m, "mask": mask}, chunk_size=chunk_size, no_batch_dims=len(m.shape[:-2]), ) def forward( self, m: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, ) -> torch.Tensor: """ Args: m: [*, N_seq, N_res, C_m] MSA activation mask: [*, N_seq, N_res, C_m] MSA mask Returns: m: [*, N_seq, N_res, C_m] MSA activation update """ # DISCREPANCY: DeepMind forgets to apply the MSA mask here. if mask is None: mask = m.new_ones(m.shape[:-1]) mask = mask.unsqueeze(-1) if chunk_size is not None: m = self._chunk(m, mask, chunk_size) else: m = self._transition(m, mask) return m class EvoformerBlockCore(nn.Module): def __init__( self, c_m: int, c_z: int, c_hidden_opm: int, c_hidden_mul: int, c_hidden_pair_att: int, no_heads_msa: int, no_heads_pair: int, transition_n: int, pair_dropout: float, inf: float, eps: float, _is_extra_msa_stack: bool = False, ): super(EvoformerBlockCore, self).__init__() self.msa_transition = MSATransition( c_m=c_m, n=transition_n, ) self.outer_product_mean = OuterProductMean( c_m, c_z, c_hidden_opm, ) self.tri_mul_out = TriangleMultiplicationOutgoing( c_z, c_hidden_mul, ) self.tri_mul_in = TriangleMultiplicationIncoming( c_z, c_hidden_mul, ) self.tri_att_start = TriangleAttention( c_z, c_hidden_pair_att, no_heads_pair, inf=inf, ) self.tri_att_end = TriangleAttention( c_z, c_hidden_pair_att, no_heads_pair, inf=inf, ) self.pair_transition = PairTransition( c_z, transition_n, ) self.ps_dropout_row_layer = DropoutRowwise(pair_dropout) def forward(self, input_tensors: Sequence[torch.Tensor], msa_mask: torch.Tensor, pair_mask: torch.Tensor, chunk_size: Optional[int] = None, use_lma: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, _attn_chunk_size: Optional[int] = None, _offload_inference: bool = False, ) -> Tuple[torch.Tensor, torch.Tensor]: # DeepMind doesn't mask these transitions in the source, so _mask_trans # should be disabled to better approximate the exact activations of # the original. msa_trans_mask = msa_mask if _mask_trans else None pair_trans_mask = pair_mask if _mask_trans else None if(_attn_chunk_size is None): _attn_chunk_size = chunk_size m, z = input_tensors m = add( m, self.msa_transition( m, mask=msa_trans_mask, chunk_size=chunk_size, ), inplace=inplace_safe, ) if(_offload_inference and inplace_safe): del m, z assert(sys.getrefcount(input_tensors[1]) == 2) input_tensors[1] = input_tensors[1].cpu() torch.cuda.empty_cache() m, z = input_tensors opm = self.outer_product_mean( m, mask=msa_mask, chunk_size=chunk_size, inplace_safe=inplace_safe ) if(_offload_inference and inplace_safe): del m, z assert(sys.getrefcount(input_tensors[0]) == 2) input_tensors[0] = input_tensors[0].cpu() input_tensors[1] = input_tensors[1].to(opm.device) m, z = input_tensors z = add(z, opm, inplace=inplace_safe) del opm tmu_update = self.tri_mul_out( z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=True, ) if(not inplace_safe): z = z + self.ps_dropout_row_layer(tmu_update) else: z = tmu_update del tmu_update tmu_update = self.tri_mul_in( z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=True, ) if(not inplace_safe): z = z + self.ps_dropout_row_layer(tmu_update) else: z = tmu_update del tmu_update z = add(z, self.ps_dropout_row_layer( self.tri_att_start( z, mask=pair_mask, chunk_size=_attn_chunk_size, use_memory_efficient_kernel=False, use_lma=use_lma, inplace_safe=inplace_safe, ) ), inplace=inplace_safe, ) z = z.transpose(-2, -3) if(inplace_safe): input_tensors[1] = z.contiguous() z = input_tensors[1] z = add(z, self.ps_dropout_row_layer( self.tri_att_end( z, mask=pair_mask.transpose(-1, -2), chunk_size=_attn_chunk_size, use_memory_efficient_kernel=False, use_lma=use_lma, inplace_safe=inplace_safe, ) ), inplace=inplace_safe, ) z = z.transpose(-2, -3) if(inplace_safe): input_tensors[1] = z.contiguous() z = input_tensors[1] z = add(z, self.pair_transition( z, mask=pair_trans_mask, chunk_size=chunk_size, ), inplace=inplace_safe, ) if(_offload_inference and inplace_safe): device = z.device del m, z assert(sys.getrefcount(input_tensors[0]) == 2) assert(sys.getrefcount(input_tensors[1]) == 2) input_tensors[0] = input_tensors[0].to(device) input_tensors[1] = input_tensors[1].to(device) m, z = input_tensors return m, z class EvoformerBlock(nn.Module): def __init__(self, c_m: int, c_z: int, c_hidden_msa_att: int, c_hidden_opm: int, c_hidden_mul: int, c_hidden_pair_att: int, no_heads_msa: int, no_heads_pair: int, transition_n: int, msa_dropout: float, pair_dropout: float, no_column_attention: bool, inf: float, eps: float, ): super(EvoformerBlock, self).__init__() self.msa_att_row = MSARowAttentionWithPairBias( c_m=c_m, c_z=c_z, c_hidden=c_hidden_msa_att, no_heads=no_heads_msa, inf=inf, ) # Specifically, seqemb mode does not use column attention self.no_column_attention = no_column_attention if self.no_column_attention == False: self.msa_att_col = MSAColumnAttention( c_m, c_hidden_msa_att, no_heads_msa, inf=inf, ) self.msa_dropout_layer = DropoutRowwise(msa_dropout) self.core = EvoformerBlockCore( c_m=c_m, c_z=c_z, c_hidden_opm=c_hidden_opm, c_hidden_mul=c_hidden_mul, c_hidden_pair_att=c_hidden_pair_att, no_heads_msa=no_heads_msa, no_heads_pair=no_heads_pair, transition_n=transition_n, pair_dropout=pair_dropout, inf=inf, eps=eps, ) def forward(self, m: Optional[torch.Tensor], z: Optional[torch.Tensor], msa_mask: torch.Tensor, pair_mask: torch.Tensor, chunk_size: Optional[int] = None, use_lma: bool = False, use_flash: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, _attn_chunk_size: Optional[int] = None, _offload_inference: bool = False, _offloadable_inputs: Optional[Sequence[torch.Tensor]] = None, ) -> Tuple[torch.Tensor, torch.Tensor]: if(_attn_chunk_size is None): _attn_chunk_size = chunk_size if(_offload_inference and inplace_safe): input_tensors = _offloadable_inputs del _offloadable_inputs else: input_tensors = [m, z] m, z = input_tensors m = add(m, self.msa_dropout_layer( self.msa_att_row( m, z=z, mask=msa_mask, chunk_size=_attn_chunk_size, use_memory_efficient_kernel=False, use_lma=use_lma, ) ), inplace=inplace_safe, ) # Specifically, column attention is not used in seqemb mode. if self.no_column_attention == False: m = add(m, self.msa_att_col( m, mask=msa_mask, chunk_size=chunk_size, use_lma=use_lma, use_flash=use_flash, ), inplace=inplace_safe, ) if(not inplace_safe): input_tensors = [m, input_tensors[1]] del m, z m, z = self.core( input_tensors, msa_mask=msa_mask, pair_mask=pair_mask, chunk_size=chunk_size, use_lma=use_lma, inplace_safe=inplace_safe, _mask_trans=_mask_trans, _attn_chunk_size=_attn_chunk_size, _offload_inference=_offload_inference, ) return m, z class ExtraMSABlock(nn.Module): """ Almost identical to the standard EvoformerBlock, except in that the ExtraMSABlock uses GlobalAttention for MSA column attention and requires more fine-grained control over checkpointing. Separated from its twin to preserve the TorchScript-ability of the latter. """ def __init__(self, c_m: int, c_z: int, c_hidden_msa_att: int, c_hidden_opm: int, c_hidden_mul: int, c_hidden_pair_att: int, no_heads_msa: int, no_heads_pair: int, transition_n: int, msa_dropout: float, pair_dropout: float, inf: float, eps: float, ckpt: bool, ): super(ExtraMSABlock, self).__init__() self.ckpt = ckpt self.msa_att_row = MSARowAttentionWithPairBias( c_m=c_m, c_z=c_z, c_hidden=c_hidden_msa_att, no_heads=no_heads_msa, inf=inf, ) self.msa_att_col = MSAColumnGlobalAttention( c_in=c_m, c_hidden=c_hidden_msa_att, no_heads=no_heads_msa, inf=inf, eps=eps, ) self.msa_dropout_layer = DropoutRowwise(msa_dropout) self.core = EvoformerBlockCore( c_m=c_m, c_z=c_z, c_hidden_opm=c_hidden_opm, c_hidden_mul=c_hidden_mul, c_hidden_pair_att=c_hidden_pair_att, no_heads_msa=no_heads_msa, no_heads_pair=no_heads_pair, transition_n=transition_n, pair_dropout=pair_dropout, inf=inf, eps=eps, ) def forward(self, m: Optional[torch.Tensor], z: Optional[torch.Tensor], msa_mask: torch.Tensor, pair_mask: torch.Tensor, chunk_size: Optional[int] = None, use_lma: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, _attn_chunk_size: Optional[int] = None, _offload_inference: bool = False, _offloadable_inputs: Optional[Sequence[torch.Tensor]] = None, ) -> Tuple[torch.Tensor, torch.Tensor]: if(_attn_chunk_size is None): _attn_chunk_size = chunk_size if(_offload_inference and inplace_safe): input_tensors = _offloadable_inputs del _offloadable_inputs else: input_tensors = [m, z] m, z = input_tensors m = add(m, self.msa_dropout_layer( self.msa_att_row( m.clone() if torch.is_grad_enabled() else m, z=z.clone() if torch.is_grad_enabled() else z, mask=msa_mask, chunk_size=_attn_chunk_size, use_lma=use_lma, use_memory_efficient_kernel=not use_lma, _checkpoint_chunks= self.ckpt if torch.is_grad_enabled() else False, ) ), inplace=inplace_safe, ) if(not inplace_safe): input_tensors = [m, z] del m, z def fn(input_tensors): m = add(input_tensors[0], self.msa_att_col( input_tensors[0], mask=msa_mask, chunk_size=chunk_size, use_lma=use_lma, ), inplace=inplace_safe, ) if(not inplace_safe): input_tensors = [m, input_tensors[1]] del m m, z = self.core( input_tensors, msa_mask=msa_mask, pair_mask=pair_mask, chunk_size=chunk_size, use_lma=use_lma, inplace_safe=inplace_safe, _mask_trans=_mask_trans, _attn_chunk_size=_attn_chunk_size, _offload_inference=_offload_inference, ) return m, z if(torch.is_grad_enabled() and self.ckpt): checkpoint_fn = get_checkpoint_fn() m, z = checkpoint_fn(fn, input_tensors) else: m, z = fn(input_tensors) return m, z class EvoformerStack(nn.Module): """ Main Evoformer trunk. Implements Algorithm 6. """ def __init__( self, c_m: int, c_z: int, c_hidden_msa_att: int, c_hidden_opm: int, c_hidden_mul: int, c_hidden_pair_att: int, c_s: int, no_heads_msa: int, no_heads_pair: int, no_blocks: int, transition_n: int, msa_dropout: float, pair_dropout: float, blocks_per_ckpt: int, no_column_attention: bool, inf: float, eps: float, clear_cache_between_blocks: bool = False, tune_chunk_size: bool = False, **kwargs, ): """ Args: c_m: MSA channel dimension c_z: Pair channel dimension c_hidden_msa_att: Hidden dimension in MSA attention c_hidden_opm: Hidden dimension in outer product mean module c_hidden_mul: Hidden dimension in multiplicative updates c_hidden_pair_att: Hidden dimension in triangular attention c_s: Channel dimension of the output "single" embedding no_heads_msa: Number of heads used for MSA attention no_heads_pair: Number of heads used for pair attention no_blocks: Number of Evoformer blocks in the stack transition_n: Factor by which to multiply c_m to obtain the MSATransition hidden dimension msa_dropout: Dropout rate for MSA activations pair_dropout: Dropout used for pair activations blocks_per_ckpt: Number of Evoformer blocks in each activation checkpoint no_column_attention: When True, doesn't use column attention. Required for running sequence embedding mode clear_cache_between_blocks: Whether to clear CUDA's GPU memory cache between blocks of the stack. Slows down each block but can reduce fragmentation tune_chunk_size: Whether to dynamically tune the module's chunk size """ super(EvoformerStack, self).__init__() self.blocks_per_ckpt = blocks_per_ckpt self.clear_cache_between_blocks = clear_cache_between_blocks self.blocks = nn.ModuleList() for _ in range(no_blocks): block = EvoformerBlock( c_m=c_m, c_z=c_z, c_hidden_msa_att=c_hidden_msa_att, c_hidden_opm=c_hidden_opm, c_hidden_mul=c_hidden_mul, c_hidden_pair_att=c_hidden_pair_att, no_heads_msa=no_heads_msa, no_heads_pair=no_heads_pair, transition_n=transition_n, msa_dropout=msa_dropout, pair_dropout=pair_dropout, no_column_attention=no_column_attention, inf=inf, eps=eps, ) self.blocks.append(block) self.linear = Linear(c_m, c_s) self.tune_chunk_size = tune_chunk_size self.chunk_size_tuner = None if(tune_chunk_size): self.chunk_size_tuner = ChunkSizeTuner() def _prep_blocks(self, m: torch.Tensor, z: torch.Tensor, chunk_size: int, use_lma: bool, use_flash: bool, msa_mask: Optional[torch.Tensor], pair_mask: Optional[torch.Tensor], inplace_safe: bool, _mask_trans: bool, ): blocks = [ partial( b, msa_mask=msa_mask, pair_mask=pair_mask, chunk_size=chunk_size, use_lma=use_lma, use_flash=use_flash, inplace_safe=inplace_safe, _mask_trans=_mask_trans, ) for b in self.blocks ] if(self.clear_cache_between_blocks): def block_with_cache_clear(block, *args, **kwargs): torch.cuda.empty_cache() return block(*args, **kwargs) blocks = [partial(block_with_cache_clear, b) for b in blocks] if(chunk_size is not None and self.chunk_size_tuner is not None): assert(not self.training) tuned_chunk_size = self.chunk_size_tuner.tune_chunk_size( representative_fn=blocks[0], # We don't want to write in-place during chunk tuning runs args=(m.clone(), z.clone(),), min_chunk_size=chunk_size, ) blocks = [ partial(b, chunk_size=tuned_chunk_size, # A temporary measure to address torch's occasional # inability to allocate large tensors _attn_chunk_size=max(chunk_size, tuned_chunk_size // 4), ) for b in blocks ] return blocks def _forward_offload(self, input_tensors: Sequence[torch.Tensor], msa_mask: torch.Tensor, pair_mask: torch.Tensor, chunk_size: int, use_lma: bool = False, use_flash: bool = False, _mask_trans: bool = True, ) -> Tuple[torch.Tensor, torch.Tensor, torch.Tensor]: assert(not (self.training or torch.is_grad_enabled())) blocks = self._prep_blocks( # We are very careful not to create references to these tensors in # this function m=input_tensors[0], z=input_tensors[1], chunk_size=chunk_size, use_lma=use_lma, use_flash=use_flash, msa_mask=msa_mask, pair_mask=pair_mask, inplace_safe=True, _mask_trans=_mask_trans, ) for b in blocks: m, z = b( None, None, _offload_inference=True, _offloadable_inputs=input_tensors, ) input_tensors[0] = m input_tensors[1] = z del m, z m, z = input_tensors s = self.linear(m[..., 0, :, :]) return m, z, s def forward(self, m: torch.Tensor, z: torch.Tensor, msa_mask: torch.Tensor, pair_mask: torch.Tensor, chunk_size: int, use_lma: bool = False, use_flash: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, ) -> Tuple[torch.Tensor, torch.Tensor, torch.Tensor]: """ Args: m: [*, N_seq, N_res, C_m] MSA embedding z: [*, N_res, N_res, C_z] pair embedding msa_mask: [*, N_seq, N_res] MSA mask pair_mask: [*, N_res, N_res] pair mask chunk_size: Inference-time subbatch size. Acts as a minimum if self.tune_chunk_size is True use_lma: Whether to use low-memory attention during inference use_flash: Whether to use FlashAttention where possible. Mutually exclusive with use_lma. Returns: m: [*, N_seq, N_res, C_m] MSA embedding z: [*, N_res, N_res, C_z] pair embedding s: [*, N_res, C_s] single embedding (or None if extra MSA stack) """ blocks = self._prep_blocks( m=m, z=z, chunk_size=chunk_size, use_lma=use_lma, use_flash=use_flash, msa_mask=msa_mask, pair_mask=pair_mask, inplace_safe=inplace_safe, _mask_trans=_mask_trans, ) blocks_per_ckpt = self.blocks_per_ckpt if(not torch.is_grad_enabled()): blocks_per_ckpt = None m, z = checkpoint_blocks( blocks, args=(m, z), blocks_per_ckpt=blocks_per_ckpt, ) s = self.linear(m[..., 0, :, :]) return m, z, s class ExtraMSAStack(nn.Module): """ Implements Algorithm 18. """ def __init__(self, c_m: int, c_z: int, c_hidden_msa_att: int, c_hidden_opm: int, c_hidden_mul: int, c_hidden_pair_att: int, no_heads_msa: int, no_heads_pair: int, no_blocks: int, transition_n: int, msa_dropout: float, pair_dropout: float, inf: float, eps: float, ckpt: bool, clear_cache_between_blocks: bool = False, tune_chunk_size: bool = False, **kwargs, ): super(ExtraMSAStack, self).__init__() self.ckpt = ckpt self.clear_cache_between_blocks = clear_cache_between_blocks self.blocks = nn.ModuleList() for _ in range(no_blocks): block = ExtraMSABlock( c_m=c_m, c_z=c_z, c_hidden_msa_att=c_hidden_msa_att, c_hidden_opm=c_hidden_opm, c_hidden_mul=c_hidden_mul, c_hidden_pair_att=c_hidden_pair_att, no_heads_msa=no_heads_msa, no_heads_pair=no_heads_pair, transition_n=transition_n, msa_dropout=msa_dropout, pair_dropout=pair_dropout, inf=inf, eps=eps, ckpt=False, ) self.blocks.append(block) self.tune_chunk_size = tune_chunk_size self.chunk_size_tuner = None if(tune_chunk_size): self.chunk_size_tuner = ChunkSizeTuner() def _prep_blocks(self, m: torch.Tensor, z: torch.Tensor, chunk_size: int, use_lma: bool, msa_mask: Optional[torch.Tensor], pair_mask: Optional[torch.Tensor], inplace_safe: bool, _mask_trans: bool, ): blocks = [ partial( b, msa_mask=msa_mask, pair_mask=pair_mask, chunk_size=chunk_size, use_lma=use_lma, inplace_safe=inplace_safe, _mask_trans=_mask_trans, ) for b in self.blocks ] def clear_cache(b, *args, **kwargs): torch.cuda.empty_cache() return b(*args, **kwargs) if(self.clear_cache_between_blocks): blocks = [partial(clear_cache, b) for b in blocks] if(chunk_size is not None and self.chunk_size_tuner is not None): tuned_chunk_size = self.chunk_size_tuner.tune_chunk_size( representative_fn=blocks[0], # Tensors cloned to avoid getting written to in-place # A corollary is that chunk size tuning should be disabled for # large N, when z gets really big args=(m.clone(), z.clone(),), min_chunk_size=chunk_size, ) blocks = [ partial(b, chunk_size=tuned_chunk_size, # A temporary measure to address torch's occasional # inability to allocate large tensors _attn_chunk_size=max(chunk_size, tuned_chunk_size // 4), ) for b in blocks ] return blocks def _forward_offload(self, input_tensors: Sequence[torch.Tensor], chunk_size: int, use_lma: bool = False, msa_mask: Optional[torch.Tensor] = None, pair_mask: Optional[torch.Tensor] = None, _mask_trans: bool = True, ) -> torch.Tensor: assert(not (self.training or torch.is_grad_enabled())) blocks = self._prep_blocks( # We are very careful not to create references to these tensors in # this function m=input_tensors[0], z=input_tensors[1], chunk_size=chunk_size, use_lma=use_lma, msa_mask=msa_mask, pair_mask=pair_mask, inplace_safe=True, _mask_trans=_mask_trans, ) for b in blocks: m, z = b( None, None, _offload_inference=True, _offloadable_inputs=input_tensors, ) input_tensors[0] = m input_tensors[1] = z del m, z return input_tensors[1] def forward(self, m: torch.Tensor, z: torch.Tensor, msa_mask: Optional[torch.Tensor], pair_mask: Optional[torch.Tensor], chunk_size: int, use_lma: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, ) -> torch.Tensor: """ Args: m: [*, N_extra, N_res, C_m] extra MSA embedding z: [*, N_res, N_res, C_z] pair embedding chunk_size: Inference-time subbatch size for Evoformer modules use_lma: Whether to use low-memory attention during inference msa_mask: Optional [*, N_extra, N_res] MSA mask pair_mask: Optional [*, N_res, N_res] pair mask Returns: [*, N_res, N_res, C_z] pair update """ checkpoint_fn = get_checkpoint_fn() blocks = self._prep_blocks( m=m, z=z, chunk_size=chunk_size, use_lma=use_lma, msa_mask=msa_mask, pair_mask=pair_mask, inplace_safe=inplace_safe, _mask_trans=_mask_trans, ) for b in blocks: if(self.ckpt and torch.is_grad_enabled()): m, z = checkpoint_fn(b, m, z) else: m, z = b(m, z) return z ================================================ FILE: vendor/openfold/openfold/model/heads.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import torch.nn as nn from openfold.model.primitives import Linear, LayerNorm from openfold.utils.loss import ( compute_plddt, compute_tm, compute_predicted_aligned_error, ) from openfold.utils.precision_utils import is_fp16_enabled class AuxiliaryHeads(nn.Module): def __init__(self, config): super(AuxiliaryHeads, self).__init__() self.plddt = PerResidueLDDTCaPredictor( **config["lddt"], ) self.distogram = DistogramHead( **config["distogram"], ) self.masked_msa = MaskedMSAHead( **config["masked_msa"], ) self.experimentally_resolved = ExperimentallyResolvedHead( **config["experimentally_resolved"], ) if config.tm.enabled: self.tm = TMScoreHead( **config.tm, ) self.config = config def forward(self, outputs): aux_out = {} lddt_logits = self.plddt(outputs["sm"]["single"]) aux_out["lddt_logits"] = lddt_logits # Required for relaxation later on aux_out["plddt"] = compute_plddt(lddt_logits) distogram_logits = self.distogram(outputs["pair"]) aux_out["distogram_logits"] = distogram_logits masked_msa_logits = self.masked_msa(outputs["msa"]) aux_out["masked_msa_logits"] = masked_msa_logits experimentally_resolved_logits = self.experimentally_resolved( outputs["single"] ) aux_out[ "experimentally_resolved_logits" ] = experimentally_resolved_logits if self.config.tm.enabled: tm_logits = self.tm(outputs["pair"]) aux_out["tm_logits"] = tm_logits aux_out["predicted_tm_score"] = compute_tm( tm_logits, **self.config.tm ) aux_out.update( compute_predicted_aligned_error( tm_logits, **self.config.tm, ) ) return aux_out class PerResidueLDDTCaPredictor(nn.Module): def __init__(self, no_bins, c_in, c_hidden): super(PerResidueLDDTCaPredictor, self).__init__() self.no_bins = no_bins self.c_in = c_in self.c_hidden = c_hidden self.layer_norm = LayerNorm(self.c_in) self.linear_1 = Linear(self.c_in, self.c_hidden, init="relu") self.linear_2 = Linear(self.c_hidden, self.c_hidden, init="relu") self.linear_3 = Linear(self.c_hidden, self.no_bins, init="final") self.relu = nn.ReLU() def forward(self, s): s = self.layer_norm(s) s = self.linear_1(s) s = self.relu(s) s = self.linear_2(s) s = self.relu(s) s = self.linear_3(s) return s class DistogramHead(nn.Module): """ Computes a distogram probability distribution. For use in computation of distogram loss, subsection 1.9.8 """ def __init__(self, c_z, no_bins, **kwargs): """ Args: c_z: Input channel dimension no_bins: Number of distogram bins """ super(DistogramHead, self).__init__() self.c_z = c_z self.no_bins = no_bins self.linear = Linear(self.c_z, self.no_bins, init="final") def _forward(self, z): # [*, N, N, C_z] """ Args: z: [*, N_res, N_res, C_z] pair embedding Returns: [*, N, N, no_bins] distogram probability distribution """ # [*, N, N, no_bins] logits = self.linear(z) logits = logits + logits.transpose(-2, -3) return logits def forward(self, z): if(is_fp16_enabled()): with torch.cuda.amp.autocast(enabled=False): return self._forward(z.float()) else: return self._forward(z) class TMScoreHead(nn.Module): """ For use in computation of TM-score, subsection 1.9.7 """ def __init__(self, c_z, no_bins, **kwargs): """ Args: c_z: Input channel dimension no_bins: Number of bins """ super(TMScoreHead, self).__init__() self.c_z = c_z self.no_bins = no_bins self.linear = Linear(self.c_z, self.no_bins, init="final") def forward(self, z): """ Args: z: [*, N_res, N_res, C_z] pairwise embedding Returns: [*, N_res, N_res, no_bins] prediction """ # [*, N, N, no_bins] logits = self.linear(z) return logits class MaskedMSAHead(nn.Module): """ For use in computation of masked MSA loss, subsection 1.9.9 """ def __init__(self, c_m, c_out, **kwargs): """ Args: c_m: MSA channel dimension c_out: Output channel dimension """ super(MaskedMSAHead, self).__init__() self.c_m = c_m self.c_out = c_out self.linear = Linear(self.c_m, self.c_out, init="final") def forward(self, m): """ Args: m: [*, N_seq, N_res, C_m] MSA embedding Returns: [*, N_seq, N_res, C_out] reconstruction """ # [*, N_seq, N_res, C_out] logits = self.linear(m) return logits class ExperimentallyResolvedHead(nn.Module): """ For use in computation of "experimentally resolved" loss, subsection 1.9.10 """ def __init__(self, c_s, c_out, **kwargs): """ Args: c_s: Input channel dimension c_out: Number of distogram bins """ super(ExperimentallyResolvedHead, self).__init__() self.c_s = c_s self.c_out = c_out self.linear = Linear(self.c_s, self.c_out, init="final") def forward(self, s): """ Args: s: [*, N_res, C_s] single embedding Returns: [*, N, C_out] logits """ # [*, N, C_out] logits = self.linear(s) return logits ================================================ FILE: vendor/openfold/openfold/model/model.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import weakref import torch import torch.nn as nn from openfold.model.embedders import ( InputEmbedder, RecyclingEmbedder, TemplateAngleEmbedder, TemplatePairEmbedder, ExtraMSAEmbedder, PreembeddingEmbedder, ) from openfold.model.evoformer import EvoformerStack, ExtraMSAStack from openfold.model.heads import AuxiliaryHeads from openfold.model.structure_module import StructureModule from openfold.model.template import ( TemplatePairStack, TemplatePointwiseAttention, embed_templates_average, embed_templates_offload, ) import openfold.np.residue_constants as residue_constants from openfold.utils.feats import ( pseudo_beta_fn, build_extra_msa_feat, build_template_angle_feat, build_template_pair_feat, atom14_to_atom37, ) from openfold.utils.loss import ( compute_plddt, ) from openfold.utils.tensor_utils import ( add, dict_multimap, tensor_tree_map, ) class AlphaFold(nn.Module): """ Alphafold 2. Implements Algorithm 2 (but with training). """ def __init__(self, config): """ Args: config: A dict-like config object (like the one in config.py) """ super(AlphaFold, self).__init__() self.globals = config.globals self.config = config.model self.template_config = self.config.template self.extra_msa_config = self.config.extra_msa self.seqemb_mode = config.globals.seqemb_mode_enabled # Main trunk + structure module # If using seqemb mode, embed the sequence embeddings passed # to the model ("preembeddings") instead of embedding the sequence if self.seqemb_mode: self.input_embedder = PreembeddingEmbedder( **self.config["preembedding_embedder"], ) else: self.input_embedder = InputEmbedder( **self.config["input_embedder"], ) self.recycling_embedder = RecyclingEmbedder( **self.config["recycling_embedder"], ) if(self.template_config.enabled): self.template_angle_embedder = TemplateAngleEmbedder( **self.template_config["template_angle_embedder"], ) self.template_pair_embedder = TemplatePairEmbedder( **self.template_config["template_pair_embedder"], ) self.template_pair_stack = TemplatePairStack( **self.template_config["template_pair_stack"], ) self.template_pointwise_att = TemplatePointwiseAttention( **self.template_config["template_pointwise_attention"], ) if(self.extra_msa_config.enabled): self.extra_msa_embedder = ExtraMSAEmbedder( **self.extra_msa_config["extra_msa_embedder"], ) self.extra_msa_stack = ExtraMSAStack( **self.extra_msa_config["extra_msa_stack"], ) self.evoformer = EvoformerStack( **self.config["evoformer_stack"], ) self.structure_module = StructureModule( **self.config["structure_module"], ) self.aux_heads = AuxiliaryHeads( self.config["heads"], ) def embed_templates(self, batch, z, pair_mask, templ_dim, inplace_safe): if(self.template_config.offload_templates): return embed_templates_offload(self, batch, z, pair_mask, templ_dim, inplace_safe=inplace_safe, ) elif(self.template_config.average_templates): return embed_templates_average(self, batch, z, pair_mask, templ_dim, inplace_safe=inplace_safe, ) # Embed the templates one at a time (with a poor man's vmap) pair_embeds = [] n = z.shape[-2] n_templ = batch["template_aatype"].shape[templ_dim] if(inplace_safe): # We'll preallocate the full pair tensor now to avoid manifesting # a second copy during the stack later on t_pair = z.new_zeros( z.shape[:-3] + (n_templ, n, n, self.globals.c_t) ) for i in range(n_templ): idx = batch["template_aatype"].new_tensor(i) single_template_feats = tensor_tree_map( lambda t: torch.index_select(t, templ_dim, idx).squeeze(templ_dim), batch, ) # [*, N, N, C_t] t = build_template_pair_feat( single_template_feats, use_unit_vector=self.config.template.use_unit_vector, inf=self.config.template.inf, eps=self.config.template.eps, **self.config.template.distogram, ).to(z.dtype) t = self.template_pair_embedder(t) if(inplace_safe): t_pair[..., i, :, :, :] = t else: pair_embeds.append(t) del t if(not inplace_safe): t_pair = torch.stack(pair_embeds, dim=templ_dim) del pair_embeds # [*, S_t, N, N, C_z] t = self.template_pair_stack( t_pair, pair_mask.unsqueeze(-3).to(dtype=z.dtype), chunk_size=self.globals.chunk_size, use_lma=self.globals.use_lma, inplace_safe=inplace_safe, _mask_trans=self.config._mask_trans, ) del t_pair # [*, N, N, C_z] t = self.template_pointwise_att( t, z, template_mask=batch["template_mask"].to(dtype=z.dtype), use_lma=self.globals.use_lma, ) t_mask = torch.sum(batch["template_mask"], dim=-1) > 0 # Append singletons t_mask = t_mask.reshape( *t_mask.shape, *([1] * (len(t.shape) - len(t_mask.shape))) ) if(inplace_safe): t *= t_mask else: t = t * t_mask ret = {} ret.update({"template_pair_embedding": t}) del t if self.config.template.embed_angles: template_angle_feat = build_template_angle_feat( batch ) # [*, S_t, N, C_m] a = self.template_angle_embedder(template_angle_feat) ret["template_angle_embedding"] = a return ret def iteration(self, feats, prevs, _recycle=True): # Primary output dictionary outputs = {} # This needs to be done manually for DeepSpeed's sake dtype = next(self.parameters()).dtype for k in feats: if(feats[k].dtype == torch.float32): feats[k] = feats[k].to(dtype=dtype) # Grab some data about the input batch_dims = feats["target_feat"].shape[:-2] no_batch_dims = len(batch_dims) n = feats["target_feat"].shape[-2] n_seq = feats["msa_feat"].shape[-3] device = feats["target_feat"].device # Controls whether the model uses in-place operations throughout # The dual condition accounts for activation checkpoints inplace_safe = not (self.training or torch.is_grad_enabled()) # Prep some features seq_mask = feats["seq_mask"] pair_mask = seq_mask[..., None] * seq_mask[..., None, :] msa_mask = feats["msa_mask"] ## Initialize the SingleSeq and pair representations # m: [*, 1, N, C_m] # z: [*, N, N, C_z] if self.seqemb_mode: m, z = self.input_embedder( feats["target_feat"], feats["residue_index"], feats["seq_embedding"] ) else: ## Initialize the MSA and pair representations # m: [*, S_c, N, C_m] # z: [*, N, N, C_z] m, z = self.input_embedder( feats["target_feat"], feats["residue_index"], feats["msa_feat"], inplace_safe=inplace_safe, ) # Unpack the recycling embeddings. Removing them from the list allows # them to be freed further down in this function, saving memory m_1_prev, z_prev, x_prev = reversed([prevs.pop() for _ in range(3)]) # Initialize the recycling embeddings, if needs be if None in [m_1_prev, z_prev, x_prev]: # [*, N, C_m] m_1_prev = m.new_zeros( (*batch_dims, n, self.config.input_embedder.c_m), requires_grad=False, ) # [*, N, N, C_z] z_prev = z.new_zeros( (*batch_dims, n, n, self.config.input_embedder.c_z), requires_grad=False, ) # [*, N, 3] x_prev = z.new_zeros( (*batch_dims, n, residue_constants.atom_type_num, 3), requires_grad=False, ) x_prev = pseudo_beta_fn( feats["aatype"], x_prev, None ).to(dtype=z.dtype) # The recycling embedder is memory-intensive, so we offload first if(self.globals.offload_inference and inplace_safe): m = m.cpu() z = z.cpu() # m_1_prev_emb: [*, N, C_m] # z_prev_emb: [*, N, N, C_z] m_1_prev_emb, z_prev_emb = self.recycling_embedder( m_1_prev, z_prev, x_prev, inplace_safe=inplace_safe, ) if(self.globals.offload_inference and inplace_safe): m = m.to(m_1_prev_emb.device) z = z.to(z_prev.device) # [*, S_c, N, C_m] m[..., 0, :, :] += m_1_prev_emb # [*, N, N, C_z] z = add(z, z_prev_emb, inplace=inplace_safe) # Deletions like these become significant for inference with large N, # where they free unused tensors and remove references to others such # that they can be offloaded later del m_1_prev, z_prev, x_prev, m_1_prev_emb, z_prev_emb # Embed the templates + merge with MSA/pair embeddings if self.config.template.enabled: template_feats = { k: v for k, v in feats.items() if k.startswith("template_") } template_embeds = self.embed_templates( template_feats, z, pair_mask.to(dtype=z.dtype), no_batch_dims, inplace_safe=inplace_safe, ) # [*, N, N, C_z] z = add(z, template_embeds.pop("template_pair_embedding"), inplace_safe, ) if "template_angle_embedding" in template_embeds: # [*, S = S_c + S_t, N, C_m] m = torch.cat( [m, template_embeds["template_angle_embedding"]], dim=-3 ) # [*, S, N] torsion_angles_mask = feats["template_torsion_angles_mask"] msa_mask = torch.cat( [feats["msa_mask"], torsion_angles_mask[..., 2]], dim=-2 ) # Embed extra MSA features + merge with pairwise embeddings if self.config.extra_msa.enabled: # [*, S_e, N, C_e] a = self.extra_msa_embedder(build_extra_msa_feat(feats)) if(self.globals.offload_inference): # To allow the extra MSA stack (and later the evoformer) to # offload its inputs, we remove all references to them here input_tensors = [a, z] del a, z # [*, N, N, C_z] z = self.extra_msa_stack._forward_offload( input_tensors, msa_mask=feats["extra_msa_mask"].to(dtype=m.dtype), chunk_size=self.globals.chunk_size, use_lma=self.globals.use_lma, pair_mask=pair_mask.to(dtype=m.dtype), _mask_trans=self.config._mask_trans, ) del input_tensors else: # [*, N, N, C_z] z = self.extra_msa_stack( a, z, msa_mask=feats["extra_msa_mask"].to(dtype=m.dtype), chunk_size=self.globals.chunk_size, use_lma=self.globals.use_lma, pair_mask=pair_mask.to(dtype=m.dtype), inplace_safe=inplace_safe, _mask_trans=self.config._mask_trans, ) # Run MSA + pair embeddings through the trunk of the network # m: [*, S, N, C_m] # z: [*, N, N, C_z] # s: [*, N, C_s] if(self.globals.offload_inference): input_tensors = [m, z] del m, z m, z, s = self.evoformer._forward_offload( input_tensors, msa_mask=msa_mask.to(dtype=input_tensors[0].dtype), pair_mask=pair_mask.to(dtype=input_tensors[1].dtype), chunk_size=self.globals.chunk_size, use_lma=self.globals.use_lma, _mask_trans=self.config._mask_trans, ) del input_tensors else: m, z, s = self.evoformer( m, z, msa_mask=msa_mask.to(dtype=m.dtype), pair_mask=pair_mask.to(dtype=z.dtype), chunk_size=self.globals.chunk_size, use_lma=self.globals.use_lma, use_flash=self.globals.use_flash, inplace_safe=inplace_safe, _mask_trans=self.config._mask_trans, ) outputs["msa"] = m[..., :n_seq, :, :] outputs["pair"] = z outputs["single"] = s del z # Predict 3D structure outputs["sm"] = self.structure_module( outputs, feats["aatype"], mask=feats["seq_mask"].to(dtype=s.dtype), inplace_safe=inplace_safe, _offload_inference=self.globals.offload_inference, ) outputs["final_atom_positions"] = atom14_to_atom37( outputs["sm"]["positions"][-1], feats ) outputs["final_atom_mask"] = feats["atom37_atom_exists"] outputs["final_affine_tensor"] = outputs["sm"]["frames"][-1] # Save embeddings for use during the next recycling iteration # [*, N, C_m] m_1_prev = m[..., 0, :, :] # [*, N, N, C_z] z_prev = outputs["pair"] # [*, N, 3] x_prev = outputs["final_atom_positions"] return outputs, m_1_prev, z_prev, x_prev def forward(self, batch): """ Args: batch: Dictionary of arguments outlined in Algorithm 2. Keys must include the official names of the features in the supplement subsection 1.2.9. The final dimension of each input must have length equal to the number of recycling iterations. Features (without the recycling dimension): "aatype" ([*, N_res]): Contrary to the supplement, this tensor of residue indices is not one-hot. "target_feat" ([*, N_res, C_tf]) One-hot encoding of the target sequence. C_tf is config.model.input_embedder.tf_dim. "residue_index" ([*, N_res]) Tensor whose final dimension consists of consecutive indices from 0 to N_res. "msa_feat" ([*, N_seq, N_res, C_msa]) MSA features, constructed as in the supplement. C_msa is config.model.input_embedder.msa_dim. "seq_mask" ([*, N_res]) 1-D sequence mask "msa_mask" ([*, N_seq, N_res]) MSA mask "pair_mask" ([*, N_res, N_res]) 2-D pair mask "extra_msa_mask" ([*, N_extra, N_res]) Extra MSA mask "template_mask" ([*, N_templ]) Template mask (on the level of templates, not residues) "template_aatype" ([*, N_templ, N_res]) Tensor of template residue indices (indices greater than 19 are clamped to 20 (Unknown)) "template_all_atom_positions" ([*, N_templ, N_res, 37, 3]) Template atom coordinates in atom37 format "template_all_atom_mask" ([*, N_templ, N_res, 37]) Template atom coordinate mask "template_pseudo_beta" ([*, N_templ, N_res, 3]) Positions of template carbon "pseudo-beta" atoms (i.e. C_beta for all residues but glycine, for for which C_alpha is used instead) "template_pseudo_beta_mask" ([*, N_templ, N_res]) Pseudo-beta mask """ # Initialize recycling embeddings m_1_prev, z_prev, x_prev = None, None, None prevs = [m_1_prev, z_prev, x_prev] is_grad_enabled = torch.is_grad_enabled() # Main recycling loop num_iters = batch["aatype"].shape[-1] for cycle_no in range(num_iters): # Select the features for the current recycling cycle fetch_cur_batch = lambda t: t[..., cycle_no] feats = tensor_tree_map(fetch_cur_batch, batch) # Enable grad iff we're training and it's the final recycling layer is_final_iter = cycle_no == (num_iters - 1) with torch.set_grad_enabled(is_grad_enabled and is_final_iter): if is_final_iter: # Sidestep AMP bug (PyTorch issue #65766) if torch.is_autocast_enabled(): torch.clear_autocast_cache() # Run the next iteration of the model outputs, m_1_prev, z_prev, x_prev = self.iteration( feats, prevs, _recycle=(num_iters > 1) ) if(not is_final_iter): del outputs prevs = [m_1_prev, z_prev, x_prev] del m_1_prev, z_prev, x_prev # Run auxiliary heads outputs.update(self.aux_heads(outputs)) return outputs ================================================ FILE: vendor/openfold/openfold/model/msa.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import math import torch import torch.nn as nn from typing import Optional, List, Tuple from openfold.model.primitives import ( Linear, LayerNorm, Attention, GlobalAttention, _attention_chunked_trainable, ) from openfold.utils.checkpointing import get_checkpoint_fn from openfold.utils.chunk_utils import chunk_layer from openfold.utils.tensor_utils import ( permute_final_dims, flatten_final_dims, ) class MSAAttention(nn.Module): def __init__( self, c_in, c_hidden, no_heads, pair_bias=False, c_z=None, inf=1e9, ): """ Args: c_in: Input channel dimension c_hidden: Per-head hidden channel dimension no_heads: Number of attention heads pair_bias: Whether to use pair embedding bias c_z: Pair embedding channel dimension. Ignored unless pair_bias is true inf: A large number to be used in computing the attention mask """ super(MSAAttention, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_heads = no_heads self.pair_bias = pair_bias self.c_z = c_z self.inf = inf self.layer_norm_m = LayerNorm(self.c_in) self.layer_norm_z = None self.linear_z = None if self.pair_bias: self.layer_norm_z = LayerNorm(self.c_z) self.linear_z = Linear( self.c_z, self.no_heads, bias=False, init="normal" ) self.mha = Attention( self.c_in, self.c_in, self.c_in, self.c_hidden, self.no_heads, ) @torch.jit.ignore def _chunk(self, m: torch.Tensor, biases: Optional[List[torch.Tensor]], chunk_size: int, use_memory_efficient_kernel: bool, use_lma: bool, use_flash: bool, flash_mask: Optional[torch.Tensor], ) -> torch.Tensor: def fn(m, biases, flash_mask): m = self.layer_norm_m(m) return self.mha( q_x=m, kv_x=m, biases=biases, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma, use_flash=use_flash, flash_mask=flash_mask, ) inputs = {"m": m} if(biases is not None): inputs["biases"] = biases else: fn = partial(fn, biases=None) if(use_flash and flash_mask is not None): inputs["flash_mask"] = flash_mask else: fn = partial(fn, flash_mask=None) return chunk_layer( fn, inputs, chunk_size=chunk_size, no_batch_dims=len(m.shape[:-2]) ) def _prep_inputs(self, m: torch.Tensor, z: Optional[torch.Tensor], mask: Optional[torch.Tensor], inplace_safe: bool = False, ) -> Tuple[torch.Tensor, torch.Tensor, torch.Tensor]: n_seq, n_res = m.shape[-3:-1] if mask is None: # [*, N_seq, N_res] mask = m.new_ones( m.shape[:-3] + (n_seq, n_res), ) # [*, N_seq, 1, 1, N_res] mask_bias = (self.inf * (mask - 1))[..., :, None, None, :] if (self.pair_bias and z is not None and # For the self.layer_norm_z is not None and # benefit of self.linear_z is not None # TorchScript ): chunks = [] for i in range(0, z.shape[-3], 256): z_chunk = z[..., i: i + 256, :, :] # [*, N_res, N_res, C_z] z_chunk = self.layer_norm_z(z_chunk) # [*, N_res, N_res, no_heads] z_chunk = self.linear_z(z_chunk) chunks.append(z_chunk) z = torch.cat(chunks, dim=-3) # [*, 1, no_heads, N_res, N_res] z = permute_final_dims(z, (2, 0, 1)).unsqueeze(-4) return m, mask_bias, z @torch.jit.ignore def _chunked_msa_attn(self, m: torch.Tensor, z: Optional[torch.Tensor], mask: Optional[torch.Tensor], chunk_logits: int, checkpoint: bool, inplace_safe: bool = False ) -> torch.Tensor: """ MSA attention with training-time chunking of the softmax computation. Saves memory in the extra MSA stack. Probably obviated by our fused attention kernel, which is now used by default. """ MSA_DIM = -4 def _get_qkv(m, z): m, mask_bias, z = self._prep_inputs( m, z, mask, inplace_safe=inplace_safe ) m = self.layer_norm_m(m) q, k, v = self.mha._prep_qkv(m, m) return m, q, k, v, mask_bias, z checkpoint_fn = get_checkpoint_fn() if(torch.is_grad_enabled() and checkpoint): m, q, k, v, mask_bias, z = checkpoint_fn(_get_qkv, m, z) else: m, q, k, v, mask_bias, z = _get_qkv(m, z) o = _attention_chunked_trainable( query=q, key=k, value=v, biases=[mask_bias, z], chunk_size=chunk_logits, chunk_dim=MSA_DIM, checkpoint=checkpoint, ) if(torch.is_grad_enabled() and checkpoint): # Storing an additional m here is far from ideal m = checkpoint_fn(self.mha._wrap_up, o, m) else: m = self.mha._wrap_up(o, m) return m def forward(self, m: torch.Tensor, z: Optional[torch.Tensor] = None, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, use_memory_efficient_kernel: bool = False, use_lma: bool = False, use_flash: bool = False, inplace_safe: bool = False, _chunk_logits: Optional[int] = None, _checkpoint_chunks: Optional[bool] = None, ) -> torch.Tensor: """ Args: m: [*, N_seq, N_res, C_m] MSA embedding z: [*, N_res, N_res, C_z] pair embedding. Required only if pair_bias is True mask: [*, N_seq, N_res] MSA mask chunk_size: Size of chunks into which the inputs are split along their batch dimensions. A low value decreases memory overhead at the cost of slower execution. Chunking is not performed by default. """ if(_chunk_logits is not None): return self._chunked_msa_attn( m=m, z=z, mask=mask, chunk_logits=_chunk_logits, checkpoint=_checkpoint_chunks, inplace_safe=inplace_safe, ) if(use_flash): assert z is None biases = None else: m, mask_bias, z = self._prep_inputs( m, z, mask, inplace_safe=inplace_safe ) biases = [mask_bias] if(z is not None): biases.append(z) if chunk_size is not None: m = self._chunk( m, biases, chunk_size, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma, use_flash=use_flash, flash_mask=mask, ) else: m = self.layer_norm_m(m) m = self.mha( q_x=m, kv_x=m, biases=biases, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma, use_flash=use_flash, flash_mask=mask, ) return m class MSARowAttentionWithPairBias(MSAAttention): """ Implements Algorithm 7. """ def __init__(self, c_m, c_z, c_hidden, no_heads, inf=1e9): """ Args: c_m: Input channel dimension c_z: Pair embedding channel dimension c_hidden: Per-head hidden channel dimension no_heads: Number of attention heads inf: Large number used to construct attention masks """ super(MSARowAttentionWithPairBias, self).__init__( c_m, c_hidden, no_heads, pair_bias=True, c_z=c_z, inf=inf, ) class MSAColumnAttention(nn.Module): """ Implements Algorithm 8. By rights, this should also be a subclass of MSAAttention. Alas, most inheritance isn't supported by TorchScript. """ def __init__(self, c_m, c_hidden, no_heads, inf=1e9): """ Args: c_m: MSA channel dimension c_hidden: Per-head hidden channel dimension no_heads: Number of attention heads inf: Large number used to construct attention masks """ super(MSAColumnAttention, self).__init__() self.c_m = c_m self.c_hidden = c_hidden self.no_heads = no_heads self.inf = inf self._msa_att = MSAAttention( c_in=c_m, c_hidden=c_hidden, no_heads=no_heads, pair_bias=False, c_z=None, inf=inf, ) def forward(self, m: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, use_lma: bool = False, use_flash: bool = False, ) -> torch.Tensor: """ Args: m: [*, N_seq, N_res, C_m] MSA embedding mask: [*, N_seq, N_res] MSA mask chunk_size: Size of chunks into which the inputs are split along their batch dimensions. A low value decreases memory overhead at the cost of slower execution. Chunking is not performed by default. """ # [*, N_res, N_seq, C_in] m = m.transpose(-2, -3) if mask is not None: mask = mask.transpose(-1, -2) m = self._msa_att( m, mask=mask, chunk_size=chunk_size, use_lma=use_lma, use_flash=use_flash, ) # [*, N_seq, N_res, C_in] m = m.transpose(-2, -3) if mask is not None: mask = mask.transpose(-1, -2) return m class MSAColumnGlobalAttention(nn.Module): def __init__( self, c_in, c_hidden, no_heads, inf=1e9, eps=1e-10, ): super(MSAColumnGlobalAttention, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_heads = no_heads self.inf = inf self.eps = eps self.layer_norm_m = nn.LayerNorm(c_in) self.global_attention = GlobalAttention( c_in=c_in, c_hidden=c_hidden, no_heads=no_heads, inf=inf, eps=eps, ) @torch.jit.ignore def _chunk(self, m: torch.Tensor, mask: torch.Tensor, chunk_size: int, use_lma: bool = False, ) -> torch.Tensor: mha_input = { "m": m, "mask": mask, } def fn(m, mask): m = self.layer_norm_m(m) return self.global_attention(m, mask, use_lma=use_lma) return chunk_layer( fn, mha_input, chunk_size=chunk_size, no_batch_dims=len(m.shape[:-2]), ) def forward( self, m: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, use_lma: bool = False, ) -> torch.Tensor: n_seq, n_res, c_in = m.shape[-3:] if mask is None: # [*, N_seq, N_res] mask = torch.ones( m.shape[:-1], dtype=m.dtype, device=m.device, ).detach() # [*, N_res, N_seq, C_in] m = m.transpose(-2, -3) mask = mask.transpose(-1, -2) if chunk_size is not None: m = self._chunk(m, mask, chunk_size, use_lma=use_lma) else: m = self.layer_norm_m(m) m = self.global_attention(m=m, mask=mask, use_lma=use_lma) # [*, N_seq, N_res, C_in] m = m.transpose(-2, -3) return m ================================================ FILE: vendor/openfold/openfold/model/outer_product_mean.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial from typing import Optional import torch import torch.nn as nn from openfold.model.primitives import Linear from openfold.utils.chunk_utils import chunk_layer from openfold.utils.precision_utils import is_fp16_enabled class OuterProductMean(nn.Module): """ Implements Algorithm 10. """ def __init__(self, c_m, c_z, c_hidden, eps=1e-3): """ Args: c_m: MSA embedding channel dimension c_z: Pair embedding channel dimension c_hidden: Hidden channel dimension """ super(OuterProductMean, self).__init__() self.c_m = c_m self.c_z = c_z self.c_hidden = c_hidden self.eps = eps self.layer_norm = nn.LayerNorm(c_m) self.linear_1 = Linear(c_m, c_hidden) self.linear_2 = Linear(c_m, c_hidden) self.linear_out = Linear(c_hidden ** 2, c_z, init="final") def _opm(self, a, b): # [*, N_res, N_res, C, C] outer = torch.einsum("...bac,...dae->...bdce", a, b) # [*, N_res, N_res, C * C] outer = outer.reshape(outer.shape[:-2] + (-1,)) # [*, N_res, N_res, C_z] outer = self.linear_out(outer) return outer @torch.jit.ignore def _chunk(self, a: torch.Tensor, b: torch.Tensor, chunk_size: int ) -> torch.Tensor: # Since the "batch dim" in this case is not a true batch dimension # (in that the shape of the output depends on it), we need to # iterate over it ourselves a_reshape = a.reshape((-1,) + a.shape[-3:]) b_reshape = b.reshape((-1,) + b.shape[-3:]) out = [] for a_prime, b_prime in zip(a_reshape, b_reshape): outer = chunk_layer( partial(self._opm, b=b_prime), {"a": a_prime}, chunk_size=chunk_size, no_batch_dims=1, ) out.append(outer) # For some cursed reason making this distinction saves memory if(len(out) == 1): outer = out[0].unsqueeze(0) else: outer = torch.stack(out, dim=0) outer = outer.reshape(a.shape[:-3] + outer.shape[1:]) return outer def _forward(self, m: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, inplace_safe: bool = False, ) -> torch.Tensor: """ Args: m: [*, N_seq, N_res, C_m] MSA embedding mask: [*, N_seq, N_res] MSA mask Returns: [*, N_res, N_res, C_z] pair embedding update """ if mask is None: mask = m.new_ones(m.shape[:-1]) # [*, N_seq, N_res, C_m] ln = self.layer_norm(m) # [*, N_seq, N_res, C] mask = mask.unsqueeze(-1) a = self.linear_1(ln) a = a * mask b = self.linear_2(ln) b = b * mask del ln a = a.transpose(-2, -3) b = b.transpose(-2, -3) if chunk_size is not None: outer = self._chunk(a, b, chunk_size) else: outer = self._opm(a, b) # [*, N_res, N_res, 1] norm = torch.einsum("...abc,...adc->...bdc", mask, mask) norm = norm + self.eps # [*, N_res, N_res, C_z] if(inplace_safe): outer /= norm else: outer = outer / norm return outer def forward(self, m: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, inplace_safe: bool = False, ) -> torch.Tensor: if(is_fp16_enabled()): with torch.cuda.amp.autocast(enabled=False): return self._forward(m.float(), mask, chunk_size, inplace_safe) else: return self._forward(m, mask, chunk_size, inplace_safe) ================================================ FILE: vendor/openfold/openfold/model/pair_transition.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from typing import Optional import torch import torch.nn as nn from openfold.model.primitives import Linear, LayerNorm from openfold.utils.chunk_utils import chunk_layer class PairTransition(nn.Module): """ Implements Algorithm 15. """ def __init__(self, c_z, n): """ Args: c_z: Pair transition channel dimension n: Factor by which c_z is multiplied to obtain hidden channel dimension """ super(PairTransition, self).__init__() self.c_z = c_z self.n = n self.layer_norm = LayerNorm(self.c_z) self.linear_1 = Linear(self.c_z, self.n * self.c_z, init="relu") self.relu = nn.ReLU() self.linear_2 = Linear(self.n * self.c_z, c_z, init="final") def _transition(self, z, mask): # [*, N_res, N_res, C_z] z = self.layer_norm(z) # [*, N_res, N_res, C_hidden] z = self.linear_1(z) z = self.relu(z) # [*, N_res, N_res, C_z] z = self.linear_2(z) z = z * mask return z @torch.jit.ignore def _chunk(self, z: torch.Tensor, mask: torch.Tensor, chunk_size: int, ) -> torch.Tensor: return chunk_layer( self._transition, {"z": z, "mask": mask}, chunk_size=chunk_size, no_batch_dims=len(z.shape[:-2]), ) def forward(self, z: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, ) -> torch.Tensor: """ Args: z: [*, N_res, N_res, C_z] pair embedding Returns: [*, N_res, N_res, C_z] pair embedding update """ # DISCREPANCY: DeepMind forgets to apply the mask in this module. if mask is None: mask = z.new_ones(z.shape[:-1]) # [*, N_res, N_res, 1] mask = mask.unsqueeze(-1) if chunk_size is not None: z = self._chunk(z, mask, chunk_size) else: z = self._transition(z=z, mask=mask) return z ================================================ FILE: vendor/openfold/openfold/model/primitives.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import importlib import math from typing import Optional, Callable, List, Tuple, Sequence import numpy as np deepspeed_is_installed = importlib.util.find_spec("deepspeed") is not None if(deepspeed_is_installed): import deepspeed fa_is_installed = importlib.util.find_spec("flash_attn") is not None if(fa_is_installed): from flash_attn.bert_padding import unpad_input, pad_input from flash_attn.flash_attention import FlashAttention from flash_attn.flash_attn_interface import flash_attn_unpadded_kvpacked_func import torch import torch.nn as nn from scipy.stats import truncnorm from openfold.utils.checkpointing import get_checkpoint_fn from openfold.utils.chunk_utils import _chunk_slice from openfold.utils.kernel.attention_core import attention_core from openfold.utils.precision_utils import is_fp16_enabled from openfold.utils.tensor_utils import ( permute_final_dims, flatten_final_dims, ) DEFAULT_LMA_Q_CHUNK_SIZE=1024 DEFAULT_LMA_KV_CHUNK_SIZE=4096 def _prod(nums): out = 1 for n in nums: out = out * n return out def _calculate_fan(linear_weight_shape, fan="fan_in"): fan_out, fan_in = linear_weight_shape if fan == "fan_in": f = fan_in elif fan == "fan_out": f = fan_out elif fan == "fan_avg": f = (fan_in + fan_out) / 2 else: raise ValueError("Invalid fan option") return f def trunc_normal_init_(weights, scale=1.0, fan="fan_in"): shape = weights.shape f = _calculate_fan(shape, fan) scale = scale / max(1, f) a = -2 b = 2 std = math.sqrt(scale) / truncnorm.std(a=a, b=b, loc=0, scale=1) size = _prod(shape) samples = truncnorm.rvs(a=a, b=b, loc=0, scale=std, size=size) samples = np.reshape(samples, shape) with torch.no_grad(): weights.copy_(torch.tensor(samples, device=weights.device)) def lecun_normal_init_(weights): trunc_normal_init_(weights, scale=1.0) def he_normal_init_(weights): trunc_normal_init_(weights, scale=2.0) def glorot_uniform_init_(weights): nn.init.xavier_uniform_(weights, gain=1) def final_init_(weights): with torch.no_grad(): weights.fill_(0.0) def gating_init_(weights): with torch.no_grad(): weights.fill_(0.0) def normal_init_(weights): torch.nn.init.kaiming_normal_(weights, nonlinearity="linear") def ipa_point_weights_init_(weights): with torch.no_grad(): softplus_inverse_1 = 0.541324854612918 weights.fill_(softplus_inverse_1) class Linear(nn.Linear): """ A Linear layer with built-in nonstandard initializations. Called just like torch.nn.Linear. Implements the initializers in 1.11.4, plus some additional ones found in the code. """ def __init__( self, in_dim: int, out_dim: int, bias: bool = True, init: str = "default", init_fn: Optional[Callable[[torch.Tensor, torch.Tensor], None]] = None, ): """ Args: in_dim: The final dimension of inputs to the layer out_dim: The final dimension of layer outputs bias: Whether to learn an additive bias. True by default init: The initializer to use. Choose from: "default": LeCun fan-in truncated normal initialization "relu": He initialization w/ truncated normal distribution "glorot": Fan-average Glorot uniform initialization "gating": Weights=0, Bias=1 "normal": Normal initialization with std=1/sqrt(fan_in) "final": Weights=0, Bias=0 Overridden by init_fn if the latter is not None. init_fn: A custom initializer taking weight and bias as inputs. Overrides init if not None. """ super(Linear, self).__init__(in_dim, out_dim, bias=bias) if bias: with torch.no_grad(): self.bias.fill_(0) with torch.no_grad(): if init_fn is not None: init_fn(self.weight, self.bias) else: if init == "default": lecun_normal_init_(self.weight) elif init == "relu": he_normal_init_(self.weight) elif init == "glorot": glorot_uniform_init_(self.weight) elif init == "gating": gating_init_(self.weight) if bias: self.bias.fill_(1.0) elif init == "normal": normal_init_(self.weight) elif init == "final": final_init_(self.weight) else: raise ValueError("Invalid init string.") class LayerNorm(nn.Module): def __init__(self, c_in, eps=1e-5): super(LayerNorm, self).__init__() self.c_in = (c_in,) self.eps = eps self.weight = nn.Parameter(torch.ones(c_in)) self.bias = nn.Parameter(torch.zeros(c_in)) def forward(self, x): d = x.dtype # deepspeed_is_initialized = ( # deepspeed_is_installed and # deepspeed.utils.is_initialized() # ) deepspeed_is_initialized = False if(d is torch.bfloat16 and not deepspeed_is_initialized): with torch.cuda.amp.autocast(enabled=False): out = nn.functional.layer_norm( x, self.c_in, self.weight.to(dtype=d), self.bias.to(dtype=d), self.eps ) else: out = nn.functional.layer_norm( x, self.c_in, self.weight, self.bias, self.eps, ) return out @torch.jit.ignore def softmax_no_cast(t: torch.Tensor, dim: int = -1) -> torch.Tensor: """ Softmax, but without automatic casting to fp32 when the input is of type bfloat16 """ d = t.dtype # deepspeed_is_initialized = ( # deepspeed_is_installed and # deepspeed.utils.is_initialized() # ) deepspeed_is_initialized = False if(d is torch.bfloat16 and not deepspeed_is_initialized): with torch.cuda.amp.autocast(enabled=False): s = torch.nn.functional.softmax(t, dim=dim) else: s = torch.nn.functional.softmax(t, dim=dim) return s #@torch.jit.script def _attention(query: torch.Tensor, key: torch.Tensor, value: torch.Tensor, biases: List[torch.Tensor]) -> torch.Tensor: # [*, H, C_hidden, K] key = permute_final_dims(key, (1, 0)) # [*, H, Q, K] a = torch.matmul(query, key) for b in biases: a += b a = softmax_no_cast(a, -1) # [*, H, Q, C_hidden] a = torch.matmul(a, value) return a @torch.jit.ignore def _attention_chunked_trainable( query, key, value, biases, chunk_size, chunk_dim, checkpoint, ): if(checkpoint and len(biases) > 2): raise ValueError( "Checkpointed version permits only permits two bias terms" ) def _checkpointable_attention(q, k, v, b1, b2): bs = [b for b in [b1, b2] if b is not None] a = _attention(q, k, v, bs) return a o_chunks = [] checkpoint_fn = get_checkpoint_fn() count = query.shape[chunk_dim] for start in range(0, count, chunk_size): end = start + chunk_size idx = [slice(None)] * len(query.shape) idx[chunk_dim] = slice(start, end) idx_tup = tuple(idx) q_chunk = query[idx_tup] k_chunk = key[idx_tup] v_chunk = value[idx_tup] def _slice_bias(b): idx[chunk_dim] = ( slice(start, end) if b.shape[chunk_dim] != 1 else slice(None) ) return b[tuple(idx)] if(checkpoint): bias_1_chunk, bias_2_chunk = [ _slice_bias(b) if b is not None else None for b in (biases + [None, None])[:2] ] o_chunk = checkpoint_fn(_checkpointable_attention, q_chunk, k_chunk, v_chunk, bias_1_chunk, bias_2_chunk ) else: bias_chunks = [ _slice_bias(b) for b in biases ] o_chunk = _attention(q_chunk, k_chunk, v_chunk, bias_chunks) o_chunk = o_chunk.transpose(-2, -3) o_chunks.append(o_chunk) o = torch.cat(o_chunks, dim=chunk_dim) return o class Attention(nn.Module): """ Standard multi-head attention using AlphaFold's default layer initialization. Allows multiple bias vectors. """ def __init__( self, c_q: int, c_k: int, c_v: int, c_hidden: int, no_heads: int, gating: bool = True, ): """ Args: c_q: Input dimension of query data c_k: Input dimension of key data c_v: Input dimension of value data c_hidden: Per-head hidden dimension no_heads: Number of attention heads gating: Whether the output should be gated using query data """ super(Attention, self).__init__() self.c_q = c_q self.c_k = c_k self.c_v = c_v self.c_hidden = c_hidden self.no_heads = no_heads self.gating = gating # DISCREPANCY: c_hidden is not the per-head channel dimension, as # stated in the supplement, but the overall channel dimension. self.linear_q = Linear( self.c_q, self.c_hidden * self.no_heads, bias=False, init="glorot" ) self.linear_k = Linear( self.c_k, self.c_hidden * self.no_heads, bias=False, init="glorot" ) self.linear_v = Linear( self.c_v, self.c_hidden * self.no_heads, bias=False, init="glorot" ) self.linear_o = Linear( self.c_hidden * self.no_heads, self.c_q, init="final" ) self.linear_g = None if self.gating: self.linear_g = Linear( self.c_q, self.c_hidden * self.no_heads, init="gating" ) self.sigmoid = nn.Sigmoid() def _prep_qkv(self, q_x: torch.Tensor, kv_x: torch.Tensor ) -> Tuple[ torch.Tensor, torch.Tensor, torch.Tensor ]: # [*, Q/K/V, H * C_hidden] q = self.linear_q(q_x) k = self.linear_k(kv_x) v = self.linear_v(kv_x) # [*, Q/K, H, C_hidden] q = q.view(q.shape[:-1] + (self.no_heads, -1)) k = k.view(k.shape[:-1] + (self.no_heads, -1)) v = v.view(v.shape[:-1] + (self.no_heads, -1)) # [*, H, Q/K, C_hidden] q = q.transpose(-2, -3) k = k.transpose(-2, -3) v = v.transpose(-2, -3) q /= math.sqrt(self.c_hidden) return q, k, v def _wrap_up(self, o: torch.Tensor, q_x: torch.Tensor ) -> torch.Tensor: if(self.linear_g is not None): g = self.sigmoid(self.linear_g(q_x)) # [*, Q, H, C_hidden] g = g.view(g.shape[:-1] + (self.no_heads, -1)) o = o * g # [*, Q, H * C_hidden] o = flatten_final_dims(o, 2) # [*, Q, C_q] o = self.linear_o(o) return o def forward( self, q_x: torch.Tensor, kv_x: torch.Tensor, biases: Optional[List[torch.Tensor]] = None, use_memory_efficient_kernel: bool = False, use_lma: bool = False, lma_q_chunk_size: int = DEFAULT_LMA_Q_CHUNK_SIZE, lma_kv_chunk_size: int = DEFAULT_LMA_KV_CHUNK_SIZE, use_flash: bool = False, flash_mask: Optional[torch.Tensor] = None, ) -> torch.Tensor: """ Args: q_x: [*, Q, C_q] query data kv_x: [*, K, C_k] key data biases: List of biases that broadcast to [*, H, Q, K] use_memory_efficient_kernel: Whether to use a custom memory-efficient attention kernel. This should be the default choice for most. If none of the "use_<...>" flags are True, a stock PyTorch implementation is used instead use_lma: Whether to use low-memory attention (Staats & Rabe 2021). If none of the "use_<...>" flags are True, a stock PyTorch implementation is used instead lma_q_chunk_size: Query chunk size (for LMA) lma_kv_chunk_size: Key/Value chunk size (for LMA) Returns [*, Q, C_q] attention update """ if(use_lma and (lma_q_chunk_size is None or lma_kv_chunk_size is None)): raise ValueError( "If use_lma is specified, lma_q_chunk_size and " "lma_kv_chunk_size must be provided" ) if(use_flash and biases is not None): raise ValueError( "use_flash is incompatible with the bias option. For masking, " "use flash_mask instead" ) attn_options = [use_memory_efficient_kernel, use_lma, use_flash] if(sum(attn_options) > 1): raise ValueError( "Choose at most one alternative attention algorithm" ) if(biases is None): biases = [] # [*, H, Q/K, C_hidden] q, k, v = self._prep_qkv(q_x, kv_x) # [*, Q, H, C_hidden] if is_fp16_enabled(): use_memory_efficient_kernel = False if(use_memory_efficient_kernel): if(len(biases) > 2): raise ValueError( "If use_memory_efficient_kernel is True, you may only " "provide up to two bias terms" ) o = attention_core(q, k, v, *((biases + [None] * 2)[:2])) o = o.transpose(-2, -3) elif(use_lma): biases = [ b.expand(b.shape[:-2] + (q_x.shape[-2],) + (kv_x.shape[-2],)) for b in biases ] o = _lma(q, k, v, biases, lma_q_chunk_size, lma_kv_chunk_size) o = o.transpose(-2, -3) elif(use_flash): o = _flash_attn(q, k, v, flash_mask) else: o = _attention(q, k, v, biases) o = o.transpose(-2, -3) o = self._wrap_up(o, q_x) return o class GlobalAttention(nn.Module): def __init__(self, c_in, c_hidden, no_heads, inf, eps): super(GlobalAttention, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_heads = no_heads self.inf = inf self.eps = eps self.linear_q = Linear( c_in, c_hidden * no_heads, bias=False, init="glorot" ) self.linear_k = Linear( c_in, c_hidden, bias=False, init="glorot", ) self.linear_v = Linear( c_in, c_hidden, bias=False, init="glorot", ) self.linear_g = Linear(c_in, c_hidden * no_heads, init="gating") self.linear_o = Linear(c_hidden * no_heads, c_in, init="final") self.sigmoid = nn.Sigmoid() def forward(self, m: torch.Tensor, mask: torch.Tensor, use_lma: bool = False, ) -> torch.Tensor: # [*, N_res, C_in] q = torch.sum(m * mask.unsqueeze(-1), dim=-2) / ( torch.sum(mask, dim=-1)[..., None] + self.eps ) # [*, N_res, H * C_hidden] q = self.linear_q(q) q *= (self.c_hidden ** (-0.5)) # [*, N_res, H, C_hidden] q = q.view(q.shape[:-1] + (self.no_heads, -1)) # [*, N_res, N_seq, C_hidden] k = self.linear_k(m) v = self.linear_v(m) bias = (self.inf * (mask - 1))[..., :, None, :] if(not use_lma): # [*, N_res, H, N_seq] a = torch.matmul( q, k.transpose(-1, -2), # [*, N_res, C_hidden, N_seq] ) a += bias a = softmax_no_cast(a) # [*, N_res, H, C_hidden] o = torch.matmul( a, v, ) else: o = _lma( q, k, v, [bias], DEFAULT_LMA_Q_CHUNK_SIZE, DEFAULT_LMA_KV_CHUNK_SIZE ) # [*, N_res, N_seq, C_hidden] g = self.sigmoid(self.linear_g(m)) # [*, N_res, N_seq, H, C_hidden] g = g.view(g.shape[:-1] + (self.no_heads, -1)) # [*, N_res, N_seq, H, C_hidden] o = o.unsqueeze(-3) * g # [*, N_res, N_seq, H * C_hidden] o = o.reshape(o.shape[:-2] + (-1,)) # [*, N_res, N_seq, C_in] m = self.linear_o(o) return m def _lma( q: torch.Tensor, k: torch.Tensor, v: torch.Tensor, biases: List[torch.Tensor], q_chunk_size: int, kv_chunk_size: int, ): no_q, no_kv = q.shape[-2], k.shape[-2] # [*, H, Q, C_hidden] o = q.new_zeros(q.shape) for q_s in range(0, no_q, q_chunk_size): q_chunk = q[..., q_s: q_s + q_chunk_size, :] large_bias_chunks = [ b[..., q_s: q_s + q_chunk_size, :] for b in biases ] maxes = [] weights = [] values = [] for kv_s in range(0, no_kv, kv_chunk_size): k_chunk = k[..., kv_s: kv_s + kv_chunk_size, :] v_chunk = v[..., kv_s: kv_s + kv_chunk_size, :] small_bias_chunks = [ b[..., kv_s: kv_s + kv_chunk_size] for b in large_bias_chunks ] a = torch.einsum( "...hqd,...hkd->...hqk", q_chunk, k_chunk, ) for b in small_bias_chunks: a += b max_a = torch.max(a, dim=-1, keepdim=True)[0] exp_a = torch.exp(a - max_a) exp_v = torch.einsum("...hvf,...hqv->...hqf", v_chunk, exp_a) maxes.append(max_a.detach().squeeze(-1)) weights.append(torch.sum(exp_a, dim=-1)) values.append(exp_v) chunk_max = torch.stack(maxes, dim=-3) chunk_weights = torch.stack(weights, dim=-3) chunk_values = torch.stack(values, dim=-4) global_max = torch.max(chunk_max, dim=-3, keepdim=True)[0] max_diffs = torch.exp(chunk_max - global_max) chunk_values = chunk_values * max_diffs.unsqueeze(-1) chunk_weights = chunk_weights * max_diffs all_values = torch.sum(chunk_values, dim=-4) all_weights = torch.sum(chunk_weights.unsqueeze(-1), dim=-4) q_chunk_out = all_values / all_weights o[..., q_s: q_s + q_chunk_size, :] = q_chunk_out return o @torch.jit.ignore def _flash_attn(q, k, v, kv_mask): if(not fa_is_installed): raise ValueError( "_flash_attn requires that FlashAttention be installed" ) batch_dims = q.shape[:-3] no_heads, n, c = q.shape[-3:] dtype = q.dtype q = q.half() k = k.half() v = v.half() kv_mask = kv_mask.half() # [*, B, N, H, C] q = q.transpose(-2, -3) k = k.transpose(-2, -3) v = v.transpose(-2, -3) # [B_flat, N, H, C] q = q.reshape(-1, *q.shape[-3:]) k = k.reshape(-1, *k.shape[-3:]) v = v.reshape(-1, *v.shape[-3:]) # Flattened batch size batch_size = q.shape[0] # [B_flat * N, H, C] q = q.reshape(-1, *q.shape[-2:]) q_max_s = n q_cu_seqlens = torch.arange( 0, (batch_size + 1) * n, step=n, dtype=torch.int32, device=q.device ) # [B_flat, N, 2, H, C] kv = torch.stack([k, v], dim=-3) kv_shape = kv.shape # [B_flat, N, 2 * H * C] kv = kv.reshape(*kv.shape[:-3], -1) kv_unpad, _, kv_cu_seqlens, kv_max_s = unpad_input(kv, kv_mask) kv_unpad = kv_unpad.reshape(-1, *kv_shape[-3:]) out = flash_attn_unpadded_kvpacked_func( q, kv_unpad, q_cu_seqlens, kv_cu_seqlens, q_max_s, kv_max_s, dropout_p = 0., softmax_scale = 1., # q has been scaled already ) # [*, B, N, H, C] out = out.reshape(*batch_dims, n, no_heads, c) out = out.to(dtype=dtype) return out ================================================ FILE: vendor/openfold/openfold/model/structure_module.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import reduce import importlib import math import sys from operator import mul import torch import torch.nn as nn from typing import Optional, Tuple, Sequence from openfold.model.primitives import Linear, LayerNorm, ipa_point_weights_init_ from openfold.np.residue_constants import ( restype_rigid_group_default_frame, restype_atom14_to_rigid_group, restype_atom14_mask, restype_atom14_rigid_group_positions, ) from openfold.utils.feats import ( frames_and_literature_positions_to_atom14_pos, torsion_angles_to_frames, ) from openfold.utils.precision_utils import is_fp16_enabled from openfold.utils.rigid_utils import Rotation, Rigid from openfold.utils.tensor_utils import ( dict_multimap, permute_final_dims, flatten_final_dims, ) attn_core_inplace_cuda = importlib.import_module("attn_core_inplace_cuda") class AngleResnetBlock(nn.Module): def __init__(self, c_hidden): """ Args: c_hidden: Hidden channel dimension """ super(AngleResnetBlock, self).__init__() self.c_hidden = c_hidden self.linear_1 = Linear(self.c_hidden, self.c_hidden, init="relu") self.linear_2 = Linear(self.c_hidden, self.c_hidden, init="final") self.relu = nn.ReLU() def forward(self, a: torch.Tensor) -> torch.Tensor: s_initial = a a = self.relu(a) a = self.linear_1(a) a = self.relu(a) a = self.linear_2(a) return a + s_initial class AngleResnet(nn.Module): """ Implements Algorithm 20, lines 11-14 """ def __init__(self, c_in, c_hidden, no_blocks, no_angles, epsilon): """ Args: c_in: Input channel dimension c_hidden: Hidden channel dimension no_blocks: Number of resnet blocks no_angles: Number of torsion angles to generate epsilon: Small constant for normalization """ super(AngleResnet, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_blocks = no_blocks self.no_angles = no_angles self.eps = epsilon self.linear_in = Linear(self.c_in, self.c_hidden) self.linear_initial = Linear(self.c_in, self.c_hidden) self.layers = nn.ModuleList() for _ in range(self.no_blocks): layer = AngleResnetBlock(c_hidden=self.c_hidden) self.layers.append(layer) self.linear_out = Linear(self.c_hidden, self.no_angles * 2) self.relu = nn.ReLU() def forward( self, s: torch.Tensor, s_initial: torch.Tensor ) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: s: [*, C_hidden] single embedding s_initial: [*, C_hidden] single embedding as of the start of the StructureModule Returns: [*, no_angles, 2] predicted angles """ # NOTE: The ReLU's applied to the inputs are absent from the supplement # pseudocode but present in the source. For maximal compatibility with # the pretrained weights, I'm going with the source. # [*, C_hidden] s_initial = self.relu(s_initial) s_initial = self.linear_initial(s_initial) s = self.relu(s) s = self.linear_in(s) s = s + s_initial for l in self.layers: s = l(s) s = self.relu(s) # [*, no_angles * 2] s = self.linear_out(s) # [*, no_angles, 2] s = s.view(s.shape[:-1] + (-1, 2)) unnormalized_s = s norm_denom = torch.sqrt( torch.clamp( torch.sum(s ** 2, dim=-1, keepdim=True), min=self.eps, ) ) s = s / norm_denom return unnormalized_s, s class InvariantPointAttention(nn.Module): """ Implements Algorithm 22. """ def __init__( self, c_s: int, c_z: int, c_hidden: int, no_heads: int, no_qk_points: int, no_v_points: int, inf: float = 1e5, eps: float = 1e-8, ): """ Args: c_s: Single representation channel dimension c_z: Pair representation channel dimension c_hidden: Hidden channel dimension no_heads: Number of attention heads no_qk_points: Number of query/key points to generate no_v_points: Number of value points to generate """ super(InvariantPointAttention, self).__init__() self.c_s = c_s self.c_z = c_z self.c_hidden = c_hidden self.no_heads = no_heads self.no_qk_points = no_qk_points self.no_v_points = no_v_points self.inf = inf self.eps = eps # These linear layers differ from their specifications in the # supplement. There, they lack bias and use Glorot initialization. # Here as in the official source, they have bias and use the default # Lecun initialization. hc = self.c_hidden * self.no_heads self.linear_q = Linear(self.c_s, hc) self.linear_kv = Linear(self.c_s, 2 * hc) hpq = self.no_heads * self.no_qk_points * 3 self.linear_q_points = Linear(self.c_s, hpq) hpkv = self.no_heads * (self.no_qk_points + self.no_v_points) * 3 self.linear_kv_points = Linear(self.c_s, hpkv) hpv = self.no_heads * self.no_v_points * 3 self.linear_b = Linear(self.c_z, self.no_heads) self.head_weights = nn.Parameter(torch.zeros((no_heads))) ipa_point_weights_init_(self.head_weights) concat_out_dim = self.no_heads * ( self.c_z + self.c_hidden + self.no_v_points * 4 ) self.linear_out = Linear(concat_out_dim, self.c_s, init="final") self.softmax = nn.Softmax(dim=-1) self.softplus = nn.Softplus() def forward( self, s: torch.Tensor, z: Optional[torch.Tensor], r: Rigid, mask: torch.Tensor, inplace_safe: bool = False, _offload_inference: bool = False, _z_reference_list: Optional[Sequence[torch.Tensor]] = None, ) -> torch.Tensor: """ Args: s: [*, N_res, C_s] single representation z: [*, N_res, N_res, C_z] pair representation r: [*, N_res] transformation object mask: [*, N_res] mask Returns: [*, N_res, C_s] single representation update """ if(_offload_inference and inplace_safe): z = _z_reference_list else: z = [z] ####################################### # Generate scalar and point activations ####################################### # [*, N_res, H * C_hidden] q = self.linear_q(s) kv = self.linear_kv(s) # [*, N_res, H, C_hidden] q = q.view(q.shape[:-1] + (self.no_heads, -1)) # [*, N_res, H, 2 * C_hidden] kv = kv.view(kv.shape[:-1] + (self.no_heads, -1)) # [*, N_res, H, C_hidden] k, v = torch.split(kv, self.c_hidden, dim=-1) # [*, N_res, H * P_q * 3] q_pts = self.linear_q_points(s) # This is kind of clunky, but it's how the original does it # [*, N_res, H * P_q, 3] q_pts = torch.split(q_pts, q_pts.shape[-1] // 3, dim=-1) q_pts = torch.stack(q_pts, dim=-1) q_pts = r[..., None].apply(q_pts) # [*, N_res, H, P_q, 3] q_pts = q_pts.view( q_pts.shape[:-2] + (self.no_heads, self.no_qk_points, 3) ) # [*, N_res, H * (P_q + P_v) * 3] kv_pts = self.linear_kv_points(s) # [*, N_res, H * (P_q + P_v), 3] kv_pts = torch.split(kv_pts, kv_pts.shape[-1] // 3, dim=-1) kv_pts = torch.stack(kv_pts, dim=-1) kv_pts = r[..., None].apply(kv_pts) # [*, N_res, H, (P_q + P_v), 3] kv_pts = kv_pts.view(kv_pts.shape[:-2] + (self.no_heads, -1, 3)) # [*, N_res, H, P_q/P_v, 3] k_pts, v_pts = torch.split( kv_pts, [self.no_qk_points, self.no_v_points], dim=-2 ) ########################## # Compute attention scores ########################## # [*, N_res, N_res, H] b = self.linear_b(z[0]) if(_offload_inference): assert(sys.getrefcount(z[0]) == 2) z[0] = z[0].cpu() # [*, H, N_res, N_res] if(is_fp16_enabled()): with torch.cuda.amp.autocast(enabled=False): a = torch.matmul( permute_final_dims(q.float(), (1, 0, 2)), # [*, H, N_res, C_hidden] permute_final_dims(k.float(), (1, 2, 0)), # [*, H, C_hidden, N_res] ) else: a = torch.matmul( permute_final_dims(q, (1, 0, 2)), # [*, H, N_res, C_hidden] permute_final_dims(k, (1, 2, 0)), # [*, H, C_hidden, N_res] ) a *= math.sqrt(1.0 / (3 * self.c_hidden)) a += (math.sqrt(1.0 / 3) * permute_final_dims(b, (2, 0, 1))) # [*, N_res, N_res, H, P_q, 3] pt_att = q_pts.unsqueeze(-4) - k_pts.unsqueeze(-5) if(inplace_safe): pt_att *= pt_att else: pt_att = pt_att ** 2 # [*, N_res, N_res, H, P_q] pt_att = sum(torch.unbind(pt_att, dim=-1)) head_weights = self.softplus(self.head_weights).view( *((1,) * len(pt_att.shape[:-2]) + (-1, 1)) ) head_weights = head_weights * math.sqrt( 1.0 / (3 * (self.no_qk_points * 9.0 / 2)) ) if(inplace_safe): pt_att *= head_weights else: pt_att = pt_att * head_weights # [*, N_res, N_res, H] pt_att = torch.sum(pt_att, dim=-1) * (-0.5) # [*, N_res, N_res] square_mask = mask.unsqueeze(-1) * mask.unsqueeze(-2) square_mask = self.inf * (square_mask - 1) # [*, H, N_res, N_res] pt_att = permute_final_dims(pt_att, (2, 0, 1)) if(inplace_safe): a += pt_att del pt_att a += square_mask.unsqueeze(-3) # in-place softmax attn_core_inplace_cuda.forward_( a, reduce(mul, a.shape[:-1]), a.shape[-1], ) else: a = a + pt_att a = a + square_mask.unsqueeze(-3) a = self.softmax(a) ################ # Compute output ################ # [*, N_res, H, C_hidden] o = torch.matmul( a, v.transpose(-2, -3).to(dtype=a.dtype) ).transpose(-2, -3) # [*, N_res, H * C_hidden] o = flatten_final_dims(o, 2) # [*, H, 3, N_res, P_v] if(inplace_safe): v_pts = permute_final_dims(v_pts, (1, 3, 0, 2)) o_pt = [ torch.matmul(a, v.to(a.dtype)) for v in torch.unbind(v_pts, dim=-3) ] o_pt = torch.stack(o_pt, dim=-3) else: o_pt = torch.sum( ( a[..., None, :, :, None] * permute_final_dims(v_pts, (1, 3, 0, 2))[..., None, :, :] ), dim=-2, ) # [*, N_res, H, P_v, 3] o_pt = permute_final_dims(o_pt, (2, 0, 3, 1)) o_pt = r[..., None, None].invert_apply(o_pt) # [*, N_res, H * P_v] o_pt_norm = flatten_final_dims( torch.sqrt(torch.sum(o_pt ** 2, dim=-1) + self.eps), 2 ) # [*, N_res, H * P_v, 3] o_pt = o_pt.reshape(*o_pt.shape[:-3], -1, 3) if(_offload_inference): z[0] = z[0].to(o_pt.device) # [*, N_res, H, C_z] o_pair = torch.matmul(a.transpose(-2, -3), z[0].to(dtype=a.dtype)) # [*, N_res, H * C_z] o_pair = flatten_final_dims(o_pair, 2) # [*, N_res, C_s] s = self.linear_out( torch.cat( (o, *torch.unbind(o_pt, dim=-1), o_pt_norm, o_pair), dim=-1 ).to(dtype=z[0].dtype) ) return s class BackboneUpdate(nn.Module): """ Implements part of Algorithm 23. """ def __init__(self, c_s): """ Args: c_s: Single representation channel dimension """ super(BackboneUpdate, self).__init__() self.c_s = c_s self.linear = Linear(self.c_s, 6, init="final") def forward(self, s: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: """ Args: [*, N_res, C_s] single representation Returns: [*, N_res, 6] update vector """ # [*, 6] update = self.linear(s) return update class StructureModuleTransitionLayer(nn.Module): def __init__(self, c): super(StructureModuleTransitionLayer, self).__init__() self.c = c self.linear_1 = Linear(self.c, self.c, init="relu") self.linear_2 = Linear(self.c, self.c, init="relu") self.linear_3 = Linear(self.c, self.c, init="final") self.relu = nn.ReLU() def forward(self, s): s_initial = s s = self.linear_1(s) s = self.relu(s) s = self.linear_2(s) s = self.relu(s) s = self.linear_3(s) s = s + s_initial return s class StructureModuleTransition(nn.Module): def __init__(self, c, num_layers, dropout_rate): super(StructureModuleTransition, self).__init__() self.c = c self.num_layers = num_layers self.dropout_rate = dropout_rate self.layers = nn.ModuleList() for _ in range(self.num_layers): l = StructureModuleTransitionLayer(self.c) self.layers.append(l) self.dropout = nn.Dropout(self.dropout_rate) self.layer_norm = LayerNorm(self.c) def forward(self, s): for l in self.layers: s = l(s) s = self.dropout(s) s = self.layer_norm(s) return s class StructureModule(nn.Module): def __init__( self, c_s, c_z, c_ipa, c_resnet, no_heads_ipa, no_qk_points, no_v_points, dropout_rate, no_blocks, no_transition_layers, no_resnet_blocks, no_angles, trans_scale_factor, epsilon, inf, **kwargs, ): """ Args: c_s: Single representation channel dimension c_z: Pair representation channel dimension c_ipa: IPA hidden channel dimension c_resnet: Angle resnet (Alg. 23 lines 11-14) hidden channel dimension no_heads_ipa: Number of IPA heads no_qk_points: Number of query/key points to generate during IPA no_v_points: Number of value points to generate during IPA dropout_rate: Dropout rate used throughout the layer no_blocks: Number of structure module blocks no_transition_layers: Number of layers in the single representation transition (Alg. 23 lines 8-9) no_resnet_blocks: Number of blocks in the angle resnet no_angles: Number of angles to generate in the angle resnet trans_scale_factor: Scale of single representation transition hidden dimension epsilon: Small number used in angle resnet normalization inf: Large number used for attention masking """ super(StructureModule, self).__init__() self.c_s = c_s self.c_z = c_z self.c_ipa = c_ipa self.c_resnet = c_resnet self.no_heads_ipa = no_heads_ipa self.no_qk_points = no_qk_points self.no_v_points = no_v_points self.dropout_rate = dropout_rate self.no_blocks = no_blocks self.no_transition_layers = no_transition_layers self.no_resnet_blocks = no_resnet_blocks self.no_angles = no_angles self.trans_scale_factor = trans_scale_factor self.epsilon = epsilon self.inf = inf # Buffers to be lazily initialized later # self.default_frames # self.group_idx # self.atom_mask # self.lit_positions self.layer_norm_s = LayerNorm(self.c_s) self.layer_norm_z = LayerNorm(self.c_z) self.linear_in = Linear(self.c_s, self.c_s) self.ipa = InvariantPointAttention( self.c_s, self.c_z, self.c_ipa, self.no_heads_ipa, self.no_qk_points, self.no_v_points, inf=self.inf, eps=self.epsilon, ) self.ipa_dropout = nn.Dropout(self.dropout_rate) self.layer_norm_ipa = LayerNorm(self.c_s) self.transition = StructureModuleTransition( self.c_s, self.no_transition_layers, self.dropout_rate, ) self.bb_update = BackboneUpdate(self.c_s) self.angle_resnet = AngleResnet( self.c_s, self.c_resnet, self.no_resnet_blocks, self.no_angles, self.epsilon, ) def forward( self, evoformer_output_dict, aatype, mask=None, inplace_safe=False, _offload_inference=False, ): """ Args: evoformer_output_dict: Dictionary containing: "single": [*, N_res, C_s] single representation "pair": [*, N_res, N_res, C_z] pair representation aatype: [*, N_res] amino acid indices mask: Optional [*, N_res] sequence mask Returns: A dictionary of outputs """ s = evoformer_output_dict["single"] if mask is None: # [*, N] mask = s.new_ones(s.shape[:-1]) # [*, N, C_s] s = self.layer_norm_s(s) # [*, N, N, C_z] z = self.layer_norm_z(evoformer_output_dict["pair"]) z_reference_list = None if(_offload_inference): assert(sys.getrefcount(evoformer_output_dict["pair"]) == 2) evoformer_output_dict["pair"] = evoformer_output_dict["pair"].cpu() z_reference_list = [z] z = None # [*, N, C_s] s_initial = s s = self.linear_in(s) # [*, N] rigids = Rigid.identity( s.shape[:-1], s.dtype, s.device, self.training, fmt="quat", ) outputs = [] for i in range(self.no_blocks): # [*, N, C_s] s = s + self.ipa( s, z, rigids, mask, inplace_safe=inplace_safe, _offload_inference=_offload_inference, _z_reference_list=z_reference_list ) s = self.ipa_dropout(s) s = self.layer_norm_ipa(s) s = self.transition(s) # [*, N] rigids = rigids.compose_q_update_vec(self.bb_update(s)) # To hew as closely as possible to AlphaFold, we convert our # quaternion-based transformations to rotation-matrix ones # here backb_to_global = Rigid( Rotation( rot_mats=rigids.get_rots().get_rot_mats(), quats=None ), rigids.get_trans(), ) backb_to_global = backb_to_global.scale_translation( self.trans_scale_factor ) # [*, N, 7, 2] unnormalized_angles, angles = self.angle_resnet(s, s_initial) all_frames_to_global = self.torsion_angles_to_frames( backb_to_global, angles, aatype, ) pred_xyz = self.frames_and_literature_positions_to_atom14_pos( all_frames_to_global, aatype, ) scaled_rigids = rigids.scale_translation(self.trans_scale_factor) preds = { "frames": scaled_rigids.to_tensor_7(), "sidechain_frames": all_frames_to_global.to_tensor_4x4(), "unnormalized_angles": unnormalized_angles, "angles": angles, "positions": pred_xyz, "states": s, } outputs.append(preds) rigids = rigids.stop_rot_gradient() del z, z_reference_list if(_offload_inference): evoformer_output_dict["pair"] = ( evoformer_output_dict["pair"].to(s.device) ) outputs = dict_multimap(torch.stack, outputs) outputs["single"] = s return outputs def _init_residue_constants(self, float_dtype, device): if not hasattr(self, "default_frames"): self.register_buffer( "default_frames", torch.tensor( restype_rigid_group_default_frame, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "group_idx"): self.register_buffer( "group_idx", torch.tensor( restype_atom14_to_rigid_group, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "atom_mask"): self.register_buffer( "atom_mask", torch.tensor( restype_atom14_mask, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) if not hasattr(self, "lit_positions"): self.register_buffer( "lit_positions", torch.tensor( restype_atom14_rigid_group_positions, dtype=float_dtype, device=device, requires_grad=False, ), persistent=False, ) def torsion_angles_to_frames(self, r, alpha, f): # Lazily initialize the residue constants on the correct device self._init_residue_constants(alpha.dtype, alpha.device) # Separated purely to make testing less annoying return torsion_angles_to_frames(r, alpha, f, self.default_frames) def frames_and_literature_positions_to_atom14_pos( self, r, f # [*, N, 8] # [*, N] ): # Lazily initialize the residue constants on the correct device self._init_residue_constants(r.get_rots().dtype, r.get_rots().device) return frames_and_literature_positions_to_atom14_pos( r, f, self.default_frames, self.group_idx, self.atom_mask, self.lit_positions, ) ================================================ FILE: vendor/openfold/openfold/model/template.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import math import sys from typing import Optional, List import torch import torch.nn as nn from openfold.model.primitives import Linear, LayerNorm, Attention from openfold.model.dropout import ( DropoutRowwise, DropoutColumnwise, ) from openfold.model.pair_transition import PairTransition from openfold.model.triangular_attention import ( TriangleAttentionStartingNode, TriangleAttentionEndingNode, ) from openfold.model.triangular_multiplicative_update import ( TriangleMultiplicationOutgoing, TriangleMultiplicationIncoming, ) from openfold.utils.checkpointing import checkpoint_blocks from openfold.utils.chunk_utils import ( chunk_layer, ChunkSizeTuner, ) from openfold.utils.feats import ( build_template_angle_feat, build_template_pair_feat, ) from openfold.utils.tensor_utils import ( add, permute_final_dims, flatten_final_dims, tensor_tree_map, ) class TemplatePointwiseAttention(nn.Module): """ Implements Algorithm 17. """ def __init__(self, c_t, c_z, c_hidden, no_heads, inf, **kwargs): """ Args: c_t: Template embedding channel dimension c_z: Pair embedding channel dimension c_hidden: Hidden channel dimension """ super(TemplatePointwiseAttention, self).__init__() self.c_t = c_t self.c_z = c_z self.c_hidden = c_hidden self.no_heads = no_heads self.inf = inf self.mha = Attention( self.c_z, self.c_t, self.c_t, self.c_hidden, self.no_heads, gating=False, ) def _chunk(self, z: torch.Tensor, t: torch.Tensor, biases: List[torch.Tensor], chunk_size: int, use_lma: bool = False, ) -> torch.Tensor: mha_inputs = { "q_x": z, "kv_x": t, "biases": biases, } return chunk_layer( partial(self.mha, use_lma=use_lma), mha_inputs, chunk_size=chunk_size, no_batch_dims=len(z.shape[:-2]), ) def forward(self, t: torch.Tensor, z: torch.Tensor, template_mask: Optional[torch.Tensor] = None, # This module suffers greatly from a small chunk size chunk_size: Optional[int] = 256, use_lma: bool = False, ) -> torch.Tensor: """ Args: t: [*, N_templ, N_res, N_res, C_t] template embedding z: [*, N_res, N_res, C_t] pair embedding template_mask: [*, N_templ] template mask Returns: [*, N_res, N_res, C_z] pair embedding update """ if template_mask is None: template_mask = t.new_ones(t.shape[:-3]) bias = self.inf * (template_mask[..., None, None, None, None, :] - 1) # [*, N_res, N_res, 1, C_z] z = z.unsqueeze(-2) # [*, N_res, N_res, N_temp, C_t] t = permute_final_dims(t, (1, 2, 0, 3)) # [*, N_res, N_res, 1, C_z] biases = [bias] if chunk_size is not None and not self.training: z = self._chunk(z, t, biases, chunk_size, use_lma=use_lma) else: z = self.mha(q_x=z, kv_x=t, biases=biases, use_lma=use_lma) # [*, N_res, N_res, C_z] z = z.squeeze(-2) return z class TemplatePairStackBlock(nn.Module): def __init__( self, c_t: int, c_hidden_tri_att: int, c_hidden_tri_mul: int, no_heads: int, pair_transition_n: int, dropout_rate: float, inf: float, **kwargs, ): super(TemplatePairStackBlock, self).__init__() self.c_t = c_t self.c_hidden_tri_att = c_hidden_tri_att self.c_hidden_tri_mul = c_hidden_tri_mul self.no_heads = no_heads self.pair_transition_n = pair_transition_n self.dropout_rate = dropout_rate self.inf = inf self.dropout_row = DropoutRowwise(self.dropout_rate) self.dropout_col = DropoutColumnwise(self.dropout_rate) self.tri_att_start = TriangleAttentionStartingNode( self.c_t, self.c_hidden_tri_att, self.no_heads, inf=inf, ) self.tri_att_end = TriangleAttentionEndingNode( self.c_t, self.c_hidden_tri_att, self.no_heads, inf=inf, ) self.tri_mul_out = TriangleMultiplicationOutgoing( self.c_t, self.c_hidden_tri_mul, ) self.tri_mul_in = TriangleMultiplicationIncoming( self.c_t, self.c_hidden_tri_mul, ) self.pair_transition = PairTransition( self.c_t, self.pair_transition_n, ) def forward(self, z: torch.Tensor, mask: torch.Tensor, chunk_size: Optional[int] = None, use_lma: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, _attn_chunk_size: Optional[int] = None, ): if(_attn_chunk_size is None): _attn_chunk_size = chunk_size single_templates = [ t.unsqueeze(-4) for t in torch.unbind(z, dim=-4) ] single_templates_masks = [ m.unsqueeze(-3) for m in torch.unbind(mask, dim=-3) ] for i in range(len(single_templates)): single = single_templates[i] single_mask = single_templates_masks[i] single = add(single, self.dropout_row( self.tri_att_start( single, chunk_size=_attn_chunk_size, mask=single_mask, use_lma=use_lma, inplace_safe=inplace_safe, ) ), inplace_safe, ) single = add(single, self.dropout_col( self.tri_att_end( single, chunk_size=_attn_chunk_size, mask=single_mask, use_lma=use_lma, inplace_safe=inplace_safe, ) ), inplace_safe, ) tmu_update = self.tri_mul_out( single, mask=single_mask, inplace_safe=inplace_safe, _add_with_inplace=True, ) if(not inplace_safe): single = single + self.dropout_row(tmu_update) else: single = tmu_update del tmu_update tmu_update = self.tri_mul_in( single, mask=single_mask, inplace_safe=inplace_safe, _add_with_inplace=True, ) if(not inplace_safe): single = single + self.dropout_row(tmu_update) else: single = tmu_update del tmu_update single = add(single, self.pair_transition( single, mask=single_mask if _mask_trans else None, chunk_size=chunk_size, ), inplace_safe, ) if(not inplace_safe): single_templates[i] = single if(not inplace_safe): z = torch.cat(single_templates, dim=-4) return z class TemplatePairStack(nn.Module): """ Implements Algorithm 16. """ def __init__( self, c_t, c_hidden_tri_att, c_hidden_tri_mul, no_blocks, no_heads, pair_transition_n, dropout_rate, blocks_per_ckpt, tune_chunk_size: bool = False, inf=1e9, **kwargs, ): """ Args: c_t: Template embedding channel dimension c_hidden_tri_att: Per-head hidden dimension for triangular attention c_hidden_tri_att: Hidden dimension for triangular multiplication no_blocks: Number of blocks in the stack pair_transition_n: Scale of pair transition (Alg. 15) hidden dimension dropout_rate: Dropout rate used throughout the stack blocks_per_ckpt: Number of blocks per activation checkpoint. None disables activation checkpointing """ super(TemplatePairStack, self).__init__() self.blocks_per_ckpt = blocks_per_ckpt self.blocks = nn.ModuleList() for _ in range(no_blocks): block = TemplatePairStackBlock( c_t=c_t, c_hidden_tri_att=c_hidden_tri_att, c_hidden_tri_mul=c_hidden_tri_mul, no_heads=no_heads, pair_transition_n=pair_transition_n, dropout_rate=dropout_rate, inf=inf, ) self.blocks.append(block) self.layer_norm = LayerNorm(c_t) self.tune_chunk_size = tune_chunk_size self.chunk_size_tuner = None if(tune_chunk_size): self.chunk_size_tuner = ChunkSizeTuner() def forward( self, t: torch.tensor, mask: torch.tensor, chunk_size: int, use_lma: bool = False, inplace_safe: bool = False, _mask_trans: bool = True, ): """ Args: t: [*, N_templ, N_res, N_res, C_t] template embedding mask: [*, N_templ, N_res, N_res] mask Returns: [*, N_templ, N_res, N_res, C_t] template embedding update """ if(mask.shape[-3] == 1): expand_idx = list(mask.shape) expand_idx[-3] = t.shape[-4] mask = mask.expand(*expand_idx) blocks = [ partial( b, mask=mask, chunk_size=chunk_size, use_lma=use_lma, inplace_safe=inplace_safe, _mask_trans=_mask_trans, ) for b in self.blocks ] if(chunk_size is not None and self.chunk_size_tuner is not None): assert(not self.training) tuned_chunk_size = self.chunk_size_tuner.tune_chunk_size( representative_fn=blocks[0], args=(t.clone(),), min_chunk_size=chunk_size, ) blocks = [ partial(b, chunk_size=tuned_chunk_size, _attn_chunk_size=max(chunk_size, tuned_chunk_size // 4), ) for b in blocks ] t, = checkpoint_blocks( blocks=blocks, args=(t,), blocks_per_ckpt=self.blocks_per_ckpt if self.training else None, ) t = self.layer_norm(t) return t def embed_templates_offload( model, batch, z, pair_mask, templ_dim, template_chunk_size=256, inplace_safe=False, ): """ Args: model: An AlphaFold model object batch: An AlphaFold input batch. See documentation of AlphaFold. z: A [*, N, N, C_z] pair embedding pair_mask: A [*, N, N] pair mask templ_dim: The template dimension of the template tensors in batch template_chunk_size: Integer value controlling how quickly the offloaded pair embedding tensor is brought back into GPU memory. In dire straits, can be lowered to reduce memory consumption of this function even more. Returns: A dictionary of template pair and angle embeddings. A version of the "embed_templates" method of the AlphaFold class that offloads the large template pair tensor to CPU. Slower but more frugal with GPU memory than the original. Useful for long-sequence inference. """ # Embed the templates one at a time (with a poor man's vmap) pair_embeds_cpu = [] n = z.shape[-2] n_templ = batch["template_aatype"].shape[templ_dim] for i in range(n_templ): idx = batch["template_aatype"].new_tensor(i) single_template_feats = tensor_tree_map( lambda t: torch.index_select(t, templ_dim, idx).squeeze(templ_dim), batch, ) # [*, N, N, C_t] t = build_template_pair_feat( single_template_feats, use_unit_vector=model.config.template.use_unit_vector, inf=model.config.template.inf, eps=model.config.template.eps, **model.config.template.distogram, ).to(z.dtype) t = model.template_pair_embedder(t) # [*, 1, N, N, C_z] t = model.template_pair_stack( t.unsqueeze(templ_dim), pair_mask.unsqueeze(-3).to(dtype=z.dtype), chunk_size=model.globals.chunk_size, use_lma=model.globals.use_lma, _mask_trans=model.config._mask_trans, ) assert(sys.getrefcount(t) == 2) pair_embeds_cpu.append(t.cpu()) del t # Preallocate the output tensor t = z.new_zeros(z.shape) for i in range(0, n, template_chunk_size): pair_chunks = [ p[..., i: i + template_chunk_size, :, :] for p in pair_embeds_cpu ] pair_chunk = torch.cat(pair_chunks, dim=templ_dim).to(device=z.device) z_chunk = z[..., i: i + template_chunk_size, :, :] att_chunk = model.template_pointwise_att( pair_chunk, z_chunk, template_mask=batch["template_mask"].to(dtype=z.dtype), use_lma=model.globals.use_lma, ) t[..., i: i + template_chunk_size, :, :] = att_chunk del pair_chunks if(inplace_safe): t = t * (torch.sum(batch["template_mask"], dim=-1) > 0) else: t *= (torch.sum(batch["template_mask"], dim=-1) > 0) ret = {} if model.config.template.embed_angles: template_angle_feat = build_template_angle_feat( batch, ) # [*, N, C_m] a = model.template_angle_embedder(template_angle_feat) ret["template_angle_embedding"] = a ret.update({"template_pair_embedding": t}) return ret def embed_templates_average( model, batch, z, pair_mask, templ_dim, templ_group_size=2, inplace_safe=False, ): """ Args: model: An AlphaFold model object batch: An AlphaFold input batch. See documentation of AlphaFold. z: A [*, N, N, C_z] pair embedding pair_mask: A [*, N, N] pair mask templ_dim: The template dimension of the template tensors in batch templ_group_size: Granularity of the approximation. Larger values trade memory for greater proximity to the original function Returns: A dictionary of template pair and angle embeddings. A memory-efficient approximation of the "embed_templates" method of the AlphaFold class. Instead of running pointwise attention over pair embeddings for all of the templates at the same time, it splits templates into groups of size templ_group_size, computes embeddings for each group normally, and then averages the group embeddings. In our experiments, this approximation has a minimal effect on the quality of the resulting embedding, while its low memory footprint allows the number of templates to scale almost indefinitely. """ # Embed the templates one at a time (with a poor man's vmap) n = z.shape[-2] n_templ = batch["template_aatype"].shape[templ_dim] out_tensor = z.new_zeros(z.shape) for i in range(0, n_templ, templ_group_size): def slice_template_tensor(t): s = [slice(None) for _ in t.shape] s[templ_dim] = slice(i, i + templ_group_size) return t[s] template_feats = tensor_tree_map( slice_template_tensor, batch, ) # [*, N, N, C_t] t = build_template_pair_feat( template_feats, use_unit_vector=model.config.template.use_unit_vector, inf=model.config.template.inf, eps=model.config.template.eps, **model.config.template.distogram, ).to(z.dtype) # [*, S_t, N, N, C_z] t = model.template_pair_embedder(t) t = model.template_pair_stack( t, pair_mask.unsqueeze(-3).to(dtype=z.dtype), chunk_size=model.globals.chunk_size, use_lma=model.globals.use_lma, _mask_trans=model.config._mask_trans, ) t = model.template_pointwise_att( t, z, template_mask=template_feats["template_mask"].to(dtype=z.dtype), use_lma=model.globals.use_lma, ) denom = math.ceil(n_templ / templ_group_size) if(inplace_safe): t /= denom else: t = t / denom if(inplace_safe): out_tensor += t else: out_tensor = out_tensor + t del t if(inplace_safe): out_tensor *= (torch.sum(batch["template_mask"], dim=-1) > 0) else: out_tensor = out_tensor * (torch.sum(batch["template_mask"], dim=-1) > 0) ret = {} if model.config.template.embed_angles: template_angle_feat = build_template_angle_feat( batch, ) # [*, N, C_m] a = model.template_angle_embedder(template_angle_feat) ret["template_angle_embedding"] = a ret.update({"template_pair_embedding": out_tensor}) return ret ================================================ FILE: vendor/openfold/openfold/model/torchscript.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from typing import Optional, Sequence, Tuple import torch import torch.nn as nn from openfold.model.dropout import ( DropoutRowwise, DropoutColumnwise, ) from openfold.model.evoformer import ( EvoformerBlock, EvoformerStack, ) from openfold.model.outer_product_mean import OuterProductMean from openfold.model.msa import ( MSARowAttentionWithPairBias, MSAColumnAttention, MSAColumnGlobalAttention, ) from openfold.model.pair_transition import PairTransition from openfold.model.primitives import Attention, GlobalAttention from openfold.model.structure_module import ( InvariantPointAttention, BackboneUpdate, ) from openfold.model.template import TemplatePairStackBlock from openfold.model.triangular_attention import ( TriangleAttentionStartingNode, TriangleAttentionEndingNode, ) from openfold.model.triangular_multiplicative_update import ( TriangleMultiplicationOutgoing, TriangleMultiplicationIncoming, ) def script_preset_(model: torch.nn.Module): """ TorchScript a handful of low-level but frequently used submodule types that are known to be scriptable. Args: model: A torch.nn.Module. It should contain at least some modules from this repository, or this function won't do anything. """ script_submodules_( model, [ nn.Dropout, Attention, GlobalAttention, EvoformerBlock, #TemplatePairStackBlock, ], attempt_trace=False, batch_dims=None, ) def _get_module_device(module: torch.nn.Module) -> torch.device: """ Fetches the device of a module, assuming that all of the module's parameters reside on a single device Args: module: A torch.nn.Module Returns: The module's device """ return next(module.parameters()).device def _trace_module(module, batch_dims=None): if(batch_dims is None): batch_dims = () # Stand-in values n_seq = 10 n_res = 10 device = _get_module_device(module) def msa(channel_dim): return torch.rand( (*batch_dims, n_seq, n_res, channel_dim), device=device, ) def pair(channel_dim): return torch.rand( (*batch_dims, n_res, n_res, channel_dim), device=device, ) if(isinstance(module, MSARowAttentionWithPairBias)): inputs = { "forward": ( msa(module.c_in), # m pair(module.c_z), # z torch.randint( 0, 2, (*batch_dims, n_seq, n_res) ), # mask ), } elif(isinstance(module, MSAColumnAttention)): inputs = { "forward": ( msa(module.c_in), # m torch.randint( 0, 2, (*batch_dims, n_seq, n_res) ), # mask ), } elif(isinstance(module, OuterProductMean)): inputs = { "forward": ( msa(module.c_m), torch.randint( 0, 2, (*batch_dims, n_seq, n_res) ) ) } else: raise TypeError( f"tracing is not supported for modules of type {type(module)}" ) return torch.jit.trace_module(module, inputs) def _script_submodules_helper_( model, types, attempt_trace, to_trace, ): for name, child in model.named_children(): if(types is None or any(isinstance(child, t) for t in types)): try: scripted = torch.jit.script(child) setattr(model, name, scripted) continue except (RuntimeError, torch.jit.frontend.NotSupportedError) as e: if(attempt_trace): to_trace.add(type(child)) else: raise e _script_submodules_helper_(child, types, attempt_trace, to_trace) def _trace_submodules_( model, types, batch_dims=None, ): for name, child in model.named_children(): if(any(isinstance(child, t) for t in types)): traced = _trace_module(child, batch_dims=batch_dims) setattr(model, name, traced) else: _trace_submodules_(child, types, batch_dims=batch_dims) def script_submodules_( model: nn.Module, types: Optional[Sequence[type]] = None, attempt_trace: Optional[bool] = True, batch_dims: Optional[Tuple[int]] = None, ): """ Convert all submodules whose types match one of those in the input list to recursively scripted equivalents in place. To script the entire model, just call torch.jit.script on it directly. When types is None, all submodules are scripted. Args: model: A torch.nn.Module types: A list of types of submodules to script attempt_trace: Whether to attempt to trace specified modules if scripting fails. Recall that tracing eliminates all conditional logic---with great tracing comes the mild responsibility of having to remember to ensure that the modules in question perform the same computations no matter what. """ to_trace = set() # Aggressively script as much as possible first... _script_submodules_helper_(model, types, attempt_trace, to_trace) # ... and then trace stragglers. if(attempt_trace and len(to_trace) > 0): _trace_submodules_(model, to_trace, batch_dims=batch_dims) ================================================ FILE: vendor/openfold/openfold/model/triangular_attention.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partialmethod, partial import math from typing import Optional, List import torch import torch.nn as nn from openfold.model.primitives import Linear, LayerNorm, Attention from openfold.utils.chunk_utils import chunk_layer from openfold.utils.tensor_utils import ( permute_final_dims, flatten_final_dims, ) class TriangleAttention(nn.Module): def __init__( self, c_in, c_hidden, no_heads, starting=True, inf=1e9 ): """ Args: c_in: Input channel dimension c_hidden: Overall hidden channel dimension (not per-head) no_heads: Number of attention heads """ super(TriangleAttention, self).__init__() self.c_in = c_in self.c_hidden = c_hidden self.no_heads = no_heads self.starting = starting self.inf = inf self.layer_norm = LayerNorm(self.c_in) self.linear = Linear(c_in, self.no_heads, bias=False, init="normal") self.mha = Attention( self.c_in, self.c_in, self.c_in, self.c_hidden, self.no_heads ) @torch.jit.ignore def _chunk(self, x: torch.Tensor, biases: List[torch.Tensor], chunk_size: int, use_memory_efficient_kernel: bool = False, use_lma: bool = False, inplace_safe: bool = False, ) -> torch.Tensor: "triangle! triangle!" mha_inputs = { "q_x": x, "kv_x": x, "biases": biases, } return chunk_layer( partial( self.mha, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma ), mha_inputs, chunk_size=chunk_size, no_batch_dims=len(x.shape[:-2]), _out=x if inplace_safe else None, ) def forward(self, x: torch.Tensor, mask: Optional[torch.Tensor] = None, chunk_size: Optional[int] = None, use_memory_efficient_kernel: bool = False, use_lma: bool = False, inplace_safe: bool = False, ) -> torch.Tensor: """ Args: x: [*, I, J, C_in] input tensor (e.g. the pair representation) Returns: [*, I, J, C_in] output tensor """ if mask is None: # [*, I, J] mask = x.new_ones( x.shape[:-1], ) if(not self.starting): x = x.transpose(-2, -3) mask = mask.transpose(-1, -2) # [*, I, J, C_in] x = self.layer_norm(x) # [*, I, 1, 1, J] mask_bias = (self.inf * (mask - 1))[..., :, None, None, :] # [*, H, I, J] triangle_bias = permute_final_dims(self.linear(x), (2, 0, 1)) # [*, 1, H, I, J] triangle_bias = triangle_bias.unsqueeze(-4) biases = [mask_bias, triangle_bias] if chunk_size is not None: x = self._chunk( x, biases, chunk_size, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma, inplace_safe=inplace_safe, ) else: x = self.mha( q_x=x, kv_x=x, biases=biases, use_memory_efficient_kernel=use_memory_efficient_kernel, use_lma=use_lma ) if(not self.starting): x = x.transpose(-2, -3) return x # Implements Algorithm 13 TriangleAttentionStartingNode = TriangleAttention class TriangleAttentionEndingNode(TriangleAttention): """ Implements Algorithm 14. """ __init__ = partialmethod(TriangleAttention.__init__, starting=False) ================================================ FILE: vendor/openfold/openfold/model/triangular_multiplicative_update.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partialmethod from typing import Optional import torch import torch.nn as nn from openfold.model.primitives import Linear, LayerNorm from openfold.utils.chunk_utils import chunk_layer from openfold.utils.precision_utils import is_fp16_enabled from openfold.utils.tensor_utils import add, permute_final_dims class TriangleMultiplicativeUpdate(nn.Module): """ Implements Algorithms 11 and 12. """ def __init__(self, c_z, c_hidden, _outgoing=True): """ Args: c_z: Input channel dimension c: Hidden channel dimension """ super(TriangleMultiplicativeUpdate, self).__init__() self.c_z = c_z self.c_hidden = c_hidden self._outgoing = _outgoing self.linear_a_p = Linear(self.c_z, self.c_hidden) self.linear_a_g = Linear(self.c_z, self.c_hidden, init="gating") self.linear_b_p = Linear(self.c_z, self.c_hidden) self.linear_b_g = Linear(self.c_z, self.c_hidden, init="gating") self.linear_g = Linear(self.c_z, self.c_z, init="gating") self.linear_z = Linear(self.c_hidden, self.c_z, init="final") self.layer_norm_in = LayerNorm(self.c_z) self.layer_norm_out = LayerNorm(self.c_hidden) self.sigmoid = nn.Sigmoid() def _combine_projections(self, a: torch.Tensor, b: torch.Tensor, _inplace_chunk_size: Optional[int] = None ) -> torch.Tensor: if(self._outgoing): a = permute_final_dims(a, (2, 0, 1)) b = permute_final_dims(b, (2, 1, 0)) else: a = permute_final_dims(a, (2, 1, 0)) b = permute_final_dims(b, (2, 0, 1)) if(_inplace_chunk_size is not None): # To be replaced by torch vmap for i in range(0, a.shape[-3], _inplace_chunk_size): a_chunk = a[..., i: i + _inplace_chunk_size, :, :] b_chunk = b[..., i: i + _inplace_chunk_size, :, :] a[..., i: i + _inplace_chunk_size, :, :] = ( torch.matmul( a_chunk, b_chunk, ) ) p = a else: p = torch.matmul(a, b) return permute_final_dims(p, (1, 2, 0)) def _inference_forward(self, z: torch.Tensor, mask: Optional[torch.Tensor] = None, inplace_chunk_size: Optional[int] = None, with_add: bool = True, ): """ Args: z: A [*, N, N, C_z] pair representation mask: A [*, N, N] pair mask inplace_chunk_size: Size of chunks used in the main computation. Increase to trade memory for speed. with_add: If True, z is overwritten with (z + update). Otherwise, it is overwritten with (update). Returns: A reference to the overwritten z More memory-efficient, inference-only version of the forward function. Uses in-place operations, fusion of the addition that happens after this module in the Evoformer, a smidge of recomputation, and a cache of overwritten values to lower peak memory consumption of this module from 5x the size of the input tensor z to 2.5x its size. Useful for inference on extremely long sequences. It works as follows. We will make reference to variables used in the default forward implementation below. Naively, triangle multiplication attention requires the manifestation of 5 tensors the size of z: 1) z, the "square" input tensor, 2) a, the first projection of z, 3) b, the second projection of b, 4) g, a z-sized mask, and 5) a z-sized tensor for intermediate computations. For large N, this is prohibitively expensive; for N=4000, for example, z is more than 8GB alone. To avoid this problem, we compute b, g, and all intermediate tensors in small chunks, noting that the chunks required to compute a chunk of the output depend only on the tensor a and corresponding vertical and horizontal chunks of z. This suggests an algorithm that loops over pairs of chunks of z: hereafter "columns" and "rows" of z, even though each "column" and "row" in fact contains inplace_chunk_size contiguous true columns and rows of z. Writing output chunks to a new tensor would bring total memory consumption down to 3x the size of z. However, more memory can be saved by writing output chunks directly to z in-place. WLOG, we choose to write output chunks vertically, overwriting the ith "column" of z at the end of the ith iteration of the main loop. Despite this overwriting, the ith column is always one column ahead of previously overwritten columns and can be recovered directly from z. After the first iteration, however, the ith row of z is always at least partially overwritten. For this reason, we introduce the z-cache, a tensor one-half the size of z. The z-cache initially contains the left half (2nd and 3rd quadrants) of z. For 0 < i < N/2, the missing left part of the ith row of z is recovered from this cache at the beginning of the ith iteration. Once i exceeds n/2, the cache is "reoriented" to encompass the 3rd and 4th quadrants of z instead. Though the 3rd quadrant of the original z is entirely overwritten at this point, it can be recovered from the z-cache itself. Thereafter, the ith row of z can be recovered in its entirety from the reoriented z-cache. After the final iteration, z has been completely overwritten and contains the triangular multiplicative update. If with_add is True, it instead contains the sum of z and the triangular multiplicative update. In either case, peak memory consumption is just 2.5x the size of z, disregarding memory used for chunks and other small variables. """ if mask is None: mask = z.new_ones(z.shape[:-1]) mask = mask.unsqueeze(-1) def compute_projection_helper(pair, mask, a=True): if(a): linear_g = self.linear_a_g linear_p = self.linear_a_p else: linear_g = self.linear_b_g linear_p = self.linear_b_p pair = self.layer_norm_in(pair) p = linear_g(pair) p.sigmoid_() p *= linear_p(pair) p *= mask p = permute_final_dims(p, (2, 0, 1)) return p def compute_projection(pair, mask, a=True, chunked=True): need_transpose = self._outgoing ^ a if(not chunked): p = compute_projection_helper(pair, mask, a) if(need_transpose): p = p.transpose(-1, -2) else: # This computation is chunked so as not to exceed our 2.5x # budget with a large intermediate tensor linear_g = self.linear_a_g if a else self.linear_b_g c = linear_g.bias.shape[-1] out_shape = pair.shape[:-3] + (c,) + pair.shape[-3:-1] p = pair.new_zeros(out_shape) for i in range(0, pair.shape[-3], inplace_chunk_size): pair_chunk = pair[..., i: i + inplace_chunk_size, :, :] mask_chunk = mask[..., i: i + inplace_chunk_size, :, :] pair_chunk = compute_projection_helper( pair[..., i: i + inplace_chunk_size, :, :], mask[..., i: i + inplace_chunk_size, :, :], a, ) if(need_transpose): pair_chunk = pair_chunk.transpose(-1, -2) p[..., i: i + inplace_chunk_size] = pair_chunk else: p[..., i: i + inplace_chunk_size, :] = pair_chunk del pair_chunk return p # We start by fully manifesting a. In addition to the input, this # brings total memory consumption to 2x z (disregarding size of chunks) # [*, N, N, c] a = compute_projection(z, mask, True, chunked=True) if(inplace_chunk_size is not None): n = a.shape[-1] half_n = n // 2 + n % 2 row_dim = -3 col_dim = -2 b_chunk_dim = row_dim if self._outgoing else col_dim def empty_slicer(t): return [slice(None) for _ in t.shape] def slice_tensor(t, start, end, dim): # Slices start:end from the dim dimension of t s = empty_slicer(t) s[dim] = slice(start, end) return t[s] def flip_z_cache_(z_cache, z): # "Reorient" the z_cache (see below), filling it with quadrants # 3---recovered from the z_cache---and 4---recovered from z--- # of the input tensor z. quadrant_3 = slice_tensor( z_cache, half_n, None, row_dim ) z_cache = z_cache.transpose(row_dim, col_dim) # If n is odd, we need to shrink the z_cache by one row z_cache = z_cache[..., :(n // 2), :, :] # Move the 3rd quadrant of z into the first_half_slicer = empty_slicer(z_cache) first_half_slicer[col_dim] = slice(0, half_n) z_cache[first_half_slicer] = quadrant_3 # Get the fourth quadrant of z quadrant_4 = slice_tensor(z, half_n, None, row_dim) quadrant_4 = slice_tensor( quadrant_4, half_n, None, col_dim ) # Insert said quadrant into the rotated z-cache quadrant_3_slicer = empty_slicer(z_cache) quadrant_3_slicer[col_dim] = slice(half_n, None) z_cache[quadrant_3_slicer] = quadrant_4 return z_cache # Initialize the z cache to the left half of z. z_cache_shape = list(z.shape) z_cache_shape[col_dim] = half_n z_cache = z.new_zeros(z_cache_shape) z_cache_slicer = empty_slicer(z_cache) z_cache_slicer[col_dim] = slice(0, half_n) z_cache.copy_(z[z_cache_slicer]) z_cache_rotated = False # We need to reorient the z-cache at the halfway point, and we # don't want a single chunk to straddle that point. We contract one # of the chunks in the middle to address that problem. i_range = list(range(0, half_n, inplace_chunk_size)) initial_offsets = [ i_2 - i_1 for i_1, i_2 in zip(i_range, i_range[1:] + [half_n]) ] after_half = list(range(half_n, n, inplace_chunk_size)) after_half_offsets = [inplace_chunk_size for _ in after_half] combined_range_with_offsets = zip( i_range + after_half, initial_offsets + after_half_offsets ) for i, offset in combined_range_with_offsets: if(not z_cache_rotated and i >= half_n): z_cache = flip_z_cache_(z_cache, z) z_cache_rotated = True z_chunk_b = slice_tensor( z, i, i + offset, b_chunk_dim, ) mask_chunk = slice_tensor( mask, i, i + offset, b_chunk_dim, ) z_chunk_b = z_chunk_b.clone() if(b_chunk_dim == col_dim): z_chunk_b = slice_tensor( z, i, i + offset, col_dim ) else: # b_chunk_dim == row_dim # In this case, the b-dimension (b_chunk_dim) is partially # overwritten at the end of each iteration. We need to # restore the missing component from the z-cache. if(not z_cache_rotated): z_chunk_slicer = empty_slicer(z_chunk_b) z_chunk_slicer[col_dim] = slice(0, half_n) z_chunk_b[z_chunk_slicer] = slice_tensor( z_cache, i, i + offset, row_dim, ) else: z_cache_offset = i - half_n z_chunk_b = slice_tensor( z_cache, z_cache_offset, z_cache_offset + offset, row_dim ) b_chunk = compute_projection( z_chunk_b, mask_chunk, a=False, chunked=False ) del z_chunk_b x_chunk = torch.matmul( a, b_chunk, ) x_chunk = permute_final_dims(x_chunk, (1, 2, 0)) x_chunk = self.layer_norm_out(x_chunk) x_chunk = self.linear_z(x_chunk) # The g dimension (col_dim) is parallel to and ahead of the # overwrites in z. We can extract the g chunk normally. z_chunk_g = slice_tensor( z, i, i + offset, col_dim ) g_chunk = self.linear_g(self.layer_norm_in(z_chunk_g)) g_chunk.sigmoid_() del z_chunk_g x_chunk *= g_chunk # Write the columns into z in-place z_slicer = empty_slicer(z) z_slicer[col_dim] = slice(i, i + offset) if(with_add): z[z_slicer] += x_chunk else: z[z_slicer] = x_chunk else: b = compute_projection(z, mask, False, False) x = torch.matmul(a, b) x = self.layer_norm_out(x) x = self.linear_z(x) g = self.linear_g(z) g.sigmoid_() x *= g if(with_add): z += x else: z = x return z def forward(self, z: torch.Tensor, mask: Optional[torch.Tensor] = None, inplace_safe: bool = False, _add_with_inplace: bool = False, _inplace_chunk_size: Optional[int] = 256, ) -> torch.Tensor: """ Args: x: [*, N_res, N_res, C_z] input tensor mask: [*, N_res, N_res] input mask Returns: [*, N_res, N_res, C_z] output tensor """ if(inplace_safe): x = self._inference_forward( z, mask, inplace_chunk_size=_inplace_chunk_size, with_add=_add_with_inplace, ) return x if mask is None: mask = z.new_ones(z.shape[:-1]) mask = mask.unsqueeze(-1) z = self.layer_norm_in(z) a = mask a = a * self.sigmoid(self.linear_a_g(z)) a = a * self.linear_a_p(z) b = mask b = b * self.sigmoid(self.linear_b_g(z)) b = b * self.linear_b_p(z) # Prevents overflow of torch.matmul in combine projections in # reduced-precision modes a_std = a.std() b_std = b.std() if(a_std != 0. and b_std != 0.): a = a / a.std() b = b / b.std() if(is_fp16_enabled()): with torch.cuda.amp.autocast(enabled=False): x = self._combine_projections(a.float(), b.float()) else: x = self._combine_projections(a, b) del a, b x = self.layer_norm_out(x) x = self.linear_z(x) g = self.sigmoid(self.linear_g(z)) x = x * g return x class TriangleMultiplicationOutgoing(TriangleMultiplicativeUpdate): """ Implements Algorithm 11. """ __init__ = partialmethod(TriangleMultiplicativeUpdate.__init__, _outgoing=True) class TriangleMultiplicationIncoming(TriangleMultiplicativeUpdate): """ Implements Algorithm 12. """ __init__ = partialmethod(TriangleMultiplicativeUpdate.__init__, _outgoing=False) ================================================ FILE: vendor/openfold/openfold/np/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/np/protein.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Protein data type.""" import dataclasses import io from typing import Any, Sequence, Mapping, Optional import re import string from openfold.np import residue_constants from Bio.PDB import PDBParser import numpy as np import modelcif import modelcif.model import modelcif.dumper import modelcif.reference import modelcif.protocol import modelcif.alignment import modelcif.qa_metric FeatureDict = Mapping[str, np.ndarray] ModelOutput = Mapping[str, Any] # Is a nested dict. PICO_TO_ANGSTROM = 0.01 @dataclasses.dataclass(frozen=True) class Protein: """Protein structure representation.""" # Cartesian coordinates of atoms in angstroms. The atom types correspond to # residue_constants.atom_types, i.e. the first three are N, CA, CB. atom_positions: np.ndarray # [num_res, num_atom_type, 3] # Amino-acid type for each residue represented as an integer between 0 and # 20, where 20 is 'X'. aatype: np.ndarray # [num_res] # Binary float mask to indicate presence of a particular atom. 1.0 if an atom # is present and 0.0 if not. This should be used for loss masking. atom_mask: np.ndarray # [num_res, num_atom_type] # Residue index as used in PDB. It is not necessarily continuous or 0-indexed. residue_index: np.ndarray # [num_res] # B-factors, or temperature factors, of each residue (in sq. angstroms units), # representing the displacement of the residue from its ground truth mean # value. b_factors: np.ndarray # [num_res, num_atom_type] # Chain indices for multi-chain predictions chain_index: Optional[np.ndarray] = None # Optional remark about the protein. Included as a comment in output PDB # files remark: Optional[str] = None # Templates used to generate this protein (prediction-only) parents: Optional[Sequence[str]] = None # Chain corresponding to each parent parents_chain_index: Optional[Sequence[int]] = None def from_pdb_string(pdb_str: str, chain_id: Optional[str] = None) -> Protein: """Takes a PDB string and constructs a Protein object. WARNING: All non-standard residue types will be converted into UNK. All non-standard atoms will be ignored. Args: pdb_str: The contents of the pdb file chain_id: If None, then the whole pdb file is parsed. If chain_id is specified (e.g. A), then only that chain is parsed. Returns: A new `Protein` parsed from the pdb contents. """ pdb_fh = io.StringIO(pdb_str) parser = PDBParser(QUIET=True) structure = parser.get_structure("none", pdb_fh) models = list(structure.get_models()) if len(models) != 1: raise ValueError( f"Only single model PDBs are supported. Found {len(models)} models." ) model = models[0] atom_positions = [] aatype = [] atom_mask = [] residue_index = [] chain_ids = [] b_factors = [] for chain in model: if(chain_id is not None and chain.id != chain_id): continue for res in chain: if res.id[2] != " ": raise ValueError( f"PDB contains an insertion code at chain {chain.id} and residue " f"index {res.id[1]}. These are not supported." ) res_shortname = residue_constants.restype_3to1.get(res.resname, "X") restype_idx = residue_constants.restype_order.get( res_shortname, residue_constants.restype_num ) pos = np.zeros((residue_constants.atom_type_num, 3)) mask = np.zeros((residue_constants.atom_type_num,)) res_b_factors = np.zeros((residue_constants.atom_type_num,)) for atom in res: if atom.name not in residue_constants.atom_types: continue pos[residue_constants.atom_order[atom.name]] = atom.coord mask[residue_constants.atom_order[atom.name]] = 1.0 res_b_factors[ residue_constants.atom_order[atom.name] ] = atom.bfactor if np.sum(mask) < 0.5: # If no known atom positions are reported for the residue then skip it. continue aatype.append(restype_idx) atom_positions.append(pos) atom_mask.append(mask) residue_index.append(res.id[1]) chain_ids.append(chain.id) b_factors.append(res_b_factors) parents = None parents_chain_index = None if("PARENT" in pdb_str): parents = [] parents_chain_index = [] chain_id = 0 for l in pdb_str.split("\n"): if("PARENT" in l): if(not "N/A" in l): parent_names = l.split()[1:] parents.extend(parent_names) parents_chain_index.extend([ chain_id for _ in parent_names ]) chain_id += 1 unique_chain_ids = np.unique(chain_ids) chain_id_mapping = {cid: n for n, cid in enumerate(string.ascii_uppercase)} chain_index = np.array([chain_id_mapping[cid] for cid in chain_ids]) return Protein( atom_positions=np.array(atom_positions), atom_mask=np.array(atom_mask), aatype=np.array(aatype), residue_index=np.array(residue_index), chain_index=chain_index, b_factors=np.array(b_factors), parents=parents, parents_chain_index=parents_chain_index, ) def from_proteinnet_string(proteinnet_str: str) -> Protein: tag_re = r'(\[[A-Z]+\]\n)' tags = [ tag.strip() for tag in re.split(tag_re, proteinnet_str) if len(tag) > 0 ] groups = zip(tags[0::2], [l.split('\n') for l in tags[1::2]]) atoms = ['N', 'CA', 'C'] aatype = None atom_positions = None atom_mask = None for g in groups: if("[PRIMARY]" == g[0]): seq = g[1][0].strip() for i in range(len(seq)): if(seq[i] not in residue_constants.restypes): seq[i] = 'X' aatype = np.array([ residue_constants.restype_order.get( res_symbol, residue_constants.restype_num ) for res_symbol in seq ]) elif("[TERTIARY]" == g[0]): tertiary = [] for axis in range(3): tertiary.append(list(map(float, g[1][axis].split()))) tertiary_np = np.array(tertiary) atom_positions = np.zeros( (len(tertiary[0])//3, residue_constants.atom_type_num, 3) ).astype(np.float32) for i, atom in enumerate(atoms): atom_positions[:, residue_constants.atom_order[atom], :] = ( np.transpose(tertiary_np[:, i::3]) ) atom_positions *= PICO_TO_ANGSTROM elif("[MASK]" == g[0]): mask = np.array(list(map({'-': 0, '+': 1}.get, g[1][0].strip()))) atom_mask = np.zeros( (len(mask), residue_constants.atom_type_num,) ).astype(np.float32) for i, atom in enumerate(atoms): atom_mask[:, residue_constants.atom_order[atom]] = 1 atom_mask *= mask[..., None] return Protein( atom_positions=atom_positions, atom_mask=atom_mask, aatype=aatype, residue_index=np.arange(len(aatype)), b_factors=None, ) def get_pdb_headers(prot: Protein, chain_id: int = 0) -> Sequence[str]: pdb_headers = [] remark = prot.remark if(remark is not None): pdb_headers.append(f"REMARK {remark}") parents = prot.parents parents_chain_index = prot.parents_chain_index if(parents_chain_index is not None): parents = [ p for i, p in zip(parents_chain_index, parents) if i == chain_id ] if(parents is None or len(parents) == 0): parents = ["N/A"] pdb_headers.append(f"PARENT {' '.join(parents)}") return pdb_headers def add_pdb_headers(prot: Protein, pdb_str: str) -> str: """ Add pdb headers to an existing PDB string. Useful during multi-chain recycling """ out_pdb_lines = [] lines = pdb_str.split('\n') remark = prot.remark if(remark is not None): out_pdb_lines.append(f"REMARK {remark}") parents_per_chain = None if(prot.parents is not None and len(prot.parents) > 0): parents_per_chain = [] if(prot.parents_chain_index is not None): cur_chain = prot.parents_chain_index[0] parent_dict = {} for p, i in zip(prot.parents, prot.parents_chain_index): parent_dict.setdefault(str(i), []) parent_dict[str(i)].append(p) max_idx = max([int(chain_idx) for chain_idx in parent_dict]) for i in range(max_idx + 1): chain_parents = parent_dict.get(str(i), ["N/A"]) parents_per_chain.append(chain_parents) else: parents_per_chain.append(prot.parents) else: parents_per_chain = [["N/A"]] make_parent_line = lambda p: f"PARENT {' '.join(p)}" out_pdb_lines.append(make_parent_line(parents_per_chain[0])) chain_counter = 0 for i, l in enumerate(lines): if("PARENT" not in l and "REMARK" not in l): out_pdb_lines.append(l) if("TER" in l and not "END" in lines[i + 1]): chain_counter += 1 if(not chain_counter >= len(parents_per_chain)): chain_parents = parents_per_chain[chain_counter] else: chain_parents = ["N/A"] out_pdb_lines.append(make_parent_line(chain_parents)) return '\n'.join(out_pdb_lines) def to_pdb(prot: Protein) -> str: """Converts a `Protein` instance to a PDB string. Args: prot: The protein to convert to PDB. Returns: PDB string. """ restypes = residue_constants.restypes + ["X"] res_1to3 = lambda r: residue_constants.restype_1to3.get(restypes[r], "UNK") atom_types = residue_constants.atom_types pdb_lines = [] atom_mask = prot.atom_mask aatype = prot.aatype atom_positions = prot.atom_positions residue_index = prot.residue_index.astype(np.int32) b_factors = prot.b_factors chain_index = prot.chain_index if np.any(aatype > residue_constants.restype_num): raise ValueError("Invalid aatypes.") headers = get_pdb_headers(prot) if(len(headers) > 0): pdb_lines.extend(headers) n = aatype.shape[0] atom_index = 1 prev_chain_index = 0 chain_tags = string.ascii_uppercase # Add all atom sites. for i in range(n): res_name_3 = res_1to3(aatype[i]) for atom_name, pos, mask, b_factor in zip( atom_types, atom_positions[i], atom_mask[i], b_factors[i] ): if mask < 0.5: continue record_type = "ATOM" name = atom_name if len(atom_name) == 4 else f" {atom_name}" alt_loc = "" insertion_code = "" occupancy = 1.00 element = atom_name[ 0 ] # Protein supports only C, N, O, S, this works. charge = "" chain_tag = "A" if(chain_index is not None): chain_tag = chain_tags[chain_index[i]] # PDB is a columnar format, every space matters here! atom_line = ( f"{record_type:<6}{atom_index:>5} {name:<4}{alt_loc:>1}" f"{res_name_3:>3} {chain_tag:>1}" f"{residue_index[i]:>4}{insertion_code:>1} " f"{pos[0]:>8.3f}{pos[1]:>8.3f}{pos[2]:>8.3f}" f"{occupancy:>6.2f}{b_factor:>6.2f} " f"{element:>2}{charge:>2}" ) pdb_lines.append(atom_line) atom_index += 1 should_terminate = (i == n - 1) if(chain_index is not None): if(i != n - 1 and chain_index[i + 1] != prev_chain_index): should_terminate = True prev_chain_index = chain_index[i + 1] if(should_terminate): # Close the chain. chain_end = "TER" chain_termination_line = ( f"{chain_end:<6}{atom_index:>5} " f"{res_1to3(aatype[i]):>3} " f"{chain_tag:>1}{residue_index[i]:>4}" ) pdb_lines.append(chain_termination_line) atom_index += 1 if(i != n - 1): # "prev" is a misnomer here. This happens at the beginning of # each new chain. pdb_lines.extend(get_pdb_headers(prot, prev_chain_index)) pdb_lines.append("END") pdb_lines.append("") return "\n".join(pdb_lines) def to_modelcif(prot: Protein) -> str: """ Converts a `Protein` instance to a ModelCIF string. Chains with identical modelled coordinates will be treated as the same polymer entity. But note that if chains differ in modelled regions, no attempt is made at identifying them as a single polymer entity. Args: prot: The protein to convert to PDB. Returns: ModelCIF string. """ restypes = residue_constants.restypes + ["X"] atom_types = residue_constants.atom_types atom_mask = prot.atom_mask aatype = prot.aatype atom_positions = prot.atom_positions residue_index = prot.residue_index.astype(np.int32) b_factors = prot.b_factors chain_index = prot.chain_index n = aatype.shape[0] if chain_index is None: chain_index = [0 for i in range(n)] system = modelcif.System(title='OpenFold prediction') # Finding chains and creating entities seqs = {} seq = [] last_chain_idx = None for i in range(n): if last_chain_idx is not None and last_chain_idx != chain_index[i]: seqs[last_chain_idx] = seq seq = [] seq.append(restypes[aatype[i]]) last_chain_idx = chain_index[i] # finally add the last chain seqs[last_chain_idx] = seq # now reduce sequences to unique ones (note this won't work if different asyms have different unmodelled regions) unique_seqs = {} for chain_idx, seq_list in seqs.items(): seq = "".join(seq_list) if seq in unique_seqs: unique_seqs[seq].append(chain_idx) else: unique_seqs[seq] = [chain_idx] # adding 1 entity per unique sequence entities_map = {} for key, value in unique_seqs.items(): model_e = modelcif.Entity(key, description='Model subunit') for chain_idx in value: entities_map[chain_idx] = model_e chain_tags = string.ascii_uppercase asym_unit_map = {} for chain_idx in set(chain_index): # Define the model assembly chain_id = chain_tags[chain_idx] asym = modelcif.AsymUnit(entities_map[chain_idx], details='Model subunit %s' % chain_id, id=chain_id) asym_unit_map[chain_idx] = asym modeled_assembly = modelcif.Assembly(asym_unit_map.values(), name='Modeled assembly') class _LocalPLDDT(modelcif.qa_metric.Local, modelcif.qa_metric.PLDDT): name = "pLDDT" software = None description = "Predicted lddt" class _GlobalPLDDT(modelcif.qa_metric.Global, modelcif.qa_metric.PLDDT): name = "pLDDT" software = None description = "Global pLDDT, mean of per-residue pLDDTs" class _MyModel(modelcif.model.AbInitioModel): def get_atoms(self): # Add all atom sites. for i in range(n): for atom_name, pos, mask, b_factor in zip( atom_types, atom_positions[i], atom_mask[i], b_factors[i] ): if mask < 0.5: continue element = atom_name[0] # Protein supports only C, N, O, S, this works. yield modelcif.model.Atom( asym_unit=asym_unit_map[chain_index[i]], type_symbol=element, seq_id=residue_index[i], atom_id=atom_name, x=pos[0], y=pos[1], z=pos[2], het=False, biso=b_factor, occupancy=1.00) def add_scores(self): # local scores plddt_per_residue = {} for i in range(n): for mask, b_factor in zip(atom_mask[i], b_factors[i]): if mask < 0.5: continue # add 1 per residue, not 1 per atom if chain_index[i] not in plddt_per_residue: # first time a chain index is seen: add the key and start the residue dict plddt_per_residue[chain_index[i]] = {residue_index[i]: b_factor} if residue_index[i] not in plddt_per_residue[chain_index[i]]: plddt_per_residue[chain_index[i]][residue_index[i]] = b_factor plddts = [] for chain_idx in plddt_per_residue: for residue_idx in plddt_per_residue[chain_idx]: plddt = plddt_per_residue[chain_idx][residue_idx] plddts.append(plddt) self.qa_metrics.append( _LocalPLDDT(asym_unit_map[chain_idx].residue(residue_idx), plddt)) # global score self.qa_metrics.append((_GlobalPLDDT(np.mean(plddts)))) # Add the model and modeling protocol to the file and write them out: model = _MyModel(assembly=modeled_assembly, name='Best scoring model') model.add_scores() model_group = modelcif.model.ModelGroup([model], name='All models') system.model_groups.append(model_group) fh = io.StringIO() modelcif.dumper.write(fh, [system]) return fh.getvalue() def ideal_atom_mask(prot: Protein) -> np.ndarray: """Computes an ideal atom mask. `Protein.atom_mask` typically is defined according to the atoms that are reported in the PDB. This function computes a mask according to heavy atoms that should be present in the given sequence of amino acids. Args: prot: `Protein` whose fields are `numpy.ndarray` objects. Returns: An ideal atom mask. """ return residue_constants.STANDARD_ATOM_MASK[prot.aatype] def from_prediction( features: FeatureDict, result: ModelOutput, b_factors: Optional[np.ndarray] = None, chain_index: Optional[np.ndarray] = None, remark: Optional[str] = None, parents: Optional[Sequence[str]] = None, parents_chain_index: Optional[Sequence[int]] = None ) -> Protein: """Assembles a protein from a prediction. Args: features: Dictionary holding model inputs. result: Dictionary holding model outputs. b_factors: (Optional) B-factors to use for the protein. chain_index: (Optional) Chain indices for multi-chain predictions remark: (Optional) Remark about the prediction parents: (Optional) List of template names Returns: A protein instance. """ if b_factors is None: b_factors = np.zeros_like(result["final_atom_mask"]) return Protein( aatype=features["aatype"], atom_positions=result["final_atom_positions"], atom_mask=result["final_atom_mask"], residue_index=features["residue_index"] + 1, b_factors=b_factors, chain_index=chain_index, remark=remark, parents=parents, parents_chain_index=parents_chain_index, ) ================================================ FILE: vendor/openfold/openfold/np/relax/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/np/relax/amber_minimize.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Restrained Amber Minimization of a structure.""" import io import time from typing import Collection, Optional, Sequence from absl import logging from openfold.np import ( protein, residue_constants, ) import openfold.utils.loss as loss from openfold.np.relax import cleanup, utils import ml_collections import numpy as np import openmm from openmm import unit from openmm import app as openmm_app from openmm.app.internal.pdbstructure import PdbStructure ENERGY = unit.kilocalories_per_mole LENGTH = unit.angstroms def will_restrain(atom: openmm_app.Atom, rset: str) -> bool: """Returns True if the atom will be restrained by the given restraint set.""" if rset == "non_hydrogen": return atom.element.name != "hydrogen" elif rset == "c_alpha": return atom.name == "CA" def _add_restraints( system: openmm.System, reference_pdb: openmm_app.PDBFile, stiffness: unit.Unit, rset: str, exclude_residues: Sequence[int], ): """Adds a harmonic potential that restrains the system to a structure.""" assert rset in ["non_hydrogen", "c_alpha"] force = openmm.CustomExternalForce( "0.5 * k * ((x-x0)^2 + (y-y0)^2 + (z-z0)^2)" ) force.addGlobalParameter("k", stiffness) for p in ["x0", "y0", "z0"]: force.addPerParticleParameter(p) for i, atom in enumerate(reference_pdb.topology.atoms()): if atom.residue.index in exclude_residues: continue if will_restrain(atom, rset): force.addParticle(i, reference_pdb.positions[i]) logging.info( "Restraining %d / %d particles.", force.getNumParticles(), system.getNumParticles(), ) system.addForce(force) def _openmm_minimize( pdb_str: str, max_iterations: int, tolerance: unit.Unit, stiffness: unit.Unit, restraint_set: str, exclude_residues: Sequence[int], use_gpu: bool, ): """Minimize energy via openmm.""" pdb_file = io.StringIO(pdb_str) pdb = openmm_app.PDBFile(pdb_file) force_field = openmm_app.ForceField("amber99sb.xml") constraints = openmm_app.HBonds system = force_field.createSystem(pdb.topology, constraints=constraints) if stiffness > 0 * ENERGY / (LENGTH ** 2): _add_restraints(system, pdb, stiffness, restraint_set, exclude_residues) integrator = openmm.LangevinIntegrator(0, 0.01, 0.0) platform = openmm.Platform.getPlatformByName("CUDA" if use_gpu else "CPU") simulation = openmm_app.Simulation( pdb.topology, system, integrator, platform ) simulation.context.setPositions(pdb.positions) ret = {} state = simulation.context.getState(getEnergy=True, getPositions=True) ret["einit"] = state.getPotentialEnergy().value_in_unit(ENERGY) ret["posinit"] = state.getPositions(asNumpy=True).value_in_unit(LENGTH) simulation.minimizeEnergy(maxIterations=max_iterations, tolerance=tolerance) state = simulation.context.getState(getEnergy=True, getPositions=True) ret["efinal"] = state.getPotentialEnergy().value_in_unit(ENERGY) ret["pos"] = state.getPositions(asNumpy=True).value_in_unit(LENGTH) ret["min_pdb"] = _get_pdb_string(simulation.topology, state.getPositions()) return ret def _get_pdb_string(topology: openmm_app.Topology, positions: unit.Quantity): """Returns a pdb string provided OpenMM topology and positions.""" with io.StringIO() as f: openmm_app.PDBFile.writeFile(topology, positions, f) return f.getvalue() def _check_cleaned_atoms(pdb_cleaned_string: str, pdb_ref_string: str): """Checks that no atom positions have been altered by cleaning.""" cleaned = openmm_app.PDBFile(io.StringIO(pdb_cleaned_string)) reference = openmm_app.PDBFile(io.StringIO(pdb_ref_string)) cl_xyz = np.array(cleaned.getPositions().value_in_unit(LENGTH)) ref_xyz = np.array(reference.getPositions().value_in_unit(LENGTH)) for ref_res, cl_res in zip( reference.topology.residues(), cleaned.topology.residues() ): assert ref_res.name == cl_res.name for rat in ref_res.atoms(): for cat in cl_res.atoms(): if cat.name == rat.name: if not np.array_equal( cl_xyz[cat.index], ref_xyz[rat.index] ): raise ValueError( f"Coordinates of cleaned atom {cat} do not match " f"coordinates of reference atom {rat}." ) def _check_residues_are_well_defined(prot: protein.Protein): """Checks that all residues contain non-empty atom sets.""" if (prot.atom_mask.sum(axis=-1) == 0).any(): raise ValueError( "Amber minimization can only be performed on proteins with" " well-defined residues. This protein contains at least" " one residue with no atoms." ) def _check_atom_mask_is_ideal(prot): """Sanity-check the atom mask is ideal, up to a possible OXT.""" atom_mask = prot.atom_mask ideal_atom_mask = protein.ideal_atom_mask(prot) utils.assert_equal_nonterminal_atom_types(atom_mask, ideal_atom_mask) def clean_protein(prot: protein.Protein, checks: bool = True): """Adds missing atoms to Protein instance. Args: prot: A `protein.Protein` instance. checks: A `bool` specifying whether to add additional checks to the cleaning process. Returns: pdb_string: A string of the cleaned protein. """ _check_atom_mask_is_ideal(prot) # Clean pdb. prot_pdb_string = protein.to_pdb(prot) pdb_file = io.StringIO(prot_pdb_string) alterations_info = {} fixed_pdb = cleanup.fix_pdb(pdb_file, alterations_info) fixed_pdb_file = io.StringIO(fixed_pdb) pdb_structure = PdbStructure(fixed_pdb_file) cleanup.clean_structure(pdb_structure, alterations_info) logging.info("alterations info: %s", alterations_info) # Write pdb file of cleaned structure. as_file = openmm_app.PDBFile(pdb_structure) pdb_string = _get_pdb_string(as_file.getTopology(), as_file.getPositions()) if checks: _check_cleaned_atoms(pdb_string, prot_pdb_string) headers = protein.get_pdb_headers(prot) if(len(headers) > 0): pdb_string = '\n'.join(['\n'.join(headers), pdb_string]) return pdb_string def make_atom14_positions(prot): """Constructs denser atom positions (14 dimensions instead of 37).""" restype_atom14_to_atom37 = [] # mapping (restype, atom14) --> atom37 restype_atom37_to_atom14 = [] # mapping (restype, atom37) --> atom14 restype_atom14_mask = [] for rt in residue_constants.restypes: atom_names = residue_constants.restype_name_to_atom14_names[ residue_constants.restype_1to3[rt] ] restype_atom14_to_atom37.append( [ (residue_constants.atom_order[name] if name else 0) for name in atom_names ] ) atom_name_to_idx14 = {name: i for i, name in enumerate(atom_names)} restype_atom37_to_atom14.append( [ (atom_name_to_idx14[name] if name in atom_name_to_idx14 else 0) for name in residue_constants.atom_types ] ) restype_atom14_mask.append( [(1.0 if name else 0.0) for name in atom_names] ) # Add dummy mapping for restype 'UNK'. restype_atom14_to_atom37.append([0] * 14) restype_atom37_to_atom14.append([0] * 37) restype_atom14_mask.append([0.0] * 14) restype_atom14_to_atom37 = np.array( restype_atom14_to_atom37, dtype=np.int32 ) restype_atom37_to_atom14 = np.array( restype_atom37_to_atom14, dtype=np.int32 ) restype_atom14_mask = np.array(restype_atom14_mask, dtype=np.float32) # Create the mapping for (residx, atom14) --> atom37, i.e. an array # with shape (num_res, 14) containing the atom37 indices for this protein. residx_atom14_to_atom37 = restype_atom14_to_atom37[prot["aatype"]] residx_atom14_mask = restype_atom14_mask[prot["aatype"]] # Create a mask for known ground truth positions. residx_atom14_gt_mask = residx_atom14_mask * np.take_along_axis( prot["all_atom_mask"], residx_atom14_to_atom37, axis=1 ).astype(np.float32) # Gather the ground truth positions. residx_atom14_gt_positions = residx_atom14_gt_mask[:, :, None] * ( np.take_along_axis( prot["all_atom_positions"], residx_atom14_to_atom37[..., None], axis=1, ) ) prot["atom14_atom_exists"] = residx_atom14_mask prot["atom14_gt_exists"] = residx_atom14_gt_mask prot["atom14_gt_positions"] = residx_atom14_gt_positions prot["residx_atom14_to_atom37"] = residx_atom14_to_atom37.astype(np.int64) # Create the gather indices for mapping back. residx_atom37_to_atom14 = restype_atom37_to_atom14[prot["aatype"]] prot["residx_atom37_to_atom14"] = residx_atom37_to_atom14.astype(np.int64) # Create the corresponding mask. restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) for restype, restype_letter in enumerate(residue_constants.restypes): restype_name = residue_constants.restype_1to3[restype_letter] atom_names = residue_constants.residue_atoms[restype_name] for atom_name in atom_names: atom_type = residue_constants.atom_order[atom_name] restype_atom37_mask[restype, atom_type] = 1 residx_atom37_mask = restype_atom37_mask[prot["aatype"]] prot["atom37_atom_exists"] = residx_atom37_mask # As the atom naming is ambiguous for 7 of the 20 amino acids, provide # alternative ground truth coordinates where the naming is swapped restype_3 = [ residue_constants.restype_1to3[res] for res in residue_constants.restypes ] restype_3 += ["UNK"] # Matrices for renaming ambiguous atoms. all_matrices = {res: np.eye(14, dtype=np.float32) for res in restype_3} for resname, swap in residue_constants.residue_atom_renaming_swaps.items(): correspondences = np.arange(14) for source_atom_swap, target_atom_swap in swap.items(): source_index = residue_constants.restype_name_to_atom14_names[ resname ].index(source_atom_swap) target_index = residue_constants.restype_name_to_atom14_names[ resname ].index(target_atom_swap) correspondences[source_index] = target_index correspondences[target_index] = source_index renaming_matrix = np.zeros((14, 14), dtype=np.float32) for index, correspondence in enumerate(correspondences): renaming_matrix[index, correspondence] = 1.0 all_matrices[resname] = renaming_matrix.astype(np.float32) renaming_matrices = np.stack( [all_matrices[restype] for restype in restype_3] ) # Pick the transformation matrices for the given residue sequence # shape (num_res, 14, 14). renaming_transform = renaming_matrices[prot["aatype"]] # Apply it to the ground truth positions. shape (num_res, 14, 3). alternative_gt_positions = np.einsum( "rac,rab->rbc", residx_atom14_gt_positions, renaming_transform ) prot["atom14_alt_gt_positions"] = alternative_gt_positions # Create the mask for the alternative ground truth (differs from the # ground truth mask, if only one of the atoms in an ambiguous pair has a # ground truth position). alternative_gt_mask = np.einsum( "ra,rab->rb", residx_atom14_gt_mask, renaming_transform ) prot["atom14_alt_gt_exists"] = alternative_gt_mask # Create an ambiguous atoms mask. shape: (21, 14). restype_atom14_is_ambiguous = np.zeros((21, 14), dtype=np.float32) for resname, swap in residue_constants.residue_atom_renaming_swaps.items(): for atom_name1, atom_name2 in swap.items(): restype = residue_constants.restype_order[ residue_constants.restype_3to1[resname] ] atom_idx1 = residue_constants.restype_name_to_atom14_names[ resname ].index(atom_name1) atom_idx2 = residue_constants.restype_name_to_atom14_names[ resname ].index(atom_name2) restype_atom14_is_ambiguous[restype, atom_idx1] = 1 restype_atom14_is_ambiguous[restype, atom_idx2] = 1 # From this create an ambiguous_mask for the given sequence. prot["atom14_atom_is_ambiguous"] = restype_atom14_is_ambiguous[ prot["aatype"] ] return prot def find_violations(prot_np: protein.Protein): """Analyzes a protein and returns structural violation information. Args: prot_np: A protein. Returns: violations: A `dict` of structure components with structural violations. violation_metrics: A `dict` of violation metrics. """ batch = { "aatype": prot_np.aatype, "all_atom_positions": prot_np.atom_positions.astype(np.float32), "all_atom_mask": prot_np.atom_mask.astype(np.float32), "residue_index": prot_np.residue_index, } batch["seq_mask"] = np.ones_like(batch["aatype"], np.float32) batch = make_atom14_positions(batch) violations = loss.find_structural_violations_np( batch=batch, atom14_pred_positions=batch["atom14_gt_positions"], config=ml_collections.ConfigDict( { "violation_tolerance_factor": 12, # Taken from model config. "clash_overlap_tolerance": 1.5, # Taken from model config. } ), ) violation_metrics = loss.compute_violation_metrics_np( batch=batch, atom14_pred_positions=batch["atom14_gt_positions"], violations=violations, ) return violations, violation_metrics def get_violation_metrics(prot: protein.Protein): """Computes violation and alignment metrics.""" structural_violations, struct_metrics = find_violations(prot) violation_idx = np.flatnonzero( structural_violations["total_per_residue_violations_mask"] ) struct_metrics["residue_violations"] = violation_idx struct_metrics["num_residue_violations"] = len(violation_idx) struct_metrics["structural_violations"] = structural_violations return struct_metrics def _run_one_iteration( *, pdb_string: str, max_iterations: int, tolerance: float, stiffness: float, restraint_set: str, max_attempts: int, exclude_residues: Optional[Collection[int]] = None, use_gpu: bool, ): """Runs the minimization pipeline. Args: pdb_string: A pdb string. max_iterations: An `int` specifying the maximum number of L-BFGS iterations. A value of 0 specifies no limit. tolerance: kcal/mol, the energy tolerance of L-BFGS. stiffness: kcal/mol A**2, spring constant of heavy atom restraining potential. restraint_set: The set of atoms to restrain. max_attempts: The maximum number of minimization attempts. exclude_residues: An optional list of zero-indexed residues to exclude from restraints. use_gpu: Whether to run relaxation on GPU Returns: A `dict` of minimization info. """ exclude_residues = exclude_residues or [] # Assign physical dimensions. tolerance = tolerance * ENERGY stiffness = stiffness * ENERGY / (LENGTH ** 2) start = time.perf_counter() minimized = False attempts = 0 while not minimized and attempts < max_attempts: attempts += 1 try: logging.info( "Minimizing protein, attempt %d of %d.", attempts, max_attempts ) ret = _openmm_minimize( pdb_string, max_iterations=max_iterations, tolerance=tolerance, stiffness=stiffness, restraint_set=restraint_set, exclude_residues=exclude_residues, use_gpu=use_gpu, ) minimized = True except Exception as e: # pylint: disable=broad-except print(e) logging.info(e) if not minimized: raise ValueError(f"Minimization failed after {max_attempts} attempts.") ret["opt_time"] = time.perf_counter() - start ret["min_attempts"] = attempts return ret def run_pipeline( prot: protein.Protein, stiffness: float, use_gpu: bool, max_outer_iterations: int = 1, place_hydrogens_every_iteration: bool = True, max_iterations: int = 0, tolerance: float = 2.39, restraint_set: str = "non_hydrogen", max_attempts: int = 100, checks: bool = True, exclude_residues: Optional[Sequence[int]] = None, ): """Run iterative amber relax. Successive relax iterations are performed until all violations have been resolved. Each iteration involves a restrained Amber minimization, with restraint exclusions determined by violation-participating residues. Args: prot: A protein to be relaxed. stiffness: kcal/mol A**2, the restraint stiffness. use_gpu: Whether to run on GPU max_outer_iterations: The maximum number of iterative minimization. place_hydrogens_every_iteration: Whether hydrogens are re-initialized prior to every minimization. max_iterations: An `int` specifying the maximum number of L-BFGS steps per relax iteration. A value of 0 specifies no limit. tolerance: kcal/mol, the energy tolerance of L-BFGS. The default value is the OpenMM default. restraint_set: The set of atoms to restrain. max_attempts: The maximum number of minimization attempts per iteration. checks: Whether to perform cleaning checks. exclude_residues: An optional list of zero-indexed residues to exclude from restraints. Returns: out: A dictionary of output values. """ # `protein.to_pdb` will strip any poorly-defined residues so we need to # perform this check before `clean_protein`. _check_residues_are_well_defined(prot) pdb_string = clean_protein(prot, checks=checks) exclude_residues = exclude_residues or [] exclude_residues = set(exclude_residues) violations = np.inf iteration = 0 while violations > 0 and iteration < max_outer_iterations: ret = _run_one_iteration( pdb_string=pdb_string, exclude_residues=exclude_residues, max_iterations=max_iterations, tolerance=tolerance, stiffness=stiffness, restraint_set=restraint_set, max_attempts=max_attempts, use_gpu=use_gpu, ) headers = protein.get_pdb_headers(prot) if(len(headers) > 0): ret["min_pdb"] = '\n'.join(['\n'.join(headers), ret["min_pdb"]]) prot = protein.from_pdb_string(ret["min_pdb"]) if place_hydrogens_every_iteration: pdb_string = clean_protein(prot, checks=True) else: pdb_string = ret["min_pdb"] ret.update(get_violation_metrics(prot)) ret.update( { "num_exclusions": len(exclude_residues), "iteration": iteration, } ) violations = ret["violations_per_residue"] exclude_residues = exclude_residues.union(ret["residue_violations"]) logging.info( "Iteration completed: Einit %.2f Efinal %.2f Time %.2f s " "num residue violations %d num residue exclusions %d ", ret["einit"], ret["efinal"], ret["opt_time"], ret["num_residue_violations"], ret["num_exclusions"], ) iteration += 1 return ret def get_initial_energies( pdb_strs: Sequence[str], stiffness: float = 0.0, restraint_set: str = "non_hydrogen", exclude_residues: Optional[Sequence[int]] = None, ): """Returns initial potential energies for a sequence of PDBs. Assumes the input PDBs are ready for minimization, and all have the same topology. Allows time to be saved by not pdbfixing / rebuilding the system. Args: pdb_strs: List of PDB strings. stiffness: kcal/mol A**2, spring constant of heavy atom restraining potential. restraint_set: Which atom types to restrain. exclude_residues: An optional list of zero-indexed residues to exclude from restraints. Returns: A list of initial energies in the same order as pdb_strs. """ exclude_residues = exclude_residues or [] openmm_pdbs = [ openmm_app.PDBFile(PdbStructure(io.StringIO(p))) for p in pdb_strs ] force_field = openmm_app.ForceField("amber99sb.xml") system = force_field.createSystem( openmm_pdbs[0].topology, constraints=openmm_app.HBonds ) stiffness = stiffness * ENERGY / (LENGTH ** 2) if stiffness > 0 * ENERGY / (LENGTH ** 2): _add_restraints( system, openmm_pdbs[0], stiffness, restraint_set, exclude_residues ) simulation = openmm_app.Simulation( openmm_pdbs[0].topology, system, openmm.LangevinIntegrator(0, 0.01, 0.0), openmm.Platform.getPlatformByName("CPU"), ) energies = [] for pdb in openmm_pdbs: try: simulation.context.setPositions(pdb.positions) state = simulation.context.getState(getEnergy=True) energies.append(state.getPotentialEnergy().value_in_unit(ENERGY)) except Exception as e: # pylint: disable=broad-except logging.error( "Error getting initial energy, returning large value %s", e ) energies.append(unit.Quantity(1e20, ENERGY)) return energies ================================================ FILE: vendor/openfold/openfold/np/relax/cleanup.py ================================================ # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Cleans up a PDB file using pdbfixer in preparation for OpenMM simulations. fix_pdb uses a third-party tool. We also support fixing some additional edge cases like removing chains of length one (see clean_structure). """ import io import pdbfixer from openmm import app from openmm.app import element def fix_pdb(pdbfile, alterations_info): """Apply pdbfixer to the contents of a PDB file; return a PDB string result. 1) Replaces nonstandard residues. 2) Removes heterogens (non protein residues) including water. 3) Adds missing residues and missing atoms within existing residues. 4) Adds hydrogens assuming pH=7.0. 5) KeepIds is currently true, so the fixer must keep the existing chain and residue identifiers. This will fail for some files in wider PDB that have invalid IDs. Args: pdbfile: Input PDB file handle. alterations_info: A dict that will store details of changes made. Returns: A PDB string representing the fixed structure. """ fixer = pdbfixer.PDBFixer(pdbfile=pdbfile) fixer.findNonstandardResidues() alterations_info["nonstandard_residues"] = fixer.nonstandardResidues fixer.replaceNonstandardResidues() _remove_heterogens(fixer, alterations_info, keep_water=False) fixer.findMissingResidues() alterations_info["missing_residues"] = fixer.missingResidues fixer.findMissingAtoms() alterations_info["missing_heavy_atoms"] = fixer.missingAtoms alterations_info["missing_terminals"] = fixer.missingTerminals fixer.addMissingAtoms(seed=0) fixer.addMissingHydrogens() out_handle = io.StringIO() app.PDBFile.writeFile( fixer.topology, fixer.positions, out_handle, keepIds=True ) return out_handle.getvalue() def clean_structure(pdb_structure, alterations_info): """Applies additional fixes to an OpenMM structure, to handle edge cases. Args: pdb_structure: An OpenMM structure to modify and fix. alterations_info: A dict that will store details of changes made. """ _replace_met_se(pdb_structure, alterations_info) _remove_chains_of_length_one(pdb_structure, alterations_info) def _remove_heterogens(fixer, alterations_info, keep_water): """Removes the residues that Pdbfixer considers to be heterogens. Args: fixer: A Pdbfixer instance. alterations_info: A dict that will store details of changes made. keep_water: If True, water (HOH) is not considered to be a heterogen. """ initial_resnames = set() for chain in fixer.topology.chains(): for residue in chain.residues(): initial_resnames.add(residue.name) fixer.removeHeterogens(keepWater=keep_water) final_resnames = set() for chain in fixer.topology.chains(): for residue in chain.residues(): final_resnames.add(residue.name) alterations_info["removed_heterogens"] = initial_resnames.difference( final_resnames ) def _replace_met_se(pdb_structure, alterations_info): """Replace the Se in any MET residues that were not marked as modified.""" modified_met_residues = [] for res in pdb_structure.iter_residues(): name = res.get_name_with_spaces().strip() if name == "MET": s_atom = res.get_atom("SD") if s_atom.element_symbol == "Se": s_atom.element_symbol = "S" s_atom.element = element.get_by_symbol("S") modified_met_residues.append(s_atom.residue_number) alterations_info["Se_in_MET"] = modified_met_residues def _remove_chains_of_length_one(pdb_structure, alterations_info): """Removes chains that correspond to a single amino acid. A single amino acid in a chain is both N and C terminus. There is no force template for this case. Args: pdb_structure: An OpenMM pdb_structure to modify and fix. alterations_info: A dict that will store details of changes made. """ removed_chains = {} for model in pdb_structure.iter_models(): valid_chains = [c for c in model.iter_chains() if len(c) > 1] invalid_chain_ids = [ c.chain_id for c in model.iter_chains() if len(c) <= 1 ] model.chains = valid_chains for chain_id in invalid_chain_ids: model.chains_by_id.pop(chain_id) removed_chains[model.number] = invalid_chain_ids alterations_info["removed_chains"] = removed_chains ================================================ FILE: vendor/openfold/openfold/np/relax/relax.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Amber relaxation.""" from typing import Any, Dict, Sequence, Tuple from openfold.np import protein from openfold.np.relax import amber_minimize, utils import numpy as np class AmberRelaxation(object): """Amber relaxation.""" def __init__( self, *, max_iterations: int, tolerance: float, stiffness: float, exclude_residues: Sequence[int], max_outer_iterations: int, use_gpu: bool, ): """Initialize Amber Relaxer. Args: max_iterations: Maximum number of L-BFGS iterations. 0 means no max. tolerance: kcal/mol, the energy tolerance of L-BFGS. stiffness: kcal/mol A**2, spring constant of heavy atom restraining potential. exclude_residues: Residues to exclude from per-atom restraining. Zero-indexed. max_outer_iterations: Maximum number of violation-informed relax iterations. A value of 1 will run the non-iterative procedure used in CASP14. Use 20 so that >95% of the bad cases are relaxed. Relax finishes as soon as there are no violations, hence in most cases this causes no slowdown. In the worst case we do 20 outer iterations. use_gpu: Whether to run on GPU """ self._max_iterations = max_iterations self._tolerance = tolerance self._stiffness = stiffness self._exclude_residues = exclude_residues self._max_outer_iterations = max_outer_iterations self._use_gpu = use_gpu def process( self, *, prot: protein.Protein, cif_output: bool = False ) -> Tuple[str, Dict[str, Any], np.ndarray]: """Runs Amber relax on a prediction, adds hydrogens, returns PDB string.""" out = amber_minimize.run_pipeline( prot=prot, max_iterations=self._max_iterations, tolerance=self._tolerance, stiffness=self._stiffness, exclude_residues=self._exclude_residues, max_outer_iterations=self._max_outer_iterations, use_gpu=self._use_gpu, ) min_pos = out["pos"] start_pos = out["posinit"] rmsd = np.sqrt(np.sum((start_pos - min_pos) ** 2) / start_pos.shape[0]) debug_data = { "initial_energy": out["einit"], "final_energy": out["efinal"], "attempts": out["min_attempts"], "rmsd": rmsd, } pdb_str = amber_minimize.clean_protein(prot) min_pdb = utils.overwrite_pdb_coordinates(pdb_str, min_pos) min_pdb = utils.overwrite_b_factors(min_pdb, prot.b_factors) utils.assert_equal_nonterminal_atom_types( protein.from_pdb_string(min_pdb).atom_mask, prot.atom_mask ) violations = out["structural_violations"][ "total_per_residue_violations_mask" ] min_pdb = protein.add_pdb_headers(prot, min_pdb) output_str = min_pdb if cif_output: # TODO the model cif will be missing some metadata like headers (PARENTs and # REMARK with some details of the run, like num of recycles) final_prot = protein.from_pdb_string(min_pdb) output_str = protein.to_modelcif(final_prot) return output_str, debug_data, violations ================================================ FILE: vendor/openfold/openfold/np/relax/utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Utils for minimization.""" import io from openfold.np import residue_constants from Bio import PDB import numpy as np from openmm import app as openmm_app from openmm.app.internal.pdbstructure import PdbStructure def overwrite_pdb_coordinates(pdb_str: str, pos) -> str: pdb_file = io.StringIO(pdb_str) structure = PdbStructure(pdb_file) topology = openmm_app.PDBFile(structure).getTopology() with io.StringIO() as f: openmm_app.PDBFile.writeFile(topology, pos, f) return f.getvalue() def overwrite_b_factors(pdb_str: str, bfactors: np.ndarray) -> str: """Overwrites the B-factors in pdb_str with contents of bfactors array. Args: pdb_str: An input PDB string. bfactors: A numpy array with shape [1, n_residues, 37]. We assume that the B-factors are per residue; i.e. that the nonzero entries are identical in [0, i, :]. Returns: A new PDB string with the B-factors replaced. """ if bfactors.shape[-1] != residue_constants.atom_type_num: raise ValueError( f"Invalid final dimension size for bfactors: {bfactors.shape[-1]}." ) parser = PDB.PDBParser(QUIET=True) handle = io.StringIO(pdb_str) structure = parser.get_structure("", handle) curr_resid = ("", "", "") idx = -1 for atom in structure.get_atoms(): atom_resid = atom.parent.get_id() if atom_resid != curr_resid: idx += 1 if idx >= bfactors.shape[0]: raise ValueError( "Index into bfactors exceeds number of residues. " "B-factors shape: {shape}, idx: {idx}." ) curr_resid = atom_resid atom.bfactor = bfactors[idx, residue_constants.atom_order["CA"]] new_pdb = io.StringIO() pdb_io = PDB.PDBIO() pdb_io.set_structure(structure) pdb_io.save(new_pdb) return new_pdb.getvalue() def assert_equal_nonterminal_atom_types( atom_mask: np.ndarray, ref_atom_mask: np.ndarray ): """Checks that pre- and post-minimized proteins have same atom set.""" # Ignore any terminal OXT atoms which may have been added by minimization. oxt = residue_constants.atom_order["OXT"] no_oxt_mask = np.ones(shape=atom_mask.shape, dtype=np.bool) no_oxt_mask[..., oxt] = False np.testing.assert_almost_equal( ref_atom_mask[no_oxt_mask], atom_mask[no_oxt_mask] ) ================================================ FILE: vendor/openfold/openfold/np/residue_constants.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Constants used in AlphaFold.""" import collections import functools from typing import Mapping, List, Tuple from importlib import resources import numpy as np import tree # Internal import (35fd). # Distance from one CA to next CA [trans configuration: omega = 180]. ca_ca = 3.80209737096 # Format: The list for each AA type contains chi1, chi2, chi3, chi4 in # this order (or a relevant subset from chi1 onwards). ALA and GLY don't have # chi angles so their chi angle lists are empty. chi_angles_atoms = { "ALA": [], # Chi5 in arginine is always 0 +- 5 degrees, so ignore it. "ARG": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "NE"], ["CG", "CD", "NE", "CZ"], ], "ASN": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "ASP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], "CYS": [["N", "CA", "CB", "SG"]], "GLN": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLU": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "OE1"], ], "GLY": [], "HIS": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "ND1"]], "ILE": [["N", "CA", "CB", "CG1"], ["CA", "CB", "CG1", "CD1"]], "LEU": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "LYS": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"], ["CB", "CG", "CD", "CE"], ["CG", "CD", "CE", "NZ"], ], "MET": [ ["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "SD"], ["CB", "CG", "SD", "CE"], ], "PHE": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "PRO": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"]], "SER": [["N", "CA", "CB", "OG"]], "THR": [["N", "CA", "CB", "OG1"]], "TRP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "TYR": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], "VAL": [["N", "CA", "CB", "CG1"]], } # If chi angles given in fixed-length array, this matrix determines how to mask # them for each AA type. The order is as per restype_order (see below). chi_angles_mask = [ [0.0, 0.0, 0.0, 0.0], # ALA [1.0, 1.0, 1.0, 1.0], # ARG [1.0, 1.0, 0.0, 0.0], # ASN [1.0, 1.0, 0.0, 0.0], # ASP [1.0, 0.0, 0.0, 0.0], # CYS [1.0, 1.0, 1.0, 0.0], # GLN [1.0, 1.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [1.0, 1.0, 0.0, 0.0], # HIS [1.0, 1.0, 0.0, 0.0], # ILE [1.0, 1.0, 0.0, 0.0], # LEU [1.0, 1.0, 1.0, 1.0], # LYS [1.0, 1.0, 1.0, 0.0], # MET [1.0, 1.0, 0.0, 0.0], # PHE [1.0, 1.0, 0.0, 0.0], # PRO [1.0, 0.0, 0.0, 0.0], # SER [1.0, 0.0, 0.0, 0.0], # THR [1.0, 1.0, 0.0, 0.0], # TRP [1.0, 1.0, 0.0, 0.0], # TYR [1.0, 0.0, 0.0, 0.0], # VAL ] # The following chi angles are pi periodic: they can be rotated by a multiple # of pi without affecting the structure. chi_pi_periodic = [ [0.0, 0.0, 0.0, 0.0], # ALA [0.0, 0.0, 0.0, 0.0], # ARG [0.0, 0.0, 0.0, 0.0], # ASN [0.0, 1.0, 0.0, 0.0], # ASP [0.0, 0.0, 0.0, 0.0], # CYS [0.0, 0.0, 0.0, 0.0], # GLN [0.0, 0.0, 1.0, 0.0], # GLU [0.0, 0.0, 0.0, 0.0], # GLY [0.0, 0.0, 0.0, 0.0], # HIS [0.0, 0.0, 0.0, 0.0], # ILE [0.0, 0.0, 0.0, 0.0], # LEU [0.0, 0.0, 0.0, 0.0], # LYS [0.0, 0.0, 0.0, 0.0], # MET [0.0, 1.0, 0.0, 0.0], # PHE [0.0, 0.0, 0.0, 0.0], # PRO [0.0, 0.0, 0.0, 0.0], # SER [0.0, 0.0, 0.0, 0.0], # THR [0.0, 0.0, 0.0, 0.0], # TRP [0.0, 1.0, 0.0, 0.0], # TYR [0.0, 0.0, 0.0, 0.0], # VAL [0.0, 0.0, 0.0, 0.0], # UNK ] # Atoms positions relative to the 8 rigid groups, defined by the pre-omega, phi, # psi and chi angles: # 0: 'backbone group', # 1: 'pre-omega-group', (empty) # 2: 'phi-group', (currently empty, because it defines only hydrogens) # 3: 'psi-group', # 4,5,6,7: 'chi1,2,3,4-group' # The atom positions are relative to the axis-end-atom of the corresponding # rotation axis. The x-axis is in direction of the rotation axis, and the y-axis # is defined such that the dihedral-angle-definiting atom (the last entry in # chi_angles_atoms above) is in the xy-plane (with a positive y-coordinate). # format: [atomname, group_idx, rel_position] rigid_group_atom_positions = { "ALA": [ ["N", 0, (-0.525, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.529, -0.774, -1.205)], ["O", 3, (0.627, 1.062, 0.000)], ], "ARG": [ ["N", 0, (-0.524, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.524, -0.778, -1.209)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.616, 1.390, -0.000)], ["CD", 5, (0.564, 1.414, 0.000)], ["NE", 6, (0.539, 1.357, -0.000)], ["NH1", 7, (0.206, 2.301, 0.000)], ["NH2", 7, (2.078, 0.978, -0.000)], ["CZ", 7, (0.758, 1.093, -0.000)], ], "ASN": [ ["N", 0, (-0.536, 1.357, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.531, -0.787, -1.200)], ["O", 3, (0.625, 1.062, 0.000)], ["CG", 4, (0.584, 1.399, 0.000)], ["ND2", 5, (0.593, -1.188, 0.001)], ["OD1", 5, (0.633, 1.059, 0.000)], ], "ASP": [ ["N", 0, (-0.525, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, 0.000, -0.000)], ["CB", 0, (-0.526, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.593, 1.398, -0.000)], ["OD1", 5, (0.610, 1.091, 0.000)], ["OD2", 5, (0.592, -1.101, -0.003)], ], "CYS": [ ["N", 0, (-0.522, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, 0.000)], ["CB", 0, (-0.519, -0.773, -1.212)], ["O", 3, (0.625, 1.062, -0.000)], ["SG", 4, (0.728, 1.653, 0.000)], ], "GLN": [ ["N", 0, (-0.526, 1.361, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.525, -0.779, -1.207)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.615, 1.393, 0.000)], ["CD", 5, (0.587, 1.399, -0.000)], ["NE2", 6, (0.593, -1.189, -0.001)], ["OE1", 6, (0.634, 1.060, 0.000)], ], "GLU": [ ["N", 0, (-0.528, 1.361, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, -0.000, -0.000)], ["CB", 0, (-0.526, -0.781, -1.207)], ["O", 3, (0.626, 1.062, 0.000)], ["CG", 4, (0.615, 1.392, 0.000)], ["CD", 5, (0.600, 1.397, 0.000)], ["OE1", 6, (0.607, 1.095, -0.000)], ["OE2", 6, (0.589, -1.104, -0.001)], ], "GLY": [ ["N", 0, (-0.572, 1.337, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.517, -0.000, -0.000)], ["O", 3, (0.626, 1.062, -0.000)], ], "HIS": [ ["N", 0, (-0.527, 1.360, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.525, -0.778, -1.208)], ["O", 3, (0.625, 1.063, 0.000)], ["CG", 4, (0.600, 1.370, -0.000)], ["CD2", 5, (0.889, -1.021, 0.003)], ["ND1", 5, (0.744, 1.160, -0.000)], ["CE1", 5, (2.030, 0.851, 0.002)], ["NE2", 5, (2.145, -0.466, 0.004)], ], "ILE": [ ["N", 0, (-0.493, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.536, -0.793, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.534, 1.437, -0.000)], ["CG2", 4, (0.540, -0.785, -1.199)], ["CD1", 5, (0.619, 1.391, 0.000)], ], "LEU": [ ["N", 0, (-0.520, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.522, -0.773, -1.214)], ["O", 3, (0.625, 1.063, -0.000)], ["CG", 4, (0.678, 1.371, 0.000)], ["CD1", 5, (0.530, 1.430, -0.000)], ["CD2", 5, (0.535, -0.774, 1.200)], ], "LYS": [ ["N", 0, (-0.526, 1.362, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, 0.000)], ["CB", 0, (-0.524, -0.778, -1.208)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.619, 1.390, 0.000)], ["CD", 5, (0.559, 1.417, 0.000)], ["CE", 6, (0.560, 1.416, 0.000)], ["NZ", 7, (0.554, 1.387, 0.000)], ], "MET": [ ["N", 0, (-0.521, 1.364, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, 0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.210)], ["O", 3, (0.625, 1.062, -0.000)], ["CG", 4, (0.613, 1.391, -0.000)], ["SD", 5, (0.703, 1.695, 0.000)], ["CE", 6, (0.320, 1.786, -0.000)], ], "PHE": [ ["N", 0, (-0.518, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, 0.000, -0.000)], ["CB", 0, (-0.525, -0.776, -1.212)], ["O", 3, (0.626, 1.062, -0.000)], ["CG", 4, (0.607, 1.377, 0.000)], ["CD1", 5, (0.709, 1.195, -0.000)], ["CD2", 5, (0.706, -1.196, 0.000)], ["CE1", 5, (2.102, 1.198, -0.000)], ["CE2", 5, (2.098, -1.201, -0.000)], ["CZ", 5, (2.794, -0.003, -0.001)], ], "PRO": [ ["N", 0, (-0.566, 1.351, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, 0.000)], ["CB", 0, (-0.546, -0.611, -1.293)], ["O", 3, (0.621, 1.066, 0.000)], ["CG", 4, (0.382, 1.445, 0.0)], # ['CD', 5, (0.427, 1.440, 0.0)], ["CD", 5, (0.477, 1.424, 0.0)], # manually made angle 2 degrees larger ], "SER": [ ["N", 0, (-0.529, 1.360, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, -0.000)], ["CB", 0, (-0.518, -0.777, -1.211)], ["O", 3, (0.626, 1.062, -0.000)], ["OG", 4, (0.503, 1.325, 0.000)], ], "THR": [ ["N", 0, (-0.517, 1.364, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.526, 0.000, -0.000)], ["CB", 0, (-0.516, -0.793, -1.215)], ["O", 3, (0.626, 1.062, 0.000)], ["CG2", 4, (0.550, -0.718, -1.228)], ["OG1", 4, (0.472, 1.353, 0.000)], ], "TRP": [ ["N", 0, (-0.521, 1.363, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.525, -0.000, 0.000)], ["CB", 0, (-0.523, -0.776, -1.212)], ["O", 3, (0.627, 1.062, 0.000)], ["CG", 4, (0.609, 1.370, -0.000)], ["CD1", 5, (0.824, 1.091, 0.000)], ["CD2", 5, (0.854, -1.148, -0.005)], ["CE2", 5, (2.186, -0.678, -0.007)], ["CE3", 5, (0.622, -2.530, -0.007)], ["NE1", 5, (2.140, 0.690, -0.004)], ["CH2", 5, (3.028, -2.890, -0.013)], ["CZ2", 5, (3.283, -1.543, -0.011)], ["CZ3", 5, (1.715, -3.389, -0.011)], ], "TYR": [ ["N", 0, (-0.522, 1.362, 0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.524, -0.000, -0.000)], ["CB", 0, (-0.522, -0.776, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG", 4, (0.607, 1.382, -0.000)], ["CD1", 5, (0.716, 1.195, -0.000)], ["CD2", 5, (0.713, -1.194, -0.001)], ["CE1", 5, (2.107, 1.200, -0.002)], ["CE2", 5, (2.104, -1.201, -0.003)], ["OH", 5, (4.168, -0.002, -0.005)], ["CZ", 5, (2.791, -0.001, -0.003)], ], "VAL": [ ["N", 0, (-0.494, 1.373, -0.000)], ["CA", 0, (0.000, 0.000, 0.000)], ["C", 0, (1.527, -0.000, -0.000)], ["CB", 0, (-0.533, -0.795, -1.213)], ["O", 3, (0.627, 1.062, -0.000)], ["CG1", 4, (0.540, 1.429, -0.000)], ["CG2", 4, (0.533, -0.776, 1.203)], ], } # A list of atoms (excluding hydrogen) for each AA type. PDB naming convention. residue_atoms = { "ALA": ["C", "CA", "CB", "N", "O"], "ARG": ["C", "CA", "CB", "CG", "CD", "CZ", "N", "NE", "O", "NH1", "NH2"], "ASP": ["C", "CA", "CB", "CG", "N", "O", "OD1", "OD2"], "ASN": ["C", "CA", "CB", "CG", "N", "ND2", "O", "OD1"], "CYS": ["C", "CA", "CB", "N", "O", "SG"], "GLU": ["C", "CA", "CB", "CG", "CD", "N", "O", "OE1", "OE2"], "GLN": ["C", "CA", "CB", "CG", "CD", "N", "NE2", "O", "OE1"], "GLY": ["C", "CA", "N", "O"], "HIS": ["C", "CA", "CB", "CG", "CD2", "CE1", "N", "ND1", "NE2", "O"], "ILE": ["C", "CA", "CB", "CG1", "CG2", "CD1", "N", "O"], "LEU": ["C", "CA", "CB", "CG", "CD1", "CD2", "N", "O"], "LYS": ["C", "CA", "CB", "CG", "CD", "CE", "N", "NZ", "O"], "MET": ["C", "CA", "CB", "CG", "CE", "N", "O", "SD"], "PHE": ["C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O"], "PRO": ["C", "CA", "CB", "CG", "CD", "N", "O"], "SER": ["C", "CA", "CB", "N", "O", "OG"], "THR": ["C", "CA", "CB", "CG2", "N", "O", "OG1"], "TRP": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE2", "CE3", "CZ2", "CZ3", "CH2", "N", "NE1", "O", ], "TYR": [ "C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O", "OH", ], "VAL": ["C", "CA", "CB", "CG1", "CG2", "N", "O"], } # Naming swaps for ambiguous atom names. # Due to symmetries in the amino acids the naming of atoms is ambiguous in # 4 of the 20 amino acids. # (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities # in LEU, VAL and ARG can be resolved by using the 3d constellations of # the 'ambiguous' atoms and their neighbours) # Because for LEU, VAL and ARG, no ambiguous exist when the prediction output is chi angle instead of the location of individual atoms. # For the rest, ASP and others, when you rotate the bond 180 degree, you get the same configuraiton due to symmetry. residue_atom_renaming_swaps = { "ASP": {"OD1": "OD2"}, "GLU": {"OE1": "OE2"}, "PHE": {"CD1": "CD2", "CE1": "CE2"}, "TYR": {"CD1": "CD2", "CE1": "CE2"}, } # Van der Waals radii [Angstroem] of the atoms (from Wikipedia) van_der_waals_radius = { "C": 1.7, "N": 1.55, "O": 1.52, "S": 1.8, } Bond = collections.namedtuple( "Bond", ["atom1_name", "atom2_name", "length", "stddev"] ) BondAngle = collections.namedtuple( "BondAngle", ["atom1_name", "atom2_name", "atom3name", "angle_rad", "stddev"], ) @functools.lru_cache(maxsize=None) def load_stereo_chemical_props() -> Tuple[ Mapping[str, List[Bond]], Mapping[str, List[Bond]], Mapping[str, List[BondAngle]], ]: """Load stereo_chemical_props.txt into a nice structure. Load literature values for bond lengths and bond angles and translate bond angles into the length of the opposite edge of the triangle ("residue_virtual_bonds"). Returns: residue_bonds: dict that maps resname --> list of Bond tuples residue_virtual_bonds: dict that maps resname --> list of Bond tuples residue_bond_angles: dict that maps resname --> list of BondAngle tuples """ # TODO: this file should be downloaded in a setup script stereo_chemical_props = resources.read_text("openfold.resources", "stereo_chemical_props.txt") lines_iter = iter(stereo_chemical_props.splitlines()) # Load bond lengths. residue_bonds = {} next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, length, stddev = line.split() atom1, atom2 = bond.split("-") if resname not in residue_bonds: residue_bonds[resname] = [] residue_bonds[resname].append( Bond(atom1, atom2, float(length), float(stddev)) ) residue_bonds["UNK"] = [] # Load bond angles. residue_bond_angles = {} next(lines_iter) # Skip empty line. next(lines_iter) # Skip header line. for line in lines_iter: if line.strip() == "-": break bond, resname, angle_degree, stddev_degree = line.split() atom1, atom2, atom3 = bond.split("-") if resname not in residue_bond_angles: residue_bond_angles[resname] = [] residue_bond_angles[resname].append( BondAngle( atom1, atom2, atom3, float(angle_degree) / 180.0 * np.pi, float(stddev_degree) / 180.0 * np.pi, ) ) residue_bond_angles["UNK"] = [] def make_bond_key(atom1_name, atom2_name): """Unique key to lookup bonds.""" return "-".join(sorted([atom1_name, atom2_name])) # Translate bond angles into distances ("virtual bonds"). residue_virtual_bonds = {} for resname, bond_angles in residue_bond_angles.items(): # Create a fast lookup dict for bond lengths. bond_cache = {} for b in residue_bonds[resname]: bond_cache[make_bond_key(b.atom1_name, b.atom2_name)] = b residue_virtual_bonds[resname] = [] for ba in bond_angles: bond1 = bond_cache[make_bond_key(ba.atom1_name, ba.atom2_name)] bond2 = bond_cache[make_bond_key(ba.atom2_name, ba.atom3name)] # Compute distance between atom1 and atom3 using the law of cosines # c^2 = a^2 + b^2 - 2ab*cos(gamma). gamma = ba.angle_rad length = np.sqrt( bond1.length ** 2 + bond2.length ** 2 - 2 * bond1.length * bond2.length * np.cos(gamma) ) # Propagation of uncertainty assuming uncorrelated errors. dl_outer = 0.5 / length dl_dgamma = ( 2 * bond1.length * bond2.length * np.sin(gamma) ) * dl_outer dl_db1 = ( 2 * bond1.length - 2 * bond2.length * np.cos(gamma) ) * dl_outer dl_db2 = ( 2 * bond2.length - 2 * bond1.length * np.cos(gamma) ) * dl_outer stddev = np.sqrt( (dl_dgamma * ba.stddev) ** 2 + (dl_db1 * bond1.stddev) ** 2 + (dl_db2 * bond2.stddev) ** 2 ) residue_virtual_bonds[resname].append( Bond(ba.atom1_name, ba.atom3name, length, stddev) ) return (residue_bonds, residue_virtual_bonds, residue_bond_angles) # Between-residue bond lengths for general bonds (first element) and for Proline # (second element). between_res_bond_length_c_n = [1.329, 1.341] between_res_bond_length_stddev_c_n = [0.014, 0.016] # Between-residue cos_angles. between_res_cos_angles_c_n_ca = [-0.5203, 0.0353] # degrees: 121.352 +- 2.315 between_res_cos_angles_ca_c_n = [-0.4473, 0.0311] # degrees: 116.568 +- 1.995 # This mapping is used when we need to store atom data in a format that requires # fixed atom data size for every residue (e.g. a numpy array). atom_types = [ "N", "CA", "C", "CB", "O", "CG", "CG1", "CG2", "OG", "OG1", "SG", "CD", "CD1", "CD2", "ND1", "ND2", "OD1", "OD2", "SD", "CE", "CE1", "CE2", "CE3", "NE", "NE1", "NE2", "OE1", "OE2", "CH2", "NH1", "NH2", "OH", "CZ", "CZ2", "CZ3", "NZ", "OXT", ] atom_order = {atom_type: i for i, atom_type in enumerate(atom_types)} atom_type_num = len(atom_types) # := 37. # A compact atom encoding with 14 columns # pylint: disable=line-too-long # pylint: disable=bad-whitespace restype_name_to_atom14_names = { "ALA": ["N", "CA", "C", "O", "CB", "", "", "", "", "", "", "", "", ""], "ARG": [ "N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2", "", "", "", ], "ASN": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "ND2", "", "", "", "", "", "", ], "ASP": [ "N", "CA", "C", "O", "CB", "CG", "OD1", "OD2", "", "", "", "", "", "", ], "CYS": ["N", "CA", "C", "O", "CB", "SG", "", "", "", "", "", "", "", ""], "GLN": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "NE2", "", "", "", "", "", ], "GLU": [ "N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "OE2", "", "", "", "", "", ], "GLY": ["N", "CA", "C", "O", "", "", "", "", "", "", "", "", "", ""], "HIS": [ "N", "CA", "C", "O", "CB", "CG", "ND1", "CD2", "CE1", "NE2", "", "", "", "", ], "ILE": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "CD1", "", "", "", "", "", "", ], "LEU": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "", "", "", "", "", "", ], "LYS": [ "N", "CA", "C", "O", "CB", "CG", "CD", "CE", "NZ", "", "", "", "", "", ], "MET": [ "N", "CA", "C", "O", "CB", "CG", "SD", "CE", "", "", "", "", "", "", ], "PHE": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "", "", "", ], "PRO": ["N", "CA", "C", "O", "CB", "CG", "CD", "", "", "", "", "", "", ""], "SER": ["N", "CA", "C", "O", "CB", "OG", "", "", "", "", "", "", "", ""], "THR": [ "N", "CA", "C", "O", "CB", "OG1", "CG2", "", "", "", "", "", "", "", ], "TRP": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "NE1", "CE2", "CE3", "CZ2", "CZ3", "CH2", ], "TYR": [ "N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH", "", "", ], "VAL": [ "N", "CA", "C", "O", "CB", "CG1", "CG2", "", "", "", "", "", "", "", ], "UNK": ["", "", "", "", "", "", "", "", "", "", "", "", "", ""], } # pylint: enable=line-too-long # pylint: enable=bad-whitespace # This is the standard residue order when coding AA type as a number. # Reproduce it by taking 3-letter AA codes and sorting them alphabetically. restypes = [ "A", "R", "N", "D", "C", "Q", "E", "G", "H", "I", "L", "K", "M", "F", "P", "S", "T", "W", "Y", "V", ] restype_order = {restype: i for i, restype in enumerate(restypes)} restype_num = len(restypes) # := 20. unk_restype_index = restype_num # Catch-all index for unknown restypes. restypes_with_x = restypes + ["X"] restype_order_with_x = {restype: i for i, restype in enumerate(restypes_with_x)} def sequence_to_onehot( sequence: str, mapping: Mapping[str, int], map_unknown_to_x: bool = False ) -> np.ndarray: """Maps the given sequence into a one-hot encoded matrix. Args: sequence: An amino acid sequence. mapping: A dictionary mapping amino acids to integers. map_unknown_to_x: If True, any amino acid that is not in the mapping will be mapped to the unknown amino acid 'X'. If the mapping doesn't contain amino acid 'X', an error will be thrown. If False, any amino acid not in the mapping will throw an error. Returns: A numpy array of shape (seq_len, num_unique_aas) with one-hot encoding of the sequence. Raises: ValueError: If the mapping doesn't contain values from 0 to num_unique_aas - 1 without any gaps. """ num_entries = max(mapping.values()) + 1 if sorted(set(mapping.values())) != list(range(num_entries)): raise ValueError( "The mapping must have values from 0 to num_unique_aas-1 " "without any gaps. Got: %s" % sorted(mapping.values()) ) one_hot_arr = np.zeros((len(sequence), num_entries), dtype=np.int32) for aa_index, aa_type in enumerate(sequence): if map_unknown_to_x: if aa_type.isalpha() and aa_type.isupper(): aa_id = mapping.get(aa_type, mapping["X"]) else: raise ValueError( f"Invalid character in the sequence: {aa_type}" ) else: aa_id = mapping[aa_type] one_hot_arr[aa_index, aa_id] = 1 return one_hot_arr restype_1to3 = { "A": "ALA", "R": "ARG", "N": "ASN", "D": "ASP", "C": "CYS", "Q": "GLN", "E": "GLU", "G": "GLY", "H": "HIS", "I": "ILE", "L": "LEU", "K": "LYS", "M": "MET", "F": "PHE", "P": "PRO", "S": "SER", "T": "THR", "W": "TRP", "Y": "TYR", "V": "VAL", } # NB: restype_3to1 differs from Bio.PDB.protein_letters_3to1 by being a simple # 1-to-1 mapping of 3 letter names to one letter names. The latter contains # many more, and less common, three letter names as keys and maps many of these # to the same one letter name (including 'X' and 'U' which we don't use here). restype_3to1 = {v: k for k, v in restype_1to3.items()} # Define a restype name for all unknown residues. unk_restype = "UNK" resnames = [restype_1to3[r] for r in restypes] + [unk_restype] resname_to_idx = {resname: i for i, resname in enumerate(resnames)} # The mapping here uses hhblits convention, so that B is mapped to D, J and O # are mapped to X, U is mapped to C, and Z is mapped to E. Other than that the # remaining 20 amino acids are kept in alphabetical order. # There are 2 non-amino acid codes, X (representing any amino acid) and # "-" representing a missing amino acid in an alignment. The id for these # codes is put at the end (20 and 21) so that they can easily be ignored if # desired. HHBLITS_AA_TO_ID = { "A": 0, "B": 2, "C": 1, "D": 2, "E": 3, "F": 4, "G": 5, "H": 6, "I": 7, "J": 20, "K": 8, "L": 9, "M": 10, "N": 11, "O": 20, "P": 12, "Q": 13, "R": 14, "S": 15, "T": 16, "U": 1, "V": 17, "W": 18, "X": 20, "Y": 19, "Z": 3, "-": 21, } # Partial inversion of HHBLITS_AA_TO_ID. ID_TO_HHBLITS_AA = { 0: "A", 1: "C", # Also U. 2: "D", # Also B. 3: "E", # Also Z. 4: "F", 5: "G", 6: "H", 7: "I", 8: "K", 9: "L", 10: "M", 11: "N", 12: "P", 13: "Q", 14: "R", 15: "S", 16: "T", 17: "V", 18: "W", 19: "Y", 20: "X", # Includes J and O. 21: "-", } restypes_with_x_and_gap = restypes + ["X", "-"] MAP_HHBLITS_AATYPE_TO_OUR_AATYPE = tuple( restypes_with_x_and_gap.index(ID_TO_HHBLITS_AA[i]) for i in range(len(restypes_with_x_and_gap)) ) def _make_standard_atom_mask() -> np.ndarray: """Returns [num_res_types, num_atom_types] mask array.""" # +1 to account for unknown (all 0s). mask = np.zeros([restype_num + 1, atom_type_num], dtype=np.int32) for restype, restype_letter in enumerate(restypes): restype_name = restype_1to3[restype_letter] atom_names = residue_atoms[restype_name] for atom_name in atom_names: atom_type = atom_order[atom_name] mask[restype, atom_type] = 1 return mask STANDARD_ATOM_MASK = _make_standard_atom_mask() # A one hot representation for the first and second atoms defining the axis # of rotation for each chi-angle in each residue. def chi_angle_atom(atom_index: int) -> np.ndarray: """Define chi-angle rigid groups via one-hot representations.""" chi_angles_index = {} one_hots = [] for k, v in chi_angles_atoms.items(): indices = [atom_types.index(s[atom_index]) for s in v] indices.extend([-1] * (4 - len(indices))) chi_angles_index[k] = indices for r in restypes: res3 = restype_1to3[r] one_hot = np.eye(atom_type_num)[chi_angles_index[res3]] one_hots.append(one_hot) one_hots.append(np.zeros([4, atom_type_num])) # Add zeros for residue `X`. one_hot = np.stack(one_hots, axis=0) one_hot = np.transpose(one_hot, [0, 2, 1]) return one_hot chi_atom_1_one_hot = chi_angle_atom(1) chi_atom_2_one_hot = chi_angle_atom(2) # An array like chi_angles_atoms but using indices rather than names. chi_angles_atom_indices = [chi_angles_atoms[restype_1to3[r]] for r in restypes] chi_angles_atom_indices = tree.map_structure( lambda atom_name: atom_order[atom_name], chi_angles_atom_indices ) chi_angles_atom_indices = np.array( [ chi_atoms + ([[0, 0, 0, 0]] * (4 - len(chi_atoms))) for chi_atoms in chi_angles_atom_indices ] ) # Mapping from (res_name, atom_name) pairs to the atom's chi group index # and atom index within that group. chi_groups_for_atom = collections.defaultdict(list) for res_name, chi_angle_atoms_for_res in chi_angles_atoms.items(): for chi_group_i, chi_group in enumerate(chi_angle_atoms_for_res): for atom_i, atom in enumerate(chi_group): chi_groups_for_atom[(res_name, atom)].append((chi_group_i, atom_i)) chi_groups_for_atom = dict(chi_groups_for_atom) def _make_rigid_transformation_4x4(ex, ey, translation): """Create a rigid 4x4 transformation matrix from two axes and transl.""" # Normalize ex. ex_normalized = ex / np.linalg.norm(ex) # make ey perpendicular to ex ey_normalized = ey - np.dot(ey, ex_normalized) * ex_normalized ey_normalized /= np.linalg.norm(ey_normalized) # compute ez as cross product eznorm = np.cross(ex_normalized, ey_normalized) m = np.stack( [ex_normalized, ey_normalized, eznorm, translation] ).transpose() m = np.concatenate([m, [[0.0, 0.0, 0.0, 1.0]]], axis=0) return m # create an array with (restype, atomtype) --> rigid_group_idx # and an array with (restype, atomtype, coord) for the atom positions # and compute affine transformation matrices (4,4) from one rigid group to the # previous group restype_atom37_to_rigid_group = np.zeros([21, 37], dtype=int) restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) restype_atom37_rigid_group_positions = np.zeros([21, 37, 3], dtype=np.float32) restype_atom14_to_rigid_group = np.zeros([21, 14], dtype=int) restype_atom14_mask = np.zeros([21, 14], dtype=np.float32) restype_atom14_rigid_group_positions = np.zeros([21, 14, 3], dtype=np.float32) restype_rigid_group_default_frame = np.zeros([21, 8, 4, 4], dtype=np.float32) def _make_rigid_group_constants(): """Fill the arrays above.""" for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] for atomname, group_idx, atom_position in rigid_group_atom_positions[ resname ]: atomtype = atom_order[atomname] restype_atom37_to_rigid_group[restype, atomtype] = group_idx restype_atom37_mask[restype, atomtype] = 1 restype_atom37_rigid_group_positions[ restype, atomtype, : ] = atom_position atom14idx = restype_name_to_atom14_names[resname].index(atomname) restype_atom14_to_rigid_group[restype, atom14idx] = group_idx restype_atom14_mask[restype, atom14idx] = 1 restype_atom14_rigid_group_positions[ restype, atom14idx, : ] = atom_position for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_positions = { name: np.array(pos) for name, _, pos in rigid_group_atom_positions[resname] } # backbone to backbone is the identity transform restype_rigid_group_default_frame[restype, 0, :, :] = np.eye(4) # pre-omega-frame to backbone (currently dummy identity matrix) restype_rigid_group_default_frame[restype, 1, :, :] = np.eye(4) # phi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["N"] - atom_positions["CA"], ey=np.array([1.0, 0.0, 0.0]), translation=atom_positions["N"], ) restype_rigid_group_default_frame[restype, 2, :, :] = mat # psi-frame to backbone mat = _make_rigid_transformation_4x4( ex=atom_positions["C"] - atom_positions["CA"], ey=atom_positions["CA"] - atom_positions["N"], translation=atom_positions["C"], ) restype_rigid_group_default_frame[restype, 3, :, :] = mat # chi1-frame to backbone if chi_angles_mask[restype][0]: base_atom_names = chi_angles_atoms[resname][0] base_atom_positions = [ atom_positions[name] for name in base_atom_names ] mat = _make_rigid_transformation_4x4( ex=base_atom_positions[2] - base_atom_positions[1], ey=base_atom_positions[0] - base_atom_positions[1], translation=base_atom_positions[2], ) restype_rigid_group_default_frame[restype, 4, :, :] = mat # chi2-frame to chi1-frame # chi3-frame to chi2-frame # chi4-frame to chi3-frame # luckily all rotation axes for the next frame start at (0,0,0) of the # previous frame for chi_idx in range(1, 4): if chi_angles_mask[restype][chi_idx]: axis_end_atom_name = chi_angles_atoms[resname][chi_idx][2] axis_end_atom_position = atom_positions[axis_end_atom_name] mat = _make_rigid_transformation_4x4( ex=axis_end_atom_position, ey=np.array([-1.0, 0.0, 0.0]), translation=axis_end_atom_position, ) restype_rigid_group_default_frame[ restype, 4 + chi_idx, :, : ] = mat _make_rigid_group_constants() def make_atom14_dists_bounds( overlap_tolerance=1.5, bond_length_tolerance_factor=15 ): """compute upper and lower bounds for bonds to assess violations.""" restype_atom14_bond_lower_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_upper_bound = np.zeros([21, 14, 14], np.float32) restype_atom14_bond_stddev = np.zeros([21, 14, 14], np.float32) residue_bonds, residue_virtual_bonds, _ = load_stereo_chemical_props() for restype, restype_letter in enumerate(restypes): resname = restype_1to3[restype_letter] atom_list = restype_name_to_atom14_names[resname] # create lower and upper bounds for clashes for atom1_idx, atom1_name in enumerate(atom_list): if not atom1_name: continue atom1_radius = van_der_waals_radius[atom1_name[0]] for atom2_idx, atom2_name in enumerate(atom_list): if (not atom2_name) or atom1_idx == atom2_idx: continue atom2_radius = van_der_waals_radius[atom2_name[0]] lower = atom1_radius + atom2_radius - overlap_tolerance upper = 1e10 restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper # overwrite lower and upper bounds for bonds and angles for b in residue_bonds[resname] + residue_virtual_bonds[resname]: atom1_idx = atom_list.index(b.atom1_name) atom2_idx = atom_list.index(b.atom2_name) lower = b.length - bond_length_tolerance_factor * b.stddev upper = b.length + bond_length_tolerance_factor * b.stddev restype_atom14_bond_lower_bound[ restype, atom1_idx, atom2_idx ] = lower restype_atom14_bond_lower_bound[ restype, atom2_idx, atom1_idx ] = lower restype_atom14_bond_upper_bound[ restype, atom1_idx, atom2_idx ] = upper restype_atom14_bond_upper_bound[ restype, atom2_idx, atom1_idx ] = upper restype_atom14_bond_stddev[restype, atom1_idx, atom2_idx] = b.stddev restype_atom14_bond_stddev[restype, atom2_idx, atom1_idx] = b.stddev return { "lower_bound": restype_atom14_bond_lower_bound, # shape (21,14,14) "upper_bound": restype_atom14_bond_upper_bound, # shape (21,14,14) "stddev": restype_atom14_bond_stddev, # shape (21,14,14) } restype_atom14_ambiguous_atoms = np.zeros((21, 14), dtype=np.float32) restype_atom14_ambiguous_atoms_swap_idx = np.tile( np.arange(14, dtype=int), (21, 1) ) def _make_atom14_ambiguity_feats(): for res, pairs in residue_atom_renaming_swaps.items(): res_idx = restype_order[restype_3to1[res]] for atom1, atom2 in pairs.items(): atom1_idx = restype_name_to_atom14_names[res].index(atom1) atom2_idx = restype_name_to_atom14_names[res].index(atom2) restype_atom14_ambiguous_atoms[res_idx, atom1_idx] = 1 restype_atom14_ambiguous_atoms[res_idx, atom2_idx] = 1 restype_atom14_ambiguous_atoms_swap_idx[ res_idx, atom1_idx ] = atom2_idx restype_atom14_ambiguous_atoms_swap_idx[ res_idx, atom2_idx ] = atom1_idx _make_atom14_ambiguity_feats() def aatype_to_str_sequence(aatype): return ''.join([ restypes_with_x[aatype[i]] for i in range(len(aatype)) ]) ================================================ FILE: vendor/openfold/openfold/resources/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/resources/stereo_chemical_props.txt ================================================ Bond Residue Mean StdDev CA-CB ALA 1.520 0.021 N-CA ALA 1.459 0.020 CA-C ALA 1.525 0.026 C-O ALA 1.229 0.019 CA-CB ARG 1.535 0.022 CB-CG ARG 1.521 0.027 CG-CD ARG 1.515 0.025 CD-NE ARG 1.460 0.017 NE-CZ ARG 1.326 0.013 CZ-NH1 ARG 1.326 0.013 CZ-NH2 ARG 1.326 0.013 N-CA ARG 1.459 0.020 CA-C ARG 1.525 0.026 C-O ARG 1.229 0.019 CA-CB ASN 1.527 0.026 CB-CG ASN 1.506 0.023 CG-OD1 ASN 1.235 0.022 CG-ND2 ASN 1.324 0.025 N-CA ASN 1.459 0.020 CA-C ASN 1.525 0.026 C-O ASN 1.229 0.019 CA-CB ASP 1.535 0.022 CB-CG ASP 1.513 0.021 CG-OD1 ASP 1.249 0.023 CG-OD2 ASP 1.249 0.023 N-CA ASP 1.459 0.020 CA-C ASP 1.525 0.026 C-O ASP 1.229 0.019 CA-CB CYS 1.526 0.013 CB-SG CYS 1.812 0.016 N-CA CYS 1.459 0.020 CA-C CYS 1.525 0.026 C-O CYS 1.229 0.019 CA-CB GLU 1.535 0.022 CB-CG GLU 1.517 0.019 CG-CD GLU 1.515 0.015 CD-OE1 GLU 1.252 0.011 CD-OE2 GLU 1.252 0.011 N-CA GLU 1.459 0.020 CA-C GLU 1.525 0.026 C-O GLU 1.229 0.019 CA-CB GLN 1.535 0.022 CB-CG GLN 1.521 0.027 CG-CD GLN 1.506 0.023 CD-OE1 GLN 1.235 0.022 CD-NE2 GLN 1.324 0.025 N-CA GLN 1.459 0.020 CA-C GLN 1.525 0.026 C-O GLN 1.229 0.019 N-CA GLY 1.456 0.015 CA-C GLY 1.514 0.016 C-O GLY 1.232 0.016 CA-CB HIS 1.535 0.022 CB-CG HIS 1.492 0.016 CG-ND1 HIS 1.369 0.015 CG-CD2 HIS 1.353 0.017 ND1-CE1 HIS 1.343 0.025 CD2-NE2 HIS 1.415 0.021 CE1-NE2 HIS 1.322 0.023 N-CA HIS 1.459 0.020 CA-C HIS 1.525 0.026 C-O HIS 1.229 0.019 CA-CB ILE 1.544 0.023 CB-CG1 ILE 1.536 0.028 CB-CG2 ILE 1.524 0.031 CG1-CD1 ILE 1.500 0.069 N-CA ILE 1.459 0.020 CA-C ILE 1.525 0.026 C-O ILE 1.229 0.019 CA-CB LEU 1.533 0.023 CB-CG LEU 1.521 0.029 CG-CD1 LEU 1.514 0.037 CG-CD2 LEU 1.514 0.037 N-CA LEU 1.459 0.020 CA-C LEU 1.525 0.026 C-O LEU 1.229 0.019 CA-CB LYS 1.535 0.022 CB-CG LYS 1.521 0.027 CG-CD LYS 1.520 0.034 CD-CE LYS 1.508 0.025 CE-NZ LYS 1.486 0.025 N-CA LYS 1.459 0.020 CA-C LYS 1.525 0.026 C-O LYS 1.229 0.019 CA-CB MET 1.535 0.022 CB-CG MET 1.509 0.032 CG-SD MET 1.807 0.026 SD-CE MET 1.774 0.056 N-CA MET 1.459 0.020 CA-C MET 1.525 0.026 C-O MET 1.229 0.019 CA-CB PHE 1.535 0.022 CB-CG PHE 1.509 0.017 CG-CD1 PHE 1.383 0.015 CG-CD2 PHE 1.383 0.015 CD1-CE1 PHE 1.388 0.020 CD2-CE2 PHE 1.388 0.020 CE1-CZ PHE 1.369 0.019 CE2-CZ PHE 1.369 0.019 N-CA PHE 1.459 0.020 CA-C PHE 1.525 0.026 C-O PHE 1.229 0.019 CA-CB PRO 1.531 0.020 CB-CG PRO 1.495 0.050 CG-CD PRO 1.502 0.033 CD-N PRO 1.474 0.014 N-CA PRO 1.468 0.017 CA-C PRO 1.524 0.020 C-O PRO 1.228 0.020 CA-CB SER 1.525 0.015 CB-OG SER 1.418 0.013 N-CA SER 1.459 0.020 CA-C SER 1.525 0.026 C-O SER 1.229 0.019 CA-CB THR 1.529 0.026 CB-OG1 THR 1.428 0.020 CB-CG2 THR 1.519 0.033 N-CA THR 1.459 0.020 CA-C THR 1.525 0.026 C-O THR 1.229 0.019 CA-CB TRP 1.535 0.022 CB-CG TRP 1.498 0.018 CG-CD1 TRP 1.363 0.014 CG-CD2 TRP 1.432 0.017 CD1-NE1 TRP 1.375 0.017 NE1-CE2 TRP 1.371 0.013 CD2-CE2 TRP 1.409 0.012 CD2-CE3 TRP 1.399 0.015 CE2-CZ2 TRP 1.393 0.017 CE3-CZ3 TRP 1.380 0.017 CZ2-CH2 TRP 1.369 0.019 CZ3-CH2 TRP 1.396 0.016 N-CA TRP 1.459 0.020 CA-C TRP 1.525 0.026 C-O TRP 1.229 0.019 CA-CB TYR 1.535 0.022 CB-CG TYR 1.512 0.015 CG-CD1 TYR 1.387 0.013 CG-CD2 TYR 1.387 0.013 CD1-CE1 TYR 1.389 0.015 CD2-CE2 TYR 1.389 0.015 CE1-CZ TYR 1.381 0.013 CE2-CZ TYR 1.381 0.013 CZ-OH TYR 1.374 0.017 N-CA TYR 1.459 0.020 CA-C TYR 1.525 0.026 C-O TYR 1.229 0.019 CA-CB VAL 1.543 0.021 CB-CG1 VAL 1.524 0.021 CB-CG2 VAL 1.524 0.021 N-CA VAL 1.459 0.020 CA-C VAL 1.525 0.026 C-O VAL 1.229 0.019 - Angle Residue Mean StdDev N-CA-CB ALA 110.1 1.4 CB-CA-C ALA 110.1 1.5 N-CA-C ALA 111.0 2.7 CA-C-O ALA 120.1 2.1 N-CA-CB ARG 110.6 1.8 CB-CA-C ARG 110.4 2.0 CA-CB-CG ARG 113.4 2.2 CB-CG-CD ARG 111.6 2.6 CG-CD-NE ARG 111.8 2.1 CD-NE-CZ ARG 123.6 1.4 NE-CZ-NH1 ARG 120.3 0.5 NE-CZ-NH2 ARG 120.3 0.5 NH1-CZ-NH2 ARG 119.4 1.1 N-CA-C ARG 111.0 2.7 CA-C-O ARG 120.1 2.1 N-CA-CB ASN 110.6 1.8 CB-CA-C ASN 110.4 2.0 CA-CB-CG ASN 113.4 2.2 CB-CG-ND2 ASN 116.7 2.4 CB-CG-OD1 ASN 121.6 2.0 ND2-CG-OD1 ASN 121.9 2.3 N-CA-C ASN 111.0 2.7 CA-C-O ASN 120.1 2.1 N-CA-CB ASP 110.6 1.8 CB-CA-C ASP 110.4 2.0 CA-CB-CG ASP 113.4 2.2 CB-CG-OD1 ASP 118.3 0.9 CB-CG-OD2 ASP 118.3 0.9 OD1-CG-OD2 ASP 123.3 1.9 N-CA-C ASP 111.0 2.7 CA-C-O ASP 120.1 2.1 N-CA-CB CYS 110.8 1.5 CB-CA-C CYS 111.5 1.2 CA-CB-SG CYS 114.2 1.1 N-CA-C CYS 111.0 2.7 CA-C-O CYS 120.1 2.1 N-CA-CB GLU 110.6 1.8 CB-CA-C GLU 110.4 2.0 CA-CB-CG GLU 113.4 2.2 CB-CG-CD GLU 114.2 2.7 CG-CD-OE1 GLU 118.3 2.0 CG-CD-OE2 GLU 118.3 2.0 OE1-CD-OE2 GLU 123.3 1.2 N-CA-C GLU 111.0 2.7 CA-C-O GLU 120.1 2.1 N-CA-CB GLN 110.6 1.8 CB-CA-C GLN 110.4 2.0 CA-CB-CG GLN 113.4 2.2 CB-CG-CD GLN 111.6 2.6 CG-CD-OE1 GLN 121.6 2.0 CG-CD-NE2 GLN 116.7 2.4 OE1-CD-NE2 GLN 121.9 2.3 N-CA-C GLN 111.0 2.7 CA-C-O GLN 120.1 2.1 N-CA-C GLY 113.1 2.5 CA-C-O GLY 120.6 1.8 N-CA-CB HIS 110.6 1.8 CB-CA-C HIS 110.4 2.0 CA-CB-CG HIS 113.6 1.7 CB-CG-ND1 HIS 123.2 2.5 CB-CG-CD2 HIS 130.8 3.1 CG-ND1-CE1 HIS 108.2 1.4 ND1-CE1-NE2 HIS 109.9 2.2 CE1-NE2-CD2 HIS 106.6 2.5 NE2-CD2-CG HIS 109.2 1.9 CD2-CG-ND1 HIS 106.0 1.4 N-CA-C HIS 111.0 2.7 CA-C-O HIS 120.1 2.1 N-CA-CB ILE 110.8 2.3 CB-CA-C ILE 111.6 2.0 CA-CB-CG1 ILE 111.0 1.9 CB-CG1-CD1 ILE 113.9 2.8 CA-CB-CG2 ILE 110.9 2.0 CG1-CB-CG2 ILE 111.4 2.2 N-CA-C ILE 111.0 2.7 CA-C-O ILE 120.1 2.1 N-CA-CB LEU 110.4 2.0 CB-CA-C LEU 110.2 1.9 CA-CB-CG LEU 115.3 2.3 CB-CG-CD1 LEU 111.0 1.7 CB-CG-CD2 LEU 111.0 1.7 CD1-CG-CD2 LEU 110.5 3.0 N-CA-C LEU 111.0 2.7 CA-C-O LEU 120.1 2.1 N-CA-CB LYS 110.6 1.8 CB-CA-C LYS 110.4 2.0 CA-CB-CG LYS 113.4 2.2 CB-CG-CD LYS 111.6 2.6 CG-CD-CE LYS 111.9 3.0 CD-CE-NZ LYS 111.7 2.3 N-CA-C LYS 111.0 2.7 CA-C-O LYS 120.1 2.1 N-CA-CB MET 110.6 1.8 CB-CA-C MET 110.4 2.0 CA-CB-CG MET 113.3 1.7 CB-CG-SD MET 112.4 3.0 CG-SD-CE MET 100.2 1.6 N-CA-C MET 111.0 2.7 CA-C-O MET 120.1 2.1 N-CA-CB PHE 110.6 1.8 CB-CA-C PHE 110.4 2.0 CA-CB-CG PHE 113.9 2.4 CB-CG-CD1 PHE 120.8 0.7 CB-CG-CD2 PHE 120.8 0.7 CD1-CG-CD2 PHE 118.3 1.3 CG-CD1-CE1 PHE 120.8 1.1 CG-CD2-CE2 PHE 120.8 1.1 CD1-CE1-CZ PHE 120.1 1.2 CD2-CE2-CZ PHE 120.1 1.2 CE1-CZ-CE2 PHE 120.0 1.8 N-CA-C PHE 111.0 2.7 CA-C-O PHE 120.1 2.1 N-CA-CB PRO 103.3 1.2 CB-CA-C PRO 111.7 2.1 CA-CB-CG PRO 104.8 1.9 CB-CG-CD PRO 106.5 3.9 CG-CD-N PRO 103.2 1.5 CA-N-CD PRO 111.7 1.4 N-CA-C PRO 112.1 2.6 CA-C-O PRO 120.2 2.4 N-CA-CB SER 110.5 1.5 CB-CA-C SER 110.1 1.9 CA-CB-OG SER 111.2 2.7 N-CA-C SER 111.0 2.7 CA-C-O SER 120.1 2.1 N-CA-CB THR 110.3 1.9 CB-CA-C THR 111.6 2.7 CA-CB-OG1 THR 109.0 2.1 CA-CB-CG2 THR 112.4 1.4 OG1-CB-CG2 THR 110.0 2.3 N-CA-C THR 111.0 2.7 CA-C-O THR 120.1 2.1 N-CA-CB TRP 110.6 1.8 CB-CA-C TRP 110.4 2.0 CA-CB-CG TRP 113.7 1.9 CB-CG-CD1 TRP 127.0 1.3 CB-CG-CD2 TRP 126.6 1.3 CD1-CG-CD2 TRP 106.3 0.8 CG-CD1-NE1 TRP 110.1 1.0 CD1-NE1-CE2 TRP 109.0 0.9 NE1-CE2-CD2 TRP 107.3 1.0 CE2-CD2-CG TRP 107.3 0.8 CG-CD2-CE3 TRP 133.9 0.9 NE1-CE2-CZ2 TRP 130.4 1.1 CE3-CD2-CE2 TRP 118.7 1.2 CD2-CE2-CZ2 TRP 122.3 1.2 CE2-CZ2-CH2 TRP 117.4 1.0 CZ2-CH2-CZ3 TRP 121.6 1.2 CH2-CZ3-CE3 TRP 121.2 1.1 CZ3-CE3-CD2 TRP 118.8 1.3 N-CA-C TRP 111.0 2.7 CA-C-O TRP 120.1 2.1 N-CA-CB TYR 110.6 1.8 CB-CA-C TYR 110.4 2.0 CA-CB-CG TYR 113.4 1.9 CB-CG-CD1 TYR 121.0 0.6 CB-CG-CD2 TYR 121.0 0.6 CD1-CG-CD2 TYR 117.9 1.1 CG-CD1-CE1 TYR 121.3 0.8 CG-CD2-CE2 TYR 121.3 0.8 CD1-CE1-CZ TYR 119.8 0.9 CD2-CE2-CZ TYR 119.8 0.9 CE1-CZ-CE2 TYR 119.8 1.6 CE1-CZ-OH TYR 120.1 2.7 CE2-CZ-OH TYR 120.1 2.7 N-CA-C TYR 111.0 2.7 CA-C-O TYR 120.1 2.1 N-CA-CB VAL 111.5 2.2 CB-CA-C VAL 111.4 1.9 CA-CB-CG1 VAL 110.9 1.5 CA-CB-CG2 VAL 110.9 1.5 CG1-CB-CG2 VAL 110.9 1.6 N-CA-C VAL 111.0 2.7 CA-C-O VAL 120.1 2.1 - Non-bonded distance Minimum Dist Tolerance C-C 3.4 1.5 C-N 3.25 1.5 C-S 3.5 1.5 C-O 3.22 1.5 N-N 3.1 1.5 N-S 3.35 1.5 N-O 3.07 1.5 O-S 3.32 1.5 O-O 3.04 1.5 S-S 2.03 1.0 - ================================================ FILE: vendor/openfold/openfold/utils/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/utils/argparse.py ================================================ from argparse import HelpFormatter from operator import attrgetter class ArgparseAlphabetizer(HelpFormatter): """ Sorts the optional arguments of an argparse parser alphabetically """ @staticmethod def sort_actions(actions): return sorted(actions, key=attrgetter("option_strings")) # Formats the help message def add_arguments(self, actions): actions = ArgparseAlphabetizer.sort_actions(actions) super(ArgparseAlphabetizer, self).add_arguments(actions) # Formats the usage message def add_usage(self, usage, actions, groups, prefix=None): actions = ArgparseAlphabetizer.sort_actions(actions) args = usage, actions, groups, prefix super(ArgparseAlphabetizer, self).add_usage(*args) def remove_arguments(parser, args): for arg in args: for action in parser._actions: opts = vars(action)["option_strings"] if(arg in opts): parser._handle_conflict_resolve(None, [(arg, action)]) ================================================ FILE: vendor/openfold/openfold/utils/callbacks.py ================================================ from pytorch_lightning.utilities import rank_zero_info from pytorch_lightning.callbacks.early_stopping import EarlyStopping class EarlyStoppingVerbose(EarlyStopping): """ The default EarlyStopping callback's verbose mode is too verbose. This class outputs a message only when it's getting ready to stop. """ def _evalute_stopping_criteria(self, *args, **kwargs): should_stop, reason = super()._evalute_stopping_criteria(*args, **kwargs) if(should_stop): rank_zero_info(f"{reason}\n") return should_stop, reason ================================================ FILE: vendor/openfold/openfold/utils/checkpointing.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import importlib from typing import Any, Tuple, List, Callable, Optional deepspeed_is_installed = importlib.util.find_spec("deepspeed") is not None if(deepspeed_is_installed): import deepspeed import torch import torch.utils.checkpoint BLOCK_ARG = Any BLOCK_ARGS = List[BLOCK_ARG] def get_checkpoint_fn(): deepspeed_is_configured = ( deepspeed_is_installed and deepspeed.checkpointing.is_configured() ) if(deepspeed_is_configured): checkpoint = deepspeed.checkpointing.checkpoint else: checkpoint = torch.utils.checkpoint.checkpoint return checkpoint @torch.jit.ignore def checkpoint_blocks( blocks: List[Callable], args: BLOCK_ARGS, blocks_per_ckpt: Optional[int], ) -> BLOCK_ARGS: """ Chunk a list of blocks and run each chunk with activation checkpointing. We define a "block" as a callable whose only inputs are the outputs of the previous block. Implements Subsection 1.11.8 Args: blocks: List of blocks args: Tuple of arguments for the first block. blocks_per_ckpt: Size of each chunk. A higher value corresponds to fewer checkpoints, and trades memory for speed. If None, no checkpointing is performed. Returns: The output of the final block """ def wrap(a): return (a,) if type(a) is not tuple else a def exec(b, a): for block in b: a = wrap(block(*a)) return a def chunker(s, e): def exec_sliced(*a): return exec(blocks[s:e], a) return exec_sliced # Avoids mishaps when the blocks take just one argument args = wrap(args) if blocks_per_ckpt is None or not torch.is_grad_enabled(): return exec(blocks, args) elif blocks_per_ckpt < 1 or blocks_per_ckpt > len(blocks): raise ValueError("blocks_per_ckpt must be between 1 and len(blocks)") checkpoint = get_checkpoint_fn() for s in range(0, len(blocks), blocks_per_ckpt): e = s + blocks_per_ckpt args = checkpoint(chunker(s, e), *args) args = wrap(args) return args ================================================ FILE: vendor/openfold/openfold/utils/chunk_utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import logging import math from typing import Tuple, List, Callable, Any, Dict, Sequence, Optional import torch from openfold.utils.tensor_utils import ( tree_map, tensor_tree_map, ) def _fetch_dims(tree): shapes = [] tree_type = type(tree) if tree_type is dict: for v in tree.values(): shapes.extend(_fetch_dims(v)) elif tree_type is list or tree_type is tuple: for t in tree: shapes.extend(_fetch_dims(t)) elif tree_type is torch.Tensor: shapes.append(tree.shape) else: raise ValueError("Not supported") return shapes @torch.jit.ignore def _flat_idx_to_idx( flat_idx: int, dims: Tuple[int], ) -> Tuple[int]: idx = [] for d in reversed(dims): idx.append(flat_idx % d) flat_idx = flat_idx // d return tuple(reversed(idx)) @torch.jit.ignore def _get_minimal_slice_set( start: Sequence[int], end: Sequence[int], dims: int, start_edges: Optional[Sequence[bool]] = None, end_edges: Optional[Sequence[bool]] = None, ) -> Sequence[Tuple[int]]: """ Produces an ordered sequence of tensor slices that, when used in sequence on a tensor with shape dims, yields tensors that contain every leaf in the contiguous range [start, end]. Care is taken to yield a short sequence of slices, and perhaps even the shortest possible (I'm pretty sure it's the latter). end is INCLUSIVE. """ # start_edges and end_edges both indicate whether, starting from any given # dimension, the start/end index is at the top/bottom edge of the # corresponding tensor, modeled as a tree def reduce_edge_list(l): tally = 1 for i in range(len(l)): reversed_idx = -1 * (i + 1) l[reversed_idx] *= tally tally = l[reversed_idx] if(start_edges is None): start_edges = [s == 0 for s in start] reduce_edge_list(start_edges) if(end_edges is None): end_edges = [e == (d - 1) for e,d in zip(end, dims)] reduce_edge_list(end_edges) # Base cases. Either start/end are empty and we're done, or the final, # one-dimensional tensor can be simply sliced if(len(start) == 0): return [tuple()] elif(len(start) == 1): return [(slice(start[0], end[0] + 1),)] slices = [] path = [] # Dimensions common to start and end can be selected directly for s,e in zip(start, end): if(s == e): path.append(slice(s, s + 1)) else: break path = tuple(path) divergence_idx = len(path) # start == end, and we're done if(divergence_idx == len(dims)): return [tuple(path)] def upper(): sdi = start[divergence_idx] return [ path + (slice(sdi, sdi + 1),) + s for s in _get_minimal_slice_set( start[divergence_idx + 1:], [d - 1 for d in dims[divergence_idx + 1:]], dims[divergence_idx + 1:], start_edges=start_edges[divergence_idx + 1:], end_edges=[1 for _ in end_edges[divergence_idx + 1:]] ) ] def lower(): edi = end[divergence_idx] return [ path + (slice(edi, edi + 1),) + s for s in _get_minimal_slice_set( [0 for _ in start[divergence_idx + 1:]], end[divergence_idx + 1:], dims[divergence_idx + 1:], start_edges=[1 for _ in start_edges[divergence_idx + 1:]], end_edges=end_edges[divergence_idx + 1:], ) ] # If both start and end are at the edges of the subtree rooted at # divergence_idx, we can just select the whole subtree at once if(start_edges[divergence_idx] and end_edges[divergence_idx]): slices.append( path + (slice(start[divergence_idx], end[divergence_idx] + 1),) ) # If just start is at the edge, we can grab almost all of the subtree, # treating only the ragged bottom edge as an edge case elif(start_edges[divergence_idx]): slices.append( path + (slice(start[divergence_idx], end[divergence_idx]),) ) slices.extend(lower()) # Analogous to the previous case, but the top is ragged this time elif(end_edges[divergence_idx]): slices.extend(upper()) slices.append( path + (slice(start[divergence_idx] + 1, end[divergence_idx] + 1),) ) # If both sides of the range are ragged, we need to handle both sides # separately. If there's contiguous meat in between them, we can index it # in one big chunk else: slices.extend(upper()) middle_ground = end[divergence_idx] - start[divergence_idx] if(middle_ground > 1): slices.append( path + (slice(start[divergence_idx] + 1, end[divergence_idx]),) ) slices.extend(lower()) return [tuple(s) for s in slices] @torch.jit.ignore def _chunk_slice( t: torch.Tensor, flat_start: int, flat_end: int, no_batch_dims: int, ) -> torch.Tensor: """ Equivalent to t.reshape((-1,) + t.shape[no_batch_dims:])[flat_start:flat_end] but without the need for the initial reshape call, which can be memory-intensive in certain situations. The only reshape operations in this function are performed on sub-tensors that scale with (flat_end - flat_start), the chunk size. """ batch_dims = t.shape[:no_batch_dims] start_idx = list(_flat_idx_to_idx(flat_start, batch_dims)) # _get_minimal_slice_set is inclusive end_idx = list(_flat_idx_to_idx(flat_end - 1, batch_dims)) # Get an ordered list of slices to perform slices = _get_minimal_slice_set( start_idx, end_idx, batch_dims, ) sliced_tensors = [t[s] for s in slices] return torch.cat( [s.view((-1,) + t.shape[no_batch_dims:]) for s in sliced_tensors] ) def chunk_layer( layer: Callable, inputs: Dict[str, Any], chunk_size: int, no_batch_dims: int, low_mem: bool = False, _out: Any = None, _add_into_out: bool = False, ) -> Any: """ Implements the "chunking" procedure described in section 1.11.8. Layer outputs and inputs are assumed to be simple "pytrees," consisting only of (arbitrarily nested) lists, tuples, and dicts with torch.Tensor leaves. Args: layer: The layer to be applied chunk-wise inputs: A (non-nested) dictionary of keyworded inputs. All leaves must be tensors and must share the same batch dimensions. chunk_size: The number of sub-batches per chunk. If multiple batch dimensions are specified, a "sub-batch" is defined as a single indexing of all batch dimensions simultaneously (s.t. the number of sub-batches is the product of the batch dimensions). no_batch_dims: How many of the initial dimensions of each input tensor can be considered batch dimensions. low_mem: Avoids flattening potentially large input tensors. Unnecessary in most cases, and is ever so slightly slower than the default setting. Returns: The reassembled output of the layer on the inputs. """ if not (len(inputs) > 0): raise ValueError("Must provide at least one input") initial_dims = [shape[:no_batch_dims] for shape in _fetch_dims(inputs)] orig_batch_dims = tuple([max(s) for s in zip(*initial_dims)]) def _prep_inputs(t): if(not low_mem): if not sum(t.shape[:no_batch_dims]) == no_batch_dims: t = t.expand(orig_batch_dims + t.shape[no_batch_dims:]) t = t.reshape(-1, *t.shape[no_batch_dims:]) else: t = t.expand(orig_batch_dims + t.shape[no_batch_dims:]) return t prepped_inputs = tensor_tree_map(_prep_inputs, inputs) prepped_outputs = None if(_out is not None): reshape_fn = lambda t: t.view([-1] + list(t.shape[no_batch_dims:])) prepped_outputs = tensor_tree_map(reshape_fn, _out) flat_batch_dim = 1 for d in orig_batch_dims: flat_batch_dim *= d no_chunks = flat_batch_dim // chunk_size + ( flat_batch_dim % chunk_size != 0 ) i = 0 out = prepped_outputs for _ in range(no_chunks): # Chunk the input if(not low_mem): select_chunk = ( lambda t: t[i : i + chunk_size] if t.shape[0] != 1 else t ) else: select_chunk = ( partial( _chunk_slice, flat_start=i, flat_end=min(flat_batch_dim, i + chunk_size), no_batch_dims=len(orig_batch_dims) ) ) chunks = tensor_tree_map(select_chunk, prepped_inputs) # Run the layer on the chunk output_chunk = layer(**chunks) # Allocate space for the output if out is None: allocate = lambda t: t.new_zeros((flat_batch_dim,) + t.shape[1:]) out = tensor_tree_map(allocate, output_chunk) # Put the chunk in its pre-allocated space out_type = type(output_chunk) if out_type is dict: def assign(d1, d2): for k, v in d1.items(): if type(v) is dict: assign(v, d2[k]) else: if(_add_into_out): v[i: i + chunk_size] += d2[k] else: v[i: i + chunk_size] = d2[k] assign(out, output_chunk) elif out_type is tuple: for x1, x2 in zip(out, output_chunk): if(_add_into_out): x1[i: i + chunk_size] += x2 else: x1[i : i + chunk_size] = x2 elif out_type is torch.Tensor: if(_add_into_out): out[i: i + chunk_size] += output_chunk else: out[i: i + chunk_size] = output_chunk else: raise ValueError("Not supported") i += chunk_size reshape = lambda t: t.view(orig_batch_dims + t.shape[1:]) out = tensor_tree_map(reshape, out) return out class ChunkSizeTuner: def __init__(self, # Heuristically, runtimes for most of the modules in the network # plateau earlier than this on all GPUs I've run the model on. max_chunk_size=512, ): self.max_chunk_size = max_chunk_size self.cached_chunk_size = None self.cached_arg_data = None def _determine_favorable_chunk_size(self, fn, args, min_chunk_size): logging.info("Tuning chunk size...") if(min_chunk_size >= self.max_chunk_size): return min_chunk_size candidates = [2**l for l in range(int(math.log(self.max_chunk_size, 2)) + 1)] candidates = [c for c in candidates if c > min_chunk_size] candidates = [min_chunk_size] + candidates candidates[-1] += 4 def test_chunk_size(chunk_size): try: with torch.no_grad(): fn(*args, chunk_size=chunk_size) return True except RuntimeError: return False min_viable_chunk_size_index = 0 i = len(candidates) - 1 while i > min_viable_chunk_size_index: viable = test_chunk_size(candidates[i]) if(not viable): i = (min_viable_chunk_size_index + i) // 2 else: min_viable_chunk_size_index = i i = (i + len(candidates) - 1) // 2 return candidates[min_viable_chunk_size_index] def _compare_arg_caches(self, ac1, ac2): consistent = True for a1, a2 in zip(ac1, ac2): assert(type(ac1) == type(ac2)) if(type(ac1) is list or type(ac1) is tuple): consistent &= self._compare_arg_caches(a1, a2) elif(type(ac1) is dict): a1_items = [ v for _, v in sorted(a1.items(), key=lambda x: x[0]) ] a2_items = [ v for _, v in sorted(a2.items(), key=lambda x: x[0]) ] consistent &= self._compare_arg_caches(a1_items, a2_items) else: consistent &= a1 == a2 return consistent def tune_chunk_size(self, representative_fn: Callable, args: Tuple[Any], min_chunk_size: int, ) -> int: consistent = True remove_tensors = lambda a: a.shape if type(a) is torch.Tensor else a arg_data = tree_map(remove_tensors, args, object) if(self.cached_arg_data is not None): # If args have changed shape/value, we need to re-tune assert(len(self.cached_arg_data) == len(arg_data)) consistent = self._compare_arg_caches( self.cached_arg_data, arg_data ) else: # Otherwise, we can reuse the precomputed value consistent = False if(not consistent): self.cached_chunk_size = self._determine_favorable_chunk_size( representative_fn, args, min_chunk_size, ) self.cached_arg_data = arg_data return self.cached_chunk_size ================================================ FILE: vendor/openfold/openfold/utils/exponential_moving_average.py ================================================ from collections import OrderedDict import copy import torch import torch.nn as nn from openfold.utils.tensor_utils import tensor_tree_map class ExponentialMovingAverage: """ Maintains moving averages of parameters with exponential decay At each step, the stored copy `copy` of each parameter `param` is updated as follows: `copy = decay * copy + (1 - decay) * param` where `decay` is an attribute of the ExponentialMovingAverage object. """ def __init__(self, model: nn.Module, decay: float): """ Args: model: A torch.nn.Module whose parameters are to be tracked decay: A value (usually close to 1.) by which updates are weighted as part of the above formula """ super(ExponentialMovingAverage, self).__init__() clone_param = lambda t: t.clone().detach() self.params = tensor_tree_map(clone_param, model.state_dict()) self.decay = decay self.device = next(model.parameters()).device def to(self, device): self.params = tensor_tree_map(lambda t: t.to(device), self.params) self.device = device def _update_state_dict_(self, update, state_dict): with torch.no_grad(): for k, v in update.items(): stored = state_dict[k] if not isinstance(v, torch.Tensor): self._update_state_dict_(v, stored) else: diff = stored - v diff *= 1 - self.decay stored -= diff def update(self, model: torch.nn.Module) -> None: """ Updates the stored parameters using the state dict of the provided module. The module should have the same structure as that used to initialize the ExponentialMovingAverage object. """ self._update_state_dict_(model.state_dict(), self.params) def load_state_dict(self, state_dict: OrderedDict) -> None: for k in state_dict["params"].keys(): self.params[k] = state_dict["params"][k].clone() self.decay = state_dict["decay"] def state_dict(self) -> OrderedDict: return OrderedDict( { "params": self.params, "decay": self.decay, } ) ================================================ FILE: vendor/openfold/openfold/utils/feats.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import math import numpy as np import torch import torch.nn as nn from typing import Dict from openfold.np import protein import openfold.np.residue_constants as rc from openfold.utils.rigid_utils import Rotation, Rigid from openfold.utils.tensor_utils import ( batched_gather, one_hot, tree_map, tensor_tree_map, ) def pseudo_beta_fn(aatype, all_atom_positions, all_atom_masks): is_gly = aatype == rc.restype_order["G"] ca_idx = rc.atom_order["CA"] cb_idx = rc.atom_order["CB"] pseudo_beta = torch.where( is_gly[..., None].expand(*((-1,) * len(is_gly.shape)), 3), all_atom_positions[..., ca_idx, :], all_atom_positions[..., cb_idx, :], ) if all_atom_masks is not None: pseudo_beta_mask = torch.where( is_gly, all_atom_masks[..., ca_idx], all_atom_masks[..., cb_idx], ) return pseudo_beta, pseudo_beta_mask else: return pseudo_beta def atom14_to_atom37(atom14, batch): atom37_data = batched_gather( atom14, batch["residx_atom37_to_atom14"], dim=-2, no_batch_dims=len(atom14.shape[:-2]), ) atom37_data = atom37_data * batch["atom37_atom_exists"][..., None] return atom37_data def build_template_angle_feat(template_feats): template_aatype = template_feats["template_aatype"] torsion_angles_sin_cos = template_feats["template_torsion_angles_sin_cos"] alt_torsion_angles_sin_cos = template_feats[ "template_alt_torsion_angles_sin_cos" ] torsion_angles_mask = template_feats["template_torsion_angles_mask"] template_angle_feat = torch.cat( [ nn.functional.one_hot(template_aatype, 22), torsion_angles_sin_cos.reshape( *torsion_angles_sin_cos.shape[:-2], 14 ), alt_torsion_angles_sin_cos.reshape( *alt_torsion_angles_sin_cos.shape[:-2], 14 ), torsion_angles_mask, ], dim=-1, ) return template_angle_feat def build_template_pair_feat( batch, min_bin, max_bin, no_bins, use_unit_vector=False, eps=1e-20, inf=1e8 ): template_mask = batch["template_pseudo_beta_mask"] template_mask_2d = template_mask[..., None] * template_mask[..., None, :] # Compute distogram (this seems to differ slightly from Alg. 5) tpb = batch["template_pseudo_beta"] dgram = torch.sum( (tpb[..., None, :] - tpb[..., None, :, :]) ** 2, dim=-1, keepdim=True ) lower = torch.linspace(min_bin, max_bin, no_bins, device=tpb.device) ** 2 upper = torch.cat([lower[1:], lower.new_tensor([inf])], dim=-1) dgram = ((dgram > lower) * (dgram < upper)).type(dgram.dtype) to_concat = [dgram, template_mask_2d[..., None]] aatype_one_hot = nn.functional.one_hot( batch["template_aatype"], rc.restype_num + 2, ) n_res = batch["template_aatype"].shape[-1] to_concat.append( aatype_one_hot[..., None, :, :].expand( *aatype_one_hot.shape[:-2], n_res, -1, -1 ) ) to_concat.append( aatype_one_hot[..., None, :].expand( *aatype_one_hot.shape[:-2], -1, n_res, -1 ) ) n, ca, c = [rc.atom_order[a] for a in ["N", "CA", "C"]] rigids = Rigid.make_transform_from_reference( n_xyz=batch["template_all_atom_positions"][..., n, :], ca_xyz=batch["template_all_atom_positions"][..., ca, :], c_xyz=batch["template_all_atom_positions"][..., c, :], eps=eps, ) points = rigids.get_trans()[..., None, :, :] rigid_vec = rigids[..., None].invert_apply(points) inv_distance_scalar = torch.rsqrt(eps + torch.sum(rigid_vec ** 2, dim=-1)) t_aa_masks = batch["template_all_atom_mask"] template_mask = ( t_aa_masks[..., n] * t_aa_masks[..., ca] * t_aa_masks[..., c] ) template_mask_2d = template_mask[..., None] * template_mask[..., None, :] inv_distance_scalar = inv_distance_scalar * template_mask_2d unit_vector = rigid_vec * inv_distance_scalar[..., None] if(not use_unit_vector): unit_vector = unit_vector * 0. to_concat.extend(torch.unbind(unit_vector[..., None, :], dim=-1)) to_concat.append(template_mask_2d[..., None]) act = torch.cat(to_concat, dim=-1) act = act * template_mask_2d[..., None] return act def build_extra_msa_feat(batch): msa_1hot = nn.functional.one_hot(batch["extra_msa"], 23) msa_feat = [ msa_1hot, batch["extra_has_deletion"].unsqueeze(-1), batch["extra_deletion_value"].unsqueeze(-1), ] return torch.cat(msa_feat, dim=-1) def torsion_angles_to_frames( r: Rigid, alpha: torch.Tensor, aatype: torch.Tensor, rrgdf: torch.Tensor, ): # [*, N, 8, 4, 4] default_4x4 = rrgdf[aatype, ...] # [*, N, 8] transformations, i.e. # One [*, N, 8, 3, 3] rotation matrix and # One [*, N, 8, 3] translation matrix default_r = r.from_tensor_4x4(default_4x4) bb_rot = alpha.new_zeros((*((1,) * len(alpha.shape[:-1])), 2)) bb_rot[..., 1] = 1 # [*, N, 8, 2] alpha = torch.cat( [bb_rot.expand(*alpha.shape[:-2], -1, -1), alpha], dim=-2 ) # [*, N, 8, 3, 3] # Produces rotation matrices of the form: # [ # [1, 0 , 0 ], # [0, a_2,-a_1], # [0, a_1, a_2] # ] # This follows the original code rather than the supplement, which uses # different indices. all_rots = alpha.new_zeros(default_r.get_rots().get_rot_mats().shape) all_rots[..., 0, 0] = 1 all_rots[..., 1, 1] = alpha[..., 1] all_rots[..., 1, 2] = -alpha[..., 0] all_rots[..., 2, 1:] = alpha all_rots = Rigid(Rotation(rot_mats=all_rots), None) all_frames = default_r.compose(all_rots) chi2_frame_to_frame = all_frames[..., 5] chi3_frame_to_frame = all_frames[..., 6] chi4_frame_to_frame = all_frames[..., 7] chi1_frame_to_bb = all_frames[..., 4] chi2_frame_to_bb = chi1_frame_to_bb.compose(chi2_frame_to_frame) chi3_frame_to_bb = chi2_frame_to_bb.compose(chi3_frame_to_frame) chi4_frame_to_bb = chi3_frame_to_bb.compose(chi4_frame_to_frame) all_frames_to_bb = Rigid.cat( [ all_frames[..., :5], chi2_frame_to_bb.unsqueeze(-1), chi3_frame_to_bb.unsqueeze(-1), chi4_frame_to_bb.unsqueeze(-1), ], dim=-1, ) all_frames_to_global = r[..., None].compose(all_frames_to_bb) return all_frames_to_global def frames_and_literature_positions_to_atom14_pos( r: Rigid, aatype: torch.Tensor, default_frames, group_idx, atom_mask, lit_positions, ): # [*, N, 14, 4, 4] default_4x4 = default_frames[aatype, ...] # [*, N, 14] group_mask = group_idx[aatype, ...] # [*, N, 14, 8] group_mask = nn.functional.one_hot( group_mask, num_classes=default_frames.shape[-3], ) # [*, N, 14, 8] t_atoms_to_global = r[..., None, :] * group_mask # [*, N, 14] t_atoms_to_global = t_atoms_to_global.map_tensor_fn( lambda x: torch.sum(x, dim=-1) ) # [*, N, 14, 1] atom_mask = atom_mask[aatype, ...].unsqueeze(-1) # [*, N, 14, 3] lit_positions = lit_positions[aatype, ...] pred_positions = t_atoms_to_global.apply(lit_positions) pred_positions = pred_positions * atom_mask return pred_positions ================================================ FILE: vendor/openfold/openfold/utils/import_weights.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from enum import Enum from dataclasses import dataclass from functools import partial import numpy as np import torch from typing import Union, List _NPZ_KEY_PREFIX = "alphafold/alphafold_iteration/" # With Param, a poor man's enum with attributes (Rust-style) class ParamType(Enum): LinearWeight = partial( # hack: partial prevents fns from becoming methods lambda w: w.transpose(-1, -2) ) LinearWeightMHA = partial( lambda w: w.reshape(*w.shape[:-2], -1).transpose(-1, -2) ) LinearMHAOutputWeight = partial( lambda w: w.reshape(*w.shape[:-3], -1, w.shape[-1]).transpose(-1, -2) ) LinearBiasMHA = partial(lambda w: w.reshape(*w.shape[:-2], -1)) LinearWeightOPM = partial( lambda w: w.reshape(*w.shape[:-3], -1, w.shape[-1]).transpose(-1, -2) ) Other = partial(lambda w: w) def __init__(self, fn): self.transformation = fn @dataclass class Param: param: Union[torch.Tensor, List[torch.Tensor]] param_type: ParamType = ParamType.Other stacked: bool = False def process_translation_dict(d, top_layer=True): flat = {} for k, v in d.items(): if type(v) == dict: prefix = _NPZ_KEY_PREFIX if top_layer else "" sub_flat = { (prefix + "/".join([k, k_prime])): v_prime for k_prime, v_prime in process_translation_dict( v, top_layer=False ).items() } flat.update(sub_flat) else: k = "/" + k if not top_layer else k flat[k] = v return flat def stacked(param_dict_list, out=None): """ Args: param_dict_list: A list of (nested) Param dicts to stack. The structure of each dict must be the identical (down to the ParamTypes of "parallel" Params). There must be at least one dict in the list. """ if out is None: out = {} template = param_dict_list[0] for k, _ in template.items(): v = [d[k] for d in param_dict_list] if type(v[0]) is dict: out[k] = {} stacked(v, out=out[k]) elif type(v[0]) is Param: stacked_param = Param( param=[param.param for param in v], param_type=v[0].param_type, stacked=True, ) out[k] = stacked_param return out def assign(translation_dict, orig_weights): for k, param in translation_dict.items(): with torch.no_grad(): weights = torch.as_tensor(orig_weights[k]) ref, param_type = param.param, param.param_type if param.stacked: weights = torch.unbind(weights, 0) else: weights = [weights] ref = [ref] try: weights = list(map(param_type.transformation, weights)) for p, w in zip(ref, weights): p.copy_(w) except: print(k) print(ref[0].shape) print(weights[0].shape) raise def generate_translation_dict(model, version): ####################### # Some templates ####################### LinearWeight = lambda l: (Param(l, param_type=ParamType.LinearWeight)) LinearBias = lambda l: (Param(l)) LinearWeightMHA = lambda l: (Param(l, param_type=ParamType.LinearWeightMHA)) LinearBiasMHA = lambda b: (Param(b, param_type=ParamType.LinearBiasMHA)) LinearWeightOPM = lambda l: (Param(l, param_type=ParamType.LinearWeightOPM)) LinearParams = lambda l: { "weights": LinearWeight(l.weight), "bias": LinearBias(l.bias), } LayerNormParams = lambda l: { "scale": Param(l.weight), "offset": Param(l.bias), } AttentionParams = lambda att: { "query_w": LinearWeightMHA(att.linear_q.weight), "key_w": LinearWeightMHA(att.linear_k.weight), "value_w": LinearWeightMHA(att.linear_v.weight), "output_w": Param( att.linear_o.weight, param_type=ParamType.LinearMHAOutputWeight, ), "output_b": LinearBias(att.linear_o.bias), } AttentionGatedParams = lambda att: dict( **AttentionParams(att), **{ "gating_w": LinearWeightMHA(att.linear_g.weight), "gating_b": LinearBiasMHA(att.linear_g.bias), }, ) GlobalAttentionParams = lambda att: dict( AttentionGatedParams(att), key_w=LinearWeight(att.linear_k.weight), value_w=LinearWeight(att.linear_v.weight), ) TriAttParams = lambda tri_att: { "query_norm": LayerNormParams(tri_att.layer_norm), "feat_2d_weights": LinearWeight(tri_att.linear.weight), "attention": AttentionGatedParams(tri_att.mha), } TriMulOutParams = lambda tri_mul: { "layer_norm_input": LayerNormParams(tri_mul.layer_norm_in), "left_projection": LinearParams(tri_mul.linear_a_p), "right_projection": LinearParams(tri_mul.linear_b_p), "left_gate": LinearParams(tri_mul.linear_a_g), "right_gate": LinearParams(tri_mul.linear_b_g), "center_layer_norm": LayerNormParams(tri_mul.layer_norm_out), "output_projection": LinearParams(tri_mul.linear_z), "gating_linear": LinearParams(tri_mul.linear_g), } # see commit b88f8da on the Alphafold repo # Alphafold swaps the pseudocode's a and b between the incoming/outcoming # iterations of triangle multiplication, which is confusing and not # reproduced in our implementation. TriMulInParams = lambda tri_mul: { "layer_norm_input": LayerNormParams(tri_mul.layer_norm_in), "left_projection": LinearParams(tri_mul.linear_b_p), "right_projection": LinearParams(tri_mul.linear_a_p), "left_gate": LinearParams(tri_mul.linear_b_g), "right_gate": LinearParams(tri_mul.linear_a_g), "center_layer_norm": LayerNormParams(tri_mul.layer_norm_out), "output_projection": LinearParams(tri_mul.linear_z), "gating_linear": LinearParams(tri_mul.linear_g), } PairTransitionParams = lambda pt: { "input_layer_norm": LayerNormParams(pt.layer_norm), "transition1": LinearParams(pt.linear_1), "transition2": LinearParams(pt.linear_2), } MSAAttParams = lambda matt: { "query_norm": LayerNormParams(matt.layer_norm_m), "attention": AttentionGatedParams(matt.mha), } MSAColAttParams = lambda matt: { "query_norm": LayerNormParams(matt._msa_att.layer_norm_m), "attention": AttentionGatedParams(matt._msa_att.mha), } MSAGlobalAttParams = lambda matt: { "query_norm": LayerNormParams(matt.layer_norm_m), "attention": GlobalAttentionParams(matt.global_attention), } MSAAttPairBiasParams = lambda matt: dict( **MSAAttParams(matt), **{ "feat_2d_norm": LayerNormParams(matt.layer_norm_z), "feat_2d_weights": LinearWeight(matt.linear_z.weight), }, ) IPAParams = lambda ipa: { "q_scalar": LinearParams(ipa.linear_q), "kv_scalar": LinearParams(ipa.linear_kv), "q_point_local": LinearParams(ipa.linear_q_points), "kv_point_local": LinearParams(ipa.linear_kv_points), "trainable_point_weights": Param( param=ipa.head_weights, param_type=ParamType.Other ), "attention_2d": LinearParams(ipa.linear_b), "output_projection": LinearParams(ipa.linear_out), } TemplatePairBlockParams = lambda b: { "triangle_attention_starting_node": TriAttParams(b.tri_att_start), "triangle_attention_ending_node": TriAttParams(b.tri_att_end), "triangle_multiplication_outgoing": TriMulOutParams(b.tri_mul_out), "triangle_multiplication_incoming": TriMulInParams(b.tri_mul_in), "pair_transition": PairTransitionParams(b.pair_transition), } MSATransitionParams = lambda m: { "input_layer_norm": LayerNormParams(m.layer_norm), "transition1": LinearParams(m.linear_1), "transition2": LinearParams(m.linear_2), } OuterProductMeanParams = lambda o: { "layer_norm_input": LayerNormParams(o.layer_norm), "left_projection": LinearParams(o.linear_1), "right_projection": LinearParams(o.linear_2), "output_w": LinearWeightOPM(o.linear_out.weight), "output_b": LinearBias(o.linear_out.bias), } def EvoformerBlockParams(b, is_extra_msa=False): if is_extra_msa: col_att_name = "msa_column_global_attention" msa_col_att_params = MSAGlobalAttParams(b.msa_att_col) else: col_att_name = "msa_column_attention" msa_col_att_params = MSAColAttParams(b.msa_att_col) d = { "msa_row_attention_with_pair_bias": MSAAttPairBiasParams( b.msa_att_row ), col_att_name: msa_col_att_params, "msa_transition": MSATransitionParams(b.core.msa_transition), "outer_product_mean": OuterProductMeanParams(b.core.outer_product_mean), "triangle_multiplication_outgoing": TriMulOutParams(b.core.tri_mul_out), "triangle_multiplication_incoming": TriMulInParams(b.core.tri_mul_in), "triangle_attention_starting_node": TriAttParams(b.core.tri_att_start), "triangle_attention_ending_node": TriAttParams(b.core.tri_att_end), "pair_transition": PairTransitionParams(b.core.pair_transition), } return d ExtraMSABlockParams = partial(EvoformerBlockParams, is_extra_msa=True) FoldIterationParams = lambda sm: { "invariant_point_attention": IPAParams(sm.ipa), "attention_layer_norm": LayerNormParams(sm.layer_norm_ipa), "transition": LinearParams(sm.transition.layers[0].linear_1), "transition_1": LinearParams(sm.transition.layers[0].linear_2), "transition_2": LinearParams(sm.transition.layers[0].linear_3), "transition_layer_norm": LayerNormParams(sm.transition.layer_norm), "affine_update": LinearParams(sm.bb_update.linear), "rigid_sidechain": { "input_projection": LinearParams(sm.angle_resnet.linear_in), "input_projection_1": LinearParams(sm.angle_resnet.linear_initial), "resblock1": LinearParams(sm.angle_resnet.layers[0].linear_1), "resblock2": LinearParams(sm.angle_resnet.layers[0].linear_2), "resblock1_1": LinearParams(sm.angle_resnet.layers[1].linear_1), "resblock2_1": LinearParams(sm.angle_resnet.layers[1].linear_2), "unnormalized_angles": LinearParams(sm.angle_resnet.linear_out), }, } ############################ # translations dict overflow ############################ ems_blocks = model.extra_msa_stack.blocks ems_blocks_params = stacked([ExtraMSABlockParams(b) for b in ems_blocks]) evo_blocks = model.evoformer.blocks evo_blocks_params = stacked([EvoformerBlockParams(b) for b in evo_blocks]) translations = { "evoformer": { "preprocess_1d": LinearParams(model.input_embedder.linear_tf_m), "preprocess_msa": LinearParams(model.input_embedder.linear_msa_m), "left_single": LinearParams(model.input_embedder.linear_tf_z_i), "right_single": LinearParams(model.input_embedder.linear_tf_z_j), "prev_pos_linear": LinearParams(model.recycling_embedder.linear), "prev_msa_first_row_norm": LayerNormParams( model.recycling_embedder.layer_norm_m ), "prev_pair_norm": LayerNormParams( model.recycling_embedder.layer_norm_z ), "pair_activiations": LinearParams( model.input_embedder.linear_relpos ), "extra_msa_activations": LinearParams( model.extra_msa_embedder.linear ), "extra_msa_stack": ems_blocks_params, "evoformer_iteration": evo_blocks_params, "single_activations": LinearParams(model.evoformer.linear), }, "structure_module": { "single_layer_norm": LayerNormParams( model.structure_module.layer_norm_s ), "initial_projection": LinearParams( model.structure_module.linear_in ), "pair_layer_norm": LayerNormParams( model.structure_module.layer_norm_z ), "fold_iteration": FoldIterationParams(model.structure_module), }, "predicted_lddt_head": { "input_layer_norm": LayerNormParams( model.aux_heads.plddt.layer_norm ), "act_0": LinearParams(model.aux_heads.plddt.linear_1), "act_1": LinearParams(model.aux_heads.plddt.linear_2), "logits": LinearParams(model.aux_heads.plddt.linear_3), }, "distogram_head": { "half_logits": LinearParams(model.aux_heads.distogram.linear), }, "experimentally_resolved_head": { "logits": LinearParams( model.aux_heads.experimentally_resolved.linear ), }, "masked_msa_head": { "logits": LinearParams(model.aux_heads.masked_msa.linear), }, } no_templ = [ "model_3", "model_4", "model_5", "model_3_ptm", "model_4_ptm", "model_5_ptm", ] if version not in no_templ: tps_blocks = model.template_pair_stack.blocks tps_blocks_params = stacked( [TemplatePairBlockParams(b) for b in tps_blocks] ) template_param_dict = { "template_embedding": { "single_template_embedding": { "embedding2d": LinearParams( model.template_pair_embedder.linear ), "template_pair_stack": { "__layer_stack_no_state": tps_blocks_params, }, "output_layer_norm": LayerNormParams( model.template_pair_stack.layer_norm ), }, "attention": AttentionParams(model.template_pointwise_att.mha), }, "template_single_embedding": LinearParams( model.template_angle_embedder.linear_1 ), "template_projection": LinearParams( model.template_angle_embedder.linear_2 ), } translations["evoformer"].update(template_param_dict) if "_ptm" in version: translations["predicted_aligned_error_head"] = { "logits": LinearParams(model.aux_heads.tm.linear) } return translations def import_jax_weights_(model, npz_path, version="model_1"): data = np.load(npz_path) translations = generate_translation_dict(model, version) # Flatten keys and insert missing key prefixes flat = process_translation_dict(translations) # Sanity check keys = list(data.keys()) flat_keys = list(flat.keys()) incorrect = [k for k in flat_keys if k not in keys] missing = [k for k in keys if k not in flat_keys] # print(f"Incorrect: {incorrect}") # print(f"Missing: {missing}") assert len(incorrect) == 0 # assert(sorted(list(flat.keys())) == sorted(list(data.keys()))) # Set weights assign(flat, data) ================================================ FILE: vendor/openfold/openfold/utils/kernel/__init__.py ================================================ ================================================ FILE: vendor/openfold/openfold/utils/kernel/attention_core.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import importlib from functools import reduce from operator import mul import torch attn_core_inplace_cuda = importlib.import_module("attn_core_inplace_cuda") SUPPORTED_DTYPES = [torch.float32, torch.bfloat16] class AttentionCoreFunction(torch.autograd.Function): @staticmethod def forward(ctx, q, k, v, bias_1=None, bias_2=None): if(bias_1 is None and bias_2 is not None): raise ValueError("bias_1 must be specified before bias_2") if(q.dtype not in SUPPORTED_DTYPES): raise ValueError("Unsupported datatype") q = q.contiguous() k = k.contiguous() # [*, H, Q, K] attention_logits = torch.matmul( q, k.transpose(-1, -2), ) if(bias_1 is not None): attention_logits += bias_1 if(bias_2 is not None): attention_logits += bias_2 attn_core_inplace_cuda.forward_( attention_logits, reduce(mul, attention_logits.shape[:-1]), attention_logits.shape[-1], ) o = torch.matmul(attention_logits, v) ctx.bias_1_shape = bias_1.shape if bias_1 is not None else None ctx.bias_2_shape = bias_2.shape if bias_2 is not None else None ctx.save_for_backward(q, k, v, attention_logits) return o @staticmethod def backward(ctx, grad_output): q, k, v, attention_logits = ctx.saved_tensors grad_q = grad_k = grad_v = grad_bias_1 = grad_bias_2 = None grad_v = torch.matmul( attention_logits.transpose(-1, -2), grad_output ) attn_core_inplace_cuda.backward_( attention_logits, grad_output.contiguous(), v.contiguous(), # v is implicitly transposed in the kernel reduce(mul, attention_logits.shape[:-1]), attention_logits.shape[-1], grad_output.shape[-1], ) if(ctx.bias_1_shape is not None): grad_bias_1 = torch.sum( attention_logits, dim=tuple(i for i,d in enumerate(ctx.bias_1_shape) if d == 1), keepdim=True, ) if(ctx.bias_2_shape is not None): grad_bias_2 = torch.sum( attention_logits, dim=tuple(i for i,d in enumerate(ctx.bias_2_shape) if d == 1), keepdim=True, ) grad_q = torch.matmul( attention_logits, k ) grad_k = torch.matmul( q.transpose(-1, -2), attention_logits, ).transpose(-1, -2) return grad_q, grad_k, grad_v, grad_bias_1, grad_bias_2 attention_core = AttentionCoreFunction.apply ================================================ FILE: vendor/openfold/openfold/utils/kernel/csrc/compat.h ================================================ // modified from https://github.com/NVIDIA/apex/blob/master/csrc/compat.h #ifndef TORCH_CHECK #define TORCH_CHECK AT_CHECK #endif #ifdef VERSION_GE_1_3 #define DATA_PTR data_ptr #else #define DATA_PTR data #endif ================================================ FILE: vendor/openfold/openfold/utils/kernel/csrc/softmax_cuda.cpp ================================================ // Copyright 2021 AlQuraishi Laboratory // // Licensed under the Apache License, Version 2.0 (the "License"); // you may not use this file except in compliance with the License. // You may obtain a copy of the License at // // http://www.apache.org/licenses/LICENSE-2.0 // // Unless required by applicable law or agreed to in writing, software // distributed under the License is distributed on an "AS IS" BASIS, // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. // See the License for the specific language governing permissions and // limitations under the License. // modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda.cpp #include void attn_softmax_inplace_forward_( at::Tensor input, long long rows, int cols ); void attn_softmax_inplace_backward_( at::Tensor output, at::Tensor d_ov, at::Tensor values, long long rows, int cols_output, int cols_values ); PYBIND11_MODULE(TORCH_EXTENSION_NAME, m) { m.def( "forward_", &attn_softmax_inplace_forward_, "Softmax forward (CUDA)" ); m.def( "backward_", &attn_softmax_inplace_backward_, "Softmax backward (CUDA)" ); } ================================================ FILE: vendor/openfold/openfold/utils/kernel/csrc/softmax_cuda_kernel.cu ================================================ // Copyright 2021 AlQuraishi Laboratory // // Licensed under the Apache License, Version 2.0 (the "License"); // you may not use this file except in compliance with the License. // You may obtain a copy of the License at // // http://www.apache.org/licenses/LICENSE-2.0 // // Unless required by applicable law or agreed to in writing, software // distributed under the License is distributed on an "AS IS" BASIS, // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. // See the License for the specific language governing permissions and // limitations under the License. // modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda_kernel.cu #include #include #include #include #include "ATen/ATen.h" #include "ATen/cuda/CUDAContext.h" #include "compat.h" #define CHECK_CUDA(x) TORCH_CHECK(x.is_cuda(), #x " must be a CUDA tensor") #define CHECK_CONTIGUOUS(x) TORCH_CHECK(x.is_contiguous(), #x " must be contiguous") #define CHECK_INPUT(x) \ CHECK_CUDA(x); \ CHECK_CONTIGUOUS(x) __inline__ __device__ float WarpAllReduceMax(float val) { for (int mask = 1; mask < 32; mask *= 2) { val = max(val, __shfl_xor_sync(0xffffffff, val, mask)); } return val; } __inline__ __device__ float WarpAllReduceSum(float val) { for (int mask = 1; mask < 32; mask *= 2) { val += __shfl_xor_sync(0xffffffff, val, mask); } return val; } template __global__ void attn_softmax_inplace_( T *input, long long rows, int cols ) { int threadidx_x = threadIdx.x / 32; int threadidx_y = threadIdx.x % 32; long long row_offset = (long long)(blockIdx.x * 4 + threadidx_x); int cols_per_thread = (cols + 31) / 32; int cols_this_thread = cols_per_thread; int last_y = (cols / cols_per_thread); if (threadidx_y == last_y) { cols_this_thread = cols - cols_per_thread * last_y; } else if (threadidx_y > last_y) { cols_this_thread = 0; } float buf[32]; int lane_id = threadidx_y; if (row_offset < rows) { T *row_input = input + row_offset * cols; T *row_output = row_input; #pragma unroll for (int i = 0; i < cols_this_thread; i++) { int idx = lane_id * cols_per_thread + i; buf[i] = static_cast(row_input[idx]); } float thread_max = -1 * CUDART_INF_F; #pragma unroll for (int i = 0; i < cols_this_thread; i++) { thread_max = max(thread_max, buf[i]); } float warp_max = WarpAllReduceMax(thread_max); float thread_sum = 0.f; #pragma unroll for (int i = 0; i < cols_this_thread; i++) { buf[i] = __expf(buf[i] - warp_max); thread_sum += buf[i]; } float warp_sum = WarpAllReduceSum(thread_sum); #pragma unroll for (int i = 0; i < cols_this_thread; i++) { row_output[lane_id * cols_per_thread + i] = static_cast(__fdividef(buf[i], warp_sum)); } } } void attn_softmax_inplace_forward_( at::Tensor input, long long rows, int cols ) { CHECK_INPUT(input); const at::cuda::OptionalCUDAGuard device_guard(device_of(input)); int grid = (rows + 3) / 4; dim3 block(128); if (input.dtype() == torch::kFloat32) { attn_softmax_inplace_<<>>( (float *)input.data_ptr(), rows, cols ); } else { attn_softmax_inplace_<<>>( (at::BFloat16 *)input.data_ptr(), rows, cols ); } } template __global__ void attn_softmax_inplace_grad_( T *output, T *d_ov, T *values, long long rows, int cols_output, int cols_values ) { int threadidx_x = threadIdx.x / 32; int threadidx_y = threadIdx.x % 32; long long row_offset = (long long)(blockIdx.x * 4 + threadidx_x); int cols_per_thread = (cols_output + 31) / 32; int cols_this_thread = cols_per_thread; int rows_values = cols_output; // values are set to the beginning of the current // rows_values x cols_values leaf matrix long long value_row_offset = row_offset - row_offset % rows_values; int last_y = (cols_output / cols_per_thread); if (threadidx_y == last_y) { cols_this_thread = cols_output - cols_per_thread * last_y; } else if (threadidx_y > last_y) { cols_this_thread = 0; } float y_buf[32]; float dy_buf[32]; int lane_id = threadidx_y; if (row_offset < rows) { T *row_output = output + row_offset * cols_output; T *row_d_ov = d_ov + row_offset * cols_values; T *row_values = values + value_row_offset * cols_values; float thread_max = -1 * CUDART_INF_F; // Compute a chunk of the output gradient on the fly int value_row_idx = 0; int value_idx = 0; #pragma unroll for (int i = 0; i < cols_this_thread; i++) { T sum = 0.; #pragma unroll for (int j = 0; j < cols_values; j++) { value_row_idx = ((lane_id * cols_per_thread) + i); value_idx = value_row_idx * cols_values + j; sum += row_d_ov[j] * row_values[value_idx]; } dy_buf[i] = static_cast(sum); } #pragma unroll for (int i = 0; i < cols_this_thread; i++) { y_buf[i] = static_cast(row_output[lane_id * cols_per_thread + i]); } float thread_sum = 0.; #pragma unroll for (int i = 0; i < cols_this_thread; i++) { thread_sum += y_buf[i] * dy_buf[i]; } float warp_sum = WarpAllReduceSum(thread_sum); #pragma unroll for (int i = 0; i < cols_this_thread; i++) { row_output[lane_id * cols_per_thread + i] = static_cast( (dy_buf[i] - warp_sum) * y_buf[i] ); } } } void attn_softmax_inplace_backward_( at::Tensor output, at::Tensor d_ov, at::Tensor values, long long rows, int cols_output, int cols_values ) { CHECK_INPUT(output); CHECK_INPUT(d_ov); CHECK_INPUT(values); const at::cuda::OptionalCUDAGuard device_guard(device_of(output)); int grid = (rows + 3) / 4; dim3 block(128); if (output.dtype() == torch::kFloat32) { attn_softmax_inplace_grad_<<>>( (float *)output.data_ptr(), (float *)d_ov.data_ptr(), (float *)values.data_ptr(), rows, cols_output, cols_values ); } else { attn_softmax_inplace_grad_<<>>( (at::BFloat16 *)output.data_ptr(), (at::BFloat16 *)d_ov.data_ptr(), (at::BFloat16 *)values.data_ptr(), rows, cols_output, cols_values ); } } ================================================ FILE: vendor/openfold/openfold/utils/kernel/csrc/softmax_cuda_stub.cpp ================================================ // Copyright 2021 AlQuraishi Laboratory // // Licensed under the Apache License, Version 2.0 (the "License"); // you may not use this file except in compliance with the License. // You may obtain a copy of the License at // // http://www.apache.org/licenses/LICENSE-2.0 // // Unless required by applicable law or agreed to in writing, software // distributed under the License is distributed on an "AS IS" BASIS, // WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. // See the License for the specific language governing permissions and // limitations under the License. // modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda.cpp #include void attn_softmax_inplace_forward_( at::Tensor input, long long rows, int cols ) { throw std::runtime_error("attn_softmax_inplace_forward_ not implemented on CPU"); }; void attn_softmax_inplace_backward_( at::Tensor output, at::Tensor d_ov, at::Tensor values, long long rows, int cols_output, int cols_values ) { throw std::runtime_error("attn_softmax_inplace_backward_ not implemented on CPU"); }; ================================================ FILE: vendor/openfold/openfold/utils/logger.py ================================================ # Copyright (c) 2021, NVIDIA CORPORATION. All rights reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import os import operator import time import dllogger as logger from dllogger import JSONStreamBackend, StdOutBackend, Verbosity import numpy as np from pytorch_lightning import Callback import torch.cuda.profiler as profiler def is_main_process(): return int(os.getenv("LOCAL_RANK", "0")) == 0 class PerformanceLoggingCallback(Callback): def __init__(self, log_file, global_batch_size, warmup_steps: int = 0, profile: bool = False): logger.init(backends=[JSONStreamBackend(Verbosity.VERBOSE, log_file), StdOutBackend(Verbosity.VERBOSE)]) self.warmup_steps = warmup_steps self.global_batch_size = global_batch_size self.step = 0 self.profile = profile self.timestamps = [] def do_step(self): self.step += 1 if self.profile and self.step == self.warmup_steps: profiler.start() if self.step > self.warmup_steps: self.timestamps.append(time.time()) def on_train_batch_start(self, trainer, pl_module, batch, batch_idx, dataloader_idx): self.do_step() def on_test_batch_start(self, trainer, pl_module, batch, batch_idx, dataloader_idx): self.do_step() def process_performance_stats(self, deltas): def _round3(val): return round(val, 3) throughput_imgps = _round3(self.global_batch_size / np.mean(deltas)) timestamps_ms = 1000 * deltas stats = { f"throughput": throughput_imgps, f"latency_mean": _round3(timestamps_ms.mean()), } for level in [90, 95, 99]: stats.update({f"latency_{level}": _round3(np.percentile(timestamps_ms, level))}) return stats def _log(self): if is_main_process(): diffs = list(map(operator.sub, self.timestamps[1:], self.timestamps[:-1])) deltas = np.array(diffs) stats = self.process_performance_stats(deltas) logger.log(step=(), data=stats) logger.flush() def on_train_end(self, trainer, pl_module): if self.profile: profiler.stop() self._log() def on_epoch_end(self, trainer, pl_module): self._log() ================================================ FILE: vendor/openfold/openfold/utils/loss.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import logging import ml_collections import numpy as np import torch import torch.nn as nn from torch.distributions.bernoulli import Bernoulli from typing import Dict, Optional, Tuple from openfold.np import residue_constants from openfold.utils import feats from openfold.utils.rigid_utils import Rotation, Rigid from openfold.utils.tensor_utils import ( tree_map, tensor_tree_map, masked_mean, permute_final_dims, batched_gather, ) def softmax_cross_entropy(logits, labels): loss = -1 * torch.sum( labels * torch.nn.functional.log_softmax(logits, dim=-1), dim=-1, ) return loss def sigmoid_cross_entropy(logits, labels): logits_dtype = logits.dtype logits = logits.double() labels = labels.double() log_p = torch.nn.functional.logsigmoid(logits) # log_p = torch.log(torch.sigmoid(logits)) log_not_p = torch.nn.functional.logsigmoid(-1 * logits) # log_not_p = torch.log(torch.sigmoid(-logits)) loss = (-1. * labels) * log_p - (1. - labels) * log_not_p loss = loss.to(dtype=logits_dtype) return loss def torsion_angle_loss( a, # [*, N, 7, 2] a_gt, # [*, N, 7, 2] a_alt_gt, # [*, N, 7, 2] ): # [*, N, 7] norm = torch.norm(a, dim=-1) # [*, N, 7, 2] a = a / norm.unsqueeze(-1) # [*, N, 7] diff_norm_gt = torch.norm(a - a_gt, dim=-1) diff_norm_alt_gt = torch.norm(a - a_alt_gt, dim=-1) min_diff = torch.minimum(diff_norm_gt ** 2, diff_norm_alt_gt ** 2) # [*] l_torsion = torch.mean(min_diff, dim=(-1, -2)) l_angle_norm = torch.mean(torch.abs(norm - 1), dim=(-1, -2)) an_weight = 0.02 return l_torsion + an_weight * l_angle_norm def compute_fape( pred_frames: Rigid, target_frames: Rigid, frames_mask: torch.Tensor, pred_positions: torch.Tensor, target_positions: torch.Tensor, positions_mask: torch.Tensor, length_scale: float, l1_clamp_distance: Optional[float] = None, eps=1e-8, ) -> torch.Tensor: """ Computes FAPE loss. Args: pred_frames: [*, N_frames] Rigid object of predicted frames target_frames: [*, N_frames] Rigid object of ground truth frames frames_mask: [*, N_frames] binary mask for the frames pred_positions: [*, N_pts, 3] predicted atom positions target_positions: [*, N_pts, 3] ground truth positions positions_mask: [*, N_pts] positions mask length_scale: Length scale by which the loss is divided l1_clamp_distance: Cutoff above which distance errors are disregarded eps: Small value used to regularize denominators Returns: [*] loss tensor """ # [*, N_frames, N_pts, 3] local_pred_pos = pred_frames.invert()[..., None].apply( pred_positions[..., None, :, :], ) local_target_pos = target_frames.invert()[..., None].apply( target_positions[..., None, :, :], ) error_dist = torch.sqrt( torch.sum((local_pred_pos - local_target_pos) ** 2, dim=-1) + eps ) if l1_clamp_distance is not None: error_dist = torch.clamp(error_dist, min=0, max=l1_clamp_distance) normed_error = error_dist / length_scale normed_error = normed_error * frames_mask[..., None] normed_error = normed_error * positions_mask[..., None, :] # FP16-friendly averaging. Roughly equivalent to: # # norm_factor = ( # torch.sum(frames_mask, dim=-1) * # torch.sum(positions_mask, dim=-1) # ) # normed_error = torch.sum(normed_error, dim=(-1, -2)) / (eps + norm_factor) # # ("roughly" because eps is necessarily duplicated in the latter) normed_error = torch.sum(normed_error, dim=-1) normed_error = ( normed_error / (eps + torch.sum(frames_mask, dim=-1))[..., None] ) normed_error = torch.sum(normed_error, dim=-1) normed_error = normed_error / (eps + torch.sum(positions_mask, dim=-1)) return normed_error def backbone_loss( backbone_rigid_tensor: torch.Tensor, backbone_rigid_mask: torch.Tensor, traj: torch.Tensor, use_clamped_fape: Optional[torch.Tensor] = None, clamp_distance: float = 10.0, loss_unit_distance: float = 10.0, eps: float = 1e-4, **kwargs, ) -> torch.Tensor: pred_aff = Rigid.from_tensor_7(traj) pred_aff = Rigid( Rotation(rot_mats=pred_aff.get_rots().get_rot_mats(), quats=None), pred_aff.get_trans(), ) # DISCREPANCY: DeepMind somehow gets a hold of a tensor_7 version of # backbone tensor, normalizes it, and then turns it back to a rotation # matrix. To avoid a potentially numerically unstable rotation matrix # to quaternion conversion, we just use the original rotation matrix # outright. This one hasn't been composed a bunch of times, though, so # it might be fine. gt_aff = Rigid.from_tensor_4x4(backbone_rigid_tensor) fape_loss = compute_fape( pred_aff, gt_aff[None], backbone_rigid_mask[None], pred_aff.get_trans(), gt_aff[None].get_trans(), backbone_rigid_mask[None], l1_clamp_distance=clamp_distance, length_scale=loss_unit_distance, eps=eps, ) if use_clamped_fape is not None: unclamped_fape_loss = compute_fape( pred_aff, gt_aff[None], backbone_rigid_mask[None], pred_aff.get_trans(), gt_aff[None].get_trans(), backbone_rigid_mask[None], l1_clamp_distance=None, length_scale=loss_unit_distance, eps=eps, ) fape_loss = fape_loss * use_clamped_fape + unclamped_fape_loss * ( 1 - use_clamped_fape ) # Average over the batch dimension fape_loss = torch.mean(fape_loss) return fape_loss def sidechain_loss( sidechain_frames: torch.Tensor, sidechain_atom_pos: torch.Tensor, rigidgroups_gt_frames: torch.Tensor, rigidgroups_alt_gt_frames: torch.Tensor, rigidgroups_gt_exists: torch.Tensor, renamed_atom14_gt_positions: torch.Tensor, renamed_atom14_gt_exists: torch.Tensor, alt_naming_is_better: torch.Tensor, clamp_distance: float = 10.0, length_scale: float = 10.0, eps: float = 1e-4, **kwargs, ) -> torch.Tensor: renamed_gt_frames = ( 1.0 - alt_naming_is_better[..., None, None, None] ) * rigidgroups_gt_frames + alt_naming_is_better[ ..., None, None, None ] * rigidgroups_alt_gt_frames # Steamroll the inputs sidechain_frames = sidechain_frames[-1] batch_dims = sidechain_frames.shape[:-4] sidechain_frames = sidechain_frames.view(*batch_dims, -1, 4, 4) sidechain_frames = Rigid.from_tensor_4x4(sidechain_frames) renamed_gt_frames = renamed_gt_frames.view(*batch_dims, -1, 4, 4) renamed_gt_frames = Rigid.from_tensor_4x4(renamed_gt_frames) rigidgroups_gt_exists = rigidgroups_gt_exists.reshape(*batch_dims, -1) sidechain_atom_pos = sidechain_atom_pos[-1] sidechain_atom_pos = sidechain_atom_pos.view(*batch_dims, -1, 3) renamed_atom14_gt_positions = renamed_atom14_gt_positions.view( *batch_dims, -1, 3 ) renamed_atom14_gt_exists = renamed_atom14_gt_exists.view(*batch_dims, -1) fape = compute_fape( sidechain_frames, renamed_gt_frames, rigidgroups_gt_exists, sidechain_atom_pos, renamed_atom14_gt_positions, renamed_atom14_gt_exists, l1_clamp_distance=clamp_distance, length_scale=length_scale, eps=eps, ) return fape def fape_loss( out: Dict[str, torch.Tensor], batch: Dict[str, torch.Tensor], config: ml_collections.ConfigDict, ) -> torch.Tensor: bb_loss = backbone_loss( traj=out["sm"]["frames"], **{**batch, **config.backbone}, ) sc_loss = sidechain_loss( out["sm"]["sidechain_frames"], out["sm"]["positions"], **{**batch, **config.sidechain}, ) loss = config.backbone.weight * bb_loss + config.sidechain.weight * sc_loss # Average over the batch dimension loss = torch.mean(loss) return loss def supervised_chi_loss( angles_sin_cos: torch.Tensor, unnormalized_angles_sin_cos: torch.Tensor, aatype: torch.Tensor, seq_mask: torch.Tensor, chi_mask: torch.Tensor, chi_angles_sin_cos: torch.Tensor, chi_weight: float, angle_norm_weight: float, eps=1e-6, **kwargs, ) -> torch.Tensor: """ Implements Algorithm 27 (torsionAngleLoss) Args: angles_sin_cos: [*, N, 7, 2] predicted angles unnormalized_angles_sin_cos: The same angles, but unnormalized aatype: [*, N] residue indices seq_mask: [*, N] sequence mask chi_mask: [*, N, 7] angle mask chi_angles_sin_cos: [*, N, 7, 2] ground truth angles chi_weight: Weight for the angle component of the loss angle_norm_weight: Weight for the normalization component of the loss Returns: [*] loss tensor """ pred_angles = angles_sin_cos[..., 3:, :] residue_type_one_hot = torch.nn.functional.one_hot( aatype, residue_constants.restype_num + 1, ) chi_pi_periodic = torch.einsum( "...ij,jk->ik", residue_type_one_hot.type(angles_sin_cos.dtype), angles_sin_cos.new_tensor(residue_constants.chi_pi_periodic), ) true_chi = chi_angles_sin_cos[None] shifted_mask = (1 - 2 * chi_pi_periodic).unsqueeze(-1) true_chi_shifted = shifted_mask * true_chi sq_chi_error = torch.sum((true_chi - pred_angles) ** 2, dim=-1) sq_chi_error_shifted = torch.sum( (true_chi_shifted - pred_angles) ** 2, dim=-1 ) sq_chi_error = torch.minimum(sq_chi_error, sq_chi_error_shifted) # The ol' switcheroo sq_chi_error = sq_chi_error.permute( *range(len(sq_chi_error.shape))[1:-2], 0, -2, -1 ) sq_chi_loss = masked_mean( chi_mask[..., None, :, :], sq_chi_error, dim=(-1, -2, -3) ) loss = chi_weight * sq_chi_loss angle_norm = torch.sqrt( torch.sum(unnormalized_angles_sin_cos ** 2, dim=-1) + eps ) norm_error = torch.abs(angle_norm - 1.0) norm_error = norm_error.permute( *range(len(norm_error.shape))[1:-2], 0, -2, -1 ) angle_norm_loss = masked_mean( seq_mask[..., None, :, None], norm_error, dim=(-1, -2, -3) ) loss = loss + angle_norm_weight * angle_norm_loss # Average over the batch dimension loss = torch.mean(loss) return loss def compute_plddt(logits: torch.Tensor) -> torch.Tensor: num_bins = logits.shape[-1] bin_width = 1.0 / num_bins bounds = torch.arange( start=0.5 * bin_width, end=1.0, step=bin_width, device=logits.device ) probs = torch.nn.functional.softmax(logits, dim=-1) pred_lddt_ca = torch.sum( probs * bounds.view(*((1,) * len(probs.shape[:-1])), *bounds.shape), dim=-1, ) return pred_lddt_ca * 100 def lddt( all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, cutoff: float = 15.0, eps: float = 1e-10, per_residue: bool = True, ) -> torch.Tensor: n = all_atom_mask.shape[-2] dmat_true = torch.sqrt( eps + torch.sum( ( all_atom_positions[..., None, :] - all_atom_positions[..., None, :, :] ) ** 2, dim=-1, ) ) dmat_pred = torch.sqrt( eps + torch.sum( ( all_atom_pred_pos[..., None, :] - all_atom_pred_pos[..., None, :, :] ) ** 2, dim=-1, ) ) dists_to_score = ( (dmat_true < cutoff) * all_atom_mask * permute_final_dims(all_atom_mask, (1, 0)) * (1.0 - torch.eye(n, device=all_atom_mask.device)) ) dist_l1 = torch.abs(dmat_true - dmat_pred) score = ( (dist_l1 < 0.5).type(dist_l1.dtype) + (dist_l1 < 1.0).type(dist_l1.dtype) + (dist_l1 < 2.0).type(dist_l1.dtype) + (dist_l1 < 4.0).type(dist_l1.dtype) ) score = score * 0.25 dims = (-1,) if per_residue else (-2, -1) norm = 1.0 / (eps + torch.sum(dists_to_score, dim=dims)) score = norm * (eps + torch.sum(dists_to_score * score, dim=dims)) return score def lddt_ca( all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, cutoff: float = 15.0, eps: float = 1e-10, per_residue: bool = True, ) -> torch.Tensor: ca_pos = residue_constants.atom_order["CA"] all_atom_pred_pos = all_atom_pred_pos[..., ca_pos, :] all_atom_positions = all_atom_positions[..., ca_pos, :] all_atom_mask = all_atom_mask[..., ca_pos : (ca_pos + 1)] # keep dim return lddt( all_atom_pred_pos, all_atom_positions, all_atom_mask, cutoff=cutoff, eps=eps, per_residue=per_residue, ) def lddt_loss( logits: torch.Tensor, all_atom_pred_pos: torch.Tensor, all_atom_positions: torch.Tensor, all_atom_mask: torch.Tensor, resolution: torch.Tensor, cutoff: float = 15.0, no_bins: int = 50, min_resolution: float = 0.1, max_resolution: float = 3.0, eps: float = 1e-10, **kwargs, ) -> torch.Tensor: n = all_atom_mask.shape[-2] ca_pos = residue_constants.atom_order["CA"] all_atom_pred_pos = all_atom_pred_pos[..., ca_pos, :] all_atom_positions = all_atom_positions[..., ca_pos, :] all_atom_mask = all_atom_mask[..., ca_pos : (ca_pos + 1)] # keep dim score = lddt( all_atom_pred_pos, all_atom_positions, all_atom_mask, cutoff=cutoff, eps=eps ) score = score.detach() bin_index = torch.floor(score * no_bins).long() bin_index = torch.clamp(bin_index, max=(no_bins - 1)) lddt_ca_one_hot = torch.nn.functional.one_hot( bin_index, num_classes=no_bins ) errors = softmax_cross_entropy(logits, lddt_ca_one_hot) all_atom_mask = all_atom_mask.squeeze(-1) loss = torch.sum(errors * all_atom_mask, dim=-1) / ( eps + torch.sum(all_atom_mask, dim=-1) ) loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) # Average over the batch dimension loss = torch.mean(loss) return loss def distogram_loss( logits, pseudo_beta, pseudo_beta_mask, min_bin=2.3125, max_bin=21.6875, no_bins=64, eps=1e-6, **kwargs, ): boundaries = torch.linspace( min_bin, max_bin, no_bins - 1, device=logits.device, ) boundaries = boundaries ** 2 dists = torch.sum( (pseudo_beta[..., None, :] - pseudo_beta[..., None, :, :]) ** 2, dim=-1, keepdims=True, ) true_bins = torch.sum(dists > boundaries, dim=-1) errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_bins, no_bins), ) square_mask = pseudo_beta_mask[..., None] * pseudo_beta_mask[..., None, :] # FP16-friendly sum. Equivalent to: # mean = (torch.sum(errors * square_mask, dim=(-1, -2)) / # (eps + torch.sum(square_mask, dim=(-1, -2)))) denom = eps + torch.sum(square_mask, dim=(-1, -2)) mean = errors * square_mask mean = torch.sum(mean, dim=-1) mean = mean / denom[..., None] mean = torch.sum(mean, dim=-1) # Average over the batch dimensions mean = torch.mean(mean) return mean def _calculate_bin_centers(boundaries: torch.Tensor): step = boundaries[1] - boundaries[0] bin_centers = boundaries + step / 2 bin_centers = torch.cat( [bin_centers, (bin_centers[-1] + step).unsqueeze(-1)], dim=0 ) return bin_centers def _calculate_expected_aligned_error( alignment_confidence_breaks: torch.Tensor, aligned_distance_error_probs: torch.Tensor, ) -> Tuple[torch.Tensor, torch.Tensor]: bin_centers = _calculate_bin_centers(alignment_confidence_breaks) return ( torch.sum(aligned_distance_error_probs * bin_centers, dim=-1), bin_centers[-1], ) def compute_predicted_aligned_error( logits: torch.Tensor, max_bin: int = 31, no_bins: int = 64, **kwargs, ) -> Dict[str, torch.Tensor]: """Computes aligned confidence metrics from logits. Args: logits: [*, num_res, num_res, num_bins] the logits output from PredictedAlignedErrorHead. max_bin: Maximum bin value no_bins: Number of bins Returns: aligned_confidence_probs: [*, num_res, num_res, num_bins] the predicted aligned error probabilities over bins for each residue pair. predicted_aligned_error: [*, num_res, num_res] the expected aligned distance error for each pair of residues. max_predicted_aligned_error: [*] the maximum predicted error possible. """ boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) aligned_confidence_probs = torch.nn.functional.softmax(logits, dim=-1) ( predicted_aligned_error, max_predicted_aligned_error, ) = _calculate_expected_aligned_error( alignment_confidence_breaks=boundaries, aligned_distance_error_probs=aligned_confidence_probs, ) return { "aligned_confidence_probs": aligned_confidence_probs, "predicted_aligned_error": predicted_aligned_error, "max_predicted_aligned_error": max_predicted_aligned_error, } def compute_tm( logits: torch.Tensor, residue_weights: Optional[torch.Tensor] = None, max_bin: int = 31, no_bins: int = 64, eps: float = 1e-8, **kwargs, ) -> torch.Tensor: if residue_weights is None: residue_weights = logits.new_ones(logits.shape[-2]) boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) bin_centers = _calculate_bin_centers(boundaries) clipped_n = max(torch.sum(residue_weights), 19) d0 = 1.24 * (clipped_n - 15) ** (1.0 / 3) - 1.8 probs = torch.nn.functional.softmax(logits, dim=-1) tm_per_bin = 1.0 / (1 + (bin_centers ** 2) / (d0 ** 2)) predicted_tm_term = torch.sum(probs * tm_per_bin, dim=-1) normed_residue_mask = residue_weights / (eps + residue_weights.sum()) per_alignment = torch.sum(predicted_tm_term * normed_residue_mask, dim=-1) weighted = per_alignment * residue_weights argmax = (weighted == torch.max(weighted)).nonzero()[0] return per_alignment[tuple(argmax)] def tm_loss( logits, final_affine_tensor, backbone_rigid_tensor, backbone_rigid_mask, resolution, max_bin=31, no_bins=64, min_resolution: float = 0.1, max_resolution: float = 3.0, eps=1e-8, **kwargs, ): pred_affine = Rigid.from_tensor_7(final_affine_tensor) backbone_rigid = Rigid.from_tensor_4x4(backbone_rigid_tensor) def _points(affine): pts = affine.get_trans()[..., None, :, :] return affine.invert()[..., None].apply(pts) sq_diff = torch.sum( (_points(pred_affine) - _points(backbone_rigid)) ** 2, dim=-1 ) sq_diff = sq_diff.detach() boundaries = torch.linspace( 0, max_bin, steps=(no_bins - 1), device=logits.device ) boundaries = boundaries ** 2 true_bins = torch.sum(sq_diff[..., None] > boundaries, dim=-1) errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_bins, no_bins) ) square_mask = ( backbone_rigid_mask[..., None] * backbone_rigid_mask[..., None, :] ) loss = torch.sum(errors * square_mask, dim=-1) scale = 0.5 # hack to help FP16 training along denom = eps + torch.sum(scale * square_mask, dim=(-1, -2)) loss = loss / denom[..., None] loss = torch.sum(loss, dim=-1) loss = loss * scale loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) # Average over the loss dimension loss = torch.mean(loss) return loss def between_residue_bond_loss( pred_atom_positions: torch.Tensor, # (*, N, 37/14, 3) pred_atom_mask: torch.Tensor, # (*, N, 37/14) residue_index: torch.Tensor, # (*, N) aatype: torch.Tensor, # (*, N) tolerance_factor_soft=12.0, tolerance_factor_hard=12.0, eps=1e-6, ) -> Dict[str, torch.Tensor]: """Flat-bottom loss to penalize structural violations between residues. This is a loss penalizing any violation of the geometry around the peptide bond between consecutive amino acids. This loss corresponds to Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 44, 45. Args: pred_atom_positions: Atom positions in atom37/14 representation pred_atom_mask: Atom mask in atom37/14 representation residue_index: Residue index for given amino acid, this is assumed to be monotonically increasing. aatype: Amino acid type of given residue tolerance_factor_soft: soft tolerance factor measured in standard deviations of pdb distributions tolerance_factor_hard: hard tolerance factor measured in standard deviations of pdb distributions Returns: Dict containing: * 'c_n_loss_mean': Loss for peptide bond length violations * 'ca_c_n_loss_mean': Loss for violations of bond angle around C spanned by CA, C, N * 'c_n_ca_loss_mean': Loss for violations of bond angle around N spanned by C, N, CA * 'per_residue_loss_sum': sum of all losses for each residue * 'per_residue_violation_mask': mask denoting all residues with violation present. """ # Get the positions of the relevant backbone atoms. this_ca_pos = pred_atom_positions[..., :-1, 1, :] this_ca_mask = pred_atom_mask[..., :-1, 1] this_c_pos = pred_atom_positions[..., :-1, 2, :] this_c_mask = pred_atom_mask[..., :-1, 2] next_n_pos = pred_atom_positions[..., 1:, 0, :] next_n_mask = pred_atom_mask[..., 1:, 0] next_ca_pos = pred_atom_positions[..., 1:, 1, :] next_ca_mask = pred_atom_mask[..., 1:, 1] has_no_gap_mask = (residue_index[..., 1:] - residue_index[..., :-1]) == 1.0 # Compute loss for the C--N bond. c_n_bond_length = torch.sqrt( eps + torch.sum((this_c_pos - next_n_pos) ** 2, dim=-1) ) # The C-N bond to proline has slightly different length because of the ring. next_is_proline = aatype[..., 1:] == residue_constants.resname_to_idx["PRO"] gt_length = ( ~next_is_proline ) * residue_constants.between_res_bond_length_c_n[ 0 ] + next_is_proline * residue_constants.between_res_bond_length_c_n[ 1 ] gt_stddev = ( ~next_is_proline ) * residue_constants.between_res_bond_length_stddev_c_n[ 0 ] + next_is_proline * residue_constants.between_res_bond_length_stddev_c_n[ 1 ] c_n_bond_length_error = torch.sqrt(eps + (c_n_bond_length - gt_length) ** 2) c_n_loss_per_residue = torch.nn.functional.relu( c_n_bond_length_error - tolerance_factor_soft * gt_stddev ) mask = this_c_mask * next_n_mask * has_no_gap_mask c_n_loss = torch.sum(mask * c_n_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) c_n_violation_mask = mask * ( c_n_bond_length_error > (tolerance_factor_hard * gt_stddev) ) # Compute loss for the angles. ca_c_bond_length = torch.sqrt( eps + torch.sum((this_ca_pos - this_c_pos) ** 2, dim=-1) ) n_ca_bond_length = torch.sqrt( eps + torch.sum((next_n_pos - next_ca_pos) ** 2, dim=-1) ) c_ca_unit_vec = (this_ca_pos - this_c_pos) / ca_c_bond_length[..., None] c_n_unit_vec = (next_n_pos - this_c_pos) / c_n_bond_length[..., None] n_ca_unit_vec = (next_ca_pos - next_n_pos) / n_ca_bond_length[..., None] ca_c_n_cos_angle = torch.sum(c_ca_unit_vec * c_n_unit_vec, dim=-1) gt_angle = residue_constants.between_res_cos_angles_ca_c_n[0] gt_stddev = residue_constants.between_res_bond_length_stddev_c_n[0] ca_c_n_cos_angle_error = torch.sqrt( eps + (ca_c_n_cos_angle - gt_angle) ** 2 ) ca_c_n_loss_per_residue = torch.nn.functional.relu( ca_c_n_cos_angle_error - tolerance_factor_soft * gt_stddev ) mask = this_ca_mask * this_c_mask * next_n_mask * has_no_gap_mask ca_c_n_loss = torch.sum(mask * ca_c_n_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) ca_c_n_violation_mask = mask * ( ca_c_n_cos_angle_error > (tolerance_factor_hard * gt_stddev) ) c_n_ca_cos_angle = torch.sum((-c_n_unit_vec) * n_ca_unit_vec, dim=-1) gt_angle = residue_constants.between_res_cos_angles_c_n_ca[0] gt_stddev = residue_constants.between_res_cos_angles_c_n_ca[1] c_n_ca_cos_angle_error = torch.sqrt( eps + torch.square(c_n_ca_cos_angle - gt_angle) ) c_n_ca_loss_per_residue = torch.nn.functional.relu( c_n_ca_cos_angle_error - tolerance_factor_soft * gt_stddev ) mask = this_c_mask * next_n_mask * next_ca_mask * has_no_gap_mask c_n_ca_loss = torch.sum(mask * c_n_ca_loss_per_residue, dim=-1) / ( torch.sum(mask, dim=-1) + eps ) c_n_ca_violation_mask = mask * ( c_n_ca_cos_angle_error > (tolerance_factor_hard * gt_stddev) ) # Compute a per residue loss (equally distribute the loss to both # neighbouring residues). per_residue_loss_sum = ( c_n_loss_per_residue + ca_c_n_loss_per_residue + c_n_ca_loss_per_residue ) per_residue_loss_sum = 0.5 * ( torch.nn.functional.pad(per_residue_loss_sum, (0, 1)) + torch.nn.functional.pad(per_residue_loss_sum, (1, 0)) ) # Compute hard violations. violation_mask = torch.max( torch.stack( [c_n_violation_mask, ca_c_n_violation_mask, c_n_ca_violation_mask], dim=-2, ), dim=-2, )[0] violation_mask = torch.maximum( torch.nn.functional.pad(violation_mask, (0, 1)), torch.nn.functional.pad(violation_mask, (1, 0)), ) return { "c_n_loss_mean": c_n_loss, "ca_c_n_loss_mean": ca_c_n_loss, "c_n_ca_loss_mean": c_n_ca_loss, "per_residue_loss_sum": per_residue_loss_sum, "per_residue_violation_mask": violation_mask, } def between_residue_clash_loss( atom14_pred_positions: torch.Tensor, atom14_atom_exists: torch.Tensor, atom14_atom_radius: torch.Tensor, residue_index: torch.Tensor, overlap_tolerance_soft=1.5, overlap_tolerance_hard=1.5, eps=1e-10, ) -> Dict[str, torch.Tensor]: """Loss to penalize steric clashes between residues. This is a loss penalizing any steric clashes due to non bonded atoms in different peptides coming too close. This loss corresponds to the part with different residues of Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 46. Args: atom14_pred_positions: Predicted positions of atoms in global prediction frame atom14_atom_exists: Mask denoting whether atom at positions exists for given amino acid type atom14_atom_radius: Van der Waals radius for each atom. residue_index: Residue index for given amino acid. overlap_tolerance_soft: Soft tolerance factor. overlap_tolerance_hard: Hard tolerance factor. Returns: Dict containing: * 'mean_loss': average clash loss * 'per_atom_loss_sum': sum of all clash losses per atom, shape (N, 14) * 'per_atom_clash_mask': mask whether atom clashes with any other atom shape (N, 14) """ fp_type = atom14_pred_positions.dtype # Create the distance matrix. # (N, N, 14, 14) dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., :, None, :, None, :] - atom14_pred_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) # Create the mask for valid distances. # shape (N, N, 14, 14) dists_mask = ( atom14_atom_exists[..., :, None, :, None] * atom14_atom_exists[..., None, :, None, :] ).type(fp_type) # Mask out all the duplicate entries in the lower triangular matrix. # Also mask out the diagonal (atom-pairs from the same residue) -- these atoms # are handled separately. dists_mask = dists_mask * ( residue_index[..., :, None, None, None] < residue_index[..., None, :, None, None] ) # Backbone C--N bond between subsequent residues is no clash. c_one_hot = torch.nn.functional.one_hot( residue_index.new_tensor(2), num_classes=14 ) c_one_hot = c_one_hot.reshape( *((1,) * len(residue_index.shape[:-1])), *c_one_hot.shape ) c_one_hot = c_one_hot.type(fp_type) n_one_hot = torch.nn.functional.one_hot( residue_index.new_tensor(0), num_classes=14 ) n_one_hot = n_one_hot.reshape( *((1,) * len(residue_index.shape[:-1])), *n_one_hot.shape ) n_one_hot = n_one_hot.type(fp_type) neighbour_mask = ( residue_index[..., :, None, None, None] + 1 ) == residue_index[..., None, :, None, None] c_n_bonds = ( neighbour_mask * c_one_hot[..., None, None, :, None] * n_one_hot[..., None, None, None, :] ) dists_mask = dists_mask * (1.0 - c_n_bonds) # Disulfide bridge between two cysteines is no clash. cys = residue_constants.restype_name_to_atom14_names["CYS"] cys_sg_idx = cys.index("SG") cys_sg_idx = residue_index.new_tensor(cys_sg_idx) cys_sg_idx = cys_sg_idx.reshape( *((1,) * len(residue_index.shape[:-1])), 1 ).squeeze(-1) cys_sg_one_hot = torch.nn.functional.one_hot(cys_sg_idx, num_classes=14) disulfide_bonds = ( cys_sg_one_hot[..., None, None, :, None] * cys_sg_one_hot[..., None, None, None, :] ) dists_mask = dists_mask * (1.0 - disulfide_bonds) # Compute the lower bound for the allowed distances. # shape (N, N, 14, 14) dists_lower_bound = dists_mask * ( atom14_atom_radius[..., :, None, :, None] + atom14_atom_radius[..., None, :, None, :] ) # Compute the error. # shape (N, N, 14, 14) dists_to_low_error = dists_mask * torch.nn.functional.relu( dists_lower_bound - overlap_tolerance_soft - dists ) # Compute the mean loss. # shape () mean_loss = torch.sum(dists_to_low_error) / (1e-6 + torch.sum(dists_mask)) # Compute the per atom loss sum. # shape (N, 14) per_atom_loss_sum = torch.sum(dists_to_low_error, dim=(-4, -2)) + torch.sum( dists_to_low_error, axis=(-3, -1) ) # Compute the hard clash mask. # shape (N, N, 14, 14) clash_mask = dists_mask * ( dists < (dists_lower_bound - overlap_tolerance_hard) ) # Compute the per atom clash. # shape (N, 14) per_atom_clash_mask = torch.maximum( torch.amax(clash_mask, axis=(-4, -2)), torch.amax(clash_mask, axis=(-3, -1)), ) return { "mean_loss": mean_loss, # shape () "per_atom_loss_sum": per_atom_loss_sum, # shape (N, 14) "per_atom_clash_mask": per_atom_clash_mask, # shape (N, 14) } def within_residue_violations( atom14_pred_positions: torch.Tensor, atom14_atom_exists: torch.Tensor, atom14_dists_lower_bound: torch.Tensor, atom14_dists_upper_bound: torch.Tensor, tighten_bounds_for_loss=0.0, eps=1e-10, ) -> Dict[str, torch.Tensor]: """Loss to penalize steric clashes within residues. This is a loss penalizing any steric violations or clashes of non-bonded atoms in a given peptide. This loss corresponds to the part with the same residues of Jumper et al. (2021) Suppl. Sec. 1.9.11, eq 46. Args: atom14_pred_positions ([*, N, 14, 3]): Predicted positions of atoms in global prediction frame. atom14_atom_exists ([*, N, 14]): Mask denoting whether atom at positions exists for given amino acid type atom14_dists_lower_bound ([*, N, 14]): Lower bound on allowed distances. atom14_dists_upper_bound ([*, N, 14]): Upper bound on allowed distances tighten_bounds_for_loss ([*, N]): Extra factor to tighten loss Returns: Dict containing: * 'per_atom_loss_sum' ([*, N, 14]): sum of all clash losses per atom, shape * 'per_atom_clash_mask' ([*, N, 14]): mask whether atom clashes with any other atom shape """ # Compute the mask for each residue. dists_masks = 1.0 - torch.eye(14, device=atom14_atom_exists.device)[None] dists_masks = dists_masks.reshape( *((1,) * len(atom14_atom_exists.shape[:-2])), *dists_masks.shape ) dists_masks = ( atom14_atom_exists[..., :, :, None] * atom14_atom_exists[..., :, None, :] * dists_masks ) # Distance matrix dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., :, :, None, :] - atom14_pred_positions[..., :, None, :, :] ) ** 2, dim=-1, ) ) # Compute the loss. dists_to_low_error = torch.nn.functional.relu( atom14_dists_lower_bound + tighten_bounds_for_loss - dists ) dists_to_high_error = torch.nn.functional.relu( dists - (atom14_dists_upper_bound - tighten_bounds_for_loss) ) loss = dists_masks * (dists_to_low_error + dists_to_high_error) # Compute the per atom loss sum. per_atom_loss_sum = torch.sum(loss, dim=-2) + torch.sum(loss, dim=-1) # Compute the violations mask. violations = dists_masks * ( (dists < atom14_dists_lower_bound) | (dists > atom14_dists_upper_bound) ) # Compute the per atom violations. per_atom_violations = torch.maximum( torch.max(violations, dim=-2)[0], torch.max(violations, axis=-1)[0] ) return { "per_atom_loss_sum": per_atom_loss_sum, "per_atom_violations": per_atom_violations, } def find_structural_violations( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, violation_tolerance_factor: float, clash_overlap_tolerance: float, **kwargs, ) -> Dict[str, torch.Tensor]: """Computes several checks for structural violations.""" # Compute between residue backbone violations of bonds and angles. connection_violations = between_residue_bond_loss( pred_atom_positions=atom14_pred_positions, pred_atom_mask=batch["atom14_atom_exists"], residue_index=batch["residue_index"], aatype=batch["aatype"], tolerance_factor_soft=violation_tolerance_factor, tolerance_factor_hard=violation_tolerance_factor, ) # Compute the Van der Waals radius for every atom # (the first letter of the atom name is the element type). # Shape: (N, 14). atomtype_radius = [ residue_constants.van_der_waals_radius[name[0]] for name in residue_constants.atom_types ] atomtype_radius = atom14_pred_positions.new_tensor(atomtype_radius) atom14_atom_radius = ( batch["atom14_atom_exists"] * atomtype_radius[batch["residx_atom14_to_atom37"]] ) # Compute the between residue clash loss. between_residue_clashes = between_residue_clash_loss( atom14_pred_positions=atom14_pred_positions, atom14_atom_exists=batch["atom14_atom_exists"], atom14_atom_radius=atom14_atom_radius, residue_index=batch["residue_index"], overlap_tolerance_soft=clash_overlap_tolerance, overlap_tolerance_hard=clash_overlap_tolerance, ) # Compute all within-residue violations (clashes, # bond length and angle violations). restype_atom14_bounds = residue_constants.make_atom14_dists_bounds( overlap_tolerance=clash_overlap_tolerance, bond_length_tolerance_factor=violation_tolerance_factor, ) atom14_atom_exists = batch["atom14_atom_exists"] atom14_dists_lower_bound = atom14_pred_positions.new_tensor( restype_atom14_bounds["lower_bound"] )[batch["aatype"]] atom14_dists_upper_bound = atom14_pred_positions.new_tensor( restype_atom14_bounds["upper_bound"] )[batch["aatype"]] residue_violations = within_residue_violations( atom14_pred_positions=atom14_pred_positions, atom14_atom_exists=batch["atom14_atom_exists"], atom14_dists_lower_bound=atom14_dists_lower_bound, atom14_dists_upper_bound=atom14_dists_upper_bound, tighten_bounds_for_loss=0.0, ) # Combine them to a single per-residue violation mask (used later for LDDT). per_residue_violations_mask = torch.max( torch.stack( [ connection_violations["per_residue_violation_mask"], torch.max( between_residue_clashes["per_atom_clash_mask"], dim=-1 )[0], torch.max(residue_violations["per_atom_violations"], dim=-1)[0], ], dim=-1, ), dim=-1, )[0] return { "between_residues": { "bonds_c_n_loss_mean": connection_violations["c_n_loss_mean"], # () "angles_ca_c_n_loss_mean": connection_violations[ "ca_c_n_loss_mean" ], # () "angles_c_n_ca_loss_mean": connection_violations[ "c_n_ca_loss_mean" ], # () "connections_per_residue_loss_sum": connection_violations[ "per_residue_loss_sum" ], # (N) "connections_per_residue_violation_mask": connection_violations[ "per_residue_violation_mask" ], # (N) "clashes_mean_loss": between_residue_clashes["mean_loss"], # () "clashes_per_atom_loss_sum": between_residue_clashes[ "per_atom_loss_sum" ], # (N, 14) "clashes_per_atom_clash_mask": between_residue_clashes[ "per_atom_clash_mask" ], # (N, 14) }, "within_residues": { "per_atom_loss_sum": residue_violations[ "per_atom_loss_sum" ], # (N, 14) "per_atom_violations": residue_violations[ "per_atom_violations" ], # (N, 14), }, "total_per_residue_violations_mask": per_residue_violations_mask, # (N) } def find_structural_violations_np( batch: Dict[str, np.ndarray], atom14_pred_positions: np.ndarray, config: ml_collections.ConfigDict, ) -> Dict[str, np.ndarray]: to_tensor = lambda x: torch.tensor(x) batch = tree_map(to_tensor, batch, np.ndarray) atom14_pred_positions = to_tensor(atom14_pred_positions) out = find_structural_violations(batch, atom14_pred_positions, **config) to_np = lambda x: np.array(x) np_out = tensor_tree_map(to_np, out) return np_out def extreme_ca_ca_distance_violations( pred_atom_positions: torch.Tensor, # (N, 37(14), 3) pred_atom_mask: torch.Tensor, # (N, 37(14)) residue_index: torch.Tensor, # (N) max_angstrom_tolerance=1.5, eps=1e-6, ) -> torch.Tensor: """Counts residues whose Ca is a large distance from its neighbour. Measures the fraction of CA-CA pairs between consecutive amino acids that are more than 'max_angstrom_tolerance' apart. Args: pred_atom_positions: Atom positions in atom37/14 representation pred_atom_mask: Atom mask in atom37/14 representation residue_index: Residue index for given amino acid, this is assumed to be monotonically increasing. max_angstrom_tolerance: Maximum distance allowed to not count as violation. Returns: Fraction of consecutive CA-CA pairs with violation. """ this_ca_pos = pred_atom_positions[..., :-1, 1, :] this_ca_mask = pred_atom_mask[..., :-1, 1] next_ca_pos = pred_atom_positions[..., 1:, 1, :] next_ca_mask = pred_atom_mask[..., 1:, 1] has_no_gap_mask = (residue_index[..., 1:] - residue_index[..., :-1]) == 1.0 ca_ca_distance = torch.sqrt( eps + torch.sum((this_ca_pos - next_ca_pos) ** 2, dim=-1) ) violations = ( ca_ca_distance - residue_constants.ca_ca ) > max_angstrom_tolerance mask = this_ca_mask * next_ca_mask * has_no_gap_mask mean = masked_mean(mask, violations, -1) return mean def compute_violation_metrics( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, # (N, 14, 3) violations: Dict[str, torch.Tensor], ) -> Dict[str, torch.Tensor]: """Compute several metrics to assess the structural violations.""" ret = {} extreme_ca_ca_violations = extreme_ca_ca_distance_violations( pred_atom_positions=atom14_pred_positions, pred_atom_mask=batch["atom14_atom_exists"], residue_index=batch["residue_index"], ) ret["violations_extreme_ca_ca_distance"] = extreme_ca_ca_violations ret["violations_between_residue_bond"] = masked_mean( batch["seq_mask"], violations["between_residues"][ "connections_per_residue_violation_mask" ], dim=-1, ) ret["violations_between_residue_clash"] = masked_mean( mask=batch["seq_mask"], value=torch.max( violations["between_residues"]["clashes_per_atom_clash_mask"], dim=-1, )[0], dim=-1, ) ret["violations_within_residue"] = masked_mean( mask=batch["seq_mask"], value=torch.max( violations["within_residues"]["per_atom_violations"], dim=-1 )[0], dim=-1, ) ret["violations_per_residue"] = masked_mean( mask=batch["seq_mask"], value=violations["total_per_residue_violations_mask"], dim=-1, ) return ret def compute_violation_metrics_np( batch: Dict[str, np.ndarray], atom14_pred_positions: np.ndarray, violations: Dict[str, np.ndarray], ) -> Dict[str, np.ndarray]: to_tensor = lambda x: torch.tensor(x) batch = tree_map(to_tensor, batch, np.ndarray) atom14_pred_positions = to_tensor(atom14_pred_positions) violations = tree_map(to_tensor, violations, np.ndarray) out = compute_violation_metrics(batch, atom14_pred_positions, violations) to_np = lambda x: np.array(x) return tree_map(to_np, out, torch.Tensor) def violation_loss( violations: Dict[str, torch.Tensor], atom14_atom_exists: torch.Tensor, eps=1e-6, **kwargs, ) -> torch.Tensor: num_atoms = torch.sum(atom14_atom_exists) l_clash = torch.sum( violations["between_residues"]["clashes_per_atom_loss_sum"] + violations["within_residues"]["per_atom_loss_sum"] ) l_clash = l_clash / (eps + num_atoms) loss = ( violations["between_residues"]["bonds_c_n_loss_mean"] + violations["between_residues"]["angles_ca_c_n_loss_mean"] + violations["between_residues"]["angles_c_n_ca_loss_mean"] + l_clash ) # Average over the batch dimension mean = torch.mean(loss) return mean def compute_renamed_ground_truth( batch: Dict[str, torch.Tensor], atom14_pred_positions: torch.Tensor, eps=1e-10, ) -> Dict[str, torch.Tensor]: """ Find optimal renaming of ground truth based on the predicted positions. Alg. 26 "renameSymmetricGroundTruthAtoms" This renamed ground truth is then used for all losses, such that each loss moves the atoms in the same direction. Args: batch: Dictionary containing: * atom14_gt_positions: Ground truth positions. * atom14_alt_gt_positions: Ground truth positions with renaming swaps. * atom14_atom_is_ambiguous: 1.0 for atoms that are affected by renaming swaps. * atom14_gt_exists: Mask for which atoms exist in ground truth. * atom14_alt_gt_exists: Mask for which atoms exist in ground truth after renaming. * atom14_atom_exists: Mask for whether each atom is part of the given amino acid type. atom14_pred_positions: Array of atom positions in global frame with shape Returns: Dictionary containing: alt_naming_is_better: Array with 1.0 where alternative swap is better. renamed_atom14_gt_positions: Array of optimal ground truth positions after renaming swaps are performed. renamed_atom14_gt_exists: Mask after renaming swap is performed. """ pred_dists = torch.sqrt( eps + torch.sum( ( atom14_pred_positions[..., None, :, None, :] - atom14_pred_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) atom14_gt_positions = batch["atom14_gt_positions"] gt_dists = torch.sqrt( eps + torch.sum( ( atom14_gt_positions[..., None, :, None, :] - atom14_gt_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) atom14_alt_gt_positions = batch["atom14_alt_gt_positions"] alt_gt_dists = torch.sqrt( eps + torch.sum( ( atom14_alt_gt_positions[..., None, :, None, :] - atom14_alt_gt_positions[..., None, :, None, :, :] ) ** 2, dim=-1, ) ) lddt = torch.sqrt(eps + (pred_dists - gt_dists) ** 2) alt_lddt = torch.sqrt(eps + (pred_dists - alt_gt_dists) ** 2) atom14_gt_exists = batch["atom14_gt_exists"] atom14_atom_is_ambiguous = batch["atom14_atom_is_ambiguous"] mask = ( atom14_gt_exists[..., None, :, None] * atom14_atom_is_ambiguous[..., None, :, None] * atom14_gt_exists[..., None, :, None, :] * (1.0 - atom14_atom_is_ambiguous[..., None, :, None, :]) ) per_res_lddt = torch.sum(mask * lddt, dim=(-1, -2, -3)) alt_per_res_lddt = torch.sum(mask * alt_lddt, dim=(-1, -2, -3)) fp_type = atom14_pred_positions.dtype alt_naming_is_better = (alt_per_res_lddt < per_res_lddt).type(fp_type) renamed_atom14_gt_positions = ( 1.0 - alt_naming_is_better[..., None, None] ) * atom14_gt_positions + alt_naming_is_better[ ..., None, None ] * atom14_alt_gt_positions renamed_atom14_gt_mask = ( 1.0 - alt_naming_is_better[..., None] ) * atom14_gt_exists + alt_naming_is_better[..., None] * batch[ "atom14_alt_gt_exists" ] return { "alt_naming_is_better": alt_naming_is_better, "renamed_atom14_gt_positions": renamed_atom14_gt_positions, "renamed_atom14_gt_exists": renamed_atom14_gt_mask, } def experimentally_resolved_loss( logits: torch.Tensor, atom37_atom_exists: torch.Tensor, all_atom_mask: torch.Tensor, resolution: torch.Tensor, min_resolution: float, max_resolution: float, eps: float = 1e-8, **kwargs, ) -> torch.Tensor: errors = sigmoid_cross_entropy(logits, all_atom_mask) loss = torch.sum(errors * atom37_atom_exists, dim=-1) loss = loss / (eps + torch.sum(atom37_atom_exists, dim=(-1, -2)).unsqueeze(-1)) loss = torch.sum(loss, dim=-1) loss = loss * ( (resolution >= min_resolution) & (resolution <= max_resolution) ) loss = torch.mean(loss) return loss def masked_msa_loss(logits, true_msa, bert_mask, eps=1e-8, **kwargs): """ Computes BERT-style masked MSA loss. Implements subsection 1.9.9. Args: logits: [*, N_seq, N_res, 23] predicted residue distribution true_msa: [*, N_seq, N_res] true MSA bert_mask: [*, N_seq, N_res] MSA mask Returns: Masked MSA loss """ errors = softmax_cross_entropy( logits, torch.nn.functional.one_hot(true_msa, num_classes=23) ) # FP16-friendly averaging. Equivalent to: # loss = ( # torch.sum(errors * bert_mask, dim=(-1, -2)) / # (eps + torch.sum(bert_mask, dim=(-1, -2))) # ) loss = errors * bert_mask loss = torch.sum(loss, dim=-1) scale = 0.5 denom = eps + torch.sum(scale * bert_mask, dim=(-1, -2)) loss = loss / denom[..., None] loss = torch.sum(loss, dim=-1) loss = loss * scale loss = torch.mean(loss) return loss class AlphaFoldLoss(nn.Module): """Aggregation of the various losses described in the supplement""" def __init__(self, config): super(AlphaFoldLoss, self).__init__() self.config = config def forward(self, out, batch, _return_breakdown=False): if "violation" not in out.keys(): out["violation"] = find_structural_violations( batch, out["sm"]["positions"][-1], **self.config.violation, ) if "renamed_atom14_gt_positions" not in out.keys(): batch.update( compute_renamed_ground_truth( batch, out["sm"]["positions"][-1], ) ) loss_fns = { "distogram": lambda: distogram_loss( logits=out["distogram_logits"], **{**batch, **self.config.distogram}, ), "experimentally_resolved": lambda: experimentally_resolved_loss( logits=out["experimentally_resolved_logits"], **{**batch, **self.config.experimentally_resolved}, ), "fape": lambda: fape_loss( out, batch, self.config.fape, ), "plddt_loss": lambda: lddt_loss( logits=out["lddt_logits"], all_atom_pred_pos=out["final_atom_positions"], **{**batch, **self.config.plddt_loss}, ), "masked_msa": lambda: masked_msa_loss( logits=out["masked_msa_logits"], **{**batch, **self.config.masked_msa}, ), "supervised_chi": lambda: supervised_chi_loss( out["sm"]["angles"], out["sm"]["unnormalized_angles"], **{**batch, **self.config.supervised_chi}, ), "violation": lambda: violation_loss( out["violation"], **batch, ), } if(self.config.tm.enabled): loss_fns["tm"] = lambda: tm_loss( logits=out["tm_logits"], **{**batch, **out, **self.config.tm}, ) cum_loss = 0. losses = {} for loss_name, loss_fn in loss_fns.items(): weight = self.config[loss_name].weight loss = loss_fn() if(torch.isnan(loss) or torch.isinf(loss)): #for k,v in batch.items(): # if(torch.any(torch.isnan(v)) or torch.any(torch.isinf(v))): # logging.warning(f"{k}: is nan") #logging.warning(f"{loss_name}: {loss}") logging.warning(f"{loss_name} loss is NaN. Skipping...") loss = loss.new_tensor(0., requires_grad=True) cum_loss = cum_loss + weight * loss losses[loss_name] = loss.detach().clone() losses["unscaled_loss"] = cum_loss.detach().clone() # Scale the loss by the square root of the minimum of the crop size and # the (average) sequence length. See subsection 1.9. seq_len = torch.mean(batch["seq_length"].float()) crop_len = batch["aatype"].shape[-1] cum_loss = cum_loss * torch.sqrt(min(seq_len, crop_len)) losses["loss"] = cum_loss.detach().clone() if(not _return_breakdown): return cum_loss return cum_loss, losses ================================================ FILE: vendor/openfold/openfold/utils/lr_schedulers.py ================================================ import torch class AlphaFoldLRScheduler(torch.optim.lr_scheduler._LRScheduler): """ Implements the learning rate schedule defined in the AlphaFold 2 supplement. A linear warmup is followed by a plateau at the maximum learning rate and then exponential decay. Note that the initial learning rate of the optimizer in question is ignored; use this class' base_lr parameter to specify the starting point of the warmup. """ def __init__(self, optimizer, last_epoch: int = -1, verbose: bool = False, base_lr: float = 0., max_lr: float = 0.001, warmup_no_steps: int = 1000, start_decay_after_n_steps: int = 50000, decay_every_n_steps: int = 50000, decay_factor: float = 0.95, ): step_counts = { "warmup_no_steps": warmup_no_steps, "start_decay_after_n_steps": start_decay_after_n_steps, } for k,v in step_counts.items(): if(v < 0): raise ValueError(f"{k} must be nonnegative") if(warmup_no_steps > start_decay_after_n_steps): raise ValueError( "warmup_no_steps must not exceed start_decay_after_n_steps" ) self.optimizer = optimizer self.last_epoch = last_epoch self.verbose = verbose self.base_lr = base_lr self.max_lr = max_lr self.warmup_no_steps = warmup_no_steps self.start_decay_after_n_steps = start_decay_after_n_steps self.decay_every_n_steps = decay_every_n_steps self.decay_factor = decay_factor super(AlphaFoldLRScheduler, self).__init__( optimizer, last_epoch=last_epoch, verbose=verbose, ) def state_dict(self): state_dict = { k:v for k,v in self.__dict__.items() if k not in ["optimizer"] } return state_dict def load_state_dict(self, state_dict): self.__dict__.update(state_dict) def get_lr(self): if(not self._get_lr_called_within_step): raise RuntimeError( "To get the last learning rate computed by the scheduler, use " "get_last_lr()" ) step_no = self.last_epoch if(step_no <= self.warmup_no_steps): lr = self.base_lr + (step_no / self.warmup_no_steps) * self.max_lr elif(step_no > self.start_decay_after_n_steps): steps_since_decay = step_no - self.start_decay_after_n_steps exp = (steps_since_decay // self.decay_every_n_steps) + 1 lr = self.max_lr * (self.decay_factor ** exp) else: # plateau lr = self.max_lr return [lr for group in self.optimizer.param_groups] ================================================ FILE: vendor/openfold/openfold/utils/precision_utils.py ================================================ # Copyright 2022 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import importlib import torch def is_fp16_enabled(): # Autocast world fp16_enabled = torch.get_autocast_gpu_dtype() == torch.float16 fp16_enabled = fp16_enabled and torch.is_autocast_enabled() return fp16_enabled ================================================ FILE: vendor/openfold/openfold/utils/rigid_utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from __future__ import annotations from functools import lru_cache from typing import Tuple, Any, Sequence, Callable, Optional import numpy as np import torch def rot_matmul( a: torch.Tensor, b: torch.Tensor ) -> torch.Tensor: """ Performs matrix multiplication of two rotation matrix tensors. Written out by hand to avoid AMP downcasting. Args: a: [*, 3, 3] left multiplicand b: [*, 3, 3] right multiplicand Returns: The product ab """ def row_mul(i): return torch.stack( [ a[..., i, 0] * b[..., 0, 0] + a[..., i, 1] * b[..., 1, 0] + a[..., i, 2] * b[..., 2, 0], a[..., i, 0] * b[..., 0, 1] + a[..., i, 1] * b[..., 1, 1] + a[..., i, 2] * b[..., 2, 1], a[..., i, 0] * b[..., 0, 2] + a[..., i, 1] * b[..., 1, 2] + a[..., i, 2] * b[..., 2, 2], ], dim=-1, ) return torch.stack( [ row_mul(0), row_mul(1), row_mul(2), ], dim=-2 ) def rot_vec_mul( r: torch.Tensor, t: torch.Tensor ) -> torch.Tensor: """ Applies a rotation to a vector. Written out by hand to avoid transfer to avoid AMP downcasting. Args: r: [*, 3, 3] rotation matrices t: [*, 3] coordinate tensors Returns: [*, 3] rotated coordinates """ x, y, z = torch.unbind(t, dim=-1) return torch.stack( [ r[..., 0, 0] * x + r[..., 0, 1] * y + r[..., 0, 2] * z, r[..., 1, 0] * x + r[..., 1, 1] * y + r[..., 1, 2] * z, r[..., 2, 0] * x + r[..., 2, 1] * y + r[..., 2, 2] * z, ], dim=-1, ) @lru_cache(maxsize=None) def identity_rot_mats( batch_dims: Tuple[int], dtype: Optional[torch.dtype] = None, device: Optional[torch.device] = None, requires_grad: bool = True, ) -> torch.Tensor: rots = torch.eye( 3, dtype=dtype, device=device, requires_grad=requires_grad ) rots = rots.view(*((1,) * len(batch_dims)), 3, 3) rots = rots.expand(*batch_dims, -1, -1) rots = rots.contiguous() return rots @lru_cache(maxsize=None) def identity_trans( batch_dims: Tuple[int], dtype: Optional[torch.dtype] = None, device: Optional[torch.device] = None, requires_grad: bool = True, ) -> torch.Tensor: trans = torch.zeros( (*batch_dims, 3), dtype=dtype, device=device, requires_grad=requires_grad ) return trans @lru_cache(maxsize=None) def identity_quats( batch_dims: Tuple[int], dtype: Optional[torch.dtype] = None, device: Optional[torch.device] = None, requires_grad: bool = True, ) -> torch.Tensor: quat = torch.zeros( (*batch_dims, 4), dtype=dtype, device=device, requires_grad=requires_grad ) with torch.no_grad(): quat[..., 0] = 1 return quat _quat_elements = ["a", "b", "c", "d"] _qtr_keys = [l1 + l2 for l1 in _quat_elements for l2 in _quat_elements] _qtr_ind_dict = {key: ind for ind, key in enumerate(_qtr_keys)} def _to_mat(pairs): mat = np.zeros((4, 4)) for pair in pairs: key, value = pair ind = _qtr_ind_dict[key] mat[ind // 4][ind % 4] = value return mat _QTR_MAT = np.zeros((4, 4, 3, 3)) _QTR_MAT[..., 0, 0] = _to_mat([("aa", 1), ("bb", 1), ("cc", -1), ("dd", -1)]) _QTR_MAT[..., 0, 1] = _to_mat([("bc", 2), ("ad", -2)]) _QTR_MAT[..., 0, 2] = _to_mat([("bd", 2), ("ac", 2)]) _QTR_MAT[..., 1, 0] = _to_mat([("bc", 2), ("ad", 2)]) _QTR_MAT[..., 1, 1] = _to_mat([("aa", 1), ("bb", -1), ("cc", 1), ("dd", -1)]) _QTR_MAT[..., 1, 2] = _to_mat([("cd", 2), ("ab", -2)]) _QTR_MAT[..., 2, 0] = _to_mat([("bd", 2), ("ac", -2)]) _QTR_MAT[..., 2, 1] = _to_mat([("cd", 2), ("ab", 2)]) _QTR_MAT[..., 2, 2] = _to_mat([("aa", 1), ("bb", -1), ("cc", -1), ("dd", 1)]) def quat_to_rot(quat: torch.Tensor) -> torch.Tensor: """ Converts a quaternion to a rotation matrix. Args: quat: [*, 4] quaternions Returns: [*, 3, 3] rotation matrices """ # [*, 4, 4] quat = quat[..., None] * quat[..., None, :] # [4, 4, 3, 3] mat = _get_quat("_QTR_MAT", dtype=quat.dtype, device=quat.device) # [*, 4, 4, 3, 3] shaped_qtr_mat = mat.view((1,) * len(quat.shape[:-2]) + mat.shape) quat = quat[..., None, None] * shaped_qtr_mat # [*, 3, 3] return torch.sum(quat, dim=(-3, -4)) def rot_to_quat( rot: torch.Tensor, ): if(rot.shape[-2:] != (3, 3)): raise ValueError("Input rotation is incorrectly shaped") rot = [[rot[..., i, j] for j in range(3)] for i in range(3)] [[xx, xy, xz], [yx, yy, yz], [zx, zy, zz]] = rot k = [ [ xx + yy + zz, zy - yz, xz - zx, yx - xy,], [ zy - yz, xx - yy - zz, xy + yx, xz + zx,], [ xz - zx, xy + yx, yy - xx - zz, yz + zy,], [ yx - xy, xz + zx, yz + zy, zz - xx - yy,] ] k = (1./3.) * torch.stack([torch.stack(t, dim=-1) for t in k], dim=-2) _, vectors = torch.linalg.eigh(k) return vectors[..., -1] _QUAT_MULTIPLY = np.zeros((4, 4, 4)) _QUAT_MULTIPLY[:, :, 0] = [[ 1, 0, 0, 0], [ 0,-1, 0, 0], [ 0, 0,-1, 0], [ 0, 0, 0,-1]] _QUAT_MULTIPLY[:, :, 1] = [[ 0, 1, 0, 0], [ 1, 0, 0, 0], [ 0, 0, 0, 1], [ 0, 0,-1, 0]] _QUAT_MULTIPLY[:, :, 2] = [[ 0, 0, 1, 0], [ 0, 0, 0,-1], [ 1, 0, 0, 0], [ 0, 1, 0, 0]] _QUAT_MULTIPLY[:, :, 3] = [[ 0, 0, 0, 1], [ 0, 0, 1, 0], [ 0,-1, 0, 0], [ 1, 0, 0, 0]] _QUAT_MULTIPLY_BY_VEC = _QUAT_MULTIPLY[:, 1:, :] _CACHED_QUATS = { "_QTR_MAT": _QTR_MAT, "_QUAT_MULTIPLY": _QUAT_MULTIPLY, "_QUAT_MULTIPLY_BY_VEC": _QUAT_MULTIPLY_BY_VEC } @lru_cache(maxsize=None) def _get_quat(quat_key, dtype, device): return torch.tensor(_CACHED_QUATS[quat_key], dtype=dtype, device=device) def quat_multiply(quat1, quat2): """Multiply a quaternion by another quaternion.""" mat = _get_quat("_QUAT_MULTIPLY", dtype=quat1.dtype, device=quat1.device) reshaped_mat = mat.view((1,) * len(quat1.shape[:-1]) + mat.shape) return torch.sum( reshaped_mat * quat1[..., :, None, None] * quat2[..., None, :, None], dim=(-3, -2) ) def quat_multiply_by_vec(quat, vec): """Multiply a quaternion by a pure-vector quaternion.""" mat = _get_quat("_QUAT_MULTIPLY_BY_VEC", dtype=quat.dtype, device=quat.device) reshaped_mat = mat.view((1,) * len(quat.shape[:-1]) + mat.shape) return torch.sum( reshaped_mat * quat[..., :, None, None] * vec[..., None, :, None], dim=(-3, -2) ) def invert_rot_mat(rot_mat: torch.Tensor): return rot_mat.transpose(-1, -2) def invert_quat(quat: torch.Tensor): quat_prime = quat.clone() quat_prime[..., 1:] *= -1 inv = quat_prime / torch.sum(quat ** 2, dim=-1, keepdim=True) return inv class Rotation: """ A 3D rotation. Depending on how the object is initialized, the rotation is represented by either a rotation matrix or a quaternion, though both formats are made available by helper functions. To simplify gradient computation, the underlying format of the rotation cannot be changed in-place. Like Rigid, the class is designed to mimic the behavior of a torch Tensor, almost as if each Rotation object were a tensor of rotations, in one format or another. """ def __init__(self, rot_mats: Optional[torch.Tensor] = None, quats: Optional[torch.Tensor] = None, normalize_quats: bool = True, ): """ Args: rot_mats: A [*, 3, 3] rotation matrix tensor. Mutually exclusive with quats quats: A [*, 4] quaternion. Mutually exclusive with rot_mats. If normalize_quats is not True, must be a unit quaternion normalize_quats: If quats is specified, whether to normalize quats """ if((rot_mats is None and quats is None) or (rot_mats is not None and quats is not None)): raise ValueError("Exactly one input argument must be specified") if((rot_mats is not None and rot_mats.shape[-2:] != (3, 3)) or (quats is not None and quats.shape[-1] != 4)): raise ValueError( "Incorrectly shaped rotation matrix or quaternion" ) # Force full-precision if(quats is not None): quats = quats.to(dtype=torch.float32) if(rot_mats is not None): rot_mats = rot_mats.to(dtype=torch.float32) if(quats is not None and normalize_quats): quats = quats / torch.linalg.norm(quats, dim=-1, keepdim=True) self._rot_mats = rot_mats self._quats = quats @staticmethod def identity( shape, dtype: Optional[torch.dtype] = None, device: Optional[torch.device] = None, requires_grad: bool = True, fmt: str = "quat", ) -> Rotation: """ Returns an identity Rotation. Args: shape: The "shape" of the resulting Rotation object. See documentation for the shape property dtype: The torch dtype for the rotation device: The torch device for the new rotation requires_grad: Whether the underlying tensors in the new rotation object should require gradient computation fmt: One of "quat" or "rot_mat". Determines the underlying format of the new object's rotation Returns: A new identity rotation """ if(fmt == "rot_mat"): rot_mats = identity_rot_mats( shape, dtype, device, requires_grad, ) return Rotation(rot_mats=rot_mats, quats=None) elif(fmt == "quat"): quats = identity_quats(shape, dtype, device, requires_grad) return Rotation(rot_mats=None, quats=quats, normalize_quats=False) else: raise ValueError(f"Invalid format: f{fmt}") # Magic methods def __getitem__(self, index: Any) -> Rotation: """ Allows torch-style indexing over the virtual shape of the rotation object. See documentation for the shape property. Args: index: A torch index. E.g. (1, 3, 2), or (slice(None,)) Returns: The indexed rotation """ if type(index) != tuple: index = (index,) if(self._rot_mats is not None): rot_mats = self._rot_mats[index + (slice(None), slice(None))] return Rotation(rot_mats=rot_mats) elif(self._quats is not None): quats = self._quats[index + (slice(None),)] return Rotation(quats=quats, normalize_quats=False) else: raise ValueError("Both rotations are None") def __mul__(self, right: torch.Tensor, ) -> Rotation: """ Pointwise left multiplication of the rotation with a tensor. Can be used to e.g. mask the Rotation. Args: right: The tensor multiplicand Returns: The product """ if not(isinstance(right, torch.Tensor)): raise TypeError("The other multiplicand must be a Tensor") if(self._rot_mats is not None): rot_mats = self._rot_mats * right[..., None, None] return Rotation(rot_mats=rot_mats, quats=None) elif(self._quats is not None): quats = self._quats * right[..., None] return Rotation(rot_mats=None, quats=quats, normalize_quats=False) else: raise ValueError("Both rotations are None") def __rmul__(self, left: torch.Tensor, ) -> Rotation: """ Reverse pointwise multiplication of the rotation with a tensor. Args: left: The left multiplicand Returns: The product """ return self.__mul__(left) # Properties @property def shape(self) -> torch.Size: """ Returns the virtual shape of the rotation object. This shape is defined as the batch dimensions of the underlying rotation matrix or quaternion. If the Rotation was initialized with a [10, 3, 3] rotation matrix tensor, for example, the resulting shape would be [10]. Returns: The virtual shape of the rotation object """ s = None if(self._quats is not None): s = self._quats.shape[:-1] else: s = self._rot_mats.shape[:-2] return s @property def dtype(self) -> torch.dtype: """ Returns the dtype of the underlying rotation. Returns: The dtype of the underlying rotation """ if(self._rot_mats is not None): return self._rot_mats.dtype elif(self._quats is not None): return self._quats.dtype else: raise ValueError("Both rotations are None") @property def device(self) -> torch.device: """ The device of the underlying rotation Returns: The device of the underlying rotation """ if(self._rot_mats is not None): return self._rot_mats.device elif(self._quats is not None): return self._quats.device else: raise ValueError("Both rotations are None") @property def requires_grad(self) -> bool: """ Returns the requires_grad property of the underlying rotation Returns: The requires_grad property of the underlying tensor """ if(self._rot_mats is not None): return self._rot_mats.requires_grad elif(self._quats is not None): return self._quats.requires_grad else: raise ValueError("Both rotations are None") def get_rot_mats(self) -> torch.Tensor: """ Returns the underlying rotation as a rotation matrix tensor. Returns: The rotation as a rotation matrix tensor """ rot_mats = self._rot_mats if(rot_mats is None): if(self._quats is None): raise ValueError("Both rotations are None") else: rot_mats = quat_to_rot(self._quats) return rot_mats def get_quats(self) -> torch.Tensor: """ Returns the underlying rotation as a quaternion tensor. Depending on whether the Rotation was initialized with a quaternion, this function may call torch.linalg.eigh. Returns: The rotation as a quaternion tensor. """ quats = self._quats if(quats is None): if(self._rot_mats is None): raise ValueError("Both rotations are None") else: quats = rot_to_quat(self._rot_mats) return quats def get_cur_rot(self) -> torch.Tensor: """ Return the underlying rotation in its current form Returns: The stored rotation """ if(self._rot_mats is not None): return self._rot_mats elif(self._quats is not None): return self._quats else: raise ValueError("Both rotations are None") # Rotation functions def compose_q_update_vec(self, q_update_vec: torch.Tensor, normalize_quats: bool = True ) -> Rotation: """ Returns a new quaternion Rotation after updating the current object's underlying rotation with a quaternion update, formatted as a [*, 3] tensor whose final three columns represent x, y, z such that (1, x, y, z) is the desired (not necessarily unit) quaternion update. Args: q_update_vec: A [*, 3] quaternion update tensor normalize_quats: Whether to normalize the output quaternion Returns: An updated Rotation """ quats = self.get_quats() new_quats = quats + quat_multiply_by_vec(quats, q_update_vec) return Rotation( rot_mats=None, quats=new_quats, normalize_quats=normalize_quats, ) def compose_r(self, r: Rotation) -> Rotation: """ Compose the rotation matrices of the current Rotation object with those of another. Args: r: An update rotation object Returns: An updated rotation object """ r1 = self.get_rot_mats() r2 = r.get_rot_mats() new_rot_mats = rot_matmul(r1, r2) return Rotation(rot_mats=new_rot_mats, quats=None) def compose_q(self, r: Rotation, normalize_quats: bool = True) -> Rotation: """ Compose the quaternions of the current Rotation object with those of another. Depending on whether either Rotation was initialized with quaternions, this function may call torch.linalg.eigh. Args: r: An update rotation object Returns: An updated rotation object """ q1 = self.get_quats() q2 = r.get_quats() new_quats = quat_multiply(q1, q2) return Rotation( rot_mats=None, quats=new_quats, normalize_quats=normalize_quats ) def apply(self, pts: torch.Tensor) -> torch.Tensor: """ Apply the current Rotation as a rotation matrix to a set of 3D coordinates. Args: pts: A [*, 3] set of points Returns: [*, 3] rotated points """ rot_mats = self.get_rot_mats() return rot_vec_mul(rot_mats, pts) def invert_apply(self, pts: torch.Tensor) -> torch.Tensor: """ The inverse of the apply() method. Args: pts: A [*, 3] set of points Returns: [*, 3] inverse-rotated points """ rot_mats = self.get_rot_mats() inv_rot_mats = invert_rot_mat(rot_mats) return rot_vec_mul(inv_rot_mats, pts) def invert(self) -> Rotation: """ Returns the inverse of the current Rotation. Returns: The inverse of the current Rotation """ if(self._rot_mats is not None): return Rotation( rot_mats=invert_rot_mat(self._rot_mats), quats=None ) elif(self._quats is not None): return Rotation( rot_mats=None, quats=invert_quat(self._quats), normalize_quats=False, ) else: raise ValueError("Both rotations are None") # "Tensor" stuff def unsqueeze(self, dim: int, ) -> Rigid: """ Analogous to torch.unsqueeze. The dimension is relative to the shape of the Rotation object. Args: dim: A positive or negative dimension index. Returns: The unsqueezed Rotation. """ if dim >= len(self.shape): raise ValueError("Invalid dimension") if(self._rot_mats is not None): rot_mats = self._rot_mats.unsqueeze(dim if dim >= 0 else dim - 2) return Rotation(rot_mats=rot_mats, quats=None) elif(self._quats is not None): quats = self._quats.unsqueeze(dim if dim >= 0 else dim - 1) return Rotation(rot_mats=None, quats=quats, normalize_quats=False) else: raise ValueError("Both rotations are None") @staticmethod def cat( rs: Sequence[Rotation], dim: int, ) -> Rigid: """ Concatenates rotations along one of the batch dimensions. Analogous to torch.cat(). Note that the output of this operation is always a rotation matrix, regardless of the format of input rotations. Args: rs: A list of rotation objects dim: The dimension along which the rotations should be concatenated Returns: A concatenated Rotation object in rotation matrix format """ rot_mats = [r.get_rot_mats() for r in rs] rot_mats = torch.cat(rot_mats, dim=dim if dim >= 0 else dim - 2) return Rotation(rot_mats=rot_mats, quats=None) def map_tensor_fn(self, fn: Callable[torch.Tensor, torch.Tensor] ) -> Rotation: """ Apply a Tensor -> Tensor function to underlying rotation tensors, mapping over the rotation dimension(s). Can be used e.g. to sum out a one-hot batch dimension. Args: fn: A Tensor -> Tensor function to be mapped over the Rotation Returns: The transformed Rotation object """ if(self._rot_mats is not None): rot_mats = self._rot_mats.view(self._rot_mats.shape[:-2] + (9,)) rot_mats = torch.stack( list(map(fn, torch.unbind(rot_mats, dim=-1))), dim=-1 ) rot_mats = rot_mats.view(rot_mats.shape[:-1] + (3, 3)) return Rotation(rot_mats=rot_mats, quats=None) elif(self._quats is not None): quats = torch.stack( list(map(fn, torch.unbind(self._quats, dim=-1))), dim=-1 ) return Rotation(rot_mats=None, quats=quats, normalize_quats=False) else: raise ValueError("Both rotations are None") def cuda(self) -> Rotation: """ Analogous to the cuda() method of torch Tensors Returns: A copy of the Rotation in CUDA memory """ if(self._rot_mats is not None): return Rotation(rot_mats=self._rot_mats.cuda(), quats=None) elif(self._quats is not None): return Rotation( rot_mats=None, quats=self._quats.cuda(), normalize_quats=False ) else: raise ValueError("Both rotations are None") def to(self, device: Optional[torch.device], dtype: Optional[torch.dtype] ) -> Rotation: """ Analogous to the to() method of torch Tensors Args: device: A torch device dtype: A torch dtype Returns: A copy of the Rotation using the new device and dtype """ if(self._rot_mats is not None): return Rotation( rot_mats=self._rot_mats.to(device=device, dtype=dtype), quats=None, ) elif(self._quats is not None): return Rotation( rot_mats=None, quats=self._quats.to(device=device, dtype=dtype), normalize_quats=False, ) else: raise ValueError("Both rotations are None") def detach(self) -> Rotation: """ Returns a copy of the Rotation whose underlying Tensor has been detached from its torch graph. Returns: A copy of the Rotation whose underlying Tensor has been detached from its torch graph """ if(self._rot_mats is not None): return Rotation(rot_mats=self._rot_mats.detach(), quats=None) elif(self._quats is not None): return Rotation( rot_mats=None, quats=self._quats.detach(), normalize_quats=False, ) else: raise ValueError("Both rotations are None") class Rigid: """ A class representing a rigid transformation. Little more than a wrapper around two objects: a Rotation object and a [*, 3] translation Designed to behave approximately like a single torch tensor with the shape of the shared batch dimensions of its component parts. """ def __init__(self, rots: Optional[Rotation], trans: Optional[torch.Tensor], ): """ Args: rots: A [*, 3, 3] rotation tensor trans: A corresponding [*, 3] translation tensor """ # (we need device, dtype, etc. from at least one input) batch_dims, dtype, device, requires_grad = None, None, None, None if(trans is not None): batch_dims = trans.shape[:-1] dtype = trans.dtype device = trans.device requires_grad = trans.requires_grad elif(rots is not None): batch_dims = rots.shape dtype = rots.dtype device = rots.device requires_grad = rots.requires_grad else: raise ValueError("At least one input argument must be specified") if(rots is None): rots = Rotation.identity( batch_dims, dtype, device, requires_grad, ) elif(trans is None): trans = identity_trans( batch_dims, dtype, device, requires_grad, ) if((rots.shape != trans.shape[:-1]) or (rots.device != trans.device)): raise ValueError("Rots and trans incompatible") # Force full precision. Happens to the rotations automatically. trans = trans.to(dtype=torch.float32) self._rots = rots self._trans = trans @staticmethod def identity( shape: Tuple[int], dtype: Optional[torch.dtype] = None, device: Optional[torch.device] = None, requires_grad: bool = True, fmt: str = "quat", ) -> Rigid: """ Constructs an identity transformation. Args: shape: The desired shape dtype: The dtype of both internal tensors device: The device of both internal tensors requires_grad: Whether grad should be enabled for the internal tensors Returns: The identity transformation """ return Rigid( Rotation.identity(shape, dtype, device, requires_grad, fmt=fmt), identity_trans(shape, dtype, device, requires_grad), ) def __getitem__(self, index: Any, ) -> Rigid: """ Indexes the affine transformation with PyTorch-style indices. The index is applied to the shared dimensions of both the rotation and the translation. E.g.:: r = Rotation(rot_mats=torch.rand(10, 10, 3, 3), quats=None) t = Rigid(r, torch.rand(10, 10, 3)) indexed = t[3, 4:6] assert(indexed.shape == (2,)) assert(indexed.get_rots().shape == (2,)) assert(indexed.get_trans().shape == (2, 3)) Args: index: A standard torch tensor index. E.g. 8, (10, None, 3), or (3, slice(0, 1, None)) Returns: The indexed tensor """ if type(index) != tuple: index = (index,) return Rigid( self._rots[index], self._trans[index + (slice(None),)], ) def __mul__(self, right: torch.Tensor, ) -> Rigid: """ Pointwise left multiplication of the transformation with a tensor. Can be used to e.g. mask the Rigid. Args: right: The tensor multiplicand Returns: The product """ if not(isinstance(right, torch.Tensor)): raise TypeError("The other multiplicand must be a Tensor") new_rots = self._rots * right new_trans = self._trans * right[..., None] return Rigid(new_rots, new_trans) def __rmul__(self, left: torch.Tensor, ) -> Rigid: """ Reverse pointwise multiplication of the transformation with a tensor. Args: left: The left multiplicand Returns: The product """ return self.__mul__(left) @property def shape(self) -> torch.Size: """ Returns the shape of the shared dimensions of the rotation and the translation. Returns: The shape of the transformation """ s = self._trans.shape[:-1] return s @property def device(self) -> torch.device: """ Returns the device on which the Rigid's tensors are located. Returns: The device on which the Rigid's tensors are located """ return self._trans.device def get_rots(self) -> Rotation: """ Getter for the rotation. Returns: The rotation object """ return self._rots def get_trans(self) -> torch.Tensor: """ Getter for the translation. Returns: The stored translation """ return self._trans def compose_q_update_vec(self, q_update_vec: torch.Tensor, ) -> Rigid: """ Composes the transformation with a quaternion update vector of shape [*, 6], where the final 6 columns represent the x, y, and z values of a quaternion of form (1, x, y, z) followed by a 3D translation. Args: q_vec: The quaternion update vector. Returns: The composed transformation. """ q_vec, t_vec = q_update_vec[..., :3], q_update_vec[..., 3:] new_rots = self._rots.compose_q_update_vec(q_vec) trans_update = self._rots.apply(t_vec) new_translation = self._trans + trans_update return Rigid(new_rots, new_translation) def compose(self, r: Rigid, ) -> Rigid: """ Composes the current rigid object with another. Args: r: Another Rigid object Returns: The composition of the two transformations """ new_rot = self._rots.compose_r(r._rots) new_trans = self._rots.apply(r._trans) + self._trans return Rigid(new_rot, new_trans) def apply(self, pts: torch.Tensor, ) -> torch.Tensor: """ Applies the transformation to a coordinate tensor. Args: pts: A [*, 3] coordinate tensor. Returns: The transformed points. """ rotated = self._rots.apply(pts) return rotated + self._trans def invert_apply(self, pts: torch.Tensor ) -> torch.Tensor: """ Applies the inverse of the transformation to a coordinate tensor. Args: pts: A [*, 3] coordinate tensor Returns: The transformed points. """ pts = pts - self._trans return self._rots.invert_apply(pts) def invert(self) -> Rigid: """ Inverts the transformation. Returns: The inverse transformation. """ rot_inv = self._rots.invert() trn_inv = rot_inv.apply(self._trans) return Rigid(rot_inv, -1 * trn_inv) def map_tensor_fn(self, fn: Callable[torch.Tensor, torch.Tensor] ) -> Rigid: """ Apply a Tensor -> Tensor function to underlying translation and rotation tensors, mapping over the translation/rotation dimensions respectively. Args: fn: A Tensor -> Tensor function to be mapped over the Rigid Returns: The transformed Rigid object """ new_rots = self._rots.map_tensor_fn(fn) new_trans = torch.stack( list(map(fn, torch.unbind(self._trans, dim=-1))), dim=-1 ) return Rigid(new_rots, new_trans) def to_tensor_4x4(self) -> torch.Tensor: """ Converts a transformation to a homogenous transformation tensor. Returns: A [*, 4, 4] homogenous transformation tensor """ tensor = self._trans.new_zeros((*self.shape, 4, 4)) tensor[..., :3, :3] = self._rots.get_rot_mats() tensor[..., :3, 3] = self._trans tensor[..., 3, 3] = 1 return tensor @staticmethod def from_tensor_4x4( t: torch.Tensor ) -> Rigid: """ Constructs a transformation from a homogenous transformation tensor. Args: t: [*, 4, 4] homogenous transformation tensor Returns: T object with shape [*] """ if(t.shape[-2:] != (4, 4)): raise ValueError("Incorrectly shaped input tensor") rots = Rotation(rot_mats=t[..., :3, :3], quats=None) trans = t[..., :3, 3] return Rigid(rots, trans) def to_tensor_7(self) -> torch.Tensor: """ Converts a transformation to a tensor with 7 final columns, four for the quaternion followed by three for the translation. Returns: A [*, 7] tensor representation of the transformation """ tensor = self._trans.new_zeros((*self.shape, 7)) tensor[..., :4] = self._rots.get_quats() tensor[..., 4:] = self._trans return tensor @staticmethod def from_tensor_7( t: torch.Tensor, normalize_quats: bool = False, ) -> Rigid: if(t.shape[-1] != 7): raise ValueError("Incorrectly shaped input tensor") quats, trans = t[..., :4], t[..., 4:] rots = Rotation( rot_mats=None, quats=quats, normalize_quats=normalize_quats ) return Rigid(rots, trans) @staticmethod def from_3_points( p_neg_x_axis: torch.Tensor, origin: torch.Tensor, p_xy_plane: torch.Tensor, eps: float = 1e-8 ) -> Rigid: """ Implements algorithm 21. Constructs transformations from sets of 3 points using the Gram-Schmidt algorithm. Args: p_neg_x_axis: [*, 3] coordinates origin: [*, 3] coordinates used as frame origins p_xy_plane: [*, 3] coordinates eps: Small epsilon value Returns: A transformation object of shape [*] """ p_neg_x_axis = torch.unbind(p_neg_x_axis, dim=-1) origin = torch.unbind(origin, dim=-1) p_xy_plane = torch.unbind(p_xy_plane, dim=-1) e0 = [c1 - c2 for c1, c2 in zip(origin, p_neg_x_axis)] e1 = [c1 - c2 for c1, c2 in zip(p_xy_plane, origin)] denom = torch.sqrt(sum((c * c for c in e0)) + eps) e0 = [c / denom for c in e0] dot = sum((c1 * c2 for c1, c2 in zip(e0, e1))) e1 = [c2 - c1 * dot for c1, c2 in zip(e0, e1)] denom = torch.sqrt(sum((c * c for c in e1)) + eps) e1 = [c / denom for c in e1] e2 = [ e0[1] * e1[2] - e0[2] * e1[1], e0[2] * e1[0] - e0[0] * e1[2], e0[0] * e1[1] - e0[1] * e1[0], ] rots = torch.stack([c for tup in zip(e0, e1, e2) for c in tup], dim=-1) rots = rots.reshape(rots.shape[:-1] + (3, 3)) rot_obj = Rotation(rot_mats=rots, quats=None) return Rigid(rot_obj, torch.stack(origin, dim=-1)) def unsqueeze(self, dim: int, ) -> Rigid: """ Analogous to torch.unsqueeze. The dimension is relative to the shared dimensions of the rotation/translation. Args: dim: A positive or negative dimension index. Returns: The unsqueezed transformation. """ if dim >= len(self.shape): raise ValueError("Invalid dimension") rots = self._rots.unsqueeze(dim) trans = self._trans.unsqueeze(dim if dim >= 0 else dim - 1) return Rigid(rots, trans) @staticmethod def cat( ts: Sequence[Rigid], dim: int, ) -> Rigid: """ Concatenates transformations along a new dimension. Args: ts: A list of T objects dim: The dimension along which the transformations should be concatenated Returns: A concatenated transformation object """ rots = Rotation.cat([t._rots for t in ts], dim) trans = torch.cat( [t._trans for t in ts], dim=dim if dim >= 0 else dim - 1 ) return Rigid(rots, trans) def apply_rot_fn(self, fn: Callable[Rotation, Rotation]) -> Rigid: """ Applies a Rotation -> Rotation function to the stored rotation object. Args: fn: A function of type Rotation -> Rotation Returns: A transformation object with a transformed rotation. """ return Rigid(fn(self._rots), self._trans) def apply_trans_fn(self, fn: Callable[torch.Tensor, torch.Tensor]) -> Rigid: """ Applies a Tensor -> Tensor function to the stored translation. Args: fn: A function of type Tensor -> Tensor to be applied to the translation Returns: A transformation object with a transformed translation. """ return Rigid(self._rots, fn(self._trans)) def scale_translation(self, trans_scale_factor: float) -> Rigid: """ Scales the translation by a constant factor. Args: trans_scale_factor: The constant factor Returns: A transformation object with a scaled translation. """ fn = lambda t: t * trans_scale_factor return self.apply_trans_fn(fn) def stop_rot_gradient(self) -> Rigid: """ Detaches the underlying rotation object Returns: A transformation object with detached rotations """ fn = lambda r: r.detach() return self.apply_rot_fn(fn) @staticmethod def make_transform_from_reference(n_xyz, ca_xyz, c_xyz, eps=1e-20): """ Returns a transformation object from reference coordinates. Note that this method does not take care of symmetries. If you provide the atom positions in the non-standard way, the N atom will end up not at [-0.527250, 1.359329, 0.0] but instead at [-0.527250, -1.359329, 0.0]. You need to take care of such cases in your code. Args: n_xyz: A [*, 3] tensor of nitrogen xyz coordinates. ca_xyz: A [*, 3] tensor of carbon alpha xyz coordinates. c_xyz: A [*, 3] tensor of carbon xyz coordinates. Returns: A transformation object. After applying the translation and rotation to the reference backbone, the coordinates will approximately equal to the input coordinates. """ translation = -1 * ca_xyz n_xyz = n_xyz + translation c_xyz = c_xyz + translation c_x, c_y, c_z = [c_xyz[..., i] for i in range(3)] norm = torch.sqrt(eps + c_x ** 2 + c_y ** 2) sin_c1 = -c_y / norm cos_c1 = c_x / norm zeros = sin_c1.new_zeros(sin_c1.shape) ones = sin_c1.new_ones(sin_c1.shape) c1_rots = sin_c1.new_zeros((*sin_c1.shape, 3, 3)) c1_rots[..., 0, 0] = cos_c1 c1_rots[..., 0, 1] = -1 * sin_c1 c1_rots[..., 1, 0] = sin_c1 c1_rots[..., 1, 1] = cos_c1 c1_rots[..., 2, 2] = 1 norm = torch.sqrt(eps + c_x ** 2 + c_y ** 2 + c_z ** 2) sin_c2 = c_z / norm cos_c2 = torch.sqrt(c_x ** 2 + c_y ** 2) / norm c2_rots = sin_c2.new_zeros((*sin_c2.shape, 3, 3)) c2_rots[..., 0, 0] = cos_c2 c2_rots[..., 0, 2] = sin_c2 c2_rots[..., 1, 1] = 1 c2_rots[..., 2, 0] = -1 * sin_c2 c2_rots[..., 2, 2] = cos_c2 c_rots = rot_matmul(c2_rots, c1_rots) n_xyz = rot_vec_mul(c_rots, n_xyz) _, n_y, n_z = [n_xyz[..., i] for i in range(3)] norm = torch.sqrt(eps + n_y ** 2 + n_z ** 2) sin_n = -n_z / norm cos_n = n_y / norm n_rots = sin_c2.new_zeros((*sin_c2.shape, 3, 3)) n_rots[..., 0, 0] = 1 n_rots[..., 1, 1] = cos_n n_rots[..., 1, 2] = -1 * sin_n n_rots[..., 2, 1] = sin_n n_rots[..., 2, 2] = cos_n rots = rot_matmul(n_rots, c_rots) rots = rots.transpose(-1, -2) translation = -1 * translation rot_obj = Rotation(rot_mats=rots, quats=None) return Rigid(rot_obj, translation) def cuda(self) -> Rigid: """ Moves the transformation object to GPU memory Returns: A version of the transformation on GPU """ return Rigid(self._rots.cuda(), self._trans.cuda()) ================================================ FILE: vendor/openfold/openfold/utils/script_utils.py ================================================ import json import logging import os import re import time import numpy import torch from openfold.model.model import AlphaFold from openfold.np import residue_constants, protein from openfold.np.relax import relax from openfold.utils.import_weights import ( import_jax_weights_, ) from pytorch_lightning.utilities.deepspeed import ( convert_zero_checkpoint_to_fp32_state_dict ) logging.basicConfig() logger = logging.getLogger(__file__) logger.setLevel(level=logging.INFO) def count_models_to_evaluate(openfold_checkpoint_path, jax_param_path): model_count = 0 if openfold_checkpoint_path: model_count += len(openfold_checkpoint_path.split(",")) if jax_param_path: model_count += len(jax_param_path.split(",")) return model_count def get_model_basename(model_path): return os.path.splitext( os.path.basename( os.path.normpath(model_path) ) )[0] def make_output_directory(output_dir, model_name, multiple_model_mode): if multiple_model_mode: prediction_dir = os.path.join(output_dir, "predictions", model_name) else: prediction_dir = os.path.join(output_dir, "predictions") os.makedirs(prediction_dir, exist_ok=True) return prediction_dir def load_models_from_command_line(config, model_device, openfold_checkpoint_path, jax_param_path, output_dir): # Create the output directory multiple_model_mode = count_models_to_evaluate(openfold_checkpoint_path, jax_param_path) > 1 if multiple_model_mode: logger.info(f"evaluating multiple models") if jax_param_path: for path in jax_param_path.split(","): model_basename = get_model_basename(path) model_version = "_".join(model_basename.split("_")[1:]) model = AlphaFold(config) model = model.eval() import_jax_weights_( model, path, version=model_version ) model = model.to(model_device) logger.info( f"Successfully loaded JAX parameters at {path}..." ) output_directory = make_output_directory(output_dir, model_basename, multiple_model_mode) yield model, output_directory if openfold_checkpoint_path: for path in openfold_checkpoint_path.split(","): model = AlphaFold(config) model = model.eval() checkpoint_basename = get_model_basename(path) if os.path.isdir(path): # A DeepSpeed checkpoint ckpt_path = os.path.join( output_dir, checkpoint_basename + ".pt", ) if not os.path.isfile(ckpt_path): convert_zero_checkpoint_to_fp32_state_dict( path, ckpt_path, ) d = torch.load(ckpt_path) model.load_state_dict(d["ema"]["params"]) else: ckpt_path = path d = torch.load(ckpt_path) if "ema" in d: # The public weights have had this done to them already d = d["ema"]["params"] model.load_state_dict(d) model = model.to(model_device) logger.info( f"Loaded OpenFold parameters at {path}..." ) output_directory = make_output_directory(output_dir, checkpoint_basename, multiple_model_mode) yield model, output_directory if not jax_param_path and not openfold_checkpoint_path: raise ValueError( "At least one of jax_param_path or openfold_checkpoint_path must " "be specified." ) def parse_fasta(data): data = re.sub('>$', '', data, flags=re.M) lines = [ l.replace('\n', '') for prot in data.split('>') for l in prot.strip().split('\n', 1) ][1:] tags, seqs = lines[::2], lines[1::2] tags = [t.split()[0] for t in tags] return tags, seqs def update_timings(timing_dict, output_file=os.path.join(os.getcwd(), "timings.json")): """ Write dictionary of one or more run step times to a file """ if os.path.exists(output_file): with open(output_file, "r") as f: try: timings = json.load(f) except json.JSONDecodeError: logger.info(f"Overwriting non-standard JSON in {output_file}.") timings = {} else: timings = {} timings.update(timing_dict) with open(output_file, "w") as f: json.dump(timings, f) return output_file def run_model(model, batch, tag, output_dir): with torch.no_grad(): # Temporarily disable templates if there aren't any in the batch template_enabled = model.config.template.enabled model.config.template.enabled = template_enabled and any([ "template_" in k for k in batch ]) logger.info(f"Running inference for {tag}...") t = time.perf_counter() out = model(batch) inference_time = time.perf_counter() - t logger.info(f"Inference time: {inference_time}") update_timings({tag: {"inference": inference_time}}, os.path.join(output_dir, "timings.json")) model.config.template.enabled = template_enabled return out def prep_output(out, batch, feature_dict, feature_processor, config_preset, multimer_ri_gap, subtract_plddt): plddt = out["plddt"] plddt_b_factors = numpy.repeat( plddt[..., None], residue_constants.atom_type_num, axis=-1 ) if subtract_plddt: plddt_b_factors = 100 - plddt_b_factors # Prep protein metadata template_domain_names = [] template_chain_index = None if feature_processor.config.common.use_templates and "template_domain_names" in feature_dict: template_domain_names = [ t.decode("utf-8") for t in feature_dict["template_domain_names"] ] # This works because templates are not shuffled during inference template_domain_names = template_domain_names[ :feature_processor.config.predict.max_templates ] if "template_chain_index" in feature_dict: template_chain_index = feature_dict["template_chain_index"] template_chain_index = template_chain_index[ :feature_processor.config.predict.max_templates ] no_recycling = feature_processor.config.common.max_recycling_iters remark = ', '.join([ f"no_recycling={no_recycling}", f"max_templates={feature_processor.config.predict.max_templates}", f"config_preset={config_preset}", ]) # For multi-chain FASTAs ri = feature_dict["residue_index"] chain_index = (ri - numpy.arange(ri.shape[0])) / multimer_ri_gap chain_index = chain_index.astype(numpy.int64) cur_chain = 0 prev_chain_max = 0 for i, c in enumerate(chain_index): if c != cur_chain: cur_chain = c prev_chain_max = i + cur_chain * multimer_ri_gap batch["residue_index"][i] -= prev_chain_max unrelaxed_protein = protein.from_prediction( features=batch, result=out, b_factors=plddt_b_factors, chain_index=chain_index, remark=remark, parents=template_domain_names, parents_chain_index=template_chain_index, ) return unrelaxed_protein def relax_protein(config, model_device, unrelaxed_protein, output_directory, output_name, cif_output=False): amber_relaxer = relax.AmberRelaxation( use_gpu=(model_device != "cpu"), **config.relax, ) t = time.perf_counter() visible_devices = os.getenv("CUDA_VISIBLE_DEVICES", default="") if "cuda" in model_device: device_no = model_device.split(":")[-1] os.environ["CUDA_VISIBLE_DEVICES"] = device_no # the struct_str will contain either a PDB-format or a ModelCIF format string struct_str, _, _ = amber_relaxer.process(prot=unrelaxed_protein, cif_output=cif_output) os.environ["CUDA_VISIBLE_DEVICES"] = visible_devices relaxation_time = time.perf_counter() - t logger.info(f"Relaxation time: {relaxation_time}") update_timings({"relaxation": relaxation_time}, os.path.join(output_directory, "timings.json")) # Save the relaxed PDB. suffix = "_relaxed.pdb" if cif_output: suffix = "_relaxed.cif" relaxed_output_path = os.path.join( output_directory, f'{output_name}{suffix}' ) with open(relaxed_output_path, 'w') as fp: fp.write(struct_str) logger.info(f"Relaxed output written to {relaxed_output_path}...") ================================================ FILE: vendor/openfold/openfold/utils/seed.py ================================================ import os import logging import random import numpy as np from pytorch_lightning.utilities.seed import seed_everything from openfold.utils.suppress_output import SuppressLogging def seed_globally(seed=None): if("PL_GLOBAL_SEED" not in os.environ): if(seed is None): seed = random.randint(0, np.iinfo(np.uint32).max) os.environ["PL_GLOBAL_SEED"] = str(seed) logging.info(f'os.environ["PL_GLOBAL_SEED"] set to {seed}') # seed_everything is a bit log-happy with SuppressLogging(logging.INFO): seed_everything(seed=None) ================================================ FILE: vendor/openfold/openfold/utils/superimposition.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from Bio.SVDSuperimposer import SVDSuperimposer import numpy as np import torch def _superimpose_np(reference, coords): """ Superimposes coordinates onto a reference by minimizing RMSD using SVD. Args: reference: [N, 3] reference array coords: [N, 3] array Returns: A tuple of [N, 3] superimposed coords and the final RMSD. """ sup = SVDSuperimposer() sup.set(reference, coords) sup.run() return sup.get_transformed(), sup.get_rms() def _superimpose_single(reference, coords): reference_np = reference.detach().cpu().numpy() coords_np = coords.detach().cpu().numpy() superimposed, rmsd = _superimpose_np(reference_np, coords_np) return coords.new_tensor(superimposed), coords.new_tensor(rmsd) def superimpose(reference, coords, mask): """ Superimposes coordinates onto a reference by minimizing RMSD using SVD. Args: reference: [*, N, 3] reference tensor coords: [*, N, 3] tensor mask: [*, N] tensor Returns: A tuple of [*, N, 3] superimposed coords and [*] final RMSDs. """ def select_unmasked_coords(coords, mask): return torch.masked_select( coords, (mask > 0.)[..., None], ).reshape(-1, 3) batch_dims = reference.shape[:-2] flat_reference = reference.reshape((-1,) + reference.shape[-2:]) flat_coords = coords.reshape((-1,) + reference.shape[-2:]) flat_mask = mask.reshape((-1,) + mask.shape[-1:]) superimposed_list = [] rmsds = [] for r, c, m in zip(flat_reference, flat_coords, flat_mask): r_unmasked_coords = select_unmasked_coords(r, m) c_unmasked_coords = select_unmasked_coords(c, m) superimposed, rmsd = _superimpose_single( r_unmasked_coords, c_unmasked_coords ) # This is very inelegant, but idk how else to invert the masking # procedure. count = 0 superimposed_full_size = torch.zeros_like(r) for i, unmasked in enumerate(m): if(unmasked): superimposed_full_size[i] = superimposed[count] count += 1 superimposed_list.append(superimposed_full_size) rmsds.append(rmsd) superimposed_stacked = torch.stack(superimposed_list, dim=0) rmsds_stacked = torch.stack(rmsds, dim=0) superimposed_reshaped = superimposed_stacked.reshape( batch_dims + coords.shape[-2:] ) rmsds_reshaped = rmsds_stacked.reshape( batch_dims ) return superimposed_reshaped, rmsds_reshaped ================================================ FILE: vendor/openfold/openfold/utils/suppress_output.py ================================================ import logging import sys class SuppressStdout: def __enter__(self): self.stdout = sys.stdout dev_null = open("/dev/null", "w") sys.stdout = dev_null def __exit__(self, typ, value, traceback): fp = sys.stdout sys.stdout = self.stdout fp.close() class SuppressLogging: def __init__(self, level): self.level = level def __enter__(self): logging.disable(self.level) def __exit__(self, typ, value, traceback): logging.disable(logging.NOTSET) ================================================ FILE: vendor/openfold/openfold/utils/tensor_utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. from functools import partial import logging from typing import Tuple, List, Callable, Any, Dict, Sequence, Optional import torch import torch.nn as nn def add(m1, m2, inplace): # The first operation in a checkpoint can't be in-place, but it's # nice to have in-place addition during inference. Thus... if(not inplace): m1 = m1 + m2 else: m1 += m2 return m1 def permute_final_dims(tensor: torch.Tensor, inds: List[int]): zero_index = -1 * len(inds) first_inds = list(range(len(tensor.shape[:zero_index]))) return tensor.permute(first_inds + [zero_index + i for i in inds]) def flatten_final_dims(t: torch.Tensor, no_dims: int): return t.reshape(t.shape[:-no_dims] + (-1,)) def masked_mean(mask, value, dim, eps=1e-4): mask = mask.expand(*value.shape) return torch.sum(mask * value, dim=dim) / (eps + torch.sum(mask, dim=dim)) def pts_to_distogram(pts, min_bin=2.3125, max_bin=21.6875, no_bins=64): boundaries = torch.linspace( min_bin, max_bin, no_bins - 1, device=pts.device ) dists = torch.sqrt( torch.sum((pts.unsqueeze(-2) - pts.unsqueeze(-3)) ** 2, dim=-1) ) return torch.bucketize(dists, boundaries) def dict_multimap(fn, dicts): first = dicts[0] new_dict = {} for k, v in first.items(): all_v = [d[k] for d in dicts] if type(v) is dict: new_dict[k] = dict_multimap(fn, all_v) else: new_dict[k] = fn(all_v) return new_dict def one_hot(x, v_bins): reshaped_bins = v_bins.view(((1,) * len(x.shape)) + (len(v_bins),)) diffs = x[..., None] - reshaped_bins am = torch.argmin(torch.abs(diffs), dim=-1) return nn.functional.one_hot(am, num_classes=len(v_bins)).float() def batched_gather(data, inds, dim=0, no_batch_dims=0): ranges = [] for i, s in enumerate(data.shape[:no_batch_dims]): r = torch.arange(s) r = r.view(*(*((1,) * i), -1, *((1,) * (len(inds.shape) - i - 1)))) ranges.append(r) remaining_dims = [ slice(None) for _ in range(len(data.shape) - no_batch_dims) ] remaining_dims[dim - no_batch_dims if dim >= 0 else dim] = inds ranges.extend(remaining_dims) return data[ranges] # With tree_map, a poor man's JAX tree_map def dict_map(fn, dic, leaf_type): new_dict = {} for k, v in dic.items(): if type(v) is dict: new_dict[k] = dict_map(fn, v, leaf_type) else: new_dict[k] = tree_map(fn, v, leaf_type) return new_dict def tree_map(fn, tree, leaf_type): if isinstance(tree, dict): return dict_map(fn, tree, leaf_type) elif isinstance(tree, list): return [tree_map(fn, x, leaf_type) for x in tree] elif isinstance(tree, tuple): return tuple([tree_map(fn, x, leaf_type) for x in tree]) elif isinstance(tree, leaf_type): return fn(tree) else: print(type(tree)) raise ValueError("Not supported") tensor_tree_map = partial(tree_map, leaf_type=torch.Tensor) ================================================ FILE: vendor/openfold/openfold/utils/trace_utils.py ================================================ # Copyright 2022 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import contextlib from functools import partialmethod import numpy as np import torch from openfold.utils.tensor_utils import tensor_tree_map def pad_feature_dict_seq(feature_dict, seqlen): """ Pads the sequence length of a feature dict. Used for tracing. """ # The real sequence length can't be longer than the desired one true_n = feature_dict["aatype"].shape[-2] assert(true_n <= seqlen) new_feature_dict = {} feat_seq_dims = { "aatype": -2, "between_segment_residues": -1, "residue_index": -1, "seq_length": -1, "deletion_matrix_int": -1, "msa": -1, "num_alignments": -1, "template_aatype": -2, "template_all_atom_mask": -2, "template_all_atom_positions": -3, } for k,v in feature_dict.items(): if(k not in feat_seq_dims): new_feature_dict[k] = v continue seq_dim = feat_seq_dims[k] padded_shape = list(v.shape) padded_shape[seq_dim] = seqlen new_value = np.zeros(padded_shape, dtype=v.dtype) new_value[tuple(slice(0, s) for s in v.shape)] = v new_feature_dict[k] = new_value new_feature_dict["seq_length"][0] = seqlen return new_feature_dict def trace_model_(model, sample_input): # Grab the inputs to the final recycling iteration feats = tensor_tree_map(lambda t: t[..., -1], sample_input) # Gather some metadata n = feats["aatype"].shape[-1] msa_depth = feats["true_msa"].shape[-2] extra_msa_depth = feats["extra_msa"].shape[-2] no_templates = feats["template_aatype"].shape[-2] device = feats["aatype"].device seq_mask = feats["seq_mask"].to(device) pair_mask = seq_mask[..., None] * seq_mask[..., None, :] extra_msa_mask = feats["extra_msa_mask"].to(device) template_pair_mask = torch.stack([pair_mask] * no_templates, dim=-3) # Create some fake representations with the correct shapes m = torch.rand(msa_depth + 4, n, model.globals.c_m).to(device) z = torch.rand(n, n, model.globals.c_z).to(device) t = torch.rand(no_templates, n, n, model.globals.c_t).to(device) a = torch.rand(extra_msa_depth, n, model.globals.c_e).to(device) msa_mask = torch.randint(0, 1, (msa_depth + 4, n)).to(device) # We need to do a dry run through the model so the chunk size tuners' # trial runs (which run during the first-ever model iteration) aren't # baked into the trace. There's no need to run the entire thing, # though; we just need to run one block from each transformer stack. evoformer_blocks = model.evoformer.blocks model.evoformer.blocks = evoformer_blocks[:1] extra_msa_blocks = model.extra_msa_stack.blocks model.extra_msa_stack.blocks = extra_msa_blocks[:1] if(model.template_config.enabled): template_pair_stack_blocks = model.template_pair_stack.blocks model.template_pair_stack.blocks = template_pair_stack_blocks[:1] single_recycling_iter_input = tensor_tree_map( lambda t: t[..., :1], sample_input, ) with torch.no_grad(): _ = model(single_recycling_iter_input) model.evoformer.blocks = evoformer_blocks model.extra_msa_stack.blocks = extra_msa_blocks del evoformer_blocks, extra_msa_blocks if(model.template_config.enabled): model.template_pair_stack.blocks = template_pair_stack_blocks del template_pair_stack_blocks def get_tuned_chunk_size(module): tuner = module.chunk_size_tuner chunk_size = tuner.cached_chunk_size # After our trial run above, this should always be set assert(chunk_size is not None) return chunk_size # Fetch the resulting chunk sizes evoformer_chunk_size = model.globals.chunk_size if(model.evoformer.chunk_size_tuner is not None): evoformer_chunk_size = get_tuned_chunk_size(model.evoformer) extra_msa_chunk_size = model.globals.chunk_size if(model.extra_msa_stack.chunk_size_tuner is not None): extra_msa_chunk_size = get_tuned_chunk_size(model.extra_msa_stack) if(model.template_config.enabled): template_pair_stack_chunk_size = model.globals.chunk_size if(model.template_pair_stack.chunk_size_tuner is not None): template_pair_stack_chunk_size = get_tuned_chunk_size( model.template_pair_stack ) def trace_block(block, block_inputs): # Yes, yes, I know with contextlib.redirect_stderr(None): traced_block = torch.jit.trace(block, block_inputs) traced_block = torch.jit.freeze(traced_block, optimize_numerics=True) # It would be nice to use this, but its runtimes are extremely # unpredictable # traced_block = torch.jit.optimize_for_inference(traced_block) # All trace inputs need to be tensors. This wrapper takes care of that def traced_block_wrapper(*args, **kwargs): to_tensor = lambda t: torch.tensor(t) if type(t) != torch.Tensor else t args = [to_tensor(a) for a in args] kwargs = {k: to_tensor(v) for k,v in kwargs.items()} return traced_block(*args, **kwargs) return traced_block_wrapper def verify_arg_order(fn, arg_list): """ Because it's difficult to specify keyword arguments of Module functions during tracing, we need to pass them as a tuple. As a sanity check, we manually verify their order here. """ fn_arg_names = fn.__code__.co_varnames # Remove the "self" parameter assert(fn_arg_names[0] == "self") fn_arg_names = fn_arg_names[1:] # Trim unspecified arguments fn_arg_names = fn_arg_names[:len(arg_list)] name_tups = list(zip(fn_arg_names, [n for n, _ in arg_list])) assert(all([n1 == n2 for n1, n2 in name_tups])) evoformer_attn_chunk_size = max( model.globals.chunk_size, evoformer_chunk_size // 4 ) # MSA row attention msa_att_row_arg_tuples = [ ("m", m), ("z", z), ("mask", msa_mask), ("chunk_size", torch.tensor(evoformer_attn_chunk_size)), ("use_memory_efficient_kernel", torch.tensor(False)), ("use_lma", torch.tensor(model.globals.use_lma)), ] verify_arg_order( model.evoformer.blocks[0].msa_att_row.forward, msa_att_row_arg_tuples ) msa_att_row_args = [arg for _, arg in msa_att_row_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.msa_att_row, msa_att_row_args ) del b.msa_att_row b.msa_att_row = traced_block # MSA col attention msa_att_col_arg_tuples = [ ("m", m), ("mask", msa_mask), ("chunk_size", torch.tensor(evoformer_chunk_size)), ("use_lma", torch.tensor(model.globals.use_lma)), ("use_flash", torch.tensor(model.globals.use_flash)), ] verify_arg_order( model.evoformer.blocks[0].msa_att_col.forward, msa_att_col_arg_tuples ) msa_att_col_args = [arg for _, arg in msa_att_col_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.msa_att_col, msa_att_col_args ) del b.msa_att_col b.msa_att_col = traced_block # OPM opm_arg_tuples = [ ("m", m), ("mask", msa_mask.float()), ("chunk_size", torch.tensor(evoformer_chunk_size)), ("inplace_safe", torch.tensor(True)), ] verify_arg_order( model.evoformer.blocks[0].core.outer_product_mean.forward, opm_arg_tuples ) opm_args = [arg for _, arg in opm_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.core.outer_product_mean, opm_args ) del b.core.outer_product_mean b.core.outer_product_mean = traced_block # Triangular multiplicative update (out) tri_mul_out_arg_tuples = [ ("z", z), ("mask", pair_mask.float()), ("inplace_safe", torch.tensor(True)), ("_add_with_inplace", torch.tensor(True)), ] verify_arg_order( model.evoformer.blocks[0].core.tri_mul_out.forward, tri_mul_out_arg_tuples ) tri_mul_out_args = [arg for _, arg in tri_mul_out_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.core.tri_mul_out, tri_mul_out_args ) del b.core.tri_mul_out b.core.tri_mul_out = traced_block # Triangular multiplicative update (in) tri_mul_in_arg_tuples = [ ("z", z), ("mask", pair_mask.float()), ("inplace_safe", torch.tensor(True)), ("_add_with_inplace", torch.tensor(True)), ] verify_arg_order( model.evoformer.blocks[0].core.tri_mul_in.forward, tri_mul_in_arg_tuples ) tri_mul_in_args = [arg for _, arg in tri_mul_in_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.core.tri_mul_in, tri_mul_in_args ) del b.core.tri_mul_in b.core.tri_mul_in = traced_block # Triangular attention (start) tri_att_start_arg_tuples = [ ("x", z), ("mask", pair_mask.float()), ("chunk_size", torch.tensor(evoformer_attn_chunk_size)), ("use_memory_efficient_kernel", torch.tensor(False)), ("use_lma", torch.tensor(model.globals.use_lma)), ("inplace_safe", torch.tensor(True)), ] verify_arg_order( model.evoformer.blocks[0].core.tri_att_start.forward, tri_att_start_arg_tuples ) tri_att_start_args = [arg for _, arg in tri_att_start_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.core.tri_att_start, tri_att_start_args ) del b.core.tri_att_start b.core.tri_att_start = traced_block # Triangular attention (end) tri_att_end_arg_tuples = [ ("x", z.transpose(-2, -3)), ("mask", pair_mask.transpose(-1, -2).float()), ("chunk_size", torch.tensor(evoformer_attn_chunk_size)), ("use_memory_efficient_kernel", torch.tensor(False)), ("use_lma", torch.tensor(model.globals.use_lma)), ("inplace_safe", torch.tensor(True)), ] verify_arg_order( model.evoformer.blocks[0].core.tri_att_end.forward, tri_att_end_arg_tuples ) tri_att_end_args = [arg for _, arg in tri_att_end_arg_tuples] with torch.no_grad(): for b in model.evoformer.blocks: traced_block = trace_block( b.core.tri_att_end, tri_att_end_args ) del b.core.tri_att_end b.core.tri_att_end = traced_block #evoformer_arg_tuples = [ # ("m", m), # ("z", z), # ("msa_mask", msa_mask), # ("pair_mask", pair_mask), # ("chunk_size", torch.tensor(evoformer_chunk_size)), # ("use_lma", torch.tensor(model.globals.use_lma)), # ("use_flash", torch.tensor(model.globals.use_flash)), # ("inplace_safe", torch.tensor(1)), # ("_mask_trans", torch.tensor(model.config._mask_trans)), # ("_attn_chunk_size", torch.tensor(evoformer_attn_chunk_size)), #] #verify_arg_order(model.evoformer.blocks[0].forward, evoformer_arg_tuples) #evoformer_args = [arg for _, arg in evoformer_arg_tuples] #with torch.no_grad(): # traced_evoformer_stack = [] # for b in model.evoformer.blocks: # traced_block = trace_block(b, evoformer_args) # traced_evoformer_stack.append(traced_block) #del model.evoformer.blocks #model.evoformer.blocks = traced_evoformer_stack # with torch.no_grad(): # for b in model.evoformer.blocks: # _ = b(*evoformer_args) # # with torch.no_grad(): # for b in model.evoformer.blocks: # _ = b(*evoformer_args) # extra_msa_attn_chunk_size = max( # model.globals.chunk_size, extra_msa_chunk_size // 4 # ) # extra_msa_arg_tuples = [ # ("m", a), # ("z", z), # ("msa_mask", extra_msa_mask), # ("pair_mask", pair_mask), # ("chunk_size", torch.tensor(extra_msa_chunk_size)), # ("use_lma", torch.tensor(model.globals.use_lma)), # ("inplace_safe", torch.tensor(1)), # ("_mask_trans", torch.tensor(model.config._mask_trans)), # ("_attn_chunk_size", torch.tensor(extra_msa_attn_chunk_size)), # ] # verify_arg_order( # model.extra_msa_stack.blocks[0].forward, extra_msa_arg_tuples # ) # extra_msa_args = [arg for _, arg in extra_msa_arg_tuples] # with torch.no_grad(): # traced_extra_msa_stack = [] # for b in model.extra_msa_stack.blocks: # traced_block = trace_block(b, extra_msa_args) # traced_extra_msa_stack.append(traced_block) # # del model.extra_msa_stack.blocks # model.extra_msa_stack.blocks = traced_extra_msa_stack # if(model.template_config.enabled): # template_pair_stack_attn_chunk_size = max( # model.globals.chunk_size, template_pair_stack_chunk_size // 4 # ) # template_pair_stack_arg_tuples = [ # ("z", t), # ("mask", template_pair_mask), # ("chunk_size", torch.tensor(template_pair_stack_chunk_size)), # ("use_lma", torch.tensor(model.globals.use_lma)), # ("inplace_safe", torch.tensor(1)), # ("_mask_trans", torch.tensor(model.config._mask_trans)), # ("_attn_chunk_size", torch.tensor( # template_pair_stack_attn_chunk_size # )), # ] # verify_arg_order( # model.template_pair_stack.blocks[0].forward, # template_pair_stack_arg_tuples # ) # template_pair_stack_args = [ # arg for _, arg in template_pair_stack_arg_tuples # ] # # with torch.no_grad(): # traced_template_pair_stack = [] # for b in model.template_pair_stack.blocks: # traced_block = trace_block(b, template_pair_stack_args) # traced_template_pair_stack.append(traced_block) # # del model.template_pair_stack.blocks # model.template_pair_stack.blocks = traced_template_pair_stack # We need to do another dry run after tracing to allow the model to reach # top speeds. Why, I don't know. two_recycling_iter_input = tensor_tree_map( lambda t: t[..., :2], sample_input, ) with torch.no_grad(): _ = model(two_recycling_iter_input) ================================================ FILE: vendor/openfold/openfold/utils/validation_metrics.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch def drmsd(structure_1, structure_2, mask=None): def prep_d(structure): d = structure[..., :, None, :] - structure[..., None, :, :] d = d ** 2 d = torch.sqrt(torch.sum(d, dim=-1)) return d d1 = prep_d(structure_1) d2 = prep_d(structure_2) drmsd = d1 - d2 drmsd = drmsd ** 2 if(mask is not None): drmsd = drmsd * (mask[..., None] * mask[..., None, :]) drmsd = torch.sum(drmsd, dim=(-1, -2)) n = d1.shape[-1] if mask is None else torch.min(torch.sum(mask, dim=-1)) drmsd = drmsd * (1 / (n * (n - 1))) if n > 1 else (drmsd * 0.) drmsd = torch.sqrt(drmsd) return drmsd def drmsd_np(structure_1, structure_2, mask=None): structure_1 = torch.tensor(structure_1) structure_2 = torch.tensor(structure_2) if(mask is not None): mask = torch.tensor(mask) return drmsd(structure_1, structure_2, mask) def gdt(p1, p2, mask, cutoffs): n = torch.sum(mask, dim=-1) p1 = p1.float() p2 = p2.float() distances = torch.sqrt(torch.sum((p1 - p2)**2, dim=-1)) scores = [] for c in cutoffs: score = torch.sum((distances <= c) * mask, dim=-1) / n score = torch.mean(score) scores.append(score) return sum(scores) / len(scores) def gdt_ts(p1, p2, mask): return gdt(p1, p2, mask, [1., 2., 4., 8.]) def gdt_ha(p1, p2, mask): return gdt(p1, p2, mask, [0.5, 1., 2., 4.]) ================================================ FILE: vendor/openfold/run_pretrained_openfold.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import argparse import logging import math import numpy as np import os from openfold.utils.script_utils import load_models_from_command_line, parse_fasta, run_model, prep_output, \ update_timings, relax_protein logging.basicConfig() logger = logging.getLogger(__file__) logger.setLevel(level=logging.INFO) import pickle import random import time import torch torch_versions = torch.__version__.split(".") torch_major_version = int(torch_versions[0]) torch_minor_version = int(torch_versions[1]) if( torch_major_version > 1 or (torch_major_version == 1 and torch_minor_version >= 12) ): # Gives a large speedup on Ampere-class GPUs torch.set_float32_matmul_precision("high") torch.set_grad_enabled(False) from openfold.config import model_config from openfold.data import templates, feature_pipeline, data_pipeline from openfold.np import residue_constants, protein import openfold.np.relax.relax as relax from openfold.utils.tensor_utils import ( tensor_tree_map, ) from openfold.utils.trace_utils import ( pad_feature_dict_seq, trace_model_, ) from scripts.precompute_embeddings import EmbeddingGenerator from scripts.utils import add_data_args TRACING_INTERVAL = 50 def precompute_alignments(tags, seqs, alignment_dir, args): for tag, seq in zip(tags, seqs): tmp_fasta_path = os.path.join(args.output_dir, f"tmp_{os.getpid()}.fasta") with open(tmp_fasta_path, "w") as fp: fp.write(f">{tag}\n{seq}") local_alignment_dir = os.path.join(alignment_dir, tag) if(args.use_precomputed_alignments is None and not os.path.isdir(local_alignment_dir)): logger.info(f"Generating alignments for {tag}...") os.makedirs(local_alignment_dir) # In seqemb mode, use AlignmentRunner only to generate templates if args.use_single_seq_mode: alignment_runner = data_pipeline.AlignmentRunner( jackhmmer_binary_path=args.jackhmmer_binary_path, hhsearch_binary_path=args.hhsearch_binary_path, uniref90_database_path=args.uniref90_database_path, pdb70_database_path=args.pdb70_database_path, no_cpus=args.cpus, ) embedding_generator = EmbeddingGenerator() embedding_generator.run(tmp_fasta_path, alignment_dir) else: alignment_runner = data_pipeline.AlignmentRunner( jackhmmer_binary_path=args.jackhmmer_binary_path, hhblits_binary_path=args.hhblits_binary_path, hhsearch_binary_path=args.hhsearch_binary_path, uniref90_database_path=args.uniref90_database_path, mgnify_database_path=args.mgnify_database_path, bfd_database_path=args.bfd_database_path, uniclust30_database_path=args.uniclust30_database_path, pdb70_database_path=args.pdb70_database_path, no_cpus=args.cpus, ) alignment_runner.run( tmp_fasta_path, local_alignment_dir ) else: logger.info( f"Using precomputed alignments for {tag} at {alignment_dir}..." ) # Remove temporary FASTA file os.remove(tmp_fasta_path) def round_up_seqlen(seqlen): return int(math.ceil(seqlen / TRACING_INTERVAL)) * TRACING_INTERVAL def generate_feature_dict( tags, seqs, alignment_dir, data_processor, args, ): tmp_fasta_path = os.path.join(args.output_dir, f"tmp_{os.getpid()}.fasta") if len(seqs) == 1: tag = tags[0] seq = seqs[0] with open(tmp_fasta_path, "w") as fp: fp.write(f">{tag}\n{seq}") local_alignment_dir = os.path.join(alignment_dir, tag) feature_dict = data_processor.process_fasta( fasta_path=tmp_fasta_path, alignment_dir=local_alignment_dir, seqemb_mode=args.use_single_seq_mode, ) else: with open(tmp_fasta_path, "w") as fp: fp.write( '\n'.join([f">{tag}\n{seq}" for tag, seq in zip(tags, seqs)]) ) feature_dict = data_processor.process_multiseq_fasta( fasta_path=tmp_fasta_path, super_alignment_dir=alignment_dir, ) # Remove temporary FASTA file os.remove(tmp_fasta_path) return feature_dict def list_files_with_extensions(dir, extensions): return [f for f in os.listdir(dir) if f.endswith(extensions)] def main(args): # Create the output directory os.makedirs(args.output_dir, exist_ok=True) if args.config_preset.startswith("seq"): args.use_single_seq_mode = True config = model_config(args.config_preset, long_sequence_inference=args.long_sequence_inference) if(args.trace_model): if(not config.data.predict.fixed_size): raise ValueError( "Tracing requires that fixed_size mode be enabled in the config" ) template_featurizer = templates.TemplateHitFeaturizer( mmcif_dir=args.template_mmcif_dir, max_template_date=args.max_template_date, max_hits=config.data.predict.max_templates, kalign_binary_path=args.kalign_binary_path, release_dates_path=args.release_dates_path, obsolete_pdbs_path=args.obsolete_pdbs_path ) data_processor = data_pipeline.DataPipeline( template_featurizer=template_featurizer, ) output_dir_base = args.output_dir random_seed = args.data_random_seed if random_seed is None: random_seed = random.randrange(2**32) np.random.seed(random_seed) torch.manual_seed(random_seed + 1) feature_processor = feature_pipeline.FeaturePipeline(config.data) if not os.path.exists(output_dir_base): os.makedirs(output_dir_base) if args.use_precomputed_alignments is None: alignment_dir = os.path.join(output_dir_base, "alignments") else: alignment_dir = args.use_precomputed_alignments tag_list = [] seq_list = [] for fasta_file in list_files_with_extensions(args.fasta_dir, (".fasta", ".fa")): # Gather input sequences with open(os.path.join(args.fasta_dir, fasta_file), "r") as fp: data = fp.read() tags, seqs = parse_fasta(data) # assert len(tags) == len(set(tags)), "All FASTA tags must be unique" tag = '-'.join(tags) tag_list.append((tag, tags)) seq_list.append(seqs) seq_sort_fn = lambda target: sum([len(s) for s in target[1]]) sorted_targets = sorted(zip(tag_list, seq_list), key=seq_sort_fn) feature_dicts = {} model_generator = load_models_from_command_line( config, args.model_device, args.openfold_checkpoint_path, args.jax_param_path, args.output_dir) for model, output_directory in model_generator: cur_tracing_interval = 0 for (tag, tags), seqs in sorted_targets: output_name = f'{tag}_{args.config_preset}' if args.output_postfix is not None: output_name = f'{output_name}_{args.output_postfix}' # Does nothing if the alignments have already been computed precompute_alignments(tags, seqs, alignment_dir, args) feature_dict = feature_dicts.get(tag, None) if(feature_dict is None): feature_dict = generate_feature_dict( tags, seqs, alignment_dir, data_processor, args, ) if(args.trace_model): n = feature_dict["aatype"].shape[-2] rounded_seqlen = round_up_seqlen(n) feature_dict = pad_feature_dict_seq( feature_dict, rounded_seqlen, ) feature_dicts[tag] = feature_dict processed_feature_dict = feature_processor.process_features( feature_dict, mode='predict', ) processed_feature_dict = { k:torch.as_tensor(v, device=args.model_device) for k,v in processed_feature_dict.items() } if(args.trace_model): if(rounded_seqlen > cur_tracing_interval): logger.info( f"Tracing model at {rounded_seqlen} residues..." ) t = time.perf_counter() trace_model_(model, processed_feature_dict) tracing_time = time.perf_counter() - t logger.info( f"Tracing time: {tracing_time}" ) cur_tracing_interval = rounded_seqlen out = run_model(model, processed_feature_dict, tag, args.output_dir) # Toss out the recycling dimensions --- we don't need them anymore processed_feature_dict = tensor_tree_map( lambda x: np.array(x[..., -1].cpu()), processed_feature_dict ) out = tensor_tree_map(lambda x: np.array(x.cpu()), out) unrelaxed_protein = prep_output( out, processed_feature_dict, feature_dict, feature_processor, args.config_preset, args.multimer_ri_gap, args.subtract_plddt ) unrelaxed_file_suffix = "_unrelaxed.pdb" if args.cif_output: unrelaxed_file_suffix = "_unrelaxed.cif" unrelaxed_output_path = os.path.join( output_directory, f'{output_name}{unrelaxed_file_suffix}' ) with open(unrelaxed_output_path, 'w') as fp: if args.cif_output: fp.write(protein.to_modelcif(unrelaxed_protein)) else: fp.write(protein.to_pdb(unrelaxed_protein)) logger.info(f"Output written to {unrelaxed_output_path}...") if not args.skip_relaxation: # Relax the prediction. logger.info(f"Running relaxation on {unrelaxed_output_path}...") relax_protein(config, args.model_device, unrelaxed_protein, output_directory, output_name, args.cif_output) if args.save_outputs: output_dict_path = os.path.join( output_directory, f'{output_name}_output_dict.pkl' ) with open(output_dict_path, "wb") as fp: pickle.dump(out, fp, protocol=pickle.HIGHEST_PROTOCOL) logger.info(f"Model output written to {output_dict_path}...") if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "fasta_dir", type=str, help="Path to directory containing FASTA files, one sequence per file" ) parser.add_argument( "template_mmcif_dir", type=str, ) parser.add_argument( "--use_precomputed_alignments", type=str, default=None, help="""Path to alignment directory. If provided, alignment computation is skipped and database path arguments are ignored.""" ) parser.add_argument( "--use_single_seq_mode", action="store_true", default=False, help="""Use single sequence embeddings instead of MSAs.""" ) parser.add_argument( "--output_dir", type=str, default=os.getcwd(), help="""Name of the directory in which to output the prediction""", ) parser.add_argument( "--model_device", type=str, default="cpu", help="""Name of the device on which to run the model. Any valid torch device name is accepted (e.g. "cpu", "cuda:0")""" ) parser.add_argument( "--config_preset", type=str, default="model_1", help="""Name of a model config preset defined in openfold/config.py""" ) parser.add_argument( "--jax_param_path", type=str, default=None, help="""Path to JAX model parameters. If None, and openfold_checkpoint_path is also None, parameters are selected automatically according to the model name from openfold/resources/params""" ) parser.add_argument( "--openfold_checkpoint_path", type=str, default=None, help="""Path to OpenFold checkpoint. Can be either a DeepSpeed checkpoint directory or a .pt file""" ) parser.add_argument( "--save_outputs", action="store_true", default=False, help="Whether to save all model outputs, including embeddings, etc." ) parser.add_argument( "--cpus", type=int, default=4, help="""Number of CPUs with which to run alignment tools""" ) parser.add_argument( "--preset", type=str, default='full_dbs', choices=('reduced_dbs', 'full_dbs') ) parser.add_argument( "--output_postfix", type=str, default=None, help="""Postfix for output prediction filenames""" ) parser.add_argument( "--data_random_seed", type=str, default=None ) parser.add_argument( "--skip_relaxation", action="store_true", default=False, ) parser.add_argument( "--multimer_ri_gap", type=int, default=200, help="""Residue index offset between multiple sequences, if provided""" ) parser.add_argument( "--trace_model", action="store_true", default=False, help="""Whether to convert parts of each model to TorchScript. Significantly improves runtime at the cost of lengthy 'compilation.' Useful for large batch jobs.""" ) parser.add_argument( "--subtract_plddt", action="store_true", default=False, help=""""Whether to output (100 - pLDDT) in the B-factor column instead of the pLDDT itself""" ) parser.add_argument( "--long_sequence_inference", action="store_true", default=False, help="""enable options to reduce memory usage at the cost of speed, helps longer sequences fit into GPU memory, see the README for details""" ) parser.add_argument( "--cif_output", action="store_true", default=False, help="Output predicted models in ModelCIF format instead of PDB format (default)" ) add_data_args(parser) args = parser.parse_args() if(args.jax_param_path is None and args.openfold_checkpoint_path is None): args.jax_param_path = os.path.join( "openfold", "resources", "params", "params_" + args.config_preset + ".npz" ) if(args.model_device == "cpu" and torch.cuda.is_available()): logging.warning( """The model is being run on CPU. Consider specifying --model_device for better performance""" ) main(args) ================================================ FILE: vendor/openfold/scripts/activate_conda_env.sh ================================================ #!/bin/bash source scripts/vars.sh source lib/conda/etc/profile.d/conda.sh conda activate $ENV_NAME ================================================ FILE: vendor/openfold/scripts/alignment_db_scripts/create_alignment_db.py ================================================ import argparse import json import os def main(args): db_path = os.path.join(args.output_db_path, f"{args.output_db_name}.db") index_path = os.path.join( args.output_db_path, f"{args.output_db_name}.index" ) db_fp = open(db_path, "wb") index = {} db_offset = 0 for chain_alignment_dir in os.listdir(args.alignment_dir): cad_path = os.path.join(args.alignment_dir, chain_alignment_dir) for f in os.listdir(cad_path): f_path = os.path.join(cad_path, f) with open(f_path, "rb") as fp: file_bytes = fp.read() l = len(file_bytes) file_list = index.setdefault(chain_alignment_dir, []) file_list.append((f, db_offset, l)) db_fp.write(file_bytes) db_offset += l db_fp.close() with open(index_path, "w") as fp: json.dump(index, fp) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "alignment_dir", type=str, help="""Path to precomputed alignment directory, with one subdirectory per chain.""" ) parser.add_argument("output_db_path", type=str) parser.add_argument("output_db_name", type=str) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/alignment_db_scripts/unify_alignment_db_indices.py ================================================ import argparse import json import os """ Unifies databases created with create_alignment_db.py """ def main(args): super_index = {} for f in os.listdir(args.alignment_db_dir): if(not os.path.splitext(f)[-1] == ".index"): continue with open(os.path.join(args.alignment_db_dir, f), "r") as fp: index = json.load(fp) db_name = f"{os.path.splitext(f)[0]}.db" for k in index: super_index[k] = { "db": db_name, "files": index[k], } with open(os.path.join(args.output_dir, "super.index"), "w") as fp: json.dump(super_index, fp) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument("alignment_db_dir", type=str, help="Path to directory containing alignment_dbs") parser.add_argument("output_dir", type=str, help="Path in which to output super index") args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/build_deepspeed_config.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import argparse import json parser = argparse.ArgumentParser(description='''Outputs a DeepSpeed configuration file to stdout''') parser.add_argument("--gradient_clipping", type=float, default=None, help="Value of gradient clipping") p = parser.add_argument_group("Optimizer") p.add_argument("--optimizer", default=None, help='''Choice of optimizer. Choose between "Adam" or "OneBitAdam"''') p.add_argument("--lr", dest="lr", type=float, default=1e-3, help="The learning rate") p.add_argument("--freeze_step", type=int, default=100, help='''Number of warm-up steps before 1-bit compression activates. Applies only when --optimizer is OneBitAdam''') p.add_argument("--cuda_aware", action="store_true", default=False, help='''Indicates that the underlying MPI library supports CUDA-Aware communication. Applies only when --optimizer is OneBitAdam''') p.add_argument("--comm_backend_name", type=str, default="nccl", help='''Communication implementation for OneBitAdam. Choose from nccl and mpi''') p.add_argument("--eps", type=float, default=1e-8, help="Adam epsilon parameter") sched = parser.add_argument_group("Scheduler") sched.add_argument( "--scheduler", type=str, default=None, help='''The LR scheduler. Choose from "LRRangeTest", "OneCycle", WarmupLR, and WarmupDecayLR". Documentation for each can be found here: deepspeed.readthedocs.io/en/latest/schedulers.html''' ) range_test = sched.add_argument_group("LRRangeTest") range_test.add_argument( "--lr_range_test_min_lr", type=float, default=1e-04 ) range_test.add_argument( "--lr_range_test_step_size", type=int, default=2000 ) range_test.add_argument( "--lr_range_test_step_rate", type=float, default=1.0 ) range_test.add_argument( "--lr_range_test_staircase", type=bool, default=False ) cycle = sched.add_argument_group("OneCycle") cycle.add_argument( "--cycle_min_lr", type=float, default=1e-06 ) cycle.add_argument( "--cycle_max_lr", type=float, default=1e-03 ) cycle.add_argument( "--cycle_decay_lr_rate", type=float, default=0 ) cycle.add_argument( "--cycle_first_step_size", type=int, default=2000 ) cycle.add_argument( "--cycle_second_step_size", type=int, default=None ) cycle.add_argument( "--cycle_first_stair_count", type=int, default=0 ) cycle.add_argument( "--cycle_second_stair_count", type=int, default=0 ) cycle.add_argument( "--cycle_decay_step_size", type=int, default=0 ) cycle.add_argument( "--cycle_momentum", type=bool, default=True ) cycle.add_argument( "--cycle_min_mom", type=float, default=0.8 ) cycle.add_argument( "--cycle_max_mom", type=float, default=0.9 ) cycle.add_argument( "--cycle_decay_mom_rate", type=float, default=0 ) warmup = sched.add_argument_group("WarmupLR") warmup.add_argument( "--warmup_min_lr", type=float, default=0. ) warmup.add_argument( "--warmup_max_lr", type=float, default=0.001 ) warmup.add_argument( "--warmup_num_steps", type=int, default=1000 ) warmup_decay = sched.add_argument_group("WarmupDecayLR") warmup_decay.add_argument( "--warmup_decay_total_num_steps", type=int, default=1e05 ) warmup_decay.add_argument( "--warmup_decay_min_lr", type=float, default=0. ) warmup_decay.add_argument( "--warmup_decay_max_lr", type=float, default=0.001 ) warmup_decay.add_argument( "--warmup_decay_num_steps", type=int, default=1000 ) p = parser.add_argument_group("Half-precision training (fp16)") p.add_argument("--fp16", dest="fp16", action="store_true", default=False, help="""Whether to train in 16-bit/mixed-precision mode. Mutually exclusive with --amp""") p = parser.add_argument_group("Half-precision training (bfloat16)") p.add_argument("--bfloat16", dest="bfloat16", action="store_true", default=False, help="""Whether to train in 16-bit bfloat16 mode. Mutually exclusive with --amp and --fp16. Requires hardware support""") p = parser.add_argument_group("AMP") p.add_argument("--amp", action="store_true", default=False, help="""Whether to enable AMP training. Mutually exclusive with --fp16""") p.add_argument("--opt_level", action="store_true", default=False, help="""AMP optimization level. One of "O0", "O1", "O2", or "O3".""") p = parser.add_argument_group("Activation checkpointing") p.add_argument("--partition_activations", action="store_true", default=False, help="Activation checkpointing") p.add_argument("--cpu_checkpointing", action="store_true", default=False, help="Offload activation checkpoints to CPU") p.add_argument("--profile", action="store_true", default=False, help="Whether to profile activation checkpointing") p = parser.add_argument_group("ZeRO optimization") p.add_argument("--zero_stage", type=int, default=2, help="ZeRO optimizer stage") p.add_argument("--allgather_partitions", action="store_true", default=False, help='''Allgather collective vs. broadcast collectives for parameter gathering''') p.add_argument("--allgather_bucket_size", type=int, default=1e9, help="Number of elements allgathered at one time") p.add_argument("--overlap_comm", action="store_true", default=False, help='''Whether to overlap gradient reduction and backward pass''') p.add_argument("--reduce_scatter", action="store_true", default=False, help="Use reduce to average gradients") p.add_argument("--reduce_bucket_size", type=int, default=1e9, help="Number of elements reduced at one time") p.add_argument("--offload_optimizer", action="store_true", default=False, help='''Offload optimizer state to CPU. Valid only when --stage is 2 or 3''') p.add_argument("--pin_memory", action="store_true", default=False, help="Speeds up offloaded throughput at the cost of memory") p = parser.add_argument_group("Flops profiler") p.add_argument("--flops_profiler", action="store_true", default=False, help="Whether to enable the DeepSpeed Flops Profiler") p.add_argument("--profile_step", type=int, default=1, help='''The global training step at which to run the flops profiler. Has no effect unless --flops_profiler is given''') p.add_argument("--module_depth", type=int, default=-1, help='''Depth to which aggregated module info is printed. Has no effect unless --flops_profiler is given''') p.add_argument("--top_modules", type=int, default=3, help='''Number of top modules to print in the aggregated profile. Has no effect unless --flops_profiler is given''') p.add_argument("--detailed_flops_profile", action="store_true", default=False, help='''Whether the flops_profiler should be detailed. Has no effect unless --flops_profiler is given''') args = parser.parse_args() d = {} # Optimizer settings if(args.optimizer is not None): optimizer = {} optimizer["type"] = args.optimizer params = {} params["lr"] = args.lr params["eps"] = args.eps if(args.optimizer == "OneBitAdam"): params["freeze_step"] = args.freeze_step params["cuda_aware"] = args.cuda_aware params["comm_backend_name"] = args.comm_backend_name optimizer["params"] = params d["optimizer"] = optimizer # LR scheduler if(args.scheduler is not None): scheduler = {} scheduler["type"] = args.scheduler params = {} if(args.scheduler == "LRRangeTest"): params["lr_range_test_min_lr"] = args.lr_range_test_min_lr params["lr_range_test_step_size"] = args.lr_range_test_step_size params["lr_range_test_step_rate"] = args.lr_range_test_step_rate params["lr_range_test_staircase"] = args.lr_range_test_staircase elif(args.scheduler == "OneCycle"): params["cycle_min_lr"] = args.cycle_min_lr params["cycle_max_lr"] = args.cycle_max_lr params["decay_lr_rate"] = args.cycle_decay_lr_rate params["cycle_first_step_size"] = args.cycle_first_step_size params["cycle_second_step_size"] = args.cycle_second_step_size params["cycle_first_stair_count"] = args.cycle_first_stair_count params["cycle_second_stair_count"] = args.cycle_second_stair_count params["cycle_momentum"] = args.cycle_momentum params["cycle_min_mom"] = args.cycle_min_mom params["cycle_max_mom"] = args.cycle_max_mom params["decay_mom_rate"] = args.cycle_decay_mom_rate elif(args.scheduler == "WarmupLR"): params["warmup_min_lr"] = args.warmup_min_lr params["warmup_max_lr"] = args.warmup_max_lr params["warmup_num_steps"] = args.warmup_num_steps elif(args.scheduler == "WarmupDecayLR"): params["warmup_min_lr"] = args.warmup_decay_min_lr params["warmup_max_lr"] = args.warmup_decay_max_lr params["warmup_num_steps"] = args.warmup_decay_num_steps params["total_num_steps"] = args.warmup_decay_total_num_steps else: raise ValueError("Invalid scheduler") scheduler["params"] = params d["scheduler"] = scheduler # 16-bit training if(sum([args.amp, args.fp16, args.bfloat16]) > 1): raise ValueError("Only one of --fp16, --amp, or --bfloat16 can be enabled") if(args.amp): amp = {} amp["enabled"] = True amp["pin_memory"] = args.opt_level d["amp"] = amp elif(args.fp16): fp16 = {} fp16["enabled"] = args.fp16 d["fp16"] = fp16 elif(args.bfloat16): bfloat16 = {} bfloat16["enabled"] = args.bfloat16 d["bfloat16"] = bfloat16 # Activation checkpointing ac = {} ac["partition_activations"] = args.partition_activations ac["cpu_checkpointing"] = args.cpu_checkpointing ac["profile"] = args.profile d["activation_checkpointing"] = ac # ZeRO optimization zo = {} zo["stage"] = args.zero_stage zo["allgather_partitions"] = args.allgather_partitions zo["allgather_bucket_size"] = args.allgather_bucket_size zo["reduce_bucket_size"] = args.reduce_bucket_size zo["overlap_comm"] = args.overlap_comm zo["reduce_scatter"] = args.reduce_scatter if(args.offload_optimizer): oo = {} oo["device"] = "cpu" oo["pin_memory"] = args.pin_memory zo["offload_optimizer"] = oo d["zero_optimization"] = zo # Flops Profiler flops_profiler = {} flops_profiler["enabled"] = args.flops_profiler flops_profiler["profile_step"] = args.profile_step flops_profiler["module_depth"] = args.module_depth flops_profiler["top_modules"] = args.top_modules flops_profiler["detailed"] = args.detailed_flops_profile d ["flops_profiler"] = flops_profiler if(args.gradient_clipping): d["gradient_clipping"] = args.gradient_clipping print(json.dumps(d, indent=2)) ================================================ FILE: vendor/openfold/scripts/colabfold_search.sh ================================================ #!/bin/bash -e # Copied from colabfold.mmseqs.com MMSEQS="$1" QUERY="$2" DBBASE="$3" BASE="$4" DB1="$5" DB2="$6" DB3="$7" USE_ENV="${8:-1}" USE_TEMPLATES="${9:-0}" FILTER="${10:-1}" INDEX=${11:-1} DB_LOAD_MODE="${12:-2}" EXPAND_EVAL=inf ALIGN_EVAL=10 DIFF=3000 QSC=-20.0 MAX_ACCEPT=1000000 if [ "${FILTER}" = "1" ]; then # 0.1 was not used in benchmarks due to POSIX shell bug in line above # EXPAND_EVAL=0.1 ALIGN_EVAL=10 QSC=0.8 MAX_ACCEPT=100000 fi if [ "${INDEX}" = "1" ]; then SEQ=".idx" ALN=".idx" IDX=".idx" else SEQ="_seq" ALN="_aln" IDX="" export MMSEQS_IGNORE_INDEX=1 fi export MMSEQS_CALL_DEPTH=1 SEARCH_PARAM="--num-iterations 3 --db-load-mode ${DB_LOAD_MODE} -a -s 8 -e 0.1 --max-seqs 10000" FILTER_PARAM="--filter-msa ${FILTER} --filter-min-enable 1000 --diff ${DIFF} --qid 0.0,0.2,0.4,0.6,0.8,1.0 --qsc 0 --max-seq-id 0.95" EXPAND_PARAM="--expansion-mode 0 -e ${EXPAND_EVAL} --expand-filter-clusters ${FILTER} --max-seq-id 0.95" mkdir -p "${BASE}" "${MMSEQS}" createdb "${QUERY}" "${BASE}/qdb" "${MMSEQS}" search "${BASE}/qdb" "${DBBASE}/${DB1}" "${BASE}/res" "${BASE}/tmp" $SEARCH_PARAM "${MMSEQS}" expandaln "${BASE}/qdb" "${DBBASE}/${DB1}${SEQ}" "${BASE}/res" "${DBBASE}/${DB1}${ALN}" "${BASE}/res_exp" --db-load-mode ${DB_LOAD_MODE} ${EXPAND_PARAM} "${MMSEQS}" mvdb "${BASE}/tmp/latest/profile_1" "${BASE}/prof_res" "${MMSEQS}" lndb "${BASE}/qdb_h" "${BASE}/prof_res_h" "${MMSEQS}" align "${BASE}/prof_res" "${DBBASE}/${DB1}${SEQ}" "${BASE}/res_exp" "${BASE}/res_exp_realign" --db-load-mode ${DB_LOAD_MODE} -e ${ALIGN_EVAL} --max-accept ${MAX_ACCEPT} --alt-ali 10 -a "${MMSEQS}" filterresult "${BASE}/qdb" "${DBBASE}/${DB1}${SEQ}" "${BASE}/res_exp_realign" "${BASE}/res_exp_realign_filter" --db-load-mode ${DB_LOAD_MODE} --qid 0 --qsc $QSC --diff 0 --max-seq-id 1.0 --filter-min-enable 100 "${MMSEQS}" result2msa "${BASE}/qdb" "${DBBASE}/${DB1}${SEQ}" "${BASE}/res_exp_realign_filter" "${BASE}/uniref.a3m" --msa-format-mode 6 --db-load-mode ${DB_LOAD_MODE} ${FILTER_PARAM} "${MMSEQS}" rmdb "${BASE}/res_exp_realign" "${MMSEQS}" rmdb "${BASE}/res_exp" "${MMSEQS}" rmdb "${BASE}/res" "${MMSEQS}" rmdb "${BASE}/res_exp_realign_filter" if [ "${USE_TEMPLATES}" = "1" ]; then "${MMSEQS}" search "${BASE}/prof_res" "${DBBASE}/${DB2}" "${BASE}/res_pdb" "${BASE}/tmp" --db-load-mode ${DB_LOAD_MODE} -s 7.5 -a -e 0.1 "${MMSEQS}" convertalis "${BASE}/prof_res" "${DBBASE}/${DB2}${IDX}" "${BASE}/res_pdb" "${BASE}/${DB2}.m8" --format-output query,target,fident,alnlen,mismatch,gapopen,qstart,qend,tstart,tend,evalue,bits,cigar --db-load-mode ${DB_LOAD_MODE} "${MMSEQS}" rmdb "${BASE}/res_pdb" fi if [ "${USE_ENV}" = "1" ]; then "${MMSEQS}" search "${BASE}/prof_res" "${DBBASE}/${DB3}" "${BASE}/res_env" "${BASE}/tmp" $SEARCH_PARAM "${MMSEQS}" expandaln "${BASE}/prof_res" "${DBBASE}/${DB3}${SEQ}" "${BASE}/res_env" "${DBBASE}/${DB3}${ALN}" "${BASE}/res_env_exp" -e ${EXPAND_EVAL} --expansion-mode 0 --db-load-mode ${DB_LOAD_MODE} "${MMSEQS}" align "${BASE}/tmp/latest/profile_1" "${DBBASE}/${DB3}${SEQ}" "${BASE}/res_env_exp" "${BASE}/res_env_exp_realign" --db-load-mode ${DB_LOAD_MODE} -e ${ALIGN_EVAL} --max-accept ${MAX_ACCEPT} --alt-ali 10 -a "${MMSEQS}" filterresult "${BASE}/qdb" "${DBBASE}/${DB3}${SEQ}" "${BASE}/res_env_exp_realign" "${BASE}/res_env_exp_realign_filter" --db-load-mode ${DB_LOAD_MODE} --qid 0 --qsc $QSC --diff 0 --max-seq-id 1.0 --filter-min-enable 100 "${MMSEQS}" result2msa "${BASE}/qdb" "${DBBASE}/${DB3}${SEQ}" "${BASE}/res_env_exp_realign_filter" "${BASE}/bfd.mgnify30.metaeuk30.smag30.a3m" --msa-format-mode 6 --db-load-mode ${DB_LOAD_MODE} ${FILTER_PARAM} "${MMSEQS}" rmdb "${BASE}/res_env_exp_realign_filter" "${MMSEQS}" rmdb "${BASE}/res_env_exp_realign" "${MMSEQS}" rmdb "${BASE}/res_env_exp" "${MMSEQS}" rmdb "${BASE}/res_env" fi "${MMSEQS}" rmdb "${BASE}/qdb" "${MMSEQS}" rmdb "${BASE}/qdb_h" "${MMSEQS}" rmdb "${BASE}/res" rm -f -- "${BASE}/prof_res"* rm -rf -- "${BASE}/tmp" ================================================ FILE: vendor/openfold/scripts/convert_of_weights_to_jax.py ================================================ # Copyright 2022 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Converts OpenFold .pt checkpoints into AlphaFold .npz ones, which can then be # used to run inference using DeepMind's JAX code. import argparse import numpy as np import torch from openfold.config import model_config from openfold.model.model import AlphaFold from openfold.utils.import_weights import ( Param, ParamType, generate_translation_dict, process_translation_dict, ) from openfold.utils.tensor_utils import tree_map def reshape_fn(of_param, af_weight): transformations = { ParamType.LinearWeight: lambda w: w.transpose(-1, -2), ParamType.LinearWeightMHA: lambda w: w.transpose(-1, -2).reshape(af_weight.shape), ParamType.LinearMHAOutputWeight: lambda w: w.transpose(-1, -2).reshape(af_weight.shape), ParamType.LinearBiasMHA: lambda w: w.reshape(af_weight.shape), ParamType.LinearWeightOPM: lambda w: w.transpose(-1, -2).reshape(af_weight.shape), ParamType.Other: lambda w: w, } if(of_param.stacked): of_weight = torch.stack([torch.Tensor(p) for p in of_param.param]) else: of_weight = torch.Tensor(of_param.param) return transformations[of_param.param_type](of_weight) def transfer(of_dict, af_weight_template): for k in of_dict: if(type(of_dict[k]) == dict): transfer(of_dict[k], af_weight_template[k]) else: reshaped = reshape_fn(of_dict[k], af_weight_template[k]) reshaped = reshaped.detach().numpy() np.copyto(af_weight_template[k], reshaped) def main(args): d = torch.load(args.of_pt_path) config = model_config(args.config_preset) model = AlphaFold(config) model.load_state_dict(d) translation = generate_translation_dict(model, args.config_preset) translation = process_translation_dict(translation) af_weight_template = np.load(args.template_npz_path) af_weight_template = {k:v for k,v in af_weight_template.items() if k in translation} zero = lambda n: n * 0 af_weight_template = tree_map(zero, af_weight_template, np.ndarray) transfer(translation, af_weight_template) np.savez(args.out_path, **af_weight_template) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "of_pt_path", type=str, help="Path to OpenFold .pt checkpoint file" ) parser.add_argument( "config_preset", type=str, help="The corresponding config preset" ) parser.add_argument( "out_path", type=str, help="Path for output .npz file" ) parser.add_argument( "--template_npz_path", type=str, default="openfold/resources/params/params_model_1_ptm.npz", help="""Path to an AlphaFold checkpoint w/ a superset of the OF checkpoint's parameters. params_model_1_ptm.npz always works. """ ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/data_dir_to_fasta.py ================================================ import argparse import logging import os from openfold.data import mmcif_parsing from openfold.np import protein, residue_constants def main(args): fasta = [] for fname in os.listdir(args.data_dir): basename, ext = os.path.splitext(fname) basename = basename.upper() fpath = os.path.join(args.data_dir, fname) if(ext == ".cif"): with open(fpath, 'r') as fp: mmcif_str = fp.read() mmcif = mmcif_parsing.parse( file_id=basename, mmcif_string=mmcif_str ) if(mmcif.mmcif_object is None): logging.warning(f'Failed to parse {fname}...') if(args.raise_errors): raise list(mmcif.errors.values())[0] else: continue mmcif = mmcif.mmcif_object for chain, seq in mmcif.chain_to_seqres.items(): chain_id = '_'.join([basename, chain]) fasta.append(f">{chain_id}") fasta.append(seq) elif(ext == ".core"): with open(fpath, 'r') as fp: core_str = fp.read() core_protein = protein.from_proteinnet_string(core_str) aatype = core_protein.aatype seq = ''.join([ residue_constants.restypes_with_x[aatype[i]] for i in range(len(aatype)) ]) fasta.append(f">{basename}") fasta.append(seq) with open(args.output_path, "w") as fp: fp.write('\n'.join(fasta)) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "data_dir", type=str, help="Path to a directory containing mmCIF or .core files" ) parser.add_argument( "output_path", type=str, help="Path to output FASTA file" ) parser.add_argument( "--raise_errors", type=bool, default=False, help="Whether to crash on parsing errors" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/deactivate_conda_env.sh ================================================ #!/bin/bash conda deactivate ================================================ FILE: vendor/openfold/scripts/download_alphafold_dbs.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips all required data for AlphaFold. # # Usage: bash download_all_data.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" DOWNLOAD_MODE="${2:-full_dbs}" # Default mode to full_dbs. if [[ "${DOWNLOAD_MODE}" != full_dbs && "${DOWNLOAD_MODE}" != reduced_dbs ]] then echo "DOWNLOAD_MODE ${DOWNLOAD_MODE} not recognized." exit 1 fi SCRIPT_DIR="$(dirname "$(realpath "$0")")" if [[ "${DOWNLOAD_MODE}" = full_dbs ]] ; then echo "Downloading BFD..." bash "${SCRIPT_DIR}/download_bfd.sh" "${DOWNLOAD_DIR}" else echo "Downloading Small BFD..." bash "${SCRIPT_DIR}/download_small_bfd.sh" "${DOWNLOAD_DIR}" fi echo "Downloading MGnify..." bash "${SCRIPT_DIR}/download_mgnify.sh" "${DOWNLOAD_DIR}" echo "Downloading PDB70..." bash "${SCRIPT_DIR}/download_pdb70.sh" "${DOWNLOAD_DIR}" echo "Downloading PDB mmCIF files..." bash "${SCRIPT_DIR}/download_pdb_mmcif.sh" "${DOWNLOAD_DIR}" echo "Downloading Uniclust30..." bash "${SCRIPT_DIR}/download_uniclust30.sh" "${DOWNLOAD_DIR}" echo "Downloading Uniref90..." bash "${SCRIPT_DIR}/download_uniref90.sh" "${DOWNLOAD_DIR}" echo "All data downloaded." ================================================ FILE: vendor/openfold/scripts/download_alphafold_params.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the AlphaFold parameters. # # Usage: bash download_alphafold_params.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/params" SOURCE_URL="https://storage.googleapis.com/alphafold/alphafold_params_2022-01-19.tar" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" tar --extract --verbose --file="${ROOT_DIR}/${BASENAME}" \ --directory="${ROOT_DIR}" --preserve-permissions rm "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_bfd.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the BFD database for AlphaFold. # # Usage: bash download_bfd.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/bfd" # Mirror of: # https://bfd.mmseqs.com/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz. SOURCE_URL="https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" tar --extract --verbose --file="${ROOT_DIR}/${BASENAME}" \ --directory="${ROOT_DIR}" rm "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_cameo.py ================================================ #!/usr/bin/env python # -*- coding: utf-8 -*- import argparse import json import os import re import requests from openfold.data import mmcif_parsing VALID_PERIODS = [ "1-year", "6-months", "3-months", "1-month", "1-week", ] def generate_url(period, end_date): return '/'.join([ "https://www.cameo3d.org/", "modeling", "targets", period, "ajax", f"?to_date={end_date}", ]) def main(args): data_dir_path = os.path.join(args.output_dir, "data_dir") fasta_dir_path = os.path.join(args.output_dir, "fasta_dir") os.makedirs(data_dir_path, exist_ok=True) os.makedirs(fasta_dir_path, exist_ok=True) url = generate_url(args.period, args.end_date) raw_data = requests.get(url).text parsed_data = json.loads(raw_data) chain_data = parsed_data["aaData"] for chain in chain_data: pdb_id = chain["pdbid"] chain_id = chain["pdbid_chain"] pdb_url = f"https://files.rcsb.org/view/{pdb_id.upper()}.cif" pdb_file = requests.get(pdb_url).text parsed_cif = mmcif_parsing.parse( file_id=pdb_id, mmcif_string=pdb_file ) mmcif_object = parsed_cif.mmcif_object if(mmcif_object is None): raise list(parsed_cif.errors.values())[0] seq = mmcif_object.chain_to_seqres[chain_id] if(args.max_seqlen > 0 and len(seq) > args.max_seqlen): continue fasta_file = '\n'.join([ f">{pdb_id}_{chain_id}", seq, ]) fasta_filename = f"{pdb_id}_{chain_id}.fasta" with open(os.path.join(fasta_dir_path, fasta_filename), "w") as fp: fp.write(fasta_file) cif_filename = f"{pdb_id}.cif" with open(os.path.join(data_dir_path, cif_filename), "w") as fp: fp.write(pdb_file) if __name__ == '__main__': parser = argparse.ArgumentParser() parser.add_argument( "period", type=str, help=f"""The length of the period from which to draw CAMEO proteins. Choose from {VALID_PERIODS}""" ) parser.add_argument( "end_date", type=str, help="The date marking the end of the period (YYYY-MM-DD)" ) parser.add_argument("output_dir") parser.add_argument( "--max_seqlen", type=int, default=700, help="The maximum length in residues of downloaded proteins (or -1)" ) args = parser.parse_args() if(args.period not in VALID_PERIODS): raise ValueError(f"Invalid period. Choose from {VALID_PERIODS}") date_regex = re.compile("^[0-9]{4}-[0-9]{2}-[0-9]{2}$") if(not date_regex.match(args.end_date)): raise ValueError(f"Invalid end_date: {args.end_date}. Use YYYY-MM-DD format") main(args) ================================================ FILE: vendor/openfold/scripts/download_colabfold_envdb.sh ================================================ #!/bin/bash # # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the BFD database for AlphaFold. # # Usage: bash download_bfd.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}" SOURCE_URL="http://wwwuser.gwdg.de/~compbiol/colabfold/colabfold_envdb_202108.tar.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" -x 4 --check-certificate=false ================================================ FILE: vendor/openfold/scripts/download_mgnify.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the MGnify database for AlphaFold. # # Usage: bash download_mgnify.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/mgnify" # Mirror of: # ftp://ftp.ebi.ac.uk/pub/databases/metagenomics/peptide_database/2018_12/mgy_clusters.fa.gz SOURCE_URL="https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" gunzip "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_mmseqs_dbs.sh ================================================ #!/bin/bash # # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips all required data for AlphaFold. # # Usage: bash download_all_data.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" DOWNLOAD_MODE="${2:-full_dbs}" # Default mode to full_dbs. if [[ "${DOWNLOAD_MODE}" != full_dbs && "${DOWNLOAD_MODE}" != reduced_dbs ]] then echo "DOWNLOAD_MODE ${DOWNLOAD_MODE} not recognized." exit 1 fi SCRIPT_DIR="$(dirname "$(realpath "$0")")" echo "Downloading Uniref30..." bash "${SCRIPT_DIR}/download_uniref30.sh" "${DOWNLOAD_DIR}" echo "Downloading ColabFold's environmental database..." bash "${SCRIPT_DIR}/download_colabfold_envdb.sh" "${DOWNLOAD_DIR}" echo "All data downloaded." ================================================ FILE: vendor/openfold/scripts/download_openfold_params.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads OpenFold parameters. # # Usage: bash download_openfold_params_huggingface.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aws &> /dev/null ; then echo "Error: aws could not be found. Please install aws." exit 1 fi DOWNLOAD_DIR="${1}/openfold_params" mkdir -p "${DOWNLOAD_DIR}" aws s3 cp --no-sign-request --region us-east-1 s3://openfold/openfold_params/ "${DOWNLOAD_DIR}" --recursive ================================================ FILE: vendor/openfold/scripts/download_openfold_params_gdrive.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips OpenFold parameters from Google Drive. Alternative to # the HuggingFace version. # # Usage: bash download_openfold_params_gdrive.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi FILE_ID="1GVzZA2nbdBbz6TKydvzquhfELJ3Movnb" FILENAME="openfold_params_07_22.tar.gz" download_from_gdrive() { FILE_ID="$1" OUT_DIR="$2" MSG=$(wget \ --quiet \ --save-cookies /tmp/cookies_$$.txt \ --keep-session-cookies \ --no-check-certificate \ "https://docs.google.com/uc?export=download&id=${FILE_ID}" \ -O- \ ) CONFIRM=$(echo $MSG | sed -rn "s/.*confirm=([0-9A-Za-z_]+).*/\1\n/p") FILENAME=$(echo $MSG | sed -e "s/.*\(.*\)<\/a> (.*/\1/") FILEPATH="${OUT_DIR}/${FILENAME}" wget \ --quiet \ --load-cookies /tmp/cookies_$$.txt \ "https://docs.google.com/uc?export=download&confirm=${CONFIRM}&id=${FILE_ID}" \ -O "${FILEPATH}" rm /tmp/cookies_$$.txt echo $FILEPATH } DOWNLOAD_DIR="$1" mkdir -p "${DOWNLOAD_DIR}" DOWNLOAD_PATH=$(download_from_gdrive $FILE_ID "${DOWNLOAD_DIR}") DOWNLOAD_FILENAME=$(basename "${DOWNLOAD_PATH}") if [[ $FILENAME != $DOWNLOAD_FILENAME ]]; then echo "Error: Downloaded filename ${DOWNLOAD_FILENAME} does not match expected filename ${FILENAME}" rm "${DOWNLOAD_PATH}" exit fi tar --extract --verbose --file="${DOWNLOAD_PATH}" \ --directory="${DOWNLOAD_DIR}" --preserve-permissions rm "${DOWNLOAD_PATH}" ================================================ FILE: vendor/openfold/scripts/download_openfold_params_huggingface.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips OpenFold parameters. # # Usage: bash download_openfold_params_huggingface.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi URL="https://huggingface.co/nz/OpenFold" DOWNLOAD_DIR="${1}/openfold_params/" mkdir -p "${DOWNLOAD_DIR}" git clone $URL "${DOWNLOAD_DIR}" rm -rf "${DOWNLOAD_DIR}/.git" ================================================ FILE: vendor/openfold/scripts/download_pdb70.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the PDB70 database for AlphaFold. # # Usage: bash download_pdb70.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/pdb70" SOURCE_URL="http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" --check-certificate=false tar --extract --verbose --file="${ROOT_DIR}/${BASENAME}" \ --directory="${ROOT_DIR}" rm "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_pdb_mmcif.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads, unzips and flattens the PDB database for AlphaFold. # # Usage: bash download_pdb_mmcif.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi if ! command -v rsync &> /dev/null ; then echo "Error: rsync could not be found. Please install rsync." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/pdb_mmcif" RAW_DIR="${ROOT_DIR}/raw" MMCIF_DIR="${ROOT_DIR}/mmcif_files" echo "Running rsync to fetch all mmCIF files (note that the rsync progress estimate might be inaccurate)..." mkdir --parents "${RAW_DIR}" rsync --recursive --links --perms --times --compress --info=progress2 --delete --port=33444 \ rsync.rcsb.org::ftp_data/structures/divided/mmCIF/ \ "${RAW_DIR}" echo "Unzipping all mmCIF files..." find "${RAW_DIR}/" -type f -iname "*.gz" -exec gunzip {} + echo "Flattening all mmCIF files..." mkdir --parents "${MMCIF_DIR}" find "${RAW_DIR}" -type d -empty -delete # Delete empty directories. for subdir in "${RAW_DIR}"/*; do mv "${subdir}/"*.cif "${MMCIF_DIR}" done # Delete empty download directory structure. find "${RAW_DIR}" -type d -empty -delete aria2c "ftp://ftp.wwpdb.org/pub/pdb/data/status/obsolete.dat" --dir="${ROOT_DIR}" ================================================ FILE: vendor/openfold/scripts/download_roda_pdbs.sh ================================================ #!/bin/bash # # Copyright 2021 AlQuraishi Laboratories # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads .cif files matching the RODA alignments. Outputs a list of # RODA alignments for which .cif files could not be found.. if [[ $# != 2 ]]; then echo "usage: ./download_roda_pdbs.sh " exit 1 fi OUT_DIR=$1 RODA_ALIGNMENT_DIR=$2 if [[ -d $OUT_DIR ]]; then echo "${OUT_DIR} already exists. Download failed..." exit 1 fi SERVER=snapshotrsync.rcsb.org # RCSB server name PORT=873 # port RCSB server is using rsync -rlpt -v -z --delete --port=$PORT $SERVER::20220103/pub/pdb/data/structures/divided/mmCIF/ $OUT_DIR 2>&1 > /dev/null for f in $(find $OUT_DIR -mindepth 2 -type f); do mv $f $OUT_DIR BASENAME=$(basename $f) gunzip "${OUT_DIR}/${BASENAME}" done find $OUT_DIR -mindepth 1 -type d,l -delete for d in $(find $RODA_ALIGNMENT_DIR -mindepth 1 -maxdepth 1 -type d); do BASENAME=$(basename $d) PDB_ID=$(echo $BASENAME | cut -d '_' -f 1) CIF_PATH="${OUT_DIR}/${PDB_ID}.cif" if [[ ! -f $CIF_PATH ]]; then echo $d fi done ================================================ FILE: vendor/openfold/scripts/download_small_bfd.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the Small BFD database for AlphaFold. # # Usage: bash download_small_bfd.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/small_bfd" SOURCE_URL="https://storage.googleapis.com/alphafold-databases/reduced_dbs/bfd-first_non_consensus_sequences.fasta.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" pushd "${ROOT_DIR}" gunzip "${ROOT_DIR}/${BASENAME}" popd ================================================ FILE: vendor/openfold/scripts/download_uniclust30.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the Uniclust30 database for AlphaFold. # # Usage: bash download_uniclust30.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/uniclust30" # Mirror of: # http://wwwuser.gwdg.de/~compbiol/uniclust/2018_08/uniclust30_2018_08_hhsuite.tar.gz SOURCE_URL="https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" tar --extract --verbose --file="${ROOT_DIR}/${BASENAME}" \ --directory="${ROOT_DIR}" rm "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_uniref30.sh ================================================ #!/bin/bash # # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the BFD database for AlphaFold. # # Usage: bash download_bfd.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}" SOURCE_URL="http://wwwuser.gwdg.de/~compbiol/colabfold/uniref30_2103.tar.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" -x 4 --check-certificate=false gunzip "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/download_uniref90.sh ================================================ #!/bin/bash # # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips the UniRef90 database for AlphaFold. # # Usage: bash download_uniref90.sh /path/to/download/directory set -e if [[ $# -eq 0 ]]; then echo "Error: download directory must be provided as an input argument." exit 1 fi if ! command -v aria2c &> /dev/null ; then echo "Error: aria2c could not be found. Please install aria2c (sudo apt install aria2)." exit 1 fi DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/uniref90" SOURCE_URL="ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz" BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}" aria2c "${SOURCE_URL}" --dir="${ROOT_DIR}" gunzip "${ROOT_DIR}/${BASENAME}" ================================================ FILE: vendor/openfold/scripts/flatten_roda.sh ================================================ #!/usr/bin/env sh # # Flattens a downloaded RODA database into the format expected by OpenFold # Args: # roda_dir: # The path to the database you want to flatten. E.g. "roda/pdb" # or "roda/uniclust30". Note that, to save space, this script # will empty this directory. # output_dir: # The directory in which to construct the reformatted data if [[ $# != 2 ]]; then echo "usage: ./flatten_roda.sh " exit 1 fi RODA_DIR=$1 OUTPUT_DIR=$2 DATA_DIR="${OUTPUT_DIR}/data" ALIGNMENT_DIR="${OUTPUT_DIR}/alignments" mkdir -p "${DATA_DIR}" mkdir -p "${ALIGNMENT_DIR}" for chain_dir in $(ls "${RODA_DIR}"); do CHAIN_DIR_PATH="${RODA_DIR}/${chain_dir}" for subdir in $(ls "${CHAIN_DIR_PATH}"); do if [[ $subdir = "pdb" ]] || [[ $subdir = "cif" ]]; then mv "${CHAIN_DIR_PATH}/${subdir}"/* "${DATA_DIR}" else CHAIN_ALIGNMENT_DIR="${ALIGNMENT_DIR}/${chain_dir}" mkdir -p "${CHAIN_ALIGNMENT_DIR}" mv "${CHAIN_DIR_PATH}/${subdir}"/* "${CHAIN_ALIGNMENT_DIR}" fi done done NO_DATA_FILES=$(find "${DATA_DIR}" -type f | wc -l) if [[ $NO_DATA_FILES = 0 ]]; then rm -rf ${DATA_DIR} fi ================================================ FILE: vendor/openfold/scripts/generate_alphafold_feature_dict.py ================================================ import argparse import os import pickle from alphafold.data import pipeline, templates from scripts.utils import add_data_args def main(args): template_featurizer = templates.TemplateHitFeaturizer( mmcif_dir=args.mmcif_dir, max_template_date=args.max_template_date, max_hits=20, kalign_binary_path=args.kalign_binary_path, release_dates_path=None, obsolete_pdbs_path=args.obsolete_pdbs_path, ) data_pipeline = pipeline.DataPipeline( jackhmmer_binary_path=args.jackhmmer_binary_path, hhblits_binary_path=args.hhblits_binary_path, hhsearch_binary_path=args.hhsearch_binary_path, uniref90_database_path=args.uniref90_database_path, mgnify_database_path=args.mgnify_database_path, bfd_database_path=args.bfd_database_path, uniclust30_database_path=args.uniclust30_database_path, pdb70_database_path=args.pdb70_database_path, small_bfd_database_path=None, template_featurizer=template_featurizer, use_small_bfd=False, ) feature_dict = data_pipeline.process( input_fasta_path=args.fasta_path, msa_output_dir=args.output_dir, ) with open(os.path.join(args.output_dir, "feature_dict.pickle"), "wb") as fp: pickle.dump(feature_dict, fp, protocol=pickle.HIGHEST_PROTOCOL) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument("fasta_path", type=str) parser.add_argument("mmcif_dir", type=str) parser.add_argument("output_dir", type=str) add_data_args(parser) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/generate_chain_data_cache.py ================================================ import argparse from functools import partial import json import logging from multiprocessing import Pool import os import sys sys.path.append(".") # an innocent hack to get this to run from the top level from tqdm import tqdm from openfold.data.mmcif_parsing import parse from openfold.np import protein, residue_constants def parse_file( f, args, chain_cluster_size_dict ): file_id, ext = os.path.splitext(f) if(ext == ".cif"): with open(os.path.join(args.data_dir, f), "r") as fp: mmcif_string = fp.read() mmcif = parse(file_id=file_id, mmcif_string=mmcif_string) if mmcif.mmcif_object is None: logging.info(f"Could not parse {f}. Skipping...") return {} else: mmcif = mmcif.mmcif_object out = {} for chain_id, seq in mmcif.chain_to_seqres.items(): full_name = "_".join([file_id, chain_id]) out[full_name] = {} local_data = out[full_name] local_data["release_date"] = mmcif.header["release_date"] local_data["seq"] = seq local_data["resolution"] = mmcif.header["resolution"] if(chain_cluster_size_dict is not None): cluster_size = chain_cluster_size_dict.get( full_name.upper(), -1 ) local_data["cluster_size"] = cluster_size elif(ext == ".pdb"): with open(os.path.join(args.data_dir, f), "r") as fp: pdb_string = fp.read() protein_object = protein.from_pdb_string(pdb_string, None) chain_dict = {} chain_dict["seq"] = residue_constants.aatype_to_str_sequence( protein_object.aatype, ) chain_dict["resolution"] = 0. if(chain_cluster_size_dict is not None): cluster_size = chain_cluster_size_dict.get( full_name.upper(), -1 ) chain_dict["cluster_size"] = cluster_size out = {file_id: chain_dict} return out def main(args): chain_cluster_size_dict = None if(args.cluster_file is not None): chain_cluster_size_dict = {} with open(args.cluster_file, "r") as fp: clusters = [l.strip() for l in fp.readlines()] for cluster in clusters: chain_ids = cluster.split() cluster_len = len(chain_ids) for chain_id in chain_ids: chain_id = chain_id.upper() chain_cluster_size_dict[chain_id] = cluster_len accepted_exts = [".cif", ".pdb"] files = list(os.listdir(args.data_dir)) files = [f for f in files if os.path.splitext(f)[-1] in accepted_exts] fn = partial( parse_file, args=args, chain_cluster_size_dict=chain_cluster_size_dict, ) data = {} with Pool(processes=args.no_workers) as p: with tqdm(total=len(files)) as pbar: for d in p.imap_unordered(fn, files, chunksize=args.chunksize): data.update(d) pbar.update() with open(args.output_path, "w") as fp: fp.write(json.dumps(data, indent=4)) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "data_dir", type=str, help="Directory containing mmCIF or PDB files" ) parser.add_argument( "output_path", type=str, help="Path for .json output" ) parser.add_argument( "--cluster_file", type=str, default=None, help=( "Path to a cluster file (e.g. PDB40), one cluster " "({PROT1_ID}_{CHAIN_ID} {PROT2_ID}_{CHAIN_ID} ...) per line. " "Chains not in this cluster file will NOT be filtered by cluster " "size." ) ) parser.add_argument( "--no_workers", type=int, default=4, help="Number of workers to use for parsing" ) parser.add_argument( "--chunksize", type=int, default=10, help="How many files should be distributed to each worker at a time" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/generate_mmcif_cache.py ================================================ import argparse from functools import partial import json import logging from multiprocessing import Pool import os import sys sys.path.append(".") # an innocent hack to get this to run from the top level from tqdm import tqdm from openfold.data.mmcif_parsing import parse def parse_file(f, args): with open(os.path.join(args.mmcif_dir, f), "r") as fp: mmcif_string = fp.read() file_id = os.path.splitext(f)[0] mmcif = parse(file_id=file_id, mmcif_string=mmcif_string) if mmcif.mmcif_object is None: logging.info(f"Could not parse {f}. Skipping...") return {} else: mmcif = mmcif.mmcif_object local_data = {} local_data["release_date"] = mmcif.header["release_date"] chain_ids, seqs = list(zip(*mmcif.chain_to_seqres.items())) local_data["chain_ids"] = chain_ids local_data["seqs"] = seqs local_data["no_chains"] = len(chain_ids) local_data["resolution"] = mmcif.header["resolution"] return {file_id: local_data} def main(args): files = [f for f in os.listdir(args.mmcif_dir) if ".cif" in f] fn = partial(parse_file, args=args) data = {} with Pool(processes=args.no_workers) as p: with tqdm(total=len(files)) as pbar: for d in p.imap_unordered(fn, files, chunksize=args.chunksize): data.update(d) pbar.update() with open(args.output_path, "w") as fp: fp.write(json.dumps(data, indent=4)) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "mmcif_dir", type=str, help="Directory containing mmCIF files" ) parser.add_argument( "output_path", type=str, help="Path for .json output" ) parser.add_argument( "--no_workers", type=int, default=4, help="Number of workers to use for parsing" ) parser.add_argument( "--chunksize", type=int, default=10, help="How many files should be distributed to each worker at a time" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/install_hh_suite.sh ================================================ #!/bin/bash git clone --branch v3.3.0 https://github.com/soedinglab/hh-suite.git /tmp/hh-suite \ && mkdir /tmp/hh-suite/build \ && pushd /tmp/hh-suite/build \ && cmake -DCMAKE_INSTALL_PREFIX=/opt/hhsuite .. \ && make -j 4 && make install \ && ln -sf /opt/hhsuite/bin/* /usr/bin \ && popd \ && rm -rf /tmp/hh-suite ================================================ FILE: vendor/openfold/scripts/install_third_party_dependencies.sh ================================================ #!/bin/bash # Download folding resources wget -N --no-check-certificate -P openfold/resources \ https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt # Certain tests need access to this file mkdir -p tests/test_data/alphafold/common ln -rs openfold/resources/stereo_chemical_props.txt tests/test_data/alphafold/common # Decompress test data gunzip -c tests/test_data/sample_feats.pickle.gz > tests/test_data/sample_feats.pickle python setup.py install export LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH # This setting is used to fix a worker assignment issue during data loading conda env config vars set KMP_AFFINITY=none ================================================ FILE: vendor/openfold/scripts/precompute_alignments.py ================================================ import argparse from functools import partial import json import logging import os import threading from multiprocessing import cpu_count from shutil import copyfile import tempfile import openfold.data.mmcif_parsing as mmcif_parsing from openfold.data.data_pipeline import AlignmentRunner from openfold.data.parsers import parse_fasta from openfold.np import protein, residue_constants from utils import add_data_args logging.basicConfig(level=logging.WARNING) def run_seq_group_alignments(seq_groups, alignment_runner, args): dirs = set(os.listdir(args.output_dir)) for seq, names in seq_groups: first_name = names[0] alignment_dir = os.path.join(args.output_dir, first_name) try: os.makedirs(alignment_dir) except Exception as e: logging.warning(f"Failed to create directory for {first_name} with exception {e}...") continue fd, fasta_path = tempfile.mkstemp(suffix=".fasta") with os.fdopen(fd, 'w') as fp: fp.write(f'>query\n{seq}') try: alignment_runner.run( fasta_path, alignment_dir ) except: logging.warning(f"Failed to run alignments for {first_name}. Skipping...") os.remove(fasta_path) os.rmdir(alignment_dir) continue os.remove(fasta_path) for name in names[1:]: if(name in dirs): logging.warning( f'{name} has already been processed. Skipping...' ) continue cp_dir = os.path.join(args.output_dir, name) os.makedirs(cp_dir, exist_ok=True) for f in os.listdir(alignment_dir): copyfile(os.path.join(alignment_dir, f), os.path.join(cp_dir, f)) def parse_and_align(files, alignment_runner, args): for f in files: path = os.path.join(args.input_dir, f) file_id = os.path.splitext(f)[0] seq_group_dict = {} if(f.endswith('.cif')): with open(path, 'r') as fp: mmcif_str = fp.read() mmcif = mmcif_parsing.parse( file_id=file_id, mmcif_string=mmcif_str ) if(mmcif.mmcif_object is None): logging.warning(f'Failed to parse {f}...') if(args.raise_errors): raise list(mmcif.errors.values())[0] else: continue mmcif = mmcif.mmcif_object for chain_letter, seq in mmcif.chain_to_seqres.items(): chain_id = '_'.join([file_id, chain_letter]) l = seq_group_dict.setdefault(seq, []) l.append(chain_id) elif(f.endswith('.fasta') or f.endswith('.fa')): with open(path, 'r') as fp: fasta_str = fp.read() input_seqs, _ = parse_fasta(fasta_str) if len(input_seqs) != 1: msg = f'More than one input_sequence found in {f}' if(args.raise_errors): raise ValueError(msg) else: logging.warning(msg) input_sequence = input_seqs[0] seq_group_dict[input_sequence] = [file_id] elif(f.endswith('.core')): with open(path, 'r') as fp: core_str = fp.read() core_prot = protein.from_proteinnet_string(core_str) aatype = core_prot.aatype seq = ''.join([ residue_constants.restypes_with_x[aatype[i]] for i in range(len(aatype)) ]) seq_group_dict[seq] = [file_id] else: continue seq_group_tuples = [(k,v) for k,v in seq_group_dict.items()] run_seq_group_alignments(seq_group_tuples, alignment_runner, args) def main(args): # Build the alignment tool runner alignment_runner = AlignmentRunner( jackhmmer_binary_path=args.jackhmmer_binary_path, hhblits_binary_path=args.hhblits_binary_path, hhsearch_binary_path=args.hhsearch_binary_path, uniref90_database_path=args.uniref90_database_path, mgnify_database_path=args.mgnify_database_path, bfd_database_path=args.bfd_database_path, uniclust30_database_path=args.uniclust30_database_path, pdb70_database_path=args.pdb70_database_path, use_small_bfd=args.bfd_database_path is None, no_cpus=args.cpus_per_task, ) files = list(os.listdir(args.input_dir)) # Do some filtering if(args.mmcif_cache is not None): with open(args.mmcif_cache, "r") as fp: cache = json.load(fp) else: cache = None dirs = [] if(cache is not None and args.filter): dirs = set(os.listdir(args.output_dir)) def prot_is_done(f): prot_id = os.path.splitext(f)[0] if(prot_id in cache): chain_ids = cache[prot_id]["chain_ids"] for c in chain_ids: full_name = prot_id + "_" + c if(not full_name in dirs): return False else: return False return True files = [f for f in files if not prot_is_done(f)] def split_up_arglist(arglist): # Split up the survivors if(os.environ.get("SLURM_JOB_NUM_NODES", 0)): num_nodes = int(os.environ["SLURM_JOB_NUM_NODES"]) if(num_nodes > 1): node_id = int(os.environ["SLURM_NODEID"]) logging.warning(f"Num nodes: {num_nodes}") logging.warning(f"Node ID: {node_id}") arglist = arglist[node_id::num_nodes] t_arglist = [] for i in range(args.no_tasks): t_arglist.append(arglist[i::args.no_tasks]) return t_arglist if(cache is not None and "seqs" in next(iter(cache.values()))): seq_group_dict = {} for f in files: prot_id = os.path.splitext(f)[0] if(prot_id in cache): prot_cache = cache[prot_id] chains_seqs = zip( prot_cache["chain_ids"], prot_cache["seqs"] ) for chain, seq in chains_seqs: chain_name = prot_id + "_" + chain if(chain_name not in dirs): l = seq_group_dict.setdefault(seq, []) l.append(chain_name) func = partial(run_seq_group_alignments, alignment_runner=alignment_runner, args=args ) seq_groups = [(k,v) for k,v in seq_group_dict.items()] # Sort them by group length so the tasks are approximately balanced seq_groups = sorted(seq_groups, key=lambda x: len(x[1])) task_arglist = [[a] for a in split_up_arglist(seq_groups)] else: func = partial(parse_and_align, alignment_runner=alignment_runner, args=args, ) task_arglist = [[a] for a in split_up_arglist(files)] threads = [] for i, task_args in enumerate(task_arglist): print(f"Started thread {i}...") t = threading.Thread(target=func, args=task_args) threads.append(t) t.start() for t in threads: t.join() if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "input_dir", type=str, help="""Path to directory containing mmCIF, FASTA and/or ProteinNet .core files""" ) parser.add_argument( "output_dir", type=str, help="Directory in which to output alignments" ) add_data_args(parser) parser.add_argument( "--raise_errors", action="store_true", default=False, help="Whether to crash on parsing errors" ) parser.add_argument( "--cpus_per_task", type=int, default=cpu_count(), help="Number of CPUs to use" ) parser.add_argument( "--mmcif_cache", type=str, default=None, help="Path to mmCIF cache. Used to filter files to be parsed" ) parser.add_argument( "--no_tasks", type=int, default=1, ) parser.add_argument( "--filter", type=bool, default=True, ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/precompute_alignments_mmseqs.py ================================================ import argparse import logging import os from pathlib import Path import subprocess from openfold.data.tools import hhsearch def _split_a3ms(output_dir): for fname in os.listdir(output_dir): if(not os.path.splitext(fname)[-1] == ".a3m"): continue fpath = os.path.join(output_dir, fname) with open(fpath, "r") as fp: a3ms = fp.read() # Split by the null byte, excluding the terminating null byte a3ms = a3ms.split('\x00')[:-1] for a3m in a3ms: name = a3m.split('\n', 1)[0][1:] prot_dir = os.path.join(output_dir, name) Path(prot_dir).mkdir(parents=True, exist_ok=True) with open(os.path.join(prot_dir, fname), "w") as fp: fp.write(a3m) os.remove(fpath) os.remove(fpath + ".dbtype") os.remove(fpath + ".index") def main(args): with open(args.input_fasta, "r") as f: lines = [l.strip() for l in f.readlines()] names = lines[::2] seqs = lines[1::2] if(args.fasta_chunk_size is None): chunk_size = len(seqs) else: chunk_size = args.fasta_chunk_size # Make the output directory Path(args.output_dir).mkdir(parents=True, exist_ok=True) s = 0 while(s < len(seqs)): e = s + chunk_size chunk_fasta = [el for tup in zip(names[s:e], seqs[s:e]) for el in tup] s = e prot_dir = os.path.join(args.output_dir, chunk_fasta[0][1:].upper()) if(os.path.exists(prot_dir)): # We've already computed this chunk continue chunk_fasta_path = os.path.join(args.output_dir, "tmp.fasta") with open(chunk_fasta_path, "w") as f: f.write('\n'.join(chunk_fasta) + '\n') cmd = [ "scripts/colabfold_search.sh", args.mmseqs_binary_path, chunk_fasta_path, args.mmseqs_db_dir, args.output_dir, args.uniref_db, '""', '""' if args.env_db is None else args.env_db, "0" if args.env_db is None else "1", "0", # compute templates "1", # filter "1", # use precomputed index "0", # db-load-mode ] logging.info('Launching subprocess "%s"', " ".join(cmd)) process = subprocess.Popen( cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE ) stdout, stderr = process.communicate() retcode = process.wait() if retcode: raise RuntimeError( "MMseqs failed\nstdout:\n%s\n\nstderr:\n%s\n" % (stdout.decode("utf-8"), stderr.decode("utf-8")) ) _split_a3ms(args.output_dir) # Clean up temporary files os.remove(chunk_fasta_path) hhsearch_pdb70_runner = hhsearch.HHSearch( binary_path=args.hhsearch_binary_path, databases=[args.pdb70] ) for d in os.listdir(args.output_dir): dpath = os.path.join(args.output_dir, d) if(not os.path.isdir(dpath)): continue for fname in os.listdir(dpath): fpath = os.path.join(dpath, fname) if(not "uniref" in fname or not os.path.splitext(fname)[-1] == ".a3m"): continue with open(fpath, "r") as fp: a3m = fp.read() hhsearch_result = hhsearch_pdb70_runner.query(a3m) pdb70_out_path = os.path.join(dpath, "pdb70_hits.hhr") with open(pdb70_out_path, "w") as f: f.write(hhsearch_result) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "input_fasta", type=str, help="Path to input FASTA file. Can contain one or more sequences." ) parser.add_argument( "mmseqs_db_dir", type=str, help="""Path to directory containing pre-processed MMSeqs2 DBs (see README)""" ) parser.add_argument( "uniref_db", type=str, help="Basename of uniref database" ) parser.add_argument( "output_dir", type=str, help="Output directory" ) parser.add_argument( "mmseqs_binary_path", type=str, help="Path to mmseqs binary" ) parser.add_argument( "--hhsearch_binary_path", type=str, default=None, help="""Path to hhsearch binary (for template search). In future versions, we'll also use mmseqs for this""" ) parser.add_argument( "--pdb70", type=str, default=None, help="Basename of the pdb70 database" ) parser.add_argument( "--env_db", type=str, default=None, help="Basename of environmental database" ) parser.add_argument( "--fasta_chunk_size", type=int, default=None, help="""How many sequences should be processed at once. All sequences processed at once by default.""" ) args = parser.parse_args() if(args.hhsearch_binary_path is not None and args.pdb70 is None): raise ValueError( "pdb70 must be specified along with hhsearch_binary_path" ) main(args) ================================================ FILE: vendor/openfold/scripts/precompute_embeddings.py ================================================ # Some functions borrowed from [ESM](https://www.github.com/facebookresearch/esm) import argparse import logging import os import torch from openfold.data import parsers logging.basicConfig(level=logging.INFO) class SequenceDataset(object): def __init__(self, labels, sequences) -> None: self.labels = labels self.sequences = sequences @classmethod def from_file(cls, fasta_file): labels, sequences = [], [] with open(fasta_file, "r") as infile: fasta_str = infile.read() sequences, labels = parsers.parse_fasta(fasta_str) assert len(set(labels)) == len(labels),\ "Sequence labels need to be unique. Duplicates found!" return cls(labels, sequences) def __len__(self): return len(self.labels) def __getitem__(self, idx): return self.labels[idx], self.sequences[idx] def get_batch_indices(self, toks_per_batch, extra_toks_per_seq): sizes = [(len(s), i) for i, s in enumerate(self.sequences)] sizes.sort() batches = [] buf = [] max_len = 0 def _flush_current_buf(): nonlocal max_len, buf if len(buf) == 0: return batches.append(buf) buf = [] max_len = 0 for sz, i in sizes: sz += extra_toks_per_seq if max(sz, max_len) * (len(buf)+1) > toks_per_batch: _flush_current_buf() max_len = max(max_len, sz) buf.append(i) _flush_current_buf() return batches class EmbeddingGenerator: """Generates the ESM-1b embeddings for the single sequence model""" def __init__(self, toks_per_batch: int = 4096, truncate: bool = True, use_local_esm: str = None, nogpu: bool = False, ): self.toks_per_batch = toks_per_batch self.truncate = truncate self.use_local_esm = use_local_esm self.nogpu = nogpu # Generate embeddings in bulk if self.use_local_esm: self.model, self.alphabet = torch.hub.load(self.use_local_esm, "esm1b_t33_650M_UR50S", source='local') else: self.model, self.alphabet = torch.hub.load("facebookresearch/esm:main", "esm1b_t33_650M_UR50S") if torch.cuda.is_available() and not self.nogpu: self.model = self.model.to(device="cuda") def parse_sequences(self, fasta_dir, output_dir): labels = [] seqs = [] # Generate a single bulk file for f in os.listdir(fasta_dir): f_name, ext = os.path.splitext(f) if ext != '.fasta' and ext != '.fa': logging.warning(f"Ignoring non-FASTA file: {f}") continue with open(os.path.join(fasta_dir, f), 'r') as infile: seq = infile.readlines()[1].strip() labels.append(f_name) seqs.append(seq) lines = [] for label, seq in zip(labels, seqs): lines += f'>{label}\n' lines += f'{seq}\n' os.makedirs(output_dir, exist_ok=True) temp_fasta_file = os.path.join(output_dir, 'temp.fasta') with open(temp_fasta_file, 'w') as outfile: outfile.writelines(lines) return temp_fasta_file def run( self, fasta_file, output_dir, ): dataset = SequenceDataset.from_file(fasta_file) batches = dataset.get_batch_indices(self.toks_per_batch, extra_toks_per_seq=1) data_loader = torch.utils.data.DataLoader( dataset, collate_fn=self.alphabet.get_batch_converter(), batch_sampler=batches ) logging.info("Loaded all sequences") repr_layers = [33] with torch.no_grad(): for batch_idx, (labels, strs, toks) in enumerate(data_loader): logging.info(f"Processing {batch_idx + 1} of {len(batches)} batches ({toks.size(0)} sequences)") if torch.cuda.is_available() and not self.nogpu: toks = toks.to(device="cuda", non_blocking=True) if self.truncate: toks = toks[:1022] out = self.model(toks, repr_layers=repr_layers, return_contacts=False) representations = { 33: out["representations"][33].to(device="cpu") } for i, label in enumerate(labels): os.makedirs(os.path.join(output_dir, label), exist_ok=True) result = {"label": label} result["representations"] = { 33: representations[33][i, 1: len(strs[i]) + 1].clone() } torch.save( result, os.path.join(output_dir, label, label+".pt") ) def main(args): logging.info("Loading the model...") embedding_generator = EmbeddingGenerator( args.toks_per_batch, args.truncate, args.use_local_esm, args.nogpu) logging.info("Loading the sequences and running the inference...") temp_fasta_file = embedding_generator.parse_sequences( args.fasta_dir, args.output_dir ) embedding_generator.run( temp_fasta_file, args.output_dir ) os.remove(temp_fasta_file) logging.info("Completed.") if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "fasta_dir", type=str, help="""Path to directory containing FASTA files.""" ) parser.add_argument( "output_dir", type=str, help="Directory in which to output embeddings" ) parser.add_argument( "--toks_per_batch", type=int, default=4096, help="maximum tokens in a batch" ) parser.add_argument( "--truncate", action="store_true", default=True, help="Truncate sequences longer than 1022 (ESM restriction). Default: True" ) parser.add_argument( "--use_local_esm", type=str, default=None, help="Use a local ESM repository instead of cloning from Github" ) parser.add_argument( "--nogpu", action="store_true", help="Do not use GPU" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/prep_mmseqs_dbs.sh ================================================ #!/bin/bash # # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Downloads and unzips all required data for AlphaFold. # # Usage: bash download_all_data.sh /path/to/download/directory set -e DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/mmseqs_dbs" mkdir -p $ROOT_DIR for f in $(ls ${DOWNLOAD_DIR}/*.tar*) do tar --extract --verbose --file="${f}" \ --directory=$ROOT_DIR rm "${f}" BASENAME="$(basename ${f%%.*})" DB_NAME="${BASENAME}_db" OLD_PWD=$(pwd) cd $ROOT_DIR mmseqs tsv2exprofiledb "${BASENAME}" "${DB_NAME}" mmseqs createindex "${DB_NAME}" "${DOWNLOAD_DIR}/tmp/" cd "${OLD_PWD}" done ================================================ FILE: vendor/openfold/scripts/prep_proteinnet_msas.py ================================================ import argparse import logging import os import shutil def main(args): count = 0 max_count = args.max_count if args.max_count is not None else -1 msas = sorted(f for f in os.listdir(args.msa_dir)) mmcifs = sorted(f for f in os.listdir(args.mmcif_dir)) mmcif_idx = 0 for f in msas: if(count == max_count): break path = os.path.join(args.msa_dir, f) name = os.path.splitext(f)[0] spl = name.upper().split('_') if(len(spl) != 3): continue pdb_id, _, chain_id = spl while pdb_id > os.path.splitext(mmcifs[mmcif_idx])[0].upper(): mmcif_idx += 1 # Only consider files with matching mmCIF files if(pdb_id == os.path.splitext(mmcifs[mmcif_idx])[0].upper()): dirname = os.path.join(args.out_dir, '_'.join([pdb_id, chain_id])) os.makedirs(dirname, exist_ok=True) dest = os.path.join(dirname, f) if(args.copy): shutil.copyfile(path, dest) else: os.rename(path, dest) count += 1 if __name__ == "__main__": parser = argparse.ArgumentParser(description= "Converts raw ProteinNet MSAs into a format recognized by the parser" ) parser.add_argument( "msa_dir", type=str, help="Directory containing ProteinNet MSAs" ) parser.add_argument( "mmcif_dir", type=str, help="Directory containing PDB mmCIFs" ) parser.add_argument( "out_dir", type=str, help="Directory to which output should be saved" ) parser.add_argument( "--copy", type=bool, default=True, help="Whether to copy the MSAs to out_dir rather than moving them" ) parser.add_argument( "--max_count", type=int, default=None, help="A bound on the number of MSAs to process" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/run_unit_tests.sh ================================================ #!/bin/bash CUDA_VISIBLE_DEVICES="0" python3 -m unittest "$@" || \ echo -e "\nTest(s) failed. Make sure you've installed all Python dependencies." ================================================ FILE: vendor/openfold/scripts/slurm_scripts/run_uniclust30_search.sh ================================================ #!/bin/bash # Generates uniclust30 all-against-all alignments on a SLURM cluster. # Thanks to Milot Mirdita for help & feedback on this script. set -e if [[ $# != 3 ]]; then echo "usage: ./run_uniclust30_search.sh " exit fi UNICLUST_PATH=$1 SCRATCH_DIR_BN=$2 OUT_DIR=$3 CPUS_PER_TASK=4 MAX_SIZE=10000000000 # 10GB SCRATCH_DIR="${SCRATCH_DIR_BN}_${SLURM_NODEID}" mkdir -p ${SCRATCH_DIR} mkdir -p ${OUT_DIR} # copy database to local ssd DB_BN=$(basename $UNICLUST_PATH) DB_DIR="/dev/shm/uniclust30" mkdir -p $DB_DIR cp ${UNICLUST_PATH}*.ff* $DB_DIR DB="${DB_DIR}/${DB_BN}" for f in $(ls $OUT_DIR/*.zip) do zipinfo -1 $f '*/' | awk -F/ '{print $(NF-1)}' >> ${DB_DIR}/already_searched.txt done python3 filter_ffindex.py ${DB}_a3m.ffindex ${DB_DIR}/already_searched.txt ${DB_DIR}/filtered_a3m.ffindex TARGET="${DB}_a3m_${SLURM_NODEID}.ffindex" split -n "l/$((SLURM_NODEID + 1))/${SLURM_JOB_NUM_NODES}" "${DB_DIR}/filtered_a3m.ffindex" > $TARGET open_sem() { mkfifo pipe-$$ exec 3<>pipe-$$ rm pipe-$$ local i=$1 for ((;i>0;i--)); do printf %s 000 >&3 done } # run the given command asynchronously and pop/push tokens run_with_lock() { local x # this read waits until there is something to read read -u 3 -n 3 x && ((0==x)) || exit $x ( ( "$@"; ) # push the return code of the command to the semaphore printf '%.3d' $? >&3 )& } task() { dd if="${DB}_a3m.ffdata" ibs=1 skip="${OFF}" count="${LEN}" status=none | \ hhblits -i stdin \ -oa3m "${SCRATCH_DIR}/${KEY}/uniclust30.a3m" \ -v 0 \ -o /dev/null \ -cpu $CPUS_PER_TASK \ -d $DB \ -n 3 \ -e 0.001 } zip_or_not() { SIZE=$(du -hbs $SCRATCH_DIR | sed 's/|/ /' | awk '{print $1}') #if [[ "$SIZE" -gt "$MAX_SIZE" ]] if [[ "2" -gt "1" ]] then wait RANDOM_NAME=$(cat /dev/urandom | tr -cd 'a-f0-9' | head -c 32) zip -r "${OUT_DIR}/${RANDOM_NAME}.zip" $SCRATCH_DIR find $SCRATCH_DIR -mindepth 1 -type d -exec rm -rf {} + fi } N=$(($(nproc) / ${CPUS_PER_TASK})) open_sem $N while read -r KEY OFF LEN; do PROT_DIR="${SCRATCH_DIR}/${KEY}" if [[ -d $PROT_DIR ]] then continue fi mkdir -p $PROT_DIR run_with_lock task "${KEY}" "${OFF}" "${LEN}" zip_or_not done < $TARGET wait zip_or_not wait ================================================ FILE: vendor/openfold/scripts/unpack_proteinnet.py ================================================ import argparse import os from pathlib import Path def _write_file(args, file_in_progress): file_id = file_in_progress[1] fname = file_id.upper() + ".core" fpath = os.path.join(args.output_dir, fname) with open(fpath, "w") as fp: fp.write('\n'.join(file_in_progress)) def main(args): Path(args.output_dir).mkdir(parents=True, exist_ok=True) with open(args.proteinnet_file, "r") as fp: proteinnet_string = fp.readlines() file_in_progress = [] for line in proteinnet_string: if(line == "[ID]\n"): if(len(file_in_progress) > 0): _write_file(args, file_in_progress) file_in_progress = [] file_in_progress.append(line.strip()) if(len(file_in_progress) > 0): _write_file(args, file_in_progress) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "proteinnet_file", type=str, help="Path to ProteinNet file to unpack" ) parser.add_argument( "output_dir", type=str, help="Path to directory in which to output .core files" ) args = parser.parse_args() main(args) ================================================ FILE: vendor/openfold/scripts/utils.py ================================================ import argparse import ctypes from datetime import date import sys def add_data_args(parser: argparse.ArgumentParser): parser.add_argument( '--uniref90_database_path', type=str, default=None, ) parser.add_argument( '--mgnify_database_path', type=str, default=None, ) parser.add_argument( '--pdb70_database_path', type=str, default=None, ) parser.add_argument( '--uniclust30_database_path', type=str, default=None, ) parser.add_argument( '--bfd_database_path', type=str, default=None, ) parser.add_argument( '--jackhmmer_binary_path', type=str, default='/usr/bin/jackhmmer' ) parser.add_argument( '--hhblits_binary_path', type=str, default='/usr/bin/hhblits' ) parser.add_argument( '--hhsearch_binary_path', type=str, default='/usr/bin/hhsearch' ) parser.add_argument( '--kalign_binary_path', type=str, default='/usr/bin/kalign' ) parser.add_argument( '--max_template_date', type=str, default=date.today().strftime("%Y-%m-%d"), ) parser.add_argument( '--obsolete_pdbs_path', type=str, default=None ) parser.add_argument( '--release_dates_path', type=str, default=None ) def get_nvidia_cc(): """ Returns a tuple containing the Compute Capability of the first GPU installed in the system (formatted as a tuple of strings) and an error message. When the former is provided, the latter is None, and vice versa. Adapted from script by Jan Schlüte t https://gist.github.com/f0k/63a664160d016a491b2cbea15913d549 """ CUDA_SUCCESS = 0 libnames = [ 'libcuda.so', 'libcuda.dylib', 'cuda.dll', '/usr/local/cuda/compat/libcuda.so', # For Docker ] for libname in libnames: try: cuda = ctypes.CDLL(libname) except OSError: continue else: break else: return None, "Could not load any of: " + ' '.join(libnames) nGpus = ctypes.c_int() cc_major = ctypes.c_int() cc_minor = ctypes.c_int() result = ctypes.c_int() device = ctypes.c_int() error_str = ctypes.c_char_p() result = cuda.cuInit(0) if result != CUDA_SUCCESS: cuda.cuGetErrorString(result, ctypes.byref(error_str)) if error_str.value: return None, error_str.value.decode() else: return None, "Unknown error: cuInit returned %d" % result result = cuda.cuDeviceGetCount(ctypes.byref(nGpus)) if result != CUDA_SUCCESS: cuda.cuGetErrorString(result, ctypes.byref(error_str)) return None, error_str.value.decode() if nGpus.value < 1: return None, "No GPUs detected" result = cuda.cuDeviceGet(ctypes.byref(device), 0) if result != CUDA_SUCCESS: cuda.cuGetErrorString(result, ctypes.byref(error_str)) return None, error_str.value.decode() if cuda.cuDeviceComputeCapability(ctypes.byref(cc_major), ctypes.byref(cc_minor), device) != CUDA_SUCCESS: return None, "Compute Capability not found" major = cc_major.value minor = cc_minor.value return (major, minor), None ================================================ FILE: vendor/openfold/scripts/vars.sh ================================================ #!/bin/bash ENV_NAME=openfold_venv ================================================ FILE: vendor/openfold/scripts/zero_to_fp32.py ================================================ #!/usr/bin/env python # This script extracts fp32 consolidated weights from a zero 2 and 3 DeepSpeed checkpoints. It gets # copied into the top level checkpoint dir, so the user can easily do the conversion at any point in # the future. Once extracted, the weights don't require DeepSpeed and can be used in any # application. # # example: python zero_to_fp32.py . pytorch_model.bin import argparse import torch import glob import math import os from collections import OrderedDict import re # while this script doesn't use deepspeed to recover data, since the checkpoints are pickled with # DeepSpeed data structures it has to be available in the current python environment. import deepspeed from deepspeed.utils import logger debug = 0 # load to cpu device = torch.device('cpu') def get_model_state_file(checkpoint_dir, zero_stage): if not os.path.isdir(checkpoint_dir): raise FileNotFoundError(f"Directory '{checkpoint_dir}' doesn't exist") # there should be only one file if zero_stage == 2: file = os.path.join(checkpoint_dir, "mp_rank_00_model_states.pt") elif zero_stage == 3: file = os.path.join(checkpoint_dir, "zero_pp_rank_0_mp_rank_00_model_states.pt") if not os.path.exists(file): raise FileNotFoundError(f"can't find model states file at '{file}'") return file def get_optim_files(checkpoint_dir): # XXX: need to test that this simple glob rule works for multi-node setup too optim_files = sorted(glob.glob(os.path.join(checkpoint_dir, "*_optim_states.pt"))) if len(optim_files) == 0: raise FileNotFoundError( f"can't find '*_optim_states.pt' files in directory '{checkpoint_dir}'") return optim_files def parse_model_state(file): state_dict = torch.load(file, map_location=device) if "buffer_names" not in state_dict: raise ValueError(f"{file} is not a model state checkpoint") buffer_names = state_dict["buffer_names"] if debug: print("Found buffers:", buffer_names) # recover just the buffers while restoring them to fp32 if they were saved in fp16 buffers = { k: v.float() for k, v in state_dict["module"].items() if k in buffer_names } return buffers def parse_optim_states(files, ds_checkpoint_dir): total_files = len(files) state_dicts = [] for f in files: state_dicts.append(torch.load(f, map_location=device)) if not "zero_stage" in state_dicts[0]['optimizer_state_dict']: raise ValueError(f"{files[0]} is not a zero checkpoint") zero_stage = state_dicts[0]['optimizer_state_dict']["zero_stage"] world_size = state_dicts[0]['optimizer_state_dict']["partition_count"] param_shapes = state_dicts[0]["param_shapes"] # For ZeRO-2 each param group can have different partition_count as data parallelism for expert # parameters can be different from data parallelism for non-expert parameters. So we can just # use the max of the partition_count to get the dp world_size. if type(world_size) is list: world_size = max(world_size) if world_size != total_files: raise ValueError( f"Expected {world_size} of '*_optim_states.pt' under '{ds_checkpoint_dir}' but found {total_files} files. " "Possibly due to an overwrite of an old checkpoint, or a checkpoint didn't get saved by one or more processes." ) # the groups are named differently in each stage if zero_stage == 2: fp32_groups_key = "single_partition_of_fp32_groups" elif zero_stage == 3: fp32_groups_key = "fp32_flat_groups" else: raise ValueError(f"unknown zero stage {zero_stage}") if zero_stage == 2: fp32_flat_groups = [ state_dicts[i]['optimizer_state_dict'][fp32_groups_key] for i in range(len(state_dicts)) ] elif zero_stage == 3: # if there is more than one param group, there will be multiple flattened tensors - one # flattened tensor per group - for simplicity merge them into a single tensor # # XXX: could make the script more memory efficient for when there are multiple groups - it # will require matching the sub-lists of param_shapes for each param group flattened tensor fp32_flat_groups = [ torch.cat(state_dicts[i]['optimizer_state_dict'][fp32_groups_key], 0) for i in range(len(state_dicts)) ] return zero_stage, world_size, param_shapes, fp32_flat_groups def _get_fp32_state_dict_from_zero_checkpoint(ds_checkpoint_dir): """ Returns fp32 state_dict reconstructed from ds checkpoint Args: - ``ds_checkpoint_dir``: path to the deepspeed checkpoint folder (where the optimizer files are) """ print(f"Processing zero checkpoint '{ds_checkpoint_dir}'") optim_files = get_optim_files(ds_checkpoint_dir) zero_stage, world_size, param_shapes, fp32_flat_groups = parse_optim_states(optim_files, ds_checkpoint_dir) print( f"Detected checkpoint of type zero stage {zero_stage}, world_size: {world_size}") model_file = get_model_state_file(ds_checkpoint_dir, zero_stage) buffers = parse_model_state(model_file) if zero_stage == 2: return _get_fp32_state_dict_from_zero2_checkpoint(world_size, param_shapes, fp32_flat_groups, buffers) elif zero_stage == 3: return _get_fp32_state_dict_from_zero3_checkpoint(world_size, param_shapes, fp32_flat_groups, buffers) def _get_fp32_state_dict_from_zero2_checkpoint(world_size, param_shapes, fp32_flat_groups, buffers): # Reconstruction protocol: # # XXX: document this if debug: for i in range(world_size): for j in range(len(fp32_flat_groups[0])): print(f"fp32_flat_groups[{i}][{j}].shape={fp32_flat_groups[i][j].shape}") # XXX: memory usage doubles here (zero2) num_param_groups = len(fp32_flat_groups[0]) merged_single_partition_of_fp32_groups = [] for i in range(num_param_groups): merged_partitions = [sd[i] for sd in fp32_flat_groups] full_single_fp32_vector = torch.cat(merged_partitions, 0) merged_single_partition_of_fp32_groups.append(full_single_fp32_vector) avail_numel = sum([ full_single_fp32_vector.numel() for full_single_fp32_vector in merged_single_partition_of_fp32_groups ]) if debug: wanted_params = sum([len(shapes) for shapes in param_shapes]) wanted_numel = sum( [sum(shape.numel() for shape in shapes.values()) for shapes in param_shapes]) # not asserting if there is a mismatch due to possible padding print(f"Have {avail_numel} numels to process.") print(f"Need {wanted_numel} numels in {wanted_params} params.") state_dict = OrderedDict() # buffers state_dict.update(buffers) if debug: print(f"added {len(buffers)} buffers") # params # XXX: for huge models that can't fit into the host's RAM we will have to recode this to support # out-of-core computing solution total_numel = 0 total_params = 0 for shapes, full_single_fp32_vector in zip(param_shapes, merged_single_partition_of_fp32_groups): offset = 0 avail_numel = full_single_fp32_vector.numel() for name, shape in shapes.items(): unpartitioned_numel = shape.numel() total_numel += unpartitioned_numel total_params += 1 if debug: print( f"{name} full shape: {shape} unpartitioned numel {unpartitioned_numel} " ) state_dict[name] = full_single_fp32_vector.narrow( 0, offset, unpartitioned_numel).view(shape) offset += unpartitioned_numel # Z2 started to align to 2*world_size to improve nccl performance. Therefore both offset and # avail_numel can differ by anywhere between 0..2*world_size. Due to two unrelated complex # paddings performed in the code it's almost impossible to predict the exact numbers w/o the # live optimizer object, so we are checking that the numbers are within the right range align_to = 2 * world_size def zero2_align(x): return align_to * math.ceil(x / align_to) if debug: print(f"original offset={offset}, avail_numel={avail_numel}") offset = zero2_align(offset) avail_numel = zero2_align(avail_numel) if debug: print(f"aligned offset={offset}, avail_numel={avail_numel}") # Sanity check if offset != avail_numel: raise ValueError( f"consumed {offset} numels out of {avail_numel} - something is wrong") print( f"Reconstructed fp32 state dict with {total_params} params {total_numel} elements" ) return state_dict def zero3_partitioned_param_info(unpartitioned_numel, world_size): remainder = unpartitioned_numel % world_size padding_numel = (world_size - remainder) if remainder else 0 partitioned_numel = math.ceil(unpartitioned_numel / world_size) return partitioned_numel, padding_numel def _get_fp32_state_dict_from_zero3_checkpoint(world_size, param_shapes, fp32_flat_groups, buffers): # Reconstruction protocol: For zero3 we need to zip the partitions together at boundary of each # param, re-consolidating each param, while dealing with padding if any avail_numel = fp32_flat_groups[0].numel() * world_size # merge list of dicts, preserving order param_shapes = {k: v for d in param_shapes for k, v in d.items()} if debug: for i in range(world_size): print(f"fp32_flat_groups[{i}].shape={fp32_flat_groups[i].shape}") wanted_params = len(param_shapes) wanted_numel = sum(shape.numel() for shape in param_shapes.values()) # not asserting if there is a mismatch due to possible padding print(f"Have {avail_numel} numels to process.") print(f"Need {wanted_numel} numels in {wanted_params} params.") state_dict = OrderedDict() # buffers state_dict.update(buffers) if debug: print(f"added {len(buffers)} buffers") # params # XXX: for huge models that can't fit into the host's RAM we will have to recode this to support # out-of-core computing solution offset = 0 total_numel = 0 total_params = 0 for name, shape in param_shapes.items(): unpartitioned_numel = shape.numel() total_numel += unpartitioned_numel total_params += 1 partitioned_numel, partitioned_padding_numel = zero3_partitioned_param_info(unpartitioned_numel, world_size) if debug: print( f"{total_params} {name} full shape: {shape} partition0 numel={partitioned_numel} partitioned_padding_numel={partitioned_padding_numel}" ) # XXX: memory usage doubles here state_dict[name] = torch.cat( tuple(fp32_flat_groups[i].narrow(0, offset, partitioned_numel) for i in range(world_size)), 0).narrow(0, 0, unpartitioned_numel).view(shape) offset += partitioned_numel offset *= world_size # Sanity check if offset != avail_numel: raise ValueError( f"consumed {offset} numels out of {avail_numel} - something is wrong") print( f"Reconstructed fp32 state dict with {total_params} params {total_numel} elements" ) return state_dict def get_fp32_state_dict_from_zero_checkpoint(checkpoint_dir, tag=None): """ Convert ZeRO 2 or 3 checkpoint into a single fp32 consolidated state_dict that can be loaded with ``load_state_dict()`` and used for training without DeepSpeed or shared with others, for example via a model hub. Args: - ``checkpoint_dir``: path to the desired checkpoint folder - ``tag``: checkpoint tag used as a unique identifier for checkpoint. If not provided will attempt to load tag in 'latest' file. e.g., ``global_step14`` Returns: - pytorch ``state_dict`` Note: this approach may not work if your application doesn't have sufficient free CPU memory and you may need to use the offline approach using the ``zero_to_fp32.py`` script that is saved with the checkpoint. A typical usage might be :: from deepspeed.utils.zero_to_fp32 import get_fp32_state_dict_from_zero_checkpoint # do the training and checkpoint saving state_dict = get_fp32_state_dict_from_zero_checkpoint(checkpoint_dir) # already on cpu model = model.cpu() # move to cpu model.load_state_dict(state_dict) # submit to model hub or save the model to share with others In this example the ``model`` will no longer be usable in the deepspeed context of the same application. i.e. you will need to re-initialize the deepspeed engine, since ``model.load_state_dict(state_dict)`` will remove all the deepspeed magic from it. If you want it all done for you, use ``load_state_dict_from_zero_checkpoint`` instead. """ if tag is None: latest_path = os.path.join(checkpoint_dir, 'latest') if os.path.isfile(latest_path): with open(latest_path, 'r') as fd: tag = fd.read().strip() else: raise ValueError(f"Unable to find 'latest' file at {latest_path}") ds_checkpoint_dir = os.path.join(checkpoint_dir, tag) if not os.path.isdir(ds_checkpoint_dir): raise FileNotFoundError(f"Directory '{ds_checkpoint_dir}' doesn't exist") return _get_fp32_state_dict_from_zero_checkpoint(ds_checkpoint_dir) def convert_zero_checkpoint_to_fp32_state_dict(checkpoint_dir, output_file, tag=None): """ Convert ZeRO 2 or 3 checkpoint into a single fp32 consolidated ``state_dict`` file that can be loaded with ``torch.load(file)`` + ``load_state_dict()`` and used for training without DeepSpeed. Args: - ``checkpoint_dir``: path to the desired checkpoint folder. (one that contains the tag-folder, like ``global_step14``) - ``output_file``: path to the pytorch fp32 state_dict output file (e.g. path/pytorch_model.bin) - ``tag``: checkpoint tag used as a unique identifier for checkpoint. If not provided will attempt to load tag in the file named ``latest`` in the checkpoint folder, e.g., ``global_step14`` """ state_dict = get_fp32_state_dict_from_zero_checkpoint(checkpoint_dir, tag) print(f"Saving fp32 state dict to {output_file}") torch.save(state_dict, output_file) def load_state_dict_from_zero_checkpoint(model, checkpoint_dir, tag=None): """ 1. Put the provided model to cpu 2. Convert ZeRO 2 or 3 checkpoint into a single fp32 consolidated ``state_dict`` 3. Load it into the provided model Args: - ``model``: the model object to update - ``checkpoint_dir``: path to the desired checkpoint folder. (one that contains the tag-folder, like ``global_step14``) - ``tag``: checkpoint tag used as a unique identifier for checkpoint. If not provided will attempt to load tag in the file named ``latest`` in the checkpoint folder, e.g., ``global_step14`` Returns: - ``model`: modified model Make sure you have plenty of CPU memory available before you call this function. If you don't have enough use the ``zero_to_fp32.py`` utility to do the conversion. You will find it conveniently placed for you in the checkpoint folder. A typical usage might be :: from deepspeed.utils.zero_to_fp32 import load_state_dict_from_zero_checkpoint model = load_state_dict_from_zero_checkpoint(trainer.model, checkpoint_dir) # submit to model hub or save the model to share with others Note, that once this was run, the ``model`` will no longer be usable in the deepspeed context of the same application. i.e. you will need to re-initialize the deepspeed engine, since ``model.load_state_dict(state_dict)`` will remove all the deepspeed magic from it. """ logger.info(f"Extracting fp32 weights") state_dict = get_fp32_state_dict_from_zero_checkpoint(checkpoint_dir, tag) logger.info(f"Overwriting model with fp32 weights") model = model.cpu() model.load_state_dict(state_dict, strict=False) return model def get_global_step_from_zero_checkpoint(checkpoint_dir): global_step = -1 latest_path = os.path.join(checkpoint_dir, 'latest') if os.path.isfile(latest_path): with open(latest_path, 'r') as fd: tag = fd.read().strip() match = re.match(r"global_step([0-9]+)", tag) global_step = int(match.group(1)) else: raise ValueError(f"Unable to find 'latest' file at {latest_path}") return global_step if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "checkpoint_dir", type=str, help="path to the desired checkpoint folder, e.g., path/checkpoint-12") parser.add_argument( "output_file", type=str, help= "path to the pytorch fp32 state_dict output file (e.g. path/checkpoint-12/pytorch_model.bin)" ) parser.add_argument("-d", "--debug", action='store_true', help="enable debug") args = parser.parse_args() debug = args.debug convert_zero_checkpoint_to_fp32_state_dict(args.checkpoint_dir, args.output_file) ================================================ FILE: vendor/openfold/setup.py ================================================ # Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import os from setuptools import setup, Extension, find_packages import subprocess import torch from torch.utils.cpp_extension import BuildExtension, CppExtension, CUDAExtension, CUDA_HOME from scripts.utils import get_nvidia_cc version_dependent_macros = [ '-DVERSION_GE_1_1', '-DVERSION_GE_1_3', '-DVERSION_GE_1_5', ] extra_cuda_flags = [ '-std=c++17', '-maxrregcount=50', '-U__CUDA_NO_HALF_OPERATORS__', '-U__CUDA_NO_HALF_CONVERSIONS__', '--expt-relaxed-constexpr', '--expt-extended-lambda' ] def get_cuda_bare_metal_version(cuda_dir): if cuda_dir==None or torch.version.cuda==None: print("CUDA is not found, cpu version is installed") return None, -1, 0 else: raw_output = subprocess.check_output([cuda_dir + "/bin/nvcc", "-V"], universal_newlines=True) output = raw_output.split() release_idx = output.index("release") + 1 release = output[release_idx].split(".") bare_metal_major = release[0] bare_metal_minor = release[1][0] return raw_output, bare_metal_major, bare_metal_minor compute_capabilities = set([ (3, 7), # K80, e.g. (5, 2), # Titan X (6, 1), # GeForce 1000-series ]) compute_capabilities.add((7, 0)) _, bare_metal_major, _ = get_cuda_bare_metal_version(CUDA_HOME) if int(bare_metal_major) >= 11: compute_capabilities.add((8, 0)) compute_capability, _ = get_nvidia_cc() if compute_capability is not None: compute_capabilities = set([compute_capability]) cc_flag = [] for major, minor in list(compute_capabilities): cc_flag.extend([ '-gencode', f'arch=compute_{major}{minor},code=sm_{major}{minor}', ]) extra_cuda_flags += cc_flag if bare_metal_major != -1: modules = [CUDAExtension( name="attn_core_inplace_cuda", sources=[ "openfold/utils/kernel/csrc/softmax_cuda.cpp", "openfold/utils/kernel/csrc/softmax_cuda_kernel.cu", ], include_dirs=[ os.path.join( os.path.dirname(os.path.abspath(__file__)), 'openfold/utils/kernel/csrc/' ) ], extra_compile_args={ 'cxx': ['-O3'] + version_dependent_macros, 'nvcc': ( ['-O3', '--use_fast_math'] + version_dependent_macros + extra_cuda_flags ), } )] else: modules = [CppExtension( name="attn_core_inplace_cuda", sources=[ "openfold/utils/kernel/csrc/softmax_cuda.cpp", "openfold/utils/kernel/csrc/softmax_cuda_stub.cpp", ], extra_compile_args={ 'cxx': ['-O3'], } )] setup( name='openfold', version='1.0.1', description='A PyTorch reimplementation of DeepMind\'s AlphaFold 2', author='Gustaf Ahdritz & DeepMind', author_email='gahdritz@gmail.com', license='Apache License, Version 2.0', url='https://github.com/aqlaboratory/openfold', packages=find_packages(exclude=["tests", "scripts"]), include_package_data=True, package_data={ "openfold": ['utils/kernel/csrc/*'], "": ["resources/stereo_chemical_props.txt"] }, ext_modules=modules, cmdclass={'build_ext': BuildExtension}, classifiers=[ 'License :: OSI Approved :: Apache Software License', 'Operating System :: POSIX :: Linux', 'Programming Language :: Python :: 3.9,' 'Topic :: Scientific/Engineering :: Artificial Intelligence', ], ) ================================================ FILE: vendor/openfold/tests/__init__.py ================================================ ================================================ FILE: vendor/openfold/tests/compare_utils.py ================================================ import os import importlib import pkgutil import sys import unittest import numpy as np from openfold.config import model_config from openfold.model.model import AlphaFold from openfold.utils.import_weights import import_jax_weights_ from tests.config import consts # Give JAX some GPU memory discipline # (by default it hogs 90% of GPU memory. This disables that behavior and also # forces it to proactively free memory that it allocates) os.environ["XLA_PYTHON_CLIENT_ALLOCATOR"] = "platform" os.environ["JAX_PLATFORM_NAME"] = "gpu" def alphafold_is_installed(): return importlib.util.find_spec("alphafold") is not None def skip_unless_alphafold_installed(): return unittest.skipUnless(alphafold_is_installed(), "Requires AlphaFold") def import_alphafold(): """ If AlphaFold is installed using the provided setuptools script, this is necessary to expose all of AlphaFold's precious insides """ if "alphafold" in sys.modules: return sys.modules["alphafold"] module = importlib.import_module("alphafold") # Forcefully import alphafold's submodules submodules = pkgutil.walk_packages(module.__path__, prefix=("alphafold.")) for submodule_info in submodules: importlib.import_module(submodule_info.name) sys.modules["alphafold"] = module globals()["alphafold"] = module return module def get_alphafold_config(): config = alphafold.model.config.model_config("model_1_ptm") # noqa config.model.global_config.deterministic = True return config _param_path = "openfold/resources/params/params_model_1_ptm.npz" _model = None def get_global_pretrained_openfold(): global _model if _model is None: _model = AlphaFold(model_config("model_1_ptm")) _model = _model.eval() if not os.path.exists(_param_path): raise FileNotFoundError( """Cannot load pretrained parameters. Make sure to run the installation script before running tests.""" ) import_jax_weights_(_model, _param_path, version="model_1_ptm") _model = _model.cuda() return _model _orig_weights = None def _get_orig_weights(): global _orig_weights if _orig_weights is None: _orig_weights = np.load(_param_path) return _orig_weights def _remove_key_prefix(d, prefix): for k, v in list(d.items()): if k.startswith(prefix): d.pop(k) d[k[len(prefix) :]] = v def fetch_alphafold_module_weights(weight_path): orig_weights = _get_orig_weights() params = {k: v for k, v in orig_weights.items() if weight_path in k} if "/" in weight_path: spl = weight_path.split("/") spl = spl if len(spl[-1]) != 0 else spl[:-1] module_name = spl[-1] prefix = "/".join(spl[:-1]) + "/" _remove_key_prefix(params, prefix) try: params = alphafold.model.utils.flat_params_to_haiku(params) # noqa except: raise ImportError( "Make sure to call import_alphafold before running this function" ) return params ================================================ FILE: vendor/openfold/tests/config.py ================================================ import ml_collections as mlc consts = mlc.ConfigDict( { "batch_size": 2, "n_res": 11, "n_seq": 13, "n_templ": 3, "n_extra": 17, "n_heads_extra_msa": 8, "eps": 5e-4, # For compatibility with DeepMind's pretrained weights, it's easiest for # everyone if these take their real values. "c_m": 256, "c_z": 128, "c_s": 384, "c_t": 64, "c_e": 64, } ) config = mlc.ConfigDict( { "data": { "common": { "masked_msa": { "profile_prob": 0.1, "same_prob": 0.1, "uniform_prob": 0.1, }, } } } ) ================================================ FILE: vendor/openfold/tests/data_utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import numpy as np from scipy.spatial.transform import Rotation def random_template_feats(n_templ, n, batch_size=None): b = [] if batch_size is not None: b.append(batch_size) batch = { "template_mask": np.random.randint(0, 2, (*b, n_templ)), "template_pseudo_beta_mask": np.random.randint(0, 2, (*b, n_templ, n)), "template_pseudo_beta": np.random.rand(*b, n_templ, n, 3), "template_aatype": np.random.randint(0, 22, (*b, n_templ, n)), "template_all_atom_mask": np.random.randint( 0, 2, (*b, n_templ, n, 37) ), "template_all_atom_positions": np.random.rand(*b, n_templ, n, 37, 3) * 10, "template_torsion_angles_sin_cos": np.random.rand(*b, n_templ, n, 7, 2), "template_alt_torsion_angles_sin_cos": np.random.rand(*b, n_templ, n, 7, 2), "template_torsion_angles_mask": np.random.rand(*b, n_templ, n, 7), } batch = {k: v.astype(np.float32) for k, v in batch.items()} batch["template_aatype"] = batch["template_aatype"].astype(np.int64) return batch def random_extra_msa_feats(n_extra, n, batch_size=None): b = [] if batch_size is not None: b.append(batch_size) batch = { "extra_msa": np.random.randint(0, 22, (*b, n_extra, n)).astype( np.int64 ), "extra_has_deletion": np.random.randint(0, 2, (*b, n_extra, n)).astype( np.float32 ), "extra_deletion_value": np.random.rand(*b, n_extra, n).astype( np.float32 ), "extra_msa_mask": np.random.randint(0, 2, (*b, n_extra, n)).astype( np.float32 ), } return batch def random_affines_vector(dim): prod_dim = 1 for d in dim: prod_dim *= d affines = np.zeros((prod_dim, 7)).astype(np.float32) for i in range(prod_dim): affines[i, :4] = Rotation.random(random_state=42).as_quat() affines[i, 4:] = np.random.rand( 3, ).astype(np.float32) return affines.reshape(*dim, 7) def random_affines_4x4(dim): prod_dim = 1 for d in dim: prod_dim *= d affines = np.zeros((prod_dim, 4, 4)).astype(np.float32) for i in range(prod_dim): affines[i, :3, :3] = Rotation.random(random_state=42).as_matrix() affines[i, :3, 3] = np.random.rand( 3, ).astype(np.float32) affines[:, 3, 3] = 1 return affines.reshape(*dim, 4, 4) ================================================ FILE: vendor/openfold/tests/test_data/alignments/bfd_uniclust_hits.a3m ================================================ >query MAAHKGAEHHHKAAEHHEQAAKHHHAAAEHHEKGEHEQAAHHADTAYAHHKHAEEHAAQAAKHDAEHHAPKPH >tr|A0A2A6NXF8|A0A2A6NXF8_9BRAD Uncharacterized protein OS=Bradyrhizobium sp. C9 OX=142585 GN=CO675_03465 PE=4 SV=1 MSDHAGVEHHHKAAEHHEHAARHHREAARHHEAGDHHKAAHHAHSAHGHASHAQHHHTEASRHHAEHHGEH-- >tr|A0A1F2V377|A0A1F2V377_9BACT Uncharacterized protein OS=Acidobacteria bacterium RIFCSPLOWO2_12_FULL_60_22 OX=1797188 GN=A3J28_14435 PE=4 SV=1 -MPRTGAEHHEAAAQHHEQAARHHHEAAKQDHSGHHEKAGHYAHLAYAHFKHAEQHAAEAAKTHAKNHTG--- >SRR6202048_823629 MTDHAGVEHHHKAAEHHEQAAKHHREAAKHHEAGDHEKAEHPAPTAPGHASHAEEHHAEASRHHAEHHV---- >ERR1700724_1870475 MADHAGVEHHHKDAEHHEPAAKHHREAAKRHEAGDHEKAAHNAHSVQGHASHAEEHHAEATRHPAEPH----- >ERR1700758_4094796 MRDHAGVEHHHKAAEHHEHAARHHREAAKHHEAGDHEKAAHHAHTAHGHHQHATHHGAEAAKAHTEHHG---- >ERR1700724_4573945 MADHAGVEHHHKAAEHHEHAAKHHREAAKHHEAGDHGKAGPPAHTGHGQATP--------------------- >SRR5271157_4511021 MSEHKGVEHHHKAAEHHEHAARHHREAAKHHEAGHHEKAAHHAHTAHGHASHAEHHATEAAKAHAEAHG---- >SRR5579863_5645041 EMSKQAVEQHLKSAEHHEQAARHHKEAAKHHQSGNHEKAAHHAHMAHGHHEHAQHHAAEAAKAHAQEHD---- >ERR1700733_9528035 SMAHHGAEHHHKAAEHHEQAAAHHREAAKHHESGDHQKAGHHAHIAHGHTLHAAQHAEEAGKHHADQHG---- >SRR6202030_3868138 -MSKQAAEHHHKAAEHHEHAARHHREAATHHESGNHETAAHHAHTAQGHLNHATHHASESAKQHAEHHGEK-- >ERR1700691_2094390 -MSKQTAEHHHKAAEHHEHAARHHREAAKHHETGNFETAAHHAHSAQGHLHHATHHSAEAAKAHVDHHGHK-- >ERR1700730_18364367 -MSKQAAEHHHKAAEHHEHRARHHKEDAKHHEAGKLETASRHARLAKGHHEHAIHHAAEAVKPHLEHYGKT-- >ERR1700683_378504 LMSKQAAEHHHKAAEHHDTAARHHREAAAHHEAGDHYQAAHHAHTAQGHLHHATHHSEEAAKLHVEHHGHKT- >ERR1700735_4440382 LMSKQAAEHHHKAAEHHDHAARHHREAAAHHEADNHETAAHHAHTAQGHSHHATHHATEAAKHHVEHHGEKA- >SRR5271166_1724810 HMSKEAAEHHHKAAEHHEHAAKHHKAAAAAHEAGNHEKAGHHAHVAEGHLNHATHHAEEASKLHATEHGHKX- >ERR1700689_5314695 LMSKQAAEHHHKAAEHHDHAARHHRETRGHHEASEQ------------------------------------- >SRR5215468_10051876 TMSKHLAEAHHQAAEHHEHAARHHREAAKHHEAGDHETAAHHAHTAQGHLHHATHHSTEASKQHAEHHGGTA- >SRR6202795_3681341 PMSKKAAEHHLQAAEHHEHAARHHREAAKHHEAGDHESAAHHAHTAQGHLHHATHHSAEAAKMHVEDHGEKR- >ERR1700681_451985 PMSKQAAEHHTKADDHHENAARHHREAARHHEADDHESAAHHAHTAQGHLHHATHHAAEAAKSHAEHHGNKT- >SRR5580698_71909 EMSKQAAEHYHKAAEHHEKAALHHRHAAKHHEADDHKSAAHHAHTAQGHLHHAAHHATEAAKLHV-------- >SRR6516225_6087423 YMSKEAAEHHREAAQHHEQAAKHHHEAAKHHEAANHQEAAHHAHSAQGHLHHATHHAAEAAKLHAEHHGHKA- >SRR5215469_385579 PMSKEAAEHHGKAADHHEHAAHHHREAAKHHESGNWETAAHHAHTAQGHLHHATHHASEAAKLHAEQHGSKT- >SRR6202008_2710750 QMSKQAAEPHGKAAEHHEHAARHHREAAKPHESGNYETAAHHAPSAQGHLHHATHHAIEAAKSPLEHHGSKS- >ERR1700685_3697209 TMSREAAEHHRLAAEHHDHAARHHREAAKHHEDGDHHSAAHHAHTAQGHTHHSSHHAAEAAKAHAAEHGHKS- >ERR1022692_1727563 SMSENHIDHHHKAAEHHEHAAKHHHAAAEHHANEHAASEHMSAPX---------------------------- >ERR1022692_874132 SMSENHIEHHHKAAEHHEHTAKHHHAAAEHHQNGDHEKASHHAHAAHGHALHAEHHANEAAKHHANEHAAS-- >SRR5882757_333284 LMSKHAVEHHHKAAEHHEHAAKHHREAAKHHDSGDHEKAAHHAHTAHGHASHAEEHHHEASRHHAEHHGAH-- >SRR5580693_5755422 SMSENHIDHHHKAAEHHEHAAKHHRAAAEHHQNGNHEKGAHHAHAAHGHSLHADHHATEAAKHQANEHGHH-- >tr|A0A1Q3KM49|A0A1Q3KM49_9PROT Uncharacterized protein OS=Alphaproteobacteria bacterium 65-37 GN=BGN99_28215 PE=4 SV=1 MPKDKIIEHHRSAADHHEKAAQHHREAAKHHESDSHEKAAHHAHSAHGHSAHATHHAGEASKHHAEHHGGH-- >SRR5450755_4508362 NMSDHAVEHHHKAAEHHEHAAKHHREAAKHHETGDHEKEAHHAQVAHGHGLHADHHASEAAKQHANEHGDA-- >SRR5471032_1874884 GERNMSVEHPHKAAKHHEHAAKHPREATKHHEAGDHEKAAHHAHTAHGHASHAEEHHAEASRHHAVHHGAH-- >SRR5215472_4418814 RPKMTPHEHHHKAAEHHEHAARHHREAAKHYEAGNHEKAAHHAHLAHGHHLHALHHGQEAAKGHV-------- >SRR5271165_4906151 HMSKNATEHHRKAAEHHEHAAKHHHAAAEHHEAGNHEKAGHHAHVAEGHLNHATHHSEEASKHHANQHAHS-- >ERR1700680_4602609 FTINKGAEYHKKAAEHHELAAKHHREAAKHHEAGSHEKAAHHSEIAAGHGLTAVHHTEEATKHHPEEHTEK-- >ERR1019366_9606641 MATHKGTEHHKKAAEHHELAAKHHREAAKLHEAGSHEKAAHHAQIAAGHGLHAVYHTEEATKHHADEHTGK-- >SRR5271165_1617824 MATHKGAEHHKKAAEHHELAAKHHREAAKHHEAGSHEKAAHHSEIAAGHTLQAVHHTEEAVKAHLDEHGKK-- >SRR5580693_8743019 FTINKGAEYHKKAAEHHELAAKHHREAAKHHEAGSHEKAAHHSHSAHGHASQAEHHHAQASRH---------- >ERR1035438_5033680 MATHKGAEHHKKAAEHHDLAAKHHQEAAKHHEAGSHEKAAHSSEVATGHGLHAVYHTEEAIKHHADEHTGK-- >SRR5581483_8067321 MNDHEIHEHHEHAADHHEHAAKHHREAAQHHKAGDHEKAAHHSKIAHGHHLHAVEHHEHAAKKHADEHE---- >ERR1700737_2020172 IMSKQAAEHHKKAAEHFEHAARHHKEAAKHHDAGAHEKAAHHAHVAHGHHLHARHYAEEAAKSHVEHHGKKX- >SRR5215831_18626949 DMSKEAAEHHRKAAEHLEHAAHHHKEAASHHEAGAHEKAAHHAHVAHGHHLHADHHAEEAAKTHVEHHGKK-- >ERR1022692_4502959 MATNQAAEHHHKAAEHHEHAARHHKEAAKHHEAGNHEKAAHHAHLAHGHTHHATHHAAEAAKAHVEHHGKKPX >ERR1022692_1596713 MATNKAAEHHHKAAEHHEHAARHHKEAAKHHEAGNHEKAAHHAHLAHAHHLHVTHHSTEATKAHAQDHGSKX- >ERR1700726_249602 RMSKQAAEHHNKAAQHHEQAAEHHREAAWYHEDGDHEAAAHHAHTAQGHLHHATHHAAEAAKLHVEHHGHKV- >SRR5580693_6803329 QMSKQAAEHHNQAAEHHDHAARHHREAARHHEAGDHEAAAHHAHTAQGHQHHATHHATEAAKLHVEHYGQKV- >ERR1700690_193599 QMSKEISDHHHSAAKHHESAAHHHKEAAKHHEAGNHEKAAHHAHTAHGHMTHATHHAAEAAKLHVEHHGSHK- >ERR1700683_4574945 SMSKQAAEHHHRAAEHHEHAARHHREAAKHHEAADRLSAAHHAHTAHGHLQHATHHASEAAKSHVEHHGHKV- >SRR3974390_98844 NMSKQAAEHHHKAAEHHEHAARHHREAAKHHEAGDHHLAAHHAHTANGHHHHAMHHSAEAAKAHAQEHGGAS- >SRR5208282_6358198 FMSKHAVEHHHKAAEHHDHAAHHHREAARHHEAGEHHLAAHHAHLASGHHHHAMHHSAEAAKAHVEHHGESA- >ERR1700678_2201630 QMSKKAVQHHTSAAEHHEHAARHHREASKHHEAGDHESAAHHAHTATGHLHQATQHGAEAAKAHAEEHGNKK- >SRR6516225_12260139 TMSIQAAEHHNKAAEHHDHAARHHREAAKHYQAGDHHLAAHHAQTASGHHQHAMHHANEAAKAHA-------- >SRR5262245_37247554 ASKHNEAEHHIKAAEHHEQAARHHREAAKHHEAGAHDKSAHHAHIAYGHTTHARQHAQEAGKAHADEHGHHA- >ERR1017187_10159119 CMSKQAIEHHRKAAEHHEHAARHHKEAAKHHEAGKHETAAHHAHLARGHHEHAMHHAAEAAKAHVEDHGGQ-- >ERR1039458_8411690 CMSKQAAEHHRKAAEHHEHAARHHKEAAKHHEAGRRGARRV-------------------------------- >SRR5580704_692809 SMSKEAVEHHKKAAEHHEHAAKHHHAAAEQHEAGNHEAAAHHAHVAHGHHSHATHHAGEASKHHAEAHSX--- >ERR1019366_8910956 CMSKQAAEHHRKAAEHHEHAARHHKEAAKHHEAGKHVTAAHHAHLARAHHDVATHHAVEAAKAHLEEHGKA-- >ERR1035438_7570652 KMSKKAAEHHRKAAEHHEHAARHHKEAAKHHDAGAHETAAHHAHTAHAHHEVATHHAVEAAKSHLEDHGKA-- >ERR1039457_5679623 -MSKKAAEHHLKAAEHHEHAARHHKEAAKHHQAGSHEKAAHHAHIARAHHEHADEHAIEAAKAHAEEHGNK-- >ERR1700704_2262512 -MSKKAAAHHKKSAEHHEHAARHHKEAAKHHDAGAHEKAAHHAHLAHGHSHEAMDEEAEAAKSHREEHGSK-- >SRR3974377_1513360 -KSHPAHAHHVKAAEHHEHAAKHHKEAAGHYAAGHHETAAHHAHSAHAHMLHATHHAGEAAKAHVAHHSQK-- >ERR1700753_3973459 -MSKTAADHHKKASEHHQHAARHHAEAAKHHEAGNHEKAAHHAHAAHGHTSHAREYGERASRAHSKEHGTK-- >SRR5262249_40564937 MTAHQGAEHHRAAAEHHAKAAHHHREAAKHHDDEDHTQAAHHAHSAHGHASHAAHHASEASKHHAEHHGDL-- >SRR5215831_3075836 MSEHQGAEHHRSAAEYHEKAAHHHREAAKYHEDGEHMQAAHHAHSAHGHSMHAAHHASEASKHHAEHHDDA-- >ERR1700681_3605376 MTAHKGADHHRSAAEHLENAAHHHREAAKHHDEGDHRQAAHHAHTAHGRATHAAHHSSEASKHHAERHGDI-- >ERR1700735_830787 LMSKHAVDHHHKAAEHHEHAARHHKEAAKHHEDGKHETAAHHAHLAHGHHEHATHHAIEAAKAHVEHHGX--- >SRR6202046_837085 LMSKHAVDHHHKAAEHHEHAARHHKEAAKHHEAGKNETAAHHSALARAHQHHASRHSEDW------------- >SRR5450432_1682947 YMPHQAAEHHHKAAEHHEYAARHHKEAARHHEAGKHETAEHHVHLANGHQQDAIHHAAEAVKVQIERP----- >SRR5579863_9408980 PMSHEAADHHHKAAEHHEHAARHHRDAAQRHKEGHHEGAAHHAHLAHAHHVHAVEHAEQAAKHHIEAHGS--- >SRR5579863_4526352 -MSKKAAEHHKKASEHHSQAARHHGEAAKHHEAGNHEKAAHHAHTASGHAAHARTHSEEAGKAHLEEHGKK-- >SRR5271165_3194793 -MSKKAADHHTKASEHHAEAAKHHSEAAKHHGAGHHEKAAHHAHTASGDASHARTHAEEAGKAHAEEHGKK-- >SRR5262249_11842710 -MSIKASEHHKKASEHHSRAAHHHEEAAKHHAAGHHEKAAHHAHSASGHATHARTHAEEAMKSHVEEHSKK-- >SRR5580658_11071561 -MSKKAAEHHRKAAEHHAQAAKHHDSAADSHEAGNHEKAAHHAQTARGHHKQAEEHSDEATKAHSSEHGHK-- >ERR1700761_2911494 -MSTKAAQHHKNPADHHTQAASHHTEAAKHHESGNHEKAAHHAHTASGHAHHATHHGEEAGKAHMEEHGKK-- >tr|I0IMJ9|I0IMJ9_LEPFC Uncharacterized protein OS=Leptospirillum ferrooxidans (strain C2-3) GN=LFE_0783 PE=4 SV=1 -SKMKPQEHHKEAAQHHEEAAKHHKEASKMYEAGDHKTAAHHAHSATGHASSAEEHQNEASRKHASLFGDK-- >SRR5215510_6524027 EMSKQAAEHHTKAADHHEHAARHHREAAKHHEAGNHEKAAHHAHVAHGHHLQALHHHEEAQSSISSITARS-- >SRR5580704_15507109 PMSQQSAEHHTKAAEHHEHAARHHREAAKHQTSGSHEKAGHHAHVAHGHHLHAIHHSEEAAKHHAEEHGSK-- >SRR5499433_4327306 PMSTKAAEHHEQAAAHHEHAARHHKEAAKHHKAGDHEKAAHHAHVAHGHHLQAIHHHEEATKFHLEHHGKK-- >SRR6516164_3912753 TMSKKAAEHHTKAAEHHEHAAKHHREAAKHHAAGHHEKAAHHAHVAHGHAHHASHHSTEAAKGHVEEHGHK-- >SRR5215471_1111430 PMSQKSAEHHTKAAEHHEHAARHHKEAAKHYAAGSHEKAAHHAHLARGHDLHADQHAEEAAKHHVEEHGSK-- >SRR5215467_15503710 PMSKQAAEHHTKAAEHHEHAARHHREAAQHHEDGDHETAAHHAHTAQGHLHHATHHAEEAAKQHVEHYGSK-- >SRR5580700_9320380 LPMNQPTEHHTKAAEHHEHAARHHKEAAKHQASGNHEKVAHHAHTAHGHHLQAAHHAEEAAKQHAVEHGSK-- >SRR6516225_9609087 SMPQKLKEHHTKAAEHHEHAAKHHRKAAEHHGAGKHELAAHHAHAAHGHHLHATHHASEAAKRHVELHGNK-- >SRR5580692_12958183 GMAKQIAEHHTKAAEHHEHAAKHHREAAKHHESGNAETAAHHAHLAHGHTQFANHHAGEAAKAHIADHSKT-- >SRR5580658_3666240 YMSHEAAHHHTKAAEHHEHAARHHHHAAKHHADGAHPDAAHHAPLAHGHHIHAAEHAEHAVKHHIEAHGEK-- >ERR1700679_1520425 LMSKQTAEHHTKAAEHHEHAARHHKEAAKHHEAGKVETAAHHAHLAHGHHQYASHHAGEAAKAHIEDSDKS-- >SRR5579863_67246 SMSKESAEHHSKAAEHHEHAARHHRAAAEHHEAGNHEKAGHHAHVAAGHHHQATHHAEEASKHHATAHGHH-- >SRR5262249_23440399 KCQSKQQNITLKLPNITSNAARHHKEAAKHHEAGNHEKAAHHAHVAHGHHLQAIHHHEEATKFHLEHHGKK-- >ERR1039458_5673656 DMSKAAAAHHLKAVEHHEHAARHHREAAKHHEAGNHEKAAHHAHLAHGHHLHATEYAGEAAKAH--------- >ERR1035437_7167454 DMSKQAADHHKQAAEHHEHAARHHQEAATQYEAGNHEKAAHHAHLAQGHHVHATEHAEHAAREHVEAHGAK-- >ERR1039458_9997194 SMSKEAPHHHTQAAEHHEHAAHHHHEAAKHHLEGNHEAAAHHAHLAHGHHIHAAEHAEHAAKQHIEAHGQK-- >SRR5262245_65951219 MAKHKGAEHLERAAEHHELAAHHHREAAKHYEAGNPEKAGNHEHIEHGDHLCVTYKAEGAGCTQRHDX----- >SRR5215470_17505878 MANHKGAEHHENAAEHHQLAAQHHREAAKHYESGNHEKAGHHAHIAHGHHVHATYHAEEASKSHATEHGGQ-- >SRR6266540_5162723 MAKHKGAEHHERAAEHHQLAAHHHREAAKHYEAGKPEKAGHHAHIAHGHHLHATYHAEEAGKRHATEYGGQ-- >SRR5215475_12112351 MAKHKGAEHHKRATEHHELSARHHREAAKHYEASDPEKAGHHAHIAHGHHLHATYHAEEAGKHHATEHSSQ-- >ERR1700694_1609601 MATHKGADHHRKAAEHHEHAAKHHHEAAKHHESGNHEKAGHHAHIAHGHTQHAAHHATEAAKHHSDEHGGT-- >SRR5579862_1684974 PMSKERAEHHRKAAEHHGHAAKHHLAAAEHHEAGNHEKAGHHAHVAHGHQLHAVHHAEEAGKHHANEHTHQ-- >SRR6266511_5188420 MAKHKGAEHHERAAEPHHPSAPPPREA---------------------------------------------- >tr|A0A2W5ZIQ4|A0A2W5ZIQ4_9BACT Uncharacterized protein OS=candidate division AD3 bacterium OX=2052315 GN=DLM66_00475 PE=4 SV=1 -MSKKAAEHHGQAADHHEKAAQHHRQAKTHHEAGDHQAAAHDAHTARGHHEHAAHHASEAAKAHAEEHGHK-- >tr|A0A1B9C1C9|A0A1B9C1C9_9PROT Uncharacterized protein OS=Acidithiobacillus ferrivorans OX=160808 GN=BBC27_06515 PE=4 SV=1 -SEMKLHEHHKEAAEHHEEAAKHHKEASKLYESGDHKGAAHHAHSSAGHSDYAREHESVASKKHAAMFGDK-- >tr|A0A2H9SEK4|A0A2H9SEK4_9GAMM Uncharacterized protein OS=Legionella sp. OX=459 GN=CK424_06600 PE=4 SV=1 -DKKKLHKHHLKAAEHHKKAAEHHSEAAKHHEAGEHEKGQASAYLALAHGRHAKDESCEACSHYAGIEVER-- >tr|A0A0C1UQR9|A0A0C1UQR9_9BACT Uncharacterized protein OS=Methylacidiphilum kamchatkense Kam1 OX=1202785 GN=A946_08515 PE=4 SV=1 -MADTVAEEHEKAAMHHEHAAVHYRKAAEHHRAGEHADSGHHAHIAHGHAKHAQAHAEAAAKEEANMHDKK-- >tr|A0A2W6AI54|A0A2W6AI54_9BACT Uncharacterized protein OS=candidate division AD3 bacterium OX=2052315 GN=DLM67_06925 PE=4 SV=1 -MSKEAAQHHQQAAEHHEHAGRHHREAAKAHEAGDHAKAAHHAHTARGHHEHASHHAAEAAKSHVEHHGHK-- >ERR1700726_61598 MS-KEISEHHHSAAKHHESAAYHHKEAAKHHEAGDHEKAAHHAHTAHGHASHAEHHHVEASRHHAEHHGQH-- >SRR5271165_3086472 MAQHKGADHHKQAAAHHRHAATHHEEAAKHHEAGDHEKAAHHAHAAHGHHLNAEHHTHEAAKHHATEHGGG-- >SRR5579872_1018840 RMSKESAQHHHQAAEHHEHAARHHREAARHHEEGNHEKAAHHAHTAQGHHHQAEHHAREAAKLHTEQHGQA-- >SRR5271157_582607 VMSKKAAEHHHKAAEHHEHAARHHREAAKHHEAGKHETAAHHAHLAHAHHEHAMHHAAEAAKAHLEDHGKA-- >ERR1700682_2320681 LMSMQAADHHHKAAEHHEHAARHHKEAAKHHEAGKHETAGHHAHLAHGHHQHAMHHAAEAAKAHIEHHSKA-- >SRR5262249_24366611 SMSKNATDHHNAAAEHHEMAAEHHRKAAEHHDDGNHEKAAHHAHVAQGHLHHATHHAAEAAKSHLEDHGKH-- >SRR5215469_175376 LMSKKAAEHHHKAAEHHEHAARHHKEAAKYHEAGKHETAAHHAQLANGHQQHAMHHAGEAAKAHIEDHGRA-- >SRR5580692_10590558 FMSKEASEHHQKAAEHHEHAARHHKEASKHHDAGKHETAAHHAQLARAHQHHAAHHSEEADKAHLEDHVKS-- >ERR1035441_3275339 LMSKKAVEHh-HKAAEHHEHAARHHKEAAKHHEAGKHETAAHHAHLARGRLRRCLLLSYIQL--SLPDPD-V-- >SRR5262245_3093639 HMSKKAAEHh-KKASEHLTHAARHHVEAAKHHEAGKHETAAHHAQTATGHAVHARGHAEEAVKAHAEEHGKK-- >ERR1700752_1174679 YMSKKATEHh-RKAAEHHELTARHHREAAKHHEGGRHETAAHHAHLAHGHHTYASHHAGEASKAHVEDHGSS-- >SRR6266705_6478280 RMAKQAAEHh-HKAAEHHEHAARHHKEAAKHYEAGKHETAAHHAHLAHGHLQHATHHAGEAAKAHIQDHGNK-- >SRR5215472_9654556 LMSKKAAGHh-LKAAEHHQLAAQHHREAAKHHQAGKHETAAHHAHLARGQDEHAMHHAAEAAKAHVDDYGKA-- >SRR5215472_7924964 TMSKKAAQHh-HQAAEHHEDAARHHKEEAKHHEAGKHETAAHHAHLARGHHEHAMHHAGEAAKAHIEDHGQA-- >ERR1035441_3624924 FMSKQAAEHh-HKAAEHHEHAARHHKEAAKHHEAGKHETAAHHAHLARAHHELATHHAAEAAKVHLEQYGKG-- >ERR1700677_2623774 SMSKQAAEHh-HKAAEHHEHAARHHKEAAKHHEEGRHETAAHHAHLAHGHHQHASHHAAEAAKSHVEHHGSA-- >SRR5271169_5745082 LMSNQAAEHh-HKAAEHHEHAARHHKEAAKHHEAGKPEAAAHHAHLAHGHHQHATHHAPEAAKAHIEDHGKS-- >SRR6202049_3772221 CMSKQAAEHh-HKAAEHHEHAARHHKEAAKHHEAGNHETAA-HAHLARGHHEHAMHHAAEAAKAPRLLGRGA-- >ERR1700690_1934298 PYVKESRRGpSQSRRASRTHAARHHKEAAKHHEAGKHETAAHHAHLARGHHEHAMHDAGEAAKAHVEDHGGQ-- >SRR6201997_5942927 MSDHAGVEHHHKAAEHHEHAARHHREAAKHHEEGNHETEPHHAHTPQGPSPHATHHATEAAKPHVEHHGQK-- >ERR1700683_5385528 PMAHPIAEHHKKAAHHHEHAARHHHEAAKHHEAGDHHKAGHHAHVAHGHHHQAMHHAGEAAKAHAEAHGKX-- >ERR1039458_1052396 DMSKEAAHHHKQAAEHHEHAARHHHEAAKHHEAGNHEKAAHHAHLAHAHHVLAAEHAENAAKEHLKAHGTK-- >ERR1035441_9756897 DMSKEAAHHHKQAAEHLEHAARHHHEAAKHHEAGNHEKAAHYAHLAHGHLVHATEHAENAAKEHVKSEE---- >SRR5271157_2981033 SMSKEAAQHHKQAAEHHEHAARHHKEAAKHHEGGNHEKAAHHAHVAHGHHAHATHHATEAAKAHVEAHGAK-- >ERR1039458_10647682 DMSKEAAHHHKHAAEDRKHAARHHNAA---------------------------------------------- >SRR5271165_3465347 DMSKQAAEHHKKAAEHLEEAAKHHVEAAKHHVEGVFDKAAHHAHSAHAHHVQAVEHAENAAKEHLKAHGTK-- >SRR5215469_13833100 DMSKQAAEHHKQAAEHLEQAAKHHVEAAKRHVEGVVEKAAHEAHLAHAHHVQAI------------------- >SRR5262249_28378874 VMSEDAAEHHRKAAEHHQHAARHHEQAAHHHEAGAHEKAAHHAHSAQGHSHHANHHAAEAAKAHTEHHGAKX- >tr|A0A142H9K5|A0A142H9K5_9BACT Uncharacterized protein OS=Hymenobacter sp. PAMC 26554 GN=A0257_23020 PE=4 SV=1 -MSKKAVDSHKKAATHHTEAAKHHTEAAKHHEAGSHEKAAHHAHTAAAHTDHAAEHATHARKSHAEEHGTK-- >tr|A0A1F3RER5|A0A1F3RER5_9BACT Uncharacterized protein OS=Bacteroidetes bacterium RIFCSPLOWO2_12_FULL_31_6 GN=A3K10_03545 PE=4 SV=1 --MKSVIEKHKKAASHLEEAAKCHQEAAKHHEAGSHEKAHHSSVKANGHSTHASELEREIQKHHVIASK---- >SRR5216683_1839118 VMSKQAAEHHKKAA--------------EHHEAGTHEKAAHHAHVAHGHALHARHHAEEAVKSHLEHHGKKX- >SRR5277367_3271760 MMSKKAAEHHKKASEQMTHAARHHGEAAKHHEGGLHEKAAHHAHTARAHAIHAQEHAENAVKAHADEHGKKX- >SRR5271166_5766653 HMSKKAAGHHKKASEHLTHAARHHGEAAKHHEAGSHEKAAHHAHLARGHIIHGRGHAEEAVKAHLEEHGKKX- >SRR5262245_78877 NMSKRAAEHHKKASEHLTHAARHHGEAAKHHDAGHHEKAAHHAHTAHGHAIHARGHAEEAVKVHVEEHGKKX- >SRR5215468_2014457 HRSKKAADHHKKASEHLTHAARHHGEAAKHHESGNHEKAAHHAHTASGHMIHARGHAEDAVKAHAEEHGKKX- >SRR6202158_2104302 HMSKKAAEHHKKAAEHHTHAARHHGEAAKHHEGGHHEKAAHHAHTARAHGLHATEHAEEAAKAHGTEHGS--- >SRR5215475_990513 PMSKKAAEHHKKASEHLTHAARHHGEAAKHHDTGNHEKAALHAHTARGHVVHATRHAEEAVMAHTDEHGKK-- >SRR5689334_9332785 VMSKKAAEHHRKASEHHTNAARHHGEAAKHHDVGNHEKAAHHGHTARGHAIEARTHSEDAVKAHTEEHGKKX- >SRR4029077_25657 QMSKKAAEHHKKVQEHLTHAARHHGEAAKHHESGQHEKAAHHAHVARSHVIHARGYAEEAVKAHHEEHGNKX- >SRR6476646_3723538 StRSGSMECLGLSDSEHLTHAARHHGEAAKHHEAGSHEKAAHHAHVARGHVIHGRGHAEEAVKAHLEEHGKKX- >SRR6516164_3211544 NrMSKKAADHHRKAAEYHTHAARHHGEAAKHHETGQHEKAAHHAHLARAHAIHARGHSEEATKAHHEQHGDKQ- >SRR6202048_2952714 AMSKKAAEHHKQSAEHHTHAARHHGEAAKHHEAGHHEKAAHHAHTARGHALHARHHSDQAAMVHMEEHGKNK- >SRR6202011_3428404 AMSKKAAEHHKQSQEHHTNAARHHGEAAKHHASGQHEKAAHHAHTARGHALHARHHSDQAAMAHMEEHGKKK- >SRR6516225_9485238 NrMSKKAADHHRKAAEYHTHAARHHGEAAKHHETGQHEKAAHHAHTARGHASHATEYAEEAAKLHAEEHGKKX- >SRR5665213_515099 AMSKKAAEHHRKASEHAAHAARHHGEAAKHHDAGHHEKAAHHAHSATGHASHARGHADEAARAHADEHGKKX- >SRR5215831_13043785 SMSKKAAEHHKKASDHHTHAARHHGEAAKHHETGHHEKAAHHAHTARAHAIHARGHAEQATVAHSEEHGK--- >ERR1700681_52020 KMSKKAAEHHHKASEHHTHAARHHGEAAKHHEGGHHEKAAHHAHTARAHAIHSRHHSEEAAKMHGEEHGKKX- >SRR6478672_3437904 AMSKTAADHHRKASEHSTHAAKHHGEAAKHHDSGQHEKAAHHAHTAAGHERQSREHADEAAKAHANEHGKKX- >SRR5207302_8234716 HMSKKAAEHHRKASEHHTHAARHHGEAAKHHDSGQHEKAAHHAHTAAGHAVHARQHADESRKAHTEEHGKKX- >SRR6202049_3861440 PMSKKAAEHHRKASEHLTHAARHHGEAAKHDDAGHHEKAAHHVHTARGHATHARGPAEEAAKAHTEEHGKKX- >ERR1700693_2890077 PMSKKAAEHHKKASEHLTHAARHHGEAAKHYDTGEHAMGAHHAHTARGHVVHARLHAEETVKAHVEEHGKKX- >SRR3984893_4017493 AMSKKAAEHHKQESEHLTHAAHHHGEAAQHHEAGNHEKAAHHAHTARAHVIHGRGHAEEAVKAHADEHGKKX- >SRR6266478_7429653 TMAE---NKPRQADLSARARKSDHGEAAKHHEAGNHEKAAHHAHTARAHIIHGRGHAEEAVKAHAEEHGKK-- >SRR5580765_1108604 SMSKKAAEHHKKAEEHHTQAAHHHGEAAKHHEGGRHEKAGHHAHTARGHSLHARDHSEEAAKAHMEEHGKKX- >ERR1700681_4628765 HMSNKAAEHHRKALEHLTRAARHHDETAKHYDTGEHAMGGHHAHTARAHMIHARGHAEEAVKAHAEEHGTKE- >ERR1700722_6390987 -MSKEREEHHLKAAEHHEHAAKHHRAAAEHHAAGDHETAGHHAHVAHGHHTHAEHHADEASKHSANHHAT--- >ERR1700691_1558590 -MSKERQDHHLKAAEHHEHAAKHHRAAAEHHASGNEEKAGHHAHVAHGHHAHATHHAE--------------- >SRR5580692_2709317 -MSKEREDHHLKAAEHHEHAAKHHRHAAEHHAAGDHEKAHHHAHVAHGHHIHAGHHAEEASKHTANHHSA--- >SRR5450755_2590302 -MSKEREEHHLKAAEHHEHAAKHHKMAAEHHAAGDHEKAHHHAHVAQGHKTHAEHHSDEASKHTANHVPT--- >SRR6516164_8547976 VMSKKAAEHHKKASEHHTHAARHHAEAAKHHEAGSHEKAAHHAHTARGHVAHARGYAEEAAKAHVEEHGKKX- >SRR6476661_1594845 QMSKKAAEHHRKAAEHSSHATHHHNEAAKHHEAGNHEKAAHHAHTARGHGAHVMHHADEAAKAHIEEHGKKX- >SRR5579883_2368435 SMSKKAAEHHGKAAEHHEQAAKHHKEAQKHHEAGNHEKAAHHAHTARGHHASAEHHGNEAAKAHADDHGKKX- >SRR5215831_19438088 -MAKNAVEHHEKAAEHHEHAARHHREAASHHESGDHQVAAHHAHVAHAHMLHASEHASEAAKAHAEAHGGQ-- >SRR3974390_1406771 -MATPAVEHHEKAPEHHEPAARHHREAAAHHESGDHEVAAHHAHVAHAHTLHASPHAAEAAKAHADAHGGQ-- >SRR3974377_1527111 -MATHAVEHHEKAAEHHEHAARHHPQAAAHHESGAHETAAQHGPVAPATHLYPLDHAAA-------------- >SRR3974377_2609624 -MATHAVEHHEKAAEHHEHAARHHREAAAHHESGAHEVAAHHTPFAPSHT----------------------- >SRR5262245_37694928 ---HKGSSHHETAAEHHETAAHHHREAAKHYEHFDHEKAGHHAHVAHAHGLHAAHHGHEAAKHHAQSHAEH-- >ERR1700738_4504323 ---HKGSSHHETAAEHHEKAAEHHRAAARHYGEDDHHKASHHAHLAHAHGLHATHHGHEAAKHHAEHHDEH-- >SRR6478672_11888828 ---HKGGSHHETAAEHHETAAHHHREAAKHYEHGDHEKAGHRPRGACAWTACDPSWarGRETPRGKPR----G-- >SRR5258707_6049855 ---HKGGDHHESAAEHHENAAHHHREAAKHYEAGDHEKAGHHAHVAHAHGLHASQHGEEAAKHHAEHHVED-- >SRR3984957_18403883 ---HTGSEHHETAAGHHESAAHHHREAAKHYEGGEPEKAGHHAHVAHAHRLHATHHAHEAANHHAERLAGQ-- >SRR6185312_2038455 ---AESHVHHAKAAEHHKKAAYHHEEASRHFRDDNPAKGAHHAQLAHGHGLHANEHANNASRRFGQDYAKD-- >SRR5215469_12611957 SMSKEAAEHHRSAAHHYEHAAQHHHEAAKHHEAGDHQAAAHHAHIAQGHQHHATHHATEAAKSHAEHHGQQ-- >ERR1700683_227600 SMSKQAAEHHHSAAEHHEHAARHHREAARHHEEGNHESAAHHAHTAQGHLHHATHHAAEAAKSHTEHHGHK-- >SRR5262249_30748479 MAQDKIVQHHHAAAEHPEHAAKHHREAAKHHEADSHEKAAHHAHSAHGHSEHAAHHAAEASKHHAEQHGDH-- >SRR5471032_1000550 MSKDKIVEHHQTAADHHEHAARHHREAAKHHEADSHEKAAHHAHTAHGHSSHATHHASEASKHHAEHHGQH-- >SRR5215475_7292062 MSKDKIVEHHHAAAEHHEYAAKHHREAAKHHESDHHEKAAHHAHSAHGHSSHAAHHA---------------- >ERR1700740_1508672 MSKDKIVEHHTAAAEHHEHAARHHREAAKHHGADSHEKAAHHAQSAHGHSAHAAHHAAEASKHHAEHHGTH-- >SRR5277367_3781890 FMSKQAAEHHHQAADHHEHAARHHKEAAQLHEAGSHELAAHHAHLAHGHHQHASHHAAEAAKAYIEHHAKA-- >SRR5580692_8293406 IMSKQAAEHHQKAAEHHEHAARHHKEAAMHHEAGKHEMAAHHAHLAQGHHAHATHHAAEAAKSHVEHHGKA-- >SRR5580698_9551526 VMSKVAAEHHHAASEHHEHAARHHKAAAKHHEDGKHELAAHHAHLAHGHHQHASHHAAEAAKAHIEHHKAA-- >ERR1019366_1648353 MPKHEGAEHHKKAAEHHEKAAQHHKEAAKHHEEGRHETAGHHAYVAHGHHLTAIQHSEEAAKYHSQQHGEKK- >SRR5580658_4588397 MPKHEGAEHHKKAAEHHEHAARHHKEAARHHEEGSHEKGGHHAHIAHGHHLHATHHAEEAAKTHSNQHGKES- >ERR1700683_1984599 VSKHEddkhqekaaehqekvalhhedkAAEHHEKAAEHTEKAAEHHKEAAKHHEEGHHETAGHHAHIAHGHHLNATYPSEETAKHHAQQHGEKK- >SRR5580704_7292703 MANHTGASHHHEAADHHEHAAKHHREAAKHHEAGDHVQAGHHAHIAHGHLTHATHHAEEAGKHHATEHGKS-- >ERR1041385_1551557 -MKHKGAEHHNKAAEHHEHAARHHREAAKHHEAGSHEKGGHHAHVAHGHMVQANEHTEEAAKSHMEHHGKK-- >SRR5262249_10445052 -MAHKGAEHHTKAAEHHEHAARHHREAAKHHEAGSHEKGGHHAHMAHGHSTHAHGFADEAAKHHAMEHGGG-- >ERR1700719_3807446 TMSKQAAEHHHQAAEHHEHAARHHREAAKHHEAGDHESAAHHAHSAHGHASHAEHHHHEASRHHAEQHGQHX- >ERR1700760_623008 TMSKQAAEHHTKAAEHHDNASKHHREAAKHHEAGNHESAAHHAHTAQGHLHQATHHAGEAAKSHADTHGN--- >ERR1022692_2998277 -MSKQAAENHLKAAEHHEHAARHHKEAAKHHQAGNHEKAAHHAHTAHGHEEHADHHAGEAAKAHAQDHGSK-- >ERR1017187_7576438 -MSKQAAEHHLKAAEHHEHAARHHKEAAKHHQAGNHEKAAHHAHTARAHHENAAHHAAEAAKAHLEHHGKA-- >SRR5262249_54984532 -MSEKAAEHHRKAAEHHEHAAKHHYEAARHHDDGAHETAAHHAHSAQGHAIHADHHSGEAAKAHTEHHGSK-- >SRR5580704_771817 MNHHEAAEHHNKAADHHEHAAAHHLKAAEHHVEENHEKAAHHAHIAHGHGLHAAHHAGEATKHHTDAHGGP-- >ERR1039458_7468520 MEHHEAAEHHRKAAEHHEHAAAHHREAAKQHEAGNHEKAAHHAYVAHGHGLHAAHHAGEATKHHSDTHGGP-- >ERR1039457_6746667 MNQKDAAEQHKKAAEHHEHAAAHHREAAEHHANGNHEKAAHHAHIAHGHGLHAAHHAGEATKHHANTHGGS-- >ERR1700722_3522043 MSDHKGADHHNQAAEHHEHAATHHRAAPRHHESGDHEKAAHHAHIAHGHGLHAAHHAGEATKYHADEHGGG-- >ERR1035438_4004146 MSTHTGAEHHEKAAEHHEHAAAHHREAAIHHESGDHEKAAHHAHIAHGHGlhaapharvasrprhhahiahghgLQAAHHAGEAAKHHADEHGGE-- >SRR3981081_3201937 PMSTKAAEHHEHAAAQHEHAARHHKEAAKHHKAGNHEKAAHHAHSARGHHEHAAHHASEAAKSHTEEHGHK-- >ERR1700720_4700009 TMSTQAAEHHEKAAEQHEHAARHHKEAAKHHKAGNHEKAAHHAHTARGHHEQATEHASAAAKSHVEHHGKK-- >SRR5450759_1153254 LMSKKAAEHHRKAAEHHEHAARQHKEAAKHHDAGAHEKAAHHAHIAHAHHLHATHFADEAAKAHAEEHGSK-- >SRR5476649_602780 LMSKEAADHHRKAAEHHEHAARHHKEAAKHHDAGAHEKAAHHAHIAHAHHLHAEQHAGDAAKAHAQAHGTK-- >SRR5260370_9889087 PVSTKAAEHHEHAAAQHEHAARHHKETPKHQKAVRHEKAAQHAHTASGHAEK--------------------- >SRR5215471_19435997 PMSTKAAEHHEHAAEQHAHAARHHKEAAKQHKAGHHEKAAHHAHTACGHHEHATHHATEAAKAHTEEHGHQ-- >tr|A0A2M6XEG2|A0A2M6XEG2_9RHIZ Uncharacterized protein OS=Methylobacterium sp. CG09_land_8_20_14_0_10_71_15 OX=1975532 GN=COT56_21735 PE=4 SV=1 --KHPGADHHHKAAEHHEHAARHHREAAKHHEGGHHEKAAHHAHSAQGHAHYATHHGSEASKHHAEHHGKG-- >tr|A0A1I4D138|A0A1I4D138_9RHIZ Uncharacterized protein OS=Methylocapsa palsarum OX=1612308 GN=SAMN05444581_1317 PE=4 SV=1 --PTKIAEHHTQAAQHHEKAAEHYKEAAKHHETGAVEKGAHHAQVSQGHAVHAEYHADEAAKAHAQHHANK-- >SRR6516162_2577000 LMSKKASEHHKKASEHHSHASRHHEEAAKHHEAGHHEKAAHHAQTAMGHAIHARTHSEEAVKAHAEEHGKK-- >SRR5262249_44780301 LMSKKAAEHHKKAAEHHSHAARHHEEAAKHHAAGHHEKAAHHAHTASGHASHARGHAEEAMKSHAEEHGQK-- >ERR1700686_4403266 PMSKKAAEHHKKAAEHHTHAARHHEEAAKHHEAGQHEKAGHHAHTARGHALHARHHSDEAAKSHMEEHGKK-- >SRR5215471_16139522 AMSKKAAEHHKKASEHHTHAARHHAEAAKHHEGGHHEKAAHHAHTARAHATHARDHSEEAVKAHAEEHGKK-- >SRR2546421_8056338 PMSKKAAEHHKKASEHHTHAARHHDEAAKHHEAGHHEKAAHHAHTARGHASHTRHHSEEAARAHAEDHGKK-- >SRR6516162_7817916 PMSKKAAEHHKKASEHHTHAARHHGEAAKHYEAGQHEKAAHHAHTARAHAIHARGHSEEAAKAHHEDHGNK-- >ERR1700732_5276201 HMYKKAAQHHKQAAEHHTHAARHHGEAAKHHEAGHHEKAAHHAHTAAGHATHSRHHSEEAAKMHTEEHGKK-- >ERR1700721_288514 PMSKKAAQHHKQAAEHHTHAARHHGEAAKHHEAGHHEKAAHHAHLVRGTVLKGRGTLKGGWRATSE------- >SRR5579872_3850512 -MSKKAGEHHQKAAEHHEHGARHHKGAAKHHQAGSYEKAAHHAHIARAHHEHAHEHAIEAAKAHAQEHGSD-- >SRR5487761_2742555 -MSKQAAEHHLKAAEHHEQAARHHKEAAKHYQAGSYEKAAHHAHTACGHEEHAAFHSGEAAKAHAQEHGN--- >ERR1700730_7170546 -NKHAATEHHLKAAEHHEHAARHHREAGKHHEASNHEKAAHHAHTAQGHMTHAHHHAGEASKHHLAHHGDK-- >ERR1700748_2579388 -MTKEAANHHSKAAEHHENAAKHHREAGKHHEAGDHEAAAHHAHTAQGHTANASHHADEAAKLHTQHHGNK-- >SRR5580698_5335757 -MTKEAANHHNKAEEHHENAARHHREAGKHHEAGDHESAAHHAHTAQGHTQHATHHAGEAAKLHTEHHGKK-- >SRR5258705_12432272 MDATKLAEHHEKTAEHHQKAAEHHRHAAQHHQQQDHEKGAHHAHLAYGHHLHATEHAEQAAKTHAEGQT---- >ERR1035438_1862924 -MHHEAAEHHRKAAEHHEHAAAHHREAAAHYEQGNHEKAAHHAHIAHGHGLQASHHADEASKHHTSSHGGA-- >SRR5580698_7177634 -MSQERIDHHRKAAEHHEHAATHHNAAADHHEAGDHEKAGHHAHIAHGHTTHAAHHAAEASKHHANEHTGE-- >SRR5208283_4889738 -MSKEAADHHRKAAEHHEHAAKHHHAAAHEHEAGNHEKAGHHAHLAHGHHALATHHAEEASKHHVTEHGHH-- >SRR5580704_6446761 -HMSEHADHHRKAAEHHEHAAKHHRAAADHHESGDHEKAGHHAHVAHGHTVHAAHHAEEASKHHANDHGHH-- >SRR5262249_53837718 MTMHKGAGHHRSAAEHHEKAAHHHREAAKHHDEGDHHRAAHHAHAAHGHATHAAHHGGEASKHHAAEHGDP-- >SRR5262249_3839383 MKEHKGAEHHRSAAEHHEKAAHHHHEAAKHHEDGDHKSAAHHAHTAHGHATHAAHHSSEASKHHAETHGDH-- >ERR1700676_1561084 LMSQEAAEHHRKAAEHHEHAARHHEEAAKHHDAGSHEKAAHHAHTAHGHHLHATHHAGEAVKTHADEYGSK-- >SRR5271156_6624548 MADHKIHEHHEKAAEHHEHAAKHHREAAKHHKAGAHEKAAHHSKIAHGHHLHATEHHEHASKKHAGDHGDA-- >SRR5580704_6068697 MHEHEIHEHHEKAAEHHEHAAKHHREAAKHAKAGDHEKAAHPSKVAHGHSLHATEHHEHASKKHADQHSXX-- >ERR1700734_3267748 MPEHDIHEHHEKSAHHHDQAAKHHREAAKHHKAGHHEKAAHHSKVAHGHSLHATDHHHHASKKHAEHHSX--- >SRR5271170_1512638 ENGHDIHQHHEKAADHYEHAAKHHREAAKHHEAGDHEKAAHHSKVAHGHALHAEEHHGHASKMHAEQHGX--- >SRR5579863_3905028 MSGHGIHEHHEKAAEHHEHAAKHHREAAKHHQSGNPEKAAHHSKIAHGHALHATEHHAHASKMHAEHHGX--- >SRR6202050_2286552 IMDQDIHKHHEKAAHHHDDAAKHHREAAKHHKSGHHEKAAHHSKVAQGHSLHATDHHHHASKKHAEHHGX--- >SRR5208282_1032254 MNSHEIHEHHEQAAHHHEEAAKHHREAAKHHEAGHHEKAAHHSKVAHGHSLHATEHHEHASKKHAEQHSX--- >ERR1700745_4273030 LHDNEIHEHHEEAAHHHEQAAEHHREAAKHQKDGDHDKAAHHSKVAHGHHLYATEHHDEAAKLHAEAHGDD-- >SRR5271154_267655 MNSHEIHDHHEIAADHHDHAAKHHREAAKHAKAGDHEKAAHHSKVAHGHSLHATEHHDHASKKHAEQHGXX-- >ERR1700733_2112371 -LRRAAKCRLELAADHHEHAAKHHREAAKHAKSGDHEKAAHHSKVAHGHSLHATEHHEHASKKHADQHSX--- >ERR1700691_6755303 MDEHDIHEHHEKAAEHHEHAAKHHREAAKHAEAGDHEKSAHHSKGARGHSLHPNAHHNEAPKKPAVQHGX--- >ERR1035437_7181262 SMSKEAALHHTQAAEQHDLAARHHREAAKHHIAGNHEKAAHHAHLAHGHHVLATEHAENAAKEHVKAHGTK-- >ERR1017187_4718788 AMSKEAAHHHTQAAEHHENAARHHREAAKQHLAGNHEKAAHHAHLAHGHHFLATEHAENAAKEHVKAYGAK-- >ERR1035437_5215839 SMSKEAAHLHTQAAEHHDHAARHHREAAKHYLAGNHA------------------------------------ >SRR5208337_5201425 YMSHEAAEHHTKAAEHHEHAARHHHAAAKAHSEGNHEKAAHHAHLAHGHHAHAAEHAEHAAKAHIEAHGEK-- >SRR5438132_4014951 HTEHPATEHHRKAAAHHEEAAKHHRAAAQAHSQGDHEKAAHHAHLAFGHHVHAAHHMQEAAKKHTEHTSAV-- >SRR6202021_2491305 TMSKEAAHHHTQAAEHHEHAARHNHEAAKHHQDGDHEAGAHHAHLAHGHHIQATEHAEHAAKHHVEAHGEV-- >ERR1700744_918969 TMSKEAAHHHTQAAEHHEHAARHHHEASKHHEAGQHEKAAHHAHLAHAHHVHAADHAEHAAKKHIEAHGAK-- >SRR5476651_2291918 MSKDKIVDHHNAAAEHHEHAAKHHREAATHHEADNHEKAGHHAHSAHGHSSHATHHAGEASKHHAEHHGKH-- >SRR5256885_10433591 MAKDKIIEHHNAAAEHHEHAAKHHREAAKHHEADSHETAAHHAHSAHGHSAHAAHHATEASKHHAEHHGKQ-- >SRR5215470_13748103 MSKAKIVEHHTSAAEHHEQAASHHREAAKHHQADDHEKAGHHAHTAHGHATQAAHHGGEASKHHADMHGKK-- >SRR5262249_5909060 AMSKDAAEHHKHSAEHHTQAAHHHAEAAKHHESGHHEKAAHHAHSANAHALHARHHAEEAAKSHMNEHGKK-- >ERR1700674_4915123 MAKKEHKEHHEAAAEHHESAAEHHREAAKHYEVGHHEKAAPHAHLAHGHGVHATHHAQEAAKHHVEHHDDD-- >SRR5476649_712169 -SHEKKLEHHHKAAEHHDHAARHHREAAEAHHAGNHEKAAHHAHVAHAHHLHAEHHGDEAGKLHAEHHGEA-- >ERR1700677_2502920 -SHEKKIEHHRHAAAHHEHAARHHHAAAEAHTAGQHERAAHHAHIARAHHLHAEHHGDEAGKLHAEHHSHE-- >SRR6516164_10081394 VMSKKAAEHHRKAAEHHTHAAHHHGEAAKHHDSGHHEKAAHHAHTAGGHALHAREHSEEASNAHMEEHGKKX- >SRR5215813_15420037 AMSKKSAEHHKKASEHHTHAAHHHVEAAKHYEGGDHEKAAHHAHTARGHATHAAHHSEEAVKAHAEEHGKKX- >SRR6516162_3769719 LPSATPAEPHKNAAQHHTEAARHHGEAAKHHESGQHEKAAHHAHTAGGHATHARHHAEEASRAHVEEHG---- >SRR2546423_2679145 ---HKGGSHHELAAEHHETTAHHHREAAKHYGHGDHDKAGHHAHVAHAHGLHATHHGQEAAKHHAEHHEE--- >ERR1700682_6433899 ---HKGGSHHETAAEHHENAAHHYREASKHYDSGDHEKAGHHAHPAHAHRLPPTHH----------------- >SRR5262249_7960664 ---HKGGGHHEIAAEHHETAAHHHREAAQHYESGDHETDGHRAHVAHAHGLHATHHGHEAAKHHAEHHKX--- >SRR5262245_44145014 ---HKSGSHHEMAAEHHETAAHHHREAAKHHETGDHEKAGHHAHMAHAHELHATHHGHEAAKHHAEHHEE--- >SRR5215469_11644734 ---HKGGTHHELAAEHHETAAHHHREAAKHYESGDAEKAGHHAHVAHAHELHATHHGHEAASITPSTISK--- >SRR5215471_6019152 ---AKGHDHHASAAEHHEHAAHHHREAARHYEAGDHEKAGHHAHVAHAHELHAIHHGHEAAKHHAEHHEX--- >ERR1700730_10676216 ---HKGGSHHEVAAEHHENAAHHHREAAKHYDSGEHEKAGHHAHVAHAHGLHASHHAHEATKEHAEHHAG--- >SRR5271163_3974060 MSKAKIAEHHRKAAEHHEKAAAHHHKAAEHHDDEDHMMAAHHAHVAHGHHHHATHHAAEAGKLHAEHHAD--- >ERR1700691_908072 MKSHELAEHHEKAAHHHAQAAEHHRHAAQHHKGGDTHKATHHAHTAHGHHLHAAHHASEAGKLHAQHHAD--- >ERR1039458_5453327 -MPKEAADHHLKAAEHHEHAARHHKEAAKHHNAGVHEKAAHHAHTAHAHHLHATHFADEAAKASCRER----- >SRR5882757_11516447 MTNHKGAEHHRSAADHHEKAAQHHRDAARHHDDGDHGRAAHHAHTAHGHATHATHHGSEASKHHAENHG---- >ERR1700759_3684327 MSSHKGAEHHRSAAEHHENAAHHHREAAKHHDSGDHHRAAHHAHSAHGHATHAAHHGSEASKHHAEKHA---- >SRR6267154_2535493 MTNHKGAEHHRSAADHHKKAAQHHRDAARHHDDGDHGRAAHHAHTAHGHATHATHHGSEASKDHAENHG---- >ERR1700681_2967493 ---HKGANHHDVAAEHHENAAHHHREASKHYDTGEHEKAGHHAHVAHAHGLHATHHAHEAAKHHAEHHA---- >SRR4249919_3050305 LMSKKAVDHHKGASEHLTHAAKHHDEAAKHHESGNHEKAAHHAHTARGHALHARHHSDEAAKAHMEEHGKKX- >SRR5215469_8883529 AMSKKAAEHHKQAAEHHGHAARHHGEAATHHEAGRHEQAAHHAHTARGHAAHATEHAEHAAKAHAEEHGTKX- >SRR5215472_6198358 LMSKKAADHHKKASEHLTHAARHHTEAAKHHEAGDHEKAAHHAHTARAHAAHARDHSEEAAKVHLGEHGKKX- >ERR1017187_7736977 AMSKKAAEHHKQSAEHHTHAARHHGEAAKHHEAGHHEKAAVCTENLNPNVLTMKSAQYDAR---IYDARSLN- >SRR5580704_12853319 SMSKPAADHHMKAAEHHEEAAKHHRAAAEHHTAGDHQKAGHHAHVANGHHVNAVHHAEEASKHHATDHS---- >ERR1019366_5760491 --PRSGAQHHDAAAQHYEEAARHHRMAAKQYQASHHEKAAHYAQLAYAHHMYAEQHAAEAAKAHAKNHG---- >ERR1700693_4750673 --PITEEEHHEAAAQHHEQAARHHRVAAKQDHAGNHEKAAHYAHLAYAHHVQAEQHAAEAAKAHAKSHN---- >ERR1700730_12173117 MSAHKHKEHHEAAAKHHEHAAHHHQEAAKHYASGHHEKAGHHAHTAHAHGAHATHHAHAAANINVEHHGEK-- >ERR1700694_6071327 MSAHKHKEHHEAAAKHHEHAAHHHQEAAKHYASMACMRRTTRMKPRSTMsSIMARS---KSARX---------- >SRR5580693_4924512 AMRKAHHEHHANAAEHHEHAAHHHREAARHYESGEHEKAGHHAHVAHGHGVHATHHAHEAAKHHAEHHSED-- >SRR5437016_8712387 EMSKQAAEHHIKAAEHHEHAARHYKEAAKHHEAGNHEKAAHLAHVAHGHHLHATHHRSEERRVGKECRSRW-- >SRR5579883_1766477 MTKQHIAEHHRKAAERHEKAAHHHRMAAEHHDDEDHVTGAHHAHVAHGHHLHATHHATEAGKLHVEHHGHH-- >ERR1700722_7570681 -MAKQTAEHHTRAAEHHGHAQKHHQQAAKHHESGNHEKAAHHAQVAQGHQTQAMHHANEAAKSHTEHHGSKE- >ERR1700743_30692 -MAKQTAEHHTRAAESHGHAQKHHQQAAKHHTAGNHEKAAHHAHLASSHEEDARTPSVNTRKSHKDTYGDKE- >SRR5580700_2371651 AMSKEAAHHHSKAAEHHELAANHHREAAQHHEDGDHQAAAHHAHVAQGHQAHATHHASEAAKHHVEAHGDKX- >SRR5579863_5227466 IMSKEAAHHHSQAAEHHEHAANHHKEAAKHHEAGDHEAAAHHAHVAQGHHAHATHHATEAAKHHVQAHGDKX- >ERR1700689_4571874 -MAHKGAEHHHQAADHHEAAAKHHREAASHHEAGNHESATHHAHVAHGHALHATHH----------------- >ERR1700688_3733124 -MSKEAAGHHYKAAEHHEHAAKHHRAAAEHHEAGDHQKAGHHAHVAHGHTVHAS------------------- >SRR5277367_1853101 -STHSAHEHHAKAADHLEQAAHHHREAAAHHESGDAATAGHHAHVAAGHTAHA-------------------- >ERR1700761_4254522 SMSKQASEHHNLAAEHHEHAARHHRDAAKHHKAGDHEKAAHHAHVAHGHHLHATHHATEAAKHHVEAHGEK-- >ERR1700727_2977704 SMSKQASEHHNLAAEHHEHAARHHRDAAKHHEAGDHEKAAHHAHVEHGHASHAEHHHTEASRHHAAHHGQH-- >ERR1700731_2030917 -PDPSIHEHHEKAAHHHDQAAKHHREAAKHHKAGAHEKAAHHSKIAHGHHLHATEHHEHTSKLHAEKHGS--- >ERR1700743_1236405 -SMEEIHEHHEKAAHHHEQAAKHHREAAKHHQAGSPEKAAHHSKIAHGHASHATEHHEHASKLHAEDHGX--- >ERR1700756_1994461 -HDSDIHEHHEEAAHHHEQAAKHHREAAKHHKAGHHEKAAHHSKVAHGHHLHATEHHEEAAKLHAEAHSD--- >SRR2546423_14472982 -AEHEIHEHHEKAAHHHEQAAKHHREAAKHHKAGSHEKAAHHARIAYGHRLHAAEHQDHAAKMHAEEHSX--- >ERR1700680_2379019 -MSKKAAEHHRKASEHSTQAAKHHTEAAKHHDAGQHEKAAHHAHTAGGHERHSRTHSDEAAKAHADEHGKK-- >SRR6476659_3824902 -MSKKAAEHHRKASMHSGEAAKHHDQAAKQHEAGQHEKAAHHAHTATGHERQSRMHADEAAKAHADEHGKK-- >SRR4029079_3412719 -MSKKAAEPHTKESMHTGEDANHHDQAAKHHEAGQHEKAAHHAHTATGHERHSRMHADEAAKAHADEPAKK-- >SRR5438477_9761204 MPKHEGAEHHKKAAEHNEHAARHHKEAARHHEEGSHEKVGHHAHIAHGHHLHATHHAEEAAKTHSNQHEKEN- >SRR5580704_1157045 MPKHDSPEheekvakhqdkladhheekateHHEKAAKHHDKAAQHHREAAKLHKEGDHETAGHHAHIAHGHHLNATHHSEEAAKSHAQQHGEK-- >SRR6266571_3990511 MAGVSSTDHHTKAAEHHEMAAKHHRAAAEAHSKGDVATAAHHAHLAHGHHSHATHHMEEAAKKHTEH------ >SRR6266567_3749516 MAGHSSVDHHTRAAEHHEMAAKHHRAAAAVHAKGGIVEAAHHAHLAQGHHAHATHHMEEAAKMHTEH------ >SRR3984957_15754445 MTEIKIHEHHEQAAQHYEHAAKYHREAAKHHKAGNHEKAAHHARIAFGHYLEAAEHQNNAARQHAKEHSX--- >ERR1700730_3219255 MKEYKIYEHHEQAAQHYDQAAKYHREAAKNHNAGNHEKAAHHARIAFGHYLEAAEHQNNAARQHAKEHSX--- >SRR5208283_1776841 LHEHDIHEHHEQAAHHHEHAAKHHREAAKHHKAGDHEKAAHHTKVAHGHHLHAVDHHEHASKMHAEEHGE--- >ERR1035437_8645898 -MSKKAAEHHKKASEHLTLAARHHGEAAKHYEAGAHEKAAHHAHIARGHAILARGNAEEAVKAHVEEQAKN-- >ERR1700693_1544462 -MSKKAAEHHKKASEHLTHAARHHGEAAKHHEAGAYEKAAHHAHAARGPGNSRSGTRX--------------- >SRR4029077_4859853 -MSKKAAEHHHQAAEHHEHAARHPRDAARHYEAGDHETAAHHAHTAQGHLHHATHHSTEAAKQHAEHHGQK-- >ERR1017187_6129136 KMSKKAAEHHRKAAEHHEHAAHHHKEAAKHHDAGAHEKAENHAHRAHAHHLHVTHHYEE-------------- >SRR5215472_2424335 AMSKKSAEHHTKAAEHLEHAAHHHKEAARHHEAGAHEKAAHHAHIAHAHHVHSHHHADEAAKSHLEDHGKL-- >SRR5450756_2276617 LMSKKAAEHHRKAAEHHEHAARHHKEAAKQHDAGAHEKAAHHAHIAHAHHGGKTTPLTYAVP----------- >SRR5208283_368143 MAQHSGSGDHREAAEQYELAARHHREAAKAHDLGNHEKAGYHAYVAHAHHTLATQHAEEAMKHYATSHA---- >ERR1700723_380338 MS-HSGSHHHREAAEHYDQAAKHHREAAKHHDAGHHEKAGYHAYVAHAHHTFAAQHAEEAEKHYATAHA---- >ERR1700689_1737127 MAQHSGSHHHREAAEHYDQAAKHHREAAKHHDAGSHEKAGYHAYVAHAHHTFAAQHAEEAEKHYAPSHA---- >SRR5215467_2810391 -MSTKAAEQHDRAAEHHEHAARHHKEAAKHHKAGNHEKAAHHAHSARGHHEHAAQHGAEAAKAHTEEHGHQ-- >SRR5450830_554856 TMSKKASEHHRKAAEHHKLAATHHEEAAAHYDKGNHEKAAHHAHVAHGHTLHATHYAAEAAKMHVEEHGSKK- >ERR1017187_7609860 ---NKKIDHHRHAAAHHEHAARHHHAAAEAHASGLREKAGHHAHVAHAHDLHAQHHDDEAAKLHAEHHAGEP- >ERR1700677_4341665 ---QKRIEHHQHAARHHEQAATHHHAAAEAHSAGHHEKADHHAHVAHAHHLHARHHGDEAAKLHAEHNAHED- >SRR5262249_39732114 QMSKKAAEHHKKAQEQHSHAARHHGEAAKHHEAGHHEKAAHHAHIARAHAIHARHYSEEATKAHGEEHGDK-- >SRR5215467_6832124 PMSSHAVDHHRKAAEHLEHAARHHQEAANHHEAGHHEKAAHHAHLARAHAIHARGYSEDATKAHHEDHGNK-- >SRR5215470_12036960 QMSKKAAEHHKKASEHHEHASHHDAEAAKHHESGHHEKAAHHTHTASGHAIHARHHSEEAGKAHAEDHGHK-- >ERR1700759_5669011 PMSKSAADHHKKAAEHHQHAAKHHTEAAKHHEAGHHEKAAHHAHVAHVHSSHAQEHHEHASRAHGEEHGSK-- >SRR3982074_501293 --THQGGEHHETAADHHESAAHHHREAAKHYESGDHEKAGHHAHVAHAHGLHATHHGHEAAKHHAENHKYP-- >SRR5215467_6148838 --AHKGGSHHELAAEHHETAAQHHREAAKHYEAGDHEKAGHHAHVAKAHGLHATHHGHEAAKNHAEHNESA-- >SRR5215813_14120567 --THKATSHHETAADHHEAAAHHHRAAAKHYESGDHEKAGYHAHVAHAHGLHAAHHGQEAAKHPAEHHAEH-- >SRR5262252_190131 --SHKGGDHHETAAEHHEEAARHHREAAKHYEDGDHHKAGHHAHLAHAHGLHATHHGHEAAKHHAEHHADH-- >SRR5215471_20087447 --THKGGSRHETAADHHETAAHHHREAAKHYESGDHEKAGHHAHVAHAHGLRPIMGKRPRSITPNI------- >ERR1700688_719809 --SHAGSEHHETAADHHESAAHHHREAAKHYEGGEPEKAGHHAHVAHAHGLHATHHAHEAPKHHAEHHPEE-- >SRR5215467_15706025 ----AKHEHHEKAAHHHEQAAKHHREAAKHHQAGNHEKAAHHSKIAHGHHLHAGEHHDHA------------- >SRR5215471_17268835 ----TIHEHHEKAAEHHEHAARHHREAAKHAQAGHHEKAAHHSKIAHGHSLHAAEHHQHA------------- >SRR6202051_5226611 ----TIHEHHEKSAHHHEQVAKHHREAEKHHKAGDHEKAAHHSKIAHGHHLHAVEHHDTA------------- >SRR5580700_691679 -MSQKGVDHHLKAAELLEHAAKHQRSAAKYHGSGEFEKAAHHAMISHGHLVHAMEHVEGASKHVAENHDS--- >SRR5271154_6203042 -MSQKGVDHHLRAAELLEHAAKHHRTAAKHHETGEFEKSAHHAMVAHGHLVHAIEHVQEASKHHAFEHDT--- >ERR1700692_4913725 -MSQKGVDHHLKAAELLEHAAKHQRSAAKHHGAGAVEKAAHHAMISHGHLVQASEHIEGASKHQTESHDS--- >SRR5947209_798729 -EHLTGTERHLAAADHHERAASHHRDAAKHYAEKDFARAAHQALIAHGHMQQAVWHANEATKYHIEHHSN--- >SRR5580704_13162530 -----ASKHHHDAAEHHEKAAHHHREAAKHYEEDESETAAHHAHTAAGHGAHASHHTTEAAKLHTQHHGX--- >ERR1700743_439014 -----ASKHHHDAAEHHEKAAHHHREAARHYEEDDTEGAAHHAHSATGHGTHAHHHASEAS------------ >SRR5580658_837536 -----ASKHHHDAAEHHEKAAHHHREAAKHYEEEDADAAAHHAHTASGHGHHAHHHAAEASKAHAEHH----- >ERR1700691_3551227 -----ASQHHHDAAEHHEKAAQHHREAAKHYEDEDHDAAAHHAHSASGHGHHANHHAAEARQPHPQHHGP--- >SRR5258706_712044 ---HPSHDHHMKAAEHHEHASKHHKEAAAHHASGHSEKAAHHAHTAHAHTLHAAHHAGEAAKHHVTHKK---- >SRR5215472_8550299 ---HPAQEHHTKAAEHHEHASKHHKEAATHYAAGAHEKAAHHAHSAHAHALHAAHHAGEAAKHHTSHHA---- >ERR1700689_759555 ---HPAHEHHLKASEHHEHASKHHKEAAGHHAAGHHEKAAHHAHTAHAHTLHAEHHASEAAKHHVSHKK---- >SRR5271157_4256807 ---HPAHEHHVKAAEHHEQAGKHHKEAAAHYASGDEAKAAQHAHTARAHTLHAEHHAGEAAKHHVSHKK---- >ERR1700730_16246211 VMAHKGAEHHKKAAEHHTHAAHHHREAAKHHEAGTSEKGAHHAHAAHGHTTHARHHADEAAKHHADEHGHS-- >ERR1700730_11984108 VMAHKGAEHHKKAAEHHAHAAHHHREAAKHHEAGTTEKGAHHAHAAHGHTLHARHHGDEDGKAL--------- >SRR5664280_462104 SMSKKAAESHKKVSEHLTHAARHHTEAAKHHETGQHEKAAHHAHIARAHATHAREHSENAAKSHLEEHGKK-- >SRR5450759_554306 SCLRKPQRRIKKASEHLTHAARHHTEAAKHHETGQHEKAAHHAHIARAHATHAREHSENAANTKSRYPQPI-- >SRR5512139_3675460 VTSKKAAESHKKASEHLSHAARHHTEAAKHHEAGQHEKAAHHAHTARAHATYAREHSENVAKAHSEGIKX--- >SRR5262249_4493708 ----PASTHHHAAAEHYEKAAHHHRLAARLYEDDESGMAAHHAQSAAGYSAQAAHHSAEASKLHAHHHGEE-- >ERR1700759_2735061 ----PASTHHHAAAEHHEKAAHHHRQAASHYEDNDSDTAAHHAHSATGHGAHAAHHGAEASKLHAHHHGEE-- >ERR1700733_7137713 ----PASTHHHAAAEHHEKAAHHHRMAAKQYEDERAEAAAHHAHTASGHGAHAAHHSAEASKLHAHHHAEE-- >SRR5277367_858819 ----PVAEHHHAAAEHHEHAARHHREAAKHYEEDDAETGAHHAHTASGHGAHAAHHAVEASKLHAHHHGSE-- >SRR5215472_5482998 TMSHATIEHHRKAAEHHEHAARHHREAAARHESGDHHTASHHALIAQGHLHHATHHTSEAAKHYANSHTEY-- >SRR5262245_47040845 PMSKKAVEHHRKAAEHSSHAEHHHNEAAKHHEAGHHETAAHHAHTARGHVVLTLHHAQEAAKAHAEEHGKK-- >ERR1700722_17094089 AMSKKAAEHHKKAAEHATHAAHHHTEAGKHNDAGHHEKPATHADPAHGDASHARHHAEEAARAHTEEHGKK-- >SRR5208282_3791820 -------DAHNKAAEHHENAAKSHRMAAEQHRKGEHEKGREHASQARAHSKTAHEHSETA------------- >SRR6266481_543054 -HVEKGCGTPQKASEHLTHAAHHHGEAAKHHEAGHHEAAAHHAHTAHGHAIHARGDAEEAVKAHVEEHGKKX- >SRR5258706_4967713 -HVEKGCGTPQKASEHLTHAAHHHGEAAKHHEAGLQIPVHRG------QSFRRIADSVPVIADSFRX------ >SRR4029077_733555 -LPLIWSPLHKKASEHLTHAARHHGEAAKHHEAGNHEKAAHHAHTARGHATHARGHAEEAAKAHTEEHGKK-- >SRR5471030_639260 -MSKKAAEHYKQSVEHHTHAARHHGEAAKHHEAGQHETAAHHAHTARGHATYARGHAEEAVKAHTEEHGKKX- >tr|A0A1H5INE7|A0A1H5INE7_9RHIZ Uncharacterized protein OS=Rhizobiales bacterium GAS191 GN=SAMN05444161_5687 PE=4 SV=1 -MSKKAAEHHKKAAEHATHVARHHGEAAKHHEAGHHEKAAHHAHTAMGHAFHARGHAEEAAKAHAEEHGKK-- >SRR5260370_6339496 -HVEKRLRDTTKKLQNISRMRRItMGRLPSIMRLDTTKQRHTTLAPRHGHAIHATGHAX--------------- >tr|A0A225DK00|A0A225DK00_9BACT Uncharacterized protein OS=Fimbriiglobus ruber OX=1908690 GN=FRUB_09278 PE=4 SV=1 -MSKKAAESHKKAAESHKKAGEHHEQAAKHHEAGNHEKAAHHAHTAKGHQTHAERHTNDAAAHHAEEHGAK-- >SRR5262245_23436742 --PHSGRDHHETAAEHHENAAHHHRQAAKHYETGDPEKAGHHAHLAHGHGVHATHHAHEAAKHHAEHHGNH-- >SRR5208283_915204 --SHKGSHHHKAAAEHHSKAAHHHSKAAEHYEEGDHEKGGHHAHLAHAHGLHATNSAHEAAKHHAEHHGNE-- >ERR1022692_1187252 PMSKKAAEHHRKASEHLTHAASHHGEAAKHHDAGYHEKVAHHAHTARGHAIHARRHAEDAVMAHTEEHGKKX- >SRR6266853_2390647 LMSKKAAGHHKKASEHLTHAAHHHGEAAKHHEAGHHETAAHHAHIASGHAIHARGYAEEAVKAHVEAYGKKX- >SRR5262249_7896378 TMSKKAAEHHRKASEHHSHAARHHQEAAKHHDSGHHEKAAHHAHTAGGHAIHARDHAEEARKAHTEEYGKKK- >SRR6478735_11977141 TMSKKAAEHHRKASEHLKHAARHHEEAAKHHDAGHHEKAAHHAHTARGHVIHGRGHAEEAVKGSYRGARQKI- >SRR5215469_8564958 LMSKKAAEHHRKASEHLKHAAHHHEEAAKHHDAGHHEKAAHHAHTARGHVIHGRGHAEEDVTAHTEEHGKKS- >SRR4029079_15311338 DDTHDRAEHHRKASEHHSHAARHHEEAAKHHDSGHHEKAAHHAHTAGGHAIHAIDH----------------- >SRR3974390_1082698 MTDHDIHHHHHEAAKHHEAAAEHHRKAAHHAEAGDHEKASHHAHLAHGHKLHAVEHAEHAAKKHAHHHGNG-- >SRR5579862_249647 MTEHKIHHHHLEAAKHHEHAALHHRKAAEHEEAGYHELASHHAHIAHGHKLHAIEHSEHAAKKHTHRHADK-- >SRR3974390_2923829 MSEHEVHHHHREAAKHHEHAAEHPRRAATHAEAGEHEKASHHAHLAHGHKLHAIEHAEHAAKKHAQKHGHG-- >SRR5450631_4335944 MNEHDIHDHHHEAAKHHEHAAEHHRKAAAHAEAGEHEKASHHAQLAHGHKLHAIEHAEQAAKKHVHKHGNG-- >SRR5258705_12677773 ----LAQGHHVKAAEHLEQASKHHNEAAGHSAAGHHETAAHHAHSAHAHMLQAAHHASEAAKAHRVHK----- >SRR5215831_19127532 LMSKKAAGHHKKASEHLKHAALHHEEAAKHHEVGRHETAAHHAHTAMGHIIHARGHAEEAVKAHVEEHDRH-- >SRR5215813_12713863 FMSKKAAGHHKKASEHLKHAALHHEEAAKHHEVGRHETAAHHAHIAMGHIIHARGHAEEAVKAHVEEHDRH-- >SRR5262249_35423489 VVSKKAAGHHKKASEHLAHAVRHHEEAAKHHDAGHHETAAHHAHLATGHTILARGHVEEATKAHVEEHGKK-- >SRR6516225_2630054 LMSKKAAGHHKKAAEHLTHAARHHEEAAKHHDAGHHETAAHHAHLATGHAVHARGHAEEAMKAHT-------- >SRR5258706_11303519 LMSKKAAGHHKKVSEHLTNAAHHHEEAAKHHEAGRHETPAHHCSHRDGPSNSCX------------------- >SRR6266403_6300338 IMSKKAAGHHKKVSEHLTHAAHHHEEAAKHHEAGRHATATHHAHTAMGHMIHAKGHAEEAVKAHVEEHGRS-- >ERR1700730_16364569 LMSKEAADHHRRAAEHHEHAARHHKEAATHHDAGSHEEAAHHAHTAHGHHLHASHHASEAAKAHAHEHVS--- >SRR3984893_11274889 LMSKQAAEHHRKEAENHAYADRHHKEAAKHHDAGSHEEAAHHAHSAHGQHLHATHHAGEAAKAHAHEHVS--- >SRR5260370_10324744 PMSKEATEHHRKAAEHHEHAARHHKEAAKHHDAGSHEEAAHHAHTAHGHHLPATHHAGEPAKAHPHQPST--- >SRR5579864_1471419 MSDHDIHEHHEMAAEHHENAAKHHREAAKHAKSGDHGKSAHHSHAAHGHALHAHEHHGHASKLHAEHHG---- >SRR6201999_4428379 MSTHEIHEHHDKAAEHHEHAAKHHREAAKHAKDGDHEKSAHHSKVAHGHALHAHEHHGHASKKHADHHS---- >SRR6202000_1008192 MSSHDMHEHHEKAAEHHEHAAKHHREAAKNSKAGDPEKSAHHSHAAHGHALHAHEHHGX-------------- >ERR1700733_5798165 MDSPEIHEHHEKAAEHHEHAAKHHREAAKHAKAGNHEKSAHHSKVAHGHSLHANEHHEHASKKHAEHHG---- >SRR5262245_59006430 MSTHQHKEHHESAAEHHAKAAHHHGKAAEHYEEGEHEKGGHHAHLAHAHGLHATHAANEAAKHHAENHGVH-- >SRR5262245_43150745 MTTHRHTEHHETATEHHAPAPHHHRKAAEHYEDGEHEKGGHHARLAHAHGLHATHAADEAAKHHAENHGEH-- >SRR5262249_27898195 MSTLHQKDHHEAAAEHHAKAALHHRKAAEHYEEGEHQKGGHHAHLAHAHGLHATHAANEAAKSHAEHHDEH-- >ERR1700685_3638131 SSAKSHKDHHEAAAEHHDKAAEHHRKAAEHYDSGDHEKGGHHAHLAHAHGLHATSAAHEAAKHHAEAHGDH-- >SRR5271170_782980 ---SLLADHHDKAAEHHEAAADQHRQAAEHHRSAAHEKAAHHAHLAHGHHLHAAHHAEEAGKQLATAHA---- >ERR1700688_4600441 ---SKLADHHDKAAEHHEAAAGHHRQAAEHHRTANHEKAGHHAHVAHGHHLHAVHHAEEAGKHHAEAHH---- >SRR5579864_6620188 HMSKKAAEHHKKAAEHLTNAAHHHKEAAKHHDAGHHEKAAHHAHTARGHAIQGRGHSEEAVKAHTEEHGKKX- >SRR5580704_16417950 VMSKKAAEHHRKASEHLTNAARHHSEAAKHQDSGHHEKAAHHAHTASGHASQARSHADEAGRAHAEEHGQKX- >ERR1700730_9174416 ------KDEHNKAAEHHENAAKSHRAAAEHHGKNEHEKAKEHSRSPQQHSQNARQHSEQA------------- >SRR5580692_11307601 ------KDDHNKAAEHHDNAAKSHRAAAEQHGKGDHAKGKEHSATAQQHAQSAGKQSEQA------------- >SRR5271155_1227401 ------KDAHNKVAEHHENAAKSHRAAAEQHGKSDHAKGKEHSTNAQQHSQNARQHSEQA------------- >SRR5262252_663114 ---HKGADHHSAAAEHHENAARHHREAAKHYQSGDHHKAGHHAHLAHGHGVNATHHAHEAAKHHAEH------ >SRR6185295_16454184 -MSKQAADHHRKAAEHNEHAAQNHKEAAKYHEAGNHEKAAHYAHLAHAHHLHVAHHSAEASKSHLEHHGKK-- >SRR4029079_628390 -MSKQAADHHKKAAEHNEHAAQNHKEAAKYHEAGNHERAAHYAHLAHAHHLHVAHHSAEASKSHLEHHSTK-- >SRR5436305_1246676 ----PATEHHTKAAEHHDRAAQQHRDAAKHYEDDKHETAAHHAHSAHGHASSAQEEATQASKKHAAHHSGQ-- >SRR5215469_17711277 LMSKKAAEHHRKASEHLKHAARHHEEAAKHHDAGHHEKAAHHAHTARGLIAHNAPKRELPIPAQTEQEPSI-- >SRR6476660_854516 -MSKTAADHHRKASEHSTHAAKHHGEAAKQHDAGQHEKAAHHAQTASGHEREARMHSGEDAKAHANEHGKK-- >ERR1700733_13046317 ---KNASDHHHTAAKPHEHAAKHHKLAAEHHASGELAKAARHAHVAHGHHLSAEHHHHEAAKHFAEHNTD--- >SRR6266478_6069517 LMSKKAAGHHKKVSEHLTHAAHHHEEAAKHHEAGRHETAAHHAYLAMGHLIHARGYAEEAVKAHVDEHDRP-- >SRR6516162_5521683 GLDRGGTEHHRKASEHLKHAAHHHEEAAKHHDAGHHEKAAHHAHTARGHVIHARGHAEEAVKAHTAEHGKK-- >SRR6516162_9495542 GSTEVALNTTGRHRNTSSMPPTTTRRPPSTTMPDITKKAAHHAHTARGHVIHGRGHA--AVNAHTEEHGKK-- >SRR5580704_15213454 --NITSMRLSIIAKPPPTWRMAItRRPRILRIlpmLTTDT-PNITPAKLQKPISSFI---TST-----PPLPNK--- >ERR1700727_2850150 --AKHAADHHEHAAKHHEHAAEHHREAAAHVADGDHEAGAHHAHLAHAHHKHAEHHAGEASKAHIELHHE--- >tr|A0A1N6HF04|A0A1N6HF04_9BURK Uncharacterized protein OS=Paraburkholderia phenazinium GN=SAMN05444168_3227 PE=4 SV=1 --QHEVHHHHHEAAKHLDSAAKHHREAAKHAEAGDHEAASHHAHLAHGHGLHAGEHAEHAAKKAAHLHSG--- >ERR1700731_210757 --AKHAAEHHEHAAKHNEHAPNHHRKAAAHVADDDHESGAHHAHLAYAHHKHAEHHAGEASKAHIELHAG--- >SRR6201999_2564239 --KHPASKHHHDAADHHEKATHHHREAAKHYEDEDAETAAHHAHTASGHSHHAHHHAAEASKAHVQEHGH--- >SRR5208337_642429 --QHPAQAHHTKAAEHHEHAMKHHKEAATQYASGHPEKAAHHAHSAHAHALQATHHAGEAAKGHISHAQKK-- >SRR5271166_4746791 --QHPAHGHHTKAAEHHDQAMKHHKEAATHYAGGQHEKAAHHAHTAHAHSLQASHHANEAAKAHVSHGQKK-- >ERR1035438_9181592 -----AKEHHDKAAEYHEHAAKAHRAAAEHHGKGDHVKGKEQANAAKQHSQTANQHTDQA------------- >SRR6185295_6369403 -----MKDAHNKAAEHHENAARSHRAAAEHHGKNDHAKGKEHSTKAQEHSQNARRHSEDA------------- >SRR5580704_8854768 -----SRDEHNKAAEHHENAAKAHRAAAEHYGKGDHAKGKEYATSAKQQSQTANQYSDQA------------- >SRR5580704_7478170 -----ARDEHNKAAEHHENAAKSHRAAAEHHGKGDHSKGMEHSTNAQQHSQNARQFSDDT------------- >ERR1035438_3719677 ---HKGIENHRKAAKHHEEAAKHHHDAAKHHEAGNHDKACESTVKAHGHHCLASDHMREVSKQHR-------- >SRR5579862_8090639 ---QKGIENHKTAAKHHEEAAKHHLEAAKHHEAGNHDKACESTVKAHGQHCLASEAEREDVKH---------- >tr|A0A1F3K8Y4|A0A1F3K8Y4_9BACT Uncharacterized protein OS=Bacteroidetes bacterium GWF2_33_38 GN=A2W98_03950 PE=4 SV=1 ------MENHKKAAKHHEEAAKHHHDAAKHHAEGNHEKASHSAVKADGHHCIASEARKEDAKHHT-------- >SRR6516164_3816328 -MSQKSAEHHTKAAEHHEHAARHHREAAKHYTAGSHEKAAYHAHVAHGDHLHAIYHAEEAAKYS--------- >SRR5580692_7223228 -MSTQGTEHHIKAAEHHEHAARHHRVAAEHYAGGNDERAAYHAQVAHGHHLHAIHHAEEAAKYT--------- >tr|A0A2H5FQX6|A0A2H5FQX6_9GAMM Uncharacterized protein OS=Legionella sainthelensi OX=28087 GN=CAB17_11925 PE=4 SV=1 ----KLHQHHSSAAEHHRKAAEHHGEAAKHHQGGDHEKGNHHAHLAHGHQEHAKHHSSEAAKHTTGHERKE-- >tr|G9EPV5|G9EPV5_9GAMM Uncharacterized protein OS=Legionella drancourtii LLAP12 OX=658187 GN=LDG_7296 PE=4 SV=1 ----KLKQNHTTAADHYKKAAEHHLEAAKNHEAGNHEKGNSHAYMAHGHSKQAKIHGSDACCHSAGIDTKK-- >SRR5271166_4754981 -MSQQSAEHHTKAAEHDEYAARHHREAAKHYASGNHEKAGYHAHLAHGHELHAINHAEEAAKYEIKFISEGT- >SRR5271165_5204439 -AAC-----TSSVSPCLMFPRRNSSASgSSRYFPTA-RRIGRAPXX---------------------------- >SRR5208283_2469540 ----KIAEHHAQAAQHHEKAAEHHKEASKHYEAGAVEKGAHHAQVAQGHAVQAEYHADEAAKAHAEHHGGK-- >tr|A0A257S911|A0A257S911_9PROT Uncharacterized protein OS=Acidiphilium sp. 21-60-14 OX=1970292 GN=B7Z67_11670 PE=4 SV=1 MMAHTTHEHHAHAAMHHERAAHHHHEAAKHAEAHEHEAAAHHAHLAHAHHLHATHHADEAAKQAADTHA---- >SRR5262249_1401492 ---HKGGSHHEIPDENHDHHATHHRVRRQTSRSGEALRSGR-------------------------------- >SRR5260370_35260483 ---HKGGSHHQTAAEHQQTAAHHHREAAKHNEAGHPGQTGPT------------------------------- >SRR5260370_40037558 ---HKAGSHHETAPEHHETAAPHHRASAQHYEA---------------------------------------- >SRR5450631_1542563 ------QQHHEKAAEHHEQASKHHKEAVKHHESGDEKTAAHHAHIAHGHSAQATEQETEASKKYAEKHNPK-- >SRR5689334_7481690 XMLNEAAEHHKKAAEHHEFAARHHKEAAKYHETGFHEKAVYHARLAHEHHIHATYHASKG------------- >SRR5690242_14891423 XMSKQIAEHHKKAAEHHESAAHHNKQAVMHHEAGSYEKAAYHARLAHEHYVRATYHASKD------------- >ERR1019366_9440480 --PAAAAKQDDAAAQHYEEAARHHRQAAKDYQAGHFEKVSHHSHLAYAHHLHAEQRSEEAARAHLKNYFD--- >ERR1035437_3282233 --PGAAAKHHDAAARHYEEAARHHRQAAKHYQSGHHEKVSHHAHLAYAHHLHAEQHAEEAAKAHIKNHLD--- >ERR1700688_1358693 --PRTGAQHHEAAAQHHELAARHHRVAAQHDLSGHHEKAGHYAHLAYAHHLHAEQHGAEAAKTHAKHHTG--- >SRR5215813_1807967 -MSTKAAEHHEQTVPRLTLLVKSPLHR---APSGVTRDGVRAAQSVPA------------------------- >ERR1700722_19382195 MSTLNKAEHHQAAADHHEKAAEHHREAAKHHDEGEHHLSGHHAHIAHGHGLQADHHADEATRHHVEAHSH--- >SRR5579863_25933 MSTLNKADHHHAAAEHHEKAAKHHREAAKHHEDGEHHLSGHHAHVAHGHGLQADHHAGEAAKHHVETHSH--- >SRR5450759_2404522 -MSKKAAESHKKASEHLTHAARHHAEAAKHQEAGQHEKAAHHAQNARAQATYAREHSENAAKAHFEEHGKK-- >SRR5450830_872629 -ILVERAASHKKASEHLTHAARHHAEAAKHQEAGQHEKAAHHAQNARAQATYAREHSENAAKAHFEEHGKQ-- >ERR1700721_1610003 -MSKKAAEHHKKAAEHATHAARHHTEAGKHHDAGHHEKAAHHAHTAHGPASHARHTAEDAPRPQTERTG---- >ERR1700676_2341835 -MSKKAAEHHKKAAEHATHAAPHHTEAGKPHDSGHHEKAAHHAHTAHGHASHARHHAEEAARAPPGEDAHS-- >SRR6516162_2935501 EMSKQAAEHHIKAAEHHEHAARHHKEAAKHHEAGNHEKAAHHAHVAHGHHLHAMHHHEEAMIFLGEKD----- >SRR5215470_6709139 ----TVVGFRVRDSANPNPSLRTRLLRGKPR--------------TVGLRLKSIRI---TVPREEANV----- >SRR5580704_10693489 -----TWEHYHHAAGHHEQAAYHYKKAEKYDQAEEHEKAAHHAYLAHGHNQHAIHHDVEAARLHPEHCD---- >SRR6185437_1950867 -----TSDHHLRAAHHSEQAAKHHHEAAKHEEAGAHDLAAHHAYLAHGHGEHAAHHRVEAAKQHADHCD---- >SRR5579872_6549096 -----TWEHYHHAARHHEKAAYHYNEAAKYDEGQEHEKAAHHAYLAHGHNQHAMHHETEAAKLHAEQCA---- >SRR5579859_232825 -----TWEHYHHAARHHERAAYHYKAAAKYDQTEEHEKAAHHAYIAHGHTQQALHHDAEVAKLHAEHCD---- >ERR1700733_13494560 -----TWEHYHHAARHHEKAASRLHEAAKYDQAEEHEKAAHHAYLAHGHGQHATHHDVEAAQPHSEHCN---- >SRR6476620_2890533 -----TWEHYHYAARHHERAAYHYNEAAKFEQANEHERSAHHAYLAHGNTQHAIQHDAQAAKLHAEHCD---- >SRR5271170_5375838 -----TWEHYHHAARHHERAAYHFNEAAKYNQAEEYEKAAHHAHLAHGHNQHAVHNENEAAKLYASQCD---- >ERR1035438_5075301 -----TWKHYHHAARHHEKAAYHFNEAAKYDQAEEHEKAAHHAYLAHGLSQNPVLHDVEAAKLHAEQCN---- >ERR1035441_11100738 -----TLFPYTTLFRSHERAAYHFNEAAKYDEGEEHEKAAHHAYLAHGHNQHAIHHDVEAAKLHAEHCD---- >SRR5664279_1442597 -----TWEHYHHAAHHHERAAYHYKEAAKYDQAEEHEKAMHHAYLAHGHTQHAIQHDIEAAKSHADLCD---- >SRR5664279_4926826 -----TWEHYDLAAHHHARAAHNYQEASKYSQAEEHEKAMHHAYLAHGHSQSAIQHETEAARLHAEECE---- >ERR1035438_7334095 -----TLEHYQGAAHHHERAAYQFKEAAKYHQSEEDEKESHHAYLAHGHAQHALLHEVAAAKLHVEKCD---- >ERR1700721_2784080 ---RRSAEHHTLAANHHEHATRHHHEAAKHFQNDDHAHAAHQAQIAYAHTRRAIRHSDGSCRILYGTAWA--- >SRR4051812_19989905 ---RRSAEHhHTFAAHHHEQAARHHHEAAKHFQNDDHAHAAHQAQIAYAHTRRAIRHSNQAAEYYTELDDR--- >ERR1700730_1514122 ---RRSAEHHSLEAHHHEQAARHHHEAAKHFQNDDHAHAAHQSQIAYAHTRHAIRHSDEATEYYTEQHGL--- >ERR1700722_13050175 ---RRSAEHHTLAAHHHEHAARHHHEAVKHFQNDDHAHAAHQAPFVTATKLPNIiRNSMGGLRPTA-------- >SRR3954451_3354512 ----TGTEHHDAAAVHHEQAASHHREASRHYAEKDYAHAAHQALIAHGHTQQRQPSTKSS------------- >SRR5579872_2397560 ----TGTEHHVAAAEHHEQAATHHRQAAKHYAEKDYAHAAHQALIAHGHTQQAVRHGNEATKYHLEQHGKD-- >SRR6185503_15719553 ----TGAEHHTAAAKHHEQAASHHRQASRHYSEKNYIKAAHQGLIGHGHSQRAIRHGNEATKYHVEHEEKA-- >SRR5258706_11916707 ----TGTEHHLAAAEHHEKAAVHHRGASECYAKQDYAQAAHRALIAHGHTQQAVRHGNEATKYHLEHDKE--- >ERR1700741_2922018 ----TGTEHHDKAATHHEQAERHHREGSLHYAEGAYAHAAHQALIAHGHTQQAIRHGNEATKYHVEHHGRF-- >SRR5205807_4931412 -------DTHTKAAEHHENAAKSHRAAAEHHGKGDHAKGHEHSSTAQQHSKTAREHSETAHKKSGEHAGR--- >SRR5271167_149749 -------DTHAKAAEHHEVAAKAHRTASEHHGKGDHATGHEHSTTAHRHSETAHGHSKEAHEKSSQHAGK--- >ERR1700679_4233730 ------KETHTKAAEHHENAAKSHRAAAEHHGKGEHTKGQEESTKAQAHSKTAREHSDM-------------- >SRR5450759_136227 --------KHNMAAEHHEKAAKSHRTAAEHHGKGEHEAGQRHSSEALEHSKNAHQHSQEAHNKSIEANKK--- >ERR1039458_1966516 --------KHNMAAEHHEKATKSNRTAAESAGAILGHITPRGRGAAEKKX----------------------- >ERR1019366_4731186 --------KHNMAAEHHEKAAKSHRTAAEHHGKGEHGAGHRHFEAPLGDPAPVVAPKYVCPrgdytwyQKSAGSPK---- >ERR1035437_823894 --------KHNMAAEHHETAANSPRTAFSGYHSTCSSPKAD-----L------------CSaktfavgNX---------- >ERR1035441_4576807 --------KHNMAAEHHEKAAKSHRTAAEHHGKGEHEAGQRHSSEALARTFKECSSALTRGPX---------- >tr|A0A0M8YVQ9|A0A0M8YVQ9_9ACTN Uncharacterized protein OS=Streptomyces purpurogeneiscleroticus GN=ADL19_30475 PE=4 SV=1 --------AHTEAAEHHEKAAKSHRTAAEHHGKGDHADGHKHSTEAHGHSTTAHERSTKAHg-KSGEHHT---- >ERR1039458_5552437 MATHPAAEHHTKAAEHHKAAAAHHEQAAEHYGHGNYEKAAEHAHHAHGHHALATHHMEEAAKAHATHPDT--- >SRR6185312_11034738 ----SGAEHHLAAATHHEQAAAHHRLASQHYAEKDYAHAAHQALIAHGHGQQAARHANEATKYHIEHHDAVP- >SRR6185437_5883084 ----TGTEHHVAAADHHELAARHHRNASKHYEEGDHAHAAHQALIAHGHAQLAARHANEATKYHVEHHGDAE- >SRR5581483_9044389 ----TGTEHHDAAAVHHEKAALHHREASRHYAEKDYAHAAHQALIAHGHTQQAIRHGNEATKYHVEHHGNPS- >SRR6185437_768864 ----SGTEHHEAAANHHEKAAWHHREAARNYAKKDYAHAAHQALIAHGHTQQAIRHGSEATKYHVEHHGQAL- >SRR5579864_1751781 ----TGKEHHTAAADHHEQAARHHRLASKHYEEKDYAHAAHQALIAHGHTQQAMRHGNEATKYHVEHHGNDS- >SRR6185437_13689150 ----TGTEHHMKAAEHHEQAALHHRRASRHYMEREFAYAAHQALIAHGHTQRAARHANEATKYHVEHHGKES- >SRR5512135_2626370 ----TGAEHHSLAAKHHEQAARHHHQAAKHYEEKDYAHAAHQALIAHSHTQEAIFHGTEATKYHAEHYDRAT- >SRR5580704_12517227 -------HDHHKAAEHHDEAAKSHRKAAESHEEGDTEQASQHSQLANDHSKKAQE------------------ >SRR5271166_1276736 ---HPASEHHHQAAAHHHAAAHHHHRAAHHHDLGEHEEAKEHAEAAQEHSEQAHKHTTTA------------- >SRR5271167_711373 ---HSSSEHHHQAAAHHHAAAHHHHQAAHHHDLGEHDEGKDHADAAHEHSELAQKHTTTA------------- >ERR1700739_3733392 ---HPSSQHHQTAAAHHHAAAHHHHQAAHHHEIGEHEEAQAHAVAAKDHSELAHQHTETA------------- >SRR6516165_8907569 ---HPAVEHHRMAAMHHHAAAHHHHQAAHHHAHGQHEEAKKHATSAHEHSEHGHKHSKEA------------- >ERR1700744_635017 ---HPSSQHHTTAAAHHHAAAHHHHQAAHHHEHGDHEEAQEHAAAAKEHADLAHQHTATA------------- >ERR1700730_3219825 ---HPSSQHHQTAAAHHHAAAHHHHQAAHHHELGEHEDAKEHAAAALGHSELAHKHTTTA------------- >SRR5271167_1124854 ---HPSTEHHLQAAAHHHAAAHHHHQAAHHHDIDEDEEAQEHAEAAHEHSEMAHKHTKTA------------- >SRR5580692_6476539 ---HASIDHHEQAAAHHHAAAHHHHQAAHHHAAGEHDHAKRHATAANEHSHAAHRHSNTA------------- >SRR5215469_3288153 ---HPAVEHHRQAAAHHHAAAHHHLQAAHHHSHGQHEEAKKHATTAHEHSDHGHKHTKDA------------- >ERR1700734_4447503 ---HPASEHHHQAAARHHAAAHHHHQAAHHHDLGEHKEAKEHAEAAHEYSEQGQKHTATA------------- >tr|A0A1U7CVY5|A0A1U7CVY5_9BACT Uncharacterized protein OS=Paludisphaera borealis GN=BSF38_04616 PE=4 SV=1 ---HPASEHHHQAAAHHHAAAHHHHAAAHHHDIGEHAEAKQHATAAHEHSEKAHAHTKTA------------- >SRR5208283_1986152 ---EASGQHHHQAAAHHHAAAHHHHQAAHLHDIGKHEEAKEHAEAALEHSEQAHKHTT--------------- >SRR5579864_3769991 MSTEETVEYHRKAAEHFQYAANHHMAAAAHYSDGRHEQAAREAYLAHGHYLHGSNHAAEAARLHARHFGQK-- >SRR5712692_8710527 DMSTEAVKHHRKAAEHFSYAAKHHAEAGTHYGAGRHEQAAREAYLAHGHYLTATNHAAEAARLHTRHFGQK-- >tr|A0A1Q7AG34|A0A1Q7AG34_9BACT Uncharacterized protein OS=Acidobacteria bacterium 13_2_20CM_2_66_4 GN=AUI11_11295 PE=4 SV=1 -MSTEAVDHHRKAAEHFEHAAQHHSAAASHYGAGRYDQASREAYLAHGHYLHGSNHAAEAARLHTRHFGQK-- >ERR1700693_4730633 -----TWEHYDLAARHHERAAHEFKDAAKYHETEEHEKAAHHAYLAHGHNQHTIHHGNATAKLHTAHCD---- >ERR1700751_2402501 -----AWEHYRHAARDHERAAHHFKEEAKYDEVEEHEKAAHHAYMAHGHNQHAIYH----------------- >SRR3984957_10564985 ----MAHEAHHKSAEHHEEAAKHHHLAAEHHIKGDHKKAHDHATQAHEHSVKPMTTPPPRTRR---------- >ERR1700679_2802903 ----MAHEAHHKSAEHHEEAAKHHQLAAEHHIKGDHKKAHEHATKAHEHSAKAHEHSKAAHEA---------- >ERR1035437_1094595 ---KTGIENHKKTAKHLEEAAKHHHDAAKHHEDGNHAKASESTIKAHGHCCCANDLQKEDSKGHA-------- >ERR1022692_4360246 ---QKGIENHKKAAKHLEEAAKHHLDAAKHHEAGNHEKACASTLKAHGHTCLATEHQRENIKHHA-------- >SRR5579872_2422874 ---QKGIENHKTAAKHHEEAAKHLHDAAKHHEAGNHEKASESTIKAHGHAYIAGEHQREYAKQHA-------- >SRR6478736_6934229 ---HKGIKNHERAAHHHEKAAKHHHEAARHHQEGNHKKASESAIKALGHHCLASEAEREDIKHHA-------- >tr|A0A1F3BRJ9|A0A1F3BRJ9_9BACT Uncharacterized protein OS=Bacteroidetes bacterium GWA2_31_9 GN=A2033_19665 PE=4 SV=1 ---KTVIEKHKKVATHLEEAAKLHHEAAKNHEEGNHDKAHSSTVKANGHTEHAKEIDKEIKKHHV-------- >ERR1700733_15661450 --SEMPKDAHNKAAEHHENAAKSHKTAAEHHGKGDHAKGREEYAKAHAHSTRTQENSQ--------------- >SRR5579871_5864872 --DHMARDAHNKAAEHHENAAKSHKTAAEHHGKGEHAKGREESARAQGHSKTAHEHSE--------------- >ERR1700728_3975191 --DDIARHTHTKAAQHHESAAKSHKKAAEHHGKGEHAKGREESAKAYGHSKTAHEHSE--------------- >SRR5580658_7378271 -AKHPSAEHHHNAASHHHAAAHHHHQAEHHHAMGEHEQAKHHAKAAKEHSELAHKHTE--------------- >ERR1700678_803200 -AKHPASEHHHTAASHHHAAAHHHHQADHHHVRGEHEQAKHHAAAAKEHSELAHKHSE--------------- >SRR5580704_6309482 -PKHPAQEHHHAAAAHHHAAAHHHHQAEHHHAVGEHAEAKQHATAAHEHSELAHKHTT--------------- >SRR5208283_5298634 -AKHPAGEHHHTAAGHHHAAAHHHHQAEHHHARGEHEEAKQHASAAQEHSEAAHKHTT--------------- >ERR1700688_3021457 -TKHPAQEQHHLAAAHHHAAAHHHHQAEHHHAVGEQAEAKQHATAALEHSELAHKHTT--------------- >ERR1700730_17718460 -ANHRSPQHHHLARAHHHAAAHHHHQAEHHHALGEHEDAKQHATAAHEHSELAQKHTT--------------- >tr|A0A1G7GDX7|A0A1G7GDX7_9SPHI Uncharacterized protein OS=Mucilaginibacter pineti GN=SAMN05216464_11097 PE=4 SV=1 -MPNTKHSHHEEAANHHEAAAKSHRNAHKEHTEGNDEKAATHAHEAEGHAEHARTNSKEAAKKHATKSATA-- >tr|A0A1Q6A0Z7|A0A1Q6A0Z7_9SPHI Uncharacterized protein OS=Mucilaginibacter polytrichastri GN=RG47T_3130 PE=4 SV=1 -MPTTKHSHHEDAAKHHDEAAKSHRAAHKEHTEGNDEKAAHHAQKAQGHHTQAGEHAKEASKKHATKHASK-- >tr|A0A1N6RL65|A0A1N6RL65_9SPHI Uncharacterized protein OS=Mucilaginibacter lappiensis GN=SAMN05421821_102120 PE=4 SV=1 ----MKHSHHEEAAKHHTEAAKHHTEAHKSHAEGNDEKAAHHAQTAQGHQHKATEHATEAAKKHAEKHSSS-- >tr|A0A1F2JHJ8|A0A1F2JHJ8_9SPHI Uncharacterized protein OS=Sphingobacterium sp. HMSC13C05 GN=HMPREF3127_23090 PE=4 SV=1 -MSETKHNHHHDAAKHHDEASKHHQNAHKAHQEGNDEKAAEHAKSAAESSKKANDHAEEATKKHSHKHGMK-- >SRR5471030_1443776 XMSKKAADHHRKASEHFEQAALHHTEAATYHATNAYEKAAHHAYLAQAHQHHATHHAGEALQAHLNDHGSS-- >SRR3984893_18837529 CMSKKAADHHRKASEHHEQAAFHHAEAAKHHLTNAFEKAAHHASLAQAHQHHATHHLGEALQAHLTDHGSG-- >ERR1700704_2548263 ------NDMHKKAAEHHETAAKSHRAAAEHHGKGDHAKGKEHSTNAQQESQNAHQHSEQA------------- >SRR5450755_131087 ---------------------------------RDPVHKRKPLTVDYQHSEQAD-STKSA------------- >ERR1700739_1735412 ------KDEHNKAAEHHENAAKEHRTAAEHHGKGDHGKGREHASSAKQHSQTANQH----------------- >SRR5580692_11831826 ------KDEHNKAAEHHENAAKAHRSAAEHHGKGDHASGKKHSTEARDHASKASEA----------------- >tr|S9SB59|S9SB59_PHAFV Uncharacterized protein OS=Phaeospirillum fulvum MGU-K5 OX=1316936 GN=K678_11413 PE=4 SV=1 -ATLKANEHHAAAAAHSESAAQHHKEAAKQFDSGHHEKAAHHAQVAAGHSAHATEHATEATKKYAEQHSS--- >SRR5665811_936752 ------QQHHEKAAEHHEQAAKHHKEAVKHYESGDDKTAAHHSYVAHGHSEEAREQEMEASKKYAITQG---- >tr|A0A2P8H9L3|A0A2P8H9L3_9BACT Uncharacterized protein OS=Chitinophaga niastensis OX=536980 GN=CLV51_11087 PE=4 SV=1 ------HEHHEKAAFHYDLASKSHREAHKSHQEGNDEKAAHHAQAAHGHAAQAKEHEVEASKKHSEKVK---- >tr|A0A2W2A7H8|A0A2W2A7H8_9BACT Uncharacterized protein OS=Taibaiella soli OX=1649169 GN=DN068_18475 PE=4 SV=1 ------QKNHEEAAKHHDEAAKHHRDAAKHASEGNYDKAAHSAQAAQGHHAKAGEQAKKAATQYAEKKG---- >SRR5690242_15247408 ---HAASEHHHTAAAHHQAAAHHHLEAAHHHDIGEHDEAKVHAASAQEHCEHAEKHTKTA------------- >SRR5579871_3518436 ---HASSEHHHTAAAHHQAAAHHHLQAAHHHDHGNDEDAKKHSSAAHEHSEHGDKHTK--------------- >tr|L0DAS1|L0DAS1_SINAD Uncharacterized protein OS=Singulisphaera acidiphila (strain ATCC BAA-1392 / DSM 18658 / VKM B-2454 / MOB10) GN=Sinac_1996 PE=4 ---HAACEHHHKAATHHAAAAHHHLEAAHHHNVGEHEAAKQHDEAAHEHGEHAHKAATTA------------- >tr|A0A1N6H0I2|A0A1N6H0I2_9BACT Uncharacterized protein OS=Singulisphaera sp. GP187 GN=SAMN05444166_2625 PE=4 SV=1 ---HAASEHHHMAAAHHAAAAHHHLEAAHHHDVGEHEAAKKHAETAHEHGEHAHKAAATA------------- >ERR1700722_3501349 -------EAHTKAAEPHENAAKSHRTAAEHHGKGDHDNGREESTKAQSHAKTAREHSEAA------------- >SRR5208283_1367323 -------YFDNVIRAHVPSAAKSHRAAAEYHGKNDHMKGNEHAMEAQKHSKVASAASNEA------------- >SRR5580700_9650725 -------QAHTKAAEHHETAAKSHRAAASEHGRNDHMKGTEHSTEAHKHSKAGGEASDQA------------- >SRR5258708_9298853 ---HTGAGHHTLAAEHHEQAAHHHRQASKHYEKKDHANAAHESLIAHDHTRRAVHHSNEAGKYHAERHRK--- >SRR5690348_12125180 ---YSGAEHHTLAAEHHEAAARHHRQAAKHYQGKDYAHAAHQSLIAHDHTRRAIHHSNEAGKYHAERHGA--- >SRR6185312_14811857 ---HTGAEHHTFAAEHHERAARHHRQASKHYEEKDYAHAAHQSLIAHDHTRRAVHHSNEAGKYHAEQHGD--- >SRR5207248_1576108 ---YTGAEHHTLAADHHEQAALHHRKASQHYDAKDYADAARGSLTAHGHTRRAVHHSNEAGKYHGERAEQ--- >SRR4029077_5485951 -MSKHASEHHRQASTHYHDAARHHQEAAHFSQAGNYERAAYHAGIAAEHQRQAAHHANEAAKHLP-------- >ERR1700737_4938755 -MSKNAAEHHRQASTHYHDAARQHQEAAHFHEAGNYEKAAHHAQIAADHQRQAAHHADEAAKHHA-------- >ERR1700747_3175619 -MSKQASEHHRQASTHYHDAARHHQEAAHFSEAGNYERAAYHAGFAAKHQRHAAHHAEQAAKHTP-------- >SRR5438128_9326564 -MSK-GAEHHRQASTHYHDAARHHQAAAHLSQAGNHGRAAYHAAIAAEHLRQAAHHADEAARHFP-------- >ERR1700727_996832 -------DAHSKAAEHHENAAKSHRTAAEHHGKADHAKGREKSAKAHGLSKTAHESSE--------------- >ERR1700730_4501103 ---HPASEHHHAAAAHHAAAAHHHLQAAHHHDHGNHEEAKKHAASAHDHSQDADRHSKV-------------- >ERR1700730_10583744 ---HASSEHHHNAASQHEAAAHHHRQAAHHHEYGNHDEAKNHATAAHDHSQDADRHSKG-------------- >SRR5580704_14572243 ---HASSEHHFLAAAEHEVAAQQHRQAAHQHDRGNHAEAQKHARAAHDHSQDADRHSKT-------------- >SRR5450755_4646905 ---HAASEHHHRAAAEHAAAAHHHYQAAHHHDHGNHEEAKKHAESAQGHSQDADRHSKI-------------- >tr|G8NWU3|G8NWU3_GRAMM Uncharacterized protein OS=Granulicella mallensis (strain ATCC BAA-1857 / DSM 23137 / MP5ACTX8) OX=682795 GN=AciX8_0020 PE=4 SV=1 ------HEAHKKAAEHHEHAAKAHHAAAEHHESGDHKAAHEH-------SEKAHEHSTEAHKHSADAHSK--- >SRR5579864_5391397 -----TWEHYPQAARHHERAAYHYKEAGKFDEAEEHEKAAHDAYLAHGHNQHAIHHDSEAAKLHAEQCD---- >SRR5580704_9138589 -----TWEHYHHAGRHHEQAAYHYHEAAKYYQAEEFEKAAHHAYLAHGHHQHAMHHDAEAAKLHTEHSD---- >ERR1700694_2352438 ----PASEHHLQAAAHNPAAAHHHLEAAHEHDYDTHEEAKKHAASALNHSQDADRHSK--------------- >ERR1700734_2270764 ----PASEHHLKAAAHHAAAAHHHFEAAYEHDHGNHDEAKKHAASALDHSQDADRHSR--------------- >ERR1700687_1619548 ----PASEHHLKAAAAHAAAAHHHFEAAHQHDYDNDEEAKKHAASALDHSQDADRHSK--------------- >ERR1022692_1760285 ----PASEHHLKAAAHHAAAAHHHFEAAYQHDNDNHEEAQKHQASELDHSHDADRHSK--------------- >SRR5579872_7468067 ----ASSEHHHNAAAQHQAAAHHHLEAAHHHDHGEHDEGKKHASSAQEHSEQADRHSK--------------- >SRR5208282_1491605 ----LSSEHHHKAASQHEAAAHQHRQAAHHHENGNHEVAKKHASSACDHSQDADRYSK--------------- >tr|A0A1Y0M4X7|A0A1Y0M4X7_9FLAO Uncharacterized protein OS=Polaribacter sp. SA4-10 OX=754397 GN=BTO04_01060 PE=4 SV=1 --NINGIKSHRKTTGYLQVSAKKHLEAAMHYQEGNHEKAVQSAIVAHPNFNLVYKAQRKDMNQHA-------- >tr|A0A1F3BRJ9|A0A1F3BRJ9_9BACT Uncharacterized protein OS=Bacteroidetes bacterium GWA2_31_9 OX=1797314 GN=A2033_19665 PE=4 SV=1 --MKTVIEKHKKVATHLEEAAKLHHEAAKNHEEGNHDKAHSSTVKANGHTEHAKEIDKEIKKHHV-------- >tr|A0A2S7T1N8|A0A2S7T1N8_9BACT Uncharacterized protein OS=Chitinophagaceae bacterium RB1R16 OX=2077091 GN=CJD36_000780 PE=4 SV=1 --MKKSIENHKQAAQHHEEAAKHHKQAAKHHEEGNHDRAHTSTVIANGHAHMASEKQTDDAKHHA-------- >SRR5580704_10616937 -------QSHTKAAEHHETAAKSHRAAAEQHGKNEHGKAKEHATQAQQHSKTAREHSEQA------------- >ERR1700752_4702105 ---RQAVEHHESAAKHYQDAAYHHREAAKHYTAGDYEKAAYHAHMAHGHHLHADDHASEAAKHVLG------- >ERR1700733_8059481 ---QKAVEYHESAAKHHQDAAYHHKEAAKHYTAGDHEKAAYHAHMAHGHHLHAADHSAEAAKQMLG------- >tr|A0A1V3PEB7|A0A1V3PEB7_9GAMM Uncharacterized protein OS=Rhodanobacter sp. C01 OX=1945856 GN=B0E50_17670 PE=4 SV=1 ------HHHHHEAAKHLDEAAKHHRAAAEHAEAGNHDKASHHAHLAHGHKLHAIEHAEHAAKKHAHKHDV--- >SRR5271157_2351377 ---HPAAEHHHQAAAHHAAAAHHHLEAAHHHETGEHDQAKKHAEAALRHSEHGHKHTTTA------------- >SRR5271166_1750728 ---HPATEHHHRAAAHHAAAAHHHLEAARHHEAGELDQAKKHSVAAHRHSEHGTKHTTTA------------- >SRR6266566_1561533 IMSTQAAEQHEKAAAQYGHAARHYKEAAEHHKAGNYEKAAQHAQTARWHHEQATDHASEAAKAHAEHYGKQQ- >SRR5947209_9682788 IMSTQAAEQHEKAAAQYGHAARDRKSTRLNSSHANISYA---------------------------------- >ERR1700730_3404010 -------DMHQKAAEHHEQAAKAHRIAAEQHGSSDHATAKQQSAQAADKSKAAHKQST--------------- >ERR1700688_2973991 -------DMHQKAAEHHDQAAKAHRTASEQHGSNDQASAKQQSAQDAEKSKAAHEQST--------------- >SRR6476646_9263370 -------DMHEKAAEHHEQTAKAHRTAAQQHGSNEHVSAKQQSAQAADKSKAAHEHST--------------- >SRR5450631_562038 -------EMHQKAAEHHEQAAKAHQNAATQHGSNDHVGGKQQSAQAAEKSKTAHEHST--------------- >SRR5580700_1624679 -------DMHQKAAEHHEQAAKAHRTAAQQHGSSDHVNAKQQSAQAVEKSKAAHEQSM--------------- >SRR5580704_15841692 -------DMHQKAAEHHEQAAKAHRAVAEQHGSNNHAAAKQQSAQAVEKSKSAHEHST--------------- >ERR1700730_10426099 -------DAHNKAAEHHEQAAKSHRVAAEHHGGGDHAAGHEHSGKAHAHSKMAHDQSG--------------- >tr|A0A2N3PRL3|A0A2N3PRL3_9PROT Uncharacterized protein OS=Telmatospirillum siberiense OX=382514 GN=CWS72_18585 PE=4 SV=1 --------SHTKAADAHEAAVKMHRSAADEHAKGDHKAGLEHAEKAVKLSKEAQERGTGA------------- >tr|A0A1H0JSH8|A0A1H0JSH8_9RHIZ Uncharacterized protein OS=Methylobacterium phyllostachyos OX=582672 GN=SAMN05216360_12370 PE=4 SV=1 --------AHHEAAKHHEAAAKSHKTAAEHHEKGDAKTAGKHAEEAHGHSAKAHESSTKA------------- >ERR1700685_1504215 -------DLHREAAEQHEQAARSHRTASEHNEKGDHDAAKWHAER---------------------------- >SRR6516164_11255356 ---HPSSEHHHQAAAHHHAAAHHHHQAAHHHAVGQHEDAKKHATAAQEHSEMAHKHTSTA------------- >ERR1700740_158540 ---HPSQEHHHAAAAHHHAAAHHHHQAEHHHGRGEHEDAKHHAAAAHEHSEQAHKHTTSA------------- >SRR5262249_17407650 ---HPSSEHHLSAAVHHHAAAHHHHQAGHHHALGQHEEAKQHATAAHEHSEHAHKHTATA------------- >SRR5580658_1949052 -----MHETHREAAEKHELAAHAHRTAAEHNEKGDYSKATWHSERA--------------------------- >SRR6202167_6317267 -----VHEAHGDAVERHELAAQAHRTAAEHNEKGDLSAAAWHSERA--------------------------- >SRR5215831_2780084 TSCRRKLLNtTERHQNTLKHAARHHEEAAKHHDAGHHEKAAHHAHTARGHVIHGRGHAEEAVKAHTEEHGKKX- >SRR5262245_21882200 -SCRRKLLNTRKASEHLKHAAHHHEETAKHHDAGHHEKAAHHAHTARGHIIHGRGHAEEAVKAHAEEHGKKX- >SRR5262249_32641853 ISCRRKLLNtTERHQNTLSTPPVTTRRPPS-TTMPDITKRRHTTLTPRGHVIHGRGHAEEAVKAHTEEHGKKX- >SRR5271166_3867598 ----KTWEHYHHAALLHEKAAYHHKEAARYDQAEEHEKAAHHAYLAHGHSQHAVHHEAEAAKLHAEQCAIL-- >SRR5271166_3724902 ----KTWEHYHQAARNHEKAAYHFNEAAKYNQAEEHEKAAHHAYLAHGHSQQAAHHDVEAAKLHTEQCDRV-- >SRR5579863_300323 ----KTWEHYHHAARHHEKAAYHYNEAAKYDQAEEHEKAAHHAYLAHGHSQHAAHHDVEAAKVHADQCDKA-- >SRR5580658_4821791 ----KTWEHYHHAARNHEKAAYHFNEAAKFNQAQEGEKAAHHAYLAHGHSQQAIHHAAEAAKLHAEHYASQ-- >ERR1035441_6906181 ----KTWEHYHHAARAYEKAAYHFNEAAKYNQAEEHERSTLFAYLAHGHSQHAVHHDVEAPKLHAEQCDSL-- >SRR5208283_2767898 ----KTWEHYHHAARNHEKASYHYNEAAKYNRAEEHEKEAHHAYLAHGHGQLAVHHAAEAAKLHAEQCGSL-- >SRR5579863_4455819 ----KTWEHYHHAARDHEKAAYHYNEAAKYHQAEEHEKEVHHAYLAHGLSQHAVHHEAEAAKLHTEQCDKL-- >SRR5579859_1088175 ----KTWEHYHDAARHHELAAYHYKEASKYDKAEEHERAAYHAYLAHGHNQHAIHHDIEAAKADAEQCDKV-- >ERR1700734_995030 ----KTWEHYHHAARNHEKAAYHFNEAAKFNQAQEHEKAAHHAYLAHGHSQQAIHHAAEAAKLHAEHYGSQ-- >SRR5271154_1375729 ----KTWEHYHHAARDHEKAAYHFHEAAKYYQAEEREKAAHHAYLAHGHSQQAIHYAGEAAKLHAEQHDKL-- >SRR5271154_2378436 ----KTWEHYHHAGRHHEKAAYHYHEAAKYYQAEELEKAAHHAYLAHGHHQQAIHHDAEAAKLHAERCDTP-- >ERR1051325_8213161 ----KTWERYHHATRHHDRVADHDKTAAKYNPSEAHEKAAHYAYIAHGQTQHALHHDAEVAKLCAKQFDGD-- >ERR1700744_6269464 ----SGPEHHLAAADHHESAAQHHRNASKHYEEGDHAHAAHQALIAHGHAQLASRHAKDATKSHVEHHSDS-- >ERR1700728_2423293 ----KTWEHYHDAACNHEKAAYHFNEAAKYDQAEEHEKAAHQAYLALGHSQHAVHYAAEAAKLHAEQCAS--- >ERR1019366_10183257 ----KTWEHYHHASRHHERAAYHYKEAAKYDKAEEHEKAAHHAYLAHGHSQHAIHHDAEAAKLHAEQCAS--- >SRR6476646_11755220 LMSKQAAKHHKKASEHFAKAAHHHGEAAKQHQAGNHETAAHHASIARGCDLHATEHAHAARKAYADDHG---- >SRR5664279_2450751 -MSK-TWVLaYRCAAHHLERAAYHYKEAAKYEEAGDHEKATHHAYLAHGYTQHAIHDDAEAAKLHAEHF----- >ERR1039457_3077952 -MSK-TWELaYQCAARHHERAAYHYKEAAKYEEAGEHEKAAHHAYLAHGHTQHAIDCDAEAAKLHADHL----- >SRR5664280_3607282 -MST-TCELaYYCAARHHECAANNYKEAAKCEAAGEHEKAAHHAYLAHGHTQHAIDCDAEAAKLHADHF----- >SRR6266566_4045491 LMSKKAAQHHKQVAEHLKHAAFHHEEAAKHHETGRHETAAHHAHIAMGHNFSTRVTFAWRAgtsAAPYPVKN---- >SRR6266699_5933420 LMSKKAAQHHKQVAEHMKHAAFHHEEAAKHHETGRHETAAHHAHRAMGHNFSTRVTFAWRAgtsQHHTRSRI---- >SRR5262249_22277374 LMSKKAAGHHKQVAEHLKHAAFHHEESAKHHEAGRHEAAAHHAHVAMGHIIHARSHAEEAVKAHVAEHD---- >SRR5215467_11810449 LMSKKAGEHHKKASEHFTHAAHHYEEAAKHGESGNHEKAAHHAAIARGHDLHGTEHAHAARKVTAENQGK--- >SRR5262249_44821660 LMSKKAAEHHKKASEHFTHAAHHYEEAAKHGESGNHERAAHHAAIARDGIIQPTPGRASFN-LCAK-RGR--- >tr|G3IVL7|G3IVL7_METTV Uncharacterized protein OS=Methylobacter tundripaludum (strain ATCC BAA-1195 / SV96) OX=697282 GN=Mettu_0532 PE=4 SV=1 ----TPQQHHQKAAEHHEQAAKHHKEAAKHYESGDDKTAAQHAHIAHGYSTQAMEQEMEASKKYAKMQ----- >ERR1700761_5729412 ------DAHHLKAADHLEEAAHHHREAAKHHAEGDVELAGHHAQVAAGHTAEADHHTVKAAKLYAKLHE---- >SRR5579862_2076159 ------EDHHHQAAEHHEQAAHHHREAAKYHTEGDVELAGHHAHVATGHSAHAAHHAVESSKLHAHLHD---- >ERR1700761_5328672 ---------HQKAATHHERAALHHREAAEHHAEGDIELAGHHAQVAAGHTAEAARHAAKAAKLHAKLHD---- >SRR5665647_1062279 ----TPQQHHQKAAEHHELASKHHKEAAKLHESGDYEAAAHHALIAHGHTVQPQNKRRKPA------------ >SRR5450759_4733936 ----TPQQHHQKAAEHHELASKHHKEAAKFHGSGDDEAAAHHALIAHGHTVHATEQEEEASKKYANR------ >ERR1039458_9226938 ----TPQQHHQKAAEHHELASKHHKEAAKLHESGDDEAAAPPPLIANEHRVKATEQEEEASKKYANR------ >SRR5258706_9872423 ----TGMEHHIAAAEQYERAALHHRRASQHYAELNHPQAAHQALIAHGHMQQAVRHSNEATKHYVELHSV--- >SRR4051812_20172208 ----TGSEHHIAAAEEYERAARHHRCASQHYLELNHPQAAYQALIAHGHMQQAVRHSSEATKYYVELNGQ--- >SRR5690348_3201367 ----TGSEHHIAAAEQYERAAERHRRASQHYVDLEHPQAAHQALIAHGHMQQAVRHSNEATKYYVEQHGA--- >ERR1700678_3139464 ---DQIADHHEKAAAHHEKAAHHHRKAAEYHKSDDVDTAAQHAHSAHGHDLHAEHHAEAA------------- >ERR1700722_11937569 ---DQIADHHEKAAMHHEKAAHHHRQAAQHQKSEDIAAAAQHAHSAHGHDLHADHHAEAA------------- >SRR5208337_523507 -SDTTLAEHHSKAAEHHGHAKHHHEEAAKAQEDDDHAKGHHHAHIAHGHHLQAEHHHEVAAKH---------- >SRR5271166_3951483 -SDTTLAEHHSKAAEHHGHAKHHHEEASKAHKAGDHAKGHHHAHVAHGHHLQAEHHQEEAAKH---------- >SRR4029453_15264427 TISTQAAAQHEQAAEQYGHAARHYQEAAEHYKRGQYAKAAHDVQTARGHHAQATAHAATAAKYHAEAYV---- >SRR6266446_8423588 TMSTQAAEQHEQAAEQYGHAARHYEEAAKHQKAGNHEKAAHHAHTARGHHKQATAHASAAVKPHA-------- >SRR4029453_3573209 TMSTQAAAQHEQAAEQYGHAARHYQEAAEHYKRGQYAKAAHEVQTARGHHAQDTDNTVTAAKYHAESYV---- >SRR4029434_6774894 TMSIQAAEQHAQAAAQYGHAARQYQEAAAHHQVGQYAKAAQHAQTARAHHAQATAHALAAARAH--------- >SRR6266851_6134461 -------KSHVAAADHYEKAAEHHRTAAEHASEGDQQAAAHHAHIAQGHALHGHEHAASAAKQHVALHA---- >SRR5580693_7599173 -------KFHVAAADHYEKAAEHHRSAADHADEGNPQAAAHHAHIAQGHALHGHEHAAEAAKKHIELHA---- >tr|A0A2U3KQE7|A0A2U3KQE7_9BACT Uncharacterized protein OS=Candidatus Sulfotelmatobacter kueseliae OX=2042962 GN=SBA1_400038 PE=4 SV=1 ----KTREHYQEAARHHERAAFHYKEATRYDAAEEHEKAAHYAYLAHGHNQHAIHHDAEAAKLHAERCDS--- >SRR5579871_2888725 ----SGIEHHETAAEHHEHASRHHHQASKHGEKRDHSPASHEVNLANGHAHRAVFHGDEAAKYHVEHFGRS-- >SRR5437868_383465 ----SGAEHHVAAADHHEQAAQHHRLASKHCDGKDYAMAVQEAQIAHRHAQHSVFNGNEAAKHHVEHYGKS-- >ERR1700693_805720 ----SGAEHHAAAADHHEQAARHHGQASMHCEG---------------------------------------- >SRR5579871_6775725 ----SCAEHHAAAAGLHEEACGHLSRVAGHFQKSKIGEAAREAKLALDLAVRAAFHSNEAAKDYAK------- >SRR5471032_131497 ----SGAEHHAAAADHHEQAARHRDHAAELCVSSDDALAAREAAVAKSHARRAVFHGDEAAKHHVEHYGRS-- >SRR5580692_1574559 ----RGAEHHAAAADHHDLAARHQGQATKHHDAKEYAQAAHEVQIAHGHAQRSVFHGDEAAKHHVEHLGKS-- >SRR5580658_8805264 ----SGADHHTAAADHHEQAARHYGRASKHYDAKEYKQAAHEAQIAQGHAQHSVFHGDEAAKHHVEHFGKS-- >ERR1700723_2911494 ----GPAEHHAAAADHHDQAARHHGLAAKHWDRNDDAL----------------------------------- >SRR5271156_4309961 ----SVAEHHAAAADHHEQAARHHGQAAKHRDDADYVLAAHEAQIAHGHAQHSIFHDNEAAKHHVEHFGKS-- >SRR5580692_11411556 ----ICAEHHTAAAALHEEACTHLSCIAGHFQKSKV------------------------------------- >ERR1700693_2802083 ----DGAEHHAAAAAHHEKAARHHQEASRLCGEQKYAEAAHEAQMAHRHAHYSVF------------------ >SRR3984885_8417543 ----GTAAHHAAAATHHEQAAHHHEEAARLCGEKDYARAAHEAQMAHRHAHYSIFHDDEAAMHHVEHYGKS-- >SRR5271154_5983987 ----SSAAHHAAAGLHHEQAAHHHKDAARLCNEQQYARAAHEAQMAHRHAHYSVFHDDEAAMHHIEHYGKS-- >SRR5277367_1397320 ----SAAQHHIAAAEHNEAAAQHHADAAQHCGRKADGSATIEAEIARGHAEYAVF------------------ >ERR1700722_13942348 --PSKTIDNHQQAAVHHTEAAKHHLEAAKFYAEGNTEKAAHSAMLAWGHHAIAGEFMNDDAKHHAQ------- >SRR5580658_1516979 --YKQTIDRHQQAAAHHTEASKHHLDAAKFYAEGNPEKAAHSAMLAWGHHAIAGEFINDDAKHHAQ------- >ERR1700733_10419240 --YKKTIENHQQAAAHHTEAAKHHLEAAKAYAENSPEKAAHSAMLAWGHHAIAGEFINDDAKHHAQ------- >SRR5580658_3530262 --HKKSIDNHTQAAAHHKEAARHHLEAAKFYAEGNSEKAAHSAMLAWGHHAIAGEFINDDAKHHAQ------- >SRR3989338_1468871 ---QRGIKNHQRAAAHYEAAAKSHLEAAGHHENENHEKAAKSTVEAHGHSSLGNDAQKEDVKHHTE------- >tr|A0A257K659|A0A257K659_9FLAO Uncharacterized protein OS=Flavobacterium sp. BFFFF2 GN=CFE24_14185 PE=4 SV=1 ---QKGIDNHKKAAAHFESAAKSHLAAAKHHEDGHHEKAAKCTVDAHGHACMGKDAQTQDVKHHAS------- >tr|A0A257LAW7|A0A257LAW7_9BACT Uncharacterized protein OS=Bacteroidetes bacterium B1(2017) GN=CFE21_08740 PE=4 SV=1 ---QKGIDNHKKAASHFEAAAKSHLEAAKHHEDGHHEKAAKATVEANGHSNMAIDHQKEELKHSTK------- >tr|A0A1F3VUM1|A0A1F3VUM1_9BACT Uncharacterized protein OS=Bacteroidetes bacterium RIFCSPHIGHO2_02_FULL_44_7 GN=A3D92_22580 PE=4 SV=1 ---QKTVEGHRTAAAYYEAAAKSHLEAAAHLMNDQNDKASQSTMQAYGHSKLAIEAQKEYVKRHTL------- >SRR5580704_9113175 -----AVEAHHKAAEHHQKAAEHHHKAAAHHEAGNHEKAHEHATKAHEHATEAHKHSSEAHEKS--------- >ERR1700722_5269228 -MSKSAAAHHGHAAYHHESATRHHRAAENAYGSGDHKKAAHEAQLAQTHALKAKHHSDLAAKEHLEHHGMD-- >SRR5665213_2018094 -VMSSSGEHHGWAAYHHESATRHHRAAENAYGSGDHKTAAHEAQCASDHASRAKHHADLAVKSHIEHHGMD-- >SRR5450432_4126119 -VMSSSGEHHGWAAYHHESATRHHRAAENAYGSGDHKTAAHEEQCASDHACRAKHHADLAVKSHIEHHGMD-- >SRR5262244_3625698 VMSDKAAGHHKKASEHLARAAYHHGKAAK---TKGYEAAMQHAQTARNHRLQAAGHAEKALKAHIDH------ >SRR5215468_6366957 VMSDKAADHHKKASEHLVRAAYHHRKAADHGETGRHETAVHHAQTARAHRLRAAGHAEKALNAHVEY------ >SRR5215475_6990276 --------------------AYHHGQAAK---TKGYEAAMQHAQTARNHRLQAAGHAEKALKAHIDH------ >SRR5215467_9446568 XMPHKAAEHHEKAAAHLERAAYHHGKAAKE--AGRYETAVDHAQMARTHRLQAAGHAEKALKAHVEY------ >SRR5262245_23793110 VVSDRAADHHKKASEHLAHAADHHKKAANHGETGRHEMAVHHAQTARAHRLQAAGHAEKALNAHIEY------ >SRR5262249_56064253 -------------MLEGVVAAYHHRKAANHGEIGGHETAVHHAQTARAHRLQAAGHAEKALNAHIEY------ >SRR5262249_33404574 XMSKRAAEHYRKASEHLTRAAQHDEKAASDHEAGRDEAAMEHAQAARTHTVRAESHAEKALRAYVEH------ >SRR5262249_28992298 ----RVTDHYQKASEHLARAAEHEKKAAQDHEAGREQAALQHAQTARLHTLRAESHAEKALNAYVEH------ >SRR5271157_5172123 ------KDAHNKAAEHHESAAKSHRSAADSHGKNDHAKGKEHATHAQQHAQTANEHSKTAN------------ >SRR5271170_6162693 ------RESHNKAAELHESAAKSHRAAAESHGRNEHAKGKEHATQAQQHAQSAHEQSKTAN------------ >ERR1700683_1074718 ------KDEHNKVAEQHEAAAKSHRAAADAHGKNDHAKGKEHSGQAQQHSQNARNQSQAAH------------ >ERR1019366_63553 -V------HQNT-TVVPRTTTR---APRDIIAPPRTRTX---------------------------------- >ERR1019366_3465073 -MSQSPAEHHGKAAYHHESATRHHRAAEKAYGSGDHKTAAHEAQCACGHSNLAKNSADAAAKSHMEHHGAQ-- >ERR1035441_4551387 -MSQSPSEHHGRAAYHHESATRHHRAAENAYGSGDHKTAAHEAQCAAGHASLAKHHSALAARSHMEHHGME-- >SRR6202011_4950182 -MKHASSEHHHSAASKHEAADYYHRQAAHNHDRGDHEEAQKHATSAHDHSQDADRHSKIAH------------ >SRR5260370_19141254 -MNHASSEHHRSAASEHEAAAYHHRQAVHHHENGNPEDAKKHATSAHDHSQDADRHSKNAH------------ >SRR6202011_5447000 -KKHVSSEHHHNAAAQHEAAAHHHRQAAHHHDHGNHEEAKKHATSAHDHSQDADRHSKTAH------------ >SRR5450830_80626 -------QLHQKVAEHHEQAAEHHQEAAKHHESGDDETAAHHAQIAHGHAVHATMH----------------- >ERR1035437_2959451 -------DLHRHAAEHHELAAQHHRAAGMCQDCCHDDDAAHHAKETTCHAFHAAMH----------------- >SoimicmetaTmtLMB_FD_contig_41_728288_length_224_multi_1_in_0_out_0_1 # 2 # 223 # -1 # ID=1056114_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.653 -------HLHEQAAEHHEQAAKHHKTAANCCASGDMDGADHHARSAQGHAVHAGAH----------------- >ERR1700678_2085178 ----NMKEEHNKAAEHHESAAKSHRAAADAHGKNDHTKGKEHSTQAQQHAQNAQQHSKTAN------------ >ERR1700692_1389415 ----QMKEEHTKAAEHHESAAKSHRAAAEAHGRNDHPKGKEHATQAQQHAQNANENSKTAN------------ >ERR1700722_5975226 ----SMKDSHNKAAEHHESAAKSHRAAADSHGKNDHAKGKEHSTQAQQHSQNARDHSKTAH------------ >ERR1700753_2365108 ----KMKDDHNKAAEHHESAAKSHRAAAEAHGRDDHAKGKEHSTQAQQHAQNASEHSKTAN------------ >SRR3979409_386687 ----KMKDAHDKAAEHHESAAKSHRAAAESHGKNDHTKGKEHATQAQQHAQNAGEHSKTAH------------ >SRR5579863_8143594 ----QMKEEHNKAAEHHEAAAKSHRAAADSHGKNDHSKGKEHSTQAQQHSQDARNQSQSAH------------ >SRR5579863_8033294 ----TMKEDHNKAAEHHESAAKSHRAAAESHGKNDHAKGKEHATQAQQHAQNAHEHSKSAN------------ >SRR6188472_3074432 VMDDQSERQYTNAADELERSVAHYREASRHSARGEHVKAAHHAHIARGHFLNAQASAHDAAKWHADHFS---- >SRR4029079_19750494 MDQDQSARQYTTAADELERAVAHYREAARHSALGEHVKAAHHAHIARAHFLNAQANAHDAAKWHADHFS---- >SRR5919205_844608 MTQDLSQDQYTMAADELERAVQHYREAARHSELGEHVKAAHHAHIARGHFLNAQSMAHDAARWHAEQFS---- >SRR5688500_4780906 MSQDRSVQEYAVAAQALARAAAHYREAARHTELGEHVKAAHHAHIARGHFLNAQDFAHEAAKLHASRFS---- >SRR5271170_5730888 -----AHEAHHAAAEHHENAAKHHRHAAEHHAAGNHKEGHEHSVQAHEHSKKAHEASTDAHKHSVAAH----- >SRR5262245_50603022 --KHPAVEHHLQAAHHHHVAAHHHLHAAHHHAHGQHEEAKKHATTAHEHSEHGHKHSKNAHG----------- >SRR6516162_4486343 --KHASVEHHHQAAARHHAAAHHHLQAARHHTHGQHEEAKKHATAAHEHSEHAHRHSKDAHS----------- >SRR5271155_274146 ------KEAHTKAAEHHENAAKSHRTAAEHHGKGEHTKGHEESTKAQTHSKTARDHSDMAH------------ >SRR3984957_6795854 ------KEAHTKAAEHHETAAKSHRTAADHHSKGDHAKASEESTKAQSHSKTARDHSDMAH------------ >SRR6202048_1289238 ------KETHTRAAEHHENAAKAHRTAAEHHGRGEHAKGKEQANAAKQHSQTANQHTEQAH------------ >SRR6478672_995202 ------KETHTRAAEHHENAAKAHRTAAEHHGKGDHAKGREESTKAQGHAKTAREHSEA-------------- >SRR6516164_8106867 ---HASIEHHHQAAARHHAAAHHHLQAAHHHAHGQHEEAKKHAVTALEHSEHGHKH----------------- >SRR4051794_5723104 --------TMTLAAEHHEHAARHHREAAKFHEVKDILAAVDQAHMATDHQAHAIHYATQAAKEYLAA------ >SRR4051812_7997314 ----PSRDEYTRAADELEKAVRHYREAASHSGRGEHVQAAHHAHIARGHFLNAQGMAHDAARRHADQFS---- >SRR5918997_1468141 ----PSKDEYTRAADQLEKAVRHYREAASHSERAEHVQAAHHAHIARGHFLNPQGMAHDAARRHADLFS---- >SRR4051812_48614955 ----PSKDECTWAQTNSRGHCA-TTGKPEPLRAGEHVEPAHHRHIARGHDLNAQGMAHDAARRHADRFS---- >tr|A0A1H7LQK3|A0A1H7LQK3_9ACTN Uncharacterized protein OS=Blastococcus sp. DSM 46786 GN=SAMN04515665_10783 PE=4 SV=1 ----LSKNQYTKAADELVLAVRHYREAASHSGLGEHVQAAHHAHLARGHFLNAQAVAHDAARWHADEVS---- >ERR1039458_9372234 --PVPGATHHDAPAQHDEEAARHRQQAAELYQCGRHEKVSHHGHLAYAHHLHAKQHAEEAAKAHM-------- >ERR1017187_367733 --SAPGAKHHNAAAQHDEEAARHRQQAAKLYQRGHHEKVSHHAHLAYAHYLHAKQHAEEAAKAHM-------- >ERR1017187_6707531 --PVPGATHHDAPAQHDEEAARHRQQAAKLYQRGHHVKVSHHAHLASAP------------------------ >SRR5579864_7684482 --PVPGATHHDAPAQHDEEAVRHRQQAAELYQCGHHEKVCHHAHLAYAHIVHTKQHAEDAAKAHM-------- >SRR5271156_4620907 ----MPKETHTRAAEHHENAAKAHRTAAEHHGKGEQDKGHEESTKAHEHSTEAHRSLNRC------------- >ERR1700726_2667972 -----AKDEHNKAAEHHENAAKSHRAAAEHHGKNDHAKGKEHSANAQQHSQNAPKHSEPAH------------ >ERR1700756_5891212 ----KLAEHHETAAHFHELAAEHHRQAAEHQRDEEHEKAAQHALAADGYRLHAVEHAEEASRLYAEEF----- >SRR6202008_972907 ----KLAEHHETAAHFYELAAEHHRQAAEHHRDEEHEKSAQHAFAADGYRLHADEHADEAARLFAEVF----- >SRR5215469_981565 ----KLAEPHETAAHFYELAAEHHRQAAESHRDEEHERAAQRAFAADGYRLHADEHADEAARLFAEVF----- >SRR5271155_5034285 ----MPKETHTKAAEHHENAAKAHRTAAEHHGKGEHDKGHEESTKAHEHSTQAHRHSADAHGKSGEART---- >tr|A0A257URR7|A0A257URR7_9PROT Uncharacterized protein OS=Acidiphilium sp. 37-64-53 GN=B7Z58_15790 PE=4 SV=1 ----MASSNHKEAAKAHETAAKAHHTAAEHHDKGDHAAAQQHSTKAHEHSSAAHKHSTDAHQQSGKAAG---- >ERR1035441_2777089 -----AREEHNKAAEHHENAAKSHRAAAELHGKGEHTKGVEQSKTAQQHSQTAGKQSDQA------------- >tr|A0A0D7P848|A0A0D7P848_9BRAD Uncharacterized protein OS=Bradyrhizobium sp. LTSP885 GN=UP09_16020 PE=4 SV=1 -----ANSEHNKAAELHETAAKSHRAAADQHSKGDHSKGVEQSKSAQQHSQSAGKQSDQA------------- >ERR1039458_2112867 ---QKGVDIHKQAAKHHLEASKHHLDAAKFYEVGEHEKAAVSTVKAQGSASLASDASREDAQMHSF------- >ERR1017187_9273322 ---QRGVDVHKQAAKHHLQASMHHLDAARFHEIGDHEKAAVSTVKALGSACYASQAMNEDAQIHTI------- >ERR1035437_936469 ---QPRVDIHKQAAKHHQDAAKHHQDAAKFHEQGQHDKAAASTVKAQGSATLANDASREDSRSHAI------- >SRR5476651_1852145 ---LKGIETHKQAAKHHQDAAKNHLDAAKFHEAGDHEQAAKSTVKAQGSASLANDAAREDAKSHAV------- >ERR1022692_1737537 ---LKGIENHKHAAKHHQDAAKNHLDAAKFHEAGDHEKAAASTVKAHGSASLANDISKEDAQNHAL------- >SRR5665213_98322 ---QKGIDLHNKAAKHYEAAAKYHHEAAKYHETDDHKMADESTVKANAAATLGNDAAREDAQYHAL------- >SRR5579871_474268 --THPAAEAHHTAAASHEAAAHHHRQAAHHHETGEHETARTHANSAHSHSATAHEHTTTAH------------ >SRR4029078_9117261 -----RKDEHNKAAEHHESAAKSHRAAAEAHGKNEHAKGKEHANQDQQHEQNAHAHSQSAH------------ >ERR1700681_418265 -----MKDAHNKAAELHEAAAKSHRTAAEHHGRNDHAKGKEHATQAQQHAQNANEQSKTAN------------ >SRR5271169_2644609 -----MKDAHNKAAEHHESAAKSHRSAADSHGKNDHAKGKEHSTQARQQSQSAEEHSKSAH------------ >SRR5579871_2888725 ---QGAMPDHASAAHHHAQAAYFHREALTHYRIGkDYAHAAHQALVAHGHAMQAVFHGEEARKYYSGHNGNG-- >SRR5437868_383465 -------------------------------SLNaDYAHAAHQALVAHGHALLAIDRGTEASKYYAEHDGNT-- >ERR1700733_4417216 ---HRASEHHRTAARHHTQAAEYHRESSRHYEIGkDYAHAAHQALIAHGHALLGLKYGDEARAHYAGHHLSD-- >ERR1700693_805720 ---QRAAAHHASAAIHHHQAARYHNEASRNYQVGkDYAHAAHQALVAHGHALQAFDHGNEASKFYAEHDGSA-- >SRR5713101_2571449 ---HRAAEHHVSAAFHHKQAARHHREASRHYQVGkDYAHAAHQALVAHGHALQAIDRGTEARKYYTEHDGNA-- >SRR5476651_332982 ---HGAAEHHNRAAMHHTLAARYHREASRHYQTGkDYAHAAHQALVAHGHALQAIDRGNDASKYYAGHNGNA-- >SRR5580658_6078868 ---HDAAGHFTSAAFHHKQAARFHREASRHYEIGkDYAHAAHQALVAYGHGLRAIDYGSDAGTYFAEHDRKA-- >SRR5580658_8805264 ---------------------------------------------AHGHGLQAIDHGNDAGTYFAEHDGKT-- >ERR1700723_2911494 ---------------HHELAARYHREASRHYQIGkDYAHAAHQALVAYGHGLHAINHGNEARKYYARHDGSA-- >SRR5580692_11411556 ------AEFHASAAFHHRQAAQFHREASRHYEVGkDFAHAAHQALIAHGHALQALEFELAAIVYYAGHAVRK-- >SRR5476651_2202389 ---HGAAEHHNRAAMHHTQAARYHNEASRHYETGkDYAHAAHQALVAHGHALRALRYGDEARTHYAPHHLSE-- >SRR5277367_1397320 ------------------------------------------AFLAMGHDLRAVAHGNEAARYHDG---VP-- >ERR1700675_2935724 -----AKEEHNKAVEHHENAAKAHRSAAEHHGKGDHAKGKEHANSAKQHSQTANQHSDQAH------------ >ERR1035441_10294419 -----AKDEHNKAAEHHENAAKAHRSAAEHHGKGDHMPRARNMRTVQSSIRRPPISIA-IR------------ >tr|A0A2E7Y947|A0A2E7Y947_9RHIZ Uncharacterized protein OS=Methylobacterium sp. OX=409 GN=CMH16_04620 PE=4 SV=1 MNSHPAHEHHMLAATHHAAAAHHHHEAAHHHAHGNAEEAKRHSTSAHEHAEHAHRHTANAHKH---------- >SRR3984957_15326747 -------QAHSKTAAHNESASKAHRAAAEHHGKNDHMKGSEHAAEAQKHSKVAGAASDEAH------------ >SRR5271168_46436 -------QAHTKAAEHHESAAKSHRAAAEFHGKNDHLKGNEHATEAQKHSKVASGATEAAH------------ >SRR5277367_474245 -------ESHEEASKHHESAAKSHKMAAEHHGRGDTASAAKHASEAHEHSSKAHQSSTK-------------- >SRR6202521_2882464 -------EAHQEAATHHENAAKSHKAAAEHHAKGDTASAAKHASEAHEHSSKAHQSSTK-------------- >tr|A0A1I4SLP7|A0A1I4SLP7_9RHIZ Uncharacterized protein OS=Methylobacterium pseudosasicola GN=SAMN05192568_104322 PE=4 SV=1 -------TAHAEAAKHHEAAAKSHKTAAEHHEKGDEATAAKHLKEAHGHSEKVHESSTK-------------- >ERR1700735_2891498 -------EAHEEAAKHHENAAKSHKTAAEHHGKGDTASAAKHSAEAHGHSTKDHERPT--------------- >tr|A0A0L6J387|A0A0L6J387_9RHIZ Uncharacterized protein OS=Methylobacterium sp. ARG-1 GN=AKJ13_24265 PE=4 SV=1 -------NAHREAAKHHEAAAKSHNTAAEHHEKGDNTTAAKHAKEAHGHSEKAHESSTT-------------- >tr|A0A177PXP4|A0A177PXP4_9PLAN Uncharacterized protein OS=Planctomycetaceae bacterium SCGC AG-212-D15 OX=1799653 GN=AYO40_06070 PE=4 SV=1 ---HPCSEHHCNAASQHEAAASHHRQAAHHHNQGKHEEAKKHANSVIDRSQDADRHSKTAH------------ >tr|A0A2N8MCK1|A0A2N8MCK1_9RHIZ Uncharacterized protein OS=Beijerinckiaceae bacterium OX=1978229 GN=CR217_06575 PE=4 SV=1 ---HPAGEHHHQAAAHHHAAVHHHHQAAHHHDLGEHKEAKEHATAALEHSELAHKHSTTAH------------ >tr|A0A1U7CVY5|A0A1U7CVY5_9BACT Uncharacterized protein OS=Paludisphaera borealis OX=1387353 GN=BSF38_04616 PE=4 SV=1 ---HPASEHHHQAAAHHHAAAHHHHAAAHHHDIGEHAEAKQHATAAHEHSEKAHAHTKTAH------------ >SRR5436305_210371 ---------HGNAAFHHEAAAHHHRQASRHHTAGDNEEADRHTRMAHTHSQTAHEHS---------------- >SRR3954471_7869634 -------------AFYHESAAHHHRQAARHHEAGDTEEAGRHAEAARSHGSTASQHS---------------- >SRR4051794_3105455 ----------RRAAFYHETAAHHHRQAAKHHEGGDVEEAEQHGELAYGHSETAHghsg-KA---------------- >SRR3954465_8563158 ----------HDAAHYHEAAAHHHREAARHHEGGEHERARRHATTAHEHSGQAHghsqeahqgSHG---------------- >SRR5208283_2189165 ---HPASEHHLQAAAHHHAAAHHHHQAAHHHELGEHEEAQEHAKAAHEHSEQGHEHSTTA------------- >SRR5271165_7167234 ---HPASEHHLQAAAHHHAAAHHHHQAAHHHALGEHDKAKQHSTSAHEHSQHAHKHTTDA------------- >tr|A5ER26|A5ER26_BRASB Uncharacterized protein OS=Bradyrhizobium sp. (strain BTAi1 / ATCC BAA-1182) OX=288000 GN=BBta_6724 PE=4 SV=1 -----ARDEHNKAAEHHDNAAKAHRSAAELHGKGDHAKGKEHASSAKQHSQTASQHSEQAH------------ >tr|A0A2N3PRK8|A0A2N3PRK8_9PROT Uncharacterized protein OS=Telmatospirillum siberiense OX=382514 GN=CWS72_18515 PE=4 SV=1 ------AEHHRSAVSHHEAAARYHREASKHYQIGhDHAHAAHQALIALGQAWQAVDHAKTANGYYadhdidslqkymEQ------- >tr|A0A126YQH4|A0A126YQH4_9BURK Uncharacterized protein OS=Burkholderia sp. PAMC 28687 OX=1795874 GN=AX768_20475 PE=4 SV=1 ------NARETSAPSSHELAARLHIDASRHYLAGkDYSHAAHQALVAHGHALLALAQGKAVSDRYrkrasgetaTV------- >tr|A0A1G7SI70|A0A1G7SI70_9BURK Uncharacterized protein OS=Paraburkholderia phenazinium OX=60549 GN=SAMN05216466_102505 PE=4 SV=1 ------KEHLEAAASHHEQAGRFHREASRHFEEGkDFNHAAHQAVMAHGHALHAIAEANDALKHPAS------- >tr|A0A2U0W4R2|A0A2U0W4R2_9BURK Uncharacterized protein OS=Paraburkholderia unamae OX=219649 GN=C7402_115204 PE=4 SV=1 ------KMHIEAAASHHEHAAQHHREASRHFEEGrDFGHAAHQALMAHGHTLHAIDQAHEAGAHGSN------- >tr|A0A2U0Y0F7|A0A2U0Y0F7_9BURK Uncharacterized protein OS=Paraburkholderia sp. OV555 OX=2135497 GN=C7513_102216 PE=4 SV=1 ------KVHLEAAASHHEQAARFHREASQYYEAGsDQDHAAHQAVLAQGHALHAIDEANVAVKHAGA------- >ERR1700733_4273555 ------TESHTKAAEHHENAAKSHRTAAAQHSKGEHAKGQEESTKAQSHSKTARDHSDMAH------------ >ERR1035441_938148 ------KDAHLKAAEHHDNAAKAHRTAAEHHGKGDHAKGMQHSKIAFDHSVKAHEASTHAHKKSSE------- >ERR1035441_5448854 ------KDAHLKAAEHHDNAAKAHRTAAEHHGKGRSEERRVGKEG---------------------------- >ERR1017187_7208358 ------AVFSaaFLAGGCWALAavFAAARFAAQRFFNAATI-AALPAALSF-------------------------- >ERR1700753_2918760 -------APHKKAADHHEKAAKSHRAAAEHHDKGDKAAAGKHADEAHGHSTKAHETSAK-------------- >ERR1700761_7356260 -------ATHKEAADHHEKAAKSHRTAAEHHDKGDATAASKHAEEAHGHSTKAHESSSK-------------- >ERR1039458_3843154 -------DAHNKAAEHHENAAKAHRNAAELHGKGDHGAGKKHSATALEDSGKAHDAS---------------- >SRR5260370_22522930 -------NAHEEAASHHENAAKAHRTAAEHHGKGNHEEGRRHSSTAHEHSGKAHEAS---------------- >tr|A0A1I2DTA1|A0A1I2DTA1_9BACT Uncharacterized protein OS=Spirosoma endophyticum GN=SAMN05216167_12052 PE=4 SV=1 -----AHEHHKEAAYHFRKAAEYHENAQQLHEAGDHEKEAHEAYVAYGHHNLADQHAQAAAEHHAEKHDT--- >tr|D2QVB8|D2QVB8_SPILD Uncharacterized protein OS=Spirosoma linguale (strain ATCC 33905 / DSM 74 / LMG 10896) OX=504472 GN=Slin_6800 PE=4 SV=1 -----AHDHHKEAAYHFGEAAKHHQKAQELHQAGDHEKEAHEAYQAQGHHNLGDHHAKAAAEHHAEGHDK--- >SRR5476649_1149520 ----HVAEHHEAAAELHEHATRYLLQASRHYEAGNVALSAHEAQTAHAMGLCTIDHSNEAAKHHAVR------ >SRR5450756_2141572 -----------LVSWAREMCIRDSRTAAEHHGKGDHAKGMEHSKIAFDHSVKAHEASTHAHAKSSE------- >SRR6202046_2156493 -------HDHHKAAEHHEEAAKSHRKAADAHEKGEHADATQHSQMAHDHSTKAHEASSSA------------- >ERR1700684_1565712 -------NDHHKAAEHHEEAAKSHRKAGDAHDKGEHADASQHSQIAHDQST---------------------- >ERR1700722_13108227 ------RDSHTKAAEHHENAAKSHRTAAEHHGKGEHDKGRERPRRRRVAQRQRGSIRTPP------------- >ERR1700722_6883511 ------RDSHTKAAEHHENAAKSHRTAAEHHGKGEHAKGNEESMKAQGHSKSAREHSEMA------------- >tr|A0A2M6VDT7|A0A2M6VDT7_9BURK Uncharacterized protein OS=Limnohabitans sp. B9-3 OX=1100707 GN=B9Z42_07035 PE=4 SV=1 ----TEHQHHVQAAEHLELAAKSHKEAAKLISAGDHKAALQHVETAKTHTAHASDHVKEAQKK---------- >tr|E9I7K5|E9I7K5_DAPPU Uncharacterized protein OS=Daphnia pulex OX=6669 GN=DAPPUDRAFT_279722 PE=4 SV=1 ----KPEHHHTKVAEHLEMAAKSHKEVAKHITANDHAAAQTHAKVAEEHMTKAKEHADLA-KK---------- >tr|A0A2M6VZL0|A0A2M6VZL0_9BURK Uncharacterized protein OS=Limnohabitans sp. 15K OX=1100706 GN=B9Z40_07615 PE=4 SV=1 ----KPEQHHSKAAEHLELAAKAHKEVAKLISANDHTGAHAHVAVAHEHLTHAHTHADAA-KK---------- >tr|A0A1N6KRN2|A0A1N6KRN2_9BURK Uncharacterized protein OS=Paraburkholderia phenazinium GN=SAMN05444165_4433 PE=4 SV=1 -----KKEHLEAAASHHEQAGRLHREASRHFEDGkDFAHAAHQAMLAHGHTLHAIDRANEALKHHAGAPL---- >tr|A0A1Q8IYL3|A0A1Q8IYL3_9BURK Uncharacterized protein OS=Burkholderia sp. SRS-W-2-2016 GN=BTH42_10720 PE=4 SV=1 -----KKGHLESAASHHEHAARHHQEASRHFEDSrDPGHAGHQAVLAHGHTLLAIDEAQDAGAHSANAP----- >tr|A0A244DI83|A0A244DI83_9BURK Uncharacterized protein OS=Paraburkholderia terrae GN=CA603_35275 PE=4 SV=1 -----KKEHLDAAASHHEQAARFHREASRHFEAGkDFAHAAHQAMMAHGHALHAIYQANDAGKHNSDTPL---- >SRR5579863_4152399 -----KKGHLEAAASHHEQAARHHREASRHFEDGrDLVHAAHLAMMAHGHTLHAIDQAHEAGAHSANTP----- >SRR6201994_3502295 -----KKEHLVAAASHHEQAARYHHGASRHFEAGkDYAHTAHQAMLAHGHTLHAIDEAHDAGAHSANTSS---- >ERR1700756_1205677 -----KKGHLEAAASHHEQAARYHHEASRHFEAGkDYAHAAHQAMMAHGHALHAIDRAHDAGAHSAATPP---- >ERR1700716_2440016 -----KKEYLEAAASHHEKAARYHREASQHFEAGkDYAHAAHQSMMAHGHTLHAIDQAHNAGAHSASTPP---- >ERR1700742_968682 -----KKEHLVAAASHHEQAARFHHAASRHFEAGkDFDHTAHQAMLAHGHTLHAINEAHDAGAHNVNVPP---- >ERR1700693_4071883 -------------------------------------HAAHQAMMAHGHALHAIEHVNEALKHNAGAPL---- >ERR1700733_12934978 ------------------------------------------AMLAHGHTLHAIVEAHDAGVLSASPPP---- >tr|A0A221AH39|A0A221AH39_9BURK Uncharacterized protein OS=Burkholderia sp. AD24 GN=bAD24_III09205 PE=4 SV=1 -----KKAHLEAAASHHEQAARYHHGASRHFDTAqgqdqDHAHAAHQAMMAHGHTLQAIDEAHEAGAHSTGAPP---- >tr|A0A1H4CXJ3|A0A1H4CXJ3_9BURK Uncharacterized protein OS=Paraburkholderia sartisoli GN=SAMN05192564_102553 PE=4 SV=1 -----KKGHLEAAASHHEQAARYHRAASRLFEGGhDFAHAAHEALIAHGHTLHAIDQAHDAGAHSTSAPP---- >tr|A0A1H1JIH2|A0A1H1JIH2_9BURK Uncharacterized protein OS=Paraburkholderia fungorum GN=SAMN05443245_6487 PE=4 SV=1 -----KKGHLEAAASHHEQAARYHHGASWHFEEGkDFAHAAHQAMLAHGHTLHAIDHAHDAGAHSNAPPT---- >SRR5579859_2687318 --------------------------LTVTGVQTcALPTSAHQAMMAHGHTLHAIDQAHDAGAHRANTPP---- >SRR5476651_246744 -----------SASGHHKQAAKYHREASRHYQSGkDYAHAAHQALAAHGHALQAIDHGKVAERYQAPRDP---- >SRR5579863_1914993 -----KVGHLEAAASHHEQAALFHREASQYYEAAkNYEHAAYLAVLAHGHAQHAIDEVHVAAKHASAPSS---- >ERR1700677_902425 ------SMHHAAAVVHHQQAARFHREASRHYQIGkDYAHAAHQALTAHGHALRAMEHGQTASAHYVAHEH---- >ERR1700722_4097143 ----------------------FHREASRHYQTGrDYAHAAHQALTAHGHALRAQEHGEAASALYAAHEG---- >ERR1700679_1675721 -----QSAHHVAAADHHQQAAQFHRAASRHYQIGkDYAHAAHQALAAHGHTLKAIDHENEASKYYAEHIG---- >ERR1700730_12142891 -----AAEYHASAAIHHELAARYHREASRHYQIGkDYAHAAHQALVAYGHALHAVDHGNHARNYGGGTSS---- >SRR5271170_1814435 -----SAEPHASAAIHHAAAARFHREASRHFQVGeDHAHAAHQALLAHGHGLRAMERGNQADAYYAT------- >ERR1700690_2248574 ------------------------------------------ALTAHGNAVYIRKHGQPANAGYAAHEG---- >APAga8741244255_1050121.scaffolds.fasta_scaffold61951_1 # 1 # 285 # -1 # ID=61951_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.709 -----KKGHLEAAASHHEQASRYHRAASRYFEAGqDYAHAAHQAMMAHGHTLHAIDQAHEAGTHSANTPP---- >UPI0006EF4159 status=active -----KKGHIEAAASHHEQAARFHREASRSFEAGkDYDHAAHQAIMAHGHVLHAIDHAHDAGAHTTGTPP---- >ERR1035438_8884209 -----MHEAHWKAAEQHELAARAHRTAAEHNEKGDFTTAIWHSQRALEYSDHAYRLAKEAHAK---------- >SRR5271157_4414361 -----MHEDHRRAAELHELAAAAHRTAAEHNEKGDYTTAVWHSERALEYSDSAYKLAKEARTK---------- >ERR1700690_4483870 -----MHEAHRRAAEQHELAAHSHRTAAEHNEKGDYAAAFWHSQRALEYSDHAYKLAKEAHAR---------- >ERR1700690_2838516 -----MHEAHRKAAEQHELAARAHRTAAEHNEKGDCTTAVWHTQRAMKYSDHAYELSKEAHNK---------- >SRR5579863_5662397 -----MHEAHWKAAEMHQLAAQAHRTAAEHNEKGDFTTAEWHSARAREYSDHTYTLAKQCHNK---------- >SRR5580700_5209628 -----VHETHRQAAENHELAAQAHRTAAEHNEKGNYSTATWHSERALEYSDNAYKLAKEAHSK---------- >ERR1035438_1235828 -----MHDAHRRAAEQHELAALAHRTAAEHNEKGDYSAAILHSERALEYSDQAYKLAKEAHSK---------- >SRR5208282_4175553 -----MHEEHRKAAEQHALAAKAHRTAAEHNEKGDHAAAVWHSERALEYSDHAYKLAKETQNK---------- >ERR1035441_160778 -----MHEAHREAAEKHELAAQAHRTAAEHNEKGDSTAADWHSERDRKSTRLNSSHLGISYA----------- >ERR1017187_5918702 -----MHEAHRKAAEQHELAARAHRTAAEHNEKGDRTTAELHSERALQYSDHAYALAQEAHTK---------- >ERR1035437_812044 -----MHETHRKAAEQHELAARAHRMAAEHNEKGDNVAGSWHAEQALX------------------------- >ERR1035438_2952819 -----MHEAHRRAAEQHELAAQAHRTAAEHNEKGDLSNAVWHSQRAMEYSDHAFKLAKEADSK---------- >SRR5208283_3547207 -----MHEAHWRAAELHELAAEEHRTAAEHNEKGNFAPAIWHAERALEYADQAYKLGKEAHTR---------- >ERR1700680_3230249 -----VHDALRKAAEQHELAAQAHRTAAEHNEKGDNEAGSWHSERALECSDHGYRLAKEAHIK---------- >ERR1700680_5293557 -----VHDALRKAAEQNELAAQAHRTAAEHNEKGDNAEGSWHSERALEYSNHAFKLAQEAHNK---------- >SRR5579871_4072473 -----MHQAHRKAAEQHELAAQSHRTAAEHNEKGDFPMAVWHSERALAYSDKAYRLAQEAHNK---------- >SRR5580658_3585280 -----MHeerreaaekhDPHEKAAAQHDLAAQAHRTASEHNEKGDDGKGQWHAERALEHSTQAFRLSKEAHTK---------- >ERR1035438_1797539 -----MHESHRRAAEQHELAAQAHRTAAEHNEKGDNIAGKWHAERALEYSDHAYKLAREAHAKS--------- >ERR1017187_6667227 -----MHESHRRAAEEHELAAQAHRTAAEHNEKGDNIAGKWHAERALVYSDRAYKLANEAHNKS--------- >ERR1019366_7385905 -----MHESHRRAAEEHELAAQAHRTAAERNEKGDYVAERWHAERALEYSDHAYKLAREAHTKS--------- >SRR5271157_1405023 -----LHESHRKAAEQHELAAMAHRTAAEHNEKGDGAAGSWHAERALEYSDHAYKLAREAQTKS--------- >SRR5579862_6534521 -----MHESHRKAAEQHQLAAQAHRTAAEHNEKGDYTAAIWHSERALEYSENAYKLAKEAHNKS--------- >ERR1039458_3948685 -----MHETHRKAAEQHELAAQAHRTAAEHNEKGDYAAAIWHSERALVYSDRAYKLANEAQTSQ--------- >ERR1039458_7317855 -----MHEEHRRAAELHELAAQAHRTAAEHNEKGDRATSIWHSERALEYSDRAYKLAVEVRNKS--------- >ERR1017187_969610 -----INDAHREAAEEHERAAQAHRTAAEHNEKGDGTAGSWHAERALQYSDHAYKLAKEAHNKS--------- >ERR1017187_7516137 -----MHETHRQAAEHHELAAQAHRTAAEHNEKGDYPAAAWHSERALEYSDRAYKLAKEAHSKS--------- >SRR5665647_3655933 -----MHEAHRKAAEQHELAAQAHRTAAEHNEKGDYAAAIWHSKRALEYADRAYQLADEAHTKS--------- >SRR6202050_3988918 -----VHETHRAAAERHELAAQAHRTAAEHNEKGDLSVAAWHSERALEYSDHAYKLAKEAHNKS--------- >SRR5271165_2409151 -----MHETHRKAAEQHELAAQAHRTAAEHNEKGDCTTAEWHSKRALEYSDQDRKLAKEAHNKS--------- >SRR5580658_9165545 -----FESLHGKAAELHDLAAQAHRTAAEHNEKGDHDAENWHLERANEYSEQAFKIAQELHTKS--------- >SRR5271157_975027 -----MHEEHRRAAELHELAAQAHRTAAEHNEKGEGVAGSWHAQRALEYSDHAYKLAMEAHNKS--------- >ERR1039458_1801200 -----IRDAHTRAAEQHERAAQEHRTAAEHNEKGDGVKGSWHAERALEYSDHAYKLAMEAHNKS--------- >ERR1019366_6067402 -----MHDTHRKVAELHALAAHAHRTAAEHNERGDDAAGGWHSERALDYSDQAYKLAKEAHAKS--------- >ERR1022692_786886 -----MHNLeHRKAAEQHELAAHEHRTAAEHNERGEGVKGSWHSERAMQYSDHAYKLSKEAHNKS--------- >SRR5271166_2169624 -----MHETHRRAAEEHELAARAHRTAAEHNEKGDRTAADFHSERALEYSDHAYRLAQEAHSKS--------- >ERR1700683_4802183 -----MHELHRRAFEEHELAAQAHRTAAEHNEKGDDPTENWHTERALEYSDRAFKLAKEAHAKS--------- >SRR5580692_7835881 --NHNAAEHLRSAALHHQRAGQFHREASRHYQIGkDYAHAAHQALIARGHALQASDHEDDAGAYFSEHNGN--- >SoimicMinimDraft_4_1059732.scaffolds.fasta_scaffold1835258_1 # 3 # 221 # -1 # ID=1835258_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.680 --KHNPAGHLTSAVFHHKQAAQFHREASRHYQVGkDYAHAAHQALVAHGHGLQAIDHGNDAGAYFVEHNGK--- >GraSoiStandDraft_25_1057303.scaffolds.fasta_scaffold2786330_1 # 1 # 273 # 1 # ID=2786330_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.641 --SRVQSAHHAAATDHHQQAAQFHRAASRHFQIGkDYAHAAHQALAAHGHALRALERGQAASALYAEHEGS--- >SRR5471032_58518 ------KGHLEAAASYHEQAARFHREASHHFGAGkDYDHAAHQAVMAHGYALHAIDEANNVVKHNAG------- >SRR6478735_7802765 ------KGHLESAASHHEQAARFHREAAQHYEAGkDYDHAAHQAVLAHGHALHAIDEASVAAKHAGA------- >SRR5471032_3571840 ------KGHLEAAASHHEQAARFHREASHHFGAGkDYDHAARSEEHTSELQSHH-------------------- >tr|A0A1H5NEP2|A0A1H5NEP2_9BURK Uncharacterized protein OS=Burkholderia sp. WP9 GN=SAMN02787142_6276 PE=4 SV=1 ------KEHLDAAASHHEQAARFHREASQIYEAGkDYDHAAHQAVLAQGHALFAIAESNLAAKHTGA------- >ERR1700744_2473096 ----------------------------------------HQAILAQGHALHAMDESNLAAKHTGG------- >ERR1700690_4486807 -------------------------------ENGkDYAHAAHQAVMARGYSVQAIHHGNEASKYHAG------- >ERR1700720_1670717 -----MHEAHRRAAQQHELAARAHRTAAEHNEKGDDEEGNWHSERALEYSDQAYRLAKDAHAKS--------- >SRR5689334_4818128 -----MHEGHRKAAEQHDLAAHAHRTAAEHNEKGDSVAEQWHAERALEYSDQAYKLAKEAHAKS--------- >ERR1035438_6644050 -----QSDTHRLAAEQHELAAQAHRTAAEHNEKGDDEGGRWHAERALEYSNHAYKLAKEAHAKS--------- >ERR1700722_7188787 -----MHETHRRAAEQHELAAEAHRTAAEHNEKGENETGKWHSQRAMEYSDHAYKLAKEAHTKS--------- >ERR1700733_11670911 ----TMHEAHRTAAEQHELAAHAHRTAAEHNEKGDNEGGKWHAERALEYSDQAYKLAKEAHTKSA-------- >ERR1700722_20636178 ----TMHEAHRTAAEQHELAAHAHRTAAEHNEKGDNEGGKWHAERALEYSSTRIRPINSQRKRTR-------- >ERR1700720_3737208 ----IMHESHRQAAEQHELAAHAHRTAAEHNERGDNPTANWHATRALAYSDQAYKLAKEAHTKSG-------- >ERR1700733_11573431 ----TMHDAHRKAAEQHELAARAHRTAAEHNEKGDDEAGRWHAERALEYSDHAYKLAKEAHAKSA-------- >ERR1700691_2814054 ----NMHEAHRKAAEQHELAARAHRTAAEHNEKGDNEAGIWHAERALEYSDQAYKLAQEARTKSG-------- >SRR6202161_1855922 ----NMHEAHRKAAEQHELAASAHRTAAEHDEKGDDEAGRWHAERALEYSNDADKLSLEAHNKSG-------- >SRR5690242_7580166 ----TMHETHRRAAEQHELAAHAHRTAAEHDEKGDTETGNWHAERALAYSDRAYKLAMEAHTKSG-------- >SRR5690349_19263105 ----TMHETHRRAAEQHELAAHAHRTAAEHDEKGDTRRVtgmrsaPWHIRIVPI----GW--LWKRTPNPG-------- >SRR5712691_13313662 ----SIRSLHRKAAEYHDLAAHAHRTAAEHNEKGGNEAQNWHLERALEYSNRAYKLAQEAHSKSG-------- >SRR5271165_4566811 ----IMHEEHRKAAEQHERAAQAHRTAAEHNERGDGAGGRWHAERALEYSDHAYKLAKAANNKSS-------- >ERR1700679_954346 -------EGRRTARTCGTRS----SHRRRTPRKGDNEGGKWHAERALEYSDHAYQLAKE-------------- >SRR5579872_3040707 ----IMQDLHRKIAELHELAAQAHRTAAEHNEKGDNESANWHSQRALDYSNRAYELAKEAHNKSA-------- >SRR5579864_4074794 ----VMHDLHQKAAEYHELATQAHRTAAEHNEKGDNESANWHSKRALEYSNRAYELAKEAHNKSA-------- >SRR5271165_620434 ----NMHDAHRKAAEQHELAAKAHRTAAEHNEKGDNEAGRWHARRALEFANQAYKLAQEAHNK---------- >ERR1035438_965373 ----TMHEAHRKAAEQHELAARAHRTAAEHNEKGHSTAAIWHSERALEYSDHAFKLAKEAHNKSG-------- >ERR1035441_4345400 ----TMHEAHRKAAEQHELAARAHRTAAEHNEKGHSRSEERRVG----------------------------- >SRR5580658_4948604 ----TMHDTHRKAAERHELAARVHRTAAEHNEKGDNEAGSWHSERALEFSDHAYKLAQEAHAKSG-------- >SRR5580704_12130880 ----PMRETHRQAAERHEQAARAHRTAAEHNEKGDDEAGRWHSERALEYSDHAYKLAQEAHTKSG-------- >SRR5580700_4825899 ----TMQDTHRKAAERHEQAARAHRTAAEHNEKGNDDAGRWHSERALEYSDHAYKLAQEAHTKSG-------- >ERR1035441_5708109 ----TMHEEHREAAELHELAAREHRTAAEHNEKGNFTAAEYHSQRELEYSDQAYKLAKDAHTKSG-------- >SRR5579872_2570035 -----MHEAHQKAAEQHELAAKAHRTAAEHNEKGDYTAAIWHSQRALEYSEQAYKLAKEAHTK---------- >ERR1700693_2895405 -----MHdahEAHRKAAEQHEISAHAHRTAAEHNEKGDYSGAIWHSERALEYSEQAYKLSKEAHTK---------- >SRR5579864_2262205 -----MHSAHLKAAEQHDLAAHAHRTAAEHNEKGDNDAEKWHSERALEYSDQAYKLAKEAHAR---------- >SRR5579864_6142950 -----MHDARRKAAEQHELAARAHRTAAEHNEKGDPEEASWHSQRALEYSDHAYKLAKEAHAK---------- >SRR5215831_17273075 LMSNKAAEHHKKALQHLTHAARHHGKAAWHHQAGRYERAIHHAHTASGHHYQAGGHADRAVKAHVQH------ >SRR5215831_2017232 PMSKRAAEHHKKASKHLAAAACHHEKAAAAHEIGRYETETDHAYEAGRHRVYAKRHAQRAWKDHVEH------ >LakMenE01Jun11ns_1017448.scaffolds.fasta_scaffold3487450_1 # 2 # 187 # 1 # ID=3487450_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.435 ISTEPEAQS-----AELMIRTKDGRDRLWSFVSSALG-----TQSDGRRLFVCMAQDVTERKAHDEQ------ >HubBroStandDraft_5_1064220.scaffolds.fasta_scaffold1605167_1 # 1 # 417 # 1 # ID=1605167_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.650 LL---------GESQRLTVQL----------QSRQTELQQTNEELATKAKLLAEQ--NAERERKEEH------ >SRR5579872_4560724 ---QHRAAQHGAAASHHRQAAQHHRAAATHYRSGkDYAHAAHQALAAHGHTLLAIDYGSHAGTYAAQHGGD--- >SRR5579863_6441461 -----------SAASHHKQAARYHREASTHYRSGkDYAHAAHQALAAHGHALLAIDHGDQAGKYYAQHGGD--- >SRR5271165_1744909 ---HhDSGEPHAAAAVHHAEAARFHREASRHYQDGeDHAHAAHQALLAHGHGLRAFERGNQANAYYGTLSVE--- >ERR1035437_993647 -----THDAHLKAADQHELAAHAHRTAAEHHEKGDDVGGRWHAARALEFSDHAYKLAKEAHNKS--------- >ERR1035437_10047576 -----THDTHLNEAEQLELAAHTHRTAAEHHERGDDVGGRGHTARALEFSDHA-------------------- >ERR1017187_4798261 -----THDAHLKAAEQHELAAHAHRTAAEHHEKGDDVGRSE-------------------------------- >ERR1700730_15266082 -----MHDTHRRAAEQHELAAHAHRTAAEHNEKGDNETGNWHSQRALEHSDRAYELAKEAHAKS--------- >SRR5580658_2267416 -----VHGLHSKAAEQHELAARAHRTAAEHNEKGDHETAEFHVERAREFADRAYQLAKEAHSKS--------- >SRR6476661_2253354 ------SKLHESAAEHHEHAARHHREAARLHEVKDVLAAVDQAHMATDHQVHAIHYATQAAKEYMA------- >SRR3954469_21339197 ------SKLHESAAKHHEHAARHHREAAKLHEVKDVLAAVDQAHMATDHQVHPIHYGTQAAKEYLA------- >SRR6478736_2086344 ------SRLHENAAKHHEHAVRQHREAARLHEVKDVLAAVDQAHMATDDQAHAIHYATQAAKEYLA------- >SRR5271166_4700256 -----MHETHRKAAEQHELAAKAHRTASEHNEKGENETGNWHSERALEHSDRAYQLAKEAHNK---------- >ERR1700735_2757028 -----MHDTHRKAAEQHELAALAHRTASEHNEKGENETGNWHSKRALAYSDRAYELAKDAHNK---------- >SRR5579863_3543293 -----MHDAYRRAAEQHELAARAHRTAAEHNEKGDNETGNWHSGRALEYADRAYELAKQACNK---------- >ERR1022692_2141220 ----TMHESHRRAAEEHELAAQAHRTAAEHRSEEHTSELQSP------------------------------- >ERR1019366_59648 ----AMHEGHREAAELHERAAHAHRTAAEHHEKGDSATAVWHAERALEYSDHAYK------------------ >SRR5579872_4326349 ----TMHDTHRKAGEQHELAAKAHRTASEHNEKRENETGNWHAERELDYSDRAYQLAKEAHNKS--------- >ERR1035441_9666701 ----TMHEAHRRAAELHELAAQAHRTAAEHNEKGDCPTSVWHSERALEYSDRAYKLAVEARNKS--------- >SRR5258705_10833459 ----AMHETHRKAAEQHELAAHAHRTAAEHNERGDNDTGNWHADRALEYSDRAYKLAQEAHSKS--------- >SRR5271155_3255843 ----LMHELHREAAEQHERAAQAHRTASEHNEKGDNPSGNWHAQRALQFSNRAYELAREAHNKS--------- >SRR5256885_13586733 ----MKHEAHRRAAEQHELAAQAHRTAAEHNEKGDNETGSWHADRALEYSDRAYEPAKEAHSKS--------- >ERR1039457_4229862 -MTQNLEEHHSRAAQHFDSAAEHHRAAEKAYVTGDLKTSAYEAQCAMGHSVQANDHADLAAMAHLEHHGLN-- >tr|A0A226X0S3|A0A226X0S3_9BURK Uncharacterized protein OS=Caballeronia sordidicola OX=196367 GN=BSU04_21575 PE=4 SV=1 --SLHVAEHHEAAAELHEHAARYLRQATKHYEEGKVALAAHEAQAAHAIALCAIDHSNEAAKHHAIR------ >SRR5438552_9601204 ------KDAHNTAAEHHEKAAKSHRTAAEHHGKSDNQAGHQHSTAALEHSTKAHEASKQAHEKSTQNKN---- >ERR1700686_3344577 ----KMKDAHNKAAEHHESAAKSHRAAAESFGRNDNVKGKEHATQAQHNAQNANENSKTA------------- >SRR5450759_2783561 ------KDAHNTAAQHHENAAKSHRTAAEHHGKGDHEAGHKHSQEAYDHSTKAHEASKKAHE----------- >ERR1035441_8005555 ------KDQHNTAADHHEKAAKSHRAAAEHHGKGDHEAGHRHSGEAQEHSKNAHQHSQDAHA----------- >SRR5450756_557274 ------QDAHHKAAEHHENAAKAHRTAAEHHGKGDHEAGKKHSATALEHSGKAHEATQAAHE----------- >ERR1700734_311097 ------KSEHEEAATHHENAAKSHRSAAEHHGRGSHEEGRKHSTSAHEHSGKAHEASKKAH------------ >ERR1035437_280669 ------KNEHQEAASHHENAAKSHRAAADHHGKGNHEEGKKHSAAAHEHSGKAQEASKTAH------------ >ERR1039457_5823228 ----TMHEAHRKAAEKHELAAQAHRTAAEHNEKGDSTAADWHSERAMQYSDHAYKLAMEAHSK---------- >SRR5690242_15786718 ----TMHETHHRAAEQHELTAHAHRTAAEHDEKGDTETGNWHAERGLAYSDRAYKLAMEAHTK---------- >SRR5580692_3629653 ----KMHENareHRKAAELHQLAAQAHRTAAEHNEKGDEAAGSWHSQRALEYSDQAYKLAKKAHAK---------- >SRR5579872_2516938 ----RVHESHQKAAEQHELAARAHRTAAEHNEKGDNPTGNWHSERALEYAEHAYRLAKDAHNTS--------- >SRR6185437_161601 ----RVHETHQKAAEQHELAARAHRTAAEHNERGDNPTGNWHSERAFEYAEHAYRLAKDAHNRS--------- >ERR1019366_7611031 ----IMQETHRQAAERHEMAARAHRTAAEHNEKGDNPSGNWHSERALEYAERAYKLAKDAHSKS--------- >ERR1700693_3320993 ----NMHENHRKAAEQHELAARSHRTAAEHNEKGDFTAAVWHSERALQYSDQAYRLAKEAHNKS--------- >SRR5271163_4018991 ----FMHELHREAAEQHELAARAHRTAAEHNEKGDNATGNWHSERALEYADRAYELAKKAHNKS--------- >SRR5580700_1525914 ----FMHELHRQAAEQHEMASRAHRTAAEHNEKGDNETGNWHSERAMEHSENAYKLAKEAHQKS--------- >ERR1700674_4905784 ----TMHELHREAAEQHKLAARAHRTAAEHNEKGDNPTGNWHATRALEYADQAYKLAKDAHNKS--------- >SRR5450755_1041639 ----IMHEEHRQAAEQHELAAHAHRTAAEHHEKGDEKGGSWHSQRAMEFSERAYKLAKEAHSKS--------- >SRR3984957_13701284 -------HDHHKAAAHHDEAAKSHRKAAEAHEKGDHADASQHSQIANDHSAKAYEASQSAH------------ >ERR1700685_3318198 -------HDHHKAAAHHDEAAKSHRNAAEAHEKGDQADASQHSQLAHDHSTQAHEASQSAH------------ >ERR1700722_3266946 -------HDHHKAATHHDEAAKAHRDAAEAHEKGNQADATQHSQLANDHSAKANEASNIAH------------ >ERR1700722_20372013 -------HDHHKAAEHHDEAAKAHRSAAEAHEKGDHADASQHSQIANDHSAKANEASNVAF------------ >SRR3984885_15921837 -------HDHHKAAAHHDEAAKSHRNAADAHEKGNQADASQHSQIGNDHSAKAHEASQSAH------------ >ERR1700722_6238913 -------HDHHKEAEHHEEAAKAHRDAAEAHEKGNQADASQHSQLAYDHSTKAHEASQRAH------------ >ERR1700722_5003591 -------HDHHKAAAHHEEAAKAHRSAAEAHEKGEQADASQHSQIANDHSIKAQEASNAAH------------ >SRR5271169_5076590 -----MKDARNKAAESHEAAAKSHRAAAESHSKNDHAKGKEHSKQAQQHAQNANEHSKTANNKS--------- >SRR4051794_13470881 -----PKDAHTKAAEQHETAAKTHRAAAQQHGSNDHSKGKQQAADALQQSKAAHQHSDDAHGKS--------- >tr|A0A127EN64|A0A127EN64_9RHIZ Uncharacterized protein OS=Rhodoplanes sp. Z2-YC6860 GN=RHPLAN_12460 PE=4 SV=1 -----PKDAHIKAAEHHETGAKSHRAAAQQHGSNDHSKGKQQSSEALQHSKVAHQHSDEAHGKS--------- >SRR5271168_4727755 -----ARDAHNKAAQHHESAAKSHKTAAEHHGKGEHARGREESAKAYAHSKSAHEHSEMAH------------ >ERR1700728_2926415 -----ARDAHTKAAQHHENAAKRHKTPAEHHGEGEHARGREESAKAHSHSKTAHEHSEMAH------------ >SRR5580700_6974991 ------HDSHRQAAELHELAAHAHRTAAEHNEKGDNETGNWHAERALEYSDRAYQLAKEAHAK---------- >SRR5579863_2279912 ------HETHRSAAEFHELAAHAHRTAAEHNERGDNETGNWHAERALEYSNRAYELAKEAHNK---------- >SRR5580693_7061096 ------HDTHQKIAELHELAAHAHRTAAEHNERGDNDTANWHAERALEYSDRAYQLAKDAHSK---------- >ERR1039458_7487882 ------QSLHREAAEYHDLAVHAHRTAAEHNEKGDSEAGNWHLDRAREYSDQAFKLAQDVHCK---------- >ERR1039458_3425906 ------QALHREAAEYHDLAAQAHRTAVEHNEKGDNETGNWHLDRAREYSDQAFKIAQDIQCK---------- >ERR1035441_3561326 ------RSLHREAAEYHDLAAQAHRTAAEHNEKGDNETGNWHLDRPRECSYQAFKLAQDVHCK---------- >ERR1039458_6934656 ------RSLHREAAEYHDLAAQPHRTAAEQIGRAHVXX----------------------------------- >SRR5271165_3251650 ----NMHEGHRLAAEQHELAARAHRTAAEHNEKGDGSAAIQHSERALEYSDRAYQLAKEAHNK---------- >SRR5579864_9452655 ----KMHDAHRKAAEEHERAAHAHRTAAEHNEKGENEAGNWHSERALEYSDHAYELAKEAHSK---------- >ERR1700686_4490454 ----TMHDLHRRAAEEHERAAHAHRTAAEHNEKGDDATGNWHSERALEYADRAHELAREAHTK---------- >tr|A0A1W2C3J3|A0A1W2C3J3_9BURK Uncharacterized protein OS=Polynucleobacter sp. VK13 OX=1938817 GN=SAMN06296008_11834 PE=4 SV=1 -------NYHDHAANHHEQAAKSHMEAARMRSLGNHEASANHALIAHGHALQALRYSEEAINEHAN------- >tr|A0A1J0D7C3|A0A1J0D7C3_9BURK Uncharacterized protein OS=Polynucleobacter asymbioticus OX=576611 GN=A4F89_09430 PE=4 SV=1 -------HFHGKAANHHEQAMKSHLEAARMRELGNHEASATHALVAHAHTLKALQNSEDAINEHAN------- >ERR1019366_9111953 -MSHHDHNRYRSAAEHHEHAANHYRRAETSGMAGDHIAAANHARTAHEHARQAAAFSGDADGGHDEHHGMK-- >ERR1035437_6137483 -MSHHDHERYRSAAEHHEHAANHYRRAETSGMAGDHIAAANHARTAHEHARQADAYAGEAAKSNDEHHGMN-- >ERR1035437_7818790 -MSHHDHNRYRSAAEHHEHAANHYRRAETSGMAGDHVAAANHARTAHEHARQAAAFSGEADESHDEHHGMN-- >SRR3979490_1267869 -------QAHTKAAEHHETAAKSHRAAAEQHGKNDHANGQEHSSQAQQHSKTAREHSETAHTKSS-------- >ERR1700752_190489 -------QAHTKAAEHHETAAKSHRAAAEQHGKNDHVKGHEHSSQVQLHSKSAREHSETAHGKSA-------- >ERR1700734_1853930 -----ARDEHNKAAEHHENAAKAHRSAAEHHGKGDHAKGKEHANVAKQHSQAANQHTEQAH------------ >SRR5882762_9456542 -----ARDEHNKAAEHHENAAKAHRSAAQHHGKGDHTKGKEHANVAKQHSQTANQHTDQAH------------ >ERR1700721_689871 ---------PNGRAQ--ECA----SDAERSRGDGERDRGW----VRKSNRRAAVQHHGQ-------------- >ERR1700735_832010 -------QSHTKAADHHESAAKSHRAAAEHHGKNDHMKGNEHAAEAQKHSKVAGAASDEAHA----------- >ERR1019366_4490127 ------KDAHLKAAEHHENAAKTHRLAAEHHGKGDHAAGKKQSATALEHSGKAHEASQAAH------------ >ERR1039458_7026760 ------KDAHLKAAEHHENAAKTHRLAAEHHGKGDHAAGKKQTATALEYSGKAHEASQAAH------------ >ERR1019366_5964583 ------KDANLKAAEHHENAEKTNRLAAGHKEKEDHAGGKKQSETALEPSGKPQETSKAAH------------ >ERR1700729_1498231 -----MKDAHNKAAEHHESAAKSHRAAAEAHDRNDHAKGKEHSGQAQQHAQNANEQTKTAH------------ >ERR1700735_457524 -----MKDAHNTAAEHHESAAKSHRAAAAAHGSNDHAKGKEHSTQDQQHATNDEE------------------ >tr|G9ELI3|G9ELI3_9GAMM Uncharacterized protein OS=Legionella drancourtii LLAP12 OX=658187 GN=LDG_5982 PE=4 SV=1 ----KLASYHADAAKHYEHAAKYHHEAQKHHLSGDHDKAALAAHKAQGHACCANGHAKKALKC---------- >ERR1019366_10459532 ---QKLRDAHRKAAEQHELAAKAHRTAAEHNEKGEDEAGRWHSERALEYSDRAYKLAKEAHNKS--------- >ERR1039457_2594544 ---KAMASEHGKAAEQRELAAHAHRTAADHNEKGENEAGSWHADRALEYSDHAYMLAKEAHNKS--------- >ERR1017187_2984396 -MTQNVEEHHGRAADHFDLAAEHHRAAEMASIAGDHKTAAHEAHCAHGHCVAATDHADLAAMGHVEQHDTH-- >ERR1700685_4321756 ------KDAHTSAAYHHERAAKSHRAAAEQSNKGAHDACVEHAVTACGHSTKADEASKLAL------------ >SRR6185312_10729741 ------RDAHTTAAYHHERAAKSHRAAAEQSNQGAHAVCAEHALTACGHSNKADEASKLAL------------ >ERR1700686_4148535 ------RDAHTTAAYHHERAAKSHRAAAEQSSKGAHEACEQHAVTACAHSMKADEASKLAL------------ >SRR5579862_2273143 ------KDAHTTAAYQHERAAKSHRAAAEQSNKGAHEACAQHAATACDHSTKADEASKAAL------------ >ERR1700690_2101855 ------KEAHTTAAYHHERAAKSHRAAAEQSNQGAHAACEEHALTACGHSTKADEASKIAH------------ >SRR5208337_2096126 ------NESHQRAAEFHELAAHAHRAAAAHHGKEDHQTGHEHSKQALEHARKAFEWSQEAHRKSAKAAG---- >ERR1700687_2569050 ------NESHQRAAEFHELAAHAHRAAAAHHGKEDHLTGHELSKQALEHANKASQWSQEAHRKSAKAAG---- >ERR1700733_13128378 ------RDSHQRAAEFHELAAHAHRAAAVHHGKEDHQPGHEHSKQALEHADKAFQASQEAHRKSAKSTG---- >ERR1700687_752579 ------NESHQRAAEFHELAAHAHRAAAAHHGKEDHQAGHEHPKQALEYSNKASEWTQEAHRKSEKSME---- >SRR5258707_15042374 ------NESHQKAAEFHELAAHAHRAAAAHHGKEDHQTGHDHSRQALEHATTAFQYSQEAHQKSEKAGI---- >SRR5713101_657853 ------NDSHQRAAEFHDLAAHAHRVAAAHHGKEDHLTGHELARQAMEHSAKAHQATQEALQESAKLAK---- >SRR5713101_2834890 ------NDSHQRAAEFHDLATHAHRVAAAHHGKEDHLTGHELARQAMEHSAKAHQATQEALQESAKLAK---- >SRR4029077_1283922 ------NDSHQRAAEFHDLAAHAHRVAAAHHGKEDHLSGHELARKAMEHSAKAHQASEEALHQSAVFIK---- >SRR3984893_12462898 ------EDSHRRAAEFHELAAHAHRVAAAHHDKEDHLTGHEHSKQAMEHSAKAHQSSQEALQKSVIFTE---- >SRR5271156_5420018 ------NDSHQRAAEFHEQAAHAHRAAATSHGKGDHLSGHELSRQALENAHKAFQWSQ--------------- >SRR5678816_4305783 ------QDSHRKAAEFHDMAAHAHRAAAVHHDKGDHKTGQQQSRKALEHATKAFELAQEAHRLSSAPKK---- >ERR1700675_2880414 -----MRDAHKKAAEQHELAARAHRTAAEHNEKGDNPTGKWHSERALEYADHAFELAKKAHNK---------- >SRR5450755_2771584 -----MHKLHREAAEQHELAAKEHRTAAEHNEKGDNPTGNWHTQRAVEYSNRAYELAKEAHNK---------- >SRR6266850_1864928 ------NNDHNKAAELHENAAKSHRAAAEQHSKGDHAKGMEHSKSAQQHSQSANKQSDQAN------------ >ERR1700676_4116006 ------KDAHNKAAEHHESAAKSHRAAAAAHGSNDHAKGKEYSTQAQQHAQNANEHSKTSQAKSAE------- >SRR5258707_184143 ------NQAHNRAAVFHENAARSHRIAAEHYANNDRAKGDEHAMQARAYSRSARDHSEQTHMK---------- >ERR1044071_6326665 ------NQAHTKAAEHHETAAKAHRLAAEHHGKNDHAKGNEHSGYAQTHSKSAREHSEQAHTK---------- >SRR5213078_2364262 ------NQAHTKAAEHHETAAKAHRLAAEHHVKNDHVKGNEHSAYAQTHSKSARDRSEQAHTK---------- >ERR1019366_4618907 -TKHPAIEHHHAAAAHHAAAAHHHLEAAHEHGQGKHEEAKQHSAAALEHSEQAHKHTVEAHKHS--------- >SRR5664279_4760768 -TKHPSVEQHHAAAGHHAAAAHHHLEAAHEQGQGKQEEAKQHSAAAHEHSE---------------------- >ERR1700679_12343 ----IIHELHREAAEKHELAAHAHRTAAEHNEKGDQAAGDWHSQRAMEYSDHAYKLAKEAHTK---------- >ERR1019366_1160250 ----ALHDAHRKAAEQHDMAAHAHRTAAEHNEKGDEDSGRWHAERALEYSDHAYKLAKEAHNK---------- >ERR1019366_1197723 ----AVHEEHLRAAEQHERAAKAHRTAAEHNEKGNGAEESWHSQRALEYSDHAYRLAKEAHSK---------- >ERR1700688_5101470 ----IMHDAHRKAAEQHELAARAHRTAAEHNEKGDHEGRDWHAARALEYSDNAYKLA---------------- >ERR1700676_867798 --EENVHDAHRKTAEQHELAAQAHRTAAEHNEKGENELGNWHLQRALEYSDHAYKLAQEAHSK---------- >ERR1700676_837832 --EENVHDAHRKTAEQHELAAQAHRTAAEHNEKGENELGNWHLQRALEYSDHAYKLAQESHSK---------- >SRR5580704_17448066 --EKKLHDAHRKAAEQHDLAAHAHRTAAEHNEKGENELGSWHLQRALEYSDHAYKLSQDAQTK---------- >ERR1700690_4019350 --ENAVHEEHRKAAEQHELAARAHRTAAEHNEKGENESGNWHAERALEYSDRAYTLAKEAHAK---------- >ERR1700678_3694437 --GNMMHDAHRKAAEQHELAAKAHRTAAEHNEKGENETGNWHSQRALEYSDHAYKLAKDAHTK---------- >SRR6202051_959840 --EKKLHDAHRKAAEQHYLSAHAHRTAPEHNQKGENELGNWHLQRALEYSDHAYKLAREAHSK---------- >SRR5579863_1142833 --RTTMHDFHRRAAEQHELAARAHRTAAEHNEKGENETGNWHAQRALEYSDRAYQLAQEAHTK---------- >ERR1700680_337363 --EENVHDAHREAAEQHELAAQAHRTAAEHNEKGDNAEGSWHSERALEYSNHAFKLAQEAHNK---------- >ERR1700689_1959300 --VTTMHDAHWKAAEQHELAARAHRTAAEHNEKGEDEAGRWHAERALEYSDHAYRLAKEAHTK---------- >SRR5271169_408185 --GNTMHDAHRKAAEQHELAARAHRTAAEHNEKGDNETGNWHLKRALEHSEHAYKLAKEAHDK---------- >SRR5580658_7139169 --ETPMQDAHRKAAEQHELAARAHRTAAEHNEKGDNEGGRWHAERALEYSDHAFRLAKEAHSK---------- >SRR6185369_2844766 ---------------PNTMK-----K-GTTRRHAGIRNERWSSPIARI----SWPRQP--------------- >ERR1700722_12608701 --EENMYDTHRQAADQHELAAHAHRTAAEHNEKGKNELGNWHLQRALEYSDHAYKLAKEAHSK---------- >SRR3984957_3206025 ---------HTPPSrRSARTCCARSSDGREHNEKGKNELGNWHLQRALEYSDHAYKLAKEAHSK---------- >GraSoiStandDraft_50_1057286.scaffolds.fasta_scaffold7233880_1 # 1 # 222 # 1 # ID=7233880_1;partial=11;start_type=Edge;rbs_motif=None;rbs_spacer=None;gc_cont=0.689 -----MSDTHRQAADQHELAAHAHRTAAEHNEKGKNDLVNWHLQRAAEYSDHAYKLAKKAHTI---------- >ERR1035438_3812566 ------QALHREAAEYHDLAAQAHRTAAEHNEKGDNEAGNWHLDRARAYSDQDFKVAQDVHC----------- >ERR1035441_5344174 ------HDLHRKAAEYHELAAQAHRTAAEHNEKGDNETGNWHSKRALEYSNQAFKLAQEAHG----------- >ERR1700675_786553 ------HVLHRKAAEAHELAAKSHRTAAEHNEKGDNETGNWHSQRALDYSEHAYRLAKEAHP----------- >ERR1700686_2254141 -----ADDSHQRAAELHEQAAHAHRAAAAHHGKEEHQTGQEHSKQAMEHSAKAYQQSLEADKQSayfATKHGKK-- >SRR3982074_2549457 -----ARDSHQRAAELHEQAAHAHRTAAAHHGKEDHQSGQEHSKQAMEHSAKAHEQSLEANKQSaffAKQHEKK-- >ERR1700734_1591532 --------DHHKAAAHHDEAAKSHRDAAVAHEEGDTERASQHSQIANDHSKKAQEASNAAHR----------- >ERR1700722_3394704 ----------QFRAALRGFESKSHRDAAAAHEEGDTEKASQHSQVANEHSKKAQEASNSAHQ----------- ================================================ FILE: vendor/openfold/tests/test_data/alignments/mgnify_hits.sto ================================================ # STOCKHOLM 1.0 #=GF ID query-i1 #=GF AU jackhmmer (HMMER 3.3.2) #=GS MGYP000406148242/1-68 DE [subseq from] PL=00 UP=0 BIOMES=0101000000000 #=GS MGYP000119383271/47-117 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000430010134/3-69 DE [subseq from] PL=00 UP=0 BIOMES=0000110000000 #=GS MGYP000184282189/1-71 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000372988949/3-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000222615028/3-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000384795733/25-88 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000680660046/4-73 DE [subseq from] PL=00 UP=0 BIOMES=0000110000000 #=GS MGYP000586297297/4-70 DE [subseq from] PL=00 UP=0 BIOMES=0000110000000 #=GS MGYP000526302968/5-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000081082088/4-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000172493671/1-71 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000694390052/2-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000246175980/4-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000358235060/4-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000635416234/5-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000656061151/3-65 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000718018739/4-64 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000234420019/4-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000689530757/1-71 DE [subseq from] PL=00 UP=0 BIOMES=0000100000000 #=GS MGYP000266820214/24-89 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000190165740/1-71 DE [subseq from] PL=00 UP=0 BIOMES=0000000000001 #=GS MGYP000589249599/4-69 DE [subseq from] PL=00 UP=0 BIOMES=0000110000000 #=GS MGYP000048618675/3-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000377290797/1-69 DE [subseq from] PL=00 UP=1 BIOMES=0110000000000 #=GS MGYP000697367932/3-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000747506700/4-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000255037255/6-64 DE [subseq from] PL=10 UP=0 BIOMES=0000101000000 #=GS MGYP000602985373/3-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000420186793/4-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000452617499/5-64 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000119404247/1-68 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000134149386/3-60 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000461455637/26-91 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000119389418/96-161 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000546988737/26-93 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000624371167/1-68 DE [subseq from] PL=00 UP=0 BIOMES=0101000000000 #=GS MGYP000650157322/5-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000246214200/7-73 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000113479303/34-96 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000187226991/3-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000381848663/3-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000066325489/28-89 DE [subseq from] PL=00 UP=0 BIOMES=0000000000001 #=GS MGYP000013251582/4-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000499794189/19-84 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000555816272/4-69 DE [subseq from] PL=00 UP=0 BIOMES=0000000000001 #=GS MGYP000653248377/3-70 DE [subseq from] PL=00 UP=0 BIOMES=0110000000000 #=GS MGYP000113511630/3-70 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP001057101778/4-69 DE [subseq from] PL=00 UP=0 BIOMES=1000000000000 #=GS MGYP000210824545/3-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000676742083/9-64 DE [subseq from] PL=10 UP=0 BIOMES=0000101000000 #=GS MGYP000545010933/4-70 DE [subseq from] PL=00 UP=0 BIOMES=0000110000000 #=GS MGYP000541064880/3-68 DE [subseq from] PL=00 UP=0 BIOMES=0000000000001 #=GS MGYP000541064880/99-161 DE [subseq from] PL=00 UP=0 BIOMES=0000000000001 #=GS MGYP000729801087/3-52 DE [subseq from] PL=10 UP=0 BIOMES=0000101000000 #=GS MGYP000715079888/40-96 DE [subseq from] PL=10 UP=0 BIOMES=0000101000000 #=GS MGYP000033872322/3-43 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 #=GS MGYP000464421157/4-69 DE [subseq from] PL=00 UP=0 BIOMES=0000101000000 query MAAHKGAEHHHK-AAEHHEQAAKHHHAAAEHHEKGE-HEQAAHHADTAYAHHKHAEEHAAQAAKHD-AEHHAPKPH MGYP000406148242/1-68 MATHKGAESHKK-AAEHHTTAAKHHTEAAKSHESGN-HEKAAHHAHTATAHGKHASDHSDDAAKTY-ASEH----- #=GR MGYP000406148242/1-68 PP 899*********.***********************.***************************98.8877..... MGYP000119383271/47-117 MATHKGTEHHKK-AAEHHELAAKHHREAAKLHEAGS-HEKAAHHAQIAAGHGLHAVYHTEEATKHH-ADEHTGK-- #=GR MGYP000119383271/47-117 PP 899*********.***********************.*****************************.**99866.. MGYP000430010134/3-69 ---KKAAEHHRK-AAEHHQNAAKHHNAAAESHEAGN-HEKAAHHAHTAHGHHTQAGEHGGEAAKAH-RDEHGQ--- #=GR MGYP000430010134/3-69 PP ...699******.***********************.***************************88.877765... MGYP000184282189/1-71 MPKHEGAEHHKK-AAEHHEKAAQHHKEAAKHHEEGR-HETAGHHAYVAHGHHLTAIQHSEEAAKYH-SQQHGEK-- #=GR MGYP000184282189/1-71 PP 568*********.***********************.****************************9.9999876.. MGYP000372988949/3-70 ---KKAAEHHLK-AAEHHEHAARHHKEAAKHHQAGS-YEKAAHHAHTARAHAEHADEHAVEAAKAH-AEEHGSK-- #=GR MGYP000372988949/3-70 PP ...699******.***********************.*****************************.**99865.. MGYP000222615028/3-68 ---KKAVEHHHK-AAEHHEHAARHHKEAAKHHEAGK-HETAAHHAHLARGHHEHAMHHAAEAAKAH-VEDHG---- #=GR MGYP000222615028/3-68 PP ...6899*****.***********************.***************************99.99986.... MGYP000384795733/25-88 ----SGSQQHDA-AAQHYEEAARHHRQAAKHYQASR-HEKAAHHAQLGYAHHLYAEQHAAEAAKAH-AKNH----- #=GR MGYP000384795733/25-88 PP ....6999****.***********************.***************************99.9998..... MGYP000680660046/4-73 -STHKGAEHHKE-AAAHHKKAAEHHLAAAEHHEAGD-HEKAGHHAHVAHGHHLNAVHHAEEAGKHHGAEHSGP--- #=GR MGYP000680660046/4-73 PP .57*********.***********************.**************************9752788777... MGYP000586297297/4-70 ----QAAEHHQK-AAEHHEHAARHHREAAAHHEEGN-HETAAHHAHTAQGHLHHATHHASEAAKHH-VEHHGNK-- #=GR MGYP000586297297/4-70 PP ....689*****.***********************.*****************************.****977.. MGYP000526302968/5-69 -----REEHHLK-AAEHHEHAAKHHLAAAEHHAGGD-HEKAGHHAHVAHGHSTHAEHHAEEASKHT-ANHDAA--- #=GR MGYP000526302968/5-69 PP .....469999*.***********************.*****************************.***985... MGYP000081082088/4-68 ----QAAEHHHK-AAEHHEHAARHHKEAAKHHEAGK-HETAAHHAHLARGHHEHAMHHAAEAAKAH-IQDHG---- #=GR MGYP000081082088/4-68 PP ....689*****.***********************.**************************977.66664.... MGYP000172493671/1-71 MTKHEGAEHHKQ-AAQQHQDAARHHLEAAKHHEAGA-HEKAGHHAHIAYGHHLQATHHAEEAAKHH-AMQHGDK-- #=GR MGYP000172493671/1-71 PP 678*********.***********************.*****************************.*999876.. MGYP000694390052/2-70 --SHAAAEHHKK-AAEHHEHAARHHQEAAKHHEAGN-HEKAAHHAHVAHGHHVHAVEHAEHAAKHH-AETHGAK-- #=GR MGYP000694390052/2-70 PP ..699*******.***********************.*****************************.**99865.. MGYP000246175980/4-68 ----QAAEHHHK-AAEHHEHAARHHKEAAKHHEAGK-HETAAHHAHLARGHHVHAMHHAGEAAKAH-IEDHG---- #=GR MGYP000246175980/4-68 PP ....689*****.***********************.***************************88.88885.... MGYP000358235060/4-70 ----QAAEHHGK-AAEHHEHAARHHREAANHHEAGD-HQQAAHHAHTAQGHLHHATHHSAEAAKLH-VEHHGHK-- #=GR MGYP000358235060/4-70 PP ....689*****.***********************.*****************************.****877.. MGYP000635416234/5-68 -----VADHHHK-AAEHHERAAKHHREAATHYESDR-HETAAHHAHMAHGHHQHAVHHASEAAKAH-IEHHD---- #=GR MGYP000635416234/5-68 PP .....489****.***********************.*****************************.****6.... MGYP000656061151/3-65 ---KKAAEHHRK-AAEHHEHAARHHKEAAKHHDAGA-HEKAAHHAHTAHAHHLHATHFADEAAKAH-AD------- #=GR MGYP000656061151/3-65 PP ...699******.***********************.**************************977.75....... MGYP000718018739/4-64 -----GAKHHNA-AAQHYEEAARHHRKAAELYQCGH-HEKVSHHANLASGHPLHAKQHAEEAAKAL-IE------- #=GR MGYP000718018739/4-64 PP .....99*****.***********************.**************************976.55....... MGYP000234420019/4-70 ----AAAEHHRK-AAEHHEHAARHHEEAAEHHESGA-HETAAHHAHSAQGHTHHALYHASEAAKEH-AEHHGDK-- #=GR MGYP000234420019/4-70 PP ....479*****.***********************.*****************************.****875.. MGYP000689530757/1-71 MPTHTGAEHHRK-AAEHHQLAAKHHLEAAKLHDAGS-HEKAAHHSEIAAGHGHHAVYHTEEATKQH-ADMNAEK-- #=GR MGYP000689530757/1-71 PP 578*********.***********************.****************************9.9999877.. MGYP000266820214/24-89 ---KKAAEHHLK-AAEHHEHAARHHKEAAKHHQAGS-HEKAAHHAHTARAHEEHAEFHSAEAAKAH-GQEHG---- #=GR MGYP000266820214/24-89 PP ...699******.***********************.**************************977.77775.... MGYP000190165740/1-71 MARHEGAEHHKQ-AAEHHQHAARHHLEAAKHHEAGA-HEKAGHHAHIAQGHHLHAIHHAEEAAKHH-AAQHGDK-- #=GR MGYP000190165740/1-71 PP 799*********.***********************.*****************************.*999876.. MGYP000589249599/4-69 ----QAAEHHTK-AAEHHQHAARHHLEAAKHHEAGR-HEAAGHHAHLAHGHHQHATHHASEAAKSH-IEHHGK--- #=GR MGYP000589249599/4-69 PP ....689*****.***********************.*****************************.****75... MGYP000048618675/3-70 ---KKASEHHRK-AAEHHKLAATHHEEAAAHYDKGN-HEKAAHHAHVAHGHTLHATHYAAEAAKMH-VEEHGSK-- #=GR MGYP000048618675/3-70 PP ...6899*****.***********************.***************************99.9999866.. MGYP000377290797/1-69 MSDHAGVEHYHK-AAEHHEHAARHHREAAKHHEEGN-HEKAAHHAHSAHGHASHAQHHHTEASRHH-AEHHG---- #=GR MGYP000377290797/1-69 PP 678*********.***********************.*****************************.****7.... MGYP000697367932/3-70 ---KKASEHHRK-AAEHHKLAATHHEEAAAHHDKGN-YEKAAHHAHVAHGHTHHATYHAAEAAKIH-AEDYGSK-- #=GR MGYP000697367932/3-70 PP ...6899*****.***********************.***************************99.9988765.. MGYP000747506700/4-68 ----QAAEHHHK-AAEHHEHAALHHKEAAKHHEAGK-HEMAAHHAHLARAHHEHAMHHAVEAVKAH-LQDHG---- #=GR MGYP000747506700/4-68 PP ....689*****.***********************.**************************977.76664.... MGYP000255037255/6-64 ---SKIAEHHTK-AAEHHETAAQHHREAAKHHEAGS-IEKAAHHAQVAYGHGAHAWNYQEEAAK------------ #=GR MGYP000255037255/6-64 PP ...5789*****.***********************.******************999999998............ MGYP000602985373/3-68 ---KKAVEHHNK-AAEHHEHAARHHKEAAKHHEAGK-HETAGHHAHLARGHQEHAMHHSAEAAKAH-IEDHS---- #=GR MGYP000602985373/3-68 PP ...6899*****.***********************.***************************99.98886.... MGYP000420186793/4-69 ----QAAEHHLK-AAEHHEHAAHHHKEAAKHHQGGS-HEKAAHHAHTARGHHEHAQHHAAEAAKAH-AQEHGN--- #=GR MGYP000420186793/4-69 PP ....689*****.***********************.***************************99.999975... MGYP000452617499/5-64 -----AAAHHLK-AVEHHEHAARHHREAAKHHEAGN-HEKAAHHAHLAHGHHLHATEYAGEAAKAH-I-------- #=GR MGYP000452617499/5-64 PP .....678999*.***********************.**************************965.5........ MGYP000119404247/1-68 MAGHKIHEHHEK-AADHHEHAAKHHREAAKHHKAGD-HEKAAHHSKVAHGHHLHATEHHDEASKKH-AEDH----- #=GR MGYP000119404247/1-68 PP 799*********.***********************.***************************99.9998..... MGYP000134149386/3-60 ---KKATEHHRK-AAEHHEHAARHHKEAAKHHEAGK-HETAAHHAHLARGHQERAAQQAAEAA------------- #=GR MGYP000134149386/3-60 PP ...6899*****.***********************.***********************998............. MGYP000461455637/26-91 -----AAKHHDL-AAQHYEEAARHHREAAQDYQSGR-HEKASHHAHLAYAHHLHAEQHAEEAAKAH-IKNHLDD-- #=GR MGYP000461455637/26-91 PP .....589****.***********************.***************************99.9999765.. MGYP000119389418/96-161 ---KQAAEHHRK-AAEHHEHAARHHKEAAKHHEAGK-HETAAHHAHLARAHHEVATHHAVEAAKAH-LEEHG---- #=GR MGYP000119389418/96-161 PP ...5689*****.***********************.***************************88.88775.... MGYP000546988737/26-93 ---EKAAEHHEK-AAEHNERAAQHHREAAKHHEEGH-HETAGHHAQIAHGHHLNATHHSEEAAKHH-AQQHGEK-- #=GR MGYP000546988737/26-93 PP ...589******.***********************.*****************************.****876.. MGYP000624371167/1-68 MAKHPGADYHRM-AAEHHEKAALHHKKAAEYYEAGN-LKKAAIHAELAAVFHKQADEHVYNKQEEI-DVHH----- #=GR MGYP000624371167/1-68 PP 799*********.***********************.*********************98877665.5566..... MGYP000650157322/5-70 -----ATEHHRR-AAEHHEHSAKHHKAVADHHEAGN-HEKAGHHASVAEGHLNHASHHAEEASKHH-AADHGHK-- #=GR MGYP000650157322/5-70 PP .....579****.***********************.*****************************.9999765.. MGYP000246214200/7-73 ----KIAEHHAQ-AAQHHEKAAEHHKEAAKHYGTGA-VEKGAHHAQVAQGHAVHAEYHADEAAKAH-AEHHAGK-- #=GR MGYP000246214200/7-73 PP ....779*****.***********************.*****************************.****976.. MGYP000113479303/34-96 --NHKGIENHRK-AAKHHEEAAKHHHDAAKHHEAGN-HDKACESTVKAHGHHCLASDHMREVSKQH-A-------- #=GR MGYP000113479303/34-96 PP ..5*********.***********************.**********************9999875.5........ MGYP000187226991/3-69 ---KKAADHHKQ-AAEHHTHAAKHHTEAARHHESGN-HEKAAHHAHSSRAHASQADDHAEQAAKAH-MDEHGK--- #=GR MGYP000187226991/3-69 PP ...689******.***********************.***************************88.888865... MGYP000381848663/3-69 ---KKAAEHHHK-ASEHHTHAARHHSEAAKHHEGGH-HEKAAHHAHTARAHALHSRHHSDEAAKMH-GEEHGK--- #=GR MGYP000381848663/3-69 PP ...699******.***********************.***************************99.999876... MGYP000066325489/28-89 ----KTIANHKQ-AARHHMEAAKHHMEAARHHEEGN-HEKAAHSTLLAYGHHTIAGEFVSDDAKHH-AQ------- #=GR MGYP000066325489/28-89 PP ....56678999.***********************.********************999999988.75....... MGYP000013251582/4-69 ----EAANHHKQ-AAEHHEHAARHHHEAAKHHLAGN-HEKAAHHAHLAHGHHVHATEHAENAAKEH-VKAHGA--- #=GR MGYP000013251582/4-69 PP ....57889999.***********************.***************************99.888865... MGYP000499794189/19-84 ---NDAAEHHRK-AAEHHEHAAAHHREAAEHHANGN-HEKAAHHAHIAHGHGLHAAHHAGEATKHH-ANTHG---- #=GR MGYP000499794189/19-84 PP ...5689*****.***********************.*****************************.*9986.... MGYP000555816272/4-69 -----EAAHHHKQAAEHHEHAARHHHEAAKHHEAGN-HEKAAHHAHLAHAHHVLAAEHAENAAKEH-LKAHGT--- #=GR MGYP000555816272/4-69 PP .....4555554399*********************.***************************99.888865... MGYP000653248377/3-70 ---KKAAEHHKK-ASEHLTHAARHHGEAAKHHEAGS-HEKAAHHAHTARAHIIHGRGHAEEAVKAH-AEEHGKK-- #=GR MGYP000653248377/3-70 PP ...699******.***********************.*****************************.**99865.. MGYP000113511630/3-70 ---KKAAEHHRK-AAEHHKHAAGHHEEAAAHHDKGN-HEKAAHHAHVAHGHTLHAAHHAEEAAKAH-VEEHGSK-- #=GR MGYP000113511630/3-70 PP ...699******.***********************.***************************99.9999866.. MGYP001057101778/4-69 ---DKIIEHHRS-AADHHEKAAQHHREAAKHHASDS-HEKAAHHAHSAHGHSAHATHHAGEASKHH-AEHHG---- #=GR MGYP001057101778/4-69 PP ...5678*****.***********************.*****************************.****6.... MGYP000210824545/3-69 ---KKAAESHKK-ASEHLTHAARHHTEAAKHHETGQ-HEKAAHHAHIARAHATHAREHSENAAKAH-LEEHGK--- #=GR MGYP000210824545/3-69 PP ...689******.***********************.***************************99.999976... MGYP000676742083/9-64 ------RDEHNK-AAEHHENAAKAHRSAAEHHGKGD-HAKGKQHADTAKQHSQTAHQHTDQAHS------------ #=GR MGYP000676742083/9-64 PP ......5789**.***********************.**********************99854............ MGYP000545010933/4-70 --KHPSTEHHTS-AAEEHDNASRHHRAAAKNYEEGK-HETAAHHAHSASGHSSNARDQAEEASRKH-AKQHG---- #=GR MGYP000545010933/4-70 PP ..58999*****.***********************.*************************9888.88775.... MGYP000541064880/3-68 -AEHNAAEHHGF-AAHHHQRAAQFHREASRHYEAGKDYAHAAHQALVAHGHALLAIDHGNEAGKYY-AG------- #=GR MGYP000541064880/3-68 PP .789********.*********************963789***********************997.64....... MGYP000541064880/99-161 ------SEHHAA-AADDHEQAAQHHAQAAKHLNEKD-YELAAHEAQLAHRHAHYSIFHDDEAAKHH-VEHYG---- #=GR MGYP000541064880/99-161 PP ......69****.***********************.**************999************.***86.... MGYP000729801087/3-52 ---KKVAEHHLK-AAEHLEHAARHHKEAAKHHEAGN-HEKAAHHAHIARAHHEHA--------------------- #=GR MGYP000729801087/3-52 PP ...5889*****.***********************.*****************7..................... MGYP000715079888/40-96 -----SAEYHKK-AANCHYEAAKHHNIAAKHHEAGN-HKKASEYALKAYWYHCLASEAEKEDVK------------ #=GR MGYP000715079888/40-96 PP .....69*****.***********************.***************998876655555............ MGYP000033872322/3-43 ---KKAAEHHRK-AAEHHEHAARHHKEAAKHHDAGA-HEKAAHHAH------------------------------ #=GR MGYP000033872322/3-43 PP ...699******.***********************.*******96.............................. MGYP000464421157/4-69 ----EAAEHHKH-AAEHLTHAARHHSEAAKHHEAGQ-HEKAAHHAHLAHGHQEHASEHAVEAAKKH-IEAHGN--- #=GR MGYP000464421157/4-69 PP ....689*****.***********************.***************************99.999875... #=GC PP_cons 7887889*****.***********************.**************************999.9998766.. #=GC RF xxxxxxxxxxxx.xxxxxxxxxxxxxxxxxxxxxxx.xxxxxxxxxxxxxxxxxxxxxxxxxxxxx.xxxxxxxxx // ================================================ FILE: vendor/openfold/tests/test_data/alignments/pdb70_hits.hhr ================================================ Query query Match_columns 73 No_of_seqs 55 out of 57 Neff 2.88591 Searched_HMMs 80799 Date Thu Dec 30 19:40:02 2021 Command /home/ga122/openfold/lib/conda/envs/openfold_venv/bin/hhsearch -i /tmp/tmpedq9nsbw/query.a3m -o /tmp/tmpedq9nsbw/output.hhr -maxseq 1000000 -d /data/ga122/alphafold/pdb70/pdb70 No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM 1 1HF9_B ATPASE INHIBITOR (MITOC 7.5 3.8E+02 0.0047 16.2 0.0 22 7-28 10-31 (41) 2 2CRB_A nuclear receptor bindin 6.4 4.7E+02 0.0058 18.0 0.0 20 11-30 32-51 (97) 3 4ZEY_A nuclear receptor bindin 6.3 4.7E+02 0.0059 17.3 0.0 20 11-30 26-45 (84) 4 3U8V_A Metal-binding protein s 4.1 8.1E+02 0.01 17.3 0.0 32 15-46 50-81 (93) 5 1PSM_A SPAM-H1 (RESIDUES 90 - 1.9 2.1E+03 0.026 13.4 0.0 18 11-28 14-31 (38) 6 5KC1_F Autophagy-related prote 1.5 2.7E+03 0.033 16.9 0.0 17 12-28 25-41 (226) 7 5KC1_J Autophagy-related prote 1.5 2.7E+03 0.033 16.9 0.0 17 12-28 25-41 (226) 8 3ZEE_A PARTITIONING DEFECTIVE 1.1 3.8E+03 0.046 12.5 0.0 15 58-72 30-44 (84) 9 4I6P_A Partitioning defective 1.0 4.3E+03 0.054 12.4 0.0 16 57-72 32-47 (88) 10 2Q2K_A Hypothetical protein/DN 1.0 4.3E+03 0.054 13.4 0.0 17 56-72 54-70 (70) No 1 >1HF9_B ATPASE INHIBITOR (MITOCHONDRIAL); ATPASE INHIBITOR, F1 ATPASE INHIBITOR; NMR {BOS TAURUS} SCOP: h.4.8.1 Probab=7.51 E-value=3.8e+02 Score=16.19 Aligned_cols=22 Identities=23% Similarity=0.398 Sum_probs=13.1 Template_Neff=4.500 Q query 7 AEHHHKAAEHHEQAAKHHHAAA 28 (73) Q Consensus 7 aEhH~kAAeHHe~AA~HH~eAA 28 (73) .++|++-++.|+.|.+-|++-. T Consensus 10 I~~He~qIk~heeaI~RHk~~i 31 (41) T 1HF9_B 10 ISHHAKEIERLQKEIERHKQSI 31 (41) T ss_dssp HHHHHHHHHHHHHHHHHHHHHH T ss_pred HHHHHHHHHHHHHHHHHHHHHH Confidence 3456666666666666665543 No 2 >2CRB_A nuclear receptor binding factor 2; NRBF-2, MIT domain, helix bundle; NMR {Mus musculus} SCOP: a.7.16.1 Probab=6.35 E-value=4.7e+02 Score=18.01 Aligned_cols=20 Identities=20% Similarity=0.165 Sum_probs=11.0 Template_Neff=5.700 Q query 11 HKAAEHHEQAAKHHHAAAEH 30 (73) Q Consensus 11 ~kAAeHHe~AA~HH~eAAkH 30 (73) ..|++-|.+|++...+|.+- T Consensus 32 ~~Aie~H~kAA~~f~~A~~~ 51 (97) T 2CRB_A 32 EEAISCHRKATTYLSEAMKL 51 (97) T ss_dssp HHHHHHHHHHHHHHHHHHTT T ss_pred HHHHHHHHHHHHHHHHHHHc Confidence 34555556666555555543 No 3 >4ZEY_A nuclear receptor binding factor 2; Structural Genomics, Joint Center for; HET: SO4, MSE; 1.5A {Homo sapiens} Probab=6.31 E-value=4.7e+02 Score=17.29 Aligned_cols=20 Identities=25% Similarity=0.200 Sum_probs=10.8 Template_Neff=6.200 Q query 11 HKAAEHHEQAAKHHHAAAEH 30 (73) Q Consensus 11 ~kAAeHHe~AA~HH~eAAkH 30 (73) ..|++-|.+|+....+|.+- T Consensus 26 ~~A~e~H~~AA~~f~~A~~~ 45 (84) T 4ZEY_A 26 EEAISCHKKAAAYLSEAMKL 45 (84) T ss_dssp HHHHHHHHHHHHHHHHHHTT T ss_pred HHHHHHHHHHHHHHHHHHHh Confidence 44555555555555555543 No 4 >3U8V_A Metal-binding protein smbP; four helical bundle, metal chaperone; 1.9A {Nitrosomonas europaea} Probab=4.11 E-value=8.1e+02 Score=17.29 Aligned_cols=32 Identities=34% Similarity=0.433 Sum_probs=15.8 Template_Neff=4.400 Q query 15 EHHEQAAKHHHAAAEHHEKGEHEQAAHHADTA 46 (73) Q Consensus 15 eHHe~AA~HH~eAAkHheaG~HekAahhAh~A 46 (73) +|-..+.++-.+|.++-..|+-+.|..++-.| T Consensus 50 ~H~~~aik~LeeAI~hgk~ghad~A~kha~~A 81 (93) T 3U8V_A 50 THVGHGIKHLEDAIKHGEEGHVGVATKHAQEA 81 (93) T ss_dssp CHHHHHHHHHHHHHHHHHTTCHHHHHHHHHHH T ss_pred hHHHHHHHHHHHHHHHHHcCcHHHHHHHHHHH Confidence 34444455555555555555555544444433 No 5 >1PSM_A SPAM-H1 (RESIDUES 90 - 127; POLYMORPHIC ANTIGEN; NMR {Plasmodium falciparum} SCOP: j.18.1.1 Probab=1.89 E-value=2.1e+03 Score=13.41 Aligned_cols=18 Identities=39% Similarity=0.433 Sum_probs=8.0 Template_Neff=1.300 Q query 11 HKAAEHHEQAAKHHHAAA 28 (73) Q Consensus 11 ~kAAeHHe~AA~HH~eAA 28 (73) .+|++--|+|++.=.+|+ T Consensus 14 e~aa~dae~a~k~ae~a~ 31 (38) T 1PSM_A 14 EQAAKDAENASKEAEEAA 31 (38) T ss_dssp HSTTTTTTHHHHHTTTTT T ss_pred HHHHHHHHHHHHHHHHHH Confidence 444444444444444443 No 6 >5KC1_F Autophagy-related protein 38; Atg38, coiled-coil, dimerization, NRBF2, autophagy; HET: NO3, NH4, EDO, NA; 2.2A {Saccharomyces cerevisiae} Probab=1.52 E-value=2.7e+03 Score=16.87 Aligned_cols=17 Identities=12% Similarity=0.040 Sum_probs=0.0 Template_Neff=5.100 Q query 12 KAAEHHEQAAKHHHAAA 28 (73) Q Consensus 12 kAAeHHe~AA~HH~eAA 28 (73) .|++-|.+|++.-.+|. T Consensus 25 eAie~h~kAAe~l~~a~ 41 (226) T 5KC1_F 25 NAKAKYQEAIEVLGPQN 41 (226) T ss_dssp ----------------- T ss_pred HHHHHHHHHHHHHHHHH Confidence 34444444444444443 No 7 >5KC1_J Autophagy-related protein 38; Atg38, coiled-coil, dimerization, NRBF2, autophagy; HET: NA, NO3, EDO, NH4; 2.2A {Saccharomyces cerevisiae} Probab=1.52 E-value=2.7e+03 Score=16.87 Aligned_cols=17 Identities=12% Similarity=0.040 Sum_probs=0.0 Template_Neff=5.100 Q query 12 KAAEHHEQAAKHHHAAA 28 (73) Q Consensus 12 kAAeHHe~AA~HH~eAA 28 (73) .|++-|.+|++.-.+|. T Consensus 25 eAie~h~kAAe~l~~a~ 41 (226) T 5KC1_J 25 NAKAKYQEAIEVLGPQN 41 (226) T ss_dssp ----------------- T ss_pred HHHHHHHHHHHHHHHHH Confidence 34444444444444443 No 8 >3ZEE_A PARTITIONING DEFECTIVE 3 HOMOLOG; CELL CYCLE; 6.1A {RATTUS NORVEGICUS} Probab=1.14 E-value=3.8e+03 Score=12.49 Aligned_cols=15 Identities=27% Similarity=0.237 Sum_probs=7.4 Template_Neff=7.600 Q query 58 AQAAKHDAEHHAPKP 72 (73) Q Consensus 58 ~eAak~ha~~H~~kp 72 (73) .+|.+.|....+.+| T Consensus 30 ~~a~~Ry~~~~~~~~ 44 (84) T 3ZEE_A 30 QQAVTRYRKAVAKDP 44 (84) T ss_dssp HHHHHHHHHHHCSSS T ss_pred HHHHHHHHHHcCCCc Confidence 455555555544433 No 9 >4I6P_A Partitioning defective 3 homolog; PB1 like motif, DUF3534, Cell; 2.9A {Rattus norvegicus} Probab=1.01 E-value=4.3e+03 Score=12.37 Aligned_cols=16 Identities=25% Similarity=0.206 Sum_probs=0.0 Template_Neff=7.500 Q query 57 AAQAAKHDAEHHAPKP 72 (73) Q Consensus 57 a~eAak~ha~~H~~kp 72 (73) +.+|.+.|....+.+| T Consensus 32 ~~~a~~Ry~~~~~~~~ 47 (88) T 4I6P_A 32 IQQAVTRYRKAVAKDP 47 (88) T ss_dssp HHHHHHHHHHHHCCCT T ss_pred HHHHHHHHHHHcCCCc No 10 >2Q2K_A Hypothetical protein/DNA Complex; protein-DNA, partition, segregation, parB, DNA; HET: EPE; 3.0A {Staphylococcus aureus} Probab=1.01 E-value=4.3e+03 Score=13.41 Aligned_cols=17 Identities=24% Similarity=0.343 Sum_probs=0.0 Template_Neff=1.100 Q query 56 HAAQAAKHDAEHHAPKP 72 (73) Q Consensus 56 Ha~eAak~ha~~H~~kp 72 (73) |-.||-+.|.++-|..| T Consensus 54 hireal~ryiee~g~~p 70 (70) T 2Q2K_A 54 HIREALRRYIEEIGENP 70 (70) T ss_dssp HHHHHHHHHHHHCCHHC T ss_pred HHHHHHHHHHHHHCCCC ================================================ FILE: vendor/openfold/tests/test_data/alignments/uniref90_hits.sto ================================================ # STOCKHOLM 1.0 #=GF ID query-i1 #=GF AU jackhmmer (HMMER 3.3.2) #=GS UniRef90_D7BIZ4/1-73 DE [subseq from] Uncharacterized protein n=1 Tax=Meiothermus silvanus (strain ATCC 700542 / DSM 9946 / VI-R2) TaxID=526227 RepID=D7BIZ4_MEISD #=GS UniRef90_A0A345WS72/1-69 DE [subseq from] Uncharacterized protein n=1 Tax=Sphingomonas sp. FARSPH TaxID=2219696 RepID=A0A345WS72_9SPHN #=GS UniRef90_A0A1F2V377/4-68 DE [subseq from] Uncharacterized protein n=1 Tax=Acidobacteria bacterium RIFCSPLOWO2_12_FULL_60_22 TaxID=1797188 RepID=A0A1F2V377_9BACT #=GS UniRef90_A0A3C0R222/4-69 DE [subseq from] Alpha-carbonic anhydrase domain-containing protein n=1 Tax=Spartobacteria bacterium TaxID=2052183 RepID=A0A3C0R222_9BACT #=GS UniRef90_A0A3G2VJ28/2-67 DE [subseq from] Uncharacterized protein n=1 Tax=Methylobacterium brachiatum TaxID=269660 RepID=A0A3G2VJ28_9RHIZ #=GS UniRef90_A0A317IC02/3-67 DE [subseq from] Uncharacterized protein n=1 Tax=Candidatus Melainabacteria bacterium TaxID=2052166 RepID=A0A317IC02_9BACT #=GS UniRef90_A0A4P6K0I8/4-69 DE [subseq from] Uncharacterized protein n=1 Tax=Ktedonosporobacter rubrisoli TaxID=2509675 RepID=A0A4P6K0I8_9CHLR #=GS UniRef90_A0A142HH28/3-70 DE [subseq from] Uncharacterized protein n=1 Tax=Hymenobacter sp. PAMC 26554 TaxID=1484116 RepID=A0A142HH28_9BACT #=GS UniRef90_A0A402A866/4-68 DE [subseq from] Uncharacterized protein n=1 Tax=Tengunoibacter tsumagoiensis TaxID=2014871 RepID=A0A402A866_9CHLR #=GS UniRef90_UPI00131BC0F4/3-69 DE [subseq from] hypothetical protein n=1 Tax=Acidisphaera sp. S103 TaxID=1747223 RepID=UPI00131BC0F4 #=GS UniRef90_A0A5E6MFW5/5-71 DE [subseq from] Uncharacterized protein n=1 Tax=Methylacidimicrobium tartarophylax TaxID=1041768 RepID=A0A5E6MFW5_9BACT #=GS UniRef90_A0A6M1MC51/1-69 DE [subseq from] Uncharacterized protein n=1 Tax=Methylobacterium sp. DB0501 TaxID=2709665 RepID=A0A6M1MC51_9RHIZ #=GS UniRef90_A0A368HF25/2-66 DE [subseq from] Uncharacterized protein n=1 Tax=Acidiferrobacter thiooxydans TaxID=163359 RepID=A0A368HF25_9GAMM #=GS UniRef90_A0A2N3PRK8/17-83 DE [subseq from] Uncharacterized protein n=1 Tax=Telmatospirillum siberiense TaxID=382514 RepID=A0A2N3PRK8_9PROT #=GS UniRef90_A0A2N3PRK8/115-180 DE [subseq from] Uncharacterized protein n=1 Tax=Telmatospirillum siberiense TaxID=382514 RepID=A0A2N3PRK8_9PROT #=GS UniRef90_A0A7Y3P168/15-76 DE [subseq from] Uncharacterized protein n=1 Tax=Bacteroidia bacterium TaxID=2044936 RepID=A0A7Y3P168_9BACT #=GS UniRef90_A0A4R8DP52/4-70 DE [subseq from] Uncharacterized protein n=1 Tax=Dinghuibacter silviterrae TaxID=1539049 RepID=A0A4R8DP52_9BACT #=GS UniRef90_A0A1I4D138/7-73 DE [subseq from] Uncharacterized protein n=1 Tax=Methylocapsa palsarum TaxID=1612308 RepID=A0A1I4D138_9RHIZ #=GS UniRef90_UPI0011BDFA18/9-74 DE [subseq from] hypothetical protein n=1 Tax=Adhaeribacter aerolatus TaxID=670289 RepID=UPI0011BDFA18 #=GS UniRef90_A0A1Q3KM49/4-69 DE [subseq from] Uncharacterized protein n=1 Tax=Alphaproteobacteria bacterium 65-37 TaxID=1895711 RepID=A0A1Q3KM49_9PROT #=GS UniRef90_A0A225DK00/3-70 DE [subseq from] Uncharacterized protein n=1 Tax=Fimbriiglobus ruber TaxID=1908690 RepID=A0A225DK00_9BACT #=GS UniRef90_A0A3E1NFY1/4-67 DE [subseq from] Uncharacterized protein n=1 Tax=Deminuibacter soli TaxID=2291815 RepID=A0A3E1NFY1_9BACT #=GS UniRef90_UPI0015707348/3-70 DE [subseq from] hypothetical protein n=1 Tax=Hymenobacter sp. 9A TaxID=2735894 RepID=UPI0015707348 #=GS UniRef90_A0A7G4RF23/9-68 DE [subseq from] Uncharacterized protein n=1 Tax=Legionella sp. PC997 TaxID=2755562 RepID=A0A7G4RF23_9GAMM #=GS UniRef90_A0A177QKT9/4-69 DE [subseq from] Uncharacterized protein n=1 Tax=Nitrospira sp. SCGC AG-212-E16 TaxID=1799664 RepID=A0A177QKT9_9BACT #=GS UniRef90_UPI000A0039BF/3-69 DE [subseq from] hypothetical protein n=1 Tax=Bradyrhizobium sp. NAS80.1 TaxID=1680159 RepID=UPI000A0039BF #=GS UniRef90_A0A537SU55/5-72 DE [subseq from] Uncharacterized protein n=1 Tax=Alphaproteobacteria bacterium TaxID=1913988 RepID=A0A537SU55_9PROT #=GS UniRef90_UPI0009DA3672/5-71 DE [subseq from] hypothetical protein n=2 Tax=Verrucomicrobia TaxID=74201 RepID=UPI0009DA3672 #=GS UniRef90_UPI000943D660/10-75 DE [subseq from] hypothetical protein n=1 Tax=Rufibacter TaxID=1379908 RepID=UPI000943D660 #=GS UniRef90_A0A2K8YE90/1-69 DE [subseq from] Uncharacterized protein n=5 Tax=Bradyrhizobium TaxID=374 RepID=A0A2K8YE90_9BRAD #=GS UniRef90_A0A2W6AI54/4-69 DE [subseq from] Uncharacterized protein n=1 Tax=Candidatus Dormibacteraeota bacterium TaxID=2052315 RepID=A0A2W6AI54_9BACT #=GS UniRef90_UPI001AECAC8A/84-146 DE [subseq from] hypothetical protein n=2 Tax=Beijerinckia sp. 28-YEA-48 TaxID=1882748 RepID=UPI001AECAC8A #=GS UniRef90_A0A411HJN1/1-70 DE [subseq from] Uncharacterized protein n=1 Tax=Pseudolysobacter antarcticus TaxID=2511995 RepID=A0A411HJN1_9GAMM #=GS UniRef90_A0A7D4C1D1/3-70 DE [subseq from] Uncharacterized protein n=1 Tax=Hymenobacter sp. BRD128 TaxID=2675878 RepID=A0A7D4C1D1_9BACT #=GS UniRef90_A0A3S0S9L9/2-68 DE [subseq from] Uncharacterized protein n=1 Tax=Hyphomicrobium sp. TaxID=82 RepID=A0A3S0S9L9_HYPSQ #=GS UniRef90_UPI0015F67598/3-69 DE [subseq from] hypothetical protein n=2 Tax=Rhodospirillales incertae sedis TaxID=451274 RepID=UPI0015F67598 #=GS UniRef90_A0A2W5ZIQ4/3-69 DE [subseq from] Uncharacterized protein n=1 Tax=Candidatus Dormibacteraeota bacterium TaxID=2052315 RepID=A0A2W5ZIQ4_9BACT #=GS UniRef90_A0A5C1ACH7/3-69 DE [subseq from] Uncharacterized protein n=2 Tax=Gemmataceae TaxID=1914233 RepID=A0A5C1ACH7_9BACT #=GS UniRef90_A0A7X8SVC5/4-59 DE [subseq from] Uncharacterized protein n=1 Tax=Rhizobium sp. P38BS-XIX TaxID=2726740 RepID=A0A7X8SVC5_9RHIZ #=GS UniRef90_UPI001647FE78/10-75 DE [subseq from] hypothetical protein n=1 Tax=Rufibacter TaxID=1379908 RepID=UPI001647FE78 #=GS UniRef90_A0A534V5G6/4-70 DE [subseq from] Uncharacterized protein n=1 Tax=Deltaproteobacteria bacterium TaxID=2026735 RepID=A0A534V5G6_9DELT #=GS UniRef90_A0A7D3WQ23/3-70 DE [subseq from] Uncharacterized protein n=3 Tax=Hymenobacter TaxID=89966 RepID=A0A7D3WQ23_9BACT #=GS UniRef90_UPI00067F5429/4-57 DE [subseq from] hypothetical protein n=1 Tax=Bradyrhizobium viridifuturi TaxID=1654716 RepID=UPI00067F5429 #=GS UniRef90_G3IVL7/18-76 DE [subseq from] Uncharacterized protein n=2 Tax=Methylobacter tundripaludum TaxID=173365 RepID=G3IVL7_METTV #=GS UniRef90_A0A431QXA7/3-69 DE [subseq from] Uncharacterized protein n=2 Tax=Bradyrhizobiaceae TaxID=41294 RepID=A0A431QXA7_9BRAD #=GS UniRef90_A0A2V7ZTA3/4-68 DE [subseq from] Uncharacterized protein n=2 Tax=unclassified Acidobacteria TaxID=305072 RepID=A0A2V7ZTA3_9BACT #=GS UniRef90_A0A516TLI4/49-117 DE [subseq from] Uncharacterized protein n=2 Tax=Methylacidiphilum kamchatkense TaxID=431057 RepID=A0A516TLI4_9BACT #=GS UniRef90_UPI00155D9B40/8-70 DE [subseq from] hypothetical protein n=1 Tax=Leptospirillum ferrooxidans TaxID=180 RepID=UPI00155D9B40 #=GS UniRef90_A0A2H9SEK4/12-70 DE [subseq from] Uncharacterized protein n=1 Tax=Legionella sp. TaxID=459 RepID=A0A2H9SEK4_9GAMM #=GS UniRef90_A0A1H1JX39/3-70 DE [subseq from] Uncharacterized protein n=3 Tax=unclassified Rhizobiales TaxID=41292 RepID=A0A1H1JX39_9RHIZ #=GS UniRef90_UPI000975F98E/3-57 DE [subseq from] hypothetical protein n=2 Tax=Bradyrhizobium TaxID=374 RepID=UPI000975F98E #=GS UniRef90_A0A142H998/3-70 DE [subseq from] Uncharacterized protein n=3 Tax=unclassified Hymenobacter TaxID=2615202 RepID=A0A142H998_9BACT #=GS UniRef90_UPI00031CAACE/3-70 DE [subseq from] hypothetical protein n=2 Tax=Zavarzinella formosa TaxID=360055 RepID=UPI00031CAACE #=GS UniRef90_S9SB59/5-73 DE [subseq from] Uncharacterized protein n=2 Tax=Magnetospirillum fulvum TaxID=1082 RepID=S9SB59_MAGFU #=GS UniRef90_I0IMJ9/13-73 DE [subseq from] Uncharacterized protein n=1 Tax=Leptospirillum ferrooxidans (strain C2-3) TaxID=1162668 RepID=I0IMJ9_LEPFC #=GS UniRef90_A0A2Z3R562/2-66 DE [subseq from] Uncharacterized protein n=1 Tax=Acidiferrobacter sp. SPIII_3 TaxID=1281578 RepID=A0A2Z3R562_9GAMM query MAAHKGAEHHHKAAEHHEQAAKHHHAAAEHHEKG-EHEQAAHHADTAYAHHKHAEEHAAQAAK-HDA-EHHAPKPH UniRef90_D7BIZ4/1-73 MAAHKGAEHHHKAAEHHEQAAKHHHAAAEHHEKG-EHEQAAHHADTAYAHHKHAEEHAAQAAK-HDA-EHHAPKPH #=GR UniRef90_D7BIZ4/1-73 PP 89********************************.****************************.***.*******9 UniRef90_A0A345WS72/1-69 MAEHKGAEHHRTAAEHHEHAAKHHRSAAEQHEAG-NHEKAGHHAAAAGGHASHAREHGEQASR-HHA-EHHG---- #=GR UniRef90_A0A345WS72/1-69 PP 799*******************************.****************************.***.***6.... UniRef90_A0A1F2V377/4-68 ----TGAEHHEAAAQHHEQAARHHHEAAKQDHSG-HHEKAGHYAHLAYAHFKHAEQHAAEAAK-THA-KNHT---- #=GR UniRef90_A0A1F2V377/4-68 PP ....69****************************.****************************.999.9995.... UniRef90_A0A3C0R222/4-69 ----KLKEHHTKAAEHHEHAAKHHRKAAEHHVSG-KHETAAHHAHLAHGHHMHARHHATEAAK-RHV-ELHGN--- #=GR UniRef90_A0A3C0R222/4-69 PP ....6679**************************.****************************.*99.99975... UniRef90_A0A3G2VJ28/2-67 --AHQGAEHHHKAAEHHEKAAQHHREAAKHHESG-NHEKAAHHAHTAHGHATHASHHHTEASR-HHA-EQH----- #=GR UniRef90_A0A3G2VJ28/2-67 PP ..8*******************************.****************************.***.*99..... UniRef90_A0A317IC02/3-67 ---KKASEHHKKAAEHHRKAADHHEQASKHHDSG-SHEKAAHHAQTATGHHLHAEHHAHEATK-CHS-DEY----- #=GR UniRef90_A0A317IC02/3-67 PP ...6899***************************.**************************99.666.555..... UniRef90_A0A4P6K0I8/4-69 --NHPSVEHHKKAAEHHTKAAEHHTKAAEHHTKG-EHEAAAHHAHLAHGHHAQATEHANEAAK-KHA-SHT----- #=GR UniRef90_A0A4P6K0I8/4-69 PP ..58999***************************.****************************.999.996..... UniRef90_A0A142HH28/3-70 ---KKAADSHKKAAEHHTEAAKHHTEAAKHHEAG-SHEKAAHHAHTAAAHKDHATEHATTARK-AHA-EEHGKK-- #=GR UniRef90_A0A142HH28/3-70 PP ...6899***************************.****************************.***.*99865.. UniRef90_A0A402A866/4-68 --GHPSIEHHRKAAEHHRKAAEHHEKAAEHHAKG-EHETAASHAHMAHGHHIQATEHLEEAAKKHTA-Q------- #=GR UniRef90_A0A402A866/4-68 PP ..6999****************************.************************99862665.5....... UniRef90_UPI00131BC0F4/3-69 --NHQGATHHKKAAEHHEMAAKHHAQAAHHHESG-EHEAAGHHAHAAAGHAAHAKDHAEHAAK-HHA-ETHA---- #=GR UniRef90_UPI00131BC0F4/3-69 PP ..6*******************************.****************************.***.***8.... UniRef90_A0A5E6MFW5/5-71 -----IAEHHEKAAMHHEHAATHHKKAAEHHRKG-EHVESGHHAHIAHGHAEHAEVHAKEAAK-EEA-TVHDKEP- #=GR UniRef90_A0A5E6MFW5/5-71 PP .....59***************************.****************************.***.9997665. UniRef90_A0A6M1MC51/1-69 MATHQGAEHHKKAAEHHEHAARHHREAAKHYEAG-SHEKAAHHAHTAHGHASHATHHHTEASR-HHA-EQHG---- #=GR UniRef90_A0A6M1MC51/1-69 PP 899*******************************.****************************.***.*996.... UniRef90_A0A368HF25/2-66 ---HEGAEHHKNAAKHHTEAAKHHTEAAKHHDAG-QHEKAAHHAHLAYAHSVHAAHYREEAAK-HYA-AHN----- #=GR UniRef90_A0A368HF25/2-66 PP ...9******************************.****************************.***.996..... UniRef90_A0A2N3PRK8/17-83 --EHRAAEHHRSAVSHHEAAARYHREASKHYQIGHDHAHAAHQALIALGQAWQAVDHAKTANG-YYA-DHD----- #=GR UniRef90_A0A2N3PRK8/17-83 PP ..59****************************995699********************99999.999.885..... UniRef90_A0A2N3PRK8/115-180 ------AEHHAVAADNHEQAAKHHRRAAQHCDEK-NYMMAACEAHLAHGHAQHSIFHGIEAAK-HHV-DHQTQNP- #=GR UniRef90_A0A2N3PRK8/115-180 PP ......89**************************.****************************.***.**98776. UniRef90_A0A7Y3P168/15-76 ---NKGIENHKKAAKHHEEAAKHHHEAAKHHEAG-NHDKAFESTIKAYGHHCLANEAQ----R-EDL-KHHA---- #=GR UniRef90_A0A7Y3P168/15-76 PP ...79*****************************.****************9988754....5.566.6665.... UniRef90_A0A4R8DP52/4-70 ----EHAEHHKKAASHSEKAAEHHHEAAKHYEAG-DHEAGAHHAHAAHAHHLHAEDHAKHAAK-LHA-EHHGEK-- #=GR UniRef90_A0A4R8DP52/4-70 PP ....569***************************.****************************.***.***865.. UniRef90_A0A1I4D138/7-73 ----KIAEHHTQAAQHHEKAAEHYKEAAKHHETG-AVEKGAHHAQVSQGHAVHAEYHADEAAK-AHA-QHHANK-- #=GR UniRef90_A0A1I4D138/7-73 PP ....779***************************.****************************.***.***976.. UniRef90_UPI0011BDFA18/9-74 ---KKSAEHHQIAADHLEQAAKNHRAAAEHLAAG-DHQKAAHHGYTAYGLSSHAQYHAQQAAL-HHS-HEHK---- #=GR UniRef90_UPI0011BDFA18/9-74 PP ...4789***************************.***************************9.877.5553.... UniRef90_A0A1Q3KM49/4-69 ---DKIIEHHRSAADHHEKAAQHHREAAKHHESD-SHEKAAHHAHSAHGHSAHATHHAGEASK-HHA-EHHG---- #=GR UniRef90_A0A1Q3KM49/4-69 PP ...5678***************************.****************************.***.***6.... UniRef90_A0A225DK00/3-70 ---KKAAESHKKAAESHKKAGEHHEQAAKHHEAG-NHEKAAHHAHTAKGHQTHAERHTNDAAA-HHA-EEHGAK-- #=GR UniRef90_A0A225DK00/3-70 PP ...689****************************.****************************.***.*99865.. UniRef90_A0A3E1NFY1/4-67 -------KNHEDAAKHHEEAAKHHRSAAEEAGKG-NHEKAAHHAQAAHGHTEHAKEHAREASK-KYA-QQHEEK-- #=GR UniRef90_A0A3E1NFY1/4-67 PP .......57999**********************.****************************.***.999876.. UniRef90_UPI0015707348/3-70 ---KKAVDSHKKAAAHHTEAAAHHTEAAKHQEAG-SHEKAAHHAHTAAAHTDHAAEHATQARK-SHA-EDHGTK-- #=GR UniRef90_UPI0015707348/3-70 PP ...578899*************************.****************************.***.*99865.. UniRef90_A0A7G4RF23/9-68 ----KLKQHHTLAAEHHKKASEHHNEAAKYHQSG-DHEQGHHHAHLARGHHEHAQHHSSEAAK-HS---------- #=GR UniRef90_A0A7G4RF23/9-68 PP ....56789*************************.****************************.*7.......... UniRef90_A0A177QKT9/4-69 ----QAADHHRKAAEHHEHAARDHKEAAKYYEAG-EHEKAAHYAHRAHAHHLHVAHHSAEATK-SHL-EHHDK--- #=GR UniRef90_A0A177QKT9/4-69 PP ....689***************************.****************************.***.***75... UniRef90_UPI000A0039BF/3-69 ---KKAAEHHKQAAEHHTQAARHHGEAAKHYEGG-QHEKAAHHAHTASGHGHHANYHTEEAGK-AHM-EEHGK--- #=GR UniRef90_UPI000A0039BF/3-69 PP ...689****************************.****************************.999.99976... UniRef90_A0A537SU55/5-72 --THKGGSHHETAADHHETAAHHHREAAKHYESG-DHEKAGHHAHVAHAHGLHAAHHGQEAAK-HHA-EQHAE--- #=GR UniRef90_A0A537SU55/5-72 PP ..7*******************************.****************************.***.***96... UniRef90_UPI0009DA3672/5-71 -----IAEHHEQAAMHHEHAAIHHKKAAEHHRKG-EHAESGHHAHIAHGHAQHAEHHAELAAK-EEA-TMHDKEP- #=GR UniRef90_UPI0009DA3672/5-71 PP .....59***************************.****************************.***.9997766. UniRef90_UPI000943D660/10-75 ---KKSAENHRKAAEYFEQAAANHRAAAEHLAKG-DHEKSAHHGYTAYGLSSHGRHHAEDAAL-HHS-HEHK---- #=GR UniRef90_UPI000943D660/10-75 PP ...4789***************************.**************************99.877.5553.... UniRef90_A0A2K8YE90/1-69 MSDHAGVEHHHKAAEHHEHAAHHHREAAKHHAAG-DHEKAAHHAHSAHGHASHAEHHHTEASR-HHA-EHHG---- #=GR UniRef90_A0A2K8YE90/1-69 PP 678*******************************.****************************.***.***7.... UniRef90_A0A2W6AI54/4-69 ----EAAQHHQQAAEHHEHAGRHHREAAKAHEAG-DHAKAAHHAHTARGHHEHASHHAAEAAK-SHV-EHHGH--- #=GR UniRef90_A0A2W6AI54/4-69 PP ....689***************************.****************************.***.***86... UniRef90_UPI001AECAC8A/84-146 ------HEHHTKAAEHHELAAKHHREAAKHHESG-EHEKAAHHSKIAHGHSLHATEHHEHASK-KHA-EHHS---- #=GR UniRef90_UPI001AECAC8A/84-146 PP ......59**************************.****************************.***.***5.... UniRef90_A0A411HJN1/1-70 MSSHTVAEHHQKAAEHHTLAAEHHHEAAKHHSDG-AHEKAAHHAHLGHSHHLHATHHSQEATK-QFGHDHHA---- #=GR UniRef90_A0A411HJN1/1-70 PP 789*******************************.**************************99.75526776.... UniRef90_A0A7D4C1D1/3-70 ---KKAAEHHKHAATHHAEAAKHHTAAATHHEAG-HHEKAAHHAHTAAAHTEHATEHTSHARK-AHA-EEHGTK-- #=GR UniRef90_A0A7D4C1D1/3-70 PP ...689****************************.****************************.***.*99865.. UniRef90_A0A3S0S9L9/2-68 --AQKPHEHHQKAAEHHEQAAQHHKEAAKQHQAG-QHEKAAHHAHLAEAHHIHAKEHHEEAAK-AHL-AMHG---- #=GR UniRef90_A0A3S0S9L9/2-68 PP ..67889***************************.***************************9.766.6665.... UniRef90_UPI0015F67598/3-69 --KDKIVEHHNAAAEHHEHAAKHHREAATHHEAD-NHEKAGHHAHSAHGHSSHAAHHAGEASK-HHA-EHHG---- #=GR UniRef90_UPI0015F67598/3-69 PP ..56889***************************.****************************.***.***7.... UniRef90_A0A2W5ZIQ4/3-69 ---KKAAEHHGQAADHHEKAAQHHRQAKTHHEAG-DHQAAAHDAHTARGHHEHAAHHASEAAK-AHA-EEHGH--- #=GR UniRef90_A0A2W5ZIQ4/3-69 PP ...699****************************.****************************.***.*9975... UniRef90_A0A5C1ACH7/3-69 ---KKAAASHKKAAEHHKKAGEHHENAAKHHEAG-NHEKAAHHAHTAKGHQSQAEKHGDEAAA-SHA-EEHGT--- #=GR UniRef90_A0A5C1ACH7/3-69 PP ...588999*************************.*************************999.999.99976... UniRef90_A0A7X8SVC5/4-59 -------ESHTKAAEHHENAAKSHRSAAEHHGKG-DHEKGREHSKTAHAHSQSAHEHSDAAHK-K----------- #=GR UniRef90_A0A7X8SVC5/4-59 PP .......889************************.**********************987766.5........... UniRef90_UPI001647FE78/10-75 ---QKSAESHRKAAQYYQQAAEQHRAAAEHLNSG-DHEKAAHHGYTAYGLSEHARHHAKEAAL-HHS-HEHK---- #=GR UniRef90_UPI001647FE78/10-75 PP ...589****************************.**************************99.877.5553.... UniRef90_A0A534V5G6/4-70 ----QAAEHHTKAAEHHEHAARHHKEAAKHHEAG-NHEKAAHHAHVAHGHHLQAIHHHEEATK-FHL-EHHGKK-- #=GR UniRef90_A0A534V5G6/4-70 PP ....689***************************.****************************.***.***865.. UniRef90_A0A7D3WQ23/3-70 ---KKAAESHKHAAQHHTEAAKHHTEAAKSHEAG-NHEKAAHHAHTAAAHTEHATEHAGHARK-SHA-EEHGKK-- #=GR UniRef90_A0A7D3WQ23/3-70 PP ...6899***************************.****************************.***.*99865.. UniRef90_UPI00067F5429/4-57 -------EEHNKAAEHHENAAKAHRSAAEHHGKG-DHAKGMEHADTARQHSQTAHQHSEQAH-------------- #=GR UniRef90_UPI00067F5429/4-57 PP .......899************************.***********************9985.............. UniRef90_G3IVL7/18-76 ------QQHHQKAAEHHEQAAKHHKEAAKHYESG-DDKTAAQHAHIAHGYSTQAMEQEMEASK-KYA--------- #=GR UniRef90_G3IVL7/18-76 PP ......589*************************.**********************999999.766......... UniRef90_A0A431QXA7/3-69 ---KKAAEHHKQSAEHHTHAARHHGEAAKHHESG-AHEKAAHHAHTARGHALHARHHSDEAAK-LHM-EEHGK--- #=GR UniRef90_A0A431QXA7/3-69 PP ...689****************************.****************************.999.98875... UniRef90_A0A2V7ZTA3/4-68 ----EAVDHHRKAAEHFEHAAQHHSAAASHYGAG-RYDQASREAYLAHGHYLHGSNHAAEAAR-LHT-RHFG---- #=GR UniRef90_A0A2V7ZTA3/4-68 PP ....5689**************************.***************************9.888.8865.... UniRef90_A0A516TLI4/49-117 ---DTVAEEHEKAAMHHEHAAVHYRKAAEHHRAG-EHADSGHHAHIAHGHAKHAQAHAEAAAK-EEA-NMHDKKP- #=GR UniRef90_A0A516TLI4/49-117 PP ...56699**************************.****************************.***.***9998. UniRef90_UPI00155D9B40/8-70 ------QEHHQKAAEHHEHAAEHHKEAAKHHASG-DHKTASHHAHIAHGHSVHAREHEEEASK-KYV-VLHG---- #=GR UniRef90_UPI00155D9B40/8-70 PP ......69**************************.**************************99.876.6665.... UniRef90_A0A2H9SEK4/12-70 ------HKHHLKAAEHHKKAAEHHSEAAKHHEAG-EHEKGQASAYLALAHGRHAKDESCEACS-HYA--------- #=GR UniRef90_A0A2H9SEK4/12-70 PP ......57999***********************.***************************9.976......... UniRef90_A0A1H1JX39/3-70 ---KKAAEHHKKAAEHATHVARHHGEAAKHHEAG-HHEKAAHHAHTAMGHAFHARGHAEEAAK-AHA-EEHGKK-- #=GR UniRef90_A0A1H1JX39/3-70 PP ...699****************************.****************************.***.*99865.. UniRef90_UPI000975F98E/3-57 ------KEEHNKAAEHHENAAKAHRSAAEHHGKG-DHAKGMEHANTAMQHSQTAHQHSEQAH-------------- #=GR UniRef90_UPI000975F98E/3-57 PP ......589*************************.***********************9985.............. UniRef90_A0A142H998/3-70 ---KKAAESHKHAATHHAEAAKHHTEAAKHHEAG-SHEKAAHHAHTAAAHTAHATEHATHARK-AHA-EEHGTK-- #=GR UniRef90_A0A142H998/3-70 PP ...6899***9***********************.****************************.***.*99865.. UniRef90_UPI00031CAACE/3-70 ---KKAAESHKKAAESHKKAGEHHEQAAKHHEAG-HHEKAAHHAHTAKGHQTQAEKHGNDAAT-QHA-EDHGSK-- #=GR UniRef90_UPI00031CAACE/3-70 PP ...689****************************.****************************.99*.999865.. UniRef90_S9SB59/5-73 MATLKANEHHAAAAAHSESAAQHHKEAAKQFDSG-HHEKAAHHAQVAAGHSAHATEHATEATK-KYA-EQHS---- #=GR UniRef90_S9SB59/5-73 PP 6778999***************************.****************************.***.*997.... UniRef90_I0IMJ9/13-73 ----KPQEHHKEAAQHHEEAAKHHKEASKMYEAG-DHKTAAHHAHSATGHASSAEEHQNEASR-KHA--------- #=GR UniRef90_I0IMJ9/13-73 PP ....6789**************************.***********************99987.655......... UniRef90_A0A2Z3R562/2-66 ---HEGAEHHKNAAKHHTEAAKHHTEAAKHHDAG-QHEKAAHHAHLAHAHGTHAAHHHEEAAK-YYA-AHH----- #=GR UniRef90_A0A2Z3R562/2-66 PP ...9******************************.****************************.***.**9..... #=GC PP_cons 7877889***************************.***************************9.999.99876679 #=GC RF xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx.xxxxxxxxxxxxxxxxxxxxxxxxxxxx.xxx.xxxxxxxx // ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/1hf9.cif ================================================ data_1HF9 # _entry.id 1HF9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.321 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1HF9 PDBE EBI-5544 WWPDB D_1290005544 BMRB 4906 # _pdbx_database_related.db_id 4906 _pdbx_database_related.db_name BMRB _pdbx_database_related.content_type unspecified _pdbx_database_related.details . # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1HF9 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2000-11-30 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr REL _pdbx_database_status.status_code_cs REL _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Gordon-Smith, D.J.' 1 ? 'Carbajo, R.J.' 2 ? 'Yang, J.-C.' 3 ? 'Videler, H.' 4 ? 'Runswick, M.J.' 5 ? 'Walker, J.E.' 6 ? 'Neuhaus, D.' 7 ? # _citation.id primary _citation.title 'Solution structure of a C-terminal coiled-coil domain from bovine IF(1): the inhibitor protein of F(1) ATPase.' _citation.journal_abbrev 'J. Mol. Biol.' _citation.journal_volume 308 _citation.page_first 325 _citation.page_last 339 _citation.year 2001 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 11327770 _citation.pdbx_database_id_DOI 10.1006/jmbi.2001.4570 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Gordon-Smith, D.J.' 1 ? primary 'Carbajo, R.J.' 2 ? primary 'Yang, J.C.' 3 ? primary 'Videler, H.' 4 ? primary 'Runswick, M.J.' 5 ? primary 'Walker, J.E.' 6 ? primary 'Neuhaus, D.' 7 ? # _cell.entry_id 1HF9 _cell.length_a 1.000 _cell.length_b 1.000 _cell.length_c 1.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1HF9 _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description 'ATPASE INHIBITOR (MITOCHONDRIAL)' _entity.formula_weight 4999.617 _entity.pdbx_number_of_molecules 2 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment 'C-TERMINAL DOMAIN (44-84)' _entity.details ? # _entity_name_com.entity_id 1 _entity_name_com.name IF1 # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ALKKHHENEISHHAKEIERLQKEIERHKQSIKKLKQSEDDD _entity_poly.pdbx_seq_one_letter_code_can ALKKHHENEISHHAKEIERLQKEIERHKQSIKKLKQSEDDD _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 LEU n 1 3 LYS n 1 4 LYS n 1 5 HIS n 1 6 HIS n 1 7 GLU n 1 8 ASN n 1 9 GLU n 1 10 ILE n 1 11 SER n 1 12 HIS n 1 13 HIS n 1 14 ALA n 1 15 LYS n 1 16 GLU n 1 17 ILE n 1 18 GLU n 1 19 ARG n 1 20 LEU n 1 21 GLN n 1 22 LYS n 1 23 GLU n 1 24 ILE n 1 25 GLU n 1 26 ARG n 1 27 HIS n 1 28 LYS n 1 29 GLN n 1 30 SER n 1 31 ILE n 1 32 LYS n 1 33 LYS n 1 34 LEU n 1 35 LYS n 1 36 GLN n 1 37 SER n 1 38 GLU n 1 39 ASP n 1 40 ASP n 1 41 ASP n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name COW _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'BOS TAURUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9913 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ HEART _entity_src_gen.pdbx_gene_src_organelle MITOCHONDRIA _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'ESCHERICHIA COLI' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' _entity_src_gen.pdbx_host_org_variant 'C41(DE3)' _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PET _entity_src_gen.pdbx_host_org_vector PMW172 _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code IATP_BOVIN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P01096 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 1HF9 A 1 ? 41 ? P01096 69 ? 109 ? 1 41 2 1 1HF9 B 1 ? 41 ? P01096 69 ? 109 ? 1 41 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.temperature 300 _pdbx_nmr_exptl_sample_conditions.pressure_units atm _pdbx_nmr_exptl_sample_conditions.pressure 1 _pdbx_nmr_exptl_sample_conditions.pH 6.5 _pdbx_nmr_exptl_sample_conditions.ionic_strength ? _pdbx_nmr_exptl_sample_conditions.ionic_strength_units ? _pdbx_nmr_exptl_sample_conditions.pH_units pH _pdbx_nmr_exptl_sample_conditions.temperature_units K _pdbx_nmr_exptl_sample_conditions.label ? # loop_ _pdbx_nmr_spectrometer.spectrometer_id _pdbx_nmr_spectrometer.model _pdbx_nmr_spectrometer.manufacturer _pdbx_nmr_spectrometer.field_strength _pdbx_nmr_spectrometer.type 1 AMX Bruker 500 ? 2 DRX Bruker 500 ? 3 DMX Bruker 600 ? 4 AVANCE Bruker 800 ? # _pdbx_nmr_refine.entry_id 1HF9 _pdbx_nmr_refine.method 'simulated annealing' _pdbx_nmr_refine.details 'REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE' _pdbx_nmr_refine.software_ordinal 1 # _pdbx_nmr_ensemble.entry_id 1HF9 _pdbx_nmr_ensemble.conformers_calculated_total_number 50 _pdbx_nmr_ensemble.conformers_submitted_total_number 35 _pdbx_nmr_ensemble.conformer_selection_criteria 'LOWEST ENERGIES' # loop_ _pdbx_nmr_software.classification _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.authors _pdbx_nmr_software.ordinal refinement X-PLOR 3.1 BRUNGER 1 'structure solution' XwinNMR XWINNMR ? 2 'structure solution' Felix ? ? 3 'structure solution' Sparky ? ? 4 'structure solution' Insight ? ? 5 'structure solution' X-PLOR ? ? 6 # _exptl.entry_id 1HF9 _exptl.method 'SOLUTION NMR' _exptl.crystals_number ? # _struct.entry_id 1HF9 _struct.title 'C-Terminal Coiled-Coil Domain from Bovine IF1' _struct.pdbx_descriptor 'ATPASE INHIBITOR (MITOCHONDRIAL)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1HF9 _struct_keywords.pdbx_keywords 'ATPASE INHIBITOR' _struct_keywords.text 'ATPASE INHIBITOR, F1 ATPASE INHIBITOR, MITOCHONDRION, TRANSIT PEPTIDE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LYS A 4 ? ASP A 40 ? LYS A 4 ASP A 40 1 ? 37 HELX_P HELX_P2 2 LYS B 4 ? ASP B 40 ? LYS B 4 ASP B 40 1 ? 37 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _database_PDB_matrix.entry_id 1HF9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1HF9 _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? -32.131 -8.935 5.218 1.00 0.00 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? -30.781 -9.102 4.620 1.00 0.00 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? -30.846 -9.049 3.098 1.00 0.00 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? -30.790 -10.080 2.428 1.00 0.00 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? -30.162 -10.415 5.076 1.00 0.00 ? 1 ALA A CB 1 ATOM 6 H H1 . ALA A 1 1 ? -32.748 -9.672 4.817 1.00 0.00 ? 1 ALA A H1 1 ATOM 7 H H2 . ALA A 1 1 ? -32.038 -9.043 6.247 1.00 0.00 ? 1 ALA A H2 1 ATOM 8 H H3 . ALA A 1 1 ? -32.472 -7.985 4.971 1.00 0.00 ? 1 ALA A H3 1 ATOM 9 H HA . ALA A 1 1 ? -30.153 -8.297 4.970 1.00 0.00 ? 1 ALA A HA 1 ATOM 10 H HB1 . ALA A 1 1 ? -29.172 -10.512 4.655 1.00 0.00 ? 1 ALA A HB1 1 ATOM 11 H HB2 . ALA A 1 1 ? -30.777 -11.238 4.742 1.00 0.00 ? 1 ALA A HB2 1 ATOM 12 H HB3 . ALA A 1 1 ? -30.098 -10.428 6.154 1.00 0.00 ? 1 ALA A HB3 1 ATOM 13 N N . LEU A 1 2 ? -30.964 -7.841 2.557 1.00 0.00 ? 2 LEU A N 1 ATOM 14 C CA . LEU A 1 2 ? -31.037 -7.654 1.113 1.00 0.00 ? 2 LEU A CA 1 ATOM 15 C C . LEU A 1 2 ? -29.837 -6.859 0.606 1.00 0.00 ? 2 LEU A C 1 ATOM 16 O O . LEU A 1 2 ? -29.140 -7.287 -0.314 1.00 0.00 ? 2 LEU A O 1 ATOM 17 C CB . LEU A 1 2 ? -32.334 -6.937 0.734 1.00 0.00 ? 2 LEU A CB 1 ATOM 18 C CG . LEU A 1 2 ? -33.017 -7.458 -0.531 1.00 0.00 ? 2 LEU A CG 1 ATOM 19 C CD1 . LEU A 1 2 ? -33.977 -8.588 -0.193 1.00 0.00 ? 2 LEU A CD1 1 ATOM 20 C CD2 . LEU A 1 2 ? -33.748 -6.331 -1.244 1.00 0.00 ? 2 LEU A CD2 1 ATOM 21 H H . LEU A 1 2 ? -31.004 -7.057 3.143 1.00 0.00 ? 2 LEU A H 1 ATOM 22 H HA . LEU A 1 2 ? -31.028 -8.630 0.651 1.00 0.00 ? 2 LEU A HA 1 ATOM 23 H HB2 . LEU A 1 2 ? -33.027 -7.032 1.558 1.00 0.00 ? 2 LEU A HB2 1 ATOM 24 H HB3 . LEU A 1 2 ? -32.114 -5.889 0.591 1.00 0.00 ? 2 LEU A HB3 1 ATOM 25 H HG . LEU A 1 2 ? -32.266 -7.849 -1.203 1.00 0.00 ? 2 LEU A HG 1 ATOM 26 H HD11 . LEU A 1 2 ? -33.724 -8.998 0.774 1.00 0.00 ? 2 LEU A HD11 1 ATOM 27 H HD12 . LEU A 1 2 ? -34.987 -8.208 -0.169 1.00 0.00 ? 2 LEU A HD12 1 ATOM 28 H HD13 . LEU A 1 2 ? -33.901 -9.362 -0.943 1.00 0.00 ? 2 LEU A HD13 1 ATOM 29 H HD21 . LEU A 1 2 ? -33.983 -5.550 -0.536 1.00 0.00 ? 2 LEU A HD21 1 ATOM 30 H HD22 . LEU A 1 2 ? -33.119 -5.931 -2.026 1.00 0.00 ? 2 LEU A HD22 1 ATOM 31 H HD23 . LEU A 1 2 ? -34.662 -6.711 -1.677 1.00 0.00 ? 2 LEU A HD23 1 ATOM 32 N N . LYS A 1 3 ? -29.602 -5.701 1.213 1.00 0.00 ? 3 LYS A N 1 ATOM 33 C CA . LYS A 1 3 ? -28.486 -4.847 0.824 1.00 0.00 ? 3 LYS A CA 1 ATOM 34 C C . LYS A 1 3 ? -27.580 -4.558 2.016 1.00 0.00 ? 3 LYS A C 1 ATOM 35 O O . LYS A 1 3 ? -26.888 -3.540 2.051 1.00 0.00 ? 3 LYS A O 1 ATOM 36 C CB . LYS A 1 3 ? -29.003 -3.534 0.232 1.00 0.00 ? 3 LYS A CB 1 ATOM 37 C CG . LYS A 1 3 ? -28.853 -3.447 -1.278 1.00 0.00 ? 3 LYS A CG 1 ATOM 38 C CD . LYS A 1 3 ? -30.203 -3.324 -1.966 1.00 0.00 ? 3 LYS A CD 1 ATOM 39 C CE . LYS A 1 3 ? -31.003 -2.152 -1.418 1.00 0.00 ? 3 LYS A CE 1 ATOM 40 N NZ . LYS A 1 3 ? -31.704 -1.405 -2.499 1.00 0.00 ? 3 LYS A NZ 1 ATOM 41 H H . LYS A 1 3 ? -30.193 -5.413 1.940 1.00 0.00 ? 3 LYS A H 1 ATOM 42 H HA . LYS A 1 3 ? -27.915 -5.370 0.071 1.00 0.00 ? 3 LYS A HA 1 ATOM 43 H HB2 . LYS A 1 3 ? -30.051 -3.432 0.475 1.00 0.00 ? 3 LYS A HB2 1 ATOM 44 H HB3 . LYS A 1 3 ? -28.458 -2.713 0.675 1.00 0.00 ? 3 LYS A HB3 1 ATOM 45 H HG2 . LYS A 1 3 ? -28.257 -2.580 -1.521 1.00 0.00 ? 3 LYS A HG2 1 ATOM 46 H HG3 . LYS A 1 3 ? -28.358 -4.338 -1.633 1.00 0.00 ? 3 LYS A HG3 1 ATOM 47 H HD2 . LYS A 1 3 ? -30.046 -3.176 -3.023 1.00 0.00 ? 3 LYS A HD2 1 ATOM 48 H HD3 . LYS A 1 3 ? -30.761 -4.235 -1.807 1.00 0.00 ? 3 LYS A HD3 1 ATOM 49 H HE2 . LYS A 1 3 ? -31.735 -2.528 -0.720 1.00 0.00 ? 3 LYS A HE2 1 ATOM 50 H HE3 . LYS A 1 3 ? -30.329 -1.481 -0.906 1.00 0.00 ? 3 LYS A HE3 1 ATOM 51 H HZ1 . LYS A 1 3 ? -32.282 -2.056 -3.067 1.00 0.00 ? 3 LYS A HZ1 1 ATOM 52 H HZ2 . LYS A 1 3 ? -32.324 -0.678 -2.087 1.00 0.00 ? 3 LYS A HZ2 1 ATOM 53 H HZ3 . LYS A 1 3 ? -31.010 -0.942 -3.121 1.00 0.00 ? 3 LYS A HZ3 1 ATOM 54 N N . LYS A 1 4 ? -27.588 -5.460 2.992 1.00 0.00 ? 4 LYS A N 1 ATOM 55 C CA . LYS A 1 4 ? -26.767 -5.301 4.187 1.00 0.00 ? 4 LYS A CA 1 ATOM 56 C C . LYS A 1 4 ? -25.366 -5.861 3.963 1.00 0.00 ? 4 LYS A C 1 ATOM 57 O O . LYS A 1 4 ? -24.408 -5.440 4.610 1.00 0.00 ? 4 LYS A O 1 ATOM 58 C CB . LYS A 1 4 ? -27.423 -6.000 5.379 1.00 0.00 ? 4 LYS A CB 1 ATOM 59 C CG . LYS A 1 4 ? -27.453 -7.515 5.255 1.00 0.00 ? 4 LYS A CG 1 ATOM 60 C CD . LYS A 1 4 ? -26.246 -8.152 5.925 1.00 0.00 ? 4 LYS A CD 1 ATOM 61 C CE . LYS A 1 4 ? -26.352 -9.668 5.938 1.00 0.00 ? 4 LYS A CE 1 ATOM 62 N NZ . LYS A 1 4 ? -25.493 -10.276 6.991 1.00 0.00 ? 4 LYS A NZ 1 ATOM 63 H H . LYS A 1 4 ? -28.161 -6.251 2.907 1.00 0.00 ? 4 LYS A H 1 ATOM 64 H HA . LYS A 1 4 ? -26.690 -4.245 4.398 1.00 0.00 ? 4 LYS A HA 1 ATOM 65 H HB2 . LYS A 1 4 ? -26.879 -5.744 6.276 1.00 0.00 ? 4 LYS A HB2 1 ATOM 66 H HB3 . LYS A 1 4 ? -28.440 -5.648 5.473 1.00 0.00 ? 4 LYS A HB3 1 ATOM 67 H HG2 . LYS A 1 4 ? -28.351 -7.887 5.726 1.00 0.00 ? 4 LYS A HG2 1 ATOM 68 H HG3 . LYS A 1 4 ? -27.456 -7.781 4.209 1.00 0.00 ? 4 LYS A HG3 1 ATOM 69 H HD2 . LYS A 1 4 ? -25.355 -7.868 5.384 1.00 0.00 ? 4 LYS A HD2 1 ATOM 70 H HD3 . LYS A 1 4 ? -26.181 -7.795 6.942 1.00 0.00 ? 4 LYS A HD3 1 ATOM 71 H HE2 . LYS A 1 4 ? -27.380 -9.943 6.122 1.00 0.00 ? 4 LYS A HE2 1 ATOM 72 H HE3 . LYS A 1 4 ? -26.047 -10.046 4.973 1.00 0.00 ? 4 LYS A HE3 1 ATOM 73 H HZ1 . LYS A 1 4 ? -25.104 -9.534 7.607 1.00 0.00 ? 4 LYS A HZ1 1 ATOM 74 H HZ2 . LYS A 1 4 ? -26.051 -10.935 7.571 1.00 0.00 ? 4 LYS A HZ2 1 ATOM 75 H HZ3 . LYS A 1 4 ? -24.706 -10.796 6.554 1.00 0.00 ? 4 LYS A HZ3 1 ATOM 76 N N . HIS A 1 5 ? -25.255 -6.814 3.042 1.00 0.00 ? 5 HIS A N 1 ATOM 77 C CA . HIS A 1 5 ? -23.970 -7.431 2.733 1.00 0.00 ? 5 HIS A CA 1 ATOM 78 C C . HIS A 1 5 ? -22.992 -6.404 2.172 1.00 0.00 ? 5 HIS A C 1 ATOM 79 O O . HIS A 1 5 ? -21.778 -6.539 2.326 1.00 0.00 ? 5 HIS A O 1 ATOM 80 C CB . HIS A 1 5 ? -24.157 -8.574 1.733 1.00 0.00 ? 5 HIS A CB 1 ATOM 81 C CG . HIS A 1 5 ? -25.040 -8.218 0.577 1.00 0.00 ? 5 HIS A CG 1 ATOM 82 N ND1 . HIS A 1 5 ? -26.179 -8.926 0.254 1.00 0.00 ? 5 HIS A ND1 1 ATOM 83 C CD2 . HIS A 1 5 ? -24.946 -7.222 -0.336 1.00 0.00 ? 5 HIS A CD2 1 ATOM 84 C CE1 . HIS A 1 5 ? -26.747 -8.381 -0.807 1.00 0.00 ? 5 HIS A CE1 1 ATOM 85 N NE2 . HIS A 1 5 ? -26.019 -7.347 -1.184 1.00 0.00 ? 5 HIS A NE2 1 ATOM 86 H H . HIS A 1 5 ? -26.055 -7.108 2.560 1.00 0.00 ? 5 HIS A H 1 ATOM 87 H HA . HIS A 1 5 ? -23.566 -7.831 3.651 1.00 0.00 ? 5 HIS A HA 1 ATOM 88 H HB2 . HIS A 1 5 ? -23.194 -8.859 1.339 1.00 0.00 ? 5 HIS A HB2 1 ATOM 89 H HB3 . HIS A 1 5 ? -24.598 -9.419 2.241 1.00 0.00 ? 5 HIS A HB3 1 ATOM 90 H HD1 . HIS A 1 5 ? -26.520 -9.710 0.732 1.00 0.00 ? 5 HIS A HD1 1 ATOM 91 H HD2 . HIS A 1 5 ? -24.172 -6.470 -0.388 1.00 0.00 ? 5 HIS A HD2 1 ATOM 92 H HE1 . HIS A 1 5 ? -27.653 -8.724 -1.285 1.00 0.00 ? 5 HIS A HE1 1 ATOM 93 H HE2 . HIS A 1 5 ? -26.215 -6.763 -1.946 1.00 0.00 ? 5 HIS A HE2 1 ATOM 94 N N . HIS A 1 6 ? -23.529 -5.377 1.521 1.00 0.00 ? 6 HIS A N 1 ATOM 95 C CA . HIS A 1 6 ? -22.702 -4.328 0.937 1.00 0.00 ? 6 HIS A CA 1 ATOM 96 C C . HIS A 1 6 ? -21.880 -3.624 2.011 1.00 0.00 ? 6 HIS A C 1 ATOM 97 O O . HIS A 1 6 ? -20.723 -3.272 1.787 1.00 0.00 ? 6 HIS A O 1 ATOM 98 C CB . HIS A 1 6 ? -23.574 -3.312 0.197 1.00 0.00 ? 6 HIS A CB 1 ATOM 99 C CG . HIS A 1 6 ? -23.345 -3.294 -1.283 1.00 0.00 ? 6 HIS A CG 1 ATOM 100 N ND1 . HIS A 1 6 ? -22.840 -4.371 -1.980 1.00 0.00 ? 6 HIS A ND1 1 ATOM 101 C CD2 . HIS A 1 6 ? -23.557 -2.320 -2.200 1.00 0.00 ? 6 HIS A CD2 1 ATOM 102 C CE1 . HIS A 1 6 ? -22.750 -4.061 -3.262 1.00 0.00 ? 6 HIS A CE1 1 ATOM 103 N NE2 . HIS A 1 6 ? -23.179 -2.823 -3.420 1.00 0.00 ? 6 HIS A NE2 1 ATOM 104 H H . HIS A 1 6 ? -24.503 -5.324 1.431 1.00 0.00 ? 6 HIS A H 1 ATOM 105 H HA . HIS A 1 6 ? -22.027 -4.792 0.234 1.00 0.00 ? 6 HIS A HA 1 ATOM 106 H HB2 . HIS A 1 6 ? -24.613 -3.548 0.369 1.00 0.00 ? 6 HIS A HB2 1 ATOM 107 H HB3 . HIS A 1 6 ? -23.366 -2.324 0.579 1.00 0.00 ? 6 HIS A HB3 1 ATOM 108 H HD1 . HIS A 1 6 ? -22.585 -5.235 -1.594 1.00 0.00 ? 6 HIS A HD1 1 ATOM 109 H HD2 . HIS A 1 6 ? -23.950 -1.332 -2.007 1.00 0.00 ? 6 HIS A HD2 1 ATOM 110 H HE1 . HIS A 1 6 ? -22.388 -4.710 -4.045 1.00 0.00 ? 6 HIS A HE1 1 ATOM 111 H HE2 . HIS A 1 6 ? -23.220 -2.342 -4.273 1.00 0.00 ? 6 HIS A HE2 1 ATOM 112 N N . GLU A 1 7 ? -22.483 -3.424 3.178 1.00 0.00 ? 7 GLU A N 1 ATOM 113 C CA . GLU A 1 7 ? -21.801 -2.766 4.285 1.00 0.00 ? 7 GLU A CA 1 ATOM 114 C C . GLU A 1 7 ? -20.622 -3.605 4.764 1.00 0.00 ? 7 GLU A C 1 ATOM 115 O O . GLU A 1 7 ? -19.658 -3.079 5.320 1.00 0.00 ? 7 GLU A O 1 ATOM 116 C CB . GLU A 1 7 ? -22.774 -2.522 5.440 1.00 0.00 ? 7 GLU A CB 1 ATOM 117 C CG . GLU A 1 7 ? -23.429 -1.151 5.404 1.00 0.00 ? 7 GLU A CG 1 ATOM 118 C CD . GLU A 1 7 ? -24.152 -0.816 6.694 1.00 0.00 ? 7 GLU A CD 1 ATOM 119 O OE1 . GLU A 1 7 ? -24.693 -1.744 7.330 1.00 0.00 ? 7 GLU A OE1 1 ATOM 120 O OE2 . GLU A 1 7 ? -24.176 0.376 7.068 1.00 0.00 ? 7 GLU A OE2 1 ATOM 121 H H . GLU A 1 7 ? -23.406 -3.728 3.298 1.00 0.00 ? 7 GLU A H 1 ATOM 122 H HA . GLU A 1 7 ? -21.431 -1.816 3.930 1.00 0.00 ? 7 GLU A HA 1 ATOM 123 H HB2 . GLU A 1 7 ? -23.552 -3.270 5.405 1.00 0.00 ? 7 GLU A HB2 1 ATOM 124 H HB3 . GLU A 1 7 ? -22.238 -2.616 6.373 1.00 0.00 ? 7 GLU A HB3 1 ATOM 125 H HG2 . GLU A 1 7 ? -22.667 -0.406 5.233 1.00 0.00 ? 7 GLU A HG2 1 ATOM 126 H HG3 . GLU A 1 7 ? -24.142 -1.129 4.593 1.00 0.00 ? 7 GLU A HG3 1 ATOM 127 N N . ASN A 1 8 ? -20.704 -4.913 4.540 1.00 0.00 ? 8 ASN A N 1 ATOM 128 C CA . ASN A 1 8 ? -19.641 -5.826 4.944 1.00 0.00 ? 8 ASN A CA 1 ATOM 129 C C . ASN A 1 8 ? -18.422 -5.659 4.044 1.00 0.00 ? 8 ASN A C 1 ATOM 130 O O . ASN A 1 8 ? -17.318 -5.395 4.521 1.00 0.00 ? 8 ASN A O 1 ATOM 131 C CB . ASN A 1 8 ? -20.134 -7.273 4.895 1.00 0.00 ? 8 ASN A CB 1 ATOM 132 C CG . ASN A 1 8 ? -19.913 -8.004 6.205 1.00 0.00 ? 8 ASN A CG 1 ATOM 133 O OD1 . ASN A 1 8 ? -19.449 -7.420 7.184 1.00 0.00 ? 8 ASN A OD1 1 ATOM 134 N ND2 . ASN A 1 8 ? -20.246 -9.289 6.229 1.00 0.00 ? 8 ASN A ND2 1 ATOM 135 H H . ASN A 1 8 ? -21.496 -5.272 4.089 1.00 0.00 ? 8 ASN A H 1 ATOM 136 H HA . ASN A 1 8 ? -19.362 -5.582 5.958 1.00 0.00 ? 8 ASN A HA 1 ATOM 137 H HB2 . ASN A 1 8 ? -21.191 -7.280 4.674 1.00 0.00 ? 8 ASN A HB2 1 ATOM 138 H HB3 . ASN A 1 8 ? -19.604 -7.801 4.115 1.00 0.00 ? 8 ASN A HB3 1 ATOM 139 H HD21 . ASN A 1 8 ? -20.610 -9.688 5.411 1.00 0.00 ? 8 ASN A HD21 1 ATOM 140 H HD22 . ASN A 1 8 ? -20.114 -9.786 7.063 1.00 0.00 ? 8 ASN A HD22 1 ATOM 141 N N . GLU A 1 9 ? -18.632 -5.805 2.740 1.00 0.00 ? 9 GLU A N 1 ATOM 142 C CA . GLU A 1 9 ? -17.549 -5.658 1.776 1.00 0.00 ? 9 GLU A CA 1 ATOM 143 C C . GLU A 1 9 ? -16.985 -4.240 1.815 1.00 0.00 ? 9 GLU A C 1 ATOM 144 O O . GLU A 1 9 ? -15.837 -4.006 1.439 1.00 0.00 ? 9 GLU A O 1 ATOM 145 C CB . GLU A 1 9 ? -18.044 -5.985 0.365 1.00 0.00 ? 9 GLU A CB 1 ATOM 146 C CG . GLU A 1 9 ? -17.402 -7.225 -0.233 1.00 0.00 ? 9 GLU A CG 1 ATOM 147 C CD . GLU A 1 9 ? -17.484 -7.252 -1.747 1.00 0.00 ? 9 GLU A CD 1 ATOM 148 O OE1 . GLU A 1 9 ? -18.582 -7.000 -2.286 1.00 0.00 ? 9 GLU A OE1 1 ATOM 149 O OE2 . GLU A 1 9 ? -16.450 -7.523 -2.393 1.00 0.00 ? 9 GLU A OE2 1 ATOM 150 H H . GLU A 1 9 ? -19.537 -6.007 2.418 1.00 0.00 ? 9 GLU A H 1 ATOM 151 H HA . GLU A 1 9 ? -16.767 -6.353 2.045 1.00 0.00 ? 9 GLU A HA 1 ATOM 152 H HB2 . GLU A 1 9 ? -19.113 -6.140 0.399 1.00 0.00 ? 9 GLU A HB2 1 ATOM 153 H HB3 . GLU A 1 9 ? -17.831 -5.147 -0.282 1.00 0.00 ? 9 GLU A HB3 1 ATOM 154 H HG2 . GLU A 1 9 ? -16.362 -7.251 0.056 1.00 0.00 ? 9 GLU A HG2 1 ATOM 155 H HG3 . GLU A 1 9 ? -17.904 -8.099 0.156 1.00 0.00 ? 9 GLU A HG3 1 ATOM 156 N N . ILE A 1 10 ? -17.804 -3.299 2.276 1.00 0.00 ? 10 ILE A N 1 ATOM 157 C CA . ILE A 1 10 ? -17.398 -1.905 2.371 1.00 0.00 ? 10 ILE A CA 1 ATOM 158 C C . ILE A 1 10 ? -16.413 -1.713 3.530 1.00 0.00 ? 10 ILE A C 1 ATOM 159 O O . ILE A 1 10 ? -15.389 -1.045 3.386 1.00 0.00 ? 10 ILE A O 1 ATOM 160 C CB . ILE A 1 10 ? -18.660 -0.982 2.498 1.00 0.00 ? 10 ILE A CB 1 ATOM 161 C CG1 . ILE A 1 10 ? -18.815 -0.137 1.234 1.00 0.00 ? 10 ILE A CG1 1 ATOM 162 C CG2 . ILE A 1 10 ? -18.646 -0.078 3.735 1.00 0.00 ? 10 ILE A CG2 1 ATOM 163 C CD1 . ILE A 1 10 ? -20.191 -0.231 0.612 1.00 0.00 ? 10 ILE A CD1 1 ATOM 164 H H . ILE A 1 10 ? -18.706 -3.549 2.562 1.00 0.00 ? 10 ILE A H 1 ATOM 165 H HA . ILE A 1 10 ? -16.891 -1.653 1.450 1.00 0.00 ? 10 ILE A HA 1 ATOM 166 H HB . ILE A 1 10 ? -19.522 -1.624 2.581 1.00 0.00 ? 10 ILE A HB 1 ATOM 167 H HG12 . ILE A 1 10 ? -18.631 0.899 1.476 1.00 0.00 ? 10 ILE A HG12 1 ATOM 168 H HG13 . ILE A 1 10 ? -18.094 -0.463 0.498 1.00 0.00 ? 10 ILE A HG13 1 ATOM 169 H HG21 . ILE A 1 10 ? -18.304 -0.639 4.591 1.00 0.00 ? 10 ILE A HG21 1 ATOM 170 H HG22 . ILE A 1 10 ? -17.985 0.758 3.563 1.00 0.00 ? 10 ILE A HG22 1 ATOM 171 H HG23 . ILE A 1 10 ? -19.645 0.288 3.922 1.00 0.00 ? 10 ILE A HG23 1 ATOM 172 H HD11 . ILE A 1 10 ? -20.867 -0.711 1.304 1.00 0.00 ? 10 ILE A HD11 1 ATOM 173 H HD12 . ILE A 1 10 ? -20.553 0.761 0.385 1.00 0.00 ? 10 ILE A HD12 1 ATOM 174 H HD13 . ILE A 1 10 ? -20.136 -0.810 -0.298 1.00 0.00 ? 10 ILE A HD13 1 ATOM 175 N N . SER A 1 11 ? -16.736 -2.305 4.676 1.00 0.00 ? 11 SER A N 1 ATOM 176 C CA . SER A 1 11 ? -15.885 -2.201 5.855 1.00 0.00 ? 11 SER A CA 1 ATOM 177 C C . SER A 1 11 ? -14.529 -2.853 5.606 1.00 0.00 ? 11 SER A C 1 ATOM 178 O O . SER A 1 11 ? -13.513 -2.424 6.154 1.00 0.00 ? 11 SER A O 1 ATOM 179 C CB . SER A 1 11 ? -16.565 -2.855 7.059 1.00 0.00 ? 11 SER A CB 1 ATOM 180 O OG . SER A 1 11 ? -16.335 -4.253 7.079 1.00 0.00 ? 11 SER A OG 1 ATOM 181 H H . SER A 1 11 ? -17.565 -2.825 4.729 1.00 0.00 ? 11 SER A H 1 ATOM 182 H HA . SER A 1 11 ? -15.734 -1.153 6.063 1.00 0.00 ? 11 SER A HA 1 ATOM 183 H HB2 . SER A 1 11 ? -16.172 -2.425 7.969 1.00 0.00 ? 11 SER A HB2 1 ATOM 184 H HB3 . SER A 1 11 ? -17.630 -2.678 7.008 1.00 0.00 ? 11 SER A HB3 1 ATOM 185 H HG . SER A 1 11 ? -17.160 -4.711 7.254 1.00 0.00 ? 11 SER A HG 1 ATOM 186 N N . HIS A 1 12 ? -14.519 -3.891 4.776 1.00 0.00 ? 12 HIS A N 1 ATOM 187 C CA . HIS A 1 12 ? -13.287 -4.598 4.459 1.00 0.00 ? 12 HIS A CA 1 ATOM 188 C C . HIS A 1 12 ? -12.395 -3.736 3.559 1.00 0.00 ? 12 HIS A C 1 ATOM 189 O O . HIS A 1 12 ? -11.188 -3.637 3.782 1.00 0.00 ? 12 HIS A O 1 ATOM 190 C CB . HIS A 1 12 ? -13.624 -5.973 3.832 1.00 0.00 ? 12 HIS A CB 1 ATOM 191 C CG . HIS A 1 12 ? -12.953 -6.286 2.523 1.00 0.00 ? 12 HIS A CG 1 ATOM 192 N ND1 . HIS A 1 12 ? -11.605 -6.558 2.411 1.00 0.00 ? 12 HIS A ND1 1 ATOM 193 C CD2 . HIS A 1 12 ? -13.459 -6.371 1.272 1.00 0.00 ? 12 HIS A CD2 1 ATOM 194 C CE1 . HIS A 1 12 ? -11.312 -6.797 1.144 1.00 0.00 ? 12 HIS A CE1 1 ATOM 195 N NE2 . HIS A 1 12 ? -12.419 -6.690 0.434 1.00 0.00 ? 12 HIS A NE2 1 ATOM 196 H H . HIS A 1 12 ? -15.360 -4.188 4.367 1.00 0.00 ? 12 HIS A H 1 ATOM 197 H HA . HIS A 1 12 ? -12.764 -4.763 5.390 1.00 0.00 ? 12 HIS A HA 1 ATOM 198 H HB2 . HIS A 1 12 ? -13.341 -6.747 4.528 1.00 0.00 ? 12 HIS A HB2 1 ATOM 199 H HB3 . HIS A 1 12 ? -14.692 -6.025 3.673 1.00 0.00 ? 12 HIS A HB3 1 ATOM 200 H HD1 . HIS A 1 12 ? -10.960 -6.573 3.148 1.00 0.00 ? 12 HIS A HD1 1 ATOM 201 H HD2 . HIS A 1 12 ? -14.489 -6.212 0.987 1.00 0.00 ? 12 HIS A HD2 1 ATOM 202 H HE1 . HIS A 1 12 ? -10.333 -7.039 0.757 1.00 0.00 ? 12 HIS A HE1 1 ATOM 203 H HE2 . HIS A 1 12 ? -12.486 -6.819 -0.535 1.00 0.00 ? 12 HIS A HE2 1 ATOM 204 N N . HIS A 1 13 ? -12.995 -3.105 2.552 1.00 0.00 ? 13 HIS A N 1 ATOM 205 C CA . HIS A 1 13 ? -12.240 -2.248 1.644 1.00 0.00 ? 13 HIS A CA 1 ATOM 206 C C . HIS A 1 13 ? -11.645 -1.070 2.405 1.00 0.00 ? 13 HIS A C 1 ATOM 207 O O . HIS A 1 13 ? -10.618 -0.519 2.010 1.00 0.00 ? 13 HIS A O 1 ATOM 208 C CB . HIS A 1 13 ? -13.125 -1.725 0.512 1.00 0.00 ? 13 HIS A CB 1 ATOM 209 C CG . HIS A 1 13 ? -13.922 -2.782 -0.183 1.00 0.00 ? 13 HIS A CG 1 ATOM 210 N ND1 . HIS A 1 13 ? -13.496 -4.086 -0.318 1.00 0.00 ? 13 HIS A ND1 1 ATOM 211 C CD2 . HIS A 1 13 ? -15.127 -2.715 -0.793 1.00 0.00 ? 13 HIS A CD2 1 ATOM 212 C CE1 . HIS A 1 13 ? -14.407 -4.777 -0.983 1.00 0.00 ? 13 HIS A CE1 1 ATOM 213 N NE2 . HIS A 1 13 ? -15.405 -3.967 -1.281 1.00 0.00 ? 13 HIS A NE2 1 ATOM 214 H H . HIS A 1 13 ? -13.961 -3.210 2.423 1.00 0.00 ? 13 HIS A H 1 ATOM 215 H HA . HIS A 1 13 ? -11.437 -2.834 1.224 1.00 0.00 ? 13 HIS A HA 1 ATOM 216 H HB2 . HIS A 1 13 ? -13.818 -1.002 0.912 1.00 0.00 ? 13 HIS A HB2 1 ATOM 217 H HB3 . HIS A 1 13 ? -12.500 -1.245 -0.226 1.00 0.00 ? 13 HIS A HB3 1 ATOM 218 H HD1 . HIS A 1 13 ? -12.651 -4.450 0.019 1.00 0.00 ? 13 HIS A HD1 1 ATOM 219 H HD2 . HIS A 1 13 ? -15.749 -1.835 -0.882 1.00 0.00 ? 13 HIS A HD2 1 ATOM 220 H HE1 . HIS A 1 13 ? -14.344 -5.824 -1.237 1.00 0.00 ? 13 HIS A HE1 1 ATOM 221 H HE2 . HIS A 1 13 ? -16.214 -4.221 -1.773 1.00 0.00 ? 13 HIS A HE2 1 ATOM 222 N N . ALA A 1 14 ? -12.300 -0.687 3.498 1.00 0.00 ? 14 ALA A N 1 ATOM 223 C CA . ALA A 1 14 ? -11.836 0.426 4.315 1.00 0.00 ? 14 ALA A CA 1 ATOM 224 C C . ALA A 1 14 ? -10.537 0.065 5.018 1.00 0.00 ? 14 ALA A C 1 ATOM 225 O O . ALA A 1 14 ? -9.533 0.763 4.886 1.00 0.00 ? 14 ALA A O 1 ATOM 226 C CB . ALA A 1 14 ? -12.900 0.819 5.328 1.00 0.00 ? 14 ALA A CB 1 ATOM 227 H H . ALA A 1 14 ? -13.114 -1.165 3.759 1.00 0.00 ? 14 ALA A H 1 ATOM 228 H HA . ALA A 1 14 ? -11.660 1.269 3.663 1.00 0.00 ? 14 ALA A HA 1 ATOM 229 H HB1 . ALA A 1 14 ? -12.471 1.490 6.059 1.00 0.00 ? 14 ALA A HB1 1 ATOM 230 H HB2 . ALA A 1 14 ? -13.715 1.314 4.821 1.00 0.00 ? 14 ALA A HB2 1 ATOM 231 H HB3 . ALA A 1 14 ? -13.269 -0.066 5.825 1.00 0.00 ? 14 ALA A HB3 1 ATOM 232 N N . LYS A 1 15 ? -10.560 -1.039 5.755 1.00 0.00 ? 15 LYS A N 1 ATOM 233 C CA . LYS A 1 15 ? -9.376 -1.500 6.465 1.00 0.00 ? 15 LYS A CA 1 ATOM 234 C C . LYS A 1 15 ? -8.294 -1.945 5.481 1.00 0.00 ? 15 LYS A C 1 ATOM 235 O O . LYS A 1 15 ? -7.137 -2.126 5.861 1.00 0.00 ? 15 LYS A O 1 ATOM 236 C CB . LYS A 1 15 ? -9.735 -2.654 7.403 1.00 0.00 ? 15 LYS A CB 1 ATOM 237 C CG . LYS A 1 15 ? -10.534 -2.220 8.621 1.00 0.00 ? 15 LYS A CG 1 ATOM 238 C CD . LYS A 1 15 ? -9.993 -2.849 9.895 1.00 0.00 ? 15 LYS A CD 1 ATOM 239 C CE . LYS A 1 15 ? -11.116 -3.252 10.837 1.00 0.00 ? 15 LYS A CE 1 ATOM 240 N NZ . LYS A 1 15 ? -11.959 -2.089 11.228 1.00 0.00 ? 15 LYS A NZ 1 ATOM 241 H H . LYS A 1 15 ? -11.389 -1.561 5.814 1.00 0.00 ? 15 LYS A H 1 ATOM 242 H HA . LYS A 1 15 ? -8.997 -0.676 7.049 1.00 0.00 ? 15 LYS A HA 1 ATOM 243 H HB2 . LYS A 1 15 ? -10.318 -3.380 6.856 1.00 0.00 ? 15 LYS A HB2 1 ATOM 244 H HB3 . LYS A 1 15 ? -8.823 -3.121 7.746 1.00 0.00 ? 15 LYS A HB3 1 ATOM 245 H HG2 . LYS A 1 15 ? -10.481 -1.146 8.711 1.00 0.00 ? 15 LYS A HG2 1 ATOM 246 H HG3 . LYS A 1 15 ? -11.563 -2.522 8.490 1.00 0.00 ? 15 LYS A HG3 1 ATOM 247 H HD2 . LYS A 1 15 ? -9.420 -3.727 9.637 1.00 0.00 ? 15 LYS A HD2 1 ATOM 248 H HD3 . LYS A 1 15 ? -9.356 -2.134 10.394 1.00 0.00 ? 15 LYS A HD3 1 ATOM 249 H HE2 . LYS A 1 15 ? -11.737 -3.985 10.344 1.00 0.00 ? 15 LYS A HE2 1 ATOM 250 H HE3 . LYS A 1 15 ? -10.683 -3.688 11.726 1.00 0.00 ? 15 LYS A HE3 1 ATOM 251 H HZ1 . LYS A 1 15 ? -11.499 -1.202 10.941 1.00 0.00 ? 15 LYS A HZ1 1 ATOM 252 H HZ2 . LYS A 1 15 ? -12.889 -2.150 10.766 1.00 0.00 ? 15 LYS A HZ2 1 ATOM 253 H HZ3 . LYS A 1 15 ? -12.095 -2.077 12.259 1.00 0.00 ? 15 LYS A HZ3 1 ATOM 254 N N . GLU A 1 16 ? -8.674 -2.123 4.214 1.00 0.00 ? 16 GLU A N 1 ATOM 255 C CA . GLU A 1 16 ? -7.732 -2.548 3.188 1.00 0.00 ? 16 GLU A CA 1 ATOM 256 C C . GLU A 1 16 ? -6.971 -1.359 2.611 1.00 0.00 ? 16 GLU A C 1 ATOM 257 O O . GLU A 1 16 ? -5.785 -1.468 2.306 1.00 0.00 ? 16 GLU A O 1 ATOM 258 C CB . GLU A 1 16 ? -8.463 -3.293 2.069 1.00 0.00 ? 16 GLU A CB 1 ATOM 259 C CG . GLU A 1 16 ? -8.325 -4.804 2.154 1.00 0.00 ? 16 GLU A CG 1 ATOM 260 C CD . GLU A 1 16 ? -6.927 -5.282 1.815 1.00 0.00 ? 16 GLU A CD 1 ATOM 261 O OE1 . GLU A 1 16 ? -6.032 -5.157 2.677 1.00 0.00 ? 16 GLU A OE1 1 ATOM 262 O OE2 . GLU A 1 16 ? -6.726 -5.779 0.687 1.00 0.00 ? 16 GLU A OE2 1 ATOM 263 H H . GLU A 1 16 ? -9.608 -1.969 3.964 1.00 0.00 ? 16 GLU A H 1 ATOM 264 H HA . GLU A 1 16 ? -7.024 -3.218 3.651 1.00 0.00 ? 16 GLU A HA 1 ATOM 265 H HB2 . GLU A 1 16 ? -9.513 -3.046 2.115 1.00 0.00 ? 16 GLU A HB2 1 ATOM 266 H HB3 . GLU A 1 16 ? -8.067 -2.970 1.118 1.00 0.00 ? 16 GLU A HB3 1 ATOM 267 H HG2 . GLU A 1 16 ? -8.562 -5.119 3.159 1.00 0.00 ? 16 GLU A HG2 1 ATOM 268 H HG3 . GLU A 1 16 ? -9.021 -5.256 1.462 1.00 0.00 ? 16 GLU A HG3 1 ATOM 269 N N . ILE A 1 17 ? -7.650 -0.224 2.466 1.00 0.00 ? 17 ILE A N 1 ATOM 270 C CA . ILE A 1 17 ? -7.010 0.972 1.930 1.00 0.00 ? 17 ILE A CA 1 ATOM 271 C C . ILE A 1 17 ? -6.159 1.646 3.000 1.00 0.00 ? 17 ILE A C 1 ATOM 272 O O . ILE A 1 17 ? -5.127 2.248 2.702 1.00 0.00 ? 17 ILE A O 1 ATOM 273 C CB . ILE A 1 17 ? -8.049 1.974 1.383 1.00 0.00 ? 17 ILE A CB 1 ATOM 274 C CG1 . ILE A 1 17 ? -7.356 3.244 0.866 1.00 0.00 ? 17 ILE A CG1 1 ATOM 275 C CG2 . ILE A 1 17 ? -9.085 2.308 2.449 1.00 0.00 ? 17 ILE A CG2 1 ATOM 276 C CD1 . ILE A 1 17 ? -6.979 4.235 1.950 1.00 0.00 ? 17 ILE A CD1 1 ATOM 277 H H . ILE A 1 17 ? -8.597 -0.188 2.728 1.00 0.00 ? 17 ILE A H 1 ATOM 278 H HA . ILE A 1 17 ? -6.366 0.671 1.116 1.00 0.00 ? 17 ILE A HA 1 ATOM 279 H HB . ILE A 1 17 ? -8.564 1.500 0.560 1.00 0.00 ? 17 ILE A HB 1 ATOM 280 H HG12 . ILE A 1 17 ? -6.451 2.964 0.348 1.00 0.00 ? 17 ILE A HG12 1 ATOM 281 H HG13 . ILE A 1 17 ? -8.017 3.746 0.174 1.00 0.00 ? 17 ILE A HG13 1 ATOM 282 H HG21 . ILE A 1 17 ? -8.660 2.142 3.428 1.00 0.00 ? 17 ILE A HG21 1 ATOM 283 H HG22 . ILE A 1 17 ? -9.378 3.343 2.354 1.00 0.00 ? 17 ILE A HG22 1 ATOM 284 H HG23 . ILE A 1 17 ? -9.950 1.675 2.320 1.00 0.00 ? 17 ILE A HG23 1 ATOM 285 H HD11 . ILE A 1 17 ? -7.239 3.828 2.916 1.00 0.00 ? 17 ILE A HD11 1 ATOM 286 H HD12 . ILE A 1 17 ? -5.916 4.421 1.912 1.00 0.00 ? 17 ILE A HD12 1 ATOM 287 H HD13 . ILE A 1 17 ? -7.513 5.160 1.793 1.00 0.00 ? 17 ILE A HD13 1 ATOM 288 N N . GLU A 1 18 ? -6.592 1.526 4.250 1.00 0.00 ? 18 GLU A N 1 ATOM 289 C CA . GLU A 1 18 ? -5.864 2.109 5.369 1.00 0.00 ? 18 GLU A CA 1 ATOM 290 C C . GLU A 1 18 ? -4.701 1.211 5.770 1.00 0.00 ? 18 GLU A C 1 ATOM 291 O O . GLU A 1 18 ? -3.612 1.690 6.090 1.00 0.00 ? 18 GLU A O 1 ATOM 292 C CB . GLU A 1 18 ? -6.799 2.322 6.561 1.00 0.00 ? 18 GLU A CB 1 ATOM 293 C CG . GLU A 1 18 ? -7.168 3.778 6.792 1.00 0.00 ? 18 GLU A CG 1 ATOM 294 C CD . GLU A 1 18 ? -7.392 4.098 8.257 1.00 0.00 ? 18 GLU A CD 1 ATOM 295 O OE1 . GLU A 1 18 ? -7.542 3.149 9.055 1.00 0.00 ? 18 GLU A OE1 1 ATOM 296 O OE2 . GLU A 1 18 ? -7.417 5.296 8.607 1.00 0.00 ? 18 GLU A OE2 1 ATOM 297 H H . GLU A 1 18 ? -7.415 1.024 4.426 1.00 0.00 ? 18 GLU A H 1 ATOM 298 H HA . GLU A 1 18 ? -5.474 3.064 5.050 1.00 0.00 ? 18 GLU A HA 1 ATOM 299 H HB2 . GLU A 1 18 ? -7.709 1.765 6.395 1.00 0.00 ? 18 GLU A HB2 1 ATOM 300 H HB3 . GLU A 1 18 ? -6.317 1.950 7.453 1.00 0.00 ? 18 GLU A HB3 1 ATOM 301 H HG2 . GLU A 1 18 ? -6.368 4.402 6.422 1.00 0.00 ? 18 GLU A HG2 1 ATOM 302 H HG3 . GLU A 1 18 ? -8.075 3.997 6.248 1.00 0.00 ? 18 GLU A HG3 1 ATOM 303 N N . ARG A 1 19 ? -4.936 -0.098 5.741 1.00 0.00 ? 19 ARG A N 1 ATOM 304 C CA . ARG A 1 19 ? -3.904 -1.064 6.093 1.00 0.00 ? 19 ARG A CA 1 ATOM 305 C C . ARG A 1 19 ? -2.876 -1.170 4.975 1.00 0.00 ? 19 ARG A C 1 ATOM 306 O O . ARG A 1 19 ? -1.707 -1.475 5.216 1.00 0.00 ? 19 ARG A O 1 ATOM 307 C CB . ARG A 1 19 ? -4.525 -2.434 6.367 1.00 0.00 ? 19 ARG A CB 1 ATOM 308 C CG . ARG A 1 19 ? -3.540 -3.448 6.925 1.00 0.00 ? 19 ARG A CG 1 ATOM 309 C CD . ARG A 1 19 ? -4.195 -4.804 7.136 1.00 0.00 ? 19 ARG A CD 1 ATOM 310 N NE . ARG A 1 19 ? -3.914 -5.724 6.039 1.00 0.00 ? 19 ARG A NE 1 ATOM 311 C CZ . ARG A 1 19 ? -4.165 -7.028 6.089 1.00 0.00 ? 19 ARG A CZ 1 ATOM 312 N NH1 . ARG A 1 19 ? -4.702 -7.561 7.178 1.00 0.00 ? 19 ARG A NH1 1 ATOM 313 N NH2 . ARG A 1 19 ? -3.881 -7.801 5.049 1.00 0.00 ? 19 ARG A NH2 1 ATOM 314 H H . ARG A 1 19 ? -5.821 -0.422 5.469 1.00 0.00 ? 19 ARG A H 1 ATOM 315 H HA . ARG A 1 19 ? -3.411 -0.713 6.987 1.00 0.00 ? 19 ARG A HA 1 ATOM 316 H HB2 . ARG A 1 19 ? -5.329 -2.316 7.079 1.00 0.00 ? 19 ARG A HB2 1 ATOM 317 H HB3 . ARG A 1 19 ? -4.928 -2.826 5.445 1.00 0.00 ? 19 ARG A HB3 1 ATOM 318 H HG2 . ARG A 1 19 ? -2.721 -3.560 6.231 1.00 0.00 ? 19 ARG A HG2 1 ATOM 319 H HG3 . ARG A 1 19 ? -3.165 -3.088 7.872 1.00 0.00 ? 19 ARG A HG3 1 ATOM 320 H HD2 . ARG A 1 19 ? -3.823 -5.230 8.055 1.00 0.00 ? 19 ARG A HD2 1 ATOM 321 H HD3 . ARG A 1 19 ? -5.264 -4.664 7.212 1.00 0.00 ? 19 ARG A HD3 1 ATOM 322 H HE . ARG A 1 19 ? -3.517 -5.352 5.224 1.00 0.00 ? 19 ARG A HE 1 ATOM 323 H HH11 . ARG A 1 19 ? -4.918 -6.981 7.964 1.00 0.00 ? 19 ARG A HH11 1 ATOM 324 H HH12 . ARG A 1 19 ? -4.891 -8.542 7.214 1.00 0.00 ? 19 ARG A HH12 1 ATOM 325 H HH21 . ARG A 1 19 ? -3.477 -7.403 4.226 1.00 0.00 ? 19 ARG A HH21 1 ATOM 326 H HH22 . ARG A 1 19 ? -4.071 -8.782 5.089 1.00 0.00 ? 19 ARG A HH22 1 ATOM 327 N N . LEU A 1 20 ? -3.318 -0.904 3.750 1.00 0.00 ? 20 LEU A N 1 ATOM 328 C CA . LEU A 1 20 ? -2.435 -0.959 2.595 1.00 0.00 ? 20 LEU A CA 1 ATOM 329 C C . LEU A 1 20 ? -1.502 0.244 2.592 1.00 0.00 ? 20 LEU A C 1 ATOM 330 O O . LEU A 1 20 ? -0.315 0.121 2.291 1.00 0.00 ? 20 LEU A O 1 ATOM 331 C CB . LEU A 1 20 ? -3.249 -0.997 1.301 1.00 0.00 ? 20 LEU A CB 1 ATOM 332 C CG . LEU A 1 20 ? -3.722 -2.388 0.874 1.00 0.00 ? 20 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 20 ? -4.882 -2.280 -0.104 1.00 0.00 ? 20 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 20 ? -2.574 -3.174 0.259 1.00 0.00 ? 20 LEU A CD2 1 ATOM 335 H H . LEU A 1 20 ? -4.258 -0.657 3.622 1.00 0.00 ? 20 LEU A H 1 ATOM 336 H HA . LEU A 1 20 ? -1.845 -1.860 2.669 1.00 0.00 ? 20 LEU A HA 1 ATOM 337 H HB2 . LEU A 1 20 ? -4.117 -0.366 1.428 1.00 0.00 ? 20 LEU A HB2 1 ATOM 338 H HB3 . LEU A 1 20 ? -2.643 -0.589 0.508 1.00 0.00 ? 20 LEU A HB3 1 ATOM 339 H HG . LEU A 1 20 ? -4.068 -2.926 1.745 1.00 0.00 ? 20 LEU A HG 1 ATOM 340 H HD11 . LEU A 1 20 ? -5.204 -1.252 -0.168 1.00 0.00 ? 20 LEU A HD11 1 ATOM 341 H HD12 . LEU A 1 20 ? -4.563 -2.620 -1.078 1.00 0.00 ? 20 LEU A HD12 1 ATOM 342 H HD13 . LEU A 1 20 ? -5.701 -2.893 0.241 1.00 0.00 ? 20 LEU A HD13 1 ATOM 343 H HD21 . LEU A 1 20 ? -1.813 -2.489 -0.086 1.00 0.00 ? 20 LEU A HD21 1 ATOM 344 H HD22 . LEU A 1 20 ? -2.153 -3.836 1.001 1.00 0.00 ? 20 LEU A HD22 1 ATOM 345 H HD23 . LEU A 1 20 ? -2.941 -3.754 -0.575 1.00 0.00 ? 20 LEU A HD23 1 ATOM 346 N N . GLN A 1 21 ? -2.047 1.406 2.938 1.00 0.00 ? 21 GLN A N 1 ATOM 347 C CA . GLN A 1 21 ? -1.262 2.633 2.984 1.00 0.00 ? 21 GLN A CA 1 ATOM 348 C C . GLN A 1 21 ? -0.157 2.524 4.029 1.00 0.00 ? 21 GLN A C 1 ATOM 349 O O . GLN A 1 21 ? 0.980 2.930 3.790 1.00 0.00 ? 21 GLN A O 1 ATOM 350 C CB . GLN A 1 21 ? -2.162 3.829 3.299 1.00 0.00 ? 21 GLN A CB 1 ATOM 351 C CG . GLN A 1 21 ? -1.540 5.169 2.943 1.00 0.00 ? 21 GLN A CG 1 ATOM 352 C CD . GLN A 1 21 ? -2.509 6.091 2.230 1.00 0.00 ? 21 GLN A CD 1 ATOM 353 O OE1 . GLN A 1 21 ? -2.196 6.642 1.174 1.00 0.00 ? 21 GLN A OE1 1 ATOM 354 N NE2 . GLN A 1 21 ? -3.693 6.265 2.805 1.00 0.00 ? 21 GLN A NE2 1 ATOM 355 H H . GLN A 1 21 ? -2.999 1.438 3.173 1.00 0.00 ? 21 GLN A H 1 ATOM 356 H HA . GLN A 1 21 ? -0.812 2.776 2.013 1.00 0.00 ? 21 GLN A HA 1 ATOM 357 H HB2 . GLN A 1 21 ? -3.084 3.727 2.745 1.00 0.00 ? 21 GLN A HB2 1 ATOM 358 H HB3 . GLN A 1 21 ? -2.386 3.829 4.355 1.00 0.00 ? 21 GLN A HB3 1 ATOM 359 H HG2 . GLN A 1 21 ? -1.211 5.651 3.852 1.00 0.00 ? 21 GLN A HG2 1 ATOM 360 H HG3 . GLN A 1 21 ? -0.689 4.997 2.300 1.00 0.00 ? 21 GLN A HG3 1 ATOM 361 H HE21 . GLN A 1 21 ? -3.872 5.794 3.646 1.00 0.00 ? 21 GLN A HE21 1 ATOM 362 H HE22 . GLN A 1 21 ? -4.339 6.856 2.365 1.00 0.00 ? 21 GLN A HE22 1 ATOM 363 N N . LYS A 1 22 ? -0.497 1.969 5.189 1.00 0.00 ? 22 LYS A N 1 ATOM 364 C CA . LYS A 1 22 ? 0.472 1.805 6.266 1.00 0.00 ? 22 LYS A CA 1 ATOM 365 C C . LYS A 1 22 ? 1.582 0.844 5.851 1.00 0.00 ? 22 LYS A C 1 ATOM 366 O O . LYS A 1 22 ? 2.750 1.044 6.190 1.00 0.00 ? 22 LYS A O 1 ATOM 367 C CB . LYS A 1 22 ? -0.220 1.291 7.529 1.00 0.00 ? 22 LYS A CB 1 ATOM 368 C CG . LYS A 1 22 ? 0.678 1.288 8.756 1.00 0.00 ? 22 LYS A CG 1 ATOM 369 C CD . LYS A 1 22 ? 0.380 0.104 9.661 1.00 0.00 ? 22 LYS A CD 1 ATOM 370 C CE . LYS A 1 22 ? 0.588 -1.217 8.938 1.00 0.00 ? 22 LYS A CE 1 ATOM 371 N NZ . LYS A 1 22 ? 1.109 -2.273 9.849 1.00 0.00 ? 22 LYS A NZ 1 ATOM 372 H H . LYS A 1 22 ? -1.419 1.661 5.322 1.00 0.00 ? 22 LYS A H 1 ATOM 373 H HA . LYS A 1 22 ? 0.907 2.772 6.471 1.00 0.00 ? 22 LYS A HA 1 ATOM 374 H HB2 . LYS A 1 22 ? -1.075 1.916 7.737 1.00 0.00 ? 22 LYS A HB2 1 ATOM 375 H HB3 . LYS A 1 22 ? -0.557 0.280 7.354 1.00 0.00 ? 22 LYS A HB3 1 ATOM 376 H HG2 . LYS A 1 22 ? 1.708 1.233 8.436 1.00 0.00 ? 22 LYS A HG2 1 ATOM 377 H HG3 . LYS A 1 22 ? 0.519 2.202 9.308 1.00 0.00 ? 22 LYS A HG3 1 ATOM 378 H HD2 . LYS A 1 22 ? 1.038 0.142 10.516 1.00 0.00 ? 22 LYS A HD2 1 ATOM 379 H HD3 . LYS A 1 22 ? -0.647 0.166 9.992 1.00 0.00 ? 22 LYS A HD3 1 ATOM 380 H HE2 . LYS A 1 22 ? -0.358 -1.541 8.529 1.00 0.00 ? 22 LYS A HE2 1 ATOM 381 H HE3 . LYS A 1 22 ? 1.293 -1.065 8.135 1.00 0.00 ? 22 LYS A HE3 1 ATOM 382 H HZ1 . LYS A 1 22 ? 0.833 -2.067 10.830 1.00 0.00 ? 22 LYS A HZ1 1 ATOM 383 H HZ2 . LYS A 1 22 ? 0.723 -3.200 9.580 1.00 0.00 ? 22 LYS A HZ2 1 ATOM 384 H HZ3 . LYS A 1 22 ? 2.147 -2.313 9.793 1.00 0.00 ? 22 LYS A HZ3 1 ATOM 385 N N . GLU A 1 23 ? 1.209 -0.199 5.118 1.00 0.00 ? 23 GLU A N 1 ATOM 386 C CA . GLU A 1 23 ? 2.170 -1.194 4.657 1.00 0.00 ? 23 GLU A CA 1 ATOM 387 C C . GLU A 1 23 ? 3.178 -0.581 3.689 1.00 0.00 ? 23 GLU A C 1 ATOM 388 O O . GLU A 1 23 ? 4.365 -0.914 3.721 1.00 0.00 ? 23 GLU A O 1 ATOM 389 C CB . GLU A 1 23 ? 1.444 -2.359 3.982 1.00 0.00 ? 23 GLU A CB 1 ATOM 390 C CG . GLU A 1 23 ? 2.247 -3.650 3.968 1.00 0.00 ? 23 GLU A CG 1 ATOM 391 C CD . GLU A 1 23 ? 1.377 -4.875 3.761 1.00 0.00 ? 23 GLU A CD 1 ATOM 392 O OE1 . GLU A 1 23 ? 0.506 -4.840 2.866 1.00 0.00 ? 23 GLU A OE1 1 ATOM 393 O OE2 . GLU A 1 23 ? 1.567 -5.869 4.493 1.00 0.00 ? 23 GLU A OE2 1 ATOM 394 H H . GLU A 1 23 ? 0.263 -0.304 4.882 1.00 0.00 ? 23 GLU A H 1 ATOM 395 H HA . GLU A 1 23 ? 2.700 -1.566 5.521 1.00 0.00 ? 23 GLU A HA 1 ATOM 396 H HB2 . GLU A 1 23 ? 0.517 -2.543 4.506 1.00 0.00 ? 23 GLU A HB2 1 ATOM 397 H HB3 . GLU A 1 23 ? 1.222 -2.087 2.961 1.00 0.00 ? 23 GLU A HB3 1 ATOM 398 H HG2 . GLU A 1 23 ? 2.969 -3.601 3.167 1.00 0.00 ? 23 GLU A HG2 1 ATOM 399 H HG3 . GLU A 1 23 ? 2.763 -3.748 4.912 1.00 0.00 ? 23 GLU A HG3 1 ATOM 400 N N . ILE A 1 24 ? 2.705 0.317 2.830 1.00 0.00 ? 24 ILE A N 1 ATOM 401 C CA . ILE A 1 24 ? 3.580 0.967 1.859 1.00 0.00 ? 24 ILE A CA 1 ATOM 402 C C . ILE A 1 24 ? 4.624 1.824 2.577 1.00 0.00 ? 24 ILE A C 1 ATOM 403 O O . ILE A 1 24 ? 5.793 1.853 2.191 1.00 0.00 ? 24 ILE A O 1 ATOM 404 C CB . ILE A 1 24 ? 2.783 1.813 0.812 1.00 0.00 ? 24 ILE A CB 1 ATOM 405 C CG1 . ILE A 1 24 ? 2.636 3.284 1.233 1.00 0.00 ? 24 ILE A CG1 1 ATOM 406 C CG2 . ILE A 1 24 ? 1.409 1.209 0.563 1.00 0.00 ? 24 ILE A CG2 1 ATOM 407 C CD1 . ILE A 1 24 ? 3.829 4.133 0.850 1.00 0.00 ? 24 ILE A CD1 1 ATOM 408 H H . ILE A 1 24 ? 1.753 0.546 2.852 1.00 0.00 ? 24 ILE A H 1 ATOM 409 H HA . ILE A 1 24 ? 4.099 0.182 1.323 1.00 0.00 ? 24 ILE A HA 1 ATOM 410 H HB . ILE A 1 24 ? 3.328 1.774 -0.120 1.00 0.00 ? 24 ILE A HB 1 ATOM 411 H HG12 . ILE A 1 24 ? 1.763 3.704 0.756 1.00 0.00 ? 24 ILE A HG12 1 ATOM 412 H HG13 . ILE A 1 24 ? 2.518 3.337 2.304 1.00 0.00 ? 24 ILE A HG13 1 ATOM 413 H HG21 . ILE A 1 24 ? 1.424 0.161 0.821 1.00 0.00 ? 24 ILE A HG21 1 ATOM 414 H HG22 . ILE A 1 24 ? 0.677 1.718 1.170 1.00 0.00 ? 24 ILE A HG22 1 ATOM 415 H HG23 . ILE A 1 24 ? 1.151 1.319 -0.478 1.00 0.00 ? 24 ILE A HG23 1 ATOM 416 H HD11 . ILE A 1 24 ? 4.570 3.514 0.364 1.00 0.00 ? 24 ILE A HD11 1 ATOM 417 H HD12 . ILE A 1 24 ? 3.513 4.915 0.175 1.00 0.00 ? 24 ILE A HD12 1 ATOM 418 H HD13 . ILE A 1 24 ? 4.255 4.575 1.739 1.00 0.00 ? 24 ILE A HD13 1 ATOM 419 N N . GLU A 1 25 ? 4.187 2.514 3.626 1.00 0.00 ? 25 GLU A N 1 ATOM 420 C CA . GLU A 1 25 ? 5.074 3.367 4.406 1.00 0.00 ? 25 GLU A CA 1 ATOM 421 C C . GLU A 1 25 ? 6.227 2.553 4.980 1.00 0.00 ? 25 GLU A C 1 ATOM 422 O O . GLU A 1 25 ? 7.383 2.973 4.927 1.00 0.00 ? 25 GLU A O 1 ATOM 423 C CB . GLU A 1 25 ? 4.301 4.049 5.536 1.00 0.00 ? 25 GLU A CB 1 ATOM 424 C CG . GLU A 1 25 ? 4.922 5.358 5.994 1.00 0.00 ? 25 GLU A CG 1 ATOM 425 C CD . GLU A 1 25 ? 3.963 6.527 5.886 1.00 0.00 ? 25 GLU A CD 1 ATOM 426 O OE1 . GLU A 1 25 ? 3.083 6.657 6.762 1.00 0.00 ? 25 GLU A OE1 1 ATOM 427 O OE2 . GLU A 1 25 ? 4.093 7.313 4.924 1.00 0.00 ? 25 GLU A OE2 1 ATOM 428 H H . GLU A 1 25 ? 3.243 2.444 3.884 1.00 0.00 ? 25 GLU A H 1 ATOM 429 H HA . GLU A 1 25 ? 5.474 4.122 3.746 1.00 0.00 ? 25 GLU A HA 1 ATOM 430 H HB2 . GLU A 1 25 ? 3.296 4.251 5.198 1.00 0.00 ? 25 GLU A HB2 1 ATOM 431 H HB3 . GLU A 1 25 ? 4.258 3.380 6.383 1.00 0.00 ? 25 GLU A HB3 1 ATOM 432 H HG2 . GLU A 1 25 ? 5.226 5.256 7.025 1.00 0.00 ? 25 GLU A HG2 1 ATOM 433 H HG3 . GLU A 1 25 ? 5.789 5.564 5.383 1.00 0.00 ? 25 GLU A HG3 1 ATOM 434 N N . ARG A 1 26 ? 5.906 1.382 5.521 1.00 0.00 ? 26 ARG A N 1 ATOM 435 C CA . ARG A 1 26 ? 6.919 0.506 6.095 1.00 0.00 ? 26 ARG A CA 1 ATOM 436 C C . ARG A 1 26 ? 8.002 0.205 5.065 1.00 0.00 ? 26 ARG A C 1 ATOM 437 O O . ARG A 1 26 ? 9.195 0.338 5.343 1.00 0.00 ? 26 ARG A O 1 ATOM 438 C CB . ARG A 1 26 ? 6.284 -0.796 6.584 1.00 0.00 ? 26 ARG A CB 1 ATOM 439 C CG . ARG A 1 26 ? 6.831 -1.277 7.918 1.00 0.00 ? 26 ARG A CG 1 ATOM 440 C CD . ARG A 1 26 ? 5.917 -0.888 9.068 1.00 0.00 ? 26 ARG A CD 1 ATOM 441 N NE . ARG A 1 26 ? 6.549 -1.103 10.366 1.00 0.00 ? 26 ARG A NE 1 ATOM 442 C CZ . ARG A 1 26 ? 6.782 -2.306 10.882 1.00 0.00 ? 26 ARG A CZ 1 ATOM 443 N NH1 . ARG A 1 26 ? 6.435 -3.395 10.210 1.00 0.00 ? 26 ARG A NH1 1 ATOM 444 N NH2 . ARG A 1 26 ? 7.361 -2.420 12.069 1.00 0.00 ? 26 ARG A NH2 1 ATOM 445 H H . ARG A 1 26 ? 4.967 1.098 5.528 1.00 0.00 ? 26 ARG A H 1 ATOM 446 H HA . ARG A 1 26 ? 7.366 1.019 6.933 1.00 0.00 ? 26 ARG A HA 1 ATOM 447 H HB2 . ARG A 1 26 ? 5.219 -0.647 6.689 1.00 0.00 ? 26 ARG A HB2 1 ATOM 448 H HB3 . ARG A 1 26 ? 6.459 -1.567 5.848 1.00 0.00 ? 26 ARG A HB3 1 ATOM 449 H HG2 . ARG A 1 26 ? 6.923 -2.353 7.892 1.00 0.00 ? 26 ARG A HG2 1 ATOM 450 H HG3 . ARG A 1 26 ? 7.804 -0.835 8.077 1.00 0.00 ? 26 ARG A HG3 1 ATOM 451 H HD2 . ARG A 1 26 ? 5.662 0.157 8.971 1.00 0.00 ? 26 ARG A HD2 1 ATOM 452 H HD3 . ARG A 1 26 ? 5.017 -1.483 9.013 1.00 0.00 ? 26 ARG A HD3 1 ATOM 453 H HE . ARG A 1 26 ? 6.813 -0.311 10.880 1.00 0.00 ? 26 ARG A HE 1 ATOM 454 H HH11 . ARG A 1 26 ? 5.998 -3.313 9.315 1.00 0.00 ? 26 ARG A HH11 1 ATOM 455 H HH12 . ARG A 1 26 ? 6.611 -4.300 10.599 1.00 0.00 ? 26 ARG A HH12 1 ATOM 456 H HH21 . ARG A 1 26 ? 7.624 -1.600 12.578 1.00 0.00 ? 26 ARG A HH21 1 ATOM 457 H HH22 . ARG A 1 26 ? 7.535 -3.326 12.455 1.00 0.00 ? 26 ARG A HH22 1 ATOM 458 N N . HIS A 1 27 ? 7.575 -0.191 3.870 1.00 0.00 ? 27 HIS A N 1 ATOM 459 C CA . HIS A 1 27 ? 8.506 -0.500 2.793 1.00 0.00 ? 27 HIS A CA 1 ATOM 460 C C . HIS A 1 27 ? 9.276 0.749 2.375 1.00 0.00 ? 27 HIS A C 1 ATOM 461 O O . HIS A 1 27 ? 10.382 0.659 1.841 1.00 0.00 ? 27 HIS A O 1 ATOM 462 C CB . HIS A 1 27 ? 7.757 -1.080 1.592 1.00 0.00 ? 27 HIS A CB 1 ATOM 463 C CG . HIS A 1 27 ? 7.819 -2.573 1.512 1.00 0.00 ? 27 HIS A CG 1 ATOM 464 N ND1 . HIS A 1 27 ? 8.912 -3.256 1.019 1.00 0.00 ? 27 HIS A ND1 1 ATOM 465 C CD2 . HIS A 1 27 ? 6.916 -3.518 1.867 1.00 0.00 ? 27 HIS A CD2 1 ATOM 466 C CE1 . HIS A 1 27 ? 8.678 -4.556 1.073 1.00 0.00 ? 27 HIS A CE1 1 ATOM 467 N NE2 . HIS A 1 27 ? 7.475 -4.740 1.584 1.00 0.00 ? 27 HIS A NE2 1 ATOM 468 H H . HIS A 1 27 ? 6.610 -0.270 3.707 1.00 0.00 ? 27 HIS A H 1 ATOM 469 H HA . HIS A 1 27 ? 9.206 -1.235 3.160 1.00 0.00 ? 27 HIS A HA 1 ATOM 470 H HB2 . HIS A 1 27 ? 6.717 -0.794 1.653 1.00 0.00 ? 27 HIS A HB2 1 ATOM 471 H HB3 . HIS A 1 27 ? 8.183 -0.679 0.684 1.00 0.00 ? 27 HIS A HB3 1 ATOM 472 H HD1 . HIS A 1 27 ? 9.736 -2.849 0.679 1.00 0.00 ? 27 HIS A HD1 1 ATOM 473 H HD2 . HIS A 1 27 ? 5.938 -3.343 2.293 1.00 0.00 ? 27 HIS A HD2 1 ATOM 474 H HE1 . HIS A 1 27 ? 9.355 -5.334 0.755 1.00 0.00 ? 27 HIS A HE1 1 ATOM 475 H HE2 . HIS A 1 27 ? 7.051 -5.611 1.735 1.00 0.00 ? 27 HIS A HE2 1 ATOM 476 N N . LYS A 1 28 ? 8.683 1.914 2.623 1.00 0.00 ? 28 LYS A N 1 ATOM 477 C CA . LYS A 1 28 ? 9.312 3.182 2.275 1.00 0.00 ? 28 LYS A CA 1 ATOM 478 C C . LYS A 1 28 ? 10.403 3.539 3.280 1.00 0.00 ? 28 LYS A C 1 ATOM 479 O O . LYS A 1 28 ? 11.346 4.261 2.957 1.00 0.00 ? 28 LYS A O 1 ATOM 480 C CB . LYS A 1 28 ? 8.266 4.297 2.222 1.00 0.00 ? 28 LYS A CB 1 ATOM 481 C CG . LYS A 1 28 ? 8.749 5.551 1.513 1.00 0.00 ? 28 LYS A CG 1 ATOM 482 C CD . LYS A 1 28 ? 8.374 6.806 2.285 1.00 0.00 ? 28 LYS A CD 1 ATOM 483 C CE . LYS A 1 28 ? 9.261 6.996 3.505 1.00 0.00 ? 28 LYS A CE 1 ATOM 484 N NZ . LYS A 1 28 ? 9.571 8.431 3.749 1.00 0.00 ? 28 LYS A NZ 1 ATOM 485 H H . LYS A 1 28 ? 7.803 1.921 3.052 1.00 0.00 ? 28 LYS A H 1 ATOM 486 H HA . LYS A 1 28 ? 9.759 3.073 1.300 1.00 0.00 ? 28 LYS A HA 1 ATOM 487 H HB2 . LYS A 1 28 ? 7.392 3.930 1.703 1.00 0.00 ? 28 LYS A HB2 1 ATOM 488 H HB3 . LYS A 1 28 ? 7.989 4.563 3.231 1.00 0.00 ? 28 LYS A HB3 1 ATOM 489 H HG2 . LYS A 1 28 ? 9.824 5.508 1.418 1.00 0.00 ? 28 LYS A HG2 1 ATOM 490 H HG3 . LYS A 1 28 ? 8.300 5.594 0.532 1.00 0.00 ? 28 LYS A HG3 1 ATOM 491 H HD2 . LYS A 1 28 ? 8.484 7.661 1.636 1.00 0.00 ? 28 LYS A HD2 1 ATOM 492 H HD3 . LYS A 1 28 ? 7.347 6.725 2.607 1.00 0.00 ? 28 LYS A HD3 1 ATOM 493 H HE2 . LYS A 1 28 ? 8.754 6.595 4.369 1.00 0.00 ? 28 LYS A HE2 1 ATOM 494 H HE3 . LYS A 1 28 ? 10.185 6.458 3.349 1.00 0.00 ? 28 LYS A HE3 1 ATOM 495 H HZ1 . LYS A 1 28 ? 10.019 8.848 2.907 1.00 0.00 ? 28 LYS A HZ1 1 ATOM 496 H HZ2 . LYS A 1 28 ? 8.698 8.955 3.958 1.00 0.00 ? 28 LYS A HZ2 1 ATOM 497 H HZ3 . LYS A 1 28 ? 10.220 8.524 4.556 1.00 0.00 ? 28 LYS A HZ3 1 ATOM 498 N N . GLN A 1 29 ? 10.266 3.028 4.499 1.00 0.00 ? 29 GLN A N 1 ATOM 499 C CA . GLN A 1 29 ? 11.239 3.291 5.552 1.00 0.00 ? 29 GLN A CA 1 ATOM 500 C C . GLN A 1 29 ? 12.476 2.417 5.375 1.00 0.00 ? 29 GLN A C 1 ATOM 501 O O . GLN A 1 29 ? 13.595 2.843 5.661 1.00 0.00 ? 29 GLN A O 1 ATOM 502 C CB . GLN A 1 29 ? 10.616 3.043 6.927 1.00 0.00 ? 29 GLN A CB 1 ATOM 503 C CG . GLN A 1 29 ? 11.324 3.773 8.056 1.00 0.00 ? 29 GLN A CG 1 ATOM 504 C CD . GLN A 1 29 ? 10.485 3.850 9.316 1.00 0.00 ? 29 GLN A CD 1 ATOM 505 O OE1 . GLN A 1 29 ? 9.518 3.106 9.479 1.00 0.00 ? 29 GLN A OE1 1 ATOM 506 N NE2 . GLN A 1 29 ? 10.852 4.755 10.217 1.00 0.00 ? 29 GLN A NE2 1 ATOM 507 H H . GLN A 1 29 ? 9.493 2.459 4.695 1.00 0.00 ? 29 GLN A H 1 ATOM 508 H HA . GLN A 1 29 ? 11.532 4.328 5.481 1.00 0.00 ? 29 GLN A HA 1 ATOM 509 H HB2 . GLN A 1 29 ? 9.586 3.368 6.906 1.00 0.00 ? 29 GLN A HB2 1 ATOM 510 H HB3 . GLN A 1 29 ? 10.646 1.984 7.136 1.00 0.00 ? 29 GLN A HB3 1 ATOM 511 H HG2 . GLN A 1 29 ? 12.242 3.251 8.285 1.00 0.00 ? 29 GLN A HG2 1 ATOM 512 H HG3 . GLN A 1 29 ? 11.554 4.777 7.731 1.00 0.00 ? 29 GLN A HG3 1 ATOM 513 H HE21 . GLN A 1 29 ? 11.633 5.314 10.020 1.00 0.00 ? 29 GLN A HE21 1 ATOM 514 H HE22 . GLN A 1 29 ? 10.327 4.827 11.041 1.00 0.00 ? 29 GLN A HE22 1 ATOM 515 N N . SER A 1 30 ? 12.265 1.193 4.902 1.00 0.00 ? 30 SER A N 1 ATOM 516 C CA . SER A 1 30 ? 13.364 0.259 4.686 1.00 0.00 ? 30 SER A CA 1 ATOM 517 C C . SER A 1 30 ? 14.168 0.643 3.447 1.00 0.00 ? 30 SER A C 1 ATOM 518 O O . SER A 1 30 ? 15.389 0.491 3.416 1.00 0.00 ? 30 SER A O 1 ATOM 519 C CB . SER A 1 30 ? 12.829 -1.166 4.540 1.00 0.00 ? 30 SER A CB 1 ATOM 520 O OG . SER A 1 30 ? 11.745 -1.214 3.629 1.00 0.00 ? 30 SER A OG 1 ATOM 521 H H . SER A 1 30 ? 11.349 0.912 4.693 1.00 0.00 ? 30 SER A H 1 ATOM 522 H HA . SER A 1 30 ? 14.012 0.305 5.548 1.00 0.00 ? 30 SER A HA 1 ATOM 523 H HB2 . SER A 1 30 ? 13.617 -1.809 4.176 1.00 0.00 ? 30 SER A HB2 1 ATOM 524 H HB3 . SER A 1 30 ? 12.491 -1.522 5.502 1.00 0.00 ? 30 SER A HB3 1 ATOM 525 H HG . SER A 1 30 ? 11.022 -1.712 4.017 1.00 0.00 ? 30 SER A HG 1 ATOM 526 N N . ILE A 1 31 ? 13.475 1.143 2.429 1.00 0.00 ? 31 ILE A N 1 ATOM 527 C CA . ILE A 1 31 ? 14.123 1.550 1.189 1.00 0.00 ? 31 ILE A CA 1 ATOM 528 C C . ILE A 1 31 ? 14.816 2.899 1.355 1.00 0.00 ? 31 ILE A C 1 ATOM 529 O O . ILE A 1 31 ? 15.814 3.181 0.692 1.00 0.00 ? 31 ILE A O 1 ATOM 530 C CB . ILE A 1 31 ? 13.106 1.633 0.034 1.00 0.00 ? 31 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 31 ? 13.774 2.116 -1.255 1.00 0.00 ? 31 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 31 ? 11.953 2.549 0.410 1.00 0.00 ? 31 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 31 ? 14.621 1.061 -1.928 1.00 0.00 ? 31 ILE A CD1 1 ATOM 534 H H . ILE A 1 31 ? 12.503 1.241 2.514 1.00 0.00 ? 31 ILE A H 1 ATOM 535 H HA . ILE A 1 31 ? 14.863 0.804 0.938 1.00 0.00 ? 31 ILE A HA 1 ATOM 536 H HB . ILE A 1 31 ? 12.707 0.643 -0.128 1.00 0.00 ? 31 ILE A HB 1 ATOM 537 H HG12 . ILE A 1 31 ? 13.008 2.419 -1.955 1.00 0.00 ? 31 ILE A HG12 1 ATOM 538 H HG13 . ILE A 1 31 ? 14.407 2.962 -1.034 1.00 0.00 ? 31 ILE A HG13 1 ATOM 539 H HG21 . ILE A 1 31 ? 12.024 2.807 1.456 1.00 0.00 ? 31 ILE A HG21 1 ATOM 540 H HG22 . ILE A 1 31 ? 11.999 3.449 -0.186 1.00 0.00 ? 31 ILE A HG22 1 ATOM 541 H HG23 . ILE A 1 31 ? 11.017 2.043 0.227 1.00 0.00 ? 31 ILE A HG23 1 ATOM 542 H HD11 . ILE A 1 31 ? 15.286 0.616 -1.202 1.00 0.00 ? 31 ILE A HD11 1 ATOM 543 H HD12 . ILE A 1 31 ? 13.980 0.299 -2.343 1.00 0.00 ? 31 ILE A HD12 1 ATOM 544 H HD13 . ILE A 1 31 ? 15.201 1.514 -2.718 1.00 0.00 ? 31 ILE A HD13 1 ATOM 545 N N . LYS A 1 32 ? 14.283 3.727 2.247 1.00 0.00 ? 32 LYS A N 1 ATOM 546 C CA . LYS A 1 32 ? 14.853 5.044 2.503 1.00 0.00 ? 32 LYS A CA 1 ATOM 547 C C . LYS A 1 32 ? 16.065 4.939 3.423 1.00 0.00 ? 32 LYS A C 1 ATOM 548 O O . LYS A 1 32 ? 17.003 5.730 3.323 1.00 0.00 ? 32 LYS A O 1 ATOM 549 C CB . LYS A 1 32 ? 13.803 5.966 3.124 1.00 0.00 ? 32 LYS A CB 1 ATOM 550 C CG . LYS A 1 32 ? 14.276 7.400 3.290 1.00 0.00 ? 32 LYS A CG 1 ATOM 551 C CD . LYS A 1 32 ? 14.025 8.218 2.034 1.00 0.00 ? 32 LYS A CD 1 ATOM 552 C CE . LYS A 1 32 ? 12.670 8.905 2.077 1.00 0.00 ? 32 LYS A CE 1 ATOM 553 N NZ . LYS A 1 32 ? 11.964 8.825 0.769 1.00 0.00 ? 32 LYS A NZ 1 ATOM 554 H H . LYS A 1 32 ? 13.489 3.444 2.748 1.00 0.00 ? 32 LYS A H 1 ATOM 555 H HA . LYS A 1 32 ? 15.169 5.457 1.557 1.00 0.00 ? 32 LYS A HA 1 ATOM 556 H HB2 . LYS A 1 32 ? 12.925 5.970 2.495 1.00 0.00 ? 32 LYS A HB2 1 ATOM 557 H HB3 . LYS A 1 32 ? 13.535 5.584 4.098 1.00 0.00 ? 32 LYS A HB3 1 ATOM 558 H HG2 . LYS A 1 32 ? 13.743 7.852 4.113 1.00 0.00 ? 32 LYS A HG2 1 ATOM 559 H HG3 . LYS A 1 32 ? 15.335 7.398 3.502 1.00 0.00 ? 32 LYS A HG3 1 ATOM 560 H HD2 . LYS A 1 32 ? 14.796 8.969 1.945 1.00 0.00 ? 32 LYS A HD2 1 ATOM 561 H HD3 . LYS A 1 32 ? 14.059 7.562 1.176 1.00 0.00 ? 32 LYS A HD3 1 ATOM 562 H HE2 . LYS A 1 32 ? 12.064 8.430 2.833 1.00 0.00 ? 32 LYS A HE2 1 ATOM 563 H HE3 . LYS A 1 32 ? 12.816 9.944 2.335 1.00 0.00 ? 32 LYS A HE3 1 ATOM 564 H HZ1 . LYS A 1 32 ? 11.903 7.834 0.456 1.00 0.00 ? 32 LYS A HZ1 1 ATOM 565 H HZ2 . LYS A 1 32 ? 11.001 9.209 0.858 1.00 0.00 ? 32 LYS A HZ2 1 ATOM 566 H HZ3 . LYS A 1 32 ? 12.478 9.372 0.050 1.00 0.00 ? 32 LYS A HZ3 1 ATOM 567 N N . LYS A 1 33 ? 16.039 3.955 4.316 1.00 0.00 ? 33 LYS A N 1 ATOM 568 C CA . LYS A 1 33 ? 17.138 3.745 5.251 1.00 0.00 ? 33 LYS A CA 1 ATOM 569 C C . LYS A 1 33 ? 18.289 3.012 4.573 1.00 0.00 ? 33 LYS A C 1 ATOM 570 O O . LYS A 1 33 ? 19.458 3.253 4.877 1.00 0.00 ? 33 LYS A O 1 ATOM 571 C CB . LYS A 1 33 ? 16.656 2.952 6.468 1.00 0.00 ? 33 LYS A CB 1 ATOM 572 C CG . LYS A 1 33 ? 17.589 3.048 7.664 1.00 0.00 ? 33 LYS A CG 1 ATOM 573 C CD . LYS A 1 33 ? 17.015 3.948 8.746 1.00 0.00 ? 33 LYS A CD 1 ATOM 574 C CE . LYS A 1 33 ? 17.316 5.412 8.469 1.00 0.00 ? 33 LYS A CE 1 ATOM 575 N NZ . LYS A 1 33 ? 18.302 5.969 9.436 1.00 0.00 ? 33 LYS A NZ 1 ATOM 576 H H . LYS A 1 33 ? 15.265 3.355 4.345 1.00 0.00 ? 33 LYS A H 1 ATOM 577 H HA . LYS A 1 33 ? 17.486 4.714 5.577 1.00 0.00 ? 33 LYS A HA 1 ATOM 578 H HB2 . LYS A 1 33 ? 15.686 3.322 6.764 1.00 0.00 ? 33 LYS A HB2 1 ATOM 579 H HB3 . LYS A 1 33 ? 16.566 1.912 6.192 1.00 0.00 ? 33 LYS A HB3 1 ATOM 580 H HG2 . LYS A 1 33 ? 17.736 2.060 8.074 1.00 0.00 ? 33 LYS A HG2 1 ATOM 581 H HG3 . LYS A 1 33 ? 18.537 3.450 7.338 1.00 0.00 ? 33 LYS A HG3 1 ATOM 582 H HD2 . LYS A 1 33 ? 15.945 3.812 8.784 1.00 0.00 ? 33 LYS A HD2 1 ATOM 583 H HD3 . LYS A 1 33 ? 17.449 3.674 9.697 1.00 0.00 ? 33 LYS A HD3 1 ATOM 584 H HE2 . LYS A 1 33 ? 17.715 5.502 7.470 1.00 0.00 ? 33 LYS A HE2 1 ATOM 585 H HE3 . LYS A 1 33 ? 16.396 5.975 8.541 1.00 0.00 ? 33 LYS A HE3 1 ATOM 586 H HZ1 . LYS A 1 33 ? 18.010 5.751 10.410 1.00 0.00 ? 33 LYS A HZ1 1 ATOM 587 H HZ2 . LYS A 1 33 ? 19.241 5.556 9.267 1.00 0.00 ? 33 LYS A HZ2 1 ATOM 588 H HZ3 . LYS A 1 33 ? 18.365 7.001 9.327 1.00 0.00 ? 33 LYS A HZ3 1 ATOM 589 N N . LEU A 1 34 ? 17.951 2.117 3.651 1.00 0.00 ? 34 LEU A N 1 ATOM 590 C CA . LEU A 1 34 ? 18.955 1.349 2.926 1.00 0.00 ? 34 LEU A CA 1 ATOM 591 C C . LEU A 1 34 ? 19.589 2.194 1.826 1.00 0.00 ? 34 LEU A C 1 ATOM 592 O O . LEU A 1 34 ? 20.745 1.987 1.458 1.00 0.00 ? 34 LEU A O 1 ATOM 593 C CB . LEU A 1 34 ? 18.329 0.090 2.323 1.00 0.00 ? 34 LEU A CB 1 ATOM 594 C CG . LEU A 1 34 ? 18.645 -1.210 3.064 1.00 0.00 ? 34 LEU A CG 1 ATOM 595 C CD1 . LEU A 1 34 ? 17.468 -2.169 2.984 1.00 0.00 ? 34 LEU A CD1 1 ATOM 596 C CD2 . LEU A 1 34 ? 19.900 -1.855 2.496 1.00 0.00 ? 34 LEU A CD2 1 ATOM 597 H H . LEU A 1 34 ? 17.002 1.971 3.452 1.00 0.00 ? 34 LEU A H 1 ATOM 598 H HA . LEU A 1 34 ? 19.722 1.059 3.628 1.00 0.00 ? 34 LEU A HA 1 ATOM 599 H HB2 . LEU A 1 34 ? 17.257 0.220 2.306 1.00 0.00 ? 34 LEU A HB2 1 ATOM 600 H HB3 . LEU A 1 34 ? 18.679 -0.008 1.306 1.00 0.00 ? 34 LEU A HB3 1 ATOM 601 H HG . LEU A 1 34 ? 18.824 -0.988 4.106 1.00 0.00 ? 34 LEU A HG 1 ATOM 602 H HD11 . LEU A 1 34 ? 16.597 -1.641 2.626 1.00 0.00 ? 34 LEU A HD11 1 ATOM 603 H HD12 . LEU A 1 34 ? 17.705 -2.974 2.304 1.00 0.00 ? 34 LEU A HD12 1 ATOM 604 H HD13 . LEU A 1 34 ? 17.266 -2.574 3.965 1.00 0.00 ? 34 LEU A HD13 1 ATOM 605 H HD21 . LEU A 1 34 ? 20.588 -1.085 2.177 1.00 0.00 ? 34 LEU A HD21 1 ATOM 606 H HD22 . LEU A 1 34 ? 20.368 -2.463 3.256 1.00 0.00 ? 34 LEU A HD22 1 ATOM 607 H HD23 . LEU A 1 34 ? 19.636 -2.474 1.651 1.00 0.00 ? 34 LEU A HD23 1 ATOM 608 N N . LYS A 1 35 ? 18.824 3.150 1.307 1.00 0.00 ? 35 LYS A N 1 ATOM 609 C CA . LYS A 1 35 ? 19.311 4.029 0.251 1.00 0.00 ? 35 LYS A CA 1 ATOM 610 C C . LYS A 1 35 ? 20.191 5.132 0.829 1.00 0.00 ? 35 LYS A C 1 ATOM 611 O O . LYS A 1 35 ? 21.152 5.569 0.196 1.00 0.00 ? 35 LYS A O 1 ATOM 612 C CB . LYS A 1 35 ? 18.137 4.643 -0.513 1.00 0.00 ? 35 LYS A CB 1 ATOM 613 C CG . LYS A 1 35 ? 18.524 5.206 -1.871 1.00 0.00 ? 35 LYS A CG 1 ATOM 614 C CD . LYS A 1 35 ? 18.173 6.681 -1.982 1.00 0.00 ? 35 LYS A CD 1 ATOM 615 C CE . LYS A 1 35 ? 16.674 6.907 -1.875 1.00 0.00 ? 35 LYS A CE 1 ATOM 616 N NZ . LYS A 1 35 ? 16.264 8.207 -2.473 1.00 0.00 ? 35 LYS A NZ 1 ATOM 617 H H . LYS A 1 35 ? 17.910 3.268 1.644 1.00 0.00 ? 35 LYS A H 1 ATOM 618 H HA . LYS A 1 35 ? 19.901 3.433 -0.429 1.00 0.00 ? 35 LYS A HA 1 ATOM 619 H HB2 . LYS A 1 35 ? 17.384 3.883 -0.664 1.00 0.00 ? 35 LYS A HB2 1 ATOM 620 H HB3 . LYS A 1 35 ? 17.716 5.442 0.078 1.00 0.00 ? 35 LYS A HB3 1 ATOM 621 H HG2 . LYS A 1 35 ? 19.588 5.089 -2.009 1.00 0.00 ? 35 LYS A HG2 1 ATOM 622 H HG3 . LYS A 1 35 ? 17.996 4.661 -2.640 1.00 0.00 ? 35 LYS A HG3 1 ATOM 623 H HD2 . LYS A 1 35 ? 18.665 7.218 -1.185 1.00 0.00 ? 35 LYS A HD2 1 ATOM 624 H HD3 . LYS A 1 35 ? 18.517 7.051 -2.936 1.00 0.00 ? 35 LYS A HD3 1 ATOM 625 H HE2 . LYS A 1 35 ? 16.164 6.107 -2.392 1.00 0.00 ? 35 LYS A HE2 1 ATOM 626 H HE3 . LYS A 1 35 ? 16.394 6.895 -0.832 1.00 0.00 ? 35 LYS A HE3 1 ATOM 627 H HZ1 . LYS A 1 35 ? 16.626 8.284 -3.444 1.00 0.00 ? 35 LYS A HZ1 1 ATOM 628 H HZ2 . LYS A 1 35 ? 15.226 8.279 -2.495 1.00 0.00 ? 35 LYS A HZ2 1 ATOM 629 H HZ3 . LYS A 1 35 ? 16.643 8.994 -1.910 1.00 0.00 ? 35 LYS A HZ3 1 ATOM 630 N N . GLN A 1 36 ? 19.857 5.578 2.035 1.00 0.00 ? 36 GLN A N 1 ATOM 631 C CA . GLN A 1 36 ? 20.618 6.629 2.699 1.00 0.00 ? 36 GLN A CA 1 ATOM 632 C C . GLN A 1 36 ? 21.916 6.075 3.276 1.00 0.00 ? 36 GLN A C 1 ATOM 633 O O . GLN A 1 36 ? 22.923 6.778 3.353 1.00 0.00 ? 36 GLN A O 1 ATOM 634 C CB . GLN A 1 36 ? 19.784 7.269 3.810 1.00 0.00 ? 36 GLN A CB 1 ATOM 635 C CG . GLN A 1 36 ? 20.534 8.328 4.601 1.00 0.00 ? 36 GLN A CG 1 ATOM 636 C CD . GLN A 1 36 ? 20.581 8.023 6.085 1.00 0.00 ? 36 GLN A CD 1 ATOM 637 O OE1 . GLN A 1 36 ? 20.388 6.882 6.502 1.00 0.00 ? 36 GLN A OE1 1 ATOM 638 N NE2 . GLN A 1 36 ? 20.837 9.046 6.892 1.00 0.00 ? 36 GLN A NE2 1 ATOM 639 H H . GLN A 1 36 ? 19.080 5.190 2.491 1.00 0.00 ? 36 GLN A H 1 ATOM 640 H HA . GLN A 1 36 ? 20.858 7.380 1.962 1.00 0.00 ? 36 GLN A HA 1 ATOM 641 H HB2 . GLN A 1 36 ? 18.912 7.729 3.370 1.00 0.00 ? 36 GLN A HB2 1 ATOM 642 H HB3 . GLN A 1 36 ? 19.465 6.498 4.495 1.00 0.00 ? 36 GLN A HB3 1 ATOM 643 H HG2 . GLN A 1 36 ? 21.547 8.386 4.229 1.00 0.00 ? 36 GLN A HG2 1 ATOM 644 H HG3 . GLN A 1 36 ? 20.044 9.280 4.458 1.00 0.00 ? 36 GLN A HG3 1 ATOM 645 H HE21 . GLN A 1 36 ? 20.980 9.928 6.489 1.00 0.00 ? 36 GLN A HE21 1 ATOM 646 H HE22 . GLN A 1 36 ? 20.873 8.877 7.856 1.00 0.00 ? 36 GLN A HE22 1 ATOM 647 N N . SER A 1 37 ? 21.885 4.808 3.678 1.00 0.00 ? 37 SER A N 1 ATOM 648 C CA . SER A 1 37 ? 23.060 4.158 4.245 1.00 0.00 ? 37 SER A CA 1 ATOM 649 C C . SER A 1 37 ? 24.063 3.804 3.152 1.00 0.00 ? 37 SER A C 1 ATOM 650 O O . SER A 1 37 ? 25.263 3.702 3.406 1.00 0.00 ? 37 SER A O 1 ATOM 651 C CB . SER A 1 37 ? 22.653 2.897 5.009 1.00 0.00 ? 37 SER A CB 1 ATOM 652 O OG . SER A 1 37 ? 23.531 2.652 6.094 1.00 0.00 ? 37 SER A OG 1 ATOM 653 H H . SER A 1 37 ? 21.053 4.299 3.589 1.00 0.00 ? 37 SER A H 1 ATOM 654 H HA . SER A 1 37 ? 23.524 4.851 4.931 1.00 0.00 ? 37 SER A HA 1 ATOM 655 H HB2 . SER A 1 37 ? 21.652 3.020 5.394 1.00 0.00 ? 37 SER A HB2 1 ATOM 656 H HB3 . SER A 1 37 ? 22.680 2.049 4.341 1.00 0.00 ? 37 SER A HB3 1 ATOM 657 H HG . SER A 1 37 ? 23.572 1.708 6.267 1.00 0.00 ? 37 SER A HG 1 ATOM 658 N N . GLU A 1 38 ? 23.562 3.618 1.935 1.00 0.00 ? 38 GLU A N 1 ATOM 659 C CA . GLU A 1 38 ? 24.413 3.276 0.802 1.00 0.00 ? 38 GLU A CA 1 ATOM 660 C C . GLU A 1 38 ? 25.214 4.490 0.341 1.00 0.00 ? 38 GLU A C 1 ATOM 661 O O . GLU A 1 38 ? 26.293 4.352 -0.235 1.00 0.00 ? 38 GLU A O 1 ATOM 662 C CB . GLU A 1 38 ? 23.568 2.738 -0.354 1.00 0.00 ? 38 GLU A CB 1 ATOM 663 C CG . GLU A 1 38 ? 24.215 1.576 -1.091 1.00 0.00 ? 38 GLU A CG 1 ATOM 664 C CD . GLU A 1 38 ? 23.395 1.109 -2.277 1.00 0.00 ? 38 GLU A CD 1 ATOM 665 O OE1 . GLU A 1 38 ? 23.030 1.958 -3.117 1.00 0.00 ? 38 GLU A OE1 1 ATOM 666 O OE2 . GLU A 1 38 ? 23.119 -0.106 -2.366 1.00 0.00 ? 38 GLU A OE2 1 ATOM 667 H H . GLU A 1 38 ? 22.596 3.714 1.795 1.00 0.00 ? 38 GLU A H 1 ATOM 668 H HA . GLU A 1 38 ? 25.100 2.508 1.123 1.00 0.00 ? 38 GLU A HA 1 ATOM 669 H HB2 . GLU A 1 38 ? 22.618 2.405 0.035 1.00 0.00 ? 38 GLU A HB2 1 ATOM 670 H HB3 . GLU A 1 38 ? 23.398 3.535 -1.062 1.00 0.00 ? 38 GLU A HB3 1 ATOM 671 H HG2 . GLU A 1 38 ? 25.187 1.887 -1.445 1.00 0.00 ? 38 GLU A HG2 1 ATOM 672 H HG3 . GLU A 1 38 ? 24.331 0.751 -0.404 1.00 0.00 ? 38 GLU A HG3 1 ATOM 673 N N . ASP A 1 39 ? 24.677 5.678 0.597 1.00 0.00 ? 39 ASP A N 1 ATOM 674 C CA . ASP A 1 39 ? 25.341 6.917 0.209 1.00 0.00 ? 39 ASP A CA 1 ATOM 675 C C . ASP A 1 39 ? 26.578 7.162 1.067 1.00 0.00 ? 39 ASP A C 1 ATOM 676 O O . ASP A 1 39 ? 27.521 7.827 0.640 1.00 0.00 ? 39 ASP A O 1 ATOM 677 C CB . ASP A 1 39 ? 24.377 8.097 0.332 1.00 0.00 ? 39 ASP A CB 1 ATOM 678 C CG . ASP A 1 39 ? 24.742 9.240 -0.594 1.00 0.00 ? 39 ASP A CG 1 ATOM 679 O OD1 . ASP A 1 39 ? 25.607 10.058 -0.216 1.00 0.00 ? 39 ASP A OD1 1 ATOM 680 O OD2 . ASP A 1 39 ? 24.162 9.318 -1.697 1.00 0.00 ? 39 ASP A OD2 1 ATOM 681 H H . ASP A 1 39 ? 23.813 5.724 1.059 1.00 0.00 ? 39 ASP A H 1 ATOM 682 H HA . ASP A 1 39 ? 25.647 6.820 -0.822 1.00 0.00 ? 39 ASP A HA 1 ATOM 683 H HB2 . ASP A 1 39 ? 23.379 7.766 0.089 1.00 0.00 ? 39 ASP A HB2 1 ATOM 684 H HB3 . ASP A 1 39 ? 24.393 8.462 1.349 1.00 0.00 ? 39 ASP A HB3 1 ATOM 685 N N . ASP A 1 40 ? 26.566 6.621 2.281 1.00 0.00 ? 40 ASP A N 1 ATOM 686 C CA . ASP A 1 40 ? 27.687 6.781 3.200 1.00 0.00 ? 40 ASP A CA 1 ATOM 687 C C . ASP A 1 40 ? 28.540 5.518 3.243 1.00 0.00 ? 40 ASP A C 1 ATOM 688 O O . ASP A 1 40 ? 28.093 4.441 2.850 1.00 0.00 ? 40 ASP A O 1 ATOM 689 C CB . ASP A 1 40 ? 27.179 7.115 4.604 1.00 0.00 ? 40 ASP A CB 1 ATOM 690 C CG . ASP A 1 40 ? 28.307 7.282 5.602 1.00 0.00 ? 40 ASP A CG 1 ATOM 691 O OD1 . ASP A 1 40 ? 29.185 8.140 5.368 1.00 0.00 ? 40 ASP A OD1 1 ATOM 692 O OD2 . ASP A 1 40 ? 28.314 6.557 6.618 1.00 0.00 ? 40 ASP A OD2 1 ATOM 693 H H . ASP A 1 40 ? 25.786 6.101 2.565 1.00 0.00 ? 40 ASP A H 1 ATOM 694 H HA . ASP A 1 40 ? 28.294 7.598 2.842 1.00 0.00 ? 40 ASP A HA 1 ATOM 695 H HB2 . ASP A 1 40 ? 26.617 8.036 4.566 1.00 0.00 ? 40 ASP A HB2 1 ATOM 696 H HB3 . ASP A 1 40 ? 26.535 6.319 4.946 1.00 0.00 ? 40 ASP A HB3 1 ATOM 697 N N . ASP A 1 41 ? 29.771 5.657 3.724 1.00 0.00 ? 41 ASP A N 1 ATOM 698 C CA . ASP A 1 41 ? 30.688 4.526 3.819 1.00 0.00 ? 41 ASP A CA 1 ATOM 699 C C . ASP A 1 41 ? 31.889 4.871 4.693 1.00 0.00 ? 41 ASP A C 1 ATOM 700 O O . ASP A 1 41 ? 31.804 5.860 5.451 1.00 0.00 ? 41 ASP A O 1 ATOM 701 C CB . ASP A 1 41 ? 31.159 4.107 2.425 1.00 0.00 ? 41 ASP A CB 1 ATOM 702 C CG . ASP A 1 41 ? 31.604 5.289 1.586 1.00 0.00 ? 41 ASP A CG 1 ATOM 703 O OD1 . ASP A 1 41 ? 32.104 6.275 2.166 1.00 0.00 ? 41 ASP A OD1 1 ATOM 704 O OD2 . ASP A 1 41 ? 31.453 5.228 0.347 1.00 0.00 ? 41 ASP A OD2 1 ATOM 705 O OXT . ASP A 1 41 ? 32.905 4.150 4.612 1.00 0.00 ? 41 ASP A OXT 1 ATOM 706 H H . ASP A 1 41 ? 30.071 6.541 4.022 1.00 0.00 ? 41 ASP A H 1 ATOM 707 H HA . ASP A 1 41 ? 30.153 3.704 4.271 1.00 0.00 ? 41 ASP A HA 1 ATOM 708 H HB2 . ASP A 1 41 ? 31.991 3.426 2.523 1.00 0.00 ? 41 ASP A HB2 1 ATOM 709 H HB3 . ASP A 1 41 ? 30.350 3.609 1.913 1.00 0.00 ? 41 ASP A HB3 1 ATOM 710 N N . ALA B 1 1 ? 32.130 -8.928 -5.224 1.00 0.00 ? 1 ALA B N 1 ATOM 711 C CA . ALA B 1 1 ? 30.780 -9.097 -4.626 1.00 0.00 ? 1 ALA B CA 1 ATOM 712 C C . ALA B 1 1 ? 30.845 -9.047 -3.104 1.00 0.00 ? 1 ALA B C 1 ATOM 713 O O . ALA B 1 1 ? 30.791 -10.080 -2.436 1.00 0.00 ? 1 ALA B O 1 ATOM 714 C CB . ALA B 1 1 ? 30.162 -10.410 -5.085 1.00 0.00 ? 1 ALA B CB 1 ATOM 715 H H1 . ALA B 1 1 ? 32.747 -9.665 -4.825 1.00 0.00 ? 1 ALA B H1 1 ATOM 716 H H2 . ALA B 1 1 ? 32.036 -9.034 -6.254 1.00 0.00 ? 1 ALA B H2 1 ATOM 717 H H3 . ALA B 1 1 ? 32.470 -7.978 -4.975 1.00 0.00 ? 1 ALA B H3 1 ATOM 718 H HA . ALA B 1 1 ? 30.151 -8.291 -4.975 1.00 0.00 ? 1 ALA B HA 1 ATOM 719 H HB1 . ALA B 1 1 ? 30.098 -10.421 -6.163 1.00 0.00 ? 1 ALA B HB1 1 ATOM 720 H HB2 . ALA B 1 1 ? 29.172 -10.507 -4.664 1.00 0.00 ? 1 ALA B HB2 1 ATOM 721 H HB3 . ALA B 1 1 ? 30.777 -11.233 -4.752 1.00 0.00 ? 1 ALA B HB3 1 ATOM 722 N N . LEU B 1 2 ? 30.962 -7.840 -2.561 1.00 0.00 ? 2 LEU B N 1 ATOM 723 C CA . LEU B 1 2 ? 31.034 -7.655 -1.116 1.00 0.00 ? 2 LEU B CA 1 ATOM 724 C C . LEU B 1 2 ? 29.835 -6.862 -0.608 1.00 0.00 ? 2 LEU B C 1 ATOM 725 O O . LEU B 1 2 ? 29.139 -7.291 0.312 1.00 0.00 ? 2 LEU B O 1 ATOM 726 C CB . LEU B 1 2 ? 32.332 -6.939 -0.737 1.00 0.00 ? 2 LEU B CB 1 ATOM 727 C CG . LEU B 1 2 ? 33.014 -7.463 0.528 1.00 0.00 ? 2 LEU B CG 1 ATOM 728 C CD1 . LEU B 1 2 ? 33.974 -8.593 0.187 1.00 0.00 ? 2 LEU B CD1 1 ATOM 729 C CD2 . LEU B 1 2 ? 33.745 -6.337 1.243 1.00 0.00 ? 2 LEU B CD2 1 ATOM 730 H H . LEU B 1 2 ? 31.000 -7.054 -3.146 1.00 0.00 ? 2 LEU B H 1 ATOM 731 H HA . LEU B 1 2 ? 31.025 -8.632 -0.657 1.00 0.00 ? 2 LEU B HA 1 ATOM 732 H HB2 . LEU B 1 2 ? 33.024 -7.034 -1.561 1.00 0.00 ? 2 LEU B HB2 1 ATOM 733 H HB3 . LEU B 1 2 ? 32.112 -5.892 -0.592 1.00 0.00 ? 2 LEU B HB3 1 ATOM 734 H HG . LEU B 1 2 ? 32.263 -7.855 1.198 1.00 0.00 ? 2 LEU B HG 1 ATOM 735 H HD11 . LEU B 1 2 ? 33.722 -9.000 -0.781 1.00 0.00 ? 2 LEU B HD11 1 ATOM 736 H HD12 . LEU B 1 2 ? 34.985 -8.212 0.165 1.00 0.00 ? 2 LEU B HD12 1 ATOM 737 H HD13 . LEU B 1 2 ? 33.898 -9.368 0.935 1.00 0.00 ? 2 LEU B HD13 1 ATOM 738 H HD21 . LEU B 1 2 ? 33.980 -5.555 0.537 1.00 0.00 ? 2 LEU B HD21 1 ATOM 739 H HD22 . LEU B 1 2 ? 33.116 -5.939 2.025 1.00 0.00 ? 2 LEU B HD22 1 ATOM 740 H HD23 . LEU B 1 2 ? 34.659 -6.719 1.675 1.00 0.00 ? 2 LEU B HD23 1 ATOM 741 N N . LYS B 1 3 ? 29.599 -5.702 -1.213 1.00 0.00 ? 3 LYS B N 1 ATOM 742 C CA . LYS B 1 3 ? 28.484 -4.848 -0.821 1.00 0.00 ? 3 LYS B CA 1 ATOM 743 C C . LYS B 1 3 ? 27.577 -4.557 -2.013 1.00 0.00 ? 3 LYS B C 1 ATOM 744 O O . LYS B 1 3 ? 26.885 -3.539 -2.045 1.00 0.00 ? 3 LYS B O 1 ATOM 745 C CB . LYS B 1 3 ? 29.002 -3.537 -0.227 1.00 0.00 ? 3 LYS B CB 1 ATOM 746 C CG . LYS B 1 3 ? 28.852 -3.452 1.283 1.00 0.00 ? 3 LYS B CG 1 ATOM 747 C CD . LYS B 1 3 ? 30.202 -3.331 1.971 1.00 0.00 ? 3 LYS B CD 1 ATOM 748 C CE . LYS B 1 3 ? 31.002 -2.159 1.425 1.00 0.00 ? 3 LYS B CE 1 ATOM 749 N NZ . LYS B 1 3 ? 31.703 -1.413 2.506 1.00 0.00 ? 3 LYS B NZ 1 ATOM 750 H H . LYS B 1 3 ? 30.190 -5.413 -1.940 1.00 0.00 ? 3 LYS B H 1 ATOM 751 H HA . LYS B 1 3 ? 27.913 -5.373 -0.070 1.00 0.00 ? 3 LYS B HA 1 ATOM 752 H HB2 . LYS B 1 3 ? 30.049 -3.434 -0.470 1.00 0.00 ? 3 LYS B HB2 1 ATOM 753 H HB3 . LYS B 1 3 ? 28.457 -2.715 -0.668 1.00 0.00 ? 3 LYS B HB3 1 ATOM 754 H HG2 . LYS B 1 3 ? 28.255 -2.586 1.527 1.00 0.00 ? 3 LYS B HG2 1 ATOM 755 H HG3 . LYS B 1 3 ? 28.356 -4.344 1.636 1.00 0.00 ? 3 LYS B HG3 1 ATOM 756 H HD2 . LYS B 1 3 ? 30.044 -3.183 3.029 1.00 0.00 ? 3 LYS B HD2 1 ATOM 757 H HD3 . LYS B 1 3 ? 30.759 -4.242 1.811 1.00 0.00 ? 3 LYS B HD3 1 ATOM 758 H HE2 . LYS B 1 3 ? 31.735 -2.535 0.726 1.00 0.00 ? 3 LYS B HE2 1 ATOM 759 H HE3 . LYS B 1 3 ? 30.329 -1.487 0.913 1.00 0.00 ? 3 LYS B HE3 1 ATOM 760 H HZ1 . LYS B 1 3 ? 32.281 -2.065 3.074 1.00 0.00 ? 3 LYS B HZ1 1 ATOM 761 H HZ2 . LYS B 1 3 ? 32.323 -0.686 2.095 1.00 0.00 ? 3 LYS B HZ2 1 ATOM 762 H HZ3 . LYS B 1 3 ? 31.009 -0.951 3.129 1.00 0.00 ? 3 LYS B HZ3 1 ATOM 763 N N . LYS B 1 4 ? 27.587 -5.456 -2.992 1.00 0.00 ? 4 LYS B N 1 ATOM 764 C CA . LYS B 1 4 ? 26.766 -5.295 -4.186 1.00 0.00 ? 4 LYS B CA 1 ATOM 765 C C . LYS B 1 4 ? 25.364 -5.854 -3.963 1.00 0.00 ? 4 LYS B C 1 ATOM 766 O O . LYS B 1 4 ? 24.406 -5.430 -4.608 1.00 0.00 ? 4 LYS B O 1 ATOM 767 C CB . LYS B 1 4 ? 27.422 -5.993 -5.379 1.00 0.00 ? 4 LYS B CB 1 ATOM 768 C CG . LYS B 1 4 ? 27.451 -7.507 -5.257 1.00 0.00 ? 4 LYS B CG 1 ATOM 769 C CD . LYS B 1 4 ? 26.246 -8.144 -5.930 1.00 0.00 ? 4 LYS B CD 1 ATOM 770 C CE . LYS B 1 4 ? 26.354 -9.660 -5.946 1.00 0.00 ? 4 LYS B CE 1 ATOM 771 N NZ . LYS B 1 4 ? 25.495 -10.267 -7.000 1.00 0.00 ? 4 LYS B NZ 1 ATOM 772 H H . LYS B 1 4 ? 28.160 -6.246 -2.909 1.00 0.00 ? 4 LYS B H 1 ATOM 773 H HA . LYS B 1 4 ? 26.689 -4.239 -4.396 1.00 0.00 ? 4 LYS B HA 1 ATOM 774 H HB2 . LYS B 1 4 ? 26.878 -5.735 -6.276 1.00 0.00 ? 4 LYS B HB2 1 ATOM 775 H HB3 . LYS B 1 4 ? 28.439 -5.641 -5.472 1.00 0.00 ? 4 LYS B HB3 1 ATOM 776 H HG2 . LYS B 1 4 ? 28.350 -7.879 -5.726 1.00 0.00 ? 4 LYS B HG2 1 ATOM 777 H HG3 . LYS B 1 4 ? 27.451 -7.775 -4.210 1.00 0.00 ? 4 LYS B HG3 1 ATOM 778 H HD2 . LYS B 1 4 ? 25.354 -7.863 -5.390 1.00 0.00 ? 4 LYS B HD2 1 ATOM 779 H HD3 . LYS B 1 4 ? 26.183 -7.785 -6.947 1.00 0.00 ? 4 LYS B HD3 1 ATOM 780 H HE2 . LYS B 1 4 ? 27.382 -9.934 -6.131 1.00 0.00 ? 4 LYS B HE2 1 ATOM 781 H HE3 . LYS B 1 4 ? 26.048 -10.040 -4.982 1.00 0.00 ? 4 LYS B HE3 1 ATOM 782 H HZ1 . LYS B 1 4 ? 25.105 -9.525 -7.616 1.00 0.00 ? 4 LYS B HZ1 1 ATOM 783 H HZ2 . LYS B 1 4 ? 26.053 -10.925 -7.581 1.00 0.00 ? 4 LYS B HZ2 1 ATOM 784 H HZ3 . LYS B 1 4 ? 24.707 -10.788 -6.564 1.00 0.00 ? 4 LYS B HZ3 1 ATOM 785 N N . HIS B 1 5 ? 25.253 -6.809 -3.046 1.00 0.00 ? 5 HIS B N 1 ATOM 786 C CA . HIS B 1 5 ? 23.968 -7.427 -2.738 1.00 0.00 ? 5 HIS B CA 1 ATOM 787 C C . HIS B 1 5 ? 22.990 -6.400 -2.176 1.00 0.00 ? 5 HIS B C 1 ATOM 788 O O . HIS B 1 5 ? 21.776 -6.537 -2.328 1.00 0.00 ? 5 HIS B O 1 ATOM 789 C CB . HIS B 1 5 ? 24.155 -8.571 -1.740 1.00 0.00 ? 5 HIS B CB 1 ATOM 790 C CG . HIS B 1 5 ? 25.038 -8.219 -0.584 1.00 0.00 ? 5 HIS B CG 1 ATOM 791 N ND1 . HIS B 1 5 ? 26.176 -8.928 -0.262 1.00 0.00 ? 5 HIS B ND1 1 ATOM 792 C CD2 . HIS B 1 5 ? 24.945 -7.224 0.331 1.00 0.00 ? 5 HIS B CD2 1 ATOM 793 C CE1 . HIS B 1 5 ? 26.745 -8.386 0.801 1.00 0.00 ? 5 HIS B CE1 1 ATOM 794 N NE2 . HIS B 1 5 ? 26.018 -7.351 1.178 1.00 0.00 ? 5 HIS B NE2 1 ATOM 795 H H . HIS B 1 5 ? 26.053 -7.106 -2.564 1.00 0.00 ? 5 HIS B H 1 ATOM 796 H HA . HIS B 1 5 ? 23.564 -7.826 -3.657 1.00 0.00 ? 5 HIS B HA 1 ATOM 797 H HB2 . HIS B 1 5 ? 23.191 -8.857 -1.346 1.00 0.00 ? 5 HIS B HB2 1 ATOM 798 H HB3 . HIS B 1 5 ? 24.594 -9.416 -2.250 1.00 0.00 ? 5 HIS B HB3 1 ATOM 799 H HD1 . HIS B 1 5 ? 26.517 -9.712 -0.741 1.00 0.00 ? 5 HIS B HD1 1 ATOM 800 H HD2 . HIS B 1 5 ? 24.171 -6.471 0.384 1.00 0.00 ? 5 HIS B HD2 1 ATOM 801 H HE1 . HIS B 1 5 ? 27.651 -8.730 1.278 1.00 0.00 ? 5 HIS B HE1 1 ATOM 802 H HE2 . HIS B 1 5 ? 26.215 -6.768 1.942 1.00 0.00 ? 5 HIS B HE2 1 ATOM 803 N N . HIS B 1 6 ? 23.526 -5.373 -1.525 1.00 0.00 ? 6 HIS B N 1 ATOM 804 C CA . HIS B 1 6 ? 22.699 -4.324 -0.941 1.00 0.00 ? 6 HIS B CA 1 ATOM 805 C C . HIS B 1 6 ? 21.876 -3.619 -2.013 1.00 0.00 ? 6 HIS B C 1 ATOM 806 O O . HIS B 1 6 ? 20.719 -3.270 -1.788 1.00 0.00 ? 6 HIS B O 1 ATOM 807 C CB . HIS B 1 6 ? 23.571 -3.309 -0.199 1.00 0.00 ? 6 HIS B CB 1 ATOM 808 C CG . HIS B 1 6 ? 23.344 -3.294 1.281 1.00 0.00 ? 6 HIS B CG 1 ATOM 809 N ND1 . HIS B 1 6 ? 22.840 -4.374 1.977 1.00 0.00 ? 6 HIS B ND1 1 ATOM 810 C CD2 . HIS B 1 6 ? 23.557 -2.323 2.201 1.00 0.00 ? 6 HIS B CD2 1 ATOM 811 C CE1 . HIS B 1 6 ? 22.752 -4.066 3.259 1.00 0.00 ? 6 HIS B CE1 1 ATOM 812 N NE2 . HIS B 1 6 ? 23.181 -2.829 3.420 1.00 0.00 ? 6 HIS B NE2 1 ATOM 813 H H . HIS B 1 6 ? 24.501 -5.319 -1.437 1.00 0.00 ? 6 HIS B H 1 ATOM 814 H HA . HIS B 1 6 ? 22.024 -4.789 -0.237 1.00 0.00 ? 6 HIS B HA 1 ATOM 815 H HB2 . HIS B 1 6 ? 24.610 -3.543 -0.373 1.00 0.00 ? 6 HIS B HB2 1 ATOM 816 H HB3 . HIS B 1 6 ? 23.360 -2.320 -0.578 1.00 0.00 ? 6 HIS B HB3 1 ATOM 817 H HD1 . HIS B 1 6 ? 22.584 -5.236 1.588 1.00 0.00 ? 6 HIS B HD1 1 ATOM 818 H HD2 . HIS B 1 6 ? 23.950 -1.334 2.009 1.00 0.00 ? 6 HIS B HD2 1 ATOM 819 H HE1 . HIS B 1 6 ? 22.391 -4.717 4.042 1.00 0.00 ? 6 HIS B HE1 1 ATOM 820 H HE2 . HIS B 1 6 ? 23.224 -2.350 4.274 1.00 0.00 ? 6 HIS B HE2 1 ATOM 821 N N . GLU B 1 7 ? 22.479 -3.417 -3.180 1.00 0.00 ? 7 GLU B N 1 ATOM 822 C CA . GLU B 1 7 ? 21.797 -2.759 -4.286 1.00 0.00 ? 7 GLU B CA 1 ATOM 823 C C . GLU B 1 7 ? 20.619 -3.599 -4.768 1.00 0.00 ? 7 GLU B C 1 ATOM 824 O O . GLU B 1 7 ? 19.656 -3.075 -5.328 1.00 0.00 ? 7 GLU B O 1 ATOM 825 C CB . GLU B 1 7 ? 22.770 -2.511 -5.440 1.00 0.00 ? 7 GLU B CB 1 ATOM 826 C CG . GLU B 1 7 ? 23.427 -1.141 -5.398 1.00 0.00 ? 7 GLU B CG 1 ATOM 827 C CD . GLU B 1 7 ? 24.152 -0.802 -6.685 1.00 0.00 ? 7 GLU B CD 1 ATOM 828 O OE1 . GLU B 1 7 ? 24.694 -1.729 -7.323 1.00 0.00 ? 7 GLU B OE1 1 ATOM 829 O OE2 . GLU B 1 7 ? 24.178 0.390 -7.056 1.00 0.00 ? 7 GLU B OE2 1 ATOM 830 H H . GLU B 1 7 ? 23.402 -3.720 -3.300 1.00 0.00 ? 7 GLU B H 1 ATOM 831 H HA . GLU B 1 7 ? 21.424 -1.810 -3.929 1.00 0.00 ? 7 GLU B HA 1 ATOM 832 H HB2 . GLU B 1 7 ? 23.547 -3.260 -5.407 1.00 0.00 ? 7 GLU B HB2 1 ATOM 833 H HB3 . GLU B 1 7 ? 22.234 -2.601 -6.373 1.00 0.00 ? 7 GLU B HB3 1 ATOM 834 H HG2 . GLU B 1 7 ? 22.665 -0.395 -5.225 1.00 0.00 ? 7 GLU B HG2 1 ATOM 835 H HG3 . GLU B 1 7 ? 24.138 -1.122 -4.585 1.00 0.00 ? 7 GLU B HG3 1 ATOM 836 N N . ASN B 1 8 ? 20.702 -4.907 -4.542 1.00 0.00 ? 8 ASN B N 1 ATOM 837 C CA . ASN B 1 8 ? 19.641 -5.821 -4.948 1.00 0.00 ? 8 ASN B CA 1 ATOM 838 C C . ASN B 1 8 ? 18.422 -5.657 -4.049 1.00 0.00 ? 8 ASN B C 1 ATOM 839 O O . ASN B 1 8 ? 17.317 -5.395 -4.525 1.00 0.00 ? 8 ASN B O 1 ATOM 840 C CB . ASN B 1 8 ? 20.137 -7.268 -4.900 1.00 0.00 ? 8 ASN B CB 1 ATOM 841 C CG . ASN B 1 8 ? 19.917 -7.998 -6.210 1.00 0.00 ? 8 ASN B CG 1 ATOM 842 O OD1 . ASN B 1 8 ? 19.453 -7.414 -7.190 1.00 0.00 ? 8 ASN B OD1 1 ATOM 843 N ND2 . ASN B 1 8 ? 20.249 -9.283 -6.235 1.00 0.00 ? 8 ASN B ND2 1 ATOM 844 H H . ASN B 1 8 ? 21.493 -5.265 -4.088 1.00 0.00 ? 8 ASN B H 1 ATOM 845 H HA . ASN B 1 8 ? 19.362 -5.577 -5.962 1.00 0.00 ? 8 ASN B HA 1 ATOM 846 H HB2 . ASN B 1 8 ? 21.194 -7.273 -4.681 1.00 0.00 ? 8 ASN B HB2 1 ATOM 847 H HB3 . ASN B 1 8 ? 19.609 -7.797 -4.121 1.00 0.00 ? 8 ASN B HB3 1 ATOM 848 H HD21 . ASN B 1 8 ? 20.613 -9.683 -5.417 1.00 0.00 ? 8 ASN B HD21 1 ATOM 849 H HD22 . ASN B 1 8 ? 20.117 -9.780 -7.069 1.00 0.00 ? 8 ASN B HD22 1 ATOM 850 N N . GLU B 1 9 ? 18.631 -5.803 -2.745 1.00 0.00 ? 9 GLU B N 1 ATOM 851 C CA . GLU B 1 9 ? 17.548 -5.659 -1.780 1.00 0.00 ? 9 GLU B CA 1 ATOM 852 C C . GLU B 1 9 ? 16.983 -4.242 -1.818 1.00 0.00 ? 9 GLU B C 1 ATOM 853 O O . GLU B 1 9 ? 15.834 -4.010 -1.442 1.00 0.00 ? 9 GLU B O 1 ATOM 854 C CB . GLU B 1 9 ? 18.045 -5.987 -0.370 1.00 0.00 ? 9 GLU B CB 1 ATOM 855 C CG . GLU B 1 9 ? 17.404 -7.228 0.227 1.00 0.00 ? 9 GLU B CG 1 ATOM 856 C CD . GLU B 1 9 ? 17.485 -7.255 1.741 1.00 0.00 ? 9 GLU B CD 1 ATOM 857 O OE1 . GLU B 1 9 ? 18.583 -7.003 2.281 1.00 0.00 ? 9 GLU B OE1 1 ATOM 858 O OE2 . GLU B 1 9 ? 16.451 -7.526 2.387 1.00 0.00 ? 9 GLU B OE2 1 ATOM 859 H H . GLU B 1 9 ? 19.536 -6.004 -2.423 1.00 0.00 ? 9 GLU B H 1 ATOM 860 H HA . GLU B 1 9 ? 16.768 -6.355 -2.050 1.00 0.00 ? 9 GLU B HA 1 ATOM 861 H HB2 . GLU B 1 9 ? 19.113 -6.141 -0.404 1.00 0.00 ? 9 GLU B HB2 1 ATOM 862 H HB3 . GLU B 1 9 ? 17.831 -5.150 0.278 1.00 0.00 ? 9 GLU B HB3 1 ATOM 863 H HG2 . GLU B 1 9 ? 16.364 -7.256 -0.062 1.00 0.00 ? 9 GLU B HG2 1 ATOM 864 H HG3 . GLU B 1 9 ? 17.908 -8.101 -0.161 1.00 0.00 ? 9 GLU B HG3 1 ATOM 865 N N . ILE B 1 10 ? 17.801 -3.299 -2.277 1.00 0.00 ? 10 ILE B N 1 ATOM 866 C CA . ILE B 1 10 ? 17.392 -1.905 -2.370 1.00 0.00 ? 10 ILE B CA 1 ATOM 867 C C . ILE B 1 10 ? 16.412 -1.713 -3.533 1.00 0.00 ? 10 ILE B C 1 ATOM 868 O O . ILE B 1 10 ? 15.387 -1.046 -3.390 1.00 0.00 ? 10 ILE B O 1 ATOM 869 C CB . ILE B 1 10 ? 18.652 -0.979 -2.491 1.00 0.00 ? 10 ILE B CB 1 ATOM 870 C CG1 . ILE B 1 10 ? 18.803 -0.140 -1.222 1.00 0.00 ? 10 ILE B CG1 1 ATOM 871 C CG2 . ILE B 1 10 ? 18.639 -0.068 -3.722 1.00 0.00 ? 10 ILE B CG2 1 ATOM 872 C CD1 . ILE B 1 10 ? 20.180 -0.232 -0.601 1.00 0.00 ? 10 ILE B CD1 1 ATOM 873 H H . ILE B 1 10 ? 18.703 -3.548 -2.563 1.00 0.00 ? 10 ILE B H 1 ATOM 874 H HA . ILE B 1 10 ? 16.882 -1.657 -1.450 1.00 0.00 ? 10 ILE B HA 1 ATOM 875 H HB . ILE B 1 10 ? 19.516 -1.619 -2.575 1.00 0.00 ? 10 ILE B HB 1 ATOM 876 H HG12 . ILE B 1 10 ? 18.615 0.896 -1.458 1.00 0.00 ? 10 ILE B HG12 1 ATOM 877 H HG13 . ILE B 1 10 ? 18.085 -0.475 -0.488 1.00 0.00 ? 10 ILE B HG13 1 ATOM 878 H HG21 . ILE B 1 10 ? 17.648 0.337 -3.864 1.00 0.00 ? 10 ILE B HG21 1 ATOM 879 H HG22 . ILE B 1 10 ? 19.339 0.740 -3.577 1.00 0.00 ? 10 ILE B HG22 1 ATOM 880 H HG23 . ILE B 1 10 ? 18.924 -0.638 -4.594 1.00 0.00 ? 10 ILE B HG23 1 ATOM 881 H HD11 . ILE B 1 10 ? 20.860 -0.696 -1.301 1.00 0.00 ? 10 ILE B HD11 1 ATOM 882 H HD12 . ILE B 1 10 ? 20.534 0.759 -0.360 1.00 0.00 ? 10 ILE B HD12 1 ATOM 883 H HD13 . ILE B 1 10 ? 20.131 -0.827 0.299 1.00 0.00 ? 10 ILE B HD13 1 ATOM 884 N N . SER B 1 11 ? 16.736 -2.305 -4.677 1.00 0.00 ? 11 SER B N 1 ATOM 885 C CA . SER B 1 11 ? 15.888 -2.200 -5.858 1.00 0.00 ? 11 SER B CA 1 ATOM 886 C C . SER B 1 11 ? 14.531 -2.850 -5.610 1.00 0.00 ? 11 SER B C 1 ATOM 887 O O . SER B 1 11 ? 13.515 -2.419 -6.159 1.00 0.00 ? 11 SER B O 1 ATOM 888 C CB . SER B 1 11 ? 16.569 -2.854 -7.061 1.00 0.00 ? 11 SER B CB 1 ATOM 889 O OG . SER B 1 11 ? 16.337 -4.252 -7.080 1.00 0.00 ? 11 SER B OG 1 ATOM 890 H H . SER B 1 11 ? 17.566 -2.825 -4.729 1.00 0.00 ? 11 SER B H 1 ATOM 891 H HA . SER B 1 11 ? 15.739 -1.151 -6.066 1.00 0.00 ? 11 SER B HA 1 ATOM 892 H HB2 . SER B 1 11 ? 16.177 -2.425 -7.971 1.00 0.00 ? 11 SER B HB2 1 ATOM 893 H HB3 . SER B 1 11 ? 17.633 -2.678 -7.010 1.00 0.00 ? 11 SER B HB3 1 ATOM 894 H HG . SER B 1 11 ? 17.162 -4.711 -7.258 1.00 0.00 ? 11 SER B HG 1 ATOM 895 N N . HIS B 1 12 ? 14.519 -3.889 -4.781 1.00 0.00 ? 12 HIS B N 1 ATOM 896 C CA . HIS B 1 12 ? 13.286 -4.595 -4.464 1.00 0.00 ? 12 HIS B CA 1 ATOM 897 C C . HIS B 1 12 ? 12.394 -3.733 -3.564 1.00 0.00 ? 12 HIS B C 1 ATOM 898 O O . HIS B 1 12 ? 11.188 -3.632 -3.789 1.00 0.00 ? 12 HIS B O 1 ATOM 899 C CB . HIS B 1 12 ? 13.622 -5.971 -3.839 1.00 0.00 ? 12 HIS B CB 1 ATOM 900 C CG . HIS B 1 12 ? 12.951 -6.284 -2.531 1.00 0.00 ? 12 HIS B CG 1 ATOM 901 N ND1 . HIS B 1 12 ? 11.603 -6.556 -2.418 1.00 0.00 ? 12 HIS B ND1 1 ATOM 902 C CD2 . HIS B 1 12 ? 13.457 -6.372 -1.280 1.00 0.00 ? 12 HIS B CD2 1 ATOM 903 C CE1 . HIS B 1 12 ? 11.309 -6.796 -1.153 1.00 0.00 ? 12 HIS B CE1 1 ATOM 904 N NE2 . HIS B 1 12 ? 12.417 -6.692 -0.443 1.00 0.00 ? 12 HIS B NE2 1 ATOM 905 H H . HIS B 1 12 ? 15.359 -4.187 -4.372 1.00 0.00 ? 12 HIS B H 1 ATOM 906 H HA . HIS B 1 12 ? 12.764 -4.758 -5.396 1.00 0.00 ? 12 HIS B HA 1 ATOM 907 H HB2 . HIS B 1 12 ? 13.339 -6.743 -4.536 1.00 0.00 ? 12 HIS B HB2 1 ATOM 908 H HB3 . HIS B 1 12 ? 14.690 -6.024 -3.680 1.00 0.00 ? 12 HIS B HB3 1 ATOM 909 H HD1 . HIS B 1 12 ? 10.958 -6.569 -3.156 1.00 0.00 ? 12 HIS B HD1 1 ATOM 910 H HD2 . HIS B 1 12 ? 14.487 -6.215 -0.995 1.00 0.00 ? 12 HIS B HD2 1 ATOM 911 H HE1 . HIS B 1 12 ? 10.330 -7.038 -0.766 1.00 0.00 ? 12 HIS B HE1 1 ATOM 912 H HE2 . HIS B 1 12 ? 12.483 -6.822 0.527 1.00 0.00 ? 12 HIS B HE2 1 ATOM 913 N N . HIS B 1 13 ? 12.994 -3.104 -2.555 1.00 0.00 ? 13 HIS B N 1 ATOM 914 C CA . HIS B 1 13 ? 12.239 -2.248 -1.647 1.00 0.00 ? 13 HIS B CA 1 ATOM 915 C C . HIS B 1 13 ? 11.643 -1.069 -2.406 1.00 0.00 ? 13 HIS B C 1 ATOM 916 O O . HIS B 1 13 ? 10.617 -0.519 -2.011 1.00 0.00 ? 13 HIS B O 1 ATOM 917 C CB . HIS B 1 13 ? 13.124 -1.727 -0.514 1.00 0.00 ? 13 HIS B CB 1 ATOM 918 C CG . HIS B 1 13 ? 13.920 -2.785 0.180 1.00 0.00 ? 13 HIS B CG 1 ATOM 919 N ND1 . HIS B 1 13 ? 13.494 -4.089 0.313 1.00 0.00 ? 13 HIS B ND1 1 ATOM 920 C CD2 . HIS B 1 13 ? 15.125 -2.718 0.790 1.00 0.00 ? 13 HIS B CD2 1 ATOM 921 C CE1 . HIS B 1 13 ? 14.405 -4.780 0.977 1.00 0.00 ? 13 HIS B CE1 1 ATOM 922 N NE2 . HIS B 1 13 ? 15.403 -3.971 1.277 1.00 0.00 ? 13 HIS B NE2 1 ATOM 923 H H . HIS B 1 13 ? 13.959 -3.211 -2.426 1.00 0.00 ? 13 HIS B H 1 ATOM 924 H HA . HIS B 1 13 ? 11.435 -2.835 -1.227 1.00 0.00 ? 13 HIS B HA 1 ATOM 925 H HB2 . HIS B 1 13 ? 13.817 -1.003 -0.913 1.00 0.00 ? 13 HIS B HB2 1 ATOM 926 H HB3 . HIS B 1 13 ? 12.499 -1.247 0.225 1.00 0.00 ? 13 HIS B HB3 1 ATOM 927 H HD1 . HIS B 1 13 ? 12.649 -4.452 -0.025 1.00 0.00 ? 13 HIS B HD1 1 ATOM 928 H HD2 . HIS B 1 13 ? 15.747 -1.839 0.881 1.00 0.00 ? 13 HIS B HD2 1 ATOM 929 H HE1 . HIS B 1 13 ? 14.342 -5.828 1.230 1.00 0.00 ? 13 HIS B HE1 1 ATOM 930 H HE2 . HIS B 1 13 ? 16.212 -4.227 1.768 1.00 0.00 ? 13 HIS B HE2 1 ATOM 931 N N . ALA B 1 14 ? 12.299 -0.685 -3.498 1.00 0.00 ? 14 ALA B N 1 ATOM 932 C CA . ALA B 1 14 ? 11.836 0.429 -4.314 1.00 0.00 ? 14 ALA B CA 1 ATOM 933 C C . ALA B 1 14 ? 10.537 0.069 -5.018 1.00 0.00 ? 14 ALA B C 1 ATOM 934 O O . ALA B 1 14 ? 9.533 0.767 -4.884 1.00 0.00 ? 14 ALA B O 1 ATOM 935 C CB . ALA B 1 14 ? 12.900 0.823 -5.328 1.00 0.00 ? 14 ALA B CB 1 ATOM 936 H H . ALA B 1 14 ? 13.114 -1.163 -3.760 1.00 0.00 ? 14 ALA B H 1 ATOM 937 H HA . ALA B 1 14 ? 11.660 1.272 -3.662 1.00 0.00 ? 14 ALA B HA 1 ATOM 938 H HB1 . ALA B 1 14 ? 13.269 -0.062 -5.825 1.00 0.00 ? 14 ALA B HB1 1 ATOM 939 H HB2 . ALA B 1 14 ? 13.716 1.316 -4.820 1.00 0.00 ? 14 ALA B HB2 1 ATOM 940 H HB3 . ALA B 1 14 ? 12.472 1.494 -6.057 1.00 0.00 ? 14 ALA B HB3 1 ATOM 941 N N . LYS B 1 15 ? 10.560 -1.034 -5.755 1.00 0.00 ? 15 LYS B N 1 ATOM 942 C CA . LYS B 1 15 ? 9.376 -1.495 -6.465 1.00 0.00 ? 15 LYS B CA 1 ATOM 943 C C . LYS B 1 15 ? 8.294 -1.942 -5.481 1.00 0.00 ? 15 LYS B C 1 ATOM 944 O O . LYS B 1 15 ? 7.139 -2.126 -5.861 1.00 0.00 ? 15 LYS B O 1 ATOM 945 C CB . LYS B 1 15 ? 9.735 -2.647 -7.405 1.00 0.00 ? 15 LYS B CB 1 ATOM 946 C CG . LYS B 1 15 ? 10.536 -2.212 -8.621 1.00 0.00 ? 15 LYS B CG 1 ATOM 947 C CD . LYS B 1 15 ? 9.995 -2.837 -9.897 1.00 0.00 ? 15 LYS B CD 1 ATOM 948 C CE . LYS B 1 15 ? 11.118 -3.238 -10.840 1.00 0.00 ? 15 LYS B CE 1 ATOM 949 N NZ . LYS B 1 15 ? 11.961 -2.074 -11.228 1.00 0.00 ? 15 LYS B NZ 1 ATOM 950 H H . LYS B 1 15 ? 11.389 -1.556 -5.814 1.00 0.00 ? 15 LYS B H 1 ATOM 951 H HA . LYS B 1 15 ? 8.997 -0.670 -7.048 1.00 0.00 ? 15 LYS B HA 1 ATOM 952 H HB2 . LYS B 1 15 ? 10.317 -3.375 -6.859 1.00 0.00 ? 15 LYS B HB2 1 ATOM 953 H HB3 . LYS B 1 15 ? 8.823 -3.113 -7.749 1.00 0.00 ? 15 LYS B HB3 1 ATOM 954 H HG2 . LYS B 1 15 ? 10.484 -1.137 -8.709 1.00 0.00 ? 15 LYS B HG2 1 ATOM 955 H HG3 . LYS B 1 15 ? 11.564 -2.516 -8.490 1.00 0.00 ? 15 LYS B HG3 1 ATOM 956 H HD2 . LYS B 1 15 ? 9.422 -3.715 -9.642 1.00 0.00 ? 15 LYS B HD2 1 ATOM 957 H HD3 . LYS B 1 15 ? 9.358 -2.121 -10.395 1.00 0.00 ? 15 LYS B HD3 1 ATOM 958 H HE2 . LYS B 1 15 ? 11.739 -3.972 -10.348 1.00 0.00 ? 15 LYS B HE2 1 ATOM 959 H HE3 . LYS B 1 15 ? 10.686 -3.672 -11.730 1.00 0.00 ? 15 LYS B HE3 1 ATOM 960 H HZ1 . LYS B 1 15 ? 11.501 -1.187 -10.940 1.00 0.00 ? 15 LYS B HZ1 1 ATOM 961 H HZ2 . LYS B 1 15 ? 12.890 -2.135 -10.766 1.00 0.00 ? 15 LYS B HZ2 1 ATOM 962 H HZ3 . LYS B 1 15 ? 12.098 -2.060 -12.259 1.00 0.00 ? 15 LYS B HZ3 1 ATOM 963 N N . GLU B 1 16 ? 8.675 -2.119 -4.214 1.00 0.00 ? 16 GLU B N 1 ATOM 964 C CA . GLU B 1 16 ? 7.732 -2.546 -3.188 1.00 0.00 ? 16 GLU B CA 1 ATOM 965 C C . GLU B 1 16 ? 6.972 -1.359 -2.608 1.00 0.00 ? 16 GLU B C 1 ATOM 966 O O . GLU B 1 16 ? 5.787 -1.469 -2.297 1.00 0.00 ? 16 GLU B O 1 ATOM 967 C CB . GLU B 1 16 ? 8.464 -3.294 -2.072 1.00 0.00 ? 16 GLU B CB 1 ATOM 968 C CG . GLU B 1 16 ? 8.325 -4.805 -2.160 1.00 0.00 ? 16 GLU B CG 1 ATOM 969 C CD . GLU B 1 16 ? 6.926 -5.283 -1.822 1.00 0.00 ? 16 GLU B CD 1 ATOM 970 O OE1 . GLU B 1 16 ? 6.031 -5.156 -2.684 1.00 0.00 ? 16 GLU B OE1 1 ATOM 971 O OE2 . GLU B 1 16 ? 6.725 -5.782 -0.695 1.00 0.00 ? 16 GLU B OE2 1 ATOM 972 H H . GLU B 1 16 ? 9.608 -1.963 -3.963 1.00 0.00 ? 16 GLU B H 1 ATOM 973 H HA . GLU B 1 16 ? 7.024 -3.215 -3.652 1.00 0.00 ? 16 GLU B HA 1 ATOM 974 H HB2 . GLU B 1 16 ? 9.514 -3.048 -2.117 1.00 0.00 ? 16 GLU B HB2 1 ATOM 975 H HB3 . GLU B 1 16 ? 8.069 -2.973 -1.120 1.00 0.00 ? 16 GLU B HB3 1 ATOM 976 H HG2 . GLU B 1 16 ? 8.561 -5.118 -3.166 1.00 0.00 ? 16 GLU B HG2 1 ATOM 977 H HG3 . GLU B 1 16 ? 9.021 -5.259 -1.470 1.00 0.00 ? 16 GLU B HG3 1 ATOM 978 N N . ILE B 1 17 ? 7.650 -0.222 -2.466 1.00 0.00 ? 17 ILE B N 1 ATOM 979 C CA . ILE B 1 17 ? 7.010 0.973 -1.928 1.00 0.00 ? 17 ILE B CA 1 ATOM 980 C C . ILE B 1 17 ? 6.160 1.648 -2.997 1.00 0.00 ? 17 ILE B C 1 ATOM 981 O O . ILE B 1 17 ? 5.129 2.252 -2.697 1.00 0.00 ? 17 ILE B O 1 ATOM 982 C CB . ILE B 1 17 ? 8.049 1.974 -1.379 1.00 0.00 ? 17 ILE B CB 1 ATOM 983 C CG1 . ILE B 1 17 ? 7.356 3.241 -0.857 1.00 0.00 ? 17 ILE B CG1 1 ATOM 984 C CG2 . ILE B 1 17 ? 9.083 2.310 -2.445 1.00 0.00 ? 17 ILE B CG2 1 ATOM 985 C CD1 . ILE B 1 17 ? 6.977 4.235 -1.938 1.00 0.00 ? 17 ILE B CD1 1 ATOM 986 H H . ILE B 1 17 ? 8.596 -0.185 -2.733 1.00 0.00 ? 17 ILE B H 1 ATOM 987 H HA . ILE B 1 17 ? 6.366 0.670 -1.114 1.00 0.00 ? 17 ILE B HA 1 ATOM 988 H HB . ILE B 1 17 ? 8.565 1.497 -0.558 1.00 0.00 ? 17 ILE B HB 1 ATOM 989 H HG12 . ILE B 1 17 ? 6.452 2.960 -0.340 1.00 0.00 ? 17 ILE B HG12 1 ATOM 990 H HG13 . ILE B 1 17 ? 8.018 3.742 -0.165 1.00 0.00 ? 17 ILE B HG13 1 ATOM 991 H HG21 . ILE B 1 17 ? 8.659 2.143 -3.424 1.00 0.00 ? 17 ILE B HG21 1 ATOM 992 H HG22 . ILE B 1 17 ? 9.373 3.346 -2.350 1.00 0.00 ? 17 ILE B HG22 1 ATOM 993 H HG23 . ILE B 1 17 ? 9.951 1.681 -2.316 1.00 0.00 ? 17 ILE B HG23 1 ATOM 994 H HD11 . ILE B 1 17 ? 7.237 3.832 -2.906 1.00 0.00 ? 17 ILE B HD11 1 ATOM 995 H HD12 . ILE B 1 17 ? 5.914 4.420 -1.900 1.00 0.00 ? 17 ILE B HD12 1 ATOM 996 H HD13 . ILE B 1 17 ? 7.509 5.161 -1.779 1.00 0.00 ? 17 ILE B HD13 1 ATOM 997 N N . GLU B 1 18 ? 6.592 1.528 -4.247 1.00 0.00 ? 18 GLU B N 1 ATOM 998 C CA . GLU B 1 18 ? 5.864 2.113 -5.364 1.00 0.00 ? 18 GLU B CA 1 ATOM 999 C C . GLU B 1 18 ? 4.703 1.214 -5.770 1.00 0.00 ? 18 GLU B C 1 ATOM 1000 O O . GLU B 1 18 ? 3.614 1.692 -6.089 1.00 0.00 ? 18 GLU B O 1 ATOM 1001 C CB . GLU B 1 18 ? 6.800 2.332 -6.555 1.00 0.00 ? 18 GLU B CB 1 ATOM 1002 C CG . GLU B 1 18 ? 7.167 3.789 -6.781 1.00 0.00 ? 18 GLU B CG 1 ATOM 1003 C CD . GLU B 1 18 ? 7.392 4.113 -8.245 1.00 0.00 ? 18 GLU B CD 1 ATOM 1004 O OE1 . GLU B 1 18 ? 7.544 3.166 -9.046 1.00 0.00 ? 18 GLU B OE1 1 ATOM 1005 O OE2 . GLU B 1 18 ? 7.417 5.313 -8.591 1.00 0.00 ? 18 GLU B OE2 1 ATOM 1006 H H . GLU B 1 18 ? 7.414 1.025 -4.423 1.00 0.00 ? 18 GLU B H 1 ATOM 1007 H HA . GLU B 1 18 ? 5.472 3.067 -5.043 1.00 0.00 ? 18 GLU B HA 1 ATOM 1008 H HB2 . GLU B 1 18 ? 7.711 1.775 -6.389 1.00 0.00 ? 18 GLU B HB2 1 ATOM 1009 H HB3 . GLU B 1 18 ? 6.319 1.961 -7.448 1.00 0.00 ? 18 GLU B HB3 1 ATOM 1010 H HG2 . GLU B 1 18 ? 6.365 4.410 -6.411 1.00 0.00 ? 18 GLU B HG2 1 ATOM 1011 H HG3 . GLU B 1 18 ? 8.073 4.008 -6.235 1.00 0.00 ? 18 GLU B HG3 1 ATOM 1012 N N . ARG B 1 19 ? 4.940 -0.095 -5.744 1.00 0.00 ? 19 ARG B N 1 ATOM 1013 C CA . ARG B 1 19 ? 3.909 -1.060 -6.099 1.00 0.00 ? 19 ARG B CA 1 ATOM 1014 C C . ARG B 1 19 ? 2.879 -1.168 -4.984 1.00 0.00 ? 19 ARG B C 1 ATOM 1015 O O . ARG B 1 19 ? 1.709 -1.461 -5.230 1.00 0.00 ? 19 ARG B O 1 ATOM 1016 C CB . ARG B 1 19 ? 4.531 -2.431 -6.375 1.00 0.00 ? 19 ARG B CB 1 ATOM 1017 C CG . ARG B 1 19 ? 3.545 -3.445 -6.931 1.00 0.00 ? 19 ARG B CG 1 ATOM 1018 C CD . ARG B 1 19 ? 4.200 -4.800 -7.144 1.00 0.00 ? 19 ARG B CD 1 ATOM 1019 N NE . ARG B 1 19 ? 3.917 -5.722 -6.047 1.00 0.00 ? 19 ARG B NE 1 ATOM 1020 C CZ . ARG B 1 19 ? 4.167 -7.026 -6.099 1.00 0.00 ? 19 ARG B CZ 1 ATOM 1021 N NH1 . ARG B 1 19 ? 4.704 -7.557 -7.189 1.00 0.00 ? 19 ARG B NH1 1 ATOM 1022 N NH2 . ARG B 1 19 ? 3.882 -7.800 -5.061 1.00 0.00 ? 19 ARG B NH2 1 ATOM 1023 H H . ARG B 1 19 ? 5.826 -0.419 -5.472 1.00 0.00 ? 19 ARG B H 1 ATOM 1024 H HA . ARG B 1 19 ? 3.418 -0.708 -6.994 1.00 0.00 ? 19 ARG B HA 1 ATOM 1025 H HB2 . ARG B 1 19 ? 5.334 -2.313 -7.087 1.00 0.00 ? 19 ARG B HB2 1 ATOM 1026 H HB3 . ARG B 1 19 ? 4.934 -2.822 -5.452 1.00 0.00 ? 19 ARG B HB3 1 ATOM 1027 H HG2 . ARG B 1 19 ? 2.727 -3.557 -6.236 1.00 0.00 ? 19 ARG B HG2 1 ATOM 1028 H HG3 . ARG B 1 19 ? 3.169 -3.084 -7.878 1.00 0.00 ? 19 ARG B HG3 1 ATOM 1029 H HD2 . ARG B 1 19 ? 3.827 -5.225 -8.064 1.00 0.00 ? 19 ARG B HD2 1 ATOM 1030 H HD3 . ARG B 1 19 ? 5.268 -4.661 -7.218 1.00 0.00 ? 19 ARG B HD3 1 ATOM 1031 H HE . ARG B 1 19 ? 3.520 -5.350 -5.232 1.00 0.00 ? 19 ARG B HE 1 ATOM 1032 H HH11 . ARG B 1 19 ? 4.920 -6.977 -7.974 1.00 0.00 ? 19 ARG B HH11 1 ATOM 1033 H HH12 . ARG B 1 19 ? 4.892 -8.539 -7.226 1.00 0.00 ? 19 ARG B HH12 1 ATOM 1034 H HH21 . ARG B 1 19 ? 3.478 -7.402 -4.237 1.00 0.00 ? 19 ARG B HH21 1 ATOM 1035 H HH22 . ARG B 1 19 ? 4.071 -8.781 -5.101 1.00 0.00 ? 19 ARG B HH22 1 ATOM 1036 N N . LEU B 1 20 ? 3.321 -0.915 -3.756 1.00 0.00 ? 20 LEU B N 1 ATOM 1037 C CA . LEU B 1 20 ? 2.434 -0.971 -2.606 1.00 0.00 ? 20 LEU B CA 1 ATOM 1038 C C . LEU B 1 20 ? 1.499 0.229 -2.608 1.00 0.00 ? 20 LEU B C 1 ATOM 1039 O O . LEU B 1 20 ? 0.310 0.102 -2.323 1.00 0.00 ? 20 LEU B O 1 ATOM 1040 C CB . LEU B 1 20 ? 3.241 -1.007 -1.307 1.00 0.00 ? 20 LEU B CB 1 ATOM 1041 C CG . LEU B 1 20 ? 3.717 -2.396 -0.879 1.00 0.00 ? 20 LEU B CG 1 ATOM 1042 C CD1 . LEU B 1 20 ? 4.877 -2.285 0.099 1.00 0.00 ? 20 LEU B CD1 1 ATOM 1043 C CD2 . LEU B 1 20 ? 2.572 -3.185 -0.262 1.00 0.00 ? 20 LEU B CD2 1 ATOM 1044 H H . LEU B 1 20 ? 4.262 -0.675 -3.623 1.00 0.00 ? 20 LEU B H 1 ATOM 1045 H HA . LEU B 1 20 ? 1.845 -1.873 -2.682 1.00 0.00 ? 20 LEU B HA 1 ATOM 1046 H HB2 . LEU B 1 20 ? 4.107 -0.373 -1.428 1.00 0.00 ? 20 LEU B HB2 1 ATOM 1047 H HB3 . LEU B 1 20 ? 2.628 -0.603 -0.515 1.00 0.00 ? 20 LEU B HB3 1 ATOM 1048 H HG . LEU B 1 20 ? 4.065 -2.934 -1.749 1.00 0.00 ? 20 LEU B HG 1 ATOM 1049 H HD11 . LEU B 1 20 ? 5.197 -1.256 0.162 1.00 0.00 ? 20 LEU B HD11 1 ATOM 1050 H HD12 . LEU B 1 20 ? 4.560 -2.624 1.074 1.00 0.00 ? 20 LEU B HD12 1 ATOM 1051 H HD13 . LEU B 1 20 ? 5.698 -2.897 -0.245 1.00 0.00 ? 20 LEU B HD13 1 ATOM 1052 H HD21 . LEU B 1 20 ? 1.810 -2.502 0.085 1.00 0.00 ? 20 LEU B HD21 1 ATOM 1053 H HD22 . LEU B 1 20 ? 2.150 -3.847 -1.004 1.00 0.00 ? 20 LEU B HD22 1 ATOM 1054 H HD23 . LEU B 1 20 ? 2.941 -3.765 0.570 1.00 0.00 ? 20 LEU B HD23 1 ATOM 1055 N N . GLN B 1 21 ? 2.048 1.396 -2.937 1.00 0.00 ? 21 GLN B N 1 ATOM 1056 C CA . GLN B 1 21 ? 1.263 2.623 -2.983 1.00 0.00 ? 21 GLN B CA 1 ATOM 1057 C C . GLN B 1 21 ? 0.158 2.516 -4.028 1.00 0.00 ? 21 GLN B C 1 ATOM 1058 O O . GLN B 1 21 ? -0.979 2.919 -3.787 1.00 0.00 ? 21 GLN B O 1 ATOM 1059 C CB . GLN B 1 21 ? 2.164 3.819 -3.295 1.00 0.00 ? 21 GLN B CB 1 ATOM 1060 C CG . GLN B 1 21 ? 1.541 5.159 -2.939 1.00 0.00 ? 21 GLN B CG 1 ATOM 1061 C CD . GLN B 1 21 ? 2.508 6.079 -2.222 1.00 0.00 ? 21 GLN B CD 1 ATOM 1062 O OE1 . GLN B 1 21 ? 2.196 6.624 -1.163 1.00 0.00 ? 21 GLN B OE1 1 ATOM 1063 N NE2 . GLN B 1 21 ? 3.692 6.258 -2.796 1.00 0.00 ? 21 GLN B NE2 1 ATOM 1064 H H . GLN B 1 21 ? 3.004 1.431 -3.157 1.00 0.00 ? 21 GLN B H 1 ATOM 1065 H HA . GLN B 1 21 ? 0.813 2.765 -2.012 1.00 0.00 ? 21 GLN B HA 1 ATOM 1066 H HB2 . GLN B 1 21 ? 3.085 3.716 -2.741 1.00 0.00 ? 21 GLN B HB2 1 ATOM 1067 H HB3 . GLN B 1 21 ? 2.388 3.820 -4.352 1.00 0.00 ? 21 GLN B HB3 1 ATOM 1068 H HG2 . GLN B 1 21 ? 1.215 5.643 -3.848 1.00 0.00 ? 21 GLN B HG2 1 ATOM 1069 H HG3 . GLN B 1 21 ? 0.688 4.986 -2.299 1.00 0.00 ? 21 GLN B HG3 1 ATOM 1070 H HE21 . GLN B 1 21 ? 3.872 5.792 -3.640 1.00 0.00 ? 21 GLN B HE21 1 ATOM 1071 H HE22 . GLN B 1 21 ? 4.337 6.848 -2.354 1.00 0.00 ? 21 GLN B HE22 1 ATOM 1072 N N . LYS B 1 22 ? 0.498 1.966 -5.189 1.00 0.00 ? 22 LYS B N 1 ATOM 1073 C CA . LYS B 1 22 ? -0.472 1.806 -6.266 1.00 0.00 ? 22 LYS B CA 1 ATOM 1074 C C . LYS B 1 22 ? -1.583 0.845 -5.854 1.00 0.00 ? 22 LYS B C 1 ATOM 1075 O O . LYS B 1 22 ? -2.749 1.043 -6.196 1.00 0.00 ? 22 LYS B O 1 ATOM 1076 C CB . LYS B 1 22 ? 0.220 1.293 -7.531 1.00 0.00 ? 22 LYS B CB 1 ATOM 1077 C CG . LYS B 1 22 ? -0.678 1.295 -8.758 1.00 0.00 ? 22 LYS B CG 1 ATOM 1078 C CD . LYS B 1 22 ? -0.381 0.113 -9.666 1.00 0.00 ? 22 LYS B CD 1 ATOM 1079 C CE . LYS B 1 22 ? -0.588 -1.209 -8.945 1.00 0.00 ? 22 LYS B CE 1 ATOM 1080 N NZ . LYS B 1 22 ? -1.109 -2.264 -9.857 1.00 0.00 ? 22 LYS B NZ 1 ATOM 1081 H H . LYS B 1 22 ? 1.421 1.660 -5.325 1.00 0.00 ? 22 LYS B H 1 ATOM 1082 H HA . LYS B 1 22 ? -0.905 2.773 -6.470 1.00 0.00 ? 22 LYS B HA 1 ATOM 1083 H HB2 . LYS B 1 22 ? 1.076 1.918 -7.738 1.00 0.00 ? 22 LYS B HB2 1 ATOM 1084 H HB3 . LYS B 1 22 ? 0.556 0.282 -7.359 1.00 0.00 ? 22 LYS B HB3 1 ATOM 1085 H HG2 . LYS B 1 22 ? -1.708 1.241 -8.439 1.00 0.00 ? 22 LYS B HG2 1 ATOM 1086 H HG3 . LYS B 1 22 ? -0.516 2.210 -9.309 1.00 0.00 ? 22 LYS B HG3 1 ATOM 1087 H HD2 . LYS B 1 22 ? -1.042 0.152 -10.520 1.00 0.00 ? 22 LYS B HD2 1 ATOM 1088 H HD3 . LYS B 1 22 ? 0.645 0.175 -9.999 1.00 0.00 ? 22 LYS B HD3 1 ATOM 1089 H HE2 . LYS B 1 22 ? 0.358 -1.534 -8.537 1.00 0.00 ? 22 LYS B HE2 1 ATOM 1090 H HE3 . LYS B 1 22 ? -1.293 -1.059 -8.141 1.00 0.00 ? 22 LYS B HE3 1 ATOM 1091 H HZ1 . LYS B 1 22 ? -0.833 -2.057 -10.838 1.00 0.00 ? 22 LYS B HZ1 1 ATOM 1092 H HZ2 . LYS B 1 22 ? -0.723 -3.192 -9.589 1.00 0.00 ? 22 LYS B HZ2 1 ATOM 1093 H HZ3 . LYS B 1 22 ? -2.147 -2.304 -9.801 1.00 0.00 ? 22 LYS B HZ3 1 ATOM 1094 N N . GLU B 1 23 ? -1.211 -0.198 -5.118 1.00 0.00 ? 23 GLU B N 1 ATOM 1095 C CA . GLU B 1 23 ? -2.173 -1.193 -4.659 1.00 0.00 ? 23 GLU B CA 1 ATOM 1096 C C . GLU B 1 23 ? -3.178 -0.581 -3.687 1.00 0.00 ? 23 GLU B C 1 ATOM 1097 O O . GLU B 1 23 ? -4.363 -0.919 -3.711 1.00 0.00 ? 23 GLU B O 1 ATOM 1098 C CB . GLU B 1 23 ? -1.447 -2.361 -3.989 1.00 0.00 ? 23 GLU B CB 1 ATOM 1099 C CG . GLU B 1 23 ? -2.250 -3.651 -3.978 1.00 0.00 ? 23 GLU B CG 1 ATOM 1100 C CD . GLU B 1 23 ? -1.382 -4.877 -3.772 1.00 0.00 ? 23 GLU B CD 1 ATOM 1101 O OE1 . GLU B 1 23 ? -0.512 -4.844 -2.877 1.00 0.00 ? 23 GLU B OE1 1 ATOM 1102 O OE2 . GLU B 1 23 ? -1.573 -5.870 -4.505 1.00 0.00 ? 23 GLU B OE2 1 ATOM 1103 H H . GLU B 1 23 ? -0.265 -0.301 -4.879 1.00 0.00 ? 23 GLU B H 1 ATOM 1104 H HA . GLU B 1 23 ? -2.705 -1.561 -5.523 1.00 0.00 ? 23 GLU B HA 1 ATOM 1105 H HB2 . GLU B 1 23 ? -0.521 -2.543 -4.515 1.00 0.00 ? 23 GLU B HB2 1 ATOM 1106 H HB3 . GLU B 1 23 ? -1.223 -2.093 -2.967 1.00 0.00 ? 23 GLU B HB3 1 ATOM 1107 H HG2 . GLU B 1 23 ? -2.974 -3.603 -3.178 1.00 0.00 ? 23 GLU B HG2 1 ATOM 1108 H HG3 . GLU B 1 23 ? -2.766 -3.747 -4.923 1.00 0.00 ? 23 GLU B HG3 1 ATOM 1109 N N . ILE B 1 24 ? -2.704 0.320 -2.832 1.00 0.00 ? 24 ILE B N 1 ATOM 1110 C CA . ILE B 1 24 ? -3.576 0.968 -1.858 1.00 0.00 ? 24 ILE B CA 1 ATOM 1111 C C . ILE B 1 24 ? -4.621 1.827 -2.572 1.00 0.00 ? 24 ILE B C 1 ATOM 1112 O O . ILE B 1 24 ? -5.789 1.858 -2.185 1.00 0.00 ? 24 ILE B O 1 ATOM 1113 C CB . ILE B 1 24 ? -2.776 1.813 -0.811 1.00 0.00 ? 24 ILE B CB 1 ATOM 1114 C CG1 . ILE B 1 24 ? -2.632 3.284 -1.229 1.00 0.00 ? 24 ILE B CG1 1 ATOM 1115 C CG2 . ILE B 1 24 ? -1.399 1.210 -0.569 1.00 0.00 ? 24 ILE B CG2 1 ATOM 1116 C CD1 . ILE B 1 24 ? -3.825 4.132 -0.844 1.00 0.00 ? 24 ILE B CD1 1 ATOM 1117 H H . ILE B 1 24 ? -1.754 0.553 -2.860 1.00 0.00 ? 24 ILE B H 1 ATOM 1118 H HA . ILE B 1 24 ? -4.095 0.184 -1.322 1.00 0.00 ? 24 ILE B HA 1 ATOM 1119 H HB . ILE B 1 24 ? -3.317 1.770 0.123 1.00 0.00 ? 24 ILE B HB 1 ATOM 1120 H HG12 . ILE B 1 24 ? -1.759 3.705 -0.752 1.00 0.00 ? 24 ILE B HG12 1 ATOM 1121 H HG13 . ILE B 1 24 ? -2.515 3.340 -2.300 1.00 0.00 ? 24 ILE B HG13 1 ATOM 1122 H HG21 . ILE B 1 24 ? -1.423 0.154 -0.792 1.00 0.00 ? 24 ILE B HG21 1 ATOM 1123 H HG22 . ILE B 1 24 ? -0.678 1.695 -1.207 1.00 0.00 ? 24 ILE B HG22 1 ATOM 1124 H HG23 . ILE B 1 24 ? -1.120 1.354 0.463 1.00 0.00 ? 24 ILE B HG23 1 ATOM 1125 H HD11 . ILE B 1 24 ? -4.566 3.510 -0.360 1.00 0.00 ? 24 ILE B HD11 1 ATOM 1126 H HD12 . ILE B 1 24 ? -3.511 4.911 -0.166 1.00 0.00 ? 24 ILE B HD12 1 ATOM 1127 H HD13 . ILE B 1 24 ? -4.252 4.576 -1.731 1.00 0.00 ? 24 ILE B HD13 1 ATOM 1128 N N . GLU B 1 25 ? -4.185 2.518 -3.623 1.00 0.00 ? 25 GLU B N 1 ATOM 1129 C CA . GLU B 1 25 ? -5.073 3.372 -4.400 1.00 0.00 ? 25 GLU B CA 1 ATOM 1130 C C . GLU B 1 25 ? -6.225 2.559 -4.976 1.00 0.00 ? 25 GLU B C 1 ATOM 1131 O O . GLU B 1 25 ? -7.381 2.979 -4.923 1.00 0.00 ? 25 GLU B O 1 ATOM 1132 C CB . GLU B 1 25 ? -4.300 4.057 -5.529 1.00 0.00 ? 25 GLU B CB 1 ATOM 1133 C CG . GLU B 1 25 ? -4.922 5.366 -5.985 1.00 0.00 ? 25 GLU B CG 1 ATOM 1134 C CD . GLU B 1 25 ? -3.963 6.536 -5.875 1.00 0.00 ? 25 GLU B CD 1 ATOM 1135 O OE1 . GLU B 1 25 ? -3.083 6.666 -6.751 1.00 0.00 ? 25 GLU B OE1 1 ATOM 1136 O OE2 . GLU B 1 25 ? -4.093 7.321 -4.913 1.00 0.00 ? 25 GLU B OE2 1 ATOM 1137 H H . GLU B 1 25 ? -3.242 2.447 -3.883 1.00 0.00 ? 25 GLU B H 1 ATOM 1138 H HA . GLU B 1 25 ? -5.473 4.126 -3.738 1.00 0.00 ? 25 GLU B HA 1 ATOM 1139 H HB2 . GLU B 1 25 ? -3.294 4.259 -5.190 1.00 0.00 ? 25 GLU B HB2 1 ATOM 1140 H HB3 . GLU B 1 25 ? -4.257 3.389 -6.377 1.00 0.00 ? 25 GLU B HB3 1 ATOM 1141 H HG2 . GLU B 1 25 ? -5.226 5.266 -7.016 1.00 0.00 ? 25 GLU B HG2 1 ATOM 1142 H HG3 . GLU B 1 25 ? -5.788 5.571 -5.373 1.00 0.00 ? 25 GLU B HG3 1 ATOM 1143 N N . ARG B 1 26 ? -5.904 1.389 -5.518 1.00 0.00 ? 26 ARG B N 1 ATOM 1144 C CA . ARG B 1 26 ? -6.916 0.514 -6.094 1.00 0.00 ? 26 ARG B CA 1 ATOM 1145 C C . ARG B 1 26 ? -7.999 0.211 -5.066 1.00 0.00 ? 26 ARG B C 1 ATOM 1146 O O . ARG B 1 26 ? -9.192 0.343 -5.343 1.00 0.00 ? 26 ARG B O 1 ATOM 1147 C CB . ARG B 1 26 ? -6.281 -0.788 -6.586 1.00 0.00 ? 26 ARG B CB 1 ATOM 1148 C CG . ARG B 1 26 ? -6.829 -1.266 -7.920 1.00 0.00 ? 26 ARG B CG 1 ATOM 1149 C CD . ARG B 1 26 ? -5.914 -0.876 -9.070 1.00 0.00 ? 26 ARG B CD 1 ATOM 1150 N NE . ARG B 1 26 ? -6.547 -1.088 -10.369 1.00 0.00 ? 26 ARG B NE 1 ATOM 1151 C CZ . ARG B 1 26 ? -6.779 -2.290 -10.887 1.00 0.00 ? 26 ARG B CZ 1 ATOM 1152 N NH1 . ARG B 1 26 ? -6.432 -3.381 -10.217 1.00 0.00 ? 26 ARG B NH1 1 ATOM 1153 N NH2 . ARG B 1 26 ? -7.359 -2.402 -12.074 1.00 0.00 ? 26 ARG B NH2 1 ATOM 1154 H H . ARG B 1 26 ? -4.965 1.105 -5.526 1.00 0.00 ? 26 ARG B H 1 ATOM 1155 H HA . ARG B 1 26 ? -7.364 1.028 -6.932 1.00 0.00 ? 26 ARG B HA 1 ATOM 1156 H HB2 . ARG B 1 26 ? -5.216 -0.638 -6.691 1.00 0.00 ? 26 ARG B HB2 1 ATOM 1157 H HB3 . ARG B 1 26 ? -6.456 -1.560 -5.851 1.00 0.00 ? 26 ARG B HB3 1 ATOM 1158 H HG2 . ARG B 1 26 ? -6.920 -2.342 -7.896 1.00 0.00 ? 26 ARG B HG2 1 ATOM 1159 H HG3 . ARG B 1 26 ? -7.801 -0.823 -8.079 1.00 0.00 ? 26 ARG B HG3 1 ATOM 1160 H HD2 . ARG B 1 26 ? -5.660 0.169 -8.972 1.00 0.00 ? 26 ARG B HD2 1 ATOM 1161 H HD3 . ARG B 1 26 ? -5.015 -1.471 -9.016 1.00 0.00 ? 26 ARG B HD3 1 ATOM 1162 H HE . ARG B 1 26 ? -6.811 -0.295 -10.881 1.00 0.00 ? 26 ARG B HE 1 ATOM 1163 H HH11 . ARG B 1 26 ? -5.995 -3.300 -9.321 1.00 0.00 ? 26 ARG B HH11 1 ATOM 1164 H HH12 . ARG B 1 26 ? -6.608 -4.284 -10.608 1.00 0.00 ? 26 ARG B HH12 1 ATOM 1165 H HH21 . ARG B 1 26 ? -7.622 -1.582 -12.581 1.00 0.00 ? 26 ARG B HH21 1 ATOM 1166 H HH22 . ARG B 1 26 ? -7.532 -3.307 -12.462 1.00 0.00 ? 26 ARG B HH22 1 ATOM 1167 N N . HIS B 1 27 ? -7.572 -0.187 -3.871 1.00 0.00 ? 27 HIS B N 1 ATOM 1168 C CA . HIS B 1 27 ? -8.504 -0.498 -2.795 1.00 0.00 ? 27 HIS B CA 1 ATOM 1169 C C . HIS B 1 27 ? -9.274 0.750 -2.375 1.00 0.00 ? 27 HIS B C 1 ATOM 1170 O O . HIS B 1 27 ? -10.381 0.660 -1.843 1.00 0.00 ? 27 HIS B O 1 ATOM 1171 C CB . HIS B 1 27 ? -7.755 -1.079 -1.594 1.00 0.00 ? 27 HIS B CB 1 ATOM 1172 C CG . HIS B 1 27 ? -7.819 -2.573 -1.516 1.00 0.00 ? 27 HIS B CG 1 ATOM 1173 N ND1 . HIS B 1 27 ? -8.912 -3.256 -1.025 1.00 0.00 ? 27 HIS B ND1 1 ATOM 1174 C CD2 . HIS B 1 27 ? -6.916 -3.518 -1.872 1.00 0.00 ? 27 HIS B CD2 1 ATOM 1175 C CE1 . HIS B 1 27 ? -8.678 -4.555 -1.080 1.00 0.00 ? 27 HIS B CE1 1 ATOM 1176 N NE2 . HIS B 1 27 ? -7.475 -4.740 -1.590 1.00 0.00 ? 27 HIS B NE2 1 ATOM 1177 H H . HIS B 1 27 ? -6.608 -0.265 -3.708 1.00 0.00 ? 27 HIS B H 1 ATOM 1178 H HA . HIS B 1 27 ? -9.204 -1.233 -3.163 1.00 0.00 ? 27 HIS B HA 1 ATOM 1179 H HB2 . HIS B 1 27 ? -6.716 -0.794 -1.655 1.00 0.00 ? 27 HIS B HB2 1 ATOM 1180 H HB3 . HIS B 1 27 ? -8.181 -0.679 -0.686 1.00 0.00 ? 27 HIS B HB3 1 ATOM 1181 H HD1 . HIS B 1 27 ? -9.736 -2.848 -0.685 1.00 0.00 ? 27 HIS B HD1 1 ATOM 1182 H HD2 . HIS B 1 27 ? -5.938 -3.343 -2.297 1.00 0.00 ? 27 HIS B HD2 1 ATOM 1183 H HE1 . HIS B 1 27 ? -9.357 -5.333 -0.763 1.00 0.00 ? 27 HIS B HE1 1 ATOM 1184 H HE2 . HIS B 1 27 ? -7.052 -5.611 -1.743 1.00 0.00 ? 27 HIS B HE2 1 ATOM 1185 N N . LYS B 1 28 ? -8.681 1.916 -2.620 1.00 0.00 ? 28 LYS B N 1 ATOM 1186 C CA . LYS B 1 28 ? -9.310 3.183 -2.271 1.00 0.00 ? 28 LYS B CA 1 ATOM 1187 C C . LYS B 1 28 ? -10.400 3.542 -3.275 1.00 0.00 ? 28 LYS B C 1 ATOM 1188 O O . LYS B 1 28 ? -11.344 4.263 -2.951 1.00 0.00 ? 28 LYS B O 1 ATOM 1189 C CB . LYS B 1 28 ? -8.264 4.298 -2.216 1.00 0.00 ? 28 LYS B CB 1 ATOM 1190 C CG . LYS B 1 28 ? -8.747 5.552 -1.505 1.00 0.00 ? 28 LYS B CG 1 ATOM 1191 C CD . LYS B 1 28 ? -8.373 6.808 -2.276 1.00 0.00 ? 28 LYS B CD 1 ATOM 1192 C CE . LYS B 1 28 ? -9.260 6.999 -3.495 1.00 0.00 ? 28 LYS B CE 1 ATOM 1193 N NZ . LYS B 1 28 ? -9.571 8.434 -3.737 1.00 0.00 ? 28 LYS B NZ 1 ATOM 1194 H H . LYS B 1 28 ? -7.799 1.924 -3.047 1.00 0.00 ? 28 LYS B H 1 ATOM 1195 H HA . LYS B 1 28 ? -9.757 3.073 -1.295 1.00 0.00 ? 28 LYS B HA 1 ATOM 1196 H HB2 . LYS B 1 28 ? -7.390 3.931 -1.697 1.00 0.00 ? 28 LYS B HB2 1 ATOM 1197 H HB3 . LYS B 1 28 ? -7.986 4.566 -3.224 1.00 0.00 ? 28 LYS B HB3 1 ATOM 1198 H HG2 . LYS B 1 28 ? -9.822 5.508 -1.410 1.00 0.00 ? 28 LYS B HG2 1 ATOM 1199 H HG3 . LYS B 1 28 ? -8.298 5.594 -0.524 1.00 0.00 ? 28 LYS B HG3 1 ATOM 1200 H HD2 . LYS B 1 28 ? -8.483 7.662 -1.626 1.00 0.00 ? 28 LYS B HD2 1 ATOM 1201 H HD3 . LYS B 1 28 ? -7.345 6.727 -2.598 1.00 0.00 ? 28 LYS B HD3 1 ATOM 1202 H HE2 . LYS B 1 28 ? -8.752 6.599 -4.360 1.00 0.00 ? 28 LYS B HE2 1 ATOM 1203 H HE3 . LYS B 1 28 ? -10.184 6.460 -3.340 1.00 0.00 ? 28 LYS B HE3 1 ATOM 1204 H HZ1 . LYS B 1 28 ? -10.019 8.849 -2.895 1.00 0.00 ? 28 LYS B HZ1 1 ATOM 1205 H HZ2 . LYS B 1 28 ? -8.697 8.958 -3.945 1.00 0.00 ? 28 LYS B HZ2 1 ATOM 1206 H HZ3 . LYS B 1 28 ? -10.219 8.528 -4.545 1.00 0.00 ? 28 LYS B HZ3 1 ATOM 1207 N N . GLN B 1 29 ? -10.263 3.033 -4.495 1.00 0.00 ? 29 GLN B N 1 ATOM 1208 C CA . GLN B 1 29 ? -11.237 3.298 -5.547 1.00 0.00 ? 29 GLN B CA 1 ATOM 1209 C C . GLN B 1 29 ? -12.473 2.424 -5.372 1.00 0.00 ? 29 GLN B C 1 ATOM 1210 O O . GLN B 1 29 ? -13.592 2.850 -5.656 1.00 0.00 ? 29 GLN B O 1 ATOM 1211 C CB . GLN B 1 29 ? -10.613 3.051 -6.922 1.00 0.00 ? 29 GLN B CB 1 ATOM 1212 C CG . GLN B 1 29 ? -11.322 3.783 -8.051 1.00 0.00 ? 29 GLN B CG 1 ATOM 1213 C CD . GLN B 1 29 ? -10.483 3.863 -9.311 1.00 0.00 ? 29 GLN B CD 1 ATOM 1214 O OE1 . GLN B 1 29 ? -9.515 3.119 -9.475 1.00 0.00 ? 29 GLN B OE1 1 ATOM 1215 N NE2 . GLN B 1 29 ? -10.850 4.769 -10.210 1.00 0.00 ? 29 GLN B NE2 1 ATOM 1216 H H . GLN B 1 29 ? -9.490 2.464 -4.691 1.00 0.00 ? 29 GLN B H 1 ATOM 1217 H HA . GLN B 1 29 ? -11.530 4.335 -5.475 1.00 0.00 ? 29 GLN B HA 1 ATOM 1218 H HB2 . GLN B 1 29 ? -9.584 3.377 -6.902 1.00 0.00 ? 29 GLN B HB2 1 ATOM 1219 H HB3 . GLN B 1 29 ? -10.643 1.993 -7.134 1.00 0.00 ? 29 GLN B HB3 1 ATOM 1220 H HG2 . GLN B 1 29 ? -12.239 3.261 -8.281 1.00 0.00 ? 29 GLN B HG2 1 ATOM 1221 H HG3 . GLN B 1 29 ? -11.551 4.786 -7.724 1.00 0.00 ? 29 GLN B HG3 1 ATOM 1222 H HE21 . GLN B 1 29 ? -11.631 5.327 -10.012 1.00 0.00 ? 29 GLN B HE21 1 ATOM 1223 H HE22 . GLN B 1 29 ? -10.325 4.842 -11.034 1.00 0.00 ? 29 GLN B HE22 1 ATOM 1224 N N . SER B 1 30 ? -12.263 1.199 -4.901 1.00 0.00 ? 30 SER B N 1 ATOM 1225 C CA . SER B 1 30 ? -13.362 0.265 -4.687 1.00 0.00 ? 30 SER B CA 1 ATOM 1226 C C . SER B 1 30 ? -14.166 0.647 -3.448 1.00 0.00 ? 30 SER B C 1 ATOM 1227 O O . SER B 1 30 ? -15.387 0.495 -3.417 1.00 0.00 ? 30 SER B O 1 ATOM 1228 C CB . SER B 1 30 ? -12.827 -1.161 -4.542 1.00 0.00 ? 30 SER B CB 1 ATOM 1229 O OG . SER B 1 30 ? -11.743 -1.210 -3.631 1.00 0.00 ? 30 SER B OG 1 ATOM 1230 H H . SER B 1 30 ? -11.347 0.916 -4.693 1.00 0.00 ? 30 SER B H 1 ATOM 1231 H HA . SER B 1 30 ? -14.009 0.312 -5.549 1.00 0.00 ? 30 SER B HA 1 ATOM 1232 H HB2 . SER B 1 30 ? -13.615 -1.804 -4.179 1.00 0.00 ? 30 SER B HB2 1 ATOM 1233 H HB3 . SER B 1 30 ? -12.489 -1.516 -5.505 1.00 0.00 ? 30 SER B HB3 1 ATOM 1234 H HG . SER B 1 30 ? -11.020 -1.708 -4.020 1.00 0.00 ? 30 SER B HG 1 ATOM 1235 N N . ILE B 1 31 ? -13.473 1.146 -2.429 1.00 0.00 ? 31 ILE B N 1 ATOM 1236 C CA . ILE B 1 31 ? -14.122 1.553 -1.189 1.00 0.00 ? 31 ILE B CA 1 ATOM 1237 C C . ILE B 1 31 ? -14.816 2.901 -1.354 1.00 0.00 ? 31 ILE B C 1 ATOM 1238 O O . ILE B 1 31 ? -15.814 3.182 -0.691 1.00 0.00 ? 31 ILE B O 1 ATOM 1239 C CB . ILE B 1 31 ? -13.105 1.634 -0.033 1.00 0.00 ? 31 ILE B CB 1 ATOM 1240 C CG1 . ILE B 1 31 ? -13.773 2.118 1.256 1.00 0.00 ? 31 ILE B CG1 1 ATOM 1241 C CG2 . ILE B 1 31 ? -11.952 2.550 -0.408 1.00 0.00 ? 31 ILE B CG2 1 ATOM 1242 C CD1 . ILE B 1 31 ? -14.621 1.062 1.928 1.00 0.00 ? 31 ILE B CD1 1 ATOM 1243 H H . ILE B 1 31 ? -12.501 1.245 -2.514 1.00 0.00 ? 31 ILE B H 1 ATOM 1244 H HA . ILE B 1 31 ? -14.862 0.806 -0.939 1.00 0.00 ? 31 ILE B HA 1 ATOM 1245 H HB . ILE B 1 31 ? -12.707 0.644 0.129 1.00 0.00 ? 31 ILE B HB 1 ATOM 1246 H HG12 . ILE B 1 31 ? -13.008 2.420 1.956 1.00 0.00 ? 31 ILE B HG12 1 ATOM 1247 H HG13 . ILE B 1 31 ? -14.407 2.964 1.035 1.00 0.00 ? 31 ILE B HG13 1 ATOM 1248 H HG21 . ILE B 1 31 ? -12.022 2.808 -1.454 1.00 0.00 ? 31 ILE B HG21 1 ATOM 1249 H HG22 . ILE B 1 31 ? -11.998 3.449 0.189 1.00 0.00 ? 31 ILE B HG22 1 ATOM 1250 H HG23 . ILE B 1 31 ? -11.016 2.044 -0.224 1.00 0.00 ? 31 ILE B HG23 1 ATOM 1251 H HD11 . ILE B 1 31 ? -15.285 0.618 1.201 1.00 0.00 ? 31 ILE B HD11 1 ATOM 1252 H HD12 . ILE B 1 31 ? -13.980 0.301 2.344 1.00 0.00 ? 31 ILE B HD12 1 ATOM 1253 H HD13 . ILE B 1 31 ? -15.202 1.515 2.717 1.00 0.00 ? 31 ILE B HD13 1 ATOM 1254 N N . LYS B 1 32 ? -14.282 3.730 -2.245 1.00 0.00 ? 32 LYS B N 1 ATOM 1255 C CA . LYS B 1 32 ? -14.853 5.047 -2.500 1.00 0.00 ? 32 LYS B CA 1 ATOM 1256 C C . LYS B 1 32 ? -16.065 4.943 -3.419 1.00 0.00 ? 32 LYS B C 1 ATOM 1257 O O . LYS B 1 32 ? -17.003 5.734 -3.319 1.00 0.00 ? 32 LYS B O 1 ATOM 1258 C CB . LYS B 1 32 ? -13.803 5.970 -3.121 1.00 0.00 ? 32 LYS B CB 1 ATOM 1259 C CG . LYS B 1 32 ? -14.276 7.405 -3.283 1.00 0.00 ? 32 LYS B CG 1 ATOM 1260 C CD . LYS B 1 32 ? -14.026 8.219 -2.024 1.00 0.00 ? 32 LYS B CD 1 ATOM 1261 C CE . LYS B 1 32 ? -12.671 8.907 -2.065 1.00 0.00 ? 32 LYS B CE 1 ATOM 1262 N NZ . LYS B 1 32 ? -11.965 8.823 -0.757 1.00 0.00 ? 32 LYS B NZ 1 ATOM 1263 H H . LYS B 1 32 ? -13.488 3.448 -2.745 1.00 0.00 ? 32 LYS B H 1 ATOM 1264 H HA . LYS B 1 32 ? -15.169 5.459 -1.553 1.00 0.00 ? 32 LYS B HA 1 ATOM 1265 H HB2 . LYS B 1 32 ? -12.925 5.972 -2.492 1.00 0.00 ? 32 LYS B HB2 1 ATOM 1266 H HB3 . LYS B 1 32 ? -13.537 5.590 -4.096 1.00 0.00 ? 32 LYS B HB3 1 ATOM 1267 H HG2 . LYS B 1 32 ? -13.743 7.859 -4.104 1.00 0.00 ? 32 LYS B HG2 1 ATOM 1268 H HG3 . LYS B 1 32 ? -15.335 7.404 -3.495 1.00 0.00 ? 32 LYS B HG3 1 ATOM 1269 H HD2 . LYS B 1 32 ? -14.797 8.970 -1.933 1.00 0.00 ? 32 LYS B HD2 1 ATOM 1270 H HD3 . LYS B 1 32 ? -14.059 7.560 -1.168 1.00 0.00 ? 32 LYS B HD3 1 ATOM 1271 H HE2 . LYS B 1 32 ? -12.064 8.434 -2.823 1.00 0.00 ? 32 LYS B HE2 1 ATOM 1272 H HE3 . LYS B 1 32 ? -12.817 9.947 -2.320 1.00 0.00 ? 32 LYS B HE3 1 ATOM 1273 H HZ1 . LYS B 1 32 ? -11.904 7.832 -0.447 1.00 0.00 ? 32 LYS B HZ1 1 ATOM 1274 H HZ2 . LYS B 1 32 ? -11.002 9.207 -0.846 1.00 0.00 ? 32 LYS B HZ2 1 ATOM 1275 H HZ3 . LYS B 1 32 ? -12.479 9.369 -0.037 1.00 0.00 ? 32 LYS B HZ3 1 ATOM 1276 N N . LYS B 1 33 ? -16.040 3.959 -4.313 1.00 0.00 ? 33 LYS B N 1 ATOM 1277 C CA . LYS B 1 33 ? -17.138 3.749 -5.248 1.00 0.00 ? 33 LYS B CA 1 ATOM 1278 C C . LYS B 1 33 ? -18.290 3.015 -4.571 1.00 0.00 ? 33 LYS B C 1 ATOM 1279 O O . LYS B 1 33 ? -19.458 3.257 -4.874 1.00 0.00 ? 33 LYS B O 1 ATOM 1280 C CB . LYS B 1 33 ? -16.657 2.957 -6.465 1.00 0.00 ? 33 LYS B CB 1 ATOM 1281 C CG . LYS B 1 33 ? -17.588 3.057 -7.663 1.00 0.00 ? 33 LYS B CG 1 ATOM 1282 C CD . LYS B 1 33 ? -17.013 3.959 -8.742 1.00 0.00 ? 33 LYS B CD 1 ATOM 1283 C CE . LYS B 1 33 ? -17.313 5.423 -8.463 1.00 0.00 ? 33 LYS B CE 1 ATOM 1284 N NZ . LYS B 1 33 ? -18.299 5.981 -9.430 1.00 0.00 ? 33 LYS B NZ 1 ATOM 1285 H H . LYS B 1 33 ? -15.266 3.359 -4.343 1.00 0.00 ? 33 LYS B H 1 ATOM 1286 H HA . LYS B 1 33 ? -17.487 4.718 -5.574 1.00 0.00 ? 33 LYS B HA 1 ATOM 1287 H HB2 . LYS B 1 33 ? -15.686 3.327 -6.760 1.00 0.00 ? 33 LYS B HB2 1 ATOM 1288 H HB3 . LYS B 1 33 ? -16.568 1.917 -6.191 1.00 0.00 ? 33 LYS B HB3 1 ATOM 1289 H HG2 . LYS B 1 33 ? -17.736 2.069 -8.074 1.00 0.00 ? 33 LYS B HG2 1 ATOM 1290 H HG3 . LYS B 1 33 ? -18.536 3.459 -7.337 1.00 0.00 ? 33 LYS B HG3 1 ATOM 1291 H HD2 . LYS B 1 33 ? -15.942 3.823 -8.779 1.00 0.00 ? 33 LYS B HD2 1 ATOM 1292 H HD3 . LYS B 1 33 ? -17.445 3.686 -9.694 1.00 0.00 ? 33 LYS B HD3 1 ATOM 1293 H HE2 . LYS B 1 33 ? -17.713 5.511 -7.464 1.00 0.00 ? 33 LYS B HE2 1 ATOM 1294 H HE3 . LYS B 1 33 ? -16.394 5.985 -8.533 1.00 0.00 ? 33 LYS B HE3 1 ATOM 1295 H HZ1 . LYS B 1 33 ? -18.006 5.764 -10.404 1.00 0.00 ? 33 LYS B HZ1 1 ATOM 1296 H HZ2 . LYS B 1 33 ? -19.238 5.568 -9.262 1.00 0.00 ? 33 LYS B HZ2 1 ATOM 1297 H HZ3 . LYS B 1 33 ? -18.362 7.013 -9.319 1.00 0.00 ? 33 LYS B HZ3 1 ATOM 1298 N N . LEU B 1 34 ? -17.950 2.119 -3.650 1.00 0.00 ? 34 LEU B N 1 ATOM 1299 C CA . LEU B 1 34 ? -18.955 1.351 -2.925 1.00 0.00 ? 34 LEU B CA 1 ATOM 1300 C C . LEU B 1 34 ? -19.589 2.195 -1.824 1.00 0.00 ? 34 LEU B C 1 ATOM 1301 O O . LEU B 1 34 ? -20.744 1.986 -1.456 1.00 0.00 ? 34 LEU B O 1 ATOM 1302 C CB . LEU B 1 34 ? -18.328 0.092 -2.323 1.00 0.00 ? 34 LEU B CB 1 ATOM 1303 C CG . LEU B 1 34 ? -18.648 -1.208 -3.063 1.00 0.00 ? 34 LEU B CG 1 ATOM 1304 C CD1 . LEU B 1 34 ? -17.472 -2.169 -2.986 1.00 0.00 ? 34 LEU B CD1 1 ATOM 1305 C CD2 . LEU B 1 34 ? -19.902 -1.852 -2.491 1.00 0.00 ? 34 LEU B CD2 1 ATOM 1306 H H . LEU B 1 34 ? -17.002 1.974 -3.451 1.00 0.00 ? 34 LEU B H 1 ATOM 1307 H HA . LEU B 1 34 ? -19.722 1.061 -3.627 1.00 0.00 ? 34 LEU B HA 1 ATOM 1308 H HB2 . LEU B 1 34 ? -17.256 0.220 -2.309 1.00 0.00 ? 34 LEU B HB2 1 ATOM 1309 H HB3 . LEU B 1 34 ? -18.675 -0.006 -1.305 1.00 0.00 ? 34 LEU B HB3 1 ATOM 1310 H HG . LEU B 1 34 ? -18.830 -0.986 -4.104 1.00 0.00 ? 34 LEU B HG 1 ATOM 1311 H HD11 . LEU B 1 34 ? -16.599 -1.642 -2.628 1.00 0.00 ? 34 LEU B HD11 1 ATOM 1312 H HD12 . LEU B 1 34 ? -17.709 -2.975 -2.307 1.00 0.00 ? 34 LEU B HD12 1 ATOM 1313 H HD13 . LEU B 1 34 ? -17.271 -2.572 -3.967 1.00 0.00 ? 34 LEU B HD13 1 ATOM 1314 H HD21 . LEU B 1 34 ? -20.590 -1.081 -2.175 1.00 0.00 ? 34 LEU B HD21 1 ATOM 1315 H HD22 . LEU B 1 34 ? -20.369 -2.464 -3.247 1.00 0.00 ? 34 LEU B HD22 1 ATOM 1316 H HD23 . LEU B 1 34 ? -19.637 -2.466 -1.643 1.00 0.00 ? 34 LEU B HD23 1 ATOM 1317 N N . LYS B 1 35 ? -18.824 3.151 -1.305 1.00 0.00 ? 35 LYS B N 1 ATOM 1318 C CA . LYS B 1 35 ? -19.312 4.028 -0.248 1.00 0.00 ? 35 LYS B CA 1 ATOM 1319 C C . LYS B 1 35 ? -20.191 5.133 -0.824 1.00 0.00 ? 35 LYS B C 1 ATOM 1320 O O . LYS B 1 35 ? -21.153 5.568 -0.191 1.00 0.00 ? 35 LYS B O 1 ATOM 1321 C CB . LYS B 1 35 ? -18.138 4.642 0.518 1.00 0.00 ? 35 LYS B CB 1 ATOM 1322 C CG . LYS B 1 35 ? -18.525 5.202 1.877 1.00 0.00 ? 35 LYS B CG 1 ATOM 1323 C CD . LYS B 1 35 ? -18.174 6.676 1.992 1.00 0.00 ? 35 LYS B CD 1 ATOM 1324 C CE . LYS B 1 35 ? -16.675 6.902 1.884 1.00 0.00 ? 35 LYS B CE 1 ATOM 1325 N NZ . LYS B 1 35 ? -16.264 8.201 2.483 1.00 0.00 ? 35 LYS B NZ 1 ATOM 1326 H H . LYS B 1 35 ? -17.911 3.269 -1.642 1.00 0.00 ? 35 LYS B H 1 ATOM 1327 H HA . LYS B 1 35 ? -19.902 3.432 0.432 1.00 0.00 ? 35 LYS B HA 1 ATOM 1328 H HB2 . LYS B 1 35 ? -17.384 3.883 0.666 1.00 0.00 ? 35 LYS B HB2 1 ATOM 1329 H HB3 . LYS B 1 35 ? -17.718 5.443 -0.072 1.00 0.00 ? 35 LYS B HB3 1 ATOM 1330 H HG2 . LYS B 1 35 ? -19.589 5.083 2.015 1.00 0.00 ? 35 LYS B HG2 1 ATOM 1331 H HG3 . LYS B 1 35 ? -17.997 4.654 2.644 1.00 0.00 ? 35 LYS B HG3 1 ATOM 1332 H HD2 . LYS B 1 35 ? -18.667 7.216 1.198 1.00 0.00 ? 35 LYS B HD2 1 ATOM 1333 H HD3 . LYS B 1 35 ? -18.517 7.043 2.948 1.00 0.00 ? 35 LYS B HD3 1 ATOM 1334 H HE2 . LYS B 1 35 ? -16.165 6.102 2.399 1.00 0.00 ? 35 LYS B HE2 1 ATOM 1335 H HE3 . LYS B 1 35 ? -16.397 6.893 0.840 1.00 0.00 ? 35 LYS B HE3 1 ATOM 1336 H HZ1 . LYS B 1 35 ? -16.626 8.277 3.455 1.00 0.00 ? 35 LYS B HZ1 1 ATOM 1337 H HZ2 . LYS B 1 35 ? -15.227 8.273 2.505 1.00 0.00 ? 35 LYS B HZ2 1 ATOM 1338 H HZ3 . LYS B 1 35 ? -16.644 8.990 1.921 1.00 0.00 ? 35 LYS B HZ3 1 ATOM 1339 N N . GLN B 1 36 ? -19.857 5.580 -2.031 1.00 0.00 ? 36 GLN B N 1 ATOM 1340 C CA . GLN B 1 36 ? -20.618 6.631 -2.693 1.00 0.00 ? 36 GLN B CA 1 ATOM 1341 C C . GLN B 1 36 ? -21.916 6.078 -3.272 1.00 0.00 ? 36 GLN B C 1 ATOM 1342 O O . GLN B 1 36 ? -22.923 6.781 -3.349 1.00 0.00 ? 36 GLN B O 1 ATOM 1343 C CB . GLN B 1 36 ? -19.783 7.273 -3.803 1.00 0.00 ? 36 GLN B CB 1 ATOM 1344 C CG . GLN B 1 36 ? -20.533 8.333 -4.592 1.00 0.00 ? 36 GLN B CG 1 ATOM 1345 C CD . GLN B 1 36 ? -20.579 8.030 -6.077 1.00 0.00 ? 36 GLN B CD 1 ATOM 1346 O OE1 . GLN B 1 36 ? -20.386 6.890 -6.496 1.00 0.00 ? 36 GLN B OE1 1 ATOM 1347 N NE2 . GLN B 1 36 ? -20.836 9.055 -6.882 1.00 0.00 ? 36 GLN B NE2 1 ATOM 1348 H H . GLN B 1 36 ? -19.080 5.192 -2.487 1.00 0.00 ? 36 GLN B H 1 ATOM 1349 H HA . GLN B 1 36 ? -20.858 7.381 -1.955 1.00 0.00 ? 36 GLN B HA 1 ATOM 1350 H HB2 . GLN B 1 36 ? -18.911 7.732 -3.362 1.00 0.00 ? 36 GLN B HB2 1 ATOM 1351 H HB3 . GLN B 1 36 ? -19.465 6.503 -4.489 1.00 0.00 ? 36 GLN B HB3 1 ATOM 1352 H HG2 . GLN B 1 36 ? -21.545 8.391 -4.221 1.00 0.00 ? 36 GLN B HG2 1 ATOM 1353 H HG3 . GLN B 1 36 ? -20.043 9.284 -4.448 1.00 0.00 ? 36 GLN B HG3 1 ATOM 1354 H HE21 . GLN B 1 36 ? -20.979 9.936 -6.478 1.00 0.00 ? 36 GLN B HE21 1 ATOM 1355 H HE22 . GLN B 1 36 ? -20.872 8.888 -7.847 1.00 0.00 ? 36 GLN B HE22 1 ATOM 1356 N N . SER B 1 37 ? -21.884 4.812 -3.675 1.00 0.00 ? 37 SER B N 1 ATOM 1357 C CA . SER B 1 37 ? -23.059 4.162 -4.244 1.00 0.00 ? 37 SER B CA 1 ATOM 1358 C C . SER B 1 37 ? -24.062 3.805 -3.152 1.00 0.00 ? 37 SER B C 1 ATOM 1359 O O . SER B 1 37 ? -25.262 3.704 -3.406 1.00 0.00 ? 37 SER B O 1 ATOM 1360 C CB . SER B 1 37 ? -22.651 2.902 -5.010 1.00 0.00 ? 37 SER B CB 1 ATOM 1361 O OG . SER B 1 37 ? -23.527 2.659 -6.097 1.00 0.00 ? 37 SER B OG 1 ATOM 1362 H H . SER B 1 37 ? -21.052 4.302 -3.586 1.00 0.00 ? 37 SER B H 1 ATOM 1363 H HA . SER B 1 37 ? -23.522 4.856 -4.929 1.00 0.00 ? 37 SER B HA 1 ATOM 1364 H HB2 . SER B 1 37 ? -21.648 3.025 -5.392 1.00 0.00 ? 37 SER B HB2 1 ATOM 1365 H HB3 . SER B 1 37 ? -22.680 2.053 -4.343 1.00 0.00 ? 37 SER B HB3 1 ATOM 1366 H HG . SER B 1 37 ? -23.569 1.716 -6.269 1.00 0.00 ? 37 SER B HG 1 ATOM 1367 N N . GLU B 1 38 ? -23.561 3.618 -1.935 1.00 0.00 ? 38 GLU B N 1 ATOM 1368 C CA . GLU B 1 38 ? -24.413 3.274 -0.803 1.00 0.00 ? 38 GLU B CA 1 ATOM 1369 C C . GLU B 1 38 ? -25.214 4.487 -0.339 1.00 0.00 ? 38 GLU B C 1 ATOM 1370 O O . GLU B 1 38 ? -26.293 4.348 0.236 1.00 0.00 ? 38 GLU B O 1 ATOM 1371 C CB . GLU B 1 38 ? -23.569 2.734 0.352 1.00 0.00 ? 38 GLU B CB 1 ATOM 1372 C CG . GLU B 1 38 ? -24.216 1.571 1.087 1.00 0.00 ? 38 GLU B CG 1 ATOM 1373 C CD . GLU B 1 38 ? -23.396 1.102 2.273 1.00 0.00 ? 38 GLU B CD 1 ATOM 1374 O OE1 . GLU B 1 38 ? -23.031 1.949 3.114 1.00 0.00 ? 38 GLU B OE1 1 ATOM 1375 O OE2 . GLU B 1 38 ? -23.120 -0.113 2.360 1.00 0.00 ? 38 GLU B OE2 1 ATOM 1376 H H . GLU B 1 38 ? -22.596 3.714 -1.794 1.00 0.00 ? 38 GLU B H 1 ATOM 1377 H HA . GLU B 1 38 ? -25.100 2.506 -1.126 1.00 0.00 ? 38 GLU B HA 1 ATOM 1378 H HB2 . GLU B 1 38 ? -22.618 2.401 -0.037 1.00 0.00 ? 38 GLU B HB2 1 ATOM 1379 H HB3 . GLU B 1 38 ? -23.399 3.530 1.062 1.00 0.00 ? 38 GLU B HB3 1 ATOM 1380 H HG2 . GLU B 1 38 ? -25.188 1.881 1.441 1.00 0.00 ? 38 GLU B HG2 1 ATOM 1381 H HG3 . GLU B 1 38 ? -24.331 0.746 0.398 1.00 0.00 ? 38 GLU B HG3 1 ATOM 1382 N N . ASP B 1 39 ? -24.677 5.676 -0.595 1.00 0.00 ? 39 ASP B N 1 ATOM 1383 C CA . ASP B 1 39 ? -25.342 6.914 -0.205 1.00 0.00 ? 39 ASP B CA 1 ATOM 1384 C C . ASP B 1 39 ? -26.578 7.161 -1.063 1.00 0.00 ? 39 ASP B C 1 ATOM 1385 O O . ASP B 1 39 ? -27.521 7.826 -0.635 1.00 0.00 ? 39 ASP B O 1 ATOM 1386 C CB . ASP B 1 39 ? -24.378 8.094 -0.326 1.00 0.00 ? 39 ASP B CB 1 ATOM 1387 C CG . ASP B 1 39 ? -24.743 9.236 0.603 1.00 0.00 ? 39 ASP B CG 1 ATOM 1388 O OD1 . ASP B 1 39 ? -25.608 10.054 0.226 1.00 0.00 ? 39 ASP B OD1 1 ATOM 1389 O OD2 . ASP B 1 39 ? -24.163 9.312 1.707 1.00 0.00 ? 39 ASP B OD2 1 ATOM 1390 H H . ASP B 1 39 ? -23.814 5.722 -1.057 1.00 0.00 ? 39 ASP B H 1 ATOM 1391 H HA . ASP B 1 39 ? -25.648 6.815 0.826 1.00 0.00 ? 39 ASP B HA 1 ATOM 1392 H HB2 . ASP B 1 39 ? -23.379 7.762 -0.082 1.00 0.00 ? 39 ASP B HB2 1 ATOM 1393 H HB3 . ASP B 1 39 ? -24.393 8.461 -1.342 1.00 0.00 ? 39 ASP B HB3 1 ATOM 1394 N N . ASP B 1 40 ? -26.567 6.621 -2.278 1.00 0.00 ? 40 ASP B N 1 ATOM 1395 C CA . ASP B 1 40 ? -27.687 6.783 -3.197 1.00 0.00 ? 40 ASP B CA 1 ATOM 1396 C C . ASP B 1 40 ? -28.540 5.520 -3.243 1.00 0.00 ? 40 ASP B C 1 ATOM 1397 O O . ASP B 1 40 ? -28.093 4.442 -2.851 1.00 0.00 ? 40 ASP B O 1 ATOM 1398 C CB . ASP B 1 40 ? -27.178 7.119 -4.599 1.00 0.00 ? 40 ASP B CB 1 ATOM 1399 C CG . ASP B 1 40 ? -28.306 7.289 -5.598 1.00 0.00 ? 40 ASP B CG 1 ATOM 1400 O OD1 . ASP B 1 40 ? -29.183 8.146 -5.363 1.00 0.00 ? 40 ASP B OD1 1 ATOM 1401 O OD2 . ASP B 1 40 ? -28.312 6.565 -6.616 1.00 0.00 ? 40 ASP B OD2 1 ATOM 1402 H H . ASP B 1 40 ? -25.786 6.101 -2.562 1.00 0.00 ? 40 ASP B H 1 ATOM 1403 H HA . ASP B 1 40 ? -28.294 7.601 -2.838 1.00 0.00 ? 40 ASP B HA 1 ATOM 1404 H HB2 . ASP B 1 40 ? -26.616 8.040 -4.560 1.00 0.00 ? 40 ASP B HB2 1 ATOM 1405 H HB3 . ASP B 1 40 ? -26.534 6.324 -4.943 1.00 0.00 ? 40 ASP B HB3 1 ATOM 1406 N N . ASP B 1 41 ? -29.771 5.660 -3.723 1.00 0.00 ? 41 ASP B N 1 ATOM 1407 C CA . ASP B 1 41 ? -30.688 4.530 -3.821 1.00 0.00 ? 41 ASP B CA 1 ATOM 1408 C C . ASP B 1 41 ? -31.889 4.877 -4.694 1.00 0.00 ? 41 ASP B C 1 ATOM 1409 O O . ASP B 1 41 ? -31.803 5.867 -5.451 1.00 0.00 ? 41 ASP B O 1 ATOM 1410 C CB . ASP B 1 41 ? -31.160 4.108 -2.428 1.00 0.00 ? 41 ASP B CB 1 ATOM 1411 C CG . ASP B 1 41 ? -31.605 5.288 -1.587 1.00 0.00 ? 41 ASP B CG 1 ATOM 1412 O OD1 . ASP B 1 41 ? -32.105 6.276 -2.166 1.00 0.00 ? 41 ASP B OD1 1 ATOM 1413 O OD2 . ASP B 1 41 ? -31.454 5.225 -0.348 1.00 0.00 ? 41 ASP B OD2 1 ATOM 1414 O OXT . ASP B 1 41 ? -32.905 4.155 -4.615 1.00 0.00 ? 41 ASP B OXT 1 ATOM 1415 H H . ASP B 1 41 ? -30.071 6.545 -4.020 1.00 0.00 ? 41 ASP B H 1 ATOM 1416 H HA . ASP B 1 41 ? -30.153 3.708 -4.274 1.00 0.00 ? 41 ASP B HA 1 ATOM 1417 H HB2 . ASP B 1 41 ? -31.992 3.427 -2.528 1.00 0.00 ? 41 ASP B HB2 1 ATOM 1418 H HB3 . ASP B 1 41 ? -30.350 3.609 -1.916 1.00 0.00 ? 41 ASP B HB3 1 ATOM 1419 N N . ALA A 1 1 ? -35.499 -3.432 -0.296 1.00 0.00 ? 1 ALA A N 2 ATOM 1420 C CA . ALA A 1 1 ? -34.575 -2.295 -0.549 1.00 0.00 ? 1 ALA A CA 2 ATOM 1421 C C . ALA A 1 1 ? -33.838 -1.895 0.724 1.00 0.00 ? 1 ALA A C 2 ATOM 1422 O O . ALA A 1 1 ? -34.161 -0.885 1.350 1.00 0.00 ? 1 ALA A O 2 ATOM 1423 C CB . ALA A 1 1 ? -35.343 -1.107 -1.109 1.00 0.00 ? 1 ALA A CB 2 ATOM 1424 H H1 . ALA A 1 1 ? -35.116 -3.981 0.499 1.00 0.00 ? 1 ALA A H1 2 ATOM 1425 H H2 . ALA A 1 1 ? -36.432 -3.034 -0.062 1.00 0.00 ? 1 ALA A H2 2 ATOM 1426 H H3 . ALA A 1 1 ? -35.541 -4.005 -1.161 1.00 0.00 ? 1 ALA A H3 2 ATOM 1427 H HA . ALA A 1 1 ? -33.852 -2.604 -1.288 1.00 0.00 ? 1 ALA A HA 2 ATOM 1428 H HB1 . ALA A 1 1 ? -36.286 -1.012 -0.592 1.00 0.00 ? 1 ALA A HB1 2 ATOM 1429 H HB2 . ALA A 1 1 ? -34.764 -0.206 -0.969 1.00 0.00 ? 1 ALA A HB2 2 ATOM 1430 H HB3 . ALA A 1 1 ? -35.524 -1.260 -2.162 1.00 0.00 ? 1 ALA A HB3 2 ATOM 1431 N N . LEU A 1 2 ? -32.846 -2.694 1.103 1.00 0.00 ? 2 LEU A N 2 ATOM 1432 C CA . LEU A 1 2 ? -32.061 -2.423 2.302 1.00 0.00 ? 2 LEU A CA 2 ATOM 1433 C C . LEU A 1 2 ? -30.574 -2.630 2.038 1.00 0.00 ? 2 LEU A C 2 ATOM 1434 O O . LEU A 1 2 ? -29.787 -1.685 2.085 1.00 0.00 ? 2 LEU A O 2 ATOM 1435 C CB . LEU A 1 2 ? -32.518 -3.325 3.450 1.00 0.00 ? 2 LEU A CB 2 ATOM 1436 C CG . LEU A 1 2 ? -32.698 -2.620 4.795 1.00 0.00 ? 2 LEU A CG 2 ATOM 1437 C CD1 . LEU A 1 2 ? -34.052 -1.931 4.860 1.00 0.00 ? 2 LEU A CD1 2 ATOM 1438 C CD2 . LEU A 1 2 ? -32.547 -3.612 5.940 1.00 0.00 ? 2 LEU A CD2 2 ATOM 1439 H H . LEU A 1 2 ? -32.636 -3.484 0.563 1.00 0.00 ? 2 LEU A H 2 ATOM 1440 H HA . LEU A 1 2 ? -32.226 -1.393 2.579 1.00 0.00 ? 2 LEU A HA 2 ATOM 1441 H HB2 . LEU A 1 2 ? -33.460 -3.775 3.173 1.00 0.00 ? 2 LEU A HB2 2 ATOM 1442 H HB3 . LEU A 1 2 ? -31.787 -4.110 3.576 1.00 0.00 ? 2 LEU A HB3 2 ATOM 1443 H HG . LEU A 1 2 ? -31.934 -1.864 4.903 1.00 0.00 ? 2 LEU A HG 2 ATOM 1444 H HD11 . LEU A 1 2 ? -34.144 -1.239 4.037 1.00 0.00 ? 2 LEU A HD11 2 ATOM 1445 H HD12 . LEU A 1 2 ? -34.836 -2.672 4.796 1.00 0.00 ? 2 LEU A HD12 2 ATOM 1446 H HD13 . LEU A 1 2 ? -34.139 -1.396 5.793 1.00 0.00 ? 2 LEU A HD13 2 ATOM 1447 H HD21 . LEU A 1 2 ? -32.020 -4.488 5.590 1.00 0.00 ? 2 LEU A HD21 2 ATOM 1448 H HD22 . LEU A 1 2 ? -31.989 -3.153 6.743 1.00 0.00 ? 2 LEU A HD22 2 ATOM 1449 H HD23 . LEU A 1 2 ? -33.525 -3.899 6.298 1.00 0.00 ? 2 LEU A HD23 2 ATOM 1450 N N . LYS A 1 3 ? -30.195 -3.873 1.759 1.00 0.00 ? 3 LYS A N 2 ATOM 1451 C CA . LYS A 1 3 ? -28.801 -4.204 1.486 1.00 0.00 ? 3 LYS A CA 2 ATOM 1452 C C . LYS A 1 3 ? -27.896 -3.713 2.610 1.00 0.00 ? 3 LYS A C 2 ATOM 1453 O O . LYS A 1 3 ? -26.969 -2.936 2.379 1.00 0.00 ? 3 LYS A O 2 ATOM 1454 C CB . LYS A 1 3 ? -28.361 -3.592 0.156 1.00 0.00 ? 3 LYS A CB 2 ATOM 1455 C CG . LYS A 1 3 ? -28.532 -4.528 -1.031 1.00 0.00 ? 3 LYS A CG 2 ATOM 1456 C CD . LYS A 1 3 ? -29.431 -3.918 -2.095 1.00 0.00 ? 3 LYS A CD 2 ATOM 1457 C CE . LYS A 1 3 ? -29.828 -4.944 -3.142 1.00 0.00 ? 3 LYS A CE 2 ATOM 1458 N NZ . LYS A 1 3 ? -29.269 -4.615 -4.483 1.00 0.00 ? 3 LYS A NZ 2 ATOM 1459 H H . LYS A 1 3 ? -30.869 -4.584 1.735 1.00 0.00 ? 3 LYS A H 2 ATOM 1460 H HA . LYS A 1 3 ? -28.723 -5.280 1.422 1.00 0.00 ? 3 LYS A HA 2 ATOM 1461 H HB2 . LYS A 1 3 ? -28.942 -2.701 -0.028 1.00 0.00 ? 3 LYS A HB2 2 ATOM 1462 H HB3 . LYS A 1 3 ? -27.317 -3.322 0.225 1.00 0.00 ? 3 LYS A HB3 2 ATOM 1463 H HG2 . LYS A 1 3 ? -27.564 -4.726 -1.463 1.00 0.00 ? 3 LYS A HG2 2 ATOM 1464 H HG3 . LYS A 1 3 ? -28.973 -5.452 -0.687 1.00 0.00 ? 3 LYS A HG3 2 ATOM 1465 H HD2 . LYS A 1 3 ? -30.324 -3.536 -1.622 1.00 0.00 ? 3 LYS A HD2 2 ATOM 1466 H HD3 . LYS A 1 3 ? -28.902 -3.109 -2.577 1.00 0.00 ? 3 LYS A HD3 2 ATOM 1467 H HE2 . LYS A 1 3 ? -29.461 -5.913 -2.838 1.00 0.00 ? 3 LYS A HE2 2 ATOM 1468 H HE3 . LYS A 1 3 ? -30.907 -4.974 -3.209 1.00 0.00 ? 3 LYS A HE3 2 ATOM 1469 H HZ1 . LYS A 1 3 ? -29.616 -3.686 -4.797 1.00 0.00 ? 3 LYS A HZ1 2 ATOM 1470 H HZ2 . LYS A 1 3 ? -28.230 -4.587 -4.440 1.00 0.00 ? 3 LYS A HZ2 2 ATOM 1471 H HZ3 . LYS A 1 3 ? -29.558 -5.334 -5.177 1.00 0.00 ? 3 LYS A HZ3 2 ATOM 1472 N N . LYS A 1 4 ? -28.170 -4.170 3.827 1.00 0.00 ? 4 LYS A N 2 ATOM 1473 C CA . LYS A 1 4 ? -27.379 -3.777 4.989 1.00 0.00 ? 4 LYS A CA 2 ATOM 1474 C C . LYS A 1 4 ? -26.012 -4.452 4.969 1.00 0.00 ? 4 LYS A C 2 ATOM 1475 O O . LYS A 1 4 ? -25.020 -3.879 5.420 1.00 0.00 ? 4 LYS A O 2 ATOM 1476 C CB . LYS A 1 4 ? -28.119 -4.132 6.279 1.00 0.00 ? 4 LYS A CB 2 ATOM 1477 C CG . LYS A 1 4 ? -27.971 -3.087 7.373 1.00 0.00 ? 4 LYS A CG 2 ATOM 1478 C CD . LYS A 1 4 ? -27.656 -3.725 8.715 1.00 0.00 ? 4 LYS A CD 2 ATOM 1479 C CE . LYS A 1 4 ? -28.304 -2.964 9.860 1.00 0.00 ? 4 LYS A CE 2 ATOM 1480 N NZ . LYS A 1 4 ? -28.557 -3.839 11.038 1.00 0.00 ? 4 LYS A NZ 2 ATOM 1481 H H . LYS A 1 4 ? -28.922 -4.788 3.948 1.00 0.00 ? 4 LYS A H 2 ATOM 1482 H HA . LYS A 1 4 ? -27.240 -2.707 4.947 1.00 0.00 ? 4 LYS A HA 2 ATOM 1483 H HB2 . LYS A 1 4 ? -29.170 -4.246 6.059 1.00 0.00 ? 4 LYS A HB2 2 ATOM 1484 H HB3 . LYS A 1 4 ? -27.735 -5.070 6.653 1.00 0.00 ? 4 LYS A HB3 2 ATOM 1485 H HG2 . LYS A 1 4 ? -27.170 -2.414 7.108 1.00 0.00 ? 4 LYS A HG2 2 ATOM 1486 H HG3 . LYS A 1 4 ? -28.896 -2.534 7.455 1.00 0.00 ? 4 LYS A HG3 2 ATOM 1487 H HD2 . LYS A 1 4 ? -28.026 -4.740 8.716 1.00 0.00 ? 4 LYS A HD2 2 ATOM 1488 H HD3 . LYS A 1 4 ? -26.585 -3.730 8.857 1.00 0.00 ? 4 LYS A HD3 2 ATOM 1489 H HE2 . LYS A 1 4 ? -27.649 -2.158 10.157 1.00 0.00 ? 4 LYS A HE2 2 ATOM 1490 H HE3 . LYS A 1 4 ? -29.244 -2.555 9.518 1.00 0.00 ? 4 LYS A HE3 2 ATOM 1491 H HZ1 . LYS A 1 4 ? -28.730 -4.817 10.725 1.00 0.00 ? 4 LYS A HZ1 2 ATOM 1492 H HZ2 . LYS A 1 4 ? -27.733 -3.832 11.673 1.00 0.00 ? 4 LYS A HZ2 2 ATOM 1493 H HZ3 . LYS A 1 4 ? -29.389 -3.502 11.562 1.00 0.00 ? 4 LYS A HZ3 2 ATOM 1494 N N . HIS A 1 5 ? -25.968 -5.673 4.446 1.00 0.00 ? 5 HIS A N 2 ATOM 1495 C CA . HIS A 1 5 ? -24.721 -6.427 4.368 1.00 0.00 ? 5 HIS A CA 2 ATOM 1496 C C . HIS A 1 5 ? -23.679 -5.672 3.548 1.00 0.00 ? 5 HIS A C 2 ATOM 1497 O O . HIS A 1 5 ? -22.478 -5.809 3.776 1.00 0.00 ? 5 HIS A O 2 ATOM 1498 C CB . HIS A 1 5 ? -24.972 -7.804 3.753 1.00 0.00 ? 5 HIS A CB 2 ATOM 1499 C CG . HIS A 1 5 ? -25.316 -7.756 2.297 1.00 0.00 ? 5 HIS A CG 2 ATOM 1500 N ND1 . HIS A 1 5 ? -24.712 -8.561 1.353 1.00 0.00 ? 5 HIS A ND1 2 ATOM 1501 C CD2 . HIS A 1 5 ? -26.209 -6.993 1.622 1.00 0.00 ? 5 HIS A CD2 2 ATOM 1502 C CE1 . HIS A 1 5 ? -25.217 -8.294 0.162 1.00 0.00 ? 5 HIS A CE1 2 ATOM 1503 N NE2 . HIS A 1 5 ? -26.128 -7.348 0.298 1.00 0.00 ? 5 HIS A NE2 2 ATOM 1504 H H . HIS A 1 5 ? -26.793 -6.077 4.103 1.00 0.00 ? 5 HIS A H 2 ATOM 1505 H HA . HIS A 1 5 ? -24.348 -6.553 5.373 1.00 0.00 ? 5 HIS A HA 2 ATOM 1506 H HB2 . HIS A 1 5 ? -24.083 -8.407 3.864 1.00 0.00 ? 5 HIS A HB2 2 ATOM 1507 H HB3 . HIS A 1 5 ? -25.791 -8.280 4.274 1.00 0.00 ? 5 HIS A HB3 2 ATOM 1508 H HD1 . HIS A 1 5 ? -24.016 -9.226 1.530 1.00 0.00 ? 5 HIS A HD1 2 ATOM 1509 H HD2 . HIS A 1 5 ? -26.865 -6.246 2.047 1.00 0.00 ? 5 HIS A HD2 2 ATOM 1510 H HE1 . HIS A 1 5 ? -24.935 -8.771 -0.766 1.00 0.00 ? 5 HIS A HE1 2 ATOM 1511 H HE2 . HIS A 1 5 ? -26.659 -6.963 -0.430 1.00 0.00 ? 5 HIS A HE2 2 ATOM 1512 N N . HIS A 1 6 ? -24.149 -4.877 2.592 1.00 0.00 ? 6 HIS A N 2 ATOM 1513 C CA . HIS A 1 6 ? -23.257 -4.101 1.739 1.00 0.00 ? 6 HIS A CA 2 ATOM 1514 C C . HIS A 1 6 ? -22.422 -3.131 2.565 1.00 0.00 ? 6 HIS A C 2 ATOM 1515 O O . HIS A 1 6 ? -21.248 -2.905 2.275 1.00 0.00 ? 6 HIS A O 2 ATOM 1516 C CB . HIS A 1 6 ? -24.060 -3.336 0.686 1.00 0.00 ? 6 HIS A CB 2 ATOM 1517 C CG . HIS A 1 6 ? -24.009 -3.958 -0.675 1.00 0.00 ? 6 HIS A CG 2 ATOM 1518 N ND1 . HIS A 1 6 ? -24.077 -5.320 -0.883 1.00 0.00 ? 6 HIS A ND1 2 ATOM 1519 C CD2 . HIS A 1 6 ? -23.896 -3.398 -1.902 1.00 0.00 ? 6 HIS A CD2 2 ATOM 1520 C CE1 . HIS A 1 6 ? -24.008 -5.570 -2.179 1.00 0.00 ? 6 HIS A CE1 2 ATOM 1521 N NE2 . HIS A 1 6 ? -23.899 -4.420 -2.818 1.00 0.00 ? 6 HIS A NE2 2 ATOM 1522 H H . HIS A 1 6 ? -25.117 -4.809 2.459 1.00 0.00 ? 6 HIS A H 2 ATOM 1523 H HA . HIS A 1 6 ? -22.593 -4.793 1.241 1.00 0.00 ? 6 HIS A HA 2 ATOM 1524 H HB2 . HIS A 1 6 ? -25.094 -3.293 0.993 1.00 0.00 ? 6 HIS A HB2 2 ATOM 1525 H HB3 . HIS A 1 6 ? -23.671 -2.331 0.607 1.00 0.00 ? 6 HIS A HB3 2 ATOM 1526 H HD1 . HIS A 1 6 ? -24.162 -6.003 -0.184 1.00 0.00 ? 6 HIS A HD1 2 ATOM 1527 H HD2 . HIS A 1 6 ? -23.820 -2.342 -2.120 1.00 0.00 ? 6 HIS A HD2 2 ATOM 1528 H HE1 . HIS A 1 6 ? -24.037 -6.548 -2.636 1.00 0.00 ? 6 HIS A HE1 2 ATOM 1529 H HE2 . HIS A 1 6 ? -23.830 -4.317 -3.790 1.00 0.00 ? 6 HIS A HE2 2 ATOM 1530 N N . GLU A 1 7 ? -23.034 -2.561 3.598 1.00 0.00 ? 7 GLU A N 2 ATOM 1531 C CA . GLU A 1 7 ? -22.342 -1.620 4.469 1.00 0.00 ? 7 GLU A CA 2 ATOM 1532 C C . GLU A 1 7 ? -21.207 -2.312 5.216 1.00 0.00 ? 7 GLU A C 2 ATOM 1533 O O . GLU A 1 7 ? -20.229 -1.676 5.607 1.00 0.00 ? 7 GLU A O 2 ATOM 1534 C CB . GLU A 1 7 ? -23.322 -0.996 5.466 1.00 0.00 ? 7 GLU A CB 2 ATOM 1535 C CG . GLU A 1 7 ? -24.147 0.137 4.879 1.00 0.00 ? 7 GLU A CG 2 ATOM 1536 C CD . GLU A 1 7 ? -24.903 0.916 5.938 1.00 0.00 ? 7 GLU A CD 2 ATOM 1537 O OE1 . GLU A 1 7 ? -25.431 0.284 6.877 1.00 0.00 ? 7 GLU A OE1 2 ATOM 1538 O OE2 . GLU A 1 7 ? -24.965 2.159 5.829 1.00 0.00 ? 7 GLU A OE2 2 ATOM 1539 H H . GLU A 1 7 ? -23.970 -2.782 3.782 1.00 0.00 ? 7 GLU A H 2 ATOM 1540 H HA . GLU A 1 7 ? -21.925 -0.839 3.850 1.00 0.00 ? 7 GLU A HA 2 ATOM 1541 H HB2 . GLU A 1 7 ? -23.998 -1.763 5.815 1.00 0.00 ? 7 GLU A HB2 2 ATOM 1542 H HB3 . GLU A 1 7 ? -22.765 -0.609 6.307 1.00 0.00 ? 7 GLU A HB3 2 ATOM 1543 H HG2 . GLU A 1 7 ? -23.487 0.814 4.359 1.00 0.00 ? 7 GLU A HG2 2 ATOM 1544 H HG3 . GLU A 1 7 ? -24.860 -0.278 4.181 1.00 0.00 ? 7 GLU A HG3 2 ATOM 1545 N N . ASN A 1 8 ? -21.344 -3.621 5.405 1.00 0.00 ? 8 ASN A N 2 ATOM 1546 C CA . ASN A 1 8 ? -20.327 -4.402 6.099 1.00 0.00 ? 8 ASN A CA 2 ATOM 1547 C C . ASN A 1 8 ? -19.096 -4.574 5.218 1.00 0.00 ? 8 ASN A C 2 ATOM 1548 O O . ASN A 1 8 ? -17.988 -4.205 5.606 1.00 0.00 ? 8 ASN A O 2 ATOM 1549 C CB . ASN A 1 8 ? -20.885 -5.770 6.495 1.00 0.00 ? 8 ASN A CB 2 ATOM 1550 C CG . ASN A 1 8 ? -20.624 -6.100 7.952 1.00 0.00 ? 8 ASN A CG 2 ATOM 1551 O OD1 . ASN A 1 8 ? -20.452 -5.207 8.781 1.00 0.00 ? 8 ASN A OD1 2 ATOM 1552 N ND2 . ASN A 1 8 ? -20.592 -7.389 8.270 1.00 0.00 ? 8 ASN A ND2 2 ATOM 1553 H H . ASN A 1 8 ? -22.145 -4.071 5.066 1.00 0.00 ? 8 ASN A H 2 ATOM 1554 H HA . ASN A 1 8 ? -20.046 -3.862 6.990 1.00 0.00 ? 8 ASN A HA 2 ATOM 1555 H HB2 . ASN A 1 8 ? -21.952 -5.780 6.329 1.00 0.00 ? 8 ASN A HB2 2 ATOM 1556 H HB3 . ASN A 1 8 ? -20.422 -6.532 5.884 1.00 0.00 ? 8 ASN A HB3 2 ATOM 1557 H HD21 . ASN A 1 8 ? -20.738 -8.046 7.558 1.00 0.00 ? 8 ASN A HD21 2 ATOM 1558 H HD22 . ASN A 1 8 ? -20.426 -7.631 9.205 1.00 0.00 ? 8 ASN A HD22 2 ATOM 1559 N N . GLU A 1 9 ? -19.300 -5.123 4.025 1.00 0.00 ? 9 GLU A N 2 ATOM 1560 C CA . GLU A 1 9 ? -18.205 -5.326 3.087 1.00 0.00 ? 9 GLU A CA 2 ATOM 1561 C C . GLU A 1 9 ? -17.569 -3.991 2.714 1.00 0.00 ? 9 GLU A C 2 ATOM 1562 O O . GLU A 1 9 ? -16.405 -3.933 2.317 1.00 0.00 ? 9 GLU A O 2 ATOM 1563 C CB . GLU A 1 9 ? -18.707 -6.037 1.828 1.00 0.00 ? 9 GLU A CB 2 ATOM 1564 C CG . GLU A 1 9 ? -17.666 -6.935 1.180 1.00 0.00 ? 9 GLU A CG 2 ATOM 1565 C CD . GLU A 1 9 ? -17.439 -8.217 1.955 1.00 0.00 ? 9 GLU A CD 2 ATOM 1566 O OE1 . GLU A 1 9 ? -17.249 -8.140 3.187 1.00 0.00 ? 9 GLU A OE1 2 ATOM 1567 O OE2 . GLU A 1 9 ? -17.449 -9.299 1.331 1.00 0.00 ? 9 GLU A OE2 2 ATOM 1568 H H . GLU A 1 9 ? -20.210 -5.387 3.767 1.00 0.00 ? 9 GLU A H 2 ATOM 1569 H HA . GLU A 1 9 ? -17.462 -5.945 3.569 1.00 0.00 ? 9 GLU A HA 2 ATOM 1570 H HB2 . GLU A 1 9 ? -19.563 -6.643 2.088 1.00 0.00 ? 9 GLU A HB2 2 ATOM 1571 H HB3 . GLU A 1 9 ? -19.011 -5.294 1.106 1.00 0.00 ? 9 GLU A HB3 2 ATOM 1572 H HG2 . GLU A 1 9 ? -17.998 -7.189 0.184 1.00 0.00 ? 9 GLU A HG2 2 ATOM 1573 H HG3 . GLU A 1 9 ? -16.732 -6.396 1.119 1.00 0.00 ? 9 GLU A HG3 2 ATOM 1574 N N . ILE A 1 10 ? -18.345 -2.918 2.848 1.00 0.00 ? 10 ILE A N 2 ATOM 1575 C CA . ILE A 1 10 ? -17.868 -1.581 2.532 1.00 0.00 ? 10 ILE A CA 2 ATOM 1576 C C . ILE A 1 10 ? -16.863 -1.108 3.589 1.00 0.00 ? 10 ILE A C 2 ATOM 1577 O O . ILE A 1 10 ? -15.778 -0.628 3.258 1.00 0.00 ? 10 ILE A O 2 ATOM 1578 C CB . ILE A 1 10 ? -19.079 -0.598 2.382 1.00 0.00 ? 10 ILE A CB 2 ATOM 1579 C CG1 . ILE A 1 10 ? -19.170 -0.104 0.938 1.00 0.00 ? 10 ILE A CG1 2 ATOM 1580 C CG2 . ILE A 1 10 ? -19.031 0.593 3.343 1.00 0.00 ? 10 ILE A CG2 2 ATOM 1581 C CD1 . ILE A 1 10 ? -20.565 -0.194 0.358 1.00 0.00 ? 10 ILE A CD1 2 ATOM 1582 H H . ILE A 1 10 ? -19.263 -3.029 3.170 1.00 0.00 ? 10 ILE A H 2 ATOM 1583 H HA . ILE A 1 10 ? -17.362 -1.634 1.578 1.00 0.00 ? 10 ILE A HA 2 ATOM 1584 H HB . ILE A 1 10 ? -19.977 -1.154 2.604 1.00 0.00 ? 10 ILE A HB 2 ATOM 1585 H HG12 . ILE A 1 10 ? -18.860 0.930 0.897 1.00 0.00 ? 10 ILE A HG12 2 ATOM 1586 H HG13 . ILE A 1 10 ? -18.513 -0.697 0.319 1.00 0.00 ? 10 ILE A HG13 2 ATOM 1587 H HG21 . ILE A 1 10 ? -18.900 0.233 4.353 1.00 0.00 ? 10 ILE A HG21 2 ATOM 1588 H HG22 . ILE A 1 10 ? -18.206 1.237 3.080 1.00 0.00 ? 10 ILE A HG22 2 ATOM 1589 H HG23 . ILE A 1 10 ? -19.956 1.146 3.275 1.00 0.00 ? 10 ILE A HG23 2 ATOM 1590 H HD11 . ILE A 1 10 ? -21.227 -0.643 1.084 1.00 0.00 ? 10 ILE A HD11 2 ATOM 1591 H HD12 . ILE A 1 10 ? -20.917 0.797 0.114 1.00 0.00 ? 10 ILE A HD12 2 ATOM 1592 H HD13 . ILE A 1 10 ? -20.545 -0.801 -0.535 1.00 0.00 ? 10 ILE A HD13 2 ATOM 1593 N N . SER A 1 11 ? -17.234 -1.254 4.857 1.00 0.00 ? 11 SER A N 2 ATOM 1594 C CA . SER A 1 11 ? -16.368 -0.849 5.956 1.00 0.00 ? 11 SER A CA 2 ATOM 1595 C C . SER A 1 11 ? -15.091 -1.680 5.970 1.00 0.00 ? 11 SER A C 2 ATOM 1596 O O . SER A 1 11 ? -14.049 -1.230 6.452 1.00 0.00 ? 11 SER A O 2 ATOM 1597 C CB . SER A 1 11 ? -17.099 -0.993 7.292 1.00 0.00 ? 11 SER A CB 2 ATOM 1598 O OG . SER A 1 11 ? -16.609 -0.067 8.246 1.00 0.00 ? 11 SER A OG 2 ATOM 1599 H H . SER A 1 11 ? -18.110 -1.646 5.058 1.00 0.00 ? 11 SER A H 2 ATOM 1600 H HA . SER A 1 11 ? -16.108 0.189 5.809 1.00 0.00 ? 11 SER A HA 2 ATOM 1601 H HB2 . SER A 1 11 ? -18.155 -0.812 7.143 1.00 0.00 ? 11 SER A HB2 2 ATOM 1602 H HB3 . SER A 1 11 ? -16.956 -1.994 7.672 1.00 0.00 ? 11 SER A HB3 2 ATOM 1603 H HG . SER A 1 11 ? -16.455 -0.518 9.079 1.00 0.00 ? 11 SER A HG 2 ATOM 1604 N N . HIS A 1 12 ? -15.176 -2.893 5.434 1.00 0.00 ? 12 HIS A N 2 ATOM 1605 C CA . HIS A 1 12 ? -14.027 -3.785 5.382 1.00 0.00 ? 12 HIS A CA 2 ATOM 1606 C C . HIS A 1 12 ? -13.010 -3.280 4.354 1.00 0.00 ? 12 HIS A C 2 ATOM 1607 O O . HIS A 1 12 ? -11.809 -3.253 4.621 1.00 0.00 ? 12 HIS A O 2 ATOM 1608 C CB . HIS A 1 12 ? -14.503 -5.230 5.093 1.00 0.00 ? 12 HIS A CB 2 ATOM 1609 C CG . HIS A 1 12 ? -13.818 -5.936 3.955 1.00 0.00 ? 12 HIS A CG 2 ATOM 1610 N ND1 . HIS A 1 12 ? -12.525 -6.412 4.031 1.00 0.00 ? 12 HIS A ND1 2 ATOM 1611 C CD2 . HIS A 1 12 ? -14.258 -6.243 2.714 1.00 0.00 ? 12 HIS A CD2 2 ATOM 1612 C CE1 . HIS A 1 12 ? -12.201 -6.982 2.883 1.00 0.00 ? 12 HIS A CE1 2 ATOM 1613 N NE2 . HIS A 1 12 ? -13.236 -6.892 2.068 1.00 0.00 ? 12 HIS A NE2 2 ATOM 1614 H H . HIS A 1 12 ? -16.032 -3.194 5.063 1.00 0.00 ? 12 HIS A H 2 ATOM 1615 H HA . HIS A 1 12 ? -13.561 -3.764 6.357 1.00 0.00 ? 12 HIS A HA 2 ATOM 1616 H HB2 . HIS A 1 12 ? -14.351 -5.827 5.978 1.00 0.00 ? 12 HIS A HB2 2 ATOM 1617 H HB3 . HIS A 1 12 ? -15.562 -5.204 4.872 1.00 0.00 ? 12 HIS A HB3 2 ATOM 1618 H HD1 . HIS A 1 12 ? -11.935 -6.343 4.809 1.00 0.00 ? 12 HIS A HD1 2 ATOM 1619 H HD2 . HIS A 1 12 ? -15.234 -6.017 2.308 1.00 0.00 ? 12 HIS A HD2 2 ATOM 1620 H HE1 . HIS A 1 12 ? -11.252 -7.442 2.652 1.00 0.00 ? 12 HIS A HE1 2 ATOM 1621 H HE2 . HIS A 1 12 ? -13.265 -7.235 1.151 1.00 0.00 ? 12 HIS A HE2 2 ATOM 1622 N N . HIS A 1 13 ? -13.499 -2.870 3.187 1.00 0.00 ? 13 HIS A N 2 ATOM 1623 C CA . HIS A 1 13 ? -12.621 -2.359 2.143 1.00 0.00 ? 13 HIS A CA 2 ATOM 1624 C C . HIS A 1 13 ? -11.939 -1.081 2.611 1.00 0.00 ? 13 HIS A C 2 ATOM 1625 O O . HIS A 1 13 ? -10.818 -0.778 2.204 1.00 0.00 ? 13 HIS A O 2 ATOM 1626 C CB . HIS A 1 13 ? -13.399 -2.084 0.855 1.00 0.00 ? 13 HIS A CB 2 ATOM 1627 C CG . HIS A 1 13 ? -14.269 -3.216 0.411 1.00 0.00 ? 13 HIS A CG 2 ATOM 1628 N ND1 . HIS A 1 13 ? -13.891 -4.540 0.496 1.00 0.00 ? 13 HIS A ND1 2 ATOM 1629 C CD2 . HIS A 1 13 ? -15.504 -3.213 -0.143 1.00 0.00 ? 13 HIS A CD2 2 ATOM 1630 C CE1 . HIS A 1 13 ? -14.857 -5.301 0.012 1.00 0.00 ? 13 HIS A CE1 2 ATOM 1631 N NE2 . HIS A 1 13 ? -15.846 -4.521 -0.380 1.00 0.00 ? 13 HIS A NE2 2 ATOM 1632 H H . HIS A 1 13 ? -14.466 -2.904 3.029 1.00 0.00 ? 13 HIS A H 2 ATOM 1633 H HA . HIS A 1 13 ? -11.867 -3.106 1.947 1.00 0.00 ? 13 HIS A HA 2 ATOM 1634 H HB2 . HIS A 1 13 ? -14.031 -1.222 1.003 1.00 0.00 ? 13 HIS A HB2 2 ATOM 1635 H HB3 . HIS A 1 13 ? -12.697 -1.875 0.061 1.00 0.00 ? 13 HIS A HB3 2 ATOM 1636 H HD1 . HIS A 1 13 ? -13.042 -4.871 0.856 1.00 0.00 ? 13 HIS A HD1 2 ATOM 1637 H HD2 . HIS A 1 13 ? -16.103 -2.341 -0.360 1.00 0.00 ? 13 HIS A HD2 2 ATOM 1638 H HE1 . HIS A 1 13 ? -14.839 -6.379 -0.053 1.00 0.00 ? 13 HIS A HE1 2 ATOM 1639 H HE2 . HIS A 1 13 ? -16.688 -4.827 -0.777 1.00 0.00 ? 13 HIS A HE2 2 ATOM 1640 N N . ALA A 1 14 ? -12.625 -0.335 3.473 1.00 0.00 ? 14 ALA A N 2 ATOM 1641 C CA . ALA A 1 14 ? -12.085 0.909 4.004 1.00 0.00 ? 14 ALA A CA 2 ATOM 1642 C C . ALA A 1 14 ? -10.852 0.635 4.851 1.00 0.00 ? 14 ALA A C 2 ATOM 1643 O O . ALA A 1 14 ? -9.795 1.226 4.641 1.00 0.00 ? 14 ALA A O 2 ATOM 1644 C CB . ALA A 1 14 ? -13.141 1.642 4.819 1.00 0.00 ? 14 ALA A CB 2 ATOM 1645 H H . ALA A 1 14 ? -13.515 -0.631 3.760 1.00 0.00 ? 14 ALA A H 2 ATOM 1646 H HA . ALA A 1 14 ? -11.805 1.537 3.169 1.00 0.00 ? 14 ALA A HA 2 ATOM 1647 H HB1 . ALA A 1 14 ? -13.006 1.416 5.866 1.00 0.00 ? 14 ALA A HB1 2 ATOM 1648 H HB2 . ALA A 1 14 ? -14.123 1.322 4.505 1.00 0.00 ? 14 ALA A HB2 2 ATOM 1649 H HB3 . ALA A 1 14 ? -13.041 2.706 4.663 1.00 0.00 ? 14 ALA A HB3 2 ATOM 1650 N N . LYS A 1 15 ? -10.991 -0.282 5.803 1.00 0.00 ? 15 LYS A N 2 ATOM 1651 C CA . LYS A 1 15 ? -9.882 -0.648 6.671 1.00 0.00 ? 15 LYS A CA 2 ATOM 1652 C C . LYS A 1 15 ? -8.764 -1.303 5.863 1.00 0.00 ? 15 LYS A C 2 ATOM 1653 O O . LYS A 1 15 ? -7.611 -1.336 6.294 1.00 0.00 ? 15 LYS A O 2 ATOM 1654 C CB . LYS A 1 15 ? -10.358 -1.599 7.772 1.00 0.00 ? 15 LYS A CB 2 ATOM 1655 C CG . LYS A 1 15 ? -10.993 -0.888 8.956 1.00 0.00 ? 15 LYS A CG 2 ATOM 1656 C CD . LYS A 1 15 ? -10.480 -1.439 10.276 1.00 0.00 ? 15 LYS A CD 2 ATOM 1657 C CE . LYS A 1 15 ? -10.688 -0.449 11.411 1.00 0.00 ? 15 LYS A CE 2 ATOM 1658 N NZ . LYS A 1 15 ? -9.560 0.518 11.518 1.00 0.00 ? 15 LYS A NZ 2 ATOM 1659 H H . LYS A 1 15 ? -11.856 -0.729 5.915 1.00 0.00 ? 15 LYS A H 2 ATOM 1660 H HA . LYS A 1 15 ? -9.501 0.255 7.125 1.00 0.00 ? 15 LYS A HA 2 ATOM 1661 H HB2 . LYS A 1 15 ? -11.086 -2.278 7.354 1.00 0.00 ? 15 LYS A HB2 2 ATOM 1662 H HB3 . LYS A 1 15 ? -9.513 -2.166 8.131 1.00 0.00 ? 15 LYS A HB3 2 ATOM 1663 H HG2 . LYS A 1 15 ? -10.758 0.164 8.900 1.00 0.00 ? 15 LYS A HG2 2 ATOM 1664 H HG3 . LYS A 1 15 ? -12.064 -1.023 8.911 1.00 0.00 ? 15 LYS A HG3 2 ATOM 1665 H HD2 . LYS A 1 15 ? -11.011 -2.351 10.505 1.00 0.00 ? 15 LYS A HD2 2 ATOM 1666 H HD3 . LYS A 1 15 ? -9.424 -1.649 10.181 1.00 0.00 ? 15 LYS A HD3 2 ATOM 1667 H HE2 . LYS A 1 15 ? -11.602 0.098 11.232 1.00 0.00 ? 15 LYS A HE2 2 ATOM 1668 H HE3 . LYS A 1 15 ? -10.772 -0.997 12.338 1.00 0.00 ? 15 LYS A HE3 2 ATOM 1669 H HZ1 . LYS A 1 15 ? -9.071 0.600 10.605 1.00 0.00 ? 15 LYS A HZ1 2 ATOM 1670 H HZ2 . LYS A 1 15 ? -9.918 1.455 11.793 1.00 0.00 ? 15 LYS A HZ2 2 ATOM 1671 H HZ3 . LYS A 1 15 ? -8.880 0.194 12.235 1.00 0.00 ? 15 LYS A HZ3 2 ATOM 1672 N N . GLU A 1 16 ? -9.114 -1.824 4.687 1.00 0.00 ? 16 GLU A N 2 ATOM 1673 C CA . GLU A 1 16 ? -8.142 -2.477 3.820 1.00 0.00 ? 16 GLU A CA 2 ATOM 1674 C C . GLU A 1 16 ? -7.285 -1.452 3.084 1.00 0.00 ? 16 GLU A C 2 ATOM 1675 O O . GLU A 1 16 ? -6.097 -1.678 2.858 1.00 0.00 ? 16 GLU A O 2 ATOM 1676 C CB . GLU A 1 16 ? -8.853 -3.383 2.813 1.00 0.00 ? 16 GLU A CB 2 ATOM 1677 C CG . GLU A 1 16 ? -9.296 -4.713 3.397 1.00 0.00 ? 16 GLU A CG 2 ATOM 1678 C CD . GLU A 1 16 ? -8.263 -5.806 3.206 1.00 0.00 ? 16 GLU A CD 2 ATOM 1679 O OE1 . GLU A 1 16 ? -7.645 -5.855 2.122 1.00 0.00 ? 16 GLU A OE1 2 ATOM 1680 O OE2 . GLU A 1 16 ? -8.074 -6.615 4.139 1.00 0.00 ? 16 GLU A OE2 2 ATOM 1681 H H . GLU A 1 16 ? -10.047 -1.770 4.397 1.00 0.00 ? 16 GLU A H 2 ATOM 1682 H HA . GLU A 1 16 ? -7.499 -3.083 4.442 1.00 0.00 ? 16 GLU A HA 2 ATOM 1683 H HB2 . GLU A 1 16 ? -9.727 -2.869 2.439 1.00 0.00 ? 16 GLU A HB2 2 ATOM 1684 H HB3 . GLU A 1 16 ? -8.183 -3.580 1.989 1.00 0.00 ? 16 GLU A HB3 2 ATOM 1685 H HG2 . GLU A 1 16 ? -9.472 -4.588 4.455 1.00 0.00 ? 16 GLU A HG2 2 ATOM 1686 H HG3 . GLU A 1 16 ? -10.213 -5.017 2.915 1.00 0.00 ? 16 GLU A HG3 2 ATOM 1687 N N . ILE A 1 17 ? -7.890 -0.328 2.706 1.00 0.00 ? 17 ILE A N 2 ATOM 1688 C CA . ILE A 1 17 ? -7.166 0.720 1.994 1.00 0.00 ? 17 ILE A CA 2 ATOM 1689 C C . ILE A 1 17 ? -6.207 1.455 2.931 1.00 0.00 ? 17 ILE A C 2 ATOM 1690 O O . ILE A 1 17 ? -5.115 1.859 2.527 1.00 0.00 ? 17 ILE A O 2 ATOM 1691 C CB . ILE A 1 17 ? -8.142 1.718 1.313 1.00 0.00 ? 17 ILE A CB 2 ATOM 1692 C CG1 . ILE A 1 17 ? -8.634 2.799 2.287 1.00 0.00 ? 17 ILE A CG1 2 ATOM 1693 C CG2 . ILE A 1 17 ? -9.331 0.970 0.730 1.00 0.00 ? 17 ILE A CG2 2 ATOM 1694 C CD1 . ILE A 1 17 ? -7.838 4.084 2.215 1.00 0.00 ? 17 ILE A CD1 2 ATOM 1695 H H . ILE A 1 17 ? -8.843 -0.201 2.908 1.00 0.00 ? 17 ILE A H 2 ATOM 1696 H HA . ILE A 1 17 ? -6.580 0.243 1.220 1.00 0.00 ? 17 ILE A HA 2 ATOM 1697 H HB . ILE A 1 17 ? -7.617 2.192 0.494 1.00 0.00 ? 17 ILE A HB 2 ATOM 1698 H HG12 . ILE A 1 17 ? -9.663 3.034 2.064 1.00 0.00 ? 17 ILE A HG12 2 ATOM 1699 H HG13 . ILE A 1 17 ? -8.567 2.423 3.296 1.00 0.00 ? 17 ILE A HG13 2 ATOM 1700 H HG21 . ILE A 1 17 ? -9.130 -0.091 0.742 1.00 0.00 ? 17 ILE A HG21 2 ATOM 1701 H HG22 . ILE A 1 17 ? -10.210 1.175 1.322 1.00 0.00 ? 17 ILE A HG22 2 ATOM 1702 H HG23 . ILE A 1 17 ? -9.496 1.293 -0.284 1.00 0.00 ? 17 ILE A HG23 2 ATOM 1703 H HD11 . ILE A 1 17 ? -6.874 3.887 1.772 1.00 0.00 ? 17 ILE A HD11 2 ATOM 1704 H HD12 . ILE A 1 17 ? -8.372 4.804 1.610 1.00 0.00 ? 17 ILE A HD12 2 ATOM 1705 H HD13 . ILE A 1 17 ? -7.703 4.481 3.210 1.00 0.00 ? 17 ILE A HD13 2 ATOM 1706 N N . GLU A 1 18 ? -6.622 1.619 4.183 1.00 0.00 ? 18 GLU A N 2 ATOM 1707 C CA . GLU A 1 18 ? -5.800 2.299 5.176 1.00 0.00 ? 18 GLU A CA 2 ATOM 1708 C C . GLU A 1 18 ? -4.664 1.395 5.640 1.00 0.00 ? 18 GLU A C 2 ATOM 1709 O O . GLU A 1 18 ? -3.539 1.850 5.848 1.00 0.00 ? 18 GLU A O 2 ATOM 1710 C CB . GLU A 1 18 ? -6.652 2.724 6.373 1.00 0.00 ? 18 GLU A CB 2 ATOM 1711 C CG . GLU A 1 18 ? -7.811 3.635 6.002 1.00 0.00 ? 18 GLU A CG 2 ATOM 1712 C CD . GLU A 1 18 ? -8.907 3.640 7.050 1.00 0.00 ? 18 GLU A CD 2 ATOM 1713 O OE1 . GLU A 1 18 ? -8.980 2.674 7.838 1.00 0.00 ? 18 GLU A OE1 2 ATOM 1714 O OE2 . GLU A 1 18 ? -9.693 4.610 7.082 1.00 0.00 ? 18 GLU A OE2 2 ATOM 1715 H H . GLU A 1 18 ? -7.500 1.271 4.446 1.00 0.00 ? 18 GLU A H 2 ATOM 1716 H HA . GLU A 1 18 ? -5.378 3.179 4.713 1.00 0.00 ? 18 GLU A HA 2 ATOM 1717 H HB2 . GLU A 1 18 ? -7.055 1.840 6.846 1.00 0.00 ? 18 GLU A HB2 2 ATOM 1718 H HB3 . GLU A 1 18 ? -6.024 3.245 7.081 1.00 0.00 ? 18 GLU A HB3 2 ATOM 1719 H HG2 . GLU A 1 18 ? -7.438 4.642 5.890 1.00 0.00 ? 18 GLU A HG2 2 ATOM 1720 H HG3 . GLU A 1 18 ? -8.229 3.301 5.065 1.00 0.00 ? 18 GLU A HG3 2 ATOM 1721 N N . ARG A 1 19 ? -4.966 0.110 5.795 1.00 0.00 ? 19 ARG A N 2 ATOM 1722 C CA . ARG A 1 19 ? -3.969 -0.858 6.228 1.00 0.00 ? 19 ARG A CA 2 ATOM 1723 C C . ARG A 1 19 ? -2.921 -1.067 5.144 1.00 0.00 ? 19 ARG A C 2 ATOM 1724 O O . ARG A 1 19 ? -1.743 -1.279 5.436 1.00 0.00 ? 19 ARG A O 2 ATOM 1725 C CB . ARG A 1 19 ? -4.636 -2.191 6.576 1.00 0.00 ? 19 ARG A CB 2 ATOM 1726 C CG . ARG A 1 19 ? -5.219 -2.231 7.979 1.00 0.00 ? 19 ARG A CG 2 ATOM 1727 C CD . ARG A 1 19 ? -4.275 -2.914 8.956 1.00 0.00 ? 19 ARG A CD 2 ATOM 1728 N NE . ARG A 1 19 ? -4.991 -3.744 9.920 1.00 0.00 ? 19 ARG A NE 2 ATOM 1729 C CZ . ARG A 1 19 ? -5.712 -4.808 9.582 1.00 0.00 ? 19 ARG A CZ 2 ATOM 1730 N NH1 . ARG A 1 19 ? -5.809 -5.169 8.311 1.00 0.00 ? 19 ARG A NH1 2 ATOM 1731 N NH2 . ARG A 1 19 ? -6.334 -5.513 10.517 1.00 0.00 ? 19 ARG A NH2 2 ATOM 1732 H H . ARG A 1 19 ? -5.879 -0.193 5.609 1.00 0.00 ? 19 ARG A H 2 ATOM 1733 H HA . ARG A 1 19 ? -3.485 -0.466 7.110 1.00 0.00 ? 19 ARG A HA 2 ATOM 1734 H HB2 . ARG A 1 19 ? -5.434 -2.376 5.872 1.00 0.00 ? 19 ARG A HB2 2 ATOM 1735 H HB3 . ARG A 1 19 ? -3.902 -2.980 6.492 1.00 0.00 ? 19 ARG A HB3 2 ATOM 1736 H HG2 . ARG A 1 19 ? -5.397 -1.220 8.314 1.00 0.00 ? 19 ARG A HG2 2 ATOM 1737 H HG3 . ARG A 1 19 ? -6.152 -2.775 7.955 1.00 0.00 ? 19 ARG A HG3 2 ATOM 1738 H HD2 . ARG A 1 19 ? -3.590 -3.535 8.399 1.00 0.00 ? 19 ARG A HD2 2 ATOM 1739 H HD3 . ARG A 1 19 ? -3.720 -2.155 9.489 1.00 0.00 ? 19 ARG A HD3 2 ATOM 1740 H HE . ARG A 1 19 ? -4.931 -3.495 10.866 1.00 0.00 ? 19 ARG A HE 2 ATOM 1741 H HH11 . ARG A 1 19 ? -5.340 -4.641 7.603 1.00 0.00 ? 19 ARG A HH11 2 ATOM 1742 H HH12 . ARG A 1 19 ? -6.352 -5.970 8.058 1.00 0.00 ? 19 ARG A HH12 2 ATOM 1743 H HH21 . ARG A 1 19 ? -6.262 -5.244 11.477 1.00 0.00 ? 19 ARG A HH21 2 ATOM 1744 H HH22 . ARG A 1 19 ? -6.876 -6.314 10.261 1.00 0.00 ? 19 ARG A HH22 2 ATOM 1745 N N . LEU A 1 20 ? -3.352 -0.995 3.889 1.00 0.00 ? 20 LEU A N 2 ATOM 1746 C CA . LEU A 1 20 ? -2.444 -1.166 2.768 1.00 0.00 ? 20 LEU A CA 2 ATOM 1747 C C . LEU A 1 20 ? -1.452 -0.013 2.720 1.00 0.00 ? 20 LEU A C 2 ATOM 1748 O O . LEU A 1 20 ? -0.254 -0.219 2.533 1.00 0.00 ? 20 LEU A O 2 ATOM 1749 C CB . LEU A 1 20 ? -3.224 -1.245 1.454 1.00 0.00 ? 20 LEU A CB 2 ATOM 1750 C CG . LEU A 1 20 ? -2.922 -2.474 0.595 1.00 0.00 ? 20 LEU A CG 2 ATOM 1751 C CD1 . LEU A 1 20 ? -3.802 -2.489 -0.644 1.00 0.00 ? 20 LEU A CD1 2 ATOM 1752 C CD2 . LEU A 1 20 ? -1.451 -2.503 0.207 1.00 0.00 ? 20 LEU A CD2 2 ATOM 1753 H H . LEU A 1 20 ? -4.300 -0.813 3.713 1.00 0.00 ? 20 LEU A H 2 ATOM 1754 H HA . LEU A 1 20 ? -1.902 -2.088 2.915 1.00 0.00 ? 20 LEU A HA 2 ATOM 1755 H HB2 . LEU A 1 20 ? -4.279 -1.243 1.686 1.00 0.00 ? 20 LEU A HB2 2 ATOM 1756 H HB3 . LEU A 1 20 ? -2.999 -0.363 0.871 1.00 0.00 ? 20 LEU A HB3 2 ATOM 1757 H HG . LEU A 1 20 ? -3.136 -3.366 1.166 1.00 0.00 ? 20 LEU A HG 2 ATOM 1758 H HD11 . LEU A 1 20 ? -4.754 -2.032 -0.416 1.00 0.00 ? 20 LEU A HD11 2 ATOM 1759 H HD12 . LEU A 1 20 ? -3.319 -1.936 -1.437 1.00 0.00 ? 20 LEU A HD12 2 ATOM 1760 H HD13 . LEU A 1 20 ? -3.960 -3.509 -0.961 1.00 0.00 ? 20 LEU A HD13 2 ATOM 1761 H HD21 . LEU A 1 20 ? -0.883 -1.906 0.905 1.00 0.00 ? 20 LEU A HD21 2 ATOM 1762 H HD22 . LEU A 1 20 ? -1.093 -3.521 0.230 1.00 0.00 ? 20 LEU A HD22 2 ATOM 1763 H HD23 . LEU A 1 20 ? -1.334 -2.102 -0.789 1.00 0.00 ? 20 LEU A HD23 2 ATOM 1764 N N . GLN A 1 21 ? -1.963 1.203 2.894 1.00 0.00 ? 21 GLN A N 2 ATOM 1765 C CA . GLN A 1 21 ? -1.125 2.395 2.876 1.00 0.00 ? 21 GLN A CA 2 ATOM 1766 C C . GLN A 1 21 ? -0.016 2.293 3.916 1.00 0.00 ? 21 GLN A C 2 ATOM 1767 O O . GLN A 1 21 ? 1.141 2.605 3.637 1.00 0.00 ? 21 GLN A O 2 ATOM 1768 C CB . GLN A 1 21 ? -1.972 3.644 3.136 1.00 0.00 ? 21 GLN A CB 2 ATOM 1769 C CG . GLN A 1 21 ? -1.175 4.938 3.099 1.00 0.00 ? 21 GLN A CG 2 ATOM 1770 C CD . GLN A 1 21 ? -2.021 6.130 2.698 1.00 0.00 ? 21 GLN A CD 2 ATOM 1771 O OE1 . GLN A 1 21 ? -2.456 6.911 3.544 1.00 0.00 ? 21 GLN A OE1 2 ATOM 1772 N NE2 . GLN A 1 21 ? -2.259 6.277 1.399 1.00 0.00 ? 21 GLN A NE2 2 ATOM 1773 H H . GLN A 1 21 ? -2.928 1.299 3.042 1.00 0.00 ? 21 GLN A H 2 ATOM 1774 H HA . GLN A 1 21 ? -0.678 2.472 1.896 1.00 0.00 ? 21 GLN A HA 2 ATOM 1775 H HB2 . GLN A 1 21 ? -2.747 3.701 2.386 1.00 0.00 ? 21 GLN A HB2 2 ATOM 1776 H HB3 . GLN A 1 21 ? -2.431 3.556 4.109 1.00 0.00 ? 21 GLN A HB3 2 ATOM 1777 H HG2 . GLN A 1 21 ? -0.765 5.121 4.081 1.00 0.00 ? 21 GLN A HG2 2 ATOM 1778 H HG3 . GLN A 1 21 ? -0.370 4.829 2.388 1.00 0.00 ? 21 GLN A HG3 2 ATOM 1779 H HE21 . GLN A 1 21 ? -1.882 5.616 0.782 1.00 0.00 ? 21 GLN A HE21 2 ATOM 1780 H HE22 . GLN A 1 21 ? -2.803 7.040 1.112 1.00 0.00 ? 21 GLN A HE22 2 ATOM 1781 N N . LYS A 1 22 ? -0.374 1.853 5.117 1.00 0.00 ? 22 LYS A N 2 ATOM 1782 C CA . LYS A 1 22 ? 0.596 1.708 6.195 1.00 0.00 ? 22 LYS A CA 2 ATOM 1783 C C . LYS A 1 22 ? 1.675 0.698 5.818 1.00 0.00 ? 22 LYS A C 2 ATOM 1784 O O . LYS A 1 22 ? 2.841 0.855 6.178 1.00 0.00 ? 22 LYS A O 2 ATOM 1785 C CB . LYS A 1 22 ? -0.100 1.272 7.485 1.00 0.00 ? 22 LYS A CB 2 ATOM 1786 C CG . LYS A 1 22 ? 0.845 1.119 8.665 1.00 0.00 ? 22 LYS A CG 2 ATOM 1787 C CD . LYS A 1 22 ? 0.701 -0.245 9.321 1.00 0.00 ? 22 LYS A CD 2 ATOM 1788 C CE . LYS A 1 22 ? 1.591 -1.280 8.654 1.00 0.00 ? 22 LYS A CE 2 ATOM 1789 N NZ . LYS A 1 22 ? 1.483 -2.612 9.311 1.00 0.00 ? 22 LYS A NZ 2 ATOM 1790 H H . LYS A 1 22 ? -1.312 1.617 5.283 1.00 0.00 ? 22 LYS A H 2 ATOM 1791 H HA . LYS A 1 22 ? 1.061 2.671 6.353 1.00 0.00 ? 22 LYS A HA 2 ATOM 1792 H HB2 . LYS A 1 22 ? -0.848 2.008 7.744 1.00 0.00 ? 22 LYS A HB2 2 ATOM 1793 H HB3 . LYS A 1 22 ? -0.586 0.323 7.315 1.00 0.00 ? 22 LYS A HB3 2 ATOM 1794 H HG2 . LYS A 1 22 ? 1.861 1.235 8.318 1.00 0.00 ? 22 LYS A HG2 2 ATOM 1795 H HG3 . LYS A 1 22 ? 0.622 1.885 9.394 1.00 0.00 ? 22 LYS A HG3 2 ATOM 1796 H HD2 . LYS A 1 22 ? 0.978 -0.164 10.362 1.00 0.00 ? 22 LYS A HD2 2 ATOM 1797 H HD3 . LYS A 1 22 ? -0.329 -0.564 9.243 1.00 0.00 ? 22 LYS A HD3 2 ATOM 1798 H HE2 . LYS A 1 22 ? 1.298 -1.375 7.619 1.00 0.00 ? 22 LYS A HE2 2 ATOM 1799 H HE3 . LYS A 1 22 ? 2.617 -0.943 8.708 1.00 0.00 ? 22 LYS A HE3 2 ATOM 1800 H HZ1 . LYS A 1 22 ? 0.897 -2.542 10.167 1.00 0.00 ? 22 LYS A HZ1 2 ATOM 1801 H HZ2 . LYS A 1 22 ? 1.048 -3.297 8.661 1.00 0.00 ? 22 LYS A HZ2 2 ATOM 1802 H HZ3 . LYS A 1 22 ? 2.427 -2.956 9.579 1.00 0.00 ? 22 LYS A HZ3 2 ATOM 1803 N N . GLU A 1 23 ? 1.275 -0.339 5.091 1.00 0.00 ? 23 GLU A N 2 ATOM 1804 C CA . GLU A 1 23 ? 2.206 -1.377 4.664 1.00 0.00 ? 23 GLU A CA 2 ATOM 1805 C C . GLU A 1 23 ? 3.237 -0.823 3.683 1.00 0.00 ? 23 GLU A C 2 ATOM 1806 O O . GLU A 1 23 ? 4.416 -1.181 3.739 1.00 0.00 ? 23 GLU A O 2 ATOM 1807 C CB . GLU A 1 23 ? 1.446 -2.538 4.019 1.00 0.00 ? 23 GLU A CB 2 ATOM 1808 C CG . GLU A 1 23 ? 2.310 -3.763 3.762 1.00 0.00 ? 23 GLU A CG 2 ATOM 1809 C CD . GLU A 1 23 ? 1.727 -5.024 4.369 1.00 0.00 ? 23 GLU A CD 2 ATOM 1810 O OE1 . GLU A 1 23 ? 1.194 -4.949 5.496 1.00 0.00 ? 23 GLU A OE1 2 ATOM 1811 O OE2 . GLU A 1 23 ? 1.804 -6.087 3.717 1.00 0.00 ? 23 GLU A OE2 2 ATOM 1812 H H . GLU A 1 23 ? 0.330 -0.410 4.836 1.00 0.00 ? 23 GLU A H 2 ATOM 1813 H HA . GLU A 1 23 ? 2.720 -1.741 5.540 1.00 0.00 ? 23 GLU A HA 2 ATOM 1814 H HB2 . GLU A 1 23 ? 0.633 -2.826 4.669 1.00 0.00 ? 23 GLU A HB2 2 ATOM 1815 H HB3 . GLU A 1 23 ? 1.040 -2.206 3.074 1.00 0.00 ? 23 GLU A HB3 2 ATOM 1816 H HG2 . GLU A 1 23 ? 2.402 -3.905 2.696 1.00 0.00 ? 23 GLU A HG2 2 ATOM 1817 H HG3 . GLU A 1 23 ? 3.287 -3.594 4.189 1.00 0.00 ? 23 GLU A HG3 2 ATOM 1818 N N . ILE A 1 24 ? 2.791 0.053 2.788 1.00 0.00 ? 24 ILE A N 2 ATOM 1819 C CA . ILE A 1 24 ? 3.690 0.649 1.803 1.00 0.00 ? 24 ILE A CA 2 ATOM 1820 C C . ILE A 1 24 ? 4.767 1.478 2.506 1.00 0.00 ? 24 ILE A C 2 ATOM 1821 O O . ILE A 1 24 ? 5.938 1.447 2.128 1.00 0.00 ? 24 ILE A O 2 ATOM 1822 C CB . ILE A 1 24 ? 2.928 1.505 0.739 1.00 0.00 ? 24 ILE A CB 2 ATOM 1823 C CG1 . ILE A 1 24 ? 2.841 2.988 1.129 1.00 0.00 ? 24 ILE A CG1 2 ATOM 1824 C CG2 . ILE A 1 24 ? 1.529 0.952 0.500 1.00 0.00 ? 24 ILE A CG2 2 ATOM 1825 C CD1 . ILE A 1 24 ? 4.078 3.774 0.746 1.00 0.00 ? 24 ILE A CD1 2 ATOM 1826 H H . ILE A 1 24 ? 1.845 0.305 2.794 1.00 0.00 ? 24 ILE A H 2 ATOM 1827 H HA . ILE A 1 24 ? 4.178 -0.166 1.284 1.00 0.00 ? 24 ILE A HA 2 ATOM 1828 H HB . ILE A 1 24 ? 3.470 1.424 -0.193 1.00 0.00 ? 24 ILE A HB 2 ATOM 1829 H HG12 . ILE A 1 24 ? 1.995 3.438 0.632 1.00 0.00 ? 24 ILE A HG12 2 ATOM 1830 H HG13 . ILE A 1 24 ? 2.713 3.068 2.197 1.00 0.00 ? 24 ILE A HG13 2 ATOM 1831 H HG21 . ILE A 1 24 ? 1.580 -0.120 0.382 1.00 0.00 ? 24 ILE A HG21 2 ATOM 1832 H HG22 . ILE A 1 24 ? 0.900 1.191 1.342 1.00 0.00 ? 24 ILE A HG22 2 ATOM 1833 H HG23 . ILE A 1 24 ? 1.115 1.392 -0.394 1.00 0.00 ? 24 ILE A HG23 2 ATOM 1834 H HD11 . ILE A 1 24 ? 4.788 3.114 0.266 1.00 0.00 ? 24 ILE A HD11 2 ATOM 1835 H HD12 . ILE A 1 24 ? 3.805 4.566 0.064 1.00 0.00 ? 24 ILE A HD12 2 ATOM 1836 H HD13 . ILE A 1 24 ? 4.522 4.199 1.633 1.00 0.00 ? 24 ILE A HD13 2 ATOM 1837 N N . GLU A 1 25 ? 4.354 2.212 3.537 1.00 0.00 ? 25 GLU A N 2 ATOM 1838 C CA . GLU A 1 25 ? 5.275 3.041 4.302 1.00 0.00 ? 25 GLU A CA 2 ATOM 1839 C C . GLU A 1 25 ? 6.362 2.183 4.932 1.00 0.00 ? 25 GLU A C 2 ATOM 1840 O O . GLU A 1 25 ? 7.536 2.551 4.936 1.00 0.00 ? 25 GLU A O 2 ATOM 1841 C CB . GLU A 1 25 ? 4.520 3.813 5.387 1.00 0.00 ? 25 GLU A CB 2 ATOM 1842 C CG . GLU A 1 25 ? 4.478 5.314 5.148 1.00 0.00 ? 25 GLU A CG 2 ATOM 1843 C CD . GLU A 1 25 ? 3.164 5.770 4.545 1.00 0.00 ? 25 GLU A CD 2 ATOM 1844 O OE1 . GLU A 1 25 ? 2.115 5.193 4.900 1.00 0.00 ? 25 GLU A OE1 2 ATOM 1845 O OE2 . GLU A 1 25 ? 3.183 6.707 3.718 1.00 0.00 ? 25 GLU A OE2 2 ATOM 1846 H H . GLU A 1 25 ? 3.407 2.188 3.792 1.00 0.00 ? 25 GLU A H 2 ATOM 1847 H HA . GLU A 1 25 ? 5.733 3.744 3.622 1.00 0.00 ? 25 GLU A HA 2 ATOM 1848 H HB2 . GLU A 1 25 ? 3.505 3.449 5.432 1.00 0.00 ? 25 GLU A HB2 2 ATOM 1849 H HB3 . GLU A 1 25 ? 5.001 3.636 6.338 1.00 0.00 ? 25 GLU A HB3 2 ATOM 1850 H HG2 . GLU A 1 25 ? 4.619 5.820 6.090 1.00 0.00 ? 25 GLU A HG2 2 ATOM 1851 H HG3 . GLU A 1 25 ? 5.279 5.580 4.473 1.00 0.00 ? 25 GLU A HG3 2 ATOM 1852 N N . ARG A 1 26 ? 5.963 1.027 5.456 1.00 0.00 ? 26 ARG A N 2 ATOM 1853 C CA . ARG A 1 26 ? 6.907 0.108 6.078 1.00 0.00 ? 26 ARG A CA 2 ATOM 1854 C C . ARG A 1 26 ? 8.013 -0.248 5.094 1.00 0.00 ? 26 ARG A C 2 ATOM 1855 O O . ARG A 1 26 ? 9.196 -0.242 5.439 1.00 0.00 ? 26 ARG A O 2 ATOM 1856 C CB . ARG A 1 26 ? 6.190 -1.159 6.546 1.00 0.00 ? 26 ARG A CB 2 ATOM 1857 C CG . ARG A 1 26 ? 5.703 -1.087 7.983 1.00 0.00 ? 26 ARG A CG 2 ATOM 1858 C CD . ARG A 1 26 ? 6.728 -1.660 8.949 1.00 0.00 ? 26 ARG A CD 2 ATOM 1859 N NE . ARG A 1 26 ? 6.099 -2.341 10.076 1.00 0.00 ? 26 ARG A NE 2 ATOM 1860 C CZ . ARG A 1 26 ? 6.761 -2.747 11.154 1.00 0.00 ? 26 ARG A CZ 2 ATOM 1861 N NH1 . ARG A 1 26 ? 8.068 -2.541 11.248 1.00 0.00 ? 26 ARG A NH1 2 ATOM 1862 N NH2 . ARG A 1 26 ? 6.117 -3.360 12.138 1.00 0.00 ? 26 ARG A NH2 2 ATOM 1863 H H . ARG A 1 26 ? 5.014 0.785 5.417 1.00 0.00 ? 26 ARG A H 2 ATOM 1864 H HA . ARG A 1 26 ? 7.344 0.605 6.932 1.00 0.00 ? 26 ARG A HA 2 ATOM 1865 H HB2 . ARG A 1 26 ? 5.337 -1.333 5.907 1.00 0.00 ? 26 ARG A HB2 2 ATOM 1866 H HB3 . ARG A 1 26 ? 6.869 -1.995 6.460 1.00 0.00 ? 26 ARG A HB3 2 ATOM 1867 H HG2 . ARG A 1 26 ? 5.520 -0.054 8.241 1.00 0.00 ? 26 ARG A HG2 2 ATOM 1868 H HG3 . ARG A 1 26 ? 4.785 -1.650 8.071 1.00 0.00 ? 26 ARG A HG3 2 ATOM 1869 H HD2 . ARG A 1 26 ? 7.349 -2.365 8.417 1.00 0.00 ? 26 ARG A HD2 2 ATOM 1870 H HD3 . ARG A 1 26 ? 7.341 -0.853 9.324 1.00 0.00 ? 26 ARG A HD3 2 ATOM 1871 H HE . ARG A 1 26 ? 5.133 -2.503 10.027 1.00 0.00 ? 26 ARG A HE 2 ATOM 1872 H HH11 . ARG A 1 26 ? 8.556 -2.080 10.508 1.00 0.00 ? 26 ARG A HH11 2 ATOM 1873 H HH12 . ARG A 1 26 ? 8.565 -2.848 12.060 1.00 0.00 ? 26 ARG A HH12 2 ATOM 1874 H HH21 . ARG A 1 26 ? 5.132 -3.516 12.070 1.00 0.00 ? 26 ARG A HH21 2 ATOM 1875 H HH22 . ARG A 1 26 ? 6.618 -3.665 12.948 1.00 0.00 ? 26 ARG A HH22 2 ATOM 1876 N N . HIS A 1 27 ? 7.620 -0.544 3.858 1.00 0.00 ? 27 HIS A N 2 ATOM 1877 C CA . HIS A 1 27 ? 8.579 -0.888 2.819 1.00 0.00 ? 27 HIS A CA 2 ATOM 1878 C C . HIS A 1 27 ? 9.458 0.315 2.499 1.00 0.00 ? 27 HIS A C 2 ATOM 1879 O O . HIS A 1 27 ? 10.607 0.167 2.082 1.00 0.00 ? 27 HIS A O 2 ATOM 1880 C CB . HIS A 1 27 ? 7.853 -1.358 1.559 1.00 0.00 ? 27 HIS A CB 2 ATOM 1881 C CG . HIS A 1 27 ? 8.287 -2.713 1.090 1.00 0.00 ? 27 HIS A CG 2 ATOM 1882 N ND1 . HIS A 1 27 ? 9.340 -2.908 0.222 1.00 0.00 ? 27 HIS A ND1 2 ATOM 1883 C CD2 . HIS A 1 27 ? 7.802 -3.946 1.374 1.00 0.00 ? 27 HIS A CD2 2 ATOM 1884 C CE1 . HIS A 1 27 ? 9.484 -4.201 -0.009 1.00 0.00 ? 27 HIS A CE1 2 ATOM 1885 N NE2 . HIS A 1 27 ? 8.564 -4.851 0.679 1.00 0.00 ? 27 HIS A NE2 2 ATOM 1886 H H . HIS A 1 27 ? 6.664 -0.520 3.638 1.00 0.00 ? 27 HIS A H 2 ATOM 1887 H HA . HIS A 1 27 ? 9.202 -1.688 3.190 1.00 0.00 ? 27 HIS A HA 2 ATOM 1888 H HB2 . HIS A 1 27 ? 6.793 -1.400 1.757 1.00 0.00 ? 27 HIS A HB2 2 ATOM 1889 H HB3 . HIS A 1 27 ? 8.038 -0.655 0.761 1.00 0.00 ? 27 HIS A HB3 2 ATOM 1890 H HD1 . HIS A 1 27 ? 9.898 -2.204 -0.169 1.00 0.00 ? 27 HIS A HD1 2 ATOM 1891 H HD2 . HIS A 1 27 ? 6.971 -4.172 2.028 1.00 0.00 ? 27 HIS A HD2 2 ATOM 1892 H HE1 . HIS A 1 27 ? 10.229 -4.651 -0.649 1.00 0.00 ? 27 HIS A HE1 2 ATOM 1893 H HE2 . HIS A 1 27 ? 8.447 -5.824 0.691 1.00 0.00 ? 27 HIS A HE2 2 ATOM 1894 N N . LYS A 1 28 ? 8.907 1.508 2.703 1.00 0.00 ? 28 LYS A N 2 ATOM 1895 C CA . LYS A 1 28 ? 9.634 2.746 2.447 1.00 0.00 ? 28 LYS A CA 2 ATOM 1896 C C . LYS A 1 28 ? 10.669 3.003 3.537 1.00 0.00 ? 28 LYS A C 2 ATOM 1897 O O . LYS A 1 28 ? 11.650 3.714 3.317 1.00 0.00 ? 28 LYS A O 2 ATOM 1898 C CB . LYS A 1 28 ? 8.662 3.925 2.363 1.00 0.00 ? 28 LYS A CB 2 ATOM 1899 C CG . LYS A 1 28 ? 9.261 5.163 1.716 1.00 0.00 ? 28 LYS A CG 2 ATOM 1900 C CD . LYS A 1 28 ? 8.848 6.429 2.448 1.00 0.00 ? 28 LYS A CD 2 ATOM 1901 C CE . LYS A 1 28 ? 9.831 6.781 3.553 1.00 0.00 ? 28 LYS A CE 2 ATOM 1902 N NZ . LYS A 1 28 ? 10.059 8.249 3.647 1.00 0.00 ? 28 LYS A NZ 2 ATOM 1903 H H . LYS A 1 28 ? 7.988 1.557 3.040 1.00 0.00 ? 28 LYS A H 2 ATOM 1904 H HA . LYS A 1 28 ? 10.142 2.644 1.501 1.00 0.00 ? 28 LYS A HA 2 ATOM 1905 H HB2 . LYS A 1 28 ? 7.799 3.625 1.787 1.00 0.00 ? 28 LYS A HB2 2 ATOM 1906 H HB3 . LYS A 1 28 ? 8.343 4.185 3.361 1.00 0.00 ? 28 LYS A HB3 2 ATOM 1907 H HG2 . LYS A 1 28 ? 10.338 5.083 1.737 1.00 0.00 ? 28 LYS A HG2 2 ATOM 1908 H HG3 . LYS A 1 28 ? 8.922 5.222 0.692 1.00 0.00 ? 28 LYS A HG3 2 ATOM 1909 H HD2 . LYS A 1 28 ? 8.808 7.245 1.742 1.00 0.00 ? 28 LYS A HD2 2 ATOM 1910 H HD3 . LYS A 1 28 ? 7.870 6.278 2.882 1.00 0.00 ? 28 LYS A HD3 2 ATOM 1911 H HE2 . LYS A 1 28 ? 9.438 6.424 4.494 1.00 0.00 ? 28 LYS A HE2 2 ATOM 1912 H HE3 . LYS A 1 28 ? 10.772 6.291 3.347 1.00 0.00 ? 28 LYS A HE3 2 ATOM 1913 H HZ1 . LYS A 1 28 ? 9.162 8.759 3.512 1.00 0.00 ? 28 LYS A HZ1 2 ATOM 1914 H HZ2 . LYS A 1 28 ? 10.445 8.491 4.582 1.00 0.00 ? 28 LYS A HZ2 2 ATOM 1915 H HZ3 . LYS A 1 28 ? 10.732 8.554 2.916 1.00 0.00 ? 28 LYS A HZ3 2 ATOM 1916 N N . GLN A 1 29 ? 10.446 2.421 4.711 1.00 0.00 ? 29 GLN A N 2 ATOM 1917 C CA . GLN A 1 29 ? 11.363 2.586 5.831 1.00 0.00 ? 29 GLN A CA 2 ATOM 1918 C C . GLN A 1 29 ? 12.557 1.649 5.694 1.00 0.00 ? 29 GLN A C 2 ATOM 1919 O O . GLN A 1 29 ? 13.675 1.992 6.076 1.00 0.00 ? 29 GLN A O 2 ATOM 1920 C CB . GLN A 1 29 ? 10.642 2.322 7.154 1.00 0.00 ? 29 GLN A CB 2 ATOM 1921 C CG . GLN A 1 29 ? 11.565 2.326 8.361 1.00 0.00 ? 29 GLN A CG 2 ATOM 1922 C CD . GLN A 1 29 ? 10.807 2.350 9.674 1.00 0.00 ? 29 GLN A CD 2 ATOM 1923 O OE1 . GLN A 1 29 ? 10.246 1.340 10.100 1.00 0.00 ? 29 GLN A OE1 2 ATOM 1924 N NE2 . GLN A 1 29 ? 10.787 3.508 10.324 1.00 0.00 ? 29 GLN A NE2 2 ATOM 1925 H H . GLN A 1 29 ? 9.648 1.865 4.827 1.00 0.00 ? 29 GLN A H 2 ATOM 1926 H HA . GLN A 1 29 ? 11.719 3.605 5.821 1.00 0.00 ? 29 GLN A HA 2 ATOM 1927 H HB2 . GLN A 1 29 ? 9.891 3.085 7.299 1.00 0.00 ? 29 GLN A HB2 2 ATOM 1928 H HB3 . GLN A 1 29 ? 10.157 1.359 7.100 1.00 0.00 ? 29 GLN A HB3 2 ATOM 1929 H HG2 . GLN A 1 29 ? 12.177 1.436 8.333 1.00 0.00 ? 29 GLN A HG2 2 ATOM 1930 H HG3 . GLN A 1 29 ? 12.199 3.199 8.311 1.00 0.00 ? 29 GLN A HG3 2 ATOM 1931 H HE21 . GLN A 1 29 ? 11.255 4.271 9.926 1.00 0.00 ? 29 GLN A HE21 2 ATOM 1932 H HE22 . GLN A 1 29 ? 10.304 3.552 11.177 1.00 0.00 ? 29 GLN A HE22 2 ATOM 1933 N N . SER A 1 30 ? 12.314 0.465 5.142 1.00 0.00 ? 30 SER A N 2 ATOM 1934 C CA . SER A 1 30 ? 13.375 -0.517 4.950 1.00 0.00 ? 30 SER A CA 2 ATOM 1935 C C . SER A 1 30 ? 14.243 -0.141 3.755 1.00 0.00 ? 30 SER A C 2 ATOM 1936 O O . SER A 1 30 ? 15.458 -0.340 3.768 1.00 0.00 ? 30 SER A O 2 ATOM 1937 C CB . SER A 1 30 ? 12.781 -1.913 4.749 1.00 0.00 ? 30 SER A CB 2 ATOM 1938 O OG . SER A 1 30 ? 12.762 -2.643 5.964 1.00 0.00 ? 30 SER A OG 2 ATOM 1939 H H . SER A 1 30 ? 11.400 0.248 4.855 1.00 0.00 ? 30 SER A H 2 ATOM 1940 H HA . SER A 1 30 ? 13.989 -0.519 5.839 1.00 0.00 ? 30 SER A HA 2 ATOM 1941 H HB2 . SER A 1 30 ? 11.770 -1.823 4.381 1.00 0.00 ? 30 SER A HB2 2 ATOM 1942 H HB3 . SER A 1 30 ? 13.378 -2.455 4.028 1.00 0.00 ? 30 SER A HB3 2 ATOM 1943 H HG . SER A 1 30 ? 12.640 -2.038 6.700 1.00 0.00 ? 30 SER A HG 2 ATOM 1944 N N . ILE A 1 31 ? 13.610 0.408 2.724 1.00 0.00 ? 31 ILE A N 2 ATOM 1945 C CA . ILE A 1 31 ? 14.322 0.820 1.522 1.00 0.00 ? 31 ILE A CA 2 ATOM 1946 C C . ILE A 1 31 ? 15.045 2.143 1.746 1.00 0.00 ? 31 ILE A C 2 ATOM 1947 O O . ILE A 1 31 ? 16.127 2.371 1.205 1.00 0.00 ? 31 ILE A O 2 ATOM 1948 C CB . ILE A 1 31 ? 13.365 0.962 0.322 1.00 0.00 ? 31 ILE A CB 2 ATOM 1949 C CG1 . ILE A 1 31 ? 14.173 1.211 -0.972 1.00 0.00 ? 31 ILE A CG1 2 ATOM 1950 C CG2 . ILE A 1 31 ? 12.336 2.056 0.594 1.00 0.00 ? 31 ILE A CG2 2 ATOM 1951 C CD1 . ILE A 1 31 ? 14.136 2.633 -1.505 1.00 0.00 ? 31 ILE A CD1 2 ATOM 1952 H H . ILE A 1 31 ? 12.642 0.545 2.775 1.00 0.00 ? 31 ILE A H 2 ATOM 1953 H HA . ILE A 1 31 ? 15.051 0.057 1.288 1.00 0.00 ? 31 ILE A HA 2 ATOM 1954 H HB . ILE A 1 31 ? 12.827 0.031 0.218 1.00 0.00 ? 31 ILE A HB 2 ATOM 1955 H HG12 . ILE A 1 31 ? 15.207 0.964 -0.787 1.00 0.00 ? 31 ILE A HG12 2 ATOM 1956 H HG13 . ILE A 1 31 ? 13.794 0.560 -1.745 1.00 0.00 ? 31 ILE A HG13 2 ATOM 1957 H HG21 . ILE A 1 31 ? 11.953 1.946 1.598 1.00 0.00 ? 31 ILE A HG21 2 ATOM 1958 H HG22 . ILE A 1 31 ? 12.803 3.024 0.492 1.00 0.00 ? 31 ILE A HG22 2 ATOM 1959 H HG23 . ILE A 1 31 ? 11.524 1.972 -0.112 1.00 0.00 ? 31 ILE A HG23 2 ATOM 1960 H HD11 . ILE A 1 31 ? 14.289 3.326 -0.693 1.00 0.00 ? 31 ILE A HD11 2 ATOM 1961 H HD12 . ILE A 1 31 ? 14.916 2.760 -2.241 1.00 0.00 ? 31 ILE A HD12 2 ATOM 1962 H HD13 . ILE A 1 31 ? 13.176 2.818 -1.963 1.00 0.00 ? 31 ILE A HD13 2 ATOM 1963 N N . LYS A 1 32 ? 14.443 3.008 2.557 1.00 0.00 ? 32 LYS A N 2 ATOM 1964 C CA . LYS A 1 32 ? 15.035 4.304 2.861 1.00 0.00 ? 32 LYS A CA 2 ATOM 1965 C C . LYS A 1 32 ? 16.162 4.150 3.875 1.00 0.00 ? 32 LYS A C 2 ATOM 1966 O O . LYS A 1 32 ? 17.121 4.922 3.875 1.00 0.00 ? 32 LYS A O 2 ATOM 1967 C CB . LYS A 1 32 ? 13.972 5.266 3.397 1.00 0.00 ? 32 LYS A CB 2 ATOM 1968 C CG . LYS A 1 32 ? 13.507 4.938 4.806 1.00 0.00 ? 32 LYS A CG 2 ATOM 1969 C CD . LYS A 1 32 ? 14.301 5.708 5.849 1.00 0.00 ? 32 LYS A CD 2 ATOM 1970 C CE . LYS A 1 32 ? 13.408 6.641 6.652 1.00 0.00 ? 32 LYS A CE 2 ATOM 1971 N NZ . LYS A 1 32 ? 14.113 7.200 7.838 1.00 0.00 ? 32 LYS A NZ 2 ATOM 1972 H H . LYS A 1 32 ? 13.586 2.765 2.966 1.00 0.00 ? 32 LYS A H 2 ATOM 1973 H HA . LYS A 1 32 ? 15.443 4.705 1.945 1.00 0.00 ? 32 LYS A HA 2 ATOM 1974 H HB2 . LYS A 1 32 ? 14.378 6.267 3.400 1.00 0.00 ? 32 LYS A HB2 2 ATOM 1975 H HB3 . LYS A 1 32 ? 13.114 5.237 2.742 1.00 0.00 ? 32 LYS A HB3 2 ATOM 1976 H HG2 . LYS A 1 32 ? 12.463 5.197 4.900 1.00 0.00 ? 32 LYS A HG2 2 ATOM 1977 H HG3 . LYS A 1 32 ? 13.634 3.880 4.979 1.00 0.00 ? 32 LYS A HG3 2 ATOM 1978 H HD2 . LYS A 1 32 ? 14.769 5.006 6.523 1.00 0.00 ? 32 LYS A HD2 2 ATOM 1979 H HD3 . LYS A 1 32 ? 15.061 6.292 5.350 1.00 0.00 ? 32 LYS A HD3 2 ATOM 1980 H HE2 . LYS A 1 32 ? 13.095 7.454 6.014 1.00 0.00 ? 32 LYS A HE2 2 ATOM 1981 H HE3 . LYS A 1 32 ? 12.541 6.090 6.984 1.00 0.00 ? 32 LYS A HE3 2 ATOM 1982 H HZ1 . LYS A 1 32 ? 15.042 7.572 7.560 1.00 0.00 ? 32 LYS A HZ1 2 ATOM 1983 H HZ2 . LYS A 1 32 ? 13.553 7.972 8.255 1.00 0.00 ? 32 LYS A HZ2 2 ATOM 1984 H HZ3 . LYS A 1 32 ? 14.250 6.459 8.555 1.00 0.00 ? 32 LYS A HZ3 2 ATOM 1985 N N . LYS A 1 33 ? 16.043 3.141 4.733 1.00 0.00 ? 33 LYS A N 2 ATOM 1986 C CA . LYS A 1 33 ? 17.056 2.878 5.745 1.00 0.00 ? 33 LYS A CA 2 ATOM 1987 C C . LYS A 1 33 ? 18.295 2.264 5.107 1.00 0.00 ? 33 LYS A C 2 ATOM 1988 O O . LYS A 1 33 ? 19.423 2.559 5.503 1.00 0.00 ? 33 LYS A O 2 ATOM 1989 C CB . LYS A 1 33 ? 16.504 1.946 6.825 1.00 0.00 ? 33 LYS A CB 2 ATOM 1990 C CG . LYS A 1 33 ? 17.549 1.496 7.833 1.00 0.00 ? 33 LYS A CG 2 ATOM 1991 C CD . LYS A 1 33 ? 16.983 1.455 9.242 1.00 0.00 ? 33 LYS A CD 2 ATOM 1992 C CE . LYS A 1 33 ? 17.447 2.647 10.063 1.00 0.00 ? 33 LYS A CE 2 ATOM 1993 N NZ . LYS A 1 33 ? 17.672 2.285 11.490 1.00 0.00 ? 33 LYS A NZ 2 ATOM 1994 H H . LYS A 1 33 ? 15.259 2.556 4.677 1.00 0.00 ? 33 LYS A H 2 ATOM 1995 H HA . LYS A 1 33 ? 17.328 3.821 6.196 1.00 0.00 ? 33 LYS A HA 2 ATOM 1996 H HB2 . LYS A 1 33 ? 15.718 2.458 7.359 1.00 0.00 ? 33 LYS A HB2 2 ATOM 1997 H HB3 . LYS A 1 33 ? 16.092 1.069 6.349 1.00 0.00 ? 33 LYS A HB3 2 ATOM 1998 H HG2 . LYS A 1 33 ? 17.892 0.507 7.564 1.00 0.00 ? 33 LYS A HG2 2 ATOM 1999 H HG3 . LYS A 1 33 ? 18.380 2.185 7.807 1.00 0.00 ? 33 LYS A HG3 2 ATOM 2000 H HD2 . LYS A 1 33 ? 15.904 1.467 9.187 1.00 0.00 ? 33 LYS A HD2 2 ATOM 2001 H HD3 . LYS A 1 33 ? 17.310 0.546 9.726 1.00 0.00 ? 33 LYS A HD3 2 ATOM 2002 H HE2 . LYS A 1 33 ? 18.370 3.019 9.645 1.00 0.00 ? 33 LYS A HE2 2 ATOM 2003 H HE3 . LYS A 1 33 ? 16.693 3.419 10.011 1.00 0.00 ? 33 LYS A HE3 2 ATOM 2004 H HZ1 . LYS A 1 33 ? 17.121 1.438 11.735 1.00 0.00 ? 33 LYS A HZ1 2 ATOM 2005 H HZ2 . LYS A 1 33 ? 18.680 2.088 11.654 1.00 0.00 ? 33 LYS A HZ2 2 ATOM 2006 H HZ3 . LYS A 1 33 ? 17.379 3.068 12.109 1.00 0.00 ? 33 LYS A HZ3 2 ATOM 2007 N N . LEU A 1 34 ? 18.077 1.413 4.110 1.00 0.00 ? 34 LEU A N 2 ATOM 2008 C CA . LEU A 1 34 ? 19.175 0.764 3.409 1.00 0.00 ? 34 LEU A CA 2 ATOM 2009 C C . LEU A 1 34 ? 19.980 1.789 2.617 1.00 0.00 ? 34 LEU A C 2 ATOM 2010 O O . LEU A 1 34 ? 21.211 1.765 2.621 1.00 0.00 ? 34 LEU A O 2 ATOM 2011 C CB . LEU A 1 34 ? 18.643 -0.326 2.475 1.00 0.00 ? 34 LEU A CB 2 ATOM 2012 C CG . LEU A 1 34 ? 19.081 -1.749 2.828 1.00 0.00 ? 34 LEU A CG 2 ATOM 2013 C CD1 . LEU A 1 34 ? 18.363 -2.761 1.949 1.00 0.00 ? 34 LEU A CD1 2 ATOM 2014 C CD2 . LEU A 1 34 ? 20.588 -1.892 2.688 1.00 0.00 ? 34 LEU A CD2 2 ATOM 2015 H H . LEU A 1 34 ? 17.155 1.223 3.835 1.00 0.00 ? 34 LEU A H 2 ATOM 2016 H HA . LEU A 1 34 ? 19.820 0.311 4.148 1.00 0.00 ? 34 LEU A HA 2 ATOM 2017 H HB2 . LEU A 1 34 ? 17.563 -0.288 2.492 1.00 0.00 ? 34 LEU A HB2 2 ATOM 2018 H HB3 . LEU A 1 34 ? 18.978 -0.108 1.472 1.00 0.00 ? 34 LEU A HB3 2 ATOM 2019 H HG . LEU A 1 34 ? 18.818 -1.955 3.855 1.00 0.00 ? 34 LEU A HG 2 ATOM 2020 H HD11 . LEU A 1 34 ? 17.314 -2.509 1.891 1.00 0.00 ? 34 LEU A HD11 2 ATOM 2021 H HD12 . LEU A 1 34 ? 18.792 -2.746 0.957 1.00 0.00 ? 34 LEU A HD12 2 ATOM 2022 H HD13 . LEU A 1 34 ? 18.473 -3.748 2.373 1.00 0.00 ? 34 LEU A HD13 2 ATOM 2023 H HD21 . LEU A 1 34 ? 21.047 -0.915 2.717 1.00 0.00 ? 34 LEU A HD21 2 ATOM 2024 H HD22 . LEU A 1 34 ? 20.971 -2.493 3.499 1.00 0.00 ? 34 LEU A HD22 2 ATOM 2025 H HD23 . LEU A 1 34 ? 20.819 -2.369 1.746 1.00 0.00 ? 34 LEU A HD23 2 ATOM 2026 N N . LYS A 1 35 ? 19.275 2.696 1.945 1.00 0.00 ? 35 LYS A N 2 ATOM 2027 C CA . LYS A 1 35 ? 19.926 3.735 1.156 1.00 0.00 ? 35 LYS A CA 2 ATOM 2028 C C . LYS A 1 35 ? 20.794 4.619 2.047 1.00 0.00 ? 35 LYS A C 2 ATOM 2029 O O . LYS A 1 35 ? 21.913 4.978 1.681 1.00 0.00 ? 35 LYS A O 2 ATOM 2030 C CB . LYS A 1 35 ? 18.883 4.599 0.439 1.00 0.00 ? 35 LYS A CB 2 ATOM 2031 C CG . LYS A 1 35 ? 18.510 4.109 -0.953 1.00 0.00 ? 35 LYS A CG 2 ATOM 2032 C CD . LYS A 1 35 ? 19.735 3.751 -1.779 1.00 0.00 ? 35 LYS A CD 2 ATOM 2033 C CE . LYS A 1 35 ? 19.392 3.643 -3.256 1.00 0.00 ? 35 LYS A CE 2 ATOM 2034 N NZ . LYS A 1 35 ? 19.326 4.978 -3.910 1.00 0.00 ? 35 LYS A NZ 2 ATOM 2035 H H . LYS A 1 35 ? 18.295 2.668 1.983 1.00 0.00 ? 35 LYS A H 2 ATOM 2036 H HA . LYS A 1 35 ? 20.555 3.254 0.425 1.00 0.00 ? 35 LYS A HA 2 ATOM 2037 H HB2 . LYS A 1 35 ? 17.984 4.620 1.037 1.00 0.00 ? 35 LYS A HB2 2 ATOM 2038 H HB3 . LYS A 1 35 ? 19.266 5.605 0.352 1.00 0.00 ? 35 LYS A HB3 2 ATOM 2039 H HG2 . LYS A 1 35 ? 17.885 3.235 -0.861 1.00 0.00 ? 35 LYS A HG2 2 ATOM 2040 H HG3 . LYS A 1 35 ? 17.964 4.891 -1.459 1.00 0.00 ? 35 LYS A HG3 2 ATOM 2041 H HD2 . LYS A 1 35 ? 20.484 4.518 -1.648 1.00 0.00 ? 35 LYS A HD2 2 ATOM 2042 H HD3 . LYS A 1 35 ? 20.123 2.804 -1.437 1.00 0.00 ? 35 LYS A HD3 2 ATOM 2043 H HE2 . LYS A 1 35 ? 20.150 3.049 -3.745 1.00 0.00 ? 35 LYS A HE2 2 ATOM 2044 H HE3 . LYS A 1 35 ? 18.434 3.154 -3.354 1.00 0.00 ? 35 LYS A HE3 2 ATOM 2045 H HZ1 . LYS A 1 35 ? 20.177 5.531 -3.682 1.00 0.00 ? 35 LYS A HZ1 2 ATOM 2046 H HZ2 . LYS A 1 35 ? 19.264 4.867 -4.943 1.00 0.00 ? 35 LYS A HZ2 2 ATOM 2047 H HZ3 . LYS A 1 35 ? 18.489 5.498 -3.579 1.00 0.00 ? 35 LYS A HZ3 2 ATOM 2048 N N . GLN A 1 36 ? 20.268 4.967 3.217 1.00 0.00 ? 36 GLN A N 2 ATOM 2049 C CA . GLN A 1 36 ? 20.993 5.809 4.161 1.00 0.00 ? 36 GLN A CA 2 ATOM 2050 C C . GLN A 1 36 ? 22.239 5.101 4.681 1.00 0.00 ? 36 GLN A C 2 ATOM 2051 O O . GLN A 1 36 ? 23.263 5.733 4.938 1.00 0.00 ? 36 GLN A O 2 ATOM 2052 C CB . GLN A 1 36 ? 20.087 6.197 5.331 1.00 0.00 ? 36 GLN A CB 2 ATOM 2053 C CG . GLN A 1 36 ? 20.189 7.663 5.719 1.00 0.00 ? 36 GLN A CG 2 ATOM 2054 C CD . GLN A 1 36 ? 19.948 7.892 7.199 1.00 0.00 ? 36 GLN A CD 2 ATOM 2055 O OE1 . GLN A 1 36 ? 20.866 7.790 8.012 1.00 0.00 ? 36 GLN A OE1 2 ATOM 2056 N NE2 . GLN A 1 36 ? 18.708 8.203 7.554 1.00 0.00 ? 36 GLN A NE2 2 ATOM 2057 H H . GLN A 1 36 ? 19.370 4.650 3.452 1.00 0.00 ? 36 GLN A H 2 ATOM 2058 H HA . GLN A 1 36 ? 21.295 6.706 3.639 1.00 0.00 ? 36 GLN A HA 2 ATOM 2059 H HB2 . GLN A 1 36 ? 19.061 5.990 5.061 1.00 0.00 ? 36 GLN A HB2 2 ATOM 2060 H HB3 . GLN A 1 36 ? 20.352 5.599 6.189 1.00 0.00 ? 36 GLN A HB3 2 ATOM 2061 H HG2 . GLN A 1 36 ? 21.178 8.020 5.472 1.00 0.00 ? 36 GLN A HG2 2 ATOM 2062 H HG3 . GLN A 1 36 ? 19.455 8.223 5.159 1.00 0.00 ? 36 GLN A HG3 2 ATOM 2063 H HE21 . GLN A 1 36 ? 18.027 8.267 6.852 1.00 0.00 ? 36 GLN A HE21 2 ATOM 2064 H HE22 . GLN A 1 36 ? 18.523 8.357 8.505 1.00 0.00 ? 36 GLN A HE22 2 ATOM 2065 N N . SER A 1 37 ? 22.145 3.784 4.833 1.00 0.00 ? 37 SER A N 2 ATOM 2066 C CA . SER A 1 37 ? 23.265 2.989 5.322 1.00 0.00 ? 37 SER A CA 2 ATOM 2067 C C . SER A 1 37 ? 24.393 2.950 4.296 1.00 0.00 ? 37 SER A C 2 ATOM 2068 O O . SER A 1 37 ? 25.561 2.791 4.649 1.00 0.00 ? 37 SER A O 2 ATOM 2069 C CB . SER A 1 37 ? 22.805 1.566 5.647 1.00 0.00 ? 37 SER A CB 2 ATOM 2070 O OG . SER A 1 37 ? 23.322 1.135 6.894 1.00 0.00 ? 37 SER A OG 2 ATOM 2071 H H . SER A 1 37 ? 21.301 3.335 4.611 1.00 0.00 ? 37 SER A H 2 ATOM 2072 H HA . SER A 1 37 ? 23.632 3.455 6.225 1.00 0.00 ? 37 SER A HA 2 ATOM 2073 H HB2 . SER A 1 37 ? 21.727 1.540 5.690 1.00 0.00 ? 37 SER A HB2 2 ATOM 2074 H HB3 . SER A 1 37 ? 23.151 0.894 4.875 1.00 0.00 ? 37 SER A HB3 2 ATOM 2075 H HG . SER A 1 37 ? 24.213 0.800 6.772 1.00 0.00 ? 37 SER A HG 2 ATOM 2076 N N . GLU A 1 38 ? 24.034 3.097 3.025 1.00 0.00 ? 38 GLU A N 2 ATOM 2077 C CA . GLU A 1 38 ? 25.017 3.079 1.947 1.00 0.00 ? 38 GLU A CA 2 ATOM 2078 C C . GLU A 1 38 ? 25.893 4.327 1.988 1.00 0.00 ? 38 GLU A C 2 ATOM 2079 O O . GLU A 1 38 ? 27.062 4.291 1.606 1.00 0.00 ? 38 GLU A O 2 ATOM 2080 C CB . GLU A 1 38 ? 24.316 2.978 0.591 1.00 0.00 ? 38 GLU A CB 2 ATOM 2081 C CG . GLU A 1 38 ? 24.513 1.639 -0.098 1.00 0.00 ? 38 GLU A CG 2 ATOM 2082 C CD . GLU A 1 38 ? 24.087 1.663 -1.553 1.00 0.00 ? 38 GLU A CD 2 ATOM 2083 O OE1 . GLU A 1 38 ? 24.781 2.310 -2.364 1.00 0.00 ? 38 GLU A OE1 2 ATOM 2084 O OE2 . GLU A 1 38 ? 23.059 1.032 -1.881 1.00 0.00 ? 38 GLU A OE2 2 ATOM 2085 H H . GLU A 1 38 ? 23.087 3.221 2.806 1.00 0.00 ? 38 GLU A H 2 ATOM 2086 H HA . GLU A 1 38 ? 25.643 2.210 2.084 1.00 0.00 ? 38 GLU A HA 2 ATOM 2087 H HB2 . GLU A 1 38 ? 23.256 3.132 0.734 1.00 0.00 ? 38 GLU A HB2 2 ATOM 2088 H HB3 . GLU A 1 38 ? 24.698 3.753 -0.058 1.00 0.00 ? 38 GLU A HB3 2 ATOM 2089 H HG2 . GLU A 1 38 ? 25.559 1.375 -0.050 1.00 0.00 ? 38 GLU A HG2 2 ATOM 2090 H HG3 . GLU A 1 38 ? 23.930 0.892 0.420 1.00 0.00 ? 38 GLU A HG3 2 ATOM 2091 N N . ASP A 1 39 ? 25.318 5.431 2.455 1.00 0.00 ? 39 ASP A N 2 ATOM 2092 C CA . ASP A 1 39 ? 26.046 6.691 2.546 1.00 0.00 ? 39 ASP A CA 2 ATOM 2093 C C . ASP A 1 39 ? 27.117 6.624 3.630 1.00 0.00 ? 39 ASP A C 2 ATOM 2094 O O . ASP A 1 39 ? 28.116 7.340 3.575 1.00 0.00 ? 39 ASP A O 2 ATOM 2095 C CB . ASP A 1 39 ? 25.082 7.842 2.837 1.00 0.00 ? 39 ASP A CB 2 ATOM 2096 C CG . ASP A 1 39 ? 24.719 8.623 1.589 1.00 0.00 ? 39 ASP A CG 2 ATOM 2097 O OD1 . ASP A 1 39 ? 23.964 8.085 0.752 1.00 0.00 ? 39 ASP A OD1 2 ATOM 2098 O OD2 . ASP A 1 39 ? 25.190 9.771 1.449 1.00 0.00 ? 39 ASP A OD2 2 ATOM 2099 H H . ASP A 1 39 ? 24.383 5.398 2.744 1.00 0.00 ? 39 ASP A H 2 ATOM 2100 H HA . ASP A 1 39 ? 26.525 6.867 1.594 1.00 0.00 ? 39 ASP A HA 2 ATOM 2101 H HB2 . ASP A 1 39 ? 24.175 7.444 3.266 1.00 0.00 ? 39 ASP A HB2 2 ATOM 2102 H HB3 . ASP A 1 39 ? 25.541 8.519 3.542 1.00 0.00 ? 39 ASP A HB3 2 ATOM 2103 N N . ASP A 1 40 ? 26.901 5.756 4.614 1.00 0.00 ? 40 ASP A N 2 ATOM 2104 C CA . ASP A 1 40 ? 27.848 5.595 5.712 1.00 0.00 ? 40 ASP A CA 2 ATOM 2105 C C . ASP A 1 40 ? 28.978 4.648 5.320 1.00 0.00 ? 40 ASP A C 2 ATOM 2106 O O . ASP A 1 40 ? 29.105 4.265 4.157 1.00 0.00 ? 40 ASP A O 2 ATOM 2107 C CB . ASP A 1 40 ? 27.132 5.067 6.957 1.00 0.00 ? 40 ASP A CB 2 ATOM 2108 C CG . ASP A 1 40 ? 25.949 5.928 7.352 1.00 0.00 ? 40 ASP A CG 2 ATOM 2109 O OD1 . ASP A 1 40 ? 26.119 7.161 7.452 1.00 0.00 ? 40 ASP A OD1 2 ATOM 2110 O OD2 . ASP A 1 40 ? 24.852 5.369 7.562 1.00 0.00 ? 40 ASP A OD2 2 ATOM 2111 H H . ASP A 1 40 ? 26.086 5.213 4.603 1.00 0.00 ? 40 ASP A H 2 ATOM 2112 H HA . ASP A 1 40 ? 28.267 6.565 5.933 1.00 0.00 ? 40 ASP A HA 2 ATOM 2113 H HB2 . ASP A 1 40 ? 26.776 4.066 6.762 1.00 0.00 ? 40 ASP A HB2 2 ATOM 2114 H HB3 . ASP A 1 40 ? 27.829 5.042 7.782 1.00 0.00 ? 40 ASP A HB3 2 ATOM 2115 N N . ASP A 1 41 ? 29.795 4.275 6.299 1.00 0.00 ? 41 ASP A N 2 ATOM 2116 C CA . ASP A 1 41 ? 30.915 3.371 6.056 1.00 0.00 ? 41 ASP A CA 2 ATOM 2117 C C . ASP A 1 41 ? 30.460 1.916 6.100 1.00 0.00 ? 41 ASP A C 2 ATOM 2118 O O . ASP A 1 41 ? 29.233 1.681 6.105 1.00 0.00 ? 41 ASP A O 2 ATOM 2119 C CB . ASP A 1 41 ? 32.019 3.605 7.091 1.00 0.00 ? 41 ASP A CB 2 ATOM 2120 C CG . ASP A 1 41 ? 32.899 4.788 6.739 1.00 0.00 ? 41 ASP A CG 2 ATOM 2121 O OD1 . ASP A 1 41 ? 32.413 5.936 6.825 1.00 0.00 ? 41 ASP A OD1 2 ATOM 2122 O OD2 . ASP A 1 41 ? 34.075 4.567 6.380 1.00 0.00 ? 41 ASP A OD2 2 ATOM 2123 O OXT . ASP A 1 41 ? 31.334 1.025 6.129 1.00 0.00 ? 41 ASP A OXT 2 ATOM 2124 H H . ASP A 1 41 ? 29.643 4.613 7.206 1.00 0.00 ? 41 ASP A H 2 ATOM 2125 H HA . ASP A 1 41 ? 31.305 3.585 5.072 1.00 0.00 ? 41 ASP A HA 2 ATOM 2126 H HB2 . ASP A 1 41 ? 31.567 3.790 8.054 1.00 0.00 ? 41 ASP A HB2 2 ATOM 2127 H HB3 . ASP A 1 41 ? 32.638 2.722 7.151 1.00 0.00 ? 41 ASP A HB3 2 ATOM 2128 N N . ALA B 1 1 ? 35.498 -3.415 0.278 1.00 0.00 ? 1 ALA B N 2 ATOM 2129 C CA . ALA B 1 1 ? 34.574 -2.278 0.528 1.00 0.00 ? 1 ALA B CA 2 ATOM 2130 C C . ALA B 1 1 ? 33.836 -1.882 -0.745 1.00 0.00 ? 1 ALA B C 2 ATOM 2131 O O . ALA B 1 1 ? 34.159 -0.874 -1.374 1.00 0.00 ? 1 ALA B O 2 ATOM 2132 C CB . ALA B 1 1 ? 35.343 -1.088 1.084 1.00 0.00 ? 1 ALA B CB 2 ATOM 2133 H H1 . ALA B 1 1 ? 35.114 -3.967 -0.514 1.00 0.00 ? 1 ALA B H1 2 ATOM 2134 H H2 . ALA B 1 1 ? 36.431 -3.018 0.043 1.00 0.00 ? 1 ALA B H2 2 ATOM 2135 H H3 . ALA B 1 1 ? 35.541 -3.986 1.146 1.00 0.00 ? 1 ALA B H3 2 ATOM 2136 H HA . ALA B 1 1 ? 33.851 -2.585 1.269 1.00 0.00 ? 1 ALA B HA 2 ATOM 2137 H HB1 . ALA B 1 1 ? 35.525 -1.237 2.138 1.00 0.00 ? 1 ALA B HB1 2 ATOM 2138 H HB2 . ALA B 1 1 ? 36.286 -0.994 0.566 1.00 0.00 ? 1 ALA B HB2 2 ATOM 2139 H HB3 . ALA B 1 1 ? 34.763 -0.188 0.942 1.00 0.00 ? 1 ALA B HB3 2 ATOM 2140 N N . LEU B 1 2 ? 32.843 -2.682 -1.121 1.00 0.00 ? 2 LEU B N 2 ATOM 2141 C CA . LEU B 1 2 ? 32.058 -2.415 -2.319 1.00 0.00 ? 2 LEU B CA 2 ATOM 2142 C C . LEU B 1 2 ? 30.571 -2.622 -2.054 1.00 0.00 ? 2 LEU B C 2 ATOM 2143 O O . LEU B 1 2 ? 29.784 -1.677 -2.104 1.00 0.00 ? 2 LEU B O 2 ATOM 2144 C CB . LEU B 1 2 ? 32.514 -3.322 -3.465 1.00 0.00 ? 2 LEU B CB 2 ATOM 2145 C CG . LEU B 1 2 ? 32.693 -2.621 -4.814 1.00 0.00 ? 2 LEU B CG 2 ATOM 2146 C CD1 . LEU B 1 2 ? 34.047 -1.934 -4.881 1.00 0.00 ? 2 LEU B CD1 2 ATOM 2147 C CD2 . LEU B 1 2 ? 32.541 -3.617 -5.954 1.00 0.00 ? 2 LEU B CD2 2 ATOM 2148 H H . LEU B 1 2 ? 32.634 -3.471 -0.577 1.00 0.00 ? 2 LEU B H 2 ATOM 2149 H HA . LEU B 1 2 ? 32.222 -1.386 -2.601 1.00 0.00 ? 2 LEU B HA 2 ATOM 2150 H HB2 . LEU B 1 2 ? 33.456 -3.770 -3.187 1.00 0.00 ? 2 LEU B HB2 2 ATOM 2151 H HB3 . LEU B 1 2 ? 31.784 -4.107 -3.587 1.00 0.00 ? 2 LEU B HB3 2 ATOM 2152 H HG . LEU B 1 2 ? 31.929 -1.867 -4.924 1.00 0.00 ? 2 LEU B HG 2 ATOM 2153 H HD11 . LEU B 1 2 ? 34.138 -1.237 -4.060 1.00 0.00 ? 2 LEU B HD11 2 ATOM 2154 H HD12 . LEU B 1 2 ? 34.831 -2.673 -4.815 1.00 0.00 ? 2 LEU B HD12 2 ATOM 2155 H HD13 . LEU B 1 2 ? 34.133 -1.400 -5.817 1.00 0.00 ? 2 LEU B HD13 2 ATOM 2156 H HD21 . LEU B 1 2 ? 32.015 -4.491 -5.600 1.00 0.00 ? 2 LEU B HD21 2 ATOM 2157 H HD22 . LEU B 1 2 ? 31.982 -3.161 -6.758 1.00 0.00 ? 2 LEU B HD22 2 ATOM 2158 H HD23 . LEU B 1 2 ? 33.518 -3.905 -6.312 1.00 0.00 ? 2 LEU B HD23 2 ATOM 2159 N N . LYS B 1 3 ? 30.192 -3.864 -1.770 1.00 0.00 ? 3 LYS B N 2 ATOM 2160 C CA . LYS B 1 3 ? 28.799 -4.194 -1.496 1.00 0.00 ? 3 LYS B CA 2 ATOM 2161 C C . LYS B 1 3 ? 27.892 -3.706 -2.620 1.00 0.00 ? 3 LYS B C 2 ATOM 2162 O O . LYS B 1 3 ? 26.965 -2.929 -2.391 1.00 0.00 ? 3 LYS B O 2 ATOM 2163 C CB . LYS B 1 3 ? 28.358 -3.578 -0.167 1.00 0.00 ? 3 LYS B CB 2 ATOM 2164 C CG . LYS B 1 3 ? 28.532 -4.509 1.023 1.00 0.00 ? 3 LYS B CG 2 ATOM 2165 C CD . LYS B 1 3 ? 29.431 -3.895 2.084 1.00 0.00 ? 3 LYS B CD 2 ATOM 2166 C CE . LYS B 1 3 ? 29.829 -4.917 3.135 1.00 0.00 ? 3 LYS B CE 2 ATOM 2167 N NZ . LYS B 1 3 ? 29.271 -4.584 4.475 1.00 0.00 ? 3 LYS B NZ 2 ATOM 2168 H H . LYS B 1 3 ? 30.866 -4.575 -1.744 1.00 0.00 ? 3 LYS B H 2 ATOM 2169 H HA . LYS B 1 3 ? 28.721 -5.268 -1.427 1.00 0.00 ? 3 LYS B HA 2 ATOM 2170 H HB2 . LYS B 1 3 ? 28.941 -2.686 0.014 1.00 0.00 ? 3 LYS B HB2 2 ATOM 2171 H HB3 . LYS B 1 3 ? 27.316 -3.308 -0.236 1.00 0.00 ? 3 LYS B HB3 2 ATOM 2172 H HG2 . LYS B 1 3 ? 27.564 -4.707 1.456 1.00 0.00 ? 3 LYS B HG2 2 ATOM 2173 H HG3 . LYS B 1 3 ? 28.971 -5.434 0.681 1.00 0.00 ? 3 LYS B HG3 2 ATOM 2174 H HD2 . LYS B 1 3 ? 30.324 -3.515 1.610 1.00 0.00 ? 3 LYS B HD2 2 ATOM 2175 H HD3 . LYS B 1 3 ? 28.903 -3.084 2.564 1.00 0.00 ? 3 LYS B HD3 2 ATOM 2176 H HE2 . LYS B 1 3 ? 29.462 -5.888 2.833 1.00 0.00 ? 3 LYS B HE2 2 ATOM 2177 H HE3 . LYS B 1 3 ? 30.908 -4.947 3.200 1.00 0.00 ? 3 LYS B HE3 2 ATOM 2178 H HZ1 . LYS B 1 3 ? 28.232 -4.557 4.432 1.00 0.00 ? 3 LYS B HZ1 2 ATOM 2179 H HZ2 . LYS B 1 3 ? 29.561 -5.300 5.172 1.00 0.00 ? 3 LYS B HZ2 2 ATOM 2180 H HZ3 . LYS B 1 3 ? 29.619 -3.654 4.785 1.00 0.00 ? 3 LYS B HZ3 2 ATOM 2181 N N . LYS B 1 4 ? 28.166 -4.168 -3.836 1.00 0.00 ? 4 LYS B N 2 ATOM 2182 C CA . LYS B 1 4 ? 27.374 -3.779 -4.998 1.00 0.00 ? 4 LYS B CA 2 ATOM 2183 C C . LYS B 1 4 ? 26.007 -4.453 -4.975 1.00 0.00 ? 4 LYS B C 2 ATOM 2184 O O . LYS B 1 4 ? 25.013 -3.882 -5.425 1.00 0.00 ? 4 LYS B O 2 ATOM 2185 C CB . LYS B 1 4 ? 28.113 -4.138 -6.289 1.00 0.00 ? 4 LYS B CB 2 ATOM 2186 C CG . LYS B 1 4 ? 27.964 -3.097 -7.385 1.00 0.00 ? 4 LYS B CG 2 ATOM 2187 C CD . LYS B 1 4 ? 27.648 -3.740 -8.726 1.00 0.00 ? 4 LYS B CD 2 ATOM 2188 C CE . LYS B 1 4 ? 28.295 -2.983 -9.873 1.00 0.00 ? 4 LYS B CE 2 ATOM 2189 N NZ . LYS B 1 4 ? 28.547 -3.862 -11.047 1.00 0.00 ? 4 LYS B NZ 2 ATOM 2190 H H . LYS B 1 4 ? 28.918 -4.785 -3.956 1.00 0.00 ? 4 LYS B H 2 ATOM 2191 H HA . LYS B 1 4 ? 27.235 -2.709 -4.960 1.00 0.00 ? 4 LYS B HA 2 ATOM 2192 H HB2 . LYS B 1 4 ? 29.163 -4.251 -6.068 1.00 0.00 ? 4 LYS B HB2 2 ATOM 2193 H HB3 . LYS B 1 4 ? 27.728 -5.078 -6.659 1.00 0.00 ? 4 LYS B HB3 2 ATOM 2194 H HG2 . LYS B 1 4 ? 27.162 -2.423 -7.122 1.00 0.00 ? 4 LYS B HG2 2 ATOM 2195 H HG3 . LYS B 1 4 ? 28.889 -2.544 -7.470 1.00 0.00 ? 4 LYS B HG3 2 ATOM 2196 H HD2 . LYS B 1 4 ? 28.017 -4.754 -8.723 1.00 0.00 ? 4 LYS B HD2 2 ATOM 2197 H HD3 . LYS B 1 4 ? 26.577 -3.745 -8.867 1.00 0.00 ? 4 LYS B HD3 2 ATOM 2198 H HE2 . LYS B 1 4 ? 27.639 -2.178 -10.172 1.00 0.00 ? 4 LYS B HE2 2 ATOM 2199 H HE3 . LYS B 1 4 ? 29.235 -2.572 -9.533 1.00 0.00 ? 4 LYS B HE3 2 ATOM 2200 H HZ1 . LYS B 1 4 ? 28.720 -4.839 -10.733 1.00 0.00 ? 4 LYS B HZ1 2 ATOM 2201 H HZ2 . LYS B 1 4 ? 27.723 -3.857 -11.682 1.00 0.00 ? 4 LYS B HZ2 2 ATOM 2202 H HZ3 . LYS B 1 4 ? 29.378 -3.527 -11.575 1.00 0.00 ? 4 LYS B HZ3 2 ATOM 2203 N N . HIS B 1 5 ? 25.963 -5.672 -4.447 1.00 0.00 ? 5 HIS B N 2 ATOM 2204 C CA . HIS B 1 5 ? 24.717 -6.425 -4.366 1.00 0.00 ? 5 HIS B CA 2 ATOM 2205 C C . HIS B 1 5 ? 23.676 -5.668 -3.548 1.00 0.00 ? 5 HIS B C 2 ATOM 2206 O O . HIS B 1 5 ? 22.474 -5.805 -3.775 1.00 0.00 ? 5 HIS B O 2 ATOM 2207 C CB . HIS B 1 5 ? 24.967 -7.801 -3.747 1.00 0.00 ? 5 HIS B CB 2 ATOM 2208 C CG . HIS B 1 5 ? 25.313 -7.748 -2.291 1.00 0.00 ? 5 HIS B CG 2 ATOM 2209 N ND1 . HIS B 1 5 ? 24.709 -8.549 -1.344 1.00 0.00 ? 5 HIS B ND1 2 ATOM 2210 C CD2 . HIS B 1 5 ? 26.207 -6.982 -1.619 1.00 0.00 ? 5 HIS B CD2 2 ATOM 2211 C CE1 . HIS B 1 5 ? 25.216 -8.279 -0.154 1.00 0.00 ? 5 HIS B CE1 2 ATOM 2212 N NE2 . HIS B 1 5 ? 26.126 -7.333 -0.294 1.00 0.00 ? 5 HIS B NE2 2 ATOM 2213 H H . HIS B 1 5 ? 26.788 -6.075 -4.105 1.00 0.00 ? 5 HIS B H 2 ATOM 2214 H HA . HIS B 1 5 ? 24.342 -6.556 -5.370 1.00 0.00 ? 5 HIS B HA 2 ATOM 2215 H HB2 . HIS B 1 5 ? 24.079 -8.405 -3.855 1.00 0.00 ? 5 HIS B HB2 2 ATOM 2216 H HB3 . HIS B 1 5 ? 25.786 -8.278 -4.266 1.00 0.00 ? 5 HIS B HB3 2 ATOM 2217 H HD1 . HIS B 1 5 ? 24.012 -9.215 -1.518 1.00 0.00 ? 5 HIS B HD1 2 ATOM 2218 H HD2 . HIS B 1 5 ? 26.861 -6.237 -2.047 1.00 0.00 ? 5 HIS B HD2 2 ATOM 2219 H HE1 . HIS B 1 5 ? 24.934 -8.752 0.776 1.00 0.00 ? 5 HIS B HE1 2 ATOM 2220 H HE2 . HIS B 1 5 ? 26.657 -6.945 0.433 1.00 0.00 ? 5 HIS B HE2 2 ATOM 2221 N N . HIS B 1 6 ? 24.147 -4.870 -2.595 1.00 0.00 ? 6 HIS B N 2 ATOM 2222 C CA . HIS B 1 6 ? 23.256 -4.091 -1.742 1.00 0.00 ? 6 HIS B CA 2 ATOM 2223 C C . HIS B 1 6 ? 22.421 -3.122 -2.572 1.00 0.00 ? 6 HIS B C 2 ATOM 2224 O O . HIS B 1 6 ? 21.248 -2.893 -2.281 1.00 0.00 ? 6 HIS B O 2 ATOM 2225 C CB . HIS B 1 6 ? 24.060 -3.323 -0.693 1.00 0.00 ? 6 HIS B CB 2 ATOM 2226 C CG . HIS B 1 6 ? 24.009 -3.941 0.670 1.00 0.00 ? 6 HIS B CG 2 ATOM 2227 N ND1 . HIS B 1 6 ? 24.077 -5.302 0.882 1.00 0.00 ? 6 HIS B ND1 2 ATOM 2228 C CD2 . HIS B 1 6 ? 23.897 -3.375 1.896 1.00 0.00 ? 6 HIS B CD2 2 ATOM 2229 C CE1 . HIS B 1 6 ? 24.007 -5.547 2.179 1.00 0.00 ? 6 HIS B CE1 2 ATOM 2230 N NE2 . HIS B 1 6 ? 23.900 -4.396 2.815 1.00 0.00 ? 6 HIS B NE2 2 ATOM 2231 H H . HIS B 1 6 ? 25.115 -4.803 -2.462 1.00 0.00 ? 6 HIS B H 2 ATOM 2232 H HA . HIS B 1 6 ? 22.592 -4.780 -1.243 1.00 0.00 ? 6 HIS B HA 2 ATOM 2233 H HB2 . HIS B 1 6 ? 25.094 -3.282 -1.000 1.00 0.00 ? 6 HIS B HB2 2 ATOM 2234 H HB3 . HIS B 1 6 ? 23.672 -2.317 -0.618 1.00 0.00 ? 6 HIS B HB3 2 ATOM 2235 H HD1 . HIS B 1 6 ? 24.162 -5.986 0.186 1.00 0.00 ? 6 HIS B HD1 2 ATOM 2236 H HD2 . HIS B 1 6 ? 23.821 -2.319 2.110 1.00 0.00 ? 6 HIS B HD2 2 ATOM 2237 H HE1 . HIS B 1 6 ? 24.037 -6.523 2.641 1.00 0.00 ? 6 HIS B HE1 2 ATOM 2238 H HE2 . HIS B 1 6 ? 23.831 -4.289 3.786 1.00 0.00 ? 6 HIS B HE2 2 ATOM 2239 N N . GLU B 1 7 ? 23.032 -2.558 -3.609 1.00 0.00 ? 7 GLU B N 2 ATOM 2240 C CA . GLU B 1 7 ? 22.341 -1.618 -4.482 1.00 0.00 ? 7 GLU B CA 2 ATOM 2241 C C . GLU B 1 7 ? 21.204 -2.312 -5.225 1.00 0.00 ? 7 GLU B C 2 ATOM 2242 O O . GLU B 1 7 ? 20.224 -1.677 -5.615 1.00 0.00 ? 7 GLU B O 2 ATOM 2243 C CB . GLU B 1 7 ? 23.320 -1.000 -5.482 1.00 0.00 ? 7 GLU B CB 2 ATOM 2244 C CG . GLU B 1 7 ? 24.145 0.135 -4.902 1.00 0.00 ? 7 GLU B CG 2 ATOM 2245 C CD . GLU B 1 7 ? 24.898 0.912 -5.965 1.00 0.00 ? 7 GLU B CD 2 ATOM 2246 O OE1 . GLU B 1 7 ? 25.425 0.275 -6.902 1.00 0.00 ? 7 GLU B OE1 2 ATOM 2247 O OE2 . GLU B 1 7 ? 24.960 2.155 -5.861 1.00 0.00 ? 7 GLU B OE2 2 ATOM 2248 H H . GLU B 1 7 ? 23.968 -2.781 -3.793 1.00 0.00 ? 7 GLU B H 2 ATOM 2249 H HA . GLU B 1 7 ? 21.926 -0.836 -3.864 1.00 0.00 ? 7 GLU B HA 2 ATOM 2250 H HB2 . GLU B 1 7 ? 23.996 -1.768 -5.828 1.00 0.00 ? 7 GLU B HB2 2 ATOM 2251 H HB3 . GLU B 1 7 ? 22.762 -0.617 -6.325 1.00 0.00 ? 7 GLU B HB3 2 ATOM 2252 H HG2 . GLU B 1 7 ? 23.486 0.815 -4.383 1.00 0.00 ? 7 GLU B HG2 2 ATOM 2253 H HG3 . GLU B 1 7 ? 24.859 -0.275 -4.203 1.00 0.00 ? 7 GLU B HG3 2 ATOM 2254 N N . ASN B 1 8 ? 21.339 -3.621 -5.410 1.00 0.00 ? 8 ASN B N 2 ATOM 2255 C CA . ASN B 1 8 ? 20.321 -4.403 -6.100 1.00 0.00 ? 8 ASN B CA 2 ATOM 2256 C C . ASN B 1 8 ? 19.092 -4.572 -5.217 1.00 0.00 ? 8 ASN B C 2 ATOM 2257 O O . ASN B 1 8 ? 17.982 -4.203 -5.603 1.00 0.00 ? 8 ASN B O 2 ATOM 2258 C CB . ASN B 1 8 ? 20.876 -5.774 -6.493 1.00 0.00 ? 8 ASN B CB 2 ATOM 2259 C CG . ASN B 1 8 ? 20.613 -6.107 -7.949 1.00 0.00 ? 8 ASN B CG 2 ATOM 2260 O OD1 . ASN B 1 8 ? 20.439 -5.217 -8.780 1.00 0.00 ? 8 ASN B OD1 2 ATOM 2261 N ND2 . ASN B 1 8 ? 20.582 -7.398 -8.264 1.00 0.00 ? 8 ASN B ND2 2 ATOM 2262 H H . ASN B 1 8 ? 22.141 -4.072 -5.072 1.00 0.00 ? 8 ASN B H 2 ATOM 2263 H HA . ASN B 1 8 ? 20.038 -3.867 -6.993 1.00 0.00 ? 8 ASN B HA 2 ATOM 2264 H HB2 . ASN B 1 8 ? 21.943 -5.784 -6.328 1.00 0.00 ? 8 ASN B HB2 2 ATOM 2265 H HB3 . ASN B 1 8 ? 20.413 -6.532 -5.879 1.00 0.00 ? 8 ASN B HB3 2 ATOM 2266 H HD21 . ASN B 1 8 ? 20.729 -8.052 -7.550 1.00 0.00 ? 8 ASN B HD21 2 ATOM 2267 H HD22 . ASN B 1 8 ? 20.415 -7.641 -9.198 1.00 0.00 ? 8 ASN B HD22 2 ATOM 2268 N N . GLU B 1 9 ? 19.297 -5.118 -4.022 1.00 0.00 ? 9 GLU B N 2 ATOM 2269 C CA . GLU B 1 9 ? 18.203 -5.317 -3.080 1.00 0.00 ? 9 GLU B CA 2 ATOM 2270 C C . GLU B 1 9 ? 17.568 -3.979 -2.712 1.00 0.00 ? 9 GLU B C 2 ATOM 2271 O O . GLU B 1 9 ? 16.405 -3.919 -2.315 1.00 0.00 ? 9 GLU B O 2 ATOM 2272 C CB . GLU B 1 9 ? 18.706 -6.024 -1.821 1.00 0.00 ? 9 GLU B CB 2 ATOM 2273 C CG . GLU B 1 9 ? 17.668 -6.926 -1.174 1.00 0.00 ? 9 GLU B CG 2 ATOM 2274 C CD . GLU B 1 9 ? 17.446 -8.209 -1.950 1.00 0.00 ? 9 GLU B CD 2 ATOM 2275 O OE1 . GLU B 1 9 ? 17.258 -8.130 -3.183 1.00 0.00 ? 9 GLU B OE1 2 ATOM 2276 O OE2 . GLU B 1 9 ? 17.458 -9.290 -1.326 1.00 0.00 ? 9 GLU B OE2 2 ATOM 2277 H H . GLU B 1 9 ? 20.206 -5.382 -3.765 1.00 0.00 ? 9 GLU B H 2 ATOM 2278 H HA . GLU B 1 9 ? 17.459 -5.937 -3.560 1.00 0.00 ? 9 GLU B HA 2 ATOM 2279 H HB2 . GLU B 1 9 ? 19.566 -6.626 -2.078 1.00 0.00 ? 9 GLU B HB2 2 ATOM 2280 H HB3 . GLU B 1 9 ? 19.004 -5.277 -1.099 1.00 0.00 ? 9 GLU B HB3 2 ATOM 2281 H HG2 . GLU B 1 9 ? 18.001 -7.180 -0.178 1.00 0.00 ? 9 GLU B HG2 2 ATOM 2282 H HG3 . GLU B 1 9 ? 16.733 -6.390 -1.113 1.00 0.00 ? 9 GLU B HG3 2 ATOM 2283 N N . ILE B 1 10 ? 18.345 -2.907 -2.852 1.00 0.00 ? 10 ILE B N 2 ATOM 2284 C CA . ILE B 1 10 ? 17.870 -1.568 -2.541 1.00 0.00 ? 10 ILE B CA 2 ATOM 2285 C C . ILE B 1 10 ? 16.859 -1.103 -3.596 1.00 0.00 ? 10 ILE B C 2 ATOM 2286 O O . ILE B 1 10 ? 15.772 -0.625 -3.265 1.00 0.00 ? 10 ILE B O 2 ATOM 2287 C CB . ILE B 1 10 ? 19.080 -0.583 -2.401 1.00 0.00 ? 10 ILE B CB 2 ATOM 2288 C CG1 . ILE B 1 10 ? 19.172 -0.071 -0.964 1.00 0.00 ? 10 ILE B CG1 2 ATOM 2289 C CG2 . ILE B 1 10 ? 19.032 0.595 -3.378 1.00 0.00 ? 10 ILE B CG2 2 ATOM 2290 C CD1 . ILE B 1 10 ? 20.562 -0.180 -0.377 1.00 0.00 ? 10 ILE B CD1 2 ATOM 2291 H H . ILE B 1 10 ? 19.262 -3.020 -3.176 1.00 0.00 ? 10 ILE B H 2 ATOM 2292 H HA . ILE B 1 10 ? 17.367 -1.616 -1.586 1.00 0.00 ? 10 ILE B HA 2 ATOM 2293 H HB . ILE B 1 10 ? 19.978 -1.141 -2.618 1.00 0.00 ? 10 ILE B HB 2 ATOM 2294 H HG12 . ILE B 1 10 ? 18.883 0.969 -0.939 1.00 0.00 ? 10 ILE B HG12 2 ATOM 2295 H HG13 . ILE B 1 10 ? 18.501 -0.643 -0.341 1.00 0.00 ? 10 ILE B HG13 2 ATOM 2296 H HG21 . ILE B 1 10 ? 18.916 0.224 -4.385 1.00 0.00 ? 10 ILE B HG21 2 ATOM 2297 H HG22 . ILE B 1 10 ? 18.196 1.234 -3.132 1.00 0.00 ? 10 ILE B HG22 2 ATOM 2298 H HG23 . ILE B 1 10 ? 19.950 1.159 -3.305 1.00 0.00 ? 10 ILE B HG23 2 ATOM 2299 H HD11 . ILE B 1 10 ? 21.225 -0.632 -1.101 1.00 0.00 ? 10 ILE B HD11 2 ATOM 2300 H HD12 . ILE B 1 10 ? 20.925 0.805 -0.123 1.00 0.00 ? 10 ILE B HD12 2 ATOM 2301 H HD13 . ILE B 1 10 ? 20.530 -0.791 0.513 1.00 0.00 ? 10 ILE B HD13 2 ATOM 2302 N N . SER B 1 11 ? 17.229 -1.249 -4.865 1.00 0.00 ? 11 SER B N 2 ATOM 2303 C CA . SER B 1 11 ? 16.360 -0.849 -5.964 1.00 0.00 ? 11 SER B CA 2 ATOM 2304 C C . SER B 1 11 ? 15.083 -1.682 -5.974 1.00 0.00 ? 11 SER B C 2 ATOM 2305 O O . SER B 1 11 ? 14.042 -1.238 -6.458 1.00 0.00 ? 11 SER B O 2 ATOM 2306 C CB . SER B 1 11 ? 17.090 -0.998 -7.300 1.00 0.00 ? 11 SER B CB 2 ATOM 2307 O OG . SER B 1 11 ? 16.597 -0.077 -8.257 1.00 0.00 ? 11 SER B OG 2 ATOM 2308 H H . SER B 1 11 ? 18.106 -1.640 -5.066 1.00 0.00 ? 11 SER B H 2 ATOM 2309 H HA . SER B 1 11 ? 16.099 0.188 -5.820 1.00 0.00 ? 11 SER B HA 2 ATOM 2310 H HB2 . SER B 1 11 ? 18.144 -0.816 -7.154 1.00 0.00 ? 11 SER B HB2 2 ATOM 2311 H HB3 . SER B 1 11 ? 16.948 -2.000 -7.677 1.00 0.00 ? 11 SER B HB3 2 ATOM 2312 H HG . SER B 1 11 ? 16.446 -0.529 -9.090 1.00 0.00 ? 11 SER B HG 2 ATOM 2313 N N . HIS B 1 12 ? 15.170 -2.894 -5.434 1.00 0.00 ? 12 HIS B N 2 ATOM 2314 C CA . HIS B 1 12 ? 14.023 -3.787 -5.378 1.00 0.00 ? 12 HIS B CA 2 ATOM 2315 C C . HIS B 1 12 ? 13.007 -3.281 -4.349 1.00 0.00 ? 12 HIS B C 2 ATOM 2316 O O . HIS B 1 12 ? 11.804 -3.256 -4.615 1.00 0.00 ? 12 HIS B O 2 ATOM 2317 C CB . HIS B 1 12 ? 14.500 -5.231 -5.087 1.00 0.00 ? 12 HIS B CB 2 ATOM 2318 C CG . HIS B 1 12 ? 13.816 -5.936 -3.949 1.00 0.00 ? 12 HIS B CG 2 ATOM 2319 N ND1 . HIS B 1 12 ? 12.524 -6.413 -4.022 1.00 0.00 ? 12 HIS B ND1 2 ATOM 2320 C CD2 . HIS B 1 12 ? 14.258 -6.240 -2.707 1.00 0.00 ? 12 HIS B CD2 2 ATOM 2321 C CE1 . HIS B 1 12 ? 12.201 -6.980 -2.874 1.00 0.00 ? 12 HIS B CE1 2 ATOM 2322 N NE2 . HIS B 1 12 ? 13.236 -6.889 -2.060 1.00 0.00 ? 12 HIS B NE2 2 ATOM 2323 H H . HIS B 1 12 ? 16.027 -3.193 -5.062 1.00 0.00 ? 12 HIS B H 2 ATOM 2324 H HA . HIS B 1 12 ? 13.554 -3.767 -6.352 1.00 0.00 ? 12 HIS B HA 2 ATOM 2325 H HB2 . HIS B 1 12 ? 14.346 -5.829 -5.972 1.00 0.00 ? 12 HIS B HB2 2 ATOM 2326 H HB3 . HIS B 1 12 ? 15.559 -5.204 -4.868 1.00 0.00 ? 12 HIS B HB3 2 ATOM 2327 H HD1 . HIS B 1 12 ? 11.932 -6.345 -4.800 1.00 0.00 ? 12 HIS B HD1 2 ATOM 2328 H HD2 . HIS B 1 12 ? 15.234 -6.013 -2.302 1.00 0.00 ? 12 HIS B HD2 2 ATOM 2329 H HE1 . HIS B 1 12 ? 11.253 -7.442 -2.640 1.00 0.00 ? 12 HIS B HE1 2 ATOM 2330 H HE2 . HIS B 1 12 ? 13.267 -7.230 -1.141 1.00 0.00 ? 12 HIS B HE2 2 ATOM 2331 N N . HIS B 1 13 ? 13.496 -2.868 -3.183 1.00 0.00 ? 13 HIS B N 2 ATOM 2332 C CA . HIS B 1 13 ? 12.619 -2.357 -2.138 1.00 0.00 ? 13 HIS B CA 2 ATOM 2333 C C . HIS B 1 13 ? 11.935 -1.080 -2.607 1.00 0.00 ? 13 HIS B C 2 ATOM 2334 O O . HIS B 1 13 ? 10.815 -0.778 -2.198 1.00 0.00 ? 13 HIS B O 2 ATOM 2335 C CB . HIS B 1 13 ? 13.397 -2.081 -0.852 1.00 0.00 ? 13 HIS B CB 2 ATOM 2336 C CG . HIS B 1 13 ? 14.267 -3.213 -0.405 1.00 0.00 ? 13 HIS B CG 2 ATOM 2337 N ND1 . HIS B 1 13 ? 13.891 -4.537 -0.492 1.00 0.00 ? 13 HIS B ND1 2 ATOM 2338 C CD2 . HIS B 1 13 ? 15.500 -3.208 0.150 1.00 0.00 ? 13 HIS B CD2 2 ATOM 2339 C CE1 . HIS B 1 13 ? 14.856 -5.297 -0.006 1.00 0.00 ? 13 HIS B CE1 2 ATOM 2340 N NE2 . HIS B 1 13 ? 15.843 -4.516 0.388 1.00 0.00 ? 13 HIS B NE2 2 ATOM 2341 H H . HIS B 1 13 ? 14.463 -2.900 -3.027 1.00 0.00 ? 13 HIS B H 2 ATOM 2342 H HA . HIS B 1 13 ? 11.865 -3.105 -1.942 1.00 0.00 ? 13 HIS B HA 2 ATOM 2343 H HB2 . HIS B 1 13 ? 14.030 -1.220 -1.001 1.00 0.00 ? 13 HIS B HB2 2 ATOM 2344 H HB3 . HIS B 1 13 ? 12.695 -1.871 -0.058 1.00 0.00 ? 13 HIS B HB3 2 ATOM 2345 H HD1 . HIS B 1 13 ? 13.043 -4.869 -0.854 1.00 0.00 ? 13 HIS B HD1 2 ATOM 2346 H HD2 . HIS B 1 13 ? 16.099 -2.336 0.369 1.00 0.00 ? 13 HIS B HD2 2 ATOM 2347 H HE1 . HIS B 1 13 ? 14.839 -6.375 0.057 1.00 0.00 ? 13 HIS B HE1 2 ATOM 2348 H HE2 . HIS B 1 13 ? 16.685 -4.822 0.786 1.00 0.00 ? 13 HIS B HE2 2 ATOM 2349 N N . ALA B 1 14 ? 12.619 -0.335 -3.473 1.00 0.00 ? 14 ALA B N 2 ATOM 2350 C CA . ALA B 1 14 ? 12.076 0.909 -4.003 1.00 0.00 ? 14 ALA B CA 2 ATOM 2351 C C . ALA B 1 14 ? 10.844 0.632 -4.852 1.00 0.00 ? 14 ALA B C 2 ATOM 2352 O O . ALA B 1 14 ? 9.785 1.222 -4.641 1.00 0.00 ? 14 ALA B O 2 ATOM 2353 C CB . ALA B 1 14 ? 13.131 1.643 -4.817 1.00 0.00 ? 14 ALA B CB 2 ATOM 2354 H H . ALA B 1 14 ? 13.507 -0.632 -3.762 1.00 0.00 ? 14 ALA B H 2 ATOM 2355 H HA . ALA B 1 14 ? 11.794 1.535 -3.169 1.00 0.00 ? 14 ALA B HA 2 ATOM 2356 H HB1 . ALA B 1 14 ? 14.114 1.326 -4.502 1.00 0.00 ? 14 ALA B HB1 2 ATOM 2357 H HB2 . ALA B 1 14 ? 12.999 1.417 -5.865 1.00 0.00 ? 14 ALA B HB2 2 ATOM 2358 H HB3 . ALA B 1 14 ? 13.029 2.707 -4.662 1.00 0.00 ? 14 ALA B HB3 2 ATOM 2359 N N . LYS B 1 15 ? 10.985 -0.283 -5.804 1.00 0.00 ? 15 LYS B N 2 ATOM 2360 C CA . LYS B 1 15 ? 9.877 -0.651 -6.674 1.00 0.00 ? 15 LYS B CA 2 ATOM 2361 C C . LYS B 1 15 ? 8.758 -1.301 -5.866 1.00 0.00 ? 15 LYS B C 2 ATOM 2362 O O . LYS B 1 15 ? 7.604 -1.328 -6.295 1.00 0.00 ? 15 LYS B O 2 ATOM 2363 C CB . LYS B 1 15 ? 10.354 -1.604 -7.770 1.00 0.00 ? 15 LYS B CB 2 ATOM 2364 C CG . LYS B 1 15 ? 10.986 -0.898 -8.959 1.00 0.00 ? 15 LYS B CG 2 ATOM 2365 C CD . LYS B 1 15 ? 10.471 -1.456 -10.277 1.00 0.00 ? 15 LYS B CD 2 ATOM 2366 C CE . LYS B 1 15 ? 10.677 -0.472 -11.416 1.00 0.00 ? 15 LYS B CE 2 ATOM 2367 N NZ . LYS B 1 15 ? 9.550 0.494 -11.527 1.00 0.00 ? 15 LYS B NZ 2 ATOM 2368 H H . LYS B 1 15 ? 11.851 -0.728 -5.918 1.00 0.00 ? 15 LYS B H 2 ATOM 2369 H HA . LYS B 1 15 ? 9.499 0.252 -7.130 1.00 0.00 ? 15 LYS B HA 2 ATOM 2370 H HB2 . LYS B 1 15 ? 11.084 -2.280 -7.351 1.00 0.00 ? 15 LYS B HB2 2 ATOM 2371 H HB3 . LYS B 1 15 ? 9.509 -2.177 -8.126 1.00 0.00 ? 15 LYS B HB3 2 ATOM 2372 H HG2 . LYS B 1 15 ? 10.749 0.154 -8.908 1.00 0.00 ? 15 LYS B HG2 2 ATOM 2373 H HG3 . LYS B 1 15 ? 12.057 -1.030 -8.916 1.00 0.00 ? 15 LYS B HG3 2 ATOM 2374 H HD2 . LYS B 1 15 ? 11.002 -2.368 -10.502 1.00 0.00 ? 15 LYS B HD2 2 ATOM 2375 H HD3 . LYS B 1 15 ? 9.416 -1.665 -10.180 1.00 0.00 ? 15 LYS B HD3 2 ATOM 2376 H HE2 . LYS B 1 15 ? 11.591 0.075 -11.241 1.00 0.00 ? 15 LYS B HE2 2 ATOM 2377 H HE3 . LYS B 1 15 ? 10.761 -1.024 -12.341 1.00 0.00 ? 15 LYS B HE3 2 ATOM 2378 H HZ1 . LYS B 1 15 ? 9.061 0.580 -10.614 1.00 0.00 ? 15 LYS B HZ1 2 ATOM 2379 H HZ2 . LYS B 1 15 ? 9.907 1.430 -11.807 1.00 0.00 ? 15 LYS B HZ2 2 ATOM 2380 H HZ3 . LYS B 1 15 ? 8.868 0.167 -12.243 1.00 0.00 ? 15 LYS B HZ3 2 ATOM 2381 N N . GLU B 1 16 ? 9.107 -1.825 -4.691 1.00 0.00 ? 16 GLU B N 2 ATOM 2382 C CA . GLU B 1 16 ? 8.134 -2.475 -3.824 1.00 0.00 ? 16 GLU B CA 2 ATOM 2383 C C . GLU B 1 16 ? 7.271 -1.447 -3.097 1.00 0.00 ? 16 GLU B C 2 ATOM 2384 O O . GLU B 1 16 ? 6.078 -1.664 -2.893 1.00 0.00 ? 16 GLU B O 2 ATOM 2385 C CB . GLU B 1 16 ? 8.844 -3.371 -2.807 1.00 0.00 ? 16 GLU B CB 2 ATOM 2386 C CG . GLU B 1 16 ? 9.291 -4.706 -3.380 1.00 0.00 ? 16 GLU B CG 2 ATOM 2387 C CD . GLU B 1 16 ? 8.258 -5.798 -3.187 1.00 0.00 ? 16 GLU B CD 2 ATOM 2388 O OE1 . GLU B 1 16 ? 7.638 -5.845 -2.103 1.00 0.00 ? 16 GLU B OE1 2 ATOM 2389 O OE2 . GLU B 1 16 ? 8.069 -6.608 -4.119 1.00 0.00 ? 16 GLU B OE2 2 ATOM 2390 H H . GLU B 1 16 ? 10.041 -1.776 -4.402 1.00 0.00 ? 16 GLU B H 2 ATOM 2391 H HA . GLU B 1 16 ? 7.495 -3.087 -4.443 1.00 0.00 ? 16 GLU B HA 2 ATOM 2392 H HB2 . GLU B 1 16 ? 9.715 -2.853 -2.435 1.00 0.00 ? 16 GLU B HB2 2 ATOM 2393 H HB3 . GLU B 1 16 ? 8.172 -3.565 -1.984 1.00 0.00 ? 16 GLU B HB3 2 ATOM 2394 H HG2 . GLU B 1 16 ? 9.472 -4.586 -4.439 1.00 0.00 ? 16 GLU B HG2 2 ATOM 2395 H HG3 . GLU B 1 16 ? 10.206 -5.004 -2.891 1.00 0.00 ? 16 GLU B HG3 2 ATOM 2396 N N . ILE B 1 17 ? 7.878 -0.329 -2.704 1.00 0.00 ? 17 ILE B N 2 ATOM 2397 C CA . ILE B 1 17 ? 7.150 0.720 -2.000 1.00 0.00 ? 17 ILE B CA 2 ATOM 2398 C C . ILE B 1 17 ? 6.190 1.451 -2.943 1.00 0.00 ? 17 ILE B C 2 ATOM 2399 O O . ILE B 1 17 ? 5.094 1.849 -2.546 1.00 0.00 ? 17 ILE B O 2 ATOM 2400 C CB . ILE B 1 17 ? 8.123 1.725 -1.320 1.00 0.00 ? 17 ILE B CB 2 ATOM 2401 C CG1 . ILE B 1 17 ? 8.615 2.802 -2.297 1.00 0.00 ? 17 ILE B CG1 2 ATOM 2402 C CG2 . ILE B 1 17 ? 9.310 0.980 -0.732 1.00 0.00 ? 17 ILE B CG2 2 ATOM 2403 C CD1 . ILE B 1 17 ? 7.817 4.086 -2.234 1.00 0.00 ? 17 ILE B CD1 2 ATOM 2404 H H . ILE B 1 17 ? 8.835 -0.209 -2.888 1.00 0.00 ? 17 ILE B H 2 ATOM 2405 H HA . ILE B 1 17 ? 6.564 0.248 -1.223 1.00 0.00 ? 17 ILE B HA 2 ATOM 2406 H HB . ILE B 1 17 ? 7.596 2.200 -0.506 1.00 0.00 ? 17 ILE B HB 2 ATOM 2407 H HG12 . ILE B 1 17 ? 9.643 3.040 -2.072 1.00 0.00 ? 17 ILE B HG12 2 ATOM 2408 H HG13 . ILE B 1 17 ? 8.553 2.421 -3.305 1.00 0.00 ? 17 ILE B HG13 2 ATOM 2409 H HG21 . ILE B 1 17 ? 9.116 -0.082 -0.750 1.00 0.00 ? 17 ILE B HG21 2 ATOM 2410 H HG22 . ILE B 1 17 ? 10.194 1.195 -1.315 1.00 0.00 ? 17 ILE B HG22 2 ATOM 2411 H HG23 . ILE B 1 17 ? 9.465 1.300 0.286 1.00 0.00 ? 17 ILE B HG23 2 ATOM 2412 H HD11 . ILE B 1 17 ? 6.853 3.888 -1.790 1.00 0.00 ? 17 ILE B HD11 2 ATOM 2413 H HD12 . ILE B 1 17 ? 8.348 4.811 -1.633 1.00 0.00 ? 17 ILE B HD12 2 ATOM 2414 H HD13 . ILE B 1 17 ? 7.681 4.476 -3.232 1.00 0.00 ? 17 ILE B HD13 2 ATOM 2415 N N . GLU B 1 18 ? 6.611 1.613 -4.193 1.00 0.00 ? 18 GLU B N 2 ATOM 2416 C CA . GLU B 1 18 ? 5.791 2.285 -5.194 1.00 0.00 ? 18 GLU B CA 2 ATOM 2417 C C . GLU B 1 18 ? 4.648 1.384 -5.647 1.00 0.00 ? 18 GLU B C 2 ATOM 2418 O O . GLU B 1 18 ? 3.526 1.843 -5.855 1.00 0.00 ? 18 GLU B O 2 ATOM 2419 C CB . GLU B 1 18 ? 6.645 2.694 -6.396 1.00 0.00 ? 18 GLU B CB 2 ATOM 2420 C CG . GLU B 1 18 ? 7.798 3.617 -6.037 1.00 0.00 ? 18 GLU B CG 2 ATOM 2421 C CD . GLU B 1 18 ? 8.891 3.618 -7.086 1.00 0.00 ? 18 GLU B CD 2 ATOM 2422 O OE1 . GLU B 1 18 ? 8.962 2.650 -7.872 1.00 0.00 ? 18 GLU B OE1 2 ATOM 2423 O OE2 . GLU B 1 18 ? 9.677 4.588 -7.124 1.00 0.00 ? 18 GLU B OE2 2 ATOM 2424 H H . GLU B 1 18 ? 7.491 1.268 -4.452 1.00 0.00 ? 18 GLU B H 2 ATOM 2425 H HA . GLU B 1 18 ? 5.375 3.173 -4.740 1.00 0.00 ? 18 GLU B HA 2 ATOM 2426 H HB2 . GLU B 1 18 ? 7.052 1.803 -6.851 1.00 0.00 ? 18 GLU B HB2 2 ATOM 2427 H HB3 . GLU B 1 18 ? 6.016 3.199 -7.114 1.00 0.00 ? 18 GLU B HB3 2 ATOM 2428 H HG2 . GLU B 1 18 ? 7.418 4.622 -5.933 1.00 0.00 ? 18 GLU B HG2 2 ATOM 2429 H HG3 . GLU B 1 18 ? 8.221 3.294 -5.097 1.00 0.00 ? 18 GLU B HG3 2 ATOM 2430 N N . ARG B 1 19 ? 4.943 0.096 -5.793 1.00 0.00 ? 19 ARG B N 2 ATOM 2431 C CA . ARG B 1 19 ? 3.940 -0.872 -6.216 1.00 0.00 ? 19 ARG B CA 2 ATOM 2432 C C . ARG B 1 19 ? 2.899 -1.079 -5.122 1.00 0.00 ? 19 ARG B C 2 ATOM 2433 O O . ARG B 1 19 ? 1.726 -1.327 -5.404 1.00 0.00 ? 19 ARG B O 2 ATOM 2434 C CB . ARG B 1 19 ? 4.603 -2.207 -6.566 1.00 0.00 ? 19 ARG B CB 2 ATOM 2435 C CG . ARG B 1 19 ? 5.192 -2.244 -7.966 1.00 0.00 ? 19 ARG B CG 2 ATOM 2436 C CD . ARG B 1 19 ? 4.254 -2.929 -8.947 1.00 0.00 ? 19 ARG B CD 2 ATOM 2437 N NE . ARG B 1 19 ? 4.976 -3.758 -9.908 1.00 0.00 ? 19 ARG B NE 2 ATOM 2438 C CZ . ARG B 1 19 ? 5.699 -4.819 -9.567 1.00 0.00 ? 19 ARG B CZ 2 ATOM 2439 N NH1 . ARG B 1 19 ? 5.795 -5.179 -8.294 1.00 0.00 ? 19 ARG B NH1 2 ATOM 2440 N NH2 . ARG B 1 19 ? 6.327 -5.524 -10.499 1.00 0.00 ? 19 ARG B NH2 2 ATOM 2441 H H . ARG B 1 19 ? 5.855 -0.210 -5.608 1.00 0.00 ? 19 ARG B H 2 ATOM 2442 H HA . ARG B 1 19 ? 3.450 -0.481 -7.095 1.00 0.00 ? 19 ARG B HA 2 ATOM 2443 H HB2 . ARG B 1 19 ? 5.397 -2.397 -5.859 1.00 0.00 ? 19 ARG B HB2 2 ATOM 2444 H HB3 . ARG B 1 19 ? 3.866 -2.993 -6.488 1.00 0.00 ? 19 ARG B HB3 2 ATOM 2445 H HG2 . ARG B 1 19 ? 5.369 -1.233 -8.299 1.00 0.00 ? 19 ARG B HG2 2 ATOM 2446 H HG3 . ARG B 1 19 ? 6.127 -2.784 -7.938 1.00 0.00 ? 19 ARG B HG3 2 ATOM 2447 H HD2 . ARG B 1 19 ? 3.568 -3.552 -8.394 1.00 0.00 ? 19 ARG B HD2 2 ATOM 2448 H HD3 . ARG B 1 19 ? 3.700 -2.172 -9.483 1.00 0.00 ? 19 ARG B HD3 2 ATOM 2449 H HE . ARG B 1 19 ? 4.920 -3.509 -10.854 1.00 0.00 ? 19 ARG B HE 2 ATOM 2450 H HH11 . ARG B 1 19 ? 5.323 -4.649 -7.589 1.00 0.00 ? 19 ARG B HH11 2 ATOM 2451 H HH12 . ARG B 1 19 ? 6.338 -5.978 -8.039 1.00 0.00 ? 19 ARG B HH12 2 ATOM 2452 H HH21 . ARG B 1 19 ? 6.257 -5.256 -11.460 1.00 0.00 ? 19 ARG B HH21 2 ATOM 2453 H HH22 . ARG B 1 19 ? 6.870 -6.322 -10.241 1.00 0.00 ? 19 ARG B HH22 2 ATOM 2454 N N . LEU B 1 20 ? 3.334 -0.966 -3.871 1.00 0.00 ? 20 LEU B N 2 ATOM 2455 C CA . LEU B 1 20 ? 2.439 -1.132 -2.736 1.00 0.00 ? 20 LEU B CA 2 ATOM 2456 C C . LEU B 1 20 ? 1.464 0.036 -2.655 1.00 0.00 ? 20 LEU B C 2 ATOM 2457 O O . LEU B 1 20 ? 0.283 -0.146 -2.358 1.00 0.00 ? 20 LEU B O 2 ATOM 2458 C CB . LEU B 1 20 ? 3.242 -1.244 -1.439 1.00 0.00 ? 20 LEU B CB 2 ATOM 2459 C CG . LEU B 1 20 ? 2.917 -2.468 -0.580 1.00 0.00 ? 20 LEU B CG 2 ATOM 2460 C CD1 . LEU B 1 20 ? 3.786 -2.490 0.668 1.00 0.00 ? 20 LEU B CD1 2 ATOM 2461 C CD2 . LEU B 1 20 ? 1.443 -2.480 -0.206 1.00 0.00 ? 20 LEU B CD2 2 ATOM 2462 H H . LEU B 1 20 ? 4.278 -0.759 -3.708 1.00 0.00 ? 20 LEU B H 2 ATOM 2463 H HA . LEU B 1 20 ? 1.880 -2.044 -2.885 1.00 0.00 ? 20 LEU B HA 2 ATOM 2464 H HB2 . LEU B 1 20 ? 4.292 -1.278 -1.694 1.00 0.00 ? 20 LEU B HB2 2 ATOM 2465 H HB3 . LEU B 1 20 ? 3.062 -0.361 -0.850 1.00 0.00 ? 20 LEU B HB3 2 ATOM 2466 H HG . LEU B 1 20 ? 3.127 -3.363 -1.148 1.00 0.00 ? 20 LEU B HG 2 ATOM 2467 H HD11 . LEU B 1 20 ? 4.740 -2.034 0.450 1.00 0.00 ? 20 LEU B HD11 2 ATOM 2468 H HD12 . LEU B 1 20 ? 3.296 -1.940 1.457 1.00 0.00 ? 20 LEU B HD12 2 ATOM 2469 H HD13 . LEU B 1 20 ? 3.939 -3.512 0.982 1.00 0.00 ? 20 LEU B HD13 2 ATOM 2470 H HD21 . LEU B 1 20 ? 0.888 -1.881 -0.913 1.00 0.00 ? 20 LEU B HD21 2 ATOM 2471 H HD22 . LEU B 1 20 ? 1.074 -3.495 -0.227 1.00 0.00 ? 20 LEU B HD22 2 ATOM 2472 H HD23 . LEU B 1 20 ? 1.320 -2.071 0.786 1.00 0.00 ? 20 LEU B HD23 2 ATOM 2473 N N . GLN B 1 21 ? 1.964 1.237 -2.931 1.00 0.00 ? 21 GLN B N 2 ATOM 2474 C CA . GLN B 1 21 ? 1.135 2.435 -2.902 1.00 0.00 ? 21 GLN B CA 2 ATOM 2475 C C . GLN B 1 21 ? 0.018 2.338 -3.936 1.00 0.00 ? 21 GLN B C 2 ATOM 2476 O O . GLN B 1 21 ? -1.134 2.672 -3.656 1.00 0.00 ? 21 GLN B O 2 ATOM 2477 C CB . GLN B 1 21 ? 1.986 3.678 -3.167 1.00 0.00 ? 21 GLN B CB 2 ATOM 2478 C CG . GLN B 1 21 ? 1.193 4.975 -3.134 1.00 0.00 ? 21 GLN B CG 2 ATOM 2479 C CD . GLN B 1 21 ? 2.039 6.164 -2.722 1.00 0.00 ? 21 GLN B CD 2 ATOM 2480 O OE1 . GLN B 1 21 ? 2.481 6.947 -3.563 1.00 0.00 ? 21 GLN B OE1 2 ATOM 2481 N NE2 . GLN B 1 21 ? 2.270 6.305 -1.422 1.00 0.00 ? 21 GLN B NE2 2 ATOM 2482 H H . GLN B 1 21 ? 2.914 1.317 -3.169 1.00 0.00 ? 21 GLN B H 2 ATOM 2483 H HA . GLN B 1 21 ? 0.695 2.511 -1.920 1.00 0.00 ? 21 GLN B HA 2 ATOM 2484 H HB2 . GLN B 1 21 ? 2.761 3.736 -2.418 1.00 0.00 ? 21 GLN B HB2 2 ATOM 2485 H HB3 . GLN B 1 21 ? 2.443 3.586 -4.141 1.00 0.00 ? 21 GLN B HB3 2 ATOM 2486 H HG2 . GLN B 1 21 ? 0.792 5.162 -4.119 1.00 0.00 ? 21 GLN B HG2 2 ATOM 2487 H HG3 . GLN B 1 21 ? 0.381 4.868 -2.429 1.00 0.00 ? 21 GLN B HG3 2 ATOM 2488 H HE21 . GLN B 1 21 ? 1.887 5.642 -0.810 1.00 0.00 ? 21 GLN B HE21 2 ATOM 2489 H HE22 . GLN B 1 21 ? 2.814 7.065 -1.128 1.00 0.00 ? 21 GLN B HE22 2 ATOM 2490 N N . LYS B 1 22 ? 0.365 1.872 -5.131 1.00 0.00 ? 22 LYS B N 2 ATOM 2491 C CA . LYS B 1 22 ? -0.608 1.727 -6.206 1.00 0.00 ? 22 LYS B CA 2 ATOM 2492 C C . LYS B 1 22 ? -1.684 0.714 -5.826 1.00 0.00 ? 22 LYS B C 2 ATOM 2493 O O . LYS B 1 22 ? -2.854 0.876 -6.174 1.00 0.00 ? 22 LYS B O 2 ATOM 2494 C CB . LYS B 1 22 ? 0.086 1.291 -7.497 1.00 0.00 ? 22 LYS B CB 2 ATOM 2495 C CG . LYS B 1 22 ? -0.864 1.117 -8.670 1.00 0.00 ? 22 LYS B CG 2 ATOM 2496 C CD . LYS B 1 22 ? -0.709 -0.251 -9.314 1.00 0.00 ? 22 LYS B CD 2 ATOM 2497 C CE . LYS B 1 22 ? -1.598 -1.286 -8.645 1.00 0.00 ? 22 LYS B CE 2 ATOM 2498 N NZ . LYS B 1 22 ? -1.490 -2.619 -9.300 1.00 0.00 ? 22 LYS B NZ 2 ATOM 2499 H H . LYS B 1 22 ? 1.299 1.619 -5.294 1.00 0.00 ? 22 LYS B H 2 ATOM 2500 H HA . LYS B 1 22 ? -1.075 2.688 -6.364 1.00 0.00 ? 22 LYS B HA 2 ATOM 2501 H HB2 . LYS B 1 22 ? 0.823 2.034 -7.765 1.00 0.00 ? 22 LYS B HB2 2 ATOM 2502 H HB3 . LYS B 1 22 ? 0.585 0.348 -7.323 1.00 0.00 ? 22 LYS B HB3 2 ATOM 2503 H HG2 . LYS B 1 22 ? -1.879 1.225 -8.318 1.00 0.00 ? 22 LYS B HG2 2 ATOM 2504 H HG3 . LYS B 1 22 ? -0.653 1.879 -9.407 1.00 0.00 ? 22 LYS B HG3 2 ATOM 2505 H HD2 . LYS B 1 22 ? -0.980 -0.180 -10.357 1.00 0.00 ? 22 LYS B HD2 2 ATOM 2506 H HD3 . LYS B 1 22 ? 0.321 -0.564 -9.228 1.00 0.00 ? 22 LYS B HD3 2 ATOM 2507 H HE2 . LYS B 1 22 ? -1.305 -1.378 -7.610 1.00 0.00 ? 22 LYS B HE2 2 ATOM 2508 H HE3 . LYS B 1 22 ? -2.624 -0.950 -8.698 1.00 0.00 ? 22 LYS B HE3 2 ATOM 2509 H HZ1 . LYS B 1 22 ? -0.904 -2.551 -10.155 1.00 0.00 ? 22 LYS B HZ1 2 ATOM 2510 H HZ2 . LYS B 1 22 ? -1.054 -3.303 -8.649 1.00 0.00 ? 22 LYS B HZ2 2 ATOM 2511 H HZ3 . LYS B 1 22 ? -2.435 -2.964 -9.566 1.00 0.00 ? 22 LYS B HZ3 2 ATOM 2512 N N . GLU B 1 23 ? -1.278 -0.331 -5.111 1.00 0.00 ? 23 GLU B N 2 ATOM 2513 C CA . GLU B 1 23 ? -2.206 -1.370 -4.682 1.00 0.00 ? 23 GLU B CA 2 ATOM 2514 C C . GLU B 1 23 ? -3.232 -0.819 -3.697 1.00 0.00 ? 23 GLU B C 2 ATOM 2515 O O . GLU B 1 23 ? -4.412 -1.173 -3.749 1.00 0.00 ? 23 GLU B O 2 ATOM 2516 C CB . GLU B 1 23 ? -1.443 -2.532 -4.042 1.00 0.00 ? 23 GLU B CB 2 ATOM 2517 C CG . GLU B 1 23 ? -2.308 -3.751 -3.767 1.00 0.00 ? 23 GLU B CG 2 ATOM 2518 C CD . GLU B 1 23 ? -1.731 -5.021 -4.359 1.00 0.00 ? 23 GLU B CD 2 ATOM 2519 O OE1 . GLU B 1 23 ? -1.199 -4.961 -5.487 1.00 0.00 ? 23 GLU B OE1 2 ATOM 2520 O OE2 . GLU B 1 23 ? -1.813 -6.077 -3.697 1.00 0.00 ? 23 GLU B OE2 2 ATOM 2521 H H . GLU B 1 23 ? -0.331 -0.403 -4.865 1.00 0.00 ? 23 GLU B H 2 ATOM 2522 H HA . GLU B 1 23 ? -2.724 -1.733 -5.558 1.00 0.00 ? 23 GLU B HA 2 ATOM 2523 H HB2 . GLU B 1 23 ? -0.641 -2.828 -4.703 1.00 0.00 ? 23 GLU B HB2 2 ATOM 2524 H HB3 . GLU B 1 23 ? -1.021 -2.197 -3.106 1.00 0.00 ? 23 GLU B HB3 2 ATOM 2525 H HG2 . GLU B 1 23 ? -2.397 -3.879 -2.698 1.00 0.00 ? 23 GLU B HG2 2 ATOM 2526 H HG3 . GLU B 1 23 ? -3.287 -3.584 -4.191 1.00 0.00 ? 23 GLU B HG3 2 ATOM 2527 N N . ILE B 1 24 ? -2.781 0.054 -2.802 1.00 0.00 ? 24 ILE B N 2 ATOM 2528 C CA . ILE B 1 24 ? -3.672 0.649 -1.811 1.00 0.00 ? 24 ILE B CA 2 ATOM 2529 C C . ILE B 1 24 ? -4.754 1.476 -2.509 1.00 0.00 ? 24 ILE B C 2 ATOM 2530 O O . ILE B 1 24 ? -5.926 1.439 -2.129 1.00 0.00 ? 24 ILE B O 2 ATOM 2531 C CB . ILE B 1 24 ? -2.904 1.509 -0.753 1.00 0.00 ? 24 ILE B CB 2 ATOM 2532 C CG1 . ILE B 1 24 ? -2.837 2.996 -1.136 1.00 0.00 ? 24 ILE B CG1 2 ATOM 2533 C CG2 . ILE B 1 24 ? -1.497 0.969 -0.537 1.00 0.00 ? 24 ILE B CG2 2 ATOM 2534 C CD1 . ILE B 1 24 ? -4.085 3.763 -0.752 1.00 0.00 ? 24 ILE B CD1 2 ATOM 2535 H H . ILE B 1 24 ? -1.834 0.303 -2.812 1.00 0.00 ? 24 ILE B H 2 ATOM 2536 H HA . ILE B 1 24 ? -4.158 -0.165 -1.286 1.00 0.00 ? 24 ILE B HA 2 ATOM 2537 H HB . ILE B 1 24 ? -3.431 1.418 0.186 1.00 0.00 ? 24 ILE B HB 2 ATOM 2538 H HG12 . ILE B 1 24 ? -1.997 3.454 -0.636 1.00 0.00 ? 24 ILE B HG12 2 ATOM 2539 H HG13 . ILE B 1 24 ? -2.708 3.082 -2.203 1.00 0.00 ? 24 ILE B HG13 2 ATOM 2540 H HG21 . ILE B 1 24 ? -1.430 -0.031 -0.937 1.00 0.00 ? 24 ILE B HG21 2 ATOM 2541 H HG22 . ILE B 1 24 ? -0.786 1.606 -1.041 1.00 0.00 ? 24 ILE B HG22 2 ATOM 2542 H HG23 . ILE B 1 24 ? -1.277 0.951 0.518 1.00 0.00 ? 24 ILE B HG23 2 ATOM 2543 H HD11 . ILE B 1 24 ? -4.787 3.093 -0.273 1.00 0.00 ? 24 ILE B HD11 2 ATOM 2544 H HD12 . ILE B 1 24 ? -3.823 4.558 -0.069 1.00 0.00 ? 24 ILE B HD12 2 ATOM 2545 H HD13 . ILE B 1 24 ? -4.536 4.185 -1.638 1.00 0.00 ? 24 ILE B HD13 2 ATOM 2546 N N . GLU B 1 25 ? -4.345 2.213 -3.539 1.00 0.00 ? 25 GLU B N 2 ATOM 2547 C CA . GLU B 1 25 ? -5.269 3.043 -4.302 1.00 0.00 ? 25 GLU B CA 2 ATOM 2548 C C . GLU B 1 25 ? -6.357 2.183 -4.932 1.00 0.00 ? 25 GLU B C 2 ATOM 2549 O O . GLU B 1 25 ? -7.531 2.554 -4.938 1.00 0.00 ? 25 GLU B O 2 ATOM 2550 C CB . GLU B 1 25 ? -4.518 3.817 -5.387 1.00 0.00 ? 25 GLU B CB 2 ATOM 2551 C CG . GLU B 1 25 ? -4.482 5.317 -5.149 1.00 0.00 ? 25 GLU B CG 2 ATOM 2552 C CD . GLU B 1 25 ? -3.166 5.781 -4.554 1.00 0.00 ? 25 GLU B CD 2 ATOM 2553 O OE1 . GLU B 1 25 ? -2.117 5.203 -4.909 1.00 0.00 ? 25 GLU B OE1 2 ATOM 2554 O OE2 . GLU B 1 25 ? -3.185 6.721 -3.732 1.00 0.00 ? 25 GLU B OE2 2 ATOM 2555 H H . GLU B 1 25 ? -3.399 2.194 -3.795 1.00 0.00 ? 25 GLU B H 2 ATOM 2556 H HA . GLU B 1 25 ? -5.728 3.744 -3.621 1.00 0.00 ? 25 GLU B HA 2 ATOM 2557 H HB2 . GLU B 1 25 ? -3.501 3.456 -5.432 1.00 0.00 ? 25 GLU B HB2 2 ATOM 2558 H HB3 . GLU B 1 25 ? -4.997 3.637 -6.338 1.00 0.00 ? 25 GLU B HB3 2 ATOM 2559 H HG2 . GLU B 1 25 ? -4.630 5.823 -6.091 1.00 0.00 ? 25 GLU B HG2 2 ATOM 2560 H HG3 . GLU B 1 25 ? -5.280 5.581 -4.470 1.00 0.00 ? 25 GLU B HG3 2 ATOM 2561 N N . ARG B 1 26 ? -5.959 1.026 -5.454 1.00 0.00 ? 26 ARG B N 2 ATOM 2562 C CA . ARG B 1 26 ? -6.904 0.109 -6.075 1.00 0.00 ? 26 ARG B CA 2 ATOM 2563 C C . ARG B 1 26 ? -8.012 -0.245 -5.092 1.00 0.00 ? 26 ARG B C 2 ATOM 2564 O O . ARG B 1 26 ? -9.194 -0.233 -5.437 1.00 0.00 ? 26 ARG B O 2 ATOM 2565 C CB . ARG B 1 26 ? -6.189 -1.162 -6.540 1.00 0.00 ? 26 ARG B CB 2 ATOM 2566 C CG . ARG B 1 26 ? -5.706 -1.094 -7.980 1.00 0.00 ? 26 ARG B CG 2 ATOM 2567 C CD . ARG B 1 26 ? -6.733 -1.673 -8.939 1.00 0.00 ? 26 ARG B CD 2 ATOM 2568 N NE . ARG B 1 26 ? -6.107 -2.359 -10.065 1.00 0.00 ? 26 ARG B NE 2 ATOM 2569 C CZ . ARG B 1 26 ? -6.771 -2.769 -11.141 1.00 0.00 ? 26 ARG B CZ 2 ATOM 2570 N NH1 . ARG B 1 26 ? -8.078 -2.563 -11.234 1.00 0.00 ? 26 ARG B NH1 2 ATOM 2571 N NH2 . ARG B 1 26 ? -6.130 -3.385 -12.124 1.00 0.00 ? 26 ARG B NH2 2 ATOM 2572 H H . ARG B 1 26 ? -5.011 0.782 -5.412 1.00 0.00 ? 26 ARG B H 2 ATOM 2573 H HA . ARG B 1 26 ? -7.339 0.605 -6.930 1.00 0.00 ? 26 ARG B HA 2 ATOM 2574 H HB2 . ARG B 1 26 ? -5.333 -1.332 -5.904 1.00 0.00 ? 26 ARG B HB2 2 ATOM 2575 H HB3 . ARG B 1 26 ? -6.867 -1.996 -6.449 1.00 0.00 ? 26 ARG B HB3 2 ATOM 2576 H HG2 . ARG B 1 26 ? -5.526 -0.064 -8.242 1.00 0.00 ? 26 ARG B HG2 2 ATOM 2577 H HG3 . ARG B 1 26 ? -4.789 -1.658 -8.068 1.00 0.00 ? 26 ARG B HG3 2 ATOM 2578 H HD2 . ARG B 1 26 ? -7.353 -2.376 -8.402 1.00 0.00 ? 26 ARG B HD2 2 ATOM 2579 H HD3 . ARG B 1 26 ? -7.348 -0.868 -9.316 1.00 0.00 ? 26 ARG B HD3 2 ATOM 2580 H HE . ARG B 1 26 ? -5.141 -2.522 -10.017 1.00 0.00 ? 26 ARG B HE 2 ATOM 2581 H HH11 . ARG B 1 26 ? -8.564 -2.098 -10.494 1.00 0.00 ? 26 ARG B HH11 2 ATOM 2582 H HH12 . ARG B 1 26 ? -8.576 -2.872 -12.043 1.00 0.00 ? 26 ARG B HH12 2 ATOM 2583 H HH21 . ARG B 1 26 ? -5.144 -3.542 -12.057 1.00 0.00 ? 26 ARG B HH21 2 ATOM 2584 H HH22 . ARG B 1 26 ? -6.632 -3.694 -12.932 1.00 0.00 ? 26 ARG B HH22 2 ATOM 2585 N N . HIS B 1 27 ? -7.619 -0.545 -3.858 1.00 0.00 ? 27 HIS B N 2 ATOM 2586 C CA . HIS B 1 27 ? -8.579 -0.886 -2.818 1.00 0.00 ? 27 HIS B CA 2 ATOM 2587 C C . HIS B 1 27 ? -9.459 0.318 -2.500 1.00 0.00 ? 27 HIS B C 2 ATOM 2588 O O . HIS B 1 27 ? -10.605 0.169 -2.080 1.00 0.00 ? 27 HIS B O 2 ATOM 2589 C CB . HIS B 1 27 ? -7.853 -1.355 -1.557 1.00 0.00 ? 27 HIS B CB 2 ATOM 2590 C CG . HIS B 1 27 ? -8.290 -2.706 -1.084 1.00 0.00 ? 27 HIS B CG 2 ATOM 2591 N ND1 . HIS B 1 27 ? -9.341 -2.896 -0.210 1.00 0.00 ? 27 HIS B ND1 2 ATOM 2592 C CD2 . HIS B 1 27 ? -7.812 -3.942 -1.366 1.00 0.00 ? 27 HIS B CD2 2 ATOM 2593 C CE1 . HIS B 1 27 ? -9.490 -4.187 0.023 1.00 0.00 ? 27 HIS B CE1 2 ATOM 2594 N NE2 . HIS B 1 27 ? -8.576 -4.843 -0.666 1.00 0.00 ? 27 HIS B NE2 2 ATOM 2595 H H . HIS B 1 27 ? -6.663 -0.526 -3.638 1.00 0.00 ? 27 HIS B H 2 ATOM 2596 H HA . HIS B 1 27 ? -9.201 -1.686 -3.189 1.00 0.00 ? 27 HIS B HA 2 ATOM 2597 H HB2 . HIS B 1 27 ? -6.793 -1.402 -1.757 1.00 0.00 ? 27 HIS B HB2 2 ATOM 2598 H HB3 . HIS B 1 27 ? -8.034 -0.648 -0.761 1.00 0.00 ? 27 HIS B HB3 2 ATOM 2599 H HD1 . HIS B 1 27 ? -9.895 -2.187 0.181 1.00 0.00 ? 27 HIS B HD1 2 ATOM 2600 H HD2 . HIS B 1 27 ? -6.985 -4.175 -2.022 1.00 0.00 ? 27 HIS B HD2 2 ATOM 2601 H HE1 . HIS B 1 27 ? -10.234 -4.631 0.668 1.00 0.00 ? 27 HIS B HE1 2 ATOM 2602 H HE2 . HIS B 1 27 ? -8.462 -5.816 -0.676 1.00 0.00 ? 27 HIS B HE2 2 ATOM 2603 N N . LYS B 1 28 ? -8.908 1.511 -2.710 1.00 0.00 ? 28 LYS B N 2 ATOM 2604 C CA . LYS B 1 28 ? -9.635 2.749 -2.454 1.00 0.00 ? 28 LYS B CA 2 ATOM 2605 C C . LYS B 1 28 ? -10.673 3.002 -3.542 1.00 0.00 ? 28 LYS B C 2 ATOM 2606 O O . LYS B 1 28 ? -11.659 3.705 -3.321 1.00 0.00 ? 28 LYS B O 2 ATOM 2607 C CB . LYS B 1 28 ? -8.664 3.928 -2.376 1.00 0.00 ? 28 LYS B CB 2 ATOM 2608 C CG . LYS B 1 28 ? -9.262 5.167 -1.731 1.00 0.00 ? 28 LYS B CG 2 ATOM 2609 C CD . LYS B 1 28 ? -8.850 6.433 -2.466 1.00 0.00 ? 28 LYS B CD 2 ATOM 2610 C CE . LYS B 1 28 ? -9.834 6.782 -3.570 1.00 0.00 ? 28 LYS B CE 2 ATOM 2611 N NZ . LYS B 1 28 ? -10.061 8.251 -3.668 1.00 0.00 ? 28 LYS B NZ 2 ATOM 2612 H H . LYS B 1 28 ? -7.990 1.560 -3.047 1.00 0.00 ? 28 LYS B H 2 ATOM 2613 H HA . LYS B 1 28 ? -10.141 2.649 -1.507 1.00 0.00 ? 28 LYS B HA 2 ATOM 2614 H HB2 . LYS B 1 28 ? -7.800 3.630 -1.801 1.00 0.00 ? 28 LYS B HB2 2 ATOM 2615 H HB3 . LYS B 1 28 ? -8.348 4.186 -3.376 1.00 0.00 ? 28 LYS B HB3 2 ATOM 2616 H HG2 . LYS B 1 28 ? -10.339 5.087 -1.751 1.00 0.00 ? 28 LYS B HG2 2 ATOM 2617 H HG3 . LYS B 1 28 ? -8.922 5.229 -0.708 1.00 0.00 ? 28 LYS B HG3 2 ATOM 2618 H HD2 . LYS B 1 28 ? -8.809 7.249 -1.762 1.00 0.00 ? 28 LYS B HD2 2 ATOM 2619 H HD3 . LYS B 1 28 ? -7.873 6.282 -2.902 1.00 0.00 ? 28 LYS B HD3 2 ATOM 2620 H HE2 . LYS B 1 28 ? -9.444 6.424 -4.510 1.00 0.00 ? 28 LYS B HE2 2 ATOM 2621 H HE3 . LYS B 1 28 ? -10.775 6.294 -3.362 1.00 0.00 ? 28 LYS B HE3 2 ATOM 2622 H HZ1 . LYS B 1 28 ? -9.164 8.760 -3.535 1.00 0.00 ? 28 LYS B HZ1 2 ATOM 2623 H HZ2 . LYS B 1 28 ? -10.448 8.492 -4.602 1.00 0.00 ? 28 LYS B HZ2 2 ATOM 2624 H HZ3 . LYS B 1 28 ? -10.733 8.559 -2.936 1.00 0.00 ? 28 LYS B HZ3 2 ATOM 2625 N N . GLN B 1 29 ? -10.447 2.423 -4.719 1.00 0.00 ? 29 GLN B N 2 ATOM 2626 C CA . GLN B 1 29 ? -11.366 2.584 -5.838 1.00 0.00 ? 29 GLN B CA 2 ATOM 2627 C C . GLN B 1 29 ? -12.557 1.644 -5.698 1.00 0.00 ? 29 GLN B C 2 ATOM 2628 O O . GLN B 1 29 ? -13.676 1.981 -6.084 1.00 0.00 ? 29 GLN B O 2 ATOM 2629 C CB . GLN B 1 29 ? -10.645 2.320 -7.161 1.00 0.00 ? 29 GLN B CB 2 ATOM 2630 C CG . GLN B 1 29 ? -11.569 2.315 -8.367 1.00 0.00 ? 29 GLN B CG 2 ATOM 2631 C CD . GLN B 1 29 ? -10.812 2.335 -9.681 1.00 0.00 ? 29 GLN B CD 2 ATOM 2632 O OE1 . GLN B 1 29 ? -10.252 1.324 -10.103 1.00 0.00 ? 29 GLN B OE1 2 ATOM 2633 N NE2 . GLN B 1 29 ? -10.792 3.491 -10.335 1.00 0.00 ? 29 GLN B NE2 2 ATOM 2634 H H . GLN B 1 29 ? -9.645 1.873 -4.834 1.00 0.00 ? 29 GLN B H 2 ATOM 2635 H HA . GLN B 1 29 ? -11.724 3.603 -5.829 1.00 0.00 ? 29 GLN B HA 2 ATOM 2636 H HB2 . GLN B 1 29 ? -9.898 3.086 -7.309 1.00 0.00 ? 29 GLN B HB2 2 ATOM 2637 H HB3 . GLN B 1 29 ? -10.156 1.359 -7.105 1.00 0.00 ? 29 GLN B HB3 2 ATOM 2638 H HG2 . GLN B 1 29 ? -12.179 1.425 -8.334 1.00 0.00 ? 29 GLN B HG2 2 ATOM 2639 H HG3 . GLN B 1 29 ? -12.204 3.188 -8.321 1.00 0.00 ? 29 GLN B HG3 2 ATOM 2640 H HE21 . GLN B 1 29 ? -11.261 4.255 -9.940 1.00 0.00 ? 29 GLN B HE21 2 ATOM 2641 H HE22 . GLN B 1 29 ? -10.310 3.532 -11.188 1.00 0.00 ? 29 GLN B HE22 2 ATOM 2642 N N . SER B 1 30 ? -12.310 0.463 -5.139 1.00 0.00 ? 30 SER B N 2 ATOM 2643 C CA . SER B 1 30 ? -13.366 -0.522 -4.944 1.00 0.00 ? 30 SER B CA 2 ATOM 2644 C C . SER B 1 30 ? -14.237 -0.146 -3.750 1.00 0.00 ? 30 SER B C 2 ATOM 2645 O O . SER B 1 30 ? -15.451 -0.348 -3.764 1.00 0.00 ? 30 SER B O 2 ATOM 2646 C CB . SER B 1 30 ? -12.766 -1.914 -4.735 1.00 0.00 ? 30 SER B CB 2 ATOM 2647 O OG . SER B 1 30 ? -12.460 -2.531 -5.975 1.00 0.00 ? 30 SER B OG 2 ATOM 2648 H H . SER B 1 30 ? -11.397 0.252 -4.849 1.00 0.00 ? 30 SER B H 2 ATOM 2649 H HA . SER B 1 30 ? -13.980 -0.531 -5.832 1.00 0.00 ? 30 SER B HA 2 ATOM 2650 H HB2 . SER B 1 30 ? -11.858 -1.829 -4.157 1.00 0.00 ? 30 SER B HB2 2 ATOM 2651 H HB3 . SER B 1 30 ? -13.475 -2.533 -4.203 1.00 0.00 ? 30 SER B HB3 2 ATOM 2652 H HG . SER B 1 30 ? -13.085 -2.239 -6.642 1.00 0.00 ? 30 SER B HG 2 ATOM 2653 N N . ILE B 1 31 ? -13.607 0.408 -2.720 1.00 0.00 ? 31 ILE B N 2 ATOM 2654 C CA . ILE B 1 31 ? -14.322 0.820 -1.518 1.00 0.00 ? 31 ILE B CA 2 ATOM 2655 C C . ILE B 1 31 ? -15.044 2.141 -1.744 1.00 0.00 ? 31 ILE B C 2 ATOM 2656 O O . ILE B 1 31 ? -16.121 2.375 -1.195 1.00 0.00 ? 31 ILE B O 2 ATOM 2657 C CB . ILE B 1 31 ? -13.368 0.960 -0.317 1.00 0.00 ? 31 ILE B CB 2 ATOM 2658 C CG1 . ILE B 1 31 ? -14.179 1.209 0.975 1.00 0.00 ? 31 ILE B CG1 2 ATOM 2659 C CG2 . ILE B 1 31 ? -12.338 2.055 -0.586 1.00 0.00 ? 31 ILE B CG2 2 ATOM 2660 C CD1 . ILE B 1 31 ? -14.144 2.632 1.509 1.00 0.00 ? 31 ILE B CD1 2 ATOM 2661 H H . ILE B 1 31 ? -12.639 0.547 -2.770 1.00 0.00 ? 31 ILE B H 2 ATOM 2662 H HA . ILE B 1 31 ? -15.052 0.057 -1.287 1.00 0.00 ? 31 ILE B HA 2 ATOM 2663 H HB . ILE B 1 31 ? -12.830 0.029 -0.211 1.00 0.00 ? 31 ILE B HB 2 ATOM 2664 H HG12 . ILE B 1 31 ? -15.213 0.963 0.787 1.00 0.00 ? 31 ILE B HG12 2 ATOM 2665 H HG13 . ILE B 1 31 ? -13.803 0.560 1.750 1.00 0.00 ? 31 ILE B HG13 2 ATOM 2666 H HG21 . ILE B 1 31 ? -11.950 1.944 -1.588 1.00 0.00 ? 31 ILE B HG21 2 ATOM 2667 H HG22 . ILE B 1 31 ? -12.805 3.023 -0.487 1.00 0.00 ? 31 ILE B HG22 2 ATOM 2668 H HG23 . ILE B 1 31 ? -11.529 1.971 0.124 1.00 0.00 ? 31 ILE B HG23 2 ATOM 2669 H HD11 . ILE B 1 31 ? -14.298 3.325 0.695 1.00 0.00 ? 31 ILE B HD11 2 ATOM 2670 H HD12 . ILE B 1 31 ? -14.925 2.758 2.244 1.00 0.00 ? 31 ILE B HD12 2 ATOM 2671 H HD13 . ILE B 1 31 ? -13.184 2.819 1.966 1.00 0.00 ? 31 ILE B HD13 2 ATOM 2672 N N . LYS B 1 32 ? -14.449 3.002 -2.565 1.00 0.00 ? 32 LYS B N 2 ATOM 2673 C CA . LYS B 1 32 ? -15.042 4.297 -2.872 1.00 0.00 ? 32 LYS B CA 2 ATOM 2674 C C . LYS B 1 32 ? -16.170 4.137 -3.885 1.00 0.00 ? 32 LYS B C 2 ATOM 2675 O O . LYS B 1 32 ? -17.132 4.905 -3.887 1.00 0.00 ? 32 LYS B O 2 ATOM 2676 C CB . LYS B 1 32 ? -13.981 5.258 -3.411 1.00 0.00 ? 32 LYS B CB 2 ATOM 2677 C CG . LYS B 1 32 ? -13.516 4.928 -4.819 1.00 0.00 ? 32 LYS B CG 2 ATOM 2678 C CD . LYS B 1 32 ? -14.309 5.698 -5.863 1.00 0.00 ? 32 LYS B CD 2 ATOM 2679 C CE . LYS B 1 32 ? -13.415 6.630 -6.665 1.00 0.00 ? 32 LYS B CE 2 ATOM 2680 N NZ . LYS B 1 32 ? -14.118 7.189 -7.852 1.00 0.00 ? 32 LYS B NZ 2 ATOM 2681 H H . LYS B 1 32 ? -13.596 2.756 -2.980 1.00 0.00 ? 32 LYS B H 2 ATOM 2682 H HA . LYS B 1 32 ? -15.451 4.698 -1.957 1.00 0.00 ? 32 LYS B HA 2 ATOM 2683 H HB2 . LYS B 1 32 ? -14.388 6.258 -3.415 1.00 0.00 ? 32 LYS B HB2 2 ATOM 2684 H HB3 . LYS B 1 32 ? -13.123 5.232 -2.756 1.00 0.00 ? 32 LYS B HB3 2 ATOM 2685 H HG2 . LYS B 1 32 ? -12.471 5.185 -4.913 1.00 0.00 ? 32 LYS B HG2 2 ATOM 2686 H HG3 . LYS B 1 32 ? -13.644 3.869 -4.990 1.00 0.00 ? 32 LYS B HG3 2 ATOM 2687 H HD2 . LYS B 1 32 ? -14.775 4.995 -6.537 1.00 0.00 ? 32 LYS B HD2 2 ATOM 2688 H HD3 . LYS B 1 32 ? -15.069 6.281 -5.365 1.00 0.00 ? 32 LYS B HD3 2 ATOM 2689 H HE2 . LYS B 1 32 ? -13.102 7.444 -6.027 1.00 0.00 ? 32 LYS B HE2 2 ATOM 2690 H HE3 . LYS B 1 32 ? -12.547 6.079 -6.996 1.00 0.00 ? 32 LYS B HE3 2 ATOM 2691 H HZ1 . LYS B 1 32 ? -15.048 7.563 -7.575 1.00 0.00 ? 32 LYS B HZ1 2 ATOM 2692 H HZ2 . LYS B 1 32 ? -13.558 7.959 -8.270 1.00 0.00 ? 32 LYS B HZ2 2 ATOM 2693 H HZ3 . LYS B 1 32 ? -14.256 6.446 -8.568 1.00 0.00 ? 32 LYS B HZ3 2 ATOM 2694 N N . LYS B 1 33 ? -16.047 3.127 -4.741 1.00 0.00 ? 33 LYS B N 2 ATOM 2695 C CA . LYS B 1 33 ? -17.060 2.857 -5.754 1.00 0.00 ? 33 LYS B CA 2 ATOM 2696 C C . LYS B 1 33 ? -18.303 2.250 -5.114 1.00 0.00 ? 33 LYS B C 2 ATOM 2697 O O . LYS B 1 33 ? -19.429 2.556 -5.506 1.00 0.00 ? 33 LYS B O 2 ATOM 2698 C CB . LYS B 1 33 ? -16.507 1.913 -6.823 1.00 0.00 ? 33 LYS B CB 2 ATOM 2699 C CG . LYS B 1 33 ? -17.550 1.463 -7.834 1.00 0.00 ? 33 LYS B CG 2 ATOM 2700 C CD . LYS B 1 33 ? -16.982 1.431 -9.244 1.00 0.00 ? 33 LYS B CD 2 ATOM 2701 C CE . LYS B 1 33 ? -17.452 2.623 -10.060 1.00 0.00 ? 33 LYS B CE 2 ATOM 2702 N NZ . LYS B 1 33 ? -17.683 2.262 -11.486 1.00 0.00 ? 33 LYS B NZ 2 ATOM 2703 H H . LYS B 1 33 ? -15.261 2.544 -4.685 1.00 0.00 ? 33 LYS B H 2 ATOM 2704 H HA . LYS B 1 33 ? -17.328 3.797 -6.214 1.00 0.00 ? 33 LYS B HA 2 ATOM 2705 H HB2 . LYS B 1 33 ? -15.715 2.418 -7.357 1.00 0.00 ? 33 LYS B HB2 2 ATOM 2706 H HB3 . LYS B 1 33 ? -16.104 1.037 -6.340 1.00 0.00 ? 33 LYS B HB3 2 ATOM 2707 H HG2 . LYS B 1 33 ? -17.888 0.472 -7.570 1.00 0.00 ? 33 LYS B HG2 2 ATOM 2708 H HG3 . LYS B 1 33 ? -18.383 2.149 -7.806 1.00 0.00 ? 33 LYS B HG3 2 ATOM 2709 H HD2 . LYS B 1 33 ? -15.904 1.449 -9.187 1.00 0.00 ? 33 LYS B HD2 2 ATOM 2710 H HD3 . LYS B 1 33 ? -17.304 0.521 -9.730 1.00 0.00 ? 33 LYS B HD3 2 ATOM 2711 H HE2 . LYS B 1 33 ? -18.376 2.991 -9.638 1.00 0.00 ? 33 LYS B HE2 2 ATOM 2712 H HE3 . LYS B 1 33 ? -16.700 3.396 -10.010 1.00 0.00 ? 33 LYS B HE3 2 ATOM 2713 H HZ1 . LYS B 1 33 ? -17.133 1.415 -11.735 1.00 0.00 ? 33 LYS B HZ1 2 ATOM 2714 H HZ2 . LYS B 1 33 ? -18.692 2.067 -11.647 1.00 0.00 ? 33 LYS B HZ2 2 ATOM 2715 H HZ3 . LYS B 1 33 ? -17.390 3.046 -12.105 1.00 0.00 ? 33 LYS B HZ3 2 ATOM 2716 N N . LEU B 1 34 ? -18.088 1.393 -4.120 1.00 0.00 ? 34 LEU B N 2 ATOM 2717 C CA . LEU B 1 34 ? -19.189 0.747 -3.417 1.00 0.00 ? 34 LEU B CA 2 ATOM 2718 C C . LEU B 1 34 ? -19.974 1.770 -2.603 1.00 0.00 ? 34 LEU B C 2 ATOM 2719 O O . LEU B 1 34 ? -21.205 1.749 -2.578 1.00 0.00 ? 34 LEU B O 2 ATOM 2720 C CB . LEU B 1 34 ? -18.657 -0.357 -2.500 1.00 0.00 ? 34 LEU B CB 2 ATOM 2721 C CG . LEU B 1 34 ? -19.110 -1.772 -2.859 1.00 0.00 ? 34 LEU B CG 2 ATOM 2722 C CD1 . LEU B 1 34 ? -18.393 -2.797 -1.993 1.00 0.00 ? 34 LEU B CD1 2 ATOM 2723 C CD2 . LEU B 1 34 ? -20.617 -1.904 -2.706 1.00 0.00 ? 34 LEU B CD2 2 ATOM 2724 H H . LEU B 1 34 ? -17.167 1.194 -3.850 1.00 0.00 ? 34 LEU B H 2 ATOM 2725 H HA . LEU B 1 34 ? -19.845 0.309 -4.155 1.00 0.00 ? 34 LEU B HA 2 ATOM 2726 H HB2 . LEU B 1 34 ? -17.577 -0.328 -2.528 1.00 0.00 ? 34 LEU B HB2 2 ATOM 2727 H HB3 . LEU B 1 34 ? -18.979 -0.145 -1.491 1.00 0.00 ? 34 LEU B HB3 2 ATOM 2728 H HG . LEU B 1 34 ? -18.858 -1.973 -3.890 1.00 0.00 ? 34 LEU B HG 2 ATOM 2729 H HD11 . LEU B 1 34 ? -17.342 -2.551 -1.940 1.00 0.00 ? 34 LEU B HD11 2 ATOM 2730 H HD12 . LEU B 1 34 ? -18.815 -2.787 -1.000 1.00 0.00 ? 34 LEU B HD12 2 ATOM 2731 H HD13 . LEU B 1 34 ? -18.511 -3.780 -2.425 1.00 0.00 ? 34 LEU B HD13 2 ATOM 2732 H HD21 . LEU B 1 34 ? -21.069 -0.923 -2.734 1.00 0.00 ? 34 LEU B HD21 2 ATOM 2733 H HD22 . LEU B 1 34 ? -21.010 -2.505 -3.513 1.00 0.00 ? 34 LEU B HD22 2 ATOM 2734 H HD23 . LEU B 1 34 ? -20.843 -2.378 -1.762 1.00 0.00 ? 34 LEU B HD23 2 ATOM 2735 N N . LYS B 1 35 ? -19.250 2.667 -1.942 1.00 0.00 ? 35 LYS B N 2 ATOM 2736 C CA . LYS B 1 35 ? -19.871 3.705 -1.127 1.00 0.00 ? 35 LYS B CA 2 ATOM 2737 C C . LYS B 1 35 ? -20.715 4.636 -1.992 1.00 0.00 ? 35 LYS B C 2 ATOM 2738 O O . LYS B 1 35 ? -21.785 5.084 -1.577 1.00 0.00 ? 35 LYS B O 2 ATOM 2739 C CB . LYS B 1 35 ? -18.792 4.505 -0.388 1.00 0.00 ? 35 LYS B CB 2 ATOM 2740 C CG . LYS B 1 35 ? -19.141 4.851 1.055 1.00 0.00 ? 35 LYS B CG 2 ATOM 2741 C CD . LYS B 1 35 ? -19.713 3.661 1.807 1.00 0.00 ? 35 LYS B CD 2 ATOM 2742 C CE . LYS B 1 35 ? -19.250 3.640 3.255 1.00 0.00 ? 35 LYS B CE 2 ATOM 2743 N NZ . LYS B 1 35 ? -19.235 5.003 3.853 1.00 0.00 ? 35 LYS B NZ 2 ATOM 2744 H H . LYS B 1 35 ? -18.273 2.631 -2.005 1.00 0.00 ? 35 LYS B H 2 ATOM 2745 H HA . LYS B 1 35 ? -20.513 3.221 -0.409 1.00 0.00 ? 35 LYS B HA 2 ATOM 2746 H HB2 . LYS B 1 35 ? -17.878 3.932 -0.383 1.00 0.00 ? 35 LYS B HB2 2 ATOM 2747 H HB3 . LYS B 1 35 ? -18.622 5.429 -0.922 1.00 0.00 ? 35 LYS B HB3 2 ATOM 2748 H HG2 . LYS B 1 35 ? -18.244 5.179 1.559 1.00 0.00 ? 35 LYS B HG2 2 ATOM 2749 H HG3 . LYS B 1 35 ? -19.866 5.650 1.057 1.00 0.00 ? 35 LYS B HG3 2 ATOM 2750 H HD2 . LYS B 1 35 ? -20.791 3.721 1.788 1.00 0.00 ? 35 LYS B HD2 2 ATOM 2751 H HD3 . LYS B 1 35 ? -19.392 2.751 1.322 1.00 0.00 ? 35 LYS B HD3 2 ATOM 2752 H HE2 . LYS B 1 35 ? -19.919 3.014 3.824 1.00 0.00 ? 35 LYS B HE2 2 ATOM 2753 H HE3 . LYS B 1 35 ? -18.252 3.228 3.293 1.00 0.00 ? 35 LYS B HE3 2 ATOM 2754 H HZ1 . LYS B 1 35 ? -20.100 5.518 3.592 1.00 0.00 ? 35 LYS B HZ1 2 ATOM 2755 H HZ2 . LYS B 1 35 ? -19.183 4.938 4.890 1.00 0.00 ? 35 LYS B HZ2 2 ATOM 2756 H HZ3 . LYS B 1 35 ? -18.411 5.536 3.510 1.00 0.00 ? 35 LYS B HZ3 2 ATOM 2757 N N . GLN B 1 36 ? -20.229 4.923 -3.195 1.00 0.00 ? 36 GLN B N 2 ATOM 2758 C CA . GLN B 1 36 ? -20.942 5.798 -4.119 1.00 0.00 ? 36 GLN B CA 2 ATOM 2759 C C . GLN B 1 36 ? -22.197 5.116 -4.653 1.00 0.00 ? 36 GLN B C 2 ATOM 2760 O O . GLN B 1 36 ? -23.205 5.768 -4.920 1.00 0.00 ? 36 GLN B O 2 ATOM 2761 C CB . GLN B 1 36 ? -20.031 6.199 -5.281 1.00 0.00 ? 36 GLN B CB 2 ATOM 2762 C CG . GLN B 1 36 ? -20.175 7.656 -5.690 1.00 0.00 ? 36 GLN B CG 2 ATOM 2763 C CD . GLN B 1 36 ? -19.951 7.868 -7.175 1.00 0.00 ? 36 GLN B CD 2 ATOM 2764 O OE1 . GLN B 1 36 ? -20.876 7.750 -7.978 1.00 0.00 ? 36 GLN B OE1 2 ATOM 2765 N NE2 . GLN B 1 36 ? -18.716 8.184 -7.548 1.00 0.00 ? 36 GLN B NE2 2 ATOM 2766 H H . GLN B 1 36 ? -19.372 4.534 -3.470 1.00 0.00 ? 36 GLN B H 2 ATOM 2767 H HA . GLN B 1 36 ? -21.232 6.686 -3.576 1.00 0.00 ? 36 GLN B HA 2 ATOM 2768 H HB2 . GLN B 1 36 ? -19.004 6.028 -4.994 1.00 0.00 ? 36 GLN B HB2 2 ATOM 2769 H HB3 . GLN B 1 36 ? -20.265 5.583 -6.136 1.00 0.00 ? 36 GLN B HB3 2 ATOM 2770 H HG2 . GLN B 1 36 ? -21.171 7.991 -5.441 1.00 0.00 ? 36 GLN B HG2 2 ATOM 2771 H HG3 . GLN B 1 36 ? -19.452 8.243 -5.144 1.00 0.00 ? 36 GLN B HG3 2 ATOM 2772 H HE21 . GLN B 1 36 ? -18.028 8.261 -6.854 1.00 0.00 ? 36 GLN B HE21 2 ATOM 2773 H HE22 . GLN B 1 36 ? -18.543 8.327 -8.502 1.00 0.00 ? 36 GLN B HE22 2 ATOM 2774 N N . SER B 1 37 ? -22.126 3.798 -4.805 1.00 0.00 ? 37 SER B N 2 ATOM 2775 C CA . SER B 1 37 ? -23.256 3.024 -5.308 1.00 0.00 ? 37 SER B CA 2 ATOM 2776 C C . SER B 1 37 ? -24.387 2.988 -4.284 1.00 0.00 ? 37 SER B C 2 ATOM 2777 O O . SER B 1 37 ? -25.557 2.850 -4.642 1.00 0.00 ? 37 SER B O 2 ATOM 2778 C CB . SER B 1 37 ? -22.815 1.599 -5.648 1.00 0.00 ? 37 SER B CB 2 ATOM 2779 O OG . SER B 1 37 ? -23.349 1.184 -6.893 1.00 0.00 ? 37 SER B OG 2 ATOM 2780 H H . SER B 1 37 ? -21.295 3.333 -4.574 1.00 0.00 ? 37 SER B H 2 ATOM 2781 H HA . SER B 1 37 ? -23.614 3.505 -6.205 1.00 0.00 ? 37 SER B HA 2 ATOM 2782 H HB2 . SER B 1 37 ? -21.738 1.561 -5.702 1.00 0.00 ? 37 SER B HB2 2 ATOM 2783 H HB3 . SER B 1 37 ? -23.162 0.924 -4.879 1.00 0.00 ? 37 SER B HB3 2 ATOM 2784 H HG . SER B 1 37 ? -24.217 0.796 -6.757 1.00 0.00 ? 37 SER B HG 2 ATOM 2785 N N . GLU B 1 38 ? -24.031 3.114 -3.011 1.00 0.00 ? 38 GLU B N 2 ATOM 2786 C CA . GLU B 1 38 ? -25.015 3.095 -1.936 1.00 0.00 ? 38 GLU B CA 2 ATOM 2787 C C . GLU B 1 38 ? -25.892 4.342 -1.981 1.00 0.00 ? 38 GLU B C 2 ATOM 2788 O O . GLU B 1 38 ? -27.061 4.306 -1.595 1.00 0.00 ? 38 GLU B O 2 ATOM 2789 C CB . GLU B 1 38 ? -24.317 2.997 -0.578 1.00 0.00 ? 38 GLU B CB 2 ATOM 2790 C CG . GLU B 1 38 ? -24.516 1.658 0.113 1.00 0.00 ? 38 GLU B CG 2 ATOM 2791 C CD . GLU B 1 38 ? -24.089 1.683 1.567 1.00 0.00 ? 38 GLU B CD 2 ATOM 2792 O OE1 . GLU B 1 38 ? -24.782 2.332 2.378 1.00 0.00 ? 38 GLU B OE1 2 ATOM 2793 O OE2 . GLU B 1 38 ? -23.062 1.052 1.895 1.00 0.00 ? 38 GLU B OE2 2 ATOM 2794 H H . GLU B 1 38 ? -23.082 3.221 -2.789 1.00 0.00 ? 38 GLU B H 2 ATOM 2795 H HA . GLU B 1 38 ? -25.640 2.225 -2.073 1.00 0.00 ? 38 GLU B HA 2 ATOM 2796 H HB2 . GLU B 1 38 ? -23.258 3.151 -0.719 1.00 0.00 ? 38 GLU B HB2 2 ATOM 2797 H HB3 . GLU B 1 38 ? -24.703 3.772 0.069 1.00 0.00 ? 38 GLU B HB3 2 ATOM 2798 H HG2 . GLU B 1 38 ? -25.562 1.394 0.065 1.00 0.00 ? 38 GLU B HG2 2 ATOM 2799 H HG3 . GLU B 1 38 ? -23.933 0.910 -0.406 1.00 0.00 ? 38 GLU B HG3 2 ATOM 2800 N N . ASP B 1 39 ? -25.320 5.445 -2.454 1.00 0.00 ? 39 ASP B N 2 ATOM 2801 C CA . ASP B 1 39 ? -26.051 6.703 -2.549 1.00 0.00 ? 39 ASP B CA 2 ATOM 2802 C C . ASP B 1 39 ? -27.122 6.630 -3.633 1.00 0.00 ? 39 ASP B C 2 ATOM 2803 O O . ASP B 1 39 ? -28.121 7.346 -3.580 1.00 0.00 ? 39 ASP B O 2 ATOM 2804 C CB . ASP B 1 39 ? -25.087 7.854 -2.846 1.00 0.00 ? 39 ASP B CB 2 ATOM 2805 C CG . ASP B 1 39 ? -24.722 8.638 -1.601 1.00 0.00 ? 39 ASP B CG 2 ATOM 2806 O OD1 . ASP B 1 39 ? -23.966 8.102 -0.763 1.00 0.00 ? 39 ASP B OD1 2 ATOM 2807 O OD2 . ASP B 1 39 ? -25.192 9.787 -1.463 1.00 0.00 ? 39 ASP B OD2 2 ATOM 2808 H H . ASP B 1 39 ? -24.385 5.411 -2.747 1.00 0.00 ? 39 ASP B H 2 ATOM 2809 H HA . ASP B 1 39 ? -26.528 6.883 -1.598 1.00 0.00 ? 39 ASP B HA 2 ATOM 2810 H HB2 . ASP B 1 39 ? -24.180 7.456 -3.276 1.00 0.00 ? 39 ASP B HB2 2 ATOM 2811 H HB3 . ASP B 1 39 ? -25.549 8.529 -3.552 1.00 0.00 ? 39 ASP B HB3 2 ATOM 2812 N N . ASP B 1 40 ? -26.905 5.761 -4.614 1.00 0.00 ? 40 ASP B N 2 ATOM 2813 C CA . ASP B 1 40 ? -27.853 5.593 -5.710 1.00 0.00 ? 40 ASP B CA 2 ATOM 2814 C C . ASP B 1 40 ? -28.982 4.647 -5.313 1.00 0.00 ? 40 ASP B C 2 ATOM 2815 O O . ASP B 1 40 ? -29.108 4.268 -4.150 1.00 0.00 ? 40 ASP B O 2 ATOM 2816 C CB . ASP B 1 40 ? -27.139 5.060 -6.953 1.00 0.00 ? 40 ASP B CB 2 ATOM 2817 C CG . ASP B 1 40 ? -25.955 5.920 -7.352 1.00 0.00 ? 40 ASP B CG 2 ATOM 2818 O OD1 . ASP B 1 40 ? -26.126 7.153 -7.456 1.00 0.00 ? 40 ASP B OD1 2 ATOM 2819 O OD2 . ASP B 1 40 ? -24.858 5.361 -7.562 1.00 0.00 ? 40 ASP B OD2 2 ATOM 2820 H H . ASP B 1 40 ? -26.089 5.218 -4.601 1.00 0.00 ? 40 ASP B H 2 ATOM 2821 H HA . ASP B 1 40 ? -28.273 6.562 -5.935 1.00 0.00 ? 40 ASP B HA 2 ATOM 2822 H HB2 . ASP B 1 40 ? -26.782 4.060 -6.755 1.00 0.00 ? 40 ASP B HB2 2 ATOM 2823 H HB3 . ASP B 1 40 ? -27.836 5.033 -7.777 1.00 0.00 ? 40 ASP B HB3 2 ATOM 2824 N N . ASP B 1 41 ? -29.801 4.271 -6.290 1.00 0.00 ? 41 ASP B N 2 ATOM 2825 C CA . ASP B 1 41 ? -30.921 3.369 -6.044 1.00 0.00 ? 41 ASP B CA 2 ATOM 2826 C C . ASP B 1 41 ? -30.466 1.914 -6.082 1.00 0.00 ? 41 ASP B C 2 ATOM 2827 O O . ASP B 1 41 ? -29.239 1.679 -6.087 1.00 0.00 ? 41 ASP B O 2 ATOM 2828 C CB . ASP B 1 41 ? -32.025 3.598 -7.078 1.00 0.00 ? 41 ASP B CB 2 ATOM 2829 C CG . ASP B 1 41 ? -32.905 4.782 -6.730 1.00 0.00 ? 41 ASP B CG 2 ATOM 2830 O OD1 . ASP B 1 41 ? -32.419 5.930 -6.820 1.00 0.00 ? 41 ASP B OD1 2 ATOM 2831 O OD2 . ASP B 1 41 ? -34.080 4.563 -6.368 1.00 0.00 ? 41 ASP B OD2 2 ATOM 2832 O OXT . ASP B 1 41 ? -31.340 1.022 -6.108 1.00 0.00 ? 41 ASP B OXT 2 ATOM 2833 H H . ASP B 1 41 ? -29.650 4.607 -7.198 1.00 0.00 ? 41 ASP B H 2 ATOM 2834 H HA . ASP B 1 41 ? -31.310 3.585 -5.060 1.00 0.00 ? 41 ASP B HA 2 ATOM 2835 H HB2 . ASP B 1 41 ? -31.574 3.779 -8.042 1.00 0.00 ? 41 ASP B HB2 2 ATOM 2836 H HB3 . ASP B 1 41 ? -32.645 2.716 -7.134 1.00 0.00 ? 41 ASP B HB3 2 ATOM 2837 N N . ALA A 1 1 ? -32.774 -11.898 -0.132 1.00 0.00 ? 1 ALA A N 3 ATOM 2838 C CA . ALA A 1 1 ? -31.578 -11.377 -0.846 1.00 0.00 ? 1 ALA A CA 3 ATOM 2839 C C . ALA A 1 1 ? -31.010 -10.151 -0.139 1.00 0.00 ? 1 ALA A C 3 ATOM 2840 O O . ALA A 1 1 ? -30.780 -9.115 -0.761 1.00 0.00 ? 1 ALA A O 3 ATOM 2841 C CB . ALA A 1 1 ? -31.931 -11.038 -2.286 1.00 0.00 ? 1 ALA A CB 3 ATOM 2842 H H1 . ALA A 1 1 ? -33.273 -11.086 0.284 1.00 0.00 ? 1 ALA A H1 3 ATOM 2843 H H2 . ALA A 1 1 ? -33.369 -12.389 -0.831 1.00 0.00 ? 1 ALA A H2 3 ATOM 2844 H H3 . ALA A 1 1 ? -32.443 -12.551 0.605 1.00 0.00 ? 1 ALA A H3 3 ATOM 2845 H HA . ALA A 1 1 ? -30.826 -12.152 -0.858 1.00 0.00 ? 1 ALA A HA 3 ATOM 2846 H HB1 . ALA A 1 1 ? -31.838 -11.923 -2.897 1.00 0.00 ? 1 ALA A HB1 3 ATOM 2847 H HB2 . ALA A 1 1 ? -32.946 -10.673 -2.332 1.00 0.00 ? 1 ALA A HB2 3 ATOM 2848 H HB3 . ALA A 1 1 ? -31.259 -10.276 -2.652 1.00 0.00 ? 1 ALA A HB3 3 ATOM 2849 N N . LEU A 1 2 ? -30.787 -10.277 1.165 1.00 0.00 ? 2 LEU A N 3 ATOM 2850 C CA . LEU A 1 2 ? -30.245 -9.180 1.958 1.00 0.00 ? 2 LEU A CA 3 ATOM 2851 C C . LEU A 1 2 ? -28.926 -8.686 1.372 1.00 0.00 ? 2 LEU A C 3 ATOM 2852 O O . LEU A 1 2 ? -28.114 -9.477 0.892 1.00 0.00 ? 2 LEU A O 3 ATOM 2853 C CB . LEU A 1 2 ? -30.040 -9.621 3.408 1.00 0.00 ? 2 LEU A CB 3 ATOM 2854 C CG . LEU A 1 2 ? -31.292 -10.157 4.104 1.00 0.00 ? 2 LEU A CG 3 ATOM 2855 C CD1 . LEU A 1 2 ? -30.935 -11.309 5.032 1.00 0.00 ? 2 LEU A CD1 3 ATOM 2856 C CD2 . LEU A 1 2 ? -31.989 -9.046 4.874 1.00 0.00 ? 2 LEU A CD2 3 ATOM 2857 H H . LEU A 1 2 ? -30.991 -11.129 1.606 1.00 0.00 ? 2 LEU A H 3 ATOM 2858 H HA . LEU A 1 2 ? -30.960 -8.371 1.935 1.00 0.00 ? 2 LEU A HA 3 ATOM 2859 H HB2 . LEU A 1 2 ? -29.286 -10.395 3.422 1.00 0.00 ? 2 LEU A HB2 3 ATOM 2860 H HB3 . LEU A 1 2 ? -29.676 -8.776 3.972 1.00 0.00 ? 2 LEU A HB3 3 ATOM 2861 H HG . LEU A 1 2 ? -31.979 -10.530 3.359 1.00 0.00 ? 2 LEU A HG 3 ATOM 2862 H HD11 . LEU A 1 2 ? -30.027 -11.072 5.567 1.00 0.00 ? 2 LEU A HD11 3 ATOM 2863 H HD12 . LEU A 1 2 ? -31.737 -11.465 5.737 1.00 0.00 ? 2 LEU A HD12 3 ATOM 2864 H HD13 . LEU A 1 2 ? -30.787 -12.206 4.451 1.00 0.00 ? 2 LEU A HD13 3 ATOM 2865 H HD21 . LEU A 1 2 ? -31.263 -8.302 5.168 1.00 0.00 ? 2 LEU A HD21 3 ATOM 2866 H HD22 . LEU A 1 2 ? -32.740 -8.589 4.247 1.00 0.00 ? 2 LEU A HD22 3 ATOM 2867 H HD23 . LEU A 1 2 ? -32.458 -9.458 5.756 1.00 0.00 ? 2 LEU A HD23 3 ATOM 2868 N N . LYS A 1 3 ? -28.718 -7.374 1.417 1.00 0.00 ? 3 LYS A N 3 ATOM 2869 C CA . LYS A 1 3 ? -27.497 -6.775 0.892 1.00 0.00 ? 3 LYS A CA 3 ATOM 2870 C C . LYS A 1 3 ? -26.475 -6.559 2.003 1.00 0.00 ? 3 LYS A C 3 ATOM 2871 O O . LYS A 1 3 ? -25.632 -5.666 1.920 1.00 0.00 ? 3 LYS A O 3 ATOM 2872 C CB . LYS A 1 3 ? -27.810 -5.444 0.206 1.00 0.00 ? 3 LYS A CB 3 ATOM 2873 C CG . LYS A 1 3 ? -27.389 -5.398 -1.253 1.00 0.00 ? 3 LYS A CG 3 ATOM 2874 C CD . LYS A 1 3 ? -28.366 -6.152 -2.140 1.00 0.00 ? 3 LYS A CD 3 ATOM 2875 C CE . LYS A 1 3 ? -27.978 -7.616 -2.275 1.00 0.00 ? 3 LYS A CE 3 ATOM 2876 N NZ . LYS A 1 3 ? -27.822 -8.020 -3.700 1.00 0.00 ? 3 LYS A NZ 3 ATOM 2877 H H . LYS A 1 3 ? -29.403 -6.795 1.813 1.00 0.00 ? 3 LYS A H 3 ATOM 2878 H HA . LYS A 1 3 ? -27.080 -7.455 0.165 1.00 0.00 ? 3 LYS A HA 3 ATOM 2879 H HB2 . LYS A 1 3 ? -28.876 -5.269 0.257 1.00 0.00 ? 3 LYS A HB2 3 ATOM 2880 H HB3 . LYS A 1 3 ? -27.299 -4.651 0.732 1.00 0.00 ? 3 LYS A HB3 3 ATOM 2881 H HG2 . LYS A 1 3 ? -27.350 -4.368 -1.574 1.00 0.00 ? 3 LYS A HG2 3 ATOM 2882 H HG3 . LYS A 1 3 ? -26.410 -5.845 -1.350 1.00 0.00 ? 3 LYS A HG3 3 ATOM 2883 H HD2 . LYS A 1 3 ? -29.353 -6.090 -1.707 1.00 0.00 ? 3 LYS A HD2 3 ATOM 2884 H HD3 . LYS A 1 3 ? -28.372 -5.698 -3.120 1.00 0.00 ? 3 LYS A HD3 3 ATOM 2885 H HE2 . LYS A 1 3 ? -27.044 -7.777 -1.759 1.00 0.00 ? 3 LYS A HE2 3 ATOM 2886 H HE3 . LYS A 1 3 ? -28.748 -8.222 -1.821 1.00 0.00 ? 3 LYS A HE3 3 ATOM 2887 H HZ1 . LYS A 1 3 ? -28.048 -7.221 -4.325 1.00 0.00 ? 3 LYS A HZ1 3 ATOM 2888 H HZ2 . LYS A 1 3 ? -26.841 -8.319 -3.880 1.00 0.00 ? 3 LYS A HZ2 3 ATOM 2889 H HZ3 . LYS A 1 3 ? -28.460 -8.811 -3.921 1.00 0.00 ? 3 LYS A HZ3 3 ATOM 2890 N N . LYS A 1 4 ? -26.556 -7.383 3.044 1.00 0.00 ? 4 LYS A N 3 ATOM 2891 C CA . LYS A 1 4 ? -25.638 -7.281 4.172 1.00 0.00 ? 4 LYS A CA 3 ATOM 2892 C C . LYS A 1 4 ? -24.215 -7.625 3.746 1.00 0.00 ? 4 LYS A C 3 ATOM 2893 O O . LYS A 1 4 ? -23.248 -7.089 4.288 1.00 0.00 ? 4 LYS A O 3 ATOM 2894 C CB . LYS A 1 4 ? -26.083 -8.210 5.303 1.00 0.00 ? 4 LYS A CB 3 ATOM 2895 C CG . LYS A 1 4 ? -25.968 -9.686 4.959 1.00 0.00 ? 4 LYS A CG 3 ATOM 2896 C CD . LYS A 1 4 ? -24.869 -10.361 5.764 1.00 0.00 ? 4 LYS A CD 3 ATOM 2897 C CE . LYS A 1 4 ? -23.669 -10.699 4.893 1.00 0.00 ? 4 LYS A CE 3 ATOM 2898 N NZ . LYS A 1 4 ? -22.888 -11.842 5.443 1.00 0.00 ? 4 LYS A NZ 3 ATOM 2899 H H . LYS A 1 4 ? -27.250 -8.075 3.052 1.00 0.00 ? 4 LYS A H 3 ATOM 2900 H HA . LYS A 1 4 ? -25.659 -6.261 4.526 1.00 0.00 ? 4 LYS A HA 3 ATOM 2901 H HB2 . LYS A 1 4 ? -25.473 -8.016 6.173 1.00 0.00 ? 4 LYS A HB2 3 ATOM 2902 H HB3 . LYS A 1 4 ? -27.114 -7.998 5.542 1.00 0.00 ? 4 LYS A HB3 3 ATOM 2903 H HG2 . LYS A 1 4 ? -26.907 -10.171 5.177 1.00 0.00 ? 4 LYS A HG2 3 ATOM 2904 H HG3 . LYS A 1 4 ? -25.744 -9.784 3.907 1.00 0.00 ? 4 LYS A HG3 3 ATOM 2905 H HD2 . LYS A 1 4 ? -24.551 -9.694 6.552 1.00 0.00 ? 4 LYS A HD2 3 ATOM 2906 H HD3 . LYS A 1 4 ? -25.258 -11.272 6.194 1.00 0.00 ? 4 LYS A HD3 3 ATOM 2907 H HE2 . LYS A 1 4 ? -24.019 -10.956 3.905 1.00 0.00 ? 4 LYS A HE2 3 ATOM 2908 H HE3 . LYS A 1 4 ? -23.029 -9.832 4.833 1.00 0.00 ? 4 LYS A HE3 3 ATOM 2909 H HZ1 . LYS A 1 4 ? -23.146 -12.005 6.437 1.00 0.00 ? 4 LYS A HZ1 3 ATOM 2910 H HZ2 . LYS A 1 4 ? -23.086 -12.705 4.898 1.00 0.00 ? 4 LYS A HZ2 3 ATOM 2911 H HZ3 . LYS A 1 4 ? -21.870 -11.638 5.390 1.00 0.00 ? 4 LYS A HZ3 3 ATOM 2912 N N . HIS A 1 5 ? -24.094 -8.522 2.773 1.00 0.00 ? 5 HIS A N 3 ATOM 2913 C CA . HIS A 1 5 ? -22.788 -8.937 2.275 1.00 0.00 ? 5 HIS A CA 3 ATOM 2914 C C . HIS A 1 5 ? -22.013 -7.745 1.722 1.00 0.00 ? 5 HIS A C 3 ATOM 2915 O O . HIS A 1 5 ? -20.786 -7.700 1.797 1.00 0.00 ? 5 HIS A O 3 ATOM 2916 C CB . HIS A 1 5 ? -22.947 -10.003 1.190 1.00 0.00 ? 5 HIS A CB 3 ATOM 2917 C CG . HIS A 1 5 ? -23.880 -9.603 0.090 1.00 0.00 ? 5 HIS A CG 3 ATOM 2918 N ND1 . HIS A 1 5 ? -25.040 -10.292 -0.202 1.00 0.00 ? 5 HIS A ND1 3 ATOM 2919 C CD2 . HIS A 1 5 ? -23.822 -8.577 -0.792 1.00 0.00 ? 5 HIS A CD2 3 ATOM 2920 C CE1 . HIS A 1 5 ? -25.653 -9.708 -1.216 1.00 0.00 ? 5 HIS A CE1 3 ATOM 2921 N NE2 . HIS A 1 5 ? -24.936 -8.666 -1.592 1.00 0.00 ? 5 HIS A NE2 3 ATOM 2922 H H . HIS A 1 5 ? -24.901 -8.914 2.380 1.00 0.00 ? 5 HIS A H 3 ATOM 2923 H HA . HIS A 1 5 ? -22.235 -9.357 3.102 1.00 0.00 ? 5 HIS A HA 3 ATOM 2924 H HB2 . HIS A 1 5 ? -21.983 -10.206 0.749 1.00 0.00 ? 5 HIS A HB2 3 ATOM 2925 H HB3 . HIS A 1 5 ? -23.329 -10.909 1.639 1.00 0.00 ? 5 HIS A HB3 3 ATOM 2926 H HD1 . HIS A 1 5 ? -25.364 -11.090 0.264 1.00 0.00 ? 5 HIS A HD1 3 ATOM 2927 H HD2 . HIS A 1 5 ? -23.045 -7.829 -0.856 1.00 0.00 ? 5 HIS A HD2 3 ATOM 2928 H HE1 . HIS A 1 5 ? -26.584 -10.027 -1.661 1.00 0.00 ? 5 HIS A HE1 3 ATOM 2929 H HE2 . HIS A 1 5 ? -25.163 -8.054 -2.323 1.00 0.00 ? 5 HIS A HE2 3 ATOM 2930 N N . HIS A 1 6 ? -22.740 -6.780 1.165 1.00 0.00 ? 6 HIS A N 3 ATOM 2931 C CA . HIS A 1 6 ? -22.121 -5.587 0.600 1.00 0.00 ? 6 HIS A CA 3 ATOM 2932 C C . HIS A 1 6 ? -21.437 -4.764 1.686 1.00 0.00 ? 6 HIS A C 3 ATOM 2933 O O . HIS A 1 6 ? -20.240 -4.489 1.606 1.00 0.00 ? 6 HIS A O 3 ATOM 2934 C CB . HIS A 1 6 ? -23.169 -4.736 -0.120 1.00 0.00 ? 6 HIS A CB 3 ATOM 2935 C CG . HIS A 1 6 ? -22.926 -4.607 -1.591 1.00 0.00 ? 6 HIS A CG 3 ATOM 2936 N ND1 . HIS A 1 6 ? -22.393 -5.622 -2.358 1.00 0.00 ? 6 HIS A ND1 3 ATOM 2937 C CD2 . HIS A 1 6 ? -23.146 -3.573 -2.439 1.00 0.00 ? 6 HIS A CD2 3 ATOM 2938 C CE1 . HIS A 1 6 ? -22.296 -5.218 -3.613 1.00 0.00 ? 6 HIS A CE1 3 ATOM 2939 N NE2 . HIS A 1 6 ? -22.746 -3.980 -3.688 1.00 0.00 ? 6 HIS A NE2 3 ATOM 2940 H H . HIS A 1 6 ? -23.715 -6.873 1.135 1.00 0.00 ? 6 HIS A H 3 ATOM 2941 H HA . HIS A 1 6 ? -21.377 -5.907 -0.114 1.00 0.00 ? 6 HIS A HA 3 ATOM 2942 H HB2 . HIS A 1 6 ? -24.142 -5.182 0.017 1.00 0.00 ? 6 HIS A HB2 3 ATOM 2943 H HB3 . HIS A 1 6 ? -23.170 -3.743 0.307 1.00 0.00 ? 6 HIS A HB3 3 ATOM 2944 H HD1 . HIS A 1 6 ? -22.126 -6.506 -2.032 1.00 0.00 ? 6 HIS A HD1 3 ATOM 2945 H HD2 . HIS A 1 6 ? -23.559 -2.608 -2.180 1.00 0.00 ? 6 HIS A HD2 3 ATOM 2946 H HE1 . HIS A 1 6 ? -21.914 -5.803 -4.438 1.00 0.00 ? 6 HIS A HE1 3 ATOM 2947 H HE2 . HIS A 1 6 ? -22.787 -3.440 -4.505 1.00 0.00 ? 6 HIS A HE2 3 ATOM 2948 N N . GLU A 1 7 ? -22.202 -4.376 2.700 1.00 0.00 ? 7 GLU A N 3 ATOM 2949 C CA . GLU A 1 7 ? -21.665 -3.586 3.803 1.00 0.00 ? 7 GLU A CA 3 ATOM 2950 C C . GLU A 1 7 ? -20.408 -4.235 4.370 1.00 0.00 ? 7 GLU A C 3 ATOM 2951 O O . GLU A 1 7 ? -19.555 -3.562 4.948 1.00 0.00 ? 7 GLU A O 3 ATOM 2952 C CB . GLU A 1 7 ? -22.714 -3.427 4.905 1.00 0.00 ? 7 GLU A CB 3 ATOM 2953 C CG . GLU A 1 7 ? -22.201 -2.689 6.130 1.00 0.00 ? 7 GLU A CG 3 ATOM 2954 C CD . GLU A 1 7 ? -21.838 -3.625 7.265 1.00 0.00 ? 7 GLU A CD 3 ATOM 2955 O OE1 . GLU A 1 7 ? -21.150 -4.635 7.004 1.00 0.00 ? 7 GLU A OE1 3 ATOM 2956 O OE2 . GLU A 1 7 ? -22.240 -3.350 8.415 1.00 0.00 ? 7 GLU A OE2 3 ATOM 2957 H H . GLU A 1 7 ? -23.149 -4.628 2.710 1.00 0.00 ? 7 GLU A H 3 ATOM 2958 H HA . GLU A 1 7 ? -21.408 -2.611 3.416 1.00 0.00 ? 7 GLU A HA 3 ATOM 2959 H HB2 . GLU A 1 7 ? -23.556 -2.879 4.507 1.00 0.00 ? 7 GLU A HB2 3 ATOM 2960 H HB3 . GLU A 1 7 ? -23.046 -4.407 5.214 1.00 0.00 ? 7 GLU A HB3 3 ATOM 2961 H HG2 . GLU A 1 7 ? -21.323 -2.125 5.854 1.00 0.00 ? 7 GLU A HG2 3 ATOM 2962 H HG3 . GLU A 1 7 ? -22.969 -2.011 6.474 1.00 0.00 ? 7 GLU A HG3 3 ATOM 2963 N N . ASN A 1 8 ? -20.295 -5.548 4.196 1.00 0.00 ? 8 ASN A N 3 ATOM 2964 C CA . ASN A 1 8 ? -19.137 -6.287 4.685 1.00 0.00 ? 8 ASN A CA 3 ATOM 2965 C C . ASN A 1 8 ? -17.905 -5.948 3.857 1.00 0.00 ? 8 ASN A C 3 ATOM 2966 O O . ASN A 1 8 ? -16.909 -5.451 4.385 1.00 0.00 ? 8 ASN A O 3 ATOM 2967 C CB . ASN A 1 8 ? -19.404 -7.793 4.639 1.00 0.00 ? 8 ASN A CB 3 ATOM 2968 C CG . ASN A 1 8 ? -19.699 -8.370 6.009 1.00 0.00 ? 8 ASN A CG 3 ATOM 2969 O OD1 . ASN A 1 8 ? -20.144 -7.660 6.911 1.00 0.00 ? 8 ASN A OD1 3 ATOM 2970 N ND2 . ASN A 1 8 ? -19.451 -9.664 6.172 1.00 0.00 ? 8 ASN A ND2 3 ATOM 2971 H H . ASN A 1 8 ? -21.004 -6.030 3.722 1.00 0.00 ? 8 ASN A H 3 ATOM 2972 H HA . ASN A 1 8 ? -18.961 -5.989 5.707 1.00 0.00 ? 8 ASN A HA 3 ATOM 2973 H HB2 . ASN A 1 8 ? -20.253 -7.982 3.999 1.00 0.00 ? 8 ASN A HB2 3 ATOM 2974 H HB3 . ASN A 1 8 ? -18.535 -8.293 4.235 1.00 0.00 ? 8 ASN A HB3 3 ATOM 2975 H HD21 . ASN A 1 8 ? -19.097 -10.167 5.409 1.00 0.00 ? 8 ASN A HD21 3 ATOM 2976 H HD22 . ASN A 1 8 ? -19.633 -10.063 7.048 1.00 0.00 ? 8 ASN A HD22 3 ATOM 2977 N N . GLU A 1 9 ? -17.983 -6.203 2.556 1.00 0.00 ? 9 GLU A N 3 ATOM 2978 C CA . GLU A 1 9 ? -16.875 -5.906 1.657 1.00 0.00 ? 9 GLU A CA 3 ATOM 2979 C C . GLU A 1 9 ? -16.502 -4.429 1.745 1.00 0.00 ? 9 GLU A C 3 ATOM 2980 O O . GLU A 1 9 ? -15.390 -4.038 1.389 1.00 0.00 ? 9 GLU A O 3 ATOM 2981 C CB . GLU A 1 9 ? -17.245 -6.266 0.218 1.00 0.00 ? 9 GLU A CB 3 ATOM 2982 C CG . GLU A 1 9 ? -16.812 -7.664 -0.193 1.00 0.00 ? 9 GLU A CG 3 ATOM 2983 C CD . GLU A 1 9 ? -15.354 -7.941 0.122 1.00 0.00 ? 9 GLU A CD 3 ATOM 2984 O OE1 . GLU A 1 9 ? -15.060 -8.335 1.269 1.00 0.00 ? 9 GLU A OE1 3 ATOM 2985 O OE2 . GLU A 1 9 ? -14.508 -7.763 -0.778 1.00 0.00 ? 9 GLU A OE2 3 ATOM 2986 H H . GLU A 1 9 ? -18.808 -6.588 2.190 1.00 0.00 ? 9 GLU A H 3 ATOM 2987 H HA . GLU A 1 9 ? -16.029 -6.501 1.965 1.00 0.00 ? 9 GLU A HA 3 ATOM 2988 H HB2 . GLU A 1 9 ? -18.317 -6.198 0.105 1.00 0.00 ? 9 GLU A HB2 3 ATOM 2989 H HB3 . GLU A 1 9 ? -16.777 -5.558 -0.449 1.00 0.00 ? 9 GLU A HB3 3 ATOM 2990 H HG2 . GLU A 1 9 ? -17.420 -8.385 0.333 1.00 0.00 ? 9 GLU A HG2 3 ATOM 2991 H HG3 . GLU A 1 9 ? -16.962 -7.775 -1.257 1.00 0.00 ? 9 GLU A HG3 3 ATOM 2992 N N . ILE A 1 10 ? -17.440 -3.612 2.219 1.00 0.00 ? 10 ILE A N 3 ATOM 2993 C CA . ILE A 1 10 ? -17.217 -2.181 2.355 1.00 0.00 ? 10 ILE A CA 3 ATOM 2994 C C . ILE A 1 10 ? -16.237 -1.893 3.500 1.00 0.00 ? 10 ILE A C 3 ATOM 2995 O O . ILE A 1 10 ? -15.249 -1.181 3.321 1.00 0.00 ? 10 ILE A O 3 ATOM 2996 C CB . ILE A 1 10 ? -18.583 -1.438 2.546 1.00 0.00 ? 10 ILE A CB 3 ATOM 2997 C CG1 . ILE A 1 10 ? -18.785 -0.412 1.431 1.00 0.00 ? 10 ILE A CG1 3 ATOM 2998 C CG2 . ILE A 1 10 ? -18.731 -0.766 3.914 1.00 0.00 ? 10 ILE A CG2 3 ATOM 2999 C CD1 . ILE A 1 10 ? -20.136 -0.522 0.758 1.00 0.00 ? 10 ILE A CD1 3 ATOM 3000 H H . ILE A 1 10 ? -18.307 -3.980 2.484 1.00 0.00 ? 10 ILE A H 3 ATOM 3001 H HA . ILE A 1 10 ? -16.774 -1.833 1.432 1.00 0.00 ? 10 ILE A HA 3 ATOM 3002 H HB . ILE A 1 10 ? -19.365 -2.178 2.468 1.00 0.00 ? 10 ILE A HB 3 ATOM 3003 H HG12 . ILE A 1 10 ? -18.700 0.581 1.844 1.00 0.00 ? 10 ILE A HG12 3 ATOM 3004 H HG13 . ILE A 1 10 ? -18.024 -0.552 0.678 1.00 0.00 ? 10 ILE A HG13 3 ATOM 3005 H HG21 . ILE A 1 10 ? -18.613 -1.506 4.693 1.00 0.00 ? 10 ILE A HG21 3 ATOM 3006 H HG22 . ILE A 1 10 ? -17.974 -0.003 4.025 1.00 0.00 ? 10 ILE A HG22 3 ATOM 3007 H HG23 . ILE A 1 10 ? -19.710 -0.317 3.991 1.00 0.00 ? 10 ILE A HG23 3 ATOM 3008 H HD11 . ILE A 1 10 ? -20.721 -1.287 1.248 1.00 0.00 ? 10 ILE A HD11 3 ATOM 3009 H HD12 . ILE A 1 10 ? -20.651 0.424 0.825 1.00 0.00 ? 10 ILE A HD12 3 ATOM 3010 H HD13 . ILE A 1 10 ? -19.999 -0.786 -0.281 1.00 0.00 ? 10 ILE A HD13 3 ATOM 3011 N N . SER A 1 11 ? -16.526 -2.452 4.671 1.00 0.00 ? 11 SER A N 3 ATOM 3012 C CA . SER A 1 11 ? -15.679 -2.255 5.841 1.00 0.00 ? 11 SER A CA 3 ATOM 3013 C C . SER A 1 11 ? -14.288 -2.838 5.614 1.00 0.00 ? 11 SER A C 3 ATOM 3014 O O . SER A 1 11 ? -13.309 -2.382 6.207 1.00 0.00 ? 11 SER A O 3 ATOM 3015 C CB . SER A 1 11 ? -16.319 -2.897 7.073 1.00 0.00 ? 11 SER A CB 3 ATOM 3016 O OG . SER A 1 11 ? -15.837 -2.305 8.267 1.00 0.00 ? 11 SER A OG 3 ATOM 3017 H H . SER A 1 11 ? -17.330 -3.009 4.750 1.00 0.00 ? 11 SER A H 3 ATOM 3018 H HA . SER A 1 11 ? -15.587 -1.192 6.009 1.00 0.00 ? 11 SER A HA 3 ATOM 3019 H HB2 . SER A 1 11 ? -17.390 -2.768 7.029 1.00 0.00 ? 11 SER A HB2 3 ATOM 3020 H HB3 . SER A 1 11 ? -16.084 -3.952 7.089 1.00 0.00 ? 11 SER A HB3 3 ATOM 3021 H HG . SER A 1 11 ? -15.942 -2.921 8.995 1.00 0.00 ? 11 SER A HG 3 ATOM 3022 N N . HIS A 1 12 ? -14.207 -3.849 4.754 1.00 0.00 ? 12 HIS A N 3 ATOM 3023 C CA . HIS A 1 12 ? -12.934 -4.489 4.456 1.00 0.00 ? 12 HIS A CA 3 ATOM 3024 C C . HIS A 1 12 ? -12.085 -3.595 3.546 1.00 0.00 ? 12 HIS A C 3 ATOM 3025 O O . HIS A 1 12 ? -10.885 -3.436 3.767 1.00 0.00 ? 12 HIS A O 3 ATOM 3026 C CB . HIS A 1 12 ? -13.189 -5.891 3.850 1.00 0.00 ? 12 HIS A CB 3 ATOM 3027 C CG . HIS A 1 12 ? -12.450 -6.204 2.578 1.00 0.00 ? 12 HIS A CG 3 ATOM 3028 N ND1 . HIS A 1 12 ? -11.099 -6.481 2.536 1.00 0.00 ? 12 HIS A ND1 3 ATOM 3029 C CD2 . HIS A 1 12 ? -12.889 -6.281 1.301 1.00 0.00 ? 12 HIS A CD2 3 ATOM 3030 C CE1 . HIS A 1 12 ? -10.740 -6.715 1.286 1.00 0.00 ? 12 HIS A CE1 3 ATOM 3031 N NE2 . HIS A 1 12 ? -11.807 -6.601 0.518 1.00 0.00 ? 12 HIS A NE2 3 ATOM 3032 H H . HIS A 1 12 ? -15.020 -4.169 4.312 1.00 0.00 ? 12 HIS A H 3 ATOM 3033 H HA . HIS A 1 12 ? -12.409 -4.609 5.393 1.00 0.00 ? 12 HIS A HA 3 ATOM 3034 H HB2 . HIS A 1 12 ? -12.904 -6.636 4.576 1.00 0.00 ? 12 HIS A HB2 3 ATOM 3035 H HB3 . HIS A 1 12 ? -14.245 -5.990 3.648 1.00 0.00 ? 12 HIS A HB3 3 ATOM 3036 H HD1 . HIS A 1 12 ? -10.495 -6.501 3.307 1.00 0.00 ? 12 HIS A HD1 3 ATOM 3037 H HD2 . HIS A 1 12 ? -13.903 -6.121 0.963 1.00 0.00 ? 12 HIS A HD2 3 ATOM 3038 H HE1 . HIS A 1 12 ? -9.743 -6.959 0.950 1.00 0.00 ? 12 HIS A HE1 3 ATOM 3039 H HE2 . HIS A 1 12 ? -11.822 -6.725 -0.454 1.00 0.00 ? 12 HIS A HE2 3 ATOM 3040 N N . HIS A 1 13 ? -12.713 -3.005 2.533 1.00 0.00 ? 13 HIS A N 3 ATOM 3041 C CA . HIS A 1 13 ? -12.000 -2.125 1.615 1.00 0.00 ? 13 HIS A CA 3 ATOM 3042 C C . HIS A 1 13 ? -11.510 -0.883 2.349 1.00 0.00 ? 13 HIS A C 3 ATOM 3043 O O . HIS A 1 13 ? -10.531 -0.259 1.943 1.00 0.00 ? 13 HIS A O 3 ATOM 3044 C CB . HIS A 1 13 ? -12.892 -1.706 0.447 1.00 0.00 ? 13 HIS A CB 3 ATOM 3045 C CG . HIS A 1 13 ? -13.521 -2.847 -0.285 1.00 0.00 ? 13 HIS A CG 3 ATOM 3046 N ND1 . HIS A 1 13 ? -12.932 -4.087 -0.410 1.00 0.00 ? 13 HIS A ND1 3 ATOM 3047 C CD2 . HIS A 1 13 ? -14.699 -2.923 -0.944 1.00 0.00 ? 13 HIS A CD2 3 ATOM 3048 C CE1 . HIS A 1 13 ? -13.722 -4.877 -1.119 1.00 0.00 ? 13 HIS A CE1 3 ATOM 3049 N NE2 . HIS A 1 13 ? -14.800 -4.193 -1.454 1.00 0.00 ? 13 HIS A NE2 3 ATOM 3050 H H . HIS A 1 13 ? -13.673 -3.158 2.406 1.00 0.00 ? 13 HIS A H 3 ATOM 3051 H HA . HIS A 1 13 ? -11.146 -2.664 1.233 1.00 0.00 ? 13 HIS A HA 3 ATOM 3052 H HB2 . HIS A 1 13 ? -13.686 -1.076 0.816 1.00 0.00 ? 13 HIS A HB2 3 ATOM 3053 H HB3 . HIS A 1 13 ? -12.299 -1.147 -0.262 1.00 0.00 ? 13 HIS A HB3 3 ATOM 3054 H HD1 . HIS A 1 13 ? -12.065 -4.350 -0.037 1.00 0.00 ? 13 HIS A HD1 3 ATOM 3055 H HD2 . HIS A 1 13 ? -15.422 -2.126 -1.050 1.00 0.00 ? 13 HIS A HD2 3 ATOM 3056 H HE1 . HIS A 1 13 ? -13.519 -5.905 -1.380 1.00 0.00 ? 13 HIS A HE1 3 ATOM 3057 H HE2 . HIS A 1 13 ? -15.550 -4.539 -1.980 1.00 0.00 ? 13 HIS A HE2 3 ATOM 3058 N N . ALA A 1 14 ? -12.198 -0.529 3.432 1.00 0.00 ? 14 ALA A N 3 ATOM 3059 C CA . ALA A 1 14 ? -11.829 0.638 4.222 1.00 0.00 ? 14 ALA A CA 3 ATOM 3060 C C . ALA A 1 14 ? -10.538 0.376 4.981 1.00 0.00 ? 14 ALA A C 3 ATOM 3061 O O . ALA A 1 14 ? -9.574 1.132 4.868 1.00 0.00 ? 14 ALA A O 3 ATOM 3062 C CB . ALA A 1 14 ? -12.949 1.002 5.185 1.00 0.00 ? 14 ALA A CB 3 ATOM 3063 H H . ALA A 1 14 ? -12.970 -1.066 3.705 1.00 0.00 ? 14 ALA A H 3 ATOM 3064 H HA . ALA A 1 14 ? -11.678 1.467 3.546 1.00 0.00 ? 14 ALA A HA 3 ATOM 3065 H HB1 . ALA A 1 14 ? -13.877 0.569 4.839 1.00 0.00 ? 14 ALA A HB1 3 ATOM 3066 H HB2 . ALA A 1 14 ? -13.049 2.077 5.230 1.00 0.00 ? 14 ALA A HB2 3 ATOM 3067 H HB3 . ALA A 1 14 ? -12.718 0.621 6.168 1.00 0.00 ? 14 ALA A HB3 3 ATOM 3068 N N . LYS A 1 15 ? -10.520 -0.711 5.743 1.00 0.00 ? 15 LYS A N 3 ATOM 3069 C CA . LYS A 1 15 ? -9.339 -1.083 6.505 1.00 0.00 ? 15 LYS A CA 3 ATOM 3070 C C . LYS A 1 15 ? -8.213 -1.528 5.572 1.00 0.00 ? 15 LYS A C 3 ATOM 3071 O O . LYS A 1 15 ? -7.055 -1.610 5.979 1.00 0.00 ? 15 LYS A O 3 ATOM 3072 C CB . LYS A 1 15 ? -9.672 -2.203 7.493 1.00 0.00 ? 15 LYS A CB 3 ATOM 3073 C CG . LYS A 1 15 ? -9.607 -1.770 8.948 1.00 0.00 ? 15 LYS A CG 3 ATOM 3074 C CD . LYS A 1 15 ? -10.520 -0.585 9.218 1.00 0.00 ? 15 LYS A CD 3 ATOM 3075 C CE . LYS A 1 15 ? -10.237 0.040 10.575 1.00 0.00 ? 15 LYS A CE 3 ATOM 3076 N NZ . LYS A 1 15 ? -11.474 0.175 11.393 1.00 0.00 ? 15 LYS A NZ 3 ATOM 3077 H H . LYS A 1 15 ? -11.318 -1.284 5.782 1.00 0.00 ? 15 LYS A H 3 ATOM 3078 H HA . LYS A 1 15 ? -9.011 -0.214 7.055 1.00 0.00 ? 15 LYS A HA 3 ATOM 3079 H HB2 . LYS A 1 15 ? -10.672 -2.560 7.290 1.00 0.00 ? 15 LYS A HB2 3 ATOM 3080 H HB3 . LYS A 1 15 ? -8.974 -3.014 7.349 1.00 0.00 ? 15 LYS A HB3 3 ATOM 3081 H HG2 . LYS A 1 15 ? -9.912 -2.595 9.573 1.00 0.00 ? 15 LYS A HG2 3 ATOM 3082 H HG3 . LYS A 1 15 ? -8.590 -1.492 9.185 1.00 0.00 ? 15 LYS A HG3 3 ATOM 3083 H HD2 . LYS A 1 15 ? -10.364 0.159 8.451 1.00 0.00 ? 15 LYS A HD2 3 ATOM 3084 H HD3 . LYS A 1 15 ? -11.546 -0.921 9.193 1.00 0.00 ? 15 LYS A HD3 3 ATOM 3085 H HE2 . LYS A 1 15 ? -9.533 -0.586 11.104 1.00 0.00 ? 15 LYS A HE2 3 ATOM 3086 H HE3 . LYS A 1 15 ? -9.806 1.018 10.424 1.00 0.00 ? 15 LYS A HE3 3 ATOM 3087 H HZ1 . LYS A 1 15 ? -11.912 -0.757 11.536 1.00 0.00 ? 15 LYS A HZ1 3 ATOM 3088 H HZ2 . LYS A 1 15 ? -11.245 0.585 12.321 1.00 0.00 ? 15 LYS A HZ2 3 ATOM 3089 H HZ3 . LYS A 1 15 ? -12.154 0.796 10.911 1.00 0.00 ? 15 LYS A HZ3 3 ATOM 3090 N N . GLU A 1 16 ? -8.560 -1.814 4.315 1.00 0.00 ? 16 GLU A N 3 ATOM 3091 C CA . GLU A 1 16 ? -7.576 -2.248 3.334 1.00 0.00 ? 16 GLU A CA 3 ATOM 3092 C C . GLU A 1 16 ? -6.878 -1.052 2.695 1.00 0.00 ? 16 GLU A C 3 ATOM 3093 O O . GLU A 1 16 ? -5.694 -1.118 2.376 1.00 0.00 ? 16 GLU A O 3 ATOM 3094 C CB . GLU A 1 16 ? -8.242 -3.104 2.255 1.00 0.00 ? 16 GLU A CB 3 ATOM 3095 C CG . GLU A 1 16 ? -8.141 -4.598 2.516 1.00 0.00 ? 16 GLU A CG 3 ATOM 3096 C CD . GLU A 1 16 ? -6.719 -5.048 2.786 1.00 0.00 ? 16 GLU A CD 3 ATOM 3097 O OE1 . GLU A 1 16 ? -5.782 -4.365 2.324 1.00 0.00 ? 16 GLU A OE1 3 ATOM 3098 O OE2 . GLU A 1 16 ? -6.542 -6.085 3.461 1.00 0.00 ? 16 GLU A OE2 3 ATOM 3099 H H . GLU A 1 16 ? -9.496 -1.734 4.044 1.00 0.00 ? 16 GLU A H 3 ATOM 3100 H HA . GLU A 1 16 ? -6.837 -2.843 3.849 1.00 0.00 ? 16 GLU A HA 3 ATOM 3101 H HB2 . GLU A 1 16 ? -9.286 -2.840 2.197 1.00 0.00 ? 16 GLU A HB2 3 ATOM 3102 H HB3 . GLU A 1 16 ? -7.772 -2.894 1.306 1.00 0.00 ? 16 GLU A HB3 3 ATOM 3103 H HG2 . GLU A 1 16 ? -8.748 -4.842 3.375 1.00 0.00 ? 16 GLU A HG2 3 ATOM 3104 H HG3 . GLU A 1 16 ? -8.513 -5.128 1.651 1.00 0.00 ? 16 GLU A HG3 3 ATOM 3105 N N . ILE A 1 17 ? -7.614 0.042 2.513 1.00 0.00 ? 17 ILE A N 3 ATOM 3106 C CA . ILE A 1 17 ? -7.043 1.244 1.917 1.00 0.00 ? 17 ILE A CA 3 ATOM 3107 C C . ILE A 1 17 ? -6.190 1.990 2.936 1.00 0.00 ? 17 ILE A C 3 ATOM 3108 O O . ILE A 1 17 ? -5.157 2.566 2.595 1.00 0.00 ? 17 ILE A O 3 ATOM 3109 C CB . ILE A 1 17 ? -8.140 2.183 1.369 1.00 0.00 ? 17 ILE A CB 3 ATOM 3110 C CG1 . ILE A 1 17 ? -7.519 3.462 0.789 1.00 0.00 ? 17 ILE A CG1 3 ATOM 3111 C CG2 . ILE A 1 17 ? -9.158 2.509 2.454 1.00 0.00 ? 17 ILE A CG2 3 ATOM 3112 C CD1 . ILE A 1 17 ? -7.152 4.504 1.827 1.00 0.00 ? 17 ILE A CD1 3 ATOM 3113 H H . ILE A 1 17 ? -8.558 0.043 2.789 1.00 0.00 ? 17 ILE A H 3 ATOM 3114 H HA . ILE A 1 17 ? -6.410 0.943 1.094 1.00 0.00 ? 17 ILE A HA 3 ATOM 3115 H HB . ILE A 1 17 ? -8.657 1.659 0.579 1.00 0.00 ? 17 ILE A HB 3 ATOM 3116 H HG12 . ILE A 1 17 ? -6.618 3.203 0.253 1.00 0.00 ? 17 ILE A HG12 3 ATOM 3117 H HG13 . ILE A 1 17 ? -8.220 3.912 0.102 1.00 0.00 ? 17 ILE A HG13 3 ATOM 3118 H HG21 . ILE A 1 17 ? -8.647 2.888 3.326 1.00 0.00 ? 17 ILE A HG21 3 ATOM 3119 H HG22 . ILE A 1 17 ? -9.847 3.256 2.086 1.00 0.00 ? 17 ILE A HG22 3 ATOM 3120 H HG23 . ILE A 1 17 ? -9.704 1.615 2.715 1.00 0.00 ? 17 ILE A HG23 3 ATOM 3121 H HD11 . ILE A 1 17 ? -7.367 4.121 2.814 1.00 0.00 ? 17 ILE A HD11 3 ATOM 3122 H HD12 . ILE A 1 17 ? -6.099 4.732 1.752 1.00 0.00 ? 17 ILE A HD12 3 ATOM 3123 H HD13 . ILE A 1 17 ? -7.728 5.401 1.656 1.00 0.00 ? 17 ILE A HD13 3 ATOM 3124 N N . GLU A 1 18 ? -6.621 1.963 4.192 1.00 0.00 ? 18 GLU A N 3 ATOM 3125 C CA . GLU A 1 18 ? -5.889 2.624 5.263 1.00 0.00 ? 18 GLU A CA 3 ATOM 3126 C C . GLU A 1 18 ? -4.700 1.774 5.696 1.00 0.00 ? 18 GLU A C 3 ATOM 3127 O O . GLU A 1 18 ? -3.619 2.294 5.975 1.00 0.00 ? 18 GLU A O 3 ATOM 3128 C CB . GLU A 1 18 ? -6.808 2.889 6.456 1.00 0.00 ? 18 GLU A CB 3 ATOM 3129 C CG . GLU A 1 18 ? -6.933 4.360 6.816 1.00 0.00 ? 18 GLU A CG 3 ATOM 3130 C CD . GLU A 1 18 ? -7.758 5.138 5.808 1.00 0.00 ? 18 GLU A CD 3 ATOM 3131 O OE1 . GLU A 1 18 ? -8.632 4.526 5.159 1.00 0.00 ? 18 GLU A OE1 3 ATOM 3132 O OE2 . GLU A 1 18 ? -7.528 6.357 5.669 1.00 0.00 ? 18 GLU A OE2 3 ATOM 3133 H H . GLU A 1 18 ? -7.447 1.478 4.406 1.00 0.00 ? 18 GLU A H 3 ATOM 3134 H HA . GLU A 1 18 ? -5.524 3.566 4.882 1.00 0.00 ? 18 GLU A HA 3 ATOM 3135 H HB2 . GLU A 1 18 ? -7.794 2.512 6.227 1.00 0.00 ? 18 GLU A HB2 3 ATOM 3136 H HB3 . GLU A 1 18 ? -6.423 2.362 7.317 1.00 0.00 ? 18 GLU A HB3 3 ATOM 3137 H HG2 . GLU A 1 18 ? -7.404 4.443 7.784 1.00 0.00 ? 18 GLU A HG2 3 ATOM 3138 H HG3 . GLU A 1 18 ? -5.944 4.792 6.859 1.00 0.00 ? 18 GLU A HG3 3 ATOM 3139 N N . ARG A 1 19 ? -4.906 0.461 5.739 1.00 0.00 ? 19 ARG A N 3 ATOM 3140 C CA . ARG A 1 19 ? -3.849 -0.461 6.128 1.00 0.00 ? 19 ARG A CA 3 ATOM 3141 C C . ARG A 1 19 ? -2.826 -0.599 5.009 1.00 0.00 ? 19 ARG A C 3 ATOM 3142 O O . ARG A 1 19 ? -1.654 -0.884 5.255 1.00 0.00 ? 19 ARG A O 3 ATOM 3143 C CB . ARG A 1 19 ? -4.435 -1.831 6.475 1.00 0.00 ? 19 ARG A CB 3 ATOM 3144 C CG . ARG A 1 19 ? -3.419 -2.796 7.063 1.00 0.00 ? 19 ARG A CG 3 ATOM 3145 C CD . ARG A 1 19 ? -3.397 -4.113 6.305 1.00 0.00 ? 19 ARG A CD 3 ATOM 3146 N NE . ARG A 1 19 ? -2.622 -5.134 7.004 1.00 0.00 ? 19 ARG A NE 3 ATOM 3147 C CZ . ARG A 1 19 ? -2.123 -6.214 6.412 1.00 0.00 ? 19 ARG A CZ 3 ATOM 3148 N NH1 . ARG A 1 19 ? -2.317 -6.411 5.115 1.00 0.00 ? 19 ARG A NH1 3 ATOM 3149 N NH2 . ARG A 1 19 ? -1.429 -7.098 7.116 1.00 0.00 ? 19 ARG A NH2 3 ATOM 3150 H H . ARG A 1 19 ? -5.788 0.105 5.497 1.00 0.00 ? 19 ARG A H 3 ATOM 3151 H HA . ARG A 1 19 ? -3.358 -0.055 7.000 1.00 0.00 ? 19 ARG A HA 3 ATOM 3152 H HB2 . ARG A 1 19 ? -5.231 -1.698 7.192 1.00 0.00 ? 19 ARG A HB2 3 ATOM 3153 H HB3 . ARG A 1 19 ? -4.841 -2.274 5.577 1.00 0.00 ? 19 ARG A HB3 3 ATOM 3154 H HG2 . ARG A 1 19 ? -2.439 -2.347 7.013 1.00 0.00 ? 19 ARG A HG2 3 ATOM 3155 H HG3 . ARG A 1 19 ? -3.676 -2.990 8.095 1.00 0.00 ? 19 ARG A HG3 3 ATOM 3156 H HD2 . ARG A 1 19 ? -4.411 -4.463 6.186 1.00 0.00 ? 19 ARG A HD2 3 ATOM 3157 H HD3 . ARG A 1 19 ? -2.959 -3.946 5.332 1.00 0.00 ? 19 ARG A HD3 3 ATOM 3158 H HE . ARG A 1 19 ? -2.467 -5.009 7.963 1.00 0.00 ? 19 ARG A HE 3 ATOM 3159 H HH11 . ARG A 1 19 ? -2.839 -5.746 4.581 1.00 0.00 ? 19 ARG A HH11 3 ATOM 3160 H HH12 . ARG A 1 19 ? -1.940 -7.224 4.671 1.00 0.00 ? 19 ARG A HH12 3 ATOM 3161 H HH21 . ARG A 1 19 ? -1.281 -6.954 8.094 1.00 0.00 ? 19 ARG A HH21 3 ATOM 3162 H HH22 . ARG A 1 19 ? -1.055 -7.911 6.668 1.00 0.00 ? 19 ARG A HH22 3 ATOM 3163 N N . LEU A 1 20 ? -3.275 -0.381 3.776 1.00 0.00 ? 20 LEU A N 3 ATOM 3164 C CA . LEU A 1 20 ? -2.393 -0.469 2.624 1.00 0.00 ? 20 LEU A CA 3 ATOM 3165 C C . LEU A 1 20 ? -1.462 0.734 2.585 1.00 0.00 ? 20 LEU A C 3 ATOM 3166 O O . LEU A 1 20 ? -0.271 0.601 2.312 1.00 0.00 ? 20 LEU A O 3 ATOM 3167 C CB . LEU A 1 20 ? -3.206 -0.545 1.330 1.00 0.00 ? 20 LEU A CB 3 ATOM 3168 C CG . LEU A 1 20 ? -3.622 -1.956 0.909 1.00 0.00 ? 20 LEU A CG 3 ATOM 3169 C CD1 . LEU A 1 20 ? -4.798 -1.901 -0.053 1.00 0.00 ? 20 LEU A CD1 3 ATOM 3170 C CD2 . LEU A 1 20 ? -2.449 -2.690 0.277 1.00 0.00 ? 20 LEU A CD2 3 ATOM 3171 H H . LEU A 1 20 ? -4.217 -0.146 3.642 1.00 0.00 ? 20 LEU A H 3 ATOM 3172 H HA . LEU A 1 20 ? -1.801 -1.367 2.724 1.00 0.00 ? 20 LEU A HA 3 ATOM 3173 H HB2 . LEU A 1 20 ? -4.099 0.051 1.455 1.00 0.00 ? 20 LEU A HB2 3 ATOM 3174 H HB3 . LEU A 1 20 ? -2.617 -0.116 0.535 1.00 0.00 ? 20 LEU A HB3 3 ATOM 3175 H HG . LEU A 1 20 ? -3.932 -2.509 1.784 1.00 0.00 ? 20 LEU A HG 3 ATOM 3176 H HD11 . LEU A 1 20 ? -5.192 -0.895 -0.084 1.00 0.00 ? 20 LEU A HD11 3 ATOM 3177 H HD12 . LEU A 1 20 ? -4.470 -2.189 -1.041 1.00 0.00 ? 20 LEU A HD12 3 ATOM 3178 H HD13 . LEU A 1 20 ? -5.570 -2.579 0.282 1.00 0.00 ? 20 LEU A HD13 3 ATOM 3179 H HD21 . LEU A 1 20 ? -1.551 -2.487 0.843 1.00 0.00 ? 20 LEU A HD21 3 ATOM 3180 H HD22 . LEU A 1 20 ? -2.644 -3.752 0.282 1.00 0.00 ? 20 LEU A HD22 3 ATOM 3181 H HD23 . LEU A 1 20 ? -2.318 -2.352 -0.739 1.00 0.00 ? 20 LEU A HD23 3 ATOM 3182 N N . GLN A 1 21 ? -2.016 1.910 2.869 1.00 0.00 ? 21 GLN A N 3 ATOM 3183 C CA . GLN A 1 21 ? -1.235 3.140 2.875 1.00 0.00 ? 21 GLN A CA 3 ATOM 3184 C C . GLN A 1 21 ? -0.128 3.069 3.921 1.00 0.00 ? 21 GLN A C 3 ATOM 3185 O O . GLN A 1 21 ? 1.016 3.439 3.655 1.00 0.00 ? 21 GLN A O 3 ATOM 3186 C CB . GLN A 1 21 ? -2.138 4.343 3.150 1.00 0.00 ? 21 GLN A CB 3 ATOM 3187 C CG . GLN A 1 21 ? -1.413 5.677 3.083 1.00 0.00 ? 21 GLN A CG 3 ATOM 3188 C CD . GLN A 1 21 ? -2.163 6.707 2.261 1.00 0.00 ? 21 GLN A CD 3 ATOM 3189 O OE1 . GLN A 1 21 ? -1.775 7.021 1.136 1.00 0.00 ? 21 GLN A OE1 3 ATOM 3190 N NE2 . GLN A 1 21 ? -3.241 7.241 2.823 1.00 0.00 ? 21 GLN A NE2 3 ATOM 3191 H H . GLN A 1 21 ? -2.973 1.950 3.084 1.00 0.00 ? 21 GLN A H 3 ATOM 3192 H HA . GLN A 1 21 ? -0.786 3.252 1.898 1.00 0.00 ? 21 GLN A HA 3 ATOM 3193 H HB2 . GLN A 1 21 ? -2.936 4.354 2.421 1.00 0.00 ? 21 GLN A HB2 3 ATOM 3194 H HB3 . GLN A 1 21 ? -2.566 4.240 4.136 1.00 0.00 ? 21 GLN A HB3 3 ATOM 3195 H HG2 . GLN A 1 21 ? -1.292 6.058 4.086 1.00 0.00 ? 21 GLN A HG2 3 ATOM 3196 H HG3 . GLN A 1 21 ? -0.440 5.521 2.639 1.00 0.00 ? 21 GLN A HG3 3 ATOM 3197 H HE21 . GLN A 1 21 ? -3.489 6.944 3.722 1.00 0.00 ? 21 GLN A HE21 3 ATOM 3198 H HE22 . GLN A 1 21 ? -3.745 7.910 2.313 1.00 0.00 ? 21 GLN A HE22 3 ATOM 3199 N N . LYS A 1 22 ? -0.474 2.587 5.111 1.00 0.00 ? 22 LYS A N 3 ATOM 3200 C CA . LYS A 1 22 ? 0.496 2.467 6.193 1.00 0.00 ? 22 LYS A CA 3 ATOM 3201 C C . LYS A 1 22 ? 1.592 1.471 5.827 1.00 0.00 ? 22 LYS A C 3 ATOM 3202 O O . LYS A 1 22 ? 2.756 1.651 6.187 1.00 0.00 ? 22 LYS A O 3 ATOM 3203 C CB . LYS A 1 22 ? -0.200 2.028 7.483 1.00 0.00 ? 22 LYS A CB 3 ATOM 3204 C CG . LYS A 1 22 ? 0.481 2.535 8.744 1.00 0.00 ? 22 LYS A CG 3 ATOM 3205 C CD . LYS A 1 22 ? 0.671 4.043 8.705 1.00 0.00 ? 22 LYS A CD 3 ATOM 3206 C CE . LYS A 1 22 ? 2.127 4.415 8.481 1.00 0.00 ? 22 LYS A CE 3 ATOM 3207 N NZ . LYS A 1 22 ? 2.742 5.012 9.699 1.00 0.00 ? 22 LYS A NZ 3 ATOM 3208 H H . LYS A 1 22 ? -1.403 2.305 5.265 1.00 0.00 ? 22 LYS A H 3 ATOM 3209 H HA . LYS A 1 22 ? 0.943 3.437 6.347 1.00 0.00 ? 22 LYS A HA 3 ATOM 3210 H HB2 . LYS A 1 22 ? -1.215 2.395 7.474 1.00 0.00 ? 22 LYS A HB2 3 ATOM 3211 H HB3 . LYS A 1 22 ? -0.217 0.948 7.519 1.00 0.00 ? 22 LYS A HB3 3 ATOM 3212 H HG2 . LYS A 1 22 ? -0.130 2.282 9.597 1.00 0.00 ? 22 LYS A HG2 3 ATOM 3213 H HG3 . LYS A 1 22 ? 1.446 2.061 8.836 1.00 0.00 ? 22 LYS A HG3 3 ATOM 3214 H HD2 . LYS A 1 22 ? 0.077 4.450 7.900 1.00 0.00 ? 22 LYS A HD2 3 ATOM 3215 H HD3 . LYS A 1 22 ? 0.342 4.462 9.645 1.00 0.00 ? 22 LYS A HD3 3 ATOM 3216 H HE2 . LYS A 1 22 ? 2.676 3.524 8.211 1.00 0.00 ? 22 LYS A HE2 3 ATOM 3217 H HE3 . LYS A 1 22 ? 2.183 5.130 7.673 1.00 0.00 ? 22 LYS A HE3 3 ATOM 3218 H HZ1 . LYS A 1 22 ? 2.002 5.397 10.321 1.00 0.00 ? 22 LYS A HZ1 3 ATOM 3219 H HZ2 . LYS A 1 22 ? 3.277 4.288 10.221 1.00 0.00 ? 22 LYS A HZ2 3 ATOM 3220 H HZ3 . LYS A 1 22 ? 3.390 5.780 9.433 1.00 0.00 ? 22 LYS A HZ3 3 ATOM 3221 N N . GLU A 1 23 ? 1.211 0.419 5.110 1.00 0.00 ? 23 GLU A N 3 ATOM 3222 C CA . GLU A 1 23 ? 2.159 -0.608 4.694 1.00 0.00 ? 23 GLU A CA 3 ATOM 3223 C C . GLU A 1 23 ? 3.173 -0.051 3.699 1.00 0.00 ? 23 GLU A C 3 ATOM 3224 O O . GLU A 1 23 ? 4.347 -0.427 3.719 1.00 0.00 ? 23 GLU A O 3 ATOM 3225 C CB . GLU A 1 23 ? 1.417 -1.792 4.072 1.00 0.00 ? 23 GLU A CB 3 ATOM 3226 C CG . GLU A 1 23 ? 1.097 -2.899 5.064 1.00 0.00 ? 23 GLU A CG 3 ATOM 3227 C CD . GLU A 1 23 ? -0.187 -3.630 4.726 1.00 0.00 ? 23 GLU A CD 3 ATOM 3228 O OE1 . GLU A 1 23 ? -1.103 -2.993 4.164 1.00 0.00 ? 23 GLU A OE1 3 ATOM 3229 O OE2 . GLU A 1 23 ? -0.279 -4.840 5.026 1.00 0.00 ? 23 GLU A OE2 3 ATOM 3230 H H . GLU A 1 23 ? 0.268 0.331 4.854 1.00 0.00 ? 23 GLU A H 3 ATOM 3231 H HA . GLU A 1 23 ? 2.685 -0.948 5.573 1.00 0.00 ? 23 GLU A HA 3 ATOM 3232 H HB2 . GLU A 1 23 ? 0.489 -1.439 3.648 1.00 0.00 ? 23 GLU A HB2 3 ATOM 3233 H HB3 . GLU A 1 23 ? 2.026 -2.211 3.284 1.00 0.00 ? 23 GLU A HB3 3 ATOM 3234 H HG2 . GLU A 1 23 ? 1.908 -3.611 5.065 1.00 0.00 ? 23 GLU A HG2 3 ATOM 3235 H HG3 . GLU A 1 23 ? 0.999 -2.464 6.048 1.00 0.00 ? 23 GLU A HG3 3 ATOM 3236 N N . ILE A 1 24 ? 2.718 0.848 2.831 1.00 0.00 ? 24 ILE A N 3 ATOM 3237 C CA . ILE A 1 24 ? 3.600 1.448 1.835 1.00 0.00 ? 24 ILE A CA 3 ATOM 3238 C C . ILE A 1 24 ? 4.663 2.309 2.522 1.00 0.00 ? 24 ILE A C 3 ATOM 3239 O O . ILE A 1 24 ? 5.835 2.290 2.145 1.00 0.00 ? 24 ILE A O 3 ATOM 3240 C CB . ILE A 1 24 ? 2.813 2.276 0.763 1.00 0.00 ? 24 ILE A CB 3 ATOM 3241 C CG1 . ILE A 1 24 ? 2.720 3.767 1.123 1.00 0.00 ? 24 ILE A CG1 3 ATOM 3242 C CG2 . ILE A 1 24 ? 1.417 1.707 0.559 1.00 0.00 ? 24 ILE A CG2 3 ATOM 3243 C CD1 . ILE A 1 24 ? 3.961 4.548 0.744 1.00 0.00 ? 24 ILE A CD1 3 ATOM 3244 H H . ILE A 1 24 ? 1.777 1.113 2.865 1.00 0.00 ? 24 ILE A H 3 ATOM 3245 H HA . ILE A 1 24 ? 4.103 0.638 1.322 1.00 0.00 ? 24 ILE A HA 3 ATOM 3246 H HB . ILE A 1 24 ? 3.342 2.179 -0.174 1.00 0.00 ? 24 ILE A HB 3 ATOM 3247 H HG12 . ILE A 1 24 ? 1.881 4.205 0.603 1.00 0.00 ? 24 ILE A HG12 3 ATOM 3248 H HG13 . ILE A 1 24 ? 2.574 3.868 2.187 1.00 0.00 ? 24 ILE A HG13 3 ATOM 3249 H HG21 . ILE A 1 24 ? 1.420 0.651 0.782 1.00 0.00 ? 24 ILE A HG21 3 ATOM 3250 H HG22 . ILE A 1 24 ? 0.725 2.211 1.217 1.00 0.00 ? 24 ILE A HG22 3 ATOM 3251 H HG23 . ILE A 1 24 ? 1.113 1.859 -0.465 1.00 0.00 ? 24 ILE A HG23 3 ATOM 3252 H HD11 . ILE A 1 24 ? 4.679 3.881 0.287 1.00 0.00 ? 24 ILE A HD11 3 ATOM 3253 H HD12 . ILE A 1 24 ? 4.393 4.989 1.630 1.00 0.00 ? 24 ILE A HD12 3 ATOM 3254 H HD13 . ILE A 1 24 ? 3.696 5.328 0.046 1.00 0.00 ? 24 ILE A HD13 3 ATOM 3255 N N . GLU A 1 25 ? 4.235 3.057 3.535 1.00 0.00 ? 25 GLU A N 3 ATOM 3256 C CA . GLU A 1 25 ? 5.138 3.921 4.285 1.00 0.00 ? 25 GLU A CA 3 ATOM 3257 C C . GLU A 1 25 ? 6.265 3.103 4.905 1.00 0.00 ? 25 GLU A C 3 ATOM 3258 O O . GLU A 1 25 ? 7.430 3.494 4.850 1.00 0.00 ? 25 GLU A O 3 ATOM 3259 C CB . GLU A 1 25 ? 4.374 4.671 5.376 1.00 0.00 ? 25 GLU A CB 3 ATOM 3260 C CG . GLU A 1 25 ? 4.568 6.178 5.328 1.00 0.00 ? 25 GLU A CG 3 ATOM 3261 C CD . GLU A 1 25 ? 5.145 6.733 6.616 1.00 0.00 ? 25 GLU A CD 3 ATOM 3262 O OE1 . GLU A 1 25 ? 4.463 6.644 7.659 1.00 0.00 ? 25 GLU A OE1 3 ATOM 3263 O OE2 . GLU A 1 25 ? 6.278 7.256 6.583 1.00 0.00 ? 25 GLU A OE2 3 ATOM 3264 H H . GLU A 1 25 ? 3.288 3.023 3.789 1.00 0.00 ? 25 GLU A H 3 ATOM 3265 H HA . GLU A 1 25 ? 5.563 4.635 3.596 1.00 0.00 ? 25 GLU A HA 3 ATOM 3266 H HB2 . GLU A 1 25 ? 3.320 4.462 5.271 1.00 0.00 ? 25 GLU A HB2 3 ATOM 3267 H HB3 . GLU A 1 25 ? 4.707 4.318 6.341 1.00 0.00 ? 25 GLU A HB3 3 ATOM 3268 H HG2 . GLU A 1 25 ? 5.242 6.416 4.520 1.00 0.00 ? 25 GLU A HG2 3 ATOM 3269 H HG3 . GLU A 1 25 ? 3.612 6.645 5.148 1.00 0.00 ? 25 GLU A HG3 3 ATOM 3270 N N . ARG A 1 26 ? 5.909 1.962 5.487 1.00 0.00 ? 26 ARG A N 3 ATOM 3271 C CA . ARG A 1 26 ? 6.895 1.087 6.108 1.00 0.00 ? 26 ARG A CA 3 ATOM 3272 C C . ARG A 1 26 ? 7.979 0.716 5.103 1.00 0.00 ? 26 ARG A C 3 ATOM 3273 O O . ARG A 1 26 ? 9.172 0.831 5.388 1.00 0.00 ? 26 ARG A O 3 ATOM 3274 C CB . ARG A 1 26 ? 6.222 -0.178 6.644 1.00 0.00 ? 26 ARG A CB 3 ATOM 3275 C CG . ARG A 1 26 ? 5.827 -0.082 8.109 1.00 0.00 ? 26 ARG A CG 3 ATOM 3276 C CD . ARG A 1 26 ? 5.083 1.211 8.402 1.00 0.00 ? 26 ARG A CD 3 ATOM 3277 N NE . ARG A 1 26 ? 4.253 1.107 9.598 1.00 0.00 ? 26 ARG A NE 3 ATOM 3278 C CZ . ARG A 1 26 ? 4.728 1.206 10.835 1.00 0.00 ? 26 ARG A CZ 3 ATOM 3279 N NH1 . ARG A 1 26 ? 6.023 1.410 11.034 1.00 0.00 ? 26 ARG A NH1 3 ATOM 3280 N NH2 . ARG A 1 26 ? 3.910 1.100 11.872 1.00 0.00 ? 26 ARG A NH2 3 ATOM 3281 H H . ARG A 1 26 ? 4.964 1.701 5.493 1.00 0.00 ? 26 ARG A H 3 ATOM 3282 H HA . ARG A 1 26 ? 7.347 1.623 6.929 1.00 0.00 ? 26 ARG A HA 3 ATOM 3283 H HB2 . ARG A 1 26 ? 5.331 -0.371 6.066 1.00 0.00 ? 26 ARG A HB2 3 ATOM 3284 H HB3 . ARG A 1 26 ? 6.902 -1.009 6.531 1.00 0.00 ? 26 ARG A HB3 3 ATOM 3285 H HG2 . ARG A 1 26 ? 5.186 -0.916 8.354 1.00 0.00 ? 26 ARG A HG2 3 ATOM 3286 H HG3 . ARG A 1 26 ? 6.720 -0.119 8.715 1.00 0.00 ? 26 ARG A HG3 3 ATOM 3287 H HD2 . ARG A 1 26 ? 5.804 2.002 8.543 1.00 0.00 ? 26 ARG A HD2 3 ATOM 3288 H HD3 . ARG A 1 26 ? 4.453 1.449 7.556 1.00 0.00 ? 26 ARG A HD3 3 ATOM 3289 H HE . ARG A 1 26 ? 3.293 0.956 9.473 1.00 0.00 ? 26 ARG A HE 3 ATOM 3290 H HH11 . ARG A 1 26 ? 6.644 1.490 10.254 1.00 0.00 ? 26 ARG A HH11 3 ATOM 3291 H HH12 . ARG A 1 26 ? 6.380 1.484 11.966 1.00 0.00 ? 26 ARG A HH12 3 ATOM 3292 H HH21 . ARG A 1 26 ? 2.933 0.946 11.725 1.00 0.00 ? 26 ARG A HH21 3 ATOM 3293 H HH22 . ARG A 1 26 ? 4.269 1.174 12.803 1.00 0.00 ? 26 ARG A HH22 3 ATOM 3294 N N . HIS A 1 27 ? 7.554 0.279 3.922 1.00 0.00 ? 27 HIS A N 3 ATOM 3295 C CA . HIS A 1 27 ? 8.487 -0.099 2.869 1.00 0.00 ? 27 HIS A CA 3 ATOM 3296 C C . HIS A 1 27 ? 9.318 1.104 2.432 1.00 0.00 ? 27 HIS A C 3 ATOM 3297 O O . HIS A 1 27 ? 10.432 0.954 1.930 1.00 0.00 ? 27 HIS A O 3 ATOM 3298 C CB . HIS A 1 27 ? 7.733 -0.675 1.670 1.00 0.00 ? 27 HIS A CB 3 ATOM 3299 C CG . HIS A 1 27 ? 7.782 -2.169 1.595 1.00 0.00 ? 27 HIS A CG 3 ATOM 3300 N ND1 . HIS A 1 27 ? 8.751 -2.857 0.894 1.00 0.00 ? 27 HIS A ND1 3 ATOM 3301 C CD2 . HIS A 1 27 ? 6.975 -3.112 2.138 1.00 0.00 ? 27 HIS A CD2 3 ATOM 3302 C CE1 . HIS A 1 27 ? 8.537 -4.155 1.008 1.00 0.00 ? 27 HIS A CE1 3 ATOM 3303 N NE2 . HIS A 1 27 ? 7.467 -4.337 1.757 1.00 0.00 ? 27 HIS A NE2 3 ATOM 3304 H H . HIS A 1 27 ? 6.590 0.216 3.752 1.00 0.00 ? 27 HIS A H 3 ATOM 3305 H HA . HIS A 1 27 ? 9.149 -0.854 3.266 1.00 0.00 ? 27 HIS A HA 3 ATOM 3306 H HB2 . HIS A 1 27 ? 6.696 -0.381 1.731 1.00 0.00 ? 27 HIS A HB2 3 ATOM 3307 H HB3 . HIS A 1 27 ? 8.160 -0.281 0.760 1.00 0.00 ? 27 HIS A HB3 3 ATOM 3308 H HD1 . HIS A 1 27 ? 9.486 -2.452 0.386 1.00 0.00 ? 27 HIS A HD1 3 ATOM 3309 H HD2 . HIS A 1 27 ? 6.106 -2.933 2.755 1.00 0.00 ? 27 HIS A HD2 3 ATOM 3310 H HE1 . HIS A 1 27 ? 9.137 -4.936 0.564 1.00 0.00 ? 27 HIS A HE1 3 ATOM 3311 H HE2 . HIS A 1 27 ? 7.086 -5.206 2.002 1.00 0.00 ? 27 HIS A HE2 3 ATOM 3312 N N . LYS A 1 28 ? 8.767 2.299 2.629 1.00 0.00 ? 28 LYS A N 3 ATOM 3313 C CA . LYS A 1 28 ? 9.453 3.530 2.259 1.00 0.00 ? 28 LYS A CA 3 ATOM 3314 C C . LYS A 1 28 ? 10.566 3.852 3.251 1.00 0.00 ? 28 LYS A C 3 ATOM 3315 O O . LYS A 1 28 ? 11.577 4.454 2.893 1.00 0.00 ? 28 LYS A O 3 ATOM 3316 C CB . LYS A 1 28 ? 8.462 4.693 2.194 1.00 0.00 ? 28 LYS A CB 3 ATOM 3317 C CG . LYS A 1 28 ? 8.951 5.865 1.359 1.00 0.00 ? 28 LYS A CG 3 ATOM 3318 C CD . LYS A 1 28 ? 9.810 6.814 2.180 1.00 0.00 ? 28 LYS A CD 3 ATOM 3319 C CE . LYS A 1 28 ? 8.980 7.941 2.774 1.00 0.00 ? 28 LYS A CE 3 ATOM 3320 N NZ . LYS A 1 28 ? 9.648 9.263 2.619 1.00 0.00 ? 28 LYS A NZ 3 ATOM 3321 H H . LYS A 1 28 ? 7.876 2.354 3.034 1.00 0.00 ? 28 LYS A H 3 ATOM 3322 H HA . LYS A 1 28 ? 9.889 3.386 1.283 1.00 0.00 ? 28 LYS A HA 3 ATOM 3323 H HB2 . LYS A 1 28 ? 7.535 4.337 1.767 1.00 0.00 ? 28 LYS A HB2 3 ATOM 3324 H HB3 . LYS A 1 28 ? 8.274 5.047 3.197 1.00 0.00 ? 28 LYS A HB3 3 ATOM 3325 H HG2 . LYS A 1 28 ? 9.539 5.487 0.535 1.00 0.00 ? 28 LYS A HG2 3 ATOM 3326 H HG3 . LYS A 1 28 ? 8.097 6.405 0.977 1.00 0.00 ? 28 LYS A HG3 3 ATOM 3327 H HD2 . LYS A 1 28 ? 10.274 6.261 2.983 1.00 0.00 ? 28 LYS A HD2 3 ATOM 3328 H HD3 . LYS A 1 28 ? 10.572 7.238 1.542 1.00 0.00 ? 28 LYS A HD3 3 ATOM 3329 H HE2 . LYS A 1 28 ? 8.024 7.970 2.274 1.00 0.00 ? 28 LYS A HE2 3 ATOM 3330 H HE3 . LYS A 1 28 ? 8.830 7.744 3.826 1.00 0.00 ? 28 LYS A HE3 3 ATOM 3331 H HZ1 . LYS A 1 28 ? 10.586 9.245 3.067 1.00 0.00 ? 28 LYS A HZ1 3 ATOM 3332 H HZ2 . LYS A 1 28 ? 9.762 9.491 1.612 1.00 0.00 ? 28 LYS A HZ2 3 ATOM 3333 H HZ3 . LYS A 1 28 ? 9.076 10.007 3.068 1.00 0.00 ? 28 LYS A HZ3 3 ATOM 3334 N N . GLN A 1 29 ? 10.372 3.445 4.502 1.00 0.00 ? 29 GLN A N 3 ATOM 3335 C CA . GLN A 1 29 ? 11.358 3.688 5.546 1.00 0.00 ? 29 GLN A CA 3 ATOM 3336 C C . GLN A 1 29 ? 12.549 2.749 5.393 1.00 0.00 ? 29 GLN A C 3 ATOM 3337 O O . GLN A 1 29 ? 13.688 3.122 5.676 1.00 0.00 ? 29 GLN A O 3 ATOM 3338 C CB . GLN A 1 29 ? 10.726 3.509 6.928 1.00 0.00 ? 29 GLN A CB 3 ATOM 3339 C CG . GLN A 1 29 ? 11.455 4.255 8.032 1.00 0.00 ? 29 GLN A CG 3 ATOM 3340 C CD . GLN A 1 29 ? 10.507 4.941 8.997 1.00 0.00 ? 29 GLN A CD 3 ATOM 3341 O OE1 . GLN A 1 29 ? 9.789 4.285 9.750 1.00 0.00 ? 29 GLN A OE1 3 ATOM 3342 N NE2 . GLN A 1 29 ? 10.501 6.269 8.977 1.00 0.00 ? 29 GLN A NE2 3 ATOM 3343 H H . GLN A 1 29 ? 9.546 2.969 4.726 1.00 0.00 ? 29 GLN A H 3 ATOM 3344 H HA . GLN A 1 29 ? 11.703 4.706 5.446 1.00 0.00 ? 29 GLN A HA 3 ATOM 3345 H HB2 . GLN A 1 29 ? 9.707 3.866 6.894 1.00 0.00 ? 29 GLN A HB2 3 ATOM 3346 H HB3 . GLN A 1 29 ? 10.722 2.458 7.175 1.00 0.00 ? 29 GLN A HB3 3 ATOM 3347 H HG2 . GLN A 1 29 ? 12.061 3.553 8.585 1.00 0.00 ? 29 GLN A HG2 3 ATOM 3348 H HG3 . GLN A 1 29 ? 12.092 5.004 7.584 1.00 0.00 ? 29 GLN A HG3 3 ATOM 3349 H HE21 . GLN A 1 29 ? 11.100 6.725 8.350 1.00 0.00 ? 29 GLN A HE21 3 ATOM 3350 H HE22 . GLN A 1 29 ? 9.897 6.738 9.590 1.00 0.00 ? 29 GLN A HE22 3 ATOM 3351 N N . SER A 1 30 ? 12.278 1.529 4.942 1.00 0.00 ? 30 SER A N 3 ATOM 3352 C CA . SER A 1 30 ? 13.330 0.537 4.749 1.00 0.00 ? 30 SER A CA 3 ATOM 3353 C C . SER A 1 30 ? 14.155 0.855 3.508 1.00 0.00 ? 30 SER A C 3 ATOM 3354 O O . SER A 1 30 ? 15.378 0.720 3.513 1.00 0.00 ? 30 SER A O 3 ATOM 3355 C CB . SER A 1 30 ? 12.724 -0.862 4.630 1.00 0.00 ? 30 SER A CB 3 ATOM 3356 O OG . SER A 1 30 ? 13.493 -1.815 5.343 1.00 0.00 ? 30 SER A OG 3 ATOM 3357 H H . SER A 1 30 ? 11.351 1.291 4.732 1.00 0.00 ? 30 SER A H 3 ATOM 3358 H HA . SER A 1 30 ? 13.976 0.568 5.613 1.00 0.00 ? 30 SER A HA 3 ATOM 3359 H HB2 . SER A 1 30 ? 11.722 -0.855 5.032 1.00 0.00 ? 30 SER A HB2 3 ATOM 3360 H HB3 . SER A 1 30 ? 12.691 -1.151 3.589 1.00 0.00 ? 30 SER A HB3 3 ATOM 3361 H HG . SER A 1 30 ? 12.918 -2.328 5.915 1.00 0.00 ? 30 SER A HG 3 ATOM 3362 N N . ILE A 1 31 ? 13.479 1.280 2.444 1.00 0.00 ? 31 ILE A N 3 ATOM 3363 C CA . ILE A 1 31 ? 14.152 1.621 1.197 1.00 0.00 ? 31 ILE A CA 3 ATOM 3364 C C . ILE A 1 31 ? 14.883 2.953 1.321 1.00 0.00 ? 31 ILE A C 3 ATOM 3365 O O . ILE A 1 31 ? 15.867 3.200 0.622 1.00 0.00 ? 31 ILE A O 3 ATOM 3366 C CB . ILE A 1 31 ? 13.145 1.687 0.030 1.00 0.00 ? 31 ILE A CB 3 ATOM 3367 C CG1 . ILE A 1 31 ? 13.830 2.118 -1.270 1.00 0.00 ? 31 ILE A CG1 3 ATOM 3368 C CG2 . ILE A 1 31 ? 12.005 2.633 0.369 1.00 0.00 ? 31 ILE A CG2 3 ATOM 3369 C CD1 . ILE A 1 31 ? 14.629 1.017 -1.926 1.00 0.00 ? 31 ILE A CD1 3 ATOM 3370 H H . ILE A 1 31 ? 12.504 1.370 2.501 1.00 0.00 ? 31 ILE A H 3 ATOM 3371 H HA . ILE A 1 31 ? 14.871 0.843 0.982 1.00 0.00 ? 31 ILE A HA 3 ATOM 3372 H HB . ILE A 1 31 ? 12.730 0.699 -0.105 1.00 0.00 ? 31 ILE A HB 3 ATOM 3373 H HG12 . ILE A 1 31 ? 13.076 2.441 -1.973 1.00 0.00 ? 31 ILE A HG12 3 ATOM 3374 H HG13 . ILE A 1 31 ? 14.499 2.941 -1.066 1.00 0.00 ? 31 ILE A HG13 3 ATOM 3375 H HG21 . ILE A 1 31 ? 12.076 2.926 1.406 1.00 0.00 ? 31 ILE A HG21 3 ATOM 3376 H HG22 . ILE A 1 31 ? 12.069 3.511 -0.258 1.00 0.00 ? 31 ILE A HG22 3 ATOM 3377 H HG23 . ILE A 1 31 ? 11.062 2.136 0.198 1.00 0.00 ? 31 ILE A HG23 3 ATOM 3378 H HD11 . ILE A 1 31 ? 15.353 0.630 -1.224 1.00 0.00 ? 31 ILE A HD11 3 ATOM 3379 H HD12 . ILE A 1 31 ? 13.962 0.224 -2.228 1.00 0.00 ? 31 ILE A HD12 3 ATOM 3380 H HD13 . ILE A 1 31 ? 15.140 1.408 -2.792 1.00 0.00 ? 31 ILE A HD13 3 ATOM 3381 N N . LYS A 1 32 ? 14.402 3.805 2.218 1.00 0.00 ? 32 LYS A N 3 ATOM 3382 C CA . LYS A 1 32 ? 15.013 5.110 2.436 1.00 0.00 ? 32 LYS A CA 3 ATOM 3383 C C . LYS A 1 32 ? 16.261 4.984 3.303 1.00 0.00 ? 32 LYS A C 3 ATOM 3384 O O . LYS A 1 32 ? 17.246 5.694 3.098 1.00 0.00 ? 32 LYS A O 3 ATOM 3385 C CB . LYS A 1 32 ? 14.014 6.064 3.093 1.00 0.00 ? 32 LYS A CB 3 ATOM 3386 C CG . LYS A 1 32 ? 14.594 7.434 3.404 1.00 0.00 ? 32 LYS A CG 3 ATOM 3387 C CD . LYS A 1 32 ? 14.323 7.840 4.842 1.00 0.00 ? 32 LYS A CD 3 ATOM 3388 C CE . LYS A 1 32 ? 13.114 8.756 4.944 1.00 0.00 ? 32 LYS A CE 3 ATOM 3389 N NZ . LYS A 1 32 ? 12.689 8.961 6.356 1.00 0.00 ? 32 LYS A NZ 3 ATOM 3390 H H . LYS A 1 32 ? 13.618 3.550 2.748 1.00 0.00 ? 32 LYS A H 3 ATOM 3391 H HA . LYS A 1 32 ? 15.298 5.508 1.473 1.00 0.00 ? 32 LYS A HA 3 ATOM 3392 H HB2 . LYS A 1 32 ? 13.171 6.196 2.430 1.00 0.00 ? 32 LYS A HB2 3 ATOM 3393 H HB3 . LYS A 1 32 ? 13.669 5.625 4.017 1.00 0.00 ? 32 LYS A HB3 3 ATOM 3394 H HG2 . LYS A 1 32 ? 15.662 7.407 3.243 1.00 0.00 ? 32 LYS A HG2 3 ATOM 3395 H HG3 . LYS A 1 32 ? 14.147 8.162 2.742 1.00 0.00 ? 32 LYS A HG3 3 ATOM 3396 H HD2 . LYS A 1 32 ? 14.140 6.953 5.428 1.00 0.00 ? 32 LYS A HD2 3 ATOM 3397 H HD3 . LYS A 1 32 ? 15.190 8.358 5.229 1.00 0.00 ? 32 LYS A HD3 3 ATOM 3398 H HE2 . LYS A 1 32 ? 13.365 9.714 4.512 1.00 0.00 ? 32 LYS A HE2 3 ATOM 3399 H HE3 . LYS A 1 32 ? 12.297 8.316 4.391 1.00 0.00 ? 32 LYS A HE3 3 ATOM 3400 H HZ1 . LYS A 1 32 ? 13.320 8.440 6.998 1.00 0.00 ? 32 LYS A HZ1 3 ATOM 3401 H HZ2 . LYS A 1 32 ? 12.725 9.972 6.599 1.00 0.00 ? 32 LYS A HZ2 3 ATOM 3402 H HZ3 . LYS A 1 32 ? 11.716 8.619 6.490 1.00 0.00 ? 32 LYS A HZ3 3 ATOM 3403 N N . LYS A 1 33 ? 16.213 4.074 4.270 1.00 0.00 ? 33 LYS A N 3 ATOM 3404 C CA . LYS A 1 33 ? 17.343 3.852 5.165 1.00 0.00 ? 33 LYS A CA 3 ATOM 3405 C C . LYS A 1 33 ? 18.414 3.010 4.483 1.00 0.00 ? 33 LYS A C 3 ATOM 3406 O O . LYS A 1 33 ? 19.598 3.114 4.802 1.00 0.00 ? 33 LYS A O 3 ATOM 3407 C CB . LYS A 1 33 ? 16.877 3.166 6.451 1.00 0.00 ? 33 LYS A CB 3 ATOM 3408 C CG . LYS A 1 33 ? 18.006 2.865 7.423 1.00 0.00 ? 33 LYS A CG 3 ATOM 3409 C CD . LYS A 1 33 ? 18.027 3.855 8.575 1.00 0.00 ? 33 LYS A CD 3 ATOM 3410 C CE . LYS A 1 33 ? 17.793 3.164 9.909 1.00 0.00 ? 33 LYS A CE 3 ATOM 3411 N NZ . LYS A 1 33 ? 16.469 3.515 10.492 1.00 0.00 ? 33 LYS A NZ 3 ATOM 3412 H H . LYS A 1 33 ? 15.402 3.535 4.382 1.00 0.00 ? 33 LYS A H 3 ATOM 3413 H HA . LYS A 1 33 ? 17.763 4.815 5.413 1.00 0.00 ? 33 LYS A HA 3 ATOM 3414 H HB2 . LYS A 1 33 ? 16.163 3.805 6.948 1.00 0.00 ? 33 LYS A HB2 3 ATOM 3415 H HB3 . LYS A 1 33 ? 16.395 2.234 6.193 1.00 0.00 ? 33 LYS A HB3 3 ATOM 3416 H HG2 . LYS A 1 33 ? 17.871 1.870 7.819 1.00 0.00 ? 33 LYS A HG2 3 ATOM 3417 H HG3 . LYS A 1 33 ? 18.947 2.920 6.895 1.00 0.00 ? 33 LYS A HG3 3 ATOM 3418 H HD2 . LYS A 1 33 ? 18.989 4.345 8.599 1.00 0.00 ? 33 LYS A HD2 3 ATOM 3419 H HD3 . LYS A 1 33 ? 17.251 4.590 8.420 1.00 0.00 ? 33 LYS A HD3 3 ATOM 3420 H HE2 . LYS A 1 33 ? 17.839 2.095 9.758 1.00 0.00 ? 33 LYS A HE2 3 ATOM 3421 H HE3 . LYS A 1 33 ? 18.571 3.463 10.596 1.00 0.00 ? 33 LYS A HE3 3 ATOM 3422 H HZ1 . LYS A 1 33 ? 16.068 4.338 9.999 1.00 0.00 ? 33 LYS A HZ1 3 ATOM 3423 H HZ2 . LYS A 1 33 ? 15.812 2.714 10.396 1.00 0.00 ? 33 LYS A HZ2 3 ATOM 3424 H HZ3 . LYS A 1 33 ? 16.573 3.745 11.501 1.00 0.00 ? 33 LYS A HZ3 3 ATOM 3425 N N . LEU A 1 34 ? 17.989 2.177 3.538 1.00 0.00 ? 34 LEU A N 3 ATOM 3426 C CA . LEU A 1 34 ? 18.910 1.318 2.805 1.00 0.00 ? 34 LEU A CA 3 ATOM 3427 C C . LEU A 1 34 ? 19.614 2.100 1.702 1.00 0.00 ? 34 LEU A C 3 ATOM 3428 O O . LEU A 1 34 ? 20.760 1.813 1.358 1.00 0.00 ? 34 LEU A O 3 ATOM 3429 C CB . LEU A 1 34 ? 18.164 0.124 2.207 1.00 0.00 ? 34 LEU A CB 3 ATOM 3430 C CG . LEU A 1 34 ? 18.395 -1.208 2.922 1.00 0.00 ? 34 LEU A CG 3 ATOM 3431 C CD1 . LEU A 1 34 ? 17.225 -2.150 2.688 1.00 0.00 ? 34 LEU A CD1 3 ATOM 3432 C CD2 . LEU A 1 34 ? 19.695 -1.844 2.455 1.00 0.00 ? 34 LEU A CD2 3 ATOM 3433 H H . LEU A 1 34 ? 17.032 2.142 3.327 1.00 0.00 ? 34 LEU A H 3 ATOM 3434 H HA . LEU A 1 34 ? 19.651 0.956 3.503 1.00 0.00 ? 34 LEU A HA 3 ATOM 3435 H HB2 . LEU A 1 34 ? 17.106 0.342 2.227 1.00 0.00 ? 34 LEU A HB2 3 ATOM 3436 H HB3 . LEU A 1 34 ? 18.471 0.013 1.179 1.00 0.00 ? 34 LEU A HB3 3 ATOM 3437 H HG . LEU A 1 34 ? 18.472 -1.030 3.986 1.00 0.00 ? 34 LEU A HG 3 ATOM 3438 H HD11 . LEU A 1 34 ? 16.301 -1.592 2.719 1.00 0.00 ? 34 LEU A HD11 3 ATOM 3439 H HD12 . LEU A 1 34 ? 17.329 -2.619 1.721 1.00 0.00 ? 34 LEU A HD12 3 ATOM 3440 H HD13 . LEU A 1 34 ? 17.213 -2.908 3.456 1.00 0.00 ? 34 LEU A HD13 3 ATOM 3441 H HD21 . LEU A 1 34 ? 20.394 -1.070 2.174 1.00 0.00 ? 34 LEU A HD21 3 ATOM 3442 H HD22 . LEU A 1 34 ? 20.116 -2.434 3.255 1.00 0.00 ? 34 LEU A HD22 3 ATOM 3443 H HD23 . LEU A 1 34 ? 19.500 -2.478 1.603 1.00 0.00 ? 34 LEU A HD23 3 ATOM 3444 N N . LYS A 1 35 ? 18.920 3.092 1.151 1.00 0.00 ? 35 LYS A N 3 ATOM 3445 C CA . LYS A 1 35 ? 19.481 3.915 0.087 1.00 0.00 ? 35 LYS A CA 3 ATOM 3446 C C . LYS A 1 35 ? 20.460 4.938 0.653 1.00 0.00 ? 35 LYS A C 3 ATOM 3447 O O . LYS A 1 35 ? 21.471 5.257 0.029 1.00 0.00 ? 35 LYS A O 3 ATOM 3448 C CB . LYS A 1 35 ? 18.365 4.628 -0.679 1.00 0.00 ? 35 LYS A CB 3 ATOM 3449 C CG . LYS A 1 35 ? 17.701 5.744 0.111 1.00 0.00 ? 35 LYS A CG 3 ATOM 3450 C CD . LYS A 1 35 ? 16.725 6.531 -0.749 1.00 0.00 ? 35 LYS A CD 3 ATOM 3451 C CE . LYS A 1 35 ? 17.436 7.604 -1.558 1.00 0.00 ? 35 LYS A CE 3 ATOM 3452 N NZ . LYS A 1 35 ? 16.484 8.410 -2.369 1.00 0.00 ? 35 LYS A NZ 3 ATOM 3453 H H . LYS A 1 35 ? 18.010 3.274 1.468 1.00 0.00 ? 35 LYS A H 3 ATOM 3454 H HA . LYS A 1 35 ? 20.012 3.264 -0.591 1.00 0.00 ? 35 LYS A HA 3 ATOM 3455 H HB2 . LYS A 1 35 ? 18.778 5.053 -1.582 1.00 0.00 ? 35 LYS A HB2 3 ATOM 3456 H HB3 . LYS A 1 35 ? 17.608 3.905 -0.945 1.00 0.00 ? 35 LYS A HB3 3 ATOM 3457 H HG2 . LYS A 1 35 ? 17.165 5.313 0.943 1.00 0.00 ? 35 LYS A HG2 3 ATOM 3458 H HG3 . LYS A 1 35 ? 18.464 6.414 0.480 1.00 0.00 ? 35 LYS A HG3 3 ATOM 3459 H HD2 . LYS A 1 35 ? 16.230 5.853 -1.427 1.00 0.00 ? 35 LYS A HD2 3 ATOM 3460 H HD3 . LYS A 1 35 ? 15.994 7.001 -0.108 1.00 0.00 ? 35 LYS A HD3 3 ATOM 3461 H HE2 . LYS A 1 35 ? 17.962 8.259 -0.881 1.00 0.00 ? 35 LYS A HE2 3 ATOM 3462 H HE3 . LYS A 1 35 ? 18.145 7.127 -2.219 1.00 0.00 ? 35 LYS A HE3 3 ATOM 3463 H HZ1 . LYS A 1 35 ? 15.505 8.129 -2.157 1.00 0.00 ? 35 LYS A HZ1 3 ATOM 3464 H HZ2 . LYS A 1 35 ? 16.596 9.421 -2.153 1.00 0.00 ? 35 LYS A HZ2 3 ATOM 3465 H HZ3 . LYS A 1 35 ? 16.663 8.261 -3.383 1.00 0.00 ? 35 LYS A HZ3 3 ATOM 3466 N N . GLN A 1 36 ? 20.154 5.447 1.843 1.00 0.00 ? 36 GLN A N 3 ATOM 3467 C CA . GLN A 1 36 ? 21.010 6.431 2.494 1.00 0.00 ? 36 GLN A CA 3 ATOM 3468 C C . GLN A 1 36 ? 22.223 5.757 3.125 1.00 0.00 ? 36 GLN A C 3 ATOM 3469 O O . GLN A 1 36 ? 23.295 6.355 3.229 1.00 0.00 ? 36 GLN A O 3 ATOM 3470 C CB . GLN A 1 36 ? 20.224 7.198 3.560 1.00 0.00 ? 36 GLN A CB 3 ATOM 3471 C CG . GLN A 1 36 ? 20.934 8.447 4.057 1.00 0.00 ? 36 GLN A CG 3 ATOM 3472 C CD . GLN A 1 36 ? 20.452 9.706 3.365 1.00 0.00 ? 36 GLN A CD 3 ATOM 3473 O OE1 . GLN A 1 36 ? 20.912 10.044 2.275 1.00 0.00 ? 36 GLN A OE1 3 ATOM 3474 N NE2 . GLN A 1 36 ? 19.519 10.409 3.997 1.00 0.00 ? 36 GLN A NE2 3 ATOM 3475 H H . GLN A 1 36 ? 19.334 5.152 2.294 1.00 0.00 ? 36 GLN A H 3 ATOM 3476 H HA . GLN A 1 36 ? 21.351 7.125 1.740 1.00 0.00 ? 36 GLN A HA 3 ATOM 3477 H HB2 . GLN A 1 36 ? 19.272 7.493 3.145 1.00 0.00 ? 36 GLN A HB2 3 ATOM 3478 H HB3 . GLN A 1 36 ? 20.054 6.546 4.403 1.00 0.00 ? 36 GLN A HB3 3 ATOM 3479 H HG2 . GLN A 1 36 ? 20.757 8.547 5.118 1.00 0.00 ? 36 GLN A HG2 3 ATOM 3480 H HG3 . GLN A 1 36 ? 21.993 8.338 3.880 1.00 0.00 ? 36 GLN A HG3 3 ATOM 3481 H HE21 . GLN A 1 36 ? 19.198 10.079 4.863 1.00 0.00 ? 36 GLN A HE21 3 ATOM 3482 H HE22 . GLN A 1 36 ? 19.189 11.228 3.572 1.00 0.00 ? 36 GLN A HE22 3 ATOM 3483 N N . SER A 1 37 ? 22.048 4.508 3.543 1.00 0.00 ? 37 SER A N 3 ATOM 3484 C CA . SER A 1 37 ? 23.129 3.751 4.161 1.00 0.00 ? 37 SER A CA 3 ATOM 3485 C C . SER A 1 37 ? 24.099 3.234 3.104 1.00 0.00 ? 37 SER A C 3 ATOM 3486 O O . SER A 1 37 ? 25.279 3.020 3.381 1.00 0.00 ? 37 SER A O 3 ATOM 3487 C CB . SER A 1 37 ? 22.563 2.579 4.967 1.00 0.00 ? 37 SER A CB 3 ATOM 3488 O OG . SER A 1 37 ? 23.502 2.118 5.924 1.00 0.00 ? 37 SER A OG 3 ATOM 3489 H H . SER A 1 37 ? 21.170 4.085 3.431 1.00 0.00 ? 37 SER A H 3 ATOM 3490 H HA . SER A 1 37 ? 23.659 4.413 4.828 1.00 0.00 ? 37 SER A HA 3 ATOM 3491 H HB2 . SER A 1 37 ? 21.670 2.898 5.483 1.00 0.00 ? 37 SER A HB2 3 ATOM 3492 H HB3 . SER A 1 37 ? 22.322 1.768 4.297 1.00 0.00 ? 37 SER A HB3 3 ATOM 3493 H HG . SER A 1 37 ? 23.612 1.169 5.833 1.00 0.00 ? 37 SER A HG 3 ATOM 3494 N N . GLU A 1 38 ? 23.593 3.038 1.890 1.00 0.00 ? 38 GLU A N 3 ATOM 3495 C CA . GLU A 1 38 ? 24.415 2.550 0.791 1.00 0.00 ? 38 GLU A CA 3 ATOM 3496 C C . GLU A 1 38 ? 25.342 3.647 0.277 1.00 0.00 ? 38 GLU A C 3 ATOM 3497 O O . GLU A 1 38 ? 26.424 3.368 -0.242 1.00 0.00 ? 38 GLU A O 3 ATOM 3498 C CB . GLU A 1 38 ? 23.531 2.038 -0.348 1.00 0.00 ? 38 GLU A CB 3 ATOM 3499 C CG . GLU A 1 38 ? 23.868 0.623 -0.792 1.00 0.00 ? 38 GLU A CG 3 ATOM 3500 C CD . GLU A 1 38 ? 23.812 0.456 -2.297 1.00 0.00 ? 38 GLU A CD 3 ATOM 3501 O OE1 . GLU A 1 38 ? 22.880 1.005 -2.921 1.00 0.00 ? 38 GLU A OE1 3 ATOM 3502 O OE2 . GLU A 1 38 ? 24.700 -0.224 -2.853 1.00 0.00 ? 38 GLU A OE2 3 ATOM 3503 H H . GLU A 1 38 ? 22.645 3.229 1.730 1.00 0.00 ? 38 GLU A H 3 ATOM 3504 H HA . GLU A 1 38 ? 25.016 1.733 1.162 1.00 0.00 ? 38 GLU A HA 3 ATOM 3505 H HB2 . GLU A 1 38 ? 22.501 2.055 -0.023 1.00 0.00 ? 38 GLU A HB2 3 ATOM 3506 H HB3 . GLU A 1 38 ? 23.642 2.694 -1.198 1.00 0.00 ? 38 GLU A HB3 3 ATOM 3507 H HG2 . GLU A 1 38 ? 24.865 0.382 -0.455 1.00 0.00 ? 38 GLU A HG2 3 ATOM 3508 H HG3 . GLU A 1 38 ? 23.162 -0.059 -0.341 1.00 0.00 ? 38 GLU A HG3 3 ATOM 3509 N N . ASP A 1 39 ? 24.911 4.895 0.425 1.00 0.00 ? 39 ASP A N 3 ATOM 3510 C CA . ASP A 1 39 ? 25.703 6.035 -0.022 1.00 0.00 ? 39 ASP A CA 3 ATOM 3511 C C . ASP A 1 39 ? 26.906 6.253 0.889 1.00 0.00 ? 39 ASP A C 3 ATOM 3512 O O . ASP A 1 39 ? 27.918 6.818 0.473 1.00 0.00 ? 39 ASP A O 3 ATOM 3513 C CB . ASP A 1 39 ? 24.841 7.298 -0.059 1.00 0.00 ? 39 ASP A CB 3 ATOM 3514 C CG . ASP A 1 39 ? 24.806 7.935 -1.435 1.00 0.00 ? 39 ASP A CG 3 ATOM 3515 O OD1 . ASP A 1 39 ? 25.814 8.561 -1.825 1.00 0.00 ? 39 ASP A OD1 3 ATOM 3516 O OD2 . ASP A 1 39 ? 23.770 7.806 -2.122 1.00 0.00 ? 39 ASP A OD2 3 ATOM 3517 H H . ASP A 1 39 ? 24.040 5.054 0.848 1.00 0.00 ? 39 ASP A H 3 ATOM 3518 H HA . ASP A 1 39 ? 26.055 5.821 -1.020 1.00 0.00 ? 39 ASP A HA 3 ATOM 3519 H HB2 . ASP A 1 39 ? 23.831 7.046 0.226 1.00 0.00 ? 39 ASP A HB2 3 ATOM 3520 H HB3 . ASP A 1 39 ? 25.239 8.019 0.641 1.00 0.00 ? 39 ASP A HB3 3 ATOM 3521 N N . ASP A 1 40 ? 26.790 5.801 2.134 1.00 0.00 ? 40 ASP A N 3 ATOM 3522 C CA . ASP A 1 40 ? 27.870 5.947 3.104 1.00 0.00 ? 40 ASP A CA 3 ATOM 3523 C C . ASP A 1 40 ? 28.867 4.800 2.984 1.00 0.00 ? 40 ASP A C 3 ATOM 3524 O O . ASP A 1 40 ? 30.073 4.995 3.139 1.00 0.00 ? 40 ASP A O 3 ATOM 3525 C CB . ASP A 1 40 ? 27.303 6.001 4.523 1.00 0.00 ? 40 ASP A CB 3 ATOM 3526 C CG . ASP A 1 40 ? 28.389 6.122 5.576 1.00 0.00 ? 40 ASP A CG 3 ATOM 3527 O OD1 . ASP A 1 40 ? 28.829 7.259 5.844 1.00 0.00 ? 40 ASP A OD1 3 ATOM 3528 O OD2 . ASP A 1 40 ? 28.799 5.080 6.129 1.00 0.00 ? 40 ASP A OD2 3 ATOM 3529 H H . ASP A 1 40 ? 25.959 5.360 2.407 1.00 0.00 ? 40 ASP A H 3 ATOM 3530 H HA . ASP A 1 40 ? 28.379 6.876 2.895 1.00 0.00 ? 40 ASP A HA 3 ATOM 3531 H HB2 . ASP A 1 40 ? 26.647 6.853 4.611 1.00 0.00 ? 40 ASP A HB2 3 ATOM 3532 H HB3 . ASP A 1 40 ? 26.742 5.098 4.715 1.00 0.00 ? 40 ASP A HB3 3 ATOM 3533 N N . ASP A 1 41 ? 28.357 3.604 2.709 1.00 0.00 ? 41 ASP A N 3 ATOM 3534 C CA . ASP A 1 41 ? 29.204 2.425 2.569 1.00 0.00 ? 41 ASP A CA 3 ATOM 3535 C C . ASP A 1 41 ? 29.790 2.014 3.915 1.00 0.00 ? 41 ASP A C 3 ATOM 3536 O O . ASP A 1 41 ? 29.463 2.669 4.928 1.00 0.00 ? 41 ASP A O 3 ATOM 3537 C CB . ASP A 1 41 ? 30.330 2.697 1.569 1.00 0.00 ? 41 ASP A CB 3 ATOM 3538 C CG . ASP A 1 41 ? 30.739 1.451 0.809 1.00 0.00 ? 41 ASP A CG 3 ATOM 3539 O OD1 . ASP A 1 41 ? 30.839 0.377 1.439 1.00 0.00 ? 41 ASP A OD1 3 ATOM 3540 O OD2 . ASP A 1 41 ? 30.961 1.549 -0.417 1.00 0.00 ? 41 ASP A OD2 3 ATOM 3541 O OXT . ASP A 1 41 ? 30.572 1.041 3.946 1.00 0.00 ? 41 ASP A OXT 3 ATOM 3542 H H . ASP A 1 41 ? 27.388 3.513 2.597 1.00 0.00 ? 41 ASP A H 3 ATOM 3543 H HA . ASP A 1 41 ? 28.590 1.619 2.196 1.00 0.00 ? 41 ASP A HA 3 ATOM 3544 H HB2 . ASP A 1 41 ? 30.000 3.438 0.857 1.00 0.00 ? 41 ASP A HB2 3 ATOM 3545 H HB3 . ASP A 1 41 ? 31.192 3.071 2.101 1.00 0.00 ? 41 ASP A HB3 3 ATOM 3546 N N . ALA B 1 1 ? 32.774 -11.898 0.125 1.00 0.00 ? 1 ALA B N 3 ATOM 3547 C CA . ALA B 1 1 ? 31.578 -11.377 0.838 1.00 0.00 ? 1 ALA B CA 3 ATOM 3548 C C . ALA B 1 1 ? 31.011 -10.151 0.132 1.00 0.00 ? 1 ALA B C 3 ATOM 3549 O O . ALA B 1 1 ? 30.780 -9.115 0.754 1.00 0.00 ? 1 ALA B O 3 ATOM 3550 C CB . ALA B 1 1 ? 31.932 -11.039 2.279 1.00 0.00 ? 1 ALA B CB 3 ATOM 3551 H H1 . ALA B 1 1 ? 33.274 -11.086 -0.291 1.00 0.00 ? 1 ALA B H1 3 ATOM 3552 H H2 . ALA B 1 1 ? 33.369 -12.389 0.823 1.00 0.00 ? 1 ALA B H2 3 ATOM 3553 H H3 . ALA B 1 1 ? 32.443 -12.551 -0.613 1.00 0.00 ? 1 ALA B H3 3 ATOM 3554 H HA . ALA B 1 1 ? 30.826 -12.152 0.851 1.00 0.00 ? 1 ALA B HA 3 ATOM 3555 H HB1 . ALA B 1 1 ? 32.946 -10.675 2.325 1.00 0.00 ? 1 ALA B HB1 3 ATOM 3556 H HB2 . ALA B 1 1 ? 31.838 -11.925 2.890 1.00 0.00 ? 1 ALA B HB2 3 ATOM 3557 H HB3 . ALA B 1 1 ? 31.259 -10.278 2.645 1.00 0.00 ? 1 ALA B HB3 3 ATOM 3558 N N . LEU B 1 2 ? 30.787 -10.277 -1.172 1.00 0.00 ? 2 LEU B N 3 ATOM 3559 C CA . LEU B 1 2 ? 30.245 -9.178 -1.964 1.00 0.00 ? 2 LEU B CA 3 ATOM 3560 C C . LEU B 1 2 ? 28.926 -8.685 -1.379 1.00 0.00 ? 2 LEU B C 3 ATOM 3561 O O . LEU B 1 2 ? 28.114 -9.477 -0.899 1.00 0.00 ? 2 LEU B O 3 ATOM 3562 C CB . LEU B 1 2 ? 30.040 -9.619 -3.414 1.00 0.00 ? 2 LEU B CB 3 ATOM 3563 C CG . LEU B 1 2 ? 31.292 -10.155 -4.111 1.00 0.00 ? 2 LEU B CG 3 ATOM 3564 C CD1 . LEU B 1 2 ? 30.935 -11.305 -5.039 1.00 0.00 ? 2 LEU B CD1 3 ATOM 3565 C CD2 . LEU B 1 2 ? 31.989 -9.042 -4.881 1.00 0.00 ? 2 LEU B CD2 3 ATOM 3566 H H . LEU B 1 2 ? 30.991 -11.127 -1.613 1.00 0.00 ? 2 LEU B H 3 ATOM 3567 H HA . LEU B 1 2 ? 30.960 -8.369 -1.941 1.00 0.00 ? 2 LEU B HA 3 ATOM 3568 H HB2 . LEU B 1 2 ? 29.286 -10.392 -3.430 1.00 0.00 ? 2 LEU B HB2 3 ATOM 3569 H HB3 . LEU B 1 2 ? 29.676 -8.774 -3.978 1.00 0.00 ? 2 LEU B HB3 3 ATOM 3570 H HG . LEU B 1 2 ? 31.979 -10.528 -3.366 1.00 0.00 ? 2 LEU B HG 3 ATOM 3571 H HD11 . LEU B 1 2 ? 30.027 -11.068 -5.574 1.00 0.00 ? 2 LEU B HD11 3 ATOM 3572 H HD12 . LEU B 1 2 ? 31.738 -11.461 -5.745 1.00 0.00 ? 2 LEU B HD12 3 ATOM 3573 H HD13 . LEU B 1 2 ? 30.787 -12.203 -4.459 1.00 0.00 ? 2 LEU B HD13 3 ATOM 3574 H HD21 . LEU B 1 2 ? 31.263 -8.298 -5.173 1.00 0.00 ? 2 LEU B HD21 3 ATOM 3575 H HD22 . LEU B 1 2 ? 32.740 -8.587 -4.253 1.00 0.00 ? 2 LEU B HD22 3 ATOM 3576 H HD23 . LEU B 1 2 ? 32.458 -9.454 -5.762 1.00 0.00 ? 2 LEU B HD23 3 ATOM 3577 N N . LYS B 1 3 ? 28.718 -7.373 -1.422 1.00 0.00 ? 3 LYS B N 3 ATOM 3578 C CA . LYS B 1 3 ? 27.497 -6.775 -0.896 1.00 0.00 ? 3 LYS B CA 3 ATOM 3579 C C . LYS B 1 3 ? 26.475 -6.558 -2.007 1.00 0.00 ? 3 LYS B C 3 ATOM 3580 O O . LYS B 1 3 ? 25.631 -5.665 -1.924 1.00 0.00 ? 3 LYS B O 3 ATOM 3581 C CB . LYS B 1 3 ? 27.810 -5.444 -0.209 1.00 0.00 ? 3 LYS B CB 3 ATOM 3582 C CG . LYS B 1 3 ? 27.389 -5.398 1.250 1.00 0.00 ? 3 LYS B CG 3 ATOM 3583 C CD . LYS B 1 3 ? 28.366 -6.154 2.136 1.00 0.00 ? 3 LYS B CD 3 ATOM 3584 C CE . LYS B 1 3 ? 27.980 -7.618 2.270 1.00 0.00 ? 3 LYS B CE 3 ATOM 3585 N NZ . LYS B 1 3 ? 27.822 -8.022 3.695 1.00 0.00 ? 3 LYS B NZ 3 ATOM 3586 H H . LYS B 1 3 ? 29.403 -6.793 -1.818 1.00 0.00 ? 3 LYS B H 3 ATOM 3587 H HA . LYS B 1 3 ? 27.081 -7.455 -0.169 1.00 0.00 ? 3 LYS B HA 3 ATOM 3588 H HB2 . LYS B 1 3 ? 28.876 -5.269 -0.260 1.00 0.00 ? 3 LYS B HB2 3 ATOM 3589 H HB3 . LYS B 1 3 ? 27.300 -4.651 -0.735 1.00 0.00 ? 3 LYS B HB3 3 ATOM 3590 H HG2 . LYS B 1 3 ? 27.350 -4.368 1.571 1.00 0.00 ? 3 LYS B HG2 3 ATOM 3591 H HG3 . LYS B 1 3 ? 26.410 -5.845 1.346 1.00 0.00 ? 3 LYS B HG3 3 ATOM 3592 H HD2 . LYS B 1 3 ? 29.353 -6.091 1.702 1.00 0.00 ? 3 LYS B HD2 3 ATOM 3593 H HD3 . LYS B 1 3 ? 28.372 -5.700 3.116 1.00 0.00 ? 3 LYS B HD3 3 ATOM 3594 H HE2 . LYS B 1 3 ? 27.045 -7.778 1.754 1.00 0.00 ? 3 LYS B HE2 3 ATOM 3595 H HE3 . LYS B 1 3 ? 28.749 -8.223 1.816 1.00 0.00 ? 3 LYS B HE3 3 ATOM 3596 H HZ1 . LYS B 1 3 ? 28.048 -7.223 4.321 1.00 0.00 ? 3 LYS B HZ1 3 ATOM 3597 H HZ2 . LYS B 1 3 ? 26.841 -8.321 3.875 1.00 0.00 ? 3 LYS B HZ2 3 ATOM 3598 H HZ3 . LYS B 1 3 ? 28.460 -8.813 3.914 1.00 0.00 ? 3 LYS B HZ3 3 ATOM 3599 N N . LYS B 1 4 ? 26.556 -7.380 -3.048 1.00 0.00 ? 4 LYS B N 3 ATOM 3600 C CA . LYS B 1 4 ? 25.638 -7.279 -4.176 1.00 0.00 ? 4 LYS B CA 3 ATOM 3601 C C . LYS B 1 4 ? 24.215 -7.623 -3.751 1.00 0.00 ? 4 LYS B C 3 ATOM 3602 O O . LYS B 1 4 ? 23.248 -7.087 -4.293 1.00 0.00 ? 4 LYS B O 3 ATOM 3603 C CB . LYS B 1 4 ? 26.083 -8.206 -5.309 1.00 0.00 ? 4 LYS B CB 3 ATOM 3604 C CG . LYS B 1 4 ? 25.968 -9.682 -4.966 1.00 0.00 ? 4 LYS B CG 3 ATOM 3605 C CD . LYS B 1 4 ? 24.869 -10.357 -5.771 1.00 0.00 ? 4 LYS B CD 3 ATOM 3606 C CE . LYS B 1 4 ? 23.669 -10.695 -4.900 1.00 0.00 ? 4 LYS B CE 3 ATOM 3607 N NZ . LYS B 1 4 ? 22.888 -11.837 -5.451 1.00 0.00 ? 4 LYS B NZ 3 ATOM 3608 H H . LYS B 1 4 ? 27.250 -8.072 -3.057 1.00 0.00 ? 4 LYS B H 3 ATOM 3609 H HA . LYS B 1 4 ? 25.659 -6.258 -4.530 1.00 0.00 ? 4 LYS B HA 3 ATOM 3610 H HB2 . LYS B 1 4 ? 25.473 -8.012 -6.179 1.00 0.00 ? 4 LYS B HB2 3 ATOM 3611 H HB3 . LYS B 1 4 ? 27.114 -7.994 -5.548 1.00 0.00 ? 4 LYS B HB3 3 ATOM 3612 H HG2 . LYS B 1 4 ? 26.907 -10.167 -5.184 1.00 0.00 ? 4 LYS B HG2 3 ATOM 3613 H HG3 . LYS B 1 4 ? 25.745 -9.782 -3.914 1.00 0.00 ? 4 LYS B HG3 3 ATOM 3614 H HD2 . LYS B 1 4 ? 24.551 -9.690 -6.558 1.00 0.00 ? 4 LYS B HD2 3 ATOM 3615 H HD3 . LYS B 1 4 ? 25.258 -11.267 -6.202 1.00 0.00 ? 4 LYS B HD3 3 ATOM 3616 H HE2 . LYS B 1 4 ? 24.019 -10.954 -3.912 1.00 0.00 ? 4 LYS B HE2 3 ATOM 3617 H HE3 . LYS B 1 4 ? 23.029 -9.828 -4.839 1.00 0.00 ? 4 LYS B HE3 3 ATOM 3618 H HZ1 . LYS B 1 4 ? 23.146 -12.001 -6.446 1.00 0.00 ? 4 LYS B HZ1 3 ATOM 3619 H HZ2 . LYS B 1 4 ? 23.086 -12.701 -4.906 1.00 0.00 ? 4 LYS B HZ2 3 ATOM 3620 H HZ3 . LYS B 1 4 ? 21.870 -11.633 -5.397 1.00 0.00 ? 4 LYS B HZ3 3 ATOM 3621 N N . HIS B 1 5 ? 24.094 -8.520 -2.779 1.00 0.00 ? 5 HIS B N 3 ATOM 3622 C CA . HIS B 1 5 ? 22.788 -8.935 -2.280 1.00 0.00 ? 5 HIS B CA 3 ATOM 3623 C C . HIS B 1 5 ? 22.013 -7.743 -1.727 1.00 0.00 ? 5 HIS B C 3 ATOM 3624 O O . HIS B 1 5 ? 20.786 -7.698 -1.802 1.00 0.00 ? 5 HIS B O 3 ATOM 3625 C CB . HIS B 1 5 ? 22.947 -10.003 -1.196 1.00 0.00 ? 5 HIS B CB 3 ATOM 3626 C CG . HIS B 1 5 ? 23.880 -9.603 -0.096 1.00 0.00 ? 5 HIS B CG 3 ATOM 3627 N ND1 . HIS B 1 5 ? 25.040 -10.292 0.196 1.00 0.00 ? 5 HIS B ND1 3 ATOM 3628 C CD2 . HIS B 1 5 ? 23.822 -8.577 0.787 1.00 0.00 ? 5 HIS B CD2 3 ATOM 3629 C CE1 . HIS B 1 5 ? 25.653 -9.708 1.210 1.00 0.00 ? 5 HIS B CE1 3 ATOM 3630 N NE2 . HIS B 1 5 ? 24.935 -8.666 1.586 1.00 0.00 ? 5 HIS B NE2 3 ATOM 3631 H H . HIS B 1 5 ? 24.901 -8.912 -2.386 1.00 0.00 ? 5 HIS B H 3 ATOM 3632 H HA . HIS B 1 5 ? 22.235 -9.355 -3.108 1.00 0.00 ? 5 HIS B HA 3 ATOM 3633 H HB2 . HIS B 1 5 ? 21.983 -10.206 -0.755 1.00 0.00 ? 5 HIS B HB2 3 ATOM 3634 H HB3 . HIS B 1 5 ? 23.329 -10.907 -1.646 1.00 0.00 ? 5 HIS B HB3 3 ATOM 3635 H HD1 . HIS B 1 5 ? 25.364 -11.090 -0.271 1.00 0.00 ? 5 HIS B HD1 3 ATOM 3636 H HD2 . HIS B 1 5 ? 23.045 -7.829 0.849 1.00 0.00 ? 5 HIS B HD2 3 ATOM 3637 H HE1 . HIS B 1 5 ? 26.584 -10.028 1.655 1.00 0.00 ? 5 HIS B HE1 3 ATOM 3638 H HE2 . HIS B 1 5 ? 25.162 -8.056 2.318 1.00 0.00 ? 5 HIS B HE2 3 ATOM 3639 N N . HIS B 1 6 ? 22.740 -6.780 -1.170 1.00 0.00 ? 6 HIS B N 3 ATOM 3640 C CA . HIS B 1 6 ? 22.121 -5.587 -0.604 1.00 0.00 ? 6 HIS B CA 3 ATOM 3641 C C . HIS B 1 6 ? 21.437 -4.762 -1.689 1.00 0.00 ? 6 HIS B C 3 ATOM 3642 O O . HIS B 1 6 ? 20.241 -4.487 -1.609 1.00 0.00 ? 6 HIS B O 3 ATOM 3643 C CB . HIS B 1 6 ? 23.169 -4.735 0.117 1.00 0.00 ? 6 HIS B CB 3 ATOM 3644 C CG . HIS B 1 6 ? 22.926 -4.607 1.588 1.00 0.00 ? 6 HIS B CG 3 ATOM 3645 N ND1 . HIS B 1 6 ? 22.393 -5.623 2.355 1.00 0.00 ? 6 HIS B ND1 3 ATOM 3646 C CD2 . HIS B 1 6 ? 23.146 -3.575 2.436 1.00 0.00 ? 6 HIS B CD2 3 ATOM 3647 C CE1 . HIS B 1 6 ? 22.296 -5.220 3.610 1.00 0.00 ? 6 HIS B CE1 3 ATOM 3648 N NE2 . HIS B 1 6 ? 22.747 -3.982 3.685 1.00 0.00 ? 6 HIS B NE2 3 ATOM 3649 H H . HIS B 1 6 ? 23.715 -6.873 -1.140 1.00 0.00 ? 6 HIS B H 3 ATOM 3650 H HA . HIS B 1 6 ? 21.377 -5.907 0.110 1.00 0.00 ? 6 HIS B HA 3 ATOM 3651 H HB2 . HIS B 1 6 ? 24.142 -5.182 -0.022 1.00 0.00 ? 6 HIS B HB2 3 ATOM 3652 H HB3 . HIS B 1 6 ? 23.170 -3.743 -0.309 1.00 0.00 ? 6 HIS B HB3 3 ATOM 3653 H HD1 . HIS B 1 6 ? 22.127 -6.508 2.028 1.00 0.00 ? 6 HIS B HD1 3 ATOM 3654 H HD2 . HIS B 1 6 ? 23.559 -2.610 2.178 1.00 0.00 ? 6 HIS B HD2 3 ATOM 3655 H HE1 . HIS B 1 6 ? 21.914 -5.805 4.434 1.00 0.00 ? 6 HIS B HE1 3 ATOM 3656 H HE2 . HIS B 1 6 ? 22.788 -3.442 4.502 1.00 0.00 ? 6 HIS B HE2 3 ATOM 3657 N N . GLU B 1 7 ? 22.202 -4.374 -2.704 1.00 0.00 ? 7 GLU B N 3 ATOM 3658 C CA . GLU B 1 7 ? 21.665 -3.584 -3.805 1.00 0.00 ? 7 GLU B CA 3 ATOM 3659 C C . GLU B 1 7 ? 20.408 -4.233 -4.373 1.00 0.00 ? 7 GLU B C 3 ATOM 3660 O O . GLU B 1 7 ? 19.555 -3.558 -4.950 1.00 0.00 ? 7 GLU B O 3 ATOM 3661 C CB . GLU B 1 7 ? 22.714 -3.423 -4.907 1.00 0.00 ? 7 GLU B CB 3 ATOM 3662 C CG . GLU B 1 7 ? 22.200 -2.684 -6.132 1.00 0.00 ? 7 GLU B CG 3 ATOM 3663 C CD . GLU B 1 7 ? 21.838 -3.621 -7.268 1.00 0.00 ? 7 GLU B CD 3 ATOM 3664 O OE1 . GLU B 1 7 ? 21.150 -4.631 -7.007 1.00 0.00 ? 7 GLU B OE1 3 ATOM 3665 O OE2 . GLU B 1 7 ? 22.240 -3.344 -8.418 1.00 0.00 ? 7 GLU B OE2 3 ATOM 3666 H H . GLU B 1 7 ? 23.149 -4.626 -2.713 1.00 0.00 ? 7 GLU B H 3 ATOM 3667 H HA . GLU B 1 7 ? 21.408 -2.609 -3.419 1.00 0.00 ? 7 GLU B HA 3 ATOM 3668 H HB2 . GLU B 1 7 ? 23.556 -2.876 -4.510 1.00 0.00 ? 7 GLU B HB2 3 ATOM 3669 H HB3 . GLU B 1 7 ? 23.045 -4.403 -5.217 1.00 0.00 ? 7 GLU B HB3 3 ATOM 3670 H HG2 . GLU B 1 7 ? 21.322 -2.121 -5.855 1.00 0.00 ? 7 GLU B HG2 3 ATOM 3671 H HG3 . GLU B 1 7 ? 22.969 -2.006 -6.475 1.00 0.00 ? 7 GLU B HG3 3 ATOM 3672 N N . ASN B 1 8 ? 20.295 -5.546 -4.199 1.00 0.00 ? 8 ASN B N 3 ATOM 3673 C CA . ASN B 1 8 ? 19.137 -6.283 -4.689 1.00 0.00 ? 8 ASN B CA 3 ATOM 3674 C C . ASN B 1 8 ? 17.905 -5.946 -3.861 1.00 0.00 ? 8 ASN B C 3 ATOM 3675 O O . ASN B 1 8 ? 16.909 -5.449 -4.388 1.00 0.00 ? 8 ASN B O 3 ATOM 3676 C CB . ASN B 1 8 ? 19.404 -7.789 -4.644 1.00 0.00 ? 8 ASN B CB 3 ATOM 3677 C CG . ASN B 1 8 ? 19.699 -8.366 -6.014 1.00 0.00 ? 8 ASN B CG 3 ATOM 3678 O OD1 . ASN B 1 8 ? 20.144 -7.656 -6.916 1.00 0.00 ? 8 ASN B OD1 3 ATOM 3679 N ND2 . ASN B 1 8 ? 19.451 -9.660 -6.178 1.00 0.00 ? 8 ASN B ND2 3 ATOM 3680 H H . ASN B 1 8 ? 21.004 -6.028 -3.726 1.00 0.00 ? 8 ASN B H 3 ATOM 3681 H HA . ASN B 1 8 ? 18.961 -5.985 -5.711 1.00 0.00 ? 8 ASN B HA 3 ATOM 3682 H HB2 . ASN B 1 8 ? 20.253 -7.980 -4.004 1.00 0.00 ? 8 ASN B HB2 3 ATOM 3683 H HB3 . ASN B 1 8 ? 18.535 -8.291 -4.242 1.00 0.00 ? 8 ASN B HB3 3 ATOM 3684 H HD21 . ASN B 1 8 ? 19.097 -10.163 -5.416 1.00 0.00 ? 8 ASN B HD21 3 ATOM 3685 H HD22 . ASN B 1 8 ? 19.633 -10.059 -7.055 1.00 0.00 ? 8 ASN B HD22 3 ATOM 3686 N N . GLU B 1 9 ? 17.983 -6.201 -2.560 1.00 0.00 ? 9 GLU B N 3 ATOM 3687 C CA . GLU B 1 9 ? 16.875 -5.904 -1.661 1.00 0.00 ? 9 GLU B CA 3 ATOM 3688 C C . GLU B 1 9 ? 16.502 -4.427 -1.748 1.00 0.00 ? 9 GLU B C 3 ATOM 3689 O O . GLU B 1 9 ? 15.390 -4.037 -1.392 1.00 0.00 ? 9 GLU B O 3 ATOM 3690 C CB . GLU B 1 9 ? 17.245 -6.266 -0.222 1.00 0.00 ? 9 GLU B CB 3 ATOM 3691 C CG . GLU B 1 9 ? 16.812 -7.664 0.188 1.00 0.00 ? 9 GLU B CG 3 ATOM 3692 C CD . GLU B 1 9 ? 15.354 -7.940 -0.127 1.00 0.00 ? 9 GLU B CD 3 ATOM 3693 O OE1 . GLU B 1 9 ? 15.060 -8.335 -1.275 1.00 0.00 ? 9 GLU B OE1 3 ATOM 3694 O OE2 . GLU B 1 9 ? 14.508 -7.762 0.774 1.00 0.00 ? 9 GLU B OE2 3 ATOM 3695 H H . GLU B 1 9 ? 18.808 -6.586 -2.195 1.00 0.00 ? 9 GLU B H 3 ATOM 3696 H HA . GLU B 1 9 ? 16.029 -6.498 -1.970 1.00 0.00 ? 9 GLU B HA 3 ATOM 3697 H HB2 . GLU B 1 9 ? 18.317 -6.198 -0.109 1.00 0.00 ? 9 GLU B HB2 3 ATOM 3698 H HB3 . GLU B 1 9 ? 16.777 -5.557 0.446 1.00 0.00 ? 9 GLU B HB3 3 ATOM 3699 H HG2 . GLU B 1 9 ? 17.420 -8.384 -0.338 1.00 0.00 ? 9 GLU B HG2 3 ATOM 3700 H HG3 . GLU B 1 9 ? 16.963 -7.775 1.251 1.00 0.00 ? 9 GLU B HG3 3 ATOM 3701 N N . ILE B 1 10 ? 17.440 -3.610 -2.221 1.00 0.00 ? 10 ILE B N 3 ATOM 3702 C CA . ILE B 1 10 ? 17.217 -2.179 -2.356 1.00 0.00 ? 10 ILE B CA 3 ATOM 3703 C C . ILE B 1 10 ? 16.237 -1.890 -3.501 1.00 0.00 ? 10 ILE B C 3 ATOM 3704 O O . ILE B 1 10 ? 15.249 -1.179 -3.322 1.00 0.00 ? 10 ILE B O 3 ATOM 3705 C CB . ILE B 1 10 ? 18.583 -1.436 -2.547 1.00 0.00 ? 10 ILE B CB 3 ATOM 3706 C CG1 . ILE B 1 10 ? 18.785 -0.411 -1.432 1.00 0.00 ? 10 ILE B CG1 3 ATOM 3707 C CG2 . ILE B 1 10 ? 18.731 -0.764 -3.915 1.00 0.00 ? 10 ILE B CG2 3 ATOM 3708 C CD1 . ILE B 1 10 ? 20.136 -0.523 -0.758 1.00 0.00 ? 10 ILE B CD1 3 ATOM 3709 H H . ILE B 1 10 ? 18.307 -3.978 -2.487 1.00 0.00 ? 10 ILE B H 3 ATOM 3710 H HA . ILE B 1 10 ? 16.774 -1.832 -1.434 1.00 0.00 ? 10 ILE B HA 3 ATOM 3711 H HB . ILE B 1 10 ? 19.365 -2.176 -2.469 1.00 0.00 ? 10 ILE B HB 3 ATOM 3712 H HG12 . ILE B 1 10 ? 18.700 0.583 -1.844 1.00 0.00 ? 10 ILE B HG12 3 ATOM 3713 H HG13 . ILE B 1 10 ? 18.024 -0.552 -0.678 1.00 0.00 ? 10 ILE B HG13 3 ATOM 3714 H HG21 . ILE B 1 10 ? 18.613 -1.502 -4.694 1.00 0.00 ? 10 ILE B HG21 3 ATOM 3715 H HG22 . ILE B 1 10 ? 17.974 -0.001 -4.025 1.00 0.00 ? 10 ILE B HG22 3 ATOM 3716 H HG23 . ILE B 1 10 ? 19.710 -0.315 -3.991 1.00 0.00 ? 10 ILE B HG23 3 ATOM 3717 H HD11 . ILE B 1 10 ? 20.721 -1.287 -1.249 1.00 0.00 ? 10 ILE B HD11 3 ATOM 3718 H HD12 . ILE B 1 10 ? 20.651 0.424 -0.825 1.00 0.00 ? 10 ILE B HD12 3 ATOM 3719 H HD13 . ILE B 1 10 ? 19.999 -0.786 0.281 1.00 0.00 ? 10 ILE B HD13 3 ATOM 3720 N N . SER B 1 11 ? 16.526 -2.448 -4.673 1.00 0.00 ? 11 SER B N 3 ATOM 3721 C CA . SER B 1 11 ? 15.680 -2.251 -5.842 1.00 0.00 ? 11 SER B CA 3 ATOM 3722 C C . SER B 1 11 ? 14.288 -2.834 -5.616 1.00 0.00 ? 11 SER B C 3 ATOM 3723 O O . SER B 1 11 ? 13.309 -2.378 -6.208 1.00 0.00 ? 11 SER B O 3 ATOM 3724 C CB . SER B 1 11 ? 16.319 -2.893 -7.075 1.00 0.00 ? 11 SER B CB 3 ATOM 3725 O OG . SER B 1 11 ? 15.837 -2.299 -8.268 1.00 0.00 ? 11 SER B OG 3 ATOM 3726 H H . SER B 1 11 ? 17.330 -3.005 -4.752 1.00 0.00 ? 11 SER B H 3 ATOM 3727 H HA . SER B 1 11 ? 15.588 -1.188 -6.009 1.00 0.00 ? 11 SER B HA 3 ATOM 3728 H HB2 . SER B 1 11 ? 17.390 -2.763 -7.031 1.00 0.00 ? 11 SER B HB2 3 ATOM 3729 H HB3 . SER B 1 11 ? 16.085 -3.947 -7.091 1.00 0.00 ? 11 SER B HB3 3 ATOM 3730 H HG . SER B 1 11 ? 15.942 -2.914 -8.997 1.00 0.00 ? 11 SER B HG 3 ATOM 3731 N N . HIS B 1 12 ? 14.207 -3.844 -4.757 1.00 0.00 ? 12 HIS B N 3 ATOM 3732 C CA . HIS B 1 12 ? 12.934 -4.486 -4.459 1.00 0.00 ? 12 HIS B CA 3 ATOM 3733 C C . HIS B 1 12 ? 12.085 -3.593 -3.549 1.00 0.00 ? 12 HIS B C 3 ATOM 3734 O O . HIS B 1 12 ? 10.885 -3.434 -3.770 1.00 0.00 ? 12 HIS B O 3 ATOM 3735 C CB . HIS B 1 12 ? 13.189 -5.888 -3.854 1.00 0.00 ? 12 HIS B CB 3 ATOM 3736 C CG . HIS B 1 12 ? 12.450 -6.201 -2.582 1.00 0.00 ? 12 HIS B CG 3 ATOM 3737 N ND1 . HIS B 1 12 ? 11.099 -6.478 -2.541 1.00 0.00 ? 12 HIS B ND1 3 ATOM 3738 C CD2 . HIS B 1 12 ? 12.889 -6.281 -1.306 1.00 0.00 ? 12 HIS B CD2 3 ATOM 3739 C CE1 . HIS B 1 12 ? 10.740 -6.714 -1.291 1.00 0.00 ? 12 HIS B CE1 3 ATOM 3740 N NE2 . HIS B 1 12 ? 11.807 -6.601 -0.524 1.00 0.00 ? 12 HIS B NE2 3 ATOM 3741 H H . HIS B 1 12 ? 15.020 -4.167 -4.314 1.00 0.00 ? 12 HIS B H 3 ATOM 3742 H HA . HIS B 1 12 ? 12.409 -4.605 -5.396 1.00 0.00 ? 12 HIS B HA 3 ATOM 3743 H HB2 . HIS B 1 12 ? 12.905 -6.633 -4.580 1.00 0.00 ? 12 HIS B HB2 3 ATOM 3744 H HB3 . HIS B 1 12 ? 14.246 -5.988 -3.652 1.00 0.00 ? 12 HIS B HB3 3 ATOM 3745 H HD1 . HIS B 1 12 ? 10.495 -6.499 -3.311 1.00 0.00 ? 12 HIS B HD1 3 ATOM 3746 H HD2 . HIS B 1 12 ? 13.903 -6.121 -0.967 1.00 0.00 ? 12 HIS B HD2 3 ATOM 3747 H HE1 . HIS B 1 12 ? 9.742 -6.959 -0.956 1.00 0.00 ? 12 HIS B HE1 3 ATOM 3748 H HE2 . HIS B 1 12 ? 11.822 -6.725 0.448 1.00 0.00 ? 12 HIS B HE2 3 ATOM 3749 N N . HIS B 1 13 ? 12.713 -3.003 -2.535 1.00 0.00 ? 13 HIS B N 3 ATOM 3750 C CA . HIS B 1 13 ? 12.000 -2.123 -1.617 1.00 0.00 ? 13 HIS B CA 3 ATOM 3751 C C . HIS B 1 13 ? 11.510 -0.880 -2.349 1.00 0.00 ? 13 HIS B C 3 ATOM 3752 O O . HIS B 1 13 ? 10.531 -0.256 -1.943 1.00 0.00 ? 13 HIS B O 3 ATOM 3753 C CB . HIS B 1 13 ? 12.893 -1.706 -0.448 1.00 0.00 ? 13 HIS B CB 3 ATOM 3754 C CG . HIS B 1 13 ? 13.521 -2.847 0.282 1.00 0.00 ? 13 HIS B CG 3 ATOM 3755 N ND1 . HIS B 1 13 ? 12.932 -4.087 0.407 1.00 0.00 ? 13 HIS B ND1 3 ATOM 3756 C CD2 . HIS B 1 13 ? 14.699 -2.923 0.941 1.00 0.00 ? 13 HIS B CD2 3 ATOM 3757 C CE1 . HIS B 1 13 ? 13.722 -4.877 1.116 1.00 0.00 ? 13 HIS B CE1 3 ATOM 3758 N NE2 . HIS B 1 13 ? 14.800 -4.193 1.450 1.00 0.00 ? 13 HIS B NE2 3 ATOM 3759 H H . HIS B 1 13 ? 13.673 -3.156 -2.408 1.00 0.00 ? 13 HIS B H 3 ATOM 3760 H HA . HIS B 1 13 ? 11.146 -2.664 -1.235 1.00 0.00 ? 13 HIS B HA 3 ATOM 3761 H HB2 . HIS B 1 13 ? 13.686 -1.076 -0.818 1.00 0.00 ? 13 HIS B HB2 3 ATOM 3762 H HB3 . HIS B 1 13 ? 12.298 -1.147 0.261 1.00 0.00 ? 13 HIS B HB3 3 ATOM 3763 H HD1 . HIS B 1 13 ? 12.065 -4.350 0.035 1.00 0.00 ? 13 HIS B HD1 3 ATOM 3764 H HD2 . HIS B 1 13 ? 15.422 -2.127 1.049 1.00 0.00 ? 13 HIS B HD2 3 ATOM 3765 H HE1 . HIS B 1 13 ? 13.518 -5.905 1.376 1.00 0.00 ? 13 HIS B HE1 3 ATOM 3766 H HE2 . HIS B 1 13 ? 15.550 -4.541 1.978 1.00 0.00 ? 13 HIS B HE2 3 ATOM 3767 N N . ALA B 1 14 ? 12.198 -0.526 -3.432 1.00 0.00 ? 14 ALA B N 3 ATOM 3768 C CA . ALA B 1 14 ? 11.829 0.640 -4.221 1.00 0.00 ? 14 ALA B CA 3 ATOM 3769 C C . ALA B 1 14 ? 10.538 0.380 -4.981 1.00 0.00 ? 14 ALA B C 3 ATOM 3770 O O . ALA B 1 14 ? 9.574 1.137 -4.867 1.00 0.00 ? 14 ALA B O 3 ATOM 3771 C CB . ALA B 1 14 ? 12.950 1.007 -5.183 1.00 0.00 ? 14 ALA B CB 3 ATOM 3772 H H . ALA B 1 14 ? 12.970 -1.063 -3.705 1.00 0.00 ? 14 ALA B H 3 ATOM 3773 H HA . ALA B 1 14 ? 11.678 1.469 -3.545 1.00 0.00 ? 14 ALA B HA 3 ATOM 3774 H HB1 . ALA B 1 14 ? 13.877 0.573 -4.838 1.00 0.00 ? 14 ALA B HB1 3 ATOM 3775 H HB2 . ALA B 1 14 ? 12.719 0.625 -6.167 1.00 0.00 ? 14 ALA B HB2 3 ATOM 3776 H HB3 . ALA B 1 14 ? 13.049 2.081 -5.228 1.00 0.00 ? 14 ALA B HB3 3 ATOM 3777 N N . LYS B 1 15 ? 10.520 -0.707 -5.743 1.00 0.00 ? 15 LYS B N 3 ATOM 3778 C CA . LYS B 1 15 ? 9.339 -1.079 -6.506 1.00 0.00 ? 15 LYS B CA 3 ATOM 3779 C C . LYS B 1 15 ? 8.213 -1.524 -5.573 1.00 0.00 ? 15 LYS B C 3 ATOM 3780 O O . LYS B 1 15 ? 7.055 -1.606 -5.981 1.00 0.00 ? 15 LYS B O 3 ATOM 3781 C CB . LYS B 1 15 ? 9.672 -2.198 -7.494 1.00 0.00 ? 15 LYS B CB 3 ATOM 3782 C CG . LYS B 1 15 ? 9.607 -1.764 -8.949 1.00 0.00 ? 15 LYS B CG 3 ATOM 3783 C CD . LYS B 1 15 ? 10.520 -0.579 -9.218 1.00 0.00 ? 15 LYS B CD 3 ATOM 3784 C CE . LYS B 1 15 ? 10.237 0.046 -10.575 1.00 0.00 ? 15 LYS B CE 3 ATOM 3785 N NZ . LYS B 1 15 ? 11.474 0.183 -11.393 1.00 0.00 ? 15 LYS B NZ 3 ATOM 3786 H H . LYS B 1 15 ? 11.318 -1.280 -5.784 1.00 0.00 ? 15 LYS B H 3 ATOM 3787 H HA . LYS B 1 15 ? 9.011 -0.209 -7.056 1.00 0.00 ? 15 LYS B HA 3 ATOM 3788 H HB2 . LYS B 1 15 ? 10.671 -2.556 -7.293 1.00 0.00 ? 15 LYS B HB2 3 ATOM 3789 H HB3 . LYS B 1 15 ? 8.974 -3.009 -7.352 1.00 0.00 ? 15 LYS B HB3 3 ATOM 3790 H HG2 . LYS B 1 15 ? 9.912 -2.589 -9.575 1.00 0.00 ? 15 LYS B HG2 3 ATOM 3791 H HG3 . LYS B 1 15 ? 8.590 -1.485 -9.186 1.00 0.00 ? 15 LYS B HG3 3 ATOM 3792 H HD2 . LYS B 1 15 ? 10.364 0.165 -8.451 1.00 0.00 ? 15 LYS B HD2 3 ATOM 3793 H HD3 . LYS B 1 15 ? 11.546 -0.914 -9.193 1.00 0.00 ? 15 LYS B HD3 3 ATOM 3794 H HE2 . LYS B 1 15 ? 9.533 -0.578 -11.104 1.00 0.00 ? 15 LYS B HE2 3 ATOM 3795 H HE3 . LYS B 1 15 ? 9.806 1.025 -10.423 1.00 0.00 ? 15 LYS B HE3 3 ATOM 3796 H HZ1 . LYS B 1 15 ? 11.912 -0.749 -11.537 1.00 0.00 ? 15 LYS B HZ1 3 ATOM 3797 H HZ2 . LYS B 1 15 ? 11.245 0.593 -12.320 1.00 0.00 ? 15 LYS B HZ2 3 ATOM 3798 H HZ3 . LYS B 1 15 ? 12.155 0.804 -10.911 1.00 0.00 ? 15 LYS B HZ3 3 ATOM 3799 N N . GLU B 1 16 ? 8.560 -1.812 -4.317 1.00 0.00 ? 16 GLU B N 3 ATOM 3800 C CA . GLU B 1 16 ? 7.576 -2.246 -3.336 1.00 0.00 ? 16 GLU B CA 3 ATOM 3801 C C . GLU B 1 16 ? 6.878 -1.050 -2.696 1.00 0.00 ? 16 GLU B C 3 ATOM 3802 O O . GLU B 1 16 ? 5.694 -1.116 -2.377 1.00 0.00 ? 16 GLU B O 3 ATOM 3803 C CB . GLU B 1 16 ? 8.242 -3.102 -2.257 1.00 0.00 ? 16 GLU B CB 3 ATOM 3804 C CG . GLU B 1 16 ? 8.141 -4.596 -2.519 1.00 0.00 ? 16 GLU B CG 3 ATOM 3805 C CD . GLU B 1 16 ? 6.719 -5.047 -2.789 1.00 0.00 ? 16 GLU B CD 3 ATOM 3806 O OE1 . GLU B 1 16 ? 5.782 -4.363 -2.327 1.00 0.00 ? 16 GLU B OE1 3 ATOM 3807 O OE2 . GLU B 1 16 ? 6.542 -6.083 -3.465 1.00 0.00 ? 16 GLU B OE2 3 ATOM 3808 H H . GLU B 1 16 ? 9.496 -1.732 -4.045 1.00 0.00 ? 16 GLU B H 3 ATOM 3809 H HA . GLU B 1 16 ? 6.837 -2.841 -3.851 1.00 0.00 ? 16 GLU B HA 3 ATOM 3810 H HB2 . GLU B 1 16 ? 9.286 -2.838 -2.197 1.00 0.00 ? 16 GLU B HB2 3 ATOM 3811 H HB3 . GLU B 1 16 ? 7.772 -2.894 -1.307 1.00 0.00 ? 16 GLU B HB3 3 ATOM 3812 H HG2 . GLU B 1 16 ? 8.748 -4.840 -3.378 1.00 0.00 ? 16 GLU B HG2 3 ATOM 3813 H HG3 . GLU B 1 16 ? 8.513 -5.126 -1.655 1.00 0.00 ? 16 GLU B HG3 3 ATOM 3814 N N . ILE B 1 17 ? 7.614 0.044 -2.513 1.00 0.00 ? 17 ILE B N 3 ATOM 3815 C CA . ILE B 1 17 ? 7.043 1.246 -1.917 1.00 0.00 ? 17 ILE B CA 3 ATOM 3816 C C . ILE B 1 17 ? 6.190 1.992 -2.935 1.00 0.00 ? 17 ILE B C 3 ATOM 3817 O O . ILE B 1 17 ? 5.157 2.568 -2.593 1.00 0.00 ? 17 ILE B O 3 ATOM 3818 C CB . ILE B 1 17 ? 8.140 2.183 -1.367 1.00 0.00 ? 17 ILE B CB 3 ATOM 3819 C CG1 . ILE B 1 17 ? 7.519 3.462 -0.787 1.00 0.00 ? 17 ILE B CG1 3 ATOM 3820 C CG2 . ILE B 1 17 ? 9.158 2.511 -2.452 1.00 0.00 ? 17 ILE B CG2 3 ATOM 3821 C CD1 . ILE B 1 17 ? 7.152 4.506 -1.824 1.00 0.00 ? 17 ILE B CD1 3 ATOM 3822 H H . ILE B 1 17 ? 8.558 0.045 -2.789 1.00 0.00 ? 17 ILE B H 3 ATOM 3823 H HA . ILE B 1 17 ? 6.410 0.943 -1.093 1.00 0.00 ? 17 ILE B HA 3 ATOM 3824 H HB . ILE B 1 17 ? 8.657 1.659 -0.578 1.00 0.00 ? 17 ILE B HB 3 ATOM 3825 H HG12 . ILE B 1 17 ? 6.618 3.203 -0.251 1.00 0.00 ? 17 ILE B HG12 3 ATOM 3826 H HG13 . ILE B 1 17 ? 8.221 3.912 -0.099 1.00 0.00 ? 17 ILE B HG13 3 ATOM 3827 H HG21 . ILE B 1 17 ? 8.647 2.890 -3.324 1.00 0.00 ? 17 ILE B HG21 3 ATOM 3828 H HG22 . ILE B 1 17 ? 9.847 3.258 -2.084 1.00 0.00 ? 17 ILE B HG22 3 ATOM 3829 H HG23 . ILE B 1 17 ? 9.704 1.617 -2.714 1.00 0.00 ? 17 ILE B HG23 3 ATOM 3830 H HD11 . ILE B 1 17 ? 7.367 4.123 -2.811 1.00 0.00 ? 17 ILE B HD11 3 ATOM 3831 H HD12 . ILE B 1 17 ? 6.098 4.734 -1.748 1.00 0.00 ? 17 ILE B HD12 3 ATOM 3832 H HD13 . ILE B 1 17 ? 7.728 5.403 -1.653 1.00 0.00 ? 17 ILE B HD13 3 ATOM 3833 N N . GLU B 1 18 ? 6.621 1.965 -4.191 1.00 0.00 ? 18 GLU B N 3 ATOM 3834 C CA . GLU B 1 18 ? 5.888 2.629 -5.261 1.00 0.00 ? 18 GLU B CA 3 ATOM 3835 C C . GLU B 1 18 ? 4.700 1.779 -5.695 1.00 0.00 ? 18 GLU B C 3 ATOM 3836 O O . GLU B 1 18 ? 3.619 2.298 -5.973 1.00 0.00 ? 18 GLU B O 3 ATOM 3837 C CB . GLU B 1 18 ? 6.808 2.893 -6.455 1.00 0.00 ? 18 GLU B CB 3 ATOM 3838 C CG . GLU B 1 18 ? 6.933 4.365 -6.813 1.00 0.00 ? 18 GLU B CG 3 ATOM 3839 C CD . GLU B 1 18 ? 7.758 5.142 -5.805 1.00 0.00 ? 18 GLU B CD 3 ATOM 3840 O OE1 . GLU B 1 18 ? 8.632 4.531 -5.156 1.00 0.00 ? 18 GLU B OE1 3 ATOM 3841 O OE2 . GLU B 1 18 ? 7.528 6.361 -5.664 1.00 0.00 ? 18 GLU B OE2 3 ATOM 3842 H H . GLU B 1 18 ? 7.447 1.480 -4.405 1.00 0.00 ? 18 GLU B H 3 ATOM 3843 H HA . GLU B 1 18 ? 5.524 3.571 -4.880 1.00 0.00 ? 18 GLU B HA 3 ATOM 3844 H HB2 . GLU B 1 18 ? 7.794 2.516 -6.226 1.00 0.00 ? 18 GLU B HB2 3 ATOM 3845 H HB3 . GLU B 1 18 ? 6.423 2.366 -7.315 1.00 0.00 ? 18 GLU B HB3 3 ATOM 3846 H HG2 . GLU B 1 18 ? 7.404 4.449 -7.781 1.00 0.00 ? 18 GLU B HG2 3 ATOM 3847 H HG3 . GLU B 1 18 ? 5.944 4.796 -6.856 1.00 0.00 ? 18 GLU B HG3 3 ATOM 3848 N N . ARG B 1 19 ? 4.906 0.465 -5.739 1.00 0.00 ? 19 ARG B N 3 ATOM 3849 C CA . ARG B 1 19 ? 3.849 -0.457 -6.128 1.00 0.00 ? 19 ARG B CA 3 ATOM 3850 C C . ARG B 1 19 ? 2.826 -0.595 -5.010 1.00 0.00 ? 19 ARG B C 3 ATOM 3851 O O . ARG B 1 19 ? 1.654 -0.880 -5.256 1.00 0.00 ? 19 ARG B O 3 ATOM 3852 C CB . ARG B 1 19 ? 4.435 -1.827 -6.476 1.00 0.00 ? 19 ARG B CB 3 ATOM 3853 C CG . ARG B 1 19 ? 3.419 -2.792 -7.065 1.00 0.00 ? 19 ARG B CG 3 ATOM 3854 C CD . ARG B 1 19 ? 3.397 -4.109 -6.308 1.00 0.00 ? 19 ARG B CD 3 ATOM 3855 N NE . ARG B 1 19 ? 2.622 -5.130 -7.007 1.00 0.00 ? 19 ARG B NE 3 ATOM 3856 C CZ . ARG B 1 19 ? 2.123 -6.210 -6.416 1.00 0.00 ? 19 ARG B CZ 3 ATOM 3857 N NH1 . ARG B 1 19 ? 2.317 -6.407 -5.119 1.00 0.00 ? 19 ARG B NH1 3 ATOM 3858 N NH2 . ARG B 1 19 ? 1.429 -7.094 -7.120 1.00 0.00 ? 19 ARG B NH2 3 ATOM 3859 H H . ARG B 1 19 ? 5.788 0.109 -5.497 1.00 0.00 ? 19 ARG B H 3 ATOM 3860 H HA . ARG B 1 19 ? 3.358 -0.051 -7.000 1.00 0.00 ? 19 ARG B HA 3 ATOM 3861 H HB2 . ARG B 1 19 ? 5.231 -1.694 -7.193 1.00 0.00 ? 19 ARG B HB2 3 ATOM 3862 H HB3 . ARG B 1 19 ? 4.841 -2.270 -5.578 1.00 0.00 ? 19 ARG B HB3 3 ATOM 3863 H HG2 . ARG B 1 19 ? 2.439 -2.342 -7.015 1.00 0.00 ? 19 ARG B HG2 3 ATOM 3864 H HG3 . ARG B 1 19 ? 3.676 -2.983 -8.097 1.00 0.00 ? 19 ARG B HG3 3 ATOM 3865 H HD2 . ARG B 1 19 ? 4.411 -4.459 -6.189 1.00 0.00 ? 19 ARG B HD2 3 ATOM 3866 H HD3 . ARG B 1 19 ? 2.958 -3.942 -5.334 1.00 0.00 ? 19 ARG B HD3 3 ATOM 3867 H HE . ARG B 1 19 ? 2.467 -5.003 -7.967 1.00 0.00 ? 19 ARG B HE 3 ATOM 3868 H HH11 . ARG B 1 19 ? 2.840 -5.743 -4.585 1.00 0.00 ? 19 ARG B HH11 3 ATOM 3869 H HH12 . ARG B 1 19 ? 1.941 -7.220 -4.675 1.00 0.00 ? 19 ARG B HH12 3 ATOM 3870 H HH21 . ARG B 1 19 ? 1.281 -6.947 -8.099 1.00 0.00 ? 19 ARG B HH21 3 ATOM 3871 H HH22 . ARG B 1 19 ? 1.054 -7.906 -6.673 1.00 0.00 ? 19 ARG B HH22 3 ATOM 3872 N N . LEU B 1 20 ? 3.275 -0.378 -3.777 1.00 0.00 ? 20 LEU B N 3 ATOM 3873 C CA . LEU B 1 20 ? 2.393 -0.467 -2.624 1.00 0.00 ? 20 LEU B CA 3 ATOM 3874 C C . LEU B 1 20 ? 1.462 0.736 -2.585 1.00 0.00 ? 20 LEU B C 3 ATOM 3875 O O . LEU B 1 20 ? 0.271 0.603 -2.311 1.00 0.00 ? 20 LEU B O 3 ATOM 3876 C CB . LEU B 1 20 ? 3.206 -0.545 -1.331 1.00 0.00 ? 20 LEU B CB 3 ATOM 3877 C CG . LEU B 1 20 ? 3.622 -1.955 -0.910 1.00 0.00 ? 20 LEU B CG 3 ATOM 3878 C CD1 . LEU B 1 20 ? 4.798 -1.901 0.052 1.00 0.00 ? 20 LEU B CD1 3 ATOM 3879 C CD2 . LEU B 1 20 ? 2.449 -2.690 -0.280 1.00 0.00 ? 20 LEU B CD2 3 ATOM 3880 H H . LEU B 1 20 ? 4.217 -0.144 -3.642 1.00 0.00 ? 20 LEU B H 3 ATOM 3881 H HA . LEU B 1 20 ? 1.801 -1.364 -2.725 1.00 0.00 ? 20 LEU B HA 3 ATOM 3882 H HB2 . LEU B 1 20 ? 4.099 0.052 -1.455 1.00 0.00 ? 20 LEU B HB2 3 ATOM 3883 H HB3 . LEU B 1 20 ? 2.617 -0.116 -0.535 1.00 0.00 ? 20 LEU B HB3 3 ATOM 3884 H HG . LEU B 1 20 ? 3.932 -2.507 -1.786 1.00 0.00 ? 20 LEU B HG 3 ATOM 3885 H HD11 . LEU B 1 20 ? 5.192 -0.895 0.083 1.00 0.00 ? 20 LEU B HD11 3 ATOM 3886 H HD12 . LEU B 1 20 ? 4.470 -2.189 1.039 1.00 0.00 ? 20 LEU B HD12 3 ATOM 3887 H HD13 . LEU B 1 20 ? 5.570 -2.579 -0.284 1.00 0.00 ? 20 LEU B HD13 3 ATOM 3888 H HD21 . LEU B 1 20 ? 1.551 -2.487 -0.845 1.00 0.00 ? 20 LEU B HD21 3 ATOM 3889 H HD22 . LEU B 1 20 ? 2.644 -3.752 -0.284 1.00 0.00 ? 20 LEU B HD22 3 ATOM 3890 H HD23 . LEU B 1 20 ? 2.318 -2.352 0.738 1.00 0.00 ? 20 LEU B HD23 3 ATOM 3891 N N . GLN B 1 21 ? 2.016 1.912 -2.867 1.00 0.00 ? 21 GLN B N 3 ATOM 3892 C CA . GLN B 1 21 ? 1.235 3.142 -2.873 1.00 0.00 ? 21 GLN B CA 3 ATOM 3893 C C . GLN B 1 21 ? 0.128 3.071 -3.919 1.00 0.00 ? 21 GLN B C 3 ATOM 3894 O O . GLN B 1 21 ? -1.016 3.441 -3.653 1.00 0.00 ? 21 GLN B O 3 ATOM 3895 C CB . GLN B 1 21 ? 2.138 4.345 -3.147 1.00 0.00 ? 21 GLN B CB 3 ATOM 3896 C CG . GLN B 1 21 ? 1.413 5.679 -3.079 1.00 0.00 ? 21 GLN B CG 3 ATOM 3897 C CD . GLN B 1 21 ? 2.162 6.709 -2.257 1.00 0.00 ? 21 GLN B CD 3 ATOM 3898 O OE1 . GLN B 1 21 ? 1.775 7.022 -1.131 1.00 0.00 ? 21 GLN B OE1 3 ATOM 3899 N NE2 . GLN B 1 21 ? 3.241 7.243 -2.818 1.00 0.00 ? 21 GLN B NE2 3 ATOM 3900 H H . GLN B 1 21 ? 2.973 1.952 -3.082 1.00 0.00 ? 21 GLN B H 3 ATOM 3901 H HA . GLN B 1 21 ? 0.786 3.254 -1.896 1.00 0.00 ? 21 GLN B HA 3 ATOM 3902 H HB2 . GLN B 1 21 ? 2.936 4.356 -2.418 1.00 0.00 ? 21 GLN B HB2 3 ATOM 3903 H HB3 . GLN B 1 21 ? 2.566 4.242 -4.134 1.00 0.00 ? 21 GLN B HB3 3 ATOM 3904 H HG2 . GLN B 1 21 ? 1.292 6.060 -4.082 1.00 0.00 ? 21 GLN B HG2 3 ATOM 3905 H HG3 . GLN B 1 21 ? 0.440 5.523 -2.635 1.00 0.00 ? 21 GLN B HG3 3 ATOM 3906 H HE21 . GLN B 1 21 ? 3.489 6.946 -3.718 1.00 0.00 ? 21 GLN B HE21 3 ATOM 3907 H HE22 . GLN B 1 21 ? 3.745 7.912 -2.308 1.00 0.00 ? 21 GLN B HE22 3 ATOM 3908 N N . LYS B 1 22 ? 0.474 2.592 -5.109 1.00 0.00 ? 22 LYS B N 3 ATOM 3909 C CA . LYS B 1 22 ? -0.496 2.471 -6.191 1.00 0.00 ? 22 LYS B CA 3 ATOM 3910 C C . LYS B 1 22 ? -1.592 1.475 -5.826 1.00 0.00 ? 22 LYS B C 3 ATOM 3911 O O . LYS B 1 22 ? -2.756 1.655 -6.187 1.00 0.00 ? 22 LYS B O 3 ATOM 3912 C CB . LYS B 1 22 ? 0.200 2.032 -7.482 1.00 0.00 ? 22 LYS B CB 3 ATOM 3913 C CG . LYS B 1 22 ? -0.481 2.541 -8.742 1.00 0.00 ? 22 LYS B CG 3 ATOM 3914 C CD . LYS B 1 22 ? -0.671 4.049 -8.703 1.00 0.00 ? 22 LYS B CD 3 ATOM 3915 C CE . LYS B 1 22 ? -2.127 4.421 -8.478 1.00 0.00 ? 22 LYS B CE 3 ATOM 3916 N NZ . LYS B 1 22 ? -2.742 5.018 -9.696 1.00 0.00 ? 22 LYS B NZ 3 ATOM 3917 H H . LYS B 1 22 ? 1.402 2.309 -5.263 1.00 0.00 ? 22 LYS B H 3 ATOM 3918 H HA . LYS B 1 22 ? -0.943 3.441 -6.345 1.00 0.00 ? 22 LYS B HA 3 ATOM 3919 H HB2 . LYS B 1 22 ? 1.215 2.400 -7.473 1.00 0.00 ? 22 LYS B HB2 3 ATOM 3920 H HB3 . LYS B 1 22 ? 0.217 0.953 -7.518 1.00 0.00 ? 22 LYS B HB3 3 ATOM 3921 H HG2 . LYS B 1 22 ? 0.130 2.288 -9.596 1.00 0.00 ? 22 LYS B HG2 3 ATOM 3922 H HG3 . LYS B 1 22 ? -1.446 2.068 -8.834 1.00 0.00 ? 22 LYS B HG3 3 ATOM 3923 H HD2 . LYS B 1 22 ? -0.077 4.456 -7.898 1.00 0.00 ? 22 LYS B HD2 3 ATOM 3924 H HD3 . LYS B 1 22 ? -0.342 4.468 -9.642 1.00 0.00 ? 22 LYS B HD3 3 ATOM 3925 H HE2 . LYS B 1 22 ? -2.676 3.531 -8.209 1.00 0.00 ? 22 LYS B HE2 3 ATOM 3926 H HE3 . LYS B 1 22 ? -2.183 5.135 -7.670 1.00 0.00 ? 22 LYS B HE3 3 ATOM 3927 H HZ1 . LYS B 1 22 ? -2.002 5.403 -10.317 1.00 0.00 ? 22 LYS B HZ1 3 ATOM 3928 H HZ2 . LYS B 1 22 ? -3.277 4.294 -10.218 1.00 0.00 ? 22 LYS B HZ2 3 ATOM 3929 H HZ3 . LYS B 1 22 ? -3.390 5.786 -9.429 1.00 0.00 ? 22 LYS B HZ3 3 ATOM 3930 N N . GLU B 1 23 ? -1.211 0.423 -5.109 1.00 0.00 ? 23 GLU B N 3 ATOM 3931 C CA . GLU B 1 23 ? -2.159 -0.605 -4.694 1.00 0.00 ? 23 GLU B CA 3 ATOM 3932 C C . GLU B 1 23 ? -3.173 -0.049 -3.699 1.00 0.00 ? 23 GLU B C 3 ATOM 3933 O O . GLU B 1 23 ? -4.347 -0.425 -3.719 1.00 0.00 ? 23 GLU B O 3 ATOM 3934 C CB . GLU B 1 23 ? -1.417 -1.790 -4.073 1.00 0.00 ? 23 GLU B CB 3 ATOM 3935 C CG . GLU B 1 23 ? -1.096 -2.895 -5.066 1.00 0.00 ? 23 GLU B CG 3 ATOM 3936 C CD . GLU B 1 23 ? 0.188 -3.626 -4.729 1.00 0.00 ? 23 GLU B CD 3 ATOM 3937 O OE1 . GLU B 1 23 ? 1.103 -2.991 -4.166 1.00 0.00 ? 23 GLU B OE1 3 ATOM 3938 O OE2 . GLU B 1 23 ? 0.279 -4.836 -5.029 1.00 0.00 ? 23 GLU B OE2 3 ATOM 3939 H H . GLU B 1 23 ? -0.268 0.335 -4.853 1.00 0.00 ? 23 GLU B H 3 ATOM 3940 H HA . GLU B 1 23 ? -2.685 -0.944 -5.574 1.00 0.00 ? 23 GLU B HA 3 ATOM 3941 H HB2 . GLU B 1 23 ? -0.489 -1.437 -3.648 1.00 0.00 ? 23 GLU B HB2 3 ATOM 3942 H HB3 . GLU B 1 23 ? -2.025 -2.209 -3.286 1.00 0.00 ? 23 GLU B HB3 3 ATOM 3943 H HG2 . GLU B 1 23 ? -1.908 -3.607 -5.067 1.00 0.00 ? 23 GLU B HG2 3 ATOM 3944 H HG3 . GLU B 1 23 ? -0.999 -2.460 -6.050 1.00 0.00 ? 23 GLU B HG3 3 ATOM 3945 N N . ILE B 1 24 ? -2.718 0.850 -2.830 1.00 0.00 ? 24 ILE B N 3 ATOM 3946 C CA . ILE B 1 24 ? -3.600 1.450 -1.834 1.00 0.00 ? 24 ILE B CA 3 ATOM 3947 C C . ILE B 1 24 ? -4.663 2.311 -2.521 1.00 0.00 ? 24 ILE B C 3 ATOM 3948 O O . ILE B 1 24 ? -5.835 2.292 -2.144 1.00 0.00 ? 24 ILE B O 3 ATOM 3949 C CB . ILE B 1 24 ? -2.813 2.276 -0.762 1.00 0.00 ? 24 ILE B CB 3 ATOM 3950 C CG1 . ILE B 1 24 ? -2.721 3.767 -1.120 1.00 0.00 ? 24 ILE B CG1 3 ATOM 3951 C CG2 . ILE B 1 24 ? -1.417 1.707 -0.558 1.00 0.00 ? 24 ILE B CG2 3 ATOM 3952 C CD1 . ILE B 1 24 ? -3.961 4.548 -0.741 1.00 0.00 ? 24 ILE B CD1 3 ATOM 3953 H H . ILE B 1 24 ? -1.777 1.115 -2.864 1.00 0.00 ? 24 ILE B H 3 ATOM 3954 H HA . ILE B 1 24 ? -4.103 0.638 -1.322 1.00 0.00 ? 24 ILE B HA 3 ATOM 3955 H HB . ILE B 1 24 ? -3.342 2.179 0.176 1.00 0.00 ? 24 ILE B HB 3 ATOM 3956 H HG12 . ILE B 1 24 ? -1.881 4.205 -0.600 1.00 0.00 ? 24 ILE B HG12 3 ATOM 3957 H HG13 . ILE B 1 24 ? -2.574 3.870 -2.184 1.00 0.00 ? 24 ILE B HG13 3 ATOM 3958 H HG21 . ILE B 1 24 ? -1.420 0.651 -0.782 1.00 0.00 ? 24 ILE B HG21 3 ATOM 3959 H HG22 . ILE B 1 24 ? -0.725 2.211 -1.216 1.00 0.00 ? 24 ILE B HG22 3 ATOM 3960 H HG23 . ILE B 1 24 ? -1.113 1.859 0.466 1.00 0.00 ? 24 ILE B HG23 3 ATOM 3961 H HD11 . ILE B 1 24 ? -4.679 3.881 -0.283 1.00 0.00 ? 24 ILE B HD11 3 ATOM 3962 H HD12 . ILE B 1 24 ? -3.696 5.328 -0.043 1.00 0.00 ? 24 ILE B HD12 3 ATOM 3963 H HD13 . ILE B 1 24 ? -4.393 4.990 -1.627 1.00 0.00 ? 24 ILE B HD13 3 ATOM 3964 N N . GLU B 1 25 ? -4.235 3.059 -3.533 1.00 0.00 ? 25 GLU B N 3 ATOM 3965 C CA . GLU B 1 25 ? -5.138 3.923 -4.282 1.00 0.00 ? 25 GLU B CA 3 ATOM 3966 C C . GLU B 1 25 ? -6.265 3.108 -4.903 1.00 0.00 ? 25 GLU B C 3 ATOM 3967 O O . GLU B 1 25 ? -7.430 3.498 -4.848 1.00 0.00 ? 25 GLU B O 3 ATOM 3968 C CB . GLU B 1 25 ? -4.374 4.675 -5.373 1.00 0.00 ? 25 GLU B CB 3 ATOM 3969 C CG . GLU B 1 25 ? -4.568 6.182 -5.324 1.00 0.00 ? 25 GLU B CG 3 ATOM 3970 C CD . GLU B 1 25 ? -5.145 6.737 -6.612 1.00 0.00 ? 25 GLU B CD 3 ATOM 3971 O OE1 . GLU B 1 25 ? -4.463 6.648 -7.655 1.00 0.00 ? 25 GLU B OE1 3 ATOM 3972 O OE2 . GLU B 1 25 ? -6.278 7.260 -6.578 1.00 0.00 ? 25 GLU B OE2 3 ATOM 3973 H H . GLU B 1 25 ? -3.288 3.026 -3.786 1.00 0.00 ? 25 GLU B H 3 ATOM 3974 H HA . GLU B 1 25 ? -5.563 4.638 -3.593 1.00 0.00 ? 25 GLU B HA 3 ATOM 3975 H HB2 . GLU B 1 25 ? -3.320 4.466 -5.267 1.00 0.00 ? 25 GLU B HB2 3 ATOM 3976 H HB3 . GLU B 1 25 ? -4.707 4.322 -6.338 1.00 0.00 ? 25 GLU B HB3 3 ATOM 3977 H HG2 . GLU B 1 25 ? -5.242 6.418 -4.515 1.00 0.00 ? 25 GLU B HG2 3 ATOM 3978 H HG3 . GLU B 1 25 ? -3.611 6.649 -5.144 1.00 0.00 ? 25 GLU B HG3 3 ATOM 3979 N N . ARG B 1 26 ? -5.909 1.966 -5.485 1.00 0.00 ? 26 ARG B N 3 ATOM 3980 C CA . ARG B 1 26 ? -6.895 1.091 -6.107 1.00 0.00 ? 26 ARG B CA 3 ATOM 3981 C C . ARG B 1 26 ? -7.979 0.720 -5.103 1.00 0.00 ? 26 ARG B C 3 ATOM 3982 O O . ARG B 1 26 ? -9.172 0.835 -5.387 1.00 0.00 ? 26 ARG B O 3 ATOM 3983 C CB . ARG B 1 26 ? -6.222 -0.173 -6.644 1.00 0.00 ? 26 ARG B CB 3 ATOM 3984 C CG . ARG B 1 26 ? -5.827 -0.076 -8.109 1.00 0.00 ? 26 ARG B CG 3 ATOM 3985 C CD . ARG B 1 26 ? -5.083 1.218 -8.401 1.00 0.00 ? 26 ARG B CD 3 ATOM 3986 N NE . ARG B 1 26 ? -4.253 1.113 -9.597 1.00 0.00 ? 26 ARG B NE 3 ATOM 3987 C CZ . ARG B 1 26 ? -4.728 1.213 -10.834 1.00 0.00 ? 26 ARG B CZ 3 ATOM 3988 N NH1 . ARG B 1 26 ? -6.024 1.418 -11.034 1.00 0.00 ? 26 ARG B NH1 3 ATOM 3989 N NH2 . ARG B 1 26 ? -3.910 1.108 -11.871 1.00 0.00 ? 26 ARG B NH2 3 ATOM 3990 H H . ARG B 1 26 ? -4.964 1.705 -5.492 1.00 0.00 ? 26 ARG B H 3 ATOM 3991 H HA . ARG B 1 26 ? -7.347 1.628 -6.928 1.00 0.00 ? 26 ARG B HA 3 ATOM 3992 H HB2 . ARG B 1 26 ? -5.331 -0.367 -6.066 1.00 0.00 ? 26 ARG B HB2 3 ATOM 3993 H HB3 . ARG B 1 26 ? -6.902 -1.005 -6.532 1.00 0.00 ? 26 ARG B HB3 3 ATOM 3994 H HG2 . ARG B 1 26 ? -5.186 -0.910 -8.355 1.00 0.00 ? 26 ARG B HG2 3 ATOM 3995 H HG3 . ARG B 1 26 ? -6.720 -0.113 -8.715 1.00 0.00 ? 26 ARG B HG3 3 ATOM 3996 H HD2 . ARG B 1 26 ? -5.805 2.008 -8.543 1.00 0.00 ? 26 ARG B HD2 3 ATOM 3997 H HD3 . ARG B 1 26 ? -4.453 1.453 -7.555 1.00 0.00 ? 26 ARG B HD3 3 ATOM 3998 H HE . ARG B 1 26 ? -3.293 0.962 -9.472 1.00 0.00 ? 26 ARG B HE 3 ATOM 3999 H HH11 . ARG B 1 26 ? -6.644 1.497 -10.254 1.00 0.00 ? 26 ARG B HH11 3 ATOM 4000 H HH12 . ARG B 1 26 ? -6.380 1.492 -11.965 1.00 0.00 ? 26 ARG B HH12 3 ATOM 4001 H HH21 . ARG B 1 26 ? -2.934 0.954 -11.725 1.00 0.00 ? 26 ARG B HH21 3 ATOM 4002 H HH22 . ARG B 1 26 ? -4.269 1.183 -12.802 1.00 0.00 ? 26 ARG B HH22 3 ATOM 4003 N N . HIS B 1 27 ? -7.554 0.281 -3.922 1.00 0.00 ? 27 HIS B N 3 ATOM 4004 C CA . HIS B 1 27 ? -8.487 -0.096 -2.869 1.00 0.00 ? 27 HIS B CA 3 ATOM 4005 C C . HIS B 1 27 ? -9.318 1.106 -2.431 1.00 0.00 ? 27 HIS B C 3 ATOM 4006 O O . HIS B 1 27 ? -10.432 0.956 -1.930 1.00 0.00 ? 27 HIS B O 3 ATOM 4007 C CB . HIS B 1 27 ? -7.733 -0.674 -1.671 1.00 0.00 ? 27 HIS B CB 3 ATOM 4008 C CG . HIS B 1 27 ? -7.782 -2.168 -1.596 1.00 0.00 ? 27 HIS B CG 3 ATOM 4009 N ND1 . HIS B 1 27 ? -8.751 -2.856 -0.895 1.00 0.00 ? 27 HIS B ND1 3 ATOM 4010 C CD2 . HIS B 1 27 ? -6.975 -3.110 -2.140 1.00 0.00 ? 27 HIS B CD2 3 ATOM 4011 C CE1 . HIS B 1 27 ? -8.537 -4.155 -1.010 1.00 0.00 ? 27 HIS B CE1 3 ATOM 4012 N NE2 . HIS B 1 27 ? -7.467 -4.334 -1.760 1.00 0.00 ? 27 HIS B NE2 3 ATOM 4013 H H . HIS B 1 27 ? -6.590 0.218 -3.752 1.00 0.00 ? 27 HIS B H 3 ATOM 4014 H HA . HIS B 1 27 ? -9.150 -0.852 -3.267 1.00 0.00 ? 27 HIS B HA 3 ATOM 4015 H HB2 . HIS B 1 27 ? -6.696 -0.379 -1.731 1.00 0.00 ? 27 HIS B HB2 3 ATOM 4016 H HB3 . HIS B 1 27 ? -8.161 -0.281 -0.760 1.00 0.00 ? 27 HIS B HB3 3 ATOM 4017 H HD1 . HIS B 1 27 ? -9.486 -2.452 -0.388 1.00 0.00 ? 27 HIS B HD1 3 ATOM 4018 H HD2 . HIS B 1 27 ? -6.106 -2.931 -2.757 1.00 0.00 ? 27 HIS B HD2 3 ATOM 4019 H HE1 . HIS B 1 27 ? -9.137 -4.936 -0.567 1.00 0.00 ? 27 HIS B HE1 3 ATOM 4020 H HE2 . HIS B 1 27 ? -7.085 -5.204 -2.006 1.00 0.00 ? 27 HIS B HE2 3 ATOM 4021 N N . LYS B 1 28 ? -8.767 2.301 -2.628 1.00 0.00 ? 28 LYS B N 3 ATOM 4022 C CA . LYS B 1 28 ? -9.454 3.532 -2.257 1.00 0.00 ? 28 LYS B CA 3 ATOM 4023 C C . LYS B 1 28 ? -10.566 3.854 -3.249 1.00 0.00 ? 28 LYS B C 3 ATOM 4024 O O . LYS B 1 28 ? -11.577 4.456 -2.890 1.00 0.00 ? 28 LYS B O 3 ATOM 4025 C CB . LYS B 1 28 ? -8.462 4.695 -2.191 1.00 0.00 ? 28 LYS B CB 3 ATOM 4026 C CG . LYS B 1 28 ? -8.951 5.865 -1.355 1.00 0.00 ? 28 LYS B CG 3 ATOM 4027 C CD . LYS B 1 28 ? -9.810 6.816 -2.175 1.00 0.00 ? 28 LYS B CD 3 ATOM 4028 C CE . LYS B 1 28 ? -8.981 7.943 -2.769 1.00 0.00 ? 28 LYS B CE 3 ATOM 4029 N NZ . LYS B 1 28 ? -9.648 9.265 -2.613 1.00 0.00 ? 28 LYS B NZ 3 ATOM 4030 H H . LYS B 1 28 ? -7.876 2.356 -3.033 1.00 0.00 ? 28 LYS B H 3 ATOM 4031 H HA . LYS B 1 28 ? -9.889 3.386 -1.281 1.00 0.00 ? 28 LYS B HA 3 ATOM 4032 H HB2 . LYS B 1 28 ? -7.536 4.339 -1.766 1.00 0.00 ? 28 LYS B HB2 3 ATOM 4033 H HB3 . LYS B 1 28 ? -8.274 5.050 -3.194 1.00 0.00 ? 28 LYS B HB3 3 ATOM 4034 H HG2 . LYS B 1 28 ? -9.538 5.487 -0.531 1.00 0.00 ? 28 LYS B HG2 3 ATOM 4035 H HG3 . LYS B 1 28 ? -8.097 6.405 -0.973 1.00 0.00 ? 28 LYS B HG3 3 ATOM 4036 H HD2 . LYS B 1 28 ? -10.274 6.263 -2.977 1.00 0.00 ? 28 LYS B HD2 3 ATOM 4037 H HD3 . LYS B 1 28 ? -10.572 7.239 -1.538 1.00 0.00 ? 28 LYS B HD3 3 ATOM 4038 H HE2 . LYS B 1 28 ? -8.024 7.972 -2.268 1.00 0.00 ? 28 LYS B HE2 3 ATOM 4039 H HE3 . LYS B 1 28 ? -8.829 7.746 -3.820 1.00 0.00 ? 28 LYS B HE3 3 ATOM 4040 H HZ1 . LYS B 1 28 ? -10.586 9.247 -3.061 1.00 0.00 ? 28 LYS B HZ1 3 ATOM 4041 H HZ2 . LYS B 1 28 ? -9.762 9.492 -1.604 1.00 0.00 ? 28 LYS B HZ2 3 ATOM 4042 H HZ3 . LYS B 1 28 ? -9.076 10.009 -3.061 1.00 0.00 ? 28 LYS B HZ3 3 ATOM 4043 N N . GLN B 1 29 ? -10.372 3.447 -4.500 1.00 0.00 ? 29 GLN B N 3 ATOM 4044 C CA . GLN B 1 29 ? -11.358 3.692 -5.543 1.00 0.00 ? 29 GLN B CA 3 ATOM 4045 C C . GLN B 1 29 ? -12.549 2.753 -5.391 1.00 0.00 ? 29 GLN B C 3 ATOM 4046 O O . GLN B 1 29 ? -13.688 3.126 -5.674 1.00 0.00 ? 29 GLN B O 3 ATOM 4047 C CB . GLN B 1 29 ? -10.726 3.513 -6.925 1.00 0.00 ? 29 GLN B CB 3 ATOM 4048 C CG . GLN B 1 29 ? -11.455 4.261 -8.029 1.00 0.00 ? 29 GLN B CG 3 ATOM 4049 C CD . GLN B 1 29 ? -10.507 4.947 -8.993 1.00 0.00 ? 29 GLN B CD 3 ATOM 4050 O OE1 . GLN B 1 29 ? -9.788 4.291 -9.747 1.00 0.00 ? 29 GLN B OE1 3 ATOM 4051 N NE2 . GLN B 1 29 ? -10.501 6.275 -8.973 1.00 0.00 ? 29 GLN B NE2 3 ATOM 4052 H H . GLN B 1 29 ? -9.546 2.972 -4.724 1.00 0.00 ? 29 GLN B H 3 ATOM 4053 H HA . GLN B 1 29 ? -11.703 4.710 -5.443 1.00 0.00 ? 29 GLN B HA 3 ATOM 4054 H HB2 . GLN B 1 29 ? -9.707 3.870 -6.890 1.00 0.00 ? 29 GLN B HB2 3 ATOM 4055 H HB3 . GLN B 1 29 ? -10.722 2.462 -7.174 1.00 0.00 ? 29 GLN B HB3 3 ATOM 4056 H HG2 . GLN B 1 29 ? -12.061 3.559 -8.583 1.00 0.00 ? 29 GLN B HG2 3 ATOM 4057 H HG3 . GLN B 1 29 ? -12.092 5.008 -7.581 1.00 0.00 ? 29 GLN B HG3 3 ATOM 4058 H HE21 . GLN B 1 29 ? -11.100 6.731 -8.346 1.00 0.00 ? 29 GLN B HE21 3 ATOM 4059 H HE22 . GLN B 1 29 ? -9.897 6.744 -9.586 1.00 0.00 ? 29 GLN B HE22 3 ATOM 4060 N N . SER B 1 30 ? -12.278 1.533 -4.941 1.00 0.00 ? 30 SER B N 3 ATOM 4061 C CA . SER B 1 30 ? -13.330 0.541 -4.748 1.00 0.00 ? 30 SER B CA 3 ATOM 4062 C C . SER B 1 30 ? -14.155 0.857 -3.507 1.00 0.00 ? 30 SER B C 3 ATOM 4063 O O . SER B 1 30 ? -15.378 0.722 -3.512 1.00 0.00 ? 30 SER B O 3 ATOM 4064 C CB . SER B 1 30 ? -12.724 -0.859 -4.631 1.00 0.00 ? 30 SER B CB 3 ATOM 4065 O OG . SER B 1 30 ? -13.493 -1.811 -5.345 1.00 0.00 ? 30 SER B OG 3 ATOM 4066 H H . SER B 1 30 ? -11.351 1.294 -4.731 1.00 0.00 ? 30 SER B H 3 ATOM 4067 H HA . SER B 1 30 ? -13.976 0.572 -5.613 1.00 0.00 ? 30 SER B HA 3 ATOM 4068 H HB2 . SER B 1 30 ? -11.722 -0.851 -5.033 1.00 0.00 ? 30 SER B HB2 3 ATOM 4069 H HB3 . SER B 1 30 ? -12.691 -1.149 -3.590 1.00 0.00 ? 30 SER B HB3 3 ATOM 4070 H HG . SER B 1 30 ? -12.918 -2.324 -5.917 1.00 0.00 ? 30 SER B HG 3 ATOM 4071 N N . ILE B 1 31 ? -13.479 1.283 -2.443 1.00 0.00 ? 31 ILE B N 3 ATOM 4072 C CA . ILE B 1 31 ? -14.152 1.621 -1.196 1.00 0.00 ? 31 ILE B CA 3 ATOM 4073 C C . ILE B 1 31 ? -14.883 2.953 -1.319 1.00 0.00 ? 31 ILE B C 3 ATOM 4074 O O . ILE B 1 31 ? -15.867 3.200 -0.620 1.00 0.00 ? 31 ILE B O 3 ATOM 4075 C CB . ILE B 1 31 ? -13.145 1.687 -0.029 1.00 0.00 ? 31 ILE B CB 3 ATOM 4076 C CG1 . ILE B 1 31 ? -13.830 2.118 1.271 1.00 0.00 ? 31 ILE B CG1 3 ATOM 4077 C CG2 . ILE B 1 31 ? -12.005 2.633 -0.366 1.00 0.00 ? 31 ILE B CG2 3 ATOM 4078 C CD1 . ILE B 1 31 ? -14.629 1.015 1.926 1.00 0.00 ? 31 ILE B CD1 3 ATOM 4079 H H . ILE B 1 31 ? -12.504 1.373 -2.501 1.00 0.00 ? 31 ILE B H 3 ATOM 4080 H HA . ILE B 1 31 ? -14.871 0.844 -0.981 1.00 0.00 ? 31 ILE B HA 3 ATOM 4081 H HB . ILE B 1 31 ? -12.730 0.699 0.106 1.00 0.00 ? 31 ILE B HB 3 ATOM 4082 H HG12 . ILE B 1 31 ? -13.076 2.439 1.975 1.00 0.00 ? 31 ILE B HG12 3 ATOM 4083 H HG13 . ILE B 1 31 ? -14.499 2.941 1.069 1.00 0.00 ? 31 ILE B HG13 3 ATOM 4084 H HG21 . ILE B 1 31 ? -12.076 2.926 -1.403 1.00 0.00 ? 31 ILE B HG21 3 ATOM 4085 H HG22 . ILE B 1 31 ? -12.069 3.511 0.261 1.00 0.00 ? 31 ILE B HG22 3 ATOM 4086 H HG23 . ILE B 1 31 ? -11.062 2.136 -0.196 1.00 0.00 ? 31 ILE B HG23 3 ATOM 4087 H HD11 . ILE B 1 31 ? -15.353 0.630 1.225 1.00 0.00 ? 31 ILE B HD11 3 ATOM 4088 H HD12 . ILE B 1 31 ? -13.962 0.222 2.228 1.00 0.00 ? 31 ILE B HD12 3 ATOM 4089 H HD13 . ILE B 1 31 ? -15.140 1.406 2.793 1.00 0.00 ? 31 ILE B HD13 3 ATOM 4090 N N . LYS B 1 32 ? -14.402 3.808 -2.215 1.00 0.00 ? 32 LYS B N 3 ATOM 4091 C CA . LYS B 1 32 ? -15.013 5.112 -2.432 1.00 0.00 ? 32 LYS B CA 3 ATOM 4092 C C . LYS B 1 32 ? -16.261 4.987 -3.300 1.00 0.00 ? 32 LYS B C 3 ATOM 4093 O O . LYS B 1 32 ? -17.246 5.696 -3.096 1.00 0.00 ? 32 LYS B O 3 ATOM 4094 C CB . LYS B 1 32 ? -14.014 6.067 -3.089 1.00 0.00 ? 32 LYS B CB 3 ATOM 4095 C CG . LYS B 1 32 ? -14.594 7.437 -3.398 1.00 0.00 ? 32 LYS B CG 3 ATOM 4096 C CD . LYS B 1 32 ? -14.323 7.845 -4.837 1.00 0.00 ? 32 LYS B CD 3 ATOM 4097 C CE . LYS B 1 32 ? -13.114 8.760 -4.938 1.00 0.00 ? 32 LYS B CE 3 ATOM 4098 N NZ . LYS B 1 32 ? -12.689 8.965 -6.350 1.00 0.00 ? 32 LYS B NZ 3 ATOM 4099 H H . LYS B 1 32 ? -13.618 3.553 -2.746 1.00 0.00 ? 32 LYS B H 3 ATOM 4100 H HA . LYS B 1 32 ? -15.298 5.508 -1.470 1.00 0.00 ? 32 LYS B HA 3 ATOM 4101 H HB2 . LYS B 1 32 ? -13.171 6.198 -2.426 1.00 0.00 ? 32 LYS B HB2 3 ATOM 4102 H HB3 . LYS B 1 32 ? -13.669 5.628 -4.013 1.00 0.00 ? 32 LYS B HB3 3 ATOM 4103 H HG2 . LYS B 1 32 ? -15.662 7.410 -3.238 1.00 0.00 ? 32 LYS B HG2 3 ATOM 4104 H HG3 . LYS B 1 32 ? -14.147 8.164 -2.737 1.00 0.00 ? 32 LYS B HG3 3 ATOM 4105 H HD2 . LYS B 1 32 ? -14.139 6.957 -5.424 1.00 0.00 ? 32 LYS B HD2 3 ATOM 4106 H HD3 . LYS B 1 32 ? -15.189 8.362 -5.224 1.00 0.00 ? 32 LYS B HD3 3 ATOM 4107 H HE2 . LYS B 1 32 ? -13.366 9.716 -4.506 1.00 0.00 ? 32 LYS B HE2 3 ATOM 4108 H HE3 . LYS B 1 32 ? -12.297 8.319 -4.386 1.00 0.00 ? 32 LYS B HE3 3 ATOM 4109 H HZ1 . LYS B 1 32 ? -13.320 8.444 -6.993 1.00 0.00 ? 32 LYS B HZ1 3 ATOM 4110 H HZ2 . LYS B 1 32 ? -12.725 9.976 -6.592 1.00 0.00 ? 32 LYS B HZ2 3 ATOM 4111 H HZ3 . LYS B 1 32 ? -11.716 8.623 -6.485 1.00 0.00 ? 32 LYS B HZ3 3 ATOM 4112 N N . LYS B 1 33 ? -16.214 4.076 -4.267 1.00 0.00 ? 33 LYS B N 3 ATOM 4113 C CA . LYS B 1 33 ? -17.343 3.856 -5.162 1.00 0.00 ? 33 LYS B CA 3 ATOM 4114 C C . LYS B 1 33 ? -18.414 3.012 -4.481 1.00 0.00 ? 33 LYS B C 3 ATOM 4115 O O . LYS B 1 33 ? -19.598 3.118 -4.800 1.00 0.00 ? 33 LYS B O 3 ATOM 4116 C CB . LYS B 1 33 ? -16.877 3.170 -6.449 1.00 0.00 ? 33 LYS B CB 3 ATOM 4117 C CG . LYS B 1 33 ? -18.006 2.870 -7.421 1.00 0.00 ? 33 LYS B CG 3 ATOM 4118 C CD . LYS B 1 33 ? -18.027 3.862 -8.573 1.00 0.00 ? 33 LYS B CD 3 ATOM 4119 C CE . LYS B 1 33 ? -17.793 3.170 -9.906 1.00 0.00 ? 33 LYS B CE 3 ATOM 4120 N NZ . LYS B 1 33 ? -16.469 3.521 -10.490 1.00 0.00 ? 33 LYS B NZ 3 ATOM 4121 H H . LYS B 1 33 ? -15.402 3.538 -4.380 1.00 0.00 ? 33 LYS B H 3 ATOM 4122 H HA . LYS B 1 33 ? -17.763 4.820 -5.410 1.00 0.00 ? 33 LYS B HA 3 ATOM 4123 H HB2 . LYS B 1 33 ? -16.163 3.810 -6.946 1.00 0.00 ? 33 LYS B HB2 3 ATOM 4124 H HB3 . LYS B 1 33 ? -16.395 2.239 -6.191 1.00 0.00 ? 33 LYS B HB3 3 ATOM 4125 H HG2 . LYS B 1 33 ? -17.871 1.876 -7.818 1.00 0.00 ? 33 LYS B HG2 3 ATOM 4126 H HG3 . LYS B 1 33 ? -18.947 2.924 -6.893 1.00 0.00 ? 33 LYS B HG3 3 ATOM 4127 H HD2 . LYS B 1 33 ? -18.989 4.351 -8.596 1.00 0.00 ? 33 LYS B HD2 3 ATOM 4128 H HD3 . LYS B 1 33 ? -17.251 4.596 -8.417 1.00 0.00 ? 33 LYS B HD3 3 ATOM 4129 H HE2 . LYS B 1 33 ? -17.838 2.102 -9.757 1.00 0.00 ? 33 LYS B HE2 3 ATOM 4130 H HE3 . LYS B 1 33 ? -18.571 3.469 -10.594 1.00 0.00 ? 33 LYS B HE3 3 ATOM 4131 H HZ1 . LYS B 1 33 ? -16.068 4.344 -9.997 1.00 0.00 ? 33 LYS B HZ1 3 ATOM 4132 H HZ2 . LYS B 1 33 ? -15.812 2.720 -10.395 1.00 0.00 ? 33 LYS B HZ2 3 ATOM 4133 H HZ3 . LYS B 1 33 ? -16.573 3.753 -11.499 1.00 0.00 ? 33 LYS B HZ3 3 ATOM 4134 N N . LEU B 1 34 ? -17.989 2.180 -3.536 1.00 0.00 ? 34 LEU B N 3 ATOM 4135 C CA . LEU B 1 34 ? -18.910 1.320 -2.804 1.00 0.00 ? 34 LEU B CA 3 ATOM 4136 C C . LEU B 1 34 ? -19.614 2.101 -1.700 1.00 0.00 ? 34 LEU B C 3 ATOM 4137 O O . LEU B 1 34 ? -20.760 1.813 -1.357 1.00 0.00 ? 34 LEU B O 3 ATOM 4138 C CB . LEU B 1 34 ? -18.164 0.126 -2.207 1.00 0.00 ? 34 LEU B CB 3 ATOM 4139 C CG . LEU B 1 34 ? -18.395 -1.206 -2.923 1.00 0.00 ? 34 LEU B CG 3 ATOM 4140 C CD1 . LEU B 1 34 ? -17.225 -2.148 -2.689 1.00 0.00 ? 34 LEU B CD1 3 ATOM 4141 C CD2 . LEU B 1 34 ? -19.695 -1.842 -2.456 1.00 0.00 ? 34 LEU B CD2 3 ATOM 4142 H H . LEU B 1 34 ? -17.032 2.144 -3.325 1.00 0.00 ? 34 LEU B H 3 ATOM 4143 H HA . LEU B 1 34 ? -19.651 0.958 -3.502 1.00 0.00 ? 34 LEU B HA 3 ATOM 4144 H HB2 . LEU B 1 34 ? -17.106 0.344 -2.227 1.00 0.00 ? 34 LEU B HB2 3 ATOM 4145 H HB3 . LEU B 1 34 ? -18.471 0.013 -1.179 1.00 0.00 ? 34 LEU B HB3 3 ATOM 4146 H HG . LEU B 1 34 ? -18.472 -1.028 -3.986 1.00 0.00 ? 34 LEU B HG 3 ATOM 4147 H HD11 . LEU B 1 34 ? -16.301 -1.589 -2.720 1.00 0.00 ? 34 LEU B HD11 3 ATOM 4148 H HD12 . LEU B 1 34 ? -17.329 -2.618 -1.722 1.00 0.00 ? 34 LEU B HD12 3 ATOM 4149 H HD13 . LEU B 1 34 ? -17.213 -2.906 -3.458 1.00 0.00 ? 34 LEU B HD13 3 ATOM 4150 H HD21 . LEU B 1 34 ? -20.394 -1.068 -2.174 1.00 0.00 ? 34 LEU B HD21 3 ATOM 4151 H HD22 . LEU B 1 34 ? -20.116 -2.432 -3.257 1.00 0.00 ? 34 LEU B HD22 3 ATOM 4152 H HD23 . LEU B 1 34 ? -19.500 -2.478 -1.605 1.00 0.00 ? 34 LEU B HD23 3 ATOM 4153 N N . LYS B 1 35 ? -18.920 3.092 -1.149 1.00 0.00 ? 35 LYS B N 3 ATOM 4154 C CA . LYS B 1 35 ? -19.481 3.915 -0.085 1.00 0.00 ? 35 LYS B CA 3 ATOM 4155 C C . LYS B 1 35 ? -20.460 4.938 -0.650 1.00 0.00 ? 35 LYS B C 3 ATOM 4156 O O . LYS B 1 35 ? -21.471 5.257 -0.025 1.00 0.00 ? 35 LYS B O 3 ATOM 4157 C CB . LYS B 1 35 ? -18.365 4.628 0.682 1.00 0.00 ? 35 LYS B CB 3 ATOM 4158 C CG . LYS B 1 35 ? -17.701 5.744 -0.107 1.00 0.00 ? 35 LYS B CG 3 ATOM 4159 C CD . LYS B 1 35 ? -16.726 6.531 0.753 1.00 0.00 ? 35 LYS B CD 3 ATOM 4160 C CE . LYS B 1 35 ? -17.436 7.602 1.563 1.00 0.00 ? 35 LYS B CE 3 ATOM 4161 N NZ . LYS B 1 35 ? -16.484 8.408 2.375 1.00 0.00 ? 35 LYS B NZ 3 ATOM 4162 H H . LYS B 1 35 ? -18.010 3.274 -1.466 1.00 0.00 ? 35 LYS B H 3 ATOM 4163 H HA . LYS B 1 35 ? -20.012 3.264 0.593 1.00 0.00 ? 35 LYS B HA 3 ATOM 4164 H HB2 . LYS B 1 35 ? -18.778 5.051 1.585 1.00 0.00 ? 35 LYS B HB2 3 ATOM 4165 H HB3 . LYS B 1 35 ? -17.608 3.905 0.947 1.00 0.00 ? 35 LYS B HB3 3 ATOM 4166 H HG2 . LYS B 1 35 ? -17.165 5.314 -0.940 1.00 0.00 ? 35 LYS B HG2 3 ATOM 4167 H HG3 . LYS B 1 35 ? -18.464 6.414 -0.476 1.00 0.00 ? 35 LYS B HG3 3 ATOM 4168 H HD2 . LYS B 1 35 ? -16.230 5.852 1.431 1.00 0.00 ? 35 LYS B HD2 3 ATOM 4169 H HD3 . LYS B 1 35 ? -15.994 7.001 0.112 1.00 0.00 ? 35 LYS B HD3 3 ATOM 4170 H HE2 . LYS B 1 35 ? -17.962 8.259 0.886 1.00 0.00 ? 35 LYS B HE2 3 ATOM 4171 H HE3 . LYS B 1 35 ? -18.145 7.125 2.224 1.00 0.00 ? 35 LYS B HE3 3 ATOM 4172 H HZ1 . LYS B 1 35 ? -15.505 8.127 2.163 1.00 0.00 ? 35 LYS B HZ1 3 ATOM 4173 H HZ2 . LYS B 1 35 ? -16.596 9.419 2.160 1.00 0.00 ? 35 LYS B HZ2 3 ATOM 4174 H HZ3 . LYS B 1 35 ? -16.662 8.259 3.389 1.00 0.00 ? 35 LYS B HZ3 3 ATOM 4175 N N . GLN B 1 36 ? -20.154 5.449 -1.839 1.00 0.00 ? 36 GLN B N 3 ATOM 4176 C CA . GLN B 1 36 ? -21.010 6.433 -2.490 1.00 0.00 ? 36 GLN B CA 3 ATOM 4177 C C . GLN B 1 36 ? -22.223 5.760 -3.121 1.00 0.00 ? 36 GLN B C 3 ATOM 4178 O O . GLN B 1 36 ? -23.295 6.357 -3.224 1.00 0.00 ? 36 GLN B O 3 ATOM 4179 C CB . GLN B 1 36 ? -20.225 7.200 -3.555 1.00 0.00 ? 36 GLN B CB 3 ATOM 4180 C CG . GLN B 1 36 ? -20.934 8.449 -4.052 1.00 0.00 ? 36 GLN B CG 3 ATOM 4181 C CD . GLN B 1 36 ? -20.452 9.709 -3.359 1.00 0.00 ? 36 GLN B CD 3 ATOM 4182 O OE1 . GLN B 1 36 ? -20.913 10.046 -2.268 1.00 0.00 ? 36 GLN B OE1 3 ATOM 4183 N NE2 . GLN B 1 36 ? -19.519 10.411 -3.990 1.00 0.00 ? 36 GLN B NE2 3 ATOM 4184 H H . GLN B 1 36 ? -19.334 5.154 -2.291 1.00 0.00 ? 36 GLN B H 3 ATOM 4185 H HA . GLN B 1 36 ? -21.351 7.127 -1.735 1.00 0.00 ? 36 GLN B HA 3 ATOM 4186 H HB2 . GLN B 1 36 ? -19.272 7.495 -3.140 1.00 0.00 ? 36 GLN B HB2 3 ATOM 4187 H HB3 . GLN B 1 36 ? -20.054 6.549 -4.399 1.00 0.00 ? 36 GLN B HB3 3 ATOM 4188 H HG2 . GLN B 1 36 ? -20.757 8.551 -5.112 1.00 0.00 ? 36 GLN B HG2 3 ATOM 4189 H HG3 . GLN B 1 36 ? -21.994 8.340 -3.873 1.00 0.00 ? 36 GLN B HG3 3 ATOM 4190 H HE21 . GLN B 1 36 ? -19.198 10.083 -4.856 1.00 0.00 ? 36 GLN B HE21 3 ATOM 4191 H HE22 . GLN B 1 36 ? -19.189 11.230 -3.565 1.00 0.00 ? 36 GLN B HE22 3 ATOM 4192 N N . SER B 1 37 ? -22.048 4.510 -3.540 1.00 0.00 ? 37 SER B N 3 ATOM 4193 C CA . SER B 1 37 ? -23.129 3.753 -4.158 1.00 0.00 ? 37 SER B CA 3 ATOM 4194 C C . SER B 1 37 ? -24.099 3.236 -3.102 1.00 0.00 ? 37 SER B C 3 ATOM 4195 O O . SER B 1 37 ? -25.279 3.022 -3.379 1.00 0.00 ? 37 SER B O 3 ATOM 4196 C CB . SER B 1 37 ? -22.563 2.583 -4.965 1.00 0.00 ? 37 SER B CB 3 ATOM 4197 O OG . SER B 1 37 ? -23.501 2.123 -5.923 1.00 0.00 ? 37 SER B OG 3 ATOM 4198 H H . SER B 1 37 ? -21.170 4.088 -3.428 1.00 0.00 ? 37 SER B H 3 ATOM 4199 H HA . SER B 1 37 ? -23.659 4.417 -4.825 1.00 0.00 ? 37 SER B HA 3 ATOM 4200 H HB2 . SER B 1 37 ? -21.669 2.902 -5.480 1.00 0.00 ? 37 SER B HB2 3 ATOM 4201 H HB3 . SER B 1 37 ? -22.322 1.770 -4.296 1.00 0.00 ? 37 SER B HB3 3 ATOM 4202 H HG . SER B 1 37 ? -23.612 1.174 -5.833 1.00 0.00 ? 37 SER B HG 3 ATOM 4203 N N . GLU B 1 38 ? -23.593 3.040 -1.888 1.00 0.00 ? 38 GLU B N 3 ATOM 4204 C CA . GLU B 1 38 ? -24.415 2.550 -0.789 1.00 0.00 ? 38 GLU B CA 3 ATOM 4205 C C . GLU B 1 38 ? -25.342 3.647 -0.274 1.00 0.00 ? 38 GLU B C 3 ATOM 4206 O O . GLU B 1 38 ? -26.423 3.368 0.244 1.00 0.00 ? 38 GLU B O 3 ATOM 4207 C CB . GLU B 1 38 ? -23.531 2.038 0.350 1.00 0.00 ? 38 GLU B CB 3 ATOM 4208 C CG . GLU B 1 38 ? -23.868 0.623 0.793 1.00 0.00 ? 38 GLU B CG 3 ATOM 4209 C CD . GLU B 1 38 ? -23.812 0.454 2.298 1.00 0.00 ? 38 GLU B CD 3 ATOM 4210 O OE1 . GLU B 1 38 ? -22.880 1.003 2.922 1.00 0.00 ? 38 GLU B OE1 3 ATOM 4211 O OE2 . GLU B 1 38 ? -24.700 -0.226 2.853 1.00 0.00 ? 38 GLU B OE2 3 ATOM 4212 H H . GLU B 1 38 ? -22.645 3.230 -1.728 1.00 0.00 ? 38 GLU B H 3 ATOM 4213 H HA . GLU B 1 38 ? -25.016 1.733 -1.161 1.00 0.00 ? 38 GLU B HA 3 ATOM 4214 H HB2 . GLU B 1 38 ? -22.501 2.054 0.025 1.00 0.00 ? 38 GLU B HB2 3 ATOM 4215 H HB3 . GLU B 1 38 ? -23.642 2.694 1.200 1.00 0.00 ? 38 GLU B HB3 3 ATOM 4216 H HG2 . GLU B 1 38 ? -24.865 0.382 0.456 1.00 0.00 ? 38 GLU B HG2 3 ATOM 4217 H HG3 . GLU B 1 38 ? -23.163 -0.059 0.341 1.00 0.00 ? 38 GLU B HG3 3 ATOM 4218 N N . ASP B 1 39 ? -24.911 4.895 -0.423 1.00 0.00 ? 39 ASP B N 3 ATOM 4219 C CA . ASP B 1 39 ? -25.703 6.035 0.026 1.00 0.00 ? 39 ASP B CA 3 ATOM 4220 C C . ASP B 1 39 ? -26.906 6.253 -0.885 1.00 0.00 ? 39 ASP B C 3 ATOM 4221 O O . ASP B 1 39 ? -27.918 6.818 -0.468 1.00 0.00 ? 39 ASP B O 3 ATOM 4222 C CB . ASP B 1 39 ? -24.841 7.298 0.064 1.00 0.00 ? 39 ASP B CB 3 ATOM 4223 C CG . ASP B 1 39 ? -24.806 7.934 1.440 1.00 0.00 ? 39 ASP B CG 3 ATOM 4224 O OD1 . ASP B 1 39 ? -25.814 8.559 1.831 1.00 0.00 ? 39 ASP B OD1 3 ATOM 4225 O OD2 . ASP B 1 39 ? -23.770 7.804 2.127 1.00 0.00 ? 39 ASP B OD2 3 ATOM 4226 H H . ASP B 1 39 ? -24.040 5.054 -0.844 1.00 0.00 ? 39 ASP B H 3 ATOM 4227 H HA . ASP B 1 39 ? -26.055 5.821 1.024 1.00 0.00 ? 39 ASP B HA 3 ATOM 4228 H HB2 . ASP B 1 39 ? -23.831 7.046 -0.221 1.00 0.00 ? 39 ASP B HB2 3 ATOM 4229 H HB3 . ASP B 1 39 ? -25.239 8.019 -0.636 1.00 0.00 ? 39 ASP B HB3 3 ATOM 4230 N N . ASP B 1 40 ? -26.790 5.803 -2.131 1.00 0.00 ? 40 ASP B N 3 ATOM 4231 C CA . ASP B 1 40 ? -27.870 5.950 -3.100 1.00 0.00 ? 40 ASP B CA 3 ATOM 4232 C C . ASP B 1 40 ? -28.868 4.802 -2.981 1.00 0.00 ? 40 ASP B C 3 ATOM 4233 O O . ASP B 1 40 ? -30.074 4.997 -3.135 1.00 0.00 ? 40 ASP B O 3 ATOM 4234 C CB . ASP B 1 40 ? -27.303 6.003 -4.520 1.00 0.00 ? 40 ASP B CB 3 ATOM 4235 C CG . ASP B 1 40 ? -28.389 6.126 -5.571 1.00 0.00 ? 40 ASP B CG 3 ATOM 4236 O OD1 . ASP B 1 40 ? -28.830 7.263 -5.839 1.00 0.00 ? 40 ASP B OD1 3 ATOM 4237 O OD2 . ASP B 1 40 ? -28.799 5.085 -6.126 1.00 0.00 ? 40 ASP B OD2 3 ATOM 4238 H H . ASP B 1 40 ? -25.959 5.362 -2.403 1.00 0.00 ? 40 ASP B H 3 ATOM 4239 H HA . ASP B 1 40 ? -28.379 6.878 -2.890 1.00 0.00 ? 40 ASP B HA 3 ATOM 4240 H HB2 . ASP B 1 40 ? -26.647 6.856 -4.607 1.00 0.00 ? 40 ASP B HB2 3 ATOM 4241 H HB3 . ASP B 1 40 ? -26.742 5.100 -4.712 1.00 0.00 ? 40 ASP B HB3 3 ATOM 4242 N N . ASP B 1 41 ? -28.357 3.607 -2.706 1.00 0.00 ? 41 ASP B N 3 ATOM 4243 C CA . ASP B 1 41 ? -29.204 2.427 -2.567 1.00 0.00 ? 41 ASP B CA 3 ATOM 4244 C C . ASP B 1 41 ? -29.790 2.017 -3.914 1.00 0.00 ? 41 ASP B C 3 ATOM 4245 O O . ASP B 1 41 ? -29.463 2.672 -4.926 1.00 0.00 ? 41 ASP B O 3 ATOM 4246 C CB . ASP B 1 41 ? -30.330 2.697 -1.568 1.00 0.00 ? 41 ASP B CB 3 ATOM 4247 C CG . ASP B 1 41 ? -30.739 1.451 -0.808 1.00 0.00 ? 41 ASP B CG 3 ATOM 4248 O OD1 . ASP B 1 41 ? -30.839 0.377 -1.437 1.00 0.00 ? 41 ASP B OD1 3 ATOM 4249 O OD2 . ASP B 1 41 ? -30.961 1.549 0.418 1.00 0.00 ? 41 ASP B OD2 3 ATOM 4250 O OXT . ASP B 1 41 ? -30.572 1.043 -3.946 1.00 0.00 ? 41 ASP B OXT 3 ATOM 4251 H H . ASP B 1 41 ? -27.388 3.515 -2.594 1.00 0.00 ? 41 ASP B H 3 ATOM 4252 H HA . ASP B 1 41 ? -28.590 1.621 -2.195 1.00 0.00 ? 41 ASP B HA 3 ATOM 4253 H HB2 . ASP B 1 41 ? -30.000 3.438 -0.855 1.00 0.00 ? 41 ASP B HB2 3 ATOM 4254 H HB3 . ASP B 1 41 ? -31.192 3.073 -2.099 1.00 0.00 ? 41 ASP B HB3 3 ATOM 4255 N N . ALA A 1 1 ? -33.167 -8.689 -2.387 1.00 0.00 ? 1 ALA A N 4 ATOM 4256 C CA . ALA A 1 1 ? -31.786 -8.932 -1.896 1.00 0.00 ? 1 ALA A CA 4 ATOM 4257 C C . ALA A 1 1 ? -31.559 -8.264 -0.545 1.00 0.00 ? 1 ALA A C 4 ATOM 4258 O O . ALA A 1 1 ? -32.253 -7.312 -0.187 1.00 0.00 ? 1 ALA A O 4 ATOM 4259 C CB . ALA A 1 1 ? -30.770 -8.430 -2.911 1.00 0.00 ? 1 ALA A CB 4 ATOM 4260 H H1 . ALA A 1 1 ? -33.807 -8.731 -1.567 1.00 0.00 ? 1 ALA A H1 4 ATOM 4261 H H2 . ALA A 1 1 ? -33.185 -7.747 -2.829 1.00 0.00 ? 1 ALA A H2 4 ATOM 4262 H H3 . ALA A 1 1 ? -33.393 -9.430 -3.079 1.00 0.00 ? 1 ALA A H3 4 ATOM 4263 H HA . ALA A 1 1 ? -31.648 -9.999 -1.785 1.00 0.00 ? 1 ALA A HA 4 ATOM 4264 H HB1 . ALA A 1 1 ? -30.223 -7.599 -2.490 1.00 0.00 ? 1 ALA A HB1 4 ATOM 4265 H HB2 . ALA A 1 1 ? -30.082 -9.225 -3.156 1.00 0.00 ? 1 ALA A HB2 4 ATOM 4266 H HB3 . ALA A 1 1 ? -31.283 -8.107 -3.804 1.00 0.00 ? 1 ALA A HB3 4 ATOM 4267 N N . LEU A 1 2 ? -30.583 -8.768 0.203 1.00 0.00 ? 2 LEU A N 4 ATOM 4268 C CA . LEU A 1 2 ? -30.266 -8.219 1.517 1.00 0.00 ? 2 LEU A CA 4 ATOM 4269 C C . LEU A 1 2 ? -29.114 -7.224 1.425 1.00 0.00 ? 2 LEU A C 4 ATOM 4270 O O . LEU A 1 2 ? -29.023 -6.289 2.220 1.00 0.00 ? 2 LEU A O 4 ATOM 4271 C CB . LEU A 1 2 ? -29.906 -9.345 2.489 1.00 0.00 ? 2 LEU A CB 4 ATOM 4272 C CG . LEU A 1 2 ? -30.659 -10.658 2.267 1.00 0.00 ? 2 LEU A CG 4 ATOM 4273 C CD1 . LEU A 1 2 ? -29.691 -11.772 1.901 1.00 0.00 ? 2 LEU A CD1 4 ATOM 4274 C CD2 . LEU A 1 2 ? -31.460 -11.031 3.506 1.00 0.00 ? 2 LEU A CD2 4 ATOM 4275 H H . LEU A 1 2 ? -30.066 -9.528 -0.136 1.00 0.00 ? 2 LEU A H 4 ATOM 4276 H HA . LEU A 1 2 ? -31.142 -7.706 1.882 1.00 0.00 ? 2 LEU A HA 4 ATOM 4277 H HB2 . LEU A 1 2 ? -28.848 -9.542 2.403 1.00 0.00 ? 2 LEU A HB2 4 ATOM 4278 H HB3 . LEU A 1 2 ? -30.112 -9.004 3.492 1.00 0.00 ? 2 LEU A HB3 4 ATOM 4279 H HG . LEU A 1 2 ? -31.351 -10.534 1.445 1.00 0.00 ? 2 LEU A HG 4 ATOM 4280 H HD11 . LEU A 1 2 ? -28.802 -11.346 1.457 1.00 0.00 ? 2 LEU A HD11 4 ATOM 4281 H HD12 . LEU A 1 2 ? -29.421 -12.321 2.790 1.00 0.00 ? 2 LEU A HD12 4 ATOM 4282 H HD13 . LEU A 1 2 ? -30.162 -12.440 1.194 1.00 0.00 ? 2 LEU A HD13 4 ATOM 4283 H HD21 . LEU A 1 2 ? -31.793 -10.131 4.003 1.00 0.00 ? 2 LEU A HD21 4 ATOM 4284 H HD22 . LEU A 1 2 ? -32.316 -11.622 3.216 1.00 0.00 ? 2 LEU A HD22 4 ATOM 4285 H HD23 . LEU A 1 2 ? -30.837 -11.602 4.177 1.00 0.00 ? 2 LEU A HD23 4 ATOM 4286 N N . LYS A 1 3 ? -28.235 -7.432 0.449 1.00 0.00 ? 3 LYS A N 4 ATOM 4287 C CA . LYS A 1 3 ? -27.088 -6.554 0.253 1.00 0.00 ? 3 LYS A CA 4 ATOM 4288 C C . LYS A 1 3 ? -26.321 -6.358 1.557 1.00 0.00 ? 3 LYS A C 4 ATOM 4289 O O . LYS A 1 3 ? -25.636 -5.352 1.741 1.00 0.00 ? 3 LYS A O 4 ATOM 4290 C CB . LYS A 1 3 ? -27.544 -5.198 -0.293 1.00 0.00 ? 3 LYS A CB 4 ATOM 4291 C CG . LYS A 1 3 ? -26.986 -4.879 -1.669 1.00 0.00 ? 3 LYS A CG 4 ATOM 4292 C CD . LYS A 1 3 ? -28.059 -4.315 -2.587 1.00 0.00 ? 3 LYS A CD 4 ATOM 4293 C CE . LYS A 1 3 ? -27.861 -4.776 -4.023 1.00 0.00 ? 3 LYS A CE 4 ATOM 4294 N NZ . LYS A 1 3 ? -26.477 -4.513 -4.506 1.00 0.00 ? 3 LYS A NZ 4 ATOM 4295 H H . LYS A 1 3 ? -28.361 -8.195 -0.153 1.00 0.00 ? 3 LYS A H 4 ATOM 4296 H HA . LYS A 1 3 ? -26.434 -7.020 -0.469 1.00 0.00 ? 3 LYS A HA 4 ATOM 4297 H HB2 . LYS A 1 3 ? -28.622 -5.192 -0.355 1.00 0.00 ? 3 LYS A HB2 4 ATOM 4298 H HB3 . LYS A 1 3 ? -27.227 -4.423 0.390 1.00 0.00 ? 3 LYS A HB3 4 ATOM 4299 H HG2 . LYS A 1 3 ? -26.196 -4.150 -1.567 1.00 0.00 ? 3 LYS A HG2 4 ATOM 4300 H HG3 . LYS A 1 3 ? -26.590 -5.784 -2.106 1.00 0.00 ? 3 LYS A HG3 4 ATOM 4301 H HD2 . LYS A 1 3 ? -29.026 -4.648 -2.243 1.00 0.00 ? 3 LYS A HD2 4 ATOM 4302 H HD3 . LYS A 1 3 ? -28.014 -3.235 -2.556 1.00 0.00 ? 3 LYS A HD3 4 ATOM 4303 H HE2 . LYS A 1 3 ? -28.056 -5.836 -4.077 1.00 0.00 ? 3 LYS A HE2 4 ATOM 4304 H HE3 . LYS A 1 3 ? -28.561 -4.249 -4.656 1.00 0.00 ? 3 LYS A HE3 4 ATOM 4305 H HZ1 . LYS A 1 3 ? -25.983 -3.880 -3.846 1.00 0.00 ? 3 LYS A HZ1 4 ATOM 4306 H HZ2 . LYS A 1 3 ? -25.947 -5.406 -4.574 1.00 0.00 ? 3 LYS A HZ2 4 ATOM 4307 H HZ3 . LYS A 1 3 ? -26.505 -4.066 -5.444 1.00 0.00 ? 3 LYS A HZ3 4 ATOM 4308 N N . LYS A 1 4 ? -26.439 -7.327 2.459 1.00 0.00 ? 4 LYS A N 4 ATOM 4309 C CA . LYS A 1 4 ? -25.754 -7.261 3.745 1.00 0.00 ? 4 LYS A CA 4 ATOM 4310 C C . LYS A 1 4 ? -24.270 -7.565 3.584 1.00 0.00 ? 4 LYS A C 4 ATOM 4311 O O . LYS A 1 4 ? -23.421 -6.902 4.180 1.00 0.00 ? 4 LYS A O 4 ATOM 4312 C CB . LYS A 1 4 ? -26.385 -8.242 4.734 1.00 0.00 ? 4 LYS A CB 4 ATOM 4313 C CG . LYS A 1 4 ? -26.128 -7.888 6.190 1.00 0.00 ? 4 LYS A CG 4 ATOM 4314 C CD . LYS A 1 4 ? -27.051 -8.657 7.121 1.00 0.00 ? 4 LYS A CD 4 ATOM 4315 C CE . LYS A 1 4 ? -27.440 -7.824 8.332 1.00 0.00 ? 4 LYS A CE 4 ATOM 4316 N NZ . LYS A 1 4 ? -28.206 -6.606 7.948 1.00 0.00 ? 4 LYS A NZ 4 ATOM 4317 H H . LYS A 1 4 ? -26.998 -8.105 2.255 1.00 0.00 ? 4 LYS A H 4 ATOM 4318 H HA . LYS A 1 4 ? -25.864 -6.256 4.128 1.00 0.00 ? 4 LYS A HA 4 ATOM 4319 H HB2 . LYS A 1 4 ? -27.453 -8.261 4.574 1.00 0.00 ? 4 LYS A HB2 4 ATOM 4320 H HB3 . LYS A 1 4 ? -25.985 -9.228 4.550 1.00 0.00 ? 4 LYS A HB3 4 ATOM 4321 H HG2 . LYS A 1 4 ? -25.105 -8.130 6.435 1.00 0.00 ? 4 LYS A HG2 4 ATOM 4322 H HG3 . LYS A 1 4 ? -26.293 -6.829 6.327 1.00 0.00 ? 4 LYS A HG3 4 ATOM 4323 H HD2 . LYS A 1 4 ? -27.947 -8.927 6.582 1.00 0.00 ? 4 LYS A HD2 4 ATOM 4324 H HD3 . LYS A 1 4 ? -26.546 -9.550 7.457 1.00 0.00 ? 4 LYS A HD3 4 ATOM 4325 H HE2 . LYS A 1 4 ? -28.049 -8.428 8.988 1.00 0.00 ? 4 LYS A HE2 4 ATOM 4326 H HE3 . LYS A 1 4 ? -26.541 -7.524 8.850 1.00 0.00 ? 4 LYS A HE3 4 ATOM 4327 H HZ1 . LYS A 1 4 ? -28.857 -6.825 7.167 1.00 0.00 ? 4 LYS A HZ1 4 ATOM 4328 H HZ2 . LYS A 1 4 ? -28.757 -6.259 8.757 1.00 0.00 ? 4 LYS A HZ2 4 ATOM 4329 H HZ3 . LYS A 1 4 ? -27.553 -5.856 7.640 1.00 0.00 ? 4 LYS A HZ3 4 ATOM 4330 N N . HIS A 1 5 ? -23.962 -8.574 2.775 1.00 0.00 ? 5 HIS A N 4 ATOM 4331 C CA . HIS A 1 5 ? -22.578 -8.964 2.536 1.00 0.00 ? 5 HIS A CA 4 ATOM 4332 C C . HIS A 1 5 ? -21.778 -7.799 1.963 1.00 0.00 ? 5 HIS A C 4 ATOM 4333 O O . HIS A 1 5 ? -20.556 -7.741 2.107 1.00 0.00 ? 5 HIS A O 4 ATOM 4334 C CB . HIS A 1 5 ? -22.521 -10.156 1.580 1.00 0.00 ? 5 HIS A CB 4 ATOM 4335 C CG . HIS A 1 5 ? -23.366 -9.985 0.356 1.00 0.00 ? 5 HIS A CG 4 ATOM 4336 N ND1 . HIS A 1 5 ? -24.339 -10.888 -0.020 1.00 0.00 ? 5 HIS A ND1 4 ATOM 4337 C CD2 . HIS A 1 5 ? -23.382 -9.006 -0.580 1.00 0.00 ? 5 HIS A CD2 4 ATOM 4338 C CE1 . HIS A 1 5 ? -24.916 -10.473 -1.134 1.00 0.00 ? 5 HIS A CE1 4 ATOM 4339 N NE2 . HIS A 1 5 ? -24.352 -9.334 -1.493 1.00 0.00 ? 5 HIS A NE2 4 ATOM 4340 H H . HIS A 1 5 ? -24.681 -9.065 2.328 1.00 0.00 ? 5 HIS A H 4 ATOM 4341 H HA . HIS A 1 5 ? -22.145 -9.252 3.482 1.00 0.00 ? 5 HIS A HA 4 ATOM 4342 H HB2 . HIS A 1 5 ? -21.500 -10.304 1.259 1.00 0.00 ? 5 HIS A HB2 4 ATOM 4343 H HB3 . HIS A 1 5 ? -22.861 -11.041 2.098 1.00 0.00 ? 5 HIS A HB3 4 ATOM 4344 H HD1 . HIS A 1 5 ? -24.571 -11.711 0.458 1.00 0.00 ? 5 HIS A HD1 4 ATOM 4345 H HD2 . HIS A 1 5 ? -22.748 -8.131 -0.604 1.00 0.00 ? 5 HIS A HD2 4 ATOM 4346 H HE1 . HIS A 1 5 ? -25.712 -10.978 -1.660 1.00 0.00 ? 5 HIS A HE1 4 ATOM 4347 H HE2 . HIS A 1 5 ? -24.592 -8.808 -2.286 1.00 0.00 ? 5 HIS A HE2 4 ATOM 4348 N N . HIS A 1 6 ? -22.474 -6.870 1.313 1.00 0.00 ? 6 HIS A N 4 ATOM 4349 C CA . HIS A 1 6 ? -21.828 -5.706 0.719 1.00 0.00 ? 6 HIS A CA 4 ATOM 4350 C C . HIS A 1 6 ? -21.179 -4.840 1.792 1.00 0.00 ? 6 HIS A C 4 ATOM 4351 O O . HIS A 1 6 ? -20.095 -4.297 1.592 1.00 0.00 ? 6 HIS A O 4 ATOM 4352 C CB . HIS A 1 6 ? -22.841 -4.883 -0.077 1.00 0.00 ? 6 HIS A CB 4 ATOM 4353 C CG . HIS A 1 6 ? -22.455 -4.678 -1.508 1.00 0.00 ? 6 HIS A CG 4 ATOM 4354 N ND1 . HIS A 1 6 ? -21.667 -5.567 -2.210 1.00 0.00 ? 6 HIS A ND1 4 ATOM 4355 C CD2 . HIS A 1 6 ? -22.752 -3.679 -2.373 1.00 0.00 ? 6 HIS A CD2 4 ATOM 4356 C CE1 . HIS A 1 6 ? -21.496 -5.124 -3.443 1.00 0.00 ? 6 HIS A CE1 4 ATOM 4357 N NE2 . HIS A 1 6 ? -22.145 -3.980 -3.566 1.00 0.00 ? 6 HIS A NE2 4 ATOM 4358 H H . HIS A 1 6 ? -23.446 -6.972 1.231 1.00 0.00 ? 6 HIS A H 4 ATOM 4359 H HA . HIS A 1 6 ? -21.058 -6.061 0.050 1.00 0.00 ? 6 HIS A HA 4 ATOM 4360 H HB2 . HIS A 1 6 ? -23.797 -5.386 -0.060 1.00 0.00 ? 6 HIS A HB2 4 ATOM 4361 H HB3 . HIS A 1 6 ? -22.944 -3.910 0.383 1.00 0.00 ? 6 HIS A HB3 4 ATOM 4362 H HD1 . HIS A 1 6 ? -21.289 -6.400 -1.857 1.00 0.00 ? 6 HIS A HD1 4 ATOM 4363 H HD2 . HIS A 1 6 ? -23.355 -2.807 -2.162 1.00 0.00 ? 6 HIS A HD2 4 ATOM 4364 H HE1 . HIS A 1 6 ? -20.924 -5.613 -4.218 1.00 0.00 ? 6 HIS A HE1 4 ATOM 4365 H HE2 . HIS A 1 6 ? -22.184 -3.437 -4.381 1.00 0.00 ? 6 HIS A HE2 4 ATOM 4366 N N . GLU A 1 7 ? -21.848 -4.717 2.935 1.00 0.00 ? 7 GLU A N 4 ATOM 4367 C CA . GLU A 1 7 ? -21.331 -3.921 4.040 1.00 0.00 ? 7 GLU A CA 4 ATOM 4368 C C . GLU A 1 7 ? -20.044 -4.531 4.585 1.00 0.00 ? 7 GLU A C 4 ATOM 4369 O O . GLU A 1 7 ? -19.204 -3.833 5.150 1.00 0.00 ? 7 GLU A O 4 ATOM 4370 C CB . GLU A 1 7 ? -22.373 -3.814 5.154 1.00 0.00 ? 7 GLU A CB 4 ATOM 4371 C CG . GLU A 1 7 ? -23.425 -2.746 4.903 1.00 0.00 ? 7 GLU A CG 4 ATOM 4372 C CD . GLU A 1 7 ? -23.869 -2.055 6.177 1.00 0.00 ? 7 GLU A CD 4 ATOM 4373 O OE1 . GLU A 1 7 ? -24.448 -2.735 7.050 1.00 0.00 ? 7 GLU A OE1 4 ATOM 4374 O OE2 . GLU A 1 7 ? -23.638 -0.833 6.301 1.00 0.00 ? 7 GLU A OE2 4 ATOM 4375 H H . GLU A 1 7 ? -22.708 -5.175 3.038 1.00 0.00 ? 7 GLU A H 4 ATOM 4376 H HA . GLU A 1 7 ? -21.114 -2.932 3.663 1.00 0.00 ? 7 GLU A HA 4 ATOM 4377 H HB2 . GLU A 1 7 ? -22.874 -4.765 5.255 1.00 0.00 ? 7 GLU A HB2 4 ATOM 4378 H HB3 . GLU A 1 7 ? -21.869 -3.582 6.081 1.00 0.00 ? 7 GLU A HB3 4 ATOM 4379 H HG2 . GLU A 1 7 ? -23.014 -2.004 4.234 1.00 0.00 ? 7 GLU A HG2 4 ATOM 4380 H HG3 . GLU A 1 7 ? -24.285 -3.208 4.442 1.00 0.00 ? 7 GLU A HG3 4 ATOM 4381 N N . ASN A 1 8 ? -19.896 -5.841 4.404 1.00 0.00 ? 8 ASN A N 4 ATOM 4382 C CA . ASN A 1 8 ? -18.709 -6.547 4.873 1.00 0.00 ? 8 ASN A CA 4 ATOM 4383 C C . ASN A 1 8 ? -17.506 -6.205 4.004 1.00 0.00 ? 8 ASN A C 4 ATOM 4384 O O . ASN A 1 8 ? -16.479 -5.746 4.502 1.00 0.00 ? 8 ASN A O 4 ATOM 4385 C CB . ASN A 1 8 ? -18.950 -8.058 4.865 1.00 0.00 ? 8 ASN A CB 4 ATOM 4386 C CG . ASN A 1 8 ? -18.437 -8.732 6.122 1.00 0.00 ? 8 ASN A CG 4 ATOM 4387 O OD1 . ASN A 1 8 ? -17.284 -8.547 6.512 1.00 0.00 ? 8 ASN A OD1 4 ATOM 4388 N ND2 . ASN A 1 8 ? -19.292 -9.520 6.763 1.00 0.00 ? 8 ASN A ND2 4 ATOM 4389 H H . ASN A 1 8 ? -20.599 -6.343 3.942 1.00 0.00 ? 8 ASN A H 4 ATOM 4390 H HA . ASN A 1 8 ? -18.511 -6.227 5.885 1.00 0.00 ? 8 ASN A HA 4 ATOM 4391 H HB2 . ASN A 1 8 ? -20.010 -8.247 4.785 1.00 0.00 ? 8 ASN A HB2 4 ATOM 4392 H HB3 . ASN A 1 8 ? -18.446 -8.492 4.013 1.00 0.00 ? 8 ASN A HB3 4 ATOM 4393 H HD21 . ASN A 1 8 ? -20.194 -9.620 6.393 1.00 0.00 ? 8 ASN A HD21 4 ATOM 4394 H HD22 . ASN A 1 8 ? -18.986 -9.968 7.579 1.00 0.00 ? 8 ASN A HD22 4 ATOM 4395 N N . GLU A 1 9 ? -17.643 -6.421 2.700 1.00 0.00 ? 9 GLU A N 4 ATOM 4396 C CA . GLU A 1 9 ? -16.568 -6.121 1.762 1.00 0.00 ? 9 GLU A CA 4 ATOM 4397 C C . GLU A 1 9 ? -16.250 -4.629 1.774 1.00 0.00 ? 9 GLU A C 4 ATOM 4398 O O . GLU A 1 9 ? -15.142 -4.217 1.433 1.00 0.00 ? 9 GLU A O 4 ATOM 4399 C CB . GLU A 1 9 ? -16.955 -6.563 0.349 1.00 0.00 ? 9 GLU A CB 4 ATOM 4400 C CG . GLU A 1 9 ? -15.949 -7.506 -0.290 1.00 0.00 ? 9 GLU A CG 4 ATOM 4401 C CD . GLU A 1 9 ? -15.834 -8.825 0.450 1.00 0.00 ? 9 GLU A CD 4 ATOM 4402 O OE1 . GLU A 1 9 ? -15.477 -8.806 1.646 1.00 0.00 ? 9 GLU A OE1 4 ATOM 4403 O OE2 . GLU A 1 9 ? -16.104 -9.877 -0.169 1.00 0.00 ? 9 GLU A OE2 4 ATOM 4404 H H . GLU A 1 9 ? -18.491 -6.780 2.359 1.00 0.00 ? 9 GLU A H 4 ATOM 4405 H HA . GLU A 1 9 ? -15.692 -6.668 2.076 1.00 0.00 ? 9 GLU A HA 4 ATOM 4406 H HB2 . GLU A 1 9 ? -17.911 -7.064 0.390 1.00 0.00 ? 9 GLU A HB2 4 ATOM 4407 H HB3 . GLU A 1 9 ? -17.043 -5.688 -0.276 1.00 0.00 ? 9 GLU A HB3 4 ATOM 4408 H HG2 . GLU A 1 9 ? -16.256 -7.705 -1.306 1.00 0.00 ? 9 GLU A HG2 4 ATOM 4409 H HG3 . GLU A 1 9 ? -14.980 -7.029 -0.295 1.00 0.00 ? 9 GLU A HG3 4 ATOM 4410 N N . ILE A 1 10 ? -17.233 -3.826 2.174 1.00 0.00 ? 10 ILE A N 4 ATOM 4411 C CA . ILE A 1 10 ? -17.069 -2.382 2.238 1.00 0.00 ? 10 ILE A CA 4 ATOM 4412 C C . ILE A 1 10 ? -16.159 -2.001 3.412 1.00 0.00 ? 10 ILE A C 4 ATOM 4413 O O . ILE A 1 10 ? -15.244 -1.191 3.266 1.00 0.00 ? 10 ILE A O 4 ATOM 4414 C CB . ILE A 1 10 ? -18.472 -1.684 2.313 1.00 0.00 ? 10 ILE A CB 4 ATOM 4415 C CG1 . ILE A 1 10 ? -18.739 -0.912 1.021 1.00 0.00 ? 10 ILE A CG1 4 ATOM 4416 C CG2 . ILE A 1 10 ? -18.643 -0.757 3.521 1.00 0.00 ? 10 ILE A CG2 4 ATOM 4417 C CD1 . ILE A 1 10 ? -20.043 -1.291 0.353 1.00 0.00 ? 10 ILE A CD1 4 ATOM 4418 H H . ILE A 1 10 ? -18.091 -4.217 2.436 1.00 0.00 ? 10 ILE A H 4 ATOM 4419 H HA . ILE A 1 10 ? -16.588 -2.069 1.321 1.00 0.00 ? 10 ILE A HA 4 ATOM 4420 H HB . ILE A 1 10 ? -19.214 -2.461 2.399 1.00 0.00 ? 10 ILE A HB 4 ATOM 4421 H HG12 . ILE A 1 10 ? -18.774 0.145 1.240 1.00 0.00 ? 10 ILE A HG12 4 ATOM 4422 H HG13 . ILE A 1 10 ? -17.939 -1.104 0.320 1.00 0.00 ? 10 ILE A HG13 4 ATOM 4423 H HG21 . ILE A 1 10 ? -18.233 -1.228 4.400 1.00 0.00 ? 10 ILE A HG21 4 ATOM 4424 H HG22 . ILE A 1 10 ? -18.127 0.173 3.337 1.00 0.00 ? 10 ILE A HG22 4 ATOM 4425 H HG23 . ILE A 1 10 ? -19.693 -0.562 3.675 1.00 0.00 ? 10 ILE A HG23 4 ATOM 4426 H HD11 . ILE A 1 10 ? -20.731 -1.668 1.095 1.00 0.00 ? 10 ILE A HD11 4 ATOM 4427 H HD12 . ILE A 1 10 ? -20.470 -0.421 -0.124 1.00 0.00 ? 10 ILE A HD12 4 ATOM 4428 H HD13 . ILE A 1 10 ? -19.860 -2.054 -0.389 1.00 0.00 ? 10 ILE A HD13 4 ATOM 4429 N N . SER A 1 11 ? -16.419 -2.597 4.572 1.00 0.00 ? 11 SER A N 4 ATOM 4430 C CA . SER A 1 11 ? -15.626 -2.325 5.762 1.00 0.00 ? 11 SER A CA 4 ATOM 4431 C C . SER A 1 11 ? -14.200 -2.840 5.591 1.00 0.00 ? 11 SER A C 4 ATOM 4432 O O . SER A 1 11 ? -13.269 -2.341 6.225 1.00 0.00 ? 11 SER A O 4 ATOM 4433 C CB . SER A 1 11 ? -16.271 -2.972 6.990 1.00 0.00 ? 11 SER A CB 4 ATOM 4434 O OG . SER A 1 11 ? -17.225 -2.106 7.579 1.00 0.00 ? 11 SER A OG 4 ATOM 4435 H H . SER A 1 11 ? -17.160 -3.238 4.626 1.00 0.00 ? 11 SER A H 4 ATOM 4436 H HA . SER A 1 11 ? -15.595 -1.255 5.904 1.00 0.00 ? 11 SER A HA 4 ATOM 4437 H HB2 . SER A 1 11 ? -16.765 -3.886 6.695 1.00 0.00 ? 11 SER A HB2 4 ATOM 4438 H HB3 . SER A 1 11 ? -15.506 -3.195 7.720 1.00 0.00 ? 11 SER A HB3 4 ATOM 4439 H HG . SER A 1 11 ? -17.190 -2.193 8.535 1.00 0.00 ? 11 SER A HG 4 ATOM 4440 N N . HIS A 1 12 ? -14.037 -3.839 4.730 1.00 0.00 ? 12 HIS A N 4 ATOM 4441 C CA . HIS A 1 12 ? -12.724 -4.419 4.478 1.00 0.00 ? 12 HIS A CA 4 ATOM 4442 C C . HIS A 1 12 ? -11.910 -3.513 3.551 1.00 0.00 ? 12 HIS A C 4 ATOM 4443 O O . HIS A 1 12 ? -10.713 -3.320 3.760 1.00 0.00 ? 12 HIS A O 4 ATOM 4444 C CB . HIS A 1 12 ? -12.888 -5.855 3.923 1.00 0.00 ? 12 HIS A CB 4 ATOM 4445 C CG . HIS A 1 12 ? -12.141 -6.160 2.653 1.00 0.00 ? 12 HIS A CG 4 ATOM 4446 N ND1 . HIS A 1 12 ? -10.768 -6.278 2.595 1.00 0.00 ? 12 HIS A ND1 4 ATOM 4447 C CD2 . HIS A 1 12 ? -12.590 -6.374 1.395 1.00 0.00 ? 12 HIS A CD2 4 ATOM 4448 C CE1 . HIS A 1 12 ? -10.405 -6.549 1.353 1.00 0.00 ? 12 HIS A CE1 4 ATOM 4449 N NE2 . HIS A 1 12 ? -11.491 -6.613 0.606 1.00 0.00 ? 12 HIS A NE2 4 ATOM 4450 H H . HIS A 1 12 ? -14.815 -4.196 4.253 1.00 0.00 ? 12 HIS A H 4 ATOM 4451 H HA . HIS A 1 12 ? -12.212 -4.472 5.429 1.00 0.00 ? 12 HIS A HA 4 ATOM 4452 H HB2 . HIS A 1 12 ? -12.547 -6.554 4.669 1.00 0.00 ? 12 HIS A HB2 4 ATOM 4453 H HB3 . HIS A 1 12 ? -13.938 -6.033 3.736 1.00 0.00 ? 12 HIS A HB3 4 ATOM 4454 H HD1 . HIS A 1 12 ? -10.151 -6.177 3.349 1.00 0.00 ? 12 HIS A HD1 4 ATOM 4455 H HD2 . HIS A 1 12 ? -13.622 -6.356 1.072 1.00 0.00 ? 12 HIS A HD2 4 ATOM 4456 H HE1 . HIS A 1 12 ? -9.392 -6.696 1.008 1.00 0.00 ? 12 HIS A HE1 4 ATOM 4457 H HE2 . HIS A 1 12 ? -11.509 -6.802 -0.355 1.00 0.00 ? 12 HIS A HE2 4 ATOM 4458 N N . HIS A 1 13 ? -12.564 -2.952 2.537 1.00 0.00 ? 13 HIS A N 4 ATOM 4459 C CA . HIS A 1 13 ? -11.882 -2.060 1.606 1.00 0.00 ? 13 HIS A CA 4 ATOM 4460 C C . HIS A 1 13 ? -11.453 -0.786 2.319 1.00 0.00 ? 13 HIS A C 4 ATOM 4461 O O . HIS A 1 13 ? -10.478 -0.146 1.930 1.00 0.00 ? 13 HIS A O 4 ATOM 4462 C CB . HIS A 1 13 ? -12.782 -1.703 0.424 1.00 0.00 ? 13 HIS A CB 4 ATOM 4463 C CG . HIS A 1 13 ? -13.435 -2.877 -0.228 1.00 0.00 ? 13 HIS A CG 4 ATOM 4464 N ND1 . HIS A 1 13 ? -12.870 -4.134 -0.270 1.00 0.00 ? 13 HIS A ND1 4 ATOM 4465 C CD2 . HIS A 1 13 ? -14.616 -2.975 -0.876 1.00 0.00 ? 13 HIS A CD2 4 ATOM 4466 C CE1 . HIS A 1 13 ? -13.677 -4.955 -0.918 1.00 0.00 ? 13 HIS A CE1 4 ATOM 4467 N NE2 . HIS A 1 13 ? -14.744 -4.274 -1.296 1.00 0.00 ? 13 HIS A NE2 4 ATOM 4468 H H . HIS A 1 13 ? -13.520 -3.131 2.420 1.00 0.00 ? 13 HIS A H 4 ATOM 4469 H HA . HIS A 1 13 ? -11.002 -2.570 1.240 1.00 0.00 ? 13 HIS A HA 4 ATOM 4470 H HB2 . HIS A 1 13 ? -13.562 -1.043 0.766 1.00 0.00 ? 13 HIS A HB2 4 ATOM 4471 H HB3 . HIS A 1 13 ? -12.191 -1.193 -0.323 1.00 0.00 ? 13 HIS A HB3 4 ATOM 4472 H HD1 . HIS A 1 13 ? -12.004 -4.386 0.115 1.00 0.00 ? 13 HIS A HD1 4 ATOM 4473 H HD2 . HIS A 1 13 ? -15.324 -2.173 -1.034 1.00 0.00 ? 13 HIS A HD2 4 ATOM 4474 H HE1 . HIS A 1 13 ? -13.497 -6.003 -1.106 1.00 0.00 ? 13 HIS A HE1 4 ATOM 4475 H HE2 . HIS A 1 13 ? -15.504 -4.642 -1.794 1.00 0.00 ? 13 HIS A HE2 4 ATOM 4476 N N . ALA A 1 14 ? -12.192 -0.424 3.364 1.00 0.00 ? 14 ALA A N 4 ATOM 4477 C CA . ALA A 1 14 ? -11.887 0.773 4.137 1.00 0.00 ? 14 ALA A CA 4 ATOM 4478 C C . ALA A 1 14 ? -10.614 0.573 4.944 1.00 0.00 ? 14 ALA A C 4 ATOM 4479 O O . ALA A 1 14 ? -9.656 1.335 4.813 1.00 0.00 ? 14 ALA A O 4 ATOM 4480 C CB . ALA A 1 14 ? -13.048 1.126 5.055 1.00 0.00 ? 14 ALA A CB 4 ATOM 4481 H H . ALA A 1 14 ? -12.959 -0.977 3.623 1.00 0.00 ? 14 ALA A H 4 ATOM 4482 H HA . ALA A 1 14 ? -11.740 1.590 3.445 1.00 0.00 ? 14 ALA A HA 4 ATOM 4483 H HB1 . ALA A 1 14 ? -13.799 0.351 4.999 1.00 0.00 ? 14 ALA A HB1 4 ATOM 4484 H HB2 . ALA A 1 14 ? -13.479 2.067 4.746 1.00 0.00 ? 14 ALA A HB2 4 ATOM 4485 H HB3 . ALA A 1 14 ? -12.693 1.210 6.071 1.00 0.00 ? 14 ALA A HB3 4 ATOM 4486 N N . LYS A 1 15 ? -10.603 -0.470 5.766 1.00 0.00 ? 15 LYS A N 4 ATOM 4487 C CA . LYS A 1 15 ? -9.435 -0.783 6.575 1.00 0.00 ? 15 LYS A CA 4 ATOM 4488 C C . LYS A 1 15 ? -8.294 -1.288 5.694 1.00 0.00 ? 15 LYS A C 4 ATOM 4489 O O . LYS A 1 15 ? -7.149 -1.378 6.139 1.00 0.00 ? 15 LYS A O 4 ATOM 4490 C CB . LYS A 1 15 ? -9.786 -1.830 7.632 1.00 0.00 ? 15 LYS A CB 4 ATOM 4491 C CG . LYS A 1 15 ? -9.057 -1.631 8.951 1.00 0.00 ? 15 LYS A CG 4 ATOM 4492 C CD . LYS A 1 15 ? -9.771 -2.333 10.095 1.00 0.00 ? 15 LYS A CD 4 ATOM 4493 C CE . LYS A 1 15 ? -9.339 -1.783 11.443 1.00 0.00 ? 15 LYS A CE 4 ATOM 4494 N NZ . LYS A 1 15 ? -10.502 -1.340 12.261 1.00 0.00 ? 15 LYS A NZ 4 ATOM 4495 H H . LYS A 1 15 ? -11.392 -1.053 5.816 1.00 0.00 ? 15 LYS A H 4 ATOM 4496 H HA . LYS A 1 15 ? -9.121 0.126 7.068 1.00 0.00 ? 15 LYS A HA 4 ATOM 4497 H HB2 . LYS A 1 15 ? -10.848 -1.792 7.824 1.00 0.00 ? 15 LYS A HB2 4 ATOM 4498 H HB3 . LYS A 1 15 ? -9.532 -2.809 7.252 1.00 0.00 ? 15 LYS A HB3 4 ATOM 4499 H HG2 . LYS A 1 15 ? -8.058 -2.030 8.864 1.00 0.00 ? 15 LYS A HG2 4 ATOM 4500 H HG3 . LYS A 1 15 ? -9.006 -0.573 9.166 1.00 0.00 ? 15 LYS A HG3 4 ATOM 4501 H HD2 . LYS A 1 15 ? -10.835 -2.190 9.983 1.00 0.00 ? 15 LYS A HD2 4 ATOM 4502 H HD3 . LYS A 1 15 ? -9.542 -3.388 10.055 1.00 0.00 ? 15 LYS A HD3 4 ATOM 4503 H HE2 . LYS A 1 15 ? -8.808 -2.555 11.980 1.00 0.00 ? 15 LYS A HE2 4 ATOM 4504 H HE3 . LYS A 1 15 ? -8.683 -0.941 11.281 1.00 0.00 ? 15 LYS A HE3 4 ATOM 4505 H HZ1 . LYS A 1 15 ? -11.149 -0.767 11.683 1.00 0.00 ? 15 LYS A HZ1 4 ATOM 4506 H HZ2 . LYS A 1 15 ? -11.020 -2.166 12.624 1.00 0.00 ? 15 LYS A HZ2 4 ATOM 4507 H HZ3 . LYS A 1 15 ? -10.176 -0.768 13.067 1.00 0.00 ? 15 LYS A HZ3 4 ATOM 4508 N N . GLU A 1 16 ? -8.611 -1.615 4.440 1.00 0.00 ? 16 GLU A N 4 ATOM 4509 C CA . GLU A 1 16 ? -7.612 -2.107 3.504 1.00 0.00 ? 16 GLU A CA 4 ATOM 4510 C C . GLU A 1 16 ? -6.905 -0.950 2.811 1.00 0.00 ? 16 GLU A C 4 ATOM 4511 O O . GLU A 1 16 ? -5.725 -1.048 2.480 1.00 0.00 ? 16 GLU A O 4 ATOM 4512 C CB . GLU A 1 16 ? -8.261 -3.023 2.465 1.00 0.00 ? 16 GLU A CB 4 ATOM 4513 C CG . GLU A 1 16 ? -7.274 -3.596 1.461 1.00 0.00 ? 16 GLU A CG 4 ATOM 4514 C CD . GLU A 1 16 ? -6.606 -4.863 1.957 1.00 0.00 ? 16 GLU A CD 4 ATOM 4515 O OE1 . GLU A 1 16 ? -6.544 -5.057 3.189 1.00 0.00 ? 16 GLU A OE1 4 ATOM 4516 O OE2 . GLU A 1 16 ? -6.145 -5.661 1.113 1.00 0.00 ? 16 GLU A OE2 4 ATOM 4517 H H . GLU A 1 16 ? -9.535 -1.524 4.136 1.00 0.00 ? 16 GLU A H 4 ATOM 4518 H HA . GLU A 1 16 ? -6.883 -2.672 4.065 1.00 0.00 ? 16 GLU A HA 4 ATOM 4519 H HB2 . GLU A 1 16 ? -8.739 -3.845 2.975 1.00 0.00 ? 16 GLU A HB2 4 ATOM 4520 H HB3 . GLU A 1 16 ? -9.007 -2.463 1.923 1.00 0.00 ? 16 GLU A HB3 4 ATOM 4521 H HG2 . GLU A 1 16 ? -7.802 -3.821 0.546 1.00 0.00 ? 16 GLU A HG2 4 ATOM 4522 H HG3 . GLU A 1 16 ? -6.511 -2.857 1.262 1.00 0.00 ? 16 GLU A HG3 4 ATOM 4523 N N . ILE A 1 17 ? -7.624 0.151 2.598 1.00 0.00 ? 17 ILE A N 4 ATOM 4524 C CA . ILE A 1 17 ? -7.039 1.320 1.951 1.00 0.00 ? 17 ILE A CA 4 ATOM 4525 C C . ILE A 1 17 ? -6.162 2.088 2.933 1.00 0.00 ? 17 ILE A C 4 ATOM 4526 O O . ILE A 1 17 ? -5.102 2.597 2.568 1.00 0.00 ? 17 ILE A O 4 ATOM 4527 C CB . ILE A 1 17 ? -8.125 2.257 1.378 1.00 0.00 ? 17 ILE A CB 4 ATOM 4528 C CG1 . ILE A 1 17 ? -7.491 3.510 0.758 1.00 0.00 ? 17 ILE A CG1 4 ATOM 4529 C CG2 . ILE A 1 17 ? -9.136 2.629 2.455 1.00 0.00 ? 17 ILE A CG2 4 ATOM 4530 C CD1 . ILE A 1 17 ? -7.106 4.578 1.763 1.00 0.00 ? 17 ILE A CD1 4 ATOM 4531 H H . ILE A 1 17 ? -8.565 0.180 2.888 1.00 0.00 ? 17 ILE A H 4 ATOM 4532 H HA . ILE A 1 17 ? -6.421 0.977 1.133 1.00 0.00 ? 17 ILE A HA 4 ATOM 4533 H HB . ILE A 1 17 ? -8.653 1.717 0.606 1.00 0.00 ? 17 ILE A HB 4 ATOM 4534 H HG12 . ILE A 1 17 ? -6.597 3.225 0.225 1.00 0.00 ? 17 ILE A HG12 4 ATOM 4535 H HG13 . ILE A 1 17 ? -8.192 3.949 0.062 1.00 0.00 ? 17 ILE A HG13 4 ATOM 4536 H HG21 . ILE A 1 17 ? -8.614 2.932 3.351 1.00 0.00 ? 17 ILE A HG21 4 ATOM 4537 H HG22 . ILE A 1 17 ? -9.752 3.445 2.104 1.00 0.00 ? 17 ILE A HG22 4 ATOM 4538 H HG23 . ILE A 1 17 ? -9.761 1.777 2.673 1.00 0.00 ? 17 ILE A HG23 4 ATOM 4539 H HD11 . ILE A 1 17 ? -7.321 4.226 2.762 1.00 0.00 ? 17 ILE A HD11 4 ATOM 4540 H HD12 . ILE A 1 17 ? -6.052 4.792 1.675 1.00 0.00 ? 17 ILE A HD12 4 ATOM 4541 H HD13 . ILE A 1 17 ? -7.673 5.477 1.569 1.00 0.00 ? 17 ILE A HD13 4 ATOM 4542 N N . GLU A 1 18 ? -6.603 2.155 4.184 1.00 0.00 ? 18 GLU A N 4 ATOM 4543 C CA . GLU A 1 18 ? -5.848 2.847 5.219 1.00 0.00 ? 18 GLU A CA 4 ATOM 4544 C C . GLU A 1 18 ? -4.665 2.000 5.671 1.00 0.00 ? 18 GLU A C 4 ATOM 4545 O O . GLU A 1 18 ? -3.580 2.518 5.938 1.00 0.00 ? 18 GLU A O 4 ATOM 4546 C CB . GLU A 1 18 ? -6.749 3.170 6.413 1.00 0.00 ? 18 GLU A CB 4 ATOM 4547 C CG . GLU A 1 18 ? -6.663 4.618 6.867 1.00 0.00 ? 18 GLU A CG 4 ATOM 4548 C CD . GLU A 1 18 ? -5.527 4.856 7.842 1.00 0.00 ? 18 GLU A CD 4 ATOM 4549 O OE1 . GLU A 1 18 ? -4.415 4.344 7.594 1.00 0.00 ? 18 GLU A OE1 4 ATOM 4550 O OE2 . GLU A 1 18 ? -5.748 5.555 8.852 1.00 0.00 ? 18 GLU A OE2 4 ATOM 4551 H H . GLU A 1 18 ? -7.451 1.719 4.419 1.00 0.00 ? 18 GLU A H 4 ATOM 4552 H HA . GLU A 1 18 ? -5.476 3.770 4.798 1.00 0.00 ? 18 GLU A HA 4 ATOM 4553 H HB2 . GLU A 1 18 ? -7.773 2.960 6.142 1.00 0.00 ? 18 GLU A HB2 4 ATOM 4554 H HB3 . GLU A 1 18 ? -6.468 2.537 7.242 1.00 0.00 ? 18 GLU A HB3 4 ATOM 4555 H HG2 . GLU A 1 18 ? -6.511 5.245 6.001 1.00 0.00 ? 18 GLU A HG2 4 ATOM 4556 H HG3 . GLU A 1 18 ? -7.592 4.886 7.347 1.00 0.00 ? 18 GLU A HG3 4 ATOM 4557 N N . ARG A 1 19 ? -4.881 0.690 5.747 1.00 0.00 ? 19 ARG A N 4 ATOM 4558 C CA . ARG A 1 19 ? -3.833 -0.233 6.160 1.00 0.00 ? 19 ARG A CA 4 ATOM 4559 C C . ARG A 1 19 ? -2.797 -0.398 5.056 1.00 0.00 ? 19 ARG A C 4 ATOM 4560 O O . ARG A 1 19 ? -1.621 -0.643 5.327 1.00 0.00 ? 19 ARG A O 4 ATOM 4561 C CB . ARG A 1 19 ? -4.432 -1.592 6.524 1.00 0.00 ? 19 ARG A CB 4 ATOM 4562 C CG . ARG A 1 19 ? -3.395 -2.620 6.946 1.00 0.00 ? 19 ARG A CG 4 ATOM 4563 C CD . ARG A 1 19 ? -3.490 -2.929 8.432 1.00 0.00 ? 19 ARG A CD 4 ATOM 4564 N NE . ARG A 1 19 ? -2.175 -2.976 9.066 1.00 0.00 ? 19 ARG A NE 4 ATOM 4565 C CZ . ARG A 1 19 ? -1.970 -3.412 10.304 1.00 0.00 ? 19 ARG A CZ 4 ATOM 4566 N NH1 . ARG A 1 19 ? -2.990 -3.837 11.037 1.00 0.00 ? 19 ARG A NH1 4 ATOM 4567 N NH2 . ARG A 1 19 ? -0.745 -3.424 10.811 1.00 0.00 ? 19 ARG A NH2 4 ATOM 4568 H H . ARG A 1 19 ? -5.766 0.336 5.515 1.00 0.00 ? 19 ARG A H 4 ATOM 4569 H HA . ARG A 1 19 ? -3.349 0.184 7.030 1.00 0.00 ? 19 ARG A HA 4 ATOM 4570 H HB2 . ARG A 1 19 ? -5.128 -1.459 7.339 1.00 0.00 ? 19 ARG A HB2 4 ATOM 4571 H HB3 . ARG A 1 19 ? -4.964 -1.980 5.668 1.00 0.00 ? 19 ARG A HB3 4 ATOM 4572 H HG2 . ARG A 1 19 ? -3.558 -3.531 6.389 1.00 0.00 ? 19 ARG A HG2 4 ATOM 4573 H HG3 . ARG A 1 19 ? -2.411 -2.234 6.729 1.00 0.00 ? 19 ARG A HG3 4 ATOM 4574 H HD2 . ARG A 1 19 ? -4.081 -2.163 8.909 1.00 0.00 ? 19 ARG A HD2 4 ATOM 4575 H HD3 . ARG A 1 19 ? -3.974 -3.887 8.557 1.00 0.00 ? 19 ARG A HD3 4 ATOM 4576 H HE . ARG A 1 19 ? -1.407 -2.667 8.541 1.00 0.00 ? 19 ARG A HE 4 ATOM 4577 H HH11 . ARG A 1 19 ? -3.916 -3.829 10.658 1.00 0.00 ? 19 ARG A HH11 4 ATOM 4578 H HH12 . ARG A 1 19 ? -2.834 -4.164 11.969 1.00 0.00 ? 19 ARG A HH12 4 ATOM 4579 H HH21 . ARG A 1 19 ? 0.026 -3.104 10.260 1.00 0.00 ? 19 ARG A HH21 4 ATOM 4580 H HH22 . ARG A 1 19 ? -0.593 -3.752 11.743 1.00 0.00 ? 19 ARG A HH22 4 ATOM 4581 N N . LEU A 1 20 ? -3.236 -0.254 3.808 1.00 0.00 ? 20 LEU A N 4 ATOM 4582 C CA . LEU A 1 20 ? -2.336 -0.379 2.671 1.00 0.00 ? 20 LEU A CA 4 ATOM 4583 C C . LEU A 1 20 ? -1.413 0.829 2.602 1.00 0.00 ? 20 LEU A C 4 ATOM 4584 O O . LEU A 1 20 ? -0.228 0.700 2.299 1.00 0.00 ? 20 LEU A O 4 ATOM 4585 C CB . LEU A 1 20 ? -3.128 -0.509 1.369 1.00 0.00 ? 20 LEU A CB 4 ATOM 4586 C CG . LEU A 1 20 ? -3.371 -1.945 0.892 1.00 0.00 ? 20 LEU A CG 4 ATOM 4587 C CD1 . LEU A 1 20 ? -2.130 -2.496 0.208 1.00 0.00 ? 20 LEU A CD1 4 ATOM 4588 C CD2 . LEU A 1 20 ? -3.782 -2.839 2.054 1.00 0.00 ? 20 LEU A CD2 4 ATOM 4589 H H . LEU A 1 20 ? -4.182 -0.051 3.652 1.00 0.00 ? 20 LEU A H 4 ATOM 4590 H HA . LEU A 1 20 ? -1.740 -1.268 2.815 1.00 0.00 ? 20 LEU A HA 4 ATOM 4591 H HB2 . LEU A 1 20 ? -4.084 -0.027 1.502 1.00 0.00 ? 20 LEU A HB2 4 ATOM 4592 H HB3 . LEU A 1 20 ? -2.589 0.012 0.594 1.00 0.00 ? 20 LEU A HB3 4 ATOM 4593 H HG . LEU A 1 20 ? -4.175 -1.944 0.169 1.00 0.00 ? 20 LEU A HG 4 ATOM 4594 H HD11 . LEU A 1 20 ? -1.273 -2.353 0.849 1.00 0.00 ? 20 LEU A HD11 4 ATOM 4595 H HD12 . LEU A 1 20 ? -2.263 -3.551 0.016 1.00 0.00 ? 20 LEU A HD12 4 ATOM 4596 H HD13 . LEU A 1 20 ? -1.972 -1.977 -0.725 1.00 0.00 ? 20 LEU A HD13 4 ATOM 4597 H HD21 . LEU A 1 20 ? -3.947 -2.235 2.933 1.00 0.00 ? 20 LEU A HD21 4 ATOM 4598 H HD22 . LEU A 1 20 ? -4.692 -3.362 1.801 1.00 0.00 ? 20 LEU A HD22 4 ATOM 4599 H HD23 . LEU A 1 20 ? -2.998 -3.554 2.251 1.00 0.00 ? 20 LEU A HD23 4 ATOM 4600 N N . GLN A 1 21 ? -1.966 2.003 2.896 1.00 0.00 ? 21 GLN A N 4 ATOM 4601 C CA . GLN A 1 21 ? -1.190 3.236 2.877 1.00 0.00 ? 21 GLN A CA 4 ATOM 4602 C C . GLN A 1 21 ? -0.067 3.177 3.906 1.00 0.00 ? 21 GLN A C 4 ATOM 4603 O O . GLN A 1 21 ? 1.083 3.498 3.604 1.00 0.00 ? 21 GLN A O 4 ATOM 4604 C CB . GLN A 1 21 ? -2.095 4.438 3.158 1.00 0.00 ? 21 GLN A CB 4 ATOM 4605 C CG . GLN A 1 21 ? -1.716 5.681 2.371 1.00 0.00 ? 21 GLN A CG 4 ATOM 4606 C CD . GLN A 1 21 ? -2.299 6.948 2.966 1.00 0.00 ? 21 GLN A CD 4 ATOM 4607 O OE1 . GLN A 1 21 ? -1.592 7.936 3.166 1.00 0.00 ? 21 GLN A OE1 4 ATOM 4608 N NE2 . GLN A 1 21 ? -3.595 6.924 3.255 1.00 0.00 ? 21 GLN A NE2 4 ATOM 4609 H H . GLN A 1 21 ? -2.916 2.039 3.137 1.00 0.00 ? 21 GLN A H 4 ATOM 4610 H HA . GLN A 1 21 ? -0.758 3.343 1.893 1.00 0.00 ? 21 GLN A HA 4 ATOM 4611 H HB2 . GLN A 1 21 ? -3.112 4.174 2.906 1.00 0.00 ? 21 GLN A HB2 4 ATOM 4612 H HB3 . GLN A 1 21 ? -2.044 4.674 4.211 1.00 0.00 ? 21 GLN A HB3 4 ATOM 4613 H HG2 . GLN A 1 21 ? -0.641 5.770 2.358 1.00 0.00 ? 21 GLN A HG2 4 ATOM 4614 H HG3 . GLN A 1 21 ? -2.080 5.576 1.360 1.00 0.00 ? 21 GLN A HG3 4 ATOM 4615 H HE21 . GLN A 1 21 ? -4.096 6.103 3.070 1.00 0.00 ? 21 GLN A HE21 4 ATOM 4616 H HE22 . GLN A 1 21 ? -3.998 7.729 3.641 1.00 0.00 ? 21 GLN A HE22 4 ATOM 4617 N N . LYS A 1 22 ? -0.405 2.760 5.123 1.00 0.00 ? 22 LYS A N 4 ATOM 4618 C CA . LYS A 1 22 ? 0.581 2.655 6.191 1.00 0.00 ? 22 LYS A CA 4 ATOM 4619 C C . LYS A 1 22 ? 1.652 1.629 5.835 1.00 0.00 ? 22 LYS A C 4 ATOM 4620 O O . LYS A 1 22 ? 2.818 1.778 6.202 1.00 0.00 ? 22 LYS A O 4 ATOM 4621 C CB . LYS A 1 22 ? -0.097 2.268 7.506 1.00 0.00 ? 22 LYS A CB 4 ATOM 4622 C CG . LYS A 1 22 ? 0.356 3.102 8.693 1.00 0.00 ? 22 LYS A CG 4 ATOM 4623 C CD . LYS A 1 22 ? 1.584 2.503 9.358 1.00 0.00 ? 22 LYS A CD 4 ATOM 4624 C CE . LYS A 1 22 ? 1.208 1.399 10.332 1.00 0.00 ? 22 LYS A CE 4 ATOM 4625 N NZ . LYS A 1 22 ? 2.302 0.402 10.491 1.00 0.00 ? 22 LYS A NZ 4 ATOM 4626 H H . LYS A 1 22 ? -1.338 2.512 5.305 1.00 0.00 ? 22 LYS A H 4 ATOM 4627 H HA . LYS A 1 22 ? 1.049 3.622 6.307 1.00 0.00 ? 22 LYS A HA 4 ATOM 4628 H HB2 . LYS A 1 22 ? -1.165 2.387 7.395 1.00 0.00 ? 22 LYS A HB2 4 ATOM 4629 H HB3 . LYS A 1 22 ? 0.120 1.231 7.718 1.00 0.00 ? 22 LYS A HB3 4 ATOM 4630 H HG2 . LYS A 1 22 ? 0.593 4.098 8.352 1.00 0.00 ? 22 LYS A HG2 4 ATOM 4631 H HG3 . LYS A 1 22 ? -0.447 3.148 9.415 1.00 0.00 ? 22 LYS A HG3 4 ATOM 4632 H HD2 . LYS A 1 22 ? 2.230 2.092 8.596 1.00 0.00 ? 22 LYS A HD2 4 ATOM 4633 H HD3 . LYS A 1 22 ? 2.107 3.282 9.893 1.00 0.00 ? 22 LYS A HD3 4 ATOM 4634 H HE2 . LYS A 1 22 ? 0.996 1.843 11.294 1.00 0.00 ? 22 LYS A HE2 4 ATOM 4635 H HE3 . LYS A 1 22 ? 0.325 0.898 9.966 1.00 0.00 ? 22 LYS A HE3 4 ATOM 4636 H HZ1 . LYS A 1 22 ? 2.843 0.320 9.606 1.00 0.00 ? 22 LYS A HZ1 4 ATOM 4637 H HZ2 . LYS A 1 22 ? 2.948 0.697 11.252 1.00 0.00 ? 22 LYS A HZ2 4 ATOM 4638 H HZ3 . LYS A 1 22 ? 1.906 -0.530 10.730 1.00 0.00 ? 22 LYS A HZ3 4 ATOM 4639 N N . GLU A 1 23 ? 1.245 0.588 5.116 1.00 0.00 ? 23 GLU A N 4 ATOM 4640 C CA . GLU A 1 23 ? 2.165 -0.466 4.705 1.00 0.00 ? 23 GLU A CA 4 ATOM 4641 C C . GLU A 1 23 ? 3.186 0.060 3.701 1.00 0.00 ? 23 GLU A C 4 ATOM 4642 O O . GLU A 1 23 ? 4.351 -0.341 3.719 1.00 0.00 ? 23 GLU A O 4 ATOM 4643 C CB . GLU A 1 23 ? 1.392 -1.638 4.097 1.00 0.00 ? 23 GLU A CB 4 ATOM 4644 C CG . GLU A 1 23 ? 2.058 -2.986 4.319 1.00 0.00 ? 23 GLU A CG 4 ATOM 4645 C CD . GLU A 1 23 ? 1.924 -3.475 5.749 1.00 0.00 ? 23 GLU A CD 4 ATOM 4646 O OE1 . GLU A 1 23 ? 1.783 -2.626 6.655 1.00 0.00 ? 23 GLU A OE1 4 ATOM 4647 O OE2 . GLU A 1 23 ? 1.958 -4.705 5.961 1.00 0.00 ? 23 GLU A OE2 4 ATOM 4648 H H . GLU A 1 23 ? 0.303 0.528 4.853 1.00 0.00 ? 23 GLU A H 4 ATOM 4649 H HA . GLU A 1 23 ? 2.688 -0.809 5.585 1.00 0.00 ? 23 GLU A HA 4 ATOM 4650 H HB2 . GLU A 1 23 ? 0.406 -1.670 4.538 1.00 0.00 ? 23 GLU A HB2 4 ATOM 4651 H HB3 . GLU A 1 23 ? 1.296 -1.478 3.034 1.00 0.00 ? 23 GLU A HB3 4 ATOM 4652 H HG2 . GLU A 1 23 ? 1.601 -3.712 3.663 1.00 0.00 ? 23 GLU A HG2 4 ATOM 4653 H HG3 . GLU A 1 23 ? 3.108 -2.897 4.082 1.00 0.00 ? 23 GLU A HG3 4 ATOM 4654 N N . ILE A 1 24 ? 2.746 0.962 2.828 1.00 0.00 ? 24 ILE A N 4 ATOM 4655 C CA . ILE A 1 24 ? 3.635 1.536 1.824 1.00 0.00 ? 24 ILE A CA 4 ATOM 4656 C C . ILE A 1 24 ? 4.718 2.377 2.501 1.00 0.00 ? 24 ILE A C 4 ATOM 4657 O O . ILE A 1 24 ? 5.887 2.334 2.117 1.00 0.00 ? 24 ILE A O 4 ATOM 4658 C CB . ILE A 1 24 ? 2.861 2.373 0.752 1.00 0.00 ? 24 ILE A CB 4 ATOM 4659 C CG1 . ILE A 1 24 ? 2.793 3.866 1.108 1.00 0.00 ? 24 ILE A CG1 4 ATOM 4660 C CG2 . ILE A 1 24 ? 1.453 1.827 0.551 1.00 0.00 ? 24 ILE A CG2 4 ATOM 4661 C CD1 . ILE A 1 24 ? 4.038 4.629 0.711 1.00 0.00 ? 24 ILE A CD1 4 ATOM 4662 H H . ILE A 1 24 ? 1.810 1.247 2.865 1.00 0.00 ? 24 ILE A H 4 ATOM 4663 H HA . ILE A 1 24 ? 4.118 0.711 1.314 1.00 0.00 ? 24 ILE A HA 4 ATOM 4664 H HB . ILE A 1 24 ? 3.385 2.266 -0.187 1.00 0.00 ? 24 ILE A HB 4 ATOM 4665 H HG12 . ILE A 1 24 ? 1.953 4.315 0.599 1.00 0.00 ? 24 ILE A HG12 4 ATOM 4666 H HG13 . ILE A 1 24 ? 2.662 3.972 2.174 1.00 0.00 ? 24 ILE A HG13 4 ATOM 4667 H HG21 . ILE A 1 24 ? 1.441 0.771 0.777 1.00 0.00 ? 24 ILE A HG21 4 ATOM 4668 H HG22 . ILE A 1 24 ? 0.771 2.344 1.210 1.00 0.00 ? 24 ILE A HG22 4 ATOM 4669 H HG23 . ILE A 1 24 ? 1.150 1.979 -0.473 1.00 0.00 ? 24 ILE A HG23 4 ATOM 4670 H HD11 . ILE A 1 24 ? 4.745 3.949 0.252 1.00 0.00 ? 24 ILE A HD11 4 ATOM 4671 H HD12 . ILE A 1 24 ? 3.777 5.405 0.008 1.00 0.00 ? 24 ILE A HD12 4 ATOM 4672 H HD13 . ILE A 1 24 ? 4.484 5.073 1.589 1.00 0.00 ? 24 ILE A HD13 4 ATOM 4673 N N . GLU A 1 25 ? 4.313 3.134 3.517 1.00 0.00 ? 25 GLU A N 4 ATOM 4674 C CA . GLU A 1 25 ? 5.238 3.979 4.259 1.00 0.00 ? 25 GLU A CA 4 ATOM 4675 C C . GLU A 1 25 ? 6.345 3.138 4.882 1.00 0.00 ? 25 GLU A C 4 ATOM 4676 O O . GLU A 1 25 ? 7.518 3.506 4.839 1.00 0.00 ? 25 GLU A O 4 ATOM 4677 C CB . GLU A 1 25 ? 4.494 4.756 5.347 1.00 0.00 ? 25 GLU A CB 4 ATOM 4678 C CG . GLU A 1 25 ? 5.324 5.861 5.981 1.00 0.00 ? 25 GLU A CG 4 ATOM 4679 C CD . GLU A 1 25 ? 5.033 7.224 5.386 1.00 0.00 ? 25 GLU A CD 4 ATOM 4680 O OE1 . GLU A 1 25 ? 5.019 7.338 4.142 1.00 0.00 ? 25 GLU A OE1 4 ATOM 4681 O OE2 . GLU A 1 25 ? 4.818 8.177 6.163 1.00 0.00 ? 25 GLU A OE2 4 ATOM 4682 H H . GLU A 1 25 ? 3.367 3.118 3.776 1.00 0.00 ? 25 GLU A H 4 ATOM 4683 H HA . GLU A 1 25 ? 5.679 4.679 3.565 1.00 0.00 ? 25 GLU A HA 4 ATOM 4684 H HB2 . GLU A 1 25 ? 3.611 5.202 4.916 1.00 0.00 ? 25 GLU A HB2 4 ATOM 4685 H HB3 . GLU A 1 25 ? 4.196 4.068 6.125 1.00 0.00 ? 25 GLU A HB3 4 ATOM 4686 H HG2 . GLU A 1 25 ? 5.110 5.893 7.039 1.00 0.00 ? 25 GLU A HG2 4 ATOM 4687 H HG3 . GLU A 1 25 ? 6.371 5.636 5.834 1.00 0.00 ? 25 GLU A HG3 4 ATOM 4688 N N . ARG A 1 26 ? 5.964 1.999 5.453 1.00 0.00 ? 26 ARG A N 4 ATOM 4689 C CA . ARG A 1 26 ? 6.928 1.101 6.074 1.00 0.00 ? 26 ARG A CA 4 ATOM 4690 C C . ARG A 1 26 ? 8.008 0.718 5.072 1.00 0.00 ? 26 ARG A C 4 ATOM 4691 O O . ARG A 1 26 ? 9.204 0.837 5.351 1.00 0.00 ? 26 ARG A O 4 ATOM 4692 C CB . ARG A 1 26 ? 6.227 -0.155 6.597 1.00 0.00 ? 26 ARG A CB 4 ATOM 4693 C CG . ARG A 1 26 ? 7.168 -1.141 7.268 1.00 0.00 ? 26 ARG A CG 4 ATOM 4694 C CD . ARG A 1 26 ? 6.562 -1.714 8.539 1.00 0.00 ? 26 ARG A CD 4 ATOM 4695 N NE . ARG A 1 26 ? 6.722 -0.814 9.677 1.00 0.00 ? 26 ARG A NE 4 ATOM 4696 C CZ . ARG A 1 26 ? 6.605 -1.199 10.944 1.00 0.00 ? 26 ARG A CZ 4 ATOM 4697 N NH1 . ARG A 1 26 ? 6.329 -2.463 11.231 1.00 0.00 ? 26 ARG A NH1 4 ATOM 4698 N NH2 . ARG A 1 26 ? 6.766 -0.320 11.924 1.00 0.00 ? 26 ARG A NH2 4 ATOM 4699 H H . ARG A 1 26 ? 5.013 1.755 5.451 1.00 0.00 ? 26 ARG A H 4 ATOM 4700 H HA . ARG A 1 26 ? 7.385 1.622 6.902 1.00 0.00 ? 26 ARG A HA 4 ATOM 4701 H HB2 . ARG A 1 26 ? 5.475 0.138 7.315 1.00 0.00 ? 26 ARG A HB2 4 ATOM 4702 H HB3 . ARG A 1 26 ? 5.746 -0.656 5.769 1.00 0.00 ? 26 ARG A HB3 4 ATOM 4703 H HG2 . ARG A 1 26 ? 7.376 -1.951 6.585 1.00 0.00 ? 26 ARG A HG2 4 ATOM 4704 H HG3 . ARG A 1 26 ? 8.089 -0.634 7.518 1.00 0.00 ? 26 ARG A HG3 4 ATOM 4705 H HD2 . ARG A 1 26 ? 5.508 -1.885 8.375 1.00 0.00 ? 26 ARG A HD2 4 ATOM 4706 H HD3 . ARG A 1 26 ? 7.046 -2.653 8.764 1.00 0.00 ? 26 ARG A HD3 4 ATOM 4707 H HE . ARG A 1 26 ? 6.928 0.126 9.487 1.00 0.00 ? 26 ARG A HE 4 ATOM 4708 H HH11 . ARG A 1 26 ? 6.207 -3.128 10.494 1.00 0.00 ? 26 ARG A HH11 4 ATOM 4709 H HH12 . ARG A 1 26 ? 6.241 -2.751 12.184 1.00 0.00 ? 26 ARG A HH12 4 ATOM 4710 H HH21 . ARG A 1 26 ? 6.976 0.634 11.710 1.00 0.00 ? 26 ARG A HH21 4 ATOM 4711 H HH22 . ARG A 1 26 ? 6.678 -0.612 12.875 1.00 0.00 ? 26 ARG A HH22 4 ATOM 4712 N N . HIS A 1 27 ? 7.580 0.271 3.896 1.00 0.00 ? 27 HIS A N 4 ATOM 4713 C CA . HIS A 1 27 ? 8.511 -0.114 2.846 1.00 0.00 ? 27 HIS A CA 4 ATOM 4714 C C . HIS A 1 27 ? 9.348 1.084 2.413 1.00 0.00 ? 27 HIS A C 4 ATOM 4715 O O . HIS A 1 27 ? 10.460 0.929 1.911 1.00 0.00 ? 27 HIS A O 4 ATOM 4716 C CB . HIS A 1 27 ? 7.757 -0.692 1.647 1.00 0.00 ? 27 HIS A CB 4 ATOM 4717 C CG . HIS A 1 27 ? 7.700 -2.189 1.645 1.00 0.00 ? 27 HIS A CG 4 ATOM 4718 N ND1 . HIS A 1 27 ? 8.819 -2.984 1.785 1.00 0.00 ? 27 HIS A ND1 4 ATOM 4719 C CD2 . HIS A 1 27 ? 6.651 -3.036 1.521 1.00 0.00 ? 27 HIS A CD2 4 ATOM 4720 C CE1 . HIS A 1 27 ? 8.459 -4.255 1.746 1.00 0.00 ? 27 HIS A CE1 4 ATOM 4721 N NE2 . HIS A 1 27 ? 7.151 -4.313 1.587 1.00 0.00 ? 27 HIS A NE2 4 ATOM 4722 H H . HIS A 1 27 ? 6.614 0.209 3.729 1.00 0.00 ? 27 HIS A H 4 ATOM 4723 H HA . HIS A 1 27 ? 9.169 -0.872 3.247 1.00 0.00 ? 27 HIS A HA 4 ATOM 4724 H HB2 . HIS A 1 27 ? 6.743 -0.321 1.655 1.00 0.00 ? 27 HIS A HB2 4 ATOM 4725 H HB3 . HIS A 1 27 ? 8.244 -0.375 0.738 1.00 0.00 ? 27 HIS A HB3 4 ATOM 4726 H HD1 . HIS A 1 27 ? 9.739 -2.664 1.894 1.00 0.00 ? 27 HIS A HD1 4 ATOM 4727 H HD2 . HIS A 1 27 ? 5.615 -2.758 1.393 1.00 0.00 ? 27 HIS A HD2 4 ATOM 4728 H HE1 . HIS A 1 27 ? 9.125 -5.103 1.831 1.00 0.00 ? 27 HIS A HE1 4 ATOM 4729 H HE2 . HIS A 1 27 ? 6.623 -5.136 1.528 1.00 0.00 ? 27 HIS A HE2 4 ATOM 4730 N N . LYS A 1 28 ? 8.805 2.283 2.620 1.00 0.00 ? 28 LYS A N 4 ATOM 4731 C CA . LYS A 1 28 ? 9.501 3.512 2.260 1.00 0.00 ? 28 LYS A CA 4 ATOM 4732 C C . LYS A 1 28 ? 10.627 3.800 3.245 1.00 0.00 ? 28 LYS A C 4 ATOM 4733 O O . LYS A 1 28 ? 11.641 4.400 2.889 1.00 0.00 ? 28 LYS A O 4 ATOM 4734 C CB . LYS A 1 28 ? 8.521 4.687 2.233 1.00 0.00 ? 28 LYS A CB 4 ATOM 4735 C CG . LYS A 1 28 ? 9.050 5.902 1.488 1.00 0.00 ? 28 LYS A CG 4 ATOM 4736 C CD . LYS A 1 28 ? 8.660 7.196 2.185 1.00 0.00 ? 28 LYS A CD 4 ATOM 4737 C CE . LYS A 1 28 ? 9.739 7.656 3.151 1.00 0.00 ? 28 LYS A CE 4 ATOM 4738 N NZ . LYS A 1 28 ? 10.990 8.045 2.444 1.00 0.00 ? 28 LYS A NZ 4 ATOM 4739 H H . LYS A 1 28 ? 7.917 2.342 3.028 1.00 0.00 ? 28 LYS A H 4 ATOM 4740 H HA . LYS A 1 28 ? 9.921 3.381 1.274 1.00 0.00 ? 28 LYS A HA 4 ATOM 4741 H HB2 . LYS A 1 28 ? 7.607 4.368 1.755 1.00 0.00 ? 28 LYS A HB2 4 ATOM 4742 H HB3 . LYS A 1 28 ? 8.303 4.982 3.249 1.00 0.00 ? 28 LYS A HB3 4 ATOM 4743 H HG2 . LYS A 1 28 ? 10.127 5.843 1.439 1.00 0.00 ? 28 LYS A HG2 4 ATOM 4744 H HG3 . LYS A 1 28 ? 8.641 5.906 0.488 1.00 0.00 ? 28 LYS A HG3 4 ATOM 4745 H HD2 . LYS A 1 28 ? 8.507 7.963 1.441 1.00 0.00 ? 28 LYS A HD2 4 ATOM 4746 H HD3 . LYS A 1 28 ? 7.743 7.036 2.733 1.00 0.00 ? 28 LYS A HD3 4 ATOM 4747 H HE2 . LYS A 1 28 ? 9.370 8.506 3.705 1.00 0.00 ? 28 LYS A HE2 4 ATOM 4748 H HE3 . LYS A 1 28 ? 9.959 6.849 3.835 1.00 0.00 ? 28 LYS A HE3 4 ATOM 4749 H HZ1 . LYS A 1 28 ? 10.760 8.530 1.553 1.00 0.00 ? 28 LYS A HZ1 4 ATOM 4750 H HZ2 . LYS A 1 28 ? 11.553 8.686 3.038 1.00 0.00 ? 28 LYS A HZ2 4 ATOM 4751 H HZ3 . LYS A 1 28 ? 11.557 7.200 2.229 1.00 0.00 ? 28 LYS A HZ3 4 ATOM 4752 N N . GLN A 1 29 ? 10.441 3.364 4.487 1.00 0.00 ? 29 GLN A N 4 ATOM 4753 C CA . GLN A 1 29 ? 11.440 3.571 5.528 1.00 0.00 ? 29 GLN A CA 4 ATOM 4754 C C . GLN A 1 29 ? 12.608 2.608 5.356 1.00 0.00 ? 29 GLN A C 4 ATOM 4755 O O . GLN A 1 29 ? 13.748 2.933 5.686 1.00 0.00 ? 29 GLN A O 4 ATOM 4756 C CB . GLN A 1 29 ? 10.812 3.391 6.911 1.00 0.00 ? 29 GLN A CB 4 ATOM 4757 C CG . GLN A 1 29 ? 11.632 4.001 8.036 1.00 0.00 ? 29 GLN A CG 4 ATOM 4758 C CD . GLN A 1 29 ? 10.803 4.883 8.950 1.00 0.00 ? 29 GLN A CD 4 ATOM 4759 O OE1 . GLN A 1 29 ? 9.917 5.606 8.496 1.00 0.00 ? 29 GLN A OE1 4 ATOM 4760 N NE2 . GLN A 1 29 ? 11.088 4.826 10.245 1.00 0.00 ? 29 GLN A NE2 4 ATOM 4761 H H . GLN A 1 29 ? 9.613 2.891 4.709 1.00 0.00 ? 29 GLN A H 4 ATOM 4762 H HA . GLN A 1 29 ? 11.807 4.583 5.438 1.00 0.00 ? 29 GLN A HA 4 ATOM 4763 H HB2 . GLN A 1 29 ? 9.836 3.853 6.915 1.00 0.00 ? 29 GLN A HB2 4 ATOM 4764 H HB3 . GLN A 1 29 ? 10.701 2.334 7.108 1.00 0.00 ? 29 GLN A HB3 4 ATOM 4765 H HG2 . GLN A 1 29 ? 12.062 3.204 8.625 1.00 0.00 ? 29 GLN A HG2 4 ATOM 4766 H HG3 . GLN A 1 29 ? 12.423 4.597 7.605 1.00 0.00 ? 29 GLN A HG3 4 ATOM 4767 H HE21 . GLN A 1 29 ? 11.807 4.226 10.535 1.00 0.00 ? 29 GLN A HE21 4 ATOM 4768 H HE22 . GLN A 1 29 ? 10.567 5.385 10.859 1.00 0.00 ? 29 GLN A HE22 4 ATOM 4769 N N . SER A 1 30 ? 12.317 1.419 4.836 1.00 0.00 ? 30 SER A N 4 ATOM 4770 C CA . SER A 1 30 ? 13.348 0.410 4.619 1.00 0.00 ? 30 SER A CA 4 ATOM 4771 C C . SER A 1 30 ? 14.177 0.738 3.380 1.00 0.00 ? 30 SER A C 4 ATOM 4772 O O . SER A 1 30 ? 15.393 0.554 3.370 1.00 0.00 ? 30 SER A O 4 ATOM 4773 C CB . SER A 1 30 ? 12.714 -0.974 4.472 1.00 0.00 ? 30 SER A CB 4 ATOM 4774 O OG . SER A 1 30 ? 12.412 -1.534 5.738 1.00 0.00 ? 30 SER A OG 4 ATOM 4775 H H . SER A 1 30 ? 11.387 1.217 4.592 1.00 0.00 ? 30 SER A H 4 ATOM 4776 H HA . SER A 1 30 ? 13.997 0.411 5.480 1.00 0.00 ? 30 SER A HA 4 ATOM 4777 H HB2 . SER A 1 30 ? 11.800 -0.891 3.902 1.00 0.00 ? 30 SER A HB2 4 ATOM 4778 H HB3 . SER A 1 30 ? 13.401 -1.630 3.956 1.00 0.00 ? 30 SER A HB3 4 ATOM 4779 H HG . SER A 1 30 ? 12.614 -2.474 5.729 1.00 0.00 ? 30 SER A HG 4 ATOM 4780 N N . ILE A 1 31 ? 13.510 1.228 2.341 1.00 0.00 ? 31 ILE A N 4 ATOM 4781 C CA . ILE A 1 31 ? 14.182 1.588 1.097 1.00 0.00 ? 31 ILE A CA 4 ATOM 4782 C C . ILE A 1 31 ? 14.937 2.905 1.253 1.00 0.00 ? 31 ILE A C 4 ATOM 4783 O O . ILE A 1 31 ? 15.949 3.133 0.591 1.00 0.00 ? 31 ILE A O 4 ATOM 4784 C CB . ILE A 1 31 ? 13.170 1.698 -0.065 1.00 0.00 ? 31 ILE A CB 4 ATOM 4785 C CG1 . ILE A 1 31 ? 13.840 2.190 -1.354 1.00 0.00 ? 31 ILE A CG1 4 ATOM 4786 C CG2 . ILE A 1 31 ? 12.026 2.625 0.317 1.00 0.00 ? 31 ILE A CG2 4 ATOM 4787 C CD1 . ILE A 1 31 ? 14.587 1.111 -2.103 1.00 0.00 ? 31 ILE A CD1 4 ATOM 4788 H H . ILE A 1 31 ? 12.542 1.354 2.412 1.00 0.00 ? 31 ILE A H 4 ATOM 4789 H HA . ILE A 1 31 ? 14.888 0.805 0.861 1.00 0.00 ? 31 ILE A HA 4 ATOM 4790 H HB . ILE A 1 31 ? 12.759 0.714 -0.237 1.00 0.00 ? 31 ILE A HB 4 ATOM 4791 H HG12 . ILE A 1 31 ? 13.080 2.579 -2.016 1.00 0.00 ? 31 ILE A HG12 4 ATOM 4792 H HG13 . ILE A 1 31 ? 14.539 2.977 -1.118 1.00 0.00 ? 31 ILE A HG13 4 ATOM 4793 H HG21 . ILE A 1 31 ? 12.131 2.922 1.349 1.00 0.00 ? 31 ILE A HG21 4 ATOM 4794 H HG22 . ILE A 1 31 ? 12.047 3.501 -0.314 1.00 0.00 ? 31 ILE A HG22 4 ATOM 4795 H HG23 . ILE A 1 31 ? 11.085 2.110 0.184 1.00 0.00 ? 31 ILE A HG23 4 ATOM 4796 H HD11 . ILE A 1 31 ? 14.005 0.203 -2.099 1.00 0.00 ? 31 ILE A HD11 4 ATOM 4797 H HD12 . ILE A 1 31 ? 14.750 1.428 -3.122 1.00 0.00 ? 31 ILE A HD12 4 ATOM 4798 H HD13 . ILE A 1 31 ? 15.538 0.932 -1.625 1.00 0.00 ? 31 ILE A HD13 4 ATOM 4799 N N . LYS A 1 32 ? 14.441 3.767 2.134 1.00 0.00 ? 32 LYS A N 4 ATOM 4800 C CA . LYS A 1 32 ? 15.073 5.058 2.377 1.00 0.00 ? 32 LYS A CA 4 ATOM 4801 C C . LYS A 1 32 ? 16.273 4.909 3.305 1.00 0.00 ? 32 LYS A C 4 ATOM 4802 O O . LYS A 1 32 ? 17.268 5.622 3.170 1.00 0.00 ? 32 LYS A O 4 ATOM 4803 C CB . LYS A 1 32 ? 14.064 6.038 2.980 1.00 0.00 ? 32 LYS A CB 4 ATOM 4804 C CG . LYS A 1 32 ? 14.511 7.489 2.911 1.00 0.00 ? 32 LYS A CG 4 ATOM 4805 C CD . LYS A 1 32 ? 14.099 8.136 1.598 1.00 0.00 ? 32 LYS A CD 4 ATOM 4806 C CE . LYS A 1 32 ? 15.262 8.206 0.623 1.00 0.00 ? 32 LYS A CE 4 ATOM 4807 N NZ . LYS A 1 32 ? 16.231 9.277 0.989 1.00 0.00 ? 32 LYS A NZ 4 ATOM 4808 H H . LYS A 1 32 ? 13.633 3.527 2.636 1.00 0.00 ? 32 LYS A H 4 ATOM 4809 H HA . LYS A 1 32 ? 15.413 5.443 1.428 1.00 0.00 ? 32 LYS A HA 4 ATOM 4810 H HB2 . LYS A 1 32 ? 13.128 5.946 2.448 1.00 0.00 ? 32 LYS A HB2 4 ATOM 4811 H HB3 . LYS A 1 32 ? 13.906 5.782 4.017 1.00 0.00 ? 32 LYS A HB3 4 ATOM 4812 H HG2 . LYS A 1 32 ? 14.059 8.034 3.725 1.00 0.00 ? 32 LYS A HG2 4 ATOM 4813 H HG3 . LYS A 1 32 ? 15.586 7.529 2.999 1.00 0.00 ? 32 LYS A HG3 4 ATOM 4814 H HD2 . LYS A 1 32 ? 13.305 7.554 1.153 1.00 0.00 ? 32 LYS A HD2 4 ATOM 4815 H HD3 . LYS A 1 32 ? 13.745 9.138 1.796 1.00 0.00 ? 32 LYS A HD3 4 ATOM 4816 H HE2 . LYS A 1 32 ? 15.774 7.255 0.622 1.00 0.00 ? 32 LYS A HE2 4 ATOM 4817 H HE3 . LYS A 1 32 ? 14.875 8.407 -0.366 1.00 0.00 ? 32 LYS A HE3 4 ATOM 4818 H HZ1 . LYS A 1 32 ? 16.221 9.430 2.018 1.00 0.00 ? 32 LYS A HZ1 4 ATOM 4819 H HZ2 . LYS A 1 32 ? 17.192 9.003 0.701 1.00 0.00 ? 32 LYS A HZ2 4 ATOM 4820 H HZ3 . LYS A 1 32 ? 15.977 10.167 0.515 1.00 0.00 ? 32 LYS A HZ3 4 ATOM 4821 N N . LYS A 1 33 ? 16.175 3.977 4.248 1.00 0.00 ? 33 LYS A N 4 ATOM 4822 C CA . LYS A 1 33 ? 17.256 3.734 5.196 1.00 0.00 ? 33 LYS A CA 4 ATOM 4823 C C . LYS A 1 33 ? 18.358 2.901 4.553 1.00 0.00 ? 33 LYS A C 4 ATOM 4824 O O . LYS A 1 33 ? 19.531 3.024 4.906 1.00 0.00 ? 33 LYS A O 4 ATOM 4825 C CB . LYS A 1 33 ? 16.722 3.026 6.441 1.00 0.00 ? 33 LYS A CB 4 ATOM 4826 C CG . LYS A 1 33 ? 17.813 2.595 7.410 1.00 0.00 ? 33 LYS A CG 4 ATOM 4827 C CD . LYS A 1 33 ? 17.240 1.813 8.581 1.00 0.00 ? 33 LYS A CD 4 ATOM 4828 C CE . LYS A 1 33 ? 18.319 1.026 9.306 1.00 0.00 ? 33 LYS A CE 4 ATOM 4829 N NZ . LYS A 1 33 ? 17.832 -0.311 9.745 1.00 0.00 ? 33 LYS A NZ 4 ATOM 4830 H H . LYS A 1 33 ? 15.359 3.437 4.305 1.00 0.00 ? 33 LYS A H 4 ATOM 4831 H HA . LYS A 1 33 ? 17.666 4.691 5.482 1.00 0.00 ? 33 LYS A HA 4 ATOM 4832 H HB2 . LYS A 1 33 ? 16.051 3.692 6.962 1.00 0.00 ? 33 LYS A HB2 4 ATOM 4833 H HB3 . LYS A 1 33 ? 16.176 2.146 6.135 1.00 0.00 ? 33 LYS A HB3 4 ATOM 4834 H HG2 . LYS A 1 33 ? 18.520 1.970 6.886 1.00 0.00 ? 33 LYS A HG2 4 ATOM 4835 H HG3 . LYS A 1 33 ? 18.314 3.474 7.785 1.00 0.00 ? 33 LYS A HG3 4 ATOM 4836 H HD2 . LYS A 1 33 ? 16.786 2.505 9.275 1.00 0.00 ? 33 LYS A HD2 4 ATOM 4837 H HD3 . LYS A 1 33 ? 16.492 1.127 8.212 1.00 0.00 ? 33 LYS A HD3 4 ATOM 4838 H HE2 . LYS A 1 33 ? 19.158 0.891 8.640 1.00 0.00 ? 33 LYS A HE2 4 ATOM 4839 H HE3 . LYS A 1 33 ? 18.636 1.588 10.173 1.00 0.00 ? 33 LYS A HE3 4 ATOM 4840 H HZ1 . LYS A 1 33 ? 17.405 -0.817 8.942 1.00 0.00 ? 33 LYS A HZ1 4 ATOM 4841 H HZ2 . LYS A 1 33 ? 18.623 -0.876 10.116 1.00 0.00 ? 33 LYS A HZ2 4 ATOM 4842 H HZ3 . LYS A 1 33 ? 17.117 -0.203 10.493 1.00 0.00 ? 33 LYS A HZ3 4 ATOM 4843 N N . LEU A 1 34 ? 17.973 2.057 3.603 1.00 0.00 ? 34 LEU A N 4 ATOM 4844 C CA . LEU A 1 34 ? 18.927 1.207 2.904 1.00 0.00 ? 34 LEU A CA 4 ATOM 4845 C C . LEU A 1 34 ? 19.678 2.003 1.844 1.00 0.00 ? 34 LEU A C 4 ATOM 4846 O O . LEU A 1 34 ? 20.848 1.739 1.567 1.00 0.00 ? 34 LEU A O 4 ATOM 4847 C CB . LEU A 1 34 ? 18.209 0.019 2.260 1.00 0.00 ? 34 LEU A CB 4 ATOM 4848 C CG . LEU A 1 34 ? 18.273 -1.285 3.057 1.00 0.00 ? 34 LEU A CG 4 ATOM 4849 C CD1 . LEU A 1 34 ? 17.092 -2.179 2.713 1.00 0.00 ? 34 LEU A CD1 4 ATOM 4850 C CD2 . LEU A 1 34 ? 19.585 -2.007 2.794 1.00 0.00 ? 34 LEU A CD2 4 ATOM 4851 H H . LEU A 1 34 ? 17.024 2.009 3.362 1.00 0.00 ? 34 LEU A H 4 ATOM 4852 H HA . LEU A 1 34 ? 19.635 0.838 3.630 1.00 0.00 ? 34 LEU A HA 4 ATOM 4853 H HB2 . LEU A 1 34 ? 17.171 0.284 2.122 1.00 0.00 ? 34 LEU A HB2 4 ATOM 4854 H HB3 . LEU A 1 34 ? 18.650 -0.157 1.290 1.00 0.00 ? 34 LEU A HB3 4 ATOM 4855 H HG . LEU A 1 34 ? 18.222 -1.057 4.113 1.00 0.00 ? 34 LEU A HG 4 ATOM 4856 H HD11 . LEU A 1 34 ? 16.188 -1.589 2.690 1.00 0.00 ? 34 LEU A HD11 4 ATOM 4857 H HD12 . LEU A 1 34 ? 17.252 -2.630 1.745 1.00 0.00 ? 34 LEU A HD12 4 ATOM 4858 H HD13 . LEU A 1 34 ? 16.997 -2.954 3.460 1.00 0.00 ? 34 LEU A HD13 4 ATOM 4859 H HD21 . LEU A 1 34 ? 20.217 -1.389 2.174 1.00 0.00 ? 34 LEU A HD21 4 ATOM 4860 H HD22 . LEU A 1 34 ? 20.082 -2.205 3.733 1.00 0.00 ? 34 LEU A HD22 4 ATOM 4861 H HD23 . LEU A 1 34 ? 19.387 -2.941 2.289 1.00 0.00 ? 34 LEU A HD23 4 ATOM 4862 N N . LYS A 1 35 ? 18.998 2.983 1.256 1.00 0.00 ? 35 LYS A N 4 ATOM 4863 C CA . LYS A 1 35 ? 19.604 3.821 0.228 1.00 0.00 ? 35 LYS A CA 4 ATOM 4864 C C . LYS A 1 35 ? 20.578 4.814 0.852 1.00 0.00 ? 35 LYS A C 4 ATOM 4865 O O . LYS A 1 35 ? 21.629 5.110 0.281 1.00 0.00 ? 35 LYS A O 4 ATOM 4866 C CB . LYS A 1 35 ? 18.524 4.570 -0.555 1.00 0.00 ? 35 LYS A CB 4 ATOM 4867 C CG . LYS A 1 35 ? 18.898 4.838 -2.003 1.00 0.00 ? 35 LYS A CG 4 ATOM 4868 C CD . LYS A 1 35 ? 17.967 5.857 -2.640 1.00 0.00 ? 35 LYS A CD 4 ATOM 4869 C CE . LYS A 1 35 ? 16.752 5.188 -3.262 1.00 0.00 ? 35 LYS A CE 4 ATOM 4870 N NZ . LYS A 1 35 ? 17.137 4.117 -4.222 1.00 0.00 ? 35 LYS A NZ 4 ATOM 4871 H H . LYS A 1 35 ? 18.068 3.148 1.521 1.00 0.00 ? 35 LYS A H 4 ATOM 4872 H HA . LYS A 1 35 ? 20.147 3.178 -0.447 1.00 0.00 ? 35 LYS A HA 4 ATOM 4873 H HB2 . LYS A 1 35 ? 17.617 3.984 -0.543 1.00 0.00 ? 35 LYS A HB2 4 ATOM 4874 H HB3 . LYS A 1 35 ? 18.337 5.517 -0.072 1.00 0.00 ? 35 LYS A HB3 4 ATOM 4875 H HG2 . LYS A 1 35 ? 19.909 5.217 -2.039 1.00 0.00 ? 35 LYS A HG2 4 ATOM 4876 H HG3 . LYS A 1 35 ? 18.839 3.913 -2.558 1.00 0.00 ? 35 LYS A HG3 4 ATOM 4877 H HD2 . LYS A 1 35 ? 17.635 6.550 -1.882 1.00 0.00 ? 35 LYS A HD2 4 ATOM 4878 H HD3 . LYS A 1 35 ? 18.505 6.391 -3.408 1.00 0.00 ? 35 LYS A HD3 4 ATOM 4879 H HE2 . LYS A 1 35 ? 16.154 4.754 -2.474 1.00 0.00 ? 35 LYS A HE2 4 ATOM 4880 H HE3 . LYS A 1 35 ? 16.172 5.936 -3.782 1.00 0.00 ? 35 LYS A HE3 4 ATOM 4881 H HZ1 . LYS A 1 35 ? 17.998 4.391 -4.736 1.00 0.00 ? 35 LYS A HZ1 4 ATOM 4882 H HZ2 . LYS A 1 35 ? 17.320 3.228 -3.713 1.00 0.00 ? 35 LYS A HZ2 4 ATOM 4883 H HZ3 . LYS A 1 35 ? 16.372 3.960 -4.909 1.00 0.00 ? 35 LYS A HZ3 4 ATOM 4884 N N . GLN A 1 36 ? 20.227 5.323 2.029 1.00 0.00 ? 36 GLN A N 4 ATOM 4885 C CA . GLN A 1 36 ? 21.074 6.279 2.730 1.00 0.00 ? 36 GLN A CA 4 ATOM 4886 C C . GLN A 1 36 ? 22.300 5.584 3.312 1.00 0.00 ? 36 GLN A C 4 ATOM 4887 O O . GLN A 1 36 ? 23.384 6.166 3.376 1.00 0.00 ? 36 GLN A O 4 ATOM 4888 C CB . GLN A 1 36 ? 20.288 6.972 3.843 1.00 0.00 ? 36 GLN A CB 4 ATOM 4889 C CG . GLN A 1 36 ? 21.136 7.893 4.705 1.00 0.00 ? 36 GLN A CG 4 ATOM 4890 C CD . GLN A 1 36 ? 21.509 9.178 3.993 1.00 0.00 ? 36 GLN A CD 4 ATOM 4891 O OE1 . GLN A 1 36 ? 20.780 10.169 4.050 1.00 0.00 ? 36 GLN A OE1 4 ATOM 4892 N NE2 . GLN A 1 36 ? 22.650 9.168 3.314 1.00 0.00 ? 36 GLN A NE2 4 ATOM 4893 H H . GLN A 1 36 ? 19.379 5.046 2.436 1.00 0.00 ? 36 GLN A H 4 ATOM 4894 H HA . GLN A 1 36 ? 21.401 7.020 2.015 1.00 0.00 ? 36 GLN A HA 4 ATOM 4895 H HB2 . GLN A 1 36 ? 19.497 7.558 3.399 1.00 0.00 ? 36 GLN A HB2 4 ATOM 4896 H HB3 . GLN A 1 36 ? 19.850 6.219 4.482 1.00 0.00 ? 36 GLN A HB3 4 ATOM 4897 H HG2 . GLN A 1 36 ? 20.582 8.143 5.597 1.00 0.00 ? 36 GLN A HG2 4 ATOM 4898 H HG3 . GLN A 1 36 ? 22.043 7.374 4.979 1.00 0.00 ? 36 GLN A HG3 4 ATOM 4899 H HE21 . GLN A 1 36 ? 23.180 8.344 3.311 1.00 0.00 ? 36 GLN A HE21 4 ATOM 4900 H HE22 . GLN A 1 36 ? 22.917 9.986 2.843 1.00 0.00 ? 36 GLN A HE22 4 ATOM 4901 N N . SER A 1 37 ? 22.122 4.336 3.730 1.00 0.00 ? 37 SER A N 4 ATOM 4902 C CA . SER A 1 37 ? 23.214 3.559 4.303 1.00 0.00 ? 37 SER A CA 4 ATOM 4903 C C . SER A 1 37 ? 24.244 3.210 3.235 1.00 0.00 ? 37 SER A C 4 ATOM 4904 O O . SER A 1 37 ? 25.431 3.068 3.525 1.00 0.00 ? 37 SER A O 4 ATOM 4905 C CB . SER A 1 37 ? 22.676 2.281 4.948 1.00 0.00 ? 37 SER A CB 4 ATOM 4906 O OG . SER A 1 37 ? 21.973 2.570 6.144 1.00 0.00 ? 37 SER A OG 4 ATOM 4907 H H . SER A 1 37 ? 21.235 3.926 3.649 1.00 0.00 ? 37 SER A H 4 ATOM 4908 H HA . SER A 1 37 ? 23.690 4.164 5.060 1.00 0.00 ? 37 SER A HA 4 ATOM 4909 H HB2 . SER A 1 37 ? 22.006 1.788 4.262 1.00 0.00 ? 37 SER A HB2 4 ATOM 4910 H HB3 . SER A 1 37 ? 23.502 1.623 5.181 1.00 0.00 ? 37 SER A HB3 4 ATOM 4911 H HG . SER A 1 37 ? 22.414 2.149 6.886 1.00 0.00 ? 37 SER A HG 4 ATOM 4912 N N . GLU A 1 38 ? 23.781 3.076 1.996 1.00 0.00 ? 38 GLU A N 4 ATOM 4913 C CA . GLU A 1 38 ? 24.663 2.748 0.883 1.00 0.00 ? 38 GLU A CA 4 ATOM 4914 C C . GLU A 1 38 ? 25.639 3.888 0.614 1.00 0.00 ? 38 GLU A C 4 ATOM 4915 O O . GLU A 1 38 ? 26.738 3.672 0.103 1.00 0.00 ? 38 GLU A O 4 ATOM 4916 C CB . GLU A 1 38 ? 23.845 2.452 -0.375 1.00 0.00 ? 38 GLU A CB 4 ATOM 4917 C CG . GLU A 1 38 ? 24.091 1.066 -0.948 1.00 0.00 ? 38 GLU A CG 4 ATOM 4918 C CD . GLU A 1 38 ? 23.688 0.958 -2.407 1.00 0.00 ? 38 GLU A CD 4 ATOM 4919 O OE1 . GLU A 1 38 ? 22.862 1.781 -2.856 1.00 0.00 ? 38 GLU A OE1 4 ATOM 4920 O OE2 . GLU A 1 38 ? 24.198 0.052 -3.098 1.00 0.00 ? 38 GLU A OE2 4 ATOM 4921 H H . GLU A 1 38 ? 22.824 3.205 1.825 1.00 0.00 ? 38 GLU A H 4 ATOM 4922 H HA . GLU A 1 38 ? 25.224 1.866 1.154 1.00 0.00 ? 38 GLU A HA 4 ATOM 4923 H HB2 . GLU A 1 38 ? 22.795 2.539 -0.137 1.00 0.00 ? 38 GLU A HB2 4 ATOM 4924 H HB3 . GLU A 1 38 ? 24.094 3.181 -1.133 1.00 0.00 ? 38 GLU A HB3 4 ATOM 4925 H HG2 . GLU A 1 38 ? 25.142 0.836 -0.864 1.00 0.00 ? 38 GLU A HG2 4 ATOM 4926 H HG3 . GLU A 1 38 ? 23.518 0.348 -0.378 1.00 0.00 ? 38 GLU A HG3 4 ATOM 4927 N N . ASP A 1 39 ? 25.230 5.104 0.963 1.00 0.00 ? 39 ASP A N 4 ATOM 4928 C CA . ASP A 1 39 ? 26.069 6.279 0.762 1.00 0.00 ? 39 ASP A CA 4 ATOM 4929 C C . ASP A 1 39 ? 27.306 6.223 1.653 1.00 0.00 ? 39 ASP A C 4 ATOM 4930 O O . ASP A 1 39 ? 28.334 6.824 1.342 1.00 0.00 ? 39 ASP A O 4 ATOM 4931 C CB . ASP A 1 39 ? 25.275 7.554 1.052 1.00 0.00 ? 39 ASP A CB 4 ATOM 4932 C CG . ASP A 1 39 ? 26.127 8.804 0.944 1.00 0.00 ? 39 ASP A CG 4 ATOM 4933 O OD1 . ASP A 1 39 ? 27.097 8.794 0.156 1.00 0.00 ? 39 ASP A OD1 4 ATOM 4934 O OD2 . ASP A 1 39 ? 25.825 9.791 1.646 1.00 0.00 ? 39 ASP A OD2 4 ATOM 4935 H H . ASP A 1 39 ? 24.343 5.213 1.367 1.00 0.00 ? 39 ASP A H 4 ATOM 4936 H HA . ASP A 1 39 ? 26.384 6.289 -0.270 1.00 0.00 ? 39 ASP A HA 4 ATOM 4937 H HB2 . ASP A 1 39 ? 24.462 7.634 0.345 1.00 0.00 ? 39 ASP A HB2 4 ATOM 4938 H HB3 . ASP A 1 39 ? 24.872 7.500 2.053 1.00 0.00 ? 39 ASP A HB3 4 ATOM 4939 N N . ASP A 1 40 ? 27.199 5.497 2.761 1.00 0.00 ? 40 ASP A N 4 ATOM 4940 C CA . ASP A 1 40 ? 28.310 5.361 3.698 1.00 0.00 ? 40 ASP A CA 4 ATOM 4941 C C . ASP A 1 40 ? 28.550 6.665 4.450 1.00 0.00 ? 40 ASP A C 4 ATOM 4942 O O . ASP A 1 40 ? 28.259 7.749 3.944 1.00 0.00 ? 40 ASP A O 4 ATOM 4943 C CB . ASP A 1 40 ? 29.582 4.942 2.959 1.00 0.00 ? 40 ASP A CB 4 ATOM 4944 C CG . ASP A 1 40 ? 30.273 3.764 3.619 1.00 0.00 ? 40 ASP A CG 4 ATOM 4945 O OD1 . ASP A 1 40 ? 29.823 3.344 4.706 1.00 0.00 ? 40 ASP A OD1 4 ATOM 4946 O OD2 . ASP A 1 40 ? 31.262 3.260 3.047 1.00 0.00 ? 40 ASP A OD2 4 ATOM 4947 H H . ASP A 1 40 ? 26.353 5.041 2.955 1.00 0.00 ? 40 ASP A H 4 ATOM 4948 H HA . ASP A 1 40 ? 28.049 4.593 4.410 1.00 0.00 ? 40 ASP A HA 4 ATOM 4949 H HB2 . ASP A 1 40 ? 29.329 4.665 1.947 1.00 0.00 ? 40 ASP A HB2 4 ATOM 4950 H HB3 . ASP A 1 40 ? 30.270 5.774 2.939 1.00 0.00 ? 40 ASP A HB3 4 ATOM 4951 N N . ASP A 1 41 ? 29.085 6.553 5.662 1.00 0.00 ? 41 ASP A N 4 ATOM 4952 C CA . ASP A 1 41 ? 29.366 7.724 6.485 1.00 0.00 ? 41 ASP A CA 4 ATOM 4953 C C . ASP A 1 41 ? 30.841 8.104 6.406 1.00 0.00 ? 41 ASP A C 4 ATOM 4954 O O . ASP A 1 41 ? 31.152 9.137 5.776 1.00 0.00 ? 41 ASP A O 4 ATOM 4955 C CB . ASP A 1 41 ? 28.974 7.457 7.939 1.00 0.00 ? 41 ASP A CB 4 ATOM 4956 C CG . ASP A 1 41 ? 28.085 8.546 8.508 1.00 0.00 ? 41 ASP A CG 4 ATOM 4957 O OD1 . ASP A 1 41 ? 27.199 9.033 7.774 1.00 0.00 ? 41 ASP A OD1 4 ATOM 4958 O OD2 . ASP A 1 41 ? 28.274 8.911 9.687 1.00 0.00 ? 41 ASP A OD2 4 ATOM 4959 O OXT . ASP A 1 41 ? 31.673 7.365 6.974 1.00 0.00 ? 41 ASP A OXT 4 ATOM 4960 H H . ASP A 1 41 ? 29.295 5.662 6.012 1.00 0.00 ? 41 ASP A H 4 ATOM 4961 H HA . ASP A 1 41 ? 28.774 8.544 6.107 1.00 0.00 ? 41 ASP A HA 4 ATOM 4962 H HB2 . ASP A 1 41 ? 28.443 6.519 7.996 1.00 0.00 ? 41 ASP A HB2 4 ATOM 4963 H HB3 . ASP A 1 41 ? 29.869 7.397 8.541 1.00 0.00 ? 41 ASP A HB3 4 ATOM 4964 N N . ALA B 1 1 ? 33.162 -8.694 2.393 1.00 0.00 ? 1 ALA B N 4 ATOM 4965 C CA . ALA B 1 1 ? 31.781 -8.937 1.900 1.00 0.00 ? 1 ALA B CA 4 ATOM 4966 C C . ALA B 1 1 ? 31.557 -8.267 0.550 1.00 0.00 ? 1 ALA B C 4 ATOM 4967 O O . ALA B 1 1 ? 32.251 -7.314 0.196 1.00 0.00 ? 1 ALA B O 4 ATOM 4968 C CB . ALA B 1 1 ? 30.765 -8.436 2.914 1.00 0.00 ? 1 ALA B CB 4 ATOM 4969 H H1 . ALA B 1 1 ? 33.802 -8.736 1.574 1.00 0.00 ? 1 ALA B H1 4 ATOM 4970 H H2 . ALA B 1 1 ? 33.180 -7.755 2.837 1.00 0.00 ? 1 ALA B H2 4 ATOM 4971 H H3 . ALA B 1 1 ? 33.388 -9.439 3.084 1.00 0.00 ? 1 ALA B H3 4 ATOM 4972 H HA . ALA B 1 1 ? 31.645 -10.003 1.787 1.00 0.00 ? 1 ALA B HA 4 ATOM 4973 H HB1 . ALA B 1 1 ? 30.218 -7.604 2.495 1.00 0.00 ? 1 ALA B HB1 4 ATOM 4974 H HB2 . ALA B 1 1 ? 31.276 -8.115 3.810 1.00 0.00 ? 1 ALA B HB2 4 ATOM 4975 H HB3 . ALA B 1 1 ? 30.077 -9.233 3.159 1.00 0.00 ? 1 ALA B HB3 4 ATOM 4976 N N . LEU B 1 2 ? 30.581 -8.769 -0.200 1.00 0.00 ? 2 LEU B N 4 ATOM 4977 C CA . LEU B 1 2 ? 30.264 -8.218 -1.512 1.00 0.00 ? 2 LEU B CA 4 ATOM 4978 C C . LEU B 1 2 ? 29.112 -7.222 -1.420 1.00 0.00 ? 2 LEU B C 4 ATOM 4979 O O . LEU B 1 2 ? 29.023 -6.287 -2.213 1.00 0.00 ? 2 LEU B O 4 ATOM 4980 C CB . LEU B 1 2 ? 29.906 -9.342 -2.487 1.00 0.00 ? 2 LEU B CB 4 ATOM 4981 C CG . LEU B 1 2 ? 30.659 -10.656 -2.266 1.00 0.00 ? 2 LEU B CG 4 ATOM 4982 C CD1 . LEU B 1 2 ? 29.689 -11.770 -1.903 1.00 0.00 ? 2 LEU B CD1 4 ATOM 4983 C CD2 . LEU B 1 2 ? 31.460 -11.026 -3.505 1.00 0.00 ? 2 LEU B CD2 4 ATOM 4984 H H . LEU B 1 2 ? 30.062 -9.529 0.138 1.00 0.00 ? 2 LEU B H 4 ATOM 4985 H HA . LEU B 1 2 ? 31.140 -7.704 -1.875 1.00 0.00 ? 2 LEU B HA 4 ATOM 4986 H HB2 . LEU B 1 2 ? 28.847 -9.538 -2.402 1.00 0.00 ? 2 LEU B HB2 4 ATOM 4987 H HB3 . LEU B 1 2 ? 30.112 -8.999 -3.490 1.00 0.00 ? 2 LEU B HB3 4 ATOM 4988 H HG . LEU B 1 2 ? 31.349 -10.533 -1.444 1.00 0.00 ? 2 LEU B HG 4 ATOM 4989 H HD11 . LEU B 1 2 ? 28.802 -11.345 -1.459 1.00 0.00 ? 2 LEU B HD11 4 ATOM 4990 H HD12 . LEU B 1 2 ? 29.421 -12.317 -2.793 1.00 0.00 ? 2 LEU B HD12 4 ATOM 4991 H HD13 . LEU B 1 2 ? 30.159 -12.439 -1.197 1.00 0.00 ? 2 LEU B HD13 4 ATOM 4992 H HD21 . LEU B 1 2 ? 31.793 -10.126 -4.000 1.00 0.00 ? 2 LEU B HD21 4 ATOM 4993 H HD22 . LEU B 1 2 ? 32.316 -11.617 -3.216 1.00 0.00 ? 2 LEU B HD22 4 ATOM 4994 H HD23 . LEU B 1 2 ? 30.838 -11.598 -4.178 1.00 0.00 ? 2 LEU B HD23 4 ATOM 4995 N N . LYS B 1 3 ? 28.232 -7.433 -0.445 1.00 0.00 ? 3 LYS B N 4 ATOM 4996 C CA . LYS B 1 3 ? 27.085 -6.554 -0.248 1.00 0.00 ? 3 LYS B CA 4 ATOM 4997 C C . LYS B 1 3 ? 26.319 -6.357 -1.553 1.00 0.00 ? 3 LYS B C 4 ATOM 4998 O O . LYS B 1 3 ? 25.635 -5.351 -1.736 1.00 0.00 ? 3 LYS B O 4 ATOM 4999 C CB . LYS B 1 3 ? 27.541 -5.200 0.299 1.00 0.00 ? 3 LYS B CB 4 ATOM 5000 C CG . LYS B 1 3 ? 26.982 -4.883 1.677 1.00 0.00 ? 3 LYS B CG 4 ATOM 5001 C CD . LYS B 1 3 ? 28.054 -4.321 2.597 1.00 0.00 ? 3 LYS B CD 4 ATOM 5002 C CE . LYS B 1 3 ? 27.856 -4.785 4.031 1.00 0.00 ? 3 LYS B CE 4 ATOM 5003 N NZ . LYS B 1 3 ? 26.471 -4.523 4.513 1.00 0.00 ? 3 LYS B NZ 4 ATOM 5004 H H . LYS B 1 3 ? 28.359 -8.197 0.156 1.00 0.00 ? 3 LYS B H 4 ATOM 5005 H HA . LYS B 1 3 ? 26.430 -7.022 0.471 1.00 0.00 ? 3 LYS B HA 4 ATOM 5006 H HB2 . LYS B 1 3 ? 28.619 -5.194 0.361 1.00 0.00 ? 3 LYS B HB2 4 ATOM 5007 H HB3 . LYS B 1 3 ? 27.224 -4.424 -0.381 1.00 0.00 ? 3 LYS B HB3 4 ATOM 5008 H HG2 . LYS B 1 3 ? 26.192 -4.155 1.575 1.00 0.00 ? 3 LYS B HG2 4 ATOM 5009 H HG3 . LYS B 1 3 ? 26.587 -5.790 2.111 1.00 0.00 ? 3 LYS B HG3 4 ATOM 5010 H HD2 . LYS B 1 3 ? 29.021 -4.654 2.253 1.00 0.00 ? 3 LYS B HD2 4 ATOM 5011 H HD3 . LYS B 1 3 ? 28.010 -3.242 2.567 1.00 0.00 ? 3 LYS B HD3 4 ATOM 5012 H HE2 . LYS B 1 3 ? 28.051 -5.846 4.083 1.00 0.00 ? 3 LYS B HE2 4 ATOM 5013 H HE3 . LYS B 1 3 ? 28.555 -4.259 4.666 1.00 0.00 ? 3 LYS B HE3 4 ATOM 5014 H HZ1 . LYS B 1 3 ? 25.978 -3.888 3.854 1.00 0.00 ? 3 LYS B HZ1 4 ATOM 5015 H HZ2 . LYS B 1 3 ? 25.942 -5.415 4.580 1.00 0.00 ? 3 LYS B HZ2 4 ATOM 5016 H HZ3 . LYS B 1 3 ? 26.499 -4.078 5.453 1.00 0.00 ? 3 LYS B HZ3 4 ATOM 5017 N N . LYS B 1 4 ? 26.439 -7.324 -2.457 1.00 0.00 ? 4 LYS B N 4 ATOM 5018 C CA . LYS B 1 4 ? 25.756 -7.256 -3.743 1.00 0.00 ? 4 LYS B CA 4 ATOM 5019 C C . LYS B 1 4 ? 24.270 -7.562 -3.586 1.00 0.00 ? 4 LYS B C 4 ATOM 5020 O O . LYS B 1 4 ? 23.423 -6.897 -4.181 1.00 0.00 ? 4 LYS B O 4 ATOM 5021 C CB . LYS B 1 4 ? 26.388 -8.236 -4.734 1.00 0.00 ? 4 LYS B CB 4 ATOM 5022 C CG . LYS B 1 4 ? 26.130 -7.879 -6.189 1.00 0.00 ? 4 LYS B CG 4 ATOM 5023 C CD . LYS B 1 4 ? 27.054 -8.646 -7.122 1.00 0.00 ? 4 LYS B CD 4 ATOM 5024 C CE . LYS B 1 4 ? 27.444 -7.810 -8.330 1.00 0.00 ? 4 LYS B CE 4 ATOM 5025 N NZ . LYS B 1 4 ? 28.208 -6.594 -7.942 1.00 0.00 ? 4 LYS B NZ 4 ATOM 5026 H H . LYS B 1 4 ? 26.998 -8.103 -2.254 1.00 0.00 ? 4 LYS B H 4 ATOM 5027 H HA . LYS B 1 4 ? 25.865 -6.251 -4.124 1.00 0.00 ? 4 LYS B HA 4 ATOM 5028 H HB2 . LYS B 1 4 ? 27.456 -8.253 -4.573 1.00 0.00 ? 4 LYS B HB2 4 ATOM 5029 H HB3 . LYS B 1 4 ? 25.989 -9.222 -4.551 1.00 0.00 ? 4 LYS B HB3 4 ATOM 5030 H HG2 . LYS B 1 4 ? 25.107 -8.123 -6.433 1.00 0.00 ? 4 LYS B HG2 4 ATOM 5031 H HG3 . LYS B 1 4 ? 26.294 -6.820 -6.325 1.00 0.00 ? 4 LYS B HG3 4 ATOM 5032 H HD2 . LYS B 1 4 ? 27.949 -8.918 -6.583 1.00 0.00 ? 4 LYS B HD2 4 ATOM 5033 H HD3 . LYS B 1 4 ? 26.549 -9.539 -7.460 1.00 0.00 ? 4 LYS B HD3 4 ATOM 5034 H HE2 . LYS B 1 4 ? 28.052 -8.413 -8.988 1.00 0.00 ? 4 LYS B HE2 4 ATOM 5035 H HE3 . LYS B 1 4 ? 26.544 -7.511 -8.849 1.00 0.00 ? 4 LYS B HE3 4 ATOM 5036 H HZ1 . LYS B 1 4 ? 28.859 -6.815 -7.162 1.00 0.00 ? 4 LYS B HZ1 4 ATOM 5037 H HZ2 . LYS B 1 4 ? 28.761 -6.245 -8.751 1.00 0.00 ? 4 LYS B HZ2 4 ATOM 5038 H HZ3 . LYS B 1 4 ? 27.555 -5.844 -7.634 1.00 0.00 ? 4 LYS B HZ3 4 ATOM 5039 N N . HIS B 1 5 ? 23.962 -8.571 -2.777 1.00 0.00 ? 5 HIS B N 4 ATOM 5040 C CA . HIS B 1 5 ? 22.579 -8.962 -2.538 1.00 0.00 ? 5 HIS B CA 4 ATOM 5041 C C . HIS B 1 5 ? 21.778 -7.798 -1.964 1.00 0.00 ? 5 HIS B C 4 ATOM 5042 O O . HIS B 1 5 ? 20.557 -7.740 -2.110 1.00 0.00 ? 5 HIS B O 4 ATOM 5043 C CB . HIS B 1 5 ? 22.521 -10.156 -1.585 1.00 0.00 ? 5 HIS B CB 4 ATOM 5044 C CG . HIS B 1 5 ? 23.365 -9.987 -0.361 1.00 0.00 ? 5 HIS B CG 4 ATOM 5045 N ND1 . HIS B 1 5 ? 24.337 -10.890 0.015 1.00 0.00 ? 5 HIS B ND1 4 ATOM 5046 C CD2 . HIS B 1 5 ? 23.379 -9.010 0.578 1.00 0.00 ? 5 HIS B CD2 4 ATOM 5047 C CE1 . HIS B 1 5 ? 24.913 -10.477 1.131 1.00 0.00 ? 5 HIS B CE1 4 ATOM 5048 N NE2 . HIS B 1 5 ? 24.349 -9.340 1.491 1.00 0.00 ? 5 HIS B NE2 4 ATOM 5049 H H . HIS B 1 5 ? 24.683 -9.062 -2.329 1.00 0.00 ? 5 HIS B H 4 ATOM 5050 H HA . HIS B 1 5 ? 22.147 -9.247 -3.486 1.00 0.00 ? 5 HIS B HA 4 ATOM 5051 H HB2 . HIS B 1 5 ? 21.500 -10.305 -1.266 1.00 0.00 ? 5 HIS B HB2 4 ATOM 5052 H HB3 . HIS B 1 5 ? 22.862 -11.040 -2.106 1.00 0.00 ? 5 HIS B HB3 4 ATOM 5053 H HD1 . HIS B 1 5 ? 24.572 -11.712 -0.465 1.00 0.00 ? 5 HIS B HD1 4 ATOM 5054 H HD2 . HIS B 1 5 ? 22.745 -8.136 0.602 1.00 0.00 ? 5 HIS B HD2 4 ATOM 5055 H HE1 . HIS B 1 5 ? 25.709 -10.983 1.657 1.00 0.00 ? 5 HIS B HE1 4 ATOM 5056 H HE2 . HIS B 1 5 ? 24.588 -8.815 2.285 1.00 0.00 ? 5 HIS B HE2 4 ATOM 5057 N N . HIS B 1 6 ? 22.474 -6.873 -1.310 1.00 0.00 ? 6 HIS B N 4 ATOM 5058 C CA . HIS B 1 6 ? 21.827 -5.709 -0.716 1.00 0.00 ? 6 HIS B CA 4 ATOM 5059 C C . HIS B 1 6 ? 21.180 -4.840 -1.787 1.00 0.00 ? 6 HIS B C 4 ATOM 5060 O O . HIS B 1 6 ? 20.096 -4.296 -1.585 1.00 0.00 ? 6 HIS B O 4 ATOM 5061 C CB . HIS B 1 6 ? 22.841 -4.887 0.083 1.00 0.00 ? 6 HIS B CB 4 ATOM 5062 C CG . HIS B 1 6 ? 22.451 -4.684 1.515 1.00 0.00 ? 6 HIS B CG 4 ATOM 5063 N ND1 . HIS B 1 6 ? 21.664 -5.573 2.215 1.00 0.00 ? 6 HIS B ND1 4 ATOM 5064 C CD2 . HIS B 1 6 ? 22.748 -3.685 2.380 1.00 0.00 ? 6 HIS B CD2 4 ATOM 5065 C CE1 . HIS B 1 6 ? 21.491 -5.131 3.447 1.00 0.00 ? 6 HIS B CE1 4 ATOM 5066 N NE2 . HIS B 1 6 ? 22.139 -3.988 3.572 1.00 0.00 ? 6 HIS B NE2 4 ATOM 5067 H H . HIS B 1 6 ? 23.445 -6.973 -1.228 1.00 0.00 ? 6 HIS B H 4 ATOM 5068 H HA . HIS B 1 6 ? 21.058 -6.066 -0.047 1.00 0.00 ? 6 HIS B HA 4 ATOM 5069 H HB2 . HIS B 1 6 ? 23.796 -5.391 0.067 1.00 0.00 ? 6 HIS B HB2 4 ATOM 5070 H HB3 . HIS B 1 6 ? 22.945 -3.914 -0.375 1.00 0.00 ? 6 HIS B HB3 4 ATOM 5071 H HD1 . HIS B 1 6 ? 21.285 -6.406 1.860 1.00 0.00 ? 6 HIS B HD1 4 ATOM 5072 H HD2 . HIS B 1 6 ? 23.352 -2.814 2.172 1.00 0.00 ? 6 HIS B HD2 4 ATOM 5073 H HE1 . HIS B 1 6 ? 20.918 -5.621 4.220 1.00 0.00 ? 6 HIS B HE1 4 ATOM 5074 H HE2 . HIS B 1 6 ? 22.177 -3.445 4.388 1.00 0.00 ? 6 HIS B HE2 4 ATOM 5075 N N . GLU B 1 7 ? 21.849 -4.716 -2.929 1.00 0.00 ? 7 GLU B N 4 ATOM 5076 C CA . GLU B 1 7 ? 21.332 -3.918 -4.032 1.00 0.00 ? 7 GLU B CA 4 ATOM 5077 C C . GLU B 1 7 ? 20.047 -4.528 -4.581 1.00 0.00 ? 7 GLU B C 4 ATOM 5078 O O . GLU B 1 7 ? 19.212 -3.829 -5.154 1.00 0.00 ? 7 GLU B O 4 ATOM 5079 C CB . GLU B 1 7 ? 22.376 -3.808 -5.145 1.00 0.00 ? 7 GLU B CB 4 ATOM 5080 C CG . GLU B 1 7 ? 23.426 -2.738 -4.892 1.00 0.00 ? 7 GLU B CG 4 ATOM 5081 C CD . GLU B 1 7 ? 23.870 -2.045 -6.164 1.00 0.00 ? 7 GLU B CD 4 ATOM 5082 O OE1 . GLU B 1 7 ? 24.450 -2.723 -7.039 1.00 0.00 ? 7 GLU B OE1 4 ATOM 5083 O OE2 . GLU B 1 7 ? 23.639 -0.823 -6.286 1.00 0.00 ? 7 GLU B OE2 4 ATOM 5084 H H . GLU B 1 7 ? 22.707 -5.176 -3.033 1.00 0.00 ? 7 GLU B H 4 ATOM 5085 H HA . GLU B 1 7 ? 21.115 -2.930 -3.654 1.00 0.00 ? 7 GLU B HA 4 ATOM 5086 H HB2 . GLU B 1 7 ? 22.879 -4.758 -5.247 1.00 0.00 ? 7 GLU B HB2 4 ATOM 5087 H HB3 . GLU B 1 7 ? 21.874 -3.576 -6.073 1.00 0.00 ? 7 GLU B HB3 4 ATOM 5088 H HG2 . GLU B 1 7 ? 23.013 -1.998 -4.222 1.00 0.00 ? 7 GLU B HG2 4 ATOM 5089 H HG3 . GLU B 1 7 ? 24.287 -3.199 -4.430 1.00 0.00 ? 7 GLU B HG3 4 ATOM 5090 N N . ASN B 1 8 ? 19.893 -5.836 -4.396 1.00 0.00 ? 8 ASN B N 4 ATOM 5091 C CA . ASN B 1 8 ? 18.707 -6.539 -4.867 1.00 0.00 ? 8 ASN B CA 4 ATOM 5092 C C . ASN B 1 8 ? 17.504 -6.200 -3.996 1.00 0.00 ? 8 ASN B C 4 ATOM 5093 O O . ASN B 1 8 ? 16.476 -5.736 -4.492 1.00 0.00 ? 8 ASN B O 4 ATOM 5094 C CB . ASN B 1 8 ? 18.946 -8.050 -4.865 1.00 0.00 ? 8 ASN B CB 4 ATOM 5095 C CG . ASN B 1 8 ? 18.435 -8.719 -6.127 1.00 0.00 ? 8 ASN B CG 4 ATOM 5096 O OD1 . ASN B 1 8 ? 17.284 -8.530 -6.521 1.00 0.00 ? 8 ASN B OD1 4 ATOM 5097 N ND2 . ASN B 1 8 ? 19.292 -9.504 -6.768 1.00 0.00 ? 8 ASN B ND2 4 ATOM 5098 H H . ASN B 1 8 ? 20.592 -6.339 -3.929 1.00 0.00 ? 8 ASN B H 4 ATOM 5099 H HA . ASN B 1 8 ? 18.508 -6.215 -5.878 1.00 0.00 ? 8 ASN B HA 4 ATOM 5100 H HB2 . ASN B 1 8 ? 20.006 -8.241 -4.784 1.00 0.00 ? 8 ASN B HB2 4 ATOM 5101 H HB3 . ASN B 1 8 ? 18.439 -8.487 -4.017 1.00 0.00 ? 8 ASN B HB3 4 ATOM 5102 H HD21 . ASN B 1 8 ? 20.193 -9.609 -6.397 1.00 0.00 ? 8 ASN B HD21 4 ATOM 5103 H HD22 . ASN B 1 8 ? 18.987 -9.949 -7.587 1.00 0.00 ? 8 ASN B HD22 4 ATOM 5104 N N . GLU B 1 9 ? 17.642 -6.421 -2.692 1.00 0.00 ? 9 GLU B N 4 ATOM 5105 C CA . GLU B 1 9 ? 16.567 -6.123 -1.754 1.00 0.00 ? 9 GLU B CA 4 ATOM 5106 C C . GLU B 1 9 ? 16.249 -4.631 -1.765 1.00 0.00 ? 9 GLU B C 4 ATOM 5107 O O . GLU B 1 9 ? 15.141 -4.219 -1.424 1.00 0.00 ? 9 GLU B O 4 ATOM 5108 C CB . GLU B 1 9 ? 16.955 -6.567 -0.342 1.00 0.00 ? 9 GLU B CB 4 ATOM 5109 C CG . GLU B 1 9 ? 15.950 -7.510 0.297 1.00 0.00 ? 9 GLU B CG 4 ATOM 5110 C CD . GLU B 1 9 ? 15.834 -8.828 -0.444 1.00 0.00 ? 9 GLU B CD 4 ATOM 5111 O OE1 . GLU B 1 9 ? 15.474 -8.807 -1.640 1.00 0.00 ? 9 GLU B OE1 4 ATOM 5112 O OE2 . GLU B 1 9 ? 16.104 -9.881 0.171 1.00 0.00 ? 9 GLU B OE2 4 ATOM 5113 H H . GLU B 1 9 ? 18.488 -6.783 -2.353 1.00 0.00 ? 9 GLU B H 4 ATOM 5114 H HA . GLU B 1 9 ? 15.690 -6.670 -2.068 1.00 0.00 ? 9 GLU B HA 4 ATOM 5115 H HB2 . GLU B 1 9 ? 17.910 -7.068 -0.384 1.00 0.00 ? 9 GLU B HB2 4 ATOM 5116 H HB3 . GLU B 1 9 ? 17.044 -5.692 0.285 1.00 0.00 ? 9 GLU B HB3 4 ATOM 5117 H HG2 . GLU B 1 9 ? 16.259 -7.712 1.312 1.00 0.00 ? 9 GLU B HG2 4 ATOM 5118 H HG3 . GLU B 1 9 ? 14.981 -7.032 0.305 1.00 0.00 ? 9 GLU B HG3 4 ATOM 5119 N N . ILE B 1 10 ? 17.233 -3.829 -2.164 1.00 0.00 ? 10 ILE B N 4 ATOM 5120 C CA . ILE B 1 10 ? 17.069 -2.385 -2.228 1.00 0.00 ? 10 ILE B CA 4 ATOM 5121 C C . ILE B 1 10 ? 16.155 -2.007 -3.399 1.00 0.00 ? 10 ILE B C 4 ATOM 5122 O O . ILE B 1 10 ? 15.224 -1.217 -3.244 1.00 0.00 ? 10 ILE B O 4 ATOM 5123 C CB . ILE B 1 10 ? 18.471 -1.686 -2.311 1.00 0.00 ? 10 ILE B CB 4 ATOM 5124 C CG1 . ILE B 1 10 ? 18.741 -0.905 -1.026 1.00 0.00 ? 10 ILE B CG1 4 ATOM 5125 C CG2 . ILE B 1 10 ? 18.637 -0.770 -3.527 1.00 0.00 ? 10 ILE B CG2 4 ATOM 5126 C CD1 . ILE B 1 10 ? 20.046 -1.278 -0.358 1.00 0.00 ? 10 ILE B CD1 4 ATOM 5127 H H . ILE B 1 10 ? 18.091 -4.219 -2.426 1.00 0.00 ? 10 ILE B H 4 ATOM 5128 H HA . ILE B 1 10 ? 16.592 -2.070 -1.310 1.00 0.00 ? 10 ILE B HA 4 ATOM 5129 H HB . ILE B 1 10 ? 19.213 -2.464 -2.394 1.00 0.00 ? 10 ILE B HB 4 ATOM 5130 H HG12 . ILE B 1 10 ? 18.775 0.151 -1.254 1.00 0.00 ? 10 ILE B HG12 4 ATOM 5131 H HG13 . ILE B 1 10 ? 17.942 -1.091 -0.322 1.00 0.00 ? 10 ILE B HG13 4 ATOM 5132 H HG21 . ILE B 1 10 ? 17.734 -0.199 -3.679 1.00 0.00 ? 10 ILE B HG21 4 ATOM 5133 H HG22 . ILE B 1 10 ? 19.463 -0.095 -3.356 1.00 0.00 ? 10 ILE B HG22 4 ATOM 5134 H HG23 . ILE B 1 10 ? 18.839 -1.368 -4.403 1.00 0.00 ? 10 ILE B HG23 4 ATOM 5135 H HD11 . ILE B 1 10 ? 20.740 -1.642 -1.103 1.00 0.00 ? 10 ILE B HD11 4 ATOM 5136 H HD12 . ILE B 1 10 ? 20.464 -0.410 0.129 1.00 0.00 ? 10 ILE B HD12 4 ATOM 5137 H HD13 . ILE B 1 10 ? 19.867 -2.051 0.374 1.00 0.00 ? 10 ILE B HD13 4 ATOM 5138 N N . SER B 1 11 ? 16.429 -2.580 -4.565 1.00 0.00 ? 11 SER B N 4 ATOM 5139 C CA . SER B 1 11 ? 15.632 -2.305 -5.754 1.00 0.00 ? 11 SER B CA 4 ATOM 5140 C C . SER B 1 11 ? 14.207 -2.824 -5.584 1.00 0.00 ? 11 SER B C 4 ATOM 5141 O O . SER B 1 11 ? 13.276 -2.329 -6.220 1.00 0.00 ? 11 SER B O 4 ATOM 5142 C CB . SER B 1 11 ? 16.276 -2.945 -6.985 1.00 0.00 ? 11 SER B CB 4 ATOM 5143 O OG . SER B 1 11 ? 17.227 -2.075 -7.573 1.00 0.00 ? 11 SER B OG 4 ATOM 5144 H H . SER B 1 11 ? 17.182 -3.205 -4.628 1.00 0.00 ? 11 SER B H 4 ATOM 5145 H HA . SER B 1 11 ? 15.598 -1.235 -5.891 1.00 0.00 ? 11 SER B HA 4 ATOM 5146 H HB2 . SER B 1 11 ? 16.773 -3.858 -6.695 1.00 0.00 ? 11 SER B HB2 4 ATOM 5147 H HB3 . SER B 1 11 ? 15.511 -3.167 -7.715 1.00 0.00 ? 11 SER B HB3 4 ATOM 5148 H HG . SER B 1 11 ? 17.202 -2.170 -8.528 1.00 0.00 ? 11 SER B HG 4 ATOM 5149 N N . HIS B 1 12 ? 14.043 -3.822 -4.721 1.00 0.00 ? 12 HIS B N 4 ATOM 5150 C CA . HIS B 1 12 ? 12.732 -4.404 -4.472 1.00 0.00 ? 12 HIS B CA 4 ATOM 5151 C C . HIS B 1 12 ? 11.914 -3.504 -3.541 1.00 0.00 ? 12 HIS B C 4 ATOM 5152 O O . HIS B 1 12 ? 10.716 -3.315 -3.751 1.00 0.00 ? 12 HIS B O 4 ATOM 5153 C CB . HIS B 1 12 ? 12.898 -5.842 -3.923 1.00 0.00 ? 12 HIS B CB 4 ATOM 5154 C CG . HIS B 1 12 ? 12.147 -6.156 -2.657 1.00 0.00 ? 12 HIS B CG 4 ATOM 5155 N ND1 . HIS B 1 12 ? 10.774 -6.273 -2.603 1.00 0.00 ? 12 HIS B ND1 4 ATOM 5156 C CD2 . HIS B 1 12 ? 12.593 -6.378 -1.400 1.00 0.00 ? 12 HIS B CD2 4 ATOM 5157 C CE1 . HIS B 1 12 ? 10.408 -6.553 -1.364 1.00 0.00 ? 12 HIS B CE1 4 ATOM 5158 N NE2 . HIS B 1 12 ? 11.492 -6.623 -0.616 1.00 0.00 ? 12 HIS B NE2 4 ATOM 5159 H H . HIS B 1 12 ? 14.822 -4.176 -4.241 1.00 0.00 ? 12 HIS B H 4 ATOM 5160 H HA . HIS B 1 12 ? 12.221 -4.455 -5.423 1.00 0.00 ? 12 HIS B HA 4 ATOM 5161 H HB2 . HIS B 1 12 ? 12.561 -6.539 -4.675 1.00 0.00 ? 12 HIS B HB2 4 ATOM 5162 H HB3 . HIS B 1 12 ? 13.947 -6.019 -3.734 1.00 0.00 ? 12 HIS B HB3 4 ATOM 5163 H HD1 . HIS B 1 12 ? 10.159 -6.165 -3.358 1.00 0.00 ? 12 HIS B HD1 4 ATOM 5164 H HD2 . HIS B 1 12 ? 13.624 -6.364 -1.075 1.00 0.00 ? 12 HIS B HD2 4 ATOM 5165 H HE1 . HIS B 1 12 ? 9.394 -6.700 -1.022 1.00 0.00 ? 12 HIS B HE1 4 ATOM 5166 H HE2 . HIS B 1 12 ? 11.508 -6.817 0.344 1.00 0.00 ? 12 HIS B HE2 4 ATOM 5167 N N . HIS B 1 13 ? 12.564 -2.944 -2.524 1.00 0.00 ? 13 HIS B N 4 ATOM 5168 C CA . HIS B 1 13 ? 11.876 -2.059 -1.590 1.00 0.00 ? 13 HIS B CA 4 ATOM 5169 C C . HIS B 1 13 ? 11.451 -0.778 -2.296 1.00 0.00 ? 13 HIS B C 4 ATOM 5170 O O . HIS B 1 13 ? 10.474 -0.140 -1.910 1.00 0.00 ? 13 HIS B O 4 ATOM 5171 C CB . HIS B 1 13 ? 12.765 -1.711 -0.396 1.00 0.00 ? 13 HIS B CB 4 ATOM 5172 C CG . HIS B 1 13 ? 13.423 -2.889 0.245 1.00 0.00 ? 13 HIS B CG 4 ATOM 5173 N ND1 . HIS B 1 13 ? 12.864 -4.149 0.278 1.00 0.00 ? 13 HIS B ND1 4 ATOM 5174 C CD2 . HIS B 1 13 ? 14.607 -2.986 0.889 1.00 0.00 ? 13 HIS B CD2 4 ATOM 5175 C CE1 . HIS B 1 13 ? 13.677 -4.971 0.920 1.00 0.00 ? 13 HIS B CE1 4 ATOM 5176 N NE2 . HIS B 1 13 ? 14.742 -4.289 1.299 1.00 0.00 ? 13 HIS B NE2 4 ATOM 5177 H H . HIS B 1 13 ? 13.521 -3.120 -2.405 1.00 0.00 ? 13 HIS B H 4 ATOM 5178 H HA . HIS B 1 13 ? 10.994 -2.572 -1.237 1.00 0.00 ? 13 HIS B HA 4 ATOM 5179 H HB2 . HIS B 1 13 ? 13.543 -1.041 -0.720 1.00 0.00 ? 13 HIS B HB2 4 ATOM 5180 H HB3 . HIS B 1 13 ? 12.165 -1.219 0.355 1.00 0.00 ? 13 HIS B HB3 4 ATOM 5181 H HD1 . HIS B 1 13 ? 11.999 -4.402 -0.107 1.00 0.00 ? 13 HIS B HD1 4 ATOM 5182 H HD2 . HIS B 1 13 ? 15.311 -2.183 1.053 1.00 0.00 ? 13 HIS B HD2 4 ATOM 5183 H HE1 . HIS B 1 13 ? 13.501 -6.021 1.101 1.00 0.00 ? 13 HIS B HE1 4 ATOM 5184 H HE2 . HIS B 1 13 ? 15.504 -4.657 1.793 1.00 0.00 ? 13 HIS B HE2 4 ATOM 5185 N N . ALA B 1 14 ? 12.195 -0.410 -3.338 1.00 0.00 ? 14 ALA B N 4 ATOM 5186 C CA . ALA B 1 14 ? 11.893 0.793 -4.103 1.00 0.00 ? 14 ALA B CA 4 ATOM 5187 C C . ALA B 1 14 ? 10.626 0.595 -4.921 1.00 0.00 ? 14 ALA B C 4 ATOM 5188 O O . ALA B 1 14 ? 9.670 1.360 -4.799 1.00 0.00 ? 14 ALA B O 4 ATOM 5189 C CB . ALA B 1 14 ? 13.062 1.153 -5.008 1.00 0.00 ? 14 ALA B CB 4 ATOM 5190 H H . ALA B 1 14 ? 12.961 -0.962 -3.598 1.00 0.00 ? 14 ALA B H 4 ATOM 5191 H HA . ALA B 1 14 ? 11.738 1.603 -3.406 1.00 0.00 ? 14 ALA B HA 4 ATOM 5192 H HB1 . ALA B 1 14 ? 13.815 0.381 -4.948 1.00 0.00 ? 14 ALA B HB1 4 ATOM 5193 H HB2 . ALA B 1 14 ? 13.485 2.094 -4.690 1.00 0.00 ? 14 ALA B HB2 4 ATOM 5194 H HB3 . ALA B 1 14 ? 12.716 1.239 -6.026 1.00 0.00 ? 14 ALA B HB3 4 ATOM 5195 N N . LYS B 1 15 ? 10.618 -0.449 -5.741 1.00 0.00 ? 15 LYS B N 4 ATOM 5196 C CA . LYS B 1 15 ? 9.455 -0.758 -6.561 1.00 0.00 ? 15 LYS B CA 4 ATOM 5197 C C . LYS B 1 15 ? 8.307 -1.267 -5.690 1.00 0.00 ? 15 LYS B C 4 ATOM 5198 O O . LYS B 1 15 ? 7.165 -1.349 -6.141 1.00 0.00 ? 15 LYS B O 4 ATOM 5199 C CB . LYS B 1 15 ? 9.811 -1.802 -7.621 1.00 0.00 ? 15 LYS B CB 4 ATOM 5200 C CG . LYS B 1 15 ? 9.074 -1.608 -8.936 1.00 0.00 ? 15 LYS B CG 4 ATOM 5201 C CD . LYS B 1 15 ? 9.783 -2.313 -10.081 1.00 0.00 ? 15 LYS B CD 4 ATOM 5202 C CE . LYS B 1 15 ? 9.347 -1.762 -11.429 1.00 0.00 ? 15 LYS B CE 4 ATOM 5203 N NZ . LYS B 1 15 ? 10.507 -1.319 -12.250 1.00 0.00 ? 15 LYS B NZ 4 ATOM 5204 H H . LYS B 1 15 ? 11.404 -1.035 -5.784 1.00 0.00 ? 15 LYS B H 4 ATOM 5205 H HA . LYS B 1 15 ? 9.143 0.152 -7.051 1.00 0.00 ? 15 LYS B HA 4 ATOM 5206 H HB2 . LYS B 1 15 ? 10.872 -1.753 -7.816 1.00 0.00 ? 15 LYS B HB2 4 ATOM 5207 H HB3 . LYS B 1 15 ? 9.569 -2.782 -7.239 1.00 0.00 ? 15 LYS B HB3 4 ATOM 5208 H HG2 . LYS B 1 15 ? 8.077 -2.011 -8.842 1.00 0.00 ? 15 LYS B HG2 4 ATOM 5209 H HG3 . LYS B 1 15 ? 9.018 -0.551 -9.154 1.00 0.00 ? 15 LYS B HG3 4 ATOM 5210 H HD2 . LYS B 1 15 ? 10.849 -2.170 -9.974 1.00 0.00 ? 15 LYS B HD2 4 ATOM 5211 H HD3 . LYS B 1 15 ? 9.552 -3.366 -10.040 1.00 0.00 ? 15 LYS B HD3 4 ATOM 5212 H HE2 . LYS B 1 15 ? 8.815 -2.534 -11.963 1.00 0.00 ? 15 LYS B HE2 4 ATOM 5213 H HE3 . LYS B 1 15 ? 8.691 -0.921 -11.265 1.00 0.00 ? 15 LYS B HE3 4 ATOM 5214 H HZ1 . LYS B 1 15 ? 11.156 -0.746 -11.673 1.00 0.00 ? 15 LYS B HZ1 4 ATOM 5215 H HZ2 . LYS B 1 15 ? 11.025 -2.144 -12.615 1.00 0.00 ? 15 LYS B HZ2 4 ATOM 5216 H HZ3 . LYS B 1 15 ? 10.179 -0.747 -13.054 1.00 0.00 ? 15 LYS B HZ3 4 ATOM 5217 N N . GLU B 1 16 ? 8.617 -1.605 -4.436 1.00 0.00 ? 16 GLU B N 4 ATOM 5218 C CA . GLU B 1 16 ? 7.612 -2.101 -3.509 1.00 0.00 ? 16 GLU B CA 4 ATOM 5219 C C . GLU B 1 16 ? 6.900 -0.946 -2.814 1.00 0.00 ? 16 GLU B C 4 ATOM 5220 O O . GLU B 1 16 ? 5.721 -1.047 -2.487 1.00 0.00 ? 16 GLU B O 4 ATOM 5221 C CB . GLU B 1 16 ? 8.255 -3.021 -2.470 1.00 0.00 ? 16 GLU B CB 4 ATOM 5222 C CG . GLU B 1 16 ? 7.264 -3.597 -1.471 1.00 0.00 ? 16 GLU B CG 4 ATOM 5223 C CD . GLU B 1 16 ? 6.599 -4.862 -1.974 1.00 0.00 ? 16 GLU B CD 4 ATOM 5224 O OE1 . GLU B 1 16 ? 6.541 -5.052 -3.207 1.00 0.00 ? 16 GLU B OE1 4 ATOM 5225 O OE2 . GLU B 1 16 ? 6.137 -5.663 -1.136 1.00 0.00 ? 16 GLU B OE2 4 ATOM 5226 H H . GLU B 1 16 ? 9.540 -1.518 -4.128 1.00 0.00 ? 16 GLU B H 4 ATOM 5227 H HA . GLU B 1 16 ? 6.887 -2.663 -4.076 1.00 0.00 ? 16 GLU B HA 4 ATOM 5228 H HB2 . GLU B 1 16 ? 8.736 -3.841 -2.981 1.00 0.00 ? 16 GLU B HB2 4 ATOM 5229 H HB3 . GLU B 1 16 ? 9.000 -2.462 -1.923 1.00 0.00 ? 16 GLU B HB3 4 ATOM 5230 H HG2 . GLU B 1 16 ? 7.788 -3.824 -0.555 1.00 0.00 ? 16 GLU B HG2 4 ATOM 5231 H HG3 . GLU B 1 16 ? 6.500 -2.858 -1.275 1.00 0.00 ? 16 GLU B HG3 4 ATOM 5232 N N . ILE B 1 17 ? 7.618 0.154 -2.596 1.00 0.00 ? 17 ILE B N 4 ATOM 5233 C CA . ILE B 1 17 ? 7.033 1.322 -1.947 1.00 0.00 ? 17 ILE B CA 4 ATOM 5234 C C . ILE B 1 17 ? 6.156 2.090 -2.928 1.00 0.00 ? 17 ILE B C 4 ATOM 5235 O O . ILE B 1 17 ? 5.093 2.596 -2.563 1.00 0.00 ? 17 ILE B O 4 ATOM 5236 C CB . ILE B 1 17 ? 8.119 2.258 -1.375 1.00 0.00 ? 17 ILE B CB 4 ATOM 5237 C CG1 . ILE B 1 17 ? 7.485 3.511 -0.753 1.00 0.00 ? 17 ILE B CG1 4 ATOM 5238 C CG2 . ILE B 1 17 ? 9.127 2.631 -2.454 1.00 0.00 ? 17 ILE B CG2 4 ATOM 5239 C CD1 . ILE B 1 17 ? 7.098 4.580 -1.757 1.00 0.00 ? 17 ILE B CD1 4 ATOM 5240 H H . ILE B 1 17 ? 8.559 0.184 -2.882 1.00 0.00 ? 17 ILE B H 4 ATOM 5241 H HA . ILE B 1 17 ? 6.416 0.977 -1.129 1.00 0.00 ? 17 ILE B HA 4 ATOM 5242 H HB . ILE B 1 17 ? 8.648 1.717 -0.604 1.00 0.00 ? 17 ILE B HB 4 ATOM 5243 H HG12 . ILE B 1 17 ? 6.592 3.225 -0.219 1.00 0.00 ? 17 ILE B HG12 4 ATOM 5244 H HG13 . ILE B 1 17 ? 8.187 3.949 -0.058 1.00 0.00 ? 17 ILE B HG13 4 ATOM 5245 H HG21 . ILE B 1 17 ? 8.603 2.910 -3.356 1.00 0.00 ? 17 ILE B HG21 4 ATOM 5246 H HG22 . ILE B 1 17 ? 9.726 3.464 -2.114 1.00 0.00 ? 17 ILE B HG22 4 ATOM 5247 H HG23 . ILE B 1 17 ? 9.768 1.787 -2.655 1.00 0.00 ? 17 ILE B HG23 4 ATOM 5248 H HD11 . ILE B 1 17 ? 7.312 4.229 -2.756 1.00 0.00 ? 17 ILE B HD11 4 ATOM 5249 H HD12 . ILE B 1 17 ? 6.044 4.793 -1.667 1.00 0.00 ? 17 ILE B HD12 4 ATOM 5250 H HD13 . ILE B 1 17 ? 7.666 5.478 -1.562 1.00 0.00 ? 17 ILE B HD13 4 ATOM 5251 N N . GLU B 1 18 ? 6.599 2.162 -4.179 1.00 0.00 ? 18 GLU B N 4 ATOM 5252 C CA . GLU B 1 18 ? 5.845 2.858 -5.212 1.00 0.00 ? 18 GLU B CA 4 ATOM 5253 C C . GLU B 1 18 ? 4.662 2.010 -5.667 1.00 0.00 ? 18 GLU B C 4 ATOM 5254 O O . GLU B 1 18 ? 3.576 2.530 -5.934 1.00 0.00 ? 18 GLU B O 4 ATOM 5255 C CB . GLU B 1 18 ? 6.747 3.182 -6.405 1.00 0.00 ? 18 GLU B CB 4 ATOM 5256 C CG . GLU B 1 18 ? 6.663 4.631 -6.856 1.00 0.00 ? 18 GLU B CG 4 ATOM 5257 C CD . GLU B 1 18 ? 5.527 4.873 -7.832 1.00 0.00 ? 18 GLU B CD 4 ATOM 5258 O OE1 . GLU B 1 18 ? 4.415 4.360 -7.586 1.00 0.00 ? 18 GLU B OE1 4 ATOM 5259 O OE2 . GLU B 1 18 ? 5.751 5.574 -8.840 1.00 0.00 ? 18 GLU B OE2 4 ATOM 5260 H H . GLU B 1 18 ? 7.449 1.730 -4.412 1.00 0.00 ? 18 GLU B H 4 ATOM 5261 H HA . GLU B 1 18 ? 5.473 3.779 -4.791 1.00 0.00 ? 18 GLU B HA 4 ATOM 5262 H HB2 . GLU B 1 18 ? 7.771 2.970 -6.134 1.00 0.00 ? 18 GLU B HB2 4 ATOM 5263 H HB3 . GLU B 1 18 ? 6.466 2.551 -7.235 1.00 0.00 ? 18 GLU B HB3 4 ATOM 5264 H HG2 . GLU B 1 18 ? 6.511 5.256 -5.989 1.00 0.00 ? 18 GLU B HG2 4 ATOM 5265 H HG3 . GLU B 1 18 ? 7.593 4.900 -7.334 1.00 0.00 ? 18 GLU B HG3 4 ATOM 5266 N N . ARG B 1 19 ? 4.879 0.702 -5.746 1.00 0.00 ? 19 ARG B N 4 ATOM 5267 C CA . ARG B 1 19 ? 3.831 -0.221 -6.161 1.00 0.00 ? 19 ARG B CA 4 ATOM 5268 C C . ARG B 1 19 ? 2.794 -0.389 -5.058 1.00 0.00 ? 19 ARG B C 4 ATOM 5269 O O . ARG B 1 19 ? 1.619 -0.634 -5.330 1.00 0.00 ? 19 ARG B O 4 ATOM 5270 C CB . ARG B 1 19 ? 4.431 -1.580 -6.528 1.00 0.00 ? 19 ARG B CB 4 ATOM 5271 C CG . ARG B 1 19 ? 3.395 -2.608 -6.952 1.00 0.00 ? 19 ARG B CG 4 ATOM 5272 C CD . ARG B 1 19 ? 3.490 -2.915 -8.437 1.00 0.00 ? 19 ARG B CD 4 ATOM 5273 N NE . ARG B 1 19 ? 2.176 -2.961 -9.072 1.00 0.00 ? 19 ARG B NE 4 ATOM 5274 C CZ . ARG B 1 19 ? 1.973 -3.394 -10.312 1.00 0.00 ? 19 ARG B CZ 4 ATOM 5275 N NH1 . ARG B 1 19 ? 2.994 -3.817 -11.045 1.00 0.00 ? 19 ARG B NH1 4 ATOM 5276 N NH2 . ARG B 1 19 ? 0.748 -3.404 -10.820 1.00 0.00 ? 19 ARG B NH2 4 ATOM 5277 H H . ARG B 1 19 ? 5.763 0.347 -5.515 1.00 0.00 ? 19 ARG B H 4 ATOM 5278 H HA . ARG B 1 19 ? 3.347 0.197 -7.031 1.00 0.00 ? 19 ARG B HA 4 ATOM 5279 H HB2 . ARG B 1 19 ? 5.127 -1.445 -7.343 1.00 0.00 ? 19 ARG B HB2 4 ATOM 5280 H HB3 . ARG B 1 19 ? 4.963 -1.968 -5.672 1.00 0.00 ? 19 ARG B HB3 4 ATOM 5281 H HG2 . ARG B 1 19 ? 3.557 -3.519 -6.395 1.00 0.00 ? 19 ARG B HG2 4 ATOM 5282 H HG3 . ARG B 1 19 ? 2.409 -2.222 -6.735 1.00 0.00 ? 19 ARG B HG3 4 ATOM 5283 H HD2 . ARG B 1 19 ? 4.084 -2.149 -8.913 1.00 0.00 ? 19 ARG B HD2 4 ATOM 5284 H HD3 . ARG B 1 19 ? 3.974 -3.873 -8.563 1.00 0.00 ? 19 ARG B HD3 4 ATOM 5285 H HE . ARG B 1 19 ? 1.408 -2.652 -8.548 1.00 0.00 ? 19 ARG B HE 4 ATOM 5286 H HH11 . ARG B 1 19 ? 3.918 -3.811 -10.665 1.00 0.00 ? 19 ARG B HH11 4 ATOM 5287 H HH12 . ARG B 1 19 ? 2.839 -4.143 -11.977 1.00 0.00 ? 19 ARG B HH12 4 ATOM 5288 H HH21 . ARG B 1 19 ? -0.024 -3.086 -10.270 1.00 0.00 ? 19 ARG B HH21 4 ATOM 5289 H HH22 . ARG B 1 19 ? 0.597 -3.730 -11.753 1.00 0.00 ? 19 ARG B HH22 4 ATOM 5290 N N . LEU B 1 20 ? 3.232 -0.247 -3.811 1.00 0.00 ? 20 LEU B N 4 ATOM 5291 C CA . LEU B 1 20 ? 2.333 -0.374 -2.673 1.00 0.00 ? 20 LEU B CA 4 ATOM 5292 C C . LEU B 1 20 ? 1.409 0.834 -2.602 1.00 0.00 ? 20 LEU B C 4 ATOM 5293 O O . LEU B 1 20 ? 0.225 0.705 -2.296 1.00 0.00 ? 20 LEU B O 4 ATOM 5294 C CB . LEU B 1 20 ? 3.125 -0.508 -1.371 1.00 0.00 ? 20 LEU B CB 4 ATOM 5295 C CG . LEU B 1 20 ? 3.367 -1.944 -0.896 1.00 0.00 ? 20 LEU B CG 4 ATOM 5296 C CD1 . LEU B 1 20 ? 2.124 -2.496 -0.215 1.00 0.00 ? 20 LEU B CD1 4 ATOM 5297 C CD2 . LEU B 1 20 ? 3.776 -2.836 -2.061 1.00 0.00 ? 20 LEU B CD2 4 ATOM 5298 H H . LEU B 1 20 ? 4.178 -0.043 -3.653 1.00 0.00 ? 20 LEU B H 4 ATOM 5299 H HA . LEU B 1 20 ? 1.737 -1.263 -2.819 1.00 0.00 ? 20 LEU B HA 4 ATOM 5300 H HB2 . LEU B 1 20 ? 4.082 -0.027 -1.504 1.00 0.00 ? 20 LEU B HB2 4 ATOM 5301 H HB3 . LEU B 1 20 ? 2.587 0.013 -0.596 1.00 0.00 ? 20 LEU B HB3 4 ATOM 5302 H HG . LEU B 1 20 ? 4.171 -1.946 -0.175 1.00 0.00 ? 20 LEU B HG 4 ATOM 5303 H HD11 . LEU B 1 20 ? 1.267 -2.351 -0.855 1.00 0.00 ? 20 LEU B HD11 4 ATOM 5304 H HD12 . LEU B 1 20 ? 2.256 -3.550 -0.023 1.00 0.00 ? 20 LEU B HD12 4 ATOM 5305 H HD13 . LEU B 1 20 ? 1.967 -1.978 0.720 1.00 0.00 ? 20 LEU B HD13 4 ATOM 5306 H HD21 . LEU B 1 20 ? 3.939 -2.232 -2.939 1.00 0.00 ? 20 LEU B HD21 4 ATOM 5307 H HD22 . LEU B 1 20 ? 4.686 -3.360 -1.809 1.00 0.00 ? 20 LEU B HD22 4 ATOM 5308 H HD23 . LEU B 1 20 ? 2.992 -3.553 -2.258 1.00 0.00 ? 20 LEU B HD23 4 ATOM 5309 N N . GLN B 1 21 ? 1.961 2.008 -2.895 1.00 0.00 ? 21 GLN B N 4 ATOM 5310 C CA . GLN B 1 21 ? 1.188 3.241 -2.873 1.00 0.00 ? 21 GLN B CA 4 ATOM 5311 C C . GLN B 1 21 ? 0.064 3.185 -3.903 1.00 0.00 ? 21 GLN B C 4 ATOM 5312 O O . GLN B 1 21 ? -1.086 3.507 -3.601 1.00 0.00 ? 21 GLN B O 4 ATOM 5313 C CB . GLN B 1 21 ? 2.092 4.443 -3.150 1.00 0.00 ? 21 GLN B CB 4 ATOM 5314 C CG . GLN B 1 21 ? 1.714 5.685 -2.361 1.00 0.00 ? 21 GLN B CG 4 ATOM 5315 C CD . GLN B 1 21 ? 2.298 6.952 -2.953 1.00 0.00 ? 21 GLN B CD 4 ATOM 5316 O OE1 . GLN B 1 21 ? 1.591 7.941 -3.151 1.00 0.00 ? 21 GLN B OE1 4 ATOM 5317 N NE2 . GLN B 1 21 ? 3.593 6.929 -3.241 1.00 0.00 ? 21 GLN B NE2 4 ATOM 5318 H H . GLN B 1 21 ? 2.912 2.043 -3.137 1.00 0.00 ? 21 GLN B H 4 ATOM 5319 H HA . GLN B 1 21 ? 0.755 3.346 -1.889 1.00 0.00 ? 21 GLN B HA 4 ATOM 5320 H HB2 . GLN B 1 21 ? 3.110 4.179 -2.900 1.00 0.00 ? 21 GLN B HB2 4 ATOM 5321 H HB3 . GLN B 1 21 ? 2.042 4.682 -4.203 1.00 0.00 ? 21 GLN B HB3 4 ATOM 5322 H HG2 . GLN B 1 21 ? 0.638 5.775 -2.348 1.00 0.00 ? 21 GLN B HG2 4 ATOM 5323 H HG3 . GLN B 1 21 ? 2.078 5.577 -1.349 1.00 0.00 ? 21 GLN B HG3 4 ATOM 5324 H HE21 . GLN B 1 21 ? 4.094 6.106 -3.057 1.00 0.00 ? 21 GLN B HE21 4 ATOM 5325 H HE22 . GLN B 1 21 ? 3.997 7.736 -3.625 1.00 0.00 ? 21 GLN B HE22 4 ATOM 5326 N N . LYS B 1 22 ? 0.403 2.769 -5.120 1.00 0.00 ? 22 LYS B N 4 ATOM 5327 C CA . LYS B 1 22 ? -0.583 2.667 -6.188 1.00 0.00 ? 22 LYS B CA 4 ATOM 5328 C C . LYS B 1 22 ? -1.653 1.639 -5.835 1.00 0.00 ? 22 LYS B C 4 ATOM 5329 O O . LYS B 1 22 ? -2.819 1.787 -6.204 1.00 0.00 ? 22 LYS B O 4 ATOM 5330 C CB . LYS B 1 22 ? 0.098 2.282 -7.504 1.00 0.00 ? 22 LYS B CB 4 ATOM 5331 C CG . LYS B 1 22 ? -0.354 3.119 -8.689 1.00 0.00 ? 22 LYS B CG 4 ATOM 5332 C CD . LYS B 1 22 ? -1.582 2.521 -9.357 1.00 0.00 ? 22 LYS B CD 4 ATOM 5333 C CE . LYS B 1 22 ? -1.206 1.420 -10.334 1.00 0.00 ? 22 LYS B CE 4 ATOM 5334 N NZ . LYS B 1 22 ? -2.299 0.421 -10.495 1.00 0.00 ? 22 LYS B NZ 4 ATOM 5335 H H . LYS B 1 22 ? 1.337 2.521 -5.301 1.00 0.00 ? 22 LYS B H 4 ATOM 5336 H HA . LYS B 1 22 ? -1.050 3.633 -6.303 1.00 0.00 ? 22 LYS B HA 4 ATOM 5337 H HB2 . LYS B 1 22 ? 1.165 2.401 -7.392 1.00 0.00 ? 22 LYS B HB2 4 ATOM 5338 H HB3 . LYS B 1 22 ? -0.119 1.245 -7.718 1.00 0.00 ? 22 LYS B HB3 4 ATOM 5339 H HG2 . LYS B 1 22 ? -0.592 4.114 -8.346 1.00 0.00 ? 22 LYS B HG2 4 ATOM 5340 H HG3 . LYS B 1 22 ? 0.449 3.167 -9.410 1.00 0.00 ? 22 LYS B HG3 4 ATOM 5341 H HD2 . LYS B 1 22 ? -2.228 2.109 -8.597 1.00 0.00 ? 22 LYS B HD2 4 ATOM 5342 H HD3 . LYS B 1 22 ? -2.104 3.301 -9.891 1.00 0.00 ? 22 LYS B HD3 4 ATOM 5343 H HE2 . LYS B 1 22 ? -0.993 1.864 -11.294 1.00 0.00 ? 22 LYS B HE2 4 ATOM 5344 H HE3 . LYS B 1 22 ? -0.322 0.918 -9.967 1.00 0.00 ? 22 LYS B HE3 4 ATOM 5345 H HZ1 . LYS B 1 22 ? -2.838 0.337 -9.610 1.00 0.00 ? 22 LYS B HZ1 4 ATOM 5346 H HZ2 . LYS B 1 22 ? -2.943 0.717 -11.256 1.00 0.00 ? 22 LYS B HZ2 4 ATOM 5347 H HZ3 . LYS B 1 22 ? -1.901 -0.509 -10.735 1.00 0.00 ? 22 LYS B HZ3 4 ATOM 5348 N N . GLU B 1 23 ? -1.247 0.598 -5.116 1.00 0.00 ? 23 GLU B N 4 ATOM 5349 C CA . GLU B 1 23 ? -2.167 -0.457 -4.708 1.00 0.00 ? 23 GLU B CA 4 ATOM 5350 C C . GLU B 1 23 ? -3.187 0.067 -3.703 1.00 0.00 ? 23 GLU B C 4 ATOM 5351 O O . GLU B 1 23 ? -4.353 -0.333 -3.722 1.00 0.00 ? 23 GLU B O 4 ATOM 5352 C CB . GLU B 1 23 ? -1.393 -1.630 -4.102 1.00 0.00 ? 23 GLU B CB 4 ATOM 5353 C CG . GLU B 1 23 ? -2.059 -2.977 -4.327 1.00 0.00 ? 23 GLU B CG 4 ATOM 5354 C CD . GLU B 1 23 ? -1.922 -3.463 -5.757 1.00 0.00 ? 23 GLU B CD 4 ATOM 5355 O OE1 . GLU B 1 23 ? -1.782 -2.613 -6.662 1.00 0.00 ? 23 GLU B OE1 4 ATOM 5356 O OE2 . GLU B 1 23 ? -1.956 -4.693 -5.972 1.00 0.00 ? 23 GLU B OE2 4 ATOM 5357 H H . GLU B 1 23 ? -0.304 0.539 -4.852 1.00 0.00 ? 23 GLU B H 4 ATOM 5358 H HA . GLU B 1 23 ? -2.689 -0.799 -5.588 1.00 0.00 ? 23 GLU B HA 4 ATOM 5359 H HB2 . GLU B 1 23 ? -0.408 -1.661 -4.542 1.00 0.00 ? 23 GLU B HB2 4 ATOM 5360 H HB3 . GLU B 1 23 ? -1.299 -1.472 -3.038 1.00 0.00 ? 23 GLU B HB3 4 ATOM 5361 H HG2 . GLU B 1 23 ? -1.603 -3.704 -3.672 1.00 0.00 ? 23 GLU B HG2 4 ATOM 5362 H HG3 . GLU B 1 23 ? -3.109 -2.890 -4.091 1.00 0.00 ? 23 GLU B HG3 4 ATOM 5363 N N . ILE B 1 24 ? -2.748 0.967 -2.828 1.00 0.00 ? 24 ILE B N 4 ATOM 5364 C CA . ILE B 1 24 ? -3.638 1.539 -1.823 1.00 0.00 ? 24 ILE B CA 4 ATOM 5365 C C . ILE B 1 24 ? -4.721 2.381 -2.500 1.00 0.00 ? 24 ILE B C 4 ATOM 5366 O O . ILE B 1 24 ? -5.890 2.338 -2.117 1.00 0.00 ? 24 ILE B O 4 ATOM 5367 C CB . ILE B 1 24 ? -2.864 2.375 -0.749 1.00 0.00 ? 24 ILE B CB 4 ATOM 5368 C CG1 . ILE B 1 24 ? -2.796 3.869 -1.103 1.00 0.00 ? 24 ILE B CG1 4 ATOM 5369 C CG2 . ILE B 1 24 ? -1.457 1.829 -0.549 1.00 0.00 ? 24 ILE B CG2 4 ATOM 5370 C CD1 . ILE B 1 24 ? -4.043 4.630 -0.707 1.00 0.00 ? 24 ILE B CD1 4 ATOM 5371 H H . ILE B 1 24 ? -1.812 1.252 -2.863 1.00 0.00 ? 24 ILE B H 4 ATOM 5372 H HA . ILE B 1 24 ? -4.121 0.714 -1.315 1.00 0.00 ? 24 ILE B HA 4 ATOM 5373 H HB . ILE B 1 24 ? -3.389 2.266 0.189 1.00 0.00 ? 24 ILE B HB 4 ATOM 5374 H HG12 . ILE B 1 24 ? -1.958 4.317 -0.592 1.00 0.00 ? 24 ILE B HG12 4 ATOM 5375 H HG13 . ILE B 1 24 ? -2.665 3.977 -2.169 1.00 0.00 ? 24 ILE B HG13 4 ATOM 5376 H HG21 . ILE B 1 24 ? -1.444 0.774 -0.777 1.00 0.00 ? 24 ILE B HG21 4 ATOM 5377 H HG22 . ILE B 1 24 ? -0.773 2.348 -1.205 1.00 0.00 ? 24 ILE B HG22 4 ATOM 5378 H HG23 . ILE B 1 24 ? -1.156 1.979 0.477 1.00 0.00 ? 24 ILE B HG23 4 ATOM 5379 H HD11 . ILE B 1 24 ? -4.749 3.949 -0.249 1.00 0.00 ? 24 ILE B HD11 4 ATOM 5380 H HD12 . ILE B 1 24 ? -3.784 5.406 -0.003 1.00 0.00 ? 24 ILE B HD12 4 ATOM 5381 H HD13 . ILE B 1 24 ? -4.488 5.074 -1.585 1.00 0.00 ? 24 ILE B HD13 4 ATOM 5382 N N . GLU B 1 25 ? -4.314 3.140 -3.514 1.00 0.00 ? 25 GLU B N 4 ATOM 5383 C CA . GLU B 1 25 ? -5.239 3.986 -4.256 1.00 0.00 ? 25 GLU B CA 4 ATOM 5384 C C . GLU B 1 25 ? -6.344 3.145 -4.883 1.00 0.00 ? 25 GLU B C 4 ATOM 5385 O O . GLU B 1 25 ? -7.517 3.513 -4.841 1.00 0.00 ? 25 GLU B O 4 ATOM 5386 C CB . GLU B 1 25 ? -4.495 4.765 -5.342 1.00 0.00 ? 25 GLU B CB 4 ATOM 5387 C CG . GLU B 1 25 ? -5.324 5.871 -5.974 1.00 0.00 ? 25 GLU B CG 4 ATOM 5388 C CD . GLU B 1 25 ? -5.032 7.233 -5.376 1.00 0.00 ? 25 GLU B CD 4 ATOM 5389 O OE1 . GLU B 1 25 ? -5.019 7.346 -4.133 1.00 0.00 ? 25 GLU B OE1 4 ATOM 5390 O OE2 . GLU B 1 25 ? -4.816 8.188 -6.153 1.00 0.00 ? 25 GLU B OE2 4 ATOM 5391 H H . GLU B 1 25 ? -3.368 3.125 -3.773 1.00 0.00 ? 25 GLU B H 4 ATOM 5392 H HA . GLU B 1 25 ? -5.681 4.684 -3.561 1.00 0.00 ? 25 GLU B HA 4 ATOM 5393 H HB2 . GLU B 1 25 ? -3.612 5.211 -4.908 1.00 0.00 ? 25 GLU B HB2 4 ATOM 5394 H HB3 . GLU B 1 25 ? -4.195 4.079 -6.120 1.00 0.00 ? 25 GLU B HB3 4 ATOM 5395 H HG2 . GLU B 1 25 ? -5.109 5.905 -7.032 1.00 0.00 ? 25 GLU B HG2 4 ATOM 5396 H HG3 . GLU B 1 25 ? -6.370 5.646 -5.828 1.00 0.00 ? 25 GLU B HG3 4 ATOM 5397 N N . ARG B 1 26 ? -5.961 2.007 -5.455 1.00 0.00 ? 26 ARG B N 4 ATOM 5398 C CA . ARG B 1 26 ? -6.924 1.110 -6.078 1.00 0.00 ? 26 ARG B CA 4 ATOM 5399 C C . ARG B 1 26 ? -8.008 0.726 -5.078 1.00 0.00 ? 26 ARG B C 4 ATOM 5400 O O . ARG B 1 26 ? -9.201 0.842 -5.360 1.00 0.00 ? 26 ARG B O 4 ATOM 5401 C CB . ARG B 1 26 ? -6.224 -0.146 -6.601 1.00 0.00 ? 26 ARG B CB 4 ATOM 5402 C CG . ARG B 1 26 ? -7.164 -1.131 -7.276 1.00 0.00 ? 26 ARG B CG 4 ATOM 5403 C CD . ARG B 1 26 ? -6.556 -1.700 -8.548 1.00 0.00 ? 26 ARG B CD 4 ATOM 5404 N NE . ARG B 1 26 ? -6.717 -0.796 -9.683 1.00 0.00 ? 26 ARG B NE 4 ATOM 5405 C CZ . ARG B 1 26 ? -6.601 -1.179 -10.950 1.00 0.00 ? 26 ARG B CZ 4 ATOM 5406 N NH1 . ARG B 1 26 ? -6.323 -2.443 -11.241 1.00 0.00 ? 26 ARG B NH1 4 ATOM 5407 N NH2 . ARG B 1 26 ? -6.762 -0.297 -11.928 1.00 0.00 ? 26 ARG B NH2 4 ATOM 5408 H H . ARG B 1 26 ? -5.012 1.763 -5.450 1.00 0.00 ? 26 ARG B H 4 ATOM 5409 H HA . ARG B 1 26 ? -7.380 1.632 -6.906 1.00 0.00 ? 26 ARG B HA 4 ATOM 5410 H HB2 . ARG B 1 26 ? -5.471 0.148 -7.318 1.00 0.00 ? 26 ARG B HB2 4 ATOM 5411 H HB3 . ARG B 1 26 ? -5.744 -0.648 -5.773 1.00 0.00 ? 26 ARG B HB3 4 ATOM 5412 H HG2 . ARG B 1 26 ? -7.370 -1.942 -6.593 1.00 0.00 ? 26 ARG B HG2 4 ATOM 5413 H HG3 . ARG B 1 26 ? -8.084 -0.623 -7.523 1.00 0.00 ? 26 ARG B HG3 4 ATOM 5414 H HD2 . ARG B 1 26 ? -5.502 -1.870 -8.383 1.00 0.00 ? 26 ARG B HD2 4 ATOM 5415 H HD3 . ARG B 1 26 ? -7.040 -2.639 -8.775 1.00 0.00 ? 26 ARG B HD3 4 ATOM 5416 H HE . ARG B 1 26 ? -6.922 0.142 -9.490 1.00 0.00 ? 26 ARG B HE 4 ATOM 5417 H HH11 . ARG B 1 26 ? -6.201 -3.110 -10.505 1.00 0.00 ? 26 ARG B HH11 4 ATOM 5418 H HH12 . ARG B 1 26 ? -6.236 -2.728 -12.195 1.00 0.00 ? 26 ARG B HH12 4 ATOM 5419 H HH21 . ARG B 1 26 ? -6.971 0.656 -11.712 1.00 0.00 ? 26 ARG B HH21 4 ATOM 5420 H HH22 . ARG B 1 26 ? -6.673 -0.587 -12.881 1.00 0.00 ? 26 ARG B HH22 4 ATOM 5421 N N . HIS B 1 27 ? -7.581 0.281 -3.901 1.00 0.00 ? 27 HIS B N 4 ATOM 5422 C CA . HIS B 1 27 ? -8.515 -0.105 -2.852 1.00 0.00 ? 27 HIS B CA 4 ATOM 5423 C C . HIS B 1 27 ? -9.350 1.094 -2.418 1.00 0.00 ? 27 HIS B C 4 ATOM 5424 O O . HIS B 1 27 ? -10.463 0.940 -1.917 1.00 0.00 ? 27 HIS B O 4 ATOM 5425 C CB . HIS B 1 27 ? -7.762 -0.685 -1.653 1.00 0.00 ? 27 HIS B CB 4 ATOM 5426 C CG . HIS B 1 27 ? -7.706 -2.181 -1.652 1.00 0.00 ? 27 HIS B CG 4 ATOM 5427 N ND1 . HIS B 1 27 ? -8.824 -2.977 -1.797 1.00 0.00 ? 27 HIS B ND1 4 ATOM 5428 C CD2 . HIS B 1 27 ? -6.657 -3.029 -1.526 1.00 0.00 ? 27 HIS B CD2 4 ATOM 5429 C CE1 . HIS B 1 27 ? -8.466 -4.248 -1.759 1.00 0.00 ? 27 HIS B CE1 4 ATOM 5430 N NE2 . HIS B 1 27 ? -7.157 -4.307 -1.596 1.00 0.00 ? 27 HIS B NE2 4 ATOM 5431 H H . HIS B 1 27 ? -6.615 0.221 -3.730 1.00 0.00 ? 27 HIS B H 4 ATOM 5432 H HA . HIS B 1 27 ? -9.172 -0.861 -3.256 1.00 0.00 ? 27 HIS B HA 4 ATOM 5433 H HB2 . HIS B 1 27 ? -6.748 -0.315 -1.660 1.00 0.00 ? 27 HIS B HB2 4 ATOM 5434 H HB3 . HIS B 1 27 ? -8.250 -0.369 -0.744 1.00 0.00 ? 27 HIS B HB3 4 ATOM 5435 H HD1 . HIS B 1 27 ? -9.743 -2.656 -1.910 1.00 0.00 ? 27 HIS B HD1 4 ATOM 5436 H HD2 . HIS B 1 27 ? -5.620 -2.753 -1.395 1.00 0.00 ? 27 HIS B HD2 4 ATOM 5437 H HE1 . HIS B 1 27 ? -9.131 -5.095 -1.847 1.00 0.00 ? 27 HIS B HE1 4 ATOM 5438 H HE2 . HIS B 1 27 ? -6.630 -5.131 -1.535 1.00 0.00 ? 27 HIS B HE2 4 ATOM 5439 N N . LYS B 1 28 ? -8.806 2.293 -2.622 1.00 0.00 ? 28 LYS B N 4 ATOM 5440 C CA . LYS B 1 28 ? -9.500 3.521 -2.261 1.00 0.00 ? 28 LYS B CA 4 ATOM 5441 C C . LYS B 1 28 ? -10.624 3.814 -3.249 1.00 0.00 ? 28 LYS B C 4 ATOM 5442 O O . LYS B 1 28 ? -11.635 4.420 -2.895 1.00 0.00 ? 28 LYS B O 4 ATOM 5443 C CB . LYS B 1 28 ? -8.519 4.695 -2.229 1.00 0.00 ? 28 LYS B CB 4 ATOM 5444 C CG . LYS B 1 28 ? -9.048 5.909 -1.483 1.00 0.00 ? 28 LYS B CG 4 ATOM 5445 C CD . LYS B 1 28 ? -8.659 7.204 -2.180 1.00 0.00 ? 28 LYS B CD 4 ATOM 5446 C CE . LYS B 1 28 ? -9.739 7.662 -3.146 1.00 0.00 ? 28 LYS B CE 4 ATOM 5447 N NZ . LYS B 1 28 ? -10.990 8.050 -2.437 1.00 0.00 ? 28 LYS B NZ 4 ATOM 5448 H H . LYS B 1 28 ? -7.917 2.351 -3.030 1.00 0.00 ? 28 LYS B H 4 ATOM 5449 H HA . LYS B 1 28 ? -9.923 3.388 -1.278 1.00 0.00 ? 28 LYS B HA 4 ATOM 5450 H HB2 . LYS B 1 28 ? -7.607 4.373 -1.748 1.00 0.00 ? 28 LYS B HB2 4 ATOM 5451 H HB3 . LYS B 1 28 ? -8.297 4.991 -3.243 1.00 0.00 ? 28 LYS B HB3 4 ATOM 5452 H HG2 . LYS B 1 28 ? -10.125 5.849 -1.433 1.00 0.00 ? 28 LYS B HG2 4 ATOM 5453 H HG3 . LYS B 1 28 ? -8.639 5.912 -0.483 1.00 0.00 ? 28 LYS B HG3 4 ATOM 5454 H HD2 . LYS B 1 28 ? -8.507 7.971 -1.435 1.00 0.00 ? 28 LYS B HD2 4 ATOM 5455 H HD3 . LYS B 1 28 ? -7.742 7.044 -2.727 1.00 0.00 ? 28 LYS B HD3 4 ATOM 5456 H HE2 . LYS B 1 28 ? -9.371 8.514 -3.699 1.00 0.00 ? 28 LYS B HE2 4 ATOM 5457 H HE3 . LYS B 1 28 ? -9.958 6.857 -3.831 1.00 0.00 ? 28 LYS B HE3 4 ATOM 5458 H HZ1 . LYS B 1 28 ? -10.761 8.533 -1.545 1.00 0.00 ? 28 LYS B HZ1 4 ATOM 5459 H HZ2 . LYS B 1 28 ? -11.553 8.692 -3.031 1.00 0.00 ? 28 LYS B HZ2 4 ATOM 5460 H HZ3 . LYS B 1 28 ? -11.558 7.205 -2.226 1.00 0.00 ? 28 LYS B HZ3 4 ATOM 5461 N N . GLN B 1 29 ? -10.438 3.376 -4.490 1.00 0.00 ? 29 GLN B N 4 ATOM 5462 C CA . GLN B 1 29 ? -11.435 3.586 -5.532 1.00 0.00 ? 29 GLN B CA 4 ATOM 5463 C C . GLN B 1 29 ? -12.605 2.624 -5.364 1.00 0.00 ? 29 GLN B C 4 ATOM 5464 O O . GLN B 1 29 ? -13.745 2.955 -5.689 1.00 0.00 ? 29 GLN B O 4 ATOM 5465 C CB . GLN B 1 29 ? -10.805 3.408 -6.915 1.00 0.00 ? 29 GLN B CB 4 ATOM 5466 C CG . GLN B 1 29 ? -11.625 4.016 -8.040 1.00 0.00 ? 29 GLN B CG 4 ATOM 5467 C CD . GLN B 1 29 ? -10.797 4.901 -8.953 1.00 0.00 ? 29 GLN B CD 4 ATOM 5468 O OE1 . GLN B 1 29 ? -9.910 5.624 -8.498 1.00 0.00 ? 29 GLN B OE1 4 ATOM 5469 N NE2 . GLN B 1 29 ? -11.083 4.846 -10.248 1.00 0.00 ? 29 GLN B NE2 4 ATOM 5470 H H . GLN B 1 29 ? -9.612 2.899 -4.710 1.00 0.00 ? 29 GLN B H 4 ATOM 5471 H HA . GLN B 1 29 ? -11.801 4.598 -5.441 1.00 0.00 ? 29 GLN B HA 4 ATOM 5472 H HB2 . GLN B 1 29 ? -9.830 3.873 -6.916 1.00 0.00 ? 29 GLN B HB2 4 ATOM 5473 H HB3 . GLN B 1 29 ? -10.692 2.351 -7.112 1.00 0.00 ? 29 GLN B HB3 4 ATOM 5474 H HG2 . GLN B 1 29 ? -12.052 3.219 -8.629 1.00 0.00 ? 29 GLN B HG2 4 ATOM 5475 H HG3 . GLN B 1 29 ? -12.418 4.610 -7.611 1.00 0.00 ? 29 GLN B HG3 4 ATOM 5476 H HE21 . GLN B 1 29 ? -11.801 4.247 -10.539 1.00 0.00 ? 29 GLN B HE21 4 ATOM 5477 H HE22 . GLN B 1 29 ? -10.563 5.407 -10.861 1.00 0.00 ? 29 GLN B HE22 4 ATOM 5478 N N . SER B 1 30 ? -12.314 1.431 -4.855 1.00 0.00 ? 30 SER B N 4 ATOM 5479 C CA . SER B 1 30 ? -13.345 0.422 -4.642 1.00 0.00 ? 30 SER B CA 4 ATOM 5480 C C . SER B 1 30 ? -14.175 0.745 -3.403 1.00 0.00 ? 30 SER B C 4 ATOM 5481 O O . SER B 1 30 ? -15.390 0.557 -3.393 1.00 0.00 ? 30 SER B O 4 ATOM 5482 C CB . SER B 1 30 ? -12.713 -0.964 -4.500 1.00 0.00 ? 30 SER B CB 4 ATOM 5483 O OG . SER B 1 30 ? -12.415 -1.522 -5.768 1.00 0.00 ? 30 SER B OG 4 ATOM 5484 H H . SER B 1 30 ? -11.384 1.225 -4.616 1.00 0.00 ? 30 SER B H 4 ATOM 5485 H HA . SER B 1 30 ? -13.994 0.425 -5.505 1.00 0.00 ? 30 SER B HA 4 ATOM 5486 H HB2 . SER B 1 30 ? -11.796 -0.883 -3.933 1.00 0.00 ? 30 SER B HB2 4 ATOM 5487 H HB3 . SER B 1 30 ? -13.398 -1.619 -3.983 1.00 0.00 ? 30 SER B HB3 4 ATOM 5488 H HG . SER B 1 30 ? -12.608 -2.462 -5.758 1.00 0.00 ? 30 SER B HG 4 ATOM 5489 N N . ILE B 1 31 ? -13.509 1.237 -2.364 1.00 0.00 ? 31 ILE B N 4 ATOM 5490 C CA . ILE B 1 31 ? -14.182 1.592 -1.121 1.00 0.00 ? 31 ILE B CA 4 ATOM 5491 C C . ILE B 1 31 ? -14.941 2.907 -1.273 1.00 0.00 ? 31 ILE B C 4 ATOM 5492 O O . ILE B 1 31 ? -15.957 3.128 -0.615 1.00 0.00 ? 31 ILE B O 4 ATOM 5493 C CB . ILE B 1 31 ? -13.171 1.703 0.041 1.00 0.00 ? 31 ILE B CB 4 ATOM 5494 C CG1 . ILE B 1 31 ? -13.849 2.180 1.329 1.00 0.00 ? 31 ILE B CG1 4 ATOM 5495 C CG2 . ILE B 1 31 ? -12.034 2.640 -0.334 1.00 0.00 ? 31 ILE B CG2 4 ATOM 5496 C CD1 . ILE B 1 31 ? -14.637 1.103 2.036 1.00 0.00 ? 31 ILE B CD1 4 ATOM 5497 H H . ILE B 1 31 ? -12.540 1.367 -2.435 1.00 0.00 ? 31 ILE B H 4 ATOM 5498 H HA . ILE B 1 31 ? -14.886 0.806 -0.886 1.00 0.00 ? 31 ILE B HA 4 ATOM 5499 H HB . ILE B 1 31 ? -12.754 0.721 0.209 1.00 0.00 ? 31 ILE B HB 4 ATOM 5500 H HG12 . ILE B 1 31 ? -13.092 2.534 2.013 1.00 0.00 ? 31 ILE B HG12 4 ATOM 5501 H HG13 . ILE B 1 31 ? -14.525 2.991 1.100 1.00 0.00 ? 31 ILE B HG13 4 ATOM 5502 H HG21 . ILE B 1 31 ? -12.138 2.937 -1.367 1.00 0.00 ? 31 ILE B HG21 4 ATOM 5503 H HG22 . ILE B 1 31 ? -12.067 3.515 0.297 1.00 0.00 ? 31 ILE B HG22 4 ATOM 5504 H HG23 . ILE B 1 31 ? -11.090 2.134 -0.198 1.00 0.00 ? 31 ILE B HG23 4 ATOM 5505 H HD11 . ILE B 1 31 ? -14.820 0.287 1.356 1.00 0.00 ? 31 ILE B HD11 4 ATOM 5506 H HD12 . ILE B 1 31 ? -14.074 0.746 2.884 1.00 0.00 ? 31 ILE B HD12 4 ATOM 5507 H HD13 . ILE B 1 31 ? -15.579 1.508 2.374 1.00 0.00 ? 31 ILE B HD13 4 ATOM 5508 N N . LYS B 1 32 ? -14.442 3.775 -2.147 1.00 0.00 ? 32 LYS B N 4 ATOM 5509 C CA . LYS B 1 32 ? -15.076 5.065 -2.385 1.00 0.00 ? 32 LYS B CA 4 ATOM 5510 C C . LYS B 1 32 ? -16.276 4.916 -3.314 1.00 0.00 ? 32 LYS B C 4 ATOM 5511 O O . LYS B 1 32 ? -17.270 5.631 -3.181 1.00 0.00 ? 32 LYS B O 4 ATOM 5512 C CB . LYS B 1 32 ? -14.070 6.049 -2.985 1.00 0.00 ? 32 LYS B CB 4 ATOM 5513 C CG . LYS B 1 32 ? -14.517 7.500 -2.909 1.00 0.00 ? 32 LYS B CG 4 ATOM 5514 C CD . LYS B 1 32 ? -14.103 8.142 -1.595 1.00 0.00 ? 32 LYS B CD 4 ATOM 5515 C CE . LYS B 1 32 ? -15.266 8.212 -0.619 1.00 0.00 ? 32 LYS B CE 4 ATOM 5516 N NZ . LYS B 1 32 ? -16.235 9.281 -0.984 1.00 0.00 ? 32 LYS B NZ 4 ATOM 5517 H H . LYS B 1 32 ? -13.630 3.541 -2.644 1.00 0.00 ? 32 LYS B H 4 ATOM 5518 H HA . LYS B 1 32 ? -15.417 5.448 -1.435 1.00 0.00 ? 32 LYS B HA 4 ATOM 5519 H HB2 . LYS B 1 32 ? -13.133 5.956 -2.457 1.00 0.00 ? 32 LYS B HB2 4 ATOM 5520 H HB3 . LYS B 1 32 ? -13.914 5.797 -4.024 1.00 0.00 ? 32 LYS B HB3 4 ATOM 5521 H HG2 . LYS B 1 32 ? -14.067 8.048 -3.723 1.00 0.00 ? 32 LYS B HG2 4 ATOM 5522 H HG3 . LYS B 1 32 ? -15.593 7.539 -2.996 1.00 0.00 ? 32 LYS B HG3 4 ATOM 5523 H HD2 . LYS B 1 32 ? -13.310 7.557 -1.154 1.00 0.00 ? 32 LYS B HD2 4 ATOM 5524 H HD3 . LYS B 1 32 ? -13.748 9.142 -1.791 1.00 0.00 ? 32 LYS B HD3 4 ATOM 5525 H HE2 . LYS B 1 32 ? -15.777 7.261 -0.618 1.00 0.00 ? 32 LYS B HE2 4 ATOM 5526 H HE3 . LYS B 1 32 ? -14.878 8.411 0.370 1.00 0.00 ? 32 LYS B HE3 4 ATOM 5527 H HZ1 . LYS B 1 32 ? -16.224 9.437 -2.012 1.00 0.00 ? 32 LYS B HZ1 4 ATOM 5528 H HZ2 . LYS B 1 32 ? -17.196 9.006 -0.696 1.00 0.00 ? 32 LYS B HZ2 4 ATOM 5529 H HZ3 . LYS B 1 32 ? -15.981 10.171 -0.508 1.00 0.00 ? 32 LYS B HZ3 4 ATOM 5530 N N . LYS B 1 33 ? -16.180 3.981 -4.253 1.00 0.00 ? 33 LYS B N 4 ATOM 5531 C CA . LYS B 1 33 ? -17.260 3.737 -5.201 1.00 0.00 ? 33 LYS B CA 4 ATOM 5532 C C . LYS B 1 33 ? -18.360 2.902 -4.557 1.00 0.00 ? 33 LYS B C 4 ATOM 5533 O O . LYS B 1 33 ? -19.534 3.024 -4.910 1.00 0.00 ? 33 LYS B O 4 ATOM 5534 C CB . LYS B 1 33 ? -16.726 3.028 -6.447 1.00 0.00 ? 33 LYS B CB 4 ATOM 5535 C CG . LYS B 1 33 ? -17.815 2.604 -7.418 1.00 0.00 ? 33 LYS B CG 4 ATOM 5536 C CD . LYS B 1 33 ? -17.241 1.827 -8.593 1.00 0.00 ? 33 LYS B CD 4 ATOM 5537 C CE . LYS B 1 33 ? -18.319 1.041 -9.321 1.00 0.00 ? 33 LYS B CE 4 ATOM 5538 N NZ . LYS B 1 33 ? -17.831 -0.294 -9.761 1.00 0.00 ? 33 LYS B NZ 4 ATOM 5539 H H . LYS B 1 33 ? -15.364 3.439 -4.308 1.00 0.00 ? 33 LYS B H 4 ATOM 5540 H HA . LYS B 1 33 ? -17.671 4.693 -5.487 1.00 0.00 ? 33 LYS B HA 4 ATOM 5541 H HB2 . LYS B 1 33 ? -16.051 3.694 -6.965 1.00 0.00 ? 33 LYS B HB2 4 ATOM 5542 H HB3 . LYS B 1 33 ? -16.182 2.147 -6.140 1.00 0.00 ? 33 LYS B HB3 4 ATOM 5543 H HG2 . LYS B 1 33 ? -18.523 1.976 -6.899 1.00 0.00 ? 33 LYS B HG2 4 ATOM 5544 H HG3 . LYS B 1 33 ? -18.316 3.485 -7.790 1.00 0.00 ? 33 LYS B HG3 4 ATOM 5545 H HD2 . LYS B 1 33 ? -16.789 2.523 -9.284 1.00 0.00 ? 33 LYS B HD2 4 ATOM 5546 H HD3 . LYS B 1 33 ? -16.491 1.142 -8.227 1.00 0.00 ? 33 LYS B HD3 4 ATOM 5547 H HE2 . LYS B 1 33 ? -19.158 0.905 -8.655 1.00 0.00 ? 33 LYS B HE2 4 ATOM 5548 H HE3 . LYS B 1 33 ? -18.635 1.604 -10.187 1.00 0.00 ? 33 LYS B HE3 4 ATOM 5549 H HZ1 . LYS B 1 33 ? -17.404 -0.801 -8.959 1.00 0.00 ? 33 LYS B HZ1 4 ATOM 5550 H HZ2 . LYS B 1 33 ? -18.620 -0.860 -10.133 1.00 0.00 ? 33 LYS B HZ2 4 ATOM 5551 H HZ3 . LYS B 1 33 ? -17.115 -0.185 -10.508 1.00 0.00 ? 33 LYS B HZ3 4 ATOM 5552 N N . LEU B 1 34 ? -17.974 2.057 -3.608 1.00 0.00 ? 34 LEU B N 4 ATOM 5553 C CA . LEU B 1 34 ? -18.926 1.205 -2.909 1.00 0.00 ? 34 LEU B CA 4 ATOM 5554 C C . LEU B 1 34 ? -19.678 1.999 -1.848 1.00 0.00 ? 34 LEU B C 4 ATOM 5555 O O . LEU B 1 34 ? -20.845 1.728 -1.565 1.00 0.00 ? 34 LEU B O 4 ATOM 5556 C CB . LEU B 1 34 ? -18.208 0.018 -2.265 1.00 0.00 ? 34 LEU B CB 4 ATOM 5557 C CG . LEU B 1 34 ? -18.266 -1.285 -3.065 1.00 0.00 ? 34 LEU B CG 4 ATOM 5558 C CD1 . LEU B 1 34 ? -17.087 -2.180 -2.715 1.00 0.00 ? 34 LEU B CD1 4 ATOM 5559 C CD2 . LEU B 1 34 ? -19.581 -2.008 -2.809 1.00 0.00 ? 34 LEU B CD2 4 ATOM 5560 H H . LEU B 1 34 ? -17.025 2.009 -3.369 1.00 0.00 ? 34 LEU B H 4 ATOM 5561 H HA . LEU B 1 34 ? -19.636 0.836 -3.636 1.00 0.00 ? 34 LEU B HA 4 ATOM 5562 H HB2 . LEU B 1 34 ? -17.170 0.285 -2.126 1.00 0.00 ? 34 LEU B HB2 4 ATOM 5563 H HB3 . LEU B 1 34 ? -18.649 -0.161 -1.296 1.00 0.00 ? 34 LEU B HB3 4 ATOM 5564 H HG . LEU B 1 34 ? -18.210 -1.056 -4.119 1.00 0.00 ? 34 LEU B HG 4 ATOM 5565 H HD11 . LEU B 1 34 ? -16.183 -1.590 -2.688 1.00 0.00 ? 34 LEU B HD11 4 ATOM 5566 H HD12 . LEU B 1 34 ? -17.252 -2.630 -1.748 1.00 0.00 ? 34 LEU B HD12 4 ATOM 5567 H HD13 . LEU B 1 34 ? -16.990 -2.954 -3.461 1.00 0.00 ? 34 LEU B HD13 4 ATOM 5568 H HD21 . LEU B 1 34 ? -20.215 -1.392 -2.187 1.00 0.00 ? 34 LEU B HD21 4 ATOM 5569 H HD22 . LEU B 1 34 ? -20.075 -2.200 -3.749 1.00 0.00 ? 34 LEU B HD22 4 ATOM 5570 H HD23 . LEU B 1 34 ? -19.384 -2.944 -2.307 1.00 0.00 ? 34 LEU B HD23 4 ATOM 5571 N N . LYS B 1 35 ? -19.002 2.986 -1.267 1.00 0.00 ? 35 LYS B N 4 ATOM 5572 C CA . LYS B 1 35 ? -19.607 3.824 -0.240 1.00 0.00 ? 35 LYS B CA 4 ATOM 5573 C C . LYS B 1 35 ? -20.583 4.817 -0.862 1.00 0.00 ? 35 LYS B C 4 ATOM 5574 O O . LYS B 1 35 ? -21.634 5.109 -0.292 1.00 0.00 ? 35 LYS B O 4 ATOM 5575 C CB . LYS B 1 35 ? -18.527 4.572 0.543 1.00 0.00 ? 35 LYS B CB 4 ATOM 5576 C CG . LYS B 1 35 ? -18.897 4.831 1.995 1.00 0.00 ? 35 LYS B CG 4 ATOM 5577 C CD . LYS B 1 35 ? -17.967 5.850 2.633 1.00 0.00 ? 35 LYS B CD 4 ATOM 5578 C CE . LYS B 1 35 ? -16.753 5.182 3.258 1.00 0.00 ? 35 LYS B CE 4 ATOM 5579 N NZ . LYS B 1 35 ? -17.141 4.111 4.217 1.00 0.00 ? 35 LYS B NZ 4 ATOM 5580 H H . LYS B 1 35 ? -18.075 3.156 -1.537 1.00 0.00 ? 35 LYS B H 4 ATOM 5581 H HA . LYS B 1 35 ? -20.150 3.180 0.436 1.00 0.00 ? 35 LYS B HA 4 ATOM 5582 H HB2 . LYS B 1 35 ? -17.617 3.990 0.525 1.00 0.00 ? 35 LYS B HB2 4 ATOM 5583 H HB3 . LYS B 1 35 ? -18.346 5.523 0.065 1.00 0.00 ? 35 LYS B HB3 4 ATOM 5584 H HG2 . LYS B 1 35 ? -19.908 5.205 2.036 1.00 0.00 ? 35 LYS B HG2 4 ATOM 5585 H HG3 . LYS B 1 35 ? -18.832 3.903 2.544 1.00 0.00 ? 35 LYS B HG3 4 ATOM 5586 H HD2 . LYS B 1 35 ? -17.633 6.543 1.875 1.00 0.00 ? 35 LYS B HD2 4 ATOM 5587 H HD3 . LYS B 1 35 ? -18.508 6.385 3.401 1.00 0.00 ? 35 LYS B HD3 4 ATOM 5588 H HE2 . LYS B 1 35 ? -16.152 4.749 2.472 1.00 0.00 ? 35 LYS B HE2 4 ATOM 5589 H HE3 . LYS B 1 35 ? -16.176 5.931 3.781 1.00 0.00 ? 35 LYS B HE3 4 ATOM 5590 H HZ1 . LYS B 1 35 ? -18.002 4.384 4.731 1.00 0.00 ? 35 LYS B HZ1 4 ATOM 5591 H HZ2 . LYS B 1 35 ? -17.323 3.223 3.706 1.00 0.00 ? 35 LYS B HZ2 4 ATOM 5592 H HZ3 . LYS B 1 35 ? -16.376 3.952 4.904 1.00 0.00 ? 35 LYS B HZ3 4 ATOM 5593 N N . GLN B 1 36 ? -20.229 5.330 -2.035 1.00 0.00 ? 36 GLN B N 4 ATOM 5594 C CA . GLN B 1 36 ? -21.077 6.287 -2.736 1.00 0.00 ? 36 GLN B CA 4 ATOM 5595 C C . GLN B 1 36 ? -22.302 5.593 -3.320 1.00 0.00 ? 36 GLN B C 4 ATOM 5596 O O . GLN B 1 36 ? -23.386 6.174 -3.386 1.00 0.00 ? 36 GLN B O 4 ATOM 5597 C CB . GLN B 1 36 ? -20.289 6.982 -3.848 1.00 0.00 ? 36 GLN B CB 4 ATOM 5598 C CG . GLN B 1 36 ? -21.138 7.906 -4.707 1.00 0.00 ? 36 GLN B CG 4 ATOM 5599 C CD . GLN B 1 36 ? -21.511 9.189 -3.992 1.00 0.00 ? 36 GLN B CD 4 ATOM 5600 O OE1 . GLN B 1 36 ? -20.781 10.179 -4.048 1.00 0.00 ? 36 GLN B OE1 4 ATOM 5601 N NE2 . GLN B 1 36 ? -22.652 9.178 -3.313 1.00 0.00 ? 36 GLN B NE2 4 ATOM 5602 H H . GLN B 1 36 ? -19.379 5.057 -2.442 1.00 0.00 ? 36 GLN B H 4 ATOM 5603 H HA . GLN B 1 36 ? -21.404 7.026 -2.021 1.00 0.00 ? 36 GLN B HA 4 ATOM 5604 H HB2 . GLN B 1 36 ? -19.499 7.566 -3.402 1.00 0.00 ? 36 GLN B HB2 4 ATOM 5605 H HB3 . GLN B 1 36 ? -19.853 6.230 -4.488 1.00 0.00 ? 36 GLN B HB3 4 ATOM 5606 H HG2 . GLN B 1 36 ? -20.582 8.158 -5.598 1.00 0.00 ? 36 GLN B HG2 4 ATOM 5607 H HG3 . GLN B 1 36 ? -22.044 7.387 -4.984 1.00 0.00 ? 36 GLN B HG3 4 ATOM 5608 H HE21 . GLN B 1 36 ? -23.182 8.353 -3.312 1.00 0.00 ? 36 GLN B HE21 4 ATOM 5609 H HE22 . GLN B 1 36 ? -22.918 9.994 -2.840 1.00 0.00 ? 36 GLN B HE22 4 ATOM 5610 N N . SER B 1 37 ? -22.123 4.345 -3.740 1.00 0.00 ? 37 SER B N 4 ATOM 5611 C CA . SER B 1 37 ? -23.215 3.569 -4.314 1.00 0.00 ? 37 SER B CA 4 ATOM 5612 C C . SER B 1 37 ? -24.246 3.217 -3.246 1.00 0.00 ? 37 SER B C 4 ATOM 5613 O O . SER B 1 37 ? -25.433 3.076 -3.538 1.00 0.00 ? 37 SER B O 4 ATOM 5614 C CB . SER B 1 37 ? -22.677 2.291 -4.961 1.00 0.00 ? 37 SER B CB 4 ATOM 5615 O OG . SER B 1 37 ? -21.973 2.583 -6.156 1.00 0.00 ? 37 SER B OG 4 ATOM 5616 H H . SER B 1 37 ? -21.237 3.935 -3.658 1.00 0.00 ? 37 SER B H 4 ATOM 5617 H HA . SER B 1 37 ? -23.690 4.174 -5.070 1.00 0.00 ? 37 SER B HA 4 ATOM 5618 H HB2 . SER B 1 37 ? -22.006 1.798 -4.274 1.00 0.00 ? 37 SER B HB2 4 ATOM 5619 H HB3 . SER B 1 37 ? -23.501 1.634 -5.194 1.00 0.00 ? 37 SER B HB3 4 ATOM 5620 H HG . SER B 1 37 ? -22.413 2.160 -6.898 1.00 0.00 ? 37 SER B HG 4 ATOM 5621 N N . GLU B 1 38 ? -23.783 3.082 -2.008 1.00 0.00 ? 38 GLU B N 4 ATOM 5622 C CA . GLU B 1 38 ? -24.665 2.751 -0.895 1.00 0.00 ? 38 GLU B CA 4 ATOM 5623 C C . GLU B 1 38 ? -25.642 3.891 -0.625 1.00 0.00 ? 38 GLU B C 4 ATOM 5624 O O . GLU B 1 38 ? -26.741 3.673 -0.116 1.00 0.00 ? 38 GLU B O 4 ATOM 5625 C CB . GLU B 1 38 ? -23.848 2.454 0.363 1.00 0.00 ? 38 GLU B CB 4 ATOM 5626 C CG . GLU B 1 38 ? -24.093 1.067 0.934 1.00 0.00 ? 38 GLU B CG 4 ATOM 5627 C CD . GLU B 1 38 ? -23.692 0.957 2.391 1.00 0.00 ? 38 GLU B CD 4 ATOM 5628 O OE1 . GLU B 1 38 ? -22.867 1.778 2.844 1.00 0.00 ? 38 GLU B OE1 4 ATOM 5629 O OE2 . GLU B 1 38 ? -24.202 0.049 3.081 1.00 0.00 ? 38 GLU B OE2 4 ATOM 5630 H H . GLU B 1 38 ? -22.826 3.210 -1.837 1.00 0.00 ? 38 GLU B H 4 ATOM 5631 H HA . GLU B 1 38 ? -25.226 1.870 -1.167 1.00 0.00 ? 38 GLU B HA 4 ATOM 5632 H HB2 . GLU B 1 38 ? -22.798 2.541 0.124 1.00 0.00 ? 38 GLU B HB2 4 ATOM 5633 H HB3 . GLU B 1 38 ? -24.097 3.181 1.121 1.00 0.00 ? 38 GLU B HB3 4 ATOM 5634 H HG2 . GLU B 1 38 ? -25.144 0.836 0.847 1.00 0.00 ? 38 GLU B HG2 4 ATOM 5635 H HG3 . GLU B 1 38 ? -23.521 0.350 0.362 1.00 0.00 ? 38 GLU B HG3 4 ATOM 5636 N N . ASP B 1 39 ? -25.233 5.108 -0.971 1.00 0.00 ? 39 ASP B N 4 ATOM 5637 C CA . ASP B 1 39 ? -26.071 6.283 -0.770 1.00 0.00 ? 39 ASP B CA 4 ATOM 5638 C C . ASP B 1 39 ? -27.308 6.228 -1.660 1.00 0.00 ? 39 ASP B C 4 ATOM 5639 O O . ASP B 1 39 ? -28.337 6.828 -1.350 1.00 0.00 ? 39 ASP B O 4 ATOM 5640 C CB . ASP B 1 39 ? -25.277 7.558 -1.056 1.00 0.00 ? 39 ASP B CB 4 ATOM 5641 C CG . ASP B 1 39 ? -26.129 8.807 -0.946 1.00 0.00 ? 39 ASP B CG 4 ATOM 5642 O OD1 . ASP B 1 39 ? -27.100 8.797 -0.161 1.00 0.00 ? 39 ASP B OD1 4 ATOM 5643 O OD2 . ASP B 1 39 ? -25.826 9.797 -1.647 1.00 0.00 ? 39 ASP B OD2 4 ATOM 5644 H H . ASP B 1 39 ? -24.345 5.217 -1.375 1.00 0.00 ? 39 ASP B H 4 ATOM 5645 H HA . ASP B 1 39 ? -26.387 6.291 0.263 1.00 0.00 ? 39 ASP B HA 4 ATOM 5646 H HB2 . ASP B 1 39 ? -24.465 7.636 -0.350 1.00 0.00 ? 39 ASP B HB2 4 ATOM 5647 H HB3 . ASP B 1 39 ? -24.874 7.506 -2.057 1.00 0.00 ? 39 ASP B HB3 4 ATOM 5648 N N . ASP B 1 40 ? -27.200 5.503 -2.771 1.00 0.00 ? 40 ASP B N 4 ATOM 5649 C CA . ASP B 1 40 ? -28.311 5.369 -3.708 1.00 0.00 ? 40 ASP B CA 4 ATOM 5650 C C . ASP B 1 40 ? -28.551 6.675 -4.458 1.00 0.00 ? 40 ASP B C 4 ATOM 5651 O O . ASP B 1 40 ? -28.260 7.757 -3.950 1.00 0.00 ? 40 ASP B O 4 ATOM 5652 C CB . ASP B 1 40 ? -29.583 4.949 -2.971 1.00 0.00 ? 40 ASP B CB 4 ATOM 5653 C CG . ASP B 1 40 ? -30.273 3.773 -3.632 1.00 0.00 ? 40 ASP B CG 4 ATOM 5654 O OD1 . ASP B 1 40 ? -29.824 3.355 -4.721 1.00 0.00 ? 40 ASP B OD1 4 ATOM 5655 O OD2 . ASP B 1 40 ? -31.264 3.268 -3.062 1.00 0.00 ? 40 ASP B OD2 4 ATOM 5656 H H . ASP B 1 40 ? -26.355 5.048 -2.964 1.00 0.00 ? 40 ASP B H 4 ATOM 5657 H HA . ASP B 1 40 ? -28.049 4.602 -4.422 1.00 0.00 ? 40 ASP B HA 4 ATOM 5658 H HB2 . ASP B 1 40 ? -29.331 4.670 -1.959 1.00 0.00 ? 40 ASP B HB2 4 ATOM 5659 H HB3 . ASP B 1 40 ? -30.272 5.781 -2.950 1.00 0.00 ? 40 ASP B HB3 4 ATOM 5660 N N . ASP B 1 41 ? -29.084 6.566 -5.671 1.00 0.00 ? 41 ASP B N 4 ATOM 5661 C CA . ASP B 1 41 ? -29.364 7.737 -6.491 1.00 0.00 ? 41 ASP B CA 4 ATOM 5662 C C . ASP B 1 41 ? -30.840 8.117 -6.412 1.00 0.00 ? 41 ASP B C 4 ATOM 5663 O O . ASP B 1 41 ? -31.151 9.149 -5.781 1.00 0.00 ? 41 ASP B O 4 ATOM 5664 C CB . ASP B 1 41 ? -28.972 7.473 -7.946 1.00 0.00 ? 41 ASP B CB 4 ATOM 5665 C CG . ASP B 1 41 ? -28.082 8.562 -8.513 1.00 0.00 ? 41 ASP B CG 4 ATOM 5666 O OD1 . ASP B 1 41 ? -27.196 9.048 -7.778 1.00 0.00 ? 41 ASP B OD1 4 ATOM 5667 O OD2 . ASP B 1 41 ? -28.271 8.930 -9.691 1.00 0.00 ? 41 ASP B OD2 4 ATOM 5668 O OXT . ASP B 1 41 ? -31.671 7.380 -6.983 1.00 0.00 ? 41 ASP B OXT 4 ATOM 5669 H H . ASP B 1 41 ? -29.294 5.675 -6.022 1.00 0.00 ? 41 ASP B H 4 ATOM 5670 H HA . ASP B 1 41 ? -28.773 8.558 -6.111 1.00 0.00 ? 41 ASP B HA 4 ATOM 5671 H HB2 . ASP B 1 41 ? -28.439 6.535 -8.005 1.00 0.00 ? 41 ASP B HB2 4 ATOM 5672 H HB3 . ASP B 1 41 ? -29.865 7.413 -8.549 1.00 0.00 ? 41 ASP B HB3 4 ATOM 5673 N N . ALA A 1 1 ? -30.543 -10.207 4.700 1.00 0.00 ? 1 ALA A N 5 ATOM 5674 C CA . ALA A 1 1 ? -31.043 -9.008 3.980 1.00 0.00 ? 1 ALA A CA 5 ATOM 5675 C C . ALA A 1 1 ? -30.752 -9.106 2.486 1.00 0.00 ? 1 ALA A C 5 ATOM 5676 O O . ALA A 1 1 ? -30.491 -10.190 1.965 1.00 0.00 ? 1 ALA A O 5 ATOM 5677 C CB . ALA A 1 1 ? -30.418 -7.748 4.558 1.00 0.00 ? 1 ALA A CB 5 ATOM 5678 H H1 . ALA A 1 1 ? -29.604 -10.439 4.315 1.00 0.00 ? 1 ALA A H1 5 ATOM 5679 H H2 . ALA A 1 1 ? -30.487 -9.969 5.711 1.00 0.00 ? 1 ALA A H2 5 ATOM 5680 H H3 . ALA A 1 1 ? -31.218 -10.981 4.537 1.00 0.00 ? 1 ALA A H3 5 ATOM 5681 H HA . ALA A 1 1 ? -32.112 -8.947 4.124 1.00 0.00 ? 1 ALA A HA 5 ATOM 5682 H HB1 . ALA A 1 1 ? -29.994 -7.967 5.526 1.00 0.00 ? 1 ALA A HB1 5 ATOM 5683 H HB2 . ALA A 1 1 ? -31.175 -6.985 4.662 1.00 0.00 ? 1 ALA A HB2 5 ATOM 5684 H HB3 . ALA A 1 1 ? -29.640 -7.395 3.896 1.00 0.00 ? 1 ALA A HB3 5 ATOM 5685 N N . LEU A 1 2 ? -30.798 -7.968 1.803 1.00 0.00 ? 2 LEU A N 5 ATOM 5686 C CA . LEU A 1 2 ? -30.540 -7.925 0.370 1.00 0.00 ? 2 LEU A CA 5 ATOM 5687 C C . LEU A 1 2 ? -29.365 -7.005 0.055 1.00 0.00 ? 2 LEU A C 5 ATOM 5688 O O . LEU A 1 2 ? -28.523 -7.321 -0.786 1.00 0.00 ? 2 LEU A O 5 ATOM 5689 C CB . LEU A 1 2 ? -31.787 -7.456 -0.381 1.00 0.00 ? 2 LEU A CB 5 ATOM 5690 C CG . LEU A 1 2 ? -32.058 -8.176 -1.703 1.00 0.00 ? 2 LEU A CG 5 ATOM 5691 C CD1 . LEU A 1 2 ? -30.801 -8.211 -2.558 1.00 0.00 ? 2 LEU A CD1 5 ATOM 5692 C CD2 . LEU A 1 2 ? -32.569 -9.584 -1.444 1.00 0.00 ? 2 LEU A CD2 5 ATOM 5693 H H . LEU A 1 2 ? -31.012 -7.135 2.276 1.00 0.00 ? 2 LEU A H 5 ATOM 5694 H HA . LEU A 1 2 ? -30.292 -8.926 0.048 1.00 0.00 ? 2 LEU A HA 5 ATOM 5695 H HB2 . LEU A 1 2 ? -32.643 -7.594 0.264 1.00 0.00 ? 2 LEU A HB2 5 ATOM 5696 H HB3 . LEU A 1 2 ? -31.681 -6.401 -0.587 1.00 0.00 ? 2 LEU A HB3 5 ATOM 5697 H HG . LEU A 1 2 ? -32.818 -7.637 -2.249 1.00 0.00 ? 2 LEU A HG 5 ATOM 5698 H HD11 . LEU A 1 2 ? -30.445 -7.204 -2.717 1.00 0.00 ? 2 LEU A HD11 5 ATOM 5699 H HD12 . LEU A 1 2 ? -30.039 -8.788 -2.055 1.00 0.00 ? 2 LEU A HD12 5 ATOM 5700 H HD13 . LEU A 1 2 ? -31.027 -8.667 -3.511 1.00 0.00 ? 2 LEU A HD13 5 ATOM 5701 H HD21 . LEU A 1 2 ? -33.131 -9.600 -0.521 1.00 0.00 ? 2 LEU A HD21 5 ATOM 5702 H HD22 . LEU A 1 2 ? -33.208 -9.891 -2.259 1.00 0.00 ? 2 LEU A HD22 5 ATOM 5703 H HD23 . LEU A 1 2 ? -31.733 -10.263 -1.367 1.00 0.00 ? 2 LEU A HD23 5 ATOM 5704 N N . LYS A 1 3 ? -29.313 -5.865 0.737 1.00 0.00 ? 3 LYS A N 5 ATOM 5705 C CA . LYS A 1 3 ? -28.241 -4.899 0.531 1.00 0.00 ? 3 LYS A CA 5 ATOM 5706 C C . LYS A 1 3 ? -27.428 -4.707 1.807 1.00 0.00 ? 3 LYS A C 5 ATOM 5707 O O . LYS A 1 3 ? -26.834 -3.651 2.024 1.00 0.00 ? 3 LYS A O 5 ATOM 5708 C CB . LYS A 1 3 ? -28.816 -3.557 0.073 1.00 0.00 ? 3 LYS A CB 5 ATOM 5709 C CG . LYS A 1 3 ? -29.337 -3.575 -1.355 1.00 0.00 ? 3 LYS A CG 5 ATOM 5710 C CD . LYS A 1 3 ? -30.838 -3.805 -1.395 1.00 0.00 ? 3 LYS A CD 5 ATOM 5711 C CE . LYS A 1 3 ? -31.498 -2.997 -2.500 1.00 0.00 ? 3 LYS A CE 5 ATOM 5712 N NZ . LYS A 1 3 ? -32.192 -3.868 -3.487 1.00 0.00 ? 3 LYS A NZ 5 ATOM 5713 H H . LYS A 1 3 ? -30.013 -5.670 1.394 1.00 0.00 ? 3 LYS A H 5 ATOM 5714 H HA . LYS A 1 3 ? -27.591 -5.284 -0.240 1.00 0.00 ? 3 LYS A HA 5 ATOM 5715 H HB2 . LYS A 1 3 ? -29.629 -3.285 0.728 1.00 0.00 ? 3 LYS A HB2 5 ATOM 5716 H HB3 . LYS A 1 3 ? -28.043 -2.806 0.141 1.00 0.00 ? 3 LYS A HB3 5 ATOM 5717 H HG2 . LYS A 1 3 ? -29.117 -2.626 -1.820 1.00 0.00 ? 3 LYS A HG2 5 ATOM 5718 H HG3 . LYS A 1 3 ? -28.844 -4.367 -1.898 1.00 0.00 ? 3 LYS A HG3 5 ATOM 5719 H HD2 . LYS A 1 3 ? -31.026 -4.854 -1.571 1.00 0.00 ? 3 LYS A HD2 5 ATOM 5720 H HD3 . LYS A 1 3 ? -31.263 -3.516 -0.445 1.00 0.00 ? 3 LYS A HD3 5 ATOM 5721 H HE2 . LYS A 1 3 ? -32.219 -2.326 -2.057 1.00 0.00 ? 3 LYS A HE2 5 ATOM 5722 H HE3 . LYS A 1 3 ? -30.739 -2.421 -3.010 1.00 0.00 ? 3 LYS A HE3 5 ATOM 5723 H HZ1 . LYS A 1 3 ? -32.127 -4.864 -3.195 1.00 0.00 ? 3 LYS A HZ1 5 ATOM 5724 H HZ2 . LYS A 1 3 ? -33.196 -3.604 -3.554 1.00 0.00 ? 3 LYS A HZ2 5 ATOM 5725 H HZ3 . LYS A 1 3 ? -31.754 -3.765 -4.425 1.00 0.00 ? 3 LYS A HZ3 5 ATOM 5726 N N . LYS A 1 4 ? -27.407 -5.736 2.649 1.00 0.00 ? 4 LYS A N 5 ATOM 5727 C CA . LYS A 1 4 ? -26.667 -5.681 3.904 1.00 0.00 ? 4 LYS A CA 5 ATOM 5728 C C . LYS A 1 4 ? -25.234 -6.167 3.714 1.00 0.00 ? 4 LYS A C 5 ATOM 5729 O O . LYS A 1 4 ? -24.305 -5.651 4.333 1.00 0.00 ? 4 LYS A O 5 ATOM 5730 C CB . LYS A 1 4 ? -27.367 -6.523 4.972 1.00 0.00 ? 4 LYS A CB 5 ATOM 5731 C CG . LYS A 1 4 ? -27.248 -8.021 4.741 1.00 0.00 ? 4 LYS A CG 5 ATOM 5732 C CD . LYS A 1 4 ? -26.055 -8.605 5.480 1.00 0.00 ? 4 LYS A CD 5 ATOM 5733 C CE . LYS A 1 4 ? -26.072 -10.125 5.456 1.00 0.00 ? 4 LYS A CE 5 ATOM 5734 N NZ . LYS A 1 4 ? -24.800 -10.703 5.970 1.00 0.00 ? 4 LYS A NZ 5 ATOM 5735 H H . LYS A 1 4 ? -27.901 -6.551 2.421 1.00 0.00 ? 4 LYS A H 5 ATOM 5736 H HA . LYS A 1 4 ? -26.644 -4.651 4.230 1.00 0.00 ? 4 LYS A HA 5 ATOM 5737 H HB2 . LYS A 1 4 ? -26.936 -6.294 5.936 1.00 0.00 ? 4 LYS A HB2 5 ATOM 5738 H HB3 . LYS A 1 4 ? -28.416 -6.265 4.987 1.00 0.00 ? 4 LYS A HB3 5 ATOM 5739 H HG2 . LYS A 1 4 ? -28.147 -8.502 5.094 1.00 0.00 ? 4 LYS A HG2 5 ATOM 5740 H HG3 . LYS A 1 4 ? -27.130 -8.204 3.684 1.00 0.00 ? 4 LYS A HG3 5 ATOM 5741 H HD2 . LYS A 1 4 ? -25.147 -8.257 5.009 1.00 0.00 ? 4 LYS A HD2 5 ATOM 5742 H HD3 . LYS A 1 4 ? -26.080 -8.270 6.507 1.00 0.00 ? 4 LYS A HD3 5 ATOM 5743 H HE2 . LYS A 1 4 ? -26.889 -10.472 6.070 1.00 0.00 ? 4 LYS A HE2 5 ATOM 5744 H HE3 . LYS A 1 4 ? -26.222 -10.454 4.438 1.00 0.00 ? 4 LYS A HE3 5 ATOM 5745 H HZ1 . LYS A 1 4 ? -24.427 -10.117 6.744 1.00 0.00 ? 4 LYS A HZ1 5 ATOM 5746 H HZ2 . LYS A 1 4 ? -24.964 -11.666 6.328 1.00 0.00 ? 4 LYS A HZ2 5 ATOM 5747 H HZ3 . LYS A 1 4 ? -24.092 -10.743 5.208 1.00 0.00 ? 4 LYS A HZ3 5 ATOM 5748 N N . HIS A 1 5 ? -25.063 -7.163 2.850 1.00 0.00 ? 5 HIS A N 5 ATOM 5749 C CA . HIS A 1 5 ? -23.743 -7.718 2.576 1.00 0.00 ? 5 HIS A CA 5 ATOM 5750 C C . HIS A 1 5 ? -22.801 -6.641 2.047 1.00 0.00 ? 5 HIS A C 5 ATOM 5751 O O . HIS A 1 5 ? -21.583 -6.743 2.188 1.00 0.00 ? 5 HIS A O 5 ATOM 5752 C CB . HIS A 1 5 ? -23.846 -8.863 1.568 1.00 0.00 ? 5 HIS A CB 5 ATOM 5753 C CG . HIS A 1 5 ? -24.677 -8.531 0.367 1.00 0.00 ? 5 HIS A CG 5 ATOM 5754 N ND1 . HIS A 1 5 ? -25.754 -9.291 -0.037 1.00 0.00 ? 5 HIS A ND1 5 ATOM 5755 C CD2 . HIS A 1 5 ? -24.583 -7.513 -0.522 1.00 0.00 ? 5 HIS A CD2 5 ATOM 5756 C CE1 . HIS A 1 5 ? -26.287 -8.756 -1.120 1.00 0.00 ? 5 HIS A CE1 5 ATOM 5757 N NE2 . HIS A 1 5 ? -25.595 -7.677 -1.434 1.00 0.00 ? 5 HIS A NE2 5 ATOM 5758 H H . HIS A 1 5 ? -25.843 -7.532 2.385 1.00 0.00 ? 5 HIS A H 5 ATOM 5759 H HA . HIS A 1 5 ? -23.346 -8.101 3.504 1.00 0.00 ? 5 HIS A HA 5 ATOM 5760 H HB2 . HIS A 1 5 ? -22.855 -9.122 1.225 1.00 0.00 ? 5 HIS A HB2 5 ATOM 5761 H HB3 . HIS A 1 5 ? -24.289 -9.721 2.052 1.00 0.00 ? 5 HIS A HB3 5 ATOM 5762 H HD1 . HIS A 1 5 ? -26.081 -10.102 0.406 1.00 0.00 ? 5 HIS A HD1 5 ATOM 5763 H HD2 . HIS A 1 5 ? -23.848 -6.720 -0.513 1.00 0.00 ? 5 HIS A HD2 5 ATOM 5764 H HE1 . HIS A 1 5 ? -27.144 -9.135 -1.658 1.00 0.00 ? 5 HIS A HE1 5 ATOM 5765 H HE2 . HIS A 1 5 ? -25.776 -7.088 -2.197 1.00 0.00 ? 5 HIS A HE2 5 ATOM 5766 N N . HIS A 1 6 ? -23.376 -5.609 1.437 1.00 0.00 ? 6 HIS A N 5 ATOM 5767 C CA . HIS A 1 6 ? -22.587 -4.512 0.887 1.00 0.00 ? 6 HIS A CA 5 ATOM 5768 C C . HIS A 1 6 ? -21.803 -3.804 1.985 1.00 0.00 ? 6 HIS A C 5 ATOM 5769 O O . HIS A 1 6 ? -20.653 -3.415 1.785 1.00 0.00 ? 6 HIS A O 5 ATOM 5770 C CB . HIS A 1 6 ? -23.495 -3.515 0.165 1.00 0.00 ? 6 HIS A CB 5 ATOM 5771 C CG . HIS A 1 6 ? -23.151 -3.330 -1.280 1.00 0.00 ? 6 HIS A CG 5 ATOM 5772 N ND1 . HIS A 1 6 ? -22.541 -4.306 -2.040 1.00 0.00 ? 6 HIS A ND1 5 ATOM 5773 C CD2 . HIS A 1 6 ? -23.336 -2.273 -2.108 1.00 0.00 ? 6 HIS A CD2 5 ATOM 5774 C CE1 . HIS A 1 6 ? -22.365 -3.857 -3.271 1.00 0.00 ? 6 HIS A CE1 5 ATOM 5775 N NE2 . HIS A 1 6 ? -22.839 -2.628 -3.336 1.00 0.00 ? 6 HIS A NE2 5 ATOM 5776 H H . HIS A 1 6 ? -24.352 -5.583 1.355 1.00 0.00 ? 6 HIS A H 5 ATOM 5777 H HA . HIS A 1 6 ? -21.889 -4.931 0.177 1.00 0.00 ? 6 HIS A HA 5 ATOM 5778 H HB2 . HIS A 1 6 ? -24.516 -3.861 0.221 1.00 0.00 ? 6 HIS A HB2 5 ATOM 5779 H HB3 . HIS A 1 6 ? -23.419 -2.553 0.652 1.00 0.00 ? 6 HIS A HB3 5 ATOM 5780 H HD1 . HIS A 1 6 ? -22.276 -5.195 -1.724 1.00 0.00 ? 6 HIS A HD1 5 ATOM 5781 H HD2 . HIS A 1 6 ? -23.790 -1.327 -1.848 1.00 0.00 ? 6 HIS A HD2 5 ATOM 5782 H HE1 . HIS A 1 6 ? -21.911 -4.405 -4.084 1.00 0.00 ? 6 HIS A HE1 5 ATOM 5783 H HE2 . HIS A 1 6 ? -22.835 -2.061 -4.136 1.00 0.00 ? 6 HIS A HE2 5 ATOM 5784 N N . GLU A 1 7 ? -22.430 -3.643 3.146 1.00 0.00 ? 7 GLU A N 5 ATOM 5785 C CA . GLU A 1 7 ? -21.786 -2.986 4.277 1.00 0.00 ? 7 GLU A CA 5 ATOM 5786 C C . GLU A 1 7 ? -20.569 -3.780 4.739 1.00 0.00 ? 7 GLU A C 5 ATOM 5787 O O . GLU A 1 7 ? -19.630 -3.222 5.306 1.00 0.00 ? 7 GLU A O 5 ATOM 5788 C CB . GLU A 1 7 ? -22.775 -2.823 5.432 1.00 0.00 ? 7 GLU A CB 5 ATOM 5789 C CG . GLU A 1 7 ? -23.379 -1.432 5.526 1.00 0.00 ? 7 GLU A CG 5 ATOM 5790 C CD . GLU A 1 7 ? -22.740 -0.590 6.613 1.00 0.00 ? 7 GLU A CD 5 ATOM 5791 O OE1 . GLU A 1 7 ? -21.818 -1.093 7.287 1.00 0.00 ? 7 GLU A OE1 5 ATOM 5792 O OE2 . GLU A 1 7 ? -23.163 0.572 6.790 1.00 0.00 ? 7 GLU A OE2 5 ATOM 5793 H H . GLU A 1 7 ? -23.345 -3.976 3.247 1.00 0.00 ? 7 GLU A H 5 ATOM 5794 H HA . GLU A 1 7 ? -21.460 -2.009 3.952 1.00 0.00 ? 7 GLU A HA 5 ATOM 5795 H HB2 . GLU A 1 7 ? -23.579 -3.534 5.306 1.00 0.00 ? 7 GLU A HB2 5 ATOM 5796 H HB3 . GLU A 1 7 ? -22.264 -3.033 6.361 1.00 0.00 ? 7 GLU A HB3 5 ATOM 5797 H HG2 . GLU A 1 7 ? -23.245 -0.930 4.578 1.00 0.00 ? 7 GLU A HG2 5 ATOM 5798 H HG3 . GLU A 1 7 ? -24.434 -1.525 5.736 1.00 0.00 ? 7 GLU A HG3 5 ATOM 5799 N N . ASN A 1 8 ? -20.592 -5.084 4.486 1.00 0.00 ? 8 ASN A N 5 ATOM 5800 C CA . ASN A 1 8 ? -19.488 -5.956 4.870 1.00 0.00 ? 8 ASN A CA 5 ATOM 5801 C C . ASN A 1 8 ? -18.281 -5.712 3.972 1.00 0.00 ? 8 ASN A C 5 ATOM 5802 O O . ASN A 1 8 ? -17.195 -5.386 4.450 1.00 0.00 ? 8 ASN A O 5 ATOM 5803 C CB . ASN A 1 8 ? -19.912 -7.423 4.792 1.00 0.00 ? 8 ASN A CB 5 ATOM 5804 C CG . ASN A 1 8 ? -19.342 -8.251 5.927 1.00 0.00 ? 8 ASN A CG 5 ATOM 5805 O OD1 . ASN A 1 8 ? -18.451 -7.804 6.649 1.00 0.00 ? 8 ASN A OD1 5 ATOM 5806 N ND2 . ASN A 1 8 ? -19.854 -9.466 6.089 1.00 0.00 ? 8 ASN A ND2 5 ATOM 5807 H H . ASN A 1 8 ? -21.367 -5.469 4.026 1.00 0.00 ? 8 ASN A H 5 ATOM 5808 H HA . ASN A 1 8 ? -19.217 -5.720 5.888 1.00 0.00 ? 8 ASN A HA 5 ATOM 5809 H HB2 . ASN A 1 8 ? -20.989 -7.483 4.834 1.00 0.00 ? 8 ASN A HB2 5 ATOM 5810 H HB3 . ASN A 1 8 ? -19.569 -7.841 3.857 1.00 0.00 ? 8 ASN A HB3 5 ATOM 5811 H HD21 . ASN A 1 8 ? -20.561 -9.755 5.475 1.00 0.00 ? 8 ASN A HD21 5 ATOM 5812 H HD22 . ASN A 1 8 ? -19.504 -10.023 6.815 1.00 0.00 ? 8 ASN A HD22 5 ATOM 5813 N N . GLU A 1 9 ? -18.484 -5.858 2.667 1.00 0.00 ? 9 GLU A N 5 ATOM 5814 C CA . GLU A 1 9 ? -17.414 -5.639 1.701 1.00 0.00 ? 9 GLU A CA 5 ATOM 5815 C C . GLU A 1 9 ? -16.928 -4.192 1.759 1.00 0.00 ? 9 GLU A C 5 ATOM 5816 O O . GLU A 1 9 ? -15.814 -3.884 1.336 1.00 0.00 ? 9 GLU A O 5 ATOM 5817 C CB . GLU A 1 9 ? -17.897 -5.971 0.288 1.00 0.00 ? 9 GLU A CB 5 ATOM 5818 C CG . GLU A 1 9 ? -17.049 -7.018 -0.414 1.00 0.00 ? 9 GLU A CG 5 ATOM 5819 C CD . GLU A 1 9 ? -16.718 -6.637 -1.844 1.00 0.00 ? 9 GLU A CD 5 ATOM 5820 O OE1 . GLU A 1 9 ? -17.488 -5.859 -2.445 1.00 0.00 ? 9 GLU A OE1 5 ATOM 5821 O OE2 . GLU A 1 9 ? -15.686 -7.115 -2.362 1.00 0.00 ? 9 GLU A OE2 5 ATOM 5822 H H . GLU A 1 9 ? -19.376 -6.109 2.345 1.00 0.00 ? 9 GLU A H 5 ATOM 5823 H HA . GLU A 1 9 ? -16.595 -6.293 1.958 1.00 0.00 ? 9 GLU A HA 5 ATOM 5824 H HB2 . GLU A 1 9 ? -18.911 -6.339 0.344 1.00 0.00 ? 9 GLU A HB2 5 ATOM 5825 H HB3 . GLU A 1 9 ? -17.883 -5.070 -0.306 1.00 0.00 ? 9 GLU A HB3 5 ATOM 5826 H HG2 . GLU A 1 9 ? -16.126 -7.142 0.132 1.00 0.00 ? 9 GLU A HG2 5 ATOM 5827 H HG3 . GLU A 1 9 ? -17.589 -7.954 -0.422 1.00 0.00 ? 9 GLU A HG3 5 ATOM 5828 N N . ILE A 1 10 ? -17.774 -3.309 2.285 1.00 0.00 ? 10 ILE A N 5 ATOM 5829 C CA . ILE A 1 10 ? -17.439 -1.899 2.400 1.00 0.00 ? 10 ILE A CA 5 ATOM 5830 C C . ILE A 1 10 ? -16.454 -1.676 3.552 1.00 0.00 ? 10 ILE A C 5 ATOM 5831 O O . ILE A 1 10 ? -15.458 -0.968 3.403 1.00 0.00 ? 10 ILE A O 5 ATOM 5832 C CB . ILE A 1 10 ? -18.743 -1.043 2.554 1.00 0.00 ? 10 ILE A CB 5 ATOM 5833 C CG1 . ILE A 1 10 ? -18.969 -0.215 1.291 1.00 0.00 ? 10 ILE A CG1 5 ATOM 5834 C CG2 . ILE A 1 10 ? -18.751 -0.134 3.786 1.00 0.00 ? 10 ILE A CG2 5 ATOM 5835 C CD1 . ILE A 1 10 ? -20.417 -0.166 0.853 1.00 0.00 ? 10 ILE A CD1 5 ATOM 5836 H H . ILE A 1 10 ? -18.647 -3.615 2.604 1.00 0.00 ? 10 ILE A H 5 ATOM 5837 H HA . ILE A 1 10 ? -16.954 -1.606 1.479 1.00 0.00 ? 10 ILE A HA 5 ATOM 5838 H HB . ILE A 1 10 ? -19.569 -1.729 2.658 1.00 0.00 ? 10 ILE A HB 5 ATOM 5839 H HG12 . ILE A 1 10 ? -18.641 0.798 1.468 1.00 0.00 ? 10 ILE A HG12 5 ATOM 5840 H HG13 . ILE A 1 10 ? -18.391 -0.641 0.483 1.00 0.00 ? 10 ILE A HG13 5 ATOM 5841 H HG21 . ILE A 1 10 ? -17.778 0.313 3.914 1.00 0.00 ? 10 ILE A HG21 5 ATOM 5842 H HG22 . ILE A 1 10 ? -19.487 0.644 3.653 1.00 0.00 ? 10 ILE A HG22 5 ATOM 5843 H HG23 . ILE A 1 10 ? -19.000 -0.716 4.660 1.00 0.00 ? 10 ILE A HG23 5 ATOM 5844 H HD11 . ILE A 1 10 ? -20.830 -1.164 0.863 1.00 0.00 ? 10 ILE A HD11 5 ATOM 5845 H HD12 . ILE A 1 10 ? -20.976 0.462 1.531 1.00 0.00 ? 10 ILE A HD12 5 ATOM 5846 H HD13 . ILE A 1 10 ? -20.478 0.239 -0.146 1.00 0.00 ? 10 ILE A HD13 5 ATOM 5847 N N . SER A 1 11 ? -16.741 -2.288 4.697 1.00 0.00 ? 11 SER A N 5 ATOM 5848 C CA . SER A 1 11 ? -15.881 -2.157 5.865 1.00 0.00 ? 11 SER A CA 5 ATOM 5849 C C . SER A 1 11 ? -14.543 -2.849 5.630 1.00 0.00 ? 11 SER A C 5 ATOM 5850 O O . SER A 1 11 ? -13.532 -2.491 6.236 1.00 0.00 ? 11 SER A O 5 ATOM 5851 C CB . SER A 1 11 ? -16.565 -2.749 7.099 1.00 0.00 ? 11 SER A CB 5 ATOM 5852 O OG . SER A 1 11 ? -16.189 -2.055 8.276 1.00 0.00 ? 11 SER A OG 5 ATOM 5853 H H . SER A 1 11 ? -17.548 -2.841 4.755 1.00 0.00 ? 11 SER A H 5 ATOM 5854 H HA . SER A 1 11 ? -15.704 -1.105 6.031 1.00 0.00 ? 11 SER A HA 5 ATOM 5855 H HB2 . SER A 1 11 ? -17.636 -2.677 6.982 1.00 0.00 ? 11 SER A HB2 5 ATOM 5856 H HB3 . SER A 1 11 ? -16.284 -3.787 7.201 1.00 0.00 ? 11 SER A HB3 5 ATOM 5857 H HG . SER A 1 11 ? -15.288 -1.732 8.185 1.00 0.00 ? 11 SER A HG 5 ATOM 5858 N N . HIS A 1 12 ? -14.542 -3.839 4.742 1.00 0.00 ? 12 HIS A N 5 ATOM 5859 C CA . HIS A 1 12 ? -13.328 -4.577 4.428 1.00 0.00 ? 12 HIS A CA 5 ATOM 5860 C C . HIS A 1 12 ? -12.415 -3.738 3.527 1.00 0.00 ? 12 HIS A C 5 ATOM 5861 O O . HIS A 1 12 ? -11.212 -3.643 3.771 1.00 0.00 ? 12 HIS A O 5 ATOM 5862 C CB . HIS A 1 12 ? -13.699 -5.943 3.801 1.00 0.00 ? 12 HIS A CB 5 ATOM 5863 C CG . HIS A 1 12 ? -12.995 -6.294 2.519 1.00 0.00 ? 12 HIS A CG 5 ATOM 5864 N ND1 . HIS A 1 12 ? -11.669 -6.667 2.462 1.00 0.00 ? 12 HIS A ND1 5 ATOM 5865 C CD2 . HIS A 1 12 ? -13.449 -6.328 1.245 1.00 0.00 ? 12 HIS A CD2 5 ATOM 5866 C CE1 . HIS A 1 12 ? -11.337 -6.914 1.207 1.00 0.00 ? 12 HIS A CE1 5 ATOM 5867 N NE2 . HIS A 1 12 ? -12.400 -6.716 0.451 1.00 0.00 ? 12 HIS A NE2 5 ATOM 5868 H H . HIS A 1 12 ? -15.378 -4.078 4.288 1.00 0.00 ? 12 HIS A H 5 ATOM 5869 H HA . HIS A 1 12 ? -12.810 -4.754 5.360 1.00 0.00 ? 12 HIS A HA 5 ATOM 5870 H HB2 . HIS A 1 12 ? -13.472 -6.721 4.513 1.00 0.00 ? 12 HIS A HB2 5 ATOM 5871 H HB3 . HIS A 1 12 ? -14.762 -5.953 3.605 1.00 0.00 ? 12 HIS A HB3 5 ATOM 5872 H HD1 . HIS A 1 12 ? -11.060 -6.739 3.228 1.00 0.00 ? 12 HIS A HD1 5 ATOM 5873 H HD2 . HIS A 1 12 ? -14.451 -6.091 0.917 1.00 0.00 ? 12 HIS A HD2 5 ATOM 5874 H HE1 . HIS A 1 12 ? -10.362 -7.226 0.860 1.00 0.00 ? 12 HIS A HE1 5 ATOM 5875 H HE2 . HIS A 1 12 ? -12.432 -6.830 -0.522 1.00 0.00 ? 12 HIS A HE2 5 ATOM 5876 N N . HIS A 1 13 ? -12.992 -3.123 2.497 1.00 0.00 ? 13 HIS A N 5 ATOM 5877 C CA . HIS A 1 13 ? -12.212 -2.290 1.590 1.00 0.00 ? 13 HIS A CA 5 ATOM 5878 C C . HIS A 1 13 ? -11.616 -1.110 2.344 1.00 0.00 ? 13 HIS A C 5 ATOM 5879 O O . HIS A 1 13 ? -10.538 -0.625 2.006 1.00 0.00 ? 13 HIS A O 5 ATOM 5880 C CB . HIS A 1 13 ? -13.072 -1.776 0.436 1.00 0.00 ? 13 HIS A CB 5 ATOM 5881 C CG . HIS A 1 13 ? -13.804 -2.844 -0.308 1.00 0.00 ? 13 HIS A CG 5 ATOM 5882 N ND1 . HIS A 1 13 ? -13.337 -4.134 -0.444 1.00 0.00 ? 13 HIS A ND1 5 ATOM 5883 C CD2 . HIS A 1 13 ? -14.983 -2.798 -0.965 1.00 0.00 ? 13 HIS A CD2 5 ATOM 5884 C CE1 . HIS A 1 13 ? -14.199 -4.837 -1.157 1.00 0.00 ? 13 HIS A CE1 5 ATOM 5885 N NE2 . HIS A 1 13 ? -15.207 -4.050 -1.484 1.00 0.00 ? 13 HIS A NE2 5 ATOM 5886 H H . HIS A 1 13 ? -13.957 -3.223 2.351 1.00 0.00 ? 13 HIS A H 5 ATOM 5887 H HA . HIS A 1 13 ? -11.409 -2.893 1.192 1.00 0.00 ? 13 HIS A HA 5 ATOM 5888 H HB2 . HIS A 1 13 ? -13.806 -1.089 0.824 1.00 0.00 ? 13 HIS A HB2 5 ATOM 5889 H HB3 . HIS A 1 13 ? -12.439 -1.256 -0.267 1.00 0.00 ? 13 HIS A HB3 5 ATOM 5890 H HD1 . HIS A 1 13 ? -12.499 -4.481 -0.075 1.00 0.00 ? 13 HIS A HD1 5 ATOM 5891 H HD2 . HIS A 1 13 ? -15.624 -1.934 -1.064 1.00 0.00 ? 13 HIS A HD2 5 ATOM 5892 H HE1 . HIS A 1 13 ? -14.098 -5.878 -1.424 1.00 0.00 ? 13 HIS A HE1 5 ATOM 5893 H HE2 . HIS A 1 13 ? -15.988 -4.317 -2.012 1.00 0.00 ? 13 HIS A HE2 5 ATOM 5894 N N . ALA A 1 14 ? -12.329 -0.653 3.371 1.00 0.00 ? 14 ALA A N 5 ATOM 5895 C CA . ALA A 1 14 ? -11.870 0.468 4.179 1.00 0.00 ? 14 ALA A CA 5 ATOM 5896 C C . ALA A 1 14 ? -10.598 0.098 4.926 1.00 0.00 ? 14 ALA A C 5 ATOM 5897 O O . ALA A 1 14 ? -9.576 0.776 4.811 1.00 0.00 ? 14 ALA A O 5 ATOM 5898 C CB . ALA A 1 14 ? -12.955 0.899 5.155 1.00 0.00 ? 14 ALA A CB 5 ATOM 5899 H H . ALA A 1 14 ? -13.181 -1.085 3.593 1.00 0.00 ? 14 ALA A H 5 ATOM 5900 H HA . ALA A 1 14 ? -11.660 1.295 3.517 1.00 0.00 ? 14 ALA A HA 5 ATOM 5901 H HB1 . ALA A 1 14 ? -13.798 0.229 5.076 1.00 0.00 ? 14 ALA A HB1 5 ATOM 5902 H HB2 . ALA A 1 14 ? -13.272 1.905 4.920 1.00 0.00 ? 14 ALA A HB2 5 ATOM 5903 H HB3 . ALA A 1 14 ? -12.566 0.871 6.161 1.00 0.00 ? 14 ALA A HB3 5 ATOM 5904 N N . LYS A 1 15 ? -10.661 -0.994 5.681 1.00 0.00 ? 15 LYS A N 5 ATOM 5905 C CA . LYS A 1 15 ? -9.507 -1.465 6.432 1.00 0.00 ? 15 LYS A CA 5 ATOM 5906 C C . LYS A 1 15 ? -8.404 -1.938 5.486 1.00 0.00 ? 15 LYS A C 5 ATOM 5907 O O . LYS A 1 15 ? -7.252 -2.094 5.891 1.00 0.00 ? 15 LYS A O 5 ATOM 5908 C CB . LYS A 1 15 ? -9.912 -2.601 7.373 1.00 0.00 ? 15 LYS A CB 5 ATOM 5909 C CG . LYS A 1 15 ? -10.679 -2.132 8.599 1.00 0.00 ? 15 LYS A CG 5 ATOM 5910 C CD . LYS A 1 15 ? -10.778 -3.228 9.647 1.00 0.00 ? 15 LYS A CD 5 ATOM 5911 C CE . LYS A 1 15 ? -11.446 -4.474 9.089 1.00 0.00 ? 15 LYS A CE 5 ATOM 5912 N NZ . LYS A 1 15 ? -12.598 -4.910 9.927 1.00 0.00 ? 15 LYS A NZ 5 ATOM 5913 H H . LYS A 1 15 ? -11.501 -1.502 5.724 1.00 0.00 ? 15 LYS A H 5 ATOM 5914 H HA . LYS A 1 15 ? -9.132 -0.638 7.018 1.00 0.00 ? 15 LYS A HA 5 ATOM 5915 H HB2 . LYS A 1 15 ? -10.533 -3.297 6.831 1.00 0.00 ? 15 LYS A HB2 5 ATOM 5916 H HB3 . LYS A 1 15 ? -9.020 -3.111 7.707 1.00 0.00 ? 15 LYS A HB3 5 ATOM 5917 H HG2 . LYS A 1 15 ? -10.169 -1.282 9.028 1.00 0.00 ? 15 LYS A HG2 5 ATOM 5918 H HG3 . LYS A 1 15 ? -11.676 -1.842 8.298 1.00 0.00 ? 15 LYS A HG3 5 ATOM 5919 H HD2 . LYS A 1 15 ? -9.783 -3.485 9.981 1.00 0.00 ? 15 LYS A HD2 5 ATOM 5920 H HD3 . LYS A 1 15 ? -11.358 -2.862 10.483 1.00 0.00 ? 15 LYS A HD3 5 ATOM 5921 H HE2 . LYS A 1 15 ? -11.799 -4.261 8.091 1.00 0.00 ? 15 LYS A HE2 5 ATOM 5922 H HE3 . LYS A 1 15 ? -10.718 -5.271 9.050 1.00 0.00 ? 15 LYS A HE3 5 ATOM 5923 H HZ1 . LYS A 1 15 ? -12.856 -4.159 10.599 1.00 0.00 ? 15 LYS A HZ1 5 ATOM 5924 H HZ2 . LYS A 1 15 ? -13.420 -5.117 9.325 1.00 0.00 ? 15 LYS A HZ2 5 ATOM 5925 H HZ3 . LYS A 1 15 ? -12.348 -5.767 10.460 1.00 0.00 ? 15 LYS A HZ3 5 ATOM 5926 N N . GLU A 1 16 ? -8.765 -2.171 4.222 1.00 0.00 ? 16 GLU A N 5 ATOM 5927 C CA . GLU A 1 16 ? -7.805 -2.629 3.227 1.00 0.00 ? 16 GLU A CA 5 ATOM 5928 C C . GLU A 1 16 ? -7.001 -1.466 2.658 1.00 0.00 ? 16 GLU A C 5 ATOM 5929 O O . GLU A 1 16 ? -5.829 -1.622 2.327 1.00 0.00 ? 16 GLU A O 5 ATOM 5930 C CB . GLU A 1 16 ? -8.524 -3.371 2.098 1.00 0.00 ? 16 GLU A CB 5 ATOM 5931 C CG . GLU A 1 16 ? -8.505 -4.882 2.253 1.00 0.00 ? 16 GLU A CG 5 ATOM 5932 C CD . GLU A 1 16 ? -7.112 -5.465 2.121 1.00 0.00 ? 16 GLU A CD 5 ATOM 5933 O OE1 . GLU A 1 16 ? -6.303 -5.290 3.056 1.00 0.00 ? 16 GLU A OE1 5 ATOM 5934 O OE2 . GLU A 1 16 ? -6.830 -6.097 1.080 1.00 0.00 ? 16 GLU A OE2 5 ATOM 5935 H H . GLU A 1 16 ? -9.695 -2.036 3.954 1.00 0.00 ? 16 GLU A H 5 ATOM 5936 H HA . GLU A 1 16 ? -7.125 -3.311 3.716 1.00 0.00 ? 16 GLU A HA 5 ATOM 5937 H HB2 . GLU A 1 16 ? -9.553 -3.045 2.068 1.00 0.00 ? 16 GLU A HB2 5 ATOM 5938 H HB3 . GLU A 1 16 ? -8.049 -3.121 1.160 1.00 0.00 ? 16 GLU A HB3 5 ATOM 5939 H HG2 . GLU A 1 16 ? -8.893 -5.136 3.229 1.00 0.00 ? 16 GLU A HG2 5 ATOM 5940 H HG3 . GLU A 1 16 ? -9.136 -5.317 1.493 1.00 0.00 ? 16 GLU A HG3 5 ATOM 5941 N N . ILE A 1 17 ? -7.630 -0.298 2.548 1.00 0.00 ? 17 ILE A N 5 ATOM 5942 C CA . ILE A 1 17 ? -6.950 0.879 2.021 1.00 0.00 ? 17 ILE A CA 5 ATOM 5943 C C . ILE A 1 17 ? -6.066 1.510 3.092 1.00 0.00 ? 17 ILE A C 5 ATOM 5944 O O . ILE A 1 17 ? -4.999 2.047 2.795 1.00 0.00 ? 17 ILE A O 5 ATOM 5945 C CB . ILE A 1 17 ? -7.958 1.925 1.493 1.00 0.00 ? 17 ILE A CB 5 ATOM 5946 C CG1 . ILE A 1 17 ? -7.236 3.204 1.053 1.00 0.00 ? 17 ILE A CG1 5 ATOM 5947 C CG2 . ILE A 1 17 ? -9.005 2.235 2.553 1.00 0.00 ? 17 ILE A CG2 5 ATOM 5948 C CD1 . ILE A 1 17 ? -8.173 4.345 0.715 1.00 0.00 ? 17 ILE A CD1 5 ATOM 5949 H H . ILE A 1 17 ? -8.569 -0.226 2.829 1.00 0.00 ? 17 ILE A H 5 ATOM 5950 H HA . ILE A 1 17 ? -6.322 0.565 1.197 1.00 0.00 ? 17 ILE A HA 5 ATOM 5951 H HB . ILE A 1 17 ? -8.466 1.497 0.640 1.00 0.00 ? 17 ILE A HB 5 ATOM 5952 H HG12 . ILE A 1 17 ? -6.587 3.535 1.848 1.00 0.00 ? 17 ILE A HG12 5 ATOM 5953 H HG13 . ILE A 1 17 ? -6.643 2.990 0.175 1.00 0.00 ? 17 ILE A HG13 5 ATOM 5954 H HG21 . ILE A 1 17 ? -8.515 2.456 3.489 1.00 0.00 ? 17 ILE A HG21 5 ATOM 5955 H HG22 . ILE A 1 17 ? -9.591 3.087 2.241 1.00 0.00 ? 17 ILE A HG22 5 ATOM 5956 H HG23 . ILE A 1 17 ? -9.654 1.380 2.677 1.00 0.00 ? 17 ILE A HG23 5 ATOM 5957 H HD11 . ILE A 1 17 ? -9.059 3.954 0.239 1.00 0.00 ? 17 ILE A HD11 5 ATOM 5958 H HD12 . ILE A 1 17 ? -8.450 4.863 1.621 1.00 0.00 ? 17 ILE A HD12 5 ATOM 5959 H HD13 . ILE A 1 17 ? -7.676 5.031 0.045 1.00 0.00 ? 17 ILE A HD13 5 ATOM 5960 N N . GLU A 1 18 ? -6.511 1.430 4.340 1.00 0.00 ? 18 GLU A N 5 ATOM 5961 C CA . GLU A 1 18 ? -5.754 1.983 5.455 1.00 0.00 ? 18 GLU A CA 5 ATOM 5962 C C . GLU A 1 18 ? -4.617 1.046 5.844 1.00 0.00 ? 18 GLU A C 5 ATOM 5963 O O . GLU A 1 18 ? -3.529 1.491 6.211 1.00 0.00 ? 18 GLU A O 5 ATOM 5964 C CB . GLU A 1 18 ? -6.671 2.223 6.656 1.00 0.00 ? 18 GLU A CB 5 ATOM 5965 C CG . GLU A 1 18 ? -7.798 3.203 6.374 1.00 0.00 ? 18 GLU A CG 5 ATOM 5966 C CD . GLU A 1 18 ? -7.539 4.575 6.966 1.00 0.00 ? 18 GLU A CD 5 ATOM 5967 O OE1 . GLU A 1 18 ? -6.655 5.289 6.446 1.00 0.00 ? 18 GLU A OE1 5 ATOM 5968 O OE2 . GLU A 1 18 ? -8.219 4.935 7.949 1.00 0.00 ? 18 GLU A OE2 5 ATOM 5969 H H . GLU A 1 18 ? -7.365 0.982 4.516 1.00 0.00 ? 18 GLU A H 5 ATOM 5970 H HA . GLU A 1 18 ? -5.335 2.926 5.136 1.00 0.00 ? 18 GLU A HA 5 ATOM 5971 H HB2 . GLU A 1 18 ? -7.108 1.282 6.954 1.00 0.00 ? 18 GLU A HB2 5 ATOM 5972 H HB3 . GLU A 1 18 ? -6.081 2.611 7.473 1.00 0.00 ? 18 GLU A HB3 5 ATOM 5973 H HG2 . GLU A 1 18 ? -7.911 3.306 5.305 1.00 0.00 ? 18 GLU A HG2 5 ATOM 5974 H HG3 . GLU A 1 18 ? -8.712 2.812 6.796 1.00 0.00 ? 18 GLU A HG3 5 ATOM 5975 N N . ARG A 1 19 ? -4.875 -0.256 5.757 1.00 0.00 ? 19 ARG A N 5 ATOM 5976 C CA . ARG A 1 19 ? -3.871 -1.254 6.096 1.00 0.00 ? 19 ARG A CA 5 ATOM 5977 C C . ARG A 1 19 ? -2.819 -1.355 4.999 1.00 0.00 ? 19 ARG A C 5 ATOM 5978 O O . ARG A 1 19 ? -1.645 -1.600 5.272 1.00 0.00 ? 19 ARG A O 5 ATOM 5979 C CB . ARG A 1 19 ? -4.528 -2.618 6.319 1.00 0.00 ? 19 ARG A CB 5 ATOM 5980 C CG . ARG A 1 19 ? -5.295 -2.718 7.627 1.00 0.00 ? 19 ARG A CG 5 ATOM 5981 C CD . ARG A 1 19 ? -4.355 -2.813 8.818 1.00 0.00 ? 19 ARG A CD 5 ATOM 5982 N NE . ARG A 1 19 ? -4.416 -4.124 9.459 1.00 0.00 ? 19 ARG A NE 5 ATOM 5983 C CZ . ARG A 1 19 ? -5.500 -4.598 10.064 1.00 0.00 ? 19 ARG A CZ 5 ATOM 5984 N NH1 . ARG A 1 19 ? -6.608 -3.872 10.109 1.00 0.00 ? 19 ARG A NH1 5 ATOM 5985 N NH2 . ARG A 1 19 ? -5.477 -5.799 10.625 1.00 0.00 ? 19 ARG A NH2 5 ATOM 5986 H H . ARG A 1 19 ? -5.760 -0.551 5.453 1.00 0.00 ? 19 ARG A H 5 ATOM 5987 H HA . ARG A 1 19 ? -3.388 -0.942 7.010 1.00 0.00 ? 19 ARG A HA 5 ATOM 5988 H HB2 . ARG A 1 19 ? -5.215 -2.811 5.508 1.00 0.00 ? 19 ARG A HB2 5 ATOM 5989 H HB3 . ARG A 1 19 ? -3.761 -3.379 6.317 1.00 0.00 ? 19 ARG A HB3 5 ATOM 5990 H HG2 . ARG A 1 19 ? -5.913 -1.840 7.739 1.00 0.00 ? 19 ARG A HG2 5 ATOM 5991 H HG3 . ARG A 1 19 ? -5.920 -3.599 7.600 1.00 0.00 ? 19 ARG A HG3 5 ATOM 5992 H HD2 . ARG A 1 19 ? -3.346 -2.636 8.479 1.00 0.00 ? 19 ARG A HD2 5 ATOM 5993 H HD3 . ARG A 1 19 ? -4.630 -2.058 9.538 1.00 0.00 ? 19 ARG A HD3 5 ATOM 5994 H HE . ARG A 1 19 ? -3.607 -4.678 9.438 1.00 0.00 ? 19 ARG A HE 5 ATOM 5995 H HH11 . ARG A 1 19 ? -6.629 -2.965 9.687 1.00 0.00 ? 19 ARG A HH11 5 ATOM 5996 H HH12 . ARG A 1 19 ? -7.424 -4.230 10.565 1.00 0.00 ? 19 ARG A HH12 5 ATOM 5997 H HH21 . ARG A 1 19 ? -4.643 -6.351 10.593 1.00 0.00 ? 19 ARG A HH21 5 ATOM 5998 H HH22 . ARG A 1 19 ? -6.294 -6.154 11.080 1.00 0.00 ? 19 ARG A HH22 5 ATOM 5999 N N . LEU A 1 20 ? -3.245 -1.155 3.755 1.00 0.00 ? 20 LEU A N 5 ATOM 6000 C CA . LEU A 1 20 ? -2.331 -1.215 2.626 1.00 0.00 ? 20 LEU A CA 5 ATOM 6001 C C . LEU A 1 20 ? -1.426 0.010 2.618 1.00 0.00 ? 20 LEU A C 5 ATOM 6002 O O . LEU A 1 20 ? -0.252 -0.076 2.264 1.00 0.00 ? 20 LEU A O 5 ATOM 6003 C CB . LEU A 1 20 ? -3.106 -1.305 1.309 1.00 0.00 ? 20 LEU A CB 5 ATOM 6004 C CG . LEU A 1 20 ? -3.404 -2.726 0.819 1.00 0.00 ? 20 LEU A CG 5 ATOM 6005 C CD1 . LEU A 1 20 ? -2.182 -3.322 0.139 1.00 0.00 ? 20 LEU A CD1 5 ATOM 6006 C CD2 . LEU A 1 20 ? -3.859 -3.611 1.972 1.00 0.00 ? 20 LEU A CD2 5 ATOM 6007 H H . LEU A 1 20 ? -4.193 -0.953 3.596 1.00 0.00 ? 20 LEU A H 5 ATOM 6008 H HA . LEU A 1 20 ? -1.721 -2.099 2.738 1.00 0.00 ? 20 LEU A HA 5 ATOM 6009 H HB2 . LEU A 1 20 ? -4.042 -0.782 1.430 1.00 0.00 ? 20 LEU A HB2 5 ATOM 6010 H HB3 . LEU A 1 20 ? -2.532 -0.803 0.546 1.00 0.00 ? 20 LEU A HB3 5 ATOM 6011 H HG . LEU A 1 20 ? -4.203 -2.688 0.092 1.00 0.00 ? 20 LEU A HG 5 ATOM 6012 H HD11 . LEU A 1 20 ? -1.622 -2.537 -0.348 1.00 0.00 ? 20 LEU A HD11 5 ATOM 6013 H HD12 . LEU A 1 20 ? -1.557 -3.802 0.878 1.00 0.00 ? 20 LEU A HD12 5 ATOM 6014 H HD13 . LEU A 1 20 ? -2.496 -4.048 -0.595 1.00 0.00 ? 20 LEU A HD13 5 ATOM 6015 H HD21 . LEU A 1 20 ? -4.193 -2.993 2.791 1.00 0.00 ? 20 LEU A HD21 5 ATOM 6016 H HD22 . LEU A 1 20 ? -4.669 -4.243 1.642 1.00 0.00 ? 20 LEU A HD22 5 ATOM 6017 H HD23 . LEU A 1 20 ? -3.034 -4.227 2.299 1.00 0.00 ? 20 LEU A HD23 5 ATOM 6018 N N . GLN A 1 21 ? -1.983 1.148 3.023 1.00 0.00 ? 21 GLN A N 5 ATOM 6019 C CA . GLN A 1 21 ? -1.225 2.392 3.072 1.00 0.00 ? 21 GLN A CA 5 ATOM 6020 C C . GLN A 1 21 ? -0.098 2.291 4.093 1.00 0.00 ? 21 GLN A C 5 ATOM 6021 O O . GLN A 1 21 ? 1.037 2.681 3.822 1.00 0.00 ? 21 GLN A O 5 ATOM 6022 C CB . GLN A 1 21 ? -2.144 3.563 3.421 1.00 0.00 ? 21 GLN A CB 5 ATOM 6023 C CG . GLN A 1 21 ? -2.361 4.530 2.269 1.00 0.00 ? 21 GLN A CG 5 ATOM 6024 C CD . GLN A 1 21 ? -2.999 5.832 2.712 1.00 0.00 ? 21 GLN A CD 5 ATOM 6025 O OE1 . GLN A 1 21 ? -2.308 6.816 2.979 1.00 0.00 ? 21 GLN A OE1 5 ATOM 6026 N NE2 . GLN A 1 21 ? -4.324 5.844 2.794 1.00 0.00 ? 21 GLN A NE2 5 ATOM 6027 H H . GLN A 1 21 ? -2.924 1.150 3.299 1.00 0.00 ? 21 GLN A H 5 ATOM 6028 H HA . GLN A 1 21 ? -0.796 2.558 2.095 1.00 0.00 ? 21 GLN A HA 5 ATOM 6029 H HB2 . GLN A 1 21 ? -3.107 3.174 3.721 1.00 0.00 ? 21 GLN A HB2 5 ATOM 6030 H HB3 . GLN A 1 21 ? -1.714 4.110 4.246 1.00 0.00 ? 21 GLN A HB3 5 ATOM 6031 H HG2 . GLN A 1 21 ? -1.406 4.751 1.816 1.00 0.00 ? 21 GLN A HG2 5 ATOM 6032 H HG3 . GLN A 1 21 ? -3.005 4.061 1.538 1.00 0.00 ? 21 GLN A HG3 5 ATOM 6033 H HE21 . GLN A 1 21 ? -4.810 5.024 2.566 1.00 0.00 ? 21 GLN A HE21 5 ATOM 6034 H HE22 . GLN A 1 21 ? -4.763 6.674 3.078 1.00 0.00 ? 21 GLN A HE22 5 ATOM 6035 N N . LYS A 1 22 ? -0.417 1.759 5.271 1.00 0.00 ? 22 LYS A N 5 ATOM 6036 C CA . LYS A 1 22 ? 0.575 1.603 6.327 1.00 0.00 ? 22 LYS A CA 5 ATOM 6037 C C . LYS A 1 22 ? 1.681 0.649 5.889 1.00 0.00 ? 22 LYS A C 5 ATOM 6038 O O . LYS A 1 22 ? 2.852 0.844 6.217 1.00 0.00 ? 22 LYS A O 5 ATOM 6039 C CB . LYS A 1 22 ? -0.087 1.086 7.606 1.00 0.00 ? 22 LYS A CB 5 ATOM 6040 C CG . LYS A 1 22 ? -0.265 2.153 8.673 1.00 0.00 ? 22 LYS A CG 5 ATOM 6041 C CD . LYS A 1 22 ? -1.734 2.423 8.951 1.00 0.00 ? 22 LYS A CD 5 ATOM 6042 C CE . LYS A 1 22 ? -2.344 1.337 9.822 1.00 0.00 ? 22 LYS A CE 5 ATOM 6043 N NZ . LYS A 1 22 ? -2.268 1.678 11.270 1.00 0.00 ? 22 LYS A NZ 5 ATOM 6044 H H . LYS A 1 22 ? -1.339 1.461 5.430 1.00 0.00 ? 22 LYS A H 5 ATOM 6045 H HA . LYS A 1 22 ? 1.008 2.573 6.522 1.00 0.00 ? 22 LYS A HA 5 ATOM 6046 H HB2 . LYS A 1 22 ? -1.060 0.689 7.359 1.00 0.00 ? 22 LYS A HB2 5 ATOM 6047 H HB3 . LYS A 1 22 ? 0.522 0.294 8.018 1.00 0.00 ? 22 LYS A HB3 5 ATOM 6048 H HG2 . LYS A 1 22 ? 0.208 1.821 9.585 1.00 0.00 ? 22 LYS A HG2 5 ATOM 6049 H HG3 . LYS A 1 22 ? 0.202 3.068 8.336 1.00 0.00 ? 22 LYS A HG3 5 ATOM 6050 H HD2 . LYS A 1 22 ? -1.827 3.372 9.460 1.00 0.00 ? 22 LYS A HD2 5 ATOM 6051 H HD3 . LYS A 1 22 ? -2.268 2.461 8.013 1.00 0.00 ? 22 LYS A HD3 5 ATOM 6052 H HE2 . LYS A 1 22 ? -3.381 1.212 9.546 1.00 0.00 ? 22 LYS A HE2 5 ATOM 6053 H HE3 . LYS A 1 22 ? -1.812 0.414 9.650 1.00 0.00 ? 22 LYS A HE3 5 ATOM 6054 H HZ1 . LYS A 1 22 ? -1.759 2.575 11.400 1.00 0.00 ? 22 LYS A HZ1 5 ATOM 6055 H HZ2 . LYS A 1 22 ? -3.224 1.774 11.666 1.00 0.00 ? 22 LYS A HZ2 5 ATOM 6056 H HZ3 . LYS A 1 22 ? -1.765 0.928 11.787 1.00 0.00 ? 22 LYS A HZ3 5 ATOM 6057 N N . GLU A 1 23 ? 1.298 -0.385 5.145 1.00 0.00 ? 23 GLU A N 5 ATOM 6058 C CA . GLU A 1 23 ? 2.254 -1.372 4.659 1.00 0.00 ? 23 GLU A CA 5 ATOM 6059 C C . GLU A 1 23 ? 3.257 -0.737 3.700 1.00 0.00 ? 23 GLU A C 5 ATOM 6060 O O . GLU A 1 23 ? 4.452 -1.038 3.747 1.00 0.00 ? 23 GLU A O 5 ATOM 6061 C CB . GLU A 1 23 ? 1.522 -2.520 3.962 1.00 0.00 ? 23 GLU A CB 5 ATOM 6062 C CG . GLU A 1 23 ? 2.339 -3.798 3.874 1.00 0.00 ? 23 GLU A CG 5 ATOM 6063 C CD . GLU A 1 23 ? 2.390 -4.549 5.191 1.00 0.00 ? 23 GLU A CD 5 ATOM 6064 O OE1 . GLU A 1 23 ? 1.470 -4.363 6.016 1.00 0.00 ? 23 GLU A OE1 5 ATOM 6065 O OE2 . GLU A 1 23 ? 3.347 -5.323 5.396 1.00 0.00 ? 23 GLU A OE2 5 ATOM 6066 H H . GLU A 1 23 ? 0.351 -0.485 4.918 1.00 0.00 ? 23 GLU A H 5 ATOM 6067 H HA . GLU A 1 23 ? 2.788 -1.764 5.511 1.00 0.00 ? 23 GLU A HA 5 ATOM 6068 H HB2 . GLU A 1 23 ? 0.613 -2.735 4.505 1.00 0.00 ? 23 GLU A HB2 5 ATOM 6069 H HB3 . GLU A 1 23 ? 1.265 -2.212 2.958 1.00 0.00 ? 23 GLU A HB3 5 ATOM 6070 H HG2 . GLU A 1 23 ? 1.897 -4.442 3.127 1.00 0.00 ? 23 GLU A HG2 5 ATOM 6071 H HG3 . GLU A 1 23 ? 3.347 -3.547 3.580 1.00 0.00 ? 23 GLU A HG3 5 ATOM 6072 N N . ILE A 1 24 ? 2.769 0.145 2.830 1.00 0.00 ? 24 ILE A N 5 ATOM 6073 C CA . ILE A 1 24 ? 3.639 0.813 1.869 1.00 0.00 ? 24 ILE A CA 5 ATOM 6074 C C . ILE A 1 24 ? 4.677 1.665 2.602 1.00 0.00 ? 24 ILE A C 5 ATOM 6075 O O . ILE A 1 24 ? 5.838 1.733 2.202 1.00 0.00 ? 24 ILE A O 5 ATOM 6076 C CB . ILE A 1 24 ? 2.838 1.674 0.837 1.00 0.00 ? 24 ILE A CB 5 ATOM 6077 C CG1 . ILE A 1 24 ? 2.682 3.135 1.284 1.00 0.00 ? 24 ILE A CG1 5 ATOM 6078 C CG2 . ILE A 1 24 ? 1.469 1.067 0.572 1.00 0.00 ? 24 ILE A CG2 5 ATOM 6079 C CD1 . ILE A 1 24 ? 3.858 4.003 0.893 1.00 0.00 ? 24 ILE A CD1 5 ATOM 6080 H H . ILE A 1 24 ? 1.811 0.349 2.841 1.00 0.00 ? 24 ILE A H 5 ATOM 6081 H HA . ILE A 1 24 ? 4.164 0.041 1.321 1.00 0.00 ? 24 ILE A HA 5 ATOM 6082 H HB . ILE A 1 24 ? 3.385 1.656 -0.095 1.00 0.00 ? 24 ILE A HB 5 ATOM 6083 H HG12 . ILE A 1 24 ? 1.795 3.553 0.833 1.00 0.00 ? 24 ILE A HG12 5 ATOM 6084 H HG13 . ILE A 1 24 ? 2.586 3.168 2.360 1.00 0.00 ? 24 ILE A HG13 5 ATOM 6085 H HG21 . ILE A 1 24 ? 1.475 0.025 0.858 1.00 0.00 ? 24 ILE A HG21 5 ATOM 6086 H HG22 . ILE A 1 24 ? 0.724 1.593 1.149 1.00 0.00 ? 24 ILE A HG22 5 ATOM 6087 H HG23 . ILE A 1 24 ? 1.236 1.150 -0.478 1.00 0.00 ? 24 ILE A HG23 5 ATOM 6088 H HD11 . ILE A 1 24 ? 4.593 3.401 0.375 1.00 0.00 ? 24 ILE A HD11 5 ATOM 6089 H HD12 . ILE A 1 24 ? 3.520 4.796 0.242 1.00 0.00 ? 24 ILE A HD12 5 ATOM 6090 H HD13 . ILE A 1 24 ? 4.301 4.430 1.780 1.00 0.00 ? 24 ILE A HD13 5 ATOM 6091 N N . GLU A 1 25 ? 4.240 2.307 3.684 1.00 0.00 ? 25 GLU A N 5 ATOM 6092 C CA . GLU A 1 25 ? 5.120 3.149 4.483 1.00 0.00 ? 25 GLU A CA 5 ATOM 6093 C C . GLU A 1 25 ? 6.294 2.338 5.017 1.00 0.00 ? 25 GLU A C 5 ATOM 6094 O O . GLU A 1 25 ? 7.440 2.782 4.964 1.00 0.00 ? 25 GLU A O 5 ATOM 6095 C CB . GLU A 1 25 ? 4.346 3.776 5.645 1.00 0.00 ? 25 GLU A CB 5 ATOM 6096 C CG . GLU A 1 25 ? 5.035 4.988 6.250 1.00 0.00 ? 25 GLU A CG 5 ATOM 6097 C CD . GLU A 1 25 ? 4.418 6.296 5.797 1.00 0.00 ? 25 GLU A CD 5 ATOM 6098 O OE1 . GLU A 1 25 ? 3.665 6.285 4.800 1.00 0.00 ? 25 GLU A OE1 5 ATOM 6099 O OE2 . GLU A 1 25 ? 4.688 7.334 6.438 1.00 0.00 ? 25 GLU A OE2 5 ATOM 6100 H H . GLU A 1 25 ? 3.301 2.207 3.951 1.00 0.00 ? 25 GLU A H 5 ATOM 6101 H HA . GLU A 1 25 ? 5.497 3.934 3.846 1.00 0.00 ? 25 GLU A HA 5 ATOM 6102 H HB2 . GLU A 1 25 ? 3.373 4.083 5.290 1.00 0.00 ? 25 GLU A HB2 5 ATOM 6103 H HB3 . GLU A 1 25 ? 4.220 3.036 6.420 1.00 0.00 ? 25 GLU A HB3 5 ATOM 6104 H HG2 . GLU A 1 25 ? 4.962 4.927 7.326 1.00 0.00 ? 25 GLU A HG2 5 ATOM 6105 H HG3 . GLU A 1 25 ? 6.075 4.977 5.959 1.00 0.00 ? 25 GLU A HG3 5 ATOM 6106 N N . ARG A 1 26 ? 6.001 1.145 5.524 1.00 0.00 ? 26 ARG A N 5 ATOM 6107 C CA . ARG A 1 26 ? 7.038 0.270 6.057 1.00 0.00 ? 26 ARG A CA 5 ATOM 6108 C C . ARG A 1 26 ? 8.112 0.027 5.003 1.00 0.00 ? 26 ARG A C 5 ATOM 6109 O O . ARG A 1 26 ? 9.306 0.181 5.268 1.00 0.00 ? 26 ARG A O 5 ATOM 6110 C CB . ARG A 1 26 ? 6.435 -1.061 6.508 1.00 0.00 ? 26 ARG A CB 5 ATOM 6111 C CG . ARG A 1 26 ? 7.069 -1.618 7.773 1.00 0.00 ? 26 ARG A CG 5 ATOM 6112 C CD . ARG A 1 26 ? 6.347 -2.867 8.254 1.00 0.00 ? 26 ARG A CD 5 ATOM 6113 N NE . ARG A 1 26 ? 6.791 -3.276 9.583 1.00 0.00 ? 26 ARG A NE 5 ATOM 6114 C CZ . ARG A 1 26 ? 6.165 -4.189 10.320 1.00 0.00 ? 26 ARG A CZ 5 ATOM 6115 N NH1 . ARG A 1 26 ? 5.072 -4.781 9.857 1.00 0.00 ? 26 ARG A NH1 5 ATOM 6116 N NH2 . ARG A 1 26 ? 6.631 -4.509 11.519 1.00 0.00 ? 26 ARG A NH2 5 ATOM 6117 H H . ARG A 1 26 ? 5.068 0.842 5.534 1.00 0.00 ? 26 ARG A H 5 ATOM 6118 H HA . ARG A 1 26 ? 7.486 0.763 6.906 1.00 0.00 ? 26 ARG A HA 5 ATOM 6119 H HB2 . ARG A 1 26 ? 5.380 -0.922 6.692 1.00 0.00 ? 26 ARG A HB2 5 ATOM 6120 H HB3 . ARG A 1 26 ? 6.562 -1.787 5.718 1.00 0.00 ? 26 ARG A HB3 5 ATOM 6121 H HG2 . ARG A 1 26 ? 8.099 -1.867 7.568 1.00 0.00 ? 26 ARG A HG2 5 ATOM 6122 H HG3 . ARG A 1 26 ? 7.024 -0.866 8.547 1.00 0.00 ? 26 ARG A HG3 5 ATOM 6123 H HD2 . ARG A 1 26 ? 5.286 -2.664 8.287 1.00 0.00 ? 26 ARG A HD2 5 ATOM 6124 H HD3 . ARG A 1 26 ? 6.538 -3.668 7.557 1.00 0.00 ? 26 ARG A HD3 5 ATOM 6125 H HE . ARG A 1 26 ? 7.597 -2.851 9.945 1.00 0.00 ? 26 ARG A HE 5 ATOM 6126 H HH11 . ARG A 1 26 ? 4.718 -4.541 8.953 1.00 0.00 ? 26 ARG A HH11 5 ATOM 6127 H HH12 . ARG A 1 26 ? 4.602 -5.467 10.413 1.00 0.00 ? 26 ARG A HH12 5 ATOM 6128 H HH21 . ARG A 1 26 ? 7.454 -4.065 11.871 1.00 0.00 ? 26 ARG A HH21 5 ATOM 6129 H HH22 . ARG A 1 26 ? 6.157 -5.195 12.072 1.00 0.00 ? 26 ARG A HH22 5 ATOM 6130 N N . HIS A 1 27 ? 7.678 -0.340 3.803 1.00 0.00 ? 27 HIS A N 5 ATOM 6131 C CA . HIS A 1 27 ? 8.600 -0.589 2.704 1.00 0.00 ? 27 HIS A CA 5 ATOM 6132 C C . HIS A 1 27 ? 9.352 0.688 2.342 1.00 0.00 ? 27 HIS A C 5 ATOM 6133 O O . HIS A 1 27 ? 10.464 0.639 1.819 1.00 0.00 ? 27 HIS A O 5 ATOM 6134 C CB . HIS A 1 27 ? 7.845 -1.117 1.483 1.00 0.00 ? 27 HIS A CB 5 ATOM 6135 C CG . HIS A 1 27 ? 7.886 -2.608 1.352 1.00 0.00 ? 27 HIS A CG 5 ATOM 6136 N ND1 . HIS A 1 27 ? 9.037 -3.306 1.054 1.00 0.00 ? 27 HIS A ND1 5 ATOM 6137 C CD2 . HIS A 1 27 ? 6.908 -3.536 1.483 1.00 0.00 ? 27 HIS A CD2 5 ATOM 6138 C CE1 . HIS A 1 27 ? 8.765 -4.599 1.005 1.00 0.00 ? 27 HIS A CE1 5 ATOM 6139 N NE2 . HIS A 1 27 ? 7.481 -4.763 1.263 1.00 0.00 ? 27 HIS A NE2 5 ATOM 6140 H H . HIS A 1 27 ? 6.712 -0.436 3.650 1.00 0.00 ? 27 HIS A H 5 ATOM 6141 H HA . HIS A 1 27 ? 9.311 -1.333 3.028 1.00 0.00 ? 27 HIS A HA 5 ATOM 6142 H HB2 . HIS A 1 27 ? 6.810 -0.819 1.552 1.00 0.00 ? 27 HIS A HB2 5 ATOM 6143 H HB3 . HIS A 1 27 ? 8.279 -0.692 0.589 1.00 0.00 ? 27 HIS A HB3 5 ATOM 6144 H HD1 . HIS A 1 27 ? 9.921 -2.914 0.900 1.00 0.00 ? 27 HIS A HD1 5 ATOM 6145 H HD2 . HIS A 1 27 ? 5.870 -3.345 1.716 1.00 0.00 ? 27 HIS A HD2 5 ATOM 6146 H HE1 . HIS A 1 27 ? 9.474 -5.386 0.793 1.00 0.00 ? 27 HIS A HE1 5 ATOM 6147 H HE2 . HIS A 1 27 ? 7.015 -5.625 1.291 1.00 0.00 ? 27 HIS A HE2 5 ATOM 6148 N N . LYS A 1 28 ? 8.734 1.831 2.631 1.00 0.00 ? 28 LYS A N 5 ATOM 6149 C CA . LYS A 1 28 ? 9.340 3.125 2.345 1.00 0.00 ? 28 LYS A CA 5 ATOM 6150 C C . LYS A 1 28 ? 10.438 3.442 3.352 1.00 0.00 ? 28 LYS A C 5 ATOM 6151 O O . LYS A 1 28 ? 11.371 4.187 3.055 1.00 0.00 ? 28 LYS A O 5 ATOM 6152 C CB . LYS A 1 28 ? 8.277 4.226 2.369 1.00 0.00 ? 28 LYS A CB 5 ATOM 6153 C CG . LYS A 1 28 ? 8.836 5.616 2.114 1.00 0.00 ? 28 LYS A CG 5 ATOM 6154 C CD . LYS A 1 28 ? 7.809 6.693 2.421 1.00 0.00 ? 28 LYS A CD 5 ATOM 6155 C CE . LYS A 1 28 ? 6.629 6.627 1.465 1.00 0.00 ? 28 LYS A CE 5 ATOM 6156 N NZ . LYS A 1 28 ? 6.939 7.265 0.156 1.00 0.00 ? 28 LYS A NZ 5 ATOM 6157 H H . LYS A 1 28 ? 7.849 1.802 3.051 1.00 0.00 ? 28 LYS A H 5 ATOM 6158 H HA . LYS A 1 28 ? 9.774 3.076 1.358 1.00 0.00 ? 28 LYS A HA 5 ATOM 6159 H HB2 . LYS A 1 28 ? 7.537 4.013 1.613 1.00 0.00 ? 28 LYS A HB2 5 ATOM 6160 H HB3 . LYS A 1 28 ? 7.799 4.226 3.338 1.00 0.00 ? 28 LYS A HB3 5 ATOM 6161 H HG2 . LYS A 1 28 ? 9.700 5.766 2.742 1.00 0.00 ? 28 LYS A HG2 5 ATOM 6162 H HG3 . LYS A 1 28 ? 9.126 5.691 1.076 1.00 0.00 ? 28 LYS A HG3 5 ATOM 6163 H HD2 . LYS A 1 28 ? 7.450 6.557 3.430 1.00 0.00 ? 28 LYS A HD2 5 ATOM 6164 H HD3 . LYS A 1 28 ? 8.280 7.661 2.331 1.00 0.00 ? 28 LYS A HD3 5 ATOM 6165 H HE2 . LYS A 1 28 ? 6.375 5.591 1.298 1.00 0.00 ? 28 LYS A HE2 5 ATOM 6166 H HE3 . LYS A 1 28 ? 5.789 7.136 1.914 1.00 0.00 ? 28 LYS A HE3 5 ATOM 6167 H HZ1 . LYS A 1 28 ? 7.920 7.057 -0.120 1.00 0.00 ? 28 LYS A HZ1 5 ATOM 6168 H HZ2 . LYS A 1 28 ? 6.299 6.899 -0.580 1.00 0.00 ? 28 LYS A HZ2 5 ATOM 6169 H HZ3 . LYS A 1 28 ? 6.819 8.295 0.223 1.00 0.00 ? 28 LYS A HZ3 5 ATOM 6170 N N . GLN A 1 29 ? 10.321 2.869 4.545 1.00 0.00 ? 29 GLN A N 5 ATOM 6171 C CA . GLN A 1 29 ? 11.304 3.086 5.597 1.00 0.00 ? 29 GLN A CA 5 ATOM 6172 C C . GLN A 1 29 ? 12.557 2.258 5.342 1.00 0.00 ? 29 GLN A C 5 ATOM 6173 O O . GLN A 1 29 ? 13.670 2.687 5.644 1.00 0.00 ? 29 GLN A O 5 ATOM 6174 C CB . GLN A 1 29 ? 10.711 2.731 6.963 1.00 0.00 ? 29 GLN A CB 5 ATOM 6175 C CG . GLN A 1 29 ? 11.576 3.169 8.133 1.00 0.00 ? 29 GLN A CG 5 ATOM 6176 C CD . GLN A 1 29 ? 10.883 2.988 9.469 1.00 0.00 ? 29 GLN A CD 5 ATOM 6177 O OE1 . GLN A 1 29 ? 10.193 1.994 9.695 1.00 0.00 ? 29 GLN A OE1 5 ATOM 6178 N NE2 . GLN A 1 29 ? 11.064 3.951 10.365 1.00 0.00 ? 29 GLN A NE2 5 ATOM 6179 H H . GLN A 1 29 ? 9.555 2.283 4.721 1.00 0.00 ? 29 GLN A H 5 ATOM 6180 H HA . GLN A 1 29 ? 11.571 4.132 5.591 1.00 0.00 ? 29 GLN A HA 5 ATOM 6181 H HB2 . GLN A 1 29 ? 9.746 3.206 7.058 1.00 0.00 ? 29 GLN A HB2 5 ATOM 6182 H HB3 . GLN A 1 29 ? 10.582 1.661 7.019 1.00 0.00 ? 29 GLN A HB3 5 ATOM 6183 H HG2 . GLN A 1 29 ? 12.483 2.583 8.133 1.00 0.00 ? 29 GLN A HG2 5 ATOM 6184 H HG3 . GLN A 1 29 ? 11.823 4.213 8.011 1.00 0.00 ? 29 GLN A HG3 5 ATOM 6185 H HE21 . GLN A 1 29 ? 11.626 4.715 10.117 1.00 0.00 ? 29 GLN A HE21 5 ATOM 6186 H HE22 . GLN A 1 29 ? 10.627 3.861 11.238 1.00 0.00 ? 29 GLN A HE22 5 ATOM 6187 N N . SER A 1 30 ? 12.368 1.068 4.780 1.00 0.00 ? 30 SER A N 5 ATOM 6188 C CA . SER A 1 30 ? 13.485 0.179 4.481 1.00 0.00 ? 30 SER A CA 5 ATOM 6189 C C . SER A 1 30 ? 14.248 0.664 3.252 1.00 0.00 ? 30 SER A C 5 ATOM 6190 O O . SER A 1 30 ? 15.477 0.620 3.214 1.00 0.00 ? 30 SER A O 5 ATOM 6191 C CB . SER A 1 30 ? 12.984 -1.249 4.257 1.00 0.00 ? 30 SER A CB 5 ATOM 6192 O OG . SER A 1 30 ? 12.876 -1.950 5.482 1.00 0.00 ? 30 SER A OG 5 ATOM 6193 H H . SER A 1 30 ? 11.455 0.780 4.562 1.00 0.00 ? 30 SER A H 5 ATOM 6194 H HA . SER A 1 30 ? 14.152 0.189 5.329 1.00 0.00 ? 30 SER A HA 5 ATOM 6195 H HB2 . SER A 1 30 ? 12.013 -1.218 3.787 1.00 0.00 ? 30 SER A HB2 5 ATOM 6196 H HB3 . SER A 1 30 ? 13.678 -1.774 3.616 1.00 0.00 ? 30 SER A HB3 5 ATOM 6197 H HG . SER A 1 30 ? 11.951 -2.128 5.669 1.00 0.00 ? 30 SER A HG 5 ATOM 6198 N N . ILE A 1 31 ? 13.509 1.127 2.248 1.00 0.00 ? 31 ILE A N 5 ATOM 6199 C CA . ILE A 1 31 ? 14.113 1.623 1.017 1.00 0.00 ? 31 ILE A CA 5 ATOM 6200 C C . ILE A 1 31 ? 14.693 3.018 1.219 1.00 0.00 ? 31 ILE A C 5 ATOM 6201 O O . ILE A 1 31 ? 15.640 3.413 0.540 1.00 0.00 ? 31 ILE A O 5 ATOM 6202 C CB . ILE A 1 31 ? 13.081 1.651 -0.130 1.00 0.00 ? 31 ILE A CB 5 ATOM 6203 C CG1 . ILE A 1 31 ? 13.688 2.231 -1.411 1.00 0.00 ? 31 ILE A CG1 5 ATOM 6204 C CG2 . ILE A 1 31 ? 11.857 2.451 0.281 1.00 0.00 ? 31 ILE A CG2 5 ATOM 6205 C CD1 . ILE A 1 31 ? 14.534 1.244 -2.182 1.00 0.00 ? 31 ILE A CD1 5 ATOM 6206 H H . ILE A 1 31 ? 12.533 1.137 2.337 1.00 0.00 ? 31 ILE A H 5 ATOM 6207 H HA . ILE A 1 31 ? 14.910 0.948 0.741 1.00 0.00 ? 31 ILE A HA 5 ATOM 6208 H HB . ILE A 1 31 ? 12.769 0.635 -0.318 1.00 0.00 ? 31 ILE A HB 5 ATOM 6209 H HG12 . ILE A 1 31 ? 12.888 2.555 -2.061 1.00 0.00 ? 31 ILE A HG12 5 ATOM 6210 H HG13 . ILE A 1 31 ? 14.308 3.079 -1.163 1.00 0.00 ? 31 ILE A HG13 5 ATOM 6211 H HG21 . ILE A 1 31 ? 11.912 2.681 1.334 1.00 0.00 ? 31 ILE A HG21 5 ATOM 6212 H HG22 . ILE A 1 31 ? 11.820 3.370 -0.286 1.00 0.00 ? 31 ILE A HG22 5 ATOM 6213 H HG23 . ILE A 1 31 ? 10.966 1.873 0.085 1.00 0.00 ? 31 ILE A HG23 5 ATOM 6214 H HD11 . ILE A 1 31 ? 14.819 0.430 -1.534 1.00 0.00 ? 31 ILE A HD11 5 ATOM 6215 H HD12 . ILE A 1 31 ? 13.965 0.859 -3.015 1.00 0.00 ? 31 ILE A HD12 5 ATOM 6216 H HD13 . ILE A 1 31 ? 15.420 1.738 -2.550 1.00 0.00 ? 31 ILE A HD13 5 ATOM 6217 N N . LYS A 1 32 ? 14.120 3.760 2.161 1.00 0.00 ? 32 LYS A N 5 ATOM 6218 C CA . LYS A 1 32 ? 14.583 5.110 2.455 1.00 0.00 ? 32 LYS A CA 5 ATOM 6219 C C . LYS A 1 32 ? 15.788 5.077 3.389 1.00 0.00 ? 32 LYS A C 5 ATOM 6220 O O . LYS A 1 32 ? 16.635 5.970 3.359 1.00 0.00 ? 32 LYS A O 5 ATOM 6221 C CB . LYS A 1 32 ? 13.457 5.934 3.084 1.00 0.00 ? 32 LYS A CB 5 ATOM 6222 C CG . LYS A 1 32 ? 13.876 7.343 3.469 1.00 0.00 ? 32 LYS A CG 5 ATOM 6223 C CD . LYS A 1 32 ? 14.002 8.240 2.248 1.00 0.00 ? 32 LYS A CD 5 ATOM 6224 C CE . LYS A 1 32 ? 12.638 8.620 1.693 1.00 0.00 ? 32 LYS A CE 5 ATOM 6225 N NZ . LYS A 1 32 ? 12.428 10.094 1.697 1.00 0.00 ? 32 LYS A NZ 5 ATOM 6226 H H . LYS A 1 32 ? 13.370 3.389 2.672 1.00 0.00 ? 32 LYS A H 5 ATOM 6227 H HA . LYS A 1 32 ? 14.877 5.570 1.524 1.00 0.00 ? 32 LYS A HA 5 ATOM 6228 H HB2 . LYS A 1 32 ? 12.642 6.004 2.380 1.00 0.00 ? 32 LYS A HB2 5 ATOM 6229 H HB3 . LYS A 1 32 ? 13.111 5.429 3.973 1.00 0.00 ? 32 LYS A HB3 5 ATOM 6230 H HG2 . LYS A 1 32 ? 13.135 7.761 4.134 1.00 0.00 ? 32 LYS A HG2 5 ATOM 6231 H HG3 . LYS A 1 32 ? 14.831 7.300 3.973 1.00 0.00 ? 32 LYS A HG3 5 ATOM 6232 H HD2 . LYS A 1 32 ? 14.529 9.140 2.526 1.00 0.00 ? 32 LYS A HD2 5 ATOM 6233 H HD3 . LYS A 1 32 ? 14.558 7.716 1.485 1.00 0.00 ? 32 LYS A HD3 5 ATOM 6234 H HE2 . LYS A 1 32 ? 12.563 8.257 0.678 1.00 0.00 ? 32 LYS A HE2 5 ATOM 6235 H HE3 . LYS A 1 32 ? 11.875 8.154 2.298 1.00 0.00 ? 32 LYS A HE3 5 ATOM 6236 H HZ1 . LYS A 1 32 ? 12.749 10.498 2.600 1.00 0.00 ? 32 LYS A HZ1 5 ATOM 6237 H HZ2 . LYS A 1 32 ? 12.964 10.534 0.922 1.00 0.00 ? 32 LYS A HZ2 5 ATOM 6238 H HZ3 . LYS A 1 32 ? 11.418 10.311 1.571 1.00 0.00 ? 32 LYS A HZ3 5 ATOM 6239 N N . LYS A 1 33 ? 15.860 4.039 4.216 1.00 0.00 ? 33 LYS A N 5 ATOM 6240 C CA . LYS A 1 33 ? 16.964 3.888 5.155 1.00 0.00 ? 33 LYS A CA 5 ATOM 6241 C C . LYS A 1 33 ? 18.179 3.279 4.463 1.00 0.00 ? 33 LYS A C 5 ATOM 6242 O O . LYS A 1 33 ? 19.320 3.595 4.797 1.00 0.00 ? 33 LYS A O 5 ATOM 6243 C CB . LYS A 1 33 ? 16.542 3.012 6.337 1.00 0.00 ? 33 LYS A CB 5 ATOM 6244 C CG . LYS A 1 33 ? 17.596 2.914 7.427 1.00 0.00 ? 33 LYS A CG 5 ATOM 6245 C CD . LYS A 1 33 ? 17.293 1.781 8.395 1.00 0.00 ? 33 LYS A CD 5 ATOM 6246 C CE . LYS A 1 33 ? 18.311 1.724 9.522 1.00 0.00 ? 33 LYS A CE 5 ATOM 6247 N NZ . LYS A 1 33 ? 17.669 1.857 10.859 1.00 0.00 ? 33 LYS A NZ 5 ATOM 6248 H H . LYS A 1 33 ? 15.157 3.357 4.190 1.00 0.00 ? 33 LYS A H 5 ATOM 6249 H HA . LYS A 1 33 ? 17.227 4.870 5.519 1.00 0.00 ? 33 LYS A HA 5 ATOM 6250 H HB2 . LYS A 1 33 ? 15.644 3.424 6.771 1.00 0.00 ? 33 LYS A HB2 5 ATOM 6251 H HB3 . LYS A 1 33 ? 16.333 2.016 5.976 1.00 0.00 ? 33 LYS A HB3 5 ATOM 6252 H HG2 . LYS A 1 33 ? 18.558 2.735 6.970 1.00 0.00 ? 33 LYS A HG2 5 ATOM 6253 H HG3 . LYS A 1 33 ? 17.623 3.845 7.974 1.00 0.00 ? 33 LYS A HG3 5 ATOM 6254 H HD2 . LYS A 1 33 ? 16.312 1.934 8.817 1.00 0.00 ? 33 LYS A HD2 5 ATOM 6255 H HD3 . LYS A 1 33 ? 17.313 0.846 7.855 1.00 0.00 ? 33 LYS A HD3 5 ATOM 6256 H HE2 . LYS A 1 33 ? 18.830 0.779 9.474 1.00 0.00 ? 33 LYS A HE2 5 ATOM 6257 H HE3 . LYS A 1 33 ? 19.020 2.530 9.391 1.00 0.00 ? 33 LYS A HE3 5 ATOM 6258 H HZ1 . LYS A 1 33 ? 16.779 2.388 10.775 1.00 0.00 ? 33 LYS A HZ1 5 ATOM 6259 H HZ2 . LYS A 1 33 ? 17.462 0.916 11.251 1.00 0.00 ? 33 LYS A HZ2 5 ATOM 6260 H HZ3 . LYS A 1 33 ? 18.302 2.362 11.511 1.00 0.00 ? 33 LYS A HZ3 5 ATOM 6261 N N . LEU A 1 34 ? 17.923 2.407 3.493 1.00 0.00 ? 34 LEU A N 5 ATOM 6262 C CA . LEU A 1 34 ? 18.993 1.757 2.750 1.00 0.00 ? 34 LEU A CA 5 ATOM 6263 C C . LEU A 1 34 ? 19.544 2.690 1.676 1.00 0.00 ? 34 LEU A C 5 ATOM 6264 O O . LEU A 1 34 ? 20.725 2.630 1.334 1.00 0.00 ? 34 LEU A O 5 ATOM 6265 C CB . LEU A 1 34 ? 18.487 0.461 2.110 1.00 0.00 ? 34 LEU A CB 5 ATOM 6266 C CG . LEU A 1 34 ? 19.026 -0.824 2.739 1.00 0.00 ? 34 LEU A CG 5 ATOM 6267 C CD1 . LEU A 1 34 ? 17.881 -1.733 3.160 1.00 0.00 ? 34 LEU A CD1 5 ATOM 6268 C CD2 . LEU A 1 34 ? 19.951 -1.545 1.770 1.00 0.00 ? 34 LEU A CD2 5 ATOM 6269 H H . LEU A 1 34 ? 16.991 2.199 3.271 1.00 0.00 ? 34 LEU A H 5 ATOM 6270 H HA . LEU A 1 34 ? 19.785 1.521 3.444 1.00 0.00 ? 34 LEU A HA 5 ATOM 6271 H HB2 . LEU A 1 34 ? 17.409 0.449 2.180 1.00 0.00 ? 34 LEU A HB2 5 ATOM 6272 H HB3 . LEU A 1 34 ? 18.763 0.468 1.066 1.00 0.00 ? 34 LEU A HB3 5 ATOM 6273 H HG . LEU A 1 34 ? 19.595 -0.574 3.623 1.00 0.00 ? 34 LEU A HG 5 ATOM 6274 H HD11 . LEU A 1 34 ? 16.957 -1.364 2.741 1.00 0.00 ? 34 LEU A HD11 5 ATOM 6275 H HD12 . LEU A 1 34 ? 18.066 -2.734 2.799 1.00 0.00 ? 34 LEU A HD12 5 ATOM 6276 H HD13 . LEU A 1 34 ? 17.809 -1.745 4.237 1.00 0.00 ? 34 LEU A HD13 5 ATOM 6277 H HD21 . LEU A 1 34 ? 19.458 -1.649 0.813 1.00 0.00 ? 34 LEU A HD21 5 ATOM 6278 H HD22 . LEU A 1 34 ? 20.859 -0.972 1.646 1.00 0.00 ? 34 LEU A HD22 5 ATOM 6279 H HD23 . LEU A 1 34 ? 20.191 -2.522 2.159 1.00 0.00 ? 34 LEU A HD23 5 ATOM 6280 N N . LYS A 1 35 ? 18.680 3.553 1.151 1.00 0.00 ? 35 LYS A N 5 ATOM 6281 C CA . LYS A 1 35 ? 19.081 4.502 0.120 1.00 0.00 ? 35 LYS A CA 5 ATOM 6282 C C . LYS A 1 35 ? 19.783 5.707 0.736 1.00 0.00 ? 35 LYS A C 5 ATOM 6283 O O . LYS A 1 35 ? 20.664 6.307 0.121 1.00 0.00 ? 35 LYS A O 5 ATOM 6284 C CB . LYS A 1 35 ? 17.861 4.962 -0.682 1.00 0.00 ? 35 LYS A CB 5 ATOM 6285 C CG . LYS A 1 35 ? 18.216 5.605 -2.013 1.00 0.00 ? 35 LYS A CG 5 ATOM 6286 C CD . LYS A 1 35 ? 18.248 7.121 -1.908 1.00 0.00 ? 35 LYS A CD 5 ATOM 6287 C CE . LYS A 1 35 ? 16.890 7.730 -2.215 1.00 0.00 ? 35 LYS A CE 5 ATOM 6288 N NZ . LYS A 1 35 ? 17.003 8.924 -3.095 1.00 0.00 ? 35 LYS A NZ 5 ATOM 6289 H H . LYS A 1 35 ? 17.752 3.554 1.466 1.00 0.00 ? 35 LYS A H 5 ATOM 6290 H HA . LYS A 1 35 ? 19.768 4.000 -0.544 1.00 0.00 ? 35 LYS A HA 5 ATOM 6291 H HB2 . LYS A 1 35 ? 17.230 4.108 -0.876 1.00 0.00 ? 35 LYS A HB2 5 ATOM 6292 H HB3 . LYS A 1 35 ? 17.310 5.681 -0.096 1.00 0.00 ? 35 LYS A HB3 5 ATOM 6293 H HG2 . LYS A 1 35 ? 19.189 5.255 -2.324 1.00 0.00 ? 35 LYS A HG2 5 ATOM 6294 H HG3 . LYS A 1 35 ? 17.476 5.319 -2.748 1.00 0.00 ? 35 LYS A HG3 5 ATOM 6295 H HD2 . LYS A 1 35 ? 18.537 7.396 -0.905 1.00 0.00 ? 35 LYS A HD2 5 ATOM 6296 H HD3 . LYS A 1 35 ? 18.972 7.505 -2.612 1.00 0.00 ? 35 LYS A HD3 5 ATOM 6297 H HE2 . LYS A 1 35 ? 16.280 6.987 -2.708 1.00 0.00 ? 35 LYS A HE2 5 ATOM 6298 H HE3 . LYS A 1 35 ? 16.422 8.019 -1.286 1.00 0.00 ? 35 LYS A HE3 5 ATOM 6299 H HZ1 . LYS A 1 35 ? 17.996 9.080 -3.362 1.00 0.00 ? 35 LYS A HZ1 5 ATOM 6300 H HZ2 . LYS A 1 35 ? 16.440 8.787 -3.959 1.00 0.00 ? 35 LYS A HZ2 5 ATOM 6301 H HZ3 . LYS A 1 35 ? 16.652 9.769 -2.598 1.00 0.00 ? 35 LYS A HZ3 5 ATOM 6302 N N . GLN A 1 36 ? 19.388 6.054 1.958 1.00 0.00 ? 36 GLN A N 5 ATOM 6303 C CA . GLN A 1 36 ? 19.982 7.186 2.658 1.00 0.00 ? 36 GLN A CA 5 ATOM 6304 C C . GLN A 1 36 ? 21.313 6.793 3.291 1.00 0.00 ? 36 GLN A C 5 ATOM 6305 O O . GLN A 1 36 ? 22.204 7.626 3.453 1.00 0.00 ? 36 GLN A O 5 ATOM 6306 C CB . GLN A 1 36 ? 19.026 7.707 3.733 1.00 0.00 ? 36 GLN A CB 5 ATOM 6307 C CG . GLN A 1 36 ? 19.613 8.824 4.579 1.00 0.00 ? 36 GLN A CG 5 ATOM 6308 C CD . GLN A 1 36 ? 19.606 8.499 6.061 1.00 0.00 ? 36 GLN A CD 5 ATOM 6309 O OE1 . GLN A 1 36 ? 18.732 7.782 6.547 1.00 0.00 ? 36 GLN A OE1 5 ATOM 6310 N NE2 . GLN A 1 36 ? 20.584 9.028 6.787 1.00 0.00 ? 36 GLN A NE2 5 ATOM 6311 H H . GLN A 1 36 ? 18.682 5.536 2.398 1.00 0.00 ? 36 GLN A H 5 ATOM 6312 H HA . GLN A 1 36 ? 20.158 7.968 1.935 1.00 0.00 ? 36 GLN A HA 5 ATOM 6313 H HB2 . GLN A 1 36 ? 18.133 8.080 3.254 1.00 0.00 ? 36 GLN A HB2 5 ATOM 6314 H HB3 . GLN A 1 36 ? 18.760 6.891 4.388 1.00 0.00 ? 36 GLN A HB3 5 ATOM 6315 H HG2 . GLN A 1 36 ? 20.634 8.995 4.270 1.00 0.00 ? 36 GLN A HG2 5 ATOM 6316 H HG3 . GLN A 1 36 ? 19.034 9.722 4.420 1.00 0.00 ? 36 GLN A HG3 5 ATOM 6317 H HE21 . GLN A 1 36 ? 21.246 9.591 6.334 1.00 0.00 ? 36 GLN A HE21 5 ATOM 6318 H HE22 . GLN A 1 36 ? 20.603 8.834 7.748 1.00 0.00 ? 36 GLN A HE22 5 ATOM 6319 N N . SER A 1 37 ? 21.439 5.518 3.645 1.00 0.00 ? 37 SER A N 5 ATOM 6320 C CA . SER A 1 37 ? 22.661 5.013 4.259 1.00 0.00 ? 37 SER A CA 5 ATOM 6321 C C . SER A 1 37 ? 23.730 4.751 3.202 1.00 0.00 ? 37 SER A C 5 ATOM 6322 O O . SER A 1 37 ? 24.926 4.821 3.484 1.00 0.00 ? 37 SER A O 5 ATOM 6323 C CB . SER A 1 37 ? 22.373 3.730 5.039 1.00 0.00 ? 37 SER A CB 5 ATOM 6324 O OG . SER A 1 37 ? 23.328 3.532 6.067 1.00 0.00 ? 37 SER A OG 5 ATOM 6325 H H . SER A 1 37 ? 20.693 4.903 3.489 1.00 0.00 ? 37 SER A H 5 ATOM 6326 H HA . SER A 1 37 ? 23.024 5.766 4.942 1.00 0.00 ? 37 SER A HA 5 ATOM 6327 H HB2 . SER A 1 37 ? 21.392 3.794 5.485 1.00 0.00 ? 37 SER A HB2 5 ATOM 6328 H HB3 . SER A 1 37 ? 22.407 2.886 4.366 1.00 0.00 ? 37 SER A HB3 5 ATOM 6329 H HG . SER A 1 37 ? 23.641 2.625 6.044 1.00 0.00 ? 37 SER A HG 5 ATOM 6330 N N . GLU A 1 38 ? 23.289 4.450 1.985 1.00 0.00 ? 38 GLU A N 5 ATOM 6331 C CA . GLU A 1 38 ? 24.208 4.178 0.886 1.00 0.00 ? 38 GLU A CA 5 ATOM 6332 C C . GLU A 1 38 ? 24.784 5.475 0.327 1.00 0.00 ? 38 GLU A C 5 ATOM 6333 O O . GLU A 1 38 ? 25.881 5.488 -0.232 1.00 0.00 ? 38 GLU A O 5 ATOM 6334 C CB . GLU A 1 38 ? 23.494 3.402 -0.223 1.00 0.00 ? 38 GLU A CB 5 ATOM 6335 C CG . GLU A 1 38 ? 24.167 2.085 -0.573 1.00 0.00 ? 38 GLU A CG 5 ATOM 6336 C CD . GLU A 1 38 ? 24.270 1.863 -2.070 1.00 0.00 ? 38 GLU A CD 5 ATOM 6337 O OE1 . GLU A 1 38 ? 24.187 2.854 -2.824 1.00 0.00 ? 38 GLU A OE1 5 ATOM 6338 O OE2 . GLU A 1 38 ? 24.433 0.697 -2.487 1.00 0.00 ? 38 GLU A OE2 5 ATOM 6339 H H . GLU A 1 38 ? 22.323 4.410 1.822 1.00 0.00 ? 38 GLU A H 5 ATOM 6340 H HA . GLU A 1 38 ? 25.017 3.575 1.271 1.00 0.00 ? 38 GLU A HA 5 ATOM 6341 H HB2 . GLU A 1 38 ? 22.483 3.193 0.092 1.00 0.00 ? 38 GLU A HB2 5 ATOM 6342 H HB3 . GLU A 1 38 ? 23.465 4.014 -1.112 1.00 0.00 ? 38 GLU A HB3 5 ATOM 6343 H HG2 . GLU A 1 38 ? 25.161 2.081 -0.155 1.00 0.00 ? 38 GLU A HG2 5 ATOM 6344 H HG3 . GLU A 1 38 ? 23.592 1.278 -0.142 1.00 0.00 ? 38 GLU A HG3 5 ATOM 6345 N N . ASP A 1 39 ? 24.037 6.563 0.482 1.00 0.00 ? 39 ASP A N 5 ATOM 6346 C CA . ASP A 1 39 ? 24.475 7.866 -0.008 1.00 0.00 ? 39 ASP A CA 5 ATOM 6347 C C . ASP A 1 39 ? 25.498 8.486 0.938 1.00 0.00 ? 39 ASP A C 5 ATOM 6348 O O . ASP A 1 39 ? 26.320 9.306 0.528 1.00 0.00 ? 39 ASP A O 5 ATOM 6349 C CB . ASP A 1 39 ? 23.277 8.802 -0.168 1.00 0.00 ? 39 ASP A CB 5 ATOM 6350 C CG . ASP A 1 39 ? 22.569 8.615 -1.495 1.00 0.00 ? 39 ASP A CG 5 ATOM 6351 O OD1 . ASP A 1 39 ? 23.261 8.561 -2.534 1.00 0.00 ? 39 ASP A OD1 5 ATOM 6352 O OD2 . ASP A 1 39 ? 21.323 8.523 -1.497 1.00 0.00 ? 39 ASP A OD2 5 ATOM 6353 H H . ASP A 1 39 ? 23.172 6.489 0.935 1.00 0.00 ? 39 ASP A H 5 ATOM 6354 H HA . ASP A 1 39 ? 24.937 7.719 -0.972 1.00 0.00 ? 39 ASP A HA 5 ATOM 6355 H HB2 . ASP A 1 39 ? 22.569 8.611 0.625 1.00 0.00 ? 39 ASP A HB2 5 ATOM 6356 H HB3 . ASP A 1 39 ? 23.617 9.826 -0.102 1.00 0.00 ? 39 ASP A HB3 5 ATOM 6357 N N . ASP A 1 40 ? 25.443 8.089 2.205 1.00 0.00 ? 40 ASP A N 5 ATOM 6358 C CA . ASP A 1 40 ? 26.365 8.607 3.210 1.00 0.00 ? 40 ASP A CA 5 ATOM 6359 C C . ASP A 1 40 ? 26.196 10.113 3.378 1.00 0.00 ? 40 ASP A C 5 ATOM 6360 O O . ASP A 1 40 ? 27.107 10.887 3.080 1.00 0.00 ? 40 ASP A O 5 ATOM 6361 C CB . ASP A 1 40 ? 27.808 8.283 2.821 1.00 0.00 ? 40 ASP A CB 5 ATOM 6362 C CG . ASP A 1 40 ? 28.282 6.965 3.401 1.00 0.00 ? 40 ASP A CG 5 ATOM 6363 O OD1 . ASP A 1 40 ? 27.761 5.911 2.982 1.00 0.00 ? 40 ASP A OD1 5 ATOM 6364 O OD2 . ASP A 1 40 ? 29.174 6.988 4.275 1.00 0.00 ? 40 ASP A OD2 5 ATOM 6365 H H . ASP A 1 40 ? 24.765 7.433 2.471 1.00 0.00 ? 40 ASP A H 5 ATOM 6366 H HA . ASP A 1 40 ? 26.137 8.123 4.148 1.00 0.00 ? 40 ASP A HA 5 ATOM 6367 H HB2 . ASP A 1 40 ? 27.881 8.228 1.745 1.00 0.00 ? 40 ASP A HB2 5 ATOM 6368 H HB3 . ASP A 1 40 ? 28.456 9.069 3.182 1.00 0.00 ? 40 ASP A HB3 5 ATOM 6369 N N . ASP A 1 41 ? 25.027 10.523 3.857 1.00 0.00 ? 41 ASP A N 5 ATOM 6370 C CA . ASP A 1 41 ? 24.739 11.937 4.066 1.00 0.00 ? 41 ASP A CA 5 ATOM 6371 C C . ASP A 1 41 ? 25.053 12.746 2.812 1.00 0.00 ? 41 ASP A C 5 ATOM 6372 O O . ASP A 1 41 ? 25.250 12.130 1.745 1.00 0.00 ? 41 ASP A O 5 ATOM 6373 C CB . ASP A 1 41 ? 25.546 12.474 5.249 1.00 0.00 ? 41 ASP A CB 5 ATOM 6374 C CG . ASP A 1 41 ? 25.618 11.486 6.397 1.00 0.00 ? 41 ASP A CG 5 ATOM 6375 O OD1 . ASP A 1 41 ? 24.611 11.342 7.120 1.00 0.00 ? 41 ASP A OD1 5 ATOM 6376 O OD2 . ASP A 1 41 ? 26.683 10.856 6.571 1.00 0.00 ? 41 ASP A OD2 5 ATOM 6377 O OXT . ASP A 1 41 ? 25.098 13.991 2.908 1.00 0.00 ? 41 ASP A OXT 5 ATOM 6378 H H . ASP A 1 41 ? 24.341 9.858 4.077 1.00 0.00 ? 41 ASP A H 5 ATOM 6379 H HA . ASP A 1 41 ? 23.686 12.032 4.287 1.00 0.00 ? 41 ASP A HA 5 ATOM 6380 H HB2 . ASP A 1 41 ? 26.552 12.691 4.922 1.00 0.00 ? 41 ASP A HB2 5 ATOM 6381 H HB3 . ASP A 1 41 ? 25.085 13.383 5.609 1.00 0.00 ? 41 ASP A HB3 5 ATOM 6382 N N . ALA B 1 1 ? 30.540 -10.211 -4.732 1.00 0.00 ? 1 ALA B N 5 ATOM 6383 C CA . ALA B 1 1 ? 31.042 -9.010 -4.015 1.00 0.00 ? 1 ALA B CA 5 ATOM 6384 C C . ALA B 1 1 ? 30.753 -9.104 -2.521 1.00 0.00 ? 1 ALA B C 5 ATOM 6385 O O . ALA B 1 1 ? 30.490 -10.187 -1.997 1.00 0.00 ? 1 ALA B O 5 ATOM 6386 C CB . ALA B 1 1 ? 30.418 -7.750 -4.594 1.00 0.00 ? 1 ALA B CB 5 ATOM 6387 H H1 . ALA B 1 1 ? 29.603 -10.442 -4.344 1.00 0.00 ? 1 ALA B H1 5 ATOM 6388 H H2 . ALA B 1 1 ? 30.481 -9.975 -5.743 1.00 0.00 ? 1 ALA B H2 5 ATOM 6389 H H3 . ALA B 1 1 ? 31.215 -10.985 -4.567 1.00 0.00 ? 1 ALA B H3 5 ATOM 6390 H HA . ALA B 1 1 ? 32.112 -8.951 -4.159 1.00 0.00 ? 1 ALA B HA 5 ATOM 6391 H HB1 . ALA B 1 1 ? 29.644 -7.394 -3.930 1.00 0.00 ? 1 ALA B HB1 5 ATOM 6392 H HB2 . ALA B 1 1 ? 31.177 -6.990 -4.705 1.00 0.00 ? 1 ALA B HB2 5 ATOM 6393 H HB3 . ALA B 1 1 ? 29.988 -7.973 -5.560 1.00 0.00 ? 1 ALA B HB3 5 ATOM 6394 N N . LEU B 1 2 ? 30.803 -7.964 -1.841 1.00 0.00 ? 2 LEU B N 5 ATOM 6395 C CA . LEU B 1 2 ? 30.546 -7.918 -0.407 1.00 0.00 ? 2 LEU B CA 5 ATOM 6396 C C . LEU B 1 2 ? 29.372 -6.997 -0.094 1.00 0.00 ? 2 LEU B C 5 ATOM 6397 O O . LEU B 1 2 ? 28.532 -7.310 0.750 1.00 0.00 ? 2 LEU B O 5 ATOM 6398 C CB . LEU B 1 2 ? 31.794 -7.445 0.340 1.00 0.00 ? 2 LEU B CB 5 ATOM 6399 C CG . LEU B 1 2 ? 32.069 -8.163 1.662 1.00 0.00 ? 2 LEU B CG 5 ATOM 6400 C CD1 . LEU B 1 2 ? 30.816 -8.196 2.522 1.00 0.00 ? 2 LEU B CD1 5 ATOM 6401 C CD2 . LEU B 1 2 ? 32.578 -9.574 1.405 1.00 0.00 ? 2 LEU B CD2 5 ATOM 6402 H H . LEU B 1 2 ? 31.019 -7.134 -2.315 1.00 0.00 ? 2 LEU B H 5 ATOM 6403 H HA . LEU B 1 2 ? 30.301 -8.918 -0.082 1.00 0.00 ? 2 LEU B HA 5 ATOM 6404 H HB2 . LEU B 1 2 ? 32.649 -7.585 -0.307 1.00 0.00 ? 2 LEU B HB2 5 ATOM 6405 H HB3 . LEU B 1 2 ? 31.688 -6.391 0.545 1.00 0.00 ? 2 LEU B HB3 5 ATOM 6406 H HG . LEU B 1 2 ? 32.833 -7.625 2.205 1.00 0.00 ? 2 LEU B HG 5 ATOM 6407 H HD11 . LEU B 1 2 ? 30.460 -7.188 2.678 1.00 0.00 ? 2 LEU B HD11 5 ATOM 6408 H HD12 . LEU B 1 2 ? 30.052 -8.774 2.025 1.00 0.00 ? 2 LEU B HD12 5 ATOM 6409 H HD13 . LEU B 1 2 ? 31.045 -8.647 3.477 1.00 0.00 ? 2 LEU B HD13 5 ATOM 6410 H HD21 . LEU B 1 2 ? 33.136 -9.592 0.480 1.00 0.00 ? 2 LEU B HD21 5 ATOM 6411 H HD22 . LEU B 1 2 ? 33.220 -9.879 2.219 1.00 0.00 ? 2 LEU B HD22 5 ATOM 6412 H HD23 . LEU B 1 2 ? 31.741 -10.251 1.333 1.00 0.00 ? 2 LEU B HD23 5 ATOM 6413 N N . LYS B 1 3 ? 29.320 -5.859 -0.778 1.00 0.00 ? 3 LYS B N 5 ATOM 6414 C CA . LYS B 1 3 ? 28.248 -4.892 -0.572 1.00 0.00 ? 3 LYS B CA 5 ATOM 6415 C C . LYS B 1 3 ? 27.433 -4.704 -1.848 1.00 0.00 ? 3 LYS B C 5 ATOM 6416 O O . LYS B 1 3 ? 26.839 -3.649 -2.068 1.00 0.00 ? 3 LYS B O 5 ATOM 6417 C CB . LYS B 1 3 ? 28.823 -3.548 -0.119 1.00 0.00 ? 3 LYS B CB 5 ATOM 6418 C CG . LYS B 1 3 ? 29.348 -3.562 1.308 1.00 0.00 ? 3 LYS B CG 5 ATOM 6419 C CD . LYS B 1 3 ? 30.850 -3.794 1.347 1.00 0.00 ? 3 LYS B CD 5 ATOM 6420 C CE . LYS B 1 3 ? 31.511 -2.981 2.448 1.00 0.00 ? 3 LYS B CE 5 ATOM 6421 N NZ . LYS B 1 3 ? 32.206 -3.850 3.438 1.00 0.00 ? 3 LYS B NZ 5 ATOM 6422 H H . LYS B 1 3 ? 30.019 -5.665 -1.436 1.00 0.00 ? 3 LYS B H 5 ATOM 6423 H HA . LYS B 1 3 ? 27.600 -5.275 0.202 1.00 0.00 ? 3 LYS B HA 5 ATOM 6424 H HB2 . LYS B 1 3 ? 29.637 -3.279 -0.777 1.00 0.00 ? 3 LYS B HB2 5 ATOM 6425 H HB3 . LYS B 1 3 ? 28.051 -2.797 -0.189 1.00 0.00 ? 3 LYS B HB3 5 ATOM 6426 H HG2 . LYS B 1 3 ? 29.130 -2.611 1.770 1.00 0.00 ? 3 LYS B HG2 5 ATOM 6427 H HG3 . LYS B 1 3 ? 28.856 -4.353 1.854 1.00 0.00 ? 3 LYS B HG3 5 ATOM 6428 H HD2 . LYS B 1 3 ? 31.038 -4.842 1.525 1.00 0.00 ? 3 LYS B HD2 5 ATOM 6429 H HD3 . LYS B 1 3 ? 31.274 -3.507 0.395 1.00 0.00 ? 3 LYS B HD3 5 ATOM 6430 H HE2 . LYS B 1 3 ? 32.232 -2.313 2.001 1.00 0.00 ? 3 LYS B HE2 5 ATOM 6431 H HE3 . LYS B 1 3 ? 30.753 -2.404 2.957 1.00 0.00 ? 3 LYS B HE3 5 ATOM 6432 H HZ1 . LYS B 1 3 ? 32.140 -4.846 3.148 1.00 0.00 ? 3 LYS B HZ1 5 ATOM 6433 H HZ2 . LYS B 1 3 ? 33.210 -3.586 3.502 1.00 0.00 ? 3 LYS B HZ2 5 ATOM 6434 H HZ3 . LYS B 1 3 ? 31.769 -3.744 4.375 1.00 0.00 ? 3 LYS B HZ3 5 ATOM 6435 N N . LYS B 1 4 ? 27.408 -5.736 -2.685 1.00 0.00 ? 4 LYS B N 5 ATOM 6436 C CA . LYS B 1 4 ? 26.666 -5.684 -3.940 1.00 0.00 ? 4 LYS B CA 5 ATOM 6437 C C . LYS B 1 4 ? 25.234 -6.171 -3.743 1.00 0.00 ? 4 LYS B C 5 ATOM 6438 O O . LYS B 1 4 ? 24.303 -5.657 -4.364 1.00 0.00 ? 4 LYS B O 5 ATOM 6439 C CB . LYS B 1 4 ? 27.364 -6.530 -5.007 1.00 0.00 ? 4 LYS B CB 5 ATOM 6440 C CG . LYS B 1 4 ? 27.245 -8.027 -4.771 1.00 0.00 ? 4 LYS B CG 5 ATOM 6441 C CD . LYS B 1 4 ? 26.053 -8.614 -5.509 1.00 0.00 ? 4 LYS B CD 5 ATOM 6442 C CE . LYS B 1 4 ? 26.072 -10.133 -5.480 1.00 0.00 ? 4 LYS B CE 5 ATOM 6443 N NZ . LYS B 1 4 ? 24.799 -10.714 -5.990 1.00 0.00 ? 4 LYS B NZ 5 ATOM 6444 H H . LYS B 1 4 ? 27.902 -6.551 -2.455 1.00 0.00 ? 4 LYS B H 5 ATOM 6445 H HA . LYS B 1 4 ? 26.641 -4.656 -4.268 1.00 0.00 ? 4 LYS B HA 5 ATOM 6446 H HB2 . LYS B 1 4 ? 26.932 -6.303 -5.969 1.00 0.00 ? 4 LYS B HB2 5 ATOM 6447 H HB3 . LYS B 1 4 ? 28.413 -6.273 -5.022 1.00 0.00 ? 4 LYS B HB3 5 ATOM 6448 H HG2 . LYS B 1 4 ? 28.145 -8.510 -5.121 1.00 0.00 ? 4 LYS B HG2 5 ATOM 6449 H HG3 . LYS B 1 4 ? 27.126 -8.207 -3.712 1.00 0.00 ? 4 LYS B HG3 5 ATOM 6450 H HD2 . LYS B 1 4 ? 25.144 -8.266 -5.040 1.00 0.00 ? 4 LYS B HD2 5 ATOM 6451 H HD3 . LYS B 1 4 ? 26.079 -8.281 -6.537 1.00 0.00 ? 4 LYS B HD3 5 ATOM 6452 H HE2 . LYS B 1 4 ? 26.888 -10.482 -6.095 1.00 0.00 ? 4 LYS B HE2 5 ATOM 6453 H HE3 . LYS B 1 4 ? 26.225 -10.459 -4.462 1.00 0.00 ? 4 LYS B HE3 5 ATOM 6454 H HZ1 . LYS B 1 4 ? 24.423 -10.131 -6.764 1.00 0.00 ? 4 LYS B HZ1 5 ATOM 6455 H HZ2 . LYS B 1 4 ? 24.964 -11.678 -6.346 1.00 0.00 ? 4 LYS B HZ2 5 ATOM 6456 H HZ3 . LYS B 1 4 ? 24.094 -10.754 -5.227 1.00 0.00 ? 4 LYS B HZ3 5 ATOM 6457 N N . HIS B 1 5 ? 25.064 -7.164 -2.876 1.00 0.00 ? 5 HIS B N 5 ATOM 6458 C CA . HIS B 1 5 ? 23.744 -7.717 -2.598 1.00 0.00 ? 5 HIS B CA 5 ATOM 6459 C C . HIS B 1 5 ? 22.805 -6.638 -2.069 1.00 0.00 ? 5 HIS B C 5 ATOM 6460 O O . HIS B 1 5 ? 21.586 -6.738 -2.211 1.00 0.00 ? 5 HIS B O 5 ATOM 6461 C CB . HIS B 1 5 ? 23.849 -8.860 -1.587 1.00 0.00 ? 5 HIS B CB 5 ATOM 6462 C CG . HIS B 1 5 ? 24.682 -8.526 -0.388 1.00 0.00 ? 5 HIS B CG 5 ATOM 6463 N ND1 . HIS B 1 5 ? 25.764 -9.283 0.012 1.00 0.00 ? 5 HIS B ND1 5 ATOM 6464 C CD2 . HIS B 1 5 ? 24.589 -7.506 0.500 1.00 0.00 ? 5 HIS B CD2 5 ATOM 6465 C CE1 . HIS B 1 5 ? 26.298 -8.746 1.094 1.00 0.00 ? 5 HIS B CE1 5 ATOM 6466 N NE2 . HIS B 1 5 ? 25.605 -7.667 1.409 1.00 0.00 ? 5 HIS B NE2 5 ATOM 6467 H H . HIS B 1 5 ? 25.844 -7.531 -2.411 1.00 0.00 ? 5 HIS B H 5 ATOM 6468 H HA . HIS B 1 5 ? 23.345 -8.102 -3.524 1.00 0.00 ? 5 HIS B HA 5 ATOM 6469 H HB2 . HIS B 1 5 ? 22.859 -9.117 -1.240 1.00 0.00 ? 5 HIS B HB2 5 ATOM 6470 H HB3 . HIS B 1 5 ? 24.290 -9.719 -2.070 1.00 0.00 ? 5 HIS B HB3 5 ATOM 6471 H HD1 . HIS B 1 5 ? 26.089 -10.094 -0.431 1.00 0.00 ? 5 HIS B HD1 5 ATOM 6472 H HD2 . HIS B 1 5 ? 23.853 -6.715 0.493 1.00 0.00 ? 5 HIS B HD2 5 ATOM 6473 H HE1 . HIS B 1 5 ? 27.157 -9.123 1.629 1.00 0.00 ? 5 HIS B HE1 5 ATOM 6474 H HE2 . HIS B 1 5 ? 25.789 -7.078 2.170 1.00 0.00 ? 5 HIS B HE2 5 ATOM 6475 N N . HIS B 1 6 ? 23.381 -5.607 -1.459 1.00 0.00 ? 6 HIS B N 5 ATOM 6476 C CA . HIS B 1 6 ? 22.595 -4.509 -0.909 1.00 0.00 ? 6 HIS B CA 5 ATOM 6477 C C . HIS B 1 6 ? 21.810 -3.801 -2.008 1.00 0.00 ? 6 HIS B C 5 ATOM 6478 O O . HIS B 1 6 ? 20.664 -3.405 -1.804 1.00 0.00 ? 6 HIS B O 5 ATOM 6479 C CB . HIS B 1 6 ? 23.506 -3.511 -0.191 1.00 0.00 ? 6 HIS B CB 5 ATOM 6480 C CG . HIS B 1 6 ? 23.160 -3.318 1.253 1.00 0.00 ? 6 HIS B CG 5 ATOM 6481 N ND1 . HIS B 1 6 ? 22.548 -4.289 2.018 1.00 0.00 ? 6 HIS B ND1 5 ATOM 6482 C CD2 . HIS B 1 6 ? 23.345 -2.257 2.075 1.00 0.00 ? 6 HIS B CD2 5 ATOM 6483 C CE1 . HIS B 1 6 ? 22.371 -3.833 3.246 1.00 0.00 ? 6 HIS B CE1 5 ATOM 6484 N NE2 . HIS B 1 6 ? 22.847 -2.604 3.305 1.00 0.00 ? 6 HIS B NE2 5 ATOM 6485 H H . HIS B 1 6 ? 24.358 -5.584 -1.377 1.00 0.00 ? 6 HIS B H 5 ATOM 6486 H HA . HIS B 1 6 ? 21.899 -4.925 -0.197 1.00 0.00 ? 6 HIS B HA 5 ATOM 6487 H HB2 . HIS B 1 6 ? 24.526 -3.862 -0.244 1.00 0.00 ? 6 HIS B HB2 5 ATOM 6488 H HB3 . HIS B 1 6 ? 23.434 -2.552 -0.682 1.00 0.00 ? 6 HIS B HB3 5 ATOM 6489 H HD1 . HIS B 1 6 ? 22.282 -5.179 1.706 1.00 0.00 ? 6 HIS B HD1 5 ATOM 6490 H HD2 . HIS B 1 6 ? 23.802 -1.313 1.810 1.00 0.00 ? 6 HIS B HD2 5 ATOM 6491 H HE1 . HIS B 1 6 ? 21.917 -4.376 4.062 1.00 0.00 ? 6 HIS B HE1 5 ATOM 6492 H HE2 . HIS B 1 6 ? 22.843 -2.034 4.102 1.00 0.00 ? 6 HIS B HE2 5 ATOM 6493 N N . GLU B 1 7 ? 22.433 -3.648 -3.172 1.00 0.00 ? 7 GLU B N 5 ATOM 6494 C CA . GLU B 1 7 ? 21.787 -2.991 -4.301 1.00 0.00 ? 7 GLU B CA 5 ATOM 6495 C C . GLU B 1 7 ? 20.568 -3.785 -4.758 1.00 0.00 ? 7 GLU B C 5 ATOM 6496 O O . GLU B 1 7 ? 19.627 -3.227 -5.324 1.00 0.00 ? 7 GLU B O 5 ATOM 6497 C CB . GLU B 1 7 ? 22.772 -2.833 -5.460 1.00 0.00 ? 7 GLU B CB 5 ATOM 6498 C CG . GLU B 1 7 ? 23.375 -1.441 -5.560 1.00 0.00 ? 7 GLU B CG 5 ATOM 6499 C CD . GLU B 1 7 ? 22.733 -0.604 -6.649 1.00 0.00 ? 7 GLU B CD 5 ATOM 6500 O OE1 . GLU B 1 7 ? 21.808 -1.111 -7.318 1.00 0.00 ? 7 GLU B OE1 5 ATOM 6501 O OE2 . GLU B 1 7 ? 23.155 0.557 -6.831 1.00 0.00 ? 7 GLU B OE2 5 ATOM 6502 H H . GLU B 1 7 ? 23.346 -3.986 -3.274 1.00 0.00 ? 7 GLU B H 5 ATOM 6503 H HA . GLU B 1 7 ? 21.464 -2.014 -3.976 1.00 0.00 ? 7 GLU B HA 5 ATOM 6504 H HB2 . GLU B 1 7 ? 23.577 -3.542 -5.333 1.00 0.00 ? 7 GLU B HB2 5 ATOM 6505 H HB3 . GLU B 1 7 ? 22.259 -3.046 -6.386 1.00 0.00 ? 7 GLU B HB3 5 ATOM 6506 H HG2 . GLU B 1 7 ? 23.244 -0.937 -4.614 1.00 0.00 ? 7 GLU B HG2 5 ATOM 6507 H HG3 . GLU B 1 7 ? 24.431 -1.534 -5.772 1.00 0.00 ? 7 GLU B HG3 5 ATOM 6508 N N . ASN B 1 8 ? 20.591 -5.090 -4.504 1.00 0.00 ? 8 ASN B N 5 ATOM 6509 C CA . ASN B 1 8 ? 19.485 -5.960 -4.884 1.00 0.00 ? 8 ASN B CA 5 ATOM 6510 C C . ASN B 1 8 ? 18.279 -5.713 -3.985 1.00 0.00 ? 8 ASN B C 5 ATOM 6511 O O . ASN B 1 8 ? 17.191 -5.393 -4.463 1.00 0.00 ? 8 ASN B O 5 ATOM 6512 C CB . ASN B 1 8 ? 19.909 -7.428 -4.801 1.00 0.00 ? 8 ASN B CB 5 ATOM 6513 C CG . ASN B 1 8 ? 19.338 -8.259 -5.934 1.00 0.00 ? 8 ASN B CG 5 ATOM 6514 O OD1 . ASN B 1 8 ? 18.446 -7.815 -6.657 1.00 0.00 ? 8 ASN B OD1 5 ATOM 6515 N ND2 . ASN B 1 8 ? 19.852 -9.473 -6.094 1.00 0.00 ? 8 ASN B ND2 5 ATOM 6516 H H . ASN B 1 8 ? 21.366 -5.475 -4.047 1.00 0.00 ? 8 ASN B H 5 ATOM 6517 H HA . ASN B 1 8 ? 19.213 -5.727 -5.902 1.00 0.00 ? 8 ASN B HA 5 ATOM 6518 H HB2 . ASN B 1 8 ? 20.986 -7.488 -4.844 1.00 0.00 ? 8 ASN B HB2 5 ATOM 6519 H HB3 . ASN B 1 8 ? 19.566 -7.843 -3.865 1.00 0.00 ? 8 ASN B HB3 5 ATOM 6520 H HD21 . ASN B 1 8 ? 20.561 -9.760 -5.481 1.00 0.00 ? 8 ASN B HD21 5 ATOM 6521 H HD22 . ASN B 1 8 ? 19.502 -10.033 -6.819 1.00 0.00 ? 8 ASN B HD22 5 ATOM 6522 N N . GLU B 1 9 ? 18.484 -5.852 -2.679 1.00 0.00 ? 9 GLU B N 5 ATOM 6523 C CA . GLU B 1 9 ? 17.415 -5.630 -1.714 1.00 0.00 ? 9 GLU B CA 5 ATOM 6524 C C . GLU B 1 9 ? 16.926 -4.185 -1.778 1.00 0.00 ? 9 GLU B C 5 ATOM 6525 O O . GLU B 1 9 ? 15.808 -3.878 -1.366 1.00 0.00 ? 9 GLU B O 5 ATOM 6526 C CB . GLU B 1 9 ? 17.899 -5.956 -0.300 1.00 0.00 ? 9 GLU B CB 5 ATOM 6527 C CG . GLU B 1 9 ? 17.055 -7.003 0.407 1.00 0.00 ? 9 GLU B CG 5 ATOM 6528 C CD . GLU B 1 9 ? 16.729 -6.621 1.837 1.00 0.00 ? 9 GLU B CD 5 ATOM 6529 O OE1 . GLU B 1 9 ? 17.499 -5.839 2.433 1.00 0.00 ? 9 GLU B OE1 5 ATOM 6530 O OE2 . GLU B 1 9 ? 15.702 -7.102 2.361 1.00 0.00 ? 9 GLU B OE2 5 ATOM 6531 H H . GLU B 1 9 ? 19.377 -6.100 -2.356 1.00 0.00 ? 9 GLU B H 5 ATOM 6532 H HA . GLU B 1 9 ? 16.596 -6.287 -1.966 1.00 0.00 ? 9 GLU B HA 5 ATOM 6533 H HB2 . GLU B 1 9 ? 18.915 -6.319 -0.354 1.00 0.00 ? 9 GLU B HB2 5 ATOM 6534 H HB3 . GLU B 1 9 ? 17.882 -5.052 0.291 1.00 0.00 ? 9 GLU B HB3 5 ATOM 6535 H HG2 . GLU B 1 9 ? 16.131 -7.128 -0.136 1.00 0.00 ? 9 GLU B HG2 5 ATOM 6536 H HG3 . GLU B 1 9 ? 17.597 -7.938 0.414 1.00 0.00 ? 9 GLU B HG3 5 ATOM 6537 N N . ILE B 1 10 ? 17.774 -3.301 -2.298 1.00 0.00 ? 10 ILE B N 5 ATOM 6538 C CA . ILE B 1 10 ? 17.439 -1.891 -2.419 1.00 0.00 ? 10 ILE B CA 5 ATOM 6539 C C . ILE B 1 10 ? 16.453 -1.673 -3.572 1.00 0.00 ? 10 ILE B C 5 ATOM 6540 O O . ILE B 1 10 ? 15.457 -0.962 -3.426 1.00 0.00 ? 10 ILE B O 5 ATOM 6541 C CB . ILE B 1 10 ? 18.744 -1.036 -2.578 1.00 0.00 ? 10 ILE B CB 5 ATOM 6542 C CG1 . ILE B 1 10 ? 18.966 -0.194 -1.323 1.00 0.00 ? 10 ILE B CG1 5 ATOM 6543 C CG2 . ILE B 1 10 ? 18.753 -0.140 -3.819 1.00 0.00 ? 10 ILE B CG2 5 ATOM 6544 C CD1 . ILE B 1 10 ? 20.410 -0.163 -0.868 1.00 0.00 ? 10 ILE B CD1 5 ATOM 6545 H H . ILE B 1 10 ? 18.651 -3.605 -2.609 1.00 0.00 ? 10 ILE B H 5 ATOM 6546 H HA . ILE B 1 10 ? 16.956 -1.593 -1.499 1.00 0.00 ? 10 ILE B HA 5 ATOM 6547 H HB . ILE B 1 10 ? 19.570 -1.724 -2.674 1.00 0.00 ? 10 ILE B HB 5 ATOM 6548 H HG12 . ILE B 1 10 ? 18.659 0.821 -1.518 1.00 0.00 ? 10 ILE B HG12 5 ATOM 6549 H HG13 . ILE B 1 10 ? 18.373 -0.598 -0.517 1.00 0.00 ? 10 ILE B HG13 5 ATOM 6550 H HG21 . ILE B 1 10 ? 18.370 -0.687 -4.667 1.00 0.00 ? 10 ILE B HG21 5 ATOM 6551 H HG22 . ILE B 1 10 ? 18.137 0.729 -3.642 1.00 0.00 ? 10 ILE B HG22 5 ATOM 6552 H HG23 . ILE B 1 10 ? 19.765 0.175 -4.026 1.00 0.00 ? 10 ILE B HG23 5 ATOM 6553 H HD11 . ILE B 1 10 ? 20.822 -1.161 -0.909 1.00 0.00 ? 10 ILE B HD11 5 ATOM 6554 H HD12 . ILE B 1 10 ? 20.978 0.487 -1.517 1.00 0.00 ? 10 ILE B HD12 5 ATOM 6555 H HD13 . ILE B 1 10 ? 20.460 0.206 0.145 1.00 0.00 ? 10 ILE B HD13 5 ATOM 6556 N N . SER B 1 11 ? 16.738 -2.292 -4.712 1.00 0.00 ? 11 SER B N 5 ATOM 6557 C CA . SER B 1 11 ? 15.879 -2.169 -5.883 1.00 0.00 ? 11 SER B CA 5 ATOM 6558 C C . SER B 1 11 ? 14.540 -2.856 -5.644 1.00 0.00 ? 11 SER B C 5 ATOM 6559 O O . SER B 1 11 ? 13.528 -2.494 -6.245 1.00 0.00 ? 11 SER B O 5 ATOM 6560 C CB . SER B 1 11 ? 16.564 -2.771 -7.112 1.00 0.00 ? 11 SER B CB 5 ATOM 6561 O OG . SER B 1 11 ? 15.960 -2.315 -8.310 1.00 0.00 ? 11 SER B OG 5 ATOM 6562 H H . SER B 1 11 ? 17.545 -2.847 -4.767 1.00 0.00 ? 11 SER B H 5 ATOM 6563 H HA . SER B 1 11 ? 15.706 -1.117 -6.057 1.00 0.00 ? 11 SER B HA 5 ATOM 6564 H HB2 . SER B 1 11 ? 17.605 -2.486 -7.117 1.00 0.00 ? 11 SER B HB2 5 ATOM 6565 H HB3 . SER B 1 11 ? 16.487 -3.848 -7.071 1.00 0.00 ? 11 SER B HB3 5 ATOM 6566 H HG . SER B 1 11 ? 15.626 -1.424 -8.184 1.00 0.00 ? 11 SER B HG 5 ATOM 6567 N N . HIS B 1 12 ? 14.540 -3.849 -4.761 1.00 0.00 ? 12 HIS B N 5 ATOM 6568 C CA . HIS B 1 12 ? 13.326 -4.584 -4.442 1.00 0.00 ? 12 HIS B CA 5 ATOM 6569 C C . HIS B 1 12 ? 12.415 -3.741 -3.544 1.00 0.00 ? 12 HIS B C 5 ATOM 6570 O O . HIS B 1 12 ? 11.211 -3.648 -3.784 1.00 0.00 ? 12 HIS B O 5 ATOM 6571 C CB . HIS B 1 12 ? 13.695 -5.948 -3.810 1.00 0.00 ? 12 HIS B CB 5 ATOM 6572 C CG . HIS B 1 12 ? 12.993 -6.292 -2.525 1.00 0.00 ? 12 HIS B CG 5 ATOM 6573 N ND1 . HIS B 1 12 ? 11.668 -6.669 -2.464 1.00 0.00 ? 12 HIS B ND1 5 ATOM 6574 C CD2 . HIS B 1 12 ? 13.449 -6.316 -1.252 1.00 0.00 ? 12 HIS B CD2 5 ATOM 6575 C CE1 . HIS B 1 12 ? 11.338 -6.908 -1.207 1.00 0.00 ? 12 HIS B CE1 5 ATOM 6576 N NE2 . HIS B 1 12 ? 12.401 -6.702 -0.453 1.00 0.00 ? 12 HIS B NE2 5 ATOM 6577 H H . HIS B 1 12 ? 15.376 -4.091 -4.311 1.00 0.00 ? 12 HIS B H 5 ATOM 6578 H HA . HIS B 1 12 ? 12.805 -4.762 -5.373 1.00 0.00 ? 12 HIS B HA 5 ATOM 6579 H HB2 . HIS B 1 12 ? 13.466 -6.728 -4.518 1.00 0.00 ? 12 HIS B HB2 5 ATOM 6580 H HB3 . HIS B 1 12 ? 14.758 -5.959 -3.616 1.00 0.00 ? 12 HIS B HB3 5 ATOM 6581 H HD1 . HIS B 1 12 ? 11.060 -6.749 -3.229 1.00 0.00 ? 12 HIS B HD1 5 ATOM 6582 H HD2 . HIS B 1 12 ? 14.450 -6.071 -0.925 1.00 0.00 ? 12 HIS B HD2 5 ATOM 6583 H HE1 . HIS B 1 12 ? 10.365 -7.221 -0.857 1.00 0.00 ? 12 HIS B HE1 5 ATOM 6584 H HE2 . HIS B 1 12 ? 12.434 -6.807 0.521 1.00 0.00 ? 12 HIS B HE2 5 ATOM 6585 N N . HIS B 1 13 ? 12.995 -3.119 -2.520 1.00 0.00 ? 13 HIS B N 5 ATOM 6586 C CA . HIS B 1 13 ? 12.220 -2.281 -1.614 1.00 0.00 ? 13 HIS B CA 5 ATOM 6587 C C . HIS B 1 13 ? 11.621 -1.106 -2.374 1.00 0.00 ? 13 HIS B C 5 ATOM 6588 O O . HIS B 1 13 ? 10.552 -0.609 -2.025 1.00 0.00 ? 13 HIS B O 5 ATOM 6589 C CB . HIS B 1 13 ? 13.088 -1.760 -0.471 1.00 0.00 ? 13 HIS B CB 5 ATOM 6590 C CG . HIS B 1 13 ? 13.815 -2.825 0.280 1.00 0.00 ? 13 HIS B CG 5 ATOM 6591 N ND1 . HIS B 1 13 ? 13.341 -4.111 0.428 1.00 0.00 ? 13 HIS B ND1 5 ATOM 6592 C CD2 . HIS B 1 13 ? 14.995 -2.782 0.937 1.00 0.00 ? 13 HIS B CD2 5 ATOM 6593 C CE1 . HIS B 1 13 ? 14.200 -4.815 1.145 1.00 0.00 ? 13 HIS B CE1 5 ATOM 6594 N NE2 . HIS B 1 13 ? 15.213 -4.030 1.465 1.00 0.00 ? 13 HIS B NE2 5 ATOM 6595 H H . HIS B 1 13 ? 13.961 -3.219 -2.378 1.00 0.00 ? 13 HIS B H 5 ATOM 6596 H HA . HIS B 1 13 ? 11.418 -2.881 -1.207 1.00 0.00 ? 13 HIS B HA 5 ATOM 6597 H HB2 . HIS B 1 13 ? 13.823 -1.082 -0.871 1.00 0.00 ? 13 HIS B HB2 5 ATOM 6598 H HB3 . HIS B 1 13 ? 12.461 -1.228 0.229 1.00 0.00 ? 13 HIS B HB3 5 ATOM 6599 H HD1 . HIS B 1 13 ? 12.500 -4.457 0.063 1.00 0.00 ? 13 HIS B HD1 5 ATOM 6600 H HD2 . HIS B 1 13 ? 15.642 -1.921 1.029 1.00 0.00 ? 13 HIS B HD2 5 ATOM 6601 H HE1 . HIS B 1 13 ? 14.093 -5.853 1.421 1.00 0.00 ? 13 HIS B HE1 5 ATOM 6602 H HE2 . HIS B 1 13 ? 15.993 -4.299 1.996 1.00 0.00 ? 13 HIS B HE2 5 ATOM 6603 N N . ALA B 1 14 ? 12.322 -0.666 -3.415 1.00 0.00 ? 14 ALA B N 5 ATOM 6604 C CA . ALA B 1 14 ? 11.860 0.450 -4.230 1.00 0.00 ? 14 ALA B CA 5 ATOM 6605 C C . ALA B 1 14 ? 10.582 0.076 -4.963 1.00 0.00 ? 14 ALA B C 5 ATOM 6606 O O . ALA B 1 14 ? 9.560 0.749 -4.834 1.00 0.00 ? 14 ALA B O 5 ATOM 6607 C CB . ALA B 1 14 ? 12.938 0.868 -5.219 1.00 0.00 ? 14 ALA B CB 5 ATOM 6608 H H . ALA B 1 14 ? 13.168 -1.106 -3.642 1.00 0.00 ? 14 ALA B H 5 ATOM 6609 H HA . ALA B 1 14 ? 11.658 1.284 -3.574 1.00 0.00 ? 14 ALA B HA 5 ATOM 6610 H HB1 . ALA B 1 14 ? 13.780 0.197 -5.140 1.00 0.00 ? 14 ALA B HB1 5 ATOM 6611 H HB2 . ALA B 1 14 ? 12.540 0.831 -6.222 1.00 0.00 ? 14 ALA B HB2 5 ATOM 6612 H HB3 . ALA B 1 14 ? 13.259 1.875 -4.997 1.00 0.00 ? 14 ALA B HB3 5 ATOM 6613 N N . LYS B 1 15 ? 10.643 -1.013 -5.721 1.00 0.00 ? 15 LYS B N 5 ATOM 6614 C CA . LYS B 1 15 ? 9.482 -1.487 -6.460 1.00 0.00 ? 15 LYS B CA 5 ATOM 6615 C C . LYS B 1 15 ? 8.390 -1.960 -5.501 1.00 0.00 ? 15 LYS B C 5 ATOM 6616 O O . LYS B 1 15 ? 7.236 -2.122 -5.897 1.00 0.00 ? 15 LYS B O 5 ATOM 6617 C CB . LYS B 1 15 ? 9.880 -2.626 -7.401 1.00 0.00 ? 15 LYS B CB 5 ATOM 6618 C CG . LYS B 1 15 ? 10.660 -2.163 -8.620 1.00 0.00 ? 15 LYS B CG 5 ATOM 6619 C CD . LYS B 1 15 ? 10.765 -3.262 -9.666 1.00 0.00 ? 15 LYS B CD 5 ATOM 6620 C CE . LYS B 1 15 ? 11.439 -4.503 -9.103 1.00 0.00 ? 15 LYS B CE 5 ATOM 6621 N NZ . LYS B 1 15 ? 12.592 -4.936 -9.941 1.00 0.00 ? 15 LYS B NZ 5 ATOM 6622 H H . LYS B 1 15 ? 11.485 -1.516 -5.773 1.00 0.00 ? 15 LYS B H 5 ATOM 6623 H HA . LYS B 1 15 ? 9.102 -0.664 -7.044 1.00 0.00 ? 15 LYS B HA 5 ATOM 6624 H HB2 . LYS B 1 15 ? 10.491 -3.331 -6.856 1.00 0.00 ? 15 LYS B HB2 5 ATOM 6625 H HB3 . LYS B 1 15 ? 8.986 -3.126 -7.741 1.00 0.00 ? 15 LYS B HB3 5 ATOM 6626 H HG2 . LYS B 1 15 ? 10.158 -1.312 -9.056 1.00 0.00 ? 15 LYS B HG2 5 ATOM 6627 H HG3 . LYS B 1 15 ? 11.655 -1.876 -8.312 1.00 0.00 ? 15 LYS B HG3 5 ATOM 6628 H HD2 . LYS B 1 15 ? 9.772 -3.523 -9.999 1.00 0.00 ? 15 LYS B HD2 5 ATOM 6629 H HD3 . LYS B 1 15 ? 11.343 -2.895 -10.501 1.00 0.00 ? 15 LYS B HD3 5 ATOM 6630 H HE2 . LYS B 1 15 ? 11.792 -4.285 -8.107 1.00 0.00 ? 15 LYS B HE2 5 ATOM 6631 H HE3 . LYS B 1 15 ? 10.714 -5.302 -9.061 1.00 0.00 ? 15 LYS B HE3 5 ATOM 6632 H HZ1 . LYS B 1 15 ? 12.846 -4.185 -10.614 1.00 0.00 ? 15 LYS B HZ1 5 ATOM 6633 H HZ2 . LYS B 1 15 ? 13.414 -5.141 -9.339 1.00 0.00 ? 15 LYS B HZ2 5 ATOM 6634 H HZ3 . LYS B 1 15 ? 12.343 -5.796 -10.472 1.00 0.00 ? 15 LYS B HZ3 5 ATOM 6635 N N . GLU B 1 16 ? 8.760 -2.181 -4.239 1.00 0.00 ? 16 GLU B N 5 ATOM 6636 C CA . GLU B 1 16 ? 7.810 -2.637 -3.234 1.00 0.00 ? 16 GLU B CA 5 ATOM 6637 C C . GLU B 1 16 ? 7.009 -1.472 -2.663 1.00 0.00 ? 16 GLU B C 5 ATOM 6638 O O . GLU B 1 16 ? 5.835 -1.627 -2.333 1.00 0.00 ? 16 GLU B O 5 ATOM 6639 C CB . GLU B 1 16 ? 8.539 -3.370 -2.107 1.00 0.00 ? 16 GLU B CB 5 ATOM 6640 C CG . GLU B 1 16 ? 8.522 -4.882 -2.256 1.00 0.00 ? 16 GLU B CG 5 ATOM 6641 C CD . GLU B 1 16 ? 7.129 -5.466 -2.116 1.00 0.00 ? 16 GLU B CD 5 ATOM 6642 O OE1 . GLU B 1 16 ? 6.316 -5.291 -3.048 1.00 0.00 ? 16 GLU B OE1 5 ATOM 6643 O OE2 . GLU B 1 16 ? 6.852 -6.098 -1.075 1.00 0.00 ? 16 GLU B OE2 5 ATOM 6644 H H . GLU B 1 16 ? 9.693 -2.039 -3.979 1.00 0.00 ? 16 GLU B H 5 ATOM 6645 H HA . GLU B 1 16 ? 7.128 -3.321 -3.713 1.00 0.00 ? 16 GLU B HA 5 ATOM 6646 H HB2 . GLU B 1 16 ? 9.568 -3.044 -2.088 1.00 0.00 ? 16 GLU B HB2 5 ATOM 6647 H HB3 . GLU B 1 16 ? 8.071 -3.117 -1.167 1.00 0.00 ? 16 GLU B HB3 5 ATOM 6648 H HG2 . GLU B 1 16 ? 8.907 -5.141 -3.231 1.00 0.00 ? 16 GLU B HG2 5 ATOM 6649 H HG3 . GLU B 1 16 ? 9.155 -5.314 -1.494 1.00 0.00 ? 16 GLU B HG3 5 ATOM 6650 N N . ILE B 1 17 ? 7.639 -0.304 -2.553 1.00 0.00 ? 17 ILE B N 5 ATOM 6651 C CA . ILE B 1 17 ? 6.957 0.873 -2.026 1.00 0.00 ? 17 ILE B CA 5 ATOM 6652 C C . ILE B 1 17 ? 6.073 1.503 -3.098 1.00 0.00 ? 17 ILE B C 5 ATOM 6653 O O . ILE B 1 17 ? 5.008 2.044 -2.800 1.00 0.00 ? 17 ILE B O 5 ATOM 6654 C CB . ILE B 1 17 ? 7.963 1.918 -1.493 1.00 0.00 ? 17 ILE B CB 5 ATOM 6655 C CG1 . ILE B 1 17 ? 7.241 3.200 -1.059 1.00 0.00 ? 17 ILE B CG1 5 ATOM 6656 C CG2 . ILE B 1 17 ? 9.018 2.226 -2.547 1.00 0.00 ? 17 ILE B CG2 5 ATOM 6657 C CD1 . ILE B 1 17 ? 8.177 4.339 -0.715 1.00 0.00 ? 17 ILE B CD1 5 ATOM 6658 H H . ILE B 1 17 ? 8.578 -0.232 -2.835 1.00 0.00 ? 17 ILE B H 5 ATOM 6659 H HA . ILE B 1 17 ? 6.329 0.557 -1.204 1.00 0.00 ? 17 ILE B HA 5 ATOM 6660 H HB . ILE B 1 17 ? 8.465 1.492 -0.637 1.00 0.00 ? 17 ILE B HB 5 ATOM 6661 H HG12 . ILE B 1 17 ? 6.598 3.532 -1.860 1.00 0.00 ? 17 ILE B HG12 5 ATOM 6662 H HG13 . ILE B 1 17 ? 6.641 2.987 -0.186 1.00 0.00 ? 17 ILE B HG13 5 ATOM 6663 H HG21 . ILE B 1 17 ? 8.535 2.444 -3.487 1.00 0.00 ? 17 ILE B HG21 5 ATOM 6664 H HG22 . ILE B 1 17 ? 9.601 3.079 -2.234 1.00 0.00 ? 17 ILE B HG22 5 ATOM 6665 H HG23 . ILE B 1 17 ? 9.669 1.371 -2.664 1.00 0.00 ? 17 ILE B HG23 5 ATOM 6666 H HD11 . ILE B 1 17 ? 9.060 3.946 -0.234 1.00 0.00 ? 17 ILE B HD11 5 ATOM 6667 H HD12 . ILE B 1 17 ? 8.459 4.858 -1.619 1.00 0.00 ? 17 ILE B HD12 5 ATOM 6668 H HD13 . ILE B 1 17 ? 7.678 5.025 -0.047 1.00 0.00 ? 17 ILE B HD13 5 ATOM 6669 N N . GLU B 1 18 ? 6.516 1.418 -4.346 1.00 0.00 ? 18 GLU B N 5 ATOM 6670 C CA . GLU B 1 18 ? 5.758 1.969 -5.461 1.00 0.00 ? 18 GLU B CA 5 ATOM 6671 C C . GLU B 1 18 ? 4.619 1.033 -5.848 1.00 0.00 ? 18 GLU B C 5 ATOM 6672 O O . GLU B 1 18 ? 3.530 1.479 -6.212 1.00 0.00 ? 18 GLU B O 5 ATOM 6673 C CB . GLU B 1 18 ? 6.674 2.205 -6.663 1.00 0.00 ? 18 GLU B CB 5 ATOM 6674 C CG . GLU B 1 18 ? 7.798 3.190 -6.390 1.00 0.00 ? 18 GLU B CG 5 ATOM 6675 C CD . GLU B 1 18 ? 7.533 4.558 -6.989 1.00 0.00 ? 18 GLU B CD 5 ATOM 6676 O OE1 . GLU B 1 18 ? 6.647 5.271 -6.474 1.00 0.00 ? 18 GLU B OE1 5 ATOM 6677 O OE2 . GLU B 1 18 ? 8.213 4.914 -7.974 1.00 0.00 ? 18 GLU B OE2 5 ATOM 6678 H H . GLU B 1 18 ? 7.368 0.967 -4.522 1.00 0.00 ? 18 GLU B H 5 ATOM 6679 H HA . GLU B 1 18 ? 5.342 2.913 -5.144 1.00 0.00 ? 18 GLU B HA 5 ATOM 6680 H HB2 . GLU B 1 18 ? 7.114 1.263 -6.956 1.00 0.00 ? 18 GLU B HB2 5 ATOM 6681 H HB3 . GLU B 1 18 ? 6.082 2.586 -7.483 1.00 0.00 ? 18 GLU B HB3 5 ATOM 6682 H HG2 . GLU B 1 18 ? 7.911 3.299 -5.320 1.00 0.00 ? 18 GLU B HG2 5 ATOM 6683 H HG3 . GLU B 1 18 ? 8.713 2.799 -6.809 1.00 0.00 ? 18 GLU B HG3 5 ATOM 6684 N N . ARG B 1 19 ? 4.875 -0.269 -5.759 1.00 0.00 ? 19 ARG B N 5 ATOM 6685 C CA . ARG B 1 19 ? 3.867 -1.266 -6.095 1.00 0.00 ? 19 ARG B CA 5 ATOM 6686 C C . ARG B 1 19 ? 2.818 -1.362 -4.995 1.00 0.00 ? 19 ARG B C 5 ATOM 6687 O O . ARG B 1 19 ? 1.642 -1.608 -5.265 1.00 0.00 ? 19 ARG B O 5 ATOM 6688 C CB . ARG B 1 19 ? 4.519 -2.632 -6.319 1.00 0.00 ? 19 ARG B CB 5 ATOM 6689 C CG . ARG B 1 19 ? 5.287 -2.733 -7.626 1.00 0.00 ? 19 ARG B CG 5 ATOM 6690 C CD . ARG B 1 19 ? 4.348 -2.833 -8.818 1.00 0.00 ? 19 ARG B CD 5 ATOM 6691 N NE . ARG B 1 19 ? 4.406 -4.147 -9.451 1.00 0.00 ? 19 ARG B NE 5 ATOM 6692 C CZ . ARG B 1 19 ? 5.488 -4.623 -10.062 1.00 0.00 ? 19 ARG B CZ 5 ATOM 6693 N NH1 . ARG B 1 19 ? 6.595 -3.894 -10.116 1.00 0.00 ? 19 ARG B NH1 5 ATOM 6694 N NH2 . ARG B 1 19 ? 5.463 -5.827 -10.615 1.00 0.00 ? 19 ARG B NH2 5 ATOM 6695 H H . ARG B 1 19 ? 5.760 -0.566 -5.457 1.00 0.00 ? 19 ARG B H 5 ATOM 6696 H HA . ARG B 1 19 ? 3.383 -0.953 -7.008 1.00 0.00 ? 19 ARG B HA 5 ATOM 6697 H HB2 . ARG B 1 19 ? 5.203 -2.829 -5.508 1.00 0.00 ? 19 ARG B HB2 5 ATOM 6698 H HB3 . ARG B 1 19 ? 3.749 -3.389 -6.319 1.00 0.00 ? 19 ARG B HB3 5 ATOM 6699 H HG2 . ARG B 1 19 ? 5.904 -1.853 -7.740 1.00 0.00 ? 19 ARG B HG2 5 ATOM 6700 H HG3 . ARG B 1 19 ? 5.913 -3.612 -7.598 1.00 0.00 ? 19 ARG B HG3 5 ATOM 6701 H HD2 . ARG B 1 19 ? 3.338 -2.652 -8.480 1.00 0.00 ? 19 ARG B HD2 5 ATOM 6702 H HD3 . ARG B 1 19 ? 4.625 -2.081 -9.542 1.00 0.00 ? 19 ARG B HD3 5 ATOM 6703 H HE . ARG B 1 19 ? 3.599 -4.702 -9.422 1.00 0.00 ? 19 ARG B HE 5 ATOM 6704 H HH11 . ARG B 1 19 ? 6.616 -2.986 -9.699 1.00 0.00 ? 19 ARG B HH11 5 ATOM 6705 H HH12 . ARG B 1 19 ? 7.407 -4.254 -10.575 1.00 0.00 ? 19 ARG B HH12 5 ATOM 6706 H HH21 . ARG B 1 19 ? 4.630 -6.379 -10.575 1.00 0.00 ? 19 ARG B HH21 5 ATOM 6707 H HH22 . ARG B 1 19 ? 6.277 -6.183 -11.074 1.00 0.00 ? 19 ARG B HH22 5 ATOM 6708 N N . LEU B 1 20 ? 3.247 -1.159 -3.753 1.00 0.00 ? 20 LEU B N 5 ATOM 6709 C CA . LEU B 1 20 ? 2.335 -1.217 -2.621 1.00 0.00 ? 20 LEU B CA 5 ATOM 6710 C C . LEU B 1 20 ? 1.431 0.007 -2.616 1.00 0.00 ? 20 LEU B C 5 ATOM 6711 O O . LEU B 1 20 ? 0.255 -0.078 -2.261 1.00 0.00 ? 20 LEU B O 5 ATOM 6712 C CB . LEU B 1 20 ? 3.113 -1.304 -1.306 1.00 0.00 ? 20 LEU B CB 5 ATOM 6713 C CG . LEU B 1 20 ? 3.409 -2.724 -0.813 1.00 0.00 ? 20 LEU B CG 5 ATOM 6714 C CD1 . LEU B 1 20 ? 2.184 -3.316 -0.134 1.00 0.00 ? 20 LEU B CD1 5 ATOM 6715 C CD2 . LEU B 1 20 ? 3.863 -3.612 -1.963 1.00 0.00 ? 20 LEU B CD2 5 ATOM 6716 H H . LEU B 1 20 ? 4.195 -0.959 -3.596 1.00 0.00 ? 20 LEU B H 5 ATOM 6717 H HA . LEU B 1 20 ? 1.725 -2.101 -2.731 1.00 0.00 ? 20 LEU B HA 5 ATOM 6718 H HB2 . LEU B 1 20 ? 4.051 -0.784 -1.432 1.00 0.00 ? 20 LEU B HB2 5 ATOM 6719 H HB3 . LEU B 1 20 ? 2.543 -0.797 -0.544 1.00 0.00 ? 20 LEU B HB3 5 ATOM 6720 H HG . LEU B 1 20 ? 4.206 -2.684 -0.085 1.00 0.00 ? 20 LEU B HG 5 ATOM 6721 H HD11 . LEU B 1 20 ? 1.625 -2.530 0.351 1.00 0.00 ? 20 LEU B HD11 5 ATOM 6722 H HD12 . LEU B 1 20 ? 1.561 -3.799 -0.873 1.00 0.00 ? 20 LEU B HD12 5 ATOM 6723 H HD13 . LEU B 1 20 ? 2.497 -4.043 0.602 1.00 0.00 ? 20 LEU B HD13 5 ATOM 6724 H HD21 . LEU B 1 20 ? 4.196 -2.997 -2.785 1.00 0.00 ? 20 LEU B HD21 5 ATOM 6725 H HD22 . LEU B 1 20 ? 4.677 -4.241 -1.633 1.00 0.00 ? 20 LEU B HD22 5 ATOM 6726 H HD23 . LEU B 1 20 ? 3.040 -4.230 -2.287 1.00 0.00 ? 20 LEU B HD23 5 ATOM 6727 N N . GLN B 1 21 ? 1.986 1.145 -3.024 1.00 0.00 ? 21 GLN B N 5 ATOM 6728 C CA . GLN B 1 21 ? 1.227 2.388 -3.076 1.00 0.00 ? 21 GLN B CA 5 ATOM 6729 C C . GLN B 1 21 ? 0.098 2.283 -4.096 1.00 0.00 ? 21 GLN B C 5 ATOM 6730 O O . GLN B 1 21 ? -1.038 2.670 -3.821 1.00 0.00 ? 21 GLN B O 5 ATOM 6731 C CB . GLN B 1 21 ? 2.145 3.559 -3.431 1.00 0.00 ? 21 GLN B CB 5 ATOM 6732 C CG . GLN B 1 21 ? 2.364 4.530 -2.282 1.00 0.00 ? 21 GLN B CG 5 ATOM 6733 C CD . GLN B 1 21 ? 3.001 5.830 -2.731 1.00 0.00 ? 21 GLN B CD 5 ATOM 6734 O OE1 . GLN B 1 21 ? 2.311 6.813 -2.999 1.00 0.00 ? 21 GLN B OE1 5 ATOM 6735 N NE2 . GLN B 1 21 ? 4.326 5.842 -2.815 1.00 0.00 ? 21 GLN B NE2 5 ATOM 6736 H H . GLN B 1 21 ? 2.927 1.148 -3.301 1.00 0.00 ? 21 GLN B H 5 ATOM 6737 H HA . GLN B 1 21 ? 0.800 2.558 -2.099 1.00 0.00 ? 21 GLN B HA 5 ATOM 6738 H HB2 . GLN B 1 21 ? 3.106 3.169 -3.731 1.00 0.00 ? 21 GLN B HB2 5 ATOM 6739 H HB3 . GLN B 1 21 ? 1.713 4.103 -4.257 1.00 0.00 ? 21 GLN B HB3 5 ATOM 6740 H HG2 . GLN B 1 21 ? 1.410 4.752 -1.830 1.00 0.00 ? 21 GLN B HG2 5 ATOM 6741 H HG3 . GLN B 1 21 ? 3.008 4.064 -1.551 1.00 0.00 ? 21 GLN B HG3 5 ATOM 6742 H HE21 . GLN B 1 21 ? 4.812 5.022 -2.586 1.00 0.00 ? 21 GLN B HE21 5 ATOM 6743 H HE22 . GLN B 1 21 ? 4.765 6.669 -3.103 1.00 0.00 ? 21 GLN B HE22 5 ATOM 6744 N N . LYS B 1 22 ? 0.417 1.752 -5.273 1.00 0.00 ? 22 LYS B N 5 ATOM 6745 C CA . LYS B 1 22 ? -0.577 1.593 -6.328 1.00 0.00 ? 22 LYS B CA 5 ATOM 6746 C C . LYS B 1 22 ? -1.682 0.640 -5.885 1.00 0.00 ? 22 LYS B C 5 ATOM 6747 O O . LYS B 1 22 ? -2.855 0.836 -6.209 1.00 0.00 ? 22 LYS B O 5 ATOM 6748 C CB . LYS B 1 22 ? 0.083 1.071 -7.606 1.00 0.00 ? 22 LYS B CB 5 ATOM 6749 C CG . LYS B 1 22 ? 0.258 2.135 -8.678 1.00 0.00 ? 22 LYS B CG 5 ATOM 6750 C CD . LYS B 1 22 ? 1.727 2.403 -8.962 1.00 0.00 ? 22 LYS B CD 5 ATOM 6751 C CE . LYS B 1 22 ? 2.334 1.312 -9.829 1.00 0.00 ? 22 LYS B CE 5 ATOM 6752 N NZ . LYS B 1 22 ? 2.255 1.646 -11.279 1.00 0.00 ? 22 LYS B NZ 5 ATOM 6753 H H . LYS B 1 22 ? 1.339 1.456 -5.434 1.00 0.00 ? 22 LYS B H 5 ATOM 6754 H HA . LYS B 1 22 ? -1.010 2.562 -6.525 1.00 0.00 ? 22 LYS B HA 5 ATOM 6755 H HB2 . LYS B 1 22 ? 1.057 0.676 -7.358 1.00 0.00 ? 22 LYS B HB2 5 ATOM 6756 H HB3 . LYS B 1 22 ? -0.525 0.277 -8.013 1.00 0.00 ? 22 LYS B HB3 5 ATOM 6757 H HG2 . LYS B 1 22 ? -0.218 1.798 -9.586 1.00 0.00 ? 22 LYS B HG2 5 ATOM 6758 H HG3 . LYS B 1 22 ? -0.207 3.050 -8.342 1.00 0.00 ? 22 LYS B HG3 5 ATOM 6759 H HD2 . LYS B 1 22 ? 1.818 3.349 -9.475 1.00 0.00 ? 22 LYS B HD2 5 ATOM 6760 H HD3 . LYS B 1 22 ? 2.263 2.445 -8.025 1.00 0.00 ? 22 LYS B HD3 5 ATOM 6761 H HE2 . LYS B 1 22 ? 3.371 1.188 -9.555 1.00 0.00 ? 22 LYS B HE2 5 ATOM 6762 H HE3 . LYS B 1 22 ? 1.802 0.390 -9.651 1.00 0.00 ? 22 LYS B HE3 5 ATOM 6763 H HZ1 . LYS B 1 22 ? 1.748 2.545 -11.411 1.00 0.00 ? 22 LYS B HZ1 5 ATOM 6764 H HZ2 . LYS B 1 22 ? 3.210 1.738 -11.678 1.00 0.00 ? 22 LYS B HZ2 5 ATOM 6765 H HZ3 . LYS B 1 22 ? 1.748 0.895 -11.791 1.00 0.00 ? 22 LYS B HZ3 5 ATOM 6766 N N . GLU B 1 23 ? -1.300 -0.392 -5.142 1.00 0.00 ? 23 GLU B N 5 ATOM 6767 C CA . GLU B 1 23 ? -2.255 -1.379 -4.651 1.00 0.00 ? 23 GLU B CA 5 ATOM 6768 C C . GLU B 1 23 ? -3.256 -0.741 -3.692 1.00 0.00 ? 23 GLU B C 5 ATOM 6769 O O . GLU B 1 23 ? -4.451 -1.041 -3.738 1.00 0.00 ? 23 GLU B O 5 ATOM 6770 C CB . GLU B 1 23 ? -1.523 -2.526 -3.952 1.00 0.00 ? 23 GLU B CB 5 ATOM 6771 C CG . GLU B 1 23 ? -2.342 -3.803 -3.859 1.00 0.00 ? 23 GLU B CG 5 ATOM 6772 C CD . GLU B 1 23 ? -2.393 -4.559 -5.172 1.00 0.00 ? 23 GLU B CD 5 ATOM 6773 O OE1 . GLU B 1 23 ? -1.474 -4.377 -5.999 1.00 0.00 ? 23 GLU B OE1 5 ATOM 6774 O OE2 . GLU B 1 23 ? -3.351 -5.334 -5.375 1.00 0.00 ? 23 GLU B OE2 5 ATOM 6775 H H . GLU B 1 23 ? -0.351 -0.494 -4.916 1.00 0.00 ? 23 GLU B H 5 ATOM 6776 H HA . GLU B 1 23 ? -2.791 -1.771 -5.502 1.00 0.00 ? 23 GLU B HA 5 ATOM 6777 H HB2 . GLU B 1 23 ? -0.616 -2.743 -4.498 1.00 0.00 ? 23 GLU B HB2 5 ATOM 6778 H HB3 . GLU B 1 23 ? -1.265 -2.216 -2.950 1.00 0.00 ? 23 GLU B HB3 5 ATOM 6779 H HG2 . GLU B 1 23 ? -1.903 -4.443 -3.110 1.00 0.00 ? 23 GLU B HG2 5 ATOM 6780 H HG3 . GLU B 1 23 ? -3.350 -3.548 -3.568 1.00 0.00 ? 23 GLU B HG3 5 ATOM 6781 N N . ILE B 1 24 ? -2.767 0.142 -2.826 1.00 0.00 ? 24 ILE B N 5 ATOM 6782 C CA . ILE B 1 24 ? -3.636 0.814 -1.866 1.00 0.00 ? 24 ILE B CA 5 ATOM 6783 C C . ILE B 1 24 ? -4.676 1.662 -2.600 1.00 0.00 ? 24 ILE B C 5 ATOM 6784 O O . ILE B 1 24 ? -5.836 1.733 -2.196 1.00 0.00 ? 24 ILE B O 5 ATOM 6785 C CB . ILE B 1 24 ? -2.835 1.676 -0.837 1.00 0.00 ? 24 ILE B CB 5 ATOM 6786 C CG1 . ILE B 1 24 ? -2.677 3.135 -1.290 1.00 0.00 ? 24 ILE B CG1 5 ATOM 6787 C CG2 . ILE B 1 24 ? -1.466 1.068 -0.570 1.00 0.00 ? 24 ILE B CG2 5 ATOM 6788 C CD1 . ILE B 1 24 ? -3.846 4.009 -0.892 1.00 0.00 ? 24 ILE B CD1 5 ATOM 6789 H H . ILE B 1 24 ? -1.810 0.346 -2.838 1.00 0.00 ? 24 ILE B H 5 ATOM 6790 H HA . ILE B 1 24 ? -4.160 0.042 -1.315 1.00 0.00 ? 24 ILE B HA 5 ATOM 6791 H HB . ILE B 1 24 ? -3.381 1.662 0.096 1.00 0.00 ? 24 ILE B HB 5 ATOM 6792 H HG12 . ILE B 1 24 ? -1.784 3.551 -0.845 1.00 0.00 ? 24 ILE B HG12 5 ATOM 6793 H HG13 . ILE B 1 24 ? -2.587 3.166 -2.364 1.00 0.00 ? 24 ILE B HG13 5 ATOM 6794 H HG21 . ILE B 1 24 ? -1.473 0.026 -0.856 1.00 0.00 ? 24 ILE B HG21 5 ATOM 6795 H HG22 . ILE B 1 24 ? -0.720 1.594 -1.146 1.00 0.00 ? 24 ILE B HG22 5 ATOM 6796 H HG23 . ILE B 1 24 ? -1.233 1.150 0.481 1.00 0.00 ? 24 ILE B HG23 5 ATOM 6797 H HD11 . ILE B 1 24 ? -4.582 3.411 -0.371 1.00 0.00 ? 24 ILE B HD11 5 ATOM 6798 H HD12 . ILE B 1 24 ? -3.501 4.800 -0.243 1.00 0.00 ? 24 ILE B HD12 5 ATOM 6799 H HD13 . ILE B 1 24 ? -4.292 4.438 -1.778 1.00 0.00 ? 24 ILE B HD13 5 ATOM 6800 N N . GLU B 1 25 ? -4.242 2.300 -3.685 1.00 0.00 ? 25 GLU B N 5 ATOM 6801 C CA . GLU B 1 25 ? -5.124 3.138 -4.485 1.00 0.00 ? 25 GLU B CA 5 ATOM 6802 C C . GLU B 1 25 ? -6.300 2.325 -5.012 1.00 0.00 ? 25 GLU B C 5 ATOM 6803 O O . GLU B 1 25 ? -7.447 2.768 -4.956 1.00 0.00 ? 25 GLU B O 5 ATOM 6804 C CB . GLU B 1 25 ? -4.354 3.761 -5.651 1.00 0.00 ? 25 GLU B CB 5 ATOM 6805 C CG . GLU B 1 25 ? -5.042 4.972 -6.257 1.00 0.00 ? 25 GLU B CG 5 ATOM 6806 C CD . GLU B 1 25 ? -4.423 6.282 -5.807 1.00 0.00 ? 25 GLU B CD 5 ATOM 6807 O OE1 . GLU B 1 25 ? -3.669 6.269 -4.811 1.00 0.00 ? 25 GLU B OE1 5 ATOM 6808 O OE2 . GLU B 1 25 ? -4.692 7.317 -6.449 1.00 0.00 ? 25 GLU B OE2 5 ATOM 6809 H H . GLU B 1 25 ? -3.304 2.198 -3.955 1.00 0.00 ? 25 GLU B H 5 ATOM 6810 H HA . GLU B 1 25 ? -5.500 3.926 -3.851 1.00 0.00 ? 25 GLU B HA 5 ATOM 6811 H HB2 . GLU B 1 25 ? -3.378 4.066 -5.301 1.00 0.00 ? 25 GLU B HB2 5 ATOM 6812 H HB3 . GLU B 1 25 ? -4.233 3.018 -6.425 1.00 0.00 ? 25 GLU B HB3 5 ATOM 6813 H HG2 . GLU B 1 25 ? -4.972 4.911 -7.333 1.00 0.00 ? 25 GLU B HG2 5 ATOM 6814 H HG3 . GLU B 1 25 ? -6.083 4.964 -5.964 1.00 0.00 ? 25 GLU B HG3 5 ATOM 6815 N N . ARG B 1 26 ? -6.008 1.131 -5.519 1.00 0.00 ? 26 ARG B N 5 ATOM 6816 C CA . ARG B 1 26 ? -7.046 0.254 -6.045 1.00 0.00 ? 26 ARG B CA 5 ATOM 6817 C C . ARG B 1 26 ? -8.117 0.014 -4.988 1.00 0.00 ? 26 ARG B C 5 ATOM 6818 O O . ARG B 1 26 ? -9.313 0.166 -5.249 1.00 0.00 ? 26 ARG B O 5 ATOM 6819 C CB . ARG B 1 26 ? -6.444 -1.078 -6.493 1.00 0.00 ? 26 ARG B CB 5 ATOM 6820 C CG . ARG B 1 26 ? -7.078 -1.638 -7.756 1.00 0.00 ? 26 ARG B CG 5 ATOM 6821 C CD . ARG B 1 26 ? -6.358 -2.889 -8.234 1.00 0.00 ? 26 ARG B CD 5 ATOM 6822 N NE . ARG B 1 26 ? -6.804 -3.303 -9.561 1.00 0.00 ? 26 ARG B NE 5 ATOM 6823 C CZ . ARG B 1 26 ? -6.178 -4.216 -10.297 1.00 0.00 ? 26 ARG B CZ 5 ATOM 6824 N NH1 . ARG B 1 26 ? -5.083 -4.806 -9.835 1.00 0.00 ? 26 ARG B NH1 5 ATOM 6825 N NH2 . ARG B 1 26 ? -6.645 -4.540 -11.494 1.00 0.00 ? 26 ARG B NH2 5 ATOM 6826 H H . ARG B 1 26 ? -5.075 0.830 -5.531 1.00 0.00 ? 26 ARG B H 5 ATOM 6827 H HA . ARG B 1 26 ? -7.496 0.745 -6.895 1.00 0.00 ? 26 ARG B HA 5 ATOM 6828 H HB2 . ARG B 1 26 ? -5.389 -0.938 -6.679 1.00 0.00 ? 26 ARG B HB2 5 ATOM 6829 H HB3 . ARG B 1 26 ? -6.568 -1.802 -5.702 1.00 0.00 ? 26 ARG B HB3 5 ATOM 6830 H HG2 . ARG B 1 26 ? -8.109 -1.886 -7.549 1.00 0.00 ? 26 ARG B HG2 5 ATOM 6831 H HG3 . ARG B 1 26 ? -7.035 -0.889 -8.532 1.00 0.00 ? 26 ARG B HG3 5 ATOM 6832 H HD2 . ARG B 1 26 ? -5.298 -2.686 -8.269 1.00 0.00 ? 26 ARG B HD2 5 ATOM 6833 H HD3 . ARG B 1 26 ? -6.549 -3.688 -7.535 1.00 0.00 ? 26 ARG B HD3 5 ATOM 6834 H HE . ARG B 1 26 ? -7.610 -2.880 -9.923 1.00 0.00 ? 26 ARG B HE 5 ATOM 6835 H HH11 . ARG B 1 26 ? -4.728 -4.563 -8.932 1.00 0.00 ? 26 ARG B HH11 5 ATOM 6836 H HH12 . ARG B 1 26 ? -4.614 -5.493 -10.390 1.00 0.00 ? 26 ARG B HH12 5 ATOM 6837 H HH21 . ARG B 1 26 ? -7.469 -4.097 -11.846 1.00 0.00 ? 26 ARG B HH21 5 ATOM 6838 H HH22 . ARG B 1 26 ? -6.172 -5.226 -12.047 1.00 0.00 ? 26 ARG B HH22 5 ATOM 6839 N N . HIS B 1 27 ? -7.678 -0.350 -3.788 1.00 0.00 ? 27 HIS B N 5 ATOM 6840 C CA . HIS B 1 27 ? -8.598 -0.596 -2.686 1.00 0.00 ? 27 HIS B CA 5 ATOM 6841 C C . HIS B 1 27 ? -9.351 0.680 -2.327 1.00 0.00 ? 27 HIS B C 5 ATOM 6842 O O . HIS B 1 27 ? -10.464 0.632 -1.804 1.00 0.00 ? 27 HIS B O 5 ATOM 6843 C CB . HIS B 1 27 ? -7.838 -1.118 -1.465 1.00 0.00 ? 27 HIS B CB 5 ATOM 6844 C CG . HIS B 1 27 ? -7.878 -2.608 -1.328 1.00 0.00 ? 27 HIS B CG 5 ATOM 6845 N ND1 . HIS B 1 27 ? -9.028 -3.306 -1.019 1.00 0.00 ? 27 HIS B ND1 5 ATOM 6846 C CD2 . HIS B 1 27 ? -6.901 -3.537 -1.460 1.00 0.00 ? 27 HIS B CD2 5 ATOM 6847 C CE1 . HIS B 1 27 ? -8.757 -4.598 -0.967 1.00 0.00 ? 27 HIS B CE1 5 ATOM 6848 N NE2 . HIS B 1 27 ? -7.474 -4.764 -1.232 1.00 0.00 ? 27 HIS B NE2 5 ATOM 6849 H H . HIS B 1 27 ? -6.712 -0.444 -3.638 1.00 0.00 ? 27 HIS B H 5 ATOM 6850 H HA . HIS B 1 27 ? -9.309 -1.344 -3.006 1.00 0.00 ? 27 HIS B HA 5 ATOM 6851 H HB2 . HIS B 1 27 ? -6.803 -0.819 -1.538 1.00 0.00 ? 27 HIS B HB2 5 ATOM 6852 H HB3 . HIS B 1 27 ? -8.269 -0.690 -0.572 1.00 0.00 ? 27 HIS B HB3 5 ATOM 6853 H HD1 . HIS B 1 27 ? -9.912 -2.913 -0.861 1.00 0.00 ? 27 HIS B HD1 5 ATOM 6854 H HD2 . HIS B 1 27 ? -5.865 -3.348 -1.702 1.00 0.00 ? 27 HIS B HD2 5 ATOM 6855 H HE1 . HIS B 1 27 ? -9.463 -5.385 -0.747 1.00 0.00 ? 27 HIS B HE1 5 ATOM 6856 H HE2 . HIS B 1 27 ? -7.008 -5.626 -1.260 1.00 0.00 ? 27 HIS B HE2 5 ATOM 6857 N N . LYS B 1 28 ? -8.735 1.823 -2.618 1.00 0.00 ? 28 LYS B N 5 ATOM 6858 C CA . LYS B 1 28 ? -9.341 3.118 -2.334 1.00 0.00 ? 28 LYS B CA 5 ATOM 6859 C C . LYS B 1 28 ? -10.442 3.430 -3.340 1.00 0.00 ? 28 LYS B C 5 ATOM 6860 O O . LYS B 1 28 ? -11.375 4.177 -3.043 1.00 0.00 ? 28 LYS B O 5 ATOM 6861 C CB . LYS B 1 28 ? -8.280 4.219 -2.366 1.00 0.00 ? 28 LYS B CB 5 ATOM 6862 C CG . LYS B 1 28 ? -8.839 5.611 -2.115 1.00 0.00 ? 28 LYS B CG 5 ATOM 6863 C CD . LYS B 1 28 ? -7.813 6.688 -2.427 1.00 0.00 ? 28 LYS B CD 5 ATOM 6864 C CE . LYS B 1 28 ? -6.629 6.622 -1.475 1.00 0.00 ? 28 LYS B CE 5 ATOM 6865 N NZ . LYS B 1 28 ? -6.935 7.259 -0.164 1.00 0.00 ? 28 LYS B NZ 5 ATOM 6866 H H . LYS B 1 28 ? -7.850 1.795 -3.037 1.00 0.00 ? 28 LYS B H 5 ATOM 6867 H HA . LYS B 1 28 ? -9.773 3.073 -1.346 1.00 0.00 ? 28 LYS B HA 5 ATOM 6868 H HB2 . LYS B 1 28 ? -7.538 4.010 -1.610 1.00 0.00 ? 28 LYS B HB2 5 ATOM 6869 H HB3 . LYS B 1 28 ? -7.804 4.216 -3.335 1.00 0.00 ? 28 LYS B HB3 5 ATOM 6870 H HG2 . LYS B 1 28 ? -9.704 5.759 -2.743 1.00 0.00 ? 28 LYS B HG2 5 ATOM 6871 H HG3 . LYS B 1 28 ? -9.127 5.690 -1.077 1.00 0.00 ? 28 LYS B HG3 5 ATOM 6872 H HD2 . LYS B 1 28 ? -7.457 6.551 -3.437 1.00 0.00 ? 28 LYS B HD2 5 ATOM 6873 H HD3 . LYS B 1 28 ? -8.283 7.656 -2.337 1.00 0.00 ? 28 LYS B HD3 5 ATOM 6874 H HE2 . LYS B 1 28 ? -6.372 5.587 -1.311 1.00 0.00 ? 28 LYS B HE2 5 ATOM 6875 H HE3 . LYS B 1 28 ? -5.791 7.132 -1.928 1.00 0.00 ? 28 LYS B HE3 5 ATOM 6876 H HZ1 . LYS B 1 28 ? -7.914 7.050 0.115 1.00 0.00 ? 28 LYS B HZ1 5 ATOM 6877 H HZ2 . LYS B 1 28 ? -6.293 6.894 0.568 1.00 0.00 ? 28 LYS B HZ2 5 ATOM 6878 H HZ3 . LYS B 1 28 ? -6.817 8.290 -0.231 1.00 0.00 ? 28 LYS B HZ3 5 ATOM 6879 N N . GLN B 1 29 ? -10.327 2.854 -4.532 1.00 0.00 ? 29 GLN B N 5 ATOM 6880 C CA . GLN B 1 29 ? -11.314 3.068 -5.582 1.00 0.00 ? 29 GLN B CA 5 ATOM 6881 C C . GLN B 1 29 ? -12.565 2.239 -5.321 1.00 0.00 ? 29 GLN B C 5 ATOM 6882 O O . GLN B 1 29 ? -13.679 2.662 -5.629 1.00 0.00 ? 29 GLN B O 5 ATOM 6883 C CB . GLN B 1 29 ? -10.724 2.710 -6.947 1.00 0.00 ? 29 GLN B CB 5 ATOM 6884 C CG . GLN B 1 29 ? -11.588 3.148 -8.117 1.00 0.00 ? 29 GLN B CG 5 ATOM 6885 C CD . GLN B 1 29 ? -10.898 2.964 -9.454 1.00 0.00 ? 29 GLN B CD 5 ATOM 6886 O OE1 . GLN B 1 29 ? -10.209 1.969 -9.678 1.00 0.00 ? 29 GLN B OE1 5 ATOM 6887 N NE2 . GLN B 1 29 ? -11.079 3.926 -10.352 1.00 0.00 ? 29 GLN B NE2 5 ATOM 6888 H H . GLN B 1 29 ? -9.562 2.268 -4.707 1.00 0.00 ? 29 GLN B H 5 ATOM 6889 H HA . GLN B 1 29 ? -11.582 4.113 -5.577 1.00 0.00 ? 29 GLN B HA 5 ATOM 6890 H HB2 . GLN B 1 29 ? -9.757 3.183 -7.044 1.00 0.00 ? 29 GLN B HB2 5 ATOM 6891 H HB3 . GLN B 1 29 ? -10.597 1.638 -7.003 1.00 0.00 ? 29 GLN B HB3 5 ATOM 6892 H HG2 . GLN B 1 29 ? -12.497 2.565 -8.116 1.00 0.00 ? 29 GLN B HG2 5 ATOM 6893 H HG3 . GLN B 1 29 ? -11.834 4.194 -7.995 1.00 0.00 ? 29 GLN B HG3 5 ATOM 6894 H HE21 . GLN B 1 29 ? -11.642 4.690 -10.105 1.00 0.00 ? 29 GLN B HE21 5 ATOM 6895 H HE22 . GLN B 1 29 ? -10.645 3.833 -11.225 1.00 0.00 ? 29 GLN B HE22 5 ATOM 6896 N N . SER B 1 30 ? -12.374 1.054 -4.748 1.00 0.00 ? 30 SER B N 5 ATOM 6897 C CA . SER B 1 30 ? -13.491 0.167 -4.443 1.00 0.00 ? 30 SER B CA 5 ATOM 6898 C C . SER B 1 30 ? -14.252 0.656 -3.214 1.00 0.00 ? 30 SER B C 5 ATOM 6899 O O . SER B 1 30 ? -15.482 0.614 -3.177 1.00 0.00 ? 30 SER B O 5 ATOM 6900 C CB . SER B 1 30 ? -12.989 -1.260 -4.214 1.00 0.00 ? 30 SER B CB 5 ATOM 6901 O OG . SER B 1 30 ? -12.884 -1.967 -5.437 1.00 0.00 ? 30 SER B OG 5 ATOM 6902 H H . SER B 1 30 ? -11.461 0.771 -4.526 1.00 0.00 ? 30 SER B H 5 ATOM 6903 H HA . SER B 1 30 ? -14.160 0.172 -5.291 1.00 0.00 ? 30 SER B HA 5 ATOM 6904 H HB2 . SER B 1 30 ? -12.016 -1.227 -3.747 1.00 0.00 ? 30 SER B HB2 5 ATOM 6905 H HB3 . SER B 1 30 ? -13.680 -1.783 -3.568 1.00 0.00 ? 30 SER B HB3 5 ATOM 6906 H HG . SER B 1 30 ? -11.958 -2.137 -5.630 1.00 0.00 ? 30 SER B HG 5 ATOM 6907 N N . ILE B 1 31 ? -13.513 1.120 -2.213 1.00 0.00 ? 31 ILE B N 5 ATOM 6908 C CA . ILE B 1 31 ? -14.114 1.620 -0.981 1.00 0.00 ? 31 ILE B CA 5 ATOM 6909 C C . ILE B 1 31 ? -14.688 3.018 -1.187 1.00 0.00 ? 31 ILE B C 5 ATOM 6910 O O . ILE B 1 31 ? -15.635 3.418 -0.508 1.00 0.00 ? 31 ILE B O 5 ATOM 6911 C CB . ILE B 1 31 ? -13.079 1.645 0.165 1.00 0.00 ? 31 ILE B CB 5 ATOM 6912 C CG1 . ILE B 1 31 ? -13.674 2.235 1.448 1.00 0.00 ? 31 ILE B CG1 5 ATOM 6913 C CG2 . ILE B 1 31 ? -11.847 2.432 -0.250 1.00 0.00 ? 31 ILE B CG2 5 ATOM 6914 C CD1 . ILE B 1 31 ? -14.476 1.244 2.262 1.00 0.00 ? 31 ILE B CD1 5 ATOM 6915 H H . ILE B 1 31 ? -12.536 1.127 -2.303 1.00 0.00 ? 31 ILE B H 5 ATOM 6916 H HA . ILE B 1 31 ? -14.914 0.950 -0.704 1.00 0.00 ? 31 ILE B HA 5 ATOM 6917 H HB . ILE B 1 31 ? -12.776 0.627 0.356 1.00 0.00 ? 31 ILE B HB 5 ATOM 6918 H HG12 . ILE B 1 31 ? -12.869 2.594 2.073 1.00 0.00 ? 31 ILE B HG12 5 ATOM 6919 H HG13 . ILE B 1 31 ? -14.321 3.061 1.198 1.00 0.00 ? 31 ILE B HG13 5 ATOM 6920 H HG21 . ILE B 1 31 ? -11.903 2.661 -1.305 1.00 0.00 ? 31 ILE B HG21 5 ATOM 6921 H HG22 . ILE B 1 31 ? -11.798 3.350 0.315 1.00 0.00 ? 31 ILE B HG22 5 ATOM 6922 H HG23 . ILE B 1 31 ? -10.962 1.844 -0.057 1.00 0.00 ? 31 ILE B HG23 5 ATOM 6923 H HD11 . ILE B 1 31 ? -14.038 0.264 2.165 1.00 0.00 ? 31 ILE B HD11 5 ATOM 6924 H HD12 . ILE B 1 31 ? -14.467 1.540 3.299 1.00 0.00 ? 31 ILE B HD12 5 ATOM 6925 H HD13 . ILE B 1 31 ? -15.494 1.222 1.903 1.00 0.00 ? 31 ILE B HD13 5 ATOM 6926 N N . LYS B 1 32 ? -14.115 3.755 -2.133 1.00 0.00 ? 32 LYS B N 5 ATOM 6927 C CA . LYS B 1 32 ? -14.576 5.105 -2.431 1.00 0.00 ? 32 LYS B CA 5 ATOM 6928 C C . LYS B 1 32 ? -15.780 5.073 -3.366 1.00 0.00 ? 32 LYS B C 5 ATOM 6929 O O . LYS B 1 32 ? -16.627 5.967 -3.334 1.00 0.00 ? 32 LYS B O 5 ATOM 6930 C CB . LYS B 1 32 ? -13.447 5.926 -3.060 1.00 0.00 ? 32 LYS B CB 5 ATOM 6931 C CG . LYS B 1 32 ? -13.866 7.331 -3.456 1.00 0.00 ? 32 LYS B CG 5 ATOM 6932 C CD . LYS B 1 32 ? -13.994 8.238 -2.243 1.00 0.00 ? 32 LYS B CD 5 ATOM 6933 C CE . LYS B 1 32 ? -12.632 8.621 -1.688 1.00 0.00 ? 32 LYS B CE 5 ATOM 6934 N NZ . LYS B 1 32 ? -12.423 10.095 -1.698 1.00 0.00 ? 32 LYS B NZ 5 ATOM 6935 H H . LYS B 1 32 ? -13.369 3.380 -2.646 1.00 0.00 ? 32 LYS B H 5 ATOM 6936 H HA . LYS B 1 32 ? -14.870 5.568 -1.501 1.00 0.00 ? 32 LYS B HA 5 ATOM 6937 H HB2 . LYS B 1 32 ? -12.635 6.001 -2.353 1.00 0.00 ? 32 LYS B HB2 5 ATOM 6938 H HB3 . LYS B 1 32 ? -13.096 5.415 -3.945 1.00 0.00 ? 32 LYS B HB3 5 ATOM 6939 H HG2 . LYS B 1 32 ? -13.123 7.743 -4.123 1.00 0.00 ? 32 LYS B HG2 5 ATOM 6940 H HG3 . LYS B 1 32 ? -14.820 7.284 -3.962 1.00 0.00 ? 32 LYS B HG3 5 ATOM 6941 H HD2 . LYS B 1 32 ? -14.520 9.135 -2.529 1.00 0.00 ? 32 LYS B HD2 5 ATOM 6942 H HD3 . LYS B 1 32 ? -14.553 7.719 -1.477 1.00 0.00 ? 32 LYS B HD3 5 ATOM 6943 H HE2 . LYS B 1 32 ? -12.558 8.263 -0.672 1.00 0.00 ? 32 LYS B HE2 5 ATOM 6944 H HE3 . LYS B 1 32 ? -11.867 8.153 -2.290 1.00 0.00 ? 32 LYS B HE3 5 ATOM 6945 H HZ1 . LYS B 1 32 ? -12.747 10.496 -2.601 1.00 0.00 ? 32 LYS B HZ1 5 ATOM 6946 H HZ2 . LYS B 1 32 ? -12.958 10.537 -0.923 1.00 0.00 ? 32 LYS B HZ2 5 ATOM 6947 H HZ3 . LYS B 1 32 ? -11.413 10.313 -1.576 1.00 0.00 ? 32 LYS B HZ3 5 ATOM 6948 N N . LYS B 1 33 ? -15.851 4.038 -4.195 1.00 0.00 ? 33 LYS B N 5 ATOM 6949 C CA . LYS B 1 33 ? -16.955 3.889 -5.135 1.00 0.00 ? 33 LYS B CA 5 ATOM 6950 C C . LYS B 1 33 ? -18.171 3.284 -4.445 1.00 0.00 ? 33 LYS B C 5 ATOM 6951 O O . LYS B 1 33 ? -19.312 3.602 -4.779 1.00 0.00 ? 33 LYS B O 5 ATOM 6952 C CB . LYS B 1 33 ? -16.535 3.012 -6.317 1.00 0.00 ? 33 LYS B CB 5 ATOM 6953 C CG . LYS B 1 33 ? -17.595 2.904 -7.400 1.00 0.00 ? 33 LYS B CG 5 ATOM 6954 C CD . LYS B 1 33 ? -17.295 1.765 -8.361 1.00 0.00 ? 33 LYS B CD 5 ATOM 6955 C CE . LYS B 1 33 ? -18.317 1.700 -9.484 1.00 0.00 ? 33 LYS B CE 5 ATOM 6956 N NZ . LYS B 1 33 ? -17.680 1.828 -10.824 1.00 0.00 ? 33 LYS B NZ 5 ATOM 6957 H H . LYS B 1 33 ? -15.148 3.355 -4.172 1.00 0.00 ? 33 LYS B H 5 ATOM 6958 H HA . LYS B 1 33 ? -17.215 4.871 -5.499 1.00 0.00 ? 33 LYS B HA 5 ATOM 6959 H HB2 . LYS B 1 33 ? -15.641 3.428 -6.758 1.00 0.00 ? 33 LYS B HB2 5 ATOM 6960 H HB3 . LYS B 1 33 ? -16.318 2.019 -5.955 1.00 0.00 ? 33 LYS B HB3 5 ATOM 6961 H HG2 . LYS B 1 33 ? -18.554 2.726 -6.936 1.00 0.00 ? 33 LYS B HG2 5 ATOM 6962 H HG3 . LYS B 1 33 ? -17.627 3.830 -7.954 1.00 0.00 ? 33 LYS B HG3 5 ATOM 6963 H HD2 . LYS B 1 33 ? -16.315 1.915 -8.789 1.00 0.00 ? 33 LYS B HD2 5 ATOM 6964 H HD3 . LYS B 1 33 ? -17.313 0.832 -7.816 1.00 0.00 ? 33 LYS B HD3 5 ATOM 6965 H HE2 . LYS B 1 33 ? -18.833 0.753 -9.430 1.00 0.00 ? 33 LYS B HE2 5 ATOM 6966 H HE3 . LYS B 1 33 ? -19.027 2.504 -9.354 1.00 0.00 ? 33 LYS B HE3 5 ATOM 6967 H HZ1 . LYS B 1 33 ? -16.789 2.359 -10.747 1.00 0.00 ? 33 LYS B HZ1 5 ATOM 6968 H HZ2 . LYS B 1 33 ? -17.476 0.885 -11.214 1.00 0.00 ? 33 LYS B HZ2 5 ATOM 6969 H HZ3 . LYS B 1 33 ? -18.316 2.329 -11.476 1.00 0.00 ? 33 LYS B HZ3 5 ATOM 6970 N N . LEU B 1 34 ? -17.919 2.410 -3.476 1.00 0.00 ? 34 LEU B N 5 ATOM 6971 C CA . LEU B 1 34 ? -18.991 1.763 -2.732 1.00 0.00 ? 34 LEU B CA 5 ATOM 6972 C C . LEU B 1 34 ? -19.540 2.699 -1.661 1.00 0.00 ? 34 LEU B C 5 ATOM 6973 O O . LEU B 1 34 ? -20.724 2.648 -1.325 1.00 0.00 ? 34 LEU B O 5 ATOM 6974 C CB . LEU B 1 34 ? -18.489 0.469 -2.091 1.00 0.00 ? 34 LEU B CB 5 ATOM 6975 C CG . LEU B 1 34 ? -19.021 -0.818 -2.725 1.00 0.00 ? 34 LEU B CG 5 ATOM 6976 C CD1 . LEU B 1 34 ? -17.872 -1.718 -3.153 1.00 0.00 ? 34 LEU B CD1 5 ATOM 6977 C CD2 . LEU B 1 34 ? -19.939 -1.548 -1.756 1.00 0.00 ? 34 LEU B CD2 5 ATOM 6978 H H . LEU B 1 34 ? -16.987 2.199 -3.251 1.00 0.00 ? 34 LEU B H 5 ATOM 6979 H HA . LEU B 1 34 ? -19.782 1.528 -3.429 1.00 0.00 ? 34 LEU B HA 5 ATOM 6980 H HB2 . LEU B 1 34 ? -17.410 0.456 -2.153 1.00 0.00 ? 34 LEU B HB2 5 ATOM 6981 H HB3 . LEU B 1 34 ? -18.772 0.475 -1.050 1.00 0.00 ? 34 LEU B HB3 5 ATOM 6982 H HG . LEU B 1 34 ? -19.594 -0.567 -3.606 1.00 0.00 ? 34 LEU B HG 5 ATOM 6983 H HD11 . LEU B 1 34 ? -16.948 -1.345 -2.736 1.00 0.00 ? 34 LEU B HD11 5 ATOM 6984 H HD12 . LEU B 1 34 ? -18.049 -2.721 -2.796 1.00 0.00 ? 34 LEU B HD12 5 ATOM 6985 H HD13 . LEU B 1 34 ? -17.804 -1.726 -4.231 1.00 0.00 ? 34 LEU B HD13 5 ATOM 6986 H HD21 . LEU B 1 34 ? -19.441 -1.662 -0.805 1.00 0.00 ? 34 LEU B HD21 5 ATOM 6987 H HD22 . LEU B 1 34 ? -20.846 -0.979 -1.621 1.00 0.00 ? 34 LEU B HD22 5 ATOM 6988 H HD23 . LEU B 1 34 ? -20.181 -2.523 -2.154 1.00 0.00 ? 34 LEU B HD23 5 ATOM 6989 N N . LYS B 1 35 ? -18.673 3.555 -1.130 1.00 0.00 ? 35 LYS B N 5 ATOM 6990 C CA . LYS B 1 35 ? -19.072 4.505 -0.099 1.00 0.00 ? 35 LYS B CA 5 ATOM 6991 C C . LYS B 1 35 ? -19.778 5.708 -0.717 1.00 0.00 ? 35 LYS B C 5 ATOM 6992 O O . LYS B 1 35 ? -20.658 6.307 -0.101 1.00 0.00 ? 35 LYS B O 5 ATOM 6993 C CB . LYS B 1 35 ? -17.851 4.967 0.698 1.00 0.00 ? 35 LYS B CB 5 ATOM 6994 C CG . LYS B 1 35 ? -18.202 5.611 2.030 1.00 0.00 ? 35 LYS B CG 5 ATOM 6995 C CD . LYS B 1 35 ? -18.237 7.127 1.924 1.00 0.00 ? 35 LYS B CD 5 ATOM 6996 C CE . LYS B 1 35 ? -16.877 7.736 2.227 1.00 0.00 ? 35 LYS B CE 5 ATOM 6997 N NZ . LYS B 1 35 ? -16.990 8.935 3.104 1.00 0.00 ? 35 LYS B NZ 5 ATOM 6998 H H . LYS B 1 35 ? -17.743 3.549 -1.441 1.00 0.00 ? 35 LYS B H 5 ATOM 6999 H HA . LYS B 1 35 ? -19.758 4.003 0.567 1.00 0.00 ? 35 LYS B HA 5 ATOM 7000 H HB2 . LYS B 1 35 ? -17.217 4.115 0.890 1.00 0.00 ? 35 LYS B HB2 5 ATOM 7001 H HB3 . LYS B 1 35 ? -17.302 5.688 0.109 1.00 0.00 ? 35 LYS B HB3 5 ATOM 7002 H HG2 . LYS B 1 35 ? -19.173 5.259 2.343 1.00 0.00 ? 35 LYS B HG2 5 ATOM 7003 H HG3 . LYS B 1 35 ? -17.461 5.326 2.762 1.00 0.00 ? 35 LYS B HG3 5 ATOM 7004 H HD2 . LYS B 1 35 ? -18.528 7.402 0.922 1.00 0.00 ? 35 LYS B HD2 5 ATOM 7005 H HD3 . LYS B 1 35 ? -18.960 7.510 2.630 1.00 0.00 ? 35 LYS B HD3 5 ATOM 7006 H HE2 . LYS B 1 35 ? -16.267 6.996 2.722 1.00 0.00 ? 35 LYS B HE2 5 ATOM 7007 H HE3 . LYS B 1 35 ? -16.412 8.024 1.296 1.00 0.00 ? 35 LYS B HE3 5 ATOM 7008 H HZ1 . LYS B 1 35 ? -17.984 9.090 3.371 1.00 0.00 ? 35 LYS B HZ1 5 ATOM 7009 H HZ2 . LYS B 1 35 ? -16.427 8.799 3.968 1.00 0.00 ? 35 LYS B HZ2 5 ATOM 7010 H HZ3 . LYS B 1 35 ? -16.640 9.777 2.605 1.00 0.00 ? 35 LYS B HZ3 5 ATOM 7011 N N . GLN B 1 36 ? -19.385 6.054 -1.939 1.00 0.00 ? 36 GLN B N 5 ATOM 7012 C CA . GLN B 1 36 ? -19.982 7.184 -2.642 1.00 0.00 ? 36 GLN B CA 5 ATOM 7013 C C . GLN B 1 36 ? -21.314 6.787 -3.269 1.00 0.00 ? 36 GLN B C 5 ATOM 7014 O O . GLN B 1 36 ? -22.208 7.618 -3.430 1.00 0.00 ? 36 GLN B O 5 ATOM 7015 C CB . GLN B 1 36 ? -19.030 7.701 -3.720 1.00 0.00 ? 36 GLN B CB 5 ATOM 7016 C CG . GLN B 1 36 ? -19.620 8.816 -4.569 1.00 0.00 ? 36 GLN B CG 5 ATOM 7017 C CD . GLN B 1 36 ? -19.615 8.487 -6.049 1.00 0.00 ? 36 GLN B CD 5 ATOM 7018 O OE1 . GLN B 1 36 ? -18.740 7.769 -6.533 1.00 0.00 ? 36 GLN B OE1 5 ATOM 7019 N NE2 . GLN B 1 36 ? -20.593 9.012 -6.775 1.00 0.00 ? 36 GLN B NE2 5 ATOM 7020 H H . GLN B 1 36 ? -18.679 5.536 -2.380 1.00 0.00 ? 36 GLN B H 5 ATOM 7021 H HA . GLN B 1 36 ? -20.157 7.967 -1.920 1.00 0.00 ? 36 GLN B HA 5 ATOM 7022 H HB2 . GLN B 1 36 ? -18.135 8.076 -3.245 1.00 0.00 ? 36 GLN B HB2 5 ATOM 7023 H HB3 . GLN B 1 36 ? -18.764 6.883 -4.373 1.00 0.00 ? 36 GLN B HB3 5 ATOM 7024 H HG2 . GLN B 1 36 ? -20.640 8.986 -4.257 1.00 0.00 ? 36 GLN B HG2 5 ATOM 7025 H HG3 . GLN B 1 36 ? -19.042 9.715 -4.412 1.00 0.00 ? 36 GLN B HG3 5 ATOM 7026 H HE21 . GLN B 1 36 ? -21.256 9.575 -6.323 1.00 0.00 ? 36 GLN B HE21 5 ATOM 7027 H HE22 . GLN B 1 36 ? -20.614 8.815 -7.736 1.00 0.00 ? 36 GLN B HE22 5 ATOM 7028 N N . SER B 1 37 ? -21.440 5.511 -3.621 1.00 0.00 ? 37 SER B N 5 ATOM 7029 C CA . SER B 1 37 ? -22.663 5.003 -4.229 1.00 0.00 ? 37 SER B CA 5 ATOM 7030 C C . SER B 1 37 ? -23.729 4.744 -3.169 1.00 0.00 ? 37 SER B C 5 ATOM 7031 O O . SER B 1 37 ? -24.926 4.815 -3.449 1.00 0.00 ? 37 SER B O 5 ATOM 7032 C CB . SER B 1 37 ? -22.375 3.717 -5.005 1.00 0.00 ? 37 SER B CB 5 ATOM 7033 O OG . SER B 1 37 ? -23.331 3.515 -6.032 1.00 0.00 ? 37 SER B OG 5 ATOM 7034 H H . SER B 1 37 ? -20.692 4.897 -3.465 1.00 0.00 ? 37 SER B H 5 ATOM 7035 H HA . SER B 1 37 ? -23.028 5.753 -4.915 1.00 0.00 ? 37 SER B HA 5 ATOM 7036 H HB2 . SER B 1 37 ? -21.395 3.780 -5.453 1.00 0.00 ? 37 SER B HB2 5 ATOM 7037 H HB3 . SER B 1 37 ? -22.408 2.876 -4.329 1.00 0.00 ? 37 SER B HB3 5 ATOM 7038 H HG . SER B 1 37 ? -23.647 2.610 -6.001 1.00 0.00 ? 37 SER B HG 5 ATOM 7039 N N . GLU B 1 38 ? -23.285 4.443 -1.954 1.00 0.00 ? 38 GLU B N 5 ATOM 7040 C CA . GLU B 1 38 ? -24.202 4.175 -0.852 1.00 0.00 ? 38 GLU B CA 5 ATOM 7041 C C . GLU B 1 38 ? -24.776 5.473 -0.293 1.00 0.00 ? 38 GLU B C 5 ATOM 7042 O O . GLU B 1 38 ? -25.869 5.488 0.271 1.00 0.00 ? 38 GLU B O 5 ATOM 7043 C CB . GLU B 1 38 ? -23.486 3.401 0.257 1.00 0.00 ? 38 GLU B CB 5 ATOM 7044 C CG . GLU B 1 38 ? -24.161 2.087 0.614 1.00 0.00 ? 38 GLU B CG 5 ATOM 7045 C CD . GLU B 1 38 ? -24.261 1.870 2.111 1.00 0.00 ? 38 GLU B CD 5 ATOM 7046 O OE1 . GLU B 1 38 ? -24.173 2.864 2.862 1.00 0.00 ? 38 GLU B OE1 5 ATOM 7047 O OE2 . GLU B 1 38 ? -24.426 0.706 2.533 1.00 0.00 ? 38 GLU B OE2 5 ATOM 7048 H H . GLU B 1 38 ? -22.319 4.402 -1.793 1.00 0.00 ? 38 GLU B H 5 ATOM 7049 H HA . GLU B 1 38 ? -25.012 3.572 -1.234 1.00 0.00 ? 38 GLU B HA 5 ATOM 7050 H HB2 . GLU B 1 38 ? -22.477 3.189 -0.062 1.00 0.00 ? 38 GLU B HB2 5 ATOM 7051 H HB3 . GLU B 1 38 ? -23.452 4.016 1.145 1.00 0.00 ? 38 GLU B HB3 5 ATOM 7052 H HG2 . GLU B 1 38 ? -25.156 2.083 0.198 1.00 0.00 ? 38 GLU B HG2 5 ATOM 7053 H HG3 . GLU B 1 38 ? -23.589 1.276 0.185 1.00 0.00 ? 38 GLU B HG3 5 ATOM 7054 N N . ASP B 1 39 ? -24.031 6.561 -0.456 1.00 0.00 ? 39 ASP B N 5 ATOM 7055 C CA . ASP B 1 39 ? -24.465 7.865 0.030 1.00 0.00 ? 39 ASP B CA 5 ATOM 7056 C C . ASP B 1 39 ? -25.492 8.483 -0.913 1.00 0.00 ? 39 ASP B C 5 ATOM 7057 O O . ASP B 1 39 ? -26.312 9.305 -0.504 1.00 0.00 ? 39 ASP B O 5 ATOM 7058 C CB . ASP B 1 39 ? -23.266 8.803 0.183 1.00 0.00 ? 39 ASP B CB 5 ATOM 7059 C CG . ASP B 1 39 ? -22.556 8.621 1.511 1.00 0.00 ? 39 ASP B CG 5 ATOM 7060 O OD1 . ASP B 1 39 ? -23.246 8.567 2.551 1.00 0.00 ? 39 ASP B OD1 5 ATOM 7061 O OD2 . ASP B 1 39 ? -21.310 8.534 1.510 1.00 0.00 ? 39 ASP B OD2 5 ATOM 7062 H H . ASP B 1 39 ? -23.167 6.486 -0.916 1.00 0.00 ? 39 ASP B H 5 ATOM 7063 H HA . ASP B 1 39 ? -24.924 7.721 0.998 1.00 0.00 ? 39 ASP B HA 5 ATOM 7064 H HB2 . ASP B 1 39 ? -22.561 8.607 -0.610 1.00 0.00 ? 39 ASP B HB2 5 ATOM 7065 H HB3 . ASP B 1 39 ? -23.605 9.825 0.113 1.00 0.00 ? 39 ASP B HB3 5 ATOM 7066 N N . ASP B 1 40 ? -25.439 8.083 -2.180 1.00 0.00 ? 40 ASP B N 5 ATOM 7067 C CA . ASP B 1 40 ? -26.364 8.598 -3.183 1.00 0.00 ? 40 ASP B CA 5 ATOM 7068 C C . ASP B 1 40 ? -26.196 10.105 -3.356 1.00 0.00 ? 40 ASP B C 5 ATOM 7069 O O . ASP B 1 40 ? -27.107 10.878 -3.060 1.00 0.00 ? 40 ASP B O 5 ATOM 7070 C CB . ASP B 1 40 ? -27.807 8.276 -2.789 1.00 0.00 ? 40 ASP B CB 5 ATOM 7071 C CG . ASP B 1 40 ? -28.281 6.955 -3.364 1.00 0.00 ? 40 ASP B CG 5 ATOM 7072 O OD1 . ASP B 1 40 ? -27.756 5.903 -2.945 1.00 0.00 ? 40 ASP B OD1 5 ATOM 7073 O OD2 . ASP B 1 40 ? -29.176 6.974 -4.235 1.00 0.00 ? 40 ASP B OD2 5 ATOM 7074 H H . ASP B 1 40 ? -24.762 7.427 -2.446 1.00 0.00 ? 40 ASP B H 5 ATOM 7075 H HA . ASP B 1 40 ? -26.138 8.113 -4.121 1.00 0.00 ? 40 ASP B HA 5 ATOM 7076 H HB2 . ASP B 1 40 ? -27.877 8.224 -1.714 1.00 0.00 ? 40 ASP B HB2 5 ATOM 7077 H HB3 . ASP B 1 40 ? -28.455 9.060 -3.152 1.00 0.00 ? 40 ASP B HB3 5 ATOM 7078 N N . ASP B 1 41 ? -25.027 10.513 -3.837 1.00 0.00 ? 41 ASP B N 5 ATOM 7079 C CA . ASP B 1 41 ? -24.739 11.926 -4.050 1.00 0.00 ? 41 ASP B CA 5 ATOM 7080 C C . ASP B 1 41 ? -25.049 12.739 -2.797 1.00 0.00 ? 41 ASP B C 5 ATOM 7081 O O . ASP B 1 41 ? -25.244 12.126 -1.728 1.00 0.00 ? 41 ASP B O 5 ATOM 7082 C CB . ASP B 1 41 ? -25.550 12.460 -5.232 1.00 0.00 ? 41 ASP B CB 5 ATOM 7083 C CG . ASP B 1 41 ? -25.625 11.468 -6.377 1.00 0.00 ? 41 ASP B CG 5 ATOM 7084 O OD1 . ASP B 1 41 ? -24.618 11.322 -7.102 1.00 0.00 ? 41 ASP B OD1 5 ATOM 7085 O OD2 . ASP B 1 41 ? -26.689 10.840 -6.550 1.00 0.00 ? 41 ASP B OD2 5 ATOM 7086 O OXT . ASP B 1 41 ? -25.095 13.984 -2.898 1.00 0.00 ? 41 ASP B OXT 5 ATOM 7087 H H . ASP B 1 41 ? -24.341 9.847 -4.054 1.00 0.00 ? 41 ASP B H 5 ATOM 7088 H HA . ASP B 1 41 ? -23.688 12.020 -4.275 1.00 0.00 ? 41 ASP B HA 5 ATOM 7089 H HB2 . ASP B 1 41 ? -26.555 12.677 -4.904 1.00 0.00 ? 41 ASP B HB2 5 ATOM 7090 H HB3 . ASP B 1 41 ? -25.089 13.368 -5.596 1.00 0.00 ? 41 ASP B HB3 5 ATOM 7091 N N . ALA A 1 1 ? -32.787 -7.573 4.263 1.00 0.00 ? 1 ALA A N 6 ATOM 7092 C CA . ALA A 1 1 ? -31.679 -6.858 3.579 1.00 0.00 ? 1 ALA A CA 6 ATOM 7093 C C . ALA A 1 1 ? -30.833 -7.822 2.753 1.00 0.00 ? 1 ALA A C 6 ATOM 7094 O O . ALA A 1 1 ? -29.968 -8.516 3.286 1.00 0.00 ? 1 ALA A O 6 ATOM 7095 C CB . ALA A 1 1 ? -30.810 -6.134 4.597 1.00 0.00 ? 1 ALA A CB 6 ATOM 7096 H H1 . ALA A 1 1 ? -33.061 -8.378 3.664 1.00 0.00 ? 1 ALA A H1 6 ATOM 7097 H H2 . ALA A 1 1 ? -32.435 -7.894 5.187 1.00 0.00 ? 1 ALA A H2 6 ATOM 7098 H H3 . ALA A 1 1 ? -33.574 -6.903 4.375 1.00 0.00 ? 1 ALA A H3 6 ATOM 7099 H HA . ALA A 1 1 ? -32.107 -6.118 2.918 1.00 0.00 ? 1 ALA A HA 6 ATOM 7100 H HB1 . ALA A 1 1 ? -29.778 -6.420 4.458 1.00 0.00 ? 1 ALA A HB1 6 ATOM 7101 H HB2 . ALA A 1 1 ? -31.127 -6.402 5.594 1.00 0.00 ? 1 ALA A HB2 6 ATOM 7102 H HB3 . ALA A 1 1 ? -30.909 -5.067 4.461 1.00 0.00 ? 1 ALA A HB3 6 ATOM 7103 N N . LEU A 1 2 ? -31.090 -7.859 1.450 1.00 0.00 ? 2 LEU A N 6 ATOM 7104 C CA . LEU A 1 2 ? -30.352 -8.739 0.550 1.00 0.00 ? 2 LEU A CA 6 ATOM 7105 C C . LEU A 1 2 ? -28.993 -8.143 0.201 1.00 0.00 ? 2 LEU A C 6 ATOM 7106 O O . LEU A 1 2 ? -28.051 -8.867 -0.124 1.00 0.00 ? 2 LEU A O 6 ATOM 7107 C CB . LEU A 1 2 ? -31.157 -8.988 -0.726 1.00 0.00 ? 2 LEU A CB 6 ATOM 7108 C CG . LEU A 1 2 ? -30.749 -10.233 -1.517 1.00 0.00 ? 2 LEU A CG 6 ATOM 7109 C CD1 . LEU A 1 2 ? -31.958 -11.114 -1.785 1.00 0.00 ? 2 LEU A CD1 6 ATOM 7110 C CD2 . LEU A 1 2 ? -30.075 -9.835 -2.822 1.00 0.00 ? 2 LEU A CD2 6 ATOM 7111 H H . LEU A 1 2 ? -31.791 -7.282 1.084 1.00 0.00 ? 2 LEU A H 6 ATOM 7112 H HA . LEU A 1 2 ? -30.199 -9.679 1.058 1.00 0.00 ? 2 LEU A HA 6 ATOM 7113 H HB2 . LEU A 1 2 ? -32.198 -9.083 -0.457 1.00 0.00 ? 2 LEU A HB2 6 ATOM 7114 H HB3 . LEU A 1 2 ? -31.046 -8.128 -1.370 1.00 0.00 ? 2 LEU A HB3 6 ATOM 7115 H HG . LEU A 1 2 ? -30.041 -10.805 -0.934 1.00 0.00 ? 2 LEU A HG 6 ATOM 7116 H HD11 . LEU A 1 2 ? -32.650 -11.038 -0.960 1.00 0.00 ? 2 LEU A HD11 6 ATOM 7117 H HD12 . LEU A 1 2 ? -32.445 -10.791 -2.694 1.00 0.00 ? 2 LEU A HD12 6 ATOM 7118 H HD13 . LEU A 1 2 ? -31.638 -12.140 -1.893 1.00 0.00 ? 2 LEU A HD13 6 ATOM 7119 H HD21 . LEU A 1 2 ? -29.352 -9.057 -2.632 1.00 0.00 ? 2 LEU A HD21 6 ATOM 7120 H HD22 . LEU A 1 2 ? -29.575 -10.695 -3.245 1.00 0.00 ? 2 LEU A HD22 6 ATOM 7121 H HD23 . LEU A 1 2 ? -30.820 -9.475 -3.516 1.00 0.00 ? 2 LEU A HD23 6 ATOM 7122 N N . LYS A 1 3 ? -28.897 -6.819 0.268 1.00 0.00 ? 3 LYS A N 6 ATOM 7123 C CA . LYS A 1 3 ? -27.652 -6.126 -0.042 1.00 0.00 ? 3 LYS A CA 6 ATOM 7124 C C . LYS A 1 3 ? -26.852 -5.852 1.227 1.00 0.00 ? 3 LYS A C 6 ATOM 7125 O O . LYS A 1 3 ? -26.057 -4.913 1.282 1.00 0.00 ? 3 LYS A O 6 ATOM 7126 C CB . LYS A 1 3 ? -27.943 -4.811 -0.768 1.00 0.00 ? 3 LYS A CB 6 ATOM 7127 C CG . LYS A 1 3 ? -28.093 -4.968 -2.273 1.00 0.00 ? 3 LYS A CG 6 ATOM 7128 C CD . LYS A 1 3 ? -27.956 -3.635 -2.988 1.00 0.00 ? 3 LYS A CD 6 ATOM 7129 C CE . LYS A 1 3 ? -28.665 -3.648 -4.333 1.00 0.00 ? 3 LYS A CE 6 ATOM 7130 N NZ . LYS A 1 3 ? -27.774 -4.122 -5.426 1.00 0.00 ? 3 LYS A NZ 6 ATOM 7131 H H . LYS A 1 3 ? -29.683 -6.296 0.532 1.00 0.00 ? 3 LYS A H 6 ATOM 7132 H HA . LYS A 1 3 ? -27.070 -6.764 -0.689 1.00 0.00 ? 3 LYS A HA 6 ATOM 7133 H HB2 . LYS A 1 3 ? -28.860 -4.393 -0.378 1.00 0.00 ? 3 LYS A HB2 6 ATOM 7134 H HB3 . LYS A 1 3 ? -27.134 -4.122 -0.579 1.00 0.00 ? 3 LYS A HB3 6 ATOM 7135 H HG2 . LYS A 1 3 ? -27.328 -5.639 -2.633 1.00 0.00 ? 3 LYS A HG2 6 ATOM 7136 H HG3 . LYS A 1 3 ? -29.068 -5.383 -2.486 1.00 0.00 ? 3 LYS A HG3 6 ATOM 7137 H HD2 . LYS A 1 3 ? -28.388 -2.860 -2.373 1.00 0.00 ? 3 LYS A HD2 6 ATOM 7138 H HD3 . LYS A 1 3 ? -26.908 -3.428 -3.147 1.00 0.00 ? 3 LYS A HD3 6 ATOM 7139 H HE2 . LYS A 1 3 ? -29.520 -4.304 -4.267 1.00 0.00 ? 3 LYS A HE2 6 ATOM 7140 H HE3 . LYS A 1 3 ? -28.998 -2.646 -4.559 1.00 0.00 ? 3 LYS A HE3 6 ATOM 7141 H HZ1 . LYS A 1 3 ? -26.919 -3.532 -5.471 1.00 0.00 ? 3 LYS A HZ1 6 ATOM 7142 H HZ2 . LYS A 1 3 ? -27.493 -5.109 -5.257 1.00 0.00 ? 3 LYS A HZ2 6 ATOM 7143 H HZ3 . LYS A 1 3 ? -28.267 -4.066 -6.340 1.00 0.00 ? 3 LYS A HZ3 6 ATOM 7144 N N . LYS A 1 4 ? -27.067 -6.678 2.246 1.00 0.00 ? 4 LYS A N 6 ATOM 7145 C CA . LYS A 1 4 ? -26.365 -6.525 3.516 1.00 0.00 ? 4 LYS A CA 6 ATOM 7146 C C . LYS A 1 4 ? -24.892 -6.896 3.371 1.00 0.00 ? 4 LYS A C 6 ATOM 7147 O O . LYS A 1 4 ? -24.021 -6.264 3.968 1.00 0.00 ? 4 LYS A O 6 ATOM 7148 C CB . LYS A 1 4 ? -27.018 -7.395 4.591 1.00 0.00 ? 4 LYS A CB 6 ATOM 7149 C CG . LYS A 1 4 ? -26.973 -6.780 5.981 1.00 0.00 ? 4 LYS A CG 6 ATOM 7150 C CD . LYS A 1 4 ? -26.118 -7.607 6.927 1.00 0.00 ? 4 LYS A CD 6 ATOM 7151 C CE . LYS A 1 4 ? -25.082 -6.749 7.635 1.00 0.00 ? 4 LYS A CE 6 ATOM 7152 N NZ . LYS A 1 4 ? -25.516 -6.374 9.009 1.00 0.00 ? 4 LYS A NZ 6 ATOM 7153 H H . LYS A 1 4 ? -27.712 -7.408 2.141 1.00 0.00 ? 4 LYS A H 6 ATOM 7154 H HA . LYS A 1 4 ? -26.435 -5.489 3.810 1.00 0.00 ? 4 LYS A HA 6 ATOM 7155 H HB2 . LYS A 1 4 ? -28.052 -7.557 4.326 1.00 0.00 ? 4 LYS A HB2 6 ATOM 7156 H HB3 . LYS A 1 4 ? -26.510 -8.347 4.626 1.00 0.00 ? 4 LYS A HB3 6 ATOM 7157 H HG2 . LYS A 1 4 ? -26.557 -5.787 5.911 1.00 0.00 ? 4 LYS A HG2 6 ATOM 7158 H HG3 . LYS A 1 4 ? -27.978 -6.725 6.372 1.00 0.00 ? 4 LYS A HG3 6 ATOM 7159 H HD2 . LYS A 1 4 ? -26.757 -8.065 7.667 1.00 0.00 ? 4 LYS A HD2 6 ATOM 7160 H HD3 . LYS A 1 4 ? -25.611 -8.374 6.361 1.00 0.00 ? 4 LYS A HD3 6 ATOM 7161 H HE2 . LYS A 1 4 ? -24.157 -7.302 7.698 1.00 0.00 ? 4 LYS A HE2 6 ATOM 7162 H HE3 . LYS A 1 4 ? -24.924 -5.849 7.059 1.00 0.00 ? 4 LYS A HE3 6 ATOM 7163 H HZ1 . LYS A 1 4 ? -26.333 -6.952 9.295 1.00 0.00 ? 4 LYS A HZ1 6 ATOM 7164 H HZ2 . LYS A 1 4 ? -24.740 -6.531 9.685 1.00 0.00 ? 4 LYS A HZ2 6 ATOM 7165 H HZ3 . LYS A 1 4 ? -25.788 -5.371 9.038 1.00 0.00 ? 4 LYS A HZ3 6 ATOM 7166 N N . HIS A 1 5 ? -24.622 -7.924 2.573 1.00 0.00 ? 5 HIS A N 6 ATOM 7167 C CA . HIS A 1 5 ? -23.255 -8.379 2.351 1.00 0.00 ? 5 HIS A CA 6 ATOM 7168 C C . HIS A 1 5 ? -22.376 -7.238 1.850 1.00 0.00 ? 5 HIS A C 6 ATOM 7169 O O . HIS A 1 5 ? -21.167 -7.223 2.082 1.00 0.00 ? 5 HIS A O 6 ATOM 7170 C CB . HIS A 1 5 ? -23.236 -9.532 1.346 1.00 0.00 ? 5 HIS A CB 6 ATOM 7171 C CG . HIS A 1 5 ? -23.603 -9.118 -0.046 1.00 0.00 ? 5 HIS A CG 6 ATOM 7172 N ND1 . HIS A 1 5 ? -22.873 -9.484 -1.158 1.00 0.00 ? 5 HIS A ND1 6 ATOM 7173 C CD2 . HIS A 1 5 ? -24.632 -8.366 -0.504 1.00 0.00 ? 5 HIS A CD2 6 ATOM 7174 C CE1 . HIS A 1 5 ? -23.435 -8.974 -2.239 1.00 0.00 ? 5 HIS A CE1 6 ATOM 7175 N NE2 . HIS A 1 5 ? -24.504 -8.293 -1.870 1.00 0.00 ? 5 HIS A NE2 6 ATOM 7176 H H . HIS A 1 5 ? -25.359 -8.388 2.125 1.00 0.00 ? 5 HIS A H 6 ATOM 7177 H HA . HIS A 1 5 ? -22.864 -8.730 3.294 1.00 0.00 ? 5 HIS A HA 6 ATOM 7178 H HB2 . HIS A 1 5 ? -22.244 -9.957 1.314 1.00 0.00 ? 5 HIS A HB2 6 ATOM 7179 H HB3 . HIS A 1 5 ? -23.937 -10.289 1.664 1.00 0.00 ? 5 HIS A HB3 6 ATOM 7180 H HD1 . HIS A 1 5 ? -22.062 -10.034 -1.154 1.00 0.00 ? 5 HIS A HD1 6 ATOM 7181 H HD2 . HIS A 1 5 ? -25.409 -7.910 0.092 1.00 0.00 ? 5 HIS A HD2 6 ATOM 7182 H HE1 . HIS A 1 5 ? -23.082 -9.094 -3.253 1.00 0.00 ? 5 HIS A HE1 6 ATOM 7183 H HE2 . HIS A 1 5 ? -25.107 -7.813 -2.475 1.00 0.00 ? 5 HIS A HE2 6 ATOM 7184 N N . HIS A 1 6 ? -22.993 -6.282 1.162 1.00 0.00 ? 6 HIS A N 6 ATOM 7185 C CA . HIS A 1 6 ? -22.266 -5.135 0.628 1.00 0.00 ? 6 HIS A CA 6 ATOM 7186 C C . HIS A 1 6 ? -21.575 -4.362 1.745 1.00 0.00 ? 6 HIS A C 6 ATOM 7187 O O . HIS A 1 6 ? -20.414 -3.976 1.619 1.00 0.00 ? 6 HIS A O 6 ATOM 7188 C CB . HIS A 1 6 ? -23.218 -4.212 -0.136 1.00 0.00 ? 6 HIS A CB 6 ATOM 7189 C CG . HIS A 1 6 ? -23.152 -4.380 -1.622 1.00 0.00 ? 6 HIS A CG 6 ATOM 7190 N ND1 . HIS A 1 6 ? -22.771 -5.558 -2.231 1.00 0.00 ? 6 HIS A ND1 6 ATOM 7191 C CD2 . HIS A 1 6 ? -23.423 -3.511 -2.624 1.00 0.00 ? 6 HIS A CD2 6 ATOM 7192 C CE1 . HIS A 1 6 ? -22.809 -5.405 -3.542 1.00 0.00 ? 6 HIS A CE1 6 ATOM 7193 N NE2 . HIS A 1 6 ? -23.202 -4.173 -3.806 1.00 0.00 ? 6 HIS A NE2 6 ATOM 7194 H H . HIS A 1 6 ? -23.958 -6.349 1.010 1.00 0.00 ? 6 HIS A H 6 ATOM 7195 H HA . HIS A 1 6 ? -21.516 -5.506 -0.054 1.00 0.00 ? 6 HIS A HA 6 ATOM 7196 H HB2 . HIS A 1 6 ? -24.231 -4.414 0.176 1.00 0.00 ? 6 HIS A HB2 6 ATOM 7197 H HB3 . HIS A 1 6 ? -22.974 -3.185 0.095 1.00 0.00 ? 6 HIS A HB3 6 ATOM 7198 H HD1 . HIS A 1 6 ? -22.510 -6.382 -1.770 1.00 0.00 ? 6 HIS A HD1 6 ATOM 7199 H HD2 . HIS A 1 6 ? -23.753 -2.488 -2.514 1.00 0.00 ? 6 HIS A HD2 6 ATOM 7200 H HE1 . HIS A 1 6 ? -22.561 -6.160 -4.274 1.00 0.00 ? 6 HIS A HE1 6 ATOM 7201 H HE2 . HIS A 1 6 ? -23.317 -3.795 -4.704 1.00 0.00 ? 6 HIS A HE2 6 ATOM 7202 N N . GLU A 1 7 ? -22.295 -4.139 2.840 1.00 0.00 ? 7 GLU A N 6 ATOM 7203 C CA . GLU A 1 7 ? -21.747 -3.413 3.979 1.00 0.00 ? 7 GLU A CA 6 ATOM 7204 C C . GLU A 1 7 ? -20.494 -4.104 4.504 1.00 0.00 ? 7 GLU A C 6 ATOM 7205 O O . GLU A 1 7 ? -19.619 -3.465 5.089 1.00 0.00 ? 7 GLU A O 6 ATOM 7206 C CB . GLU A 1 7 ? -22.789 -3.300 5.093 1.00 0.00 ? 7 GLU A CB 6 ATOM 7207 C CG . GLU A 1 7 ? -22.775 -1.957 5.804 1.00 0.00 ? 7 GLU A CG 6 ATOM 7208 C CD . GLU A 1 7 ? -21.611 -1.818 6.765 1.00 0.00 ? 7 GLU A CD 6 ATOM 7209 O OE1 . GLU A 1 7 ? -21.124 -2.857 7.262 1.00 0.00 ? 7 GLU A OE1 6 ATOM 7210 O OE2 . GLU A 1 7 ? -21.183 -0.672 7.020 1.00 0.00 ? 7 GLU A OE2 6 ATOM 7211 H H . GLU A 1 7 ? -23.217 -4.472 2.883 1.00 0.00 ? 7 GLU A H 6 ATOM 7212 H HA . GLU A 1 7 ? -21.481 -2.422 3.642 1.00 0.00 ? 7 GLU A HA 6 ATOM 7213 H HB2 . GLU A 1 7 ? -23.770 -3.447 4.667 1.00 0.00 ? 7 GLU A HB2 6 ATOM 7214 H HB3 . GLU A 1 7 ? -22.603 -4.073 5.824 1.00 0.00 ? 7 GLU A HB3 6 ATOM 7215 H HG2 . GLU A 1 7 ? -22.707 -1.172 5.066 1.00 0.00 ? 7 GLU A HG2 6 ATOM 7216 H HG3 . GLU A 1 7 ? -23.695 -1.848 6.360 1.00 0.00 ? 7 GLU A HG3 6 ATOM 7217 N N . ASN A 1 8 ? -20.411 -5.411 4.283 1.00 0.00 ? 8 ASN A N 6 ATOM 7218 C CA . ASN A 1 8 ? -19.260 -6.188 4.726 1.00 0.00 ? 8 ASN A CA 6 ATOM 7219 C C . ASN A 1 8 ? -18.043 -5.857 3.875 1.00 0.00 ? 8 ASN A C 6 ATOM 7220 O O . ASN A 1 8 ? -17.022 -5.393 4.384 1.00 0.00 ? 8 ASN A O 6 ATOM 7221 C CB . ASN A 1 8 ? -19.563 -7.686 4.651 1.00 0.00 ? 8 ASN A CB 6 ATOM 7222 C CG . ASN A 1 8 ? -20.806 -8.063 5.431 1.00 0.00 ? 8 ASN A CG 6 ATOM 7223 O OD1 . ASN A 1 8 ? -21.856 -7.435 5.293 1.00 0.00 ? 8 ASN A OD1 6 ATOM 7224 N ND2 . ASN A 1 8 ? -20.695 -9.096 6.260 1.00 0.00 ? 8 ASN A ND2 6 ATOM 7225 H H . ASN A 1 8 ? -21.138 -5.862 3.805 1.00 0.00 ? 8 ASN A H 6 ATOM 7226 H HA . ASN A 1 8 ? -19.051 -5.918 5.751 1.00 0.00 ? 8 ASN A HA 6 ATOM 7227 H HB2 . ASN A 1 8 ? -19.711 -7.966 3.619 1.00 0.00 ? 8 ASN A HB2 6 ATOM 7228 H HB3 . ASN A 1 8 ? -18.726 -8.237 5.053 1.00 0.00 ? 8 ASN A HB3 6 ATOM 7229 H HD21 . ASN A 1 8 ? -19.828 -9.549 6.319 1.00 0.00 ? 8 ASN A HD21 6 ATOM 7230 H HD22 . ASN A 1 8 ? -21.483 -9.362 6.777 1.00 0.00 ? 8 ASN A HD22 6 ATOM 7231 N N . GLU A 1 9 ? -18.165 -6.078 2.570 1.00 0.00 ? 9 GLU A N 6 ATOM 7232 C CA . GLU A 1 9 ? -17.079 -5.782 1.647 1.00 0.00 ? 9 GLU A CA 6 ATOM 7233 C C . GLU A 1 9 ? -16.669 -4.315 1.762 1.00 0.00 ? 9 GLU A C 6 ATOM 7234 O O . GLU A 1 9 ? -15.559 -3.939 1.389 1.00 0.00 ? 9 GLU A O 6 ATOM 7235 C CB . GLU A 1 9 ? -17.499 -6.097 0.210 1.00 0.00 ? 9 GLU A CB 6 ATOM 7236 C CG . GLU A 1 9 ? -16.629 -7.144 -0.464 1.00 0.00 ? 9 GLU A CG 6 ATOM 7237 C CD . GLU A 1 9 ? -16.819 -7.179 -1.968 1.00 0.00 ? 9 GLU A CD 6 ATOM 7238 O OE1 . GLU A 1 9 ? -16.904 -6.094 -2.581 1.00 0.00 ? 9 GLU A OE1 6 ATOM 7239 O OE2 . GLU A 1 9 ? -16.885 -8.291 -2.532 1.00 0.00 ? 9 GLU A OE2 6 ATOM 7240 H H . GLU A 1 9 ? -19.007 -6.435 2.220 1.00 0.00 ? 9 GLU A H 6 ATOM 7241 H HA . GLU A 1 9 ? -16.235 -6.402 1.912 1.00 0.00 ? 9 GLU A HA 6 ATOM 7242 H HB2 . GLU A 1 9 ? -18.518 -6.455 0.217 1.00 0.00 ? 9 GLU A HB2 6 ATOM 7243 H HB3 . GLU A 1 9 ? -17.452 -5.189 -0.374 1.00 0.00 ? 9 GLU A HB3 6 ATOM 7244 H HG2 . GLU A 1 9 ? -15.593 -6.922 -0.254 1.00 0.00 ? 9 GLU A HG2 6 ATOM 7245 H HG3 . GLU A 1 9 ? -16.879 -8.114 -0.061 1.00 0.00 ? 9 GLU A HG3 6 ATOM 7246 N N . ILE A 1 10 ? -17.579 -3.491 2.283 1.00 0.00 ? 10 ILE A N 6 ATOM 7247 C CA . ILE A 1 10 ? -17.321 -2.069 2.452 1.00 0.00 ? 10 ILE A CA 6 ATOM 7248 C C . ILE A 1 10 ? -16.300 -1.836 3.571 1.00 0.00 ? 10 ILE A C 6 ATOM 7249 O O . ILE A 1 10 ? -15.295 -1.152 3.378 1.00 0.00 ? 10 ILE A O 6 ATOM 7250 C CB . ILE A 1 10 ? -18.662 -1.304 2.711 1.00 0.00 ? 10 ILE A CB 6 ATOM 7251 C CG1 . ILE A 1 10 ? -18.868 -0.230 1.645 1.00 0.00 ? 10 ILE A CG1 6 ATOM 7252 C CG2 . ILE A 1 10 ? -18.757 -0.686 4.109 1.00 0.00 ? 10 ILE A CG2 6 ATOM 7253 C CD1 . ILE A 1 10 ? -20.270 -0.217 1.075 1.00 0.00 ? 10 ILE A CD1 6 ATOM 7254 H H . ILE A 1 10 ? -18.447 -3.849 2.561 1.00 0.00 ? 10 ILE A H 6 ATOM 7255 H HA . ILE A 1 10 ? -16.900 -1.705 1.526 1.00 0.00 ? 10 ILE A HA 6 ATOM 7256 H HB . ILE A 1 10 ? -19.464 -2.022 2.624 1.00 0.00 ? 10 ILE A HB 6 ATOM 7257 H HG12 . ILE A 1 10 ? -18.675 0.740 2.077 1.00 0.00 ? 10 ILE A HG12 6 ATOM 7258 H HG13 . ILE A 1 10 ? -18.179 -0.403 0.830 1.00 0.00 ? 10 ILE A HG13 6 ATOM 7259 H HG21 . ILE A 1 10 ? -18.675 -1.464 4.853 1.00 0.00 ? 10 ILE A HG21 6 ATOM 7260 H HG22 . ILE A 1 10 ? -17.955 0.025 4.243 1.00 0.00 ? 10 ILE A HG22 6 ATOM 7261 H HG23 . ILE A 1 10 ? -19.707 -0.184 4.216 1.00 0.00 ? 10 ILE A HG23 6 ATOM 7262 H HD11 . ILE A 1 10 ? -20.766 -1.145 1.321 1.00 0.00 ? 10 ILE A HD11 6 ATOM 7263 H HD12 . ILE A 1 10 ? -20.822 0.610 1.498 1.00 0.00 ? 10 ILE A HD12 6 ATOM 7264 H HD13 . ILE A 1 10 ? -20.223 -0.108 0.002 1.00 0.00 ? 10 ILE A HD13 6 ATOM 7265 N N . SER A 1 11 ? -16.573 -2.410 4.739 1.00 0.00 ? 11 SER A N 6 ATOM 7266 C CA . SER A 1 11 ? -15.686 -2.266 5.886 1.00 0.00 ? 11 SER A CA 6 ATOM 7267 C C . SER A 1 11 ? -14.325 -2.895 5.608 1.00 0.00 ? 11 SER A C 6 ATOM 7268 O O . SER A 1 11 ? -13.323 -2.526 6.222 1.00 0.00 ? 11 SER A O 6 ATOM 7269 C CB . SER A 1 11 ? -16.313 -2.907 7.126 1.00 0.00 ? 11 SER A CB 6 ATOM 7270 O OG . SER A 1 11 ? -16.461 -1.962 8.171 1.00 0.00 ? 11 SER A OG 6 ATOM 7271 H H . SER A 1 11 ? -17.391 -2.943 4.831 1.00 0.00 ? 11 SER A H 6 ATOM 7272 H HA . SER A 1 11 ? -15.550 -1.210 6.069 1.00 0.00 ? 11 SER A HA 6 ATOM 7273 H HB2 . SER A 1 11 ? -17.287 -3.300 6.871 1.00 0.00 ? 11 SER A HB2 6 ATOM 7274 H HB3 . SER A 1 11 ? -15.680 -3.712 7.471 1.00 0.00 ? 11 SER A HB3 6 ATOM 7275 H HG . SER A 1 11 ? -16.757 -1.125 7.805 1.00 0.00 ? 11 SER A HG 6 ATOM 7276 N N . HIS A 1 12 ? -14.293 -3.847 4.681 1.00 0.00 ? 12 HIS A N 6 ATOM 7277 C CA . HIS A 1 12 ? -13.053 -4.523 4.329 1.00 0.00 ? 12 HIS A CA 6 ATOM 7278 C C . HIS A 1 12 ? -12.186 -3.620 3.444 1.00 0.00 ? 12 HIS A C 6 ATOM 7279 O O . HIS A 1 12 ? -10.983 -3.495 3.669 1.00 0.00 ? 12 HIS A O 6 ATOM 7280 C CB . HIS A 1 12 ? -13.373 -5.885 3.667 1.00 0.00 ? 12 HIS A CB 6 ATOM 7281 C CG . HIS A 1 12 ? -12.661 -6.174 2.376 1.00 0.00 ? 12 HIS A CG 6 ATOM 7282 N ND1 . HIS A 1 12 ? -11.323 -6.500 2.306 1.00 0.00 ? 12 HIS A ND1 6 ATOM 7283 C CD2 . HIS A 1 12 ? -13.117 -6.185 1.103 1.00 0.00 ? 12 HIS A CD2 6 ATOM 7284 C CE1 . HIS A 1 12 ? -10.986 -6.699 1.044 1.00 0.00 ? 12 HIS A CE1 6 ATOM 7285 N NE2 . HIS A 1 12 ? -12.058 -6.515 0.294 1.00 0.00 ? 12 HIS A NE2 6 ATOM 7286 H H . HIS A 1 12 ? -15.122 -4.101 4.222 1.00 0.00 ? 12 HIS A H 6 ATOM 7287 H HA . HIS A 1 12 ? -12.516 -4.703 5.249 1.00 0.00 ? 12 HIS A HA 6 ATOM 7288 H HB2 . HIS A 1 12 ? -13.114 -6.672 4.358 1.00 0.00 ? 12 HIS A HB2 6 ATOM 7289 H HB3 . HIS A 1 12 ? -14.436 -5.930 3.474 1.00 0.00 ? 12 HIS A HB3 6 ATOM 7290 H HD1 . HIS A 1 12 ? -10.710 -6.574 3.068 1.00 0.00 ? 12 HIS A HD1 6 ATOM 7291 H HD2 . HIS A 1 12 ? -14.127 -5.972 0.784 1.00 0.00 ? 12 HIS A HD2 6 ATOM 7292 H HE1 . HIS A 1 12 ? -10.003 -6.968 0.686 1.00 0.00 ? 12 HIS A HE1 6 ATOM 7293 H HE2 . HIS A 1 12 ? -12.088 -6.601 -0.681 1.00 0.00 ? 12 HIS A HE2 6 ATOM 7294 N N . HIS A 1 13 ? -12.802 -2.987 2.448 1.00 0.00 ? 13 HIS A N 6 ATOM 7295 C CA . HIS A 1 13 ? -12.066 -2.095 1.561 1.00 0.00 ? 13 HIS A CA 6 ATOM 7296 C C . HIS A 1 13 ? -11.536 -0.898 2.338 1.00 0.00 ? 13 HIS A C 6 ATOM 7297 O O . HIS A 1 13 ? -10.535 -0.293 1.958 1.00 0.00 ? 13 HIS A O 6 ATOM 7298 C CB . HIS A 1 13 ? -12.949 -1.600 0.417 1.00 0.00 ? 13 HIS A CB 6 ATOM 7299 C CG . HIS A 1 13 ? -13.627 -2.684 -0.353 1.00 0.00 ? 13 HIS A CG 6 ATOM 7300 N ND1 . HIS A 1 13 ? -13.091 -3.942 -0.530 1.00 0.00 ? 13 HIS A ND1 6 ATOM 7301 C CD2 . HIS A 1 13 ? -14.809 -2.684 -1.007 1.00 0.00 ? 13 HIS A CD2 6 ATOM 7302 C CE1 . HIS A 1 13 ? -13.918 -4.670 -1.263 1.00 0.00 ? 13 HIS A CE1 6 ATOM 7303 N NE2 . HIS A 1 13 ? -14.968 -3.928 -1.563 1.00 0.00 ? 13 HIS A NE2 6 ATOM 7304 H H . HIS A 1 13 ? -13.765 -3.112 2.317 1.00 0.00 ? 13 HIS A H 6 ATOM 7305 H HA . HIS A 1 13 ? -11.231 -2.644 1.151 1.00 0.00 ? 13 HIS A HA 6 ATOM 7306 H HB2 . HIS A 1 13 ? -13.715 -0.958 0.821 1.00 0.00 ? 13 HIS A HB2 6 ATOM 7307 H HB3 . HIS A 1 13 ? -12.343 -1.033 -0.273 1.00 0.00 ? 13 HIS A HB3 6 ATOM 7308 H HD1 . HIS A 1 13 ? -12.235 -4.256 -0.173 1.00 0.00 ? 13 HIS A HD1 6 ATOM 7309 H HD2 . HIS A 1 13 ? -15.497 -1.853 -1.078 1.00 0.00 ? 13 HIS A HD2 6 ATOM 7310 H HE1 . HIS A 1 13 ? -13.761 -5.695 -1.562 1.00 0.00 ? 13 HIS A HE1 6 ATOM 7311 H HE2 . HIS A 1 13 ? -15.734 -4.222 -2.098 1.00 0.00 ? 13 HIS A HE2 6 ATOM 7312 N N . ALA A 1 14 ? -12.218 -0.559 3.429 1.00 0.00 ? 14 ALA A N 6 ATOM 7313 C CA . ALA A 1 14 ? -11.817 0.565 4.264 1.00 0.00 ? 14 ALA A CA 6 ATOM 7314 C C . ALA A 1 14 ? -10.527 0.243 5.001 1.00 0.00 ? 14 ALA A C 6 ATOM 7315 O O . ALA A 1 14 ? -9.540 0.970 4.895 1.00 0.00 ? 14 ALA A O 6 ATOM 7316 C CB . ALA A 1 14 ? -12.922 0.915 5.250 1.00 0.00 ? 14 ALA A CB 6 ATOM 7317 H H . ALA A 1 14 ? -13.011 -1.080 3.679 1.00 0.00 ? 14 ALA A H 6 ATOM 7318 H HA . ALA A 1 14 ? -11.652 1.418 3.621 1.00 0.00 ? 14 ALA A HA 6 ATOM 7319 H HB1 . ALA A 1 14 ? -13.879 0.872 4.750 1.00 0.00 ? 14 ALA A HB1 6 ATOM 7320 H HB2 . ALA A 1 14 ? -12.761 1.913 5.630 1.00 0.00 ? 14 ALA A HB2 6 ATOM 7321 H HB3 . ALA A 1 14 ? -12.911 0.212 6.068 1.00 0.00 ? 14 ALA A HB3 6 ATOM 7322 N N . LYS A 1 15 ? -10.537 -0.864 5.735 1.00 0.00 ? 15 LYS A N 6 ATOM 7323 C CA . LYS A 1 15 ? -9.359 -1.293 6.472 1.00 0.00 ? 15 LYS A CA 6 ATOM 7324 C C . LYS A 1 15 ? -8.253 -1.730 5.511 1.00 0.00 ? 15 LYS A C 6 ATOM 7325 O O . LYS A 1 15 ? -7.097 -1.871 5.909 1.00 0.00 ? 15 LYS A O 6 ATOM 7326 C CB . LYS A 1 15 ? -9.713 -2.441 7.419 1.00 0.00 ? 15 LYS A CB 6 ATOM 7327 C CG . LYS A 1 15 ? -9.707 -2.041 8.886 1.00 0.00 ? 15 LYS A CG 6 ATOM 7328 C CD . LYS A 1 15 ? -10.707 -2.859 9.689 1.00 0.00 ? 15 LYS A CD 6 ATOM 7329 C CE . LYS A 1 15 ? -11.069 -2.169 10.994 1.00 0.00 ? 15 LYS A CE 6 ATOM 7330 N NZ . LYS A 1 15 ? -12.276 -1.309 10.852 1.00 0.00 ? 15 LYS A NZ 6 ATOM 7331 H H . LYS A 1 15 ? -11.351 -1.412 5.769 1.00 0.00 ? 15 LYS A H 6 ATOM 7332 H HA . LYS A 1 15 ? -9.005 -0.453 7.052 1.00 0.00 ? 15 LYS A HA 6 ATOM 7333 H HB2 . LYS A 1 15 ? -10.698 -2.806 7.171 1.00 0.00 ? 15 LYS A HB2 6 ATOM 7334 H HB3 . LYS A 1 15 ? -8.998 -3.239 7.283 1.00 0.00 ? 15 LYS A HB3 6 ATOM 7335 H HG2 . LYS A 1 15 ? -8.719 -2.203 9.290 1.00 0.00 ? 15 LYS A HG2 6 ATOM 7336 H HG3 . LYS A 1 15 ? -9.965 -0.996 8.966 1.00 0.00 ? 15 LYS A HG3 6 ATOM 7337 H HD2 . LYS A 1 15 ? -11.604 -2.991 9.102 1.00 0.00 ? 15 LYS A HD2 6 ATOM 7338 H HD3 . LYS A 1 15 ? -10.273 -3.824 9.909 1.00 0.00 ? 15 LYS A HD3 6 ATOM 7339 H HE2 . LYS A 1 15 ? -11.261 -2.924 11.743 1.00 0.00 ? 15 LYS A HE2 6 ATOM 7340 H HE3 . LYS A 1 15 ? -10.235 -1.557 11.306 1.00 0.00 ? 15 LYS A HE3 6 ATOM 7341 H HZ1 . LYS A 1 15 ? -12.747 -1.503 9.945 1.00 0.00 ? 15 LYS A HZ1 6 ATOM 7342 H HZ2 . LYS A 1 15 ? -12.944 -1.501 11.625 1.00 0.00 ? 15 LYS A HZ2 6 ATOM 7343 H HZ3 . LYS A 1 15 ? -12.005 -0.306 10.883 1.00 0.00 ? 15 LYS A HZ3 6 ATOM 7344 N N . GLU A 1 16 ? -8.614 -1.944 4.244 1.00 0.00 ? 16 GLU A N 6 ATOM 7345 C CA . GLU A 1 16 ? -7.651 -2.363 3.238 1.00 0.00 ? 16 GLU A CA 6 ATOM 7346 C C . GLU A 1 16 ? -6.919 -1.164 2.645 1.00 0.00 ? 16 GLU A C 6 ATOM 7347 O O . GLU A 1 16 ? -5.738 -1.256 2.317 1.00 0.00 ? 16 GLU A O 6 ATOM 7348 C CB . GLU A 1 16 ? -8.348 -3.152 2.128 1.00 0.00 ? 16 GLU A CB 6 ATOM 7349 C CG . GLU A 1 16 ? -8.475 -4.637 2.425 1.00 0.00 ? 16 GLU A CG 6 ATOM 7350 C CD . GLU A 1 16 ? -7.133 -5.299 2.672 1.00 0.00 ? 16 GLU A CD 6 ATOM 7351 O OE1 . GLU A 1 16 ? -6.686 -5.317 3.837 1.00 0.00 ? 16 GLU A OE1 6 ATOM 7352 O OE2 . GLU A 1 16 ? -6.530 -5.797 1.699 1.00 0.00 ? 16 GLU A OE2 6 ATOM 7353 H H . GLU A 1 16 ? -9.549 -1.819 3.981 1.00 0.00 ? 16 GLU A H 6 ATOM 7354 H HA . GLU A 1 16 ? -6.928 -3.002 3.722 1.00 0.00 ? 16 GLU A HA 6 ATOM 7355 H HB2 . GLU A 1 16 ? -9.340 -2.749 1.985 1.00 0.00 ? 16 GLU A HB2 6 ATOM 7356 H HB3 . GLU A 1 16 ? -7.787 -3.036 1.213 1.00 0.00 ? 16 GLU A HB3 6 ATOM 7357 H HG2 . GLU A 1 16 ? -9.088 -4.764 3.305 1.00 0.00 ? 16 GLU A HG2 6 ATOM 7358 H HG3 . GLU A 1 16 ? -8.949 -5.120 1.583 1.00 0.00 ? 16 GLU A HG3 6 ATOM 7359 N N . ILE A 1 17 ? -7.618 -0.039 2.512 1.00 0.00 ? 17 ILE A N 6 ATOM 7360 C CA . ILE A 1 17 ? -7.004 1.165 1.963 1.00 0.00 ? 17 ILE A CA 6 ATOM 7361 C C . ILE A 1 17 ? -6.146 1.851 3.019 1.00 0.00 ? 17 ILE A C 6 ATOM 7362 O O . ILE A 1 17 ? -5.103 2.428 2.708 1.00 0.00 ? 17 ILE A O 6 ATOM 7363 C CB . ILE A 1 17 ? -8.066 2.150 1.429 1.00 0.00 ? 17 ILE A CB 6 ATOM 7364 C CG1 . ILE A 1 17 ? -7.402 3.434 0.910 1.00 0.00 ? 17 ILE A CG1 6 ATOM 7365 C CG2 . ILE A 1 17 ? -9.098 2.461 2.505 1.00 0.00 ? 17 ILE A CG2 6 ATOM 7366 C CD1 . ILE A 1 17 ? -7.033 4.428 1.994 1.00 0.00 ? 17 ILE A CD1 6 ATOM 7367 H H . ILE A 1 17 ? -8.561 -0.016 2.793 1.00 0.00 ? 17 ILE A H 6 ATOM 7368 H HA . ILE A 1 17 ? -6.368 0.870 1.140 1.00 0.00 ? 17 ILE A HA 6 ATOM 7369 H HB . ILE A 1 17 ? -8.579 1.669 0.609 1.00 0.00 ? 17 ILE A HB 6 ATOM 7370 H HG12 . ILE A 1 17 ? -6.497 3.174 0.383 1.00 0.00 ? 17 ILE A HG12 6 ATOM 7371 H HG13 . ILE A 1 17 ? -8.079 3.927 0.226 1.00 0.00 ? 17 ILE A HG13 6 ATOM 7372 H HG21 . ILE A 1 17 ? -8.595 2.777 3.407 1.00 0.00 ? 17 ILE A HG21 6 ATOM 7373 H HG22 . ILE A 1 17 ? -9.751 3.250 2.161 1.00 0.00 ? 17 ILE A HG22 6 ATOM 7374 H HG23 . ILE A 1 17 ? -9.682 1.576 2.710 1.00 0.00 ? 17 ILE A HG23 6 ATOM 7375 H HD11 . ILE A 1 17 ? -7.274 4.012 2.962 1.00 0.00 ? 17 ILE A HD11 6 ATOM 7376 H HD12 . ILE A 1 17 ? -5.974 4.637 1.946 1.00 0.00 ? 17 ILE A HD12 6 ATOM 7377 H HD13 . ILE A 1 17 ? -7.587 5.343 1.849 1.00 0.00 ? 17 ILE A HD13 6 ATOM 7378 N N . GLU A 1 18 ? -6.583 1.770 4.270 1.00 0.00 ? 18 GLU A N 6 ATOM 7379 C CA . GLU A 1 18 ? -5.847 2.372 5.374 1.00 0.00 ? 18 GLU A CA 6 ATOM 7380 C C . GLU A 1 18 ? -4.677 1.482 5.778 1.00 0.00 ? 18 GLU A C 6 ATOM 7381 O O . GLU A 1 18 ? -3.587 1.968 6.082 1.00 0.00 ? 18 GLU A O 6 ATOM 7382 C CB . GLU A 1 18 ? -6.771 2.599 6.572 1.00 0.00 ? 18 GLU A CB 6 ATOM 7383 C CG . GLU A 1 18 ? -6.989 4.066 6.902 1.00 0.00 ? 18 GLU A CG 6 ATOM 7384 C CD . GLU A 1 18 ? -5.756 4.720 7.493 1.00 0.00 ? 18 GLU A CD 6 ATOM 7385 O OE1 . GLU A 1 18 ? -4.635 4.322 7.116 1.00 0.00 ? 18 GLU A OE1 6 ATOM 7386 O OE2 . GLU A 1 18 ? -5.912 5.631 8.333 1.00 0.00 ? 18 GLU A OE2 6 ATOM 7387 H H . GLU A 1 18 ? -7.415 1.288 4.457 1.00 0.00 ? 18 GLU A H 6 ATOM 7388 H HA . GLU A 1 18 ? -5.462 3.323 5.038 1.00 0.00 ? 18 GLU A HA 6 ATOM 7389 H HB2 . GLU A 1 18 ? -7.732 2.152 6.360 1.00 0.00 ? 18 GLU A HB2 6 ATOM 7390 H HB3 . GLU A 1 18 ? -6.344 2.117 7.438 1.00 0.00 ? 18 GLU A HB3 6 ATOM 7391 H HG2 . GLU A 1 18 ? -7.255 4.590 5.996 1.00 0.00 ? 18 GLU A HG2 6 ATOM 7392 H HG3 . GLU A 1 18 ? -7.798 4.146 7.613 1.00 0.00 ? 18 GLU A HG3 6 ATOM 7393 N N . ARG A 1 19 ? -4.909 0.172 5.768 1.00 0.00 ? 19 ARG A N 6 ATOM 7394 C CA . ARG A 1 19 ? -3.871 -0.786 6.126 1.00 0.00 ? 19 ARG A CA 6 ATOM 7395 C C . ARG A 1 19 ? -2.842 -0.898 5.010 1.00 0.00 ? 19 ARG A C 6 ATOM 7396 O O . ARG A 1 19 ? -1.670 -1.181 5.258 1.00 0.00 ? 19 ARG A O 6 ATOM 7397 C CB . ARG A 1 19 ? -4.484 -2.158 6.415 1.00 0.00 ? 19 ARG A CB 6 ATOM 7398 C CG . ARG A 1 19 ? -3.485 -3.170 6.949 1.00 0.00 ? 19 ARG A CG 6 ATOM 7399 C CD . ARG A 1 19 ? -4.001 -3.854 8.204 1.00 0.00 ? 19 ARG A CD 6 ATOM 7400 N NE . ARG A 1 19 ? -3.656 -3.112 9.414 1.00 0.00 ? 19 ARG A NE 6 ATOM 7401 C CZ . ARG A 1 19 ? -2.416 -3.004 9.882 1.00 0.00 ? 19 ARG A CZ 6 ATOM 7402 N NH1 . ARG A 1 19 ? -1.411 -3.586 9.243 1.00 0.00 ? 19 ARG A NH1 6 ATOM 7403 N NH2 . ARG A 1 19 ? -2.182 -2.312 10.988 1.00 0.00 ? 19 ARG A NH2 6 ATOM 7404 H H . ARG A 1 19 ? -5.795 -0.158 5.508 1.00 0.00 ? 19 ARG A H 6 ATOM 7405 H HA . ARG A 1 19 ? -3.379 -0.424 7.017 1.00 0.00 ? 19 ARG A HA 6 ATOM 7406 H HB2 . ARG A 1 19 ? -5.271 -2.041 7.145 1.00 0.00 ? 19 ARG A HB2 6 ATOM 7407 H HB3 . ARG A 1 19 ? -4.907 -2.550 5.501 1.00 0.00 ? 19 ARG A HB3 6 ATOM 7408 H HG2 . ARG A 1 19 ? -3.305 -3.918 6.192 1.00 0.00 ? 19 ARG A HG2 6 ATOM 7409 H HG3 . ARG A 1 19 ? -2.560 -2.661 7.181 1.00 0.00 ? 19 ARG A HG3 6 ATOM 7410 H HD2 . ARG A 1 19 ? -5.076 -3.935 8.139 1.00 0.00 ? 19 ARG A HD2 6 ATOM 7411 H HD3 . ARG A 1 19 ? -3.569 -4.843 8.263 1.00 0.00 ? 19 ARG A HD3 6 ATOM 7412 H HE . ARG A 1 19 ? -4.384 -2.673 9.901 1.00 0.00 ? 19 ARG A HE 6 ATOM 7413 H HH11 . ARG A 1 19 ? -1.584 -4.108 8.408 1.00 0.00 ? 19 ARG A HH11 6 ATOM 7414 H HH12 . ARG A 1 19 ? -0.479 -3.503 9.596 1.00 0.00 ? 19 ARG A HH12 6 ATOM 7415 H HH21 . ARG A 1 19 ? -2.937 -1.871 11.472 1.00 0.00 ? 19 ARG A HH21 6 ATOM 7416 H HH22 . ARG A 1 19 ? -1.248 -2.232 11.340 1.00 0.00 ? 19 ARG A HH22 6 ATOM 7417 N N . LEU A 1 20 ? -3.284 -0.663 3.779 1.00 0.00 ? 20 LEU A N 6 ATOM 7418 C CA . LEU A 1 20 ? -2.395 -0.726 2.630 1.00 0.00 ? 20 LEU A CA 6 ATOM 7419 C C . LEU A 1 20 ? -1.466 0.478 2.623 1.00 0.00 ? 20 LEU A C 6 ATOM 7420 O O . LEU A 1 20 ? -0.281 0.361 2.314 1.00 0.00 ? 20 LEU A O 6 ATOM 7421 C CB . LEU A 1 20 ? -3.197 -0.779 1.330 1.00 0.00 ? 20 LEU A CB 6 ATOM 7422 C CG . LEU A 1 20 ? -3.659 -2.176 0.911 1.00 0.00 ? 20 LEU A CG 6 ATOM 7423 C CD1 . LEU A 1 20 ? -4.823 -2.084 -0.064 1.00 0.00 ? 20 LEU A CD1 6 ATOM 7424 C CD2 . LEU A 1 20 ? -2.506 -2.956 0.296 1.00 0.00 ? 20 LEU A CD2 6 ATOM 7425 H H . LEU A 1 20 ? -4.227 -0.431 3.642 1.00 0.00 ? 20 LEU A H 6 ATOM 7426 H HA . LEU A 1 20 ? -1.801 -1.624 2.718 1.00 0.00 ? 20 LEU A HA 6 ATOM 7427 H HB2 . LEU A 1 20 ? -4.069 -0.151 1.442 1.00 0.00 ? 20 LEU A HB2 6 ATOM 7428 H HB3 . LEU A 1 20 ? -2.585 -0.376 0.537 1.00 0.00 ? 20 LEU A HB3 6 ATOM 7429 H HG . LEU A 1 20 ? -3.999 -2.713 1.785 1.00 0.00 ? 20 LEU A HG 6 ATOM 7430 H HD11 . LEU A 1 20 ? -5.178 -1.064 -0.105 1.00 0.00 ? 20 LEU A HD11 6 ATOM 7431 H HD12 . LEU A 1 20 ? -4.495 -2.390 -1.046 1.00 0.00 ? 20 LEU A HD12 6 ATOM 7432 H HD13 . LEU A 1 20 ? -5.622 -2.729 0.268 1.00 0.00 ? 20 LEU A HD13 6 ATOM 7433 H HD21 . LEU A 1 20 ? -1.817 -2.270 -0.172 1.00 0.00 ? 20 LEU A HD21 6 ATOM 7434 H HD22 . LEU A 1 20 ? -1.995 -3.509 1.069 1.00 0.00 ? 20 LEU A HD22 6 ATOM 7435 H HD23 . LEU A 1 20 ? -2.891 -3.642 -0.444 1.00 0.00 ? 20 LEU A HD23 6 ATOM 7436 N N . GLN A 1 21 ? -2.014 1.639 2.974 1.00 0.00 ? 21 GLN A N 6 ATOM 7437 C CA . GLN A 1 21 ? -1.235 2.869 3.016 1.00 0.00 ? 21 GLN A CA 6 ATOM 7438 C C . GLN A 1 21 ? -0.110 2.759 4.038 1.00 0.00 ? 21 GLN A C 6 ATOM 7439 O O . GLN A 1 21 ? 1.031 3.129 3.764 1.00 0.00 ? 21 GLN A O 6 ATOM 7440 C CB . GLN A 1 21 ? -2.135 4.059 3.356 1.00 0.00 ? 21 GLN A CB 6 ATOM 7441 C CG . GLN A 1 21 ? -1.379 5.367 3.520 1.00 0.00 ? 21 GLN A CG 6 ATOM 7442 C CD . GLN A 1 21 ? -2.251 6.581 3.267 1.00 0.00 ? 21 GLN A CD 6 ATOM 7443 O OE1 . GLN A 1 21 ? -2.285 7.115 2.159 1.00 0.00 ? 21 GLN A OE1 6 ATOM 7444 N NE2 . GLN A 1 21 ? -2.965 7.022 4.297 1.00 0.00 ? 21 GLN A NE2 6 ATOM 7445 H H . GLN A 1 21 ? -2.965 1.667 3.214 1.00 0.00 ? 21 GLN A H 6 ATOM 7446 H HA . GLN A 1 21 ? -0.804 3.023 2.037 1.00 0.00 ? 21 GLN A HA 6 ATOM 7447 H HB2 . GLN A 1 21 ? -2.860 4.184 2.565 1.00 0.00 ? 21 GLN A HB2 6 ATOM 7448 H HB3 . GLN A 1 21 ? -2.655 3.849 4.279 1.00 0.00 ? 21 GLN A HB3 6 ATOM 7449 H HG2 . GLN A 1 21 ? -0.997 5.422 4.528 1.00 0.00 ? 21 GLN A HG2 6 ATOM 7450 H HG3 . GLN A 1 21 ? -0.556 5.382 2.822 1.00 0.00 ? 21 GLN A HG3 6 ATOM 7451 H HE21 . GLN A 1 21 ? -2.889 6.547 5.150 1.00 0.00 ? 21 GLN A HE21 6 ATOM 7452 H HE22 . GLN A 1 21 ? -3.538 7.806 4.161 1.00 0.00 ? 21 GLN A HE22 6 ATOM 7453 N N . LYS A 1 22 ? -0.436 2.243 5.220 1.00 0.00 ? 22 LYS A N 6 ATOM 7454 C CA . LYS A 1 22 ? 0.555 2.083 6.278 1.00 0.00 ? 22 LYS A CA 6 ATOM 7455 C C . LYS A 1 22 ? 1.645 1.104 5.853 1.00 0.00 ? 22 LYS A C 6 ATOM 7456 O O . LYS A 1 22 ? 2.819 1.283 6.178 1.00 0.00 ? 22 LYS A O 6 ATOM 7457 C CB . LYS A 1 22 ? -0.114 1.595 7.563 1.00 0.00 ? 22 LYS A CB 6 ATOM 7458 C CG . LYS A 1 22 ? 0.410 2.274 8.818 1.00 0.00 ? 22 LYS A CG 6 ATOM 7459 C CD . LYS A 1 22 ? 0.825 1.257 9.870 1.00 0.00 ? 22 LYS A CD 6 ATOM 7460 C CE . LYS A 1 22 ? -0.381 0.692 10.602 1.00 0.00 ? 22 LYS A CE 6 ATOM 7461 N NZ . LYS A 1 22 ? -0.873 1.617 11.660 1.00 0.00 ? 22 LYS A NZ 6 ATOM 7462 H H . LYS A 1 22 ? -1.363 1.962 5.383 1.00 0.00 ? 22 LYS A H 6 ATOM 7463 H HA . LYS A 1 22 ? 1.005 3.047 6.459 1.00 0.00 ? 22 LYS A HA 6 ATOM 7464 H HB2 . LYS A 1 22 ? -1.176 1.782 7.497 1.00 0.00 ? 22 LYS A HB2 6 ATOM 7465 H HB3 . LYS A 1 22 ? 0.050 0.532 7.660 1.00 0.00 ? 22 LYS A HB3 6 ATOM 7466 H HG2 . LYS A 1 22 ? 1.268 2.876 8.557 1.00 0.00 ? 22 LYS A HG2 6 ATOM 7467 H HG3 . LYS A 1 22 ? -0.365 2.905 9.225 1.00 0.00 ? 22 LYS A HG3 6 ATOM 7468 H HD2 . LYS A 1 22 ? 1.352 0.448 9.387 1.00 0.00 ? 22 LYS A HD2 6 ATOM 7469 H HD3 . LYS A 1 22 ? 1.476 1.739 10.584 1.00 0.00 ? 22 LYS A HD3 6 ATOM 7470 H HE2 . LYS A 1 22 ? -1.174 0.523 9.888 1.00 0.00 ? 22 LYS A HE2 6 ATOM 7471 H HE3 . LYS A 1 22 ? -0.102 -0.247 11.057 1.00 0.00 ? 22 LYS A HE3 6 ATOM 7472 H HZ1 . LYS A 1 22 ? -0.131 2.301 11.911 1.00 0.00 ? 22 LYS A HZ1 6 ATOM 7473 H HZ2 . LYS A 1 22 ? -1.707 2.137 11.322 1.00 0.00 ? 22 LYS A HZ2 6 ATOM 7474 H HZ3 . LYS A 1 22 ? -1.135 1.079 12.511 1.00 0.00 ? 22 LYS A HZ3 6 ATOM 7475 N N . GLU A 1 23 ? 1.245 0.066 5.123 1.00 0.00 ? 23 GLU A N 6 ATOM 7476 C CA . GLU A 1 23 ? 2.184 -0.946 4.653 1.00 0.00 ? 23 GLU A CA 6 ATOM 7477 C C . GLU A 1 23 ? 3.192 -0.349 3.674 1.00 0.00 ? 23 GLU A C 6 ATOM 7478 O O . GLU A 1 23 ? 4.371 -0.708 3.687 1.00 0.00 ? 23 GLU A O 6 ATOM 7479 C CB . GLU A 1 23 ? 1.431 -2.099 3.987 1.00 0.00 ? 23 GLU A CB 6 ATOM 7480 C CG . GLU A 1 23 ? 1.681 -3.447 4.642 1.00 0.00 ? 23 GLU A CG 6 ATOM 7481 C CD . GLU A 1 23 ? 0.586 -3.835 5.616 1.00 0.00 ? 23 GLU A CD 6 ATOM 7482 O OE1 . GLU A 1 23 ? -0.529 -4.160 5.157 1.00 0.00 ? 23 GLU A OE1 6 ATOM 7483 O OE2 . GLU A 1 23 ? 0.843 -3.813 6.838 1.00 0.00 ? 23 GLU A OE2 6 ATOM 7484 H H . GLU A 1 23 ? 0.296 -0.021 4.897 1.00 0.00 ? 23 GLU A H 6 ATOM 7485 H HA . GLU A 1 23 ? 2.718 -1.325 5.511 1.00 0.00 ? 23 GLU A HA 6 ATOM 7486 H HB2 . GLU A 1 23 ? 0.370 -1.893 4.030 1.00 0.00 ? 23 GLU A HB2 6 ATOM 7487 H HB3 . GLU A 1 23 ? 1.733 -2.162 2.952 1.00 0.00 ? 23 GLU A HB3 6 ATOM 7488 H HG2 . GLU A 1 23 ? 1.739 -4.202 3.872 1.00 0.00 ? 23 GLU A HG2 6 ATOM 7489 H HG3 . GLU A 1 23 ? 2.619 -3.405 5.175 1.00 0.00 ? 23 GLU A HG3 6 ATOM 7490 N N . ILE A 1 24 ? 2.725 0.563 2.825 1.00 0.00 ? 24 ILE A N 6 ATOM 7491 C CA . ILE A 1 24 ? 3.600 1.198 1.846 1.00 0.00 ? 24 ILE A CA 6 ATOM 7492 C C . ILE A 1 24 ? 4.660 2.044 2.554 1.00 0.00 ? 24 ILE A C 6 ATOM 7493 O O . ILE A 1 24 ? 5.824 2.067 2.156 1.00 0.00 ? 24 ILE A O 6 ATOM 7494 C CB . ILE A 1 24 ? 2.805 2.052 0.804 1.00 0.00 ? 24 ILE A CB 6 ATOM 7495 C CG1 . ILE A 1 24 ? 2.678 3.525 1.223 1.00 0.00 ? 24 ILE A CG1 6 ATOM 7496 C CG2 . ILE A 1 24 ? 1.420 1.463 0.568 1.00 0.00 ? 24 ILE A CG2 6 ATOM 7497 C CD1 . ILE A 1 24 ? 3.872 4.363 0.821 1.00 0.00 ? 24 ILE A CD1 6 ATOM 7498 H H . ILE A 1 24 ? 1.780 0.812 2.862 1.00 0.00 ? 24 ILE A H 6 ATOM 7499 H HA . ILE A 1 24 ? 4.106 0.407 1.308 1.00 0.00 ? 24 ILE A HA 6 ATOM 7500 H HB . ILE A 1 24 ? 3.340 2.005 -0.133 1.00 0.00 ? 24 ILE A HB 6 ATOM 7501 H HG12 . ILE A 1 24 ? 1.801 3.951 0.759 1.00 0.00 ? 24 ILE A HG12 6 ATOM 7502 H HG13 . ILE A 1 24 ? 2.577 3.582 2.296 1.00 0.00 ? 24 ILE A HG13 6 ATOM 7503 H HG21 . ILE A 1 24 ? 1.432 0.409 0.799 1.00 0.00 ? 24 ILE A HG21 6 ATOM 7504 H HG22 . ILE A 1 24 ? 0.705 1.962 1.203 1.00 0.00 ? 24 ILE A HG22 6 ATOM 7505 H HG23 . ILE A 1 24 ? 1.141 1.603 -0.465 1.00 0.00 ? 24 ILE A HG23 6 ATOM 7506 H HD11 . ILE A 1 24 ? 4.603 3.735 0.330 1.00 0.00 ? 24 ILE A HD11 6 ATOM 7507 H HD12 . ILE A 1 24 ? 3.553 5.141 0.144 1.00 0.00 ? 24 ILE A HD12 6 ATOM 7508 H HD13 . ILE A 1 24 ? 4.312 4.808 1.700 1.00 0.00 ? 24 ILE A HD13 6 ATOM 7509 N N . GLU A 1 25 ? 4.239 2.733 3.612 1.00 0.00 ? 25 GLU A N 6 ATOM 7510 C CA . GLU A 1 25 ? 5.141 3.575 4.386 1.00 0.00 ? 25 GLU A CA 6 ATOM 7511 C C . GLU A 1 25 ? 6.297 2.751 4.939 1.00 0.00 ? 25 GLU A C 6 ATOM 7512 O O . GLU A 1 25 ? 7.453 3.168 4.877 1.00 0.00 ? 25 GLU A O 6 ATOM 7513 C CB . GLU A 1 25 ? 4.387 4.254 5.530 1.00 0.00 ? 25 GLU A CB 6 ATOM 7514 C CG . GLU A 1 25 ? 5.067 5.511 6.047 1.00 0.00 ? 25 GLU A CG 6 ATOM 7515 C CD . GLU A 1 25 ? 4.813 6.716 5.162 1.00 0.00 ? 25 GLU A CD 6 ATOM 7516 O OE1 . GLU A 1 25 ? 5.088 6.629 3.947 1.00 0.00 ? 25 GLU A OE1 6 ATOM 7517 O OE2 . GLU A 1 25 ? 4.339 7.746 5.685 1.00 0.00 ? 25 GLU A OE2 6 ATOM 7518 H H . GLU A 1 25 ? 3.298 2.669 3.881 1.00 0.00 ? 25 GLU A H 6 ATOM 7519 H HA . GLU A 1 25 ? 5.537 4.333 3.726 1.00 0.00 ? 25 GLU A HA 6 ATOM 7520 H HB2 . GLU A 1 25 ? 3.398 4.521 5.187 1.00 0.00 ? 25 GLU A HB2 6 ATOM 7521 H HB3 . GLU A 1 25 ? 4.297 3.556 6.351 1.00 0.00 ? 25 GLU A HB3 6 ATOM 7522 H HG2 . GLU A 1 25 ? 4.694 5.726 7.037 1.00 0.00 ? 25 GLU A HG2 6 ATOM 7523 H HG3 . GLU A 1 25 ? 6.131 5.335 6.094 1.00 0.00 ? 25 GLU A HG3 6 ATOM 7524 N N . ARG A 1 26 ? 5.976 1.577 5.474 1.00 0.00 ? 26 ARG A N 6 ATOM 7525 C CA . ARG A 1 26 ? 6.993 0.692 6.030 1.00 0.00 ? 26 ARG A CA 6 ATOM 7526 C C . ARG A 1 26 ? 8.050 0.374 4.980 1.00 0.00 ? 26 ARG A C 6 ATOM 7527 O O . ARG A 1 26 ? 9.250 0.508 5.228 1.00 0.00 ? 26 ARG A O 6 ATOM 7528 C CB . ARG A 1 26 ? 6.353 -0.602 6.538 1.00 0.00 ? 26 ARG A CB 6 ATOM 7529 C CG . ARG A 1 26 ? 6.722 -0.939 7.973 1.00 0.00 ? 26 ARG A CG 6 ATOM 7530 C CD . ARG A 1 26 ? 7.895 -1.903 8.035 1.00 0.00 ? 26 ARG A CD 6 ATOM 7531 N NE . ARG A 1 26 ? 7.524 -3.181 8.636 1.00 0.00 ? 26 ARG A NE 6 ATOM 7532 C CZ . ARG A 1 26 ? 8.284 -4.269 8.578 1.00 0.00 ? 26 ARG A CZ 6 ATOM 7533 N NH1 . ARG A 1 26 ? 9.451 -4.234 7.950 1.00 0.00 ? 26 ARG A NH1 6 ATOM 7534 N NH2 . ARG A 1 26 ? 7.878 -5.395 9.150 1.00 0.00 ? 26 ARG A NH2 6 ATOM 7535 H H . ARG A 1 26 ? 5.036 1.298 5.490 1.00 0.00 ? 26 ARG A H 6 ATOM 7536 H HA . ARG A 1 26 ? 7.462 1.203 6.857 1.00 0.00 ? 26 ARG A HA 6 ATOM 7537 H HB2 . ARG A 1 26 ? 5.280 -0.507 6.477 1.00 0.00 ? 26 ARG A HB2 6 ATOM 7538 H HB3 . ARG A 1 26 ? 6.669 -1.418 5.906 1.00 0.00 ? 26 ARG A HB3 6 ATOM 7539 H HG2 . ARG A 1 26 ? 6.989 -0.030 8.489 1.00 0.00 ? 26 ARG A HG2 6 ATOM 7540 H HG3 . ARG A 1 26 ? 5.869 -1.393 8.457 1.00 0.00 ? 26 ARG A HG3 6 ATOM 7541 H HD2 . ARG A 1 26 ? 8.254 -2.079 7.031 1.00 0.00 ? 26 ARG A HD2 6 ATOM 7542 H HD3 . ARG A 1 26 ? 8.683 -1.454 8.622 1.00 0.00 ? 26 ARG A HD3 6 ATOM 7543 H HE . ARG A 1 26 ? 6.665 -3.229 9.105 1.00 0.00 ? 26 ARG A HE 6 ATOM 7544 H HH11 . ARG A 1 26 ? 9.761 -3.387 7.519 1.00 0.00 ? 26 ARG A HH11 6 ATOM 7545 H HH12 . ARG A 1 26 ? 10.022 -5.054 7.908 1.00 0.00 ? 26 ARG A HH12 6 ATOM 7546 H HH21 . ARG A 1 26 ? 6.998 -5.425 9.624 1.00 0.00 ? 26 ARG A HH21 6 ATOM 7547 H HH22 . ARG A 1 26 ? 8.450 -6.214 9.106 1.00 0.00 ? 26 ARG A HH22 6 ATOM 7548 N N . HIS A 1 27 ? 7.596 -0.035 3.799 1.00 0.00 ? 27 HIS A N 6 ATOM 7549 C CA . HIS A 1 27 ? 8.503 -0.361 2.707 1.00 0.00 ? 27 HIS A CA 6 ATOM 7550 C C . HIS A 1 27 ? 9.295 0.873 2.285 1.00 0.00 ? 27 HIS A C 6 ATOM 7551 O O . HIS A 1 27 ? 10.394 0.762 1.741 1.00 0.00 ? 27 HIS A O 6 ATOM 7552 C CB . HIS A 1 27 ? 7.723 -0.915 1.514 1.00 0.00 ? 27 HIS A CB 6 ATOM 7553 C CG . HIS A 1 27 ? 7.805 -2.405 1.386 1.00 0.00 ? 27 HIS A CG 6 ATOM 7554 N ND1 . HIS A 1 27 ? 8.896 -3.056 0.851 1.00 0.00 ? 27 HIS A ND1 6 ATOM 7555 C CD2 . HIS A 1 27 ? 6.921 -3.373 1.728 1.00 0.00 ? 27 HIS A CD2 6 ATOM 7556 C CE1 . HIS A 1 27 ? 8.682 -4.360 0.869 1.00 0.00 ? 27 HIS A CE1 6 ATOM 7557 N NE2 . HIS A 1 27 ? 7.491 -4.578 1.397 1.00 0.00 ? 27 HIS A NE2 6 ATOM 7558 H H . HIS A 1 27 ? 6.628 -0.114 3.659 1.00 0.00 ? 27 HIS A H 6 ATOM 7559 H HA . HIS A 1 27 ? 9.192 -1.114 3.060 1.00 0.00 ? 27 HIS A HA 6 ATOM 7560 H HB2 . HIS A 1 27 ? 6.682 -0.648 1.618 1.00 0.00 ? 27 HIS A HB2 6 ATOM 7561 H HB3 . HIS A 1 27 ? 8.112 -0.481 0.605 1.00 0.00 ? 27 HIS A HB3 6 ATOM 7562 H HD1 . HIS A 1 27 ? 9.708 -2.627 0.509 1.00 0.00 ? 27 HIS A HD1 6 ATOM 7563 H HD2 . HIS A 1 27 ? 5.950 -3.226 2.179 1.00 0.00 ? 27 HIS A HD2 6 ATOM 7564 H HE1 . HIS A 1 27 ? 9.364 -5.118 0.514 1.00 0.00 ? 27 HIS A HE1 6 ATOM 7565 H HE2 . HIS A 1 27 ? 7.084 -5.459 1.529 1.00 0.00 ? 27 HIS A HE2 6 ATOM 7566 N N . LYS A 1 28 ? 8.728 2.049 2.543 1.00 0.00 ? 28 LYS A N 6 ATOM 7567 C CA . LYS A 1 28 ? 9.380 3.305 2.194 1.00 0.00 ? 28 LYS A CA 6 ATOM 7568 C C . LYS A 1 28 ? 10.475 3.645 3.199 1.00 0.00 ? 28 LYS A C 6 ATOM 7569 O O . LYS A 1 28 ? 11.433 4.346 2.875 1.00 0.00 ? 28 LYS A O 6 ATOM 7570 C CB . LYS A 1 28 ? 8.353 4.438 2.141 1.00 0.00 ? 28 LYS A CB 6 ATOM 7571 C CG . LYS A 1 28 ? 8.861 5.688 1.442 1.00 0.00 ? 28 LYS A CG 6 ATOM 7572 C CD . LYS A 1 28 ? 8.437 6.949 2.178 1.00 0.00 ? 28 LYS A CD 6 ATOM 7573 C CE . LYS A 1 28 ? 9.364 7.252 3.343 1.00 0.00 ? 28 LYS A CE 6 ATOM 7574 N NZ . LYS A 1 28 ? 8.921 8.451 4.108 1.00 0.00 ? 28 LYS A NZ 6 ATOM 7575 H H . LYS A 1 28 ? 7.852 2.072 2.980 1.00 0.00 ? 28 LYS A H 6 ATOM 7576 H HA . LYS A 1 28 ? 9.824 3.188 1.219 1.00 0.00 ? 28 LYS A HA 6 ATOM 7577 H HB2 . LYS A 1 28 ? 7.475 4.089 1.617 1.00 0.00 ? 28 LYS A HB2 6 ATOM 7578 H HB3 . LYS A 1 28 ? 8.075 4.705 3.150 1.00 0.00 ? 28 LYS A HB3 6 ATOM 7579 H HG2 . LYS A 1 28 ? 9.939 5.653 1.401 1.00 0.00 ? 28 LYS A HG2 6 ATOM 7580 H HG3 . LYS A 1 28 ? 8.461 5.715 0.439 1.00 0.00 ? 28 LYS A HG3 6 ATOM 7581 H HD2 . LYS A 1 28 ? 8.457 7.780 1.489 1.00 0.00 ? 28 LYS A HD2 6 ATOM 7582 H HD3 . LYS A 1 28 ? 7.432 6.814 2.552 1.00 0.00 ? 28 LYS A HD3 6 ATOM 7583 H HE2 . LYS A 1 28 ? 9.379 6.400 4.006 1.00 0.00 ? 28 LYS A HE2 6 ATOM 7584 H HE3 . LYS A 1 28 ? 10.359 7.427 2.960 1.00 0.00 ? 28 LYS A HE3 6 ATOM 7585 H HZ1 . LYS A 1 28 ? 8.462 9.132 3.470 1.00 0.00 ? 28 LYS A HZ1 6 ATOM 7586 H HZ2 . LYS A 1 28 ? 8.244 8.174 4.846 1.00 0.00 ? 28 LYS A HZ2 6 ATOM 7587 H HZ3 . LYS A 1 28 ? 9.740 8.910 4.556 1.00 0.00 ? 28 LYS A HZ3 6 ATOM 7588 N N . GLN A 1 29 ? 10.326 3.142 4.421 1.00 0.00 ? 29 GLN A N 6 ATOM 7589 C CA . GLN A 1 29 ? 11.302 3.391 5.474 1.00 0.00 ? 29 GLN A CA 6 ATOM 7590 C C . GLN A 1 29 ? 12.547 2.536 5.272 1.00 0.00 ? 29 GLN A C 6 ATOM 7591 O O . GLN A 1 29 ? 13.664 2.974 5.546 1.00 0.00 ? 29 GLN A O 6 ATOM 7592 C CB . GLN A 1 29 ? 10.689 3.105 6.847 1.00 0.00 ? 29 GLN A CB 6 ATOM 7593 C CG . GLN A 1 29 ? 11.339 3.886 7.977 1.00 0.00 ? 29 GLN A CG 6 ATOM 7594 C CD . GLN A 1 29 ? 10.454 4.999 8.502 1.00 0.00 ? 29 GLN A CD 6 ATOM 7595 O OE1 . GLN A 1 29 ? 9.341 4.755 8.969 1.00 0.00 ? 29 GLN A OE1 6 ATOM 7596 N NE2 . GLN A 1 29 ? 10.944 6.231 8.427 1.00 0.00 ? 29 GLN A NE2 6 ATOM 7597 H H . GLN A 1 29 ? 9.542 2.590 4.618 1.00 0.00 ? 29 GLN A H 6 ATOM 7598 H HA . GLN A 1 29 ? 11.585 4.432 5.424 1.00 0.00 ? 29 GLN A HA 6 ATOM 7599 H HB2 . GLN A 1 29 ? 9.641 3.360 6.819 1.00 0.00 ? 29 GLN A HB2 6 ATOM 7600 H HB3 . GLN A 1 29 ? 10.790 2.052 7.060 1.00 0.00 ? 29 GLN A HB3 6 ATOM 7601 H HG2 . GLN A 1 29 ? 11.556 3.207 8.789 1.00 0.00 ? 29 GLN A HG2 6 ATOM 7602 H HG3 . GLN A 1 29 ? 12.261 4.319 7.616 1.00 0.00 ? 29 GLN A HG3 6 ATOM 7603 H HE21 . GLN A 1 29 ? 11.838 6.351 8.043 1.00 0.00 ? 29 GLN A HE21 6 ATOM 7604 H HE22 . GLN A 1 29 ? 10.392 6.970 8.760 1.00 0.00 ? 29 GLN A HE22 6 ATOM 7605 N N . SER A 1 30 ? 12.349 1.315 4.787 1.00 0.00 ? 30 SER A N 6 ATOM 7606 C CA . SER A 1 30 ? 13.459 0.402 4.546 1.00 0.00 ? 30 SER A CA 6 ATOM 7607 C C . SER A 1 30 ? 14.250 0.829 3.313 1.00 0.00 ? 30 SER A C 6 ATOM 7608 O O . SER A 1 30 ? 15.479 0.783 3.304 1.00 0.00 ? 30 SER A O 6 ATOM 7609 C CB . SER A 1 30 ? 12.945 -1.028 4.369 1.00 0.00 ? 30 SER A CB 6 ATOM 7610 O OG . SER A 1 30 ? 11.835 -1.279 5.212 1.00 0.00 ? 30 SER A OG 6 ATOM 7611 H H . SER A 1 30 ? 11.434 1.021 4.586 1.00 0.00 ? 30 SER A H 6 ATOM 7612 H HA . SER A 1 30 ? 14.111 0.438 5.406 1.00 0.00 ? 30 SER A HA 6 ATOM 7613 H HB2 . SER A 1 30 ? 12.642 -1.174 3.343 1.00 0.00 ? 30 SER A HB2 6 ATOM 7614 H HB3 . SER A 1 30 ? 13.734 -1.724 4.614 1.00 0.00 ? 30 SER A HB3 6 ATOM 7615 H HG . SER A 1 30 ? 11.650 -2.221 5.225 1.00 0.00 ? 30 SER A HG 6 ATOM 7616 N N . ILE A 1 31 ? 13.533 1.245 2.274 1.00 0.00 ? 31 ILE A N 6 ATOM 7617 C CA . ILE A 1 31 ? 14.162 1.684 1.032 1.00 0.00 ? 31 ILE A CA 6 ATOM 7618 C C . ILE A 1 31 ? 14.848 3.034 1.208 1.00 0.00 ? 31 ILE A C 6 ATOM 7619 O O . ILE A 1 31 ? 15.814 3.346 0.510 1.00 0.00 ? 31 ILE A O 6 ATOM 7620 C CB . ILE A 1 31 ? 13.131 1.782 -0.112 1.00 0.00 ? 31 ILE A CB 6 ATOM 7621 C CG1 . ILE A 1 31 ? 13.796 2.238 -1.412 1.00 0.00 ? 31 ILE A CG1 6 ATOM 7622 C CG2 . ILE A 1 31 ? 12.009 2.741 0.262 1.00 0.00 ? 31 ILE A CG2 6 ATOM 7623 C CD1 . ILE A 1 31 ? 14.589 1.153 -2.105 1.00 0.00 ? 31 ILE A CD1 6 ATOM 7624 H H . ILE A 1 31 ? 12.557 1.257 2.346 1.00 0.00 ? 31 ILE A H 6 ATOM 7625 H HA . ILE A 1 31 ? 14.904 0.948 0.756 1.00 0.00 ? 31 ILE A HA 6 ATOM 7626 H HB . ILE A 1 31 ? 12.704 0.803 -0.258 1.00 0.00 ? 31 ILE A HB 6 ATOM 7627 H HG12 . ILE A 1 31 ? 13.031 2.572 -2.096 1.00 0.00 ? 31 ILE A HG12 6 ATOM 7628 H HG13 . ILE A 1 31 ? 14.467 3.057 -1.199 1.00 0.00 ? 31 ILE A HG13 6 ATOM 7629 H HG21 . ILE A 1 31 ? 11.632 2.495 1.240 1.00 0.00 ? 31 ILE A HG21 6 ATOM 7630 H HG22 . ILE A 1 31 ? 12.388 3.752 0.267 1.00 0.00 ? 31 ILE A HG22 6 ATOM 7631 H HG23 . ILE A 1 31 ? 11.212 2.660 -0.463 1.00 0.00 ? 31 ILE A HG23 6 ATOM 7632 H HD11 . ILE A 1 31 ? 13.970 0.279 -2.226 1.00 0.00 ? 31 ILE A HD11 6 ATOM 7633 H HD12 . ILE A 1 31 ? 14.907 1.505 -3.074 1.00 0.00 ? 31 ILE A HD12 6 ATOM 7634 H HD13 . ILE A 1 31 ? 15.455 0.904 -1.511 1.00 0.00 ? 31 ILE A HD13 6 ATOM 7635 N N . LYS A 1 32 ? 14.347 3.832 2.146 1.00 0.00 ? 32 LYS A N 6 ATOM 7636 C CA . LYS A 1 32 ? 14.916 5.148 2.410 1.00 0.00 ? 32 LYS A CA 6 ATOM 7637 C C . LYS A 1 32 ? 16.172 5.039 3.271 1.00 0.00 ? 32 LYS A C 6 ATOM 7638 O O . LYS A 1 32 ? 17.129 5.790 3.087 1.00 0.00 ? 32 LYS A O 6 ATOM 7639 C CB . LYS A 1 32 ? 13.886 6.043 3.102 1.00 0.00 ? 32 LYS A CB 6 ATOM 7640 C CG . LYS A 1 32 ? 14.360 7.473 3.301 1.00 0.00 ? 32 LYS A CG 6 ATOM 7641 C CD . LYS A 1 32 ? 13.570 8.446 2.441 1.00 0.00 ? 32 LYS A CD 6 ATOM 7642 C CE . LYS A 1 32 ? 14.049 8.427 0.998 1.00 0.00 ? 32 LYS A CE 6 ATOM 7643 N NZ . LYS A 1 32 ? 14.788 9.669 0.641 1.00 0.00 ? 32 LYS A NZ 6 ATOM 7644 H H . LYS A 1 32 ? 13.578 3.529 2.672 1.00 0.00 ? 32 LYS A H 6 ATOM 7645 H HA . LYS A 1 32 ? 15.184 5.589 1.462 1.00 0.00 ? 32 LYS A HA 6 ATOM 7646 H HB2 . LYS A 1 32 ? 12.986 6.063 2.506 1.00 0.00 ? 32 LYS A HB2 6 ATOM 7647 H HB3 . LYS A 1 32 ? 13.657 5.624 4.071 1.00 0.00 ? 32 LYS A HB3 6 ATOM 7648 H HG2 . LYS A 1 32 ? 14.233 7.743 4.339 1.00 0.00 ? 32 LYS A HG2 6 ATOM 7649 H HG3 . LYS A 1 32 ? 15.405 7.537 3.036 1.00 0.00 ? 32 LYS A HG3 6 ATOM 7650 H HD2 . LYS A 1 32 ? 12.526 8.169 2.466 1.00 0.00 ? 32 LYS A HD2 6 ATOM 7651 H HD3 . LYS A 1 32 ? 13.691 9.443 2.838 1.00 0.00 ? 32 LYS A HD3 6 ATOM 7652 H HE2 . LYS A 1 32 ? 14.702 7.578 0.860 1.00 0.00 ? 32 LYS A HE2 6 ATOM 7653 H HE3 . LYS A 1 32 ? 13.191 8.330 0.349 1.00 0.00 ? 32 LYS A HE3 6 ATOM 7654 H HZ1 . LYS A 1 32 ? 14.187 10.503 0.805 1.00 0.00 ? 32 LYS A HZ1 6 ATOM 7655 H HZ2 . LYS A 1 32 ? 15.646 9.754 1.223 1.00 0.00 ? 32 LYS A HZ2 6 ATOM 7656 H HZ3 . LYS A 1 32 ? 15.064 9.647 -0.361 1.00 0.00 ? 32 LYS A HZ3 6 ATOM 7657 N N . LYS A 1 33 ? 16.162 4.097 4.208 1.00 0.00 ? 33 LYS A N 6 ATOM 7658 C CA . LYS A 1 33 ? 17.301 3.892 5.094 1.00 0.00 ? 33 LYS A CA 6 ATOM 7659 C C . LYS A 1 33 ? 18.411 3.129 4.380 1.00 0.00 ? 33 LYS A C 6 ATOM 7660 O O . LYS A 1 33 ? 19.588 3.264 4.715 1.00 0.00 ? 33 LYS A O 6 ATOM 7661 C CB . LYS A 1 33 ? 16.870 3.131 6.350 1.00 0.00 ? 33 LYS A CB 6 ATOM 7662 C CG . LYS A 1 33 ? 17.987 2.948 7.363 1.00 0.00 ? 33 LYS A CG 6 ATOM 7663 C CD . LYS A 1 33 ? 17.760 1.715 8.224 1.00 0.00 ? 33 LYS A CD 6 ATOM 7664 C CE . LYS A 1 33 ? 16.816 2.009 9.379 1.00 0.00 ? 33 LYS A CE 6 ATOM 7665 N NZ . LYS A 1 33 ? 16.081 0.791 9.819 1.00 0.00 ? 33 LYS A NZ 6 ATOM 7666 H H . LYS A 1 33 ? 15.371 3.527 4.306 1.00 0.00 ? 33 LYS A H 6 ATOM 7667 H HA . LYS A 1 33 ? 17.676 4.862 5.382 1.00 0.00 ? 33 LYS A HA 6 ATOM 7668 H HB2 . LYS A 1 33 ? 16.066 3.674 6.825 1.00 0.00 ? 33 LYS A HB2 6 ATOM 7669 H HB3 . LYS A 1 33 ? 16.511 2.155 6.060 1.00 0.00 ? 33 LYS A HB3 6 ATOM 7670 H HG2 . LYS A 1 33 ? 18.924 2.839 6.837 1.00 0.00 ? 33 LYS A HG2 6 ATOM 7671 H HG3 . LYS A 1 33 ? 18.028 3.819 8.000 1.00 0.00 ? 33 LYS A HG3 6 ATOM 7672 H HD2 . LYS A 1 33 ? 17.333 0.935 7.613 1.00 0.00 ? 33 LYS A HD2 6 ATOM 7673 H HD3 . LYS A 1 33 ? 18.709 1.386 8.622 1.00 0.00 ? 33 LYS A HD3 6 ATOM 7674 H HE2 . LYS A 1 33 ? 17.391 2.391 10.210 1.00 0.00 ? 33 LYS A HE2 6 ATOM 7675 H HE3 . LYS A 1 33 ? 16.102 2.756 9.063 1.00 0.00 ? 33 LYS A HE3 6 ATOM 7676 H HZ1 . LYS A 1 33 ? 16.687 -0.048 9.717 1.00 0.00 ? 33 LYS A HZ1 6 ATOM 7677 H HZ2 . LYS A 1 33 ? 15.801 0.883 10.816 1.00 0.00 ? 33 LYS A HZ2 6 ATOM 7678 H HZ3 . LYS A 1 33 ? 15.226 0.661 9.241 1.00 0.00 ? 33 LYS A HZ3 6 ATOM 7679 N N . LEU A 1 34 ? 18.028 2.331 3.389 1.00 0.00 ? 34 LEU A N 6 ATOM 7680 C CA . LEU A 1 34 ? 18.990 1.550 2.623 1.00 0.00 ? 34 LEU A CA 6 ATOM 7681 C C . LEU A 1 34 ? 19.662 2.416 1.563 1.00 0.00 ? 34 LEU A C 6 ATOM 7682 O O . LEU A 1 34 ? 20.838 2.229 1.249 1.00 0.00 ? 34 LEU A O 6 ATOM 7683 C CB . LEU A 1 34 ? 18.301 0.353 1.965 1.00 0.00 ? 34 LEU A CB 6 ATOM 7684 C CG . LEU A 1 34 ? 18.643 -1.007 2.574 1.00 0.00 ? 34 LEU A CG 6 ATOM 7685 C CD1 . LEU A 1 34 ? 17.390 -1.856 2.726 1.00 0.00 ? 34 LEU A CD1 6 ATOM 7686 C CD2 . LEU A 1 34 ? 19.678 -1.727 1.722 1.00 0.00 ? 34 LEU A CD2 6 ATOM 7687 H H . LEU A 1 34 ? 17.075 2.268 3.166 1.00 0.00 ? 34 LEU A H 6 ATOM 7688 H HA . LEU A 1 34 ? 19.744 1.190 3.308 1.00 0.00 ? 34 LEU A HA 6 ATOM 7689 H HB2 . LEU A 1 34 ? 17.233 0.497 2.034 1.00 0.00 ? 34 LEU A HB2 6 ATOM 7690 H HB3 . LEU A 1 34 ? 18.578 0.334 0.922 1.00 0.00 ? 34 LEU A HB3 6 ATOM 7691 H HG . LEU A 1 34 ? 19.066 -0.857 3.558 1.00 0.00 ? 34 LEU A HG 6 ATOM 7692 H HD11 . LEU A 1 34 ? 16.517 -1.227 2.632 1.00 0.00 ? 34 LEU A HD11 6 ATOM 7693 H HD12 . LEU A 1 34 ? 17.373 -2.612 1.955 1.00 0.00 ? 34 LEU A HD12 6 ATOM 7694 H HD13 . LEU A 1 34 ? 17.392 -2.329 3.696 1.00 0.00 ? 34 LEU A HD13 6 ATOM 7695 H HD21 . LEU A 1 34 ? 19.362 -1.716 0.689 1.00 0.00 ? 34 LEU A HD21 6 ATOM 7696 H HD22 . LEU A 1 34 ? 20.630 -1.229 1.814 1.00 0.00 ? 34 LEU A HD22 6 ATOM 7697 H HD23 . LEU A 1 34 ? 19.773 -2.750 2.059 1.00 0.00 ? 34 LEU A HD23 6 ATOM 7698 N N . LYS A 1 35 ? 18.909 3.367 1.019 1.00 0.00 ? 35 LYS A N 6 ATOM 7699 C CA . LYS A 1 35 ? 19.435 4.264 -0.003 1.00 0.00 ? 35 LYS A CA 6 ATOM 7700 C C . LYS A 1 35 ? 20.362 5.302 0.618 1.00 0.00 ? 35 LYS A C 6 ATOM 7701 O O . LYS A 1 35 ? 21.348 5.714 0.006 1.00 0.00 ? 35 LYS A O 6 ATOM 7702 C CB . LYS A 1 35 ? 18.290 4.959 -0.742 1.00 0.00 ? 35 LYS A CB 6 ATOM 7703 C CG . LYS A 1 35 ? 18.211 4.599 -2.216 1.00 0.00 ? 35 LYS A CG 6 ATOM 7704 C CD . LYS A 1 35 ? 18.757 5.715 -3.092 1.00 0.00 ? 35 LYS A CD 6 ATOM 7705 C CE . LYS A 1 35 ? 17.892 6.961 -3.010 1.00 0.00 ? 35 LYS A CE 6 ATOM 7706 N NZ . LYS A 1 35 ? 17.680 7.579 -4.348 1.00 0.00 ? 35 LYS A NZ 6 ATOM 7707 H H . LYS A 1 35 ? 17.979 3.469 1.312 1.00 0.00 ? 35 LYS A H 6 ATOM 7708 H HA . LYS A 1 35 ? 19.999 3.670 -0.706 1.00 0.00 ? 35 LYS A HA 6 ATOM 7709 H HB2 . LYS A 1 35 ? 17.356 4.684 -0.275 1.00 0.00 ? 35 LYS A HB2 6 ATOM 7710 H HB3 . LYS A 1 35 ? 18.421 6.028 -0.662 1.00 0.00 ? 35 LYS A HB3 6 ATOM 7711 H HG2 . LYS A 1 35 ? 18.787 3.703 -2.390 1.00 0.00 ? 35 LYS A HG2 6 ATOM 7712 H HG3 . LYS A 1 35 ? 17.177 4.421 -2.478 1.00 0.00 ? 35 LYS A HG3 6 ATOM 7713 H HD2 . LYS A 1 35 ? 19.756 5.960 -2.764 1.00 0.00 ? 35 LYS A HD2 6 ATOM 7714 H HD3 . LYS A 1 35 ? 18.786 5.373 -4.116 1.00 0.00 ? 35 LYS A HD3 6 ATOM 7715 H HE2 . LYS A 1 35 ? 16.934 6.692 -2.591 1.00 0.00 ? 35 LYS A HE2 6 ATOM 7716 H HE3 . LYS A 1 35 ? 18.378 7.679 -2.365 1.00 0.00 ? 35 LYS A HE3 6 ATOM 7717 H HZ1 . LYS A 1 35 ? 18.251 7.087 -5.065 1.00 0.00 ? 35 LYS A HZ1 6 ATOM 7718 H HZ2 . LYS A 1 35 ? 16.677 7.512 -4.617 1.00 0.00 ? 35 LYS A HZ2 6 ATOM 7719 H HZ3 . LYS A 1 35 ? 17.955 8.581 -4.328 1.00 0.00 ? 35 LYS A HZ3 6 ATOM 7720 N N . GLN A 1 36 ? 20.041 5.722 1.838 1.00 0.00 ? 36 GLN A N 6 ATOM 7721 C CA . GLN A 1 36 ? 20.849 6.711 2.542 1.00 0.00 ? 36 GLN A CA 6 ATOM 7722 C C . GLN A 1 36 ? 22.109 6.071 3.114 1.00 0.00 ? 36 GLN A C 6 ATOM 7723 O O . GLN A 1 36 ? 23.157 6.711 3.202 1.00 0.00 ? 36 GLN A O 6 ATOM 7724 C CB . GLN A 1 36 ? 20.036 7.360 3.664 1.00 0.00 ? 36 GLN A CB 6 ATOM 7725 C CG . GLN A 1 36 ? 20.800 8.428 4.428 1.00 0.00 ? 36 GLN A CG 6 ATOM 7726 C CD . GLN A 1 36 ? 20.928 8.109 5.905 1.00 0.00 ? 36 GLN A CD 6 ATOM 7727 O OE1 . GLN A 1 36 ? 20.215 8.668 6.737 1.00 0.00 ? 36 GLN A OE1 6 ATOM 7728 N NE2 . GLN A 1 36 ? 21.843 7.206 6.237 1.00 0.00 ? 36 GLN A NE2 6 ATOM 7729 H H . GLN A 1 36 ? 19.244 5.355 2.276 1.00 0.00 ? 36 GLN A H 6 ATOM 7730 H HA . GLN A 1 36 ? 21.136 7.471 1.831 1.00 0.00 ? 36 GLN A HA 6 ATOM 7731 H HB2 . GLN A 1 36 ? 19.153 7.813 3.238 1.00 0.00 ? 36 GLN A HB2 6 ATOM 7732 H HB3 . GLN A 1 36 ? 19.734 6.594 4.363 1.00 0.00 ? 36 GLN A HB3 6 ATOM 7733 H HG2 . GLN A 1 36 ? 21.790 8.516 4.008 1.00 0.00 ? 36 GLN A HG2 6 ATOM 7734 H HG3 . GLN A 1 36 ? 20.280 9.370 4.321 1.00 0.00 ? 36 GLN A HG3 6 ATOM 7735 H HE21 . GLN A 1 36 ? 22.375 6.801 5.522 1.00 0.00 ? 36 GLN A HE21 6 ATOM 7736 H HE22 . GLN A 1 36 ? 21.947 6.980 7.186 1.00 0.00 ? 36 GLN A HE22 6 ATOM 7737 N N . SER A 1 37 ? 22.000 4.804 3.499 1.00 0.00 ? 37 SER A N 6 ATOM 7738 C CA . SER A 1 37 ? 23.131 4.076 4.061 1.00 0.00 ? 37 SER A CA 6 ATOM 7739 C C . SER A 1 37 ? 24.104 3.659 2.964 1.00 0.00 ? 37 SER A C 6 ATOM 7740 O O . SER A 1 37 ? 25.301 3.508 3.205 1.00 0.00 ? 37 SER A O 6 ATOM 7741 C CB . SER A 1 37 ? 22.643 2.842 4.823 1.00 0.00 ? 37 SER A CB 6 ATOM 7742 O OG . SER A 1 37 ? 22.092 1.881 3.940 1.00 0.00 ? 37 SER A OG 6 ATOM 7743 H H . SER A 1 37 ? 21.138 4.347 3.402 1.00 0.00 ? 37 SER A H 6 ATOM 7744 H HA . SER A 1 37 ? 23.641 4.734 4.747 1.00 0.00 ? 37 SER A HA 6 ATOM 7745 H HB2 . SER A 1 37 ? 23.473 2.395 5.348 1.00 0.00 ? 37 SER A HB2 6 ATOM 7746 H HB3 . SER A 1 37 ? 21.885 3.137 5.534 1.00 0.00 ? 37 SER A HB3 6 ATOM 7747 H HG . SER A 1 37 ? 22.027 1.035 4.388 1.00 0.00 ? 37 SER A HG 6 ATOM 7748 N N . GLU A 1 38 ? 23.581 3.476 1.755 1.00 0.00 ? 38 GLU A N 6 ATOM 7749 C CA . GLU A 1 38 ? 24.404 3.078 0.620 1.00 0.00 ? 38 GLU A CA 6 ATOM 7750 C C . GLU A 1 38 ? 25.242 4.251 0.121 1.00 0.00 ? 38 GLU A C 6 ATOM 7751 O O . GLU A 1 38 ? 26.309 4.061 -0.461 1.00 0.00 ? 38 GLU A O 6 ATOM 7752 C CB . GLU A 1 38 ? 23.526 2.545 -0.514 1.00 0.00 ? 38 GLU A CB 6 ATOM 7753 C CG . GLU A 1 38 ? 24.055 1.267 -1.144 1.00 0.00 ? 38 GLU A CG 6 ATOM 7754 C CD . GLU A 1 38 ? 24.716 1.508 -2.486 1.00 0.00 ? 38 GLU A CD 6 ATOM 7755 O OE1 . GLU A 1 38 ? 24.006 1.893 -3.438 1.00 0.00 ? 38 GLU A OE1 6 ATOM 7756 O OE2 . GLU A 1 38 ? 25.946 1.314 -2.585 1.00 0.00 ? 38 GLU A OE2 6 ATOM 7757 H H . GLU A 1 38 ? 22.620 3.613 1.623 1.00 0.00 ? 38 GLU A H 6 ATOM 7758 H HA . GLU A 1 38 ? 25.067 2.291 0.949 1.00 0.00 ? 38 GLU A HA 6 ATOM 7759 H HB2 . GLU A 1 38 ? 22.538 2.348 -0.125 1.00 0.00 ? 38 GLU A HB2 6 ATOM 7760 H HB3 . GLU A 1 38 ? 23.456 3.299 -1.284 1.00 0.00 ? 38 GLU A HB3 6 ATOM 7761 H HG2 . GLU A 1 38 ? 24.779 0.825 -0.477 1.00 0.00 ? 38 GLU A HG2 6 ATOM 7762 H HG3 . GLU A 1 38 ? 23.230 0.582 -1.283 1.00 0.00 ? 38 GLU A HG3 6 ATOM 7763 N N . ASP A 1 39 ? 24.751 5.463 0.356 1.00 0.00 ? 39 ASP A N 6 ATOM 7764 C CA . ASP A 1 39 ? 25.455 6.668 -0.068 1.00 0.00 ? 39 ASP A CA 6 ATOM 7765 C C . ASP A 1 39 ? 26.706 6.889 0.775 1.00 0.00 ? 39 ASP A C 6 ATOM 7766 O O . ASP A 1 39 ? 27.682 7.480 0.312 1.00 0.00 ? 39 ASP A O 6 ATOM 7767 C CB . ASP A 1 39 ? 24.534 7.885 0.036 1.00 0.00 ? 39 ASP A CB 6 ATOM 7768 C CG . ASP A 1 39 ? 24.988 9.030 -0.849 1.00 0.00 ? 39 ASP A CG 6 ATOM 7769 O OD1 . ASP A 1 39 ? 25.336 8.773 -2.020 1.00 0.00 ? 39 ASP A OD1 6 ATOM 7770 O OD2 . ASP A 1 39 ? 24.995 10.184 -0.369 1.00 0.00 ? 39 ASP A OD2 6 ATOM 7771 H H . ASP A 1 39 ? 23.895 5.551 0.827 1.00 0.00 ? 39 ASP A H 6 ATOM 7772 H HA . ASP A 1 39 ? 25.748 6.536 -1.099 1.00 0.00 ? 39 ASP A HA 6 ATOM 7773 H HB2 . ASP A 1 39 ? 23.536 7.601 -0.261 1.00 0.00 ? 39 ASP A HB2 6 ATOM 7774 H HB3 . ASP A 1 39 ? 24.517 8.229 1.059 1.00 0.00 ? 39 ASP A HB3 6 ATOM 7775 N N . ASP A 1 40 ? 26.671 6.412 2.015 1.00 0.00 ? 40 ASP A N 6 ATOM 7776 C CA . ASP A 1 40 ? 27.802 6.558 2.923 1.00 0.00 ? 40 ASP A CA 6 ATOM 7777 C C . ASP A 1 40 ? 28.531 5.229 3.100 1.00 0.00 ? 40 ASP A C 6 ATOM 7778 O O . ASP A 1 40 ? 28.362 4.306 2.304 1.00 0.00 ? 40 ASP A O 6 ATOM 7779 C CB . ASP A 1 40 ? 27.330 7.079 4.281 1.00 0.00 ? 40 ASP A CB 6 ATOM 7780 C CG . ASP A 1 40 ? 28.302 8.071 4.889 1.00 0.00 ? 40 ASP A CG 6 ATOM 7781 O OD1 . ASP A 1 40 ? 28.680 9.036 4.193 1.00 0.00 ? 40 ASP A OD1 6 ATOM 7782 O OD2 . ASP A 1 40 ? 28.686 7.882 6.063 1.00 0.00 ? 40 ASP A OD2 6 ATOM 7783 H H . ASP A 1 40 ? 25.864 5.951 2.327 1.00 0.00 ? 40 ASP A H 6 ATOM 7784 H HA . ASP A 1 40 ? 28.484 7.274 2.490 1.00 0.00 ? 40 ASP A HA 6 ATOM 7785 H HB2 . ASP A 1 40 ? 26.375 7.568 4.160 1.00 0.00 ? 40 ASP A HB2 6 ATOM 7786 H HB3 . ASP A 1 40 ? 27.220 6.247 4.960 1.00 0.00 ? 40 ASP A HB3 6 ATOM 7787 N N . ASP A 1 41 ? 29.343 5.141 4.148 1.00 0.00 ? 41 ASP A N 6 ATOM 7788 C CA . ASP A 1 41 ? 30.099 3.926 4.430 1.00 0.00 ? 41 ASP A CA 6 ATOM 7789 C C . ASP A 1 41 ? 30.407 3.810 5.918 1.00 0.00 ? 41 ASP A C 6 ATOM 7790 O O . ASP A 1 41 ? 31.373 4.458 6.375 1.00 0.00 ? 41 ASP A O 6 ATOM 7791 C CB . ASP A 1 41 ? 31.399 3.911 3.624 1.00 0.00 ? 41 ASP A CB 6 ATOM 7792 C CG . ASP A 1 41 ? 31.242 3.218 2.285 1.00 0.00 ? 41 ASP A CG 6 ATOM 7793 O OD1 . ASP A 1 41 ? 30.892 3.903 1.301 1.00 0.00 ? 41 ASP A OD1 6 ATOM 7794 O OD2 . ASP A 1 41 ? 31.468 1.991 2.221 1.00 0.00 ? 41 ASP A OD2 6 ATOM 7795 O OXT . ASP A 1 41 ? 29.681 3.071 6.616 1.00 0.00 ? 41 ASP A OXT 6 ATOM 7796 H H . ASP A 1 41 ? 29.438 5.912 4.747 1.00 0.00 ? 41 ASP A H 6 ATOM 7797 H HA . ASP A 1 41 ? 29.492 3.083 4.133 1.00 0.00 ? 41 ASP A HA 6 ATOM 7798 H HB2 . ASP A 1 41 ? 31.717 4.928 3.447 1.00 0.00 ? 41 ASP A HB2 6 ATOM 7799 H HB3 . ASP A 1 41 ? 32.159 3.393 4.190 1.00 0.00 ? 41 ASP A HB3 6 ATOM 7800 N N . ALA B 1 1 ? 32.787 -7.569 -4.255 1.00 0.00 ? 1 ALA B N 6 ATOM 7801 C CA . ALA B 1 1 ? 31.677 -6.856 -3.570 1.00 0.00 ? 1 ALA B CA 6 ATOM 7802 C C . ALA B 1 1 ? 30.832 -7.821 -2.747 1.00 0.00 ? 1 ALA B C 6 ATOM 7803 O O . ALA B 1 1 ? 29.967 -8.515 -3.282 1.00 0.00 ? 1 ALA B O 6 ATOM 7804 C CB . ALA B 1 1 ? 30.810 -6.130 -4.587 1.00 0.00 ? 1 ALA B CB 6 ATOM 7805 H H1 . ALA B 1 1 ? 33.061 -8.376 -3.657 1.00 0.00 ? 1 ALA B H1 6 ATOM 7806 H H2 . ALA B 1 1 ? 32.435 -7.888 -5.180 1.00 0.00 ? 1 ALA B H2 6 ATOM 7807 H H3 . ALA B 1 1 ? 33.573 -6.900 -4.366 1.00 0.00 ? 1 ALA B H3 6 ATOM 7808 H HA . ALA B 1 1 ? 32.106 -6.117 -2.909 1.00 0.00 ? 1 ALA B HA 6 ATOM 7809 H HB1 . ALA B 1 1 ? 29.778 -6.417 -4.450 1.00 0.00 ? 1 ALA B HB1 6 ATOM 7810 H HB2 . ALA B 1 1 ? 30.909 -5.064 -4.451 1.00 0.00 ? 1 ALA B HB2 6 ATOM 7811 H HB3 . ALA B 1 1 ? 31.126 -6.396 -5.585 1.00 0.00 ? 1 ALA B HB3 6 ATOM 7812 N N . LEU B 1 2 ? 31.087 -7.860 -1.443 1.00 0.00 ? 2 LEU B N 6 ATOM 7813 C CA . LEU B 1 2 ? 30.348 -8.741 -0.546 1.00 0.00 ? 2 LEU B CA 6 ATOM 7814 C C . LEU B 1 2 ? 28.988 -8.145 -0.197 1.00 0.00 ? 2 LEU B C 6 ATOM 7815 O O . LEU B 1 2 ? 28.047 -8.869 0.125 1.00 0.00 ? 2 LEU B O 6 ATOM 7816 C CB . LEU B 1 2 ? 31.152 -8.992 0.732 1.00 0.00 ? 2 LEU B CB 6 ATOM 7817 C CG . LEU B 1 2 ? 30.743 -10.238 1.519 1.00 0.00 ? 2 LEU B CG 6 ATOM 7818 C CD1 . LEU B 1 2 ? 31.952 -11.121 1.785 1.00 0.00 ? 2 LEU B CD1 6 ATOM 7819 C CD2 . LEU B 1 2 ? 30.068 -9.846 2.825 1.00 0.00 ? 2 LEU B CD2 6 ATOM 7820 H H . LEU B 1 2 ? 31.789 -7.283 -1.076 1.00 0.00 ? 2 LEU B H 6 ATOM 7821 H HA . LEU B 1 2 ? 30.197 -9.681 -1.055 1.00 0.00 ? 2 LEU B HA 6 ATOM 7822 H HB2 . LEU B 1 2 ? 32.194 -9.085 0.463 1.00 0.00 ? 2 LEU B HB2 6 ATOM 7823 H HB3 . LEU B 1 2 ? 31.039 -8.134 1.377 1.00 0.00 ? 2 LEU B HB3 6 ATOM 7824 H HG . LEU B 1 2 ? 30.037 -10.810 0.935 1.00 0.00 ? 2 LEU B HG 6 ATOM 7825 H HD11 . LEU B 1 2 ? 32.645 -11.043 0.960 1.00 0.00 ? 2 LEU B HD11 6 ATOM 7826 H HD12 . LEU B 1 2 ? 32.439 -10.799 2.695 1.00 0.00 ? 2 LEU B HD12 6 ATOM 7827 H HD13 . LEU B 1 2 ? 31.633 -12.147 1.892 1.00 0.00 ? 2 LEU B HD13 6 ATOM 7828 H HD21 . LEU B 1 2 ? 29.346 -9.067 2.636 1.00 0.00 ? 2 LEU B HD21 6 ATOM 7829 H HD22 . LEU B 1 2 ? 29.570 -10.706 3.245 1.00 0.00 ? 2 LEU B HD22 6 ATOM 7830 H HD23 . LEU B 1 2 ? 30.813 -9.486 3.520 1.00 0.00 ? 2 LEU B HD23 6 ATOM 7831 N N . LYS B 1 3 ? 28.894 -6.821 -0.262 1.00 0.00 ? 3 LYS B N 6 ATOM 7832 C CA . LYS B 1 3 ? 27.648 -6.128 0.047 1.00 0.00 ? 3 LYS B CA 6 ATOM 7833 C C . LYS B 1 3 ? 26.849 -5.853 -1.222 1.00 0.00 ? 3 LYS B C 6 ATOM 7834 O O . LYS B 1 3 ? 26.054 -4.915 -1.276 1.00 0.00 ? 3 LYS B O 6 ATOM 7835 C CB . LYS B 1 3 ? 27.938 -4.815 0.776 1.00 0.00 ? 3 LYS B CB 6 ATOM 7836 C CG . LYS B 1 3 ? 28.089 -4.975 2.280 1.00 0.00 ? 3 LYS B CG 6 ATOM 7837 C CD . LYS B 1 3 ? 27.952 -3.641 2.998 1.00 0.00 ? 3 LYS B CD 6 ATOM 7838 C CE . LYS B 1 3 ? 28.659 -3.658 4.344 1.00 0.00 ? 3 LYS B CE 6 ATOM 7839 N NZ . LYS B 1 3 ? 27.767 -4.135 5.435 1.00 0.00 ? 3 LYS B NZ 6 ATOM 7840 H H . LYS B 1 3 ? 29.679 -6.297 -0.525 1.00 0.00 ? 3 LYS B H 6 ATOM 7841 H HA . LYS B 1 3 ? 27.065 -6.767 0.694 1.00 0.00 ? 3 LYS B HA 6 ATOM 7842 H HB2 . LYS B 1 3 ? 28.854 -4.395 0.386 1.00 0.00 ? 3 LYS B HB2 6 ATOM 7843 H HB3 . LYS B 1 3 ? 27.128 -4.126 0.588 1.00 0.00 ? 3 LYS B HB3 6 ATOM 7844 H HG2 . LYS B 1 3 ? 27.325 -5.646 2.640 1.00 0.00 ? 3 LYS B HG2 6 ATOM 7845 H HG3 . LYS B 1 3 ? 29.064 -5.388 2.492 1.00 0.00 ? 3 LYS B HG3 6 ATOM 7846 H HD2 . LYS B 1 3 ? 28.385 -2.866 2.385 1.00 0.00 ? 3 LYS B HD2 6 ATOM 7847 H HD3 . LYS B 1 3 ? 26.903 -3.436 3.155 1.00 0.00 ? 3 LYS B HD3 6 ATOM 7848 H HE2 . LYS B 1 3 ? 29.514 -4.314 4.277 1.00 0.00 ? 3 LYS B HE2 6 ATOM 7849 H HE3 . LYS B 1 3 ? 28.991 -2.657 4.573 1.00 0.00 ? 3 LYS B HE3 6 ATOM 7850 H HZ1 . LYS B 1 3 ? 26.910 -3.546 5.480 1.00 0.00 ? 3 LYS B HZ1 6 ATOM 7851 H HZ2 . LYS B 1 3 ? 27.487 -5.122 5.263 1.00 0.00 ? 3 LYS B HZ2 6 ATOM 7852 H HZ3 . LYS B 1 3 ? 28.260 -4.082 6.349 1.00 0.00 ? 3 LYS B HZ3 6 ATOM 7853 N N . LYS B 1 4 ? 27.064 -6.677 -2.242 1.00 0.00 ? 4 LYS B N 6 ATOM 7854 C CA . LYS B 1 4 ? 26.364 -6.523 -3.512 1.00 0.00 ? 4 LYS B CA 6 ATOM 7855 C C . LYS B 1 4 ? 24.892 -6.894 -3.369 1.00 0.00 ? 4 LYS B C 6 ATOM 7856 O O . LYS B 1 4 ? 24.021 -6.262 -3.967 1.00 0.00 ? 4 LYS B O 6 ATOM 7857 C CB . LYS B 1 4 ? 27.019 -7.391 -4.588 1.00 0.00 ? 4 LYS B CB 6 ATOM 7858 C CG . LYS B 1 4 ? 26.974 -6.774 -5.977 1.00 0.00 ? 4 LYS B CG 6 ATOM 7859 C CD . LYS B 1 4 ? 26.119 -7.600 -6.925 1.00 0.00 ? 4 LYS B CD 6 ATOM 7860 C CE . LYS B 1 4 ? 25.083 -6.740 -7.632 1.00 0.00 ? 4 LYS B CE 6 ATOM 7861 N NZ . LYS B 1 4 ? 25.518 -6.363 -9.005 1.00 0.00 ? 4 LYS B NZ 6 ATOM 7862 H H . LYS B 1 4 ? 27.711 -7.407 -2.139 1.00 0.00 ? 4 LYS B H 6 ATOM 7863 H HA . LYS B 1 4 ? 26.435 -5.486 -3.805 1.00 0.00 ? 4 LYS B HA 6 ATOM 7864 H HB2 . LYS B 1 4 ? 28.053 -7.553 -4.323 1.00 0.00 ? 4 LYS B HB2 6 ATOM 7865 H HB3 . LYS B 1 4 ? 26.511 -8.343 -4.624 1.00 0.00 ? 4 LYS B HB3 6 ATOM 7866 H HG2 . LYS B 1 4 ? 26.557 -5.781 -5.907 1.00 0.00 ? 4 LYS B HG2 6 ATOM 7867 H HG3 . LYS B 1 4 ? 27.979 -6.718 -6.368 1.00 0.00 ? 4 LYS B HG3 6 ATOM 7868 H HD2 . LYS B 1 4 ? 26.758 -8.056 -7.665 1.00 0.00 ? 4 LYS B HD2 6 ATOM 7869 H HD3 . LYS B 1 4 ? 25.611 -8.368 -6.360 1.00 0.00 ? 4 LYS B HD3 6 ATOM 7870 H HE2 . LYS B 1 4 ? 24.159 -7.293 -7.697 1.00 0.00 ? 4 LYS B HE2 6 ATOM 7871 H HE3 . LYS B 1 4 ? 24.925 -5.841 -7.054 1.00 0.00 ? 4 LYS B HE3 6 ATOM 7872 H HZ1 . LYS B 1 4 ? 26.335 -6.939 -9.292 1.00 0.00 ? 4 LYS B HZ1 6 ATOM 7873 H HZ2 . LYS B 1 4 ? 24.743 -6.518 -9.681 1.00 0.00 ? 4 LYS B HZ2 6 ATOM 7874 H HZ3 . LYS B 1 4 ? 25.790 -5.359 -9.032 1.00 0.00 ? 4 LYS B HZ3 6 ATOM 7875 N N . HIS B 1 5 ? 24.621 -7.923 -2.573 1.00 0.00 ? 5 HIS B N 6 ATOM 7876 C CA . HIS B 1 5 ? 23.253 -8.379 -2.352 1.00 0.00 ? 5 HIS B CA 6 ATOM 7877 C C . HIS B 1 5 ? 22.375 -7.238 -1.848 1.00 0.00 ? 5 HIS B C 6 ATOM 7878 O O . HIS B 1 5 ? 21.165 -7.222 -2.081 1.00 0.00 ? 5 HIS B O 6 ATOM 7879 C CB . HIS B 1 5 ? 23.233 -9.533 -1.348 1.00 0.00 ? 5 HIS B CB 6 ATOM 7880 C CG . HIS B 1 5 ? 23.599 -9.123 0.044 1.00 0.00 ? 5 HIS B CG 6 ATOM 7881 N ND1 . HIS B 1 5 ? 22.868 -9.490 1.154 1.00 0.00 ? 5 HIS B ND1 6 ATOM 7882 C CD2 . HIS B 1 5 ? 24.627 -8.371 0.505 1.00 0.00 ? 5 HIS B CD2 6 ATOM 7883 C CE1 . HIS B 1 5 ? 23.430 -8.982 2.237 1.00 0.00 ? 5 HIS B CE1 6 ATOM 7884 N NE2 . HIS B 1 5 ? 24.499 -8.301 1.870 1.00 0.00 ? 5 HIS B NE2 6 ATOM 7885 H H . HIS B 1 5 ? 25.358 -8.387 -2.123 1.00 0.00 ? 5 HIS B H 6 ATOM 7886 H HA . HIS B 1 5 ? 22.863 -8.727 -3.296 1.00 0.00 ? 5 HIS B HA 6 ATOM 7887 H HB2 . HIS B 1 5 ? 22.241 -9.959 -1.319 1.00 0.00 ? 5 HIS B HB2 6 ATOM 7888 H HB3 . HIS B 1 5 ? 23.935 -10.290 -1.668 1.00 0.00 ? 5 HIS B HB3 6 ATOM 7889 H HD1 . HIS B 1 5 ? 22.057 -10.040 1.149 1.00 0.00 ? 5 HIS B HD1 6 ATOM 7890 H HD2 . HIS B 1 5 ? 25.405 -7.914 -0.091 1.00 0.00 ? 5 HIS B HD2 6 ATOM 7891 H HE1 . HIS B 1 5 ? 23.076 -9.105 3.249 1.00 0.00 ? 5 HIS B HE1 6 ATOM 7892 H HE2 . HIS B 1 5 ? 25.102 -7.821 2.476 1.00 0.00 ? 5 HIS B HE2 6 ATOM 7893 N N . HIS B 1 6 ? 22.990 -6.283 -1.159 1.00 0.00 ? 6 HIS B N 6 ATOM 7894 C CA . HIS B 1 6 ? 22.265 -5.137 -0.623 1.00 0.00 ? 6 HIS B CA 6 ATOM 7895 C C . HIS B 1 6 ? 21.575 -4.361 -1.740 1.00 0.00 ? 6 HIS B C 6 ATOM 7896 O O . HIS B 1 6 ? 20.414 -3.973 -1.613 1.00 0.00 ? 6 HIS B O 6 ATOM 7897 C CB . HIS B 1 6 ? 23.215 -4.216 0.142 1.00 0.00 ? 6 HIS B CB 6 ATOM 7898 C CG . HIS B 1 6 ? 23.147 -4.386 1.628 1.00 0.00 ? 6 HIS B CG 6 ATOM 7899 N ND1 . HIS B 1 6 ? 22.767 -5.566 2.235 1.00 0.00 ? 6 HIS B ND1 6 ATOM 7900 C CD2 . HIS B 1 6 ? 23.414 -3.518 2.633 1.00 0.00 ? 6 HIS B CD2 6 ATOM 7901 C CE1 . HIS B 1 6 ? 22.803 -5.416 3.547 1.00 0.00 ? 6 HIS B CE1 6 ATOM 7902 N NE2 . HIS B 1 6 ? 23.193 -4.183 3.813 1.00 0.00 ? 6 HIS B NE2 6 ATOM 7903 H H . HIS B 1 6 ? 23.956 -6.351 -1.007 1.00 0.00 ? 6 HIS B H 6 ATOM 7904 H HA . HIS B 1 6 ? 21.512 -5.510 0.056 1.00 0.00 ? 6 HIS B HA 6 ATOM 7905 H HB2 . HIS B 1 6 ? 24.229 -4.418 -0.169 1.00 0.00 ? 6 HIS B HB2 6 ATOM 7906 H HB3 . HIS B 1 6 ? 22.972 -3.188 -0.087 1.00 0.00 ? 6 HIS B HB3 6 ATOM 7907 H HD1 . HIS B 1 6 ? 22.509 -6.390 1.771 1.00 0.00 ? 6 HIS B HD1 6 ATOM 7908 H HD2 . HIS B 1 6 ? 23.741 -2.494 2.526 1.00 0.00 ? 6 HIS B HD2 6 ATOM 7909 H HE1 . HIS B 1 6 ? 22.557 -6.172 4.276 1.00 0.00 ? 6 HIS B HE1 6 ATOM 7910 H HE2 . HIS B 1 6 ? 23.305 -3.806 4.711 1.00 0.00 ? 6 HIS B HE2 6 ATOM 7911 N N . GLU B 1 7 ? 22.295 -4.140 -2.834 1.00 0.00 ? 7 GLU B N 6 ATOM 7912 C CA . GLU B 1 7 ? 21.748 -3.413 -3.974 1.00 0.00 ? 7 GLU B CA 6 ATOM 7913 C C . GLU B 1 7 ? 20.495 -4.102 -4.501 1.00 0.00 ? 7 GLU B C 6 ATOM 7914 O O . GLU B 1 7 ? 19.621 -3.462 -5.085 1.00 0.00 ? 7 GLU B O 6 ATOM 7915 C CB . GLU B 1 7 ? 22.791 -3.299 -5.086 1.00 0.00 ? 7 GLU B CB 6 ATOM 7916 C CG . GLU B 1 7 ? 22.780 -1.956 -5.796 1.00 0.00 ? 7 GLU B CG 6 ATOM 7917 C CD . GLU B 1 7 ? 21.615 -1.814 -6.756 1.00 0.00 ? 7 GLU B CD 6 ATOM 7918 O OE1 . GLU B 1 7 ? 21.127 -2.849 -7.256 1.00 0.00 ? 7 GLU B OE1 6 ATOM 7919 O OE2 . GLU B 1 7 ? 21.189 -0.667 -7.007 1.00 0.00 ? 7 GLU B OE2 6 ATOM 7920 H H . GLU B 1 7 ? 23.216 -4.477 -2.879 1.00 0.00 ? 7 GLU B H 6 ATOM 7921 H HA . GLU B 1 7 ? 21.484 -2.422 -3.636 1.00 0.00 ? 7 GLU B HA 6 ATOM 7922 H HB2 . GLU B 1 7 ? 23.772 -3.449 -4.660 1.00 0.00 ? 7 GLU B HB2 6 ATOM 7923 H HB3 . GLU B 1 7 ? 22.605 -4.071 -5.818 1.00 0.00 ? 7 GLU B HB3 6 ATOM 7924 H HG2 . GLU B 1 7 ? 22.714 -1.172 -5.056 1.00 0.00 ? 7 GLU B HG2 6 ATOM 7925 H HG3 . GLU B 1 7 ? 23.700 -1.849 -6.352 1.00 0.00 ? 7 GLU B HG3 6 ATOM 7926 N N . ASN B 1 8 ? 20.411 -5.409 -4.281 1.00 0.00 ? 8 ASN B N 6 ATOM 7927 C CA . ASN B 1 8 ? 19.259 -6.184 -4.727 1.00 0.00 ? 8 ASN B CA 6 ATOM 7928 C C . ASN B 1 8 ? 18.043 -5.853 -3.874 1.00 0.00 ? 8 ASN B C 6 ATOM 7929 O O . ASN B 1 8 ? 17.022 -5.387 -4.383 1.00 0.00 ? 8 ASN B O 6 ATOM 7930 C CB . ASN B 1 8 ? 19.561 -7.682 -4.654 1.00 0.00 ? 8 ASN B CB 6 ATOM 7931 C CG . ASN B 1 8 ? 20.806 -8.059 -5.434 1.00 0.00 ? 8 ASN B CG 6 ATOM 7932 O OD1 . ASN B 1 8 ? 21.855 -7.432 -5.292 1.00 0.00 ? 8 ASN B OD1 6 ATOM 7933 N ND2 . ASN B 1 8 ? 20.694 -9.090 -6.263 1.00 0.00 ? 8 ASN B ND2 6 ATOM 7934 H H . ASN B 1 8 ? 21.137 -5.861 -3.803 1.00 0.00 ? 8 ASN B H 6 ATOM 7935 H HA . ASN B 1 8 ? 19.052 -5.912 -5.750 1.00 0.00 ? 8 ASN B HA 6 ATOM 7936 H HB2 . ASN B 1 8 ? 19.706 -7.964 -3.621 1.00 0.00 ? 8 ASN B HB2 6 ATOM 7937 H HB3 . ASN B 1 8 ? 18.725 -8.232 -5.059 1.00 0.00 ? 8 ASN B HB3 6 ATOM 7938 H HD21 . ASN B 1 8 ? 19.828 -9.543 -6.325 1.00 0.00 ? 8 ASN B HD21 6 ATOM 7939 H HD22 . ASN B 1 8 ? 21.484 -9.356 -6.779 1.00 0.00 ? 8 ASN B HD22 6 ATOM 7940 N N . GLU B 1 9 ? 18.163 -6.076 -2.571 1.00 0.00 ? 9 GLU B N 6 ATOM 7941 C CA . GLU B 1 9 ? 17.077 -5.780 -1.648 1.00 0.00 ? 9 GLU B CA 6 ATOM 7942 C C . GLU B 1 9 ? 16.671 -4.312 -1.761 1.00 0.00 ? 9 GLU B C 6 ATOM 7943 O O . GLU B 1 9 ? 15.562 -3.935 -1.387 1.00 0.00 ? 9 GLU B O 6 ATOM 7944 C CB . GLU B 1 9 ? 17.497 -6.097 -0.211 1.00 0.00 ? 9 GLU B CB 6 ATOM 7945 C CG . GLU B 1 9 ? 16.624 -7.143 0.462 1.00 0.00 ? 9 GLU B CG 6 ATOM 7946 C CD . GLU B 1 9 ? 16.812 -7.180 1.965 1.00 0.00 ? 9 GLU B CD 6 ATOM 7947 O OE1 . GLU B 1 9 ? 16.891 -6.097 2.580 1.00 0.00 ? 9 GLU B OE1 6 ATOM 7948 O OE2 . GLU B 1 9 ? 16.879 -8.293 2.528 1.00 0.00 ? 9 GLU B OE2 6 ATOM 7949 H H . GLU B 1 9 ? 19.006 -6.434 -2.220 1.00 0.00 ? 9 GLU B H 6 ATOM 7950 H HA . GLU B 1 9 ? 16.234 -6.398 -1.915 1.00 0.00 ? 9 GLU B HA 6 ATOM 7951 H HB2 . GLU B 1 9 ? 18.515 -6.460 -0.217 1.00 0.00 ? 9 GLU B HB2 6 ATOM 7952 H HB3 . GLU B 1 9 ? 17.451 -5.190 0.374 1.00 0.00 ? 9 GLU B HB3 6 ATOM 7953 H HG2 . GLU B 1 9 ? 15.589 -6.919 0.249 1.00 0.00 ? 9 GLU B HG2 6 ATOM 7954 H HG3 . GLU B 1 9 ? 16.871 -8.114 0.057 1.00 0.00 ? 9 GLU B HG3 6 ATOM 7955 N N . ILE B 1 10 ? 17.582 -3.490 -2.281 1.00 0.00 ? 10 ILE B N 6 ATOM 7956 C CA . ILE B 1 10 ? 17.326 -2.067 -2.448 1.00 0.00 ? 10 ILE B CA 6 ATOM 7957 C C . ILE B 1 10 ? 16.303 -1.831 -3.565 1.00 0.00 ? 10 ILE B C 6 ATOM 7958 O O . ILE B 1 10 ? 15.297 -1.149 -3.368 1.00 0.00 ? 10 ILE B O 6 ATOM 7959 C CB . ILE B 1 10 ? 18.668 -1.304 -2.711 1.00 0.00 ? 10 ILE B CB 6 ATOM 7960 C CG1 . ILE B 1 10 ? 18.876 -0.228 -1.647 1.00 0.00 ? 10 ILE B CG1 6 ATOM 7961 C CG2 . ILE B 1 10 ? 18.762 -0.688 -4.110 1.00 0.00 ? 10 ILE B CG2 6 ATOM 7962 C CD1 . ILE B 1 10 ? 20.277 -0.216 -1.077 1.00 0.00 ? 10 ILE B CD1 6 ATOM 7963 H H . ILE B 1 10 ? 18.448 -3.848 -2.560 1.00 0.00 ? 10 ILE B H 6 ATOM 7964 H HA . ILE B 1 10 ? 16.908 -1.701 -1.521 1.00 0.00 ? 10 ILE B HA 6 ATOM 7965 H HB . ILE B 1 10 ? 19.469 -2.022 -2.623 1.00 0.00 ? 10 ILE B HB 6 ATOM 7966 H HG12 . ILE B 1 10 ? 18.686 0.742 -2.082 1.00 0.00 ? 10 ILE B HG12 6 ATOM 7967 H HG13 . ILE B 1 10 ? 18.185 -0.396 -0.834 1.00 0.00 ? 10 ILE B HG13 6 ATOM 7968 H HG21 . ILE B 1 10 ? 18.682 -1.469 -4.852 1.00 0.00 ? 10 ILE B HG21 6 ATOM 7969 H HG22 . ILE B 1 10 ? 17.959 0.021 -4.246 1.00 0.00 ? 10 ILE B HG22 6 ATOM 7970 H HG23 . ILE B 1 10 ? 19.710 -0.184 -4.218 1.00 0.00 ? 10 ILE B HG23 6 ATOM 7971 H HD11 . ILE B 1 10 ? 20.772 -1.146 -1.318 1.00 0.00 ? 10 ILE B HD11 6 ATOM 7972 H HD12 . ILE B 1 10 ? 20.832 0.607 -1.503 1.00 0.00 ? 10 ILE B HD12 6 ATOM 7973 H HD13 . ILE B 1 10 ? 20.229 -0.100 -0.004 1.00 0.00 ? 10 ILE B HD13 6 ATOM 7974 N N . SER B 1 11 ? 16.576 -2.402 -4.735 1.00 0.00 ? 11 SER B N 6 ATOM 7975 C CA . SER B 1 11 ? 15.687 -2.257 -5.881 1.00 0.00 ? 11 SER B CA 6 ATOM 7976 C C . SER B 1 11 ? 14.327 -2.886 -5.602 1.00 0.00 ? 11 SER B C 6 ATOM 7977 O O . SER B 1 11 ? 13.325 -2.519 -6.217 1.00 0.00 ? 11 SER B O 6 ATOM 7978 C CB . SER B 1 11 ? 16.313 -2.896 -7.121 1.00 0.00 ? 11 SER B CB 6 ATOM 7979 O OG . SER B 1 11 ? 16.462 -1.948 -8.164 1.00 0.00 ? 11 SER B OG 6 ATOM 7980 H H . SER B 1 11 ? 17.394 -2.934 -4.829 1.00 0.00 ? 11 SER B H 6 ATOM 7981 H HA . SER B 1 11 ? 15.551 -1.201 -6.062 1.00 0.00 ? 11 SER B HA 6 ATOM 7982 H HB2 . SER B 1 11 ? 17.287 -3.289 -6.869 1.00 0.00 ? 11 SER B HB2 6 ATOM 7983 H HB3 . SER B 1 11 ? 15.680 -3.699 -7.468 1.00 0.00 ? 11 SER B HB3 6 ATOM 7984 H HG . SER B 1 11 ? 16.759 -1.112 -7.798 1.00 0.00 ? 11 SER B HG 6 ATOM 7985 N N . HIS B 1 12 ? 14.295 -3.836 -4.673 1.00 0.00 ? 12 HIS B N 6 ATOM 7986 C CA . HIS B 1 12 ? 13.056 -4.513 -4.322 1.00 0.00 ? 12 HIS B CA 6 ATOM 7987 C C . HIS B 1 12 ? 12.189 -3.614 -3.433 1.00 0.00 ? 12 HIS B C 6 ATOM 7988 O O . HIS B 1 12 ? 10.984 -3.491 -3.655 1.00 0.00 ? 12 HIS B O 6 ATOM 7989 C CB . HIS B 1 12 ? 13.376 -5.877 -3.664 1.00 0.00 ? 12 HIS B CB 6 ATOM 7990 C CG . HIS B 1 12 ? 12.661 -6.172 -2.376 1.00 0.00 ? 12 HIS B CG 6 ATOM 7991 N ND1 . HIS B 1 12 ? 11.324 -6.505 -2.312 1.00 0.00 ? 12 HIS B ND1 6 ATOM 7992 C CD2 . HIS B 1 12 ? 13.112 -6.183 -1.102 1.00 0.00 ? 12 HIS B CD2 6 ATOM 7993 C CE1 . HIS B 1 12 ? 10.983 -6.708 -1.050 1.00 0.00 ? 12 HIS B CE1 6 ATOM 7994 N NE2 . HIS B 1 12 ? 12.052 -6.520 -0.298 1.00 0.00 ? 12 HIS B NE2 6 ATOM 7995 H H . HIS B 1 12 ? 15.124 -4.090 -4.215 1.00 0.00 ? 12 HIS B H 6 ATOM 7996 H HA . HIS B 1 12 ? 12.518 -4.692 -5.242 1.00 0.00 ? 12 HIS B HA 6 ATOM 7997 H HB2 . HIS B 1 12 ? 13.122 -6.662 -4.358 1.00 0.00 ? 12 HIS B HB2 6 ATOM 7998 H HB3 . HIS B 1 12 ? 14.438 -5.920 -3.467 1.00 0.00 ? 12 HIS B HB3 6 ATOM 7999 H HD1 . HIS B 1 12 ? 10.716 -6.580 -3.076 1.00 0.00 ? 12 HIS B HD1 6 ATOM 8000 H HD2 . HIS B 1 12 ? 14.121 -5.965 -0.779 1.00 0.00 ? 12 HIS B HD2 6 ATOM 8001 H HE1 . HIS B 1 12 ? 10.001 -6.982 -0.698 1.00 0.00 ? 12 HIS B HE1 6 ATOM 8002 H HE2 . HIS B 1 12 ? 12.079 -6.607 0.678 1.00 0.00 ? 12 HIS B HE2 6 ATOM 8003 N N . HIS B 1 13 ? 12.806 -2.977 -2.439 1.00 0.00 ? 13 HIS B N 6 ATOM 8004 C CA . HIS B 1 13 ? 12.069 -2.088 -1.549 1.00 0.00 ? 13 HIS B CA 6 ATOM 8005 C C . HIS B 1 13 ? 11.540 -0.887 -2.323 1.00 0.00 ? 13 HIS B C 6 ATOM 8006 O O . HIS B 1 13 ? 10.538 -0.284 -1.942 1.00 0.00 ? 13 HIS B O 6 ATOM 8007 C CB . HIS B 1 13 ? 12.950 -1.602 -0.399 1.00 0.00 ? 13 HIS B CB 6 ATOM 8008 C CG . HIS B 1 13 ? 13.617 -2.691 0.372 1.00 0.00 ? 13 HIS B CG 6 ATOM 8009 N ND1 . HIS B 1 13 ? 13.075 -3.948 0.543 1.00 0.00 ? 13 HIS B ND1 6 ATOM 8010 C CD2 . HIS B 1 13 ? 14.796 -2.696 1.031 1.00 0.00 ? 13 HIS B CD2 6 ATOM 8011 C CE1 . HIS B 1 13 ? 13.895 -4.680 1.277 1.00 0.00 ? 13 HIS B CE1 6 ATOM 8012 N NE2 . HIS B 1 13 ? 14.947 -3.943 1.584 1.00 0.00 ? 13 HIS B NE2 6 ATOM 8013 H H . HIS B 1 13 ? 13.770 -3.099 -2.310 1.00 0.00 ? 13 HIS B H 6 ATOM 8014 H HA . HIS B 1 13 ? 11.233 -2.640 -1.146 1.00 0.00 ? 13 HIS B HA 6 ATOM 8015 H HB2 . HIS B 1 13 ? 13.723 -0.964 -0.795 1.00 0.00 ? 13 HIS B HB2 6 ATOM 8016 H HB3 . HIS B 1 13 ? 12.343 -1.033 0.289 1.00 0.00 ? 13 HIS B HB3 6 ATOM 8017 H HD1 . HIS B 1 13 ? 12.219 -4.256 0.181 1.00 0.00 ? 13 HIS B HD1 6 ATOM 8018 H HD2 . HIS B 1 13 ? 15.485 -1.868 1.107 1.00 0.00 ? 13 HIS B HD2 6 ATOM 8019 H HE1 . HIS B 1 13 ? 13.733 -5.706 1.574 1.00 0.00 ? 13 HIS B HE1 6 ATOM 8020 H HE2 . HIS B 1 13 ? 15.711 -4.241 2.122 1.00 0.00 ? 13 HIS B HE2 6 ATOM 8021 N N . ALA B 1 14 ? 12.222 -0.547 -3.414 1.00 0.00 ? 14 ALA B N 6 ATOM 8022 C CA . ALA B 1 14 ? 11.820 0.580 -4.244 1.00 0.00 ? 14 ALA B CA 6 ATOM 8023 C C . ALA B 1 14 ? 10.534 0.259 -4.988 1.00 0.00 ? 14 ALA B C 6 ATOM 8024 O O . ALA B 1 14 ? 9.547 0.987 -4.887 1.00 0.00 ? 14 ALA B O 6 ATOM 8025 C CB . ALA B 1 14 ? 12.928 0.940 -5.225 1.00 0.00 ? 14 ALA B CB 6 ATOM 8026 H H . ALA B 1 14 ? 13.014 -1.067 -3.666 1.00 0.00 ? 14 ALA B H 6 ATOM 8027 H HA . ALA B 1 14 ? 11.650 1.429 -3.598 1.00 0.00 ? 14 ALA B HA 6 ATOM 8028 H HB1 . ALA B 1 14 ? 13.882 0.901 -4.719 1.00 0.00 ? 14 ALA B HB1 6 ATOM 8029 H HB2 . ALA B 1 14 ? 12.926 0.236 -6.044 1.00 0.00 ? 14 ALA B HB2 6 ATOM 8030 H HB3 . ALA B 1 14 ? 12.761 1.936 -5.606 1.00 0.00 ? 14 ALA B HB3 6 ATOM 8031 N N . LYS B 1 15 ? 10.546 -0.849 -5.722 1.00 0.00 ? 15 LYS B N 6 ATOM 8032 C CA . LYS B 1 15 ? 9.371 -1.277 -6.465 1.00 0.00 ? 15 LYS B CA 6 ATOM 8033 C C . LYS B 1 15 ? 8.261 -1.716 -5.511 1.00 0.00 ? 15 LYS B C 6 ATOM 8034 O O . LYS B 1 15 ? 7.105 -1.851 -5.913 1.00 0.00 ? 15 LYS B O 6 ATOM 8035 C CB . LYS B 1 15 ? 9.730 -2.424 -7.413 1.00 0.00 ? 15 LYS B CB 6 ATOM 8036 C CG . LYS B 1 15 ? 9.717 -2.026 -8.880 1.00 0.00 ? 15 LYS B CG 6 ATOM 8037 C CD . LYS B 1 15 ? 10.712 -2.844 -9.687 1.00 0.00 ? 15 LYS B CD 6 ATOM 8038 C CE . LYS B 1 15 ? 11.073 -2.152 -10.991 1.00 0.00 ? 15 LYS B CE 6 ATOM 8039 N NZ . LYS B 1 15 ? 12.281 -1.293 -10.848 1.00 0.00 ? 15 LYS B NZ 6 ATOM 8040 H H . LYS B 1 15 ? 11.360 -1.397 -5.751 1.00 0.00 ? 15 LYS B H 6 ATOM 8041 H HA . LYS B 1 15 ? 9.021 -0.437 -7.045 1.00 0.00 ? 15 LYS B HA 6 ATOM 8042 H HB2 . LYS B 1 15 ? 10.718 -2.782 -7.167 1.00 0.00 ? 15 LYS B HB2 6 ATOM 8043 H HB3 . LYS B 1 15 ? 9.020 -3.226 -7.274 1.00 0.00 ? 15 LYS B HB3 6 ATOM 8044 H HG2 . LYS B 1 15 ? 8.727 -2.186 -9.279 1.00 0.00 ? 15 LYS B HG2 6 ATOM 8045 H HG3 . LYS B 1 15 ? 9.976 -0.979 -8.961 1.00 0.00 ? 15 LYS B HG3 6 ATOM 8046 H HD2 . LYS B 1 15 ? 11.610 -2.981 -9.103 1.00 0.00 ? 15 LYS B HD2 6 ATOM 8047 H HD3 . LYS B 1 15 ? 10.274 -3.807 -9.909 1.00 0.00 ? 15 LYS B HD3 6 ATOM 8048 H HE2 . LYS B 1 15 ? 11.266 -2.905 -11.742 1.00 0.00 ? 15 LYS B HE2 6 ATOM 8049 H HE3 . LYS B 1 15 ? 10.240 -1.539 -11.302 1.00 0.00 ? 15 LYS B HE3 6 ATOM 8050 H HZ1 . LYS B 1 15 ? 12.752 -1.487 -9.942 1.00 0.00 ? 15 LYS B HZ1 6 ATOM 8051 H HZ2 . LYS B 1 15 ? 12.949 -1.483 -11.621 1.00 0.00 ? 15 LYS B HZ2 6 ATOM 8052 H HZ3 . LYS B 1 15 ? 12.011 -0.289 -10.878 1.00 0.00 ? 15 LYS B HZ3 6 ATOM 8053 N N . GLU B 1 16 ? 8.617 -1.939 -4.245 1.00 0.00 ? 16 GLU B N 6 ATOM 8054 C CA . GLU B 1 16 ? 7.649 -2.362 -3.243 1.00 0.00 ? 16 GLU B CA 6 ATOM 8055 C C . GLU B 1 16 ? 6.915 -1.164 -2.651 1.00 0.00 ? 16 GLU B C 6 ATOM 8056 O O . GLU B 1 16 ? 5.732 -1.255 -2.332 1.00 0.00 ? 16 GLU B O 6 ATOM 8057 C CB . GLU B 1 16 ? 8.343 -3.153 -2.132 1.00 0.00 ? 16 GLU B CB 6 ATOM 8058 C CG . GLU B 1 16 ? 8.470 -4.637 -2.431 1.00 0.00 ? 16 GLU B CG 6 ATOM 8059 C CD . GLU B 1 16 ? 7.130 -5.300 -2.679 1.00 0.00 ? 16 GLU B CD 6 ATOM 8060 O OE1 . GLU B 1 16 ? 6.683 -5.316 -3.845 1.00 0.00 ? 16 GLU B OE1 6 ATOM 8061 O OE2 . GLU B 1 16 ? 6.526 -5.800 -1.707 1.00 0.00 ? 16 GLU B OE2 6 ATOM 8062 H H . GLU B 1 16 ? 9.551 -1.819 -3.978 1.00 0.00 ? 16 GLU B H 6 ATOM 8063 H HA . GLU B 1 16 ? 6.929 -3.000 -3.732 1.00 0.00 ? 16 GLU B HA 6 ATOM 8064 H HB2 . GLU B 1 16 ? 9.334 -2.749 -1.984 1.00 0.00 ? 16 GLU B HB2 6 ATOM 8065 H HB3 . GLU B 1 16 ? 7.778 -3.038 -1.218 1.00 0.00 ? 16 GLU B HB3 6 ATOM 8066 H HG2 . GLU B 1 16 ? 9.085 -4.763 -3.310 1.00 0.00 ? 16 GLU B HG2 6 ATOM 8067 H HG3 . GLU B 1 16 ? 8.945 -5.121 -1.589 1.00 0.00 ? 16 GLU B HG3 6 ATOM 8068 N N . ILE B 1 17 ? 7.614 -0.041 -2.509 1.00 0.00 ? 17 ILE B N 6 ATOM 8069 C CA . ILE B 1 17 ? 7.002 1.163 -1.961 1.00 0.00 ? 17 ILE B CA 6 ATOM 8070 C C . ILE B 1 17 ? 6.142 1.850 -3.015 1.00 0.00 ? 17 ILE B C 6 ATOM 8071 O O . ILE B 1 17 ? 5.098 2.424 -2.704 1.00 0.00 ? 17 ILE B O 6 ATOM 8072 C CB . ILE B 1 17 ? 8.064 2.148 -1.429 1.00 0.00 ? 17 ILE B CB 6 ATOM 8073 C CG1 . ILE B 1 17 ? 7.402 3.432 -0.908 1.00 0.00 ? 17 ILE B CG1 6 ATOM 8074 C CG2 . ILE B 1 17 ? 9.093 2.459 -2.507 1.00 0.00 ? 17 ILE B CG2 6 ATOM 8075 C CD1 . ILE B 1 17 ? 7.030 4.426 -1.990 1.00 0.00 ? 17 ILE B CD1 6 ATOM 8076 H H . ILE B 1 17 ? 8.559 -0.019 -2.784 1.00 0.00 ? 17 ILE B H 6 ATOM 8077 H HA . ILE B 1 17 ? 6.366 0.868 -1.136 1.00 0.00 ? 17 ILE B HA 6 ATOM 8078 H HB . ILE B 1 17 ? 8.581 1.666 -0.610 1.00 0.00 ? 17 ILE B HB 6 ATOM 8079 H HG12 . ILE B 1 17 ? 6.498 3.171 -0.377 1.00 0.00 ? 17 ILE B HG12 6 ATOM 8080 H HG13 . ILE B 1 17 ? 8.080 3.924 -0.226 1.00 0.00 ? 17 ILE B HG13 6 ATOM 8081 H HG21 . ILE B 1 17 ? 8.587 2.774 -3.408 1.00 0.00 ? 17 ILE B HG21 6 ATOM 8082 H HG22 . ILE B 1 17 ? 9.745 3.249 -2.166 1.00 0.00 ? 17 ILE B HG22 6 ATOM 8083 H HG23 . ILE B 1 17 ? 9.678 1.575 -2.714 1.00 0.00 ? 17 ILE B HG23 6 ATOM 8084 H HD11 . ILE B 1 17 ? 7.269 4.011 -2.958 1.00 0.00 ? 17 ILE B HD11 6 ATOM 8085 H HD12 . ILE B 1 17 ? 5.972 4.634 -1.939 1.00 0.00 ? 17 ILE B HD12 6 ATOM 8086 H HD13 . ILE B 1 17 ? 7.584 5.341 -1.844 1.00 0.00 ? 17 ILE B HD13 6 ATOM 8087 N N . GLU B 1 18 ? 6.583 1.775 -4.266 1.00 0.00 ? 18 GLU B N 6 ATOM 8088 C CA . GLU B 1 18 ? 5.847 2.377 -5.369 1.00 0.00 ? 18 GLU B CA 6 ATOM 8089 C C . GLU B 1 18 ? 4.674 1.490 -5.773 1.00 0.00 ? 18 GLU B C 6 ATOM 8090 O O . GLU B 1 18 ? 3.585 1.980 -6.077 1.00 0.00 ? 18 GLU B O 6 ATOM 8091 C CB . GLU B 1 18 ? 6.771 2.603 -6.567 1.00 0.00 ? 18 GLU B CB 6 ATOM 8092 C CG . GLU B 1 18 ? 6.993 4.070 -6.896 1.00 0.00 ? 18 GLU B CG 6 ATOM 8093 C CD . GLU B 1 18 ? 5.761 4.728 -7.484 1.00 0.00 ? 18 GLU B CD 6 ATOM 8094 O OE1 . GLU B 1 18 ? 4.638 4.330 -7.108 1.00 0.00 ? 18 GLU B OE1 6 ATOM 8095 O OE2 . GLU B 1 18 ? 5.918 5.642 -8.321 1.00 0.00 ? 18 GLU B OE2 6 ATOM 8096 H H . GLU B 1 18 ? 7.416 1.295 -4.452 1.00 0.00 ? 18 GLU B H 6 ATOM 8097 H HA . GLU B 1 18 ? 5.465 3.330 -5.034 1.00 0.00 ? 18 GLU B HA 6 ATOM 8098 H HB2 . GLU B 1 18 ? 7.730 2.154 -6.356 1.00 0.00 ? 18 GLU B HB2 6 ATOM 8099 H HB3 . GLU B 1 18 ? 6.341 2.123 -7.434 1.00 0.00 ? 18 GLU B HB3 6 ATOM 8100 H HG2 . GLU B 1 18 ? 7.263 4.592 -5.990 1.00 0.00 ? 18 GLU B HG2 6 ATOM 8101 H HG3 . GLU B 1 18 ? 7.800 4.147 -7.610 1.00 0.00 ? 18 GLU B HG3 6 ATOM 8102 N N . ARG B 1 19 ? 4.902 0.180 -5.764 1.00 0.00 ? 19 ARG B N 6 ATOM 8103 C CA . ARG B 1 19 ? 3.863 -0.775 -6.122 1.00 0.00 ? 19 ARG B CA 6 ATOM 8104 C C . ARG B 1 19 ? 2.836 -0.890 -5.004 1.00 0.00 ? 19 ARG B C 6 ATOM 8105 O O . ARG B 1 19 ? 1.666 -1.183 -5.248 1.00 0.00 ? 19 ARG B O 6 ATOM 8106 C CB . ARG B 1 19 ? 4.476 -2.147 -6.415 1.00 0.00 ? 19 ARG B CB 6 ATOM 8107 C CG . ARG B 1 19 ? 3.476 -3.158 -6.951 1.00 0.00 ? 19 ARG B CG 6 ATOM 8108 C CD . ARG B 1 19 ? 3.994 -3.842 -8.206 1.00 0.00 ? 19 ARG B CD 6 ATOM 8109 N NE . ARG B 1 19 ? 3.653 -3.099 -9.416 1.00 0.00 ? 19 ARG B NE 6 ATOM 8110 C CZ . ARG B 1 19 ? 2.415 -2.989 -9.887 1.00 0.00 ? 19 ARG B CZ 6 ATOM 8111 N NH1 . ARG B 1 19 ? 1.408 -3.571 -9.252 1.00 0.00 ? 19 ARG B NH1 6 ATOM 8112 N NH2 . ARG B 1 19 ? 2.184 -2.296 -10.994 1.00 0.00 ? 19 ARG B NH2 6 ATOM 8113 H H . ARG B 1 19 ? 5.790 -0.152 -5.505 1.00 0.00 ? 19 ARG B H 6 ATOM 8114 H HA . ARG B 1 19 ? 3.370 -0.412 -7.011 1.00 0.00 ? 19 ARG B HA 6 ATOM 8115 H HB2 . ARG B 1 19 ? 5.262 -2.028 -7.145 1.00 0.00 ? 19 ARG B HB2 6 ATOM 8116 H HB3 . ARG B 1 19 ? 4.899 -2.541 -5.503 1.00 0.00 ? 19 ARG B HB3 6 ATOM 8117 H HG2 . ARG B 1 19 ? 3.294 -3.906 -6.195 1.00 0.00 ? 19 ARG B HG2 6 ATOM 8118 H HG3 . ARG B 1 19 ? 2.553 -2.647 -7.185 1.00 0.00 ? 19 ARG B HG3 6 ATOM 8119 H HD2 . ARG B 1 19 ? 5.068 -3.925 -8.137 1.00 0.00 ? 19 ARG B HD2 6 ATOM 8120 H HD3 . ARG B 1 19 ? 3.561 -4.830 -8.266 1.00 0.00 ? 19 ARG B HD3 6 ATOM 8121 H HE . ARG B 1 19 ? 4.383 -2.661 -9.900 1.00 0.00 ? 19 ARG B HE 6 ATOM 8122 H HH11 . ARG B 1 19 ? 1.578 -4.095 -8.417 1.00 0.00 ? 19 ARG B HH11 6 ATOM 8123 H HH12 . ARG B 1 19 ? 0.477 -3.486 -9.608 1.00 0.00 ? 19 ARG B HH12 6 ATOM 8124 H HH21 . ARG B 1 19 ? 2.942 -1.855 -11.475 1.00 0.00 ? 19 ARG B HH21 6 ATOM 8125 H HH22 . ARG B 1 19 ? 1.252 -2.214 -11.346 1.00 0.00 ? 19 ARG B HH22 6 ATOM 8126 N N . LEU B 1 20 ? 3.280 -0.645 -3.775 1.00 0.00 ? 20 LEU B N 6 ATOM 8127 C CA . LEU B 1 20 ? 2.394 -0.711 -2.623 1.00 0.00 ? 20 LEU B CA 6 ATOM 8128 C C . LEU B 1 20 ? 1.467 0.496 -2.608 1.00 0.00 ? 20 LEU B C 6 ATOM 8129 O O . LEU B 1 20 ? 0.285 0.380 -2.287 1.00 0.00 ? 20 LEU B O 6 ATOM 8130 C CB . LEU B 1 20 ? 3.203 -0.770 -1.327 1.00 0.00 ? 20 LEU B CB 6 ATOM 8131 C CG . LEU B 1 20 ? 3.661 -2.170 -0.912 1.00 0.00 ? 20 LEU B CG 6 ATOM 8132 C CD1 . LEU B 1 20 ? 4.822 -2.084 0.066 1.00 0.00 ? 20 LEU B CD1 6 ATOM 8133 C CD2 . LEU B 1 20 ? 2.505 -2.948 -0.304 1.00 0.00 ? 20 LEU B CD2 6 ATOM 8134 H H . LEU B 1 20 ? 4.221 -0.406 -3.642 1.00 0.00 ? 20 LEU B H 6 ATOM 8135 H HA . LEU B 1 20 ? 1.799 -1.607 -2.711 1.00 0.00 ? 20 LEU B HA 6 ATOM 8136 H HB2 . LEU B 1 20 ? 4.077 -0.146 -1.443 1.00 0.00 ? 20 LEU B HB2 6 ATOM 8137 H HB3 . LEU B 1 20 ? 2.598 -0.365 -0.532 1.00 0.00 ? 20 LEU B HB3 6 ATOM 8138 H HG . LEU B 1 20 ? 4.001 -2.704 -1.788 1.00 0.00 ? 20 LEU B HG 6 ATOM 8139 H HD11 . LEU B 1 20 ? 5.181 -1.066 0.110 1.00 0.00 ? 20 LEU B HD11 6 ATOM 8140 H HD12 . LEU B 1 20 ? 4.490 -2.391 1.047 1.00 0.00 ? 20 LEU B HD12 6 ATOM 8141 H HD13 . LEU B 1 20 ? 5.619 -2.733 -0.264 1.00 0.00 ? 20 LEU B HD13 6 ATOM 8142 H HD21 . LEU B 1 20 ? 1.814 -2.262 0.164 1.00 0.00 ? 20 LEU B HD21 6 ATOM 8143 H HD22 . LEU B 1 20 ? 1.994 -3.499 -1.080 1.00 0.00 ? 20 LEU B HD22 6 ATOM 8144 H HD23 . LEU B 1 20 ? 2.885 -3.638 0.436 1.00 0.00 ? 20 LEU B HD23 6 ATOM 8145 N N . GLN B 1 21 ? 2.011 1.655 -2.967 1.00 0.00 ? 21 GLN B N 6 ATOM 8146 C CA . GLN B 1 21 ? 1.232 2.885 -3.005 1.00 0.00 ? 21 GLN B CA 6 ATOM 8147 C C . GLN B 1 21 ? 0.108 2.776 -4.029 1.00 0.00 ? 21 GLN B C 6 ATOM 8148 O O . GLN B 1 21 ? -1.033 3.148 -3.756 1.00 0.00 ? 21 GLN B O 6 ATOM 8149 C CB . GLN B 1 21 ? 2.133 4.075 -3.339 1.00 0.00 ? 21 GLN B CB 6 ATOM 8150 C CG . GLN B 1 21 ? 1.376 5.383 -3.505 1.00 0.00 ? 21 GLN B CG 6 ATOM 8151 C CD . GLN B 1 21 ? 2.248 6.598 -3.254 1.00 0.00 ? 21 GLN B CD 6 ATOM 8152 O OE1 . GLN B 1 21 ? 2.275 7.139 -2.149 1.00 0.00 ? 21 GLN B OE1 6 ATOM 8153 N NE2 . GLN B 1 21 ? 2.967 7.032 -4.283 1.00 0.00 ? 21 GLN B NE2 6 ATOM 8154 H H . GLN B 1 21 ? 2.960 1.681 -3.218 1.00 0.00 ? 21 GLN B H 6 ATOM 8155 H HA . GLN B 1 21 ? 0.799 3.034 -2.026 1.00 0.00 ? 21 GLN B HA 6 ATOM 8156 H HB2 . GLN B 1 21 ? 2.854 4.200 -2.546 1.00 0.00 ? 21 GLN B HB2 6 ATOM 8157 H HB3 . GLN B 1 21 ? 2.656 3.868 -4.261 1.00 0.00 ? 21 GLN B HB3 6 ATOM 8158 H HG2 . GLN B 1 21 ? 0.991 5.437 -4.513 1.00 0.00 ? 21 GLN B HG2 6 ATOM 8159 H HG3 . GLN B 1 21 ? 0.552 5.398 -2.806 1.00 0.00 ? 21 GLN B HG3 6 ATOM 8160 H HE21 . GLN B 1 21 ? 2.895 6.551 -5.134 1.00 0.00 ? 21 GLN B HE21 6 ATOM 8161 H HE22 . GLN B 1 21 ? 3.540 7.815 -4.148 1.00 0.00 ? 21 GLN B HE22 6 ATOM 8162 N N . LYS B 1 22 ? 0.437 2.260 -5.210 1.00 0.00 ? 22 LYS B N 6 ATOM 8163 C CA . LYS B 1 22 ? -0.552 2.100 -6.269 1.00 0.00 ? 22 LYS B CA 6 ATOM 8164 C C . LYS B 1 22 ? -1.641 1.119 -5.847 1.00 0.00 ? 22 LYS B C 6 ATOM 8165 O O . LYS B 1 22 ? -2.816 1.300 -6.172 1.00 0.00 ? 22 LYS B O 6 ATOM 8166 C CB . LYS B 1 22 ? 0.120 1.613 -7.554 1.00 0.00 ? 22 LYS B CB 6 ATOM 8167 C CG . LYS B 1 22 ? -0.404 2.292 -8.810 1.00 0.00 ? 22 LYS B CG 6 ATOM 8168 C CD . LYS B 1 22 ? -0.818 1.275 -9.861 1.00 0.00 ? 22 LYS B CD 6 ATOM 8169 C CE . LYS B 1 22 ? 0.388 0.710 -10.595 1.00 0.00 ? 22 LYS B CE 6 ATOM 8170 N NZ . LYS B 1 22 ? 0.876 1.636 -11.654 1.00 0.00 ? 22 LYS B NZ 6 ATOM 8171 H H . LYS B 1 22 ? 1.364 1.977 -5.371 1.00 0.00 ? 22 LYS B H 6 ATOM 8172 H HA . LYS B 1 22 ? -1.002 3.065 -6.452 1.00 0.00 ? 22 LYS B HA 6 ATOM 8173 H HB2 . LYS B 1 22 ? 1.181 1.802 -7.486 1.00 0.00 ? 22 LYS B HB2 6 ATOM 8174 H HB3 . LYS B 1 22 ? -0.043 0.550 -7.651 1.00 0.00 ? 22 LYS B HB3 6 ATOM 8175 H HG2 . LYS B 1 22 ? -1.262 2.895 -8.550 1.00 0.00 ? 22 LYS B HG2 6 ATOM 8176 H HG3 . LYS B 1 22 ? 0.373 2.922 -9.218 1.00 0.00 ? 22 LYS B HG3 6 ATOM 8177 H HD2 . LYS B 1 22 ? -1.343 0.465 -9.377 1.00 0.00 ? 22 LYS B HD2 6 ATOM 8178 H HD3 . LYS B 1 22 ? -1.472 1.755 -10.575 1.00 0.00 ? 22 LYS B HD3 6 ATOM 8179 H HE2 . LYS B 1 22 ? 1.181 0.542 -9.883 1.00 0.00 ? 22 LYS B HE2 6 ATOM 8180 H HE3 . LYS B 1 22 ? 0.108 -0.228 -11.051 1.00 0.00 ? 22 LYS B HE3 6 ATOM 8181 H HZ1 . LYS B 1 22 ? 0.133 2.319 -11.903 1.00 0.00 ? 22 LYS B HZ1 6 ATOM 8182 H HZ2 . LYS B 1 22 ? 1.711 2.157 -11.315 1.00 0.00 ? 22 LYS B HZ2 6 ATOM 8183 H HZ3 . LYS B 1 22 ? 1.138 1.100 -12.505 1.00 0.00 ? 22 LYS B HZ3 6 ATOM 8184 N N . GLU B 1 23 ? -1.242 0.081 -5.121 1.00 0.00 ? 23 GLU B N 6 ATOM 8185 C CA . GLU B 1 23 ? -2.181 -0.933 -4.653 1.00 0.00 ? 23 GLU B CA 6 ATOM 8186 C C . GLU B 1 23 ? -3.193 -0.337 -3.676 1.00 0.00 ? 23 GLU B C 6 ATOM 8187 O O . GLU B 1 23 ? -4.372 -0.690 -3.698 1.00 0.00 ? 23 GLU B O 6 ATOM 8188 C CB . GLU B 1 23 ? -1.429 -2.085 -3.984 1.00 0.00 ? 23 GLU B CB 6 ATOM 8189 C CG . GLU B 1 23 ? -1.677 -3.434 -4.638 1.00 0.00 ? 23 GLU B CG 6 ATOM 8190 C CD . GLU B 1 23 ? -0.584 -3.819 -5.615 1.00 0.00 ? 23 GLU B CD 6 ATOM 8191 O OE1 . GLU B 1 23 ? 0.532 -4.146 -5.157 1.00 0.00 ? 23 GLU B OE1 6 ATOM 8192 O OE2 . GLU B 1 23 ? -0.842 -3.794 -6.836 1.00 0.00 ? 23 GLU B OE2 6 ATOM 8193 H H . GLU B 1 23 ? -0.293 -0.008 -4.895 1.00 0.00 ? 23 GLU B H 6 ATOM 8194 H HA . GLU B 1 23 ? -2.712 -1.313 -5.513 1.00 0.00 ? 23 GLU B HA 6 ATOM 8195 H HB2 . GLU B 1 23 ? -0.368 -1.878 -4.026 1.00 0.00 ? 23 GLU B HB2 6 ATOM 8196 H HB3 . GLU B 1 23 ? -1.733 -2.148 -2.951 1.00 0.00 ? 23 GLU B HB3 6 ATOM 8197 H HG2 . GLU B 1 23 ? -1.732 -4.188 -3.867 1.00 0.00 ? 23 GLU B HG2 6 ATOM 8198 H HG3 . GLU B 1 23 ? -2.617 -3.394 -5.169 1.00 0.00 ? 23 GLU B HG3 6 ATOM 8199 N N . ILE B 1 24 ? -2.727 0.569 -2.821 1.00 0.00 ? 24 ILE B N 6 ATOM 8200 C CA . ILE B 1 24 ? -3.606 1.204 -1.843 1.00 0.00 ? 24 ILE B CA 6 ATOM 8201 C C . ILE B 1 24 ? -4.664 2.050 -2.555 1.00 0.00 ? 24 ILE B C 6 ATOM 8202 O O . ILE B 1 24 ? -5.829 2.072 -2.158 1.00 0.00 ? 24 ILE B O 6 ATOM 8203 C CB . ILE B 1 24 ? -2.815 2.058 -0.799 1.00 0.00 ? 24 ILE B CB 6 ATOM 8204 C CG1 . ILE B 1 24 ? -2.685 3.531 -1.218 1.00 0.00 ? 24 ILE B CG1 6 ATOM 8205 C CG2 . ILE B 1 24 ? -1.434 1.467 -0.555 1.00 0.00 ? 24 ILE B CG2 6 ATOM 8206 C CD1 . ILE B 1 24 ? -3.878 4.371 -0.817 1.00 0.00 ? 24 ILE B CD1 6 ATOM 8207 H H . ILE B 1 24 ? -1.780 0.816 -2.850 1.00 0.00 ? 24 ILE B H 6 ATOM 8208 H HA . ILE B 1 24 ? -4.113 0.412 -1.308 1.00 0.00 ? 24 ILE B HA 6 ATOM 8209 H HB . ILE B 1 24 ? -3.356 2.012 0.135 1.00 0.00 ? 24 ILE B HB 6 ATOM 8210 H HG12 . ILE B 1 24 ? -1.808 3.956 -0.753 1.00 0.00 ? 24 ILE B HG12 6 ATOM 8211 H HG13 . ILE B 1 24 ? -2.583 3.586 -2.291 1.00 0.00 ? 24 ILE B HG13 6 ATOM 8212 H HG21 . ILE B 1 24 ? -1.437 0.422 -0.822 1.00 0.00 ? 24 ILE B HG21 6 ATOM 8213 H HG22 . ILE B 1 24 ? -0.709 1.991 -1.159 1.00 0.00 ? 24 ILE B HG22 6 ATOM 8214 H HG23 . ILE B 1 24 ? -1.177 1.573 0.486 1.00 0.00 ? 24 ILE B HG23 6 ATOM 8215 H HD11 . ILE B 1 24 ? -4.611 3.744 -0.327 1.00 0.00 ? 24 ILE B HD11 6 ATOM 8216 H HD12 . ILE B 1 24 ? -3.559 5.149 -0.140 1.00 0.00 ? 24 ILE B HD12 6 ATOM 8217 H HD13 . ILE B 1 24 ? -4.317 4.816 -1.697 1.00 0.00 ? 24 ILE B HD13 6 ATOM 8218 N N . GLU B 1 25 ? -4.241 2.740 -3.611 1.00 0.00 ? 25 GLU B N 6 ATOM 8219 C CA . GLU B 1 25 ? -5.142 3.582 -4.386 1.00 0.00 ? 25 GLU B CA 6 ATOM 8220 C C . GLU B 1 25 ? -6.297 2.759 -4.942 1.00 0.00 ? 25 GLU B C 6 ATOM 8221 O O . GLU B 1 25 ? -7.454 3.174 -4.881 1.00 0.00 ? 25 GLU B O 6 ATOM 8222 C CB . GLU B 1 25 ? -4.385 4.261 -5.529 1.00 0.00 ? 25 GLU B CB 6 ATOM 8223 C CG . GLU B 1 25 ? -5.064 5.520 -6.044 1.00 0.00 ? 25 GLU B CG 6 ATOM 8224 C CD . GLU B 1 25 ? -4.811 6.723 -5.156 1.00 0.00 ? 25 GLU B CD 6 ATOM 8225 O OE1 . GLU B 1 25 ? -5.087 6.632 -3.941 1.00 0.00 ? 25 GLU B OE1 6 ATOM 8226 O OE2 . GLU B 1 25 ? -4.336 7.755 -5.676 1.00 0.00 ? 25 GLU B OE2 6 ATOM 8227 H H . GLU B 1 25 ? -3.299 2.675 -3.878 1.00 0.00 ? 25 GLU B H 6 ATOM 8228 H HA . GLU B 1 25 ? -5.539 4.339 -3.727 1.00 0.00 ? 25 GLU B HA 6 ATOM 8229 H HB2 . GLU B 1 25 ? -3.397 4.526 -5.184 1.00 0.00 ? 25 GLU B HB2 6 ATOM 8230 H HB3 . GLU B 1 25 ? -4.296 3.565 -6.350 1.00 0.00 ? 25 GLU B HB3 6 ATOM 8231 H HG2 . GLU B 1 25 ? -4.689 5.737 -7.033 1.00 0.00 ? 25 GLU B HG2 6 ATOM 8232 H HG3 . GLU B 1 25 ? -6.129 5.345 -6.094 1.00 0.00 ? 25 GLU B HG3 6 ATOM 8233 N N . ARG B 1 26 ? -5.976 1.585 -5.477 1.00 0.00 ? 26 ARG B N 6 ATOM 8234 C CA . ARG B 1 26 ? -6.991 0.699 -6.035 1.00 0.00 ? 26 ARG B CA 6 ATOM 8235 C C . ARG B 1 26 ? -8.050 0.381 -4.987 1.00 0.00 ? 26 ARG B C 6 ATOM 8236 O O . ARG B 1 26 ? -9.250 0.516 -5.237 1.00 0.00 ? 26 ARG B O 6 ATOM 8237 C CB . ARG B 1 26 ? -6.352 -0.594 -6.543 1.00 0.00 ? 26 ARG B CB 6 ATOM 8238 C CG . ARG B 1 26 ? -6.718 -0.929 -7.980 1.00 0.00 ? 26 ARG B CG 6 ATOM 8239 C CD . ARG B 1 26 ? -7.892 -1.892 -8.044 1.00 0.00 ? 26 ARG B CD 6 ATOM 8240 N NE . ARG B 1 26 ? -7.521 -3.168 -8.647 1.00 0.00 ? 26 ARG B NE 6 ATOM 8241 C CZ . ARG B 1 26 ? -8.282 -4.257 -8.593 1.00 0.00 ? 26 ARG B CZ 6 ATOM 8242 N NH1 . ARG B 1 26 ? -9.449 -4.222 -7.965 1.00 0.00 ? 26 ARG B NH1 6 ATOM 8243 N NH2 . ARG B 1 26 ? -7.875 -5.381 -9.167 1.00 0.00 ? 26 ARG B NH2 6 ATOM 8244 H H . ARG B 1 26 ? -5.036 1.304 -5.491 1.00 0.00 ? 26 ARG B H 6 ATOM 8245 H HA . ARG B 1 26 ? -7.460 1.211 -6.863 1.00 0.00 ? 26 ARG B HA 6 ATOM 8246 H HB2 . ARG B 1 26 ? -5.277 -0.499 -6.480 1.00 0.00 ? 26 ARG B HB2 6 ATOM 8247 H HB3 . ARG B 1 26 ? -6.670 -1.411 -5.913 1.00 0.00 ? 26 ARG B HB3 6 ATOM 8248 H HG2 . ARG B 1 26 ? -6.982 -0.019 -8.495 1.00 0.00 ? 26 ARG B HG2 6 ATOM 8249 H HG3 . ARG B 1 26 ? -5.865 -1.384 -8.462 1.00 0.00 ? 26 ARG B HG3 6 ATOM 8250 H HD2 . ARG B 1 26 ? -8.252 -2.069 -7.042 1.00 0.00 ? 26 ARG B HD2 6 ATOM 8251 H HD3 . ARG B 1 26 ? -8.679 -1.441 -8.633 1.00 0.00 ? 26 ARG B HD3 6 ATOM 8252 H HE . ARG B 1 26 ? -6.662 -3.217 -9.116 1.00 0.00 ? 26 ARG B HE 6 ATOM 8253 H HH11 . ARG B 1 26 ? -9.759 -3.376 -7.532 1.00 0.00 ? 26 ARG B HH11 6 ATOM 8254 H HH12 . ARG B 1 26 ? -10.020 -5.043 -7.925 1.00 0.00 ? 26 ARG B HH12 6 ATOM 8255 H HH21 . ARG B 1 26 ? -6.996 -5.411 -9.641 1.00 0.00 ? 26 ARG B HH21 6 ATOM 8256 H HH22 . ARG B 1 26 ? -8.449 -6.200 -9.124 1.00 0.00 ? 26 ARG B HH22 6 ATOM 8257 N N . HIS B 1 27 ? -7.598 -0.030 -3.806 1.00 0.00 ? 27 HIS B N 6 ATOM 8258 C CA . HIS B 1 27 ? -8.506 -0.355 -2.715 1.00 0.00 ? 27 HIS B CA 6 ATOM 8259 C C . HIS B 1 27 ? -9.297 0.879 -2.292 1.00 0.00 ? 27 HIS B C 6 ATOM 8260 O O . HIS B 1 27 ? -10.394 0.769 -1.746 1.00 0.00 ? 27 HIS B O 6 ATOM 8261 C CB . HIS B 1 27 ? -7.728 -0.912 -1.522 1.00 0.00 ? 27 HIS B CB 6 ATOM 8262 C CG . HIS B 1 27 ? -7.810 -2.402 -1.398 1.00 0.00 ? 27 HIS B CG 6 ATOM 8263 N ND1 . HIS B 1 27 ? -8.901 -3.055 -0.865 1.00 0.00 ? 27 HIS B ND1 6 ATOM 8264 C CD2 . HIS B 1 27 ? -6.927 -3.370 -1.743 1.00 0.00 ? 27 HIS B CD2 6 ATOM 8265 C CE1 . HIS B 1 27 ? -8.687 -4.359 -0.886 1.00 0.00 ? 27 HIS B CE1 6 ATOM 8266 N NE2 . HIS B 1 27 ? -7.497 -4.576 -1.415 1.00 0.00 ? 27 HIS B NE2 6 ATOM 8267 H H . HIS B 1 27 ? -6.631 -0.108 -3.664 1.00 0.00 ? 27 HIS B H 6 ATOM 8268 H HA . HIS B 1 27 ? -9.196 -1.107 -3.069 1.00 0.00 ? 27 HIS B HA 6 ATOM 8269 H HB2 . HIS B 1 27 ? -6.687 -0.645 -1.624 1.00 0.00 ? 27 HIS B HB2 6 ATOM 8270 H HB3 . HIS B 1 27 ? -8.119 -0.480 -0.613 1.00 0.00 ? 27 HIS B HB3 6 ATOM 8271 H HD1 . HIS B 1 27 ? -9.712 -2.627 -0.521 1.00 0.00 ? 27 HIS B HD1 6 ATOM 8272 H HD2 . HIS B 1 27 ? -5.955 -3.222 -2.193 1.00 0.00 ? 27 HIS B HD2 6 ATOM 8273 H HE1 . HIS B 1 27 ? -9.369 -5.118 -0.533 1.00 0.00 ? 27 HIS B HE1 6 ATOM 8274 H HE2 . HIS B 1 27 ? -7.089 -5.456 -1.550 1.00 0.00 ? 27 HIS B HE2 6 ATOM 8275 N N . LYS B 1 28 ? -8.730 2.055 -2.550 1.00 0.00 ? 28 LYS B N 6 ATOM 8276 C CA . LYS B 1 28 ? -9.379 3.311 -2.200 1.00 0.00 ? 28 LYS B CA 6 ATOM 8277 C C . LYS B 1 28 ? -10.474 3.653 -3.206 1.00 0.00 ? 28 LYS B C 6 ATOM 8278 O O . LYS B 1 28 ? -11.431 4.357 -2.881 1.00 0.00 ? 28 LYS B O 6 ATOM 8279 C CB . LYS B 1 28 ? -8.350 4.443 -2.144 1.00 0.00 ? 28 LYS B CB 6 ATOM 8280 C CG . LYS B 1 28 ? -8.859 5.692 -1.443 1.00 0.00 ? 28 LYS B CG 6 ATOM 8281 C CD . LYS B 1 28 ? -8.435 6.954 -2.177 1.00 0.00 ? 28 LYS B CD 6 ATOM 8282 C CE . LYS B 1 28 ? -9.364 7.259 -3.342 1.00 0.00 ? 28 LYS B CE 6 ATOM 8283 N NZ . LYS B 1 28 ? -8.922 8.460 -4.104 1.00 0.00 ? 28 LYS B NZ 6 ATOM 8284 H H . LYS B 1 28 ? -7.854 2.078 -2.989 1.00 0.00 ? 28 LYS B H 6 ATOM 8285 H HA . LYS B 1 28 ? -9.824 3.192 -1.226 1.00 0.00 ? 28 LYS B HA 6 ATOM 8286 H HB2 . LYS B 1 28 ? -7.475 4.092 -1.618 1.00 0.00 ? 28 LYS B HB2 6 ATOM 8287 H HB3 . LYS B 1 28 ? -8.072 4.710 -3.152 1.00 0.00 ? 28 LYS B HB3 6 ATOM 8288 H HG2 . LYS B 1 28 ? -9.937 5.657 -1.402 1.00 0.00 ? 28 LYS B HG2 6 ATOM 8289 H HG3 . LYS B 1 28 ? -8.459 5.718 -0.440 1.00 0.00 ? 28 LYS B HG3 6 ATOM 8290 H HD2 . LYS B 1 28 ? -8.455 7.784 -1.487 1.00 0.00 ? 28 LYS B HD2 6 ATOM 8291 H HD3 . LYS B 1 28 ? -7.432 6.820 -2.553 1.00 0.00 ? 28 LYS B HD3 6 ATOM 8292 H HE2 . LYS B 1 28 ? -9.379 6.408 -4.005 1.00 0.00 ? 28 LYS B HE2 6 ATOM 8293 H HE3 . LYS B 1 28 ? -10.357 7.433 -2.956 1.00 0.00 ? 28 LYS B HE3 6 ATOM 8294 H HZ1 . LYS B 1 28 ? -8.463 9.140 -3.465 1.00 0.00 ? 28 LYS B HZ1 6 ATOM 8295 H HZ2 . LYS B 1 28 ? -8.244 8.185 -4.842 1.00 0.00 ? 28 LYS B HZ2 6 ATOM 8296 H HZ3 . LYS B 1 28 ? -9.740 8.920 -4.552 1.00 0.00 ? 28 LYS B HZ3 6 ATOM 8297 N N . GLN B 1 29 ? -10.326 3.150 -4.427 1.00 0.00 ? 29 GLN B N 6 ATOM 8298 C CA . GLN B 1 29 ? -11.301 3.402 -5.480 1.00 0.00 ? 29 GLN B CA 6 ATOM 8299 C C . GLN B 1 29 ? -12.545 2.547 -5.280 1.00 0.00 ? 29 GLN B C 6 ATOM 8300 O O . GLN B 1 29 ? -13.662 2.988 -5.550 1.00 0.00 ? 29 GLN B O 6 ATOM 8301 C CB . GLN B 1 29 ? -10.687 3.119 -6.852 1.00 0.00 ? 29 GLN B CB 6 ATOM 8302 C CG . GLN B 1 29 ? -11.336 3.900 -7.982 1.00 0.00 ? 29 GLN B CG 6 ATOM 8303 C CD . GLN B 1 29 ? -10.450 5.015 -8.504 1.00 0.00 ? 29 GLN B CD 6 ATOM 8304 O OE1 . GLN B 1 29 ? -9.337 4.772 -8.971 1.00 0.00 ? 29 GLN B OE1 6 ATOM 8305 N NE2 . GLN B 1 29 ? -10.941 6.246 -8.425 1.00 0.00 ? 29 GLN B NE2 6 ATOM 8306 H H . GLN B 1 29 ? -9.541 2.596 -4.623 1.00 0.00 ? 29 GLN B H 6 ATOM 8307 H HA . GLN B 1 29 ? -11.582 4.443 -5.429 1.00 0.00 ? 29 GLN B HA 6 ATOM 8308 H HB2 . GLN B 1 29 ? -9.637 3.373 -6.824 1.00 0.00 ? 29 GLN B HB2 6 ATOM 8309 H HB3 . GLN B 1 29 ? -10.787 2.065 -7.068 1.00 0.00 ? 29 GLN B HB3 6 ATOM 8310 H HG2 . GLN B 1 29 ? -11.551 3.223 -8.795 1.00 0.00 ? 29 GLN B HG2 6 ATOM 8311 H HG3 . GLN B 1 29 ? -12.258 4.332 -7.620 1.00 0.00 ? 29 GLN B HG3 6 ATOM 8312 H HE21 . GLN B 1 29 ? -11.834 6.365 -8.041 1.00 0.00 ? 29 GLN B HE21 6 ATOM 8313 H HE22 . GLN B 1 29 ? -10.389 6.986 -8.755 1.00 0.00 ? 29 GLN B HE22 6 ATOM 8314 N N . SER B 1 30 ? -12.347 1.323 -4.802 1.00 0.00 ? 30 SER B N 6 ATOM 8315 C CA . SER B 1 30 ? -13.458 0.410 -4.563 1.00 0.00 ? 30 SER B CA 6 ATOM 8316 C C . SER B 1 30 ? -14.249 0.834 -3.330 1.00 0.00 ? 30 SER B C 6 ATOM 8317 O O . SER B 1 30 ? -15.478 0.786 -3.320 1.00 0.00 ? 30 SER B O 6 ATOM 8318 C CB . SER B 1 30 ? -12.944 -1.021 -4.389 1.00 0.00 ? 30 SER B CB 6 ATOM 8319 O OG . SER B 1 30 ? -11.834 -1.270 -5.233 1.00 0.00 ? 30 SER B OG 6 ATOM 8320 H H . SER B 1 30 ? -11.433 1.028 -4.605 1.00 0.00 ? 30 SER B H 6 ATOM 8321 H HA . SER B 1 30 ? -14.109 0.448 -5.423 1.00 0.00 ? 30 SER B HA 6 ATOM 8322 H HB2 . SER B 1 30 ? -12.641 -1.170 -3.363 1.00 0.00 ? 30 SER B HB2 6 ATOM 8323 H HB3 . SER B 1 30 ? -13.733 -1.716 -4.636 1.00 0.00 ? 30 SER B HB3 6 ATOM 8324 H HG . SER B 1 30 ? -11.644 -2.211 -5.243 1.00 0.00 ? 30 SER B HG 6 ATOM 8325 N N . ILE B 1 31 ? -13.532 1.249 -2.291 1.00 0.00 ? 31 ILE B N 6 ATOM 8326 C CA . ILE B 1 31 ? -14.161 1.685 -1.048 1.00 0.00 ? 31 ILE B CA 6 ATOM 8327 C C . ILE B 1 31 ? -14.851 3.035 -1.222 1.00 0.00 ? 31 ILE B C 6 ATOM 8328 O O . ILE B 1 31 ? -15.819 3.341 -0.527 1.00 0.00 ? 31 ILE B O 6 ATOM 8329 C CB . ILE B 1 31 ? -13.130 1.786 0.095 1.00 0.00 ? 31 ILE B CB 6 ATOM 8330 C CG1 . ILE B 1 31 ? -13.800 2.239 1.393 1.00 0.00 ? 31 ILE B CG1 6 ATOM 8331 C CG2 . ILE B 1 31 ? -12.012 2.749 -0.277 1.00 0.00 ? 31 ILE B CG2 6 ATOM 8332 C CD1 . ILE B 1 31 ? -14.617 1.161 2.065 1.00 0.00 ? 31 ILE B CD1 6 ATOM 8333 H H . ILE B 1 31 ? -12.554 1.263 -2.362 1.00 0.00 ? 31 ILE B H 6 ATOM 8334 H HA . ILE B 1 31 ? -14.900 0.947 -0.773 1.00 0.00 ? 31 ILE B HA 6 ATOM 8335 H HB . ILE B 1 31 ? -12.700 0.808 0.243 1.00 0.00 ? 31 ILE B HB 6 ATOM 8336 H HG12 . ILE B 1 31 ? -13.035 2.555 2.089 1.00 0.00 ? 31 ILE B HG12 6 ATOM 8337 H HG13 . ILE B 1 31 ? -14.454 3.073 1.182 1.00 0.00 ? 31 ILE B HG13 6 ATOM 8338 H HG21 . ILE B 1 31 ? -11.634 2.505 -1.257 1.00 0.00 ? 31 ILE B HG21 6 ATOM 8339 H HG22 . ILE B 1 31 ? -12.392 3.759 -0.279 1.00 0.00 ? 31 ILE B HG22 6 ATOM 8340 H HG23 . ILE B 1 31 ? -11.213 2.667 0.446 1.00 0.00 ? 31 ILE B HG23 6 ATOM 8341 H HD11 . ILE B 1 31 ? -14.932 0.438 1.329 1.00 0.00 ? 31 ILE B HD11 6 ATOM 8342 H HD12 . ILE B 1 31 ? -14.016 0.673 2.816 1.00 0.00 ? 31 ILE B HD12 6 ATOM 8343 H HD13 . ILE B 1 31 ? -15.485 1.604 2.529 1.00 0.00 ? 31 ILE B HD13 6 ATOM 8344 N N . LYS B 1 32 ? -14.347 3.838 -2.154 1.00 0.00 ? 32 LYS B N 6 ATOM 8345 C CA . LYS B 1 32 ? -14.919 5.154 -2.416 1.00 0.00 ? 32 LYS B CA 6 ATOM 8346 C C . LYS B 1 32 ? -16.173 5.043 -3.275 1.00 0.00 ? 32 LYS B C 6 ATOM 8347 O O . LYS B 1 32 ? -17.130 5.796 -3.092 1.00 0.00 ? 32 LYS B O 6 ATOM 8348 C CB . LYS B 1 32 ? -13.890 6.051 -3.107 1.00 0.00 ? 32 LYS B CB 6 ATOM 8349 C CG . LYS B 1 32 ? -14.364 7.482 -3.299 1.00 0.00 ? 32 LYS B CG 6 ATOM 8350 C CD . LYS B 1 32 ? -13.573 8.451 -2.436 1.00 0.00 ? 32 LYS B CD 6 ATOM 8351 C CE . LYS B 1 32 ? -14.051 8.429 -0.993 1.00 0.00 ? 32 LYS B CE 6 ATOM 8352 N NZ . LYS B 1 32 ? -14.791 9.670 -0.633 1.00 0.00 ? 32 LYS B NZ 6 ATOM 8353 H H . LYS B 1 32 ? -13.574 3.539 -2.678 1.00 0.00 ? 32 LYS B H 6 ATOM 8354 H HA . LYS B 1 32 ? -15.186 5.592 -1.466 1.00 0.00 ? 32 LYS B HA 6 ATOM 8355 H HB2 . LYS B 1 32 ? -12.989 6.070 -2.512 1.00 0.00 ? 32 LYS B HB2 6 ATOM 8356 H HB3 . LYS B 1 32 ? -13.662 5.636 -4.077 1.00 0.00 ? 32 LYS B HB3 6 ATOM 8357 H HG2 . LYS B 1 32 ? -14.240 7.756 -4.336 1.00 0.00 ? 32 LYS B HG2 6 ATOM 8358 H HG3 . LYS B 1 32 ? -15.409 7.544 -3.030 1.00 0.00 ? 32 LYS B HG3 6 ATOM 8359 H HD2 . LYS B 1 32 ? -12.530 8.174 -2.463 1.00 0.00 ? 32 LYS B HD2 6 ATOM 8360 H HD3 . LYS B 1 32 ? -13.694 9.450 -2.830 1.00 0.00 ? 32 LYS B HD3 6 ATOM 8361 H HE2 . LYS B 1 32 ? -14.704 7.581 -0.856 1.00 0.00 ? 32 LYS B HE2 6 ATOM 8362 H HE3 . LYS B 1 32 ? -13.193 8.331 -0.344 1.00 0.00 ? 32 LYS B HE3 6 ATOM 8363 H HZ1 . LYS B 1 32 ? -14.190 10.504 -0.794 1.00 0.00 ? 32 LYS B HZ1 6 ATOM 8364 H HZ2 . LYS B 1 32 ? -15.649 9.757 -1.215 1.00 0.00 ? 32 LYS B HZ2 6 ATOM 8365 H HZ3 . LYS B 1 32 ? -15.067 9.645 0.369 1.00 0.00 ? 32 LYS B HZ3 6 ATOM 8366 N N . LYS B 1 33 ? -16.164 4.101 -4.213 1.00 0.00 ? 33 LYS B N 6 ATOM 8367 C CA . LYS B 1 33 ? -17.303 3.895 -5.098 1.00 0.00 ? 33 LYS B CA 6 ATOM 8368 C C . LYS B 1 33 ? -18.412 3.131 -4.384 1.00 0.00 ? 33 LYS B C 6 ATOM 8369 O O . LYS B 1 33 ? -19.589 3.266 -4.719 1.00 0.00 ? 33 LYS B O 6 ATOM 8370 C CB . LYS B 1 33 ? -16.870 3.136 -6.354 1.00 0.00 ? 33 LYS B CB 6 ATOM 8371 C CG . LYS B 1 33 ? -17.987 2.956 -7.371 1.00 0.00 ? 33 LYS B CG 6 ATOM 8372 C CD . LYS B 1 33 ? -17.759 1.727 -8.236 1.00 0.00 ? 33 LYS B CD 6 ATOM 8373 C CE . LYS B 1 33 ? -16.814 2.024 -9.388 1.00 0.00 ? 33 LYS B CE 6 ATOM 8374 N NZ . LYS B 1 33 ? -16.077 0.808 -9.830 1.00 0.00 ? 33 LYS B NZ 6 ATOM 8375 H H . LYS B 1 33 ? -15.373 3.531 -4.309 1.00 0.00 ? 33 LYS B H 6 ATOM 8376 H HA . LYS B 1 33 ? -17.680 4.865 -5.386 1.00 0.00 ? 33 LYS B HA 6 ATOM 8377 H HB2 . LYS B 1 33 ? -16.065 3.677 -6.828 1.00 0.00 ? 33 LYS B HB2 6 ATOM 8378 H HB3 . LYS B 1 33 ? -16.515 2.158 -6.066 1.00 0.00 ? 33 LYS B HB3 6 ATOM 8379 H HG2 . LYS B 1 33 ? -18.924 2.846 -6.847 1.00 0.00 ? 33 LYS B HG2 6 ATOM 8380 H HG3 . LYS B 1 33 ? -18.027 3.830 -8.005 1.00 0.00 ? 33 LYS B HG3 6 ATOM 8381 H HD2 . LYS B 1 33 ? -17.333 0.943 -7.627 1.00 0.00 ? 33 LYS B HD2 6 ATOM 8382 H HD3 . LYS B 1 33 ? -18.708 1.400 -8.635 1.00 0.00 ? 33 LYS B HD3 6 ATOM 8383 H HE2 . LYS B 1 33 ? -17.387 2.408 -10.218 1.00 0.00 ? 33 LYS B HE2 6 ATOM 8384 H HE3 . LYS B 1 33 ? -16.101 2.769 -9.069 1.00 0.00 ? 33 LYS B HE3 6 ATOM 8385 H HZ1 . LYS B 1 33 ? -16.682 -0.033 -9.730 1.00 0.00 ? 33 LYS B HZ1 6 ATOM 8386 H HZ2 . LYS B 1 33 ? -15.796 0.901 -10.827 1.00 0.00 ? 33 LYS B HZ2 6 ATOM 8387 H HZ3 . LYS B 1 33 ? -15.223 0.677 -9.251 1.00 0.00 ? 33 LYS B HZ3 6 ATOM 8388 N N . LEU B 1 34 ? -18.028 2.331 -3.395 1.00 0.00 ? 34 LEU B N 6 ATOM 8389 C CA . LEU B 1 34 ? -18.989 1.548 -2.629 1.00 0.00 ? 34 LEU B CA 6 ATOM 8390 C C . LEU B 1 34 ? -19.661 2.411 -1.568 1.00 0.00 ? 34 LEU B C 6 ATOM 8391 O O . LEU B 1 34 ? -20.834 2.219 -1.249 1.00 0.00 ? 34 LEU B O 6 ATOM 8392 C CB . LEU B 1 34 ? -18.297 0.352 -1.972 1.00 0.00 ? 34 LEU B CB 6 ATOM 8393 C CG . LEU B 1 34 ? -18.639 -1.008 -2.583 1.00 0.00 ? 34 LEU B CG 6 ATOM 8394 C CD1 . LEU B 1 34 ? -17.386 -1.859 -2.729 1.00 0.00 ? 34 LEU B CD1 6 ATOM 8395 C CD2 . LEU B 1 34 ? -19.677 -1.727 -1.735 1.00 0.00 ? 34 LEU B CD2 6 ATOM 8396 H H . LEU B 1 34 ? -17.075 2.269 -3.173 1.00 0.00 ? 34 LEU B H 6 ATOM 8397 H HA . LEU B 1 34 ? -19.741 1.187 -3.313 1.00 0.00 ? 34 LEU B HA 6 ATOM 8398 H HB2 . LEU B 1 34 ? -17.228 0.498 -2.042 1.00 0.00 ? 34 LEU B HB2 6 ATOM 8399 H HB3 . LEU B 1 34 ? -18.572 0.331 -0.929 1.00 0.00 ? 34 LEU B HB3 6 ATOM 8400 H HG . LEU B 1 34 ? -19.057 -0.859 -3.568 1.00 0.00 ? 34 LEU B HG 6 ATOM 8401 H HD11 . LEU B 1 34 ? -16.513 -1.233 -2.625 1.00 0.00 ? 34 LEU B HD11 6 ATOM 8402 H HD12 . LEU B 1 34 ? -17.377 -2.620 -1.963 1.00 0.00 ? 34 LEU B HD12 6 ATOM 8403 H HD13 . LEU B 1 34 ? -17.381 -2.326 -3.702 1.00 0.00 ? 34 LEU B HD13 6 ATOM 8404 H HD21 . LEU B 1 34 ? -19.367 -1.713 -0.700 1.00 0.00 ? 34 LEU B HD21 6 ATOM 8405 H HD22 . LEU B 1 34 ? -20.630 -1.229 -1.831 1.00 0.00 ? 34 LEU B HD22 6 ATOM 8406 H HD23 . LEU B 1 34 ? -19.769 -2.749 -2.068 1.00 0.00 ? 34 LEU B HD23 6 ATOM 8407 N N . LYS B 1 35 ? -18.910 3.367 -1.027 1.00 0.00 ? 35 LYS B N 6 ATOM 8408 C CA . LYS B 1 35 ? -19.437 4.263 -0.005 1.00 0.00 ? 35 LYS B CA 6 ATOM 8409 C C . LYS B 1 35 ? -20.364 5.304 -0.624 1.00 0.00 ? 35 LYS B C 6 ATOM 8410 O O . LYS B 1 35 ? -21.350 5.713 -0.012 1.00 0.00 ? 35 LYS B O 6 ATOM 8411 C CB . LYS B 1 35 ? -18.291 4.957 0.735 1.00 0.00 ? 35 LYS B CB 6 ATOM 8412 C CG . LYS B 1 35 ? -18.212 4.595 2.209 1.00 0.00 ? 35 LYS B CG 6 ATOM 8413 C CD . LYS B 1 35 ? -18.762 5.708 3.086 1.00 0.00 ? 35 LYS B CD 6 ATOM 8414 C CE . LYS B 1 35 ? -17.896 6.956 3.009 1.00 0.00 ? 35 LYS B CE 6 ATOM 8415 N NZ . LYS B 1 35 ? -17.685 7.569 4.349 1.00 0.00 ? 35 LYS B NZ 6 ATOM 8416 H H . LYS B 1 35 ? -17.982 3.473 -1.325 1.00 0.00 ? 35 LYS B H 6 ATOM 8417 H HA . LYS B 1 35 ? -20.000 3.669 0.698 1.00 0.00 ? 35 LYS B HA 6 ATOM 8418 H HB2 . LYS B 1 35 ? -17.357 4.680 0.269 1.00 0.00 ? 35 LYS B HB2 6 ATOM 8419 H HB3 . LYS B 1 35 ? -18.421 6.025 0.656 1.00 0.00 ? 35 LYS B HB3 6 ATOM 8420 H HG2 . LYS B 1 35 ? -18.789 3.698 2.381 1.00 0.00 ? 35 LYS B HG2 6 ATOM 8421 H HG3 . LYS B 1 35 ? -17.180 4.417 2.471 1.00 0.00 ? 35 LYS B HG3 6 ATOM 8422 H HD2 . LYS B 1 35 ? -19.759 5.954 2.757 1.00 0.00 ? 35 LYS B HD2 6 ATOM 8423 H HD3 . LYS B 1 35 ? -18.792 5.364 4.110 1.00 0.00 ? 35 LYS B HD3 6 ATOM 8424 H HE2 . LYS B 1 35 ? -16.937 6.688 2.591 1.00 0.00 ? 35 LYS B HE2 6 ATOM 8425 H HE3 . LYS B 1 35 ? -18.381 7.675 2.365 1.00 0.00 ? 35 LYS B HE3 6 ATOM 8426 H HZ1 . LYS B 1 35 ? -18.257 7.076 5.062 1.00 0.00 ? 35 LYS B HZ1 6 ATOM 8427 H HZ2 . LYS B 1 35 ? -16.682 7.502 4.619 1.00 0.00 ? 35 LYS B HZ2 6 ATOM 8428 H HZ3 . LYS B 1 35 ? -17.961 8.572 4.331 1.00 0.00 ? 35 LYS B HZ3 6 ATOM 8429 N N . GLN B 1 36 ? -20.042 5.724 -1.843 1.00 0.00 ? 36 GLN B N 6 ATOM 8430 C CA . GLN B 1 36 ? -20.849 6.715 -2.545 1.00 0.00 ? 36 GLN B CA 6 ATOM 8431 C C . GLN B 1 36 ? -22.108 6.077 -3.119 1.00 0.00 ? 36 GLN B C 6 ATOM 8432 O O . GLN B 1 36 ? -23.156 6.717 -3.208 1.00 0.00 ? 36 GLN B O 6 ATOM 8433 C CB . GLN B 1 36 ? -20.035 7.367 -3.666 1.00 0.00 ? 36 GLN B CB 6 ATOM 8434 C CG . GLN B 1 36 ? -20.799 8.437 -4.429 1.00 0.00 ? 36 GLN B CG 6 ATOM 8435 C CD . GLN B 1 36 ? -20.926 8.120 -5.905 1.00 0.00 ? 36 GLN B CD 6 ATOM 8436 O OE1 . GLN B 1 36 ? -20.212 8.680 -6.737 1.00 0.00 ? 36 GLN B OE1 6 ATOM 8437 N NE2 . GLN B 1 36 ? -21.841 7.216 -6.241 1.00 0.00 ? 36 GLN B NE2 6 ATOM 8438 H H . GLN B 1 36 ? -19.245 5.359 -2.281 1.00 0.00 ? 36 GLN B H 6 ATOM 8439 H HA . GLN B 1 36 ? -21.137 7.474 -1.833 1.00 0.00 ? 36 GLN B HA 6 ATOM 8440 H HB2 . GLN B 1 36 ? -19.153 7.820 -3.237 1.00 0.00 ? 36 GLN B HB2 6 ATOM 8441 H HB3 . GLN B 1 36 ? -19.732 6.602 -4.366 1.00 0.00 ? 36 GLN B HB3 6 ATOM 8442 H HG2 . GLN B 1 36 ? -21.789 8.523 -4.008 1.00 0.00 ? 36 GLN B HG2 6 ATOM 8443 H HG3 . GLN B 1 36 ? -20.278 9.378 -4.321 1.00 0.00 ? 36 GLN B HG3 6 ATOM 8444 H HE21 . GLN B 1 36 ? -22.374 6.811 -5.525 1.00 0.00 ? 36 GLN B HE21 6 ATOM 8445 H HE22 . GLN B 1 36 ? -21.945 6.992 -7.189 1.00 0.00 ? 36 GLN B HE22 6 ATOM 8446 N N . SER B 1 37 ? -22.000 4.810 -3.505 1.00 0.00 ? 37 SER B N 6 ATOM 8447 C CA . SER B 1 37 ? -23.131 4.084 -4.068 1.00 0.00 ? 37 SER B CA 6 ATOM 8448 C C . SER B 1 37 ? -24.105 3.665 -2.972 1.00 0.00 ? 37 SER B C 6 ATOM 8449 O O . SER B 1 37 ? -25.302 3.515 -3.215 1.00 0.00 ? 37 SER B O 6 ATOM 8450 C CB . SER B 1 37 ? -22.645 2.851 -4.833 1.00 0.00 ? 37 SER B CB 6 ATOM 8451 O OG . SER B 1 37 ? -22.094 1.888 -3.951 1.00 0.00 ? 37 SER B OG 6 ATOM 8452 H H . SER B 1 37 ? -21.139 4.353 -3.407 1.00 0.00 ? 37 SER B H 6 ATOM 8453 H HA . SER B 1 37 ? -23.642 4.744 -4.753 1.00 0.00 ? 37 SER B HA 6 ATOM 8454 H HB2 . SER B 1 37 ? -23.476 2.405 -5.359 1.00 0.00 ? 37 SER B HB2 6 ATOM 8455 H HB3 . SER B 1 37 ? -21.887 3.147 -5.543 1.00 0.00 ? 37 SER B HB3 6 ATOM 8456 H HG . SER B 1 37 ? -22.027 1.043 -4.402 1.00 0.00 ? 37 SER B HG 6 ATOM 8457 N N . GLU B 1 38 ? -23.582 3.480 -1.763 1.00 0.00 ? 38 GLU B N 6 ATOM 8458 C CA . GLU B 1 38 ? -24.407 3.082 -0.629 1.00 0.00 ? 38 GLU B CA 6 ATOM 8459 C C . GLU B 1 38 ? -25.245 4.254 -0.130 1.00 0.00 ? 38 GLU B C 6 ATOM 8460 O O . GLU B 1 38 ? -26.313 4.063 0.452 1.00 0.00 ? 38 GLU B O 6 ATOM 8461 C CB . GLU B 1 38 ? -23.528 2.548 0.505 1.00 0.00 ? 38 GLU B CB 6 ATOM 8462 C CG . GLU B 1 38 ? -24.055 1.268 1.132 1.00 0.00 ? 38 GLU B CG 6 ATOM 8463 C CD . GLU B 1 38 ? -24.720 1.507 2.473 1.00 0.00 ? 38 GLU B CD 6 ATOM 8464 O OE1 . GLU B 1 38 ? -24.010 1.891 3.428 1.00 0.00 ? 38 GLU B OE1 6 ATOM 8465 O OE2 . GLU B 1 38 ? -25.950 1.312 2.571 1.00 0.00 ? 38 GLU B OE2 6 ATOM 8466 H H . GLU B 1 38 ? -22.621 3.617 -1.631 1.00 0.00 ? 38 GLU B H 6 ATOM 8467 H HA . GLU B 1 38 ? -25.069 2.296 -0.959 1.00 0.00 ? 38 GLU B HA 6 ATOM 8468 H HB2 . GLU B 1 38 ? -22.540 2.353 0.117 1.00 0.00 ? 38 GLU B HB2 6 ATOM 8469 H HB3 . GLU B 1 38 ? -23.460 3.301 1.277 1.00 0.00 ? 38 GLU B HB3 6 ATOM 8470 H HG2 . GLU B 1 38 ? -24.779 0.826 0.463 1.00 0.00 ? 38 GLU B HG2 6 ATOM 8471 H HG3 . GLU B 1 38 ? -23.231 0.585 1.272 1.00 0.00 ? 38 GLU B HG3 6 ATOM 8472 N N . ASP B 1 39 ? -24.753 5.467 -0.362 1.00 0.00 ? 39 ASP B N 6 ATOM 8473 C CA . ASP B 1 39 ? -25.458 6.670 0.062 1.00 0.00 ? 39 ASP B CA 6 ATOM 8474 C C . ASP B 1 39 ? -26.710 6.893 -0.780 1.00 0.00 ? 39 ASP B C 6 ATOM 8475 O O . ASP B 1 39 ? -27.686 7.483 -0.317 1.00 0.00 ? 39 ASP B O 6 ATOM 8476 C CB . ASP B 1 39 ? -24.538 7.888 -0.038 1.00 0.00 ? 39 ASP B CB 6 ATOM 8477 C CG . ASP B 1 39 ? -24.992 9.031 0.849 1.00 0.00 ? 39 ASP B CG 6 ATOM 8478 O OD1 . ASP B 1 39 ? -25.341 8.771 2.019 1.00 0.00 ? 39 ASP B OD1 6 ATOM 8479 O OD2 . ASP B 1 39 ? -24.999 10.186 0.372 1.00 0.00 ? 39 ASP B OD2 6 ATOM 8480 H H . ASP B 1 39 ? -23.897 5.554 -0.831 1.00 0.00 ? 39 ASP B H 6 ATOM 8481 H HA . ASP B 1 39 ? -25.752 6.536 1.093 1.00 0.00 ? 39 ASP B HA 6 ATOM 8482 H HB2 . ASP B 1 39 ? -23.539 7.603 0.258 1.00 0.00 ? 39 ASP B HB2 6 ATOM 8483 H HB3 . ASP B 1 39 ? -24.520 8.235 -1.061 1.00 0.00 ? 39 ASP B HB3 6 ATOM 8484 N N . ASP B 1 40 ? -26.674 6.417 -2.022 1.00 0.00 ? 40 ASP B N 6 ATOM 8485 C CA . ASP B 1 40 ? -27.805 6.563 -2.930 1.00 0.00 ? 40 ASP B CA 6 ATOM 8486 C C . ASP B 1 40 ? -28.533 5.236 -3.110 1.00 0.00 ? 40 ASP B C 6 ATOM 8487 O O . ASP B 1 40 ? -28.364 4.311 -2.316 1.00 0.00 ? 40 ASP B O 6 ATOM 8488 C CB . ASP B 1 40 ? -27.331 7.087 -4.287 1.00 0.00 ? 40 ASP B CB 6 ATOM 8489 C CG . ASP B 1 40 ? -28.301 8.080 -4.895 1.00 0.00 ? 40 ASP B CG 6 ATOM 8490 O OD1 . ASP B 1 40 ? -28.678 9.045 -4.197 1.00 0.00 ? 40 ASP B OD1 6 ATOM 8491 O OD2 . ASP B 1 40 ? -28.683 7.894 -6.069 1.00 0.00 ? 40 ASP B OD2 6 ATOM 8492 H H . ASP B 1 40 ? -25.867 5.955 -2.333 1.00 0.00 ? 40 ASP B H 6 ATOM 8493 H HA . ASP B 1 40 ? -28.486 7.279 -2.497 1.00 0.00 ? 40 ASP B HA 6 ATOM 8494 H HB2 . ASP B 1 40 ? -26.375 7.575 -4.165 1.00 0.00 ? 40 ASP B HB2 6 ATOM 8495 H HB3 . ASP B 1 40 ? -27.220 6.255 -4.968 1.00 0.00 ? 40 ASP B HB3 6 ATOM 8496 N N . ASP B 1 41 ? -29.344 5.149 -4.160 1.00 0.00 ? 41 ASP B N 6 ATOM 8497 C CA . ASP B 1 41 ? -30.098 3.933 -4.443 1.00 0.00 ? 41 ASP B CA 6 ATOM 8498 C C . ASP B 1 41 ? -30.406 3.819 -5.932 1.00 0.00 ? 41 ASP B C 6 ATOM 8499 O O . ASP B 1 41 ? -31.371 4.468 -6.388 1.00 0.00 ? 41 ASP B O 6 ATOM 8500 C CB . ASP B 1 41 ? -31.400 3.916 -3.640 1.00 0.00 ? 41 ASP B CB 6 ATOM 8501 C CG . ASP B 1 41 ? -31.243 3.221 -2.300 1.00 0.00 ? 41 ASP B CG 6 ATOM 8502 O OD1 . ASP B 1 41 ? -30.894 3.904 -1.315 1.00 0.00 ? 41 ASP B OD1 6 ATOM 8503 O OD2 . ASP B 1 41 ? -31.470 1.994 -2.238 1.00 0.00 ? 41 ASP B OD2 6 ATOM 8504 O OXT . ASP B 1 41 ? -29.680 3.082 -6.631 1.00 0.00 ? 41 ASP B OXT 6 ATOM 8505 H H . ASP B 1 41 ? -29.437 5.919 -4.757 1.00 0.00 ? 41 ASP B H 6 ATOM 8506 H HA . ASP B 1 41 ? -29.492 3.090 -4.148 1.00 0.00 ? 41 ASP B HA 6 ATOM 8507 H HB2 . ASP B 1 41 ? -31.719 4.932 -3.461 1.00 0.00 ? 41 ASP B HB2 6 ATOM 8508 H HB3 . ASP B 1 41 ? -32.160 3.399 -4.207 1.00 0.00 ? 41 ASP B HB3 6 ATOM 8509 N N . ALA A 1 1 ? -25.243 -16.302 0.762 1.00 0.00 ? 1 ALA A N 7 ATOM 8510 C CA . ALA A 1 1 ? -26.575 -16.401 1.413 1.00 0.00 ? 1 ALA A CA 7 ATOM 8511 C C . ALA A 1 1 ? -27.315 -15.070 1.352 1.00 0.00 ? 1 ALA A C 7 ATOM 8512 O O . ALA A 1 1 ? -28.264 -14.910 0.584 1.00 0.00 ? 1 ALA A O 7 ATOM 8513 C CB . ALA A 1 1 ? -26.423 -16.854 2.857 1.00 0.00 ? 1 ALA A CB 7 ATOM 8514 H H1 . ALA A 1 1 ? -25.287 -15.529 0.066 1.00 0.00 ? 1 ALA A H1 7 ATOM 8515 H H2 . ALA A 1 1 ? -24.542 -16.100 1.504 1.00 0.00 ? 1 ALA A H2 7 ATOM 8516 H H3 . ALA A 1 1 ? -25.048 -17.211 0.297 1.00 0.00 ? 1 ALA A H3 7 ATOM 8517 H HA . ALA A 1 1 ? -27.155 -17.146 0.887 1.00 0.00 ? 1 ALA A HA 7 ATOM 8518 H HB1 . ALA A 1 1 ? -26.713 -16.051 3.518 1.00 0.00 ? 1 ALA A HB1 7 ATOM 8519 H HB2 . ALA A 1 1 ? -27.055 -17.711 3.034 1.00 0.00 ? 1 ALA A HB2 7 ATOM 8520 H HB3 . ALA A 1 1 ? -25.393 -17.120 3.044 1.00 0.00 ? 1 ALA A HB3 7 ATOM 8521 N N . LEU A 1 2 ? -26.875 -14.116 2.166 1.00 0.00 ? 2 LEU A N 7 ATOM 8522 C CA . LEU A 1 2 ? -27.496 -12.797 2.204 1.00 0.00 ? 2 LEU A CA 7 ATOM 8523 C C . LEU A 1 2 ? -26.597 -11.753 1.551 1.00 0.00 ? 2 LEU A C 7 ATOM 8524 O O . LEU A 1 2 ? -25.466 -12.048 1.163 1.00 0.00 ? 2 LEU A O 7 ATOM 8525 C CB . LEU A 1 2 ? -27.798 -12.394 3.649 1.00 0.00 ? 2 LEU A CB 7 ATOM 8526 C CG . LEU A 1 2 ? -28.744 -13.335 4.399 1.00 0.00 ? 2 LEU A CG 7 ATOM 8527 C CD1 . LEU A 1 2 ? -28.231 -13.594 5.807 1.00 0.00 ? 2 LEU A CD1 7 ATOM 8528 C CD2 . LEU A 1 2 ? -30.149 -12.755 4.439 1.00 0.00 ? 2 LEU A CD2 7 ATOM 8529 H H . LEU A 1 2 ? -26.114 -14.303 2.755 1.00 0.00 ? 2 LEU A H 7 ATOM 8530 H HA . LEU A 1 2 ? -28.423 -12.851 1.654 1.00 0.00 ? 2 LEU A HA 7 ATOM 8531 H HB2 . LEU A 1 2 ? -26.864 -12.348 4.190 1.00 0.00 ? 2 LEU A HB2 7 ATOM 8532 H HB3 . LEU A 1 2 ? -28.239 -11.409 3.641 1.00 0.00 ? 2 LEU A HB3 7 ATOM 8533 H HG . LEU A 1 2 ? -28.786 -14.281 3.880 1.00 0.00 ? 2 LEU A HG 7 ATOM 8534 H HD11 . LEU A 1 2 ? -27.212 -13.950 5.760 1.00 0.00 ? 2 LEU A HD11 7 ATOM 8535 H HD12 . LEU A 1 2 ? -28.266 -12.678 6.378 1.00 0.00 ? 2 LEU A HD12 7 ATOM 8536 H HD13 . LEU A 1 2 ? -28.851 -14.339 6.284 1.00 0.00 ? 2 LEU A HD13 7 ATOM 8537 H HD21 . LEU A 1 2 ? -30.108 -11.735 4.796 1.00 0.00 ? 2 LEU A HD21 7 ATOM 8538 H HD22 . LEU A 1 2 ? -30.574 -12.772 3.448 1.00 0.00 ? 2 LEU A HD22 7 ATOM 8539 H HD23 . LEU A 1 2 ? -30.762 -13.344 5.105 1.00 0.00 ? 2 LEU A HD23 7 ATOM 8540 N N . LYS A 1 3 ? -27.108 -10.531 1.430 1.00 0.00 ? 3 LYS A N 7 ATOM 8541 C CA . LYS A 1 3 ? -26.349 -9.444 0.822 1.00 0.00 ? 3 LYS A CA 7 ATOM 8542 C C . LYS A 1 3 ? -25.668 -8.591 1.888 1.00 0.00 ? 3 LYS A C 7 ATOM 8543 O O . LYS A 1 3 ? -25.373 -7.417 1.662 1.00 0.00 ? 3 LYS A O 7 ATOM 8544 C CB . LYS A 1 3 ? -27.267 -8.571 -0.036 1.00 0.00 ? 3 LYS A CB 7 ATOM 8545 C CG . LYS A 1 3 ? -27.275 -8.958 -1.505 1.00 0.00 ? 3 LYS A CG 7 ATOM 8546 C CD . LYS A 1 3 ? -27.639 -10.421 -1.695 1.00 0.00 ? 3 LYS A CD 7 ATOM 8547 C CE . LYS A 1 3 ? -27.059 -10.978 -2.984 1.00 0.00 ? 3 LYS A CE 7 ATOM 8548 N NZ . LYS A 1 3 ? -25.983 -11.973 -2.725 1.00 0.00 ? 3 LYS A NZ 7 ATOM 8549 H H . LYS A 1 3 ? -28.015 -10.358 1.758 1.00 0.00 ? 3 LYS A H 7 ATOM 8550 H HA . LYS A 1 3 ? -25.591 -9.882 0.190 1.00 0.00 ? 3 LYS A HA 7 ATOM 8551 H HB2 . LYS A 1 3 ? -28.277 -8.652 0.341 1.00 0.00 ? 3 LYS A HB2 7 ATOM 8552 H HB3 . LYS A 1 3 ? -26.946 -7.544 0.043 1.00 0.00 ? 3 LYS A HB3 7 ATOM 8553 H HG2 . LYS A 1 3 ? -27.999 -8.347 -2.024 1.00 0.00 ? 3 LYS A HG2 7 ATOM 8554 H HG3 . LYS A 1 3 ? -26.292 -8.785 -1.918 1.00 0.00 ? 3 LYS A HG3 7 ATOM 8555 H HD2 . LYS A 1 3 ? -27.252 -10.990 -0.863 1.00 0.00 ? 3 LYS A HD2 7 ATOM 8556 H HD3 . LYS A 1 3 ? -28.716 -10.513 -1.726 1.00 0.00 ? 3 LYS A HD3 7 ATOM 8557 H HE2 . LYS A 1 3 ? -27.849 -11.454 -3.544 1.00 0.00 ? 3 LYS A HE2 7 ATOM 8558 H HE3 . LYS A 1 3 ? -26.651 -10.161 -3.562 1.00 0.00 ? 3 LYS A HE3 7 ATOM 8559 H HZ1 . LYS A 1 3 ? -25.830 -12.075 -1.702 1.00 0.00 ? 3 LYS A HZ1 7 ATOM 8560 H HZ2 . LYS A 1 3 ? -26.249 -12.898 -3.118 1.00 0.00 ? 3 LYS A HZ2 7 ATOM 8561 H HZ3 . LYS A 1 3 ? -25.094 -11.663 -3.168 1.00 0.00 ? 3 LYS A HZ3 7 ATOM 8562 N N . LYS A 1 4 ? -25.422 -9.187 3.050 1.00 0.00 ? 4 LYS A N 7 ATOM 8563 C CA . LYS A 1 4 ? -24.774 -8.480 4.149 1.00 0.00 ? 4 LYS A CA 7 ATOM 8564 C C . LYS A 1 4 ? -23.257 -8.532 4.008 1.00 0.00 ? 4 LYS A C 7 ATOM 8565 O O . LYS A 1 4 ? -22.553 -7.618 4.436 1.00 0.00 ? 4 LYS A O 7 ATOM 8566 C CB . LYS A 1 4 ? -25.195 -9.085 5.490 1.00 0.00 ? 4 LYS A CB 7 ATOM 8567 C CG . LYS A 1 4 ? -24.762 -10.530 5.668 1.00 0.00 ? 4 LYS A CG 7 ATOM 8568 C CD . LYS A 1 4 ? -23.383 -10.626 6.301 1.00 0.00 ? 4 LYS A CD 7 ATOM 8569 C CE . LYS A 1 4 ? -22.586 -11.786 5.726 1.00 0.00 ? 4 LYS A CE 7 ATOM 8570 N NZ . LYS A 1 4 ? -21.401 -12.116 6.565 1.00 0.00 ? 4 LYS A NZ 7 ATOM 8571 H H . LYS A 1 4 ? -25.680 -10.125 3.171 1.00 0.00 ? 4 LYS A H 7 ATOM 8572 H HA . LYS A 1 4 ? -25.093 -7.449 4.114 1.00 0.00 ? 4 LYS A HA 7 ATOM 8573 H HB2 . LYS A 1 4 ? -24.759 -8.500 6.287 1.00 0.00 ? 4 LYS A HB2 7 ATOM 8574 H HB3 . LYS A 1 4 ? -26.271 -9.041 5.571 1.00 0.00 ? 4 LYS A HB3 7 ATOM 8575 H HG2 . LYS A 1 4 ? -25.474 -11.034 6.305 1.00 0.00 ? 4 LYS A HG2 7 ATOM 8576 H HG3 . LYS A 1 4 ? -24.739 -11.011 4.701 1.00 0.00 ? 4 LYS A HG3 7 ATOM 8577 H HD2 . LYS A 1 4 ? -22.848 -9.708 6.114 1.00 0.00 ? 4 LYS A HD2 7 ATOM 8578 H HD3 . LYS A 1 4 ? -23.495 -10.770 7.365 1.00 0.00 ? 4 LYS A HD3 7 ATOM 8579 H HE2 . LYS A 1 4 ? -23.227 -12.653 5.668 1.00 0.00 ? 4 LYS A HE2 7 ATOM 8580 H HE3 . LYS A 1 4 ? -22.251 -11.519 4.734 1.00 0.00 ? 4 LYS A HE3 7 ATOM 8581 H HZ1 . LYS A 1 4 ? -20.992 -11.247 6.964 1.00 0.00 ? 4 LYS A HZ1 7 ATOM 8582 H HZ2 . LYS A 1 4 ? -21.679 -12.744 7.345 1.00 0.00 ? 4 LYS A HZ2 7 ATOM 8583 H HZ3 . LYS A 1 4 ? -20.678 -12.595 5.991 1.00 0.00 ? 4 LYS A HZ3 7 ATOM 8584 N N . HIS A 1 5 ? -22.761 -9.608 3.406 1.00 0.00 ? 5 HIS A N 7 ATOM 8585 C CA . HIS A 1 5 ? -21.327 -9.779 3.208 1.00 0.00 ? 5 HIS A CA 7 ATOM 8586 C C . HIS A 1 5 ? -20.733 -8.590 2.457 1.00 0.00 ? 5 HIS A C 7 ATOM 8587 O O . HIS A 1 5 ? -19.538 -8.313 2.561 1.00 0.00 ? 5 HIS A O 7 ATOM 8588 C CB . HIS A 1 5 ? -21.048 -11.072 2.439 1.00 0.00 ? 5 HIS A CB 7 ATOM 8589 C CG . HIS A 1 5 ? -21.841 -11.200 1.176 1.00 0.00 ? 5 HIS A CG 7 ATOM 8590 N ND1 . HIS A 1 5 ? -22.639 -12.289 0.894 1.00 0.00 ? 5 HIS A ND1 7 ATOM 8591 C CD2 . HIS A 1 5 ? -21.958 -10.366 0.115 1.00 0.00 ? 5 HIS A CD2 7 ATOM 8592 C CE1 . HIS A 1 5 ? -23.211 -12.121 -0.285 1.00 0.00 ? 5 HIS A CE1 7 ATOM 8593 N NE2 . HIS A 1 5 ? -22.815 -10.963 -0.777 1.00 0.00 ? 5 HIS A NE2 7 ATOM 8594 H H . HIS A 1 5 ? -23.374 -10.302 3.086 1.00 0.00 ? 5 HIS A H 7 ATOM 8595 H HA . HIS A 1 5 ? -20.863 -9.842 4.181 1.00 0.00 ? 5 HIS A HA 7 ATOM 8596 H HB2 . HIS A 1 5 ? -20.001 -11.109 2.178 1.00 0.00 ? 5 HIS A HB2 7 ATOM 8597 H HB3 . HIS A 1 5 ? -21.287 -11.915 3.070 1.00 0.00 ? 5 HIS A HB3 7 ATOM 8598 H HD1 . HIS A 1 5 ? -22.767 -13.070 1.473 1.00 0.00 ? 5 HIS A HD1 7 ATOM 8599 H HD2 . HIS A 1 5 ? -21.469 -9.410 -0.007 1.00 0.00 ? 5 HIS A HD2 7 ATOM 8600 H HE1 . HIS A 1 5 ? -23.888 -12.813 -0.763 1.00 0.00 ? 5 HIS A HE1 7 ATOM 8601 H HE2 . HIS A 1 5 ? -23.090 -10.590 -1.641 1.00 0.00 ? 5 HIS A HE2 7 ATOM 8602 N N . HIS A 1 6 ? -21.574 -7.890 1.702 1.00 0.00 ? 6 HIS A N 7 ATOM 8603 C CA . HIS A 1 6 ? -21.129 -6.731 0.937 1.00 0.00 ? 6 HIS A CA 7 ATOM 8604 C C . HIS A 1 6 ? -20.677 -5.610 1.864 1.00 0.00 ? 6 HIS A C 7 ATOM 8605 O O . HIS A 1 6 ? -19.537 -5.154 1.791 1.00 0.00 ? 6 HIS A O 7 ATOM 8606 C CB . HIS A 1 6 ? -22.249 -6.235 0.021 1.00 0.00 ? 6 HIS A CB 7 ATOM 8607 C CG . HIS A 1 6 ? -21.871 -6.211 -1.428 1.00 0.00 ? 6 HIS A CG 7 ATOM 8608 N ND1 . HIS A 1 6 ? -21.069 -7.168 -2.014 1.00 0.00 ? 6 HIS A ND1 7 ATOM 8609 C CD2 . HIS A 1 6 ? -22.190 -5.337 -2.412 1.00 0.00 ? 6 HIS A CD2 7 ATOM 8610 C CE1 . HIS A 1 6 ? -20.910 -6.883 -3.294 1.00 0.00 ? 6 HIS A CE1 7 ATOM 8611 N NE2 . HIS A 1 6 ? -21.581 -5.779 -3.560 1.00 0.00 ? 6 HIS A NE2 7 ATOM 8612 H H . HIS A 1 6 ? -22.516 -8.158 1.659 1.00 0.00 ? 6 HIS A H 7 ATOM 8613 H HA . HIS A 1 6 ? -20.288 -7.039 0.331 1.00 0.00 ? 6 HIS A HA 7 ATOM 8614 H HB2 . HIS A 1 6 ? -23.106 -6.883 0.128 1.00 0.00 ? 6 HIS A HB2 7 ATOM 8615 H HB3 . HIS A 1 6 ? -22.523 -5.232 0.311 1.00 0.00 ? 6 HIS A HB3 7 ATOM 8616 H HD1 . HIS A 1 6 ? -20.674 -7.941 -1.558 1.00 0.00 ? 6 HIS A HD1 7 ATOM 8617 H HD2 . HIS A 1 6 ? -22.809 -4.456 -2.312 1.00 0.00 ? 6 HIS A HD2 7 ATOM 8618 H HE1 . HIS A 1 6 ? -20.332 -7.459 -4.002 1.00 0.00 ? 6 HIS A HE1 7 ATOM 8619 H HE2 . HIS A 1 6 ? -21.633 -5.345 -4.438 1.00 0.00 ? 6 HIS A HE2 7 ATOM 8620 N N . GLU A 1 7 ? -21.578 -5.169 2.737 1.00 0.00 ? 7 GLU A N 7 ATOM 8621 C CA . GLU A 1 7 ? -21.265 -4.102 3.680 1.00 0.00 ? 7 GLU A CA 7 ATOM 8622 C C . GLU A 1 7 ? -19.990 -4.422 4.451 1.00 0.00 ? 7 GLU A C 7 ATOM 8623 O O . GLU A 1 7 ? -19.295 -3.521 4.923 1.00 0.00 ? 7 GLU A O 7 ATOM 8624 C CB . GLU A 1 7 ? -22.427 -3.894 4.653 1.00 0.00 ? 7 GLU A CB 7 ATOM 8625 C CG . GLU A 1 7 ? -23.794 -3.944 3.989 1.00 0.00 ? 7 GLU A CG 7 ATOM 8626 C CD . GLU A 1 7 ? -24.879 -3.318 4.842 1.00 0.00 ? 7 GLU A CD 7 ATOM 8627 O OE1 . GLU A 1 7 ? -24.742 -3.335 6.083 1.00 0.00 ? 7 GLU A OE1 7 ATOM 8628 O OE2 . GLU A 1 7 ? -25.867 -2.811 4.269 1.00 0.00 ? 7 GLU A OE2 7 ATOM 8629 H H . GLU A 1 7 ? -22.470 -5.572 2.750 1.00 0.00 ? 7 GLU A H 7 ATOM 8630 H HA . GLU A 1 7 ? -21.113 -3.195 3.115 1.00 0.00 ? 7 GLU A HA 7 ATOM 8631 H HB2 . GLU A 1 7 ? -22.390 -4.665 5.409 1.00 0.00 ? 7 GLU A HB2 7 ATOM 8632 H HB3 . GLU A 1 7 ? -22.316 -2.930 5.127 1.00 0.00 ? 7 GLU A HB3 7 ATOM 8633 H HG2 . GLU A 1 7 ? -23.744 -3.411 3.051 1.00 0.00 ? 7 GLU A HG2 7 ATOM 8634 H HG3 . GLU A 1 7 ? -24.052 -4.976 3.803 1.00 0.00 ? 7 GLU A HG3 7 ATOM 8635 N N . ASN A 1 8 ? -19.684 -5.710 4.571 1.00 0.00 ? 8 ASN A N 7 ATOM 8636 C CA . ASN A 1 8 ? -18.487 -6.145 5.278 1.00 0.00 ? 8 ASN A CA 7 ATOM 8637 C C . ASN A 1 8 ? -17.242 -5.806 4.471 1.00 0.00 ? 8 ASN A C 7 ATOM 8638 O O . ASN A 1 8 ? -16.367 -5.077 4.937 1.00 0.00 ? 8 ASN A O 7 ATOM 8639 C CB . ASN A 1 8 ? -18.543 -7.650 5.551 1.00 0.00 ? 8 ASN A CB 7 ATOM 8640 C CG . ASN A 1 8 ? -19.465 -7.994 6.704 1.00 0.00 ? 8 ASN A CG 7 ATOM 8641 O OD1 . ASN A 1 8 ? -20.529 -7.395 6.864 1.00 0.00 ? 8 ASN A OD1 7 ATOM 8642 N ND2 . ASN A 1 8 ? -19.061 -8.963 7.517 1.00 0.00 ? 8 ASN A ND2 7 ATOM 8643 H H . ASN A 1 8 ? -20.273 -6.380 4.168 1.00 0.00 ? 8 ASN A H 7 ATOM 8644 H HA . ASN A 1 8 ? -18.445 -5.615 6.218 1.00 0.00 ? 8 ASN A HA 7 ATOM 8645 H HB2 . ASN A 1 8 ? -18.900 -8.156 4.667 1.00 0.00 ? 8 ASN A HB2 7 ATOM 8646 H HB3 . ASN A 1 8 ? -17.550 -8.003 5.790 1.00 0.00 ? 8 ASN A HB3 7 ATOM 8647 H HD21 . ASN A 1 8 ? -18.202 -9.396 7.329 1.00 0.00 ? 8 ASN A HD21 7 ATOM 8648 H HD22 . ASN A 1 8 ? -19.637 -9.207 8.271 1.00 0.00 ? 8 ASN A HD22 7 ATOM 8649 N N . GLU A 1 9 ? -17.176 -6.325 3.250 1.00 0.00 ? 9 GLU A N 7 ATOM 8650 C CA . GLU A 1 9 ? -16.044 -6.057 2.374 1.00 0.00 ? 9 GLU A CA 7 ATOM 8651 C C . GLU A 1 9 ? -15.872 -4.553 2.176 1.00 0.00 ? 9 GLU A C 7 ATOM 8652 O O . GLU A 1 9 ? -14.791 -4.083 1.824 1.00 0.00 ? 9 GLU A O 7 ATOM 8653 C CB . GLU A 1 9 ? -16.240 -6.744 1.023 1.00 0.00 ? 9 GLU A CB 7 ATOM 8654 C CG . GLU A 1 9 ? -15.008 -7.488 0.534 1.00 0.00 ? 9 GLU A CG 7 ATOM 8655 C CD . GLU A 1 9 ? -14.815 -8.820 1.233 1.00 0.00 ? 9 GLU A CD 7 ATOM 8656 O OE1 . GLU A 1 9 ? -15.827 -9.429 1.639 1.00 0.00 ? 9 GLU A OE1 7 ATOM 8657 O OE2 . GLU A 1 9 ? -13.652 -9.254 1.374 1.00 0.00 ? 9 GLU A OE2 7 ATOM 8658 H H . GLU A 1 9 ? -17.910 -6.890 2.926 1.00 0.00 ? 9 GLU A H 7 ATOM 8659 H HA . GLU A 1 9 ? -15.156 -6.450 2.847 1.00 0.00 ? 9 GLU A HA 7 ATOM 8660 H HB2 . GLU A 1 9 ? -17.052 -7.452 1.106 1.00 0.00 ? 9 GLU A HB2 7 ATOM 8661 H HB3 . GLU A 1 9 ? -16.499 -5.999 0.286 1.00 0.00 ? 9 GLU A HB3 7 ATOM 8662 H HG2 . GLU A 1 9 ? -15.108 -7.667 -0.526 1.00 0.00 ? 9 GLU A HG2 7 ATOM 8663 H HG3 . GLU A 1 9 ? -14.137 -6.874 0.714 1.00 0.00 ? 9 GLU A HG3 7 ATOM 8664 N N . ILE A 1 10 ? -16.949 -3.804 2.408 1.00 0.00 ? 10 ILE A N 7 ATOM 8665 C CA . ILE A 1 10 ? -16.928 -2.357 2.260 1.00 0.00 ? 10 ILE A CA 7 ATOM 8666 C C . ILE A 1 10 ? -16.083 -1.716 3.367 1.00 0.00 ? 10 ILE A C 7 ATOM 8667 O O . ILE A 1 10 ? -15.153 -0.954 3.094 1.00 0.00 ? 10 ILE A O 7 ATOM 8668 C CB . ILE A 1 10 ? -18.390 -1.797 2.231 1.00 0.00 ? 10 ILE A CB 7 ATOM 8669 C CG1 . ILE A 1 10 ? -18.634 -1.030 0.933 1.00 0.00 ? 10 ILE A CG1 7 ATOM 8670 C CG2 . ILE A 1 10 ? -18.736 -0.919 3.436 1.00 0.00 ? 10 ILE A CG2 7 ATOM 8671 C CD1 . ILE A 1 10 ? -19.912 -1.437 0.230 1.00 0.00 ? 10 ILE A CD1 7 ATOM 8672 H H . ILE A 1 10 ? -17.782 -4.236 2.688 1.00 0.00 ? 10 ILE A H 7 ATOM 8673 H HA . ILE A 1 10 ? -16.467 -2.136 1.308 1.00 0.00 ? 10 ILE A HA 7 ATOM 8674 H HB . ILE A 1 10 ? -19.059 -2.644 2.251 1.00 0.00 ? 10 ILE A HB 7 ATOM 8675 H HG12 . ILE A 1 10 ? -18.697 0.026 1.150 1.00 0.00 ? 10 ILE A HG12 7 ATOM 8676 H HG13 . ILE A 1 10 ? -17.812 -1.207 0.255 1.00 0.00 ? 10 ILE A HG13 7 ATOM 8677 H HG21 . ILE A 1 10 ? -18.040 -0.097 3.495 1.00 0.00 ? 10 ILE A HG21 7 ATOM 8678 H HG22 . ILE A 1 10 ? -19.740 -0.534 3.324 1.00 0.00 ? 10 ILE A HG22 7 ATOM 8679 H HG23 . ILE A 1 10 ? -18.677 -1.507 4.340 1.00 0.00 ? 10 ILE A HG23 7 ATOM 8680 H HD11 . ILE A 1 10 ? -20.334 -2.300 0.725 1.00 0.00 ? 10 ILE A HD11 7 ATOM 8681 H HD12 . ILE A 1 10 ? -20.618 -0.621 0.266 1.00 0.00 ? 10 ILE A HD12 7 ATOM 8682 H HD13 . ILE A 1 10 ? -19.696 -1.682 -0.798 1.00 0.00 ? 10 ILE A HD13 7 ATOM 8683 N N . SER A 1 11 ? -16.415 -2.035 4.615 1.00 0.00 ? 11 SER A N 7 ATOM 8684 C CA . SER A 1 11 ? -15.690 -1.496 5.758 1.00 0.00 ? 11 SER A CA 7 ATOM 8685 C C . SER A 1 11 ? -14.247 -1.988 5.763 1.00 0.00 ? 11 SER A C 7 ATOM 8686 O O . SER A 1 11 ? -13.360 -1.337 6.320 1.00 0.00 ? 11 SER A O 7 ATOM 8687 C CB . SER A 1 11 ? -16.383 -1.895 7.062 1.00 0.00 ? 11 SER A CB 7 ATOM 8688 O OG . SER A 1 11 ? -16.721 -0.753 7.830 1.00 0.00 ? 11 SER A OG 7 ATOM 8689 H H . SER A 1 11 ? -17.163 -2.652 4.769 1.00 0.00 ? 11 SER A H 7 ATOM 8690 H HA . SER A 1 11 ? -15.691 -0.420 5.674 1.00 0.00 ? 11 SER A HA 7 ATOM 8691 H HB2 . SER A 1 11 ? -17.285 -2.441 6.835 1.00 0.00 ? 11 SER A HB2 7 ATOM 8692 H HB3 . SER A 1 11 ? -15.719 -2.521 7.643 1.00 0.00 ? 11 SER A HB3 7 ATOM 8693 H HG . SER A 1 11 ? -17.612 -0.471 7.609 1.00 0.00 ? 11 SER A HG 7 ATOM 8694 N N . HIS A 1 12 ? -14.016 -3.139 5.139 1.00 0.00 ? 12 HIS A N 7 ATOM 8695 C CA . HIS A 1 12 ? -12.682 -3.713 5.071 1.00 0.00 ? 12 HIS A CA 7 ATOM 8696 C C . HIS A 1 12 ? -11.832 -2.954 4.049 1.00 0.00 ? 12 HIS A C 7 ATOM 8697 O O . HIS A 1 12 ? -10.640 -2.733 4.266 1.00 0.00 ? 12 HIS A O 7 ATOM 8698 C CB . HIS A 1 12 ? -12.783 -5.223 4.759 1.00 0.00 ? 12 HIS A CB 7 ATOM 8699 C CG . HIS A 1 12 ? -11.795 -5.751 3.758 1.00 0.00 ? 12 HIS A CG 7 ATOM 8700 N ND1 . HIS A 1 12 ? -10.548 -6.229 4.104 1.00 0.00 ? 12 HIS A ND1 7 ATOM 8701 C CD2 . HIS A 1 12 ? -11.886 -5.871 2.416 1.00 0.00 ? 12 HIS A CD2 7 ATOM 8702 C CE1 . HIS A 1 12 ? -9.914 -6.621 3.012 1.00 0.00 ? 12 HIS A CE1 7 ATOM 8703 N NE2 . HIS A 1 12 ? -10.704 -6.413 1.976 1.00 0.00 ? 12 HIS A NE2 7 ATOM 8704 H H . HIS A 1 12 ? -14.760 -3.611 4.710 1.00 0.00 ? 12 HIS A H 7 ATOM 8705 H HA . HIS A 1 12 ? -12.230 -3.589 6.045 1.00 0.00 ? 12 HIS A HA 7 ATOM 8706 H HB2 . HIS A 1 12 ? -12.639 -5.776 5.675 1.00 0.00 ? 12 HIS A HB2 7 ATOM 8707 H HB3 . HIS A 1 12 ? -13.776 -5.431 4.382 1.00 0.00 ? 12 HIS A HB3 7 ATOM 8708 H HD1 . HIS A 1 12 ? -10.183 -6.274 5.012 1.00 0.00 ? 12 HIS A HD1 7 ATOM 8709 H HD2 . HIS A 1 12 ? -12.733 -5.591 1.808 1.00 0.00 ? 12 HIS A HD2 7 ATOM 8710 H HE1 . HIS A 1 12 ? -8.918 -7.039 2.976 1.00 0.00 ? 12 HIS A HE1 7 ATOM 8711 H HE2 . HIS A 1 12 ? -10.481 -6.616 1.043 1.00 0.00 ? 12 HIS A HE2 7 ATOM 8712 N N . HIS A 1 13 ? -12.450 -2.540 2.944 1.00 0.00 ? 13 HIS A N 7 ATOM 8713 C CA . HIS A 1 13 ? -11.730 -1.793 1.922 1.00 0.00 ? 13 HIS A CA 7 ATOM 8714 C C . HIS A 1 13 ? -11.312 -0.439 2.472 1.00 0.00 ? 13 HIS A C 7 ATOM 8715 O O . HIS A 1 13 ? -10.271 0.099 2.101 1.00 0.00 ? 13 HIS A O 7 ATOM 8716 C CB . HIS A 1 13 ? -12.586 -1.588 0.671 1.00 0.00 ? 13 HIS A CB 7 ATOM 8717 C CG . HIS A 1 13 ? -13.130 -2.848 0.081 1.00 0.00 ? 13 HIS A CG 7 ATOM 8718 N ND1 . HIS A 1 13 ? -12.470 -4.058 0.128 1.00 0.00 ? 13 HIS A ND1 7 ATOM 8719 C CD2 . HIS A 1 13 ? -14.279 -3.073 -0.595 1.00 0.00 ? 13 HIS A CD2 7 ATOM 8720 C CE1 . HIS A 1 13 ? -13.191 -4.973 -0.496 1.00 0.00 ? 13 HIS A CE1 7 ATOM 8721 N NE2 . HIS A 1 13 ? -14.293 -4.401 -0.943 1.00 0.00 ? 13 HIS A NE2 7 ATOM 8722 H H . HIS A 1 13 ? -13.403 -2.728 2.824 1.00 0.00 ? 13 HIS A H 7 ATOM 8723 H HA . HIS A 1 13 ? -10.845 -2.353 1.660 1.00 0.00 ? 13 HIS A HA 7 ATOM 8724 H HB2 . HIS A 1 13 ? -13.421 -0.951 0.915 1.00 0.00 ? 13 HIS A HB2 7 ATOM 8725 H HB3 . HIS A 1 13 ? -11.983 -1.106 -0.084 1.00 0.00 ? 13 HIS A HB3 7 ATOM 8726 H HD1 . HIS A 1 13 ? -11.604 -4.221 0.555 1.00 0.00 ? 13 HIS A HD1 7 ATOM 8727 H HD2 . HIS A 1 13 ? -15.039 -2.340 -0.821 1.00 0.00 ? 13 HIS A HD2 7 ATOM 8728 H HE1 . HIS A 1 13 ? -12.923 -6.012 -0.621 1.00 0.00 ? 13 HIS A HE1 7 ATOM 8729 H HE2 . HIS A 1 13 ? -15.005 -4.853 -1.441 1.00 0.00 ? 13 HIS A HE2 7 ATOM 8730 N N . ALA A 1 14 ? -12.134 0.106 3.367 1.00 0.00 ? 14 ALA A N 7 ATOM 8731 C CA . ALA A 1 14 ? -11.848 1.397 3.979 1.00 0.00 ? 14 ALA A CA 7 ATOM 8732 C C . ALA A 1 14 ? -10.588 1.308 4.827 1.00 0.00 ? 14 ALA A C 7 ATOM 8733 O O . ALA A 1 14 ? -9.621 2.034 4.603 1.00 0.00 ? 14 ALA A O 7 ATOM 8734 C CB . ALA A 1 14 ? -13.027 1.859 4.821 1.00 0.00 ? 14 ALA A CB 7 ATOM 8735 H H . ALA A 1 14 ? -12.950 -0.374 3.623 1.00 0.00 ? 14 ALA A H 7 ATOM 8736 H HA . ALA A 1 14 ? -11.691 2.117 3.188 1.00 0.00 ? 14 ALA A HA 7 ATOM 8737 H HB1 . ALA A 1 14 ? -12.821 1.669 5.864 1.00 0.00 ? 14 ALA A HB1 7 ATOM 8738 H HB2 . ALA A 1 14 ? -13.915 1.319 4.525 1.00 0.00 ? 14 ALA A HB2 7 ATOM 8739 H HB3 . ALA A 1 14 ? -13.183 2.918 4.672 1.00 0.00 ? 14 ALA A HB3 7 ATOM 8740 N N . LYS A 1 15 ? -10.598 0.395 5.790 1.00 0.00 ? 15 LYS A N 7 ATOM 8741 C CA . LYS A 1 15 ? -9.446 0.193 6.654 1.00 0.00 ? 15 LYS A CA 7 ATOM 8742 C C . LYS A 1 15 ? -8.240 -0.261 5.833 1.00 0.00 ? 15 LYS A C 7 ATOM 8743 O O . LYS A 1 15 ? -7.101 -0.179 6.290 1.00 0.00 ? 15 LYS A O 7 ATOM 8744 C CB . LYS A 1 15 ? -9.763 -0.841 7.736 1.00 0.00 ? 15 LYS A CB 7 ATOM 8745 C CG . LYS A 1 15 ? -10.318 -0.232 9.014 1.00 0.00 ? 15 LYS A CG 7 ATOM 8746 C CD . LYS A 1 15 ? -9.414 0.867 9.547 1.00 0.00 ? 15 LYS A CD 7 ATOM 8747 C CE . LYS A 1 15 ? -9.409 0.896 11.067 1.00 0.00 ? 15 LYS A CE 7 ATOM 8748 N NZ . LYS A 1 15 ? -8.364 0.002 11.637 1.00 0.00 ? 15 LYS A NZ 7 ATOM 8749 H H . LYS A 1 15 ? -11.392 -0.168 5.911 1.00 0.00 ? 15 LYS A H 7 ATOM 8750 H HA . LYS A 1 15 ? -9.213 1.137 7.124 1.00 0.00 ? 15 LYS A HA 7 ATOM 8751 H HB2 . LYS A 1 15 ? -10.490 -1.538 7.348 1.00 0.00 ? 15 LYS A HB2 7 ATOM 8752 H HB3 . LYS A 1 15 ? -8.859 -1.376 7.982 1.00 0.00 ? 15 LYS A HB3 7 ATOM 8753 H HG2 . LYS A 1 15 ? -11.292 0.185 8.808 1.00 0.00 ? 15 LYS A HG2 7 ATOM 8754 H HG3 . LYS A 1 15 ? -10.408 -1.008 9.760 1.00 0.00 ? 15 LYS A HG3 7 ATOM 8755 H HD2 . LYS A 1 15 ? -8.408 0.692 9.198 1.00 0.00 ? 15 LYS A HD2 7 ATOM 8756 H HD3 . LYS A 1 15 ? -9.766 1.819 9.178 1.00 0.00 ? 15 LYS A HD3 7 ATOM 8757 H HE2 . LYS A 1 15 ? -9.223 1.907 11.395 1.00 0.00 ? 15 LYS A HE2 7 ATOM 8758 H HE3 . LYS A 1 15 ? -10.378 0.575 11.424 1.00 0.00 ? 15 LYS A HE3 7 ATOM 8759 H HZ1 . LYS A 1 15 ? -8.036 -0.671 10.914 1.00 0.00 ? 15 LYS A HZ1 7 ATOM 8760 H HZ2 . LYS A 1 15 ? -7.553 0.564 11.964 1.00 0.00 ? 15 LYS A HZ2 7 ATOM 8761 H HZ3 . LYS A 1 15 ? -8.750 -0.533 12.441 1.00 0.00 ? 15 LYS A HZ3 7 ATOM 8762 N N . GLU A 1 16 ? -8.501 -0.742 4.616 1.00 0.00 ? 16 GLU A N 7 ATOM 8763 C CA . GLU A 1 16 ? -7.440 -1.206 3.733 1.00 0.00 ? 16 GLU A CA 7 ATOM 8764 C C . GLU A 1 16 ? -6.761 -0.034 3.033 1.00 0.00 ? 16 GLU A C 7 ATOM 8765 O O . GLU A 1 16 ? -5.558 -0.070 2.788 1.00 0.00 ? 16 GLU A O 7 ATOM 8766 C CB . GLU A 1 16 ? -8.000 -2.181 2.697 1.00 0.00 ? 16 GLU A CB 7 ATOM 8767 C CG . GLU A 1 16 ? -6.926 -2.912 1.908 1.00 0.00 ? 16 GLU A CG 7 ATOM 8768 C CD . GLU A 1 16 ? -7.397 -4.256 1.389 1.00 0.00 ? 16 GLU A CD 7 ATOM 8769 O OE1 . GLU A 1 16 ? -8.602 -4.554 1.522 1.00 0.00 ? 16 GLU A OE1 7 ATOM 8770 O OE2 . GLU A 1 16 ? -6.561 -5.010 0.847 1.00 0.00 ? 16 GLU A OE2 7 ATOM 8771 H H . GLU A 1 16 ? -9.427 -0.784 4.303 1.00 0.00 ? 16 GLU A H 7 ATOM 8772 H HA . GLU A 1 16 ? -6.708 -1.719 4.340 1.00 0.00 ? 16 GLU A HA 7 ATOM 8773 H HB2 . GLU A 1 16 ? -8.607 -2.917 3.203 1.00 0.00 ? 16 GLU A HB2 7 ATOM 8774 H HB3 . GLU A 1 16 ? -8.617 -1.633 2.001 1.00 0.00 ? 16 GLU A HB3 7 ATOM 8775 H HG2 . GLU A 1 16 ? -6.635 -2.300 1.067 1.00 0.00 ? 16 GLU A HG2 7 ATOM 8776 H HG3 . GLU A 1 16 ? -6.070 -3.069 2.550 1.00 0.00 ? 16 GLU A HG3 7 ATOM 8777 N N . ILE A 1 17 ? -7.531 1.004 2.715 1.00 0.00 ? 17 ILE A N 7 ATOM 8778 C CA . ILE A 1 17 ? -6.980 2.177 2.048 1.00 0.00 ? 17 ILE A CA 7 ATOM 8779 C C . ILE A 1 17 ? -6.126 2.995 3.016 1.00 0.00 ? 17 ILE A C 7 ATOM 8780 O O . ILE A 1 17 ? -5.110 3.576 2.630 1.00 0.00 ? 17 ILE A O 7 ATOM 8781 C CB . ILE A 1 17 ? -8.100 3.054 1.426 1.00 0.00 ? 17 ILE A CB 7 ATOM 8782 C CG1 . ILE A 1 17 ? -8.753 3.976 2.465 1.00 0.00 ? 17 ILE A CG1 7 ATOM 8783 C CG2 . ILE A 1 17 ? -9.153 2.167 0.785 1.00 0.00 ? 17 ILE A CG2 7 ATOM 8784 C CD1 . ILE A 1 17 ? -8.202 5.385 2.451 1.00 0.00 ? 17 ILE A CD1 7 ATOM 8785 H H . ILE A 1 17 ? -8.488 0.981 2.934 1.00 0.00 ? 17 ILE A H 7 ATOM 8786 H HA . ILE A 1 17 ? -6.343 1.830 1.245 1.00 0.00 ? 17 ILE A HA 7 ATOM 8787 H HB . ILE A 1 17 ? -7.657 3.657 0.647 1.00 0.00 ? 17 ILE A HB 7 ATOM 8788 H HG12 . ILE A 1 17 ? -9.813 4.034 2.269 1.00 0.00 ? 17 ILE A HG12 7 ATOM 8789 H HG13 . ILE A 1 17 ? -8.596 3.568 3.450 1.00 0.00 ? 17 ILE A HG13 7 ATOM 8790 H HG21 . ILE A 1 17 ? -8.809 1.143 0.781 1.00 0.00 ? 17 ILE A HG21 7 ATOM 8791 H HG22 . ILE A 1 17 ? -10.073 2.235 1.347 1.00 0.00 ? 17 ILE A HG22 7 ATOM 8792 H HG23 . ILE A 1 17 ? -9.327 2.491 -0.228 1.00 0.00 ? 17 ILE A HG23 7 ATOM 8793 H HD11 . ILE A 1 17 ? -7.468 5.478 1.665 1.00 0.00 ? 17 ILE A HD11 7 ATOM 8794 H HD12 . ILE A 1 17 ? -9.007 6.085 2.277 1.00 0.00 ? 17 ILE A HD12 7 ATOM 8795 H HD13 . ILE A 1 17 ? -7.741 5.600 3.404 1.00 0.00 ? 17 ILE A HD13 7 ATOM 8796 N N . GLU A 1 18 ? -6.543 3.027 4.279 1.00 0.00 ? 18 GLU A N 7 ATOM 8797 C CA . GLU A 1 18 ? -5.813 3.764 5.303 1.00 0.00 ? 18 GLU A CA 7 ATOM 8798 C C . GLU A 1 18 ? -4.551 3.012 5.705 1.00 0.00 ? 18 GLU A C 7 ATOM 8799 O O . GLU A 1 18 ? -3.477 3.600 5.830 1.00 0.00 ? 18 GLU A O 7 ATOM 8800 C CB . GLU A 1 18 ? -6.700 3.996 6.528 1.00 0.00 ? 18 GLU A CB 7 ATOM 8801 C CG . GLU A 1 18 ? -6.390 5.287 7.268 1.00 0.00 ? 18 GLU A CG 7 ATOM 8802 C CD . GLU A 1 18 ? -7.406 6.378 6.986 1.00 0.00 ? 18 GLU A CD 7 ATOM 8803 O OE1 . GLU A 1 18 ? -8.613 6.065 6.936 1.00 0.00 ? 18 GLU A OE1 7 ATOM 8804 O OE2 . GLU A 1 18 ? -6.992 7.544 6.815 1.00 0.00 ? 18 GLU A OE2 7 ATOM 8805 H H . GLU A 1 18 ? -7.357 2.536 4.529 1.00 0.00 ? 18 GLU A H 7 ATOM 8806 H HA . GLU A 1 18 ? -5.530 4.719 4.885 1.00 0.00 ? 18 GLU A HA 7 ATOM 8807 H HB2 . GLU A 1 18 ? -7.731 4.026 6.211 1.00 0.00 ? 18 GLU A HB2 7 ATOM 8808 H HB3 . GLU A 1 18 ? -6.567 3.172 7.215 1.00 0.00 ? 18 GLU A HB3 7 ATOM 8809 H HG2 . GLU A 1 18 ? -6.385 5.087 8.328 1.00 0.00 ? 18 GLU A HG2 7 ATOM 8810 H HG3 . GLU A 1 18 ? -5.414 5.637 6.963 1.00 0.00 ? 18 GLU A HG3 7 ATOM 8811 N N . ARG A 1 19 ? -4.688 1.704 5.898 1.00 0.00 ? 19 ARG A N 7 ATOM 8812 C CA . ARG A 1 19 ? -3.555 0.870 6.275 1.00 0.00 ? 19 ARG A CA 7 ATOM 8813 C C . ARG A 1 19 ? -2.582 0.734 5.110 1.00 0.00 ? 19 ARG A C 7 ATOM 8814 O O . ARG A 1 19 ? -1.391 0.491 5.308 1.00 0.00 ? 19 ARG A O 7 ATOM 8815 C CB . ARG A 1 19 ? -4.034 -0.513 6.723 1.00 0.00 ? 19 ARG A CB 7 ATOM 8816 C CG . ARG A 1 19 ? -3.026 -1.256 7.583 1.00 0.00 ? 19 ARG A CG 7 ATOM 8817 C CD . ARG A 1 19 ? -3.328 -1.091 9.063 1.00 0.00 ? 19 ARG A CD 7 ATOM 8818 N NE . ARG A 1 19 ? -2.871 0.198 9.576 1.00 0.00 ? 19 ARG A NE 7 ATOM 8819 C CZ . ARG A 1 19 ? -1.590 0.525 9.707 1.00 0.00 ? 19 ARG A CZ 7 ATOM 8820 N NH1 . ARG A 1 19 ? -0.644 -0.340 9.365 1.00 0.00 ? 19 ARG A NH1 7 ATOM 8821 N NH2 . ARG A 1 19 ? -1.253 1.717 10.180 1.00 0.00 ? 19 ARG A NH2 7 ATOM 8822 H H . ARG A 1 19 ? -5.567 1.290 5.775 1.00 0.00 ? 19 ARG A H 7 ATOM 8823 H HA . ARG A 1 19 ? -3.048 1.352 7.096 1.00 0.00 ? 19 ARG A HA 7 ATOM 8824 H HB2 . ARG A 1 19 ? -4.945 -0.398 7.291 1.00 0.00 ? 19 ARG A HB2 7 ATOM 8825 H HB3 . ARG A 1 19 ? -4.239 -1.111 5.847 1.00 0.00 ? 19 ARG A HB3 7 ATOM 8826 H HG2 . ARG A 1 19 ? -3.059 -2.306 7.334 1.00 0.00 ? 19 ARG A HG2 7 ATOM 8827 H HG3 . ARG A 1 19 ? -2.039 -0.867 7.380 1.00 0.00 ? 19 ARG A HG3 7 ATOM 8828 H HD2 . ARG A 1 19 ? -4.395 -1.168 9.211 1.00 0.00 ? 19 ARG A HD2 7 ATOM 8829 H HD3 . ARG A 1 19 ? -2.833 -1.881 9.609 1.00 0.00 ? 19 ARG A HD3 7 ATOM 8830 H HE . ARG A 1 19 ? -3.554 0.851 9.833 1.00 0.00 ? 19 ARG A HE 7 ATOM 8831 H HH11 . ARG A 1 19 ? -0.894 -1.239 9.008 1.00 0.00 ? 19 ARG A HH11 7 ATOM 8832 H HH12 . ARG A 1 19 ? 0.320 -0.091 9.465 1.00 0.00 ? 19 ARG A HH12 7 ATOM 8833 H HH21 . ARG A 1 19 ? -1.964 2.371 10.439 1.00 0.00 ? 19 ARG A HH21 7 ATOM 8834 H HH22 . ARG A 1 19 ? -0.288 1.961 10.279 1.00 0.00 ? 19 ARG A HH22 7 ATOM 8835 N N . LEU A 1 20 ? -3.093 0.905 3.894 1.00 0.00 ? 20 LEU A N 7 ATOM 8836 C CA . LEU A 1 20 ? -2.263 0.815 2.705 1.00 0.00 ? 20 LEU A CA 7 ATOM 8837 C C . LEU A 1 20 ? -1.340 2.021 2.621 1.00 0.00 ? 20 LEU A C 7 ATOM 8838 O O . LEU A 1 20 ? -0.154 1.886 2.328 1.00 0.00 ? 20 LEU A O 7 ATOM 8839 C CB . LEU A 1 20 ? -3.132 0.729 1.448 1.00 0.00 ? 20 LEU A CB 7 ATOM 8840 C CG . LEU A 1 20 ? -3.305 -0.680 0.871 1.00 0.00 ? 20 LEU A CG 7 ATOM 8841 C CD1 . LEU A 1 20 ? -2.071 -1.085 0.080 1.00 0.00 ? 20 LEU A CD1 7 ATOM 8842 C CD2 . LEU A 1 20 ? -3.584 -1.684 1.978 1.00 0.00 ? 20 LEU A CD2 7 ATOM 8843 H H . LEU A 1 20 ? -4.046 1.108 3.796 1.00 0.00 ? 20 LEU A H 7 ATOM 8844 H HA . LEU A 1 20 ? -1.664 -0.081 2.784 1.00 0.00 ? 20 LEU A HA 7 ATOM 8845 H HB2 . LEU A 1 20 ? -4.110 1.122 1.684 1.00 0.00 ? 20 LEU A HB2 7 ATOM 8846 H HB3 . LEU A 1 20 ? -2.689 1.350 0.687 1.00 0.00 ? 20 LEU A HB3 7 ATOM 8847 H HG . LEU A 1 20 ? -4.149 -0.683 0.195 1.00 0.00 ? 20 LEU A HG 7 ATOM 8848 H HD11 . LEU A 1 20 ? -1.766 -0.268 -0.556 1.00 0.00 ? 20 LEU A HD11 7 ATOM 8849 H HD12 . LEU A 1 20 ? -1.270 -1.329 0.763 1.00 0.00 ? 20 LEU A HD12 7 ATOM 8850 H HD13 . LEU A 1 20 ? -2.300 -1.948 -0.528 1.00 0.00 ? 20 LEU A HD13 7 ATOM 8851 H HD21 . LEU A 1 20 ? -3.667 -1.166 2.922 1.00 0.00 ? 20 LEU A HD21 7 ATOM 8852 H HD22 . LEU A 1 20 ? -4.509 -2.202 1.770 1.00 0.00 ? 20 LEU A HD22 7 ATOM 8853 H HD23 . LEU A 1 20 ? -2.776 -2.398 2.029 1.00 0.00 ? 20 LEU A HD23 7 ATOM 8854 N N . GLN A 1 21 ? -1.893 3.200 2.895 1.00 0.00 ? 21 GLN A N 7 ATOM 8855 C CA . GLN A 1 21 ? -1.115 4.432 2.862 1.00 0.00 ? 21 GLN A CA 7 ATOM 8856 C C . GLN A 1 21 ? 0.033 4.363 3.864 1.00 0.00 ? 21 GLN A C 7 ATOM 8857 O O . GLN A 1 21 ? 1.190 4.624 3.523 1.00 0.00 ? 21 GLN A O 7 ATOM 8858 C CB . GLN A 1 21 ? -2.007 5.635 3.173 1.00 0.00 ? 21 GLN A CB 7 ATOM 8859 C CG . GLN A 1 21 ? -1.698 6.858 2.325 1.00 0.00 ? 21 GLN A CG 7 ATOM 8860 C CD . GLN A 1 21 ? -1.244 8.043 3.155 1.00 0.00 ? 21 GLN A CD 7 ATOM 8861 O OE1 . GLN A 1 21 ? -0.054 8.349 3.222 1.00 0.00 ? 21 GLN A OE1 7 ATOM 8862 N NE2 . GLN A 1 21 ? -2.195 8.717 3.792 1.00 0.00 ? 21 GLN A NE2 7 ATOM 8863 H H . GLN A 1 21 ? -2.847 3.242 3.131 1.00 0.00 ? 21 GLN A H 7 ATOM 8864 H HA . GLN A 1 21 ? -0.706 4.542 1.869 1.00 0.00 ? 21 GLN A HA 7 ATOM 8865 H HB2 . GLN A 1 21 ? -3.037 5.357 3.003 1.00 0.00 ? 21 GLN A HB2 7 ATOM 8866 H HB3 . GLN A 1 21 ? -1.883 5.903 4.211 1.00 0.00 ? 21 GLN A HB3 7 ATOM 8867 H HG2 . GLN A 1 21 ? -0.914 6.607 1.626 1.00 0.00 ? 21 GLN A HG2 7 ATOM 8868 H HG3 . GLN A 1 21 ? -2.587 7.137 1.780 1.00 0.00 ? 21 GLN A HG3 7 ATOM 8869 H HE21 . GLN A 1 21 ? -3.122 8.416 3.693 1.00 0.00 ? 21 GLN A HE21 7 ATOM 8870 H HE22 . GLN A 1 21 ? -1.930 9.488 4.336 1.00 0.00 ? 21 GLN A HE22 7 ATOM 8871 N N . LYS A 1 22 ? -0.291 4.001 5.102 1.00 0.00 ? 22 LYS A N 7 ATOM 8872 C CA . LYS A 1 22 ? 0.714 3.889 6.150 1.00 0.00 ? 22 LYS A CA 7 ATOM 8873 C C . LYS A 1 22 ? 1.721 2.795 5.815 1.00 0.00 ? 22 LYS A C 7 ATOM 8874 O O . LYS A 1 22 ? 2.865 2.828 6.266 1.00 0.00 ? 22 LYS A O 7 ATOM 8875 C CB . LYS A 1 22 ? 0.050 3.594 7.497 1.00 0.00 ? 22 LYS A CB 7 ATOM 8876 C CG . LYS A 1 22 ? -0.033 4.804 8.413 1.00 0.00 ? 22 LYS A CG 7 ATOM 8877 C CD . LYS A 1 22 ? -1.000 5.846 7.873 1.00 0.00 ? 22 LYS A CD 7 ATOM 8878 C CE . LYS A 1 22 ? -0.265 6.986 7.189 1.00 0.00 ? 22 LYS A CE 7 ATOM 8879 N NZ . LYS A 1 22 ? -0.287 8.231 8.006 1.00 0.00 ? 22 LYS A NZ 7 ATOM 8880 H H . LYS A 1 22 ? -1.229 3.798 5.313 1.00 0.00 ? 22 LYS A H 7 ATOM 8881 H HA . LYS A 1 22 ? 1.234 4.833 6.214 1.00 0.00 ? 22 LYS A HA 7 ATOM 8882 H HB2 . LYS A 1 22 ? -0.953 3.234 7.319 1.00 0.00 ? 22 LYS A HB2 7 ATOM 8883 H HB3 . LYS A 1 22 ? 0.614 2.825 8.003 1.00 0.00 ? 22 LYS A HB3 7 ATOM 8884 H HG2 . LYS A 1 22 ? -0.372 4.483 9.386 1.00 0.00 ? 22 LYS A HG2 7 ATOM 8885 H HG3 . LYS A 1 22 ? 0.948 5.247 8.499 1.00 0.00 ? 22 LYS A HG3 7 ATOM 8886 H HD2 . LYS A 1 22 ? -1.659 5.375 7.158 1.00 0.00 ? 22 LYS A HD2 7 ATOM 8887 H HD3 . LYS A 1 22 ? -1.581 6.243 8.693 1.00 0.00 ? 22 LYS A HD3 7 ATOM 8888 H HE2 . LYS A 1 22 ? 0.762 6.692 7.028 1.00 0.00 ? 22 LYS A HE2 7 ATOM 8889 H HE3 . LYS A 1 22 ? -0.736 7.183 6.237 1.00 0.00 ? 22 LYS A HE3 7 ATOM 8890 H HZ1 . LYS A 1 22 ? -0.060 8.013 8.997 1.00 0.00 ? 22 LYS A HZ1 7 ATOM 8891 H HZ2 . LYS A 1 22 ? 0.412 8.910 7.644 1.00 0.00 ? 22 LYS A HZ2 7 ATOM 8892 H HZ3 . LYS A 1 22 ? -1.231 8.668 7.967 1.00 0.00 ? 22 LYS A HZ3 7 ATOM 8893 N N . GLU A 1 23 ? 1.285 1.825 5.016 1.00 0.00 ? 23 GLU A N 7 ATOM 8894 C CA . GLU A 1 23 ? 2.145 0.719 4.614 1.00 0.00 ? 23 GLU A CA 7 ATOM 8895 C C . GLU A 1 23 ? 3.160 1.170 3.569 1.00 0.00 ? 23 GLU A C 7 ATOM 8896 O O . GLU A 1 23 ? 4.278 0.656 3.512 1.00 0.00 ? 23 GLU A O 7 ATOM 8897 C CB . GLU A 1 23 ? 1.306 -0.434 4.061 1.00 0.00 ? 23 GLU A CB 7 ATOM 8898 C CG . GLU A 1 23 ? 2.135 -1.574 3.495 1.00 0.00 ? 23 GLU A CG 7 ATOM 8899 C CD . GLU A 1 23 ? 3.254 -1.998 4.425 1.00 0.00 ? 23 GLU A CD 7 ATOM 8900 O OE1 . GLU A 1 23 ? 2.954 -2.555 5.501 1.00 0.00 ? 23 GLU A OE1 7 ATOM 8901 O OE2 . GLU A 1 23 ? 4.433 -1.772 4.077 1.00 0.00 ? 23 GLU A OE2 7 ATOM 8902 H H . GLU A 1 23 ? 0.362 1.854 4.687 1.00 0.00 ? 23 GLU A H 7 ATOM 8903 H HA . GLU A 1 23 ? 2.676 0.378 5.491 1.00 0.00 ? 23 GLU A HA 7 ATOM 8904 H HB2 . GLU A 1 23 ? 0.688 -0.826 4.856 1.00 0.00 ? 23 GLU A HB2 7 ATOM 8905 H HB3 . GLU A 1 23 ? 0.668 -0.055 3.276 1.00 0.00 ? 23 GLU A HB3 7 ATOM 8906 H HG2 . GLU A 1 23 ? 1.489 -2.422 3.326 1.00 0.00 ? 23 GLU A HG2 7 ATOM 8907 H HG3 . GLU A 1 23 ? 2.566 -1.257 2.557 1.00 0.00 ? 23 GLU A HG3 7 ATOM 8908 N N . ILE A 1 24 ? 2.768 2.139 2.744 1.00 0.00 ? 24 ILE A N 7 ATOM 8909 C CA . ILE A 1 24 ? 3.654 2.654 1.707 1.00 0.00 ? 24 ILE A CA 7 ATOM 8910 C C . ILE A 1 24 ? 4.797 3.450 2.341 1.00 0.00 ? 24 ILE A C 7 ATOM 8911 O O . ILE A 1 24 ? 5.957 3.321 1.947 1.00 0.00 ? 24 ILE A O 7 ATOM 8912 C CB . ILE A 1 24 ? 2.887 3.514 0.644 1.00 0.00 ? 24 ILE A CB 7 ATOM 8913 C CG1 . ILE A 1 24 ? 2.931 5.019 0.956 1.00 0.00 ? 24 ILE A CG1 7 ATOM 8914 C CG2 . ILE A 1 24 ? 1.440 3.057 0.522 1.00 0.00 ? 24 ILE A CG2 7 ATOM 8915 C CD1 . ILE A 1 24 ? 4.228 5.676 0.536 1.00 0.00 ? 24 ILE A CD1 7 ATOM 8916 H H . ILE A 1 24 ? 1.869 2.514 2.841 1.00 0.00 ? 24 ILE A H 7 ATOM 8917 H HA . ILE A 1 24 ? 4.081 1.800 1.196 1.00 0.00 ? 24 ILE A HA 7 ATOM 8918 H HB . ILE A 1 24 ? 3.361 3.346 -0.312 1.00 0.00 ? 24 ILE A HB 7 ATOM 8919 H HG12 . ILE A 1 24 ? 2.125 5.512 0.434 1.00 0.00 ? 24 ILE A HG12 7 ATOM 8920 H HG13 . ILE A 1 24 ? 2.810 5.166 2.018 1.00 0.00 ? 24 ILE A HG13 7 ATOM 8921 H HG21 . ILE A 1 24 ? 1.391 1.983 0.625 1.00 0.00 ? 24 ILE A HG21 7 ATOM 8922 H HG22 . ILE A 1 24 ? 0.851 3.519 1.299 1.00 0.00 ? 24 ILE A HG22 7 ATOM 8923 H HG23 . ILE A 1 24 ? 1.052 3.344 -0.441 1.00 0.00 ? 24 ILE A HG23 7 ATOM 8924 H HD11 . ILE A 1 24 ? 4.876 4.937 0.084 1.00 0.00 ? 24 ILE A HD11 7 ATOM 8925 H HD12 . ILE A 1 24 ? 4.021 6.458 -0.177 1.00 0.00 ? 24 ILE A HD12 7 ATOM 8926 H HD13 . ILE A 1 24 ? 4.715 6.097 1.403 1.00 0.00 ? 24 ILE A HD13 7 ATOM 8927 N N . GLU A 1 25 ? 4.453 4.264 3.336 1.00 0.00 ? 25 GLU A N 7 ATOM 8928 C CA . GLU A 1 25 ? 5.440 5.074 4.037 1.00 0.00 ? 25 GLU A CA 7 ATOM 8929 C C . GLU A 1 25 ? 6.445 4.183 4.756 1.00 0.00 ? 25 GLU A C 7 ATOM 8930 O O . GLU A 1 25 ? 7.651 4.425 4.709 1.00 0.00 ? 25 GLU A O 7 ATOM 8931 C CB . GLU A 1 25 ? 4.752 6.002 5.041 1.00 0.00 ? 25 GLU A CB 7 ATOM 8932 C CG . GLU A 1 25 ? 5.665 7.086 5.592 1.00 0.00 ? 25 GLU A CG 7 ATOM 8933 C CD . GLU A 1 25 ? 5.314 8.464 5.068 1.00 0.00 ? 25 GLU A CD 7 ATOM 8934 O OE1 . GLU A 1 25 ? 5.358 8.660 3.835 1.00 0.00 ? 25 GLU A OE1 7 ATOM 8935 O OE2 . GLU A 1 25 ? 4.995 9.349 5.890 1.00 0.00 ? 25 GLU A OE2 7 ATOM 8936 H H . GLU A 1 25 ? 3.511 4.316 3.609 1.00 0.00 ? 25 GLU A H 7 ATOM 8937 H HA . GLU A 1 25 ? 5.962 5.671 3.305 1.00 0.00 ? 25 GLU A HA 7 ATOM 8938 H HB2 . GLU A 1 25 ? 3.914 6.479 4.557 1.00 0.00 ? 25 GLU A HB2 7 ATOM 8939 H HB3 . GLU A 1 25 ? 4.390 5.412 5.870 1.00 0.00 ? 25 GLU A HB3 7 ATOM 8940 H HG2 . GLU A 1 25 ? 5.582 7.095 6.669 1.00 0.00 ? 25 GLU A HG2 7 ATOM 8941 H HG3 . GLU A 1 25 ? 6.683 6.858 5.312 1.00 0.00 ? 25 GLU A HG3 7 ATOM 8942 N N . ARG A 1 26 ? 5.939 3.144 5.413 1.00 0.00 ? 26 ARG A N 7 ATOM 8943 C CA . ARG A 1 26 ? 6.793 2.208 6.131 1.00 0.00 ? 26 ARG A CA 7 ATOM 8944 C C . ARG A 1 26 ? 7.799 1.574 5.180 1.00 0.00 ? 26 ARG A C 7 ATOM 8945 O O . ARG A 1 26 ? 8.955 1.350 5.540 1.00 0.00 ? 26 ARG A O 7 ATOM 8946 C CB . ARG A 1 26 ? 5.949 1.123 6.803 1.00 0.00 ? 26 ARG A CB 7 ATOM 8947 C CG . ARG A 1 26 ? 5.714 1.365 8.285 1.00 0.00 ? 26 ARG A CG 7 ATOM 8948 C CD . ARG A 1 26 ? 4.931 0.227 8.918 1.00 0.00 ? 26 ARG A CD 7 ATOM 8949 N NE . ARG A 1 26 ? 5.512 -0.196 10.190 1.00 0.00 ? 26 ARG A NE 7 ATOM 8950 C CZ . ARG A 1 26 ? 4.859 -0.922 11.092 1.00 0.00 ? 26 ARG A CZ 7 ATOM 8951 N NH1 . ARG A 1 26 ? 3.609 -1.303 10.860 1.00 0.00 ? 26 ARG A NH1 7 ATOM 8952 N NH2 . ARG A 1 26 ? 5.454 -1.267 12.224 1.00 0.00 ? 26 ARG A NH2 7 ATOM 8953 H H . ARG A 1 26 ? 4.970 3.000 5.407 1.00 0.00 ? 26 ARG A H 7 ATOM 8954 H HA . ARG A 1 26 ? 7.328 2.761 6.889 1.00 0.00 ? 26 ARG A HA 7 ATOM 8955 H HB2 . ARG A 1 26 ? 4.988 1.075 6.311 1.00 0.00 ? 26 ARG A HB2 7 ATOM 8956 H HB3 . ARG A 1 26 ? 6.450 0.172 6.690 1.00 0.00 ? 26 ARG A HB3 7 ATOM 8957 H HG2 . ARG A 1 26 ? 6.670 1.450 8.781 1.00 0.00 ? 26 ARG A HG2 7 ATOM 8958 H HG3 . ARG A 1 26 ? 5.160 2.284 8.406 1.00 0.00 ? 26 ARG A HG3 7 ATOM 8959 H HD2 . ARG A 1 26 ? 3.917 0.557 9.089 1.00 0.00 ? 26 ARG A HD2 7 ATOM 8960 H HD3 . ARG A 1 26 ? 4.926 -0.612 8.238 1.00 0.00 ? 26 ARG A HD3 7 ATOM 8961 H HE . ARG A 1 26 ? 6.434 0.075 10.380 1.00 0.00 ? 26 ARG A HE 7 ATOM 8962 H HH11 . ARG A 1 26 ? 3.157 -1.044 10.007 1.00 0.00 ? 26 ARG A HH11 7 ATOM 8963 H HH12 . ARG A 1 26 ? 3.120 -1.850 11.540 1.00 0.00 ? 26 ARG A HH12 7 ATOM 8964 H HH21 . ARG A 1 26 ? 6.396 -0.982 12.402 1.00 0.00 ? 26 ARG A HH21 7 ATOM 8965 H HH22 . ARG A 1 26 ? 4.962 -1.814 12.902 1.00 0.00 ? 26 ARG A HH22 7 ATOM 8966 N N . HIS A 1 27 ? 7.354 1.300 3.957 1.00 0.00 ? 27 HIS A N 7 ATOM 8967 C CA . HIS A 1 27 ? 8.218 0.704 2.949 1.00 0.00 ? 27 HIS A CA 7 ATOM 8968 C C . HIS A 1 27 ? 9.287 1.699 2.517 1.00 0.00 ? 27 HIS A C 7 ATOM 8969 O O . HIS A 1 27 ? 10.385 1.315 2.119 1.00 0.00 ? 27 HIS A O 7 ATOM 8970 C CB . HIS A 1 27 ? 7.396 0.257 1.740 1.00 0.00 ? 27 HIS A CB 7 ATOM 8971 C CG . HIS A 1 27 ? 7.239 -1.229 1.640 1.00 0.00 ? 27 HIS A CG 7 ATOM 8972 N ND1 . HIS A 1 27 ? 8.304 -2.090 1.482 1.00 0.00 ? 27 HIS A ND1 7 ATOM 8973 C CD2 . HIS A 1 27 ? 6.130 -2.007 1.676 1.00 0.00 ? 27 HIS A CD2 7 ATOM 8974 C CE1 . HIS A 1 27 ? 7.859 -3.334 1.425 1.00 0.00 ? 27 HIS A CE1 7 ATOM 8975 N NE2 . HIS A 1 27 ? 6.544 -3.309 1.540 1.00 0.00 ? 27 HIS A NE2 7 ATOM 8976 H H . HIS A 1 27 ? 6.424 1.511 3.727 1.00 0.00 ? 27 HIS A H 7 ATOM 8977 H HA . HIS A 1 27 ? 8.699 -0.157 3.389 1.00 0.00 ? 27 HIS A HA 7 ATOM 8978 H HB2 . HIS A 1 27 ? 6.409 0.691 1.802 1.00 0.00 ? 27 HIS A HB2 7 ATOM 8979 H HB3 . HIS A 1 27 ? 7.879 0.602 0.837 1.00 0.00 ? 27 HIS A HB3 7 ATOM 8980 H HD1 . HIS A 1 27 ? 9.247 -1.830 1.420 1.00 0.00 ? 27 HIS A HD1 7 ATOM 8981 H HD2 . HIS A 1 27 ? 5.111 -1.667 1.791 1.00 0.00 ? 27 HIS A HD2 7 ATOM 8982 H HE1 . HIS A 1 27 ? 8.467 -4.218 1.305 1.00 0.00 ? 27 HIS A HE1 7 ATOM 8983 H HE2 . HIS A 1 27 ? 5.961 -4.096 1.531 1.00 0.00 ? 27 HIS A HE2 7 ATOM 8984 N N . LYS A 1 28 ? 8.954 2.985 2.599 1.00 0.00 ? 28 LYS A N 7 ATOM 8985 C CA . LYS A 1 28 ? 9.881 4.045 2.222 1.00 0.00 ? 28 LYS A CA 7 ATOM 8986 C C . LYS A 1 28 ? 10.993 4.183 3.256 1.00 0.00 ? 28 LYS A C 7 ATOM 8987 O O . LYS A 1 28 ? 12.109 4.590 2.933 1.00 0.00 ? 28 LYS A O 7 ATOM 8988 C CB . LYS A 1 28 ? 9.138 5.374 2.073 1.00 0.00 ? 28 LYS A CB 7 ATOM 8989 C CG . LYS A 1 28 ? 9.993 6.487 1.490 1.00 0.00 ? 28 LYS A CG 7 ATOM 8990 C CD . LYS A 1 28 ? 9.508 7.855 1.940 1.00 0.00 ? 28 LYS A CD 7 ATOM 8991 C CE . LYS A 1 28 ? 10.400 8.431 3.029 1.00 0.00 ? 28 LYS A CE 7 ATOM 8992 N NZ . LYS A 1 28 ? 10.462 9.918 2.967 1.00 0.00 ? 28 LYS A NZ 7 ATOM 8993 H H . LYS A 1 28 ? 8.061 3.226 2.925 1.00 0.00 ? 28 LYS A H 7 ATOM 8994 H HA . LYS A 1 28 ? 10.321 3.780 1.272 1.00 0.00 ? 28 LYS A HA 7 ATOM 8995 H HB2 . LYS A 1 28 ? 8.287 5.226 1.426 1.00 0.00 ? 28 LYS A HB2 7 ATOM 8996 H HB3 . LYS A 1 28 ? 8.790 5.688 3.046 1.00 0.00 ? 28 LYS A HB3 7 ATOM 8997 H HG2 . LYS A 1 28 ? 11.014 6.352 1.817 1.00 0.00 ? 28 LYS A HG2 7 ATOM 8998 H HG3 . LYS A 1 28 ? 9.949 6.436 0.412 1.00 0.00 ? 28 LYS A HG3 7 ATOM 8999 H HD2 . LYS A 1 28 ? 9.514 8.525 1.094 1.00 0.00 ? 28 LYS A HD2 7 ATOM 9000 H HD3 . LYS A 1 28 ? 8.503 7.762 2.323 1.00 0.00 ? 28 LYS A HD3 7 ATOM 9001 H HE2 . LYS A 1 28 ? 10.009 8.136 3.992 1.00 0.00 ? 28 LYS A HE2 7 ATOM 9002 H HE3 . LYS A 1 28 ? 11.397 8.033 2.909 1.00 0.00 ? 28 LYS A HE3 7 ATOM 9003 H HZ1 . LYS A 1 28 ? 10.486 10.234 1.977 1.00 0.00 ? 28 LYS A HZ1 7 ATOM 9004 H HZ2 . LYS A 1 28 ? 9.627 10.330 3.432 1.00 0.00 ? 28 LYS A HZ2 7 ATOM 9005 H HZ3 . LYS A 1 28 ? 11.317 10.261 3.449 1.00 0.00 ? 28 LYS A HZ3 7 ATOM 9006 N N . GLN A 1 29 ? 10.681 3.838 4.501 1.00 0.00 ? 29 GLN A N 7 ATOM 9007 C CA . GLN A 1 29 ? 11.656 3.921 5.583 1.00 0.00 ? 29 GLN A CA 7 ATOM 9008 C C . GLN A 1 29 ? 12.629 2.749 5.526 1.00 0.00 ? 29 GLN A C 7 ATOM 9009 O O . GLN A 1 29 ? 13.811 2.897 5.836 1.00 0.00 ? 29 GLN A O 7 ATOM 9010 C CB . GLN A 1 29 ? 10.945 3.947 6.937 1.00 0.00 ? 29 GLN A CB 7 ATOM 9011 C CG . GLN A 1 29 ? 11.717 4.689 8.014 1.00 0.00 ? 29 GLN A CG 7 ATOM 9012 C CD . GLN A 1 29 ? 11.091 6.024 8.365 1.00 0.00 ? 29 GLN A CD 7 ATOM 9013 O OE1 . GLN A 1 29 ? 10.293 6.123 9.298 1.00 0.00 ? 29 GLN A OE1 7 ATOM 9014 N NE2 . GLN A 1 29 ? 11.449 7.061 7.617 1.00 0.00 ? 29 GLN A NE2 7 ATOM 9015 H H . GLN A 1 29 ? 9.775 3.520 4.696 1.00 0.00 ? 29 GLN A H 7 ATOM 9016 H HA . GLN A 1 29 ? 12.210 4.840 5.459 1.00 0.00 ? 29 GLN A HA 7 ATOM 9017 H HB2 . GLN A 1 29 ? 9.984 4.426 6.817 1.00 0.00 ? 29 GLN A HB2 7 ATOM 9018 H HB3 . GLN A 1 29 ? 10.792 2.930 7.269 1.00 0.00 ? 29 GLN A HB3 7 ATOM 9019 H HG2 . GLN A 1 29 ? 11.747 4.077 8.905 1.00 0.00 ? 29 GLN A HG2 7 ATOM 9020 H HG3 . GLN A 1 29 ? 12.724 4.861 7.664 1.00 0.00 ? 29 GLN A HG3 7 ATOM 9021 H HE21 . GLN A 1 29 ? 12.089 6.908 6.890 1.00 0.00 ? 29 GLN A HE21 7 ATOM 9022 H HE22 . GLN A 1 29 ? 11.060 7.936 7.821 1.00 0.00 ? 29 GLN A HE22 7 ATOM 9023 N N . SER A 1 30 ? 12.125 1.584 5.130 1.00 0.00 ? 30 SER A N 7 ATOM 9024 C CA . SER A 1 30 ? 12.953 0.387 5.034 1.00 0.00 ? 30 SER A CA 7 ATOM 9025 C C . SER A 1 30 ? 13.851 0.442 3.802 1.00 0.00 ? 30 SER A C 7 ATOM 9026 O O . SER A 1 30 ? 14.972 -0.065 3.817 1.00 0.00 ? 30 SER A O 7 ATOM 9027 C CB . SER A 1 30 ? 12.074 -0.865 4.983 1.00 0.00 ? 30 SER A CB 7 ATOM 9028 O OG . SER A 1 30 ? 11.885 -1.408 6.278 1.00 0.00 ? 30 SER A OG 7 ATOM 9029 H H . SER A 1 30 ? 11.174 1.529 4.897 1.00 0.00 ? 30 SER A H 7 ATOM 9030 H HA . SER A 1 30 ? 13.575 0.344 5.915 1.00 0.00 ? 30 SER A HA 7 ATOM 9031 H HB2 . SER A 1 30 ? 11.110 -0.609 4.571 1.00 0.00 ? 30 SER A HB2 7 ATOM 9032 H HB3 . SER A 1 30 ? 12.548 -1.609 4.358 1.00 0.00 ? 30 SER A HB3 7 ATOM 9033 H HG . SER A 1 30 ? 12.707 -1.800 6.584 1.00 0.00 ? 30 SER A HG 7 ATOM 9034 N N . ILE A 1 31 ? 13.351 1.062 2.738 1.00 0.00 ? 31 ILE A N 7 ATOM 9035 C CA . ILE A 1 31 ? 14.109 1.185 1.499 1.00 0.00 ? 31 ILE A CA 7 ATOM 9036 C C . ILE A 1 31 ? 15.177 2.265 1.618 1.00 0.00 ? 31 ILE A C 7 ATOM 9037 O O . ILE A 1 31 ? 16.243 2.168 1.011 1.00 0.00 ? 31 ILE A O 7 ATOM 9038 C CB . ILE A 1 31 ? 13.190 1.511 0.306 1.00 0.00 ? 31 ILE A CB 7 ATOM 9039 C CG1 . ILE A 1 31 ? 14.002 1.485 -1.010 1.00 0.00 ? 31 ILE A CG1 7 ATOM 9040 C CG2 . ILE A 1 31 ? 12.479 2.843 0.538 1.00 0.00 ? 31 ILE A CG2 7 ATOM 9041 C CD1 . ILE A 1 31 ? 14.194 2.828 -1.700 1.00 0.00 ? 31 ILE A CD1 7 ATOM 9042 H H . ILE A 1 31 ? 12.452 1.447 2.789 1.00 0.00 ? 31 ILE A H 7 ATOM 9043 H HA . ILE A 1 31 ? 14.590 0.236 1.307 1.00 0.00 ? 31 ILE A HA 7 ATOM 9044 H HB . ILE A 1 31 ? 12.430 0.744 0.257 1.00 0.00 ? 31 ILE A HB 7 ATOM 9045 H HG12 . ILE A 1 31 ? 14.983 1.089 -0.803 1.00 0.00 ? 31 ILE A HG12 7 ATOM 9046 H HG13 . ILE A 1 31 ? 13.504 0.828 -1.708 1.00 0.00 ? 31 ILE A HG13 7 ATOM 9047 H HG21 . ILE A 1 31 ? 12.001 2.832 1.506 1.00 0.00 ? 31 ILE A HG21 7 ATOM 9048 H HG22 . ILE A 1 31 ? 13.199 3.647 0.502 1.00 0.00 ? 31 ILE A HG22 7 ATOM 9049 H HG23 . ILE A 1 31 ? 11.734 2.992 -0.228 1.00 0.00 ? 31 ILE A HG23 7 ATOM 9050 H HD11 . ILE A 1 31 ? 13.264 3.377 -1.689 1.00 0.00 ? 31 ILE A HD11 7 ATOM 9051 H HD12 . ILE A 1 31 ? 14.952 3.395 -1.181 1.00 0.00 ? 31 ILE A HD12 7 ATOM 9052 H HD13 . ILE A 1 31 ? 14.503 2.666 -2.722 1.00 0.00 ? 31 ILE A HD13 7 ATOM 9053 N N . LYS A 1 32 ? 14.886 3.290 2.412 1.00 0.00 ? 32 LYS A N 7 ATOM 9054 C CA . LYS A 1 32 ? 15.825 4.386 2.616 1.00 0.00 ? 32 LYS A CA 7 ATOM 9055 C C . LYS A 1 32 ? 16.938 3.970 3.572 1.00 0.00 ? 32 LYS A C 7 ATOM 9056 O O . LYS A 1 32 ? 18.092 4.367 3.407 1.00 0.00 ? 32 LYS A O 7 ATOM 9057 C CB . LYS A 1 32 ? 15.098 5.616 3.163 1.00 0.00 ? 32 LYS A CB 7 ATOM 9058 C CG . LYS A 1 32 ? 15.839 6.919 2.919 1.00 0.00 ? 32 LYS A CG 7 ATOM 9059 C CD . LYS A 1 32 ? 15.748 7.846 4.120 1.00 0.00 ? 32 LYS A CD 7 ATOM 9060 C CE . LYS A 1 32 ? 16.464 7.265 5.328 1.00 0.00 ? 32 LYS A CE 7 ATOM 9061 N NZ . LYS A 1 32 ? 15.715 7.512 6.590 1.00 0.00 ? 32 LYS A NZ 7 ATOM 9062 H H . LYS A 1 32 ? 14.021 3.309 2.873 1.00 0.00 ? 32 LYS A H 7 ATOM 9063 H HA . LYS A 1 32 ? 16.262 4.632 1.659 1.00 0.00 ? 32 LYS A HA 7 ATOM 9064 H HB2 . LYS A 1 32 ? 14.128 5.685 2.693 1.00 0.00 ? 32 LYS A HB2 7 ATOM 9065 H HB3 . LYS A 1 32 ? 14.965 5.497 4.228 1.00 0.00 ? 32 LYS A HB3 7 ATOM 9066 H HG2 . LYS A 1 32 ? 16.878 6.701 2.724 1.00 0.00 ? 32 LYS A HG2 7 ATOM 9067 H HG3 . LYS A 1 32 ? 15.407 7.413 2.060 1.00 0.00 ? 32 LYS A HG3 7 ATOM 9068 H HD2 . LYS A 1 32 ? 16.201 8.793 3.868 1.00 0.00 ? 32 LYS A HD2 7 ATOM 9069 H HD3 . LYS A 1 32 ? 14.707 7.997 4.367 1.00 0.00 ? 32 LYS A HD3 7 ATOM 9070 H HE2 . LYS A 1 32 ? 16.571 6.199 5.187 1.00 0.00 ? 32 LYS A HE2 7 ATOM 9071 H HE3 . LYS A 1 32 ? 17.441 7.718 5.404 1.00 0.00 ? 32 LYS A HE3 7 ATOM 9072 H HZ1 . LYS A 1 32 ? 14.713 7.263 6.468 1.00 0.00 ? 32 LYS A HZ1 7 ATOM 9073 H HZ2 . LYS A 1 32 ? 16.111 6.938 7.361 1.00 0.00 ? 32 LYS A HZ2 7 ATOM 9074 H HZ3 . LYS A 1 32 ? 15.780 8.517 6.853 1.00 0.00 ? 32 LYS A HZ3 7 ATOM 9075 N N . LYS A 1 33 ? 16.585 3.167 4.569 1.00 0.00 ? 33 LYS A N 7 ATOM 9076 C CA . LYS A 1 33 ? 17.555 2.695 5.549 1.00 0.00 ? 33 LYS A CA 7 ATOM 9077 C C . LYS A 1 33 ? 18.441 1.610 4.949 1.00 0.00 ? 33 LYS A C 7 ATOM 9078 O O . LYS A 1 33 ? 19.620 1.500 5.286 1.00 0.00 ? 33 LYS A O 7 ATOM 9079 C CB . LYS A 1 33 ? 16.841 2.160 6.791 1.00 0.00 ? 33 LYS A CB 7 ATOM 9080 C CG . LYS A 1 33 ? 17.334 2.779 8.090 1.00 0.00 ? 33 LYS A CG 7 ATOM 9081 C CD . LYS A 1 33 ? 17.070 1.867 9.277 1.00 0.00 ? 33 LYS A CD 7 ATOM 9082 C CE . LYS A 1 33 ? 15.585 1.774 9.588 1.00 0.00 ? 33 LYS A CE 7 ATOM 9083 N NZ . LYS A 1 33 ? 15.136 0.361 9.732 1.00 0.00 ? 33 LYS A NZ 7 ATOM 9084 H H . LYS A 1 33 ? 15.649 2.882 4.647 1.00 0.00 ? 33 LYS A H 7 ATOM 9085 H HA . LYS A 1 33 ? 18.175 3.533 5.832 1.00 0.00 ? 33 LYS A HA 7 ATOM 9086 H HB2 . LYS A 1 33 ? 15.784 2.361 6.700 1.00 0.00 ? 33 LYS A HB2 7 ATOM 9087 H HB3 . LYS A 1 33 ? 16.991 1.092 6.848 1.00 0.00 ? 33 LYS A HB3 7 ATOM 9088 H HG2 . LYS A 1 33 ? 18.396 2.955 8.013 1.00 0.00 ? 33 LYS A HG2 7 ATOM 9089 H HG3 . LYS A 1 33 ? 16.821 3.717 8.246 1.00 0.00 ? 33 LYS A HG3 7 ATOM 9090 H HD2 . LYS A 1 33 ? 17.442 0.880 9.049 1.00 0.00 ? 33 LYS A HD2 7 ATOM 9091 H HD3 . LYS A 1 33 ? 17.587 2.259 10.141 1.00 0.00 ? 33 LYS A HD3 7 ATOM 9092 H HE2 . LYS A 1 33 ? 15.390 2.299 10.512 1.00 0.00 ? 33 LYS A HE2 7 ATOM 9093 H HE3 . LYS A 1 33 ? 15.032 2.239 8.786 1.00 0.00 ? 33 LYS A HE3 7 ATOM 9094 H HZ1 . LYS A 1 33 ? 15.922 -0.287 9.526 1.00 0.00 ? 33 LYS A HZ1 7 ATOM 9095 H HZ2 . LYS A 1 33 ? 14.803 0.189 10.703 1.00 0.00 ? 33 LYS A HZ2 7 ATOM 9096 H HZ3 . LYS A 1 33 ? 14.357 0.165 9.070 1.00 0.00 ? 33 LYS A HZ3 7 ATOM 9097 N N . LEU A 1 34 ? 17.868 0.812 4.054 1.00 0.00 ? 34 LEU A N 7 ATOM 9098 C CA . LEU A 1 34 ? 18.608 -0.262 3.404 1.00 0.00 ? 34 LEU A CA 7 ATOM 9099 C C . LEU A 1 34 ? 19.574 0.302 2.370 1.00 0.00 ? 34 LEU A C 7 ATOM 9100 O O . LEU A 1 34 ? 20.653 -0.249 2.147 1.00 0.00 ? 34 LEU A O 7 ATOM 9101 C CB . LEU A 1 34 ? 17.645 -1.246 2.738 1.00 0.00 ? 34 LEU A CB 7 ATOM 9102 C CG . LEU A 1 34 ? 17.460 -2.572 3.479 1.00 0.00 ? 34 LEU A CG 7 ATOM 9103 C CD1 . LEU A 1 34 ? 16.324 -3.373 2.863 1.00 0.00 ? 34 LEU A CD1 7 ATOM 9104 C CD2 . LEU A 1 34 ? 18.752 -3.375 3.461 1.00 0.00 ? 34 LEU A CD2 7 ATOM 9105 H H . LEU A 1 34 ? 16.925 0.951 3.823 1.00 0.00 ? 34 LEU A H 7 ATOM 9106 H HA . LEU A 1 34 ? 19.173 -0.781 4.163 1.00 0.00 ? 34 LEU A HA 7 ATOM 9107 H HB2 . LEU A 1 34 ? 16.680 -0.769 2.650 1.00 0.00 ? 34 LEU A HB2 7 ATOM 9108 H HB3 . LEU A 1 34 ? 18.012 -1.463 1.747 1.00 0.00 ? 34 LEU A HB3 7 ATOM 9109 H HG . LEU A 1 34 ? 17.205 -2.369 4.509 1.00 0.00 ? 34 LEU A HG 7 ATOM 9110 H HD11 . LEU A 1 34 ? 15.477 -2.724 2.693 1.00 0.00 ? 34 LEU A HD11 7 ATOM 9111 H HD12 . LEU A 1 34 ? 16.648 -3.795 1.924 1.00 0.00 ? 34 LEU A HD12 7 ATOM 9112 H HD13 . LEU A 1 34 ? 16.038 -4.169 3.536 1.00 0.00 ? 34 LEU A HD13 7 ATOM 9113 H HD21 . LEU A 1 34 ? 19.577 -2.737 3.740 1.00 0.00 ? 34 LEU A HD21 7 ATOM 9114 H HD22 . LEU A 1 34 ? 18.676 -4.193 4.162 1.00 0.00 ? 34 LEU A HD22 7 ATOM 9115 H HD23 . LEU A 1 34 ? 18.919 -3.766 2.467 1.00 0.00 ? 34 LEU A HD23 7 ATOM 9116 N N . LYS A 1 35 ? 19.183 1.407 1.741 1.00 0.00 ? 35 LYS A N 7 ATOM 9117 C CA . LYS A 1 35 ? 20.017 2.047 0.732 1.00 0.00 ? 35 LYS A CA 7 ATOM 9118 C C . LYS A 1 35 ? 21.225 2.717 1.375 1.00 0.00 ? 35 LYS A C 7 ATOM 9119 O O . LYS A 1 35 ? 22.335 2.662 0.843 1.00 0.00 ? 35 LYS A O 7 ATOM 9120 C CB . LYS A 1 35 ? 19.204 3.078 -0.054 1.00 0.00 ? 35 LYS A CB 7 ATOM 9121 C CG . LYS A 1 35 ? 19.256 2.873 -1.559 1.00 0.00 ? 35 LYS A CG 7 ATOM 9122 C CD . LYS A 1 35 ? 18.492 3.961 -2.295 1.00 0.00 ? 35 LYS A CD 7 ATOM 9123 C CE . LYS A 1 35 ? 17.655 3.385 -3.426 1.00 0.00 ? 35 LYS A CE 7 ATOM 9124 N NZ . LYS A 1 35 ? 18.501 2.800 -4.502 1.00 0.00 ? 35 LYS A NZ 7 ATOM 9125 H H . LYS A 1 35 ? 18.312 1.800 1.964 1.00 0.00 ? 35 LYS A H 7 ATOM 9126 H HA . LYS A 1 35 ? 20.363 1.282 0.054 1.00 0.00 ? 35 LYS A HA 7 ATOM 9127 H HB2 . LYS A 1 35 ? 18.172 3.020 0.260 1.00 0.00 ? 35 LYS A HB2 7 ATOM 9128 H HB3 . LYS A 1 35 ? 19.584 4.064 0.167 1.00 0.00 ? 35 LYS A HB3 7 ATOM 9129 H HG2 . LYS A 1 35 ? 20.287 2.892 -1.880 1.00 0.00 ? 35 LYS A HG2 7 ATOM 9130 H HG3 . LYS A 1 35 ? 18.820 1.914 -1.797 1.00 0.00 ? 35 LYS A HG3 7 ATOM 9131 H HD2 . LYS A 1 35 ? 17.839 4.464 -1.598 1.00 0.00 ? 35 LYS A HD2 7 ATOM 9132 H HD3 . LYS A 1 35 ? 19.197 4.669 -2.706 1.00 0.00 ? 35 LYS A HD3 7 ATOM 9133 H HE2 . LYS A 1 35 ? 17.013 2.614 -3.026 1.00 0.00 ? 35 LYS A HE2 7 ATOM 9134 H HE3 . LYS A 1 35 ? 17.048 4.175 -3.846 1.00 0.00 ? 35 LYS A HE3 7 ATOM 9135 H HZ1 . LYS A 1 35 ? 19.506 2.867 -4.242 1.00 0.00 ? 35 LYS A HZ1 7 ATOM 9136 H HZ2 . LYS A 1 35 ? 18.257 1.799 -4.645 1.00 0.00 ? 35 LYS A HZ2 7 ATOM 9137 H HZ3 . LYS A 1 35 ? 18.350 3.313 -5.394 1.00 0.00 ? 35 LYS A HZ3 7 ATOM 9138 N N . GLN A 1 36 ? 21.007 3.347 2.524 1.00 0.00 ? 36 GLN A N 7 ATOM 9139 C CA . GLN A 1 36 ? 22.082 4.024 3.240 1.00 0.00 ? 36 GLN A CA 7 ATOM 9140 C C . GLN A 1 36 ? 22.980 3.013 3.944 1.00 0.00 ? 36 GLN A C 7 ATOM 9141 O O . GLN A 1 36 ? 24.164 3.269 4.169 1.00 0.00 ? 36 GLN A O 7 ATOM 9142 C CB . GLN A 1 36 ? 21.508 5.012 4.257 1.00 0.00 ? 36 GLN A CB 7 ATOM 9143 C CG . GLN A 1 36 ? 22.568 5.710 5.092 1.00 0.00 ? 36 GLN A CG 7 ATOM 9144 C CD . GLN A 1 36 ? 23.157 6.920 4.393 1.00 0.00 ? 36 GLN A CD 7 ATOM 9145 O OE1 . GLN A 1 36 ? 22.887 7.165 3.218 1.00 0.00 ? 36 GLN A OE1 7 ATOM 9146 N NE2 . GLN A 1 36 ? 23.967 7.684 5.115 1.00 0.00 ? 36 GLN A NE2 7 ATOM 9147 H H . GLN A 1 36 ? 20.101 3.355 2.902 1.00 0.00 ? 36 GLN A H 7 ATOM 9148 H HA . GLN A 1 36 ? 22.671 4.567 2.515 1.00 0.00 ? 36 GLN A HA 7 ATOM 9149 H HB2 . GLN A 1 36 ? 20.941 5.765 3.730 1.00 0.00 ? 36 GLN A HB2 7 ATOM 9150 H HB3 . GLN A 1 36 ? 20.847 4.479 4.925 1.00 0.00 ? 36 GLN A HB3 7 ATOM 9151 H HG2 . GLN A 1 36 ? 22.122 6.032 6.021 1.00 0.00 ? 36 GLN A HG2 7 ATOM 9152 H HG3 . GLN A 1 36 ? 23.363 5.010 5.299 1.00 0.00 ? 36 GLN A HG3 7 ATOM 9153 H HE21 . GLN A 1 36 ? 24.138 7.428 6.047 1.00 0.00 ? 36 GLN A HE21 7 ATOM 9154 H HE22 . GLN A 1 36 ? 24.362 8.474 4.689 1.00 0.00 ? 36 GLN A HE22 7 ATOM 9155 N N . SER A 1 37 ? 22.410 1.864 4.287 1.00 0.00 ? 37 SER A N 7 ATOM 9156 C CA . SER A 1 37 ? 23.159 0.811 4.963 1.00 0.00 ? 37 SER A CA 7 ATOM 9157 C C . SER A 1 37 ? 24.034 0.049 3.973 1.00 0.00 ? 37 SER A C 7 ATOM 9158 O O . SER A 1 37 ? 25.057 -0.522 4.346 1.00 0.00 ? 37 SER A O 7 ATOM 9159 C CB . SER A 1 37 ? 22.202 -0.155 5.665 1.00 0.00 ? 37 SER A CB 7 ATOM 9160 O OG . SER A 1 37 ? 22.153 0.100 7.058 1.00 0.00 ? 37 SER A OG 7 ATOM 9161 H H . SER A 1 37 ? 21.464 1.718 4.079 1.00 0.00 ? 37 SER A H 7 ATOM 9162 H HA . SER A 1 37 ? 23.792 1.277 5.701 1.00 0.00 ? 37 SER A HA 7 ATOM 9163 H HB2 . SER A 1 37 ? 21.210 -0.037 5.255 1.00 0.00 ? 37 SER A HB2 7 ATOM 9164 H HB3 . SER A 1 37 ? 22.538 -1.169 5.508 1.00 0.00 ? 37 SER A HB3 7 ATOM 9165 H HG . SER A 1 37 ? 21.550 -0.520 7.477 1.00 0.00 ? 37 SER A HG 7 ATOM 9166 N N . GLU A 1 38 ? 23.623 0.048 2.708 1.00 0.00 ? 38 GLU A N 7 ATOM 9167 C CA . GLU A 1 38 ? 24.371 -0.642 1.664 1.00 0.00 ? 38 GLU A CA 7 ATOM 9168 C C . GLU A 1 38 ? 25.640 0.124 1.308 1.00 0.00 ? 38 GLU A C 7 ATOM 9169 O O . GLU A 1 38 ? 26.624 -0.461 0.854 1.00 0.00 ? 38 GLU A O 7 ATOM 9170 C CB . GLU A 1 38 ? 23.502 -0.820 0.417 1.00 0.00 ? 38 GLU A CB 7 ATOM 9171 C CG . GLU A 1 38 ? 23.903 -2.009 -0.440 1.00 0.00 ? 38 GLU A CG 7 ATOM 9172 C CD . GLU A 1 38 ? 24.653 -1.599 -1.692 1.00 0.00 ? 38 GLU A CD 7 ATOM 9173 O OE1 . GLU A 1 38 ? 24.074 -0.863 -2.517 1.00 0.00 ? 38 GLU A OE1 7 ATOM 9174 O OE2 . GLU A 1 38 ? 25.821 -2.016 -1.847 1.00 0.00 ? 38 GLU A OE2 7 ATOM 9175 H H . GLU A 1 38 ? 22.798 0.522 2.471 1.00 0.00 ? 38 GLU A H 7 ATOM 9176 H HA . GLU A 1 38 ? 24.646 -1.615 2.042 1.00 0.00 ? 38 GLU A HA 7 ATOM 9177 H HB2 . GLU A 1 38 ? 22.476 -0.955 0.725 1.00 0.00 ? 38 GLU A HB2 7 ATOM 9178 H HB3 . GLU A 1 38 ? 23.573 0.072 -0.188 1.00 0.00 ? 38 GLU A HB3 7 ATOM 9179 H HG2 . GLU A 1 38 ? 24.537 -2.660 0.144 1.00 0.00 ? 38 GLU A HG2 7 ATOM 9180 H HG3 . GLU A 1 38 ? 23.011 -2.545 -0.731 1.00 0.00 ? 38 GLU A HG3 7 ATOM 9181 N N . ASP A 1 39 ? 25.612 1.437 1.519 1.00 0.00 ? 39 ASP A N 7 ATOM 9182 C CA . ASP A 1 39 ? 26.761 2.283 1.220 1.00 0.00 ? 39 ASP A CA 7 ATOM 9183 C C . ASP A 1 39 ? 27.897 2.025 2.205 1.00 0.00 ? 39 ASP A C 7 ATOM 9184 O O . ASP A 1 39 ? 29.068 2.221 1.883 1.00 0.00 ? 39 ASP A O 7 ATOM 9185 C CB . ASP A 1 39 ? 26.359 3.758 1.261 1.00 0.00 ? 39 ASP A CB 7 ATOM 9186 C CG . ASP A 1 39 ? 26.177 4.347 -0.124 1.00 0.00 ? 39 ASP A CG 7 ATOM 9187 O OD1 . ASP A 1 39 ? 26.800 3.832 -1.074 1.00 0.00 ? 39 ASP A OD1 7 ATOM 9188 O OD2 . ASP A 1 39 ? 25.411 5.324 -0.257 1.00 0.00 ? 39 ASP A OD2 7 ATOM 9189 H H . ASP A 1 39 ? 24.798 1.845 1.883 1.00 0.00 ? 39 ASP A H 7 ATOM 9190 H HA . ASP A 1 39 ? 27.102 2.040 0.225 1.00 0.00 ? 39 ASP A HA 7 ATOM 9191 H HB2 . ASP A 1 39 ? 25.427 3.856 1.799 1.00 0.00 ? 39 ASP A HB2 7 ATOM 9192 H HB3 . ASP A 1 39 ? 27.127 4.320 1.774 1.00 0.00 ? 39 ASP A HB3 7 ATOM 9193 N N . ASP A 1 40 ? 27.541 1.584 3.408 1.00 0.00 ? 40 ASP A N 7 ATOM 9194 C CA . ASP A 1 40 ? 28.530 1.299 4.440 1.00 0.00 ? 40 ASP A CA 7 ATOM 9195 C C . ASP A 1 40 ? 29.353 2.542 4.763 1.00 0.00 ? 40 ASP A C 7 ATOM 9196 O O . ASP A 1 40 ? 29.467 3.454 3.944 1.00 0.00 ? 40 ASP A O 7 ATOM 9197 C CB . ASP A 1 40 ? 29.453 0.164 3.993 1.00 0.00 ? 40 ASP A CB 7 ATOM 9198 C CG . ASP A 1 40 ? 29.019 -1.183 4.537 1.00 0.00 ? 40 ASP A CG 7 ATOM 9199 O OD1 . ASP A 1 40 ? 27.797 -1.430 4.604 1.00 0.00 ? 40 ASP A OD1 7 ATOM 9200 O OD2 . ASP A 1 40 ? 29.901 -1.991 4.895 1.00 0.00 ? 40 ASP A OD2 7 ATOM 9201 H H . ASP A 1 40 ? 26.591 1.446 3.605 1.00 0.00 ? 40 ASP A H 7 ATOM 9202 H HA . ASP A 1 40 ? 28.002 0.992 5.330 1.00 0.00 ? 40 ASP A HA 7 ATOM 9203 H HB2 . ASP A 1 40 ? 29.453 0.112 2.914 1.00 0.00 ? 40 ASP A HB2 7 ATOM 9204 H HB3 . ASP A 1 40 ? 30.456 0.366 4.340 1.00 0.00 ? 40 ASP A HB3 7 ATOM 9205 N N . ASP A 1 41 ? 29.926 2.571 5.962 1.00 0.00 ? 41 ASP A N 7 ATOM 9206 C CA . ASP A 1 41 ? 30.740 3.702 6.393 1.00 0.00 ? 41 ASP A CA 7 ATOM 9207 C C . ASP A 1 41 ? 30.000 5.018 6.179 1.00 0.00 ? 41 ASP A C 7 ATOM 9208 O O . ASP A 1 41 ? 28.779 4.974 5.921 1.00 0.00 ? 41 ASP A O 7 ATOM 9209 C CB . ASP A 1 41 ? 32.068 3.720 5.635 1.00 0.00 ? 41 ASP A CB 7 ATOM 9210 C CG . ASP A 1 41 ? 32.707 2.348 5.552 1.00 0.00 ? 41 ASP A CG 7 ATOM 9211 O OD1 . ASP A 1 41 ? 33.122 1.822 6.607 1.00 0.00 ? 41 ASP A OD1 7 ATOM 9212 O OD2 . ASP A 1 41 ? 32.791 1.798 4.435 1.00 0.00 ? 41 ASP A OD2 7 ATOM 9213 O OXT . ASP A 1 41 ? 30.647 6.082 6.270 1.00 0.00 ? 41 ASP A OXT 7 ATOM 9214 H H . ASP A 1 41 ? 29.800 1.814 6.571 1.00 0.00 ? 41 ASP A H 7 ATOM 9215 H HA . ASP A 1 41 ? 30.940 3.583 7.448 1.00 0.00 ? 41 ASP A HA 7 ATOM 9216 H HB2 . ASP A 1 41 ? 31.897 4.077 4.631 1.00 0.00 ? 41 ASP A HB2 7 ATOM 9217 H HB3 . ASP A 1 41 ? 32.754 4.387 6.137 1.00 0.00 ? 41 ASP A HB3 7 ATOM 9218 N N . ALA B 1 1 ? 25.242 -16.293 -0.747 1.00 0.00 ? 1 ALA B N 7 ATOM 9219 C CA . ALA B 1 1 ? 26.573 -16.395 -1.398 1.00 0.00 ? 1 ALA B CA 7 ATOM 9220 C C . ALA B 1 1 ? 27.316 -15.064 -1.339 1.00 0.00 ? 1 ALA B C 7 ATOM 9221 O O . ALA B 1 1 ? 28.266 -14.904 -0.573 1.00 0.00 ? 1 ALA B O 7 ATOM 9222 C CB . ALA B 1 1 ? 26.421 -16.850 -2.841 1.00 0.00 ? 1 ALA B CB 7 ATOM 9223 H H1 . ALA B 1 1 ? 25.287 -15.519 -0.054 1.00 0.00 ? 1 ALA B H1 7 ATOM 9224 H H2 . ALA B 1 1 ? 24.541 -16.093 -1.489 1.00 0.00 ? 1 ALA B H2 7 ATOM 9225 H H3 . ALA B 1 1 ? 25.046 -17.202 -0.280 1.00 0.00 ? 1 ALA B H3 7 ATOM 9226 H HA . ALA B 1 1 ? 27.154 -17.140 -0.872 1.00 0.00 ? 1 ALA B HA 7 ATOM 9227 H HB1 . ALA B 1 1 ? 25.391 -17.116 -3.028 1.00 0.00 ? 1 ALA B HB1 7 ATOM 9228 H HB2 . ALA B 1 1 ? 26.711 -16.048 -3.505 1.00 0.00 ? 1 ALA B HB2 7 ATOM 9229 H HB3 . ALA B 1 1 ? 27.053 -17.708 -3.018 1.00 0.00 ? 1 ALA B HB3 7 ATOM 9230 N N . LEU B 1 2 ? 26.875 -14.110 -2.154 1.00 0.00 ? 2 LEU B N 7 ATOM 9231 C CA . LEU B 1 2 ? 27.496 -12.792 -2.194 1.00 0.00 ? 2 LEU B CA 7 ATOM 9232 C C . LEU B 1 2 ? 26.598 -11.747 -1.540 1.00 0.00 ? 2 LEU B C 7 ATOM 9233 O O . LEU B 1 2 ? 25.468 -12.041 -1.151 1.00 0.00 ? 2 LEU B O 7 ATOM 9234 C CB . LEU B 1 2 ? 27.797 -12.391 -3.639 1.00 0.00 ? 2 LEU B CB 7 ATOM 9235 C CG . LEU B 1 2 ? 28.743 -13.331 -4.389 1.00 0.00 ? 2 LEU B CG 7 ATOM 9236 C CD1 . LEU B 1 2 ? 28.230 -13.591 -5.798 1.00 0.00 ? 2 LEU B CD1 7 ATOM 9237 C CD2 . LEU B 1 2 ? 30.148 -12.750 -4.431 1.00 0.00 ? 2 LEU B CD2 7 ATOM 9238 H H . LEU B 1 2 ? 26.113 -14.297 -2.741 1.00 0.00 ? 2 LEU B H 7 ATOM 9239 H HA . LEU B 1 2 ? 28.424 -12.846 -1.645 1.00 0.00 ? 2 LEU B HA 7 ATOM 9240 H HB2 . LEU B 1 2 ? 26.862 -12.346 -4.180 1.00 0.00 ? 2 LEU B HB2 7 ATOM 9241 H HB3 . LEU B 1 2 ? 28.237 -11.405 -3.633 1.00 0.00 ? 2 LEU B HB3 7 ATOM 9242 H HG . LEU B 1 2 ? 28.786 -14.277 -3.870 1.00 0.00 ? 2 LEU B HG 7 ATOM 9243 H HD11 . LEU B 1 2 ? 27.211 -13.947 -5.749 1.00 0.00 ? 2 LEU B HD11 7 ATOM 9244 H HD12 . LEU B 1 2 ? 28.265 -12.675 -6.369 1.00 0.00 ? 2 LEU B HD12 7 ATOM 9245 H HD13 . LEU B 1 2 ? 28.849 -14.337 -6.274 1.00 0.00 ? 2 LEU B HD13 7 ATOM 9246 H HD21 . LEU B 1 2 ? 30.106 -11.731 -4.789 1.00 0.00 ? 2 LEU B HD21 7 ATOM 9247 H HD22 . LEU B 1 2 ? 30.574 -12.766 -3.438 1.00 0.00 ? 2 LEU B HD22 7 ATOM 9248 H HD23 . LEU B 1 2 ? 30.762 -13.340 -5.096 1.00 0.00 ? 2 LEU B HD23 7 ATOM 9249 N N . LYS B 1 3 ? 27.109 -10.525 -1.423 1.00 0.00 ? 3 LYS B N 7 ATOM 9250 C CA . LYS B 1 3 ? 26.351 -9.437 -0.816 1.00 0.00 ? 3 LYS B CA 7 ATOM 9251 C C . LYS B 1 3 ? 25.670 -8.585 -1.883 1.00 0.00 ? 3 LYS B C 7 ATOM 9252 O O . LYS B 1 3 ? 25.374 -7.411 -1.658 1.00 0.00 ? 3 LYS B O 7 ATOM 9253 C CB . LYS B 1 3 ? 27.271 -8.563 0.039 1.00 0.00 ? 3 LYS B CB 7 ATOM 9254 C CG . LYS B 1 3 ? 27.278 -8.946 1.510 1.00 0.00 ? 3 LYS B CG 7 ATOM 9255 C CD . LYS B 1 3 ? 27.643 -10.410 1.702 1.00 0.00 ? 3 LYS B CD 7 ATOM 9256 C CE . LYS B 1 3 ? 27.060 -10.964 2.993 1.00 0.00 ? 3 LYS B CE 7 ATOM 9257 N NZ . LYS B 1 3 ? 25.984 -11.960 2.734 1.00 0.00 ? 3 LYS B NZ 7 ATOM 9258 H H . LYS B 1 3 ? 28.016 -10.352 -1.752 1.00 0.00 ? 3 LYS B H 7 ATOM 9259 H HA . LYS B 1 3 ? 25.594 -9.873 -0.184 1.00 0.00 ? 3 LYS B HA 7 ATOM 9260 H HB2 . LYS B 1 3 ? 28.279 -8.646 -0.336 1.00 0.00 ? 3 LYS B HB2 7 ATOM 9261 H HB3 . LYS B 1 3 ? 26.949 -7.535 -0.041 1.00 0.00 ? 3 LYS B HB3 7 ATOM 9262 H HG2 . LYS B 1 3 ? 28.002 -8.336 2.028 1.00 0.00 ? 3 LYS B HG2 7 ATOM 9263 H HG3 . LYS B 1 3 ? 26.295 -8.772 1.922 1.00 0.00 ? 3 LYS B HG3 7 ATOM 9264 H HD2 . LYS B 1 3 ? 27.255 -10.980 0.872 1.00 0.00 ? 3 LYS B HD2 7 ATOM 9265 H HD3 . LYS B 1 3 ? 28.718 -10.502 1.735 1.00 0.00 ? 3 LYS B HD3 7 ATOM 9266 H HE2 . LYS B 1 3 ? 27.850 -11.439 3.555 1.00 0.00 ? 3 LYS B HE2 7 ATOM 9267 H HE3 . LYS B 1 3 ? 26.651 -10.146 3.568 1.00 0.00 ? 3 LYS B HE3 7 ATOM 9268 H HZ1 . LYS B 1 3 ? 25.831 -12.063 1.711 1.00 0.00 ? 3 LYS B HZ1 7 ATOM 9269 H HZ2 . LYS B 1 3 ? 26.250 -12.884 3.129 1.00 0.00 ? 3 LYS B HZ2 7 ATOM 9270 H HZ3 . LYS B 1 3 ? 25.095 -11.649 3.178 1.00 0.00 ? 3 LYS B HZ3 7 ATOM 9271 N N . LYS B 1 4 ? 25.424 -9.183 -3.045 1.00 0.00 ? 4 LYS B N 7 ATOM 9272 C CA . LYS B 1 4 ? 24.776 -8.477 -4.144 1.00 0.00 ? 4 LYS B CA 7 ATOM 9273 C C . LYS B 1 4 ? 23.258 -8.529 -4.002 1.00 0.00 ? 4 LYS B C 7 ATOM 9274 O O . LYS B 1 4 ? 22.553 -7.614 -4.427 1.00 0.00 ? 4 LYS B O 7 ATOM 9275 C CB . LYS B 1 4 ? 25.196 -9.084 -5.485 1.00 0.00 ? 4 LYS B CB 7 ATOM 9276 C CG . LYS B 1 4 ? 24.762 -10.530 -5.662 1.00 0.00 ? 4 LYS B CG 7 ATOM 9277 C CD . LYS B 1 4 ? 23.384 -10.625 -6.293 1.00 0.00 ? 4 LYS B CD 7 ATOM 9278 C CE . LYS B 1 4 ? 22.584 -11.781 -5.714 1.00 0.00 ? 4 LYS B CE 7 ATOM 9279 N NZ . LYS B 1 4 ? 21.400 -12.114 -6.554 1.00 0.00 ? 4 LYS B NZ 7 ATOM 9280 H H . LYS B 1 4 ? 25.682 -10.120 -3.164 1.00 0.00 ? 4 LYS B H 7 ATOM 9281 H HA . LYS B 1 4 ? 25.094 -7.446 -4.109 1.00 0.00 ? 4 LYS B HA 7 ATOM 9282 H HB2 . LYS B 1 4 ? 24.760 -8.500 -6.283 1.00 0.00 ? 4 LYS B HB2 7 ATOM 9283 H HB3 . LYS B 1 4 ? 26.271 -9.040 -5.566 1.00 0.00 ? 4 LYS B HB3 7 ATOM 9284 H HG2 . LYS B 1 4 ? 25.474 -11.034 -6.297 1.00 0.00 ? 4 LYS B HG2 7 ATOM 9285 H HG3 . LYS B 1 4 ? 24.739 -11.009 -4.693 1.00 0.00 ? 4 LYS B HG3 7 ATOM 9286 H HD2 . LYS B 1 4 ? 22.850 -9.705 -6.111 1.00 0.00 ? 4 LYS B HD2 7 ATOM 9287 H HD3 . LYS B 1 4 ? 23.496 -10.774 -7.358 1.00 0.00 ? 4 LYS B HD3 7 ATOM 9288 H HE2 . LYS B 1 4 ? 23.224 -12.649 -5.651 1.00 0.00 ? 4 LYS B HE2 7 ATOM 9289 H HE3 . LYS B 1 4 ? 22.248 -11.509 -4.725 1.00 0.00 ? 4 LYS B HE3 7 ATOM 9290 H HZ1 . LYS B 1 4 ? 20.991 -11.245 -6.954 1.00 0.00 ? 4 LYS B HZ1 7 ATOM 9291 H HZ2 . LYS B 1 4 ? 21.679 -12.743 -7.333 1.00 0.00 ? 4 LYS B HZ2 7 ATOM 9292 H HZ3 . LYS B 1 4 ? 20.677 -12.593 -5.979 1.00 0.00 ? 4 LYS B HZ3 7 ATOM 9293 N N . HIS B 1 5 ? 22.762 -9.605 -3.400 1.00 0.00 ? 5 HIS B N 7 ATOM 9294 C CA . HIS B 1 5 ? 21.328 -9.776 -3.201 1.00 0.00 ? 5 HIS B CA 7 ATOM 9295 C C . HIS B 1 5 ? 20.735 -8.586 -2.454 1.00 0.00 ? 5 HIS B C 7 ATOM 9296 O O . HIS B 1 5 ? 19.540 -8.309 -2.558 1.00 0.00 ? 5 HIS B O 7 ATOM 9297 C CB . HIS B 1 5 ? 21.049 -11.068 -2.430 1.00 0.00 ? 5 HIS B CB 7 ATOM 9298 C CG . HIS B 1 5 ? 21.843 -11.194 -1.167 1.00 0.00 ? 5 HIS B CG 7 ATOM 9299 N ND1 . HIS B 1 5 ? 22.643 -12.282 -0.885 1.00 0.00 ? 5 HIS B ND1 7 ATOM 9300 C CD2 . HIS B 1 5 ? 21.960 -10.360 -0.107 1.00 0.00 ? 5 HIS B CD2 7 ATOM 9301 C CE1 . HIS B 1 5 ? 23.215 -12.112 0.295 1.00 0.00 ? 5 HIS B CE1 7 ATOM 9302 N NE2 . HIS B 1 5 ? 22.818 -10.954 0.786 1.00 0.00 ? 5 HIS B NE2 7 ATOM 9303 H H . HIS B 1 5 ? 23.375 -10.300 -3.083 1.00 0.00 ? 5 HIS B H 7 ATOM 9304 H HA . HIS B 1 5 ? 20.865 -9.842 -4.174 1.00 0.00 ? 5 HIS B HA 7 ATOM 9305 H HB2 . HIS B 1 5 ? 20.003 -11.104 -2.169 1.00 0.00 ? 5 HIS B HB2 7 ATOM 9306 H HB3 . HIS B 1 5 ? 21.288 -11.913 -3.059 1.00 0.00 ? 5 HIS B HB3 7 ATOM 9307 H HD1 . HIS B 1 5 ? 22.771 -13.063 -1.462 1.00 0.00 ? 5 HIS B HD1 7 ATOM 9308 H HD2 . HIS B 1 5 ? 21.468 -9.403 0.015 1.00 0.00 ? 5 HIS B HD2 7 ATOM 9309 H HE1 . HIS B 1 5 ? 23.893 -12.803 0.773 1.00 0.00 ? 5 HIS B HE1 7 ATOM 9310 H HE2 . HIS B 1 5 ? 23.092 -10.580 1.649 1.00 0.00 ? 5 HIS B HE2 7 ATOM 9311 N N . HIS B 1 6 ? 21.575 -7.885 -1.698 1.00 0.00 ? 6 HIS B N 7 ATOM 9312 C CA . HIS B 1 6 ? 21.130 -6.726 -0.935 1.00 0.00 ? 6 HIS B CA 7 ATOM 9313 C C . HIS B 1 6 ? 20.679 -5.605 -1.863 1.00 0.00 ? 6 HIS B C 7 ATOM 9314 O O . HIS B 1 6 ? 19.539 -5.149 -1.790 1.00 0.00 ? 6 HIS B O 7 ATOM 9315 C CB . HIS B 1 6 ? 22.250 -6.228 -0.020 1.00 0.00 ? 6 HIS B CB 7 ATOM 9316 C CG . HIS B 1 6 ? 21.872 -6.202 1.428 1.00 0.00 ? 6 HIS B CG 7 ATOM 9317 N ND1 . HIS B 1 6 ? 21.069 -7.158 2.015 1.00 0.00 ? 6 HIS B ND1 7 ATOM 9318 C CD2 . HIS B 1 6 ? 22.191 -5.326 2.412 1.00 0.00 ? 6 HIS B CD2 7 ATOM 9319 C CE1 . HIS B 1 6 ? 20.911 -6.871 3.295 1.00 0.00 ? 6 HIS B CE1 7 ATOM 9320 N NE2 . HIS B 1 6 ? 21.582 -5.767 3.560 1.00 0.00 ? 6 HIS B NE2 7 ATOM 9321 H H . HIS B 1 6 ? 22.517 -8.153 -1.654 1.00 0.00 ? 6 HIS B H 7 ATOM 9322 H HA . HIS B 1 6 ? 20.290 -7.032 -0.328 1.00 0.00 ? 6 HIS B HA 7 ATOM 9323 H HB2 . HIS B 1 6 ? 23.107 -6.877 -0.127 1.00 0.00 ? 6 HIS B HB2 7 ATOM 9324 H HB3 . HIS B 1 6 ? 22.524 -5.225 -0.312 1.00 0.00 ? 6 HIS B HB3 7 ATOM 9325 H HD1 . HIS B 1 6 ? 20.674 -7.930 1.561 1.00 0.00 ? 6 HIS B HD1 7 ATOM 9326 H HD2 . HIS B 1 6 ? 22.811 -4.446 2.310 1.00 0.00 ? 6 HIS B HD2 7 ATOM 9327 H HE1 . HIS B 1 6 ? 20.332 -7.445 4.005 1.00 0.00 ? 6 HIS B HE1 7 ATOM 9328 H HE2 . HIS B 1 6 ? 21.634 -5.332 4.438 1.00 0.00 ? 6 HIS B HE2 7 ATOM 9329 N N . GLU B 1 7 ? 21.578 -5.166 -2.738 1.00 0.00 ? 7 GLU B N 7 ATOM 9330 C CA . GLU B 1 7 ? 21.266 -4.101 -3.682 1.00 0.00 ? 7 GLU B CA 7 ATOM 9331 C C . GLU B 1 7 ? 19.991 -4.421 -4.453 1.00 0.00 ? 7 GLU B C 7 ATOM 9332 O O . GLU B 1 7 ? 19.295 -3.521 -4.923 1.00 0.00 ? 7 GLU B O 7 ATOM 9333 C CB . GLU B 1 7 ? 22.428 -3.896 -4.656 1.00 0.00 ? 7 GLU B CB 7 ATOM 9334 C CG . GLU B 1 7 ? 23.794 -3.944 -3.992 1.00 0.00 ? 7 GLU B CG 7 ATOM 9335 C CD . GLU B 1 7 ? 24.879 -3.316 -4.845 1.00 0.00 ? 7 GLU B CD 7 ATOM 9336 O OE1 . GLU B 1 7 ? 24.743 -3.333 -6.088 1.00 0.00 ? 7 GLU B OE1 7 ATOM 9337 O OE2 . GLU B 1 7 ? 25.865 -2.807 -4.272 1.00 0.00 ? 7 GLU B OE2 7 ATOM 9338 H H . GLU B 1 7 ? 22.470 -5.570 -2.750 1.00 0.00 ? 7 GLU B H 7 ATOM 9339 H HA . GLU B 1 7 ? 21.114 -3.193 -3.119 1.00 0.00 ? 7 GLU B HA 7 ATOM 9340 H HB2 . GLU B 1 7 ? 22.391 -4.667 -5.411 1.00 0.00 ? 7 GLU B HB2 7 ATOM 9341 H HB3 . GLU B 1 7 ? 22.317 -2.933 -5.134 1.00 0.00 ? 7 GLU B HB3 7 ATOM 9342 H HG2 . GLU B 1 7 ? 23.744 -3.412 -3.054 1.00 0.00 ? 7 GLU B HG2 7 ATOM 9343 H HG3 . GLU B 1 7 ? 24.054 -4.975 -3.807 1.00 0.00 ? 7 GLU B HG3 7 ATOM 9344 N N . ASN B 1 8 ? 19.684 -5.708 -4.572 1.00 0.00 ? 8 ASN B N 7 ATOM 9345 C CA . ASN B 1 8 ? 18.487 -6.144 -5.279 1.00 0.00 ? 8 ASN B CA 7 ATOM 9346 C C . ASN B 1 8 ? 17.242 -5.805 -4.470 1.00 0.00 ? 8 ASN B C 7 ATOM 9347 O O . ASN B 1 8 ? 16.366 -5.078 -4.937 1.00 0.00 ? 8 ASN B O 7 ATOM 9348 C CB . ASN B 1 8 ? 18.543 -7.649 -5.551 1.00 0.00 ? 8 ASN B CB 7 ATOM 9349 C CG . ASN B 1 8 ? 19.466 -7.993 -6.704 1.00 0.00 ? 8 ASN B CG 7 ATOM 9350 O OD1 . ASN B 1 8 ? 20.528 -7.393 -6.864 1.00 0.00 ? 8 ASN B OD1 7 ATOM 9351 N ND2 . ASN B 1 8 ? 19.062 -8.964 -7.514 1.00 0.00 ? 8 ASN B ND2 7 ATOM 9352 H H . ASN B 1 8 ? 20.274 -6.379 -4.170 1.00 0.00 ? 8 ASN B H 7 ATOM 9353 H HA . ASN B 1 8 ? 18.444 -5.614 -6.218 1.00 0.00 ? 8 ASN B HA 7 ATOM 9354 H HB2 . ASN B 1 8 ? 18.898 -8.155 -4.667 1.00 0.00 ? 8 ASN B HB2 7 ATOM 9355 H HB3 . ASN B 1 8 ? 17.551 -8.002 -5.789 1.00 0.00 ? 8 ASN B HB3 7 ATOM 9356 H HD21 . ASN B 1 8 ? 18.203 -9.398 -7.326 1.00 0.00 ? 8 ASN B HD21 7 ATOM 9357 H HD22 . ASN B 1 8 ? 19.638 -9.208 -8.268 1.00 0.00 ? 8 ASN B HD22 7 ATOM 9358 N N . GLU B 1 9 ? 17.178 -6.322 -3.248 1.00 0.00 ? 9 GLU B N 7 ATOM 9359 C CA . GLU B 1 9 ? 16.048 -6.053 -2.371 1.00 0.00 ? 9 GLU B CA 7 ATOM 9360 C C . GLU B 1 9 ? 15.877 -4.549 -2.172 1.00 0.00 ? 9 GLU B C 7 ATOM 9361 O O . GLU B 1 9 ? 14.798 -4.081 -1.815 1.00 0.00 ? 9 GLU B O 7 ATOM 9362 C CB . GLU B 1 9 ? 16.243 -6.742 -1.020 1.00 0.00 ? 9 GLU B CB 7 ATOM 9363 C CG . GLU B 1 9 ? 15.010 -7.482 -0.530 1.00 0.00 ? 9 GLU B CG 7 ATOM 9364 C CD . GLU B 1 9 ? 14.816 -8.816 -1.226 1.00 0.00 ? 9 GLU B CD 7 ATOM 9365 O OE1 . GLU B 1 9 ? 15.827 -9.426 -1.630 1.00 0.00 ? 9 GLU B OE1 7 ATOM 9366 O OE2 . GLU B 1 9 ? 13.652 -9.249 -1.365 1.00 0.00 ? 9 GLU B OE2 7 ATOM 9367 H H . GLU B 1 9 ? 17.914 -6.885 -2.924 1.00 0.00 ? 9 GLU B H 7 ATOM 9368 H HA . GLU B 1 9 ? 15.160 -6.446 -2.843 1.00 0.00 ? 9 GLU B HA 7 ATOM 9369 H HB2 . GLU B 1 9 ? 17.053 -7.452 -1.105 1.00 0.00 ? 9 GLU B HB2 7 ATOM 9370 H HB3 . GLU B 1 9 ? 16.506 -5.997 -0.284 1.00 0.00 ? 9 GLU B HB3 7 ATOM 9371 H HG2 . GLU B 1 9 ? 15.109 -7.658 0.531 1.00 0.00 ? 9 GLU B HG2 7 ATOM 9372 H HG3 . GLU B 1 9 ? 14.140 -6.868 -0.712 1.00 0.00 ? 9 GLU B HG3 7 ATOM 9373 N N . ILE B 1 10 ? 16.952 -3.801 -2.408 1.00 0.00 ? 10 ILE B N 7 ATOM 9374 C CA . ILE B 1 10 ? 16.931 -2.354 -2.260 1.00 0.00 ? 10 ILE B CA 7 ATOM 9375 C C . ILE B 1 10 ? 16.085 -1.713 -3.367 1.00 0.00 ? 10 ILE B C 7 ATOM 9376 O O . ILE B 1 10 ? 15.155 -0.950 -3.093 1.00 0.00 ? 10 ILE B O 7 ATOM 9377 C CB . ILE B 1 10 ? 18.394 -1.793 -2.233 1.00 0.00 ? 10 ILE B CB 7 ATOM 9378 C CG1 . ILE B 1 10 ? 18.639 -1.025 -0.935 1.00 0.00 ? 10 ILE B CG1 7 ATOM 9379 C CG2 . ILE B 1 10 ? 18.738 -0.916 -3.439 1.00 0.00 ? 10 ILE B CG2 7 ATOM 9380 C CD1 . ILE B 1 10 ? 19.914 -1.437 -0.231 1.00 0.00 ? 10 ILE B CD1 7 ATOM 9381 H H . ILE B 1 10 ? 17.784 -4.231 -2.692 1.00 0.00 ? 10 ILE B H 7 ATOM 9382 H HA . ILE B 1 10 ? 16.471 -2.133 -1.307 1.00 0.00 ? 10 ILE B HA 7 ATOM 9383 H HB . ILE B 1 10 ? 19.062 -2.641 -2.253 1.00 0.00 ? 10 ILE B HB 7 ATOM 9384 H HG12 . ILE B 1 10 ? 18.706 0.030 -1.154 1.00 0.00 ? 10 ILE B HG12 7 ATOM 9385 H HG13 . ILE B 1 10 ? 17.815 -1.197 -0.259 1.00 0.00 ? 10 ILE B HG13 7 ATOM 9386 H HG21 . ILE B 1 10 ? 18.039 -0.095 -3.500 1.00 0.00 ? 10 ILE B HG21 7 ATOM 9387 H HG22 . ILE B 1 10 ? 19.740 -0.529 -3.328 1.00 0.00 ? 10 ILE B HG22 7 ATOM 9388 H HG23 . ILE B 1 10 ? 18.680 -1.505 -4.342 1.00 0.00 ? 10 ILE B HG23 7 ATOM 9389 H HD11 . ILE B 1 10 ? 20.335 -2.301 -0.726 1.00 0.00 ? 10 ILE B HD11 7 ATOM 9390 H HD12 . ILE B 1 10 ? 20.622 -0.623 -0.264 1.00 0.00 ? 10 ILE B HD12 7 ATOM 9391 H HD13 . ILE B 1 10 ? 19.695 -1.683 0.797 1.00 0.00 ? 10 ILE B HD13 7 ATOM 9392 N N . SER B 1 11 ? 16.415 -2.034 -4.614 1.00 0.00 ? 11 SER B N 7 ATOM 9393 C CA . SER B 1 11 ? 15.691 -1.496 -5.758 1.00 0.00 ? 11 SER B CA 7 ATOM 9394 C C . SER B 1 11 ? 14.248 -1.986 -5.764 1.00 0.00 ? 11 SER B C 7 ATOM 9395 O O . SER B 1 11 ? 13.361 -1.334 -6.318 1.00 0.00 ? 11 SER B O 7 ATOM 9396 C CB . SER B 1 11 ? 16.382 -1.897 -7.062 1.00 0.00 ? 11 SER B CB 7 ATOM 9397 O OG . SER B 1 11 ? 16.721 -0.755 -7.832 1.00 0.00 ? 11 SER B OG 7 ATOM 9398 H H . SER B 1 11 ? 17.164 -2.650 -4.768 1.00 0.00 ? 11 SER B H 7 ATOM 9399 H HA . SER B 1 11 ? 15.693 -0.419 -5.676 1.00 0.00 ? 11 SER B HA 7 ATOM 9400 H HB2 . SER B 1 11 ? 17.287 -2.441 -6.835 1.00 0.00 ? 11 SER B HB2 7 ATOM 9401 H HB3 . SER B 1 11 ? 15.720 -2.523 -7.641 1.00 0.00 ? 11 SER B HB3 7 ATOM 9402 H HG . SER B 1 11 ? 17.611 -0.473 -7.611 1.00 0.00 ? 11 SER B HG 7 ATOM 9403 N N . HIS B 1 12 ? 14.016 -3.137 -5.140 1.00 0.00 ? 12 HIS B N 7 ATOM 9404 C CA . HIS B 1 12 ? 12.681 -3.709 -5.073 1.00 0.00 ? 12 HIS B CA 7 ATOM 9405 C C . HIS B 1 12 ? 11.832 -2.945 -4.054 1.00 0.00 ? 12 HIS B C 7 ATOM 9406 O O . HIS B 1 12 ? 10.645 -2.709 -4.279 1.00 0.00 ? 12 HIS B O 7 ATOM 9407 C CB . HIS B 1 12 ? 12.781 -5.219 -4.756 1.00 0.00 ? 12 HIS B CB 7 ATOM 9408 C CG . HIS B 1 12 ? 11.793 -5.742 -3.751 1.00 0.00 ? 12 HIS B CG 7 ATOM 9409 N ND1 . HIS B 1 12 ? 10.543 -6.213 -4.092 1.00 0.00 ? 12 HIS B ND1 7 ATOM 9410 C CD2 . HIS B 1 12 ? 11.888 -5.865 -2.410 1.00 0.00 ? 12 HIS B CD2 7 ATOM 9411 C CE1 . HIS B 1 12 ? 9.909 -6.602 -3.000 1.00 0.00 ? 12 HIS B CE1 7 ATOM 9412 N NE2 . HIS B 1 12 ? 10.705 -6.401 -1.965 1.00 0.00 ? 12 HIS B NE2 7 ATOM 9413 H H . HIS B 1 12 ? 14.760 -3.610 -4.712 1.00 0.00 ? 12 HIS B H 7 ATOM 9414 H HA . HIS B 1 12 ? 12.230 -3.588 -6.047 1.00 0.00 ? 12 HIS B HA 7 ATOM 9415 H HB2 . HIS B 1 12 ? 12.635 -5.774 -5.669 1.00 0.00 ? 12 HIS B HB2 7 ATOM 9416 H HB3 . HIS B 1 12 ? 13.773 -5.426 -4.379 1.00 0.00 ? 12 HIS B HB3 7 ATOM 9417 H HD1 . HIS B 1 12 ? 10.174 -6.255 -4.999 1.00 0.00 ? 12 HIS B HD1 7 ATOM 9418 H HD2 . HIS B 1 12 ? 12.739 -5.590 -1.804 1.00 0.00 ? 12 HIS B HD2 7 ATOM 9419 H HE1 . HIS B 1 12 ? 8.913 -7.015 -2.959 1.00 0.00 ? 12 HIS B HE1 7 ATOM 9420 H HE2 . HIS B 1 12 ? 10.485 -6.604 -1.032 1.00 0.00 ? 12 HIS B HE2 7 ATOM 9421 N N . HIS B 1 13 ? 12.446 -2.545 -2.942 1.00 0.00 ? 13 HIS B N 7 ATOM 9422 C CA . HIS B 1 13 ? 11.728 -1.794 -1.921 1.00 0.00 ? 13 HIS B CA 7 ATOM 9423 C C . HIS B 1 13 ? 11.310 -0.441 -2.473 1.00 0.00 ? 13 HIS B C 7 ATOM 9424 O O . HIS B 1 13 ? 10.269 0.096 -2.103 1.00 0.00 ? 13 HIS B O 7 ATOM 9425 C CB . HIS B 1 13 ? 12.584 -1.588 -0.672 1.00 0.00 ? 13 HIS B CB 7 ATOM 9426 C CG . HIS B 1 13 ? 13.128 -2.846 -0.078 1.00 0.00 ? 13 HIS B CG 7 ATOM 9427 N ND1 . HIS B 1 13 ? 12.469 -4.057 -0.127 1.00 0.00 ? 13 HIS B ND1 7 ATOM 9428 C CD2 . HIS B 1 13 ? 14.274 -3.070 0.601 1.00 0.00 ? 13 HIS B CD2 7 ATOM 9429 C CE1 . HIS B 1 13 ? 13.189 -4.971 0.500 1.00 0.00 ? 13 HIS B CE1 7 ATOM 9430 N NE2 . HIS B 1 13 ? 14.289 -4.397 0.948 1.00 0.00 ? 13 HIS B NE2 7 ATOM 9431 H H . HIS B 1 13 ? 13.396 -2.746 -2.816 1.00 0.00 ? 13 HIS B H 7 ATOM 9432 H HA . HIS B 1 13 ? 10.843 -2.353 -1.656 1.00 0.00 ? 13 HIS B HA 7 ATOM 9433 H HB2 . HIS B 1 13 ? 13.421 -0.953 -0.919 1.00 0.00 ? 13 HIS B HB2 7 ATOM 9434 H HB3 . HIS B 1 13 ? 11.984 -1.102 0.083 1.00 0.00 ? 13 HIS B HB3 7 ATOM 9435 H HD1 . HIS B 1 13 ? 11.603 -4.221 -0.556 1.00 0.00 ? 13 HIS B HD1 7 ATOM 9436 H HD2 . HIS B 1 13 ? 15.034 -2.336 0.827 1.00 0.00 ? 13 HIS B HD2 7 ATOM 9437 H HE1 . HIS B 1 13 ? 12.922 -6.010 0.625 1.00 0.00 ? 13 HIS B HE1 7 ATOM 9438 H HE2 . HIS B 1 13 ? 15.001 -4.850 1.449 1.00 0.00 ? 13 HIS B HE2 7 ATOM 9439 N N . ALA B 1 14 ? 12.133 0.104 -3.367 1.00 0.00 ? 14 ALA B N 7 ATOM 9440 C CA . ALA B 1 14 ? 11.846 1.395 -3.979 1.00 0.00 ? 14 ALA B CA 7 ATOM 9441 C C . ALA B 1 14 ? 10.587 1.307 -4.828 1.00 0.00 ? 14 ALA B C 7 ATOM 9442 O O . ALA B 1 14 ? 9.619 2.032 -4.603 1.00 0.00 ? 14 ALA B O 7 ATOM 9443 C CB . ALA B 1 14 ? 13.027 1.858 -4.821 1.00 0.00 ? 14 ALA B CB 7 ATOM 9444 H H . ALA B 1 14 ? 12.950 -0.376 -3.621 1.00 0.00 ? 14 ALA B H 7 ATOM 9445 H HA . ALA B 1 14 ? 11.688 2.115 -3.189 1.00 0.00 ? 14 ALA B HA 7 ATOM 9446 H HB1 . ALA B 1 14 ? 13.914 1.318 -4.524 1.00 0.00 ? 14 ALA B HB1 7 ATOM 9447 H HB2 . ALA B 1 14 ? 12.822 1.668 -5.864 1.00 0.00 ? 14 ALA B HB2 7 ATOM 9448 H HB3 . ALA B 1 14 ? 13.182 2.916 -4.672 1.00 0.00 ? 14 ALA B HB3 7 ATOM 9449 N N . LYS B 1 15 ? 10.598 0.394 -5.793 1.00 0.00 ? 15 LYS B N 7 ATOM 9450 C CA . LYS B 1 15 ? 9.445 0.194 -6.657 1.00 0.00 ? 15 LYS B CA 7 ATOM 9451 C C . LYS B 1 15 ? 8.239 -0.258 -5.838 1.00 0.00 ? 15 LYS B C 7 ATOM 9452 O O . LYS B 1 15 ? 7.100 -0.174 -6.295 1.00 0.00 ? 15 LYS B O 7 ATOM 9453 C CB . LYS B 1 15 ? 9.763 -0.842 -7.738 1.00 0.00 ? 15 LYS B CB 7 ATOM 9454 C CG . LYS B 1 15 ? 10.317 -0.236 -9.017 1.00 0.00 ? 15 LYS B CG 7 ATOM 9455 C CD . LYS B 1 15 ? 9.413 0.863 -9.551 1.00 0.00 ? 15 LYS B CD 7 ATOM 9456 C CE . LYS B 1 15 ? 9.407 0.891 -11.071 1.00 0.00 ? 15 LYS B CE 7 ATOM 9457 N NZ . LYS B 1 15 ? 8.362 -0.004 -11.639 1.00 0.00 ? 15 LYS B NZ 7 ATOM 9458 H H . LYS B 1 15 ? 11.391 -0.167 -5.913 1.00 0.00 ? 15 LYS B H 7 ATOM 9459 H HA . LYS B 1 15 ? 9.215 1.138 -7.129 1.00 0.00 ? 15 LYS B HA 7 ATOM 9460 H HB2 . LYS B 1 15 ? 10.490 -1.538 -7.350 1.00 0.00 ? 15 LYS B HB2 7 ATOM 9461 H HB3 . LYS B 1 15 ? 8.857 -1.378 -7.982 1.00 0.00 ? 15 LYS B HB3 7 ATOM 9462 H HG2 . LYS B 1 15 ? 11.292 0.181 -8.814 1.00 0.00 ? 15 LYS B HG2 7 ATOM 9463 H HG3 . LYS B 1 15 ? 10.405 -1.013 -9.763 1.00 0.00 ? 15 LYS B HG3 7 ATOM 9464 H HD2 . LYS B 1 15 ? 8.407 0.689 -9.201 1.00 0.00 ? 15 LYS B HD2 7 ATOM 9465 H HD3 . LYS B 1 15 ? 9.766 1.815 -9.184 1.00 0.00 ? 15 LYS B HD3 7 ATOM 9466 H HE2 . LYS B 1 15 ? 9.220 1.902 -11.399 1.00 0.00 ? 15 LYS B HE2 7 ATOM 9467 H HE3 . LYS B 1 15 ? 10.376 0.570 -11.427 1.00 0.00 ? 15 LYS B HE3 7 ATOM 9468 H HZ1 . LYS B 1 15 ? 8.034 -0.675 -10.915 1.00 0.00 ? 15 LYS B HZ1 7 ATOM 9469 H HZ2 . LYS B 1 15 ? 7.550 0.558 -11.967 1.00 0.00 ? 15 LYS B HZ2 7 ATOM 9470 H HZ3 . LYS B 1 15 ? 8.748 -0.540 -12.443 1.00 0.00 ? 15 LYS B HZ3 7 ATOM 9471 N N . GLU B 1 16 ? 8.498 -0.738 -4.620 1.00 0.00 ? 16 GLU B N 7 ATOM 9472 C CA . GLU B 1 16 ? 7.436 -1.199 -3.738 1.00 0.00 ? 16 GLU B CA 7 ATOM 9473 C C . GLU B 1 16 ? 6.757 -0.026 -3.040 1.00 0.00 ? 16 GLU B C 7 ATOM 9474 O O . GLU B 1 16 ? 5.552 -0.057 -2.801 1.00 0.00 ? 16 GLU B O 7 ATOM 9475 C CB . GLU B 1 16 ? 7.994 -2.173 -2.698 1.00 0.00 ? 16 GLU B CB 7 ATOM 9476 C CG . GLU B 1 16 ? 6.919 -2.900 -1.907 1.00 0.00 ? 16 GLU B CG 7 ATOM 9477 C CD . GLU B 1 16 ? 7.387 -4.245 -1.386 1.00 0.00 ? 16 GLU B CD 7 ATOM 9478 O OE1 . GLU B 1 16 ? 8.591 -4.547 -1.522 1.00 0.00 ? 16 GLU B OE1 7 ATOM 9479 O OE2 . GLU B 1 16 ? 6.549 -4.995 -0.843 1.00 0.00 ? 16 GLU B OE2 7 ATOM 9480 H H . GLU B 1 16 ? 9.424 -0.782 -4.306 1.00 0.00 ? 16 GLU B H 7 ATOM 9481 H HA . GLU B 1 16 ? 6.704 -1.712 -4.344 1.00 0.00 ? 16 GLU B HA 7 ATOM 9482 H HB2 . GLU B 1 16 ? 8.599 -2.912 -3.203 1.00 0.00 ? 16 GLU B HB2 7 ATOM 9483 H HB3 . GLU B 1 16 ? 8.613 -1.626 -2.004 1.00 0.00 ? 16 GLU B HB3 7 ATOM 9484 H HG2 . GLU B 1 16 ? 6.632 -2.286 -1.066 1.00 0.00 ? 16 GLU B HG2 7 ATOM 9485 H HG3 . GLU B 1 16 ? 6.062 -3.056 -2.547 1.00 0.00 ? 16 GLU B HG3 7 ATOM 9486 N N . ILE B 1 17 ? 7.530 1.009 -2.716 1.00 0.00 ? 17 ILE B N 7 ATOM 9487 C CA . ILE B 1 17 ? 6.979 2.183 -2.052 1.00 0.00 ? 17 ILE B CA 7 ATOM 9488 C C . ILE B 1 17 ? 6.126 3.001 -3.022 1.00 0.00 ? 17 ILE B C 7 ATOM 9489 O O . ILE B 1 17 ? 5.108 3.580 -2.638 1.00 0.00 ? 17 ILE B O 7 ATOM 9490 C CB . ILE B 1 17 ? 8.098 3.060 -1.429 1.00 0.00 ? 17 ILE B CB 7 ATOM 9491 C CG1 . ILE B 1 17 ? 8.753 3.981 -2.468 1.00 0.00 ? 17 ILE B CG1 7 ATOM 9492 C CG2 . ILE B 1 17 ? 9.151 2.173 -0.786 1.00 0.00 ? 17 ILE B CG2 7 ATOM 9493 C CD1 . ILE B 1 17 ? 8.202 5.390 -2.459 1.00 0.00 ? 17 ILE B CD1 7 ATOM 9494 H H . ILE B 1 17 ? 8.488 0.983 -2.930 1.00 0.00 ? 17 ILE B H 7 ATOM 9495 H HA . ILE B 1 17 ? 6.341 1.836 -1.249 1.00 0.00 ? 17 ILE B HA 7 ATOM 9496 H HB . ILE B 1 17 ? 7.655 3.664 -0.651 1.00 0.00 ? 17 ILE B HB 7 ATOM 9497 H HG12 . ILE B 1 17 ? 9.812 4.040 -2.270 1.00 0.00 ? 17 ILE B HG12 7 ATOM 9498 H HG13 . ILE B 1 17 ? 8.599 3.571 -3.453 1.00 0.00 ? 17 ILE B HG13 7 ATOM 9499 H HG21 . ILE B 1 17 ? 8.808 1.149 -0.785 1.00 0.00 ? 17 ILE B HG21 7 ATOM 9500 H HG22 . ILE B 1 17 ? 10.072 2.243 -1.345 1.00 0.00 ? 17 ILE B HG22 7 ATOM 9501 H HG23 . ILE B 1 17 ? 9.320 2.496 0.228 1.00 0.00 ? 17 ILE B HG23 7 ATOM 9502 H HD11 . ILE B 1 17 ? 7.467 5.484 -1.674 1.00 0.00 ? 17 ILE B HD11 7 ATOM 9503 H HD12 . ILE B 1 17 ? 9.005 6.090 -2.286 1.00 0.00 ? 17 ILE B HD12 7 ATOM 9504 H HD13 . ILE B 1 17 ? 7.739 5.602 -3.412 1.00 0.00 ? 17 ILE B HD13 7 ATOM 9505 N N . GLU B 1 18 ? 6.545 3.032 -4.284 1.00 0.00 ? 18 GLU B N 7 ATOM 9506 C CA . GLU B 1 18 ? 5.817 3.767 -5.311 1.00 0.00 ? 18 GLU B CA 7 ATOM 9507 C C . GLU B 1 18 ? 4.551 3.017 -5.706 1.00 0.00 ? 18 GLU B C 7 ATOM 9508 O O . GLU B 1 18 ? 3.476 3.608 -5.824 1.00 0.00 ? 18 GLU B O 7 ATOM 9509 C CB . GLU B 1 18 ? 6.701 3.988 -6.539 1.00 0.00 ? 18 GLU B CB 7 ATOM 9510 C CG . GLU B 1 18 ? 6.396 5.277 -7.284 1.00 0.00 ? 18 GLU B CG 7 ATOM 9511 C CD . GLU B 1 18 ? 7.408 6.370 -6.999 1.00 0.00 ? 18 GLU B CD 7 ATOM 9512 O OE1 . GLU B 1 18 ? 8.618 6.059 -6.946 1.00 0.00 ? 18 GLU B OE1 7 ATOM 9513 O OE2 . GLU B 1 18 ? 6.993 7.534 -6.827 1.00 0.00 ? 18 GLU B OE2 7 ATOM 9514 H H . GLU B 1 18 ? 7.360 2.540 -4.533 1.00 0.00 ? 18 GLU B H 7 ATOM 9515 H HA . GLU B 1 18 ? 5.538 4.725 -4.898 1.00 0.00 ? 18 GLU B HA 7 ATOM 9516 H HB2 . GLU B 1 18 ? 7.734 4.016 -6.223 1.00 0.00 ? 18 GLU B HB2 7 ATOM 9517 H HB3 . GLU B 1 18 ? 6.564 3.162 -7.220 1.00 0.00 ? 18 GLU B HB3 7 ATOM 9518 H HG2 . GLU B 1 18 ? 6.399 5.074 -8.345 1.00 0.00 ? 18 GLU B HG2 7 ATOM 9519 H HG3 . GLU B 1 18 ? 5.418 5.627 -6.986 1.00 0.00 ? 18 GLU B HG3 7 ATOM 9520 N N . ARG B 1 19 ? 4.683 1.709 -5.900 1.00 0.00 ? 19 ARG B N 7 ATOM 9521 C CA . ARG B 1 19 ? 3.547 0.876 -6.271 1.00 0.00 ? 19 ARG B CA 7 ATOM 9522 C C . ARG B 1 19 ? 2.576 0.748 -5.103 1.00 0.00 ? 19 ARG B C 7 ATOM 9523 O O . ARG B 1 19 ? 1.386 0.500 -5.297 1.00 0.00 ? 19 ARG B O 7 ATOM 9524 C CB . ARG B 1 19 ? 4.022 -0.509 -6.714 1.00 0.00 ? 19 ARG B CB 7 ATOM 9525 C CG . ARG B 1 19 ? 3.014 -1.250 -7.577 1.00 0.00 ? 19 ARG B CG 7 ATOM 9526 C CD . ARG B 1 19 ? 3.323 -1.089 -9.057 1.00 0.00 ? 19 ARG B CD 7 ATOM 9527 N NE . ARG B 1 19 ? 2.867 0.198 -9.574 1.00 0.00 ? 19 ARG B NE 7 ATOM 9528 C CZ . ARG B 1 19 ? 1.586 0.525 -9.709 1.00 0.00 ? 19 ARG B CZ 7 ATOM 9529 N NH1 . ARG B 1 19 ? 0.639 -0.339 -9.365 1.00 0.00 ? 19 ARG B NH1 7 ATOM 9530 N NH2 . ARG B 1 19 ? 1.249 1.715 -10.187 1.00 0.00 ? 19 ARG B NH2 7 ATOM 9531 H H . ARG B 1 19 ? 5.563 1.293 -5.783 1.00 0.00 ? 19 ARG B H 7 ATOM 9532 H HA . ARG B 1 19 ? 3.039 1.356 -7.094 1.00 0.00 ? 19 ARG B HA 7 ATOM 9533 H HB2 . ARG B 1 19 ? 4.935 -0.400 -7.278 1.00 0.00 ? 19 ARG B HB2 7 ATOM 9534 H HB3 . ARG B 1 19 ? 4.220 -1.106 -5.837 1.00 0.00 ? 19 ARG B HB3 7 ATOM 9535 H HG2 . ARG B 1 19 ? 3.042 -2.300 -7.325 1.00 0.00 ? 19 ARG B HG2 7 ATOM 9536 H HG3 . ARG B 1 19 ? 2.028 -0.857 -7.379 1.00 0.00 ? 19 ARG B HG3 7 ATOM 9537 H HD2 . ARG B 1 19 ? 4.390 -1.166 -9.198 1.00 0.00 ? 19 ARG B HD2 7 ATOM 9538 H HD3 . ARG B 1 19 ? 2.830 -1.881 -9.602 1.00 0.00 ? 19 ARG B HD3 7 ATOM 9539 H HE . ARG B 1 19 ? 3.550 0.850 -9.835 1.00 0.00 ? 19 ARG B HE 7 ATOM 9540 H HH11 . ARG B 1 19 ? 0.889 -1.237 -9.004 1.00 0.00 ? 19 ARG B HH11 7 ATOM 9541 H HH12 . ARG B 1 19 ? -0.324 -0.091 -9.467 1.00 0.00 ? 19 ARG B HH12 7 ATOM 9542 H HH21 . ARG B 1 19 ? 1.960 2.368 -10.447 1.00 0.00 ? 19 ARG B HH21 7 ATOM 9543 H HH22 . ARG B 1 19 ? 0.284 1.958 -10.287 1.00 0.00 ? 19 ARG B HH22 7 ATOM 9544 N N . LEU B 1 20 ? 3.089 0.930 -3.889 1.00 0.00 ? 20 LEU B N 7 ATOM 9545 C CA . LEU B 1 20 ? 2.263 0.848 -2.697 1.00 0.00 ? 20 LEU B CA 7 ATOM 9546 C C . LEU B 1 20 ? 1.345 2.059 -2.612 1.00 0.00 ? 20 LEU B C 7 ATOM 9547 O O . LEU B 1 20 ? 0.163 1.931 -2.300 1.00 0.00 ? 20 LEU B O 7 ATOM 9548 C CB . LEU B 1 20 ? 3.138 0.756 -1.444 1.00 0.00 ? 20 LEU B CB 7 ATOM 9549 C CG . LEU B 1 20 ? 3.304 -0.653 -0.868 1.00 0.00 ? 20 LEU B CG 7 ATOM 9550 C CD1 . LEU B 1 20 ? 2.070 -1.052 -0.075 1.00 0.00 ? 20 LEU B CD1 7 ATOM 9551 C CD2 . LEU B 1 20 ? 3.576 -1.658 -1.977 1.00 0.00 ? 20 LEU B CD2 7 ATOM 9552 H H . LEU B 1 20 ? 4.042 1.136 -3.795 1.00 0.00 ? 20 LEU B H 7 ATOM 9553 H HA . LEU B 1 20 ? 1.659 -0.044 -2.771 1.00 0.00 ? 20 LEU B HA 7 ATOM 9554 H HB2 . LEU B 1 20 ? 4.117 1.143 -1.686 1.00 0.00 ? 20 LEU B HB2 7 ATOM 9555 H HB3 . LEU B 1 20 ? 2.703 1.382 -0.682 1.00 0.00 ? 20 LEU B HB3 7 ATOM 9556 H HG . LEU B 1 20 ? 4.149 -0.661 -0.194 1.00 0.00 ? 20 LEU B HG 7 ATOM 9557 H HD11 . LEU B 1 20 ? 1.768 -0.232 0.559 1.00 0.00 ? 20 LEU B HD11 7 ATOM 9558 H HD12 . LEU B 1 20 ? 1.268 -1.296 -0.755 1.00 0.00 ? 20 LEU B HD12 7 ATOM 9559 H HD13 . LEU B 1 20 ? 2.298 -1.914 0.536 1.00 0.00 ? 20 LEU B HD13 7 ATOM 9560 H HD21 . LEU B 1 20 ? 3.652 -1.141 -2.922 1.00 0.00 ? 20 LEU B HD21 7 ATOM 9561 H HD22 . LEU B 1 20 ? 4.501 -2.177 -1.774 1.00 0.00 ? 20 LEU B HD22 7 ATOM 9562 H HD23 . LEU B 1 20 ? 2.766 -2.372 -2.022 1.00 0.00 ? 20 LEU B HD23 7 ATOM 9563 N N . GLN B 1 21 ? 1.896 3.233 -2.908 1.00 0.00 ? 21 GLN B N 7 ATOM 9564 C CA . GLN B 1 21 ? 1.118 4.466 -2.880 1.00 0.00 ? 21 GLN B CA 7 ATOM 9565 C C . GLN B 1 21 ? -0.033 4.392 -3.877 1.00 0.00 ? 21 GLN B C 7 ATOM 9566 O O . GLN B 1 21 ? -1.187 4.657 -3.535 1.00 0.00 ? 21 GLN B O 7 ATOM 9567 C CB . GLN B 1 21 ? 2.011 5.667 -3.200 1.00 0.00 ? 21 GLN B CB 7 ATOM 9568 C CG . GLN B 1 21 ? 1.714 6.889 -2.349 1.00 0.00 ? 21 GLN B CG 7 ATOM 9569 C CD . GLN B 1 21 ? 1.256 8.077 -3.174 1.00 0.00 ? 21 GLN B CD 7 ATOM 9570 O OE1 . GLN B 1 21 ? 0.066 8.388 -3.229 1.00 0.00 ? 21 GLN B OE1 7 ATOM 9571 N NE2 . GLN B 1 21 ? 2.202 8.747 -3.822 1.00 0.00 ? 21 GLN B NE2 7 ATOM 9572 H H . GLN B 1 21 ? 2.845 3.270 -3.160 1.00 0.00 ? 21 GLN B H 7 ATOM 9573 H HA . GLN B 1 21 ? 0.713 4.583 -1.887 1.00 0.00 ? 21 GLN B HA 7 ATOM 9574 H HB2 . GLN B 1 21 ? 3.042 5.386 -3.041 1.00 0.00 ? 21 GLN B HB2 7 ATOM 9575 H HB3 . GLN B 1 21 ? 1.876 5.935 -4.238 1.00 0.00 ? 21 GLN B HB3 7 ATOM 9576 H HG2 . GLN B 1 21 ? 0.937 6.641 -1.642 1.00 0.00 ? 21 GLN B HG2 7 ATOM 9577 H HG3 . GLN B 1 21 ? 2.610 7.166 -1.813 1.00 0.00 ? 21 GLN B HG3 7 ATOM 9578 H HE21 . GLN B 1 21 ? 3.129 8.442 -3.733 1.00 0.00 ? 21 GLN B HE21 7 ATOM 9579 H HE22 . GLN B 1 21 ? 1.934 9.519 -4.363 1.00 0.00 ? 21 GLN B HE22 7 ATOM 9580 N N . LYS B 1 22 ? 0.288 4.017 -5.113 1.00 0.00 ? 22 LYS B N 7 ATOM 9581 C CA . LYS B 1 22 ? -0.720 3.898 -6.158 1.00 0.00 ? 22 LYS B CA 7 ATOM 9582 C C . LYS B 1 22 ? -1.722 2.800 -5.816 1.00 0.00 ? 22 LYS B C 7 ATOM 9583 O O . LYS B 1 22 ? -2.865 2.824 -6.270 1.00 0.00 ? 22 LYS B O 7 ATOM 9584 C CB . LYS B 1 22 ? -0.058 3.601 -7.504 1.00 0.00 ? 22 LYS B CB 7 ATOM 9585 C CG . LYS B 1 22 ? 0.028 4.811 -8.420 1.00 0.00 ? 22 LYS B CG 7 ATOM 9586 C CD . LYS B 1 22 ? 0.997 5.850 -7.881 1.00 0.00 ? 22 LYS B CD 7 ATOM 9587 C CE . LYS B 1 22 ? 0.263 6.992 -7.197 1.00 0.00 ? 22 LYS B CE 7 ATOM 9588 N NZ . LYS B 1 22 ? 0.285 8.236 -8.016 1.00 0.00 ? 22 LYS B NZ 7 ATOM 9589 H H . LYS B 1 22 ? 1.224 3.811 -5.324 1.00 0.00 ? 22 LYS B H 7 ATOM 9590 H HA . LYS B 1 22 ? -1.243 4.840 -6.223 1.00 0.00 ? 22 LYS B HA 7 ATOM 9591 H HB2 . LYS B 1 22 ? 0.945 3.238 -7.327 1.00 0.00 ? 22 LYS B HB2 7 ATOM 9592 H HB3 . LYS B 1 22 ? -0.624 2.833 -8.010 1.00 0.00 ? 22 LYS B HB3 7 ATOM 9593 H HG2 . LYS B 1 22 ? 0.367 4.490 -9.395 1.00 0.00 ? 22 LYS B HG2 7 ATOM 9594 H HG3 . LYS B 1 22 ? -0.953 5.255 -8.506 1.00 0.00 ? 22 LYS B HG3 7 ATOM 9595 H HD2 . LYS B 1 22 ? 1.654 5.378 -7.166 1.00 0.00 ? 22 LYS B HD2 7 ATOM 9596 H HD3 . LYS B 1 22 ? 1.578 6.246 -8.701 1.00 0.00 ? 22 LYS B HD3 7 ATOM 9597 H HE2 . LYS B 1 22 ? -0.762 6.699 -7.033 1.00 0.00 ? 22 LYS B HE2 7 ATOM 9598 H HE3 . LYS B 1 22 ? 0.738 7.189 -6.246 1.00 0.00 ? 22 LYS B HE3 7 ATOM 9599 H HZ1 . LYS B 1 22 ? 0.058 8.016 -9.006 1.00 0.00 ? 22 LYS B HZ1 7 ATOM 9600 H HZ2 . LYS B 1 22 ? -0.415 8.914 -7.654 1.00 0.00 ? 22 LYS B HZ2 7 ATOM 9601 H HZ3 . LYS B 1 22 ? 1.228 8.673 -7.977 1.00 0.00 ? 22 LYS B HZ3 7 ATOM 9602 N N . GLU B 1 23 ? -1.282 1.837 -5.010 1.00 0.00 ? 23 GLU B N 7 ATOM 9603 C CA . GLU B 1 23 ? -2.138 0.730 -4.604 1.00 0.00 ? 23 GLU B CA 7 ATOM 9604 C C . GLU B 1 23 ? -3.158 1.182 -3.563 1.00 0.00 ? 23 GLU B C 7 ATOM 9605 O O . GLU B 1 23 ? -4.277 0.669 -3.513 1.00 0.00 ? 23 GLU B O 7 ATOM 9606 C CB . GLU B 1 23 ? -1.294 -0.416 -4.043 1.00 0.00 ? 23 GLU B CB 7 ATOM 9607 C CG . GLU B 1 23 ? -2.120 -1.563 -3.483 1.00 0.00 ? 23 GLU B CG 7 ATOM 9608 C CD . GLU B 1 23 ? -3.238 -1.985 -4.417 1.00 0.00 ? 23 GLU B CD 7 ATOM 9609 O OE1 . GLU B 1 23 ? -2.934 -2.543 -5.492 1.00 0.00 ? 23 GLU B OE1 7 ATOM 9610 O OE2 . GLU B 1 23 ? -4.416 -1.759 -4.071 1.00 0.00 ? 23 GLU B OE2 7 ATOM 9611 H H . GLU B 1 23 ? -0.361 1.873 -4.679 1.00 0.00 ? 23 GLU B H 7 ATOM 9612 H HA . GLU B 1 23 ? -2.666 0.382 -5.478 1.00 0.00 ? 23 GLU B HA 7 ATOM 9613 H HB2 . GLU B 1 23 ? -0.666 -0.804 -4.832 1.00 0.00 ? 23 GLU B HB2 7 ATOM 9614 H HB3 . GLU B 1 23 ? -0.667 -0.032 -3.252 1.00 0.00 ? 23 GLU B HB3 7 ATOM 9615 H HG2 . GLU B 1 23 ? -1.471 -2.409 -3.318 1.00 0.00 ? 23 GLU B HG2 7 ATOM 9616 H HG3 . GLU B 1 23 ? -2.552 -1.252 -2.543 1.00 0.00 ? 23 GLU B HG3 7 ATOM 9617 N N . ILE B 1 24 ? -2.769 2.148 -2.735 1.00 0.00 ? 24 ILE B N 7 ATOM 9618 C CA . ILE B 1 24 ? -3.662 2.663 -1.702 1.00 0.00 ? 24 ILE B CA 7 ATOM 9619 C C . ILE B 1 24 ? -4.801 3.456 -2.343 1.00 0.00 ? 24 ILE B C 7 ATOM 9620 O O . ILE B 1 24 ? -5.962 3.329 -1.952 1.00 0.00 ? 24 ILE B O 7 ATOM 9621 C CB . ILE B 1 24 ? -2.902 3.524 -0.636 1.00 0.00 ? 24 ILE B CB 7 ATOM 9622 C CG1 . ILE B 1 24 ? -2.943 5.027 -0.951 1.00 0.00 ? 24 ILE B CG1 7 ATOM 9623 C CG2 . ILE B 1 24 ? -1.457 3.066 -0.502 1.00 0.00 ? 24 ILE B CG2 7 ATOM 9624 C CD1 . ILE B 1 24 ? -4.242 5.686 -0.539 1.00 0.00 ? 24 ILE B CD1 7 ATOM 9625 H H . ILE B 1 24 ? -1.869 2.522 -2.824 1.00 0.00 ? 24 ILE B H 7 ATOM 9626 H HA . ILE B 1 24 ? -4.090 1.809 -1.192 1.00 0.00 ? 24 ILE B HA 7 ATOM 9627 H HB . ILE B 1 24 ? -3.383 3.358 0.318 1.00 0.00 ? 24 ILE B HB 7 ATOM 9628 H HG12 . ILE B 1 24 ? -2.139 5.521 -0.426 1.00 0.00 ? 24 ILE B HG12 7 ATOM 9629 H HG13 . ILE B 1 24 ? -2.817 5.173 -2.013 1.00 0.00 ? 24 ILE B HG13 7 ATOM 9630 H HG21 . ILE B 1 24 ? -1.385 2.021 -0.763 1.00 0.00 ? 24 ILE B HG21 7 ATOM 9631 H HG22 . ILE B 1 24 ? -0.833 3.647 -1.162 1.00 0.00 ? 24 ILE B HG22 7 ATOM 9632 H HG23 . ILE B 1 24 ? -1.128 3.205 0.516 1.00 0.00 ? 24 ILE B HG23 7 ATOM 9633 H HD11 . ILE B 1 24 ? -4.892 4.948 -0.086 1.00 0.00 ? 24 ILE B HD11 7 ATOM 9634 H HD12 . ILE B 1 24 ? -4.037 6.470 0.175 1.00 0.00 ? 24 ILE B HD12 7 ATOM 9635 H HD13 . ILE B 1 24 ? -4.725 6.106 -1.408 1.00 0.00 ? 24 ILE B HD13 7 ATOM 9636 N N . GLU B 1 25 ? -4.453 4.270 -3.338 1.00 0.00 ? 25 GLU B N 7 ATOM 9637 C CA . GLU B 1 25 ? -5.439 5.078 -4.044 1.00 0.00 ? 25 GLU B CA 7 ATOM 9638 C C . GLU B 1 25 ? -6.444 4.186 -4.761 1.00 0.00 ? 25 GLU B C 7 ATOM 9639 O O . GLU B 1 25 ? -7.651 4.427 -4.712 1.00 0.00 ? 25 GLU B O 7 ATOM 9640 C CB . GLU B 1 25 ? -4.750 6.002 -5.049 1.00 0.00 ? 25 GLU B CB 7 ATOM 9641 C CG . GLU B 1 25 ? -5.659 7.086 -5.603 1.00 0.00 ? 25 GLU B CG 7 ATOM 9642 C CD . GLU B 1 25 ? -5.310 8.465 -5.079 1.00 0.00 ? 25 GLU B CD 7 ATOM 9643 O OE1 . GLU B 1 25 ? -5.356 8.660 -3.845 1.00 0.00 ? 25 GLU B OE1 7 ATOM 9644 O OE2 . GLU B 1 25 ? -4.992 9.350 -5.900 1.00 0.00 ? 25 GLU B OE2 7 ATOM 9645 H H . GLU B 1 25 ? -3.510 4.321 -3.606 1.00 0.00 ? 25 GLU B H 7 ATOM 9646 H HA . GLU B 1 25 ? -5.962 5.679 -3.314 1.00 0.00 ? 25 GLU B HA 7 ATOM 9647 H HB2 . GLU B 1 25 ? -3.910 6.479 -4.565 1.00 0.00 ? 25 GLU B HB2 7 ATOM 9648 H HB3 . GLU B 1 25 ? -4.387 5.409 -5.876 1.00 0.00 ? 25 GLU B HB3 7 ATOM 9649 H HG2 . GLU B 1 25 ? -5.572 7.095 -6.680 1.00 0.00 ? 25 GLU B HG2 7 ATOM 9650 H HG3 . GLU B 1 25 ? -6.679 6.859 -5.327 1.00 0.00 ? 25 GLU B HG3 7 ATOM 9651 N N . ARG B 1 26 ? -5.938 3.148 -5.418 1.00 0.00 ? 26 ARG B N 7 ATOM 9652 C CA . ARG B 1 26 ? -6.793 2.211 -6.136 1.00 0.00 ? 26 ARG B CA 7 ATOM 9653 C C . ARG B 1 26 ? -7.800 1.578 -5.184 1.00 0.00 ? 26 ARG B C 7 ATOM 9654 O O . ARG B 1 26 ? -8.955 1.352 -5.543 1.00 0.00 ? 26 ARG B O 7 ATOM 9655 C CB . ARG B 1 26 ? -5.950 1.125 -6.807 1.00 0.00 ? 26 ARG B CB 7 ATOM 9656 C CG . ARG B 1 26 ? -5.717 1.365 -8.290 1.00 0.00 ? 26 ARG B CG 7 ATOM 9657 C CD . ARG B 1 26 ? -4.932 0.227 -8.922 1.00 0.00 ? 26 ARG B CD 7 ATOM 9658 N NE . ARG B 1 26 ? -5.513 -0.198 -10.192 1.00 0.00 ? 26 ARG B NE 7 ATOM 9659 C CZ . ARG B 1 26 ? -4.860 -0.927 -11.092 1.00 0.00 ? 26 ARG B CZ 7 ATOM 9660 N NH1 . ARG B 1 26 ? -3.611 -1.309 -10.860 1.00 0.00 ? 26 ARG B NH1 7 ATOM 9661 N NH2 . ARG B 1 26 ? -5.457 -1.275 -12.223 1.00 0.00 ? 26 ARG B NH2 7 ATOM 9662 H H . ARG B 1 26 ? -4.969 3.005 -5.414 1.00 0.00 ? 26 ARG B H 7 ATOM 9663 H HA . ARG B 1 26 ? -7.328 2.763 -6.895 1.00 0.00 ? 26 ARG B HA 7 ATOM 9664 H HB2 . ARG B 1 26 ? -4.988 1.077 -6.316 1.00 0.00 ? 26 ARG B HB2 7 ATOM 9665 H HB3 . ARG B 1 26 ? -6.450 0.175 -6.692 1.00 0.00 ? 26 ARG B HB3 7 ATOM 9666 H HG2 . ARG B 1 26 ? -6.672 1.449 -8.785 1.00 0.00 ? 26 ARG B HG2 7 ATOM 9667 H HG3 . ARG B 1 26 ? -5.163 2.285 -8.412 1.00 0.00 ? 26 ARG B HG3 7 ATOM 9668 H HD2 . ARG B 1 26 ? -3.918 0.558 -9.093 1.00 0.00 ? 26 ARG B HD2 7 ATOM 9669 H HD3 . ARG B 1 26 ? -4.925 -0.611 -8.240 1.00 0.00 ? 26 ARG B HD3 7 ATOM 9670 H HE . ARG B 1 26 ? -6.435 0.072 -10.383 1.00 0.00 ? 26 ARG B HE 7 ATOM 9671 H HH11 . ARG B 1 26 ? -3.159 -1.048 -10.008 1.00 0.00 ? 26 ARG B HH11 7 ATOM 9672 H HH12 . ARG B 1 26 ? -3.123 -1.857 -11.539 1.00 0.00 ? 26 ARG B HH12 7 ATOM 9673 H HH21 . ARG B 1 26 ? -6.399 -0.989 -12.401 1.00 0.00 ? 26 ARG B HH21 7 ATOM 9674 H HH22 . ARG B 1 26 ? -4.965 -1.823 -12.900 1.00 0.00 ? 26 ARG B HH22 7 ATOM 9675 N N . HIS B 1 27 ? -7.353 1.303 -3.962 1.00 0.00 ? 27 HIS B N 7 ATOM 9676 C CA . HIS B 1 27 ? -8.216 0.708 -2.953 1.00 0.00 ? 27 HIS B CA 7 ATOM 9677 C C . HIS B 1 27 ? -9.285 1.702 -2.518 1.00 0.00 ? 27 HIS B C 7 ATOM 9678 O O . HIS B 1 27 ? -10.383 1.316 -2.119 1.00 0.00 ? 27 HIS B O 7 ATOM 9679 C CB . HIS B 1 27 ? -7.394 0.261 -1.743 1.00 0.00 ? 27 HIS B CB 7 ATOM 9680 C CG . HIS B 1 27 ? -7.238 -1.225 -1.642 1.00 0.00 ? 27 HIS B CG 7 ATOM 9681 N ND1 . HIS B 1 27 ? -8.306 -2.085 -1.484 1.00 0.00 ? 27 HIS B ND1 7 ATOM 9682 C CD2 . HIS B 1 27 ? -6.131 -2.005 -1.678 1.00 0.00 ? 27 HIS B CD2 7 ATOM 9683 C CE1 . HIS B 1 27 ? -7.861 -3.329 -1.424 1.00 0.00 ? 27 HIS B CE1 7 ATOM 9684 N NE2 . HIS B 1 27 ? -6.548 -3.307 -1.541 1.00 0.00 ? 27 HIS B NE2 7 ATOM 9685 H H . HIS B 1 27 ? -6.424 1.515 -3.731 1.00 0.00 ? 27 HIS B H 7 ATOM 9686 H HA . HIS B 1 27 ? -8.698 -0.154 -3.391 1.00 0.00 ? 27 HIS B HA 7 ATOM 9687 H HB2 . HIS B 1 27 ? -6.407 0.692 -1.808 1.00 0.00 ? 27 HIS B HB2 7 ATOM 9688 H HB3 . HIS B 1 27 ? -7.874 0.607 -0.841 1.00 0.00 ? 27 HIS B HB3 7 ATOM 9689 H HD1 . HIS B 1 27 ? -9.248 -1.823 -1.421 1.00 0.00 ? 27 HIS B HD1 7 ATOM 9690 H HD2 . HIS B 1 27 ? -5.112 -1.667 -1.793 1.00 0.00 ? 27 HIS B HD2 7 ATOM 9691 H HE1 . HIS B 1 27 ? -8.470 -4.212 -1.303 1.00 0.00 ? 27 HIS B HE1 7 ATOM 9692 H HE2 . HIS B 1 27 ? -5.965 -4.094 -1.530 1.00 0.00 ? 27 HIS B HE2 7 ATOM 9693 N N . LYS B 1 28 ? -8.953 2.988 -2.601 1.00 0.00 ? 28 LYS B N 7 ATOM 9694 C CA . LYS B 1 28 ? -9.882 4.047 -2.222 1.00 0.00 ? 28 LYS B CA 7 ATOM 9695 C C . LYS B 1 28 ? -10.994 4.183 -3.255 1.00 0.00 ? 28 LYS B C 7 ATOM 9696 O O . LYS B 1 28 ? -12.111 4.586 -2.931 1.00 0.00 ? 28 LYS B O 7 ATOM 9697 C CB . LYS B 1 28 ? -9.140 5.376 -2.075 1.00 0.00 ? 28 LYS B CB 7 ATOM 9698 C CG . LYS B 1 28 ? -9.997 6.490 -1.496 1.00 0.00 ? 28 LYS B CG 7 ATOM 9699 C CD . LYS B 1 28 ? -9.512 7.858 -1.948 1.00 0.00 ? 28 LYS B CD 7 ATOM 9700 C CE . LYS B 1 28 ? -10.402 8.434 -3.036 1.00 0.00 ? 28 LYS B CE 7 ATOM 9701 N NZ . LYS B 1 28 ? -10.463 9.920 -2.976 1.00 0.00 ? 28 LYS B NZ 7 ATOM 9702 H H . LYS B 1 28 ? -8.061 3.230 -2.928 1.00 0.00 ? 28 LYS B H 7 ATOM 9703 H HA . LYS B 1 28 ? -10.320 3.781 -1.272 1.00 0.00 ? 28 LYS B HA 7 ATOM 9704 H HB2 . LYS B 1 28 ? -8.290 5.231 -1.426 1.00 0.00 ? 28 LYS B HB2 7 ATOM 9705 H HB3 . LYS B 1 28 ? -8.790 5.689 -3.048 1.00 0.00 ? 28 LYS B HB3 7 ATOM 9706 H HG2 . LYS B 1 28 ? -11.017 6.355 -1.825 1.00 0.00 ? 28 LYS B HG2 7 ATOM 9707 H HG3 . LYS B 1 28 ? -9.954 6.440 -0.418 1.00 0.00 ? 28 LYS B HG3 7 ATOM 9708 H HD2 . LYS B 1 28 ? -9.517 8.529 -1.101 1.00 0.00 ? 28 LYS B HD2 7 ATOM 9709 H HD3 . LYS B 1 28 ? -8.505 7.764 -2.329 1.00 0.00 ? 28 LYS B HD3 7 ATOM 9710 H HE2 . LYS B 1 28 ? -10.010 8.137 -3.998 1.00 0.00 ? 28 LYS B HE2 7 ATOM 9711 H HE3 . LYS B 1 28 ? -11.399 8.036 -2.916 1.00 0.00 ? 28 LYS B HE3 7 ATOM 9712 H HZ1 . LYS B 1 28 ? -10.486 10.237 -1.986 1.00 0.00 ? 28 LYS B HZ1 7 ATOM 9713 H HZ2 . LYS B 1 28 ? -9.628 10.331 -3.441 1.00 0.00 ? 28 LYS B HZ2 7 ATOM 9714 H HZ3 . LYS B 1 28 ? -11.317 10.263 -3.458 1.00 0.00 ? 28 LYS B HZ3 7 ATOM 9715 N N . GLN B 1 29 ? -10.682 3.841 -4.501 1.00 0.00 ? 29 GLN B N 7 ATOM 9716 C CA . GLN B 1 29 ? -11.655 3.922 -5.582 1.00 0.00 ? 29 GLN B CA 7 ATOM 9717 C C . GLN B 1 29 ? -12.629 2.750 -5.525 1.00 0.00 ? 29 GLN B C 7 ATOM 9718 O O . GLN B 1 29 ? -13.812 2.897 -5.833 1.00 0.00 ? 29 GLN B O 7 ATOM 9719 C CB . GLN B 1 29 ? -10.945 3.946 -6.936 1.00 0.00 ? 29 GLN B CB 7 ATOM 9720 C CG . GLN B 1 29 ? -11.717 4.686 -8.017 1.00 0.00 ? 29 GLN B CG 7 ATOM 9721 C CD . GLN B 1 29 ? -11.091 6.021 -8.370 1.00 0.00 ? 29 GLN B CD 7 ATOM 9722 O OE1 . GLN B 1 29 ? -10.295 6.119 -9.303 1.00 0.00 ? 29 GLN B OE1 7 ATOM 9723 N NE2 . GLN B 1 29 ? -11.450 7.059 -7.622 1.00 0.00 ? 29 GLN B NE2 7 ATOM 9724 H H . GLN B 1 29 ? -9.775 3.525 -4.697 1.00 0.00 ? 29 GLN B H 7 ATOM 9725 H HA . GLN B 1 29 ? -12.210 4.842 -5.460 1.00 0.00 ? 29 GLN B HA 7 ATOM 9726 H HB2 . GLN B 1 29 ? -9.984 4.426 -6.818 1.00 0.00 ? 29 GLN B HB2 7 ATOM 9727 H HB3 . GLN B 1 29 ? -10.791 2.929 -7.267 1.00 0.00 ? 29 GLN B HB3 7 ATOM 9728 H HG2 . GLN B 1 29 ? -11.745 4.073 -8.905 1.00 0.00 ? 29 GLN B HG2 7 ATOM 9729 H HG3 . GLN B 1 29 ? -12.725 4.857 -7.667 1.00 0.00 ? 29 GLN B HG3 7 ATOM 9730 H HE21 . GLN B 1 29 ? -12.090 6.907 -6.895 1.00 0.00 ? 29 GLN B HE21 7 ATOM 9731 H HE22 . GLN B 1 29 ? -11.061 7.934 -7.829 1.00 0.00 ? 29 GLN B HE22 7 ATOM 9732 N N . SER B 1 30 ? -12.124 1.586 -5.130 1.00 0.00 ? 30 SER B N 7 ATOM 9733 C CA . SER B 1 30 ? -12.951 0.388 -5.033 1.00 0.00 ? 30 SER B CA 7 ATOM 9734 C C . SER B 1 30 ? -13.848 0.445 -3.801 1.00 0.00 ? 30 SER B C 7 ATOM 9735 O O . SER B 1 30 ? -14.970 -0.063 -3.815 1.00 0.00 ? 30 SER B O 7 ATOM 9736 C CB . SER B 1 30 ? -12.071 -0.863 -4.979 1.00 0.00 ? 30 SER B CB 7 ATOM 9737 O OG . SER B 1 30 ? -11.884 -1.410 -6.273 1.00 0.00 ? 30 SER B OG 7 ATOM 9738 H H . SER B 1 30 ? -11.172 1.531 -4.898 1.00 0.00 ? 30 SER B H 7 ATOM 9739 H HA . SER B 1 30 ? -13.572 0.344 -5.914 1.00 0.00 ? 30 SER B HA 7 ATOM 9740 H HB2 . SER B 1 30 ? -11.107 -0.606 -4.568 1.00 0.00 ? 30 SER B HB2 7 ATOM 9741 H HB3 . SER B 1 30 ? -12.544 -1.605 -4.353 1.00 0.00 ? 30 SER B HB3 7 ATOM 9742 H HG . SER B 1 30 ? -12.706 -1.799 -6.579 1.00 0.00 ? 30 SER B HG 7 ATOM 9743 N N . ILE B 1 31 ? -13.349 1.065 -2.738 1.00 0.00 ? 31 ILE B N 7 ATOM 9744 C CA . ILE B 1 31 ? -14.108 1.188 -1.499 1.00 0.00 ? 31 ILE B CA 7 ATOM 9745 C C . ILE B 1 31 ? -15.175 2.269 -1.619 1.00 0.00 ? 31 ILE B C 7 ATOM 9746 O O . ILE B 1 31 ? -16.240 2.176 -1.006 1.00 0.00 ? 31 ILE B O 7 ATOM 9747 C CB . ILE B 1 31 ? -13.191 1.509 -0.302 1.00 0.00 ? 31 ILE B CB 7 ATOM 9748 C CG1 . ILE B 1 31 ? -14.011 1.488 1.009 1.00 0.00 ? 31 ILE B CG1 7 ATOM 9749 C CG2 . ILE B 1 31 ? -12.469 2.836 -0.529 1.00 0.00 ? 31 ILE B CG2 7 ATOM 9750 C CD1 . ILE B 1 31 ? -14.233 2.836 1.676 1.00 0.00 ? 31 ILE B CD1 7 ATOM 9751 H H . ILE B 1 31 ? -12.451 1.451 -2.788 1.00 0.00 ? 31 ILE B H 7 ATOM 9752 H HA . ILE B 1 31 ? -14.592 0.240 -1.311 1.00 0.00 ? 31 ILE B HA 7 ATOM 9753 H HB . ILE B 1 31 ? -12.438 0.736 -0.249 1.00 0.00 ? 31 ILE B HB 7 ATOM 9754 H HG12 . ILE B 1 31 ? -14.984 1.070 0.801 1.00 0.00 ? 31 ILE B HG12 7 ATOM 9755 H HG13 . ILE B 1 31 ? -13.506 0.850 1.719 1.00 0.00 ? 31 ILE B HG13 7 ATOM 9756 H HG21 . ILE B 1 31 ? -11.998 2.827 -1.500 1.00 0.00 ? 31 ILE B HG21 7 ATOM 9757 H HG22 . ILE B 1 31 ? -13.180 3.646 -0.481 1.00 0.00 ? 31 ILE B HG22 7 ATOM 9758 H HG23 . ILE B 1 31 ? -11.717 2.971 0.235 1.00 0.00 ? 31 ILE B HG23 7 ATOM 9759 H HD11 . ILE B 1 31 ? -14.235 3.616 0.929 1.00 0.00 ? 31 ILE B HD11 7 ATOM 9760 H HD12 . ILE B 1 31 ? -15.183 2.831 2.190 1.00 0.00 ? 31 ILE B HD12 7 ATOM 9761 H HD13 . ILE B 1 31 ? -13.441 3.019 2.387 1.00 0.00 ? 31 ILE B HD13 7 ATOM 9762 N N . LYS B 1 32 ? -14.886 3.292 -2.415 1.00 0.00 ? 32 LYS B N 7 ATOM 9763 C CA . LYS B 1 32 ? -15.825 4.389 -2.618 1.00 0.00 ? 32 LYS B CA 7 ATOM 9764 C C . LYS B 1 32 ? -16.938 3.974 -3.574 1.00 0.00 ? 32 LYS B C 7 ATOM 9765 O O . LYS B 1 32 ? -18.092 4.372 -3.410 1.00 0.00 ? 32 LYS B O 7 ATOM 9766 C CB . LYS B 1 32 ? -15.097 5.618 -3.166 1.00 0.00 ? 32 LYS B CB 7 ATOM 9767 C CG . LYS B 1 32 ? -15.839 6.922 -2.923 1.00 0.00 ? 32 LYS B CG 7 ATOM 9768 C CD . LYS B 1 32 ? -15.748 7.848 -4.126 1.00 0.00 ? 32 LYS B CD 7 ATOM 9769 C CE . LYS B 1 32 ? -16.465 7.265 -5.333 1.00 0.00 ? 32 LYS B CE 7 ATOM 9770 N NZ . LYS B 1 32 ? -15.716 7.511 -6.596 1.00 0.00 ? 32 LYS B NZ 7 ATOM 9771 H H . LYS B 1 32 ? -14.023 3.309 -2.879 1.00 0.00 ? 32 LYS B H 7 ATOM 9772 H HA . LYS B 1 32 ? -16.261 4.635 -1.662 1.00 0.00 ? 32 LYS B HA 7 ATOM 9773 H HB2 . LYS B 1 32 ? -14.128 5.687 -2.696 1.00 0.00 ? 32 LYS B HB2 7 ATOM 9774 H HB3 . LYS B 1 32 ? -14.963 5.498 -4.232 1.00 0.00 ? 32 LYS B HB3 7 ATOM 9775 H HG2 . LYS B 1 32 ? -16.878 6.704 -2.729 1.00 0.00 ? 32 LYS B HG2 7 ATOM 9776 H HG3 . LYS B 1 32 ? -15.406 7.417 -2.066 1.00 0.00 ? 32 LYS B HG3 7 ATOM 9777 H HD2 . LYS B 1 32 ? -16.200 8.796 -3.875 1.00 0.00 ? 32 LYS B HD2 7 ATOM 9778 H HD3 . LYS B 1 32 ? -14.707 7.998 -4.374 1.00 0.00 ? 32 LYS B HD3 7 ATOM 9779 H HE2 . LYS B 1 32 ? -16.572 6.199 -5.191 1.00 0.00 ? 32 LYS B HE2 7 ATOM 9780 H HE3 . LYS B 1 32 ? -17.442 7.718 -5.408 1.00 0.00 ? 32 LYS B HE3 7 ATOM 9781 H HZ1 . LYS B 1 32 ? -14.714 7.262 -6.473 1.00 0.00 ? 32 LYS B HZ1 7 ATOM 9782 H HZ2 . LYS B 1 32 ? -16.114 6.935 -7.365 1.00 0.00 ? 32 LYS B HZ2 7 ATOM 9783 H HZ3 . LYS B 1 32 ? -15.782 8.516 -6.860 1.00 0.00 ? 32 LYS B HZ3 7 ATOM 9784 N N . LYS B 1 33 ? -16.586 3.167 -4.570 1.00 0.00 ? 33 LYS B N 7 ATOM 9785 C CA . LYS B 1 33 ? -17.557 2.695 -5.549 1.00 0.00 ? 33 LYS B CA 7 ATOM 9786 C C . LYS B 1 33 ? -18.445 1.611 -4.947 1.00 0.00 ? 33 LYS B C 7 ATOM 9787 O O . LYS B 1 33 ? -19.624 1.503 -5.282 1.00 0.00 ? 33 LYS B O 7 ATOM 9788 C CB . LYS B 1 33 ? -16.845 2.158 -6.791 1.00 0.00 ? 33 LYS B CB 7 ATOM 9789 C CG . LYS B 1 33 ? -17.337 2.777 -8.090 1.00 0.00 ? 33 LYS B CG 7 ATOM 9790 C CD . LYS B 1 33 ? -17.073 1.863 -9.276 1.00 0.00 ? 33 LYS B CD 7 ATOM 9791 C CE . LYS B 1 33 ? -15.588 1.770 -9.587 1.00 0.00 ? 33 LYS B CE 7 ATOM 9792 N NZ . LYS B 1 33 ? -15.138 0.358 -9.729 1.00 0.00 ? 33 LYS B NZ 7 ATOM 9793 H H . LYS B 1 33 ? -15.652 2.881 -4.647 1.00 0.00 ? 33 LYS B H 7 ATOM 9794 H HA . LYS B 1 33 ? -18.176 3.533 -5.833 1.00 0.00 ? 33 LYS B HA 7 ATOM 9795 H HB2 . LYS B 1 33 ? -15.787 2.358 -6.701 1.00 0.00 ? 33 LYS B HB2 7 ATOM 9796 H HB3 . LYS B 1 33 ? -16.996 1.090 -6.845 1.00 0.00 ? 33 LYS B HB3 7 ATOM 9797 H HG2 . LYS B 1 33 ? -18.399 2.952 -8.013 1.00 0.00 ? 33 LYS B HG2 7 ATOM 9798 H HG3 . LYS B 1 33 ? -16.825 3.714 -8.247 1.00 0.00 ? 33 LYS B HG3 7 ATOM 9799 H HD2 . LYS B 1 33 ? -17.445 0.876 -9.048 1.00 0.00 ? 33 LYS B HD2 7 ATOM 9800 H HD3 . LYS B 1 33 ? -17.589 2.255 -10.140 1.00 0.00 ? 33 LYS B HD3 7 ATOM 9801 H HE2 . LYS B 1 33 ? -15.392 2.294 -10.511 1.00 0.00 ? 33 LYS B HE2 7 ATOM 9802 H HE3 . LYS B 1 33 ? -15.035 2.236 -8.785 1.00 0.00 ? 33 LYS B HE3 7 ATOM 9803 H HZ1 . LYS B 1 33 ? -15.924 -0.291 -9.523 1.00 0.00 ? 33 LYS B HZ1 7 ATOM 9804 H HZ2 . LYS B 1 33 ? -14.805 0.184 -10.699 1.00 0.00 ? 33 LYS B HZ2 7 ATOM 9805 H HZ3 . LYS B 1 33 ? -14.360 0.162 -9.067 1.00 0.00 ? 33 LYS B HZ3 7 ATOM 9806 N N . LEU B 1 34 ? -17.869 0.812 -4.054 1.00 0.00 ? 34 LEU B N 7 ATOM 9807 C CA . LEU B 1 34 ? -18.608 -0.261 -3.402 1.00 0.00 ? 34 LEU B CA 7 ATOM 9808 C C . LEU B 1 34 ? -19.575 0.304 -2.367 1.00 0.00 ? 34 LEU B C 7 ATOM 9809 O O . LEU B 1 34 ? -20.654 -0.245 -2.145 1.00 0.00 ? 34 LEU B O 7 ATOM 9810 C CB . LEU B 1 34 ? -17.644 -1.243 -2.734 1.00 0.00 ? 34 LEU B CB 7 ATOM 9811 C CG . LEU B 1 34 ? -17.462 -2.571 -3.472 1.00 0.00 ? 34 LEU B CG 7 ATOM 9812 C CD1 . LEU B 1 34 ? -16.327 -3.374 -2.853 1.00 0.00 ? 34 LEU B CD1 7 ATOM 9813 C CD2 . LEU B 1 34 ? -18.755 -3.372 -3.453 1.00 0.00 ? 34 LEU B CD2 7 ATOM 9814 H H . LEU B 1 34 ? -16.925 0.951 -3.826 1.00 0.00 ? 34 LEU B H 7 ATOM 9815 H HA . LEU B 1 34 ? -19.174 -0.782 -4.159 1.00 0.00 ? 34 LEU B HA 7 ATOM 9816 H HB2 . LEU B 1 34 ? -16.679 -0.766 -2.650 1.00 0.00 ? 34 LEU B HB2 7 ATOM 9817 H HB3 . LEU B 1 34 ? -18.010 -1.456 -1.742 1.00 0.00 ? 34 LEU B HB3 7 ATOM 9818 H HG . LEU B 1 34 ? -17.206 -2.372 -4.502 1.00 0.00 ? 34 LEU B HG 7 ATOM 9819 H HD11 . LEU B 1 34 ? -15.478 -2.727 -2.688 1.00 0.00 ? 34 LEU B HD11 7 ATOM 9820 H HD12 . LEU B 1 34 ? -16.652 -3.789 -1.911 1.00 0.00 ? 34 LEU B HD12 7 ATOM 9821 H HD13 . LEU B 1 34 ? -16.046 -4.174 -3.522 1.00 0.00 ? 34 LEU B HD13 7 ATOM 9822 H HD21 . LEU B 1 34 ? -19.579 -2.732 -3.734 1.00 0.00 ? 34 LEU B HD21 7 ATOM 9823 H HD22 . LEU B 1 34 ? -18.681 -4.191 -4.154 1.00 0.00 ? 34 LEU B HD22 7 ATOM 9824 H HD23 . LEU B 1 34 ? -18.923 -3.761 -2.460 1.00 0.00 ? 34 LEU B HD23 7 ATOM 9825 N N . LYS B 1 35 ? -19.182 1.409 -1.739 1.00 0.00 ? 35 LYS B N 7 ATOM 9826 C CA . LYS B 1 35 ? -20.015 2.050 -0.730 1.00 0.00 ? 35 LYS B CA 7 ATOM 9827 C C . LYS B 1 35 ? -21.225 2.719 -1.374 1.00 0.00 ? 35 LYS B C 7 ATOM 9828 O O . LYS B 1 35 ? -22.333 2.663 -0.841 1.00 0.00 ? 35 LYS B O 7 ATOM 9829 C CB . LYS B 1 35 ? -19.202 3.082 0.054 1.00 0.00 ? 35 LYS B CB 7 ATOM 9830 C CG . LYS B 1 35 ? -19.256 2.880 1.560 1.00 0.00 ? 35 LYS B CG 7 ATOM 9831 C CD . LYS B 1 35 ? -18.492 3.969 2.296 1.00 0.00 ? 35 LYS B CD 7 ATOM 9832 C CE . LYS B 1 35 ? -17.655 3.396 3.426 1.00 0.00 ? 35 LYS B CE 7 ATOM 9833 N NZ . LYS B 1 35 ? -18.500 2.812 4.504 1.00 0.00 ? 35 LYS B NZ 7 ATOM 9834 H H . LYS B 1 35 ? -18.311 1.802 -1.961 1.00 0.00 ? 35 LYS B H 7 ATOM 9835 H HA . LYS B 1 35 ? -20.362 1.285 -0.052 1.00 0.00 ? 35 LYS B HA 7 ATOM 9836 H HB2 . LYS B 1 35 ? -18.170 3.023 -0.259 1.00 0.00 ? 35 LYS B HB2 7 ATOM 9837 H HB3 . LYS B 1 35 ? -19.582 4.068 -0.169 1.00 0.00 ? 35 LYS B HB3 7 ATOM 9838 H HG2 . LYS B 1 35 ? -20.287 2.898 1.879 1.00 0.00 ? 35 LYS B HG2 7 ATOM 9839 H HG3 . LYS B 1 35 ? -18.820 1.921 1.800 1.00 0.00 ? 35 LYS B HG3 7 ATOM 9840 H HD2 . LYS B 1 35 ? -17.839 4.473 1.597 1.00 0.00 ? 35 LYS B HD2 7 ATOM 9841 H HD3 . LYS B 1 35 ? -19.198 4.677 2.705 1.00 0.00 ? 35 LYS B HD3 7 ATOM 9842 H HE2 . LYS B 1 35 ? -17.014 2.625 3.028 1.00 0.00 ? 35 LYS B HE2 7 ATOM 9843 H HE3 . LYS B 1 35 ? -17.048 4.186 3.844 1.00 0.00 ? 35 LYS B HE3 7 ATOM 9844 H HZ1 . LYS B 1 35 ? -19.506 2.879 4.245 1.00 0.00 ? 35 LYS B HZ1 7 ATOM 9845 H HZ2 . LYS B 1 35 ? -18.257 1.812 4.648 1.00 0.00 ? 35 LYS B HZ2 7 ATOM 9846 H HZ3 . LYS B 1 35 ? -18.349 3.326 5.395 1.00 0.00 ? 35 LYS B HZ3 7 ATOM 9847 N N . GLN B 1 36 ? -21.006 3.351 -2.523 1.00 0.00 ? 36 GLN B N 7 ATOM 9848 C CA . GLN B 1 36 ? -22.082 4.027 -3.237 1.00 0.00 ? 36 GLN B CA 7 ATOM 9849 C C . GLN B 1 36 ? -22.980 3.015 -3.941 1.00 0.00 ? 36 GLN B C 7 ATOM 9850 O O . GLN B 1 36 ? -24.163 3.271 -4.165 1.00 0.00 ? 36 GLN B O 7 ATOM 9851 C CB . GLN B 1 36 ? -21.508 5.014 -4.256 1.00 0.00 ? 36 GLN B CB 7 ATOM 9852 C CG . GLN B 1 36 ? -22.569 5.710 -5.092 1.00 0.00 ? 36 GLN B CG 7 ATOM 9853 C CD . GLN B 1 36 ? -23.158 6.922 -4.396 1.00 0.00 ? 36 GLN B CD 7 ATOM 9854 O OE1 . GLN B 1 36 ? -22.888 7.169 -3.220 1.00 0.00 ? 36 GLN B OE1 7 ATOM 9855 N NE2 . GLN B 1 36 ? -23.969 7.684 -5.120 1.00 0.00 ? 36 GLN B NE2 7 ATOM 9856 H H . GLN B 1 36 ? -20.101 3.360 -2.900 1.00 0.00 ? 36 GLN B H 7 ATOM 9857 H HA . GLN B 1 36 ? -22.671 4.570 -2.513 1.00 0.00 ? 36 GLN B HA 7 ATOM 9858 H HB2 . GLN B 1 36 ? -20.942 5.769 -3.729 1.00 0.00 ? 36 GLN B HB2 7 ATOM 9859 H HB3 . GLN B 1 36 ? -20.846 4.482 -4.923 1.00 0.00 ? 36 GLN B HB3 7 ATOM 9860 H HG2 . GLN B 1 36 ? -22.124 6.031 -6.022 1.00 0.00 ? 36 GLN B HG2 7 ATOM 9861 H HG3 . GLN B 1 36 ? -23.365 5.009 -5.298 1.00 0.00 ? 36 GLN B HG3 7 ATOM 9862 H HE21 . GLN B 1 36 ? -24.139 7.427 -6.050 1.00 0.00 ? 36 GLN B HE21 7 ATOM 9863 H HE22 . GLN B 1 36 ? -24.363 8.474 -4.694 1.00 0.00 ? 36 GLN B HE22 7 ATOM 9864 N N . SER B 1 37 ? -22.410 1.866 -4.283 1.00 0.00 ? 37 SER B N 7 ATOM 9865 C CA . SER B 1 37 ? -23.158 0.813 -4.958 1.00 0.00 ? 37 SER B CA 7 ATOM 9866 C C . SER B 1 37 ? -24.033 0.051 -3.967 1.00 0.00 ? 37 SER B C 7 ATOM 9867 O O . SER B 1 37 ? -25.056 -0.522 -4.340 1.00 0.00 ? 37 SER B O 7 ATOM 9868 C CB . SER B 1 37 ? -22.202 -0.154 -5.660 1.00 0.00 ? 37 SER B CB 7 ATOM 9869 O OG . SER B 1 37 ? -22.153 0.100 -7.053 1.00 0.00 ? 37 SER B OG 7 ATOM 9870 H H . SER B 1 37 ? -21.463 1.720 -4.075 1.00 0.00 ? 37 SER B H 7 ATOM 9871 H HA . SER B 1 37 ? -23.793 1.278 -5.696 1.00 0.00 ? 37 SER B HA 7 ATOM 9872 H HB2 . SER B 1 37 ? -21.210 -0.035 -5.251 1.00 0.00 ? 37 SER B HB2 7 ATOM 9873 H HB3 . SER B 1 37 ? -22.538 -1.167 -5.502 1.00 0.00 ? 37 SER B HB3 7 ATOM 9874 H HG . SER B 1 37 ? -21.553 -0.522 -7.471 1.00 0.00 ? 37 SER B HG 7 ATOM 9875 N N . GLU B 1 38 ? -23.623 0.052 -2.702 1.00 0.00 ? 38 GLU B N 7 ATOM 9876 C CA . GLU B 1 38 ? -24.370 -0.637 -1.657 1.00 0.00 ? 38 GLU B CA 7 ATOM 9877 C C . GLU B 1 38 ? -25.639 0.129 -1.302 1.00 0.00 ? 38 GLU B C 7 ATOM 9878 O O . GLU B 1 38 ? -26.622 -0.455 -0.845 1.00 0.00 ? 38 GLU B O 7 ATOM 9879 C CB . GLU B 1 38 ? -23.501 -0.814 -0.410 1.00 0.00 ? 38 GLU B CB 7 ATOM 9880 C CG . GLU B 1 38 ? -23.902 -2.002 0.447 1.00 0.00 ? 38 GLU B CG 7 ATOM 9881 C CD . GLU B 1 38 ? -24.652 -1.591 1.699 1.00 0.00 ? 38 GLU B CD 7 ATOM 9882 O OE1 . GLU B 1 38 ? -24.071 -0.853 2.523 1.00 0.00 ? 38 GLU B OE1 7 ATOM 9883 O OE2 . GLU B 1 38 ? -25.819 -2.008 1.856 1.00 0.00 ? 38 GLU B OE2 7 ATOM 9884 H H . GLU B 1 38 ? -22.799 0.528 -2.466 1.00 0.00 ? 38 GLU B H 7 ATOM 9885 H HA . GLU B 1 38 ? -24.645 -1.611 -2.034 1.00 0.00 ? 38 GLU B HA 7 ATOM 9886 H HB2 . GLU B 1 38 ? -22.475 -0.948 -0.718 1.00 0.00 ? 38 GLU B HB2 7 ATOM 9887 H HB3 . GLU B 1 38 ? -23.573 0.079 0.193 1.00 0.00 ? 38 GLU B HB3 7 ATOM 9888 H HG2 . GLU B 1 38 ? -24.537 -2.653 -0.136 1.00 0.00 ? 38 GLU B HG2 7 ATOM 9889 H HG3 . GLU B 1 38 ? -23.010 -2.537 0.738 1.00 0.00 ? 38 GLU B HG3 7 ATOM 9890 N N . ASP B 1 39 ? -25.612 1.441 -1.515 1.00 0.00 ? 39 ASP B N 7 ATOM 9891 C CA . ASP B 1 39 ? -26.761 2.288 -1.218 1.00 0.00 ? 39 ASP B CA 7 ATOM 9892 C C . ASP B 1 39 ? -27.897 2.029 -2.202 1.00 0.00 ? 39 ASP B C 7 ATOM 9893 O O . ASP B 1 39 ? -29.068 2.226 -1.879 1.00 0.00 ? 39 ASP B O 7 ATOM 9894 C CB . ASP B 1 39 ? -26.359 3.764 -1.260 1.00 0.00 ? 39 ASP B CB 7 ATOM 9895 C CG . ASP B 1 39 ? -26.177 4.353 0.124 1.00 0.00 ? 39 ASP B CG 7 ATOM 9896 O OD1 . ASP B 1 39 ? -26.801 3.838 1.076 1.00 0.00 ? 39 ASP B OD1 7 ATOM 9897 O OD2 . ASP B 1 39 ? -25.411 5.331 0.256 1.00 0.00 ? 39 ASP B OD2 7 ATOM 9898 H H . ASP B 1 39 ? -24.800 1.850 -1.881 1.00 0.00 ? 39 ASP B H 7 ATOM 9899 H HA . ASP B 1 39 ? -27.102 2.045 -0.222 1.00 0.00 ? 39 ASP B HA 7 ATOM 9900 H HB2 . ASP B 1 39 ? -25.428 3.861 -1.798 1.00 0.00 ? 39 ASP B HB2 7 ATOM 9901 H HB3 . ASP B 1 39 ? -27.127 4.324 -1.773 1.00 0.00 ? 39 ASP B HB3 7 ATOM 9902 N N . ASP B 1 40 ? -27.542 1.587 -3.404 1.00 0.00 ? 40 ASP B N 7 ATOM 9903 C CA . ASP B 1 40 ? -28.531 1.301 -4.437 1.00 0.00 ? 40 ASP B CA 7 ATOM 9904 C C . ASP B 1 40 ? -29.354 2.543 -4.761 1.00 0.00 ? 40 ASP B C 7 ATOM 9905 O O . ASP B 1 40 ? -29.465 3.457 -3.944 1.00 0.00 ? 40 ASP B O 7 ATOM 9906 C CB . ASP B 1 40 ? -29.454 0.166 -3.988 1.00 0.00 ? 40 ASP B CB 7 ATOM 9907 C CG . ASP B 1 40 ? -29.021 -1.182 -4.530 1.00 0.00 ? 40 ASP B CG 7 ATOM 9908 O OD1 . ASP B 1 40 ? -27.798 -1.429 -4.597 1.00 0.00 ? 40 ASP B OD1 7 ATOM 9909 O OD2 . ASP B 1 40 ? -29.904 -1.989 -4.885 1.00 0.00 ? 40 ASP B OD2 7 ATOM 9910 H H . ASP B 1 40 ? -26.592 1.449 -3.602 1.00 0.00 ? 40 ASP B H 7 ATOM 9911 H HA . ASP B 1 40 ? -28.003 0.992 -5.325 1.00 0.00 ? 40 ASP B HA 7 ATOM 9912 H HB2 . ASP B 1 40 ? -29.455 0.116 -2.909 1.00 0.00 ? 40 ASP B HB2 7 ATOM 9913 H HB3 . ASP B 1 40 ? -30.457 0.369 -4.335 1.00 0.00 ? 40 ASP B HB3 7 ATOM 9914 N N . ASP B 1 41 ? -29.929 2.571 -5.958 1.00 0.00 ? 41 ASP B N 7 ATOM 9915 C CA . ASP B 1 41 ? -30.742 3.701 -6.392 1.00 0.00 ? 41 ASP B CA 7 ATOM 9916 C C . ASP B 1 41 ? -30.001 5.017 -6.177 1.00 0.00 ? 41 ASP B C 7 ATOM 9917 O O . ASP B 1 41 ? -28.780 4.974 -5.921 1.00 0.00 ? 41 ASP B O 7 ATOM 9918 C CB . ASP B 1 41 ? -32.071 3.720 -5.634 1.00 0.00 ? 41 ASP B CB 7 ATOM 9919 C CG . ASP B 1 41 ? -32.708 2.347 -5.549 1.00 0.00 ? 41 ASP B CG 7 ATOM 9920 O OD1 . ASP B 1 41 ? -33.123 1.820 -6.602 1.00 0.00 ? 41 ASP B OD1 7 ATOM 9921 O OD2 . ASP B 1 41 ? -32.792 1.800 -4.430 1.00 0.00 ? 41 ASP B OD2 7 ATOM 9922 O OXT . ASP B 1 41 ? -30.649 6.081 -6.270 1.00 0.00 ? 41 ASP B OXT 7 ATOM 9923 H H . ASP B 1 41 ? -29.803 1.812 -6.566 1.00 0.00 ? 41 ASP B H 7 ATOM 9924 H HA . ASP B 1 41 ? -30.941 3.582 -7.446 1.00 0.00 ? 41 ASP B HA 7 ATOM 9925 H HB2 . ASP B 1 41 ? -31.900 4.080 -4.630 1.00 0.00 ? 41 ASP B HB2 7 ATOM 9926 H HB3 . ASP B 1 41 ? -32.756 4.385 -6.139 1.00 0.00 ? 41 ASP B HB3 7 ATOM 9927 N N . ALA A 1 1 ? -29.020 -14.914 -0.488 1.00 0.00 ? 1 ALA A N 8 ATOM 9928 C CA . ALA A 1 1 ? -27.890 -13.997 -0.792 1.00 0.00 ? 1 ALA A CA 8 ATOM 9929 C C . ALA A 1 1 ? -28.325 -12.539 -0.683 1.00 0.00 ? 1 ALA A C 8 ATOM 9930 O O . ALA A 1 1 ? -28.473 -11.848 -1.690 1.00 0.00 ? 1 ALA A O 8 ATOM 9931 C CB . ALA A 1 1 ? -27.342 -14.281 -2.183 1.00 0.00 ? 1 ALA A CB 8 ATOM 9932 H H1 . ALA A 1 1 ? -29.455 -14.594 0.401 1.00 0.00 ? 1 ALA A H1 8 ATOM 9933 H H2 . ALA A 1 1 ? -29.694 -14.860 -1.277 1.00 0.00 ? 1 ALA A H2 8 ATOM 9934 H H3 . ALA A 1 1 ? -28.633 -15.874 -0.393 1.00 0.00 ? 1 ALA A H3 8 ATOM 9935 H HA . ALA A 1 1 ? -27.102 -14.181 -0.078 1.00 0.00 ? 1 ALA A HA 8 ATOM 9936 H HB1 . ALA A 1 1 ? -27.619 -15.281 -2.481 1.00 0.00 ? 1 ALA A HB1 8 ATOM 9937 H HB2 . ALA A 1 1 ? -27.752 -13.569 -2.884 1.00 0.00 ? 1 ALA A HB2 8 ATOM 9938 H HB3 . ALA A 1 1 ? -26.266 -14.193 -2.170 1.00 0.00 ? 1 ALA A HB3 8 ATOM 9939 N N . LEU A 1 2 ? -28.525 -12.079 0.547 1.00 0.00 ? 2 LEU A N 8 ATOM 9940 C CA . LEU A 1 2 ? -28.942 -10.703 0.791 1.00 0.00 ? 2 LEU A CA 8 ATOM 9941 C C . LEU A 1 2 ? -27.870 -9.721 0.328 1.00 0.00 ? 2 LEU A C 8 ATOM 9942 O O . LEU A 1 2 ? -26.819 -10.122 -0.170 1.00 0.00 ? 2 LEU A O 8 ATOM 9943 C CB . LEU A 1 2 ? -29.237 -10.493 2.276 1.00 0.00 ? 2 LEU A CB 8 ATOM 9944 C CG . LEU A 1 2 ? -29.863 -11.693 2.988 1.00 0.00 ? 2 LEU A CG 8 ATOM 9945 C CD1 . LEU A 1 2 ? -28.834 -12.391 3.862 1.00 0.00 ? 2 LEU A CD1 8 ATOM 9946 C CD2 . LEU A 1 2 ? -31.061 -11.255 3.818 1.00 0.00 ? 2 LEU A CD2 8 ATOM 9947 H H . LEU A 1 2 ? -28.390 -12.679 1.310 1.00 0.00 ? 2 LEU A H 8 ATOM 9948 H HA . LEU A 1 2 ? -29.844 -10.525 0.224 1.00 0.00 ? 2 LEU A HA 8 ATOM 9949 H HB2 . LEU A 1 2 ? -28.311 -10.246 2.775 1.00 0.00 ? 2 LEU A HB2 8 ATOM 9950 H HB3 . LEU A 1 2 ? -29.911 -9.654 2.373 1.00 0.00 ? 2 LEU A HB3 8 ATOM 9951 H HG . LEU A 1 2 ? -30.209 -12.402 2.249 1.00 0.00 ? 2 LEU A HG 8 ATOM 9952 H HD11 . LEU A 1 2 ? -28.137 -11.663 4.249 1.00 0.00 ? 2 LEU A HD11 8 ATOM 9953 H HD12 . LEU A 1 2 ? -29.333 -12.884 4.684 1.00 0.00 ? 2 LEU A HD12 8 ATOM 9954 H HD13 . LEU A 1 2 ? -28.299 -13.123 3.275 1.00 0.00 ? 2 LEU A HD13 8 ATOM 9955 H HD21 . LEU A 1 2 ? -30.795 -10.386 4.402 1.00 0.00 ? 2 LEU A HD21 8 ATOM 9956 H HD22 . LEU A 1 2 ? -31.883 -11.009 3.161 1.00 0.00 ? 2 LEU A HD22 8 ATOM 9957 H HD23 . LEU A 1 2 ? -31.354 -12.057 4.478 1.00 0.00 ? 2 LEU A HD23 8 ATOM 9958 N N . LYS A 1 3 ? -28.143 -8.431 0.499 1.00 0.00 ? 3 LYS A N 8 ATOM 9959 C CA . LYS A 1 3 ? -27.202 -7.391 0.100 1.00 0.00 ? 3 LYS A CA 8 ATOM 9960 C C . LYS A 1 3 ? -26.335 -6.959 1.278 1.00 0.00 ? 3 LYS A C 8 ATOM 9961 O O . LYS A 1 3 ? -25.822 -5.840 1.306 1.00 0.00 ? 3 LYS A O 8 ATOM 9962 C CB . LYS A 1 3 ? -27.953 -6.184 -0.466 1.00 0.00 ? 3 LYS A CB 8 ATOM 9963 C CG . LYS A 1 3 ? -27.650 -5.910 -1.929 1.00 0.00 ? 3 LYS A CG 8 ATOM 9964 C CD . LYS A 1 3 ? -27.755 -7.174 -2.766 1.00 0.00 ? 3 LYS A CD 8 ATOM 9965 C CE . LYS A 1 3 ? -28.062 -6.856 -4.221 1.00 0.00 ? 3 LYS A CE 8 ATOM 9966 N NZ . LYS A 1 3 ? -26.887 -7.099 -5.103 1.00 0.00 ? 3 LYS A NZ 8 ATOM 9967 H H . LYS A 1 3 ? -28.998 -8.173 0.902 1.00 0.00 ? 3 LYS A H 8 ATOM 9968 H HA . LYS A 1 3 ? -26.564 -7.799 -0.670 1.00 0.00 ? 3 LYS A HA 8 ATOM 9969 H HB2 . LYS A 1 3 ? -29.015 -6.356 -0.367 1.00 0.00 ? 3 LYS A HB2 8 ATOM 9970 H HB3 . LYS A 1 3 ? -27.685 -5.307 0.105 1.00 0.00 ? 3 LYS A HB3 8 ATOM 9971 H HG2 . LYS A 1 3 ? -28.356 -5.184 -2.304 1.00 0.00 ? 3 LYS A HG2 8 ATOM 9972 H HG3 . LYS A 1 3 ? -26.647 -5.516 -2.012 1.00 0.00 ? 3 LYS A HG3 8 ATOM 9973 H HD2 . LYS A 1 3 ? -26.817 -7.707 -2.716 1.00 0.00 ? 3 LYS A HD2 8 ATOM 9974 H HD3 . LYS A 1 3 ? -28.545 -7.794 -2.368 1.00 0.00 ? 3 LYS A HD3 8 ATOM 9975 H HE2 . LYS A 1 3 ? -28.881 -7.480 -4.548 1.00 0.00 ? 3 LYS A HE2 8 ATOM 9976 H HE3 . LYS A 1 3 ? -28.349 -5.817 -4.295 1.00 0.00 ? 3 LYS A HE3 8 ATOM 9977 H HZ1 . LYS A 1 3 ? -26.433 -8.001 -4.855 1.00 0.00 ? 3 LYS A HZ1 8 ATOM 9978 H HZ2 . LYS A 1 3 ? -27.188 -7.137 -6.097 1.00 0.00 ? 3 LYS A HZ2 8 ATOM 9979 H HZ3 . LYS A 1 3 ? -26.193 -6.332 -4.992 1.00 0.00 ? 3 LYS A HZ3 8 ATOM 9980 N N . LYS A 1 4 ? -26.174 -7.853 2.249 1.00 0.00 ? 4 LYS A N 8 ATOM 9981 C CA . LYS A 1 4 ? -25.369 -7.562 3.429 1.00 0.00 ? 4 LYS A CA 8 ATOM 9982 C C . LYS A 1 4 ? -23.885 -7.762 3.136 1.00 0.00 ? 4 LYS A C 8 ATOM 9983 O O . LYS A 1 4 ? -23.036 -7.048 3.668 1.00 0.00 ? 4 LYS A O 8 ATOM 9984 C CB . LYS A 1 4 ? -25.794 -8.456 4.596 1.00 0.00 ? 4 LYS A CB 8 ATOM 9985 C CG . LYS A 1 4 ? -24.989 -8.226 5.864 1.00 0.00 ? 4 LYS A CG 8 ATOM 9986 C CD . LYS A 1 4 ? -23.870 -9.245 6.005 1.00 0.00 ? 4 LYS A CD 8 ATOM 9987 C CE . LYS A 1 4 ? -24.362 -10.525 6.661 1.00 0.00 ? 4 LYS A CE 8 ATOM 9988 N NZ . LYS A 1 4 ? -23.256 -11.498 6.877 1.00 0.00 ? 4 LYS A NZ 8 ATOM 9989 H H . LYS A 1 4 ? -26.608 -8.728 2.169 1.00 0.00 ? 4 LYS A H 8 ATOM 9990 H HA . LYS A 1 4 ? -25.535 -6.531 3.697 1.00 0.00 ? 4 LYS A HA 8 ATOM 9991 H HB2 . LYS A 1 4 ? -26.835 -8.267 4.816 1.00 0.00 ? 4 LYS A HB2 8 ATOM 9992 H HB3 . LYS A 1 4 ? -25.678 -9.489 4.303 1.00 0.00 ? 4 LYS A HB3 8 ATOM 9993 H HG2 . LYS A 1 4 ? -24.559 -7.236 5.830 1.00 0.00 ? 4 LYS A HG2 8 ATOM 9994 H HG3 . LYS A 1 4 ? -25.648 -8.306 6.716 1.00 0.00 ? 4 LYS A HG3 8 ATOM 9995 H HD2 . LYS A 1 4 ? -23.484 -9.480 5.025 1.00 0.00 ? 4 LYS A HD2 8 ATOM 9996 H HD3 . LYS A 1 4 ? -23.083 -8.819 6.611 1.00 0.00 ? 4 LYS A HD3 8 ATOM 9997 H HE2 . LYS A 1 4 ? -24.806 -10.279 7.614 1.00 0.00 ? 4 LYS A HE2 8 ATOM 9998 H HE3 . LYS A 1 4 ? -25.108 -10.976 6.023 1.00 0.00 ? 4 LYS A HE3 8 ATOM 9999 H HZ1 . LYS A 1 4 ? -22.421 -11.219 6.326 1.00 0.00 ? 4 LYS A HZ1 8 ATOM 10000 H HZ2 . LYS A 1 4 ? -23.000 -11.529 7.885 1.00 0.00 ? 4 LYS A HZ2 8 ATOM 10001 H HZ3 . LYS A 1 4 ? -23.554 -12.449 6.579 1.00 0.00 ? 4 LYS A HZ3 8 ATOM 10002 N N . HIS A 1 5 ? -23.580 -8.737 2.285 1.00 0.00 ? 5 HIS A N 8 ATOM 10003 C CA . HIS A 1 5 ? -22.199 -9.029 1.921 1.00 0.00 ? 5 HIS A CA 8 ATOM 10004 C C . HIS A 1 5 ? -21.475 -7.764 1.471 1.00 0.00 ? 5 HIS A C 8 ATOM 10005 O O . HIS A 1 5 ? -20.250 -7.676 1.554 1.00 0.00 ? 5 HIS A O 8 ATOM 10006 C CB . HIS A 1 5 ? -22.155 -10.079 0.809 1.00 0.00 ? 5 HIS A CB 8 ATOM 10007 C CG . HIS A 1 5 ? -23.067 -9.775 -0.339 1.00 0.00 ? 5 HIS A CG 8 ATOM 10008 N ND1 . HIS A 1 5 ? -24.026 -10.657 -0.794 1.00 0.00 ? 5 HIS A ND1 8 ATOM 10009 C CD2 . HIS A 1 5 ? -23.166 -8.677 -1.125 1.00 0.00 ? 5 HIS A CD2 8 ATOM 10010 C CE1 . HIS A 1 5 ? -24.672 -10.116 -1.810 1.00 0.00 ? 5 HIS A CE1 8 ATOM 10011 N NE2 . HIS A 1 5 ? -24.171 -8.915 -2.031 1.00 0.00 ? 5 HIS A NE2 8 ATOM 10012 H H . HIS A 1 5 ? -24.302 -9.271 1.893 1.00 0.00 ? 5 HIS A H 8 ATOM 10013 H HA . HIS A 1 5 ? -21.703 -9.423 2.794 1.00 0.00 ? 5 HIS A HA 8 ATOM 10014 H HB2 . HIS A 1 5 ? -21.148 -10.143 0.423 1.00 0.00 ? 5 HIS A HB2 8 ATOM 10015 H HB3 . HIS A 1 5 ? -22.441 -11.037 1.217 1.00 0.00 ? 5 HIS A HB3 8 ATOM 10016 H HD1 . HIS A 1 5 ? -24.204 -11.548 -0.426 1.00 0.00 ? 5 HIS A HD1 8 ATOM 10017 H HD2 . HIS A 1 5 ? -22.566 -7.781 -1.054 1.00 0.00 ? 5 HIS A HD2 8 ATOM 10018 H HE1 . HIS A 1 5 ? -25.476 -10.577 -2.367 1.00 0.00 ? 5 HIS A HE1 8 ATOM 10019 H HE2 . HIS A 1 5 ? -24.469 -8.295 -2.729 1.00 0.00 ? 5 HIS A HE2 8 ATOM 10020 N N . HIS A 1 6 ? -22.239 -6.787 0.995 1.00 0.00 ? 6 HIS A N 8 ATOM 10021 C CA . HIS A 1 6 ? -21.667 -5.528 0.532 1.00 0.00 ? 6 HIS A CA 8 ATOM 10022 C C . HIS A 1 6 ? -21.018 -4.771 1.686 1.00 0.00 ? 6 HIS A C 8 ATOM 10023 O O . HIS A 1 6 ? -19.884 -4.304 1.574 1.00 0.00 ? 6 HIS A O 8 ATOM 10024 C CB . HIS A 1 6 ? -22.744 -4.661 -0.120 1.00 0.00 ? 6 HIS A CB 8 ATOM 10025 C CG . HIS A 1 6 ? -22.671 -4.640 -1.616 1.00 0.00 ? 6 HIS A CG 8 ATOM 10026 N ND1 . HIS A 1 6 ? -22.001 -5.596 -2.351 1.00 0.00 ? 6 HIS A ND1 8 ATOM 10027 C CD2 . HIS A 1 6 ? -23.188 -3.770 -2.516 1.00 0.00 ? 6 HIS A CD2 8 ATOM 10028 C CE1 . HIS A 1 6 ? -22.109 -5.315 -3.638 1.00 0.00 ? 6 HIS A CE1 8 ATOM 10029 N NE2 . HIS A 1 6 ? -22.824 -4.213 -3.764 1.00 0.00 ? 6 HIS A NE2 8 ATOM 10030 H H . HIS A 1 6 ? -23.209 -6.915 0.952 1.00 0.00 ? 6 HIS A H 8 ATOM 10031 H HA . HIS A 1 6 ? -20.908 -5.759 -0.201 1.00 0.00 ? 6 HIS A HA 8 ATOM 10032 H HB2 . HIS A 1 6 ? -23.718 -5.038 0.158 1.00 0.00 ? 6 HIS A HB2 8 ATOM 10033 H HB3 . HIS A 1 6 ? -22.643 -3.646 0.233 1.00 0.00 ? 6 HIS A HB3 8 ATOM 10034 H HD1 . HIS A 1 6 ? -21.519 -6.366 -1.984 1.00 0.00 ? 6 HIS A HD1 8 ATOM 10035 H HD2 . HIS A 1 6 ? -23.776 -2.890 -2.294 1.00 0.00 ? 6 HIS A HD2 8 ATOM 10036 H HE1 . HIS A 1 6 ? -21.685 -5.890 -4.448 1.00 0.00 ? 6 HIS A HE1 8 ATOM 10037 H HE2 . HIS A 1 6 ? -23.055 -3.781 -4.613 1.00 0.00 ? 6 HIS A HE2 8 ATOM 10038 N N . GLU A 1 7 ? -21.742 -4.653 2.795 1.00 0.00 ? 7 GLU A N 8 ATOM 10039 C CA . GLU A 1 7 ? -21.230 -3.955 3.968 1.00 0.00 ? 7 GLU A CA 8 ATOM 10040 C C . GLU A 1 7 ? -19.912 -4.567 4.425 1.00 0.00 ? 7 GLU A C 8 ATOM 10041 O O . GLU A 1 7 ? -19.081 -3.893 5.037 1.00 0.00 ? 7 GLU A O 8 ATOM 10042 C CB . GLU A 1 7 ? -22.253 -4.003 5.104 1.00 0.00 ? 7 GLU A CB 8 ATOM 10043 C CG . GLU A 1 7 ? -22.135 -2.843 6.078 1.00 0.00 ? 7 GLU A CG 8 ATOM 10044 C CD . GLU A 1 7 ? -22.690 -3.175 7.450 1.00 0.00 ? 7 GLU A CD 8 ATOM 10045 O OE1 . GLU A 1 7 ? -23.541 -4.085 7.542 1.00 0.00 ? 7 GLU A OE1 8 ATOM 10046 O OE2 . GLU A 1 7 ? -22.273 -2.526 8.432 1.00 0.00 ? 7 GLU A OE2 8 ATOM 10047 H H . GLU A 1 7 ? -22.639 -5.048 2.825 1.00 0.00 ? 7 GLU A H 8 ATOM 10048 H HA . GLU A 1 7 ? -21.059 -2.926 3.691 1.00 0.00 ? 7 GLU A HA 8 ATOM 10049 H HB2 . GLU A 1 7 ? -23.246 -3.989 4.680 1.00 0.00 ? 7 GLU A HB2 8 ATOM 10050 H HB3 . GLU A 1 7 ? -22.120 -4.922 5.654 1.00 0.00 ? 7 GLU A HB3 8 ATOM 10051 H HG2 . GLU A 1 7 ? -21.093 -2.582 6.183 1.00 0.00 ? 7 GLU A HG2 8 ATOM 10052 H HG3 . GLU A 1 7 ? -22.679 -1.998 5.681 1.00 0.00 ? 7 GLU A HG3 8 ATOM 10053 N N . ASN A 1 8 ? -19.723 -5.845 4.118 1.00 0.00 ? 8 ASN A N 8 ATOM 10054 C CA . ASN A 1 8 ? -18.501 -6.547 4.491 1.00 0.00 ? 8 ASN A CA 8 ATOM 10055 C C . ASN A 1 8 ? -17.331 -6.047 3.655 1.00 0.00 ? 8 ASN A C 8 ATOM 10056 O O . ASN A 1 8 ? -16.347 -5.535 4.190 1.00 0.00 ? 8 ASN A O 8 ATOM 10057 C CB . ASN A 1 8 ? -18.672 -8.055 4.309 1.00 0.00 ? 8 ASN A CB 8 ATOM 10058 C CG . ASN A 1 8 ? -19.361 -8.707 5.492 1.00 0.00 ? 8 ASN A CG 8 ATOM 10059 O OD1 . ASN A 1 8 ? -20.083 -8.051 6.243 1.00 0.00 ? 8 ASN A OD1 8 ATOM 10060 N ND2 . ASN A 1 8 ? -19.140 -10.005 5.664 1.00 0.00 ? 8 ASN A ND2 8 ATOM 10061 H H . ASN A 1 8 ? -20.419 -6.324 3.623 1.00 0.00 ? 8 ASN A H 8 ATOM 10062 H HA . ASN A 1 8 ? -18.302 -6.335 5.531 1.00 0.00 ? 8 ASN A HA 8 ATOM 10063 H HB2 . ASN A 1 8 ? -19.265 -8.240 3.425 1.00 0.00 ? 8 ASN A HB2 8 ATOM 10064 H HB3 . ASN A 1 8 ? -17.700 -8.509 4.187 1.00 0.00 ? 8 ASN A HB3 8 ATOM 10065 H HD21 . ASN A 1 8 ? -18.554 -10.463 5.026 1.00 0.00 ? 8 ASN A HD21 8 ATOM 10066 H HD22 . ASN A 1 8 ? -19.573 -10.451 6.421 1.00 0.00 ? 8 ASN A HD22 8 ATOM 10067 N N . GLU A 1 9 ? -17.450 -6.183 2.339 1.00 0.00 ? 9 GLU A N 8 ATOM 10068 C CA . GLU A 1 9 ? -16.406 -5.728 1.434 1.00 0.00 ? 9 GLU A CA 8 ATOM 10069 C C . GLU A 1 9 ? -16.123 -4.244 1.654 1.00 0.00 ? 9 GLU A C 8 ATOM 10070 O O . GLU A 1 9 ? -15.052 -3.749 1.306 1.00 0.00 ? 9 GLU A O 8 ATOM 10071 C CB . GLU A 1 9 ? -16.816 -5.973 -0.020 1.00 0.00 ? 9 GLU A CB 8 ATOM 10072 C CG . GLU A 1 9 ? -15.935 -6.981 -0.738 1.00 0.00 ? 9 GLU A CG 8 ATOM 10073 C CD . GLU A 1 9 ? -16.168 -6.995 -2.237 1.00 0.00 ? 9 GLU A CD 8 ATOM 10074 O OE1 . GLU A 1 9 ? -17.049 -6.245 -2.708 1.00 0.00 ? 9 GLU A OE1 8 ATOM 10075 O OE2 . GLU A 1 9 ? -15.469 -7.756 -2.939 1.00 0.00 ? 9 GLU A OE2 8 ATOM 10076 H H . GLU A 1 9 ? -18.264 -6.588 1.970 1.00 0.00 ? 9 GLU A H 8 ATOM 10077 H HA . GLU A 1 9 ? -15.510 -6.290 1.648 1.00 0.00 ? 9 GLU A HA 8 ATOM 10078 H HB2 . GLU A 1 9 ? -17.833 -6.338 -0.038 1.00 0.00 ? 9 GLU A HB2 8 ATOM 10079 H HB3 . GLU A 1 9 ? -16.770 -5.038 -0.557 1.00 0.00 ? 9 GLU A HB3 8 ATOM 10080 H HG2 . GLU A 1 9 ? -14.901 -6.733 -0.553 1.00 0.00 ? 9 GLU A HG2 8 ATOM 10081 H HG3 . GLU A 1 9 ? -16.144 -7.966 -0.347 1.00 0.00 ? 9 GLU A HG3 8 ATOM 10082 N N . ILE A 1 10 ? -17.093 -3.540 2.236 1.00 0.00 ? 10 ILE A N 8 ATOM 10083 C CA . ILE A 1 10 ? -16.957 -2.118 2.507 1.00 0.00 ? 10 ILE A CA 8 ATOM 10084 C C . ILE A 1 10 ? -15.942 -1.875 3.631 1.00 0.00 ? 10 ILE A C 8 ATOM 10085 O O . ILE A 1 10 ? -15.015 -1.077 3.486 1.00 0.00 ? 10 ILE A O 8 ATOM 10086 C CB . ILE A 1 10 ? -18.357 -1.492 2.831 1.00 0.00 ? 10 ILE A CB 8 ATOM 10087 C CG1 . ILE A 1 10 ? -18.661 -0.351 1.863 1.00 0.00 ? 10 ILE A CG1 8 ATOM 10088 C CG2 . ILE A 1 10 ? -18.496 -1.006 4.277 1.00 0.00 ? 10 ILE A CG2 8 ATOM 10089 C CD1 . ILE A 1 10 ? -19.978 -0.520 1.139 1.00 0.00 ? 10 ILE A CD1 8 ATOM 10090 H H . ILE A 1 10 ? -17.925 -3.991 2.489 1.00 0.00 ? 10 ILE A H 8 ATOM 10091 H HA . ILE A 1 10 ? -16.583 -1.651 1.605 1.00 0.00 ? 10 ILE A HA 8 ATOM 10092 H HB . ILE A 1 10 ? -19.095 -2.264 2.683 1.00 0.00 ? 10 ILE A HB 8 ATOM 10093 H HG12 . ILE A 1 10 ? -18.701 0.578 2.411 1.00 0.00 ? 10 ILE A HG12 8 ATOM 10094 H HG13 . ILE A 1 10 ? -17.878 -0.294 1.123 1.00 0.00 ? 10 ILE A HG13 8 ATOM 10095 H HG21 . ILE A 1 10 ? -18.268 -1.815 4.954 1.00 0.00 ? 10 ILE A HG21 8 ATOM 10096 H HG22 . ILE A 1 10 ? -17.813 -0.189 4.450 1.00 0.00 ? 10 ILE A HG22 8 ATOM 10097 H HG23 . ILE A 1 10 ? -19.507 -0.672 4.448 1.00 0.00 ? 10 ILE A HG23 8 ATOM 10098 H HD11 . ILE A 1 10 ? -20.266 -1.562 1.154 1.00 0.00 ? 10 ILE A HD11 8 ATOM 10099 H HD12 . ILE A 1 10 ? -20.737 0.071 1.630 1.00 0.00 ? 10 ILE A HD12 8 ATOM 10100 H HD13 . ILE A 1 10 ? -19.872 -0.190 0.116 1.00 0.00 ? 10 ILE A HD13 8 ATOM 10101 N N . SER A 1 11 ? -16.132 -2.570 4.747 1.00 0.00 ? 11 SER A N 8 ATOM 10102 C CA . SER A 1 11 ? -15.244 -2.433 5.895 1.00 0.00 ? 11 SER A CA 8 ATOM 10103 C C . SER A 1 11 ? -13.847 -2.953 5.575 1.00 0.00 ? 11 SER A C 8 ATOM 10104 O O . SER A 1 11 ? -12.873 -2.579 6.229 1.00 0.00 ? 11 SER A O 8 ATOM 10105 C CB . SER A 1 11 ? -15.815 -3.182 7.099 1.00 0.00 ? 11 SER A CB 8 ATOM 10106 O OG . SER A 1 11 ? -15.545 -4.571 7.011 1.00 0.00 ? 11 SER A OG 8 ATOM 10107 H H . SER A 1 11 ? -16.891 -3.190 4.802 1.00 0.00 ? 11 SER A H 8 ATOM 10108 H HA . SER A 1 11 ? -15.177 -1.383 6.137 1.00 0.00 ? 11 SER A HA 8 ATOM 10109 H HB2 . SER A 1 11 ? -15.369 -2.799 8.004 1.00 0.00 ? 11 SER A HB2 8 ATOM 10110 H HB3 . SER A 1 11 ? -16.885 -3.037 7.137 1.00 0.00 ? 11 SER A HB3 8 ATOM 10111 H HG . SER A 1 11 ? -16.145 -5.051 7.588 1.00 0.00 ? 11 SER A HG 8 ATOM 10112 N N . HIS A 1 12 ? -13.750 -3.819 4.570 1.00 0.00 ? 12 HIS A N 8 ATOM 10113 C CA . HIS A 1 12 ? -12.469 -4.384 4.180 1.00 0.00 ? 12 HIS A CA 8 ATOM 10114 C C . HIS A 1 12 ? -11.691 -3.398 3.300 1.00 0.00 ? 12 HIS A C 8 ATOM 10115 O O . HIS A 1 12 ? -10.477 -3.260 3.443 1.00 0.00 ? 12 HIS A O 8 ATOM 10116 C CB . HIS A 1 12 ? -12.691 -5.753 3.495 1.00 0.00 ? 12 HIS A CB 8 ATOM 10117 C CG . HIS A 1 12 ? -11.990 -5.955 2.181 1.00 0.00 ? 12 HIS A CG 8 ATOM 10118 N ND1 . HIS A 1 12 ? -10.625 -6.112 2.067 1.00 0.00 ? 12 HIS A ND1 8 ATOM 10119 C CD2 . HIS A 1 12 ? -12.482 -6.026 0.924 1.00 0.00 ? 12 HIS A CD2 8 ATOM 10120 C CE1 . HIS A 1 12 ? -10.308 -6.270 0.794 1.00 0.00 ? 12 HIS A CE1 8 ATOM 10121 N NE2 . HIS A 1 12 ? -11.417 -6.222 0.081 1.00 0.00 ? 12 HIS A NE2 8 ATOM 10122 H H . HIS A 1 12 ? -14.559 -4.085 4.083 1.00 0.00 ? 12 HIS A H 8 ATOM 10123 H HA . HIS A 1 12 ? -11.901 -4.540 5.085 1.00 0.00 ? 12 HIS A HA 8 ATOM 10124 H HB2 . HIS A 1 12 ? -12.350 -6.530 4.161 1.00 0.00 ? 12 HIS A HB2 8 ATOM 10125 H HB3 . HIS A 1 12 ? -13.751 -5.884 3.325 1.00 0.00 ? 12 HIS A HB3 8 ATOM 10126 H HD1 . HIS A 1 12 ? -9.984 -6.108 2.808 1.00 0.00 ? 12 HIS A HD1 8 ATOM 10127 H HD2 . HIS A 1 12 ? -13.522 -5.940 0.640 1.00 0.00 ? 12 HIS A HD2 8 ATOM 10128 H HE1 . HIS A 1 12 ? -9.311 -6.414 0.404 1.00 0.00 ? 12 HIS A HE1 8 ATOM 10129 H HE2 . HIS A 1 12 ? -11.469 -6.313 -0.894 1.00 0.00 ? 12 HIS A HE2 8 ATOM 10130 N N . HIS A 1 13 ? -12.392 -2.705 2.404 1.00 0.00 ? 13 HIS A N 8 ATOM 10131 C CA . HIS A 1 13 ? -11.740 -1.733 1.535 1.00 0.00 ? 13 HIS A CA 8 ATOM 10132 C C . HIS A 1 13 ? -11.307 -0.511 2.338 1.00 0.00 ? 13 HIS A C 8 ATOM 10133 O O . HIS A 1 13 ? -10.389 0.204 1.946 1.00 0.00 ? 13 HIS A O 8 ATOM 10134 C CB . HIS A 1 13 ? -12.664 -1.285 0.404 1.00 0.00 ? 13 HIS A CB 8 ATOM 10135 C CG . HIS A 1 13 ? -13.322 -2.399 -0.342 1.00 0.00 ? 13 HIS A CG 8 ATOM 10136 N ND1 . HIS A 1 13 ? -12.746 -3.638 -0.529 1.00 0.00 ? 13 HIS A ND1 8 ATOM 10137 C CD2 . HIS A 1 13 ? -14.519 -2.443 -0.965 1.00 0.00 ? 13 HIS A CD2 8 ATOM 10138 C CE1 . HIS A 1 13 ? -13.564 -4.396 -1.240 1.00 0.00 ? 13 HIS A CE1 8 ATOM 10139 N NE2 . HIS A 1 13 ? -14.646 -3.693 -1.516 1.00 0.00 ? 13 HIS A NE2 8 ATOM 10140 H H . HIS A 1 13 ? -13.360 -2.843 2.335 1.00 0.00 ? 13 HIS A H 8 ATOM 10141 H HA . HIS A 1 13 ? -10.864 -2.200 1.111 1.00 0.00 ? 13 HIS A HA 8 ATOM 10142 H HB2 . HIS A 1 13 ? -13.444 -0.665 0.814 1.00 0.00 ? 13 HIS A HB2 8 ATOM 10143 H HB3 . HIS A 1 13 ? -12.092 -0.706 -0.306 1.00 0.00 ? 13 HIS A HB3 8 ATOM 10144 H HD1 . HIS A 1 13 ? -11.870 -3.921 -0.193 1.00 0.00 ? 13 HIS A HD1 8 ATOM 10145 H HD2 . HIS A 1 13 ? -15.237 -1.637 -1.018 1.00 0.00 ? 13 HIS A HD2 8 ATOM 10146 H HE1 . HIS A 1 13 ? -13.378 -5.417 -1.542 1.00 0.00 ? 13 HIS A HE1 8 ATOM 10147 H HE2 . HIS A 1 13 ? -15.415 -4.015 -2.030 1.00 0.00 ? 13 HIS A HE2 8 ATOM 10148 N N . ALA A 1 14 ? -11.982 -0.276 3.462 1.00 0.00 ? 14 ALA A N 8 ATOM 10149 C CA . ALA A 1 14 ? -11.665 0.861 4.317 1.00 0.00 ? 14 ALA A CA 8 ATOM 10150 C C . ALA A 1 14 ? -10.392 0.595 5.104 1.00 0.00 ? 14 ALA A C 8 ATOM 10151 O O . ALA A 1 14 ? -9.460 1.398 5.089 1.00 0.00 ? 14 ALA A O 8 ATOM 10152 C CB . ALA A 1 14 ? -12.823 1.156 5.257 1.00 0.00 ? 14 ALA A CB 8 ATOM 10153 H H . ALA A 1 14 ? -12.710 -0.879 3.720 1.00 0.00 ? 14 ALA A H 8 ATOM 10154 H HA . ALA A 1 14 ? -11.512 1.723 3.684 1.00 0.00 ? 14 ALA A HA 8 ATOM 10155 H HB1 . ALA A 1 14 ? -13.579 0.393 5.151 1.00 0.00 ? 14 ALA A HB1 8 ATOM 10156 H HB2 . ALA A 1 14 ? -13.249 2.119 5.013 1.00 0.00 ? 14 ALA A HB2 8 ATOM 10157 H HB3 . ALA A 1 14 ? -12.465 1.170 6.276 1.00 0.00 ? 14 ALA A HB3 8 ATOM 10158 N N . LYS A 1 15 ? -10.351 -0.548 5.777 1.00 0.00 ? 15 LYS A N 8 ATOM 10159 C CA . LYS A 1 15 ? -9.180 -0.927 6.550 1.00 0.00 ? 15 LYS A CA 8 ATOM 10160 C C . LYS A 1 15 ? -8.048 -1.366 5.623 1.00 0.00 ? 15 LYS A C 8 ATOM 10161 O O . LYS A 1 15 ? -6.895 -1.467 6.043 1.00 0.00 ? 15 LYS A O 8 ATOM 10162 C CB . LYS A 1 15 ? -9.524 -2.053 7.527 1.00 0.00 ? 15 LYS A CB 8 ATOM 10163 C CG . LYS A 1 15 ? -10.495 -1.633 8.618 1.00 0.00 ? 15 LYS A CG 8 ATOM 10164 C CD . LYS A 1 15 ? -10.144 -2.270 9.952 1.00 0.00 ? 15 LYS A CD 8 ATOM 10165 C CE . LYS A 1 15 ? -10.496 -1.358 11.116 1.00 0.00 ? 15 LYS A CE 8 ATOM 10166 N NZ . LYS A 1 15 ? -11.699 -1.836 11.852 1.00 0.00 ? 15 LYS A NZ 8 ATOM 10167 H H . LYS A 1 15 ? -11.120 -1.158 5.739 1.00 0.00 ? 15 LYS A H 8 ATOM 10168 H HA . LYS A 1 15 ? -8.855 -0.061 7.108 1.00 0.00 ? 15 LYS A HA 8 ATOM 10169 H HB2 . LYS A 1 15 ? -9.966 -2.870 6.976 1.00 0.00 ? 15 LYS A HB2 8 ATOM 10170 H HB3 . LYS A 1 15 ? -8.615 -2.397 7.997 1.00 0.00 ? 15 LYS A HB3 8 ATOM 10171 H HG2 . LYS A 1 15 ? -10.461 -0.560 8.725 1.00 0.00 ? 15 LYS A HG2 8 ATOM 10172 H HG3 . LYS A 1 15 ? -11.493 -1.938 8.336 1.00 0.00 ? 15 LYS A HG3 8 ATOM 10173 H HD2 . LYS A 1 15 ? -10.691 -3.195 10.055 1.00 0.00 ? 15 LYS A HD2 8 ATOM 10174 H HD3 . LYS A 1 15 ? -9.083 -2.474 9.974 1.00 0.00 ? 15 LYS A HD3 8 ATOM 10175 H HE2 . LYS A 1 15 ? -9.660 -1.325 11.797 1.00 0.00 ? 15 LYS A HE2 8 ATOM 10176 H HE3 . LYS A 1 15 ? -10.689 -0.366 10.734 1.00 0.00 ? 15 LYS A HE3 8 ATOM 10177 H HZ1 . LYS A 1 15 ? -11.783 -2.870 11.767 1.00 0.00 ? 15 LYS A HZ1 8 ATOM 10178 H HZ2 . LYS A 1 15 ? -11.627 -1.586 12.858 1.00 0.00 ? 15 LYS A HZ2 8 ATOM 10179 H HZ3 . LYS A 1 15 ? -12.557 -1.398 11.459 1.00 0.00 ? 15 LYS A HZ3 8 ATOM 10180 N N . GLU A 1 16 ? -8.381 -1.622 4.357 1.00 0.00 ? 16 GLU A N 8 ATOM 10181 C CA . GLU A 1 16 ? -7.391 -2.043 3.378 1.00 0.00 ? 16 GLU A CA 8 ATOM 10182 C C . GLU A 1 16 ? -6.728 -0.835 2.728 1.00 0.00 ? 16 GLU A C 8 ATOM 10183 O O . GLU A 1 16 ? -5.546 -0.879 2.394 1.00 0.00 ? 16 GLU A O 8 ATOM 10184 C CB . GLU A 1 16 ? -8.037 -2.925 2.308 1.00 0.00 ? 16 GLU A CB 8 ATOM 10185 C CG . GLU A 1 16 ? -7.064 -3.396 1.240 1.00 0.00 ? 16 GLU A CG 8 ATOM 10186 C CD . GLU A 1 16 ? -6.802 -4.887 1.307 1.00 0.00 ? 16 GLU A CD 8 ATOM 10187 O OE1 . GLU A 1 16 ? -6.287 -5.353 2.345 1.00 0.00 ? 16 GLU A OE1 8 ATOM 10188 O OE2 . GLU A 1 16 ? -7.110 -5.589 0.322 1.00 0.00 ? 16 GLU A OE2 8 ATOM 10189 H H . GLU A 1 16 ? -9.312 -1.524 4.074 1.00 0.00 ? 16 GLU A H 8 ATOM 10190 H HA . GLU A 1 16 ? -6.637 -2.613 3.898 1.00 0.00 ? 16 GLU A HA 8 ATOM 10191 H HB2 . GLU A 1 16 ? -8.462 -3.796 2.786 1.00 0.00 ? 16 GLU A HB2 8 ATOM 10192 H HB3 . GLU A 1 16 ? -8.827 -2.367 1.826 1.00 0.00 ? 16 GLU A HB3 8 ATOM 10193 H HG2 . GLU A 1 16 ? -7.474 -3.161 0.269 1.00 0.00 ? 16 GLU A HG2 8 ATOM 10194 H HG3 . GLU A 1 16 ? -6.128 -2.874 1.370 1.00 0.00 ? 16 GLU A HG3 8 ATOM 10195 N N . ILE A 1 17 ? -7.486 0.248 2.558 1.00 0.00 ? 17 ILE A N 8 ATOM 10196 C CA . ILE A 1 17 ? -6.940 1.458 1.955 1.00 0.00 ? 17 ILE A CA 8 ATOM 10197 C C . ILE A 1 17 ? -6.095 2.222 2.968 1.00 0.00 ? 17 ILE A C 8 ATOM 10198 O O . ILE A 1 17 ? -5.072 2.812 2.620 1.00 0.00 ? 17 ILE A O 8 ATOM 10199 C CB . ILE A 1 17 ? -8.053 2.376 1.406 1.00 0.00 ? 17 ILE A CB 8 ATOM 10200 C CG1 . ILE A 1 17 ? -7.448 3.614 0.731 1.00 0.00 ? 17 ILE A CG1 8 ATOM 10201 C CG2 . ILE A 1 17 ? -9.019 2.776 2.512 1.00 0.00 ? 17 ILE A CG2 8 ATOM 10202 C CD1 . ILE A 1 17 ? -6.987 4.688 1.698 1.00 0.00 ? 17 ILE A CD1 8 ATOM 10203 H H . ILE A 1 17 ? -8.427 0.234 2.849 1.00 0.00 ? 17 ILE A H 8 ATOM 10204 H HA . ILE A 1 17 ? -6.305 1.164 1.130 1.00 0.00 ? 17 ILE A HA 8 ATOM 10205 H HB . ILE A 1 17 ? -8.610 1.816 0.668 1.00 0.00 ? 17 ILE A HB 8 ATOM 10206 H HG12 . ILE A 1 17 ? -6.592 3.313 0.146 1.00 0.00 ? 17 ILE A HG12 8 ATOM 10207 H HG13 . ILE A 1 17 ? -8.186 4.053 0.077 1.00 0.00 ? 17 ILE A HG13 8 ATOM 10208 H HG21 . ILE A 1 17 ? -9.439 1.889 2.962 1.00 0.00 ? 17 ILE A HG21 8 ATOM 10209 H HG22 . ILE A 1 17 ? -8.492 3.345 3.263 1.00 0.00 ? 17 ILE A HG22 8 ATOM 10210 H HG23 . ILE A 1 17 ? -9.814 3.377 2.094 1.00 0.00 ? 17 ILE A HG23 8 ATOM 10211 H HD11 . ILE A 1 17 ? -7.200 4.376 2.710 1.00 0.00 ? 17 ILE A HD11 8 ATOM 10212 H HD12 . ILE A 1 17 ? -5.925 4.842 1.585 1.00 0.00 ? 17 ILE A HD12 8 ATOM 10213 H HD13 . ILE A 1 17 ? -7.509 5.609 1.488 1.00 0.00 ? 17 ILE A HD13 8 ATOM 10214 N N . GLU A 1 18 ? -6.522 2.192 4.226 1.00 0.00 ? 18 GLU A N 8 ATOM 10215 C CA . GLU A 1 18 ? -5.794 2.869 5.290 1.00 0.00 ? 18 GLU A CA 8 ATOM 10216 C C . GLU A 1 18 ? -4.588 2.040 5.717 1.00 0.00 ? 18 GLU A C 8 ATOM 10217 O O . GLU A 1 18 ? -3.513 2.578 5.987 1.00 0.00 ? 18 GLU A O 8 ATOM 10218 C CB . GLU A 1 18 ? -6.710 3.120 6.489 1.00 0.00 ? 18 GLU A CB 8 ATOM 10219 C CG . GLU A 1 18 ? -6.410 4.417 7.223 1.00 0.00 ? 18 GLU A CG 8 ATOM 10220 C CD . GLU A 1 18 ? -5.976 4.189 8.657 1.00 0.00 ? 18 GLU A CD 8 ATOM 10221 O OE1 . GLU A 1 18 ? -4.840 3.712 8.865 1.00 0.00 ? 18 GLU A OE1 8 ATOM 10222 O OE2 . GLU A 1 18 ? -6.772 4.485 9.573 1.00 0.00 ? 18 GLU A OE2 8 ATOM 10223 H H . GLU A 1 18 ? -7.338 1.694 4.446 1.00 0.00 ? 18 GLU A H 8 ATOM 10224 H HA . GLU A 1 18 ? -5.446 3.816 4.905 1.00 0.00 ? 18 GLU A HA 8 ATOM 10225 H HB2 . GLU A 1 18 ? -7.732 3.154 6.145 1.00 0.00 ? 18 GLU A HB2 8 ATOM 10226 H HB3 . GLU A 1 18 ? -6.601 2.303 7.187 1.00 0.00 ? 18 GLU A HB3 8 ATOM 10227 H HG2 . GLU A 1 18 ? -5.619 4.936 6.702 1.00 0.00 ? 18 GLU A HG2 8 ATOM 10228 H HG3 . GLU A 1 18 ? -7.300 5.029 7.224 1.00 0.00 ? 18 GLU A HG3 8 ATOM 10229 N N . ARG A 1 19 ? -4.773 0.724 5.768 1.00 0.00 ? 19 ARG A N 8 ATOM 10230 C CA . ARG A 1 19 ? -3.699 -0.181 6.152 1.00 0.00 ? 19 ARG A CA 8 ATOM 10231 C C . ARG A 1 19 ? -2.680 -0.306 5.029 1.00 0.00 ? 19 ARG A C 8 ATOM 10232 O O . ARG A 1 19 ? -1.502 -0.569 5.272 1.00 0.00 ? 19 ARG A O 8 ATOM 10233 C CB . ARG A 1 19 ? -4.261 -1.558 6.508 1.00 0.00 ? 19 ARG A CB 8 ATOM 10234 C CG . ARG A 1 19 ? -3.227 -2.504 7.096 1.00 0.00 ? 19 ARG A CG 8 ATOM 10235 C CD . ARG A 1 19 ? -3.075 -2.301 8.595 1.00 0.00 ? 19 ARG A CD 8 ATOM 10236 N NE . ARG A 1 19 ? -1.770 -2.743 9.078 1.00 0.00 ? 19 ARG A NE 8 ATOM 10237 C CZ . ARG A 1 19 ? -0.655 -2.032 8.942 1.00 0.00 ? 19 ARG A CZ 8 ATOM 10238 N NH1 . ARG A 1 19 ? -0.688 -0.851 8.341 1.00 0.00 ? 19 ARG A NH1 8 ATOM 10239 N NH2 . ARG A 1 19 ? 0.495 -2.502 9.408 1.00 0.00 ? 19 ARG A NH2 8 ATOM 10240 H H . ARG A 1 19 ? -5.650 0.353 5.533 1.00 0.00 ? 19 ARG A H 8 ATOM 10241 H HA . ARG A 1 19 ? -3.209 0.237 7.020 1.00 0.00 ? 19 ARG A HA 8 ATOM 10242 H HB2 . ARG A 1 19 ? -5.056 -1.434 7.230 1.00 0.00 ? 19 ARG A HB2 8 ATOM 10243 H HB3 . ARG A 1 19 ? -4.666 -2.011 5.616 1.00 0.00 ? 19 ARG A HB3 8 ATOM 10244 H HG2 . ARG A 1 19 ? -3.536 -3.521 6.910 1.00 0.00 ? 19 ARG A HG2 8 ATOM 10245 H HG3 . ARG A 1 19 ? -2.276 -2.322 6.618 1.00 0.00 ? 19 ARG A HG3 8 ATOM 10246 H HD2 . ARG A 1 19 ? -3.192 -1.250 8.817 1.00 0.00 ? 19 ARG A HD2 8 ATOM 10247 H HD3 . ARG A 1 19 ? -3.845 -2.863 9.102 1.00 0.00 ? 19 ARG A HD3 8 ATOM 10248 H HE . ARG A 1 19 ? -1.722 -3.613 9.525 1.00 0.00 ? 19 ARG A HE 8 ATOM 10249 H HH11 . ARG A 1 19 ? -1.554 -0.493 7.989 1.00 0.00 ? 19 ARG A HH11 8 ATOM 10250 H HH12 . ARG A 1 19 ? 0.151 -0.316 8.240 1.00 0.00 ? 19 ARG A HH12 8 ATOM 10251 H HH21 . ARG A 1 19 ? 0.524 -3.392 9.862 1.00 0.00 ? 19 ARG A HH21 8 ATOM 10252 H HH22 . ARG A 1 19 ? 1.333 -1.965 9.304 1.00 0.00 ? 19 ARG A HH22 8 ATOM 10253 N N . LEU A 1 20 ? -3.136 -0.105 3.797 1.00 0.00 ? 20 LEU A N 8 ATOM 10254 C CA . LEU A 1 20 ? -2.254 -0.185 2.643 1.00 0.00 ? 20 LEU A CA 8 ATOM 10255 C C . LEU A 1 20 ? -1.345 1.034 2.597 1.00 0.00 ? 20 LEU A C 8 ATOM 10256 O O . LEU A 1 20 ? -0.155 0.921 2.310 1.00 0.00 ? 20 LEU A O 8 ATOM 10257 C CB . LEU A 1 20 ? -3.067 -0.286 1.350 1.00 0.00 ? 20 LEU A CB 8 ATOM 10258 C CG . LEU A 1 20 ? -3.462 -1.705 0.942 1.00 0.00 ? 20 LEU A CG 8 ATOM 10259 C CD1 . LEU A 1 20 ? -4.571 -1.671 -0.098 1.00 0.00 ? 20 LEU A CD1 8 ATOM 10260 C CD2 . LEU A 1 20 ? -2.254 -2.462 0.411 1.00 0.00 ? 20 LEU A CD2 8 ATOM 10261 H H . LEU A 1 20 ? -4.082 0.112 3.662 1.00 0.00 ? 20 LEU A H 8 ATOM 10262 H HA . LEU A 1 20 ? -1.647 -1.072 2.748 1.00 0.00 ? 20 LEU A HA 8 ATOM 10263 H HB2 . LEU A 1 20 ? -3.967 0.299 1.469 1.00 0.00 ? 20 LEU A HB2 8 ATOM 10264 H HB3 . LEU A 1 20 ? -2.484 0.144 0.552 1.00 0.00 ? 20 LEU A HB3 8 ATOM 10265 H HG . LEU A 1 20 ? -3.834 -2.232 1.809 1.00 0.00 ? 20 LEU A HG 8 ATOM 10266 H HD11 . LEU A 1 20 ? -5.339 -0.980 0.216 1.00 0.00 ? 20 LEU A HD11 8 ATOM 10267 H HD12 . LEU A 1 20 ? -4.165 -1.353 -1.047 1.00 0.00 ? 20 LEU A HD12 8 ATOM 10268 H HD13 . LEU A 1 20 ? -4.996 -2.659 -0.203 1.00 0.00 ? 20 LEU A HD13 8 ATOM 10269 H HD21 . LEU A 1 20 ? -1.459 -2.426 1.141 1.00 0.00 ? 20 LEU A HD21 8 ATOM 10270 H HD22 . LEU A 1 20 ? -2.526 -3.490 0.226 1.00 0.00 ? 20 LEU A HD22 8 ATOM 10271 H HD23 . LEU A 1 20 ? -1.919 -2.006 -0.509 1.00 0.00 ? 20 LEU A HD23 8 ATOM 10272 N N . GLN A 1 21 ? -1.914 2.199 2.894 1.00 0.00 ? 21 GLN A N 8 ATOM 10273 C CA . GLN A 1 21 ? -1.152 3.440 2.897 1.00 0.00 ? 21 GLN A CA 8 ATOM 10274 C C . GLN A 1 21 ? -0.028 3.375 3.926 1.00 0.00 ? 21 GLN A C 8 ATOM 10275 O O . GLN A 1 21 ? 1.117 3.726 3.634 1.00 0.00 ? 21 GLN A O 8 ATOM 10276 C CB . GLN A 1 21 ? -2.070 4.627 3.200 1.00 0.00 ? 21 GLN A CB 8 ATOM 10277 C CG . GLN A 1 21 ? -1.345 5.963 3.240 1.00 0.00 ? 21 GLN A CG 8 ATOM 10278 C CD . GLN A 1 21 ? -2.293 7.143 3.166 1.00 0.00 ? 21 GLN A CD 8 ATOM 10279 O OE1 . GLN A 1 21 ? -2.585 7.784 4.176 1.00 0.00 ? 21 GLN A OE1 8 ATOM 10280 N NE2 . GLN A 1 21 ? -2.782 7.436 1.966 1.00 0.00 ? 21 GLN A NE2 8 ATOM 10281 H H . GLN A 1 21 ? -2.870 2.222 3.122 1.00 0.00 ? 21 GLN A H 8 ATOM 10282 H HA . GLN A 1 21 ? -0.721 3.569 1.916 1.00 0.00 ? 21 GLN A HA 8 ATOM 10283 H HB2 . GLN A 1 21 ? -2.834 4.679 2.438 1.00 0.00 ? 21 GLN A HB2 8 ATOM 10284 H HB3 . GLN A 1 21 ? -2.540 4.468 4.159 1.00 0.00 ? 21 GLN A HB3 8 ATOM 10285 H HG2 . GLN A 1 21 ? -0.786 6.026 4.161 1.00 0.00 ? 21 GLN A HG2 8 ATOM 10286 H HG3 . GLN A 1 21 ? -0.664 6.013 2.402 1.00 0.00 ? 21 GLN A HG3 8 ATOM 10287 H HE21 . GLN A 1 21 ? -2.506 6.881 1.206 1.00 0.00 ? 21 GLN A HE21 8 ATOM 10288 H HE22 . GLN A 1 21 ? -3.397 8.194 1.889 1.00 0.00 ? 21 GLN A HE22 8 ATOM 10289 N N . LYS A 1 22 ? -0.360 2.919 5.130 1.00 0.00 ? 22 LYS A N 8 ATOM 10290 C CA . LYS A 1 22 ? 0.626 2.804 6.198 1.00 0.00 ? 22 LYS A CA 8 ATOM 10291 C C . LYS A 1 22 ? 1.705 1.790 5.831 1.00 0.00 ? 22 LYS A C 8 ATOM 10292 O O . LYS A 1 22 ? 2.867 1.939 6.210 1.00 0.00 ? 22 LYS A O 8 ATOM 10293 C CB . LYS A 1 22 ? -0.052 2.395 7.507 1.00 0.00 ? 22 LYS A CB 8 ATOM 10294 C CG . LYS A 1 22 ? -0.140 3.519 8.525 1.00 0.00 ? 22 LYS A CG 8 ATOM 10295 C CD . LYS A 1 22 ? 1.241 3.968 8.977 1.00 0.00 ? 22 LYS A CD 8 ATOM 10296 C CE . LYS A 1 22 ? 1.664 5.252 8.282 1.00 0.00 ? 22 LYS A CE 8 ATOM 10297 N NZ . LYS A 1 22 ? 2.558 6.079 9.139 1.00 0.00 ? 22 LYS A NZ 8 ATOM 10298 H H . LYS A 1 22 ? -1.288 2.650 5.304 1.00 0.00 ? 22 LYS A H 8 ATOM 10299 H HA . LYS A 1 22 ? 1.088 3.772 6.329 1.00 0.00 ? 22 LYS A HA 8 ATOM 10300 H HB2 . LYS A 1 22 ? -1.055 2.057 7.288 1.00 0.00 ? 22 LYS A HB2 8 ATOM 10301 H HB3 . LYS A 1 22 ? 0.504 1.581 7.947 1.00 0.00 ? 22 LYS A HB3 8 ATOM 10302 H HG2 . LYS A 1 22 ? -0.651 4.358 8.078 1.00 0.00 ? 22 LYS A HG2 8 ATOM 10303 H HG3 . LYS A 1 22 ? -0.695 3.172 9.384 1.00 0.00 ? 22 LYS A HG3 8 ATOM 10304 H HD2 . LYS A 1 22 ? 1.222 4.139 10.043 1.00 0.00 ? 22 LYS A HD2 8 ATOM 10305 H HD3 . LYS A 1 22 ? 1.954 3.192 8.747 1.00 0.00 ? 22 LYS A HD3 8 ATOM 10306 H HE2 . LYS A 1 22 ? 2.187 4.998 7.371 1.00 0.00 ? 22 LYS A HE2 8 ATOM 10307 H HE3 . LYS A 1 22 ? 0.780 5.825 8.041 1.00 0.00 ? 22 LYS A HE3 8 ATOM 10308 H HZ1 . LYS A 1 22 ? 2.798 5.563 10.009 1.00 0.00 ? 22 LYS A HZ1 8 ATOM 10309 H HZ2 . LYS A 1 22 ? 3.436 6.303 8.628 1.00 0.00 ? 22 LYS A HZ2 8 ATOM 10310 H HZ3 . LYS A 1 22 ? 2.084 6.969 9.396 1.00 0.00 ? 22 LYS A HZ3 8 ATOM 10311 N N . GLU A 1 23 ? 1.310 0.760 5.090 1.00 0.00 ? 23 GLU A N 8 ATOM 10312 C CA . GLU A 1 23 ? 2.242 -0.281 4.670 1.00 0.00 ? 23 GLU A CA 8 ATOM 10313 C C . GLU A 1 23 ? 3.257 0.263 3.671 1.00 0.00 ? 23 GLU A C 8 ATOM 10314 O O . GLU A 1 23 ? 4.420 -0.143 3.670 1.00 0.00 ? 23 GLU A O 8 ATOM 10315 C CB . GLU A 1 23 ? 1.480 -1.455 4.054 1.00 0.00 ? 23 GLU A CB 8 ATOM 10316 C CG . GLU A 1 23 ? 1.219 -2.591 5.030 1.00 0.00 ? 23 GLU A CG 8 ATOM 10317 C CD . GLU A 1 23 ? 2.109 -3.792 4.779 1.00 0.00 ? 23 GLU A CD 8 ATOM 10318 O OE1 . GLU A 1 23 ? 1.770 -4.609 3.897 1.00 0.00 ? 23 GLU A OE1 8 ATOM 10319 O OE2 . GLU A 1 23 ? 3.146 -3.917 5.464 1.00 0.00 ? 23 GLU A OE2 8 ATOM 10320 H H . GLU A 1 23 ? 0.370 0.697 4.820 1.00 0.00 ? 23 GLU A H 8 ATOM 10321 H HA . GLU A 1 23 ? 2.768 -0.626 5.547 1.00 0.00 ? 23 GLU A HA 8 ATOM 10322 H HB2 . GLU A 1 23 ? 0.530 -1.100 3.685 1.00 0.00 ? 23 GLU A HB2 8 ATOM 10323 H HB3 . GLU A 1 23 ? 2.054 -1.846 3.226 1.00 0.00 ? 23 GLU A HB3 8 ATOM 10324 H HG2 . GLU A 1 23 ? 1.397 -2.234 6.034 1.00 0.00 ? 23 GLU A HG2 8 ATOM 10325 H HG3 . GLU A 1 23 ? 0.188 -2.899 4.936 1.00 0.00 ? 23 GLU A HG3 8 ATOM 10326 N N . ILE A 1 24 ? 2.815 1.187 2.823 1.00 0.00 ? 24 ILE A N 8 ATOM 10327 C CA . ILE A 1 24 ? 3.697 1.782 1.825 1.00 0.00 ? 24 ILE A CA 8 ATOM 10328 C C . ILE A 1 24 ? 4.772 2.627 2.510 1.00 0.00 ? 24 ILE A C 8 ATOM 10329 O O . ILE A 1 24 ? 5.942 2.598 2.128 1.00 0.00 ? 24 ILE A O 8 ATOM 10330 C CB . ILE A 1 24 ? 2.913 2.623 0.764 1.00 0.00 ? 24 ILE A CB 8 ATOM 10331 C CG1 . ILE A 1 24 ? 2.836 4.113 1.132 1.00 0.00 ? 24 ILE A CG1 8 ATOM 10332 C CG2 . ILE A 1 24 ? 1.510 2.071 0.565 1.00 0.00 ? 24 ILE A CG2 8 ATOM 10333 C CD1 . ILE A 1 24 ? 4.084 4.883 0.756 1.00 0.00 ? 24 ILE A CD1 8 ATOM 10334 H H . ILE A 1 24 ? 1.881 1.476 2.874 1.00 0.00 ? 24 ILE A H 8 ATOM 10335 H HA . ILE A 1 24 ? 4.188 0.968 1.305 1.00 0.00 ? 24 ILE A HA 8 ATOM 10336 H HB . ILE A 1 24 ? 3.435 2.528 -0.178 1.00 0.00 ? 24 ILE A HB 8 ATOM 10337 H HG12 . ILE A 1 24 ? 2.000 4.564 0.618 1.00 0.00 ? 24 ILE A HG12 8 ATOM 10338 H HG13 . ILE A 1 24 ? 2.693 4.208 2.198 1.00 0.00 ? 24 ILE A HG13 8 ATOM 10339 H HG21 . ILE A 1 24 ? 1.485 1.034 0.865 1.00 0.00 ? 24 ILE A HG21 8 ATOM 10340 H HG22 . ILE A 1 24 ? 0.812 2.635 1.165 1.00 0.00 ? 24 ILE A HG22 8 ATOM 10341 H HG23 . ILE A 1 24 ? 1.235 2.151 -0.473 1.00 0.00 ? 24 ILE A HG23 8 ATOM 10342 H HD11 . ILE A 1 24 ? 4.788 4.214 0.279 1.00 0.00 ? 24 ILE A HD11 8 ATOM 10343 H HD12 . ILE A 1 24 ? 3.824 5.680 0.076 1.00 0.00 ? 24 ILE A HD12 8 ATOM 10344 H HD13 . ILE A 1 24 ? 4.532 5.300 1.647 1.00 0.00 ? 24 ILE A HD13 8 ATOM 10345 N N . GLU A 1 25 ? 4.358 3.375 3.530 1.00 0.00 ? 25 GLU A N 8 ATOM 10346 C CA . GLU A 1 25 ? 5.274 4.223 4.280 1.00 0.00 ? 25 GLU A CA 8 ATOM 10347 C C . GLU A 1 25 ? 6.389 3.391 4.900 1.00 0.00 ? 25 GLU A C 8 ATOM 10348 O O . GLU A 1 25 ? 7.560 3.761 4.841 1.00 0.00 ? 25 GLU A O 8 ATOM 10349 C CB . GLU A 1 25 ? 4.521 4.986 5.371 1.00 0.00 ? 25 GLU A CB 8 ATOM 10350 C CG . GLU A 1 25 ? 5.153 6.322 5.726 1.00 0.00 ? 25 GLU A CG 8 ATOM 10351 C CD . GLU A 1 25 ? 4.159 7.293 6.333 1.00 0.00 ? 25 GLU A CD 8 ATOM 10352 O OE1 . GLU A 1 25 ? 2.942 7.033 6.242 1.00 0.00 ? 25 GLU A OE1 8 ATOM 10353 O OE2 . GLU A 1 25 ? 4.599 8.316 6.901 1.00 0.00 ? 25 GLU A OE2 8 ATOM 10354 H H . GLU A 1 25 ? 3.411 3.349 3.788 1.00 0.00 ? 25 GLU A H 8 ATOM 10355 H HA . GLU A 1 25 ? 5.709 4.932 3.591 1.00 0.00 ? 25 GLU A HA 8 ATOM 10356 H HB2 . GLU A 1 25 ? 3.511 5.168 5.036 1.00 0.00 ? 25 GLU A HB2 8 ATOM 10357 H HB3 . GLU A 1 25 ? 4.490 4.379 6.263 1.00 0.00 ? 25 GLU A HB3 8 ATOM 10358 H HG2 . GLU A 1 25 ? 5.947 6.153 6.437 1.00 0.00 ? 25 GLU A HG2 8 ATOM 10359 H HG3 . GLU A 1 25 ? 5.562 6.763 4.828 1.00 0.00 ? 25 GLU A HG3 8 ATOM 10360 N N . ARG A 1 26 ? 6.016 2.258 5.487 1.00 0.00 ? 26 ARG A N 8 ATOM 10361 C CA . ARG A 1 26 ? 6.988 1.368 6.109 1.00 0.00 ? 26 ARG A CA 8 ATOM 10362 C C . ARG A 1 26 ? 8.061 0.974 5.103 1.00 0.00 ? 26 ARG A C 8 ATOM 10363 O O . ARG A 1 26 ? 9.258 1.073 5.382 1.00 0.00 ? 26 ARG A O 8 ATOM 10364 C CB . ARG A 1 26 ? 6.294 0.117 6.654 1.00 0.00 ? 26 ARG A CB 8 ATOM 10365 C CG . ARG A 1 26 ? 6.463 -0.067 8.153 1.00 0.00 ? 26 ARG A CG 8 ATOM 10366 C CD . ARG A 1 26 ? 5.912 1.121 8.925 1.00 0.00 ? 26 ARG A CD 8 ATOM 10367 N NE . ARG A 1 26 ? 6.389 1.146 10.305 1.00 0.00 ? 26 ARG A NE 8 ATOM 10368 C CZ . ARG A 1 26 ? 6.108 2.119 11.164 1.00 0.00 ? 26 ARG A CZ 8 ATOM 10369 N NH1 . ARG A 1 26 ? 5.353 3.143 10.785 1.00 0.00 ? 26 ARG A NH1 8 ATOM 10370 N NH2 . ARG A 1 26 ? 6.579 2.072 12.402 1.00 0.00 ? 26 ARG A NH2 8 ATOM 10371 H H . ARG A 1 26 ? 5.066 2.013 5.498 1.00 0.00 ? 26 ARG A H 8 ATOM 10372 H HA . ARG A 1 26 ? 7.451 1.900 6.927 1.00 0.00 ? 26 ARG A HA 8 ATOM 10373 H HB2 . ARG A 1 26 ? 5.238 0.181 6.437 1.00 0.00 ? 26 ARG A HB2 8 ATOM 10374 H HB3 . ARG A 1 26 ? 6.703 -0.751 6.158 1.00 0.00 ? 26 ARG A HB3 8 ATOM 10375 H HG2 . ARG A 1 26 ? 5.934 -0.958 8.458 1.00 0.00 ? 26 ARG A HG2 8 ATOM 10376 H HG3 . ARG A 1 26 ? 7.514 -0.175 8.377 1.00 0.00 ? 26 ARG A HG3 8 ATOM 10377 H HD2 . ARG A 1 26 ? 6.220 2.029 8.432 1.00 0.00 ? 26 ARG A HD2 8 ATOM 10378 H HD3 . ARG A 1 26 ? 4.833 1.063 8.930 1.00 0.00 ? 26 ARG A HD3 8 ATOM 10379 H HE . ARG A 1 26 ? 6.949 0.399 10.606 1.00 0.00 ? 26 ARG A HE 8 ATOM 10380 H HH11 . ARG A 1 26 ? 4.996 3.182 9.852 1.00 0.00 ? 26 ARG A HH11 8 ATOM 10381 H HH12 . ARG A 1 26 ? 5.142 3.874 11.433 1.00 0.00 ? 26 ARG A HH12 8 ATOM 10382 H HH21 . ARG A 1 26 ? 7.148 1.301 12.691 1.00 0.00 ? 26 ARG A HH21 8 ATOM 10383 H HH22 . ARG A 1 26 ? 6.366 2.806 13.047 1.00 0.00 ? 26 ARG A HH22 8 ATOM 10384 N N . HIS A 1 27 ? 7.626 0.538 3.925 1.00 0.00 ? 27 HIS A N 8 ATOM 10385 C CA . HIS A 1 27 ? 8.550 0.142 2.871 1.00 0.00 ? 27 HIS A CA 8 ATOM 10386 C C . HIS A 1 27 ? 9.357 1.342 2.385 1.00 0.00 ? 27 HIS A C 8 ATOM 10387 O O . HIS A 1 27 ? 10.451 1.188 1.844 1.00 0.00 ? 27 HIS A O 8 ATOM 10388 C CB . HIS A 1 27 ? 7.788 -0.487 1.705 1.00 0.00 ? 27 HIS A CB 8 ATOM 10389 C CG . HIS A 1 27 ? 7.590 -1.964 1.849 1.00 0.00 ? 27 HIS A CG 8 ATOM 10390 N ND1 . HIS A 1 27 ? 8.611 -2.879 1.700 1.00 0.00 ? 27 HIS A ND1 8 ATOM 10391 C CD2 . HIS A 1 27 ? 6.479 -2.685 2.131 1.00 0.00 ? 27 HIS A CD2 8 ATOM 10392 C CE1 . HIS A 1 27 ? 8.137 -4.099 1.884 1.00 0.00 ? 27 HIS A CE1 8 ATOM 10393 N NE2 . HIS A 1 27 ? 6.848 -4.007 2.148 1.00 0.00 ? 27 HIS A NE2 8 ATOM 10394 H H . HIS A 1 27 ? 6.659 0.490 3.759 1.00 0.00 ? 27 HIS A H 8 ATOM 10395 H HA . HIS A 1 27 ? 9.228 -0.590 3.284 1.00 0.00 ? 27 HIS A HA 8 ATOM 10396 H HB2 . HIS A 1 27 ? 6.815 -0.027 1.629 1.00 0.00 ? 27 HIS A HB2 8 ATOM 10397 H HB3 . HIS A 1 27 ? 8.336 -0.311 0.790 1.00 0.00 ? 27 HIS A HB3 8 ATOM 10398 H HD1 . HIS A 1 27 ? 9.545 -2.666 1.490 1.00 0.00 ? 27 HIS A HD1 8 ATOM 10399 H HD2 . HIS A 1 27 ? 5.488 -2.293 2.311 1.00 0.00 ? 27 HIS A HD2 8 ATOM 10400 H HE1 . HIS A 1 27 ? 8.708 -5.014 1.830 1.00 0.00 ? 27 HIS A HE1 8 ATOM 10401 H HE2 . HIS A 1 27 ? 6.251 -4.765 2.326 1.00 0.00 ? 27 HIS A HE2 8 ATOM 10402 N N . LYS A 1 28 ? 8.810 2.539 2.587 1.00 0.00 ? 28 LYS A N 8 ATOM 10403 C CA . LYS A 1 28 ? 9.480 3.766 2.173 1.00 0.00 ? 28 LYS A CA 8 ATOM 10404 C C . LYS A 1 28 ? 10.654 4.075 3.095 1.00 0.00 ? 28 LYS A C 8 ATOM 10405 O O . LYS A 1 28 ? 11.665 4.631 2.667 1.00 0.00 ? 28 LYS A O 8 ATOM 10406 C CB . LYS A 1 28 ? 8.494 4.937 2.175 1.00 0.00 ? 28 LYS A CB 8 ATOM 10407 C CG . LYS A 1 28 ? 8.961 6.126 1.353 1.00 0.00 ? 28 LYS A CG 8 ATOM 10408 C CD . LYS A 1 28 ? 8.880 7.419 2.148 1.00 0.00 ? 28 LYS A CD 8 ATOM 10409 C CE . LYS A 1 28 ? 10.245 7.838 2.671 1.00 0.00 ? 28 LYS A CE 8 ATOM 10410 N NZ . LYS A 1 28 ? 10.349 9.314 2.831 1.00 0.00 ? 28 LYS A NZ 8 ATOM 10411 H H . LYS A 1 28 ? 7.936 2.599 3.025 1.00 0.00 ? 28 LYS A H 8 ATOM 10412 H HA . LYS A 1 28 ? 9.851 3.620 1.171 1.00 0.00 ? 28 LYS A HA 8 ATOM 10413 H HB2 . LYS A 1 28 ? 7.550 4.597 1.775 1.00 0.00 ? 28 LYS A HB2 8 ATOM 10414 H HB3 . LYS A 1 28 ? 8.346 5.265 3.193 1.00 0.00 ? 28 LYS A HB3 8 ATOM 10415 H HG2 . LYS A 1 28 ? 9.986 5.963 1.053 1.00 0.00 ? 28 LYS A HG2 8 ATOM 10416 H HG3 . LYS A 1 28 ? 8.337 6.213 0.476 1.00 0.00 ? 28 LYS A HG3 8 ATOM 10417 H HD2 . LYS A 1 28 ? 8.496 8.200 1.509 1.00 0.00 ? 28 LYS A HD2 8 ATOM 10418 H HD3 . LYS A 1 28 ? 8.213 7.274 2.984 1.00 0.00 ? 28 LYS A HD3 8 ATOM 10419 H HE2 . LYS A 1 28 ? 10.409 7.369 3.630 1.00 0.00 ? 28 LYS A HE2 8 ATOM 10420 H HE3 . LYS A 1 28 ? 11.001 7.505 1.975 1.00 0.00 ? 28 LYS A HE3 8 ATOM 10421 H HZ1 . LYS A 1 28 ? 9.478 9.772 2.496 1.00 0.00 ? 28 LYS A HZ1 8 ATOM 10422 H HZ2 . LYS A 1 28 ? 10.492 9.555 3.832 1.00 0.00 ? 28 LYS A HZ2 8 ATOM 10423 H HZ3 . LYS A 1 28 ? 11.153 9.678 2.281 1.00 0.00 ? 28 LYS A HZ3 8 ATOM 10424 N N . GLN A 1 29 ? 10.513 3.708 4.365 1.00 0.00 ? 29 GLN A N 8 ATOM 10425 C CA . GLN A 1 29 ? 11.561 3.944 5.350 1.00 0.00 ? 29 GLN A CA 8 ATOM 10426 C C . GLN A 1 29 ? 12.691 2.933 5.188 1.00 0.00 ? 29 GLN A C 8 ATOM 10427 O O . GLN A 1 29 ? 13.854 3.245 5.440 1.00 0.00 ? 29 GLN A O 8 ATOM 10428 C CB . GLN A 1 29 ? 10.989 3.864 6.765 1.00 0.00 ? 29 GLN A CB 8 ATOM 10429 C CG . GLN A 1 29 ? 11.646 4.826 7.741 1.00 0.00 ? 29 GLN A CG 8 ATOM 10430 C CD . GLN A 1 29 ? 10.698 5.907 8.223 1.00 0.00 ? 29 GLN A CD 8 ATOM 10431 O OE1 . GLN A 1 29 ? 10.176 6.690 7.429 1.00 0.00 ? 29 GLN A OE1 8 ATOM 10432 N NE2 . GLN A 1 29 ? 10.469 5.954 9.530 1.00 0.00 ? 29 GLN A NE2 8 ATOM 10433 H H . GLN A 1 29 ? 9.683 3.268 4.646 1.00 0.00 ? 29 GLN A H 8 ATOM 10434 H HA . GLN A 1 29 ? 11.954 4.935 5.185 1.00 0.00 ? 29 GLN A HA 8 ATOM 10435 H HB2 . GLN A 1 29 ? 9.934 4.088 6.727 1.00 0.00 ? 29 GLN A HB2 8 ATOM 10436 H HB3 . GLN A 1 29 ? 11.122 2.859 7.137 1.00 0.00 ? 29 GLN A HB3 8 ATOM 10437 H HG2 . GLN A 1 29 ? 11.995 4.268 8.597 1.00 0.00 ? 29 GLN A HG2 8 ATOM 10438 H HG3 . GLN A 1 29 ? 12.487 5.296 7.252 1.00 0.00 ? 29 GLN A HG3 8 ATOM 10439 H HE21 . GLN A 1 29 ? 10.920 5.298 10.103 1.00 0.00 ? 29 GLN A HE21 8 ATOM 10440 H HE22 . GLN A 1 29 ? 9.860 6.643 9.868 1.00 0.00 ? 29 GLN A HE22 8 ATOM 10441 N N . SER A 1 30 ? 12.341 1.723 4.767 1.00 0.00 ? 30 SER A N 8 ATOM 10442 C CA . SER A 1 30 ? 13.329 0.668 4.570 1.00 0.00 ? 30 SER A CA 8 ATOM 10443 C C . SER A 1 30 ? 14.134 0.914 3.298 1.00 0.00 ? 30 SER A C 8 ATOM 10444 O O . SER A 1 30 ? 15.327 0.616 3.240 1.00 0.00 ? 30 SER A O 8 ATOM 10445 C CB . SER A 1 30 ? 12.645 -0.699 4.501 1.00 0.00 ? 30 SER A CB 8 ATOM 10446 O OG . SER A 1 30 ? 12.171 -0.969 3.192 1.00 0.00 ? 30 SER A OG 8 ATOM 10447 H H . SER A 1 30 ? 11.395 1.534 4.583 1.00 0.00 ? 30 SER A H 8 ATOM 10448 H HA . SER A 1 30 ? 14.000 0.683 5.416 1.00 0.00 ? 30 SER A HA 8 ATOM 10449 H HB2 . SER A 1 30 ? 13.351 -1.466 4.779 1.00 0.00 ? 30 SER A HB2 8 ATOM 10450 H HB3 . SER A 1 30 ? 11.808 -0.715 5.184 1.00 0.00 ? 30 SER A HB3 8 ATOM 10451 H HG . SER A 1 30 ? 11.916 -0.148 2.766 1.00 0.00 ? 30 SER A HG 8 ATOM 10452 N N . ILE A 1 31 ? 13.473 1.460 2.282 1.00 0.00 ? 31 ILE A N 8 ATOM 10453 C CA . ILE A 1 31 ? 14.124 1.748 1.009 1.00 0.00 ? 31 ILE A CA 8 ATOM 10454 C C . ILE A 1 31 ? 15.053 2.951 1.128 1.00 0.00 ? 31 ILE A C 8 ATOM 10455 O O . ILE A 1 31 ? 16.108 2.998 0.494 1.00 0.00 ? 31 ILE A O 8 ATOM 10456 C CB . ILE A 1 31 ? 13.083 2.012 -0.097 1.00 0.00 ? 31 ILE A CB 8 ATOM 10457 C CG1 . ILE A 1 31 ? 13.766 2.316 -1.430 1.00 0.00 ? 31 ILE A CG1 8 ATOM 10458 C CG2 . ILE A 1 31 ? 12.167 3.159 0.299 1.00 0.00 ? 31 ILE A CG2 8 ATOM 10459 C CD1 . ILE A 1 31 ? 14.534 1.145 -1.999 1.00 0.00 ? 31 ILE A CD1 8 ATOM 10460 H H . ILE A 1 31 ? 12.522 1.674 2.392 1.00 0.00 ? 31 ILE A H 8 ATOM 10461 H HA . ILE A 1 31 ? 14.706 0.883 0.729 1.00 0.00 ? 31 ILE A HA 8 ATOM 10462 H HB . ILE A 1 31 ? 12.482 1.123 -0.204 1.00 0.00 ? 31 ILE A HB 8 ATOM 10463 H HG12 . ILE A 1 31 ? 13.013 2.597 -2.154 1.00 0.00 ? 31 ILE A HG12 8 ATOM 10464 H HG13 . ILE A 1 31 ? 14.456 3.136 -1.297 1.00 0.00 ? 31 ILE A HG13 8 ATOM 10465 H HG21 . ILE A 1 31 ? 12.755 4.051 0.460 1.00 0.00 ? 31 ILE A HG21 8 ATOM 10466 H HG22 . ILE A 1 31 ? 11.452 3.339 -0.491 1.00 0.00 ? 31 ILE A HG22 8 ATOM 10467 H HG23 . ILE A 1 31 ? 11.644 2.906 1.206 1.00 0.00 ? 31 ILE A HG23 8 ATOM 10468 H HD11 . ILE A 1 31 ? 15.142 0.702 -1.224 1.00 0.00 ? 31 ILE A HD11 8 ATOM 10469 H HD12 . ILE A 1 31 ? 13.840 0.411 -2.377 1.00 0.00 ? 31 ILE A HD12 8 ATOM 10470 H HD13 . ILE A 1 31 ? 15.168 1.487 -2.803 1.00 0.00 ? 31 ILE A HD13 8 ATOM 10471 N N . LYS A 1 32 ? 14.658 3.921 1.947 1.00 0.00 ? 32 LYS A N 8 ATOM 10472 C CA . LYS A 1 32 ? 15.462 5.120 2.149 1.00 0.00 ? 32 LYS A CA 8 ATOM 10473 C C . LYS A 1 32 ? 16.645 4.826 3.064 1.00 0.00 ? 32 LYS A C 8 ATOM 10474 O O . LYS A 1 32 ? 17.726 5.392 2.902 1.00 0.00 ? 32 LYS A O 8 ATOM 10475 C CB . LYS A 1 32 ? 14.607 6.242 2.741 1.00 0.00 ? 32 LYS A CB 8 ATOM 10476 C CG . LYS A 1 32 ? 13.687 6.905 1.729 1.00 0.00 ? 32 LYS A CG 8 ATOM 10477 C CD . LYS A 1 32 ? 14.476 7.639 0.657 1.00 0.00 ? 32 LYS A CD 8 ATOM 10478 C CE . LYS A 1 32 ? 13.652 8.747 0.020 1.00 0.00 ? 32 LYS A CE 8 ATOM 10479 N NZ . LYS A 1 32 ? 14.480 9.624 -0.852 1.00 0.00 ? 32 LYS A NZ 8 ATOM 10480 H H . LYS A 1 32 ? 13.809 3.826 2.429 1.00 0.00 ? 32 LYS A H 8 ATOM 10481 H HA . LYS A 1 32 ? 15.837 5.434 1.186 1.00 0.00 ? 32 LYS A HA 8 ATOM 10482 H HB2 . LYS A 1 32 ? 13.998 5.834 3.535 1.00 0.00 ? 32 LYS A HB2 8 ATOM 10483 H HB3 . LYS A 1 32 ? 15.260 6.998 3.152 1.00 0.00 ? 32 LYS A HB3 8 ATOM 10484 H HG2 . LYS A 1 32 ? 13.079 6.147 1.260 1.00 0.00 ? 32 LYS A HG2 8 ATOM 10485 H HG3 . LYS A 1 32 ? 13.051 7.612 2.244 1.00 0.00 ? 32 LYS A HG3 8 ATOM 10486 H HD2 . LYS A 1 32 ? 15.357 8.072 1.105 1.00 0.00 ? 32 LYS A HD2 8 ATOM 10487 H HD3 . LYS A 1 32 ? 14.767 6.934 -0.107 1.00 0.00 ? 32 LYS A HD3 8 ATOM 10488 H HE2 . LYS A 1 32 ? 12.869 8.300 -0.575 1.00 0.00 ? 32 LYS A HE2 8 ATOM 10489 H HE3 . LYS A 1 32 ? 13.211 9.346 0.804 1.00 0.00 ? 32 LYS A HE3 8 ATOM 10490 H HZ1 . LYS A 1 32 ? 15.488 9.498 -0.632 1.00 0.00 ? 32 LYS A HZ1 8 ATOM 10491 H HZ2 . LYS A 1 32 ? 14.324 9.385 -1.852 1.00 0.00 ? 32 LYS A HZ2 8 ATOM 10492 H HZ3 . LYS A 1 32 ? 14.227 10.621 -0.701 1.00 0.00 ? 32 LYS A HZ3 8 ATOM 10493 N N . LYS A 1 33 ? 16.432 3.930 4.023 1.00 0.00 ? 33 LYS A N 8 ATOM 10494 C CA . LYS A 1 33 ? 17.480 3.553 4.962 1.00 0.00 ? 33 LYS A CA 8 ATOM 10495 C C . LYS A 1 33 ? 18.512 2.664 4.279 1.00 0.00 ? 33 LYS A C 8 ATOM 10496 O O . LYS A 1 33 ? 19.697 2.698 4.613 1.00 0.00 ? 33 LYS A O 8 ATOM 10497 C CB . LYS A 1 33 ? 16.880 2.827 6.167 1.00 0.00 ? 33 LYS A CB 8 ATOM 10498 C CG . LYS A 1 33 ? 16.429 3.761 7.277 1.00 0.00 ? 33 LYS A CG 8 ATOM 10499 C CD . LYS A 1 33 ? 15.457 3.075 8.224 1.00 0.00 ? 33 LYS A CD 8 ATOM 10500 C CE . LYS A 1 33 ? 15.992 3.045 9.646 1.00 0.00 ? 33 LYS A CE 8 ATOM 10501 N NZ . LYS A 1 33 ? 17.218 2.208 9.762 1.00 0.00 ? 33 LYS A NZ 8 ATOM 10502 H H . LYS A 1 33 ? 15.550 3.511 4.097 1.00 0.00 ? 33 LYS A H 8 ATOM 10503 H HA . LYS A 1 33 ? 17.965 4.455 5.299 1.00 0.00 ? 33 LYS A HA 8 ATOM 10504 H HB2 . LYS A 1 33 ? 16.025 2.254 5.839 1.00 0.00 ? 33 LYS A HB2 8 ATOM 10505 H HB3 . LYS A 1 33 ? 17.619 2.151 6.572 1.00 0.00 ? 33 LYS A HB3 8 ATOM 10506 H HG2 . LYS A 1 33 ? 17.295 4.083 7.837 1.00 0.00 ? 33 LYS A HG2 8 ATOM 10507 H HG3 . LYS A 1 33 ? 15.944 4.620 6.837 1.00 0.00 ? 33 LYS A HG3 8 ATOM 10508 H HD2 . LYS A 1 33 ? 14.520 3.611 8.214 1.00 0.00 ? 33 LYS A HD2 8 ATOM 10509 H HD3 . LYS A 1 33 ? 15.298 2.061 7.886 1.00 0.00 ? 33 LYS A HD3 8 ATOM 10510 H HE2 . LYS A 1 33 ? 16.227 4.055 9.950 1.00 0.00 ? 33 LYS A HE2 8 ATOM 10511 H HE3 . LYS A 1 33 ? 15.229 2.643 10.295 1.00 0.00 ? 33 LYS A HE3 8 ATOM 10512 H HZ1 . LYS A 1 33 ? 17.050 1.268 9.348 1.00 0.00 ? 33 LYS A HZ1 8 ATOM 10513 H HZ2 . LYS A 1 33 ? 18.009 2.660 9.257 1.00 0.00 ? 33 LYS A HZ2 8 ATOM 10514 H HZ3 . LYS A 1 33 ? 17.479 2.092 10.762 1.00 0.00 ? 33 LYS A HZ3 8 ATOM 10515 N N . LEU A 1 34 ? 18.053 1.871 3.315 1.00 0.00 ? 34 LEU A N 8 ATOM 10516 C CA . LEU A 1 34 ? 18.936 0.977 2.578 1.00 0.00 ? 34 LEU A CA 8 ATOM 10517 C C . LEU A 1 34 ? 19.856 1.772 1.659 1.00 0.00 ? 34 LEU A C 8 ATOM 10518 O O . LEU A 1 34 ? 21.048 1.482 1.554 1.00 0.00 ? 34 LEU A O 8 ATOM 10519 C CB . LEU A 1 34 ? 18.117 -0.021 1.756 1.00 0.00 ? 34 LEU A CB 8 ATOM 10520 C CG . LEU A 1 34 ? 18.556 -1.487 1.867 1.00 0.00 ? 34 LEU A CG 8 ATOM 10521 C CD1 . LEU A 1 34 ? 20.074 -1.605 1.863 1.00 0.00 ? 34 LEU A CD1 8 ATOM 10522 C CD2 . LEU A 1 34 ? 17.974 -2.121 3.121 1.00 0.00 ? 34 LEU A CD2 8 ATOM 10523 H H . LEU A 1 34 ? 17.098 1.893 3.092 1.00 0.00 ? 34 LEU A H 8 ATOM 10524 H HA . LEU A 1 34 ? 19.537 0.436 3.294 1.00 0.00 ? 34 LEU A HA 8 ATOM 10525 H HB2 . LEU A 1 34 ? 17.086 0.047 2.073 1.00 0.00 ? 34 LEU A HB2 8 ATOM 10526 H HB3 . LEU A 1 34 ? 18.175 0.269 0.718 1.00 0.00 ? 34 LEU A HB3 8 ATOM 10527 H HG . LEU A 1 34 ? 18.179 -2.031 1.013 1.00 0.00 ? 34 LEU A HG 8 ATOM 10528 H HD11 . LEU A 1 34 ? 20.511 -0.636 1.670 1.00 0.00 ? 34 LEU A HD11 8 ATOM 10529 H HD12 . LEU A 1 34 ? 20.409 -1.965 2.824 1.00 0.00 ? 34 LEU A HD12 8 ATOM 10530 H HD13 . LEU A 1 34 ? 20.379 -2.296 1.093 1.00 0.00 ? 34 LEU A HD13 8 ATOM 10531 H HD21 . LEU A 1 34 ? 17.254 -1.449 3.564 1.00 0.00 ? 34 LEU A HD21 8 ATOM 10532 H HD22 . LEU A 1 34 ? 17.487 -3.050 2.860 1.00 0.00 ? 34 LEU A HD22 8 ATOM 10533 H HD23 . LEU A 1 34 ? 18.768 -2.316 3.827 1.00 0.00 ? 34 LEU A HD23 8 ATOM 10534 N N . LYS A 1 35 ? 19.294 2.779 0.996 1.00 0.00 ? 35 LYS A N 8 ATOM 10535 C CA . LYS A 1 35 ? 20.066 3.618 0.086 1.00 0.00 ? 35 LYS A CA 8 ATOM 10536 C C . LYS A 1 35 ? 21.129 4.404 0.845 1.00 0.00 ? 35 LYS A C 8 ATOM 10537 O O . LYS A 1 35 ? 22.250 4.576 0.365 1.00 0.00 ? 35 LYS A O 8 ATOM 10538 C CB . LYS A 1 35 ? 19.141 4.579 -0.663 1.00 0.00 ? 35 LYS A CB 8 ATOM 10539 C CG . LYS A 1 35 ? 19.467 4.708 -2.142 1.00 0.00 ? 35 LYS A CG 8 ATOM 10540 C CD . LYS A 1 35 ? 19.423 3.360 -2.843 1.00 0.00 ? 35 LYS A CD 8 ATOM 10541 C CE . LYS A 1 35 ? 18.606 3.425 -4.123 1.00 0.00 ? 35 LYS A CE 8 ATOM 10542 N NZ . LYS A 1 35 ? 19.408 3.938 -5.268 1.00 0.00 ? 35 LYS A NZ 8 ATOM 10543 H H . LYS A 1 35 ? 18.338 2.961 1.122 1.00 0.00 ? 35 LYS A H 8 ATOM 10544 H HA . LYS A 1 35 ? 20.553 2.971 -0.628 1.00 0.00 ? 35 LYS A HA 8 ATOM 10545 H HB2 . LYS A 1 35 ? 18.124 4.228 -0.570 1.00 0.00 ? 35 LYS A HB2 8 ATOM 10546 H HB3 . LYS A 1 35 ? 19.217 5.557 -0.212 1.00 0.00 ? 35 LYS A HB3 8 ATOM 10547 H HG2 . LYS A 1 35 ? 18.747 5.367 -2.604 1.00 0.00 ? 35 LYS A HG2 8 ATOM 10548 H HG3 . LYS A 1 35 ? 20.458 5.126 -2.246 1.00 0.00 ? 35 LYS A HG3 8 ATOM 10549 H HD2 . LYS A 1 35 ? 20.429 3.058 -3.085 1.00 0.00 ? 35 LYS A HD2 8 ATOM 10550 H HD3 . LYS A 1 35 ? 18.977 2.635 -2.177 1.00 0.00 ? 35 LYS A HD3 8 ATOM 10551 H HE2 . LYS A 1 35 ? 18.250 2.433 -4.359 1.00 0.00 ? 35 LYS A HE2 8 ATOM 10552 H HE3 . LYS A 1 35 ? 17.762 4.081 -3.964 1.00 0.00 ? 35 LYS A HE3 8 ATOM 10553 H HZ1 . LYS A 1 35 ? 19.909 4.806 -4.993 1.00 0.00 ? 35 LYS A HZ1 8 ATOM 10554 H HZ2 . LYS A 1 35 ? 20.106 3.225 -5.562 1.00 0.00 ? 35 LYS A HZ2 8 ATOM 10555 H HZ3 . LYS A 1 35 ? 18.786 4.150 -6.073 1.00 0.00 ? 35 LYS A HZ3 8 ATOM 10556 N N . GLN A 1 36 ? 20.771 4.878 2.034 1.00 0.00 ? 36 GLN A N 8 ATOM 10557 C CA . GLN A 1 36 ? 21.696 5.645 2.860 1.00 0.00 ? 36 GLN A CA 8 ATOM 10558 C C . GLN A 1 36 ? 22.727 4.731 3.514 1.00 0.00 ? 36 GLN A C 8 ATOM 10559 O O . GLN A 1 36 ? 23.832 5.162 3.844 1.00 0.00 ? 36 GLN A O 8 ATOM 10560 C CB . GLN A 1 36 ? 20.931 6.421 3.933 1.00 0.00 ? 36 GLN A CB 8 ATOM 10561 C CG . GLN A 1 36 ? 21.832 7.145 4.920 1.00 0.00 ? 36 GLN A CG 8 ATOM 10562 C CD . GLN A 1 36 ? 21.215 8.428 5.441 1.00 0.00 ? 36 GLN A CD 8 ATOM 10563 O OE1 . GLN A 1 36 ? 20.030 8.471 5.770 1.00 0.00 ? 36 GLN A OE1 8 ATOM 10564 N NE2 . GLN A 1 36 ? 22.018 9.483 5.518 1.00 0.00 ? 36 GLN A NE2 8 ATOM 10565 H H . GLN A 1 36 ? 19.864 4.708 2.364 1.00 0.00 ? 36 GLN A H 8 ATOM 10566 H HA . GLN A 1 36 ? 22.210 6.346 2.219 1.00 0.00 ? 36 GLN A HA 8 ATOM 10567 H HB2 . GLN A 1 36 ? 20.300 7.154 3.451 1.00 0.00 ? 36 GLN A HB2 8 ATOM 10568 H HB3 . GLN A 1 36 ? 20.309 5.733 4.485 1.00 0.00 ? 36 GLN A HB3 8 ATOM 10569 H HG2 . GLN A 1 36 ? 22.027 6.492 5.757 1.00 0.00 ? 36 GLN A HG2 8 ATOM 10570 H HG3 . GLN A 1 36 ? 22.764 7.385 4.427 1.00 0.00 ? 36 GLN A HG3 8 ATOM 10571 H HE21 . GLN A 1 36 ? 22.951 9.376 5.239 1.00 0.00 ? 36 GLN A HE21 8 ATOM 10572 H HE22 . GLN A 1 36 ? 21.644 10.326 5.851 1.00 0.00 ? 36 GLN A HE22 8 ATOM 10573 N N . SER A 1 37 ? 22.359 3.468 3.696 1.00 0.00 ? 37 SER A N 8 ATOM 10574 C CA . SER A 1 37 ? 23.252 2.492 4.310 1.00 0.00 ? 37 SER A CA 8 ATOM 10575 C C . SER A 1 37 ? 24.267 1.971 3.296 1.00 0.00 ? 37 SER A C 8 ATOM 10576 O O . SER A 1 37 ? 25.354 1.529 3.664 1.00 0.00 ? 37 SER A O 8 ATOM 10577 C CB . SER A 1 37 ? 22.448 1.326 4.890 1.00 0.00 ? 37 SER A CB 8 ATOM 10578 O OG . SER A 1 37 ? 22.254 1.484 6.284 1.00 0.00 ? 37 SER A OG 8 ATOM 10579 H H . SER A 1 37 ? 21.465 3.184 3.410 1.00 0.00 ? 37 SER A H 8 ATOM 10580 H HA . SER A 1 37 ? 23.782 2.986 5.111 1.00 0.00 ? 37 SER A HA 8 ATOM 10581 H HB2 . SER A 1 37 ? 21.483 1.283 4.407 1.00 0.00 ? 37 SER A HB2 8 ATOM 10582 H HB3 . SER A 1 37 ? 22.980 0.403 4.714 1.00 0.00 ? 37 SER A HB3 8 ATOM 10583 H HG . SER A 1 37 ? 22.493 0.671 6.735 1.00 0.00 ? 37 SER A HG 8 ATOM 10584 N N . GLU A 1 38 ? 23.903 2.028 2.019 1.00 0.00 ? 38 GLU A N 8 ATOM 10585 C CA . GLU A 1 38 ? 24.783 1.563 0.954 1.00 0.00 ? 38 GLU A CA 8 ATOM 10586 C C . GLU A 1 38 ? 25.883 2.581 0.675 1.00 0.00 ? 38 GLU A C 8 ATOM 10587 O O . GLU A 1 38 ? 26.960 2.230 0.193 1.00 0.00 ? 38 GLU A O 8 ATOM 10588 C CB . GLU A 1 38 ? 23.979 1.302 -0.322 1.00 0.00 ? 38 GLU A CB 8 ATOM 10589 C CG . GLU A 1 38 ? 24.159 -0.102 -0.877 1.00 0.00 ? 38 GLU A CG 8 ATOM 10590 C CD . GLU A 1 38 ? 23.334 -0.346 -2.125 1.00 0.00 ? 38 GLU A CD 8 ATOM 10591 O OE1 . GLU A 1 38 ? 23.313 0.541 -3.004 1.00 0.00 ? 38 GLU A OE1 8 ATOM 10592 O OE2 . GLU A 1 38 ? 22.709 -1.423 -2.224 1.00 0.00 ? 38 GLU A OE2 8 ATOM 10593 H H . GLU A 1 38 ? 23.024 2.393 1.788 1.00 0.00 ? 38 GLU A H 8 ATOM 10594 H HA . GLU A 1 38 ? 25.237 0.639 1.278 1.00 0.00 ? 38 GLU A HA 8 ATOM 10595 H HB2 . GLU A 1 38 ? 22.931 1.450 -0.110 1.00 0.00 ? 38 GLU A HB2 8 ATOM 10596 H HB3 . GLU A 1 38 ? 24.289 2.007 -1.079 1.00 0.00 ? 38 GLU A HB3 8 ATOM 10597 H HG2 . GLU A 1 38 ? 25.202 -0.250 -1.118 1.00 0.00 ? 38 GLU A HG2 8 ATOM 10598 H HG3 . GLU A 1 38 ? 23.861 -0.815 -0.121 1.00 0.00 ? 38 GLU A HG3 8 ATOM 10599 N N . ASP A 1 39 ? 25.605 3.845 0.982 1.00 0.00 ? 39 ASP A N 8 ATOM 10600 C CA . ASP A 1 39 ? 26.573 4.914 0.766 1.00 0.00 ? 39 ASP A CA 8 ATOM 10601 C C . ASP A 1 39 ? 27.704 4.837 1.785 1.00 0.00 ? 39 ASP A C 8 ATOM 10602 O O . ASP A 1 39 ? 28.829 5.258 1.512 1.00 0.00 ? 39 ASP A O 8 ATOM 10603 C CB . ASP A 1 39 ? 25.885 6.277 0.853 1.00 0.00 ? 39 ASP A CB 8 ATOM 10604 C CG . ASP A 1 39 ? 26.421 7.261 -0.170 1.00 0.00 ? 39 ASP A CG 8 ATOM 10605 O OD1 . ASP A 1 39 ? 27.582 7.098 -0.599 1.00 0.00 ? 39 ASP A OD1 8 ATOM 10606 O OD2 . ASP A 1 39 ? 25.679 8.195 -0.541 1.00 0.00 ? 39 ASP A OD2 8 ATOM 10607 H H . ASP A 1 39 ? 24.729 4.062 1.365 1.00 0.00 ? 39 ASP A H 8 ATOM 10608 H HA . ASP A 1 39 ? 26.986 4.792 -0.223 1.00 0.00 ? 39 ASP A HA 8 ATOM 10609 H HB2 . ASP A 1 39 ? 24.826 6.151 0.681 1.00 0.00 ? 39 ASP A HB2 8 ATOM 10610 H HB3 . ASP A 1 39 ? 26.039 6.690 1.839 1.00 0.00 ? 39 ASP A HB3 8 ATOM 10611 N N . ASP A 1 40 ? 27.401 4.296 2.960 1.00 0.00 ? 40 ASP A N 8 ATOM 10612 C CA . ASP A 1 40 ? 28.394 4.164 4.020 1.00 0.00 ? 40 ASP A CA 8 ATOM 10613 C C . ASP A 1 40 ? 29.103 5.490 4.270 1.00 0.00 ? 40 ASP A C 8 ATOM 10614 O O . ASP A 1 40 ? 30.159 5.758 3.697 1.00 0.00 ? 40 ASP A O 8 ATOM 10615 C CB . ASP A 1 40 ? 29.417 3.085 3.657 1.00 0.00 ? 40 ASP A CB 8 ATOM 10616 C CG . ASP A 1 40 ? 28.836 1.687 3.739 1.00 0.00 ? 40 ASP A CG 8 ATOM 10617 O OD1 . ASP A 1 40 ? 28.412 1.283 4.843 1.00 0.00 ? 40 ASP A OD1 8 ATOM 10618 O OD2 . ASP A 1 40 ? 28.806 0.994 2.700 1.00 0.00 ? 40 ASP A OD2 8 ATOM 10619 H H . ASP A 1 40 ? 26.488 3.978 3.118 1.00 0.00 ? 40 ASP A H 8 ATOM 10620 H HA . ASP A 1 40 ? 27.878 3.869 4.922 1.00 0.00 ? 40 ASP A HA 8 ATOM 10621 H HB2 . ASP A 1 40 ? 29.764 3.252 2.649 1.00 0.00 ? 40 ASP A HB2 8 ATOM 10622 H HB3 . ASP A 1 40 ? 30.253 3.148 4.338 1.00 0.00 ? 40 ASP A HB3 8 ATOM 10623 N N . ASP A 1 41 ? 28.515 6.317 5.128 1.00 0.00 ? 41 ASP A N 8 ATOM 10624 C CA . ASP A 1 41 ? 29.090 7.616 5.453 1.00 0.00 ? 41 ASP A CA 8 ATOM 10625 C C . ASP A 1 41 ? 29.145 7.825 6.964 1.00 0.00 ? 41 ASP A C 8 ATOM 10626 O O . ASP A 1 41 ? 30.088 8.495 7.435 1.00 0.00 ? 41 ASP A O 8 ATOM 10627 C CB . ASP A 1 41 ? 28.278 8.736 4.800 1.00 0.00 ? 41 ASP A CB 8 ATOM 10628 C CG . ASP A 1 41 ? 26.786 8.473 4.850 1.00 0.00 ? 41 ASP A CG 8 ATOM 10629 O OD1 . ASP A 1 41 ? 26.236 8.381 5.968 1.00 0.00 ? 41 ASP A OD1 8 ATOM 10630 O OD2 . ASP A 1 41 ? 26.166 8.361 3.772 1.00 0.00 ? 41 ASP A OD2 8 ATOM 10631 O OXT . ASP A 1 41 ? 28.241 7.318 7.662 1.00 0.00 ? 41 ASP A OXT 8 ATOM 10632 H H . ASP A 1 41 ? 27.674 6.047 5.552 1.00 0.00 ? 41 ASP A H 8 ATOM 10633 H HA . ASP A 1 41 ? 30.097 7.640 5.063 1.00 0.00 ? 41 ASP A HA 8 ATOM 10634 H HB2 . ASP A 1 41 ? 28.478 9.665 5.314 1.00 0.00 ? 41 ASP A HB2 8 ATOM 10635 H HB3 . ASP A 1 41 ? 28.575 8.832 3.766 1.00 0.00 ? 41 ASP A HB3 8 ATOM 10636 N N . ALA B 1 1 ? 29.022 -14.912 0.475 1.00 0.00 ? 1 ALA B N 8 ATOM 10637 C CA . ALA B 1 1 ? 27.892 -13.996 0.781 1.00 0.00 ? 1 ALA B CA 8 ATOM 10638 C C . ALA B 1 1 ? 28.325 -12.538 0.671 1.00 0.00 ? 1 ALA B C 8 ATOM 10639 O O . ALA B 1 1 ? 28.474 -11.847 1.679 1.00 0.00 ? 1 ALA B O 8 ATOM 10640 C CB . ALA B 1 1 ? 27.344 -14.281 2.170 1.00 0.00 ? 1 ALA B CB 8 ATOM 10641 H H1 . ALA B 1 1 ? 29.457 -14.592 -0.414 1.00 0.00 ? 1 ALA B H1 8 ATOM 10642 H H2 . ALA B 1 1 ? 29.696 -14.857 1.264 1.00 0.00 ? 1 ALA B H2 8 ATOM 10643 H H3 . ALA B 1 1 ? 28.635 -15.872 0.380 1.00 0.00 ? 1 ALA B H3 8 ATOM 10644 H HA . ALA B 1 1 ? 27.103 -14.179 0.065 1.00 0.00 ? 1 ALA B HA 8 ATOM 10645 H HB1 . ALA B 1 1 ? 27.754 -13.569 2.872 1.00 0.00 ? 1 ALA B HB1 8 ATOM 10646 H HB2 . ALA B 1 1 ? 26.267 -14.193 2.158 1.00 0.00 ? 1 ALA B HB2 8 ATOM 10647 H HB3 . ALA B 1 1 ? 27.620 -15.281 2.469 1.00 0.00 ? 1 ALA B HB3 8 ATOM 10648 N N . LEU B 1 2 ? 28.526 -12.077 -0.559 1.00 0.00 ? 2 LEU B N 8 ATOM 10649 C CA . LEU B 1 2 ? 28.943 -10.700 -0.801 1.00 0.00 ? 2 LEU B CA 8 ATOM 10650 C C . LEU B 1 2 ? 27.871 -9.718 -0.340 1.00 0.00 ? 2 LEU B C 8 ATOM 10651 O O . LEU B 1 2 ? 26.818 -10.121 0.156 1.00 0.00 ? 2 LEU B O 8 ATOM 10652 C CB . LEU B 1 2 ? 29.240 -10.488 -2.287 1.00 0.00 ? 2 LEU B CB 8 ATOM 10653 C CG . LEU B 1 2 ? 29.864 -11.689 -2.999 1.00 0.00 ? 2 LEU B CG 8 ATOM 10654 C CD1 . LEU B 1 2 ? 28.835 -12.387 -3.874 1.00 0.00 ? 2 LEU B CD1 8 ATOM 10655 C CD2 . LEU B 1 2 ? 31.062 -11.250 -3.830 1.00 0.00 ? 2 LEU B CD2 8 ATOM 10656 H H . LEU B 1 2 ? 28.392 -12.677 -1.322 1.00 0.00 ? 2 LEU B H 8 ATOM 10657 H HA . LEU B 1 2 ? 29.845 -10.522 -0.234 1.00 0.00 ? 2 LEU B HA 8 ATOM 10658 H HB2 . LEU B 1 2 ? 28.313 -10.243 -2.785 1.00 0.00 ? 2 LEU B HB2 8 ATOM 10659 H HB3 . LEU B 1 2 ? 29.914 -9.651 -2.382 1.00 0.00 ? 2 LEU B HB3 8 ATOM 10660 H HG . LEU B 1 2 ? 30.210 -12.397 -2.261 1.00 0.00 ? 2 LEU B HG 8 ATOM 10661 H HD11 . LEU B 1 2 ? 28.137 -11.658 -4.260 1.00 0.00 ? 2 LEU B HD11 8 ATOM 10662 H HD12 . LEU B 1 2 ? 29.334 -12.879 -4.695 1.00 0.00 ? 2 LEU B HD12 8 ATOM 10663 H HD13 . LEU B 1 2 ? 28.301 -13.119 -3.286 1.00 0.00 ? 2 LEU B HD13 8 ATOM 10664 H HD21 . LEU B 1 2 ? 30.796 -10.381 -4.413 1.00 0.00 ? 2 LEU B HD21 8 ATOM 10665 H HD22 . LEU B 1 2 ? 31.884 -11.005 -3.173 1.00 0.00 ? 2 LEU B HD22 8 ATOM 10666 H HD23 . LEU B 1 2 ? 31.355 -12.052 -4.490 1.00 0.00 ? 2 LEU B HD23 8 ATOM 10667 N N . LYS B 1 3 ? 28.145 -8.429 -0.507 1.00 0.00 ? 3 LYS B N 8 ATOM 10668 C CA . LYS B 1 3 ? 27.204 -7.389 -0.108 1.00 0.00 ? 3 LYS B CA 8 ATOM 10669 C C . LYS B 1 3 ? 26.338 -6.957 -1.287 1.00 0.00 ? 3 LYS B C 8 ATOM 10670 O O . LYS B 1 3 ? 25.826 -5.837 -1.316 1.00 0.00 ? 3 LYS B O 8 ATOM 10671 C CB . LYS B 1 3 ? 27.955 -6.182 0.459 1.00 0.00 ? 3 LYS B CB 8 ATOM 10672 C CG . LYS B 1 3 ? 27.650 -5.908 1.923 1.00 0.00 ? 3 LYS B CG 8 ATOM 10673 C CD . LYS B 1 3 ? 27.757 -7.174 2.759 1.00 0.00 ? 3 LYS B CD 8 ATOM 10674 C CE . LYS B 1 3 ? 28.062 -6.855 4.214 1.00 0.00 ? 3 LYS B CE 8 ATOM 10675 N NZ . LYS B 1 3 ? 26.887 -7.099 5.094 1.00 0.00 ? 3 LYS B NZ 8 ATOM 10676 H H . LYS B 1 3 ? 29.001 -8.170 -0.908 1.00 0.00 ? 3 LYS B H 8 ATOM 10677 H HA . LYS B 1 3 ? 26.566 -7.798 0.661 1.00 0.00 ? 3 LYS B HA 8 ATOM 10678 H HB2 . LYS B 1 3 ? 29.016 -6.354 0.360 1.00 0.00 ? 3 LYS B HB2 8 ATOM 10679 H HB3 . LYS B 1 3 ? 27.687 -5.304 -0.112 1.00 0.00 ? 3 LYS B HB3 8 ATOM 10680 H HG2 . LYS B 1 3 ? 28.354 -5.181 2.298 1.00 0.00 ? 3 LYS B HG2 8 ATOM 10681 H HG3 . LYS B 1 3 ? 26.647 -5.518 2.004 1.00 0.00 ? 3 LYS B HG3 8 ATOM 10682 H HD2 . LYS B 1 3 ? 26.821 -7.709 2.708 1.00 0.00 ? 3 LYS B HD2 8 ATOM 10683 H HD3 . LYS B 1 3 ? 28.550 -7.790 2.362 1.00 0.00 ? 3 LYS B HD3 8 ATOM 10684 H HE2 . LYS B 1 3 ? 28.881 -7.477 4.542 1.00 0.00 ? 3 LYS B HE2 8 ATOM 10685 H HE3 . LYS B 1 3 ? 28.348 -5.816 4.289 1.00 0.00 ? 3 LYS B HE3 8 ATOM 10686 H HZ1 . LYS B 1 3 ? 26.435 -8.002 4.844 1.00 0.00 ? 3 LYS B HZ1 8 ATOM 10687 H HZ2 . LYS B 1 3 ? 27.187 -7.139 6.089 1.00 0.00 ? 3 LYS B HZ2 8 ATOM 10688 H HZ3 . LYS B 1 3 ? 26.192 -6.333 4.984 1.00 0.00 ? 3 LYS B HZ3 8 ATOM 10689 N N . LYS B 1 4 ? 26.178 -7.850 -2.258 1.00 0.00 ? 4 LYS B N 8 ATOM 10690 C CA . LYS B 1 4 ? 25.373 -7.560 -3.438 1.00 0.00 ? 4 LYS B CA 8 ATOM 10691 C C . LYS B 1 4 ? 23.889 -7.758 -3.147 1.00 0.00 ? 4 LYS B C 8 ATOM 10692 O O . LYS B 1 4 ? 23.040 -7.043 -3.680 1.00 0.00 ? 4 LYS B O 8 ATOM 10693 C CB . LYS B 1 4 ? 25.798 -8.453 -4.604 1.00 0.00 ? 4 LYS B CB 8 ATOM 10694 C CG . LYS B 1 4 ? 24.994 -8.223 -5.873 1.00 0.00 ? 4 LYS B CG 8 ATOM 10695 C CD . LYS B 1 4 ? 23.873 -9.240 -6.014 1.00 0.00 ? 4 LYS B CD 8 ATOM 10696 C CE . LYS B 1 4 ? 24.364 -10.521 -6.670 1.00 0.00 ? 4 LYS B CE 8 ATOM 10697 N NZ . LYS B 1 4 ? 23.257 -11.493 -6.888 1.00 0.00 ? 4 LYS B NZ 8 ATOM 10698 H H . LYS B 1 4 ? 26.610 -8.727 -2.178 1.00 0.00 ? 4 LYS B H 8 ATOM 10699 H HA . LYS B 1 4 ? 25.540 -6.527 -3.707 1.00 0.00 ? 4 LYS B HA 8 ATOM 10700 H HB2 . LYS B 1 4 ? 26.839 -8.266 -4.825 1.00 0.00 ? 4 LYS B HB2 8 ATOM 10701 H HB3 . LYS B 1 4 ? 25.682 -9.486 -4.313 1.00 0.00 ? 4 LYS B HB3 8 ATOM 10702 H HG2 . LYS B 1 4 ? 24.564 -7.232 -5.840 1.00 0.00 ? 4 LYS B HG2 8 ATOM 10703 H HG3 . LYS B 1 4 ? 25.652 -8.304 -6.725 1.00 0.00 ? 4 LYS B HG3 8 ATOM 10704 H HD2 . LYS B 1 4 ? 23.488 -9.475 -5.033 1.00 0.00 ? 4 LYS B HD2 8 ATOM 10705 H HD3 . LYS B 1 4 ? 23.086 -8.814 -6.619 1.00 0.00 ? 4 LYS B HD3 8 ATOM 10706 H HE2 . LYS B 1 4 ? 24.806 -10.275 -7.625 1.00 0.00 ? 4 LYS B HE2 8 ATOM 10707 H HE3 . LYS B 1 4 ? 25.110 -10.974 -6.034 1.00 0.00 ? 4 LYS B HE3 8 ATOM 10708 H HZ1 . LYS B 1 4 ? 22.421 -11.213 -6.335 1.00 0.00 ? 4 LYS B HZ1 8 ATOM 10709 H HZ2 . LYS B 1 4 ? 22.999 -11.522 -7.895 1.00 0.00 ? 4 LYS B HZ2 8 ATOM 10710 H HZ3 . LYS B 1 4 ? 23.552 -12.444 -6.590 1.00 0.00 ? 4 LYS B HZ3 8 ATOM 10711 N N . HIS B 1 5 ? 23.584 -8.732 -2.296 1.00 0.00 ? 5 HIS B N 8 ATOM 10712 C CA . HIS B 1 5 ? 22.203 -9.025 -1.933 1.00 0.00 ? 5 HIS B CA 8 ATOM 10713 C C . HIS B 1 5 ? 21.478 -7.760 -1.483 1.00 0.00 ? 5 HIS B C 8 ATOM 10714 O O . HIS B 1 5 ? 20.253 -7.670 -1.571 1.00 0.00 ? 5 HIS B O 8 ATOM 10715 C CB . HIS B 1 5 ? 22.155 -10.075 -0.822 1.00 0.00 ? 5 HIS B CB 8 ATOM 10716 C CG . HIS B 1 5 ? 23.068 -9.772 0.326 1.00 0.00 ? 5 HIS B CG 8 ATOM 10717 N ND1 . HIS B 1 5 ? 24.024 -10.656 0.781 1.00 0.00 ? 5 HIS B ND1 8 ATOM 10718 C CD2 . HIS B 1 5 ? 23.166 -8.674 1.115 1.00 0.00 ? 5 HIS B CD2 8 ATOM 10719 C CE1 . HIS B 1 5 ? 24.671 -10.115 1.800 1.00 0.00 ? 5 HIS B CE1 8 ATOM 10720 N NE2 . HIS B 1 5 ? 24.169 -8.915 2.021 1.00 0.00 ? 5 HIS B NE2 8 ATOM 10721 H H . HIS B 1 5 ? 24.304 -9.268 -1.903 1.00 0.00 ? 5 HIS B H 8 ATOM 10722 H HA . HIS B 1 5 ? 21.706 -9.418 -2.808 1.00 0.00 ? 5 HIS B HA 8 ATOM 10723 H HB2 . HIS B 1 5 ? 21.149 -10.137 -0.437 1.00 0.00 ? 5 HIS B HB2 8 ATOM 10724 H HB3 . HIS B 1 5 ? 22.440 -11.033 -1.230 1.00 0.00 ? 5 HIS B HB3 8 ATOM 10725 H HD1 . HIS B 1 5 ? 24.202 -11.546 0.414 1.00 0.00 ? 5 HIS B HD1 8 ATOM 10726 H HD2 . HIS B 1 5 ? 22.568 -7.778 1.044 1.00 0.00 ? 5 HIS B HD2 8 ATOM 10727 H HE1 . HIS B 1 5 ? 25.473 -10.577 2.356 1.00 0.00 ? 5 HIS B HE1 8 ATOM 10728 H HE2 . HIS B 1 5 ? 24.468 -8.296 2.720 1.00 0.00 ? 5 HIS B HE2 8 ATOM 10729 N N . HIS B 1 6 ? 22.242 -6.782 -1.004 1.00 0.00 ? 6 HIS B N 8 ATOM 10730 C CA . HIS B 1 6 ? 21.670 -5.523 -0.543 1.00 0.00 ? 6 HIS B CA 8 ATOM 10731 C C . HIS B 1 6 ? 21.020 -4.767 -1.697 1.00 0.00 ? 6 HIS B C 8 ATOM 10732 O O . HIS B 1 6 ? 19.887 -4.299 -1.583 1.00 0.00 ? 6 HIS B O 8 ATOM 10733 C CB . HIS B 1 6 ? 22.749 -4.656 0.108 1.00 0.00 ? 6 HIS B CB 8 ATOM 10734 C CG . HIS B 1 6 ? 22.677 -4.634 1.603 1.00 0.00 ? 6 HIS B CG 8 ATOM 10735 N ND1 . HIS B 1 6 ? 22.009 -5.591 2.339 1.00 0.00 ? 6 HIS B ND1 8 ATOM 10736 C CD2 . HIS B 1 6 ? 23.194 -3.763 2.503 1.00 0.00 ? 6 HIS B CD2 8 ATOM 10737 C CE1 . HIS B 1 6 ? 22.118 -5.310 3.625 1.00 0.00 ? 6 HIS B CE1 8 ATOM 10738 N NE2 . HIS B 1 6 ? 22.832 -4.207 3.751 1.00 0.00 ? 6 HIS B NE2 8 ATOM 10739 H H . HIS B 1 6 ? 23.212 -6.912 -0.960 1.00 0.00 ? 6 HIS B H 8 ATOM 10740 H HA . HIS B 1 6 ? 20.914 -5.753 0.191 1.00 0.00 ? 6 HIS B HA 8 ATOM 10741 H HB2 . HIS B 1 6 ? 23.721 -5.033 -0.172 1.00 0.00 ? 6 HIS B HB2 8 ATOM 10742 H HB3 . HIS B 1 6 ? 22.646 -3.640 -0.247 1.00 0.00 ? 6 HIS B HB3 8 ATOM 10743 H HD1 . HIS B 1 6 ? 21.527 -6.361 1.972 1.00 0.00 ? 6 HIS B HD1 8 ATOM 10744 H HD2 . HIS B 1 6 ? 23.782 -2.884 2.279 1.00 0.00 ? 6 HIS B HD2 8 ATOM 10745 H HE1 . HIS B 1 6 ? 21.696 -5.884 4.436 1.00 0.00 ? 6 HIS B HE1 8 ATOM 10746 H HE2 . HIS B 1 6 ? 23.065 -3.776 4.599 1.00 0.00 ? 6 HIS B HE2 8 ATOM 10747 N N . GLU B 1 7 ? 21.740 -4.657 -2.808 1.00 0.00 ? 7 GLU B N 8 ATOM 10748 C CA . GLU B 1 7 ? 21.228 -3.961 -3.982 1.00 0.00 ? 7 GLU B CA 8 ATOM 10749 C C . GLU B 1 7 ? 19.911 -4.577 -4.443 1.00 0.00 ? 7 GLU B C 8 ATOM 10750 O O . GLU B 1 7 ? 19.089 -3.915 -5.075 1.00 0.00 ? 7 GLU B O 8 ATOM 10751 C CB . GLU B 1 7 ? 22.253 -4.005 -5.117 1.00 0.00 ? 7 GLU B CB 8 ATOM 10752 C CG . GLU B 1 7 ? 22.136 -2.842 -6.088 1.00 0.00 ? 7 GLU B CG 8 ATOM 10753 C CD . GLU B 1 7 ? 22.690 -3.170 -7.460 1.00 0.00 ? 7 GLU B CD 8 ATOM 10754 O OE1 . GLU B 1 7 ? 23.542 -4.079 -7.555 1.00 0.00 ? 7 GLU B OE1 8 ATOM 10755 O OE2 . GLU B 1 7 ? 22.273 -2.519 -8.441 1.00 0.00 ? 7 GLU B OE2 8 ATOM 10756 H H . GLU B 1 7 ? 22.635 -5.053 -2.841 1.00 0.00 ? 7 GLU B H 8 ATOM 10757 H HA . GLU B 1 7 ? 21.050 -2.931 -3.707 1.00 0.00 ? 7 GLU B HA 8 ATOM 10758 H HB2 . GLU B 1 7 ? 23.245 -3.993 -4.691 1.00 0.00 ? 7 GLU B HB2 8 ATOM 10759 H HB3 . GLU B 1 7 ? 22.119 -4.923 -5.671 1.00 0.00 ? 7 GLU B HB3 8 ATOM 10760 H HG2 . GLU B 1 7 ? 21.094 -2.579 -6.192 1.00 0.00 ? 7 GLU B HG2 8 ATOM 10761 H HG3 . GLU B 1 7 ? 22.682 -2.000 -5.687 1.00 0.00 ? 7 GLU B HG3 8 ATOM 10762 N N . ASN B 1 8 ? 19.714 -5.850 -4.117 1.00 0.00 ? 8 ASN B N 8 ATOM 10763 C CA . ASN B 1 8 ? 18.493 -6.550 -4.492 1.00 0.00 ? 8 ASN B CA 8 ATOM 10764 C C . ASN B 1 8 ? 17.324 -6.054 -3.654 1.00 0.00 ? 8 ASN B C 8 ATOM 10765 O O . ASN B 1 8 ? 16.334 -5.551 -4.186 1.00 0.00 ? 8 ASN B O 8 ATOM 10766 C CB . ASN B 1 8 ? 18.665 -8.060 -4.314 1.00 0.00 ? 8 ASN B CB 8 ATOM 10767 C CG . ASN B 1 8 ? 19.357 -8.706 -5.498 1.00 0.00 ? 8 ASN B CG 8 ATOM 10768 O OD1 . ASN B 1 8 ? 20.079 -8.047 -6.247 1.00 0.00 ? 8 ASN B OD1 8 ATOM 10769 N ND2 . ASN B 1 8 ? 19.141 -10.005 -5.674 1.00 0.00 ? 8 ASN B ND2 8 ATOM 10770 H H . ASN B 1 8 ? 20.402 -6.326 -3.607 1.00 0.00 ? 8 ASN B H 8 ATOM 10771 H HA . ASN B 1 8 ? 18.292 -6.335 -5.531 1.00 0.00 ? 8 ASN B HA 8 ATOM 10772 H HB2 . ASN B 1 8 ? 19.254 -8.248 -3.430 1.00 0.00 ? 8 ASN B HB2 8 ATOM 10773 H HB3 . ASN B 1 8 ? 17.691 -8.515 -4.198 1.00 0.00 ? 8 ASN B HB3 8 ATOM 10774 H HD21 . ASN B 1 8 ? 18.553 -10.466 -5.039 1.00 0.00 ? 8 ASN B HD21 8 ATOM 10775 H HD22 . ASN B 1 8 ? 19.576 -10.449 -6.432 1.00 0.00 ? 8 ASN B HD22 8 ATOM 10776 N N . GLU B 1 9 ? 17.451 -6.182 -2.338 1.00 0.00 ? 9 GLU B N 8 ATOM 10777 C CA . GLU B 1 9 ? 16.409 -5.727 -1.430 1.00 0.00 ? 9 GLU B CA 8 ATOM 10778 C C . GLU B 1 9 ? 16.123 -4.244 -1.651 1.00 0.00 ? 9 GLU B C 8 ATOM 10779 O O . GLU B 1 9 ? 15.050 -3.751 -1.304 1.00 0.00 ? 9 GLU B O 8 ATOM 10780 C CB . GLU B 1 9 ? 16.823 -5.970 0.023 1.00 0.00 ? 9 GLU B CB 8 ATOM 10781 C CG . GLU B 1 9 ? 15.945 -6.979 0.745 1.00 0.00 ? 9 GLU B CG 8 ATOM 10782 C CD . GLU B 1 9 ? 16.180 -6.989 2.243 1.00 0.00 ? 9 GLU B CD 8 ATOM 10783 O OE1 . GLU B 1 9 ? 17.062 -6.238 2.711 1.00 0.00 ? 9 GLU B OE1 8 ATOM 10784 O OE2 . GLU B 1 9 ? 15.482 -7.748 2.948 1.00 0.00 ? 9 GLU B OE2 8 ATOM 10785 H H . GLU B 1 9 ? 18.269 -6.578 -1.970 1.00 0.00 ? 9 GLU B H 8 ATOM 10786 H HA . GLU B 1 9 ? 15.513 -6.292 -1.641 1.00 0.00 ? 9 GLU B HA 8 ATOM 10787 H HB2 . GLU B 1 9 ? 17.840 -6.334 0.039 1.00 0.00 ? 9 GLU B HB2 8 ATOM 10788 H HB3 . GLU B 1 9 ? 16.776 -5.035 0.560 1.00 0.00 ? 9 GLU B HB3 8 ATOM 10789 H HG2 . GLU B 1 9 ? 14.911 -6.734 0.561 1.00 0.00 ? 9 GLU B HG2 8 ATOM 10790 H HG3 . GLU B 1 9 ? 16.156 -7.965 0.355 1.00 0.00 ? 9 GLU B HG3 8 ATOM 10791 N N . ILE B 1 10 ? 17.091 -3.539 -2.232 1.00 0.00 ? 10 ILE B N 8 ATOM 10792 C CA . ILE B 1 10 ? 16.950 -2.115 -2.504 1.00 0.00 ? 10 ILE B CA 8 ATOM 10793 C C . ILE B 1 10 ? 15.933 -1.882 -3.627 1.00 0.00 ? 10 ILE B C 8 ATOM 10794 O O . ILE B 1 10 ? 14.990 -1.105 -3.476 1.00 0.00 ? 10 ILE B O 8 ATOM 10795 C CB . ILE B 1 10 ? 18.345 -1.481 -2.831 1.00 0.00 ? 10 ILE B CB 8 ATOM 10796 C CG1 . ILE B 1 10 ? 18.650 -0.350 -1.849 1.00 0.00 ? 10 ILE B CG1 8 ATOM 10797 C CG2 . ILE B 1 10 ? 18.473 -0.972 -4.271 1.00 0.00 ? 10 ILE B CG2 8 ATOM 10798 C CD1 . ILE B 1 10 ? 19.972 -0.524 -1.133 1.00 0.00 ? 10 ILE B CD1 8 ATOM 10799 H H . ILE B 1 10 ? 17.924 -3.986 -2.486 1.00 0.00 ? 10 ILE B H 8 ATOM 10800 H HA . ILE B 1 10 ? 16.572 -1.652 -1.603 1.00 0.00 ? 10 ILE B HA 8 ATOM 10801 H HB . ILE B 1 10 ? 19.089 -2.251 -2.697 1.00 0.00 ? 10 ILE B HB 8 ATOM 10802 H HG12 . ILE B 1 10 ? 18.685 0.586 -2.386 1.00 0.00 ? 10 ILE B HG12 8 ATOM 10803 H HG13 . ILE B 1 10 ? 17.871 -0.305 -1.105 1.00 0.00 ? 10 ILE B HG13 8 ATOM 10804 H HG21 . ILE B 1 10 ? 17.608 -0.377 -4.522 1.00 0.00 ? 10 ILE B HG21 8 ATOM 10805 H HG22 . ILE B 1 10 ? 19.363 -0.368 -4.360 1.00 0.00 ? 10 ILE B HG22 8 ATOM 10806 H HG23 . ILE B 1 10 ? 18.540 -1.811 -4.945 1.00 0.00 ? 10 ILE B HG23 8 ATOM 10807 H HD11 . ILE B 1 10 ? 20.253 -1.567 -1.145 1.00 0.00 ? 10 ILE B HD11 8 ATOM 10808 H HD12 . ILE B 1 10 ? 20.732 0.060 -1.631 1.00 0.00 ? 10 ILE B HD12 8 ATOM 10809 H HD13 . ILE B 1 10 ? 19.874 -0.190 -0.111 1.00 0.00 ? 10 ILE B HD13 8 ATOM 10810 N N . SER B 1 11 ? 16.142 -2.558 -4.753 1.00 0.00 ? 11 SER B N 8 ATOM 10811 C CA . SER B 1 11 ? 15.254 -2.423 -5.901 1.00 0.00 ? 11 SER B CA 8 ATOM 10812 C C . SER B 1 11 ? 13.856 -2.944 -5.582 1.00 0.00 ? 11 SER B C 8 ATOM 10813 O O . SER B 1 11 ? 12.882 -2.569 -6.236 1.00 0.00 ? 11 SER B O 8 ATOM 10814 C CB . SER B 1 11 ? 15.826 -3.175 -7.104 1.00 0.00 ? 11 SER B CB 8 ATOM 10815 O OG . SER B 1 11 ? 15.555 -4.563 -7.016 1.00 0.00 ? 11 SER B OG 8 ATOM 10816 H H . SER B 1 11 ? 16.915 -3.162 -4.813 1.00 0.00 ? 11 SER B H 8 ATOM 10817 H HA . SER B 1 11 ? 15.187 -1.374 -6.143 1.00 0.00 ? 11 SER B HA 8 ATOM 10818 H HB2 . SER B 1 11 ? 15.383 -2.790 -8.010 1.00 0.00 ? 11 SER B HB2 8 ATOM 10819 H HB3 . SER B 1 11 ? 16.896 -3.032 -7.139 1.00 0.00 ? 11 SER B HB3 8 ATOM 10820 H HG . SER B 1 11 ? 16.149 -5.043 -7.598 1.00 0.00 ? 11 SER B HG 8 ATOM 10821 N N . HIS B 1 12 ? 13.759 -3.810 -4.578 1.00 0.00 ? 12 HIS B N 8 ATOM 10822 C CA . HIS B 1 12 ? 12.476 -4.376 -4.188 1.00 0.00 ? 12 HIS B CA 8 ATOM 10823 C C . HIS B 1 12 ? 11.695 -3.391 -3.311 1.00 0.00 ? 12 HIS B C 8 ATOM 10824 O O . HIS B 1 12 ? 10.482 -3.249 -3.461 1.00 0.00 ? 12 HIS B O 8 ATOM 10825 C CB . HIS B 1 12 ? 12.698 -5.746 -3.505 1.00 0.00 ? 12 HIS B CB 8 ATOM 10826 C CG . HIS B 1 12 ? 11.996 -5.949 -2.191 1.00 0.00 ? 12 HIS B CG 8 ATOM 10827 N ND1 . HIS B 1 12 ? 10.630 -6.109 -2.080 1.00 0.00 ? 12 HIS B ND1 8 ATOM 10828 C CD2 . HIS B 1 12 ? 12.486 -6.020 -0.935 1.00 0.00 ? 12 HIS B CD2 8 ATOM 10829 C CE1 . HIS B 1 12 ? 10.311 -6.269 -0.808 1.00 0.00 ? 12 HIS B CE1 8 ATOM 10830 N NE2 . HIS B 1 12 ? 11.420 -6.219 -0.092 1.00 0.00 ? 12 HIS B NE2 8 ATOM 10831 H H . HIS B 1 12 ? 14.567 -4.077 -4.090 1.00 0.00 ? 12 HIS B H 8 ATOM 10832 H HA . HIS B 1 12 ? 11.910 -4.533 -5.096 1.00 0.00 ? 12 HIS B HA 8 ATOM 10833 H HB2 . HIS B 1 12 ? 12.360 -6.523 -4.172 1.00 0.00 ? 12 HIS B HB2 8 ATOM 10834 H HB3 . HIS B 1 12 ? 13.758 -5.875 -3.333 1.00 0.00 ? 12 HIS B HB3 8 ATOM 10835 H HD1 . HIS B 1 12 ? 9.990 -6.105 -2.822 1.00 0.00 ? 12 HIS B HD1 8 ATOM 10836 H HD2 . HIS B 1 12 ? 13.524 -5.932 -0.649 1.00 0.00 ? 12 HIS B HD2 8 ATOM 10837 H HE1 . HIS B 1 12 ? 9.314 -6.416 -0.419 1.00 0.00 ? 12 HIS B HE1 8 ATOM 10838 H HE2 . HIS B 1 12 ? 11.471 -6.310 0.882 1.00 0.00 ? 12 HIS B HE2 8 ATOM 10839 N N . HIS B 1 13 ? 12.392 -2.705 -2.407 1.00 0.00 ? 13 HIS B N 8 ATOM 10840 C CA . HIS B 1 13 ? 11.738 -1.733 -1.538 1.00 0.00 ? 13 HIS B CA 8 ATOM 10841 C C . HIS B 1 13 ? 11.305 -0.511 -2.339 1.00 0.00 ? 13 HIS B C 8 ATOM 10842 O O . HIS B 1 13 ? 10.388 0.206 -1.945 1.00 0.00 ? 13 HIS B O 8 ATOM 10843 C CB . HIS B 1 13 ? 12.661 -1.287 -0.405 1.00 0.00 ? 13 HIS B CB 8 ATOM 10844 C CG . HIS B 1 13 ? 13.317 -2.402 0.341 1.00 0.00 ? 13 HIS B CG 8 ATOM 10845 N ND1 . HIS B 1 13 ? 12.741 -3.640 0.528 1.00 0.00 ? 13 HIS B ND1 8 ATOM 10846 C CD2 . HIS B 1 13 ? 14.513 -2.444 0.966 1.00 0.00 ? 13 HIS B CD2 8 ATOM 10847 C CE1 . HIS B 1 13 ? 13.558 -4.398 1.239 1.00 0.00 ? 13 HIS B CE1 8 ATOM 10848 N NE2 . HIS B 1 13 ? 14.640 -3.695 1.516 1.00 0.00 ? 13 HIS B NE2 8 ATOM 10849 H H . HIS B 1 13 ? 13.359 -2.845 -2.333 1.00 0.00 ? 13 HIS B H 8 ATOM 10850 H HA . HIS B 1 13 ? 10.861 -2.202 -1.116 1.00 0.00 ? 13 HIS B HA 8 ATOM 10851 H HB2 . HIS B 1 13 ? 13.441 -0.666 -0.813 1.00 0.00 ? 13 HIS B HB2 8 ATOM 10852 H HB3 . HIS B 1 13 ? 12.087 -0.709 0.304 1.00 0.00 ? 13 HIS B HB3 8 ATOM 10853 H HD1 . HIS B 1 13 ? 11.865 -3.921 0.190 1.00 0.00 ? 13 HIS B HD1 8 ATOM 10854 H HD2 . HIS B 1 13 ? 15.231 -1.640 1.021 1.00 0.00 ? 13 HIS B HD2 8 ATOM 10855 H HE1 . HIS B 1 13 ? 13.373 -5.418 1.540 1.00 0.00 ? 13 HIS B HE1 8 ATOM 10856 H HE2 . HIS B 1 13 ? 15.409 -4.017 2.031 1.00 0.00 ? 13 HIS B HE2 8 ATOM 10857 N N . ALA B 1 14 ? 11.977 -0.275 -3.465 1.00 0.00 ? 14 ALA B N 8 ATOM 10858 C CA . ALA B 1 14 ? 11.660 0.861 -4.318 1.00 0.00 ? 14 ALA B CA 8 ATOM 10859 C C . ALA B 1 14 ? 10.387 0.594 -5.104 1.00 0.00 ? 14 ALA B C 8 ATOM 10860 O O . ALA B 1 14 ? 9.453 1.395 -5.083 1.00 0.00 ? 14 ALA B O 8 ATOM 10861 C CB . ALA B 1 14 ? 12.818 1.158 -5.261 1.00 0.00 ? 14 ALA B CB 8 ATOM 10862 H H . ALA B 1 14 ? 12.704 -0.880 -3.725 1.00 0.00 ? 14 ALA B H 8 ATOM 10863 H HA . ALA B 1 14 ? 11.508 1.723 -3.685 1.00 0.00 ? 14 ALA B HA 8 ATOM 10864 H HB1 . ALA B 1 14 ? 13.573 0.392 -5.156 1.00 0.00 ? 14 ALA B HB1 8 ATOM 10865 H HB2 . ALA B 1 14 ? 13.244 2.119 -5.017 1.00 0.00 ? 14 ALA B HB2 8 ATOM 10866 H HB3 . ALA B 1 14 ? 12.458 1.170 -6.279 1.00 0.00 ? 14 ALA B HB3 8 ATOM 10867 N N . LYS B 1 15 ? 10.348 -0.546 -5.781 1.00 0.00 ? 15 LYS B N 8 ATOM 10868 C CA . LYS B 1 15 ? 9.176 -0.926 -6.552 1.00 0.00 ? 15 LYS B CA 8 ATOM 10869 C C . LYS B 1 15 ? 8.046 -1.367 -5.623 1.00 0.00 ? 15 LYS B C 8 ATOM 10870 O O . LYS B 1 15 ? 6.894 -1.475 -6.043 1.00 0.00 ? 15 LYS B O 8 ATOM 10871 C CB . LYS B 1 15 ? 9.519 -2.049 -7.531 1.00 0.00 ? 15 LYS B CB 8 ATOM 10872 C CG . LYS B 1 15 ? 10.493 -1.630 -8.621 1.00 0.00 ? 15 LYS B CG 8 ATOM 10873 C CD . LYS B 1 15 ? 10.141 -2.265 -9.956 1.00 0.00 ? 15 LYS B CD 8 ATOM 10874 C CE . LYS B 1 15 ? 10.494 -1.351 -11.118 1.00 0.00 ? 15 LYS B CE 8 ATOM 10875 N NZ . LYS B 1 15 ? 11.699 -1.828 -11.854 1.00 0.00 ? 15 LYS B NZ 8 ATOM 10876 H H . LYS B 1 15 ? 11.119 -1.154 -5.747 1.00 0.00 ? 15 LYS B H 8 ATOM 10877 H HA . LYS B 1 15 ? 8.849 -0.059 -7.108 1.00 0.00 ? 15 LYS B HA 8 ATOM 10878 H HB2 . LYS B 1 15 ? 9.961 -2.868 -6.981 1.00 0.00 ? 15 LYS B HB2 8 ATOM 10879 H HB3 . LYS B 1 15 ? 8.610 -2.393 -8.002 1.00 0.00 ? 15 LYS B HB3 8 ATOM 10880 H HG2 . LYS B 1 15 ? 10.458 -0.555 -8.725 1.00 0.00 ? 15 LYS B HG2 8 ATOM 10881 H HG3 . LYS B 1 15 ? 11.489 -1.934 -8.337 1.00 0.00 ? 15 LYS B HG3 8 ATOM 10882 H HD2 . LYS B 1 15 ? 10.689 -3.189 -10.059 1.00 0.00 ? 15 LYS B HD2 8 ATOM 10883 H HD3 . LYS B 1 15 ? 9.080 -2.469 -9.980 1.00 0.00 ? 15 LYS B HD3 8 ATOM 10884 H HE2 . LYS B 1 15 ? 9.658 -1.316 -11.800 1.00 0.00 ? 15 LYS B HE2 8 ATOM 10885 H HE3 . LYS B 1 15 ? 10.687 -0.360 -10.735 1.00 0.00 ? 15 LYS B HE3 8 ATOM 10886 H HZ1 . LYS B 1 15 ? 11.782 -2.861 -11.771 1.00 0.00 ? 15 LYS B HZ1 8 ATOM 10887 H HZ2 . LYS B 1 15 ? 11.625 -1.576 -12.861 1.00 0.00 ? 15 LYS B HZ2 8 ATOM 10888 H HZ3 . LYS B 1 15 ? 12.555 -1.389 -11.461 1.00 0.00 ? 15 LYS B HZ3 8 ATOM 10889 N N . GLU B 1 16 ? 8.380 -1.616 -4.355 1.00 0.00 ? 16 GLU B N 8 ATOM 10890 C CA . GLU B 1 16 ? 7.392 -2.038 -3.375 1.00 0.00 ? 16 GLU B CA 8 ATOM 10891 C C . GLU B 1 16 ? 6.726 -0.831 -2.725 1.00 0.00 ? 16 GLU B C 8 ATOM 10892 O O . GLU B 1 16 ? 5.545 -0.877 -2.388 1.00 0.00 ? 16 GLU B O 8 ATOM 10893 C CB . GLU B 1 16 ? 8.040 -2.919 -2.307 1.00 0.00 ? 16 GLU B CB 8 ATOM 10894 C CG . GLU B 1 16 ? 7.068 -3.396 -1.241 1.00 0.00 ? 16 GLU B CG 8 ATOM 10895 C CD . GLU B 1 16 ? 6.810 -4.888 -1.312 1.00 0.00 ? 16 GLU B CD 8 ATOM 10896 O OE1 . GLU B 1 16 ? 6.298 -5.353 -2.353 1.00 0.00 ? 16 GLU B OE1 8 ATOM 10897 O OE2 . GLU B 1 16 ? 7.120 -5.593 -0.328 1.00 0.00 ? 16 GLU B OE2 8 ATOM 10898 H H . GLU B 1 16 ? 9.310 -1.511 -4.072 1.00 0.00 ? 16 GLU B H 8 ATOM 10899 H HA . GLU B 1 16 ? 6.637 -2.611 -3.893 1.00 0.00 ? 16 GLU B HA 8 ATOM 10900 H HB2 . GLU B 1 16 ? 8.470 -3.786 -2.785 1.00 0.00 ? 16 GLU B HB2 8 ATOM 10901 H HB3 . GLU B 1 16 ? 8.826 -2.359 -1.822 1.00 0.00 ? 16 GLU B HB3 8 ATOM 10902 H HG2 . GLU B 1 16 ? 7.476 -3.164 -0.269 1.00 0.00 ? 16 GLU B HG2 8 ATOM 10903 H HG3 . GLU B 1 16 ? 6.129 -2.877 -1.369 1.00 0.00 ? 16 GLU B HG3 8 ATOM 10904 N N . ILE B 1 17 ? 7.483 0.251 -2.555 1.00 0.00 ? 17 ILE B N 8 ATOM 10905 C CA . ILE B 1 17 ? 6.936 1.462 -1.951 1.00 0.00 ? 17 ILE B CA 8 ATOM 10906 C C . ILE B 1 17 ? 6.093 2.226 -2.965 1.00 0.00 ? 17 ILE B C 8 ATOM 10907 O O . ILE B 1 17 ? 5.072 2.819 -2.617 1.00 0.00 ? 17 ILE B O 8 ATOM 10908 C CB . ILE B 1 17 ? 8.050 2.379 -1.401 1.00 0.00 ? 17 ILE B CB 8 ATOM 10909 C CG1 . ILE B 1 17 ? 7.443 3.617 -0.725 1.00 0.00 ? 17 ILE B CG1 8 ATOM 10910 C CG2 . ILE B 1 17 ? 9.017 2.779 -2.505 1.00 0.00 ? 17 ILE B CG2 8 ATOM 10911 C CD1 . ILE B 1 17 ? 6.984 4.690 -1.693 1.00 0.00 ? 17 ILE B CD1 8 ATOM 10912 H H . ILE B 1 17 ? 8.424 0.239 -2.847 1.00 0.00 ? 17 ILE B H 8 ATOM 10913 H HA . ILE B 1 17 ? 6.300 1.166 -1.128 1.00 0.00 ? 17 ILE B HA 8 ATOM 10914 H HB . ILE B 1 17 ? 8.605 1.819 -0.663 1.00 0.00 ? 17 ILE B HB 8 ATOM 10915 H HG12 . ILE B 1 17 ? 6.587 3.315 -0.141 1.00 0.00 ? 17 ILE B HG12 8 ATOM 10916 H HG13 . ILE B 1 17 ? 8.181 4.055 -0.070 1.00 0.00 ? 17 ILE B HG13 8 ATOM 10917 H HG21 . ILE B 1 17 ? 9.436 1.892 -2.956 1.00 0.00 ? 17 ILE B HG21 8 ATOM 10918 H HG22 . ILE B 1 17 ? 8.492 3.352 -3.255 1.00 0.00 ? 17 ILE B HG22 8 ATOM 10919 H HG23 . ILE B 1 17 ? 9.812 3.379 -2.086 1.00 0.00 ? 17 ILE B HG23 8 ATOM 10920 H HD11 . ILE B 1 17 ? 7.198 4.381 -2.704 1.00 0.00 ? 17 ILE B HD11 8 ATOM 10921 H HD12 . ILE B 1 17 ? 5.922 4.846 -1.580 1.00 0.00 ? 17 ILE B HD12 8 ATOM 10922 H HD13 . ILE B 1 17 ? 7.507 5.612 -1.481 1.00 0.00 ? 17 ILE B HD13 8 ATOM 10923 N N . GLU B 1 18 ? 6.519 2.193 -4.224 1.00 0.00 ? 18 GLU B N 8 ATOM 10924 C CA . GLU B 1 18 ? 5.792 2.869 -5.288 1.00 0.00 ? 18 GLU B CA 8 ATOM 10925 C C . GLU B 1 18 ? 4.588 2.040 -5.717 1.00 0.00 ? 18 GLU B C 8 ATOM 10926 O O . GLU B 1 18 ? 3.512 2.576 -5.986 1.00 0.00 ? 18 GLU B O 8 ATOM 10927 C CB . GLU B 1 18 ? 6.710 3.122 -6.486 1.00 0.00 ? 18 GLU B CB 8 ATOM 10928 C CG . GLU B 1 18 ? 6.411 4.420 -7.219 1.00 0.00 ? 18 GLU B CG 8 ATOM 10929 C CD . GLU B 1 18 ? 5.975 4.192 -8.653 1.00 0.00 ? 18 GLU B CD 8 ATOM 10930 O OE1 . GLU B 1 18 ? 4.840 3.717 -8.862 1.00 0.00 ? 18 GLU B OE1 8 ATOM 10931 O OE2 . GLU B 1 18 ? 6.771 4.491 -9.570 1.00 0.00 ? 18 GLU B OE2 8 ATOM 10932 H H . GLU B 1 18 ? 7.334 1.692 -4.443 1.00 0.00 ? 18 GLU B H 8 ATOM 10933 H HA . GLU B 1 18 ? 5.443 3.816 -4.903 1.00 0.00 ? 18 GLU B HA 8 ATOM 10934 H HB2 . GLU B 1 18 ? 7.732 3.156 -6.141 1.00 0.00 ? 18 GLU B HB2 8 ATOM 10935 H HB3 . GLU B 1 18 ? 6.602 2.306 -7.186 1.00 0.00 ? 18 GLU B HB3 8 ATOM 10936 H HG2 . GLU B 1 18 ? 5.620 4.938 -6.697 1.00 0.00 ? 18 GLU B HG2 8 ATOM 10937 H HG3 . GLU B 1 18 ? 7.301 5.031 -7.220 1.00 0.00 ? 18 GLU B HG3 8 ATOM 10938 N N . ARG B 1 19 ? 4.775 0.724 -5.771 1.00 0.00 ? 19 ARG B N 8 ATOM 10939 C CA . ARG B 1 19 ? 3.701 -0.180 -6.157 1.00 0.00 ? 19 ARG B CA 8 ATOM 10940 C C . ARG B 1 19 ? 2.680 -0.306 -5.035 1.00 0.00 ? 19 ARG B C 8 ATOM 10941 O O . ARG B 1 19 ? 1.502 -0.563 -5.281 1.00 0.00 ? 19 ARG B O 8 ATOM 10942 C CB . ARG B 1 19 ? 4.263 -1.558 -6.513 1.00 0.00 ? 19 ARG B CB 8 ATOM 10943 C CG . ARG B 1 19 ? 3.228 -2.503 -7.101 1.00 0.00 ? 19 ARG B CG 8 ATOM 10944 C CD . ARG B 1 19 ? 3.074 -2.298 -8.599 1.00 0.00 ? 19 ARG B CD 8 ATOM 10945 N NE . ARG B 1 19 ? 1.768 -2.739 -9.081 1.00 0.00 ? 19 ARG B NE 8 ATOM 10946 C CZ . ARG B 1 19 ? 0.654 -2.028 -8.943 1.00 0.00 ? 19 ARG B CZ 8 ATOM 10947 N NH1 . ARG B 1 19 ? 0.689 -0.846 -8.342 1.00 0.00 ? 19 ARG B NH1 8 ATOM 10948 N NH2 . ARG B 1 19 ? -0.496 -2.497 -9.408 1.00 0.00 ? 19 ARG B NH2 8 ATOM 10949 H H . ARG B 1 19 ? 5.653 0.354 -5.537 1.00 0.00 ? 19 ARG B H 8 ATOM 10950 H HA . ARG B 1 19 ? 3.213 0.237 -7.024 1.00 0.00 ? 19 ARG B HA 8 ATOM 10951 H HB2 . ARG B 1 19 ? 5.058 -1.435 -7.234 1.00 0.00 ? 19 ARG B HB2 8 ATOM 10952 H HB3 . ARG B 1 19 ? 4.667 -2.011 -5.620 1.00 0.00 ? 19 ARG B HB3 8 ATOM 10953 H HG2 . ARG B 1 19 ? 3.539 -3.521 -6.918 1.00 0.00 ? 19 ARG B HG2 8 ATOM 10954 H HG3 . ARG B 1 19 ? 2.277 -2.324 -6.622 1.00 0.00 ? 19 ARG B HG3 8 ATOM 10955 H HD2 . ARG B 1 19 ? 3.191 -1.248 -8.819 1.00 0.00 ? 19 ARG B HD2 8 ATOM 10956 H HD3 . ARG B 1 19 ? 3.844 -2.859 -9.107 1.00 0.00 ? 19 ARG B HD3 8 ATOM 10957 H HE . ARG B 1 19 ? 1.719 -3.610 -9.528 1.00 0.00 ? 19 ARG B HE 8 ATOM 10958 H HH11 . ARG B 1 19 ? 1.555 -0.490 -7.990 1.00 0.00 ? 19 ARG B HH11 8 ATOM 10959 H HH12 . ARG B 1 19 ? -0.151 -0.312 -8.240 1.00 0.00 ? 19 ARG B HH12 8 ATOM 10960 H HH21 . ARG B 1 19 ? -0.526 -3.387 -9.862 1.00 0.00 ? 19 ARG B HH21 8 ATOM 10961 H HH22 . ARG B 1 19 ? -1.334 -1.961 -9.304 1.00 0.00 ? 19 ARG B HH22 8 ATOM 10962 N N . LEU B 1 20 ? 3.135 -0.111 -3.801 1.00 0.00 ? 20 LEU B N 8 ATOM 10963 C CA . LEU B 1 20 ? 2.251 -0.192 -2.651 1.00 0.00 ? 20 LEU B CA 8 ATOM 10964 C C . LEU B 1 20 ? 1.341 1.026 -2.611 1.00 0.00 ? 20 LEU B C 8 ATOM 10965 O O . LEU B 1 20 ? 0.148 0.913 -2.335 1.00 0.00 ? 20 LEU B O 8 ATOM 10966 C CB . LEU B 1 20 ? 3.057 -0.288 -1.354 1.00 0.00 ? 20 LEU B CB 8 ATOM 10967 C CG . LEU B 1 20 ? 3.456 -1.707 -0.945 1.00 0.00 ? 20 LEU B CG 8 ATOM 10968 C CD1 . LEU B 1 20 ? 4.560 -1.670 0.100 1.00 0.00 ? 20 LEU B CD1 8 ATOM 10969 C CD2 . LEU B 1 20 ? 2.248 -2.468 -0.419 1.00 0.00 ? 20 LEU B CD2 8 ATOM 10970 H H . LEU B 1 20 ? 4.082 0.102 -3.662 1.00 0.00 ? 20 LEU B H 8 ATOM 10971 H HA . LEU B 1 20 ? 1.644 -1.078 -2.758 1.00 0.00 ? 20 LEU B HA 8 ATOM 10972 H HB2 . LEU B 1 20 ? 3.955 0.300 -1.468 1.00 0.00 ? 20 LEU B HB2 8 ATOM 10973 H HB3 . LEU B 1 20 ? 2.469 0.138 -0.557 1.00 0.00 ? 20 LEU B HB3 8 ATOM 10974 H HG . LEU B 1 20 ? 3.833 -2.233 -1.810 1.00 0.00 ? 20 LEU B HG 8 ATOM 10975 H HD11 . LEU B 1 20 ? 5.325 -0.971 -0.209 1.00 0.00 ? 20 LEU B HD11 8 ATOM 10976 H HD12 . LEU B 1 20 ? 4.149 -1.359 1.049 1.00 0.00 ? 20 LEU B HD12 8 ATOM 10977 H HD13 . LEU B 1 20 ? 4.994 -2.655 0.201 1.00 0.00 ? 20 LEU B HD13 8 ATOM 10978 H HD21 . LEU B 1 20 ? 1.454 -2.432 -1.149 1.00 0.00 ? 20 LEU B HD21 8 ATOM 10979 H HD22 . LEU B 1 20 ? 2.523 -3.496 -0.235 1.00 0.00 ? 20 LEU B HD22 8 ATOM 10980 H HD23 . LEU B 1 20 ? 1.911 -2.016 0.503 1.00 0.00 ? 20 LEU B HD23 8 ATOM 10981 N N . GLN B 1 21 ? 1.913 2.193 -2.898 1.00 0.00 ? 21 GLN B N 8 ATOM 10982 C CA . GLN B 1 21 ? 1.152 3.435 -2.902 1.00 0.00 ? 21 GLN B CA 8 ATOM 10983 C C . GLN B 1 21 ? 0.027 3.369 -3.930 1.00 0.00 ? 21 GLN B C 8 ATOM 10984 O O . GLN B 1 21 ? -1.117 3.722 -3.638 1.00 0.00 ? 21 GLN B O 8 ATOM 10985 C CB . GLN B 1 21 ? 2.069 4.620 -3.207 1.00 0.00 ? 21 GLN B CB 8 ATOM 10986 C CG . GLN B 1 21 ? 1.347 5.956 -3.241 1.00 0.00 ? 21 GLN B CG 8 ATOM 10987 C CD . GLN B 1 21 ? 2.297 7.135 -3.164 1.00 0.00 ? 21 GLN B CD 8 ATOM 10988 O OE1 . GLN B 1 21 ? 2.593 7.776 -4.174 1.00 0.00 ? 21 GLN B OE1 8 ATOM 10989 N NE2 . GLN B 1 21 ? 2.781 7.428 -1.963 1.00 0.00 ? 21 GLN B NE2 8 ATOM 10990 H H . GLN B 1 21 ? 2.871 2.217 -3.114 1.00 0.00 ? 21 GLN B H 8 ATOM 10991 H HA . GLN B 1 21 ? 0.722 3.565 -1.921 1.00 0.00 ? 21 GLN B HA 8 ATOM 10992 H HB2 . GLN B 1 21 ? 2.838 4.669 -2.450 1.00 0.00 ? 21 GLN B HB2 8 ATOM 10993 H HB3 . GLN B 1 21 ? 2.535 4.463 -4.170 1.00 0.00 ? 21 GLN B HB3 8 ATOM 10994 H HG2 . GLN B 1 21 ? 0.785 6.026 -4.161 1.00 0.00 ? 21 GLN B HG2 8 ATOM 10995 H HG3 . GLN B 1 21 ? 0.668 6.005 -2.402 1.00 0.00 ? 21 GLN B HG3 8 ATOM 10996 H HE21 . GLN B 1 21 ? 2.502 6.875 -1.204 1.00 0.00 ? 21 GLN B HE21 8 ATOM 10997 H HE22 . GLN B 1 21 ? 3.398 8.186 -1.885 1.00 0.00 ? 21 GLN B HE22 8 ATOM 10998 N N . LYS B 1 22 ? 0.357 2.913 -5.135 1.00 0.00 ? 22 LYS B N 8 ATOM 10999 C CA . LYS B 1 22 ? -0.631 2.800 -6.202 1.00 0.00 ? 22 LYS B CA 8 ATOM 11000 C C . LYS B 1 22 ? -1.709 1.786 -5.835 1.00 0.00 ? 22 LYS B C 8 ATOM 11001 O O . LYS B 1 22 ? -2.871 1.933 -6.215 1.00 0.00 ? 22 LYS B O 8 ATOM 11002 C CB . LYS B 1 22 ? 0.047 2.392 -7.512 1.00 0.00 ? 22 LYS B CB 8 ATOM 11003 C CG . LYS B 1 22 ? 0.136 3.520 -8.527 1.00 0.00 ? 22 LYS B CG 8 ATOM 11004 C CD . LYS B 1 22 ? -1.244 3.974 -8.978 1.00 0.00 ? 22 LYS B CD 8 ATOM 11005 C CE . LYS B 1 22 ? -1.664 5.257 -8.280 1.00 0.00 ? 22 LYS B CE 8 ATOM 11006 N NZ . LYS B 1 22 ? -2.559 6.086 -9.134 1.00 0.00 ? 22 LYS B NZ 8 ATOM 11007 H H . LYS B 1 22 ? 1.285 2.644 -5.310 1.00 0.00 ? 22 LYS B H 8 ATOM 11008 H HA . LYS B 1 22 ? -1.091 3.768 -6.331 1.00 0.00 ? 22 LYS B HA 8 ATOM 11009 H HB2 . LYS B 1 22 ? 1.048 2.052 -7.294 1.00 0.00 ? 22 LYS B HB2 8 ATOM 11010 H HB3 . LYS B 1 22 ? -0.511 1.581 -7.955 1.00 0.00 ? 22 LYS B HB3 8 ATOM 11011 H HG2 . LYS B 1 22 ? 0.648 4.357 -8.077 1.00 0.00 ? 22 LYS B HG2 8 ATOM 11012 H HG3 . LYS B 1 22 ? 0.691 3.175 -9.386 1.00 0.00 ? 22 LYS B HG3 8 ATOM 11013 H HD2 . LYS B 1 22 ? -1.224 4.145 -10.043 1.00 0.00 ? 22 LYS B HD2 8 ATOM 11014 H HD3 . LYS B 1 22 ? -1.959 3.197 -8.748 1.00 0.00 ? 22 LYS B HD3 8 ATOM 11015 H HE2 . LYS B 1 22 ? -2.186 5.001 -7.369 1.00 0.00 ? 22 LYS B HE2 8 ATOM 11016 H HE3 . LYS B 1 22 ? -0.780 5.827 -8.039 1.00 0.00 ? 22 LYS B HE3 8 ATOM 11017 H HZ1 . LYS B 1 22 ? -2.801 5.571 -10.004 1.00 0.00 ? 22 LYS B HZ1 8 ATOM 11018 H HZ2 . LYS B 1 22 ? -3.437 6.308 -8.621 1.00 0.00 ? 22 LYS B HZ2 8 ATOM 11019 H HZ3 . LYS B 1 22 ? -2.085 6.975 -9.390 1.00 0.00 ? 22 LYS B HZ3 8 ATOM 11020 N N . GLU B 1 23 ? -1.315 0.756 -5.093 1.00 0.00 ? 23 GLU B N 8 ATOM 11021 C CA . GLU B 1 23 ? -2.246 -0.285 -4.673 1.00 0.00 ? 23 GLU B CA 8 ATOM 11022 C C . GLU B 1 23 ? -3.258 0.258 -3.669 1.00 0.00 ? 23 GLU B C 8 ATOM 11023 O O . GLU B 1 23 ? -4.420 -0.153 -3.660 1.00 0.00 ? 23 GLU B O 8 ATOM 11024 C CB . GLU B 1 23 ? -1.484 -1.463 -4.061 1.00 0.00 ? 23 GLU B CB 8 ATOM 11025 C CG . GLU B 1 23 ? -1.225 -2.594 -5.041 1.00 0.00 ? 23 GLU B CG 8 ATOM 11026 C CD . GLU B 1 23 ? -2.113 -3.798 -4.790 1.00 0.00 ? 23 GLU B CD 8 ATOM 11027 O OE1 . GLU B 1 23 ? -1.771 -4.614 -3.907 1.00 0.00 ? 23 GLU B OE1 8 ATOM 11028 O OE2 . GLU B 1 23 ? -3.149 -3.925 -5.475 1.00 0.00 ? 23 GLU B OE2 8 ATOM 11029 H H . GLU B 1 23 ? -0.375 0.694 -4.821 1.00 0.00 ? 23 GLU B H 8 ATOM 11030 H HA . GLU B 1 23 ? -2.776 -0.628 -5.549 1.00 0.00 ? 23 GLU B HA 8 ATOM 11031 H HB2 . GLU B 1 23 ? -0.533 -1.108 -3.694 1.00 0.00 ? 23 GLU B HB2 8 ATOM 11032 H HB3 . GLU B 1 23 ? -2.056 -1.855 -3.234 1.00 0.00 ? 23 GLU B HB3 8 ATOM 11033 H HG2 . GLU B 1 23 ? -1.408 -2.236 -6.043 1.00 0.00 ? 23 GLU B HG2 8 ATOM 11034 H HG3 . GLU B 1 23 ? -0.194 -2.901 -4.952 1.00 0.00 ? 23 GLU B HG3 8 ATOM 11035 N N . ILE B 1 24 ? -2.814 1.186 -2.826 1.00 0.00 ? 24 ILE B N 8 ATOM 11036 C CA . ILE B 1 24 ? -3.693 1.778 -1.823 1.00 0.00 ? 24 ILE B CA 8 ATOM 11037 C C . ILE B 1 24 ? -4.768 2.627 -2.504 1.00 0.00 ? 24 ILE B C 8 ATOM 11038 O O . ILE B 1 24 ? -5.937 2.597 -2.119 1.00 0.00 ? 24 ILE B O 8 ATOM 11039 C CB . ILE B 1 24 ? -2.902 2.617 -0.763 1.00 0.00 ? 24 ILE B CB 8 ATOM 11040 C CG1 . ILE B 1 24 ? -2.827 4.108 -1.128 1.00 0.00 ? 24 ILE B CG1 8 ATOM 11041 C CG2 . ILE B 1 24 ? -1.497 2.063 -0.574 1.00 0.00 ? 24 ILE B CG2 8 ATOM 11042 C CD1 . ILE B 1 24 ? -4.075 4.875 -0.748 1.00 0.00 ? 24 ILE B CD1 8 ATOM 11043 H H . ILE B 1 24 ? -1.882 1.478 -2.883 1.00 0.00 ? 24 ILE B H 8 ATOM 11044 H HA . ILE B 1 24 ? -4.183 0.964 -1.304 1.00 0.00 ? 24 ILE B HA 8 ATOM 11045 H HB . ILE B 1 24 ? -3.420 2.518 0.180 1.00 0.00 ? 24 ILE B HB 8 ATOM 11046 H HG12 . ILE B 1 24 ? -1.991 4.557 -0.615 1.00 0.00 ? 24 ILE B HG12 8 ATOM 11047 H HG13 . ILE B 1 24 ? -2.687 4.207 -2.194 1.00 0.00 ? 24 ILE B HG13 8 ATOM 11048 H HG21 . ILE B 1 24 ? -1.483 1.018 -0.837 1.00 0.00 ? 24 ILE B HG21 8 ATOM 11049 H HG22 . ILE B 1 24 ? -0.810 2.602 -1.208 1.00 0.00 ? 24 ILE B HG22 8 ATOM 11050 H HG23 . ILE B 1 24 ? -1.199 2.181 0.457 1.00 0.00 ? 24 ILE B HG23 8 ATOM 11051 H HD11 . ILE B 1 24 ? -4.777 4.206 -0.268 1.00 0.00 ? 24 ILE B HD11 8 ATOM 11052 H HD12 . ILE B 1 24 ? -3.814 5.671 -0.067 1.00 0.00 ? 24 ILE B HD12 8 ATOM 11053 H HD13 . ILE B 1 24 ? -4.526 5.293 -1.636 1.00 0.00 ? 24 ILE B HD13 8 ATOM 11054 N N . GLU B 1 25 ? -4.355 3.376 -3.524 1.00 0.00 ? 25 GLU B N 8 ATOM 11055 C CA . GLU B 1 25 ? -5.272 4.227 -4.270 1.00 0.00 ? 25 GLU B CA 8 ATOM 11056 C C . GLU B 1 25 ? -6.387 3.395 -4.890 1.00 0.00 ? 25 GLU B C 8 ATOM 11057 O O . GLU B 1 25 ? -7.558 3.765 -4.830 1.00 0.00 ? 25 GLU B O 8 ATOM 11058 C CB . GLU B 1 25 ? -4.520 4.992 -5.360 1.00 0.00 ? 25 GLU B CB 8 ATOM 11059 C CG . GLU B 1 25 ? -5.154 6.327 -5.715 1.00 0.00 ? 25 GLU B CG 8 ATOM 11060 C CD . GLU B 1 25 ? -4.163 7.299 -6.325 1.00 0.00 ? 25 GLU B CD 8 ATOM 11061 O OE1 . GLU B 1 25 ? -2.945 7.040 -6.235 1.00 0.00 ? 25 GLU B OE1 8 ATOM 11062 O OE2 . GLU B 1 25 ? -4.605 8.319 -6.892 1.00 0.00 ? 25 GLU B OE2 8 ATOM 11063 H H . GLU B 1 25 ? -3.409 3.349 -3.783 1.00 0.00 ? 25 GLU B H 8 ATOM 11064 H HA . GLU B 1 25 ? -5.706 4.934 -3.579 1.00 0.00 ? 25 GLU B HA 8 ATOM 11065 H HB2 . GLU B 1 25 ? -3.510 5.176 -5.025 1.00 0.00 ? 25 GLU B HB2 8 ATOM 11066 H HB3 . GLU B 1 25 ? -4.488 4.384 -6.253 1.00 0.00 ? 25 GLU B HB3 8 ATOM 11067 H HG2 . GLU B 1 25 ? -5.950 6.156 -6.425 1.00 0.00 ? 25 GLU B HG2 8 ATOM 11068 H HG3 . GLU B 1 25 ? -5.563 6.766 -4.818 1.00 0.00 ? 25 GLU B HG3 8 ATOM 11069 N N . ARG B 1 26 ? -6.015 2.264 -5.482 1.00 0.00 ? 26 ARG B N 8 ATOM 11070 C CA . ARG B 1 26 ? -6.987 1.376 -6.105 1.00 0.00 ? 26 ARG B CA 8 ATOM 11071 C C . ARG B 1 26 ? -8.060 0.981 -5.100 1.00 0.00 ? 26 ARG B C 8 ATOM 11072 O O . ARG B 1 26 ? -9.256 1.080 -5.379 1.00 0.00 ? 26 ARG B O 8 ATOM 11073 C CB . ARG B 1 26 ? -6.294 0.126 -6.652 1.00 0.00 ? 26 ARG B CB 8 ATOM 11074 C CG . ARG B 1 26 ? -6.466 -0.058 -8.150 1.00 0.00 ? 26 ARG B CG 8 ATOM 11075 C CD . ARG B 1 26 ? -5.914 1.129 -8.924 1.00 0.00 ? 26 ARG B CD 8 ATOM 11076 N NE . ARG B 1 26 ? -6.391 1.154 -10.304 1.00 0.00 ? 26 ARG B NE 8 ATOM 11077 C CZ . ARG B 1 26 ? -6.109 2.128 -11.163 1.00 0.00 ? 26 ARG B CZ 8 ATOM 11078 N NH1 . ARG B 1 26 ? -5.355 3.151 -10.785 1.00 0.00 ? 26 ARG B NH1 8 ATOM 11079 N NH2 . ARG B 1 26 ? -6.581 2.079 -12.401 1.00 0.00 ? 26 ARG B NH2 8 ATOM 11080 H H . ARG B 1 26 ? -5.065 2.019 -5.493 1.00 0.00 ? 26 ARG B H 8 ATOM 11081 H HA . ARG B 1 26 ? -7.450 1.909 -6.921 1.00 0.00 ? 26 ARG B HA 8 ATOM 11082 H HB2 . ARG B 1 26 ? -5.237 0.191 -6.437 1.00 0.00 ? 26 ARG B HB2 8 ATOM 11083 H HB3 . ARG B 1 26 ? -6.701 -0.743 -6.155 1.00 0.00 ? 26 ARG B HB3 8 ATOM 11084 H HG2 . ARG B 1 26 ? -5.942 -0.949 -8.458 1.00 0.00 ? 26 ARG B HG2 8 ATOM 11085 H HG3 . ARG B 1 26 ? -7.519 -0.162 -8.373 1.00 0.00 ? 26 ARG B HG3 8 ATOM 11086 H HD2 . ARG B 1 26 ? -6.220 2.039 -8.431 1.00 0.00 ? 26 ARG B HD2 8 ATOM 11087 H HD3 . ARG B 1 26 ? -4.834 1.069 -8.928 1.00 0.00 ? 26 ARG B HD3 8 ATOM 11088 H HE . ARG B 1 26 ? -6.951 0.408 -10.604 1.00 0.00 ? 26 ARG B HE 8 ATOM 11089 H HH11 . ARG B 1 26 ? -4.998 3.191 -9.851 1.00 0.00 ? 26 ARG B HH11 8 ATOM 11090 H HH12 . ARG B 1 26 ? -5.144 3.883 -11.432 1.00 0.00 ? 26 ARG B HH12 8 ATOM 11091 H HH21 . ARG B 1 26 ? -7.150 1.310 -12.690 1.00 0.00 ? 26 ARG B HH21 8 ATOM 11092 H HH22 . ARG B 1 26 ? -6.368 2.813 -13.046 1.00 0.00 ? 26 ARG B HH22 8 ATOM 11093 N N . HIS B 1 27 ? -7.625 0.543 -3.922 1.00 0.00 ? 27 HIS B N 8 ATOM 11094 C CA . HIS B 1 27 ? -8.550 0.145 -2.870 1.00 0.00 ? 27 HIS B CA 8 ATOM 11095 C C . HIS B 1 27 ? -9.359 1.345 -2.385 1.00 0.00 ? 27 HIS B C 8 ATOM 11096 O O . HIS B 1 27 ? -10.456 1.190 -1.849 1.00 0.00 ? 27 HIS B O 8 ATOM 11097 C CB . HIS B 1 27 ? -7.790 -0.484 -1.702 1.00 0.00 ? 27 HIS B CB 8 ATOM 11098 C CG . HIS B 1 27 ? -7.591 -1.961 -1.848 1.00 0.00 ? 27 HIS B CG 8 ATOM 11099 N ND1 . HIS B 1 27 ? -8.613 -2.877 -1.697 1.00 0.00 ? 27 HIS B ND1 8 ATOM 11100 C CD2 . HIS B 1 27 ? -6.481 -2.683 -2.133 1.00 0.00 ? 27 HIS B CD2 8 ATOM 11101 C CE1 . HIS B 1 27 ? -8.139 -4.096 -1.883 1.00 0.00 ? 27 HIS B CE1 8 ATOM 11102 N NE2 . HIS B 1 27 ? -6.850 -4.005 -2.149 1.00 0.00 ? 27 HIS B NE2 8 ATOM 11103 H H . HIS B 1 27 ? -6.659 0.494 -3.755 1.00 0.00 ? 27 HIS B H 8 ATOM 11104 H HA . HIS B 1 27 ? -9.228 -0.587 -3.284 1.00 0.00 ? 27 HIS B HA 8 ATOM 11105 H HB2 . HIS B 1 27 ? -6.817 -0.024 -1.625 1.00 0.00 ? 27 HIS B HB2 8 ATOM 11106 H HB3 . HIS B 1 27 ? -8.339 -0.310 -0.788 1.00 0.00 ? 27 HIS B HB3 8 ATOM 11107 H HD1 . HIS B 1 27 ? -9.545 -2.665 -1.485 1.00 0.00 ? 27 HIS B HD1 8 ATOM 11108 H HD2 . HIS B 1 27 ? -5.491 -2.289 -2.315 1.00 0.00 ? 27 HIS B HD2 8 ATOM 11109 H HE1 . HIS B 1 27 ? -8.709 -5.011 -1.827 1.00 0.00 ? 27 HIS B HE1 8 ATOM 11110 H HE2 . HIS B 1 27 ? -6.253 -4.761 -2.330 1.00 0.00 ? 27 HIS B HE2 8 ATOM 11111 N N . LYS B 1 28 ? -8.810 2.542 -2.579 1.00 0.00 ? 28 LYS B N 8 ATOM 11112 C CA . LYS B 1 28 ? -9.480 3.768 -2.166 1.00 0.00 ? 28 LYS B CA 8 ATOM 11113 C C . LYS B 1 28 ? -10.654 4.078 -3.089 1.00 0.00 ? 28 LYS B C 8 ATOM 11114 O O . LYS B 1 28 ? -11.666 4.631 -2.658 1.00 0.00 ? 28 LYS B O 8 ATOM 11115 C CB . LYS B 1 28 ? -8.493 4.938 -2.169 1.00 0.00 ? 28 LYS B CB 8 ATOM 11116 C CG . LYS B 1 28 ? -8.960 6.128 -1.346 1.00 0.00 ? 28 LYS B CG 8 ATOM 11117 C CD . LYS B 1 28 ? -8.880 7.421 -2.142 1.00 0.00 ? 28 LYS B CD 8 ATOM 11118 C CE . LYS B 1 28 ? -10.245 7.839 -2.664 1.00 0.00 ? 28 LYS B CE 8 ATOM 11119 N NZ . LYS B 1 28 ? -10.350 9.316 -2.823 1.00 0.00 ? 28 LYS B NZ 8 ATOM 11120 H H . LYS B 1 28 ? -7.933 2.602 -3.014 1.00 0.00 ? 28 LYS B H 8 ATOM 11121 H HA . LYS B 1 28 ? -9.851 3.623 -1.165 1.00 0.00 ? 28 LYS B HA 8 ATOM 11122 H HB2 . LYS B 1 28 ? -7.550 4.600 -1.768 1.00 0.00 ? 28 LYS B HB2 8 ATOM 11123 H HB3 . LYS B 1 28 ? -8.345 5.268 -3.187 1.00 0.00 ? 28 LYS B HB3 8 ATOM 11124 H HG2 . LYS B 1 28 ? -9.985 5.966 -1.046 1.00 0.00 ? 28 LYS B HG2 8 ATOM 11125 H HG3 . LYS B 1 28 ? -8.335 6.216 -0.470 1.00 0.00 ? 28 LYS B HG3 8 ATOM 11126 H HD2 . LYS B 1 28 ? -8.495 8.202 -1.504 1.00 0.00 ? 28 LYS B HD2 8 ATOM 11127 H HD3 . LYS B 1 28 ? -8.213 7.276 -2.979 1.00 0.00 ? 28 LYS B HD3 8 ATOM 11128 H HE2 . LYS B 1 28 ? -10.409 7.370 -3.622 1.00 0.00 ? 28 LYS B HE2 8 ATOM 11129 H HE3 . LYS B 1 28 ? -11.001 7.506 -1.967 1.00 0.00 ? 28 LYS B HE3 8 ATOM 11130 H HZ1 . LYS B 1 28 ? -9.480 9.775 -2.488 1.00 0.00 ? 28 LYS B HZ1 8 ATOM 11131 H HZ2 . LYS B 1 28 ? -10.493 9.558 -3.825 1.00 0.00 ? 28 LYS B HZ2 8 ATOM 11132 H HZ3 . LYS B 1 28 ? -11.154 9.679 -2.273 1.00 0.00 ? 28 LYS B HZ3 8 ATOM 11133 N N . GLN B 1 29 ? -10.511 3.716 -4.360 1.00 0.00 ? 29 GLN B N 8 ATOM 11134 C CA . GLN B 1 29 ? -11.560 3.952 -5.344 1.00 0.00 ? 29 GLN B CA 8 ATOM 11135 C C . GLN B 1 29 ? -12.689 2.940 -5.184 1.00 0.00 ? 29 GLN B C 8 ATOM 11136 O O . GLN B 1 29 ? -13.852 3.249 -5.437 1.00 0.00 ? 29 GLN B O 8 ATOM 11137 C CB . GLN B 1 29 ? -10.987 3.874 -6.759 1.00 0.00 ? 29 GLN B CB 8 ATOM 11138 C CG . GLN B 1 29 ? -11.647 4.835 -7.735 1.00 0.00 ? 29 GLN B CG 8 ATOM 11139 C CD . GLN B 1 29 ? -10.698 5.915 -8.218 1.00 0.00 ? 29 GLN B CD 8 ATOM 11140 O OE1 . GLN B 1 29 ? -10.177 6.700 -7.425 1.00 0.00 ? 29 GLN B OE1 8 ATOM 11141 N NE2 . GLN B 1 29 ? -10.471 5.962 -9.526 1.00 0.00 ? 29 GLN B NE2 8 ATOM 11142 H H . GLN B 1 29 ? -9.681 3.277 -4.640 1.00 0.00 ? 29 GLN B H 8 ATOM 11143 H HA . GLN B 1 29 ? -11.955 4.943 -5.178 1.00 0.00 ? 29 GLN B HA 8 ATOM 11144 H HB2 . GLN B 1 29 ? -9.933 4.100 -6.720 1.00 0.00 ? 29 GLN B HB2 8 ATOM 11145 H HB3 . GLN B 1 29 ? -11.119 2.870 -7.132 1.00 0.00 ? 29 GLN B HB3 8 ATOM 11146 H HG2 . GLN B 1 29 ? -11.996 4.277 -8.590 1.00 0.00 ? 29 GLN B HG2 8 ATOM 11147 H HG3 . GLN B 1 29 ? -12.486 5.306 -7.246 1.00 0.00 ? 29 GLN B HG3 8 ATOM 11148 H HE21 . GLN B 1 29 ? -10.921 5.305 -10.097 1.00 0.00 ? 29 GLN B HE21 8 ATOM 11149 H HE22 . GLN B 1 29 ? -9.862 6.651 -9.866 1.00 0.00 ? 29 GLN B HE22 8 ATOM 11150 N N . SER B 1 30 ? -12.337 1.730 -4.762 1.00 0.00 ? 30 SER B N 8 ATOM 11151 C CA . SER B 1 30 ? -13.322 0.674 -4.566 1.00 0.00 ? 30 SER B CA 8 ATOM 11152 C C . SER B 1 30 ? -14.131 0.918 -3.295 1.00 0.00 ? 30 SER B C 8 ATOM 11153 O O . SER B 1 30 ? -15.324 0.619 -3.238 1.00 0.00 ? 30 SER B O 8 ATOM 11154 C CB . SER B 1 30 ? -12.634 -0.690 -4.495 1.00 0.00 ? 30 SER B CB 8 ATOM 11155 O OG . SER B 1 30 ? -11.775 -0.773 -3.370 1.00 0.00 ? 30 SER B OG 8 ATOM 11156 H H . SER B 1 30 ? -11.391 1.544 -4.576 1.00 0.00 ? 30 SER B H 8 ATOM 11157 H HA . SER B 1 30 ? -13.992 0.686 -5.412 1.00 0.00 ? 30 SER B HA 8 ATOM 11158 H HB2 . SER B 1 30 ? -13.381 -1.465 -4.419 1.00 0.00 ? 30 SER B HB2 8 ATOM 11159 H HB3 . SER B 1 30 ? -12.048 -0.842 -5.390 1.00 0.00 ? 30 SER B HB3 8 ATOM 11160 H HG . SER B 1 30 ? -12.228 -0.432 -2.595 1.00 0.00 ? 30 SER B HG 8 ATOM 11161 N N . ILE B 1 31 ? -13.471 1.463 -2.278 1.00 0.00 ? 31 ILE B N 8 ATOM 11162 C CA . ILE B 1 31 ? -14.124 1.750 -1.005 1.00 0.00 ? 31 ILE B CA 8 ATOM 11163 C C . ILE B 1 31 ? -15.053 2.953 -1.123 1.00 0.00 ? 31 ILE B C 8 ATOM 11164 O O . ILE B 1 31 ? -16.108 3.000 -0.490 1.00 0.00 ? 31 ILE B O 8 ATOM 11165 C CB . ILE B 1 31 ? -13.085 2.013 0.102 1.00 0.00 ? 31 ILE B CB 8 ATOM 11166 C CG1 . ILE B 1 31 ? -13.768 2.316 1.435 1.00 0.00 ? 31 ILE B CG1 8 ATOM 11167 C CG2 . ILE B 1 31 ? -12.167 3.161 -0.291 1.00 0.00 ? 31 ILE B CG2 8 ATOM 11168 C CD1 . ILE B 1 31 ? -14.538 1.145 2.002 1.00 0.00 ? 31 ILE B CD1 8 ATOM 11169 H H . ILE B 1 31 ? -12.521 1.678 -2.386 1.00 0.00 ? 31 ILE B H 8 ATOM 11170 H HA . ILE B 1 31 ? -14.706 0.884 -0.725 1.00 0.00 ? 31 ILE B HA 8 ATOM 11171 H HB . ILE B 1 31 ? -12.484 1.124 0.210 1.00 0.00 ? 31 ILE B HB 8 ATOM 11172 H HG12 . ILE B 1 31 ? -13.016 2.596 2.160 1.00 0.00 ? 31 ILE B HG12 8 ATOM 11173 H HG13 . ILE B 1 31 ? -14.458 3.136 1.302 1.00 0.00 ? 31 ILE B HG13 8 ATOM 11174 H HG21 . ILE B 1 31 ? -12.755 4.052 -0.453 1.00 0.00 ? 31 ILE B HG21 8 ATOM 11175 H HG22 . ILE B 1 31 ? -11.453 3.338 0.499 1.00 0.00 ? 31 ILE B HG22 8 ATOM 11176 H HG23 . ILE B 1 31 ? -11.643 2.907 -1.199 1.00 0.00 ? 31 ILE B HG23 8 ATOM 11177 H HD11 . ILE B 1 31 ? -15.146 0.704 1.225 1.00 0.00 ? 31 ILE B HD11 8 ATOM 11178 H HD12 . ILE B 1 31 ? -13.845 0.410 2.378 1.00 0.00 ? 31 ILE B HD12 8 ATOM 11179 H HD13 . ILE B 1 31 ? -15.172 1.486 2.806 1.00 0.00 ? 31 ILE B HD13 8 ATOM 11180 N N . LYS B 1 32 ? -14.658 3.922 -1.943 1.00 0.00 ? 32 LYS B N 8 ATOM 11181 C CA . LYS B 1 32 ? -15.462 5.121 -2.146 1.00 0.00 ? 32 LYS B CA 8 ATOM 11182 C C . LYS B 1 32 ? -16.646 4.824 -3.060 1.00 0.00 ? 32 LYS B C 8 ATOM 11183 O O . LYS B 1 32 ? -17.728 5.388 -2.895 1.00 0.00 ? 32 LYS B O 8 ATOM 11184 C CB . LYS B 1 32 ? -14.608 6.241 -2.741 1.00 0.00 ? 32 LYS B CB 8 ATOM 11185 C CG . LYS B 1 32 ? -13.688 6.907 -1.731 1.00 0.00 ? 32 LYS B CG 8 ATOM 11186 C CD . LYS B 1 32 ? -14.477 7.637 -0.656 1.00 0.00 ? 32 LYS B CD 8 ATOM 11187 C CE . LYS B 1 32 ? -13.652 8.743 -0.017 1.00 0.00 ? 32 LYS B CE 8 ATOM 11188 N NZ . LYS B 1 32 ? -14.481 9.619 0.858 1.00 0.00 ? 32 LYS B NZ 8 ATOM 11189 H H . LYS B 1 32 ? -13.810 3.827 -2.426 1.00 0.00 ? 32 LYS B H 8 ATOM 11190 H HA . LYS B 1 32 ? -15.837 5.436 -1.183 1.00 0.00 ? 32 LYS B HA 8 ATOM 11191 H HB2 . LYS B 1 32 ? -14.000 5.832 -3.535 1.00 0.00 ? 32 LYS B HB2 8 ATOM 11192 H HB3 . LYS B 1 32 ? -15.261 6.997 -3.153 1.00 0.00 ? 32 LYS B HB3 8 ATOM 11193 H HG2 . LYS B 1 32 ? -13.077 6.150 -1.263 1.00 0.00 ? 32 LYS B HG2 8 ATOM 11194 H HG3 . LYS B 1 32 ? -13.056 7.614 -2.246 1.00 0.00 ? 32 LYS B HG3 8 ATOM 11195 H HD2 . LYS B 1 32 ? -15.357 8.073 -1.103 1.00 0.00 ? 32 LYS B HD2 8 ATOM 11196 H HD3 . LYS B 1 32 ? -14.768 6.930 0.105 1.00 0.00 ? 32 LYS B HD3 8 ATOM 11197 H HE2 . LYS B 1 32 ? -12.871 8.293 0.578 1.00 0.00 ? 32 LYS B HE2 8 ATOM 11198 H HE3 . LYS B 1 32 ? -13.210 9.343 -0.797 1.00 0.00 ? 32 LYS B HE3 8 ATOM 11199 H HZ1 . LYS B 1 32 ? -15.489 9.493 0.636 1.00 0.00 ? 32 LYS B HZ1 8 ATOM 11200 H HZ2 . LYS B 1 32 ? -14.324 9.378 1.857 1.00 0.00 ? 32 LYS B HZ2 8 ATOM 11201 H HZ3 . LYS B 1 32 ? -14.227 10.616 0.708 1.00 0.00 ? 32 LYS B HZ3 8 ATOM 11202 N N . LYS B 1 33 ? -16.433 3.932 -4.021 1.00 0.00 ? 33 LYS B N 8 ATOM 11203 C CA . LYS B 1 33 ? -17.483 3.552 -4.957 1.00 0.00 ? 33 LYS B CA 8 ATOM 11204 C C . LYS B 1 33 ? -18.513 2.663 -4.272 1.00 0.00 ? 33 LYS B C 8 ATOM 11205 O O . LYS B 1 33 ? -19.698 2.698 -4.605 1.00 0.00 ? 33 LYS B O 8 ATOM 11206 C CB . LYS B 1 33 ? -16.884 2.827 -6.163 1.00 0.00 ? 33 LYS B CB 8 ATOM 11207 C CG . LYS B 1 33 ? -16.432 3.762 -7.273 1.00 0.00 ? 33 LYS B CG 8 ATOM 11208 C CD . LYS B 1 33 ? -15.460 3.075 -8.219 1.00 0.00 ? 33 LYS B CD 8 ATOM 11209 C CE . LYS B 1 33 ? -15.993 3.047 -9.642 1.00 0.00 ? 33 LYS B CE 8 ATOM 11210 N NZ . LYS B 1 33 ? -17.220 2.211 -9.759 1.00 0.00 ? 33 LYS B NZ 8 ATOM 11211 H H . LYS B 1 33 ? -15.551 3.513 -4.096 1.00 0.00 ? 33 LYS B H 8 ATOM 11212 H HA . LYS B 1 33 ? -17.969 4.456 -5.294 1.00 0.00 ? 33 LYS B HA 8 ATOM 11213 H HB2 . LYS B 1 33 ? -16.030 2.253 -5.836 1.00 0.00 ? 33 LYS B HB2 8 ATOM 11214 H HB3 . LYS B 1 33 ? -17.625 2.154 -6.568 1.00 0.00 ? 33 LYS B HB3 8 ATOM 11215 H HG2 . LYS B 1 33 ? -17.297 4.083 -7.835 1.00 0.00 ? 33 LYS B HG2 8 ATOM 11216 H HG3 . LYS B 1 33 ? -15.947 4.620 -6.833 1.00 0.00 ? 33 LYS B HG3 8 ATOM 11217 H HD2 . LYS B 1 33 ? -14.522 3.611 -8.207 1.00 0.00 ? 33 LYS B HD2 8 ATOM 11218 H HD3 . LYS B 1 33 ? -15.301 2.061 -7.882 1.00 0.00 ? 33 LYS B HD3 8 ATOM 11219 H HE2 . LYS B 1 33 ? -16.226 4.057 -9.946 1.00 0.00 ? 33 LYS B HE2 8 ATOM 11220 H HE3 . LYS B 1 33 ? -15.229 2.644 -10.292 1.00 0.00 ? 33 LYS B HE3 8 ATOM 11221 H HZ1 . LYS B 1 33 ? -17.053 1.271 -9.347 1.00 0.00 ? 33 LYS B HZ1 8 ATOM 11222 H HZ2 . LYS B 1 33 ? -18.010 2.662 -9.256 1.00 0.00 ? 33 LYS B HZ2 8 ATOM 11223 H HZ3 . LYS B 1 33 ? -17.481 2.097 -10.760 1.00 0.00 ? 33 LYS B HZ3 8 ATOM 11224 N N . LEU B 1 34 ? -18.052 1.872 -3.309 1.00 0.00 ? 34 LEU B N 8 ATOM 11225 C CA . LEU B 1 34 ? -18.933 0.977 -2.570 1.00 0.00 ? 34 LEU B CA 8 ATOM 11226 C C . LEU B 1 34 ? -19.854 1.770 -1.651 1.00 0.00 ? 34 LEU B C 8 ATOM 11227 O O . LEU B 1 34 ? -21.045 1.478 -1.545 1.00 0.00 ? 34 LEU B O 8 ATOM 11228 C CB . LEU B 1 34 ? -18.112 -0.021 -1.749 1.00 0.00 ? 34 LEU B CB 8 ATOM 11229 C CG . LEU B 1 34 ? -18.549 -1.486 -1.862 1.00 0.00 ? 34 LEU B CG 8 ATOM 11230 C CD1 . LEU B 1 34 ? -20.067 -1.606 -1.859 1.00 0.00 ? 34 LEU B CD1 8 ATOM 11231 C CD2 . LEU B 1 34 ? -17.966 -2.119 -3.115 1.00 0.00 ? 34 LEU B CD2 8 ATOM 11232 H H . LEU B 1 34 ? -17.097 1.893 -3.088 1.00 0.00 ? 34 LEU B H 8 ATOM 11233 H HA . LEU B 1 34 ? -19.534 0.436 -3.286 1.00 0.00 ? 34 LEU B HA 8 ATOM 11234 H HB2 . LEU B 1 34 ? -17.082 0.049 -2.065 1.00 0.00 ? 34 LEU B HB2 8 ATOM 11235 H HB3 . LEU B 1 34 ? -18.171 0.269 -0.712 1.00 0.00 ? 34 LEU B HB3 8 ATOM 11236 H HG . LEU B 1 34 ? -18.172 -2.031 -1.007 1.00 0.00 ? 34 LEU B HG 8 ATOM 11237 H HD11 . LEU B 1 34 ? -20.506 -0.640 -1.665 1.00 0.00 ? 34 LEU B HD11 8 ATOM 11238 H HD12 . LEU B 1 34 ? -20.401 -1.967 -2.820 1.00 0.00 ? 34 LEU B HD12 8 ATOM 11239 H HD13 . LEU B 1 34 ? -20.371 -2.301 -1.089 1.00 0.00 ? 34 LEU B HD13 8 ATOM 11240 H HD21 . LEU B 1 34 ? -17.246 -1.447 -3.557 1.00 0.00 ? 34 LEU B HD21 8 ATOM 11241 H HD22 . LEU B 1 34 ? -17.479 -3.048 -2.855 1.00 0.00 ? 34 LEU B HD22 8 ATOM 11242 H HD23 . LEU B 1 34 ? -18.758 -2.314 -3.822 1.00 0.00 ? 34 LEU B HD23 8 ATOM 11243 N N . LYS B 1 35 ? -19.293 2.778 -0.988 1.00 0.00 ? 35 LYS B N 8 ATOM 11244 C CA . LYS B 1 35 ? -20.066 3.617 -0.079 1.00 0.00 ? 35 LYS B CA 8 ATOM 11245 C C . LYS B 1 35 ? -21.128 4.404 -0.837 1.00 0.00 ? 35 LYS B C 8 ATOM 11246 O O . LYS B 1 35 ? -22.248 4.578 -0.355 1.00 0.00 ? 35 LYS B O 8 ATOM 11247 C CB . LYS B 1 35 ? -19.141 4.577 0.671 1.00 0.00 ? 35 LYS B CB 8 ATOM 11248 C CG . LYS B 1 35 ? -19.468 4.705 2.151 1.00 0.00 ? 35 LYS B CG 8 ATOM 11249 C CD . LYS B 1 35 ? -19.423 3.357 2.850 1.00 0.00 ? 35 LYS B CD 8 ATOM 11250 C CE . LYS B 1 35 ? -18.606 3.421 4.131 1.00 0.00 ? 35 LYS B CE 8 ATOM 11251 N NZ . LYS B 1 35 ? -19.407 3.932 5.276 1.00 0.00 ? 35 LYS B NZ 8 ATOM 11252 H H . LYS B 1 35 ? -18.338 2.964 -1.116 1.00 0.00 ? 35 LYS B H 8 ATOM 11253 H HA . LYS B 1 35 ? -20.553 2.970 0.634 1.00 0.00 ? 35 LYS B HA 8 ATOM 11254 H HB2 . LYS B 1 35 ? -18.124 4.226 0.579 1.00 0.00 ? 35 LYS B HB2 8 ATOM 11255 H HB3 . LYS B 1 35 ? -19.216 5.557 0.222 1.00 0.00 ? 35 LYS B HB3 8 ATOM 11256 H HG2 . LYS B 1 35 ? -18.749 5.364 2.613 1.00 0.00 ? 35 LYS B HG2 8 ATOM 11257 H HG3 . LYS B 1 35 ? -20.459 5.122 2.255 1.00 0.00 ? 35 LYS B HG3 8 ATOM 11258 H HD2 . LYS B 1 35 ? -20.429 3.053 3.093 1.00 0.00 ? 35 LYS B HD2 8 ATOM 11259 H HD3 . LYS B 1 35 ? -18.977 2.632 2.184 1.00 0.00 ? 35 LYS B HD3 8 ATOM 11260 H HE2 . LYS B 1 35 ? -18.251 2.429 4.366 1.00 0.00 ? 35 LYS B HE2 8 ATOM 11261 H HE3 . LYS B 1 35 ? -17.762 4.075 3.971 1.00 0.00 ? 35 LYS B HE3 8 ATOM 11262 H HZ1 . LYS B 1 35 ? -19.909 4.802 5.001 1.00 0.00 ? 35 LYS B HZ1 8 ATOM 11263 H HZ2 . LYS B 1 35 ? -20.106 3.220 5.570 1.00 0.00 ? 35 LYS B HZ2 8 ATOM 11264 H HZ3 . LYS B 1 35 ? -18.784 4.145 6.082 1.00 0.00 ? 35 LYS B HZ3 8 ATOM 11265 N N . GLN B 1 36 ? -20.771 4.877 -2.027 1.00 0.00 ? 36 GLN B N 8 ATOM 11266 C CA . GLN B 1 36 ? -21.697 5.645 -2.853 1.00 0.00 ? 36 GLN B CA 8 ATOM 11267 C C . GLN B 1 36 ? -22.729 4.732 -3.506 1.00 0.00 ? 36 GLN B C 8 ATOM 11268 O O . GLN B 1 36 ? -23.833 5.162 -3.835 1.00 0.00 ? 36 GLN B O 8 ATOM 11269 C CB . GLN B 1 36 ? -20.932 6.422 -3.926 1.00 0.00 ? 36 GLN B CB 8 ATOM 11270 C CG . GLN B 1 36 ? -21.834 7.147 -4.911 1.00 0.00 ? 36 GLN B CG 8 ATOM 11271 C CD . GLN B 1 36 ? -21.216 8.430 -5.432 1.00 0.00 ? 36 GLN B CD 8 ATOM 11272 O OE1 . GLN B 1 36 ? -20.031 8.473 -5.760 1.00 0.00 ? 36 GLN B OE1 8 ATOM 11273 N NE2 . GLN B 1 36 ? -22.019 9.485 -5.509 1.00 0.00 ? 36 GLN B NE2 8 ATOM 11274 H H . GLN B 1 36 ? -19.865 4.705 -2.359 1.00 0.00 ? 36 GLN B H 8 ATOM 11275 H HA . GLN B 1 36 ? -22.210 6.346 -2.210 1.00 0.00 ? 36 GLN B HA 8 ATOM 11276 H HB2 . GLN B 1 36 ? -20.300 7.153 -3.444 1.00 0.00 ? 36 GLN B HB2 8 ATOM 11277 H HB3 . GLN B 1 36 ? -20.311 5.732 -4.479 1.00 0.00 ? 36 GLN B HB3 8 ATOM 11278 H HG2 . GLN B 1 36 ? -22.029 6.494 -5.748 1.00 0.00 ? 36 GLN B HG2 8 ATOM 11279 H HG3 . GLN B 1 36 ? -22.765 7.386 -4.418 1.00 0.00 ? 36 GLN B HG3 8 ATOM 11280 H HE21 . GLN B 1 36 ? -22.953 9.377 -5.229 1.00 0.00 ? 36 GLN B HE21 8 ATOM 11281 H HE22 . GLN B 1 36 ? -21.647 10.327 -5.841 1.00 0.00 ? 36 GLN B HE22 8 ATOM 11282 N N . SER B 1 37 ? -22.360 3.468 -3.691 1.00 0.00 ? 37 SER B N 8 ATOM 11283 C CA . SER B 1 37 ? -23.253 2.494 -4.304 1.00 0.00 ? 37 SER B CA 8 ATOM 11284 C C . SER B 1 37 ? -24.268 1.974 -3.292 1.00 0.00 ? 37 SER B C 8 ATOM 11285 O O . SER B 1 37 ? -25.358 1.534 -3.660 1.00 0.00 ? 37 SER B O 8 ATOM 11286 C CB . SER B 1 37 ? -22.450 1.328 -4.885 1.00 0.00 ? 37 SER B CB 8 ATOM 11287 O OG . SER B 1 37 ? -22.256 1.487 -6.280 1.00 0.00 ? 37 SER B OG 8 ATOM 11288 H H . SER B 1 37 ? -21.466 3.185 -3.407 1.00 0.00 ? 37 SER B H 8 ATOM 11289 H HA . SER B 1 37 ? -23.783 2.988 -5.105 1.00 0.00 ? 37 SER B HA 8 ATOM 11290 H HB2 . SER B 1 37 ? -21.485 1.284 -4.403 1.00 0.00 ? 37 SER B HB2 8 ATOM 11291 H HB3 . SER B 1 37 ? -22.982 0.405 -4.710 1.00 0.00 ? 37 SER B HB3 8 ATOM 11292 H HG . SER B 1 37 ? -22.493 0.673 -6.731 1.00 0.00 ? 37 SER B HG 8 ATOM 11293 N N . GLU B 1 38 ? -23.903 2.027 -2.015 1.00 0.00 ? 38 GLU B N 8 ATOM 11294 C CA . GLU B 1 38 ? -24.782 1.561 -0.949 1.00 0.00 ? 38 GLU B CA 8 ATOM 11295 C C . GLU B 1 38 ? -25.883 2.579 -0.671 1.00 0.00 ? 38 GLU B C 8 ATOM 11296 O O . GLU B 1 38 ? -26.961 2.227 -0.191 1.00 0.00 ? 38 GLU B O 8 ATOM 11297 C CB . GLU B 1 38 ? -23.979 1.299 0.326 1.00 0.00 ? 38 GLU B CB 8 ATOM 11298 C CG . GLU B 1 38 ? -24.158 -0.105 0.881 1.00 0.00 ? 38 GLU B CG 8 ATOM 11299 C CD . GLU B 1 38 ? -23.332 -0.347 2.129 1.00 0.00 ? 38 GLU B CD 8 ATOM 11300 O OE1 . GLU B 1 38 ? -23.311 0.539 3.009 1.00 0.00 ? 38 GLU B OE1 8 ATOM 11301 O OE2 . GLU B 1 38 ? -22.707 -1.423 2.228 1.00 0.00 ? 38 GLU B OE2 8 ATOM 11302 H H . GLU B 1 38 ? -23.022 2.388 -1.784 1.00 0.00 ? 38 GLU B H 8 ATOM 11303 H HA . GLU B 1 38 ? -25.236 0.637 -1.274 1.00 0.00 ? 38 GLU B HA 8 ATOM 11304 H HB2 . GLU B 1 38 ? -22.930 1.449 0.114 1.00 0.00 ? 38 GLU B HB2 8 ATOM 11305 H HB3 . GLU B 1 38 ? -24.288 2.005 1.083 1.00 0.00 ? 38 GLU B HB3 8 ATOM 11306 H HG2 . GLU B 1 38 ? -25.200 -0.252 1.122 1.00 0.00 ? 38 GLU B HG2 8 ATOM 11307 H HG3 . GLU B 1 38 ? -23.860 -0.816 0.125 1.00 0.00 ? 38 GLU B HG3 8 ATOM 11308 N N . ASP B 1 39 ? -25.605 3.842 -0.976 1.00 0.00 ? 39 ASP B N 8 ATOM 11309 C CA . ASP B 1 39 ? -26.573 4.911 -0.759 1.00 0.00 ? 39 ASP B CA 8 ATOM 11310 C C . ASP B 1 39 ? -27.705 4.834 -1.778 1.00 0.00 ? 39 ASP B C 8 ATOM 11311 O O . ASP B 1 39 ? -28.829 5.256 -1.504 1.00 0.00 ? 39 ASP B O 8 ATOM 11312 C CB . ASP B 1 39 ? -25.886 6.275 -0.844 1.00 0.00 ? 39 ASP B CB 8 ATOM 11313 C CG . ASP B 1 39 ? -26.423 7.257 0.180 1.00 0.00 ? 39 ASP B CG 8 ATOM 11314 O OD1 . ASP B 1 39 ? -27.584 7.093 0.608 1.00 0.00 ? 39 ASP B OD1 8 ATOM 11315 O OD2 . ASP B 1 39 ? -25.681 8.191 0.551 1.00 0.00 ? 39 ASP B OD2 8 ATOM 11316 H H . ASP B 1 39 ? -24.729 4.061 -1.356 1.00 0.00 ? 39 ASP B H 8 ATOM 11317 H HA . ASP B 1 39 ? -26.987 4.787 0.231 1.00 0.00 ? 39 ASP B HA 8 ATOM 11318 H HB2 . ASP B 1 39 ? -24.827 6.150 -0.672 1.00 0.00 ? 39 ASP B HB2 8 ATOM 11319 H HB3 . ASP B 1 39 ? -26.041 6.688 -1.829 1.00 0.00 ? 39 ASP B HB3 8 ATOM 11320 N N . ASP B 1 40 ? -27.401 4.295 -2.953 1.00 0.00 ? 40 ASP B N 8 ATOM 11321 C CA . ASP B 1 40 ? -28.394 4.163 -4.013 1.00 0.00 ? 40 ASP B CA 8 ATOM 11322 C C . ASP B 1 40 ? -29.103 5.490 -4.262 1.00 0.00 ? 40 ASP B C 8 ATOM 11323 O O . ASP B 1 40 ? -30.159 5.757 -3.690 1.00 0.00 ? 40 ASP B O 8 ATOM 11324 C CB . ASP B 1 40 ? -29.416 3.084 -3.652 1.00 0.00 ? 40 ASP B CB 8 ATOM 11325 C CG . ASP B 1 40 ? -28.834 1.686 -3.735 1.00 0.00 ? 40 ASP B CG 8 ATOM 11326 O OD1 . ASP B 1 40 ? -28.410 1.284 -4.839 1.00 0.00 ? 40 ASP B OD1 8 ATOM 11327 O OD2 . ASP B 1 40 ? -28.804 0.993 -2.696 1.00 0.00 ? 40 ASP B OD2 8 ATOM 11328 H H . ASP B 1 40 ? -26.488 3.977 -3.112 1.00 0.00 ? 40 ASP B H 8 ATOM 11329 H HA . ASP B 1 40 ? -27.877 3.870 -4.916 1.00 0.00 ? 40 ASP B HA 8 ATOM 11330 H HB2 . ASP B 1 40 ? -29.763 3.249 -2.644 1.00 0.00 ? 40 ASP B HB2 8 ATOM 11331 H HB3 . ASP B 1 40 ? -30.253 3.147 -4.332 1.00 0.00 ? 40 ASP B HB3 8 ATOM 11332 N N . ASP B 1 41 ? -28.516 6.318 -5.120 1.00 0.00 ? 41 ASP B N 8 ATOM 11333 C CA . ASP B 1 41 ? -29.092 7.618 -5.444 1.00 0.00 ? 41 ASP B CA 8 ATOM 11334 C C . ASP B 1 41 ? -29.146 7.827 -6.954 1.00 0.00 ? 41 ASP B C 8 ATOM 11335 O O . ASP B 1 41 ? -30.089 8.496 -7.424 1.00 0.00 ? 41 ASP B O 8 ATOM 11336 C CB . ASP B 1 41 ? -28.279 8.737 -4.790 1.00 0.00 ? 41 ASP B CB 8 ATOM 11337 C CG . ASP B 1 41 ? -26.787 8.474 -4.840 1.00 0.00 ? 41 ASP B CG 8 ATOM 11338 O OD1 . ASP B 1 41 ? -26.238 8.381 -5.959 1.00 0.00 ? 41 ASP B OD1 8 ATOM 11339 O OD2 . ASP B 1 41 ? -26.167 8.361 -3.762 1.00 0.00 ? 41 ASP B OD2 8 ATOM 11340 O OXT . ASP B 1 41 ? -28.243 7.321 -7.653 1.00 0.00 ? 41 ASP B OXT 8 ATOM 11341 H H . ASP B 1 41 ? -27.674 6.049 -5.544 1.00 0.00 ? 41 ASP B H 8 ATOM 11342 H HA . ASP B 1 41 ? -30.098 7.640 -5.054 1.00 0.00 ? 41 ASP B HA 8 ATOM 11343 H HB2 . ASP B 1 41 ? -28.479 9.665 -5.304 1.00 0.00 ? 41 ASP B HB2 8 ATOM 11344 H HB3 . ASP B 1 41 ? -28.576 8.831 -3.756 1.00 0.00 ? 41 ASP B HB3 8 ATOM 11345 N N . ALA A 1 1 ? -31.676 -4.568 9.292 1.00 0.00 ? 1 ALA A N 9 ATOM 11346 C CA . ALA A 1 1 ? -30.833 -3.533 8.639 1.00 0.00 ? 1 ALA A CA 9 ATOM 11347 C C . ALA A 1 1 ? -30.992 -3.574 7.123 1.00 0.00 ? 1 ALA A C 9 ATOM 11348 O O . ALA A 1 1 ? -31.101 -4.647 6.530 1.00 0.00 ? 1 ALA A O 9 ATOM 11349 C CB . ALA A 1 1 ? -29.373 -3.726 9.022 1.00 0.00 ? 1 ALA A CB 9 ATOM 11350 H H1 . ALA A 1 1 ? -31.414 -5.491 8.892 1.00 0.00 ? 1 ALA A H1 9 ATOM 11351 H H2 . ALA A 1 1 ? -31.486 -4.533 10.314 1.00 0.00 ? 1 ALA A H2 9 ATOM 11352 H H3 . ALA A 1 1 ? -32.671 -4.342 9.087 1.00 0.00 ? 1 ALA A H3 9 ATOM 11353 H HA . ALA A 1 1 ? -31.148 -2.564 8.997 1.00 0.00 ? 1 ALA A HA 9 ATOM 11354 H HB1 . ALA A 1 1 ? -29.098 -2.998 9.770 1.00 0.00 ? 1 ALA A HB1 9 ATOM 11355 H HB2 . ALA A 1 1 ? -29.233 -4.720 9.419 1.00 0.00 ? 1 ALA A HB2 9 ATOM 11356 H HB3 . ALA A 1 1 ? -28.752 -3.597 8.148 1.00 0.00 ? 1 ALA A HB3 9 ATOM 11357 N N . LEU A 1 2 ? -31.004 -2.399 6.503 1.00 0.00 ? 2 LEU A N 9 ATOM 11358 C CA . LEU A 1 2 ? -31.150 -2.300 5.056 1.00 0.00 ? 2 LEU A CA 9 ATOM 11359 C C . LEU A 1 2 ? -29.791 -2.138 4.382 1.00 0.00 ? 2 LEU A C 9 ATOM 11360 O O . LEU A 1 2 ? -28.924 -1.416 4.876 1.00 0.00 ? 2 LEU A O 9 ATOM 11361 C CB . LEU A 1 2 ? -32.057 -1.123 4.693 1.00 0.00 ? 2 LEU A CB 9 ATOM 11362 C CG . LEU A 1 2 ? -33.086 -1.411 3.598 1.00 0.00 ? 2 LEU A CG 9 ATOM 11363 C CD1 . LEU A 1 2 ? -34.131 -2.397 4.097 1.00 0.00 ? 2 LEU A CD1 9 ATOM 11364 C CD2 . LEU A 1 2 ? -33.746 -0.121 3.135 1.00 0.00 ? 2 LEU A CD2 9 ATOM 11365 H H . LEU A 1 2 ? -30.913 -1.578 7.032 1.00 0.00 ? 2 LEU A H 9 ATOM 11366 H HA . LEU A 1 2 ? -31.605 -3.215 4.705 1.00 0.00 ? 2 LEU A HA 9 ATOM 11367 H HB2 . LEU A 1 2 ? -32.584 -0.814 5.584 1.00 0.00 ? 2 LEU A HB2 9 ATOM 11368 H HB3 . LEU A 1 2 ? -31.434 -0.305 4.362 1.00 0.00 ? 2 LEU A HB3 9 ATOM 11369 H HG . LEU A 1 2 ? -32.585 -1.856 2.751 1.00 0.00 ? 2 LEU A HG 9 ATOM 11370 H HD11 . LEU A 1 2 ? -34.020 -2.532 5.162 1.00 0.00 ? 2 LEU A HD11 9 ATOM 11371 H HD12 . LEU A 1 2 ? -35.118 -2.014 3.885 1.00 0.00 ? 2 LEU A HD12 9 ATOM 11372 H HD13 . LEU A 1 2 ? -33.998 -3.346 3.598 1.00 0.00 ? 2 LEU A HD13 9 ATOM 11373 H HD21 . LEU A 1 2 ? -33.036 0.690 3.202 1.00 0.00 ? 2 LEU A HD21 9 ATOM 11374 H HD22 . LEU A 1 2 ? -34.072 -0.231 2.112 1.00 0.00 ? 2 LEU A HD22 9 ATOM 11375 H HD23 . LEU A 1 2 ? -34.597 0.093 3.763 1.00 0.00 ? 2 LEU A HD23 9 ATOM 11376 N N . LYS A 1 3 ? -29.613 -2.813 3.251 1.00 0.00 ? 3 LYS A N 9 ATOM 11377 C CA . LYS A 1 3 ? -28.359 -2.742 2.509 1.00 0.00 ? 3 LYS A CA 9 ATOM 11378 C C . LYS A 1 3 ? -27.177 -3.103 3.403 1.00 0.00 ? 3 LYS A C 9 ATOM 11379 O O . LYS A 1 3 ? -26.075 -2.582 3.231 1.00 0.00 ? 3 LYS A O 9 ATOM 11380 C CB . LYS A 1 3 ? -28.164 -1.342 1.926 1.00 0.00 ? 3 LYS A CB 9 ATOM 11381 C CG . LYS A 1 3 ? -29.038 -1.062 0.714 1.00 0.00 ? 3 LYS A CG 9 ATOM 11382 C CD . LYS A 1 3 ? -30.277 -0.266 1.092 1.00 0.00 ? 3 LYS A CD 9 ATOM 11383 C CE . LYS A 1 3 ? -30.859 0.463 -0.107 1.00 0.00 ? 3 LYS A CE 9 ATOM 11384 N NZ . LYS A 1 3 ? -31.786 1.555 0.303 1.00 0.00 ? 3 LYS A NZ 9 ATOM 11385 H H . LYS A 1 3 ? -30.340 -3.372 2.908 1.00 0.00 ? 3 LYS A H 9 ATOM 11386 H HA . LYS A 1 3 ? -28.413 -3.455 1.700 1.00 0.00 ? 3 LYS A HA 9 ATOM 11387 H HB2 . LYS A 1 3 ? -28.397 -0.612 2.687 1.00 0.00 ? 3 LYS A HB2 9 ATOM 11388 H HB3 . LYS A 1 3 ? -27.132 -1.227 1.632 1.00 0.00 ? 3 LYS A HB3 9 ATOM 11389 H HG2 . LYS A 1 3 ? -28.467 -0.496 -0.006 1.00 0.00 ? 3 LYS A HG2 9 ATOM 11390 H HG3 . LYS A 1 3 ? -29.344 -2.001 0.278 1.00 0.00 ? 3 LYS A HG3 9 ATOM 11391 H HD2 . LYS A 1 3 ? -31.021 -0.943 1.485 1.00 0.00 ? 3 LYS A HD2 9 ATOM 11392 H HD3 . LYS A 1 3 ? -30.011 0.458 1.849 1.00 0.00 ? 3 LYS A HD3 9 ATOM 11393 H HE2 . LYS A 1 3 ? -30.049 0.888 -0.681 1.00 0.00 ? 3 LYS A HE2 9 ATOM 11394 H HE3 . LYS A 1 3 ? -31.398 -0.247 -0.717 1.00 0.00 ? 3 LYS A HE3 9 ATOM 11395 H HZ1 . LYS A 1 3 ? -31.387 2.080 1.106 1.00 0.00 ? 3 LYS A HZ1 9 ATOM 11396 H HZ2 . LYS A 1 3 ? -31.935 2.213 -0.490 1.00 0.00 ? 3 LYS A HZ2 9 ATOM 11397 H HZ3 . LYS A 1 3 ? -32.704 1.157 0.585 1.00 0.00 ? 3 LYS A HZ3 9 ATOM 11398 N N . LYS A 1 4 ? -27.413 -3.995 4.359 1.00 0.00 ? 4 LYS A N 9 ATOM 11399 C CA . LYS A 1 4 ? -26.368 -4.424 5.280 1.00 0.00 ? 4 LYS A CA 9 ATOM 11400 C C . LYS A 1 4 ? -25.220 -5.090 4.529 1.00 0.00 ? 4 LYS A C 9 ATOM 11401 O O . LYS A 1 4 ? -24.053 -4.921 4.881 1.00 0.00 ? 4 LYS A O 9 ATOM 11402 C CB . LYS A 1 4 ? -26.940 -5.389 6.321 1.00 0.00 ? 4 LYS A CB 9 ATOM 11403 C CG . LYS A 1 4 ? -26.551 -5.045 7.749 1.00 0.00 ? 4 LYS A CG 9 ATOM 11404 C CD . LYS A 1 4 ? -25.525 -6.021 8.298 1.00 0.00 ? 4 LYS A CD 9 ATOM 11405 C CE . LYS A 1 4 ? -24.919 -5.521 9.598 1.00 0.00 ? 4 LYS A CE 9 ATOM 11406 N NZ . LYS A 1 4 ? -23.435 -5.657 9.609 1.00 0.00 ? 4 LYS A NZ 9 ATOM 11407 H H . LYS A 1 4 ? -28.313 -4.374 4.446 1.00 0.00 ? 4 LYS A H 9 ATOM 11408 H HA . LYS A 1 4 ? -25.990 -3.547 5.784 1.00 0.00 ? 4 LYS A HA 9 ATOM 11409 H HB2 . LYS A 1 4 ? -28.017 -5.378 6.251 1.00 0.00 ? 4 LYS A HB2 9 ATOM 11410 H HB3 . LYS A 1 4 ? -26.585 -6.386 6.104 1.00 0.00 ? 4 LYS A HB3 9 ATOM 11411 H HG2 . LYS A 1 4 ? -26.131 -4.049 7.768 1.00 0.00 ? 4 LYS A HG2 9 ATOM 11412 H HG3 . LYS A 1 4 ? -27.434 -5.076 8.370 1.00 0.00 ? 4 LYS A HG3 9 ATOM 11413 H HD2 . LYS A 1 4 ? -26.007 -6.970 8.480 1.00 0.00 ? 4 LYS A HD2 9 ATOM 11414 H HD3 . LYS A 1 4 ? -24.737 -6.149 7.569 1.00 0.00 ? 4 LYS A HD3 9 ATOM 11415 H HE2 . LYS A 1 4 ? -25.175 -4.479 9.722 1.00 0.00 ? 4 LYS A HE2 9 ATOM 11416 H HE3 . LYS A 1 4 ? -25.329 -6.093 10.417 1.00 0.00 ? 4 LYS A HE3 9 ATOM 11417 H HZ1 . LYS A 1 4 ? -23.166 -6.647 9.438 1.00 0.00 ? 4 LYS A HZ1 9 ATOM 11418 H HZ2 . LYS A 1 4 ? -23.017 -5.062 8.865 1.00 0.00 ? 4 LYS A HZ2 9 ATOM 11419 H HZ3 . LYS A 1 4 ? -23.055 -5.360 10.530 1.00 0.00 ? 4 LYS A HZ3 9 ATOM 11420 N N . HIS A 1 5 ? -25.561 -5.850 3.491 1.00 0.00 ? 5 HIS A N 9 ATOM 11421 C CA . HIS A 1 5 ? -24.558 -6.542 2.690 1.00 0.00 ? 5 HIS A CA 9 ATOM 11422 C C . HIS A 1 5 ? -23.534 -5.558 2.135 1.00 0.00 ? 5 HIS A C 9 ATOM 11423 O O . HIS A 1 5 ? -22.327 -5.792 2.212 1.00 0.00 ? 5 HIS A O 9 ATOM 11424 C CB . HIS A 1 5 ? -25.226 -7.301 1.543 1.00 0.00 ? 5 HIS A CB 9 ATOM 11425 C CG . HIS A 1 5 ? -26.354 -6.550 0.905 1.00 0.00 ? 5 HIS A CG 9 ATOM 11426 N ND1 . HIS A 1 5 ? -27.677 -6.755 1.235 1.00 0.00 ? 5 HIS A ND1 9 ATOM 11427 C CD2 . HIS A 1 5 ? -26.351 -5.590 -0.050 1.00 0.00 ? 5 HIS A CD2 9 ATOM 11428 C CE1 . HIS A 1 5 ? -28.439 -5.954 0.511 1.00 0.00 ? 5 HIS A CE1 9 ATOM 11429 N NE2 . HIS A 1 5 ? -27.659 -5.237 -0.275 1.00 0.00 ? 5 HIS A NE2 9 ATOM 11430 H H . HIS A 1 5 ? -26.507 -5.946 3.260 1.00 0.00 ? 5 HIS A H 9 ATOM 11431 H HA . HIS A 1 5 ? -24.051 -7.247 3.331 1.00 0.00 ? 5 HIS A HA 9 ATOM 11432 H HB2 . HIS A 1 5 ? -24.491 -7.507 0.779 1.00 0.00 ? 5 HIS A HB2 9 ATOM 11433 H HB3 . HIS A 1 5 ? -25.618 -8.235 1.920 1.00 0.00 ? 5 HIS A HB3 9 ATOM 11434 H HD1 . HIS A 1 5 ? -28.010 -7.393 1.901 1.00 0.00 ? 5 HIS A HD1 9 ATOM 11435 H HD2 . HIS A 1 5 ? -25.481 -5.178 -0.543 1.00 0.00 ? 5 HIS A HD2 9 ATOM 11436 H HE1 . HIS A 1 5 ? -29.517 -5.895 0.557 1.00 0.00 ? 5 HIS A HE1 9 ATOM 11437 H HE2 . HIS A 1 5 ? -27.966 -4.562 -0.916 1.00 0.00 ? 5 HIS A HE2 9 ATOM 11438 N N . HIS A 1 6 ? -24.022 -4.455 1.577 1.00 0.00 ? 6 HIS A N 9 ATOM 11439 C CA . HIS A 1 6 ? -23.148 -3.435 1.010 1.00 0.00 ? 6 HIS A CA 9 ATOM 11440 C C . HIS A 1 6 ? -22.217 -2.867 2.075 1.00 0.00 ? 6 HIS A C 9 ATOM 11441 O O . HIS A 1 6 ? -21.013 -2.744 1.857 1.00 0.00 ? 6 HIS A O 9 ATOM 11442 C CB . HIS A 1 6 ? -23.977 -2.311 0.386 1.00 0.00 ? 6 HIS A CB 9 ATOM 11443 C CG . HIS A 1 6 ? -23.757 -2.151 -1.086 1.00 0.00 ? 6 HIS A CG 9 ATOM 11444 N ND1 . HIS A 1 6 ? -23.457 -3.206 -1.921 1.00 0.00 ? 6 HIS A ND1 9 ATOM 11445 C CD2 . HIS A 1 6 ? -23.794 -1.048 -1.872 1.00 0.00 ? 6 HIS A CD2 9 ATOM 11446 C CE1 . HIS A 1 6 ? -23.319 -2.760 -3.158 1.00 0.00 ? 6 HIS A CE1 9 ATOM 11447 N NE2 . HIS A 1 6 ? -23.520 -1.456 -3.155 1.00 0.00 ? 6 HIS A NE2 9 ATOM 11448 H H . HIS A 1 6 ? -24.993 -4.324 1.547 1.00 0.00 ? 6 HIS A H 9 ATOM 11449 H HA . HIS A 1 6 ? -22.552 -3.901 0.240 1.00 0.00 ? 6 HIS A HA 9 ATOM 11450 H HB2 . HIS A 1 6 ? -25.026 -2.516 0.544 1.00 0.00 ? 6 HIS A HB2 9 ATOM 11451 H HB3 . HIS A 1 6 ? -23.722 -1.376 0.865 1.00 0.00 ? 6 HIS A HB3 9 ATOM 11452 H HD1 . HIS A 1 6 ? -23.360 -4.142 -1.649 1.00 0.00 ? 6 HIS A HD1 9 ATOM 11453 H HD2 . HIS A 1 6 ? -24.003 -0.037 -1.552 1.00 0.00 ? 6 HIS A HD2 9 ATOM 11454 H HE1 . HIS A 1 6 ? -23.084 -3.361 -4.023 1.00 0.00 ? 6 HIS A HE1 9 ATOM 11455 H HE2 . HIS A 1 6 ? -23.477 -0.874 -3.941 1.00 0.00 ? 6 HIS A HE2 9 ATOM 11456 N N . GLU A 1 7 ? -22.782 -2.527 3.229 1.00 0.00 ? 7 GLU A N 9 ATOM 11457 C CA . GLU A 1 7 ? -21.998 -1.976 4.328 1.00 0.00 ? 7 GLU A CA 9 ATOM 11458 C C . GLU A 1 7 ? -20.880 -2.933 4.723 1.00 0.00 ? 7 GLU A C 9 ATOM 11459 O O . GLU A 1 7 ? -19.854 -2.517 5.262 1.00 0.00 ? 7 GLU A O 9 ATOM 11460 C CB . GLU A 1 7 ? -22.896 -1.695 5.534 1.00 0.00 ? 7 GLU A CB 9 ATOM 11461 C CG . GLU A 1 7 ? -22.280 -0.736 6.540 1.00 0.00 ? 7 GLU A CG 9 ATOM 11462 C CD . GLU A 1 7 ? -23.162 -0.518 7.754 1.00 0.00 ? 7 GLU A CD 9 ATOM 11463 O OE1 . GLU A 1 7 ? -24.349 -0.906 7.702 1.00 0.00 ? 7 GLU A OE1 9 ATOM 11464 O OE2 . GLU A 1 7 ? -22.667 0.039 8.755 1.00 0.00 ? 7 GLU A OE2 9 ATOM 11465 H H . GLU A 1 7 ? -23.747 -2.651 3.345 1.00 0.00 ? 7 GLU A H 9 ATOM 11466 H HA . GLU A 1 7 ? -21.560 -1.050 3.990 1.00 0.00 ? 7 GLU A HA 9 ATOM 11467 H HB2 . GLU A 1 7 ? -23.825 -1.268 5.185 1.00 0.00 ? 7 GLU A HB2 9 ATOM 11468 H HB3 . GLU A 1 7 ? -23.105 -2.626 6.038 1.00 0.00 ? 7 GLU A HB3 9 ATOM 11469 H HG2 . GLU A 1 7 ? -21.335 -1.140 6.870 1.00 0.00 ? 7 GLU A HG2 9 ATOM 11470 H HG3 . GLU A 1 7 ? -22.116 0.216 6.057 1.00 0.00 ? 7 GLU A HG3 9 ATOM 11471 N N . ASN A 1 8 ? -21.081 -4.218 4.444 1.00 0.00 ? 8 ASN A N 9 ATOM 11472 C CA . ASN A 1 8 ? -20.085 -5.233 4.765 1.00 0.00 ? 8 ASN A CA 9 ATOM 11473 C C . ASN A 1 8 ? -18.885 -5.109 3.835 1.00 0.00 ? 8 ASN A C 9 ATOM 11474 O O . ASN A 1 8 ? -17.757 -4.905 4.284 1.00 0.00 ? 8 ASN A O 9 ATOM 11475 C CB . ASN A 1 8 ? -20.693 -6.632 4.653 1.00 0.00 ? 8 ASN A CB 9 ATOM 11476 C CG . ASN A 1 8 ? -20.730 -7.355 5.986 1.00 0.00 ? 8 ASN A CG 9 ATOM 11477 O OD1 . ASN A 1 8 ? -20.417 -6.777 7.027 1.00 0.00 ? 8 ASN A OD1 9 ATOM 11478 N ND2 . ASN A 1 8 ? -21.112 -8.626 5.960 1.00 0.00 ? 8 ASN A ND2 9 ATOM 11479 H H . ASN A 1 8 ? -21.916 -4.488 4.009 1.00 0.00 ? 8 ASN A H 9 ATOM 11480 H HA . ASN A 1 8 ? -19.758 -5.069 5.781 1.00 0.00 ? 8 ASN A HA 9 ATOM 11481 H HB2 . ASN A 1 8 ? -21.705 -6.550 4.283 1.00 0.00 ? 8 ASN A HB2 9 ATOM 11482 H HB3 . ASN A 1 8 ? -20.107 -7.219 3.962 1.00 0.00 ? 8 ASN A HB3 9 ATOM 11483 H HD21 . ASN A 1 8 ? -21.346 -9.021 5.094 1.00 0.00 ? 8 ASN A HD21 9 ATOM 11484 H HD22 . ASN A 1 8 ? -21.143 -9.117 6.807 1.00 0.00 ? 8 ASN A HD22 9 ATOM 11485 N N . GLU A 1 9 ? -19.138 -5.220 2.536 1.00 0.00 ? 9 GLU A N 9 ATOM 11486 C CA . GLU A 1 9 ? -18.078 -5.103 1.543 1.00 0.00 ? 9 GLU A CA 9 ATOM 11487 C C . GLU A 1 9 ? -17.375 -3.754 1.667 1.00 0.00 ? 9 GLU A C 9 ATOM 11488 O O . GLU A 1 9 ? -16.234 -3.595 1.231 1.00 0.00 ? 9 GLU A O 9 ATOM 11489 C CB . GLU A 1 9 ? -18.651 -5.267 0.134 1.00 0.00 ? 9 GLU A CB 9 ATOM 11490 C CG . GLU A 1 9 ? -17.678 -5.897 -0.850 1.00 0.00 ? 9 GLU A CG 9 ATOM 11491 C CD . GLU A 1 9 ? -17.570 -7.399 -0.682 1.00 0.00 ? 9 GLU A CD 9 ATOM 11492 O OE1 . GLU A 1 9 ? -18.503 -8.113 -1.106 1.00 0.00 ? 9 GLU A OE1 9 ATOM 11493 O OE2 . GLU A 1 9 ? -16.551 -7.863 -0.127 1.00 0.00 ? 9 GLU A OE2 9 ATOM 11494 H H . GLU A 1 9 ? -20.060 -5.371 2.237 1.00 0.00 ? 9 GLU A H 9 ATOM 11495 H HA . GLU A 1 9 ? -17.362 -5.889 1.727 1.00 0.00 ? 9 GLU A HA 9 ATOM 11496 H HB2 . GLU A 1 9 ? -19.530 -5.891 0.185 1.00 0.00 ? 9 GLU A HB2 9 ATOM 11497 H HB3 . GLU A 1 9 ? -18.932 -4.295 -0.243 1.00 0.00 ? 9 GLU A HB3 9 ATOM 11498 H HG2 . GLU A 1 9 ? -18.013 -5.685 -1.854 1.00 0.00 ? 9 GLU A HG2 9 ATOM 11499 H HG3 . GLU A 1 9 ? -16.701 -5.460 -0.698 1.00 0.00 ? 9 GLU A HG3 9 ATOM 11500 N N . ILE A 1 10 ? -18.065 -2.785 2.266 1.00 0.00 ? 10 ILE A N 9 ATOM 11501 C CA . ILE A 1 10 ? -17.513 -1.452 2.451 1.00 0.00 ? 10 ILE A CA 9 ATOM 11502 C C . ILE A 1 10 ? -16.438 -1.463 3.544 1.00 0.00 ? 10 ILE A C 9 ATOM 11503 O O . ILE A 1 10 ? -15.329 -0.967 3.345 1.00 0.00 ? 10 ILE A O 9 ATOM 11504 C CB . ILE A 1 10 ? -18.658 -0.429 2.759 1.00 0.00 ? 10 ILE A CB 9 ATOM 11505 C CG1 . ILE A 1 10 ? -18.712 0.644 1.672 1.00 0.00 ? 10 ILE A CG1 9 ATOM 11506 C CG2 . ILE A 1 10 ? -18.545 0.226 4.139 1.00 0.00 ? 10 ILE A CG2 9 ATOM 11507 C CD1 . ILE A 1 10 ? -20.084 0.800 1.052 1.00 0.00 ? 10 ILE A CD1 9 ATOM 11508 H H . ILE A 1 10 ? -18.968 -2.972 2.592 1.00 0.00 ? 10 ILE A H 9 ATOM 11509 H HA . ILE A 1 10 ? -17.046 -1.164 1.520 1.00 0.00 ? 10 ILE A HA 9 ATOM 11510 H HB . ILE A 1 10 ? -19.591 -0.974 2.740 1.00 0.00 ? 10 ILE A HB 9 ATOM 11511 H HG12 . ILE A 1 10 ? -18.431 1.595 2.098 1.00 0.00 ? 10 ILE A HG12 9 ATOM 11512 H HG13 . ILE A 1 10 ? -18.018 0.387 0.884 1.00 0.00 ? 10 ILE A HG13 9 ATOM 11513 H HG21 . ILE A 1 10 ? -17.536 0.582 4.286 1.00 0.00 ? 10 ILE A HG21 9 ATOM 11514 H HG22 . ILE A 1 10 ? -19.233 1.056 4.201 1.00 0.00 ? 10 ILE A HG22 9 ATOM 11515 H HG23 . ILE A 1 10 ? -18.788 -0.500 4.901 1.00 0.00 ? 10 ILE A HG23 9 ATOM 11516 H HD11 . ILE A 1 10 ? -20.674 -0.081 1.260 1.00 0.00 ? 10 ILE A HD11 9 ATOM 11517 H HD12 . ILE A 1 10 ? -20.571 1.668 1.471 1.00 0.00 ? 10 ILE A HD12 9 ATOM 11518 H HD13 . ILE A 1 10 ? -19.984 0.924 -0.016 1.00 0.00 ? 10 ILE A HD13 9 ATOM 11519 N N . SER A 1 11 ? -16.779 -2.033 4.695 1.00 0.00 ? 11 SER A N 9 ATOM 11520 C CA . SER A 1 11 ? -15.849 -2.109 5.815 1.00 0.00 ? 11 SER A CA 9 ATOM 11521 C C . SER A 1 11 ? -14.623 -2.938 5.448 1.00 0.00 ? 11 SER A C 9 ATOM 11522 O O . SER A 1 11 ? -13.529 -2.713 5.970 1.00 0.00 ? 11 SER A O 9 ATOM 11523 C CB . SER A 1 11 ? -16.540 -2.713 7.039 1.00 0.00 ? 11 SER A CB 9 ATOM 11524 O OG . SER A 1 11 ? -17.784 -2.080 7.287 1.00 0.00 ? 11 SER A OG 9 ATOM 11525 H H . SER A 1 11 ? -17.678 -2.412 4.794 1.00 0.00 ? 11 SER A H 9 ATOM 11526 H HA . SER A 1 11 ? -15.533 -1.104 6.051 1.00 0.00 ? 11 SER A HA 9 ATOM 11527 H HB2 . SER A 1 11 ? -16.713 -3.765 6.869 1.00 0.00 ? 11 SER A HB2 9 ATOM 11528 H HB3 . SER A 1 11 ? -15.907 -2.587 7.905 1.00 0.00 ? 11 SER A HB3 9 ATOM 11529 H HG . SER A 1 11 ? -17.985 -2.128 8.224 1.00 0.00 ? 11 SER A HG 9 ATOM 11530 N N . HIS A 1 12 ? -14.809 -3.895 4.545 1.00 0.00 ? 12 HIS A N 9 ATOM 11531 C CA . HIS A 1 12 ? -13.717 -4.752 4.112 1.00 0.00 ? 12 HIS A CA 9 ATOM 11532 C C . HIS A 1 12 ? -12.729 -3.957 3.253 1.00 0.00 ? 12 HIS A C 9 ATOM 11533 O O . HIS A 1 12 ? -11.517 -4.028 3.464 1.00 0.00 ? 12 HIS A O 9 ATOM 11534 C CB . HIS A 1 12 ? -14.288 -5.992 3.383 1.00 0.00 ? 12 HIS A CB 9 ATOM 11535 C CG . HIS A 1 12 ? -13.665 -6.322 2.056 1.00 0.00 ? 12 HIS A CG 9 ATOM 11536 N ND1 . HIS A 1 12 ? -12.425 -6.912 1.928 1.00 0.00 ? 12 HIS A ND1 9 ATOM 11537 C CD2 . HIS A 1 12 ? -14.128 -6.142 0.800 1.00 0.00 ? 12 HIS A CD2 9 ATOM 11538 C CE1 . HIS A 1 12 ? -12.152 -7.079 0.646 1.00 0.00 ? 12 HIS A CE1 9 ATOM 11539 N NE2 . HIS A 1 12 ? -13.170 -6.621 -0.059 1.00 0.00 ? 12 HIS A NE2 9 ATOM 11540 H H . HIS A 1 12 ? -15.702 -4.027 4.161 1.00 0.00 ? 12 HIS A H 9 ATOM 11541 H HA . HIS A 1 12 ? -13.198 -5.084 5.001 1.00 0.00 ? 12 HIS A HA 9 ATOM 11542 H HB2 . HIS A 1 12 ? -14.161 -6.854 4.019 1.00 0.00 ? 12 HIS A HB2 9 ATOM 11543 H HB3 . HIS A 1 12 ? -15.345 -5.836 3.219 1.00 0.00 ? 12 HIS A HB3 9 ATOM 11544 H HD1 . HIS A 1 12 ? -11.833 -7.168 2.665 1.00 0.00 ? 12 HIS A HD1 9 ATOM 11545 H HD2 . HIS A 1 12 ? -15.074 -5.697 0.525 1.00 0.00 ? 12 HIS A HD2 9 ATOM 11546 H HE1 . HIS A 1 12 ? -11.251 -7.518 0.243 1.00 0.00 ? 12 HIS A HE1 9 ATOM 11547 H HE2 . HIS A 1 12 ? -13.229 -6.624 -1.037 1.00 0.00 ? 12 HIS A HE2 9 ATOM 11548 N N . HIS A 1 13 ? -13.248 -3.188 2.298 1.00 0.00 ? 13 HIS A N 9 ATOM 11549 C CA . HIS A 1 13 ? -12.391 -2.378 1.442 1.00 0.00 ? 13 HIS A CA 9 ATOM 11550 C C . HIS A 1 13 ? -11.652 -1.338 2.271 1.00 0.00 ? 13 HIS A C 9 ATOM 11551 O O . HIS A 1 13 ? -10.570 -0.892 1.899 1.00 0.00 ? 13 HIS A O 9 ATOM 11552 C CB . HIS A 1 13 ? -13.198 -1.672 0.353 1.00 0.00 ? 13 HIS A CB 9 ATOM 11553 C CG . HIS A 1 13 ? -14.045 -2.581 -0.473 1.00 0.00 ? 13 HIS A CG 9 ATOM 11554 N ND1 . HIS A 1 13 ? -13.709 -3.888 -0.753 1.00 0.00 ? 13 HIS A ND1 9 ATOM 11555 C CD2 . HIS A 1 13 ? -15.224 -2.355 -1.091 1.00 0.00 ? 13 HIS A CD2 9 ATOM 11556 C CE1 . HIS A 1 13 ? -14.648 -4.428 -1.511 1.00 0.00 ? 13 HIS A CE1 9 ATOM 11557 N NE2 . HIS A 1 13 ? -15.579 -3.518 -1.729 1.00 0.00 ? 13 HIS A NE2 9 ATOM 11558 H H . HIS A 1 13 ? -14.221 -3.155 2.179 1.00 0.00 ? 13 HIS A H 9 ATOM 11559 H HA . HIS A 1 13 ? -11.669 -3.033 0.977 1.00 0.00 ? 13 HIS A HA 9 ATOM 11560 H HB2 . HIS A 1 13 ? -13.850 -0.947 0.814 1.00 0.00 ? 13 HIS A HB2 9 ATOM 11561 H HB3 . HIS A 1 13 ? -12.516 -1.162 -0.311 1.00 0.00 ? 13 HIS A HB3 9 ATOM 11562 H HD1 . HIS A 1 13 ? -12.903 -4.351 -0.444 1.00 0.00 ? 13 HIS A HD1 9 ATOM 11563 H HD2 . HIS A 1 13 ? -15.777 -1.427 -1.086 1.00 0.00 ? 13 HIS A HD2 9 ATOM 11564 H HE1 . HIS A 1 13 ? -14.654 -5.441 -1.886 1.00 0.00 ? 13 HIS A HE1 9 ATOM 11565 H HE2 . HIS A 1 13 ? -16.391 -3.653 -2.261 1.00 0.00 ? 13 HIS A HE2 9 ATOM 11566 N N . ALA A 1 14 ? -12.249 -0.952 3.396 1.00 0.00 ? 14 ALA A N 9 ATOM 11567 C CA . ALA A 1 14 ? -11.647 0.036 4.280 1.00 0.00 ? 14 ALA A CA 9 ATOM 11568 C C . ALA A 1 14 ? -10.365 -0.508 4.890 1.00 0.00 ? 14 ALA A C 9 ATOM 11569 O O . ALA A 1 14 ? -9.314 0.124 4.817 1.00 0.00 ? 14 ALA A O 9 ATOM 11570 C CB . ALA A 1 14 ? -12.627 0.444 5.369 1.00 0.00 ? 14 ALA A CB 9 ATOM 11571 H H . ALA A 1 14 ? -13.115 -1.344 3.637 1.00 0.00 ? 14 ALA A H 9 ATOM 11572 H HA . ALA A 1 14 ? -11.410 0.910 3.690 1.00 0.00 ? 14 ALA A HA 9 ATOM 11573 H HB1 . ALA A 1 14 ? -12.105 1.001 6.133 1.00 0.00 ? 14 ALA A HB1 9 ATOM 11574 H HB2 . ALA A 1 14 ? -13.404 1.061 4.941 1.00 0.00 ? 14 ALA A HB2 9 ATOM 11575 H HB3 . ALA A 1 14 ? -13.068 -0.440 5.805 1.00 0.00 ? 14 ALA A HB3 9 ATOM 11576 N N . LYS A 1 15 ? -10.457 -1.694 5.481 1.00 0.00 ? 15 LYS A N 9 ATOM 11577 C CA . LYS A 1 15 ? -9.294 -2.326 6.086 1.00 0.00 ? 15 LYS A CA 9 ATOM 11578 C C . LYS A 1 15 ? -8.263 -2.677 5.016 1.00 0.00 ? 15 LYS A C 9 ATOM 11579 O O . LYS A 1 15 ? -7.080 -2.851 5.313 1.00 0.00 ? 15 LYS A O 9 ATOM 11580 C CB . LYS A 1 15 ? -9.708 -3.586 6.848 1.00 0.00 ? 15 LYS A CB 9 ATOM 11581 C CG . LYS A 1 15 ? -9.270 -3.588 8.303 1.00 0.00 ? 15 LYS A CG 9 ATOM 11582 C CD . LYS A 1 15 ? -10.013 -4.642 9.107 1.00 0.00 ? 15 LYS A CD 9 ATOM 11583 C CE . LYS A 1 15 ? -9.178 -5.901 9.282 1.00 0.00 ? 15 LYS A CE 9 ATOM 11584 N NZ . LYS A 1 15 ? -10.025 -7.125 9.331 1.00 0.00 ? 15 LYS A NZ 9 ATOM 11585 H H . LYS A 1 15 ? -11.321 -2.158 5.498 1.00 0.00 ? 15 LYS A H 9 ATOM 11586 H HA . LYS A 1 15 ? -8.854 -1.623 6.777 1.00 0.00 ? 15 LYS A HA 9 ATOM 11587 H HB2 . LYS A 1 15 ? -10.785 -3.673 6.819 1.00 0.00 ? 15 LYS A HB2 9 ATOM 11588 H HB3 . LYS A 1 15 ? -9.273 -4.446 6.363 1.00 0.00 ? 15 LYS A HB3 9 ATOM 11589 H HG2 . LYS A 1 15 ? -8.211 -3.795 8.350 1.00 0.00 ? 15 LYS A HG2 9 ATOM 11590 H HG3 . LYS A 1 15 ? -9.468 -2.616 8.730 1.00 0.00 ? 15 LYS A HG3 9 ATOM 11591 H HD2 . LYS A 1 15 ? -10.246 -4.240 10.082 1.00 0.00 ? 15 LYS A HD2 9 ATOM 11592 H HD3 . LYS A 1 15 ? -10.928 -4.896 8.593 1.00 0.00 ? 15 LYS A HD3 9 ATOM 11593 H HE2 . LYS A 1 15 ? -8.494 -5.982 8.449 1.00 0.00 ? 15 LYS A HE2 9 ATOM 11594 H HE3 . LYS A 1 15 ? -8.619 -5.823 10.202 1.00 0.00 ? 15 LYS A HE3 9 ATOM 11595 H HZ1 . LYS A 1 15 ? -10.873 -6.999 8.744 1.00 0.00 ? 15 LYS A HZ1 9 ATOM 11596 H HZ2 . LYS A 1 15 ? -9.489 -7.944 8.976 1.00 0.00 ? 15 LYS A HZ2 9 ATOM 11597 H HZ3 . LYS A 1 15 ? -10.319 -7.317 10.311 1.00 0.00 ? 15 LYS A HZ3 9 ATOM 11598 N N . GLU A 1 16 ? -8.719 -2.780 3.768 1.00 0.00 ? 16 GLU A N 9 ATOM 11599 C CA . GLU A 1 16 ? -7.839 -3.111 2.655 1.00 0.00 ? 16 GLU A CA 9 ATOM 11600 C C . GLU A 1 16 ? -6.957 -1.924 2.276 1.00 0.00 ? 16 GLU A C 9 ATOM 11601 O O . GLU A 1 16 ? -5.764 -2.089 2.023 1.00 0.00 ? 16 GLU A O 9 ATOM 11602 C CB . GLU A 1 16 ? -8.660 -3.558 1.445 1.00 0.00 ? 16 GLU A CB 9 ATOM 11603 C CG . GLU A 1 16 ? -9.370 -4.886 1.647 1.00 0.00 ? 16 GLU A CG 9 ATOM 11604 C CD . GLU A 1 16 ? -8.479 -6.074 1.345 1.00 0.00 ? 16 GLU A CD 9 ATOM 11605 O OE1 . GLU A 1 16 ? -7.324 -5.859 0.923 1.00 0.00 ? 16 GLU A OE1 9 ATOM 11606 O OE2 . GLU A 1 16 ? -8.937 -7.222 1.531 1.00 0.00 ? 16 GLU A OE2 9 ATOM 11607 H H . GLU A 1 16 ? -9.672 -2.634 3.591 1.00 0.00 ? 16 GLU A H 9 ATOM 11608 H HA . GLU A 1 16 ? -7.205 -3.927 2.967 1.00 0.00 ? 16 GLU A HA 9 ATOM 11609 H HB2 . GLU A 1 16 ? -9.405 -2.804 1.231 1.00 0.00 ? 16 GLU A HB2 9 ATOM 11610 H HB3 . GLU A 1 16 ? -8.003 -3.652 0.594 1.00 0.00 ? 16 GLU A HB3 9 ATOM 11611 H HG2 . GLU A 1 16 ? -9.696 -4.953 2.675 1.00 0.00 ? 16 GLU A HG2 9 ATOM 11612 H HG3 . GLU A 1 16 ? -10.230 -4.923 0.995 1.00 0.00 ? 16 GLU A HG3 9 ATOM 11613 N N . ILE A 1 17 ? -7.543 -0.729 2.234 1.00 0.00 ? 17 ILE A N 9 ATOM 11614 C CA . ILE A 1 17 ? -6.788 0.468 1.883 1.00 0.00 ? 17 ILE A CA 9 ATOM 11615 C C . ILE A 1 17 ? -5.830 0.849 3.012 1.00 0.00 ? 17 ILE A C 9 ATOM 11616 O O . ILE A 1 17 ? -4.701 1.276 2.764 1.00 0.00 ? 17 ILE A O 9 ATOM 11617 C CB . ILE A 1 17 ? -7.733 1.651 1.547 1.00 0.00 ? 17 ILE A CB 9 ATOM 11618 C CG1 . ILE A 1 17 ? -6.964 2.975 1.440 1.00 0.00 ? 17 ILE A CG1 9 ATOM 11619 C CG2 . ILE A 1 17 ? -8.841 1.764 2.582 1.00 0.00 ? 17 ILE A CG2 9 ATOM 11620 C CD1 . ILE A 1 17 ? -7.165 3.687 0.121 1.00 0.00 ? 17 ILE A CD1 9 ATOM 11621 H H . ILE A 1 17 ? -8.499 -0.649 2.445 1.00 0.00 ? 17 ILE A H 9 ATOM 11622 H HA . ILE A 1 17 ? -6.206 0.240 1.000 1.00 0.00 ? 17 ILE A HA 9 ATOM 11623 H HB . ILE A 1 17 ? -8.196 1.441 0.592 1.00 0.00 ? 17 ILE A HB 9 ATOM 11624 H HG12 . ILE A 1 17 ? -7.293 3.638 2.226 1.00 0.00 ? 17 ILE A HG12 9 ATOM 11625 H HG13 . ILE A 1 17 ? -5.909 2.783 1.558 1.00 0.00 ? 17 ILE A HG13 9 ATOM 11626 H HG21 . ILE A 1 17 ? -8.419 1.674 3.571 1.00 0.00 ? 17 ILE A HG21 9 ATOM 11627 H HG22 . ILE A 1 17 ? -9.328 2.723 2.484 1.00 0.00 ? 17 ILE A HG22 9 ATOM 11628 H HG23 . ILE A 1 17 ? -9.563 0.977 2.423 1.00 0.00 ? 17 ILE A HG23 9 ATOM 11629 H HD11 . ILE A 1 17 ? -7.532 2.985 -0.614 1.00 0.00 ? 17 ILE A HD11 9 ATOM 11630 H HD12 . ILE A 1 17 ? -7.883 4.484 0.248 1.00 0.00 ? 17 ILE A HD12 9 ATOM 11631 H HD13 . ILE A 1 17 ? -6.225 4.098 -0.212 1.00 0.00 ? 17 ILE A HD13 9 ATOM 11632 N N . GLU A 1 18 ? -6.280 0.682 4.250 1.00 0.00 ? 18 GLU A N 9 ATOM 11633 C CA . GLU A 1 18 ? -5.454 1.002 5.407 1.00 0.00 ? 18 GLU A CA 9 ATOM 11634 C C . GLU A 1 18 ? -4.335 -0.023 5.569 1.00 0.00 ? 18 GLU A C 9 ATOM 11635 O O . GLU A 1 18 ? -3.257 0.292 6.072 1.00 0.00 ? 18 GLU A O 9 ATOM 11636 C CB . GLU A 1 18 ? -6.309 1.045 6.676 1.00 0.00 ? 18 GLU A CB 9 ATOM 11637 C CG . GLU A 1 18 ? -6.738 2.448 7.072 1.00 0.00 ? 18 GLU A CG 9 ATOM 11638 C CD . GLU A 1 18 ? -6.934 2.596 8.568 1.00 0.00 ? 18 GLU A CD 9 ATOM 11639 O OE1 . GLU A 1 18 ? -6.848 1.576 9.282 1.00 0.00 ? 18 GLU A OE1 9 ATOM 11640 O OE2 . GLU A 1 18 ? -7.173 3.734 9.027 1.00 0.00 ? 18 GLU A OE2 9 ATOM 11641 H H . GLU A 1 18 ? -7.184 0.331 4.389 1.00 0.00 ? 18 GLU A H 9 ATOM 11642 H HA . GLU A 1 18 ? -5.016 1.975 5.244 1.00 0.00 ? 18 GLU A HA 9 ATOM 11643 H HB2 . GLU A 1 18 ? -7.198 0.452 6.517 1.00 0.00 ? 18 GLU A HB2 9 ATOM 11644 H HB3 . GLU A 1 18 ? -5.745 0.620 7.492 1.00 0.00 ? 18 GLU A HB3 9 ATOM 11645 H HG2 . GLU A 1 18 ? -5.978 3.147 6.755 1.00 0.00 ? 18 GLU A HG2 9 ATOM 11646 H HG3 . GLU A 1 18 ? -7.669 2.681 6.577 1.00 0.00 ? 18 GLU A HG3 9 ATOM 11647 N N . ARG A 1 19 ? -4.602 -1.251 5.135 1.00 0.00 ? 19 ARG A N 9 ATOM 11648 C CA . ARG A 1 19 ? -3.621 -2.325 5.229 1.00 0.00 ? 19 ARG A CA 9 ATOM 11649 C C . ARG A 1 19 ? -2.495 -2.131 4.218 1.00 0.00 ? 19 ARG A C 9 ATOM 11650 O O . ARG A 1 19 ? -1.324 -2.349 4.529 1.00 0.00 ? 19 ARG A O 9 ATOM 11651 C CB . ARG A 1 19 ? -4.296 -3.680 5.003 1.00 0.00 ? 19 ARG A CB 9 ATOM 11652 C CG . ARG A 1 19 ? -3.340 -4.858 5.098 1.00 0.00 ? 19 ARG A CG 9 ATOM 11653 C CD . ARG A 1 19 ? -4.061 -6.178 4.878 1.00 0.00 ? 19 ARG A CD 9 ATOM 11654 N NE . ARG A 1 19 ? -5.140 -6.380 5.840 1.00 0.00 ? 19 ARG A NE 9 ATOM 11655 C CZ . ARG A 1 19 ? -6.015 -7.379 5.766 1.00 0.00 ? 19 ARG A CZ 9 ATOM 11656 N NH1 . ARG A 1 19 ? -5.935 -8.261 4.779 1.00 0.00 ? 19 ARG A NH1 9 ATOM 11657 N NH2 . ARG A 1 19 ? -6.969 -7.495 6.679 1.00 0.00 ? 19 ARG A NH2 9 ATOM 11658 H H . ARG A 1 19 ? -5.481 -1.439 4.742 1.00 0.00 ? 19 ARG A H 9 ATOM 11659 H HA . ARG A 1 19 ? -3.202 -2.304 6.223 1.00 0.00 ? 19 ARG A HA 9 ATOM 11660 H HB2 . ARG A 1 19 ? -5.070 -3.811 5.743 1.00 0.00 ? 19 ARG A HB2 9 ATOM 11661 H HB3 . ARG A 1 19 ? -4.744 -3.686 4.020 1.00 0.00 ? 19 ARG A HB3 9 ATOM 11662 H HG2 . ARG A 1 19 ? -2.572 -4.749 4.348 1.00 0.00 ? 19 ARG A HG2 9 ATOM 11663 H HG3 . ARG A 1 19 ? -2.888 -4.864 6.080 1.00 0.00 ? 19 ARG A HG3 9 ATOM 11664 H HD2 . ARG A 1 19 ? -4.474 -6.185 3.881 1.00 0.00 ? 19 ARG A HD2 9 ATOM 11665 H HD3 . ARG A 1 19 ? -3.348 -6.983 4.976 1.00 0.00 ? 19 ARG A HD3 9 ATOM 11666 H HE . ARG A 1 19 ? -5.218 -5.738 6.577 1.00 0.00 ? 19 ARG A HE 9 ATOM 11667 H HH11 . ARG A 1 19 ? -5.217 -8.176 4.090 1.00 0.00 ? 19 ARG A HH11 9 ATOM 11668 H HH12 . ARG A 1 19 ? -6.594 -9.011 4.725 1.00 0.00 ? 19 ARG A HH12 9 ATOM 11669 H HH21 . ARG A 1 19 ? -7.032 -6.831 7.424 1.00 0.00 ? 19 ARG A HH21 9 ATOM 11670 H HH22 . ARG A 1 19 ? -7.627 -8.246 6.622 1.00 0.00 ? 19 ARG A HH22 9 ATOM 11671 N N . LEU A 1 20 ? -2.854 -1.718 3.005 1.00 0.00 ? 20 LEU A N 9 ATOM 11672 C CA . LEU A 1 20 ? -1.869 -1.495 1.958 1.00 0.00 ? 20 LEU A CA 9 ATOM 11673 C C . LEU A 1 20 ? -1.052 -0.243 2.249 1.00 0.00 ? 20 LEU A C 9 ATOM 11674 O O . LEU A 1 20 ? 0.092 -0.124 1.815 1.00 0.00 ? 20 LEU A O 9 ATOM 11675 C CB . LEU A 1 20 ? -2.556 -1.378 0.596 1.00 0.00 ? 20 LEU A CB 9 ATOM 11676 C CG . LEU A 1 20 ? -2.835 -2.708 -0.106 1.00 0.00 ? 20 LEU A CG 9 ATOM 11677 C CD1 . LEU A 1 20 ? -1.563 -3.534 -0.211 1.00 0.00 ? 20 LEU A CD1 9 ATOM 11678 C CD2 . LEU A 1 20 ? -3.917 -3.483 0.630 1.00 0.00 ? 20 LEU A CD2 9 ATOM 11679 H H . LEU A 1 20 ? -3.800 -1.555 2.812 1.00 0.00 ? 20 LEU A H 9 ATOM 11680 H HA . LEU A 1 20 ? -1.205 -2.347 1.945 1.00 0.00 ? 20 LEU A HA 9 ATOM 11681 H HB2 . LEU A 1 20 ? -3.495 -0.863 0.735 1.00 0.00 ? 20 LEU A HB2 9 ATOM 11682 H HB3 . LEU A 1 20 ? -1.929 -0.781 -0.048 1.00 0.00 ? 20 LEU A HB3 9 ATOM 11683 H HG . LEU A 1 20 ? -3.187 -2.510 -1.108 1.00 0.00 ? 20 LEU A HG 9 ATOM 11684 H HD11 . LEU A 1 20 ? -0.766 -2.920 -0.602 1.00 0.00 ? 20 LEU A HD11 9 ATOM 11685 H HD12 . LEU A 1 20 ? -1.289 -3.899 0.769 1.00 0.00 ? 20 LEU A HD12 9 ATOM 11686 H HD13 . LEU A 1 20 ? -1.731 -4.371 -0.872 1.00 0.00 ? 20 LEU A HD13 9 ATOM 11687 H HD21 . LEU A 1 20 ? -3.811 -3.329 1.693 1.00 0.00 ? 20 LEU A HD21 9 ATOM 11688 H HD22 . LEU A 1 20 ? -4.889 -3.136 0.311 1.00 0.00 ? 20 LEU A HD22 9 ATOM 11689 H HD23 . LEU A 1 20 ? -3.822 -4.536 0.407 1.00 0.00 ? 20 LEU A HD23 9 ATOM 11690 N N . GLN A 1 21 ? -1.644 0.687 2.996 1.00 0.00 ? 21 GLN A N 9 ATOM 11691 C CA . GLN A 1 21 ? -0.960 1.923 3.352 1.00 0.00 ? 21 GLN A CA 9 ATOM 11692 C C . GLN A 1 21 ? 0.085 1.661 4.431 1.00 0.00 ? 21 GLN A C 9 ATOM 11693 O O . GLN A 1 21 ? 1.150 2.280 4.445 1.00 0.00 ? 21 GLN A O 9 ATOM 11694 C CB . GLN A 1 21 ? -1.963 2.971 3.840 1.00 0.00 ? 21 GLN A CB 9 ATOM 11695 C CG . GLN A 1 21 ? -1.744 4.349 3.238 1.00 0.00 ? 21 GLN A CG 9 ATOM 11696 C CD . GLN A 1 21 ? -3.014 5.178 3.202 1.00 0.00 ? 21 GLN A CD 9 ATOM 11697 O OE1 . GLN A 1 21 ? -3.366 5.748 2.170 1.00 0.00 ? 21 GLN A OE1 9 ATOM 11698 N NE2 . GLN A 1 21 ? -3.706 5.248 4.332 1.00 0.00 ? 21 GLN A NE2 9 ATOM 11699 H H . GLN A 1 21 ? -2.557 0.533 3.318 1.00 0.00 ? 21 GLN A H 9 ATOM 11700 H HA . GLN A 1 21 ? -0.461 2.293 2.469 1.00 0.00 ? 21 GLN A HA 9 ATOM 11701 H HB2 . GLN A 1 21 ? -2.960 2.644 3.584 1.00 0.00 ? 21 GLN A HB2 9 ATOM 11702 H HB3 . GLN A 1 21 ? -1.885 3.054 4.913 1.00 0.00 ? 21 GLN A HB3 9 ATOM 11703 H HG2 . GLN A 1 21 ? -1.008 4.873 3.830 1.00 0.00 ? 21 GLN A HG2 9 ATOM 11704 H HG3 . GLN A 1 21 ? -1.377 4.234 2.230 1.00 0.00 ? 21 GLN A HG3 9 ATOM 11705 H HE21 . GLN A 1 21 ? -3.364 4.769 5.116 1.00 0.00 ? 21 GLN A HE21 9 ATOM 11706 H HE22 . GLN A 1 21 ? -4.531 5.777 4.338 1.00 0.00 ? 21 GLN A HE22 9 ATOM 11707 N N . LYS A 1 22 ? -0.222 0.732 5.328 1.00 0.00 ? 22 LYS A N 9 ATOM 11708 C CA . LYS A 1 22 ? 0.699 0.381 6.399 1.00 0.00 ? 22 LYS A CA 9 ATOM 11709 C C . LYS A 1 22 ? 1.874 -0.410 5.838 1.00 0.00 ? 22 LYS A C 9 ATOM 11710 O O . LYS A 1 22 ? 2.996 -0.324 6.340 1.00 0.00 ? 22 LYS A O 9 ATOM 11711 C CB . LYS A 1 22 ? -0.019 -0.436 7.475 1.00 0.00 ? 22 LYS A CB 9 ATOM 11712 C CG . LYS A 1 22 ? 0.089 0.164 8.867 1.00 0.00 ? 22 LYS A CG 9 ATOM 11713 C CD . LYS A 1 22 ? 1.393 -0.225 9.543 1.00 0.00 ? 22 LYS A CD 9 ATOM 11714 C CE . LYS A 1 22 ? 1.423 -1.705 9.886 1.00 0.00 ? 22 LYS A CE 9 ATOM 11715 N NZ . LYS A 1 22 ? 1.622 -1.934 11.344 1.00 0.00 ? 22 LYS A NZ 9 ATOM 11716 H H . LYS A 1 22 ? -1.082 0.267 5.263 1.00 0.00 ? 22 LYS A H 9 ATOM 11717 H HA . LYS A 1 22 ? 1.069 1.296 6.836 1.00 0.00 ? 22 LYS A HA 9 ATOM 11718 H HB2 . LYS A 1 22 ? -1.065 -0.509 7.217 1.00 0.00 ? 22 LYS A HB2 9 ATOM 11719 H HB3 . LYS A 1 22 ? 0.407 -1.429 7.500 1.00 0.00 ? 22 LYS A HB3 9 ATOM 11720 H HG2 . LYS A 1 22 ? 0.042 1.240 8.790 1.00 0.00 ? 22 LYS A HG2 9 ATOM 11721 H HG3 . LYS A 1 22 ? -0.737 -0.192 9.466 1.00 0.00 ? 22 LYS A HG3 9 ATOM 11722 H HD2 . LYS A 1 22 ? 2.213 -0.005 8.875 1.00 0.00 ? 22 LYS A HD2 9 ATOM 11723 H HD3 . LYS A 1 22 ? 1.503 0.349 10.451 1.00 0.00 ? 22 LYS A HD3 9 ATOM 11724 H HE2 . LYS A 1 22 ? 0.486 -2.151 9.586 1.00 0.00 ? 22 LYS A HE2 9 ATOM 11725 H HE3 . LYS A 1 22 ? 2.232 -2.172 9.344 1.00 0.00 ? 22 LYS A HE3 9 ATOM 11726 H HZ1 . LYS A 1 22 ? 1.404 -1.067 11.875 1.00 0.00 ? 22 LYS A HZ1 9 ATOM 11727 H HZ2 . LYS A 1 22 ? 0.994 -2.695 11.675 1.00 0.00 ? 22 LYS A HZ2 9 ATOM 11728 H HZ3 . LYS A 1 22 ? 2.608 -2.205 11.532 1.00 0.00 ? 22 LYS A HZ3 9 ATOM 11729 N N . GLU A 1 23 ? 1.605 -1.180 4.787 1.00 0.00 ? 23 GLU A N 9 ATOM 11730 C CA . GLU A 1 23 ? 2.635 -1.987 4.146 1.00 0.00 ? 23 GLU A CA 9 ATOM 11731 C C . GLU A 1 23 ? 3.635 -1.108 3.406 1.00 0.00 ? 23 GLU A C 9 ATOM 11732 O O . GLU A 1 23 ? 4.843 -1.258 3.577 1.00 0.00 ? 23 GLU A O 9 ATOM 11733 C CB . GLU A 1 23 ? 2.003 -2.991 3.181 1.00 0.00 ? 23 GLU A CB 9 ATOM 11734 C CG . GLU A 1 23 ? 0.988 -3.911 3.839 1.00 0.00 ? 23 GLU A CG 9 ATOM 11735 C CD . GLU A 1 23 ? 1.504 -5.328 3.998 1.00 0.00 ? 23 GLU A CD 9 ATOM 11736 O OE1 . GLU A 1 23 ? 2.699 -5.492 4.319 1.00 0.00 ? 23 GLU A OE1 9 ATOM 11737 O OE2 . GLU A 1 23 ? 0.711 -6.274 3.800 1.00 0.00 ? 23 GLU A OE2 9 ATOM 11738 H H . GLU A 1 23 ? 0.691 -1.202 4.432 1.00 0.00 ? 23 GLU A H 9 ATOM 11739 H HA . GLU A 1 23 ? 3.160 -2.526 4.920 1.00 0.00 ? 23 GLU A HA 9 ATOM 11740 H HB2 . GLU A 1 23 ? 1.505 -2.448 2.391 1.00 0.00 ? 23 GLU A HB2 9 ATOM 11741 H HB3 . GLU A 1 23 ? 2.783 -3.600 2.750 1.00 0.00 ? 23 GLU A HB3 9 ATOM 11742 H HG2 . GLU A 1 23 ? 0.748 -3.521 4.817 1.00 0.00 ? 23 GLU A HG2 9 ATOM 11743 H HG3 . GLU A 1 23 ? 0.095 -3.935 3.232 1.00 0.00 ? 23 GLU A HG3 9 ATOM 11744 N N . ILE A 1 24 ? 3.133 -0.184 2.590 1.00 0.00 ? 24 ILE A N 9 ATOM 11745 C CA . ILE A 1 24 ? 4.008 0.714 1.846 1.00 0.00 ? 24 ILE A CA 9 ATOM 11746 C C . ILE A 1 24 ? 4.770 1.618 2.814 1.00 0.00 ? 24 ILE A C 9 ATOM 11747 O O . ILE A 1 24 ? 5.869 2.077 2.510 1.00 0.00 ? 24 ILE A O 9 ATOM 11748 C CB . ILE A 1 24 ? 3.217 1.567 0.814 1.00 0.00 ? 24 ILE A CB 9 ATOM 11749 C CG1 . ILE A 1 24 ? 4.054 2.744 0.296 1.00 0.00 ? 24 ILE A CG1 9 ATOM 11750 C CG2 . ILE A 1 24 ? 1.917 2.066 1.414 1.00 0.00 ? 24 ILE A CG2 9 ATOM 11751 C CD1 . ILE A 1 24 ? 3.547 3.318 -1.008 1.00 0.00 ? 24 ILE A CD1 9 ATOM 11752 H H . ILE A 1 24 ? 2.161 -0.101 2.494 1.00 0.00 ? 24 ILE A H 9 ATOM 11753 H HA . ILE A 1 24 ? 4.721 0.107 1.307 1.00 0.00 ? 24 ILE A HA 9 ATOM 11754 H HB . ILE A 1 24 ? 2.968 0.930 -0.018 1.00 0.00 ? 24 ILE A HB 9 ATOM 11755 H HG12 . ILE A 1 24 ? 4.045 3.536 1.031 1.00 0.00 ? 24 ILE A HG12 9 ATOM 11756 H HG13 . ILE A 1 24 ? 5.071 2.414 0.143 1.00 0.00 ? 24 ILE A HG13 9 ATOM 11757 H HG21 . ILE A 1 24 ? 1.884 1.815 2.461 1.00 0.00 ? 24 ILE A HG21 9 ATOM 11758 H HG22 . ILE A 1 24 ? 1.854 3.137 1.298 1.00 0.00 ? 24 ILE A HG22 9 ATOM 11759 H HG23 . ILE A 1 24 ? 1.086 1.598 0.906 1.00 0.00 ? 24 ILE A HG23 9 ATOM 11760 H HD11 . ILE A 1 24 ? 3.264 2.512 -1.670 1.00 0.00 ? 24 ILE A HD11 9 ATOM 11761 H HD12 . ILE A 1 24 ? 2.687 3.944 -0.816 1.00 0.00 ? 24 ILE A HD12 9 ATOM 11762 H HD13 . ILE A 1 24 ? 4.325 3.908 -1.470 1.00 0.00 ? 24 ILE A HD13 9 ATOM 11763 N N . GLU A 1 25 ? 4.182 1.858 3.981 1.00 0.00 ? 25 GLU A N 9 ATOM 11764 C CA . GLU A 1 25 ? 4.813 2.696 4.991 1.00 0.00 ? 25 GLU A CA 9 ATOM 11765 C C . GLU A 1 25 ? 6.100 2.051 5.495 1.00 0.00 ? 25 GLU A C 9 ATOM 11766 O O . GLU A 1 25 ? 7.145 2.699 5.570 1.00 0.00 ? 25 GLU A O 9 ATOM 11767 C CB . GLU A 1 25 ? 3.855 2.933 6.160 1.00 0.00 ? 25 GLU A CB 9 ATOM 11768 C CG . GLU A 1 25 ? 4.432 3.824 7.248 1.00 0.00 ? 25 GLU A CG 9 ATOM 11769 C CD . GLU A 1 25 ? 3.438 4.105 8.359 1.00 0.00 ? 25 GLU A CD 9 ATOM 11770 O OE1 . GLU A 1 25 ? 2.473 3.327 8.503 1.00 0.00 ? 25 GLU A OE1 9 ATOM 11771 O OE2 . GLU A 1 25 ? 3.626 5.104 9.084 1.00 0.00 ? 25 GLU A OE2 9 ATOM 11772 H H . GLU A 1 25 ? 3.306 1.460 4.168 1.00 0.00 ? 25 GLU A H 9 ATOM 11773 H HA . GLU A 1 25 ? 5.053 3.645 4.535 1.00 0.00 ? 25 GLU A HA 9 ATOM 11774 H HB2 . GLU A 1 25 ? 2.956 3.399 5.784 1.00 0.00 ? 25 GLU A HB2 9 ATOM 11775 H HB3 . GLU A 1 25 ? 3.600 1.982 6.601 1.00 0.00 ? 25 GLU A HB3 9 ATOM 11776 H HG2 . GLU A 1 25 ? 5.296 3.335 7.674 1.00 0.00 ? 25 GLU A HG2 9 ATOM 11777 H HG3 . GLU A 1 25 ? 4.732 4.762 6.807 1.00 0.00 ? 25 GLU A HG3 9 ATOM 11778 N N . ARG A 1 26 ? 6.020 0.767 5.836 1.00 0.00 ? 26 ARG A N 9 ATOM 11779 C CA . ARG A 1 26 ? 7.183 0.037 6.329 1.00 0.00 ? 26 ARG A CA 9 ATOM 11780 C C . ARG A 1 26 ? 8.239 -0.103 5.236 1.00 0.00 ? 26 ARG A C 9 ATOM 11781 O O . ARG A 1 26 ? 9.438 0.007 5.497 1.00 0.00 ? 26 ARG A O 9 ATOM 11782 C CB . ARG A 1 26 ? 6.768 -1.345 6.835 1.00 0.00 ? 26 ARG A CB 9 ATOM 11783 C CG . ARG A 1 26 ? 7.941 -2.229 7.223 1.00 0.00 ? 26 ARG A CG 9 ATOM 11784 C CD . ARG A 1 26 ? 7.499 -3.661 7.481 1.00 0.00 ? 26 ARG A CD 9 ATOM 11785 N NE . ARG A 1 26 ? 7.749 -4.071 8.859 1.00 0.00 ? 26 ARG A NE 9 ATOM 11786 C CZ . ARG A 1 26 ? 7.127 -5.085 9.451 1.00 0.00 ? 26 ARG A CZ 9 ATOM 11787 N NH1 . ARG A 1 26 ? 6.221 -5.789 8.784 1.00 0.00 ? 26 ARG A NH1 9 ATOM 11788 N NH2 . ARG A 1 26 ? 7.409 -5.398 10.708 1.00 0.00 ? 26 ARG A NH2 9 ATOM 11789 H H . ARG A 1 26 ? 5.159 0.298 5.751 1.00 0.00 ? 26 ARG A H 9 ATOM 11790 H HA . ARG A 1 26 ? 7.603 0.599 7.149 1.00 0.00 ? 26 ARG A HA 9 ATOM 11791 H HB2 . ARG A 1 26 ? 6.134 -1.224 7.701 1.00 0.00 ? 26 ARG A HB2 9 ATOM 11792 H HB3 . ARG A 1 26 ? 6.209 -1.847 6.058 1.00 0.00 ? 26 ARG A HB3 9 ATOM 11793 H HG2 . ARG A 1 26 ? 8.663 -2.225 6.420 1.00 0.00 ? 26 ARG A HG2 9 ATOM 11794 H HG3 . ARG A 1 26 ? 8.395 -1.835 8.120 1.00 0.00 ? 26 ARG A HG3 9 ATOM 11795 H HD2 . ARG A 1 26 ? 6.442 -3.739 7.279 1.00 0.00 ? 26 ARG A HD2 9 ATOM 11796 H HD3 . ARG A 1 26 ? 8.041 -4.316 6.815 1.00 0.00 ? 26 ARG A HD3 9 ATOM 11797 H HE . ARG A 1 26 ? 8.415 -3.565 9.370 1.00 0.00 ? 26 ARG A HE 9 ATOM 11798 H HH11 . ARG A 1 26 ? 6.006 -5.556 7.835 1.00 0.00 ? 26 ARG A HH11 9 ATOM 11799 H HH12 . ARG A 1 26 ? 5.754 -6.552 9.230 1.00 0.00 ? 26 ARG A HH12 9 ATOM 11800 H HH21 . ARG A 1 26 ? 8.092 -4.870 11.212 1.00 0.00 ? 26 ARG A HH21 9 ATOM 11801 H HH22 . ARG A 1 26 ? 6.940 -6.162 11.151 1.00 0.00 ? 26 ARG A HH22 9 ATOM 11802 N N . HIS A 1 27 ? 7.783 -0.345 4.012 1.00 0.00 ? 27 HIS A N 9 ATOM 11803 C CA . HIS A 1 27 ? 8.683 -0.501 2.878 1.00 0.00 ? 27 HIS A CA 9 ATOM 11804 C C . HIS A 1 27 ? 9.292 0.839 2.473 1.00 0.00 ? 27 HIS A C 9 ATOM 11805 O O . HIS A 1 27 ? 10.323 0.880 1.804 1.00 0.00 ? 27 HIS A O 9 ATOM 11806 C CB . HIS A 1 27 ? 7.940 -1.116 1.691 1.00 0.00 ? 27 HIS A CB 9 ATOM 11807 C CG . HIS A 1 27 ? 8.084 -2.604 1.606 1.00 0.00 ? 27 HIS A CG 9 ATOM 11808 N ND1 . HIS A 1 27 ? 9.297 -3.233 1.414 1.00 0.00 ? 27 HIS A ND1 9 ATOM 11809 C CD2 . HIS A 1 27 ? 7.160 -3.592 1.690 1.00 0.00 ? 27 HIS A CD2 9 ATOM 11810 C CE1 . HIS A 1 27 ? 9.113 -4.542 1.383 1.00 0.00 ? 27 HIS A CE1 9 ATOM 11811 N NE2 . HIS A 1 27 ? 7.826 -4.784 1.549 1.00 0.00 ? 27 HIS A NE2 9 ATOM 11812 H H . HIS A 1 27 ? 6.819 -0.418 3.868 1.00 0.00 ? 27 HIS A H 9 ATOM 11813 H HA . HIS A 1 27 ? 9.478 -1.166 3.176 1.00 0.00 ? 27 HIS A HA 9 ATOM 11814 H HB2 . HIS A 1 27 ? 6.888 -0.890 1.776 1.00 0.00 ? 27 HIS A HB2 9 ATOM 11815 H HB3 . HIS A 1 27 ? 8.323 -0.691 0.775 1.00 0.00 ? 27 HIS A HB3 9 ATOM 11816 H HD1 . HIS A 1 27 ? 10.164 -2.787 1.314 1.00 0.00 ? 27 HIS A HD1 9 ATOM 11817 H HD2 . HIS A 1 27 ? 6.098 -3.463 1.840 1.00 0.00 ? 27 HIS A HD2 9 ATOM 11818 H HE1 . HIS A 1 27 ? 9.883 -5.286 1.247 1.00 0.00 ? 27 HIS A HE1 9 ATOM 11819 H HE2 . HIS A 1 27 ? 7.415 -5.673 1.568 1.00 0.00 ? 27 HIS A HE2 9 ATOM 11820 N N . LYS A 1 28 ? 8.654 1.933 2.885 1.00 0.00 ? 28 LYS A N 9 ATOM 11821 C CA . LYS A 1 28 ? 9.146 3.266 2.564 1.00 0.00 ? 28 LYS A CA 9 ATOM 11822 C C . LYS A 1 28 ? 10.293 3.649 3.488 1.00 0.00 ? 28 LYS A C 9 ATOM 11823 O O . LYS A 1 28 ? 11.247 4.304 3.073 1.00 0.00 ? 28 LYS A O 9 ATOM 11824 C CB . LYS A 1 28 ? 8.021 4.297 2.677 1.00 0.00 ? 28 LYS A CB 9 ATOM 11825 C CG . LYS A 1 28 ? 8.286 5.574 1.896 1.00 0.00 ? 28 LYS A CG 9 ATOM 11826 C CD . LYS A 1 28 ? 8.556 6.747 2.824 1.00 0.00 ? 28 LYS A CD 9 ATOM 11827 C CE . LYS A 1 28 ? 7.264 7.347 3.354 1.00 0.00 ? 28 LYS A CE 9 ATOM 11828 N NZ . LYS A 1 28 ? 7.272 8.834 3.287 1.00 0.00 ? 28 LYS A NZ 9 ATOM 11829 H H . LYS A 1 28 ? 7.839 1.841 3.419 1.00 0.00 ? 28 LYS A H 9 ATOM 11830 H HA . LYS A 1 28 ? 9.511 3.249 1.548 1.00 0.00 ? 28 LYS A HA 9 ATOM 11831 H HB2 . LYS A 1 28 ? 7.107 3.858 2.306 1.00 0.00 ? 28 LYS A HB2 9 ATOM 11832 H HB3 . LYS A 1 28 ? 7.890 4.557 3.716 1.00 0.00 ? 28 LYS A HB3 9 ATOM 11833 H HG2 . LYS A 1 28 ? 9.147 5.425 1.261 1.00 0.00 ? 28 LYS A HG2 9 ATOM 11834 H HG3 . LYS A 1 28 ? 7.422 5.799 1.288 1.00 0.00 ? 28 LYS A HG3 9 ATOM 11835 H HD2 . LYS A 1 28 ? 9.151 6.405 3.657 1.00 0.00 ? 28 LYS A HD2 9 ATOM 11836 H HD3 . LYS A 1 28 ? 9.098 7.507 2.280 1.00 0.00 ? 28 LYS A HD3 9 ATOM 11837 H HE2 . LYS A 1 28 ? 6.440 6.974 2.765 1.00 0.00 ? 28 LYS A HE2 9 ATOM 11838 H HE3 . LYS A 1 28 ? 7.136 7.042 4.383 1.00 0.00 ? 28 LYS A HE3 9 ATOM 11839 H HZ1 . LYS A 1 28 ? 8.077 9.162 2.715 1.00 0.00 ? 28 LYS A HZ1 9 ATOM 11840 H HZ2 . LYS A 1 28 ? 6.390 9.177 2.855 1.00 0.00 ? 28 LYS A HZ2 9 ATOM 11841 H HZ3 . LYS A 1 28 ? 7.355 9.235 4.243 1.00 0.00 ? 28 LYS A HZ3 9 ATOM 11842 N N . GLN A 1 29 ? 10.195 3.231 4.745 1.00 0.00 ? 29 GLN A N 9 ATOM 11843 C CA . GLN A 1 29 ? 11.230 3.524 5.727 1.00 0.00 ? 29 GLN A CA 9 ATOM 11844 C C . GLN A 1 29 ? 12.447 2.635 5.501 1.00 0.00 ? 29 GLN A C 9 ATOM 11845 O O . GLN A 1 29 ? 13.576 3.019 5.812 1.00 0.00 ? 29 GLN A O 9 ATOM 11846 C CB . GLN A 1 29 ? 10.692 3.326 7.144 1.00 0.00 ? 29 GLN A CB 9 ATOM 11847 C CG . GLN A 1 29 ? 11.593 3.904 8.223 1.00 0.00 ? 29 GLN A CG 9 ATOM 11848 C CD . GLN A 1 29 ? 11.548 3.106 9.512 1.00 0.00 ? 29 GLN A CD 9 ATOM 11849 O OE1 . GLN A 1 29 ? 10.504 2.572 9.887 1.00 0.00 ? 29 GLN A OE1 9 ATOM 11850 N NE2 . GLN A 1 29 ? 12.682 3.020 10.196 1.00 0.00 ? 29 GLN A NE2 9 ATOM 11851 H H . GLN A 1 29 ? 9.409 2.708 5.017 1.00 0.00 ? 29 GLN A H 9 ATOM 11852 H HA . GLN A 1 29 ? 11.524 4.556 5.601 1.00 0.00 ? 29 GLN A HA 9 ATOM 11853 H HB2 . GLN A 1 29 ? 9.725 3.802 7.221 1.00 0.00 ? 29 GLN A HB2 9 ATOM 11854 H HB3 . GLN A 1 29 ? 10.579 2.269 7.329 1.00 0.00 ? 29 GLN A HB3 9 ATOM 11855 H HG2 . GLN A 1 29 ? 12.609 3.913 7.860 1.00 0.00 ? 29 GLN A HG2 9 ATOM 11856 H HG3 . GLN A 1 29 ? 11.279 4.917 8.433 1.00 0.00 ? 29 GLN A HG3 9 ATOM 11857 H HE21 . GLN A 1 29 ? 13.474 3.472 9.835 1.00 0.00 ? 29 GLN A HE21 9 ATOM 11858 H HE22 . GLN A 1 29 ? 12.682 2.509 11.032 1.00 0.00 ? 29 GLN A HE22 9 ATOM 11859 N N . SER A 1 30 ? 12.210 1.447 4.954 1.00 0.00 ? 30 SER A N 9 ATOM 11860 C CA . SER A 1 30 ? 13.287 0.503 4.682 1.00 0.00 ? 30 SER A CA 9 ATOM 11861 C C . SER A 1 30 ? 14.050 0.898 3.419 1.00 0.00 ? 30 SER A C 9 ATOM 11862 O O . SER A 1 30 ? 15.278 0.827 3.378 1.00 0.00 ? 30 SER A O 9 ATOM 11863 C CB . SER A 1 30 ? 12.728 -0.913 4.533 1.00 0.00 ? 30 SER A CB 9 ATOM 11864 O OG . SER A 1 30 ? 13.744 -1.885 4.709 1.00 0.00 ? 30 SER A OG 9 ATOM 11865 H H . SER A 1 30 ? 11.288 1.199 4.727 1.00 0.00 ? 30 SER A H 9 ATOM 11866 H HA . SER A 1 30 ? 13.967 0.527 5.520 1.00 0.00 ? 30 SER A HA 9 ATOM 11867 H HB2 . SER A 1 30 ? 11.962 -1.074 5.276 1.00 0.00 ? 30 SER A HB2 9 ATOM 11868 H HB3 . SER A 1 30 ? 12.303 -1.027 3.546 1.00 0.00 ? 30 SER A HB3 9 ATOM 11869 H HG . SER A 1 30 ? 13.348 -2.721 4.963 1.00 0.00 ? 30 SER A HG 9 ATOM 11870 N N . ILE A 1 31 ? 13.314 1.313 2.393 1.00 0.00 ? 31 ILE A N 9 ATOM 11871 C CA . ILE A 1 31 ? 13.922 1.719 1.132 1.00 0.00 ? 31 ILE A CA 9 ATOM 11872 C C . ILE A 1 31 ? 14.557 3.100 1.251 1.00 0.00 ? 31 ILE A C 9 ATOM 11873 O O . ILE A 1 31 ? 15.512 3.421 0.542 1.00 0.00 ? 31 ILE A O 9 ATOM 11874 C CB . ILE A 1 31 ? 12.883 1.726 -0.006 1.00 0.00 ? 31 ILE A CB 9 ATOM 11875 C CG1 . ILE A 1 31 ? 13.515 2.170 -1.324 1.00 0.00 ? 31 ILE A CG1 9 ATOM 11876 C CG2 . ILE A 1 31 ? 11.713 2.632 0.348 1.00 0.00 ? 31 ILE A CG2 9 ATOM 11877 C CD1 . ILE A 1 31 ? 14.411 1.124 -1.948 1.00 0.00 ? 31 ILE A CD1 9 ATOM 11878 H H . ILE A 1 31 ? 12.338 1.349 2.484 1.00 0.00 ? 31 ILE A H 9 ATOM 11879 H HA . ILE A 1 31 ? 14.691 1.000 0.885 1.00 0.00 ? 31 ILE A HA 9 ATOM 11880 H HB . ILE A 1 31 ? 12.508 0.720 -0.117 1.00 0.00 ? 31 ILE A HB 9 ATOM 11881 H HG12 . ILE A 1 31 ? 12.728 2.392 -2.032 1.00 0.00 ? 31 ILE A HG12 9 ATOM 11882 H HG13 . ILE A 1 31 ? 14.104 3.058 -1.156 1.00 0.00 ? 31 ILE A HG13 9 ATOM 11883 H HG21 . ILE A 1 31 ? 11.723 2.838 1.408 1.00 0.00 ? 31 ILE A HG21 9 ATOM 11884 H HG22 . ILE A 1 31 ? 11.798 3.560 -0.198 1.00 0.00 ? 31 ILE A HG22 9 ATOM 11885 H HG23 . ILE A 1 31 ? 10.787 2.144 0.084 1.00 0.00 ? 31 ILE A HG23 9 ATOM 11886 H HD11 . ILE A 1 31 ? 15.110 0.763 -1.209 1.00 0.00 ? 31 ILE A HD11 9 ATOM 11887 H HD12 . ILE A 1 31 ? 13.808 0.304 -2.307 1.00 0.00 ? 31 ILE A HD12 9 ATOM 11888 H HD13 . ILE A 1 31 ? 14.953 1.561 -2.774 1.00 0.00 ? 31 ILE A HD13 9 ATOM 11889 N N . LYS A 1 32 ? 14.027 3.911 2.161 1.00 0.00 ? 32 LYS A N 9 ATOM 11890 C CA . LYS A 1 32 ? 14.546 5.253 2.382 1.00 0.00 ? 32 LYS A CA 9 ATOM 11891 C C . LYS A 1 32 ? 15.761 5.212 3.301 1.00 0.00 ? 32 LYS A C 9 ATOM 11892 O O . LYS A 1 32 ? 16.678 6.023 3.173 1.00 0.00 ? 32 LYS A O 9 ATOM 11893 C CB . LYS A 1 32 ? 13.464 6.153 2.982 1.00 0.00 ? 32 LYS A CB 9 ATOM 11894 C CG . LYS A 1 32 ? 13.968 7.532 3.373 1.00 0.00 ? 32 LYS A CG 9 ATOM 11895 C CD . LYS A 1 32 ? 13.223 8.629 2.630 1.00 0.00 ? 32 LYS A CD 9 ATOM 11896 C CE . LYS A 1 32 ? 13.434 8.527 1.129 1.00 0.00 ? 32 LYS A CE 9 ATOM 11897 N NZ . LYS A 1 32 ? 12.200 8.866 0.369 1.00 0.00 ? 32 LYS A NZ 9 ATOM 11898 H H . LYS A 1 32 ? 13.273 3.595 2.702 1.00 0.00 ? 32 LYS A H 9 ATOM 11899 H HA . LYS A 1 32 ? 14.848 5.653 1.425 1.00 0.00 ? 32 LYS A HA 9 ATOM 11900 H HB2 . LYS A 1 32 ? 12.672 6.274 2.258 1.00 0.00 ? 32 LYS A HB2 9 ATOM 11901 H HB3 . LYS A 1 32 ? 13.064 5.675 3.864 1.00 0.00 ? 32 LYS A HB3 9 ATOM 11902 H HG2 . LYS A 1 32 ? 13.824 7.670 4.435 1.00 0.00 ? 32 LYS A HG2 9 ATOM 11903 H HG3 . LYS A 1 32 ? 15.020 7.600 3.139 1.00 0.00 ? 32 LYS A HG3 9 ATOM 11904 H HD2 . LYS A 1 32 ? 12.168 8.542 2.842 1.00 0.00 ? 32 LYS A HD2 9 ATOM 11905 H HD3 . LYS A 1 32 ? 13.582 9.589 2.971 1.00 0.00 ? 32 LYS A HD3 9 ATOM 11906 H HE2 . LYS A 1 32 ? 14.221 9.209 0.842 1.00 0.00 ? 32 LYS A HE2 9 ATOM 11907 H HE3 . LYS A 1 32 ? 13.730 7.516 0.888 1.00 0.00 ? 32 LYS A HE3 9 ATOM 11908 H HZ1 . LYS A 1 32 ? 11.358 8.617 0.926 1.00 0.00 ? 32 LYS A HZ1 9 ATOM 11909 H HZ2 . LYS A 1 32 ? 12.175 9.885 0.162 1.00 0.00 ? 32 LYS A HZ2 9 ATOM 11910 H HZ3 . LYS A 1 32 ? 12.176 8.341 -0.528 1.00 0.00 ? 32 LYS A HZ3 9 ATOM 11911 N N . LYS A 1 33 ? 15.760 4.257 4.226 1.00 0.00 ? 33 LYS A N 9 ATOM 11912 C CA . LYS A 1 33 ? 16.866 4.102 5.162 1.00 0.00 ? 33 LYS A CA 9 ATOM 11913 C C . LYS A 1 33 ? 18.053 3.436 4.479 1.00 0.00 ? 33 LYS A C 9 ATOM 11914 O O . LYS A 1 33 ? 19.207 3.717 4.802 1.00 0.00 ? 33 LYS A O 9 ATOM 11915 C CB . LYS A 1 33 ? 16.426 3.278 6.374 1.00 0.00 ? 33 LYS A CB 9 ATOM 11916 C CG . LYS A 1 33 ? 17.565 2.931 7.319 1.00 0.00 ? 33 LYS A CG 9 ATOM 11917 C CD . LYS A 1 33 ? 17.144 1.884 8.336 1.00 0.00 ? 33 LYS A CD 9 ATOM 11918 C CE . LYS A 1 33 ? 18.248 1.613 9.346 1.00 0.00 ? 33 LYS A CE 9 ATOM 11919 N NZ . LYS A 1 33 ? 18.645 0.178 9.365 1.00 0.00 ? 33 LYS A NZ 9 ATOM 11920 H H . LYS A 1 33 ? 15.003 3.637 4.274 1.00 0.00 ? 33 LYS A H 9 ATOM 11921 H HA . LYS A 1 33 ? 17.160 5.087 5.493 1.00 0.00 ? 33 LYS A HA 9 ATOM 11922 H HB2 . LYS A 1 33 ? 15.686 3.837 6.926 1.00 0.00 ? 33 LYS A HB2 9 ATOM 11923 H HB3 . LYS A 1 33 ? 15.982 2.357 6.025 1.00 0.00 ? 33 LYS A HB3 9 ATOM 11924 H HG2 . LYS A 1 33 ? 18.393 2.546 6.743 1.00 0.00 ? 33 LYS A HG2 9 ATOM 11925 H HG3 . LYS A 1 33 ? 17.871 3.825 7.841 1.00 0.00 ? 33 LYS A HG3 9 ATOM 11926 H HD2 . LYS A 1 33 ? 16.269 2.237 8.861 1.00 0.00 ? 33 LYS A HD2 9 ATOM 11927 H HD3 . LYS A 1 33 ? 16.910 0.966 7.818 1.00 0.00 ? 33 LYS A HD3 9 ATOM 11928 H HE2 . LYS A 1 33 ? 19.109 2.211 9.088 1.00 0.00 ? 33 LYS A HE2 9 ATOM 11929 H HE3 . LYS A 1 33 ? 17.897 1.895 10.328 1.00 0.00 ? 33 LYS A HE3 9 ATOM 11930 H HZ1 . LYS A 1 33 ? 17.981 -0.383 8.794 1.00 0.00 ? 33 LYS A HZ1 9 ATOM 11931 H HZ2 . LYS A 1 33 ? 19.601 0.067 8.975 1.00 0.00 ? 33 LYS A HZ2 9 ATOM 11932 H HZ3 . LYS A 1 33 ? 18.636 -0.181 10.341 1.00 0.00 ? 33 LYS A HZ3 9 ATOM 11933 N N . LEU A 1 34 ? 17.759 2.556 3.526 1.00 0.00 ? 34 LEU A N 9 ATOM 11934 C CA . LEU A 1 34 ? 18.802 1.855 2.789 1.00 0.00 ? 34 LEU A CA 9 ATOM 11935 C C . LEU A 1 34 ? 19.471 2.791 1.791 1.00 0.00 ? 34 LEU A C 9 ATOM 11936 O O . LEU A 1 34 ? 20.690 2.764 1.619 1.00 0.00 ? 34 LEU A O 9 ATOM 11937 C CB . LEU A 1 34 ? 18.220 0.640 2.064 1.00 0.00 ? 34 LEU A CB 9 ATOM 11938 C CG . LEU A 1 34 ? 18.888 -0.694 2.399 1.00 0.00 ? 34 LEU A CG 9 ATOM 11939 C CD1 . LEU A 1 34 ? 18.010 -1.856 1.963 1.00 0.00 ? 34 LEU A CD1 9 ATOM 11940 C CD2 . LEU A 1 34 ? 20.258 -0.783 1.742 1.00 0.00 ? 34 LEU A CD2 9 ATOM 11941 H H . LEU A 1 34 ? 16.820 2.379 3.310 1.00 0.00 ? 34 LEU A H 9 ATOM 11942 H HA . LEU A 1 34 ? 19.541 1.519 3.502 1.00 0.00 ? 34 LEU A HA 9 ATOM 11943 H HB2 . LEU A 1 34 ? 17.171 0.567 2.314 1.00 0.00 ? 34 LEU A HB2 9 ATOM 11944 H HB3 . LEU A 1 34 ? 18.308 0.804 1.000 1.00 0.00 ? 34 LEU A HB3 9 ATOM 11945 H HG . LEU A 1 34 ? 19.025 -0.763 3.468 1.00 0.00 ? 34 LEU A HG 9 ATOM 11946 H HD11 . LEU A 1 34 ? 17.752 -1.741 0.920 1.00 0.00 ? 34 LEU A HD11 9 ATOM 11947 H HD12 . LEU A 1 34 ? 18.545 -2.783 2.102 1.00 0.00 ? 34 LEU A HD12 9 ATOM 11948 H HD13 . LEU A 1 34 ? 17.108 -1.867 2.557 1.00 0.00 ? 34 LEU A HD13 9 ATOM 11949 H HD21 . LEU A 1 34 ? 20.750 0.176 1.807 1.00 0.00 ? 34 LEU A HD21 9 ATOM 11950 H HD22 . LEU A 1 34 ? 20.852 -1.529 2.248 1.00 0.00 ? 34 LEU A HD22 9 ATOM 11951 H HD23 . LEU A 1 34 ? 20.142 -1.059 0.704 1.00 0.00 ? 34 LEU A HD23 9 ATOM 11952 N N . LYS A 1 35 ? 18.667 3.625 1.137 1.00 0.00 ? 35 LYS A N 9 ATOM 11953 C CA . LYS A 1 35 ? 19.187 4.573 0.161 1.00 0.00 ? 35 LYS A CA 9 ATOM 11954 C C . LYS A 1 35 ? 20.009 5.656 0.851 1.00 0.00 ? 35 LYS A C 9 ATOM 11955 O O . LYS A 1 35 ? 21.016 6.120 0.316 1.00 0.00 ? 35 LYS A O 9 ATOM 11956 C CB . LYS A 1 35 ? 18.041 5.207 -0.630 1.00 0.00 ? 35 LYS A CB 9 ATOM 11957 C CG . LYS A 1 35 ? 18.194 5.073 -2.136 1.00 0.00 ? 35 LYS A CG 9 ATOM 11958 C CD . LYS A 1 35 ? 18.358 6.429 -2.803 1.00 0.00 ? 35 LYS A CD 9 ATOM 11959 C CE . LYS A 1 35 ? 17.062 7.224 -2.779 1.00 0.00 ? 35 LYS A CE 9 ATOM 11960 N NZ . LYS A 1 35 ? 17.231 8.545 -2.112 1.00 0.00 ? 35 LYS A NZ 9 ATOM 11961 H H . LYS A 1 35 ? 17.702 3.603 1.318 1.00 0.00 ? 35 LYS A H 9 ATOM 11962 H HA . LYS A 1 35 ? 19.827 4.031 -0.520 1.00 0.00 ? 35 LYS A HA 9 ATOM 11963 H HB2 . LYS A 1 35 ? 17.114 4.736 -0.340 1.00 0.00 ? 35 LYS A HB2 9 ATOM 11964 H HB3 . LYS A 1 35 ? 17.991 6.259 -0.388 1.00 0.00 ? 35 LYS A HB3 9 ATOM 11965 H HG2 . LYS A 1 35 ? 19.065 4.472 -2.348 1.00 0.00 ? 35 LYS A HG2 9 ATOM 11966 H HG3 . LYS A 1 35 ? 17.315 4.590 -2.536 1.00 0.00 ? 35 LYS A HG3 9 ATOM 11967 H HD2 . LYS A 1 35 ? 19.120 6.987 -2.279 1.00 0.00 ? 35 LYS A HD2 9 ATOM 11968 H HD3 . LYS A 1 35 ? 18.659 6.281 -3.829 1.00 0.00 ? 35 LYS A HD3 9 ATOM 11969 H HE2 . LYS A 1 35 ? 16.733 7.382 -3.794 1.00 0.00 ? 35 LYS A HE2 9 ATOM 11970 H HE3 . LYS A 1 35 ? 16.316 6.652 -2.244 1.00 0.00 ? 35 LYS A HE3 9 ATOM 11971 H HZ1 . LYS A 1 35 ? 18.082 8.537 -1.515 1.00 0.00 ? 35 LYS A HZ1 9 ATOM 11972 H HZ2 . LYS A 1 35 ? 17.329 9.294 -2.826 1.00 0.00 ? 35 LYS A HZ2 9 ATOM 11973 H HZ3 . LYS A 1 35 ? 16.405 8.753 -1.516 1.00 0.00 ? 35 LYS A HZ3 9 ATOM 11974 N N . GLN A 1 36 ? 19.576 6.049 2.044 1.00 0.00 ? 36 GLN A N 9 ATOM 11975 C CA . GLN A 1 36 ? 20.277 7.071 2.809 1.00 0.00 ? 36 GLN A CA 9 ATOM 11976 C C . GLN A 1 36 ? 21.576 6.512 3.379 1.00 0.00 ? 36 GLN A C 9 ATOM 11977 O O . GLN A 1 36 ? 22.542 7.245 3.588 1.00 0.00 ? 36 GLN A O 9 ATOM 11978 C CB . GLN A 1 36 ? 19.390 7.593 3.941 1.00 0.00 ? 36 GLN A CB 9 ATOM 11979 C CG . GLN A 1 36 ? 20.108 8.543 4.887 1.00 0.00 ? 36 GLN A CG 9 ATOM 11980 C CD . GLN A 1 36 ? 20.083 8.061 6.325 1.00 0.00 ? 36 GLN A CD 9 ATOM 11981 O OE1 . GLN A 1 36 ? 19.431 8.660 7.181 1.00 0.00 ? 36 GLN A OE1 9 ATOM 11982 N NE2 . GLN A 1 36 ? 20.795 6.973 6.598 1.00 0.00 ? 36 GLN A NE2 9 ATOM 11983 H H . GLN A 1 36 ? 18.769 5.638 2.421 1.00 0.00 ? 36 GLN A H 9 ATOM 11984 H HA . GLN A 1 36 ? 20.513 7.885 2.141 1.00 0.00 ? 36 GLN A HA 9 ATOM 11985 H HB2 . GLN A 1 36 ? 18.548 8.115 3.512 1.00 0.00 ? 36 GLN A HB2 9 ATOM 11986 H HB3 . GLN A 1 36 ? 19.027 6.754 4.516 1.00 0.00 ? 36 GLN A HB3 9 ATOM 11987 H HG2 . GLN A 1 36 ? 21.136 8.634 4.573 1.00 0.00 ? 36 GLN A HG2 9 ATOM 11988 H HG3 . GLN A 1 36 ? 19.628 9.509 4.839 1.00 0.00 ? 36 GLN A HG3 9 ATOM 11989 H HE21 . GLN A 1 36 ? 21.289 6.549 5.866 1.00 0.00 ? 36 GLN A HE21 9 ATOM 11990 H HE22 . GLN A 1 36 ? 20.796 6.640 7.520 1.00 0.00 ? 36 GLN A HE22 9 ATOM 11991 N N . SER A 1 37 ? 21.591 5.205 3.621 1.00 0.00 ? 37 SER A N 9 ATOM 11992 C CA . SER A 1 37 ? 22.771 4.542 4.160 1.00 0.00 ? 37 SER A CA 9 ATOM 11993 C C . SER A 1 37 ? 23.899 4.545 3.137 1.00 0.00 ? 37 SER A C 9 ATOM 11994 O O . SER A 1 37 ? 25.077 4.559 3.495 1.00 0.00 ? 37 SER A O 9 ATOM 11995 C CB . SER A 1 37 ? 22.435 3.105 4.565 1.00 0.00 ? 37 SER A CB 9 ATOM 11996 O OG . SER A 1 37 ? 22.014 3.041 5.916 1.00 0.00 ? 37 SER A OG 9 ATOM 11997 H H . SER A 1 37 ? 20.789 4.674 3.429 1.00 0.00 ? 37 SER A H 9 ATOM 11998 H HA . SER A 1 37 ? 23.089 5.090 5.034 1.00 0.00 ? 37 SER A HA 9 ATOM 11999 H HB2 . SER A 1 37 ? 21.641 2.732 3.936 1.00 0.00 ? 37 SER A HB2 9 ATOM 12000 H HB3 . SER A 1 37 ? 23.312 2.486 4.444 1.00 0.00 ? 37 SER A HB3 9 ATOM 12001 H HG . SER A 1 37 ? 22.508 2.358 6.375 1.00 0.00 ? 37 SER A HG 9 ATOM 12002 N N . GLU A 1 38 ? 23.532 4.536 1.858 1.00 0.00 ? 38 GLU A N 9 ATOM 12003 C CA . GLU A 1 38 ? 24.514 4.541 0.782 1.00 0.00 ? 38 GLU A CA 9 ATOM 12004 C C . GLU A 1 38 ? 25.364 5.808 0.833 1.00 0.00 ? 38 GLU A C 9 ATOM 12005 O O . GLU A 1 38 ? 26.538 5.795 0.465 1.00 0.00 ? 38 GLU A O 9 ATOM 12006 C CB . GLU A 1 38 ? 23.817 4.435 -0.576 1.00 0.00 ? 38 GLU A CB 9 ATOM 12007 C CG . GLU A 1 38 ? 24.695 3.843 -1.667 1.00 0.00 ? 38 GLU A CG 9 ATOM 12008 C CD . GLU A 1 38 ? 25.971 4.635 -1.881 1.00 0.00 ? 38 GLU A CD 9 ATOM 12009 O OE1 . GLU A 1 38 ? 25.878 5.859 -2.106 1.00 0.00 ? 38 GLU A OE1 9 ATOM 12010 O OE2 . GLU A 1 38 ? 27.061 4.028 -1.825 1.00 0.00 ? 38 GLU A OE2 9 ATOM 12011 H H . GLU A 1 38 ? 22.577 4.528 1.634 1.00 0.00 ? 38 GLU A H 9 ATOM 12012 H HA . GLU A 1 38 ? 25.158 3.684 0.915 1.00 0.00 ? 38 GLU A HA 9 ATOM 12013 H HB2 . GLU A 1 38 ? 22.942 3.812 -0.470 1.00 0.00 ? 38 GLU A HB2 9 ATOM 12014 H HB3 . GLU A 1 38 ? 23.509 5.423 -0.888 1.00 0.00 ? 38 GLU A HB3 9 ATOM 12015 H HG2 . GLU A 1 38 ? 24.959 2.833 -1.390 1.00 0.00 ? 38 GLU A HG2 9 ATOM 12016 H HG3 . GLU A 1 38 ? 24.137 3.828 -2.591 1.00 0.00 ? 38 GLU A HG3 9 ATOM 12017 N N . ASP A 1 39 ? 24.761 6.899 1.294 1.00 0.00 ? 39 ASP A N 9 ATOM 12018 C CA . ASP A 1 39 ? 25.462 8.174 1.397 1.00 0.00 ? 39 ASP A CA 9 ATOM 12019 C C . ASP A 1 39 ? 26.478 8.147 2.535 1.00 0.00 ? 39 ASP A C 9 ATOM 12020 O O . ASP A 1 39 ? 27.459 8.891 2.522 1.00 0.00 ? 39 ASP A O 9 ATOM 12021 C CB . ASP A 1 39 ? 24.464 9.313 1.616 1.00 0.00 ? 39 ASP A CB 9 ATOM 12022 C CG . ASP A 1 39 ? 24.551 10.373 0.535 1.00 0.00 ? 39 ASP A CG 9 ATOM 12023 O OD1 . ASP A 1 39 ? 23.956 10.171 -0.544 1.00 0.00 ? 39 ASP A OD1 9 ATOM 12024 O OD2 . ASP A 1 39 ? 25.214 11.406 0.769 1.00 0.00 ? 39 ASP A OD2 9 ATOM 12025 H H . ASP A 1 39 ? 23.823 6.845 1.574 1.00 0.00 ? 39 ASP A H 9 ATOM 12026 H HA . ASP A 1 39 ? 25.986 8.339 0.467 1.00 0.00 ? 39 ASP A HA 9 ATOM 12027 H HB2 . ASP A 1 39 ? 23.462 8.910 1.618 1.00 0.00 ? 39 ASP A HB2 9 ATOM 12028 H HB3 . ASP A 1 39 ? 24.663 9.778 2.569 1.00 0.00 ? 39 ASP A HB3 9 ATOM 12029 N N . ASP A 1 40 ? 26.237 7.285 3.517 1.00 0.00 ? 40 ASP A N 9 ATOM 12030 C CA . ASP A 1 40 ? 27.131 7.161 4.664 1.00 0.00 ? 40 ASP A CA 9 ATOM 12031 C C . ASP A 1 40 ? 27.035 8.387 5.565 1.00 0.00 ? 40 ASP A C 9 ATOM 12032 O O . ASP A 1 40 ? 27.484 9.474 5.201 1.00 0.00 ? 40 ASP A O 9 ATOM 12033 C CB . ASP A 1 40 ? 28.574 6.969 4.195 1.00 0.00 ? 40 ASP A CB 9 ATOM 12034 C CG . ASP A 1 40 ? 29.246 5.782 4.858 1.00 0.00 ? 40 ASP A CG 9 ATOM 12035 O OD1 . ASP A 1 40 ? 29.031 5.581 6.072 1.00 0.00 ? 40 ASP A OD1 9 ATOM 12036 O OD2 . ASP A 1 40 ? 29.985 5.055 4.163 1.00 0.00 ? 40 ASP A OD2 9 ATOM 12037 H H . ASP A 1 40 ? 25.438 6.719 3.471 1.00 0.00 ? 40 ASP A H 9 ATOM 12038 H HA . ASP A 1 40 ? 26.827 6.291 5.227 1.00 0.00 ? 40 ASP A HA 9 ATOM 12039 H HB2 . ASP A 1 40 ? 28.582 6.813 3.127 1.00 0.00 ? 40 ASP A HB2 9 ATOM 12040 H HB3 . ASP A 1 40 ? 29.143 7.858 4.429 1.00 0.00 ? 40 ASP A HB3 9 ATOM 12041 N N . ASP A 1 41 ? 26.446 8.205 6.742 1.00 0.00 ? 41 ASP A N 9 ATOM 12042 C CA . ASP A 1 41 ? 26.290 9.296 7.697 1.00 0.00 ? 41 ASP A CA 9 ATOM 12043 C C . ASP A 1 41 ? 25.671 10.520 7.029 1.00 0.00 ? 41 ASP A C 9 ATOM 12044 O O . ASP A 1 41 ? 25.118 10.371 5.919 1.00 0.00 ? 41 ASP A O 9 ATOM 12045 C CB . ASP A 1 41 ? 27.644 9.665 8.307 1.00 0.00 ? 41 ASP A CB 9 ATOM 12046 C CG . ASP A 1 41 ? 27.537 10.025 9.776 1.00 0.00 ? 41 ASP A CG 9 ATOM 12047 O OD1 . ASP A 1 41 ? 27.301 9.114 10.596 1.00 0.00 ? 41 ASP A OD1 9 ATOM 12048 O OD2 . ASP A 1 41 ? 27.688 11.221 10.106 1.00 0.00 ? 41 ASP A OD2 9 ATOM 12049 O OXT . ASP A 1 41 ? 25.743 11.616 7.622 1.00 0.00 ? 41 ASP A OXT 9 ATOM 12050 H H . ASP A 1 41 ? 26.108 7.315 6.976 1.00 0.00 ? 41 ASP A H 9 ATOM 12051 H HA . ASP A 1 41 ? 25.632 8.958 8.483 1.00 0.00 ? 41 ASP A HA 9 ATOM 12052 H HB2 . ASP A 1 41 ? 28.316 8.825 8.211 1.00 0.00 ? 41 ASP A HB2 9 ATOM 12053 H HB3 . ASP A 1 41 ? 28.053 10.512 7.775 1.00 0.00 ? 41 ASP A HB3 9 ATOM 12054 N N . ALA B 1 1 ? 31.674 -4.567 -9.305 1.00 0.00 ? 1 ALA B N 9 ATOM 12055 C CA . ALA B 1 1 ? 30.830 -3.532 -8.652 1.00 0.00 ? 1 ALA B CA 9 ATOM 12056 C C . ALA B 1 1 ? 30.990 -3.573 -7.136 1.00 0.00 ? 1 ALA B C 9 ATOM 12057 O O . ALA B 1 1 ? 31.100 -4.645 -6.542 1.00 0.00 ? 1 ALA B O 9 ATOM 12058 C CB . ALA B 1 1 ? 29.371 -3.725 -9.033 1.00 0.00 ? 1 ALA B CB 9 ATOM 12059 H H1 . ALA B 1 1 ? 31.412 -5.490 -8.905 1.00 0.00 ? 1 ALA B H1 9 ATOM 12060 H H2 . ALA B 1 1 ? 31.483 -4.531 -10.327 1.00 0.00 ? 1 ALA B H2 9 ATOM 12061 H H3 . ALA B 1 1 ? 32.668 -4.341 -9.101 1.00 0.00 ? 1 ALA B H3 9 ATOM 12062 H HA . ALA B 1 1 ? 31.145 -2.563 -9.009 1.00 0.00 ? 1 ALA B HA 9 ATOM 12063 H HB1 . ALA B 1 1 ? 29.231 -4.720 -9.430 1.00 0.00 ? 1 ALA B HB1 9 ATOM 12064 H HB2 . ALA B 1 1 ? 29.096 -2.997 -9.782 1.00 0.00 ? 1 ALA B HB2 9 ATOM 12065 H HB3 . ALA B 1 1 ? 28.750 -3.596 -8.159 1.00 0.00 ? 1 ALA B HB3 9 ATOM 12066 N N . LEU B 1 2 ? 31.003 -2.398 -6.515 1.00 0.00 ? 2 LEU B N 9 ATOM 12067 C CA . LEU B 1 2 ? 31.149 -2.299 -5.068 1.00 0.00 ? 2 LEU B CA 9 ATOM 12068 C C . LEU B 1 2 ? 29.791 -2.137 -4.393 1.00 0.00 ? 2 LEU B C 9 ATOM 12069 O O . LEU B 1 2 ? 28.924 -1.415 -4.887 1.00 0.00 ? 2 LEU B O 9 ATOM 12070 C CB . LEU B 1 2 ? 32.055 -1.122 -4.705 1.00 0.00 ? 2 LEU B CB 9 ATOM 12071 C CG . LEU B 1 2 ? 33.086 -1.411 -3.611 1.00 0.00 ? 2 LEU B CG 9 ATOM 12072 C CD1 . LEU B 1 2 ? 34.131 -2.397 -4.111 1.00 0.00 ? 2 LEU B CD1 9 ATOM 12073 C CD2 . LEU B 1 2 ? 33.746 -0.121 -3.148 1.00 0.00 ? 2 LEU B CD2 9 ATOM 12074 H H . LEU B 1 2 ? 30.911 -1.578 -7.043 1.00 0.00 ? 2 LEU B H 9 ATOM 12075 H HA . LEU B 1 2 ? 31.604 -3.214 -4.718 1.00 0.00 ? 2 LEU B HA 9 ATOM 12076 H HB2 . LEU B 1 2 ? 32.584 -0.813 -5.596 1.00 0.00 ? 2 LEU B HB2 9 ATOM 12077 H HB3 . LEU B 1 2 ? 31.433 -0.304 -4.374 1.00 0.00 ? 2 LEU B HB3 9 ATOM 12078 H HG . LEU B 1 2 ? 32.586 -1.855 -2.763 1.00 0.00 ? 2 LEU B HG 9 ATOM 12079 H HD11 . LEU B 1 2 ? 34.018 -2.532 -5.177 1.00 0.00 ? 2 LEU B HD11 9 ATOM 12080 H HD12 . LEU B 1 2 ? 35.118 -2.014 -3.898 1.00 0.00 ? 2 LEU B HD12 9 ATOM 12081 H HD13 . LEU B 1 2 ? 33.998 -3.345 -3.612 1.00 0.00 ? 2 LEU B HD13 9 ATOM 12082 H HD21 . LEU B 1 2 ? 33.036 0.691 -3.214 1.00 0.00 ? 2 LEU B HD21 9 ATOM 12083 H HD22 . LEU B 1 2 ? 34.072 -0.231 -2.125 1.00 0.00 ? 2 LEU B HD22 9 ATOM 12084 H HD23 . LEU B 1 2 ? 34.598 0.093 -3.777 1.00 0.00 ? 2 LEU B HD23 9 ATOM 12085 N N . LYS B 1 3 ? 29.612 -2.812 -3.263 1.00 0.00 ? 3 LYS B N 9 ATOM 12086 C CA . LYS B 1 3 ? 28.360 -2.743 -2.521 1.00 0.00 ? 3 LYS B CA 9 ATOM 12087 C C . LYS B 1 3 ? 27.177 -3.102 -3.414 1.00 0.00 ? 3 LYS B C 9 ATOM 12088 O O . LYS B 1 3 ? 26.074 -2.581 -3.241 1.00 0.00 ? 3 LYS B O 9 ATOM 12089 C CB . LYS B 1 3 ? 28.165 -1.343 -1.937 1.00 0.00 ? 3 LYS B CB 9 ATOM 12090 C CG . LYS B 1 3 ? 29.040 -1.061 -0.726 1.00 0.00 ? 3 LYS B CG 9 ATOM 12091 C CD . LYS B 1 3 ? 30.278 -0.267 -1.104 1.00 0.00 ? 3 LYS B CD 9 ATOM 12092 C CE . LYS B 1 3 ? 30.860 0.463 0.095 1.00 0.00 ? 3 LYS B CE 9 ATOM 12093 N NZ . LYS B 1 3 ? 31.786 1.554 -0.315 1.00 0.00 ? 3 LYS B NZ 9 ATOM 12094 H H . LYS B 1 3 ? 30.340 -3.372 -2.920 1.00 0.00 ? 3 LYS B H 9 ATOM 12095 H HA . LYS B 1 3 ? 28.414 -3.456 -1.712 1.00 0.00 ? 3 LYS B HA 9 ATOM 12096 H HB2 . LYS B 1 3 ? 28.398 -0.612 -2.698 1.00 0.00 ? 3 LYS B HB2 9 ATOM 12097 H HB3 . LYS B 1 3 ? 27.132 -1.227 -1.643 1.00 0.00 ? 3 LYS B HB3 9 ATOM 12098 H HG2 . LYS B 1 3 ? 28.468 -0.496 -0.004 1.00 0.00 ? 3 LYS B HG2 9 ATOM 12099 H HG3 . LYS B 1 3 ? 29.345 -2.001 -0.289 1.00 0.00 ? 3 LYS B HG3 9 ATOM 12100 H HD2 . LYS B 1 3 ? 31.022 -0.943 -1.497 1.00 0.00 ? 3 LYS B HD2 9 ATOM 12101 H HD3 . LYS B 1 3 ? 30.012 0.457 -1.861 1.00 0.00 ? 3 LYS B HD3 9 ATOM 12102 H HE2 . LYS B 1 3 ? 30.050 0.888 0.670 1.00 0.00 ? 3 LYS B HE2 9 ATOM 12103 H HE3 . LYS B 1 3 ? 31.400 -0.247 0.705 1.00 0.00 ? 3 LYS B HE3 9 ATOM 12104 H HZ1 . LYS B 1 3 ? 31.387 2.080 -1.118 1.00 0.00 ? 3 LYS B HZ1 9 ATOM 12105 H HZ2 . LYS B 1 3 ? 31.936 2.213 0.477 1.00 0.00 ? 3 LYS B HZ2 9 ATOM 12106 H HZ3 . LYS B 1 3 ? 32.705 1.157 -0.597 1.00 0.00 ? 3 LYS B HZ3 9 ATOM 12107 N N . LYS B 1 4 ? 27.413 -3.995 -4.370 1.00 0.00 ? 4 LYS B N 9 ATOM 12108 C CA . LYS B 1 4 ? 26.367 -4.424 -5.291 1.00 0.00 ? 4 LYS B CA 9 ATOM 12109 C C . LYS B 1 4 ? 25.220 -5.090 -4.538 1.00 0.00 ? 4 LYS B C 9 ATOM 12110 O O . LYS B 1 4 ? 24.052 -4.921 -4.891 1.00 0.00 ? 4 LYS B O 9 ATOM 12111 C CB . LYS B 1 4 ? 26.939 -5.388 -6.332 1.00 0.00 ? 4 LYS B CB 9 ATOM 12112 C CG . LYS B 1 4 ? 26.549 -5.043 -7.760 1.00 0.00 ? 4 LYS B CG 9 ATOM 12113 C CD . LYS B 1 4 ? 25.523 -6.021 -8.308 1.00 0.00 ? 4 LYS B CD 9 ATOM 12114 C CE . LYS B 1 4 ? 24.915 -5.520 -9.608 1.00 0.00 ? 4 LYS B CE 9 ATOM 12115 N NZ . LYS B 1 4 ? 23.433 -5.656 -9.619 1.00 0.00 ? 4 LYS B NZ 9 ATOM 12116 H H . LYS B 1 4 ? 28.312 -4.374 -4.458 1.00 0.00 ? 4 LYS B H 9 ATOM 12117 H HA . LYS B 1 4 ? 25.990 -3.546 -5.796 1.00 0.00 ? 4 LYS B HA 9 ATOM 12118 H HB2 . LYS B 1 4 ? 28.016 -5.377 -6.262 1.00 0.00 ? 4 LYS B HB2 9 ATOM 12119 H HB3 . LYS B 1 4 ? 26.583 -6.385 -6.115 1.00 0.00 ? 4 LYS B HB3 9 ATOM 12120 H HG2 . LYS B 1 4 ? 26.130 -4.049 -7.778 1.00 0.00 ? 4 LYS B HG2 9 ATOM 12121 H HG3 . LYS B 1 4 ? 27.432 -5.075 -8.381 1.00 0.00 ? 4 LYS B HG3 9 ATOM 12122 H HD2 . LYS B 1 4 ? 26.005 -6.969 -8.491 1.00 0.00 ? 4 LYS B HD2 9 ATOM 12123 H HD3 . LYS B 1 4 ? 24.736 -6.149 -7.580 1.00 0.00 ? 4 LYS B HD3 9 ATOM 12124 H HE2 . LYS B 1 4 ? 25.173 -4.478 -9.733 1.00 0.00 ? 4 LYS B HE2 9 ATOM 12125 H HE3 . LYS B 1 4 ? 25.327 -6.092 -10.428 1.00 0.00 ? 4 LYS B HE3 9 ATOM 12126 H HZ1 . LYS B 1 4 ? 23.163 -6.645 -9.448 1.00 0.00 ? 4 LYS B HZ1 9 ATOM 12127 H HZ2 . LYS B 1 4 ? 23.014 -5.061 -8.874 1.00 0.00 ? 4 LYS B HZ2 9 ATOM 12128 H HZ3 . LYS B 1 4 ? 23.053 -5.358 -10.540 1.00 0.00 ? 4 LYS B HZ3 9 ATOM 12129 N N . HIS B 1 5 ? 25.560 -5.849 -3.503 1.00 0.00 ? 5 HIS B N 9 ATOM 12130 C CA . HIS B 1 5 ? 24.558 -6.542 -2.700 1.00 0.00 ? 5 HIS B CA 9 ATOM 12131 C C . HIS B 1 5 ? 23.533 -5.558 -2.145 1.00 0.00 ? 5 HIS B C 9 ATOM 12132 O O . HIS B 1 5 ? 22.328 -5.791 -2.222 1.00 0.00 ? 5 HIS B O 9 ATOM 12133 C CB . HIS B 1 5 ? 25.227 -7.301 -1.554 1.00 0.00 ? 5 HIS B CB 9 ATOM 12134 C CG . HIS B 1 5 ? 26.354 -6.551 -0.916 1.00 0.00 ? 5 HIS B CG 9 ATOM 12135 N ND1 . HIS B 1 5 ? 27.678 -6.756 -1.247 1.00 0.00 ? 5 HIS B ND1 9 ATOM 12136 C CD2 . HIS B 1 5 ? 26.352 -5.590 0.039 1.00 0.00 ? 5 HIS B CD2 9 ATOM 12137 C CE1 . HIS B 1 5 ? 28.440 -5.954 -0.523 1.00 0.00 ? 5 HIS B CE1 9 ATOM 12138 N NE2 . HIS B 1 5 ? 27.660 -5.237 0.264 1.00 0.00 ? 5 HIS B NE2 9 ATOM 12139 H H . HIS B 1 5 ? 26.507 -5.946 -3.271 1.00 0.00 ? 5 HIS B H 9 ATOM 12140 H HA . HIS B 1 5 ? 24.051 -7.247 -3.341 1.00 0.00 ? 5 HIS B HA 9 ATOM 12141 H HB2 . HIS B 1 5 ? 24.492 -7.507 -0.790 1.00 0.00 ? 5 HIS B HB2 9 ATOM 12142 H HB3 . HIS B 1 5 ? 25.619 -8.235 -1.930 1.00 0.00 ? 5 HIS B HB3 9 ATOM 12143 H HD1 . HIS B 1 5 ? 28.009 -7.394 -1.913 1.00 0.00 ? 5 HIS B HD1 9 ATOM 12144 H HD2 . HIS B 1 5 ? 25.482 -5.179 0.532 1.00 0.00 ? 5 HIS B HD2 9 ATOM 12145 H HE1 . HIS B 1 5 ? 29.517 -5.895 -0.568 1.00 0.00 ? 5 HIS B HE1 9 ATOM 12146 H HE2 . HIS B 1 5 ? 27.967 -4.563 0.904 1.00 0.00 ? 5 HIS B HE2 9 ATOM 12147 N N . HIS B 1 6 ? 24.023 -4.455 -1.587 1.00 0.00 ? 6 HIS B N 9 ATOM 12148 C CA . HIS B 1 6 ? 23.149 -3.435 -1.019 1.00 0.00 ? 6 HIS B CA 9 ATOM 12149 C C . HIS B 1 6 ? 22.218 -2.866 -2.083 1.00 0.00 ? 6 HIS B C 9 ATOM 12150 O O . HIS B 1 6 ? 21.013 -2.743 -1.865 1.00 0.00 ? 6 HIS B O 9 ATOM 12151 C CB . HIS B 1 6 ? 23.979 -2.310 -0.396 1.00 0.00 ? 6 HIS B CB 9 ATOM 12152 C CG . HIS B 1 6 ? 23.759 -2.151 1.077 1.00 0.00 ? 6 HIS B CG 9 ATOM 12153 N ND1 . HIS B 1 6 ? 23.460 -3.206 1.913 1.00 0.00 ? 6 HIS B ND1 9 ATOM 12154 C CD2 . HIS B 1 6 ? 23.797 -1.049 1.864 1.00 0.00 ? 6 HIS B CD2 9 ATOM 12155 C CE1 . HIS B 1 6 ? 23.323 -2.761 3.149 1.00 0.00 ? 6 HIS B CE1 9 ATOM 12156 N NE2 . HIS B 1 6 ? 23.522 -1.456 3.145 1.00 0.00 ? 6 HIS B NE2 9 ATOM 12157 H H . HIS B 1 6 ? 24.994 -4.325 -1.556 1.00 0.00 ? 6 HIS B H 9 ATOM 12158 H HA . HIS B 1 6 ? 22.553 -3.901 -0.249 1.00 0.00 ? 6 HIS B HA 9 ATOM 12159 H HB2 . HIS B 1 6 ? 25.027 -2.516 -0.554 1.00 0.00 ? 6 HIS B HB2 9 ATOM 12160 H HB3 . HIS B 1 6 ? 23.724 -1.377 -0.875 1.00 0.00 ? 6 HIS B HB3 9 ATOM 12161 H HD1 . HIS B 1 6 ? 23.362 -4.143 1.640 1.00 0.00 ? 6 HIS B HD1 9 ATOM 12162 H HD2 . HIS B 1 6 ? 24.005 -0.038 1.542 1.00 0.00 ? 6 HIS B HD2 9 ATOM 12163 H HE1 . HIS B 1 6 ? 23.087 -3.362 4.015 1.00 0.00 ? 6 HIS B HE1 9 ATOM 12164 H HE2 . HIS B 1 6 ? 23.481 -0.874 3.933 1.00 0.00 ? 6 HIS B HE2 9 ATOM 12165 N N . GLU B 1 7 ? 22.782 -2.526 -3.238 1.00 0.00 ? 7 GLU B N 9 ATOM 12166 C CA . GLU B 1 7 ? 21.998 -1.976 -4.337 1.00 0.00 ? 7 GLU B CA 9 ATOM 12167 C C . GLU B 1 7 ? 20.878 -2.933 -4.731 1.00 0.00 ? 7 GLU B C 9 ATOM 12168 O O . GLU B 1 7 ? 19.853 -2.517 -5.271 1.00 0.00 ? 7 GLU B O 9 ATOM 12169 C CB . GLU B 1 7 ? 22.896 -1.694 -5.543 1.00 0.00 ? 7 GLU B CB 9 ATOM 12170 C CG . GLU B 1 7 ? 22.278 -0.735 -6.548 1.00 0.00 ? 7 GLU B CG 9 ATOM 12171 C CD . GLU B 1 7 ? 23.160 -0.517 -7.762 1.00 0.00 ? 7 GLU B CD 9 ATOM 12172 O OE1 . GLU B 1 7 ? 24.346 -0.905 -7.711 1.00 0.00 ? 7 GLU B OE1 9 ATOM 12173 O OE2 . GLU B 1 7 ? 22.665 0.040 -8.763 1.00 0.00 ? 7 GLU B OE2 9 ATOM 12174 H H . GLU B 1 7 ? 23.747 -2.650 -3.354 1.00 0.00 ? 7 GLU B H 9 ATOM 12175 H HA . GLU B 1 7 ? 21.559 -1.049 -3.999 1.00 0.00 ? 7 GLU B HA 9 ATOM 12176 H HB2 . GLU B 1 7 ? 23.823 -1.266 -5.193 1.00 0.00 ? 7 GLU B HB2 9 ATOM 12177 H HB3 . GLU B 1 7 ? 23.105 -2.625 -6.047 1.00 0.00 ? 7 GLU B HB3 9 ATOM 12178 H HG2 . GLU B 1 7 ? 21.333 -1.139 -6.878 1.00 0.00 ? 7 GLU B HG2 9 ATOM 12179 H HG3 . GLU B 1 7 ? 22.114 0.216 -6.065 1.00 0.00 ? 7 GLU B HG3 9 ATOM 12180 N N . ASN B 1 8 ? 21.080 -4.217 -4.453 1.00 0.00 ? 8 ASN B N 9 ATOM 12181 C CA . ASN B 1 8 ? 20.084 -5.232 -4.772 1.00 0.00 ? 8 ASN B CA 9 ATOM 12182 C C . ASN B 1 8 ? 18.884 -5.109 -3.843 1.00 0.00 ? 8 ASN B C 9 ATOM 12183 O O . ASN B 1 8 ? 17.756 -4.906 -4.291 1.00 0.00 ? 8 ASN B O 9 ATOM 12184 C CB . ASN B 1 8 ? 20.692 -6.631 -4.662 1.00 0.00 ? 8 ASN B CB 9 ATOM 12185 C CG . ASN B 1 8 ? 20.727 -7.353 -5.995 1.00 0.00 ? 8 ASN B CG 9 ATOM 12186 O OD1 . ASN B 1 8 ? 20.415 -6.776 -7.036 1.00 0.00 ? 8 ASN B OD1 9 ATOM 12187 N ND2 . ASN B 1 8 ? 21.110 -8.625 -5.969 1.00 0.00 ? 8 ASN B ND2 9 ATOM 12188 H H . ASN B 1 8 ? 21.914 -4.487 -4.017 1.00 0.00 ? 8 ASN B H 9 ATOM 12189 H HA . ASN B 1 8 ? 19.757 -5.068 -5.788 1.00 0.00 ? 8 ASN B HA 9 ATOM 12190 H HB2 . ASN B 1 8 ? 21.703 -6.550 -4.291 1.00 0.00 ? 8 ASN B HB2 9 ATOM 12191 H HB3 . ASN B 1 8 ? 20.107 -7.218 -3.970 1.00 0.00 ? 8 ASN B HB3 9 ATOM 12192 H HD21 . ASN B 1 8 ? 21.344 -9.021 -5.103 1.00 0.00 ? 8 ASN B HD21 9 ATOM 12193 H HD22 . ASN B 1 8 ? 21.142 -9.116 -6.816 1.00 0.00 ? 8 ASN B HD22 9 ATOM 12194 N N . GLU B 1 9 ? 19.139 -5.219 -2.543 1.00 0.00 ? 9 GLU B N 9 ATOM 12195 C CA . GLU B 1 9 ? 18.079 -5.104 -1.549 1.00 0.00 ? 9 GLU B CA 9 ATOM 12196 C C . GLU B 1 9 ? 17.375 -3.754 -1.673 1.00 0.00 ? 9 GLU B C 9 ATOM 12197 O O . GLU B 1 9 ? 16.235 -3.594 -1.236 1.00 0.00 ? 9 GLU B O 9 ATOM 12198 C CB . GLU B 1 9 ? 18.653 -5.268 -0.140 1.00 0.00 ? 9 GLU B CB 9 ATOM 12199 C CG . GLU B 1 9 ? 17.678 -5.897 0.842 1.00 0.00 ? 9 GLU B CG 9 ATOM 12200 C CD . GLU B 1 9 ? 17.571 -7.400 0.674 1.00 0.00 ? 9 GLU B CD 9 ATOM 12201 O OE1 . GLU B 1 9 ? 18.503 -8.114 1.098 1.00 0.00 ? 9 GLU B OE1 9 ATOM 12202 O OE2 . GLU B 1 9 ? 16.551 -7.863 0.120 1.00 0.00 ? 9 GLU B OE2 9 ATOM 12203 H H . GLU B 1 9 ? 20.060 -5.370 -2.245 1.00 0.00 ? 9 GLU B H 9 ATOM 12204 H HA . GLU B 1 9 ? 17.362 -5.889 -1.734 1.00 0.00 ? 9 GLU B HA 9 ATOM 12205 H HB2 . GLU B 1 9 ? 19.531 -5.893 -0.194 1.00 0.00 ? 9 GLU B HB2 9 ATOM 12206 H HB3 . GLU B 1 9 ? 18.934 -4.296 0.237 1.00 0.00 ? 9 GLU B HB3 9 ATOM 12207 H HG2 . GLU B 1 9 ? 18.016 -5.686 1.847 1.00 0.00 ? 9 GLU B HG2 9 ATOM 12208 H HG3 . GLU B 1 9 ? 16.703 -5.461 0.692 1.00 0.00 ? 9 GLU B HG3 9 ATOM 12209 N N . ILE B 1 10 ? 18.065 -2.785 -2.271 1.00 0.00 ? 10 ILE B N 9 ATOM 12210 C CA . ILE B 1 10 ? 17.513 -1.451 -2.454 1.00 0.00 ? 10 ILE B CA 9 ATOM 12211 C C . ILE B 1 10 ? 16.437 -1.460 -3.547 1.00 0.00 ? 10 ILE B C 9 ATOM 12212 O O . ILE B 1 10 ? 15.331 -0.962 -3.349 1.00 0.00 ? 10 ILE B O 9 ATOM 12213 C CB . ILE B 1 10 ? 18.659 -0.427 -2.761 1.00 0.00 ? 10 ILE B CB 9 ATOM 12214 C CG1 . ILE B 1 10 ? 18.712 0.643 -1.671 1.00 0.00 ? 10 ILE B CG1 9 ATOM 12215 C CG2 . ILE B 1 10 ? 18.546 0.229 -4.139 1.00 0.00 ? 10 ILE B CG2 9 ATOM 12216 C CD1 . ILE B 1 10 ? 20.084 0.797 -1.051 1.00 0.00 ? 10 ILE B CD1 9 ATOM 12217 H H . ILE B 1 10 ? 18.969 -2.971 -2.598 1.00 0.00 ? 10 ILE B H 9 ATOM 12218 H HA . ILE B 1 10 ? 17.046 -1.163 -1.523 1.00 0.00 ? 10 ILE B HA 9 ATOM 12219 H HB . ILE B 1 10 ? 19.591 -0.972 -2.742 1.00 0.00 ? 10 ILE B HB 9 ATOM 12220 H HG12 . ILE B 1 10 ? 18.432 1.596 -2.095 1.00 0.00 ? 10 ILE B HG12 9 ATOM 12221 H HG13 . ILE B 1 10 ? 18.019 0.385 -0.883 1.00 0.00 ? 10 ILE B HG13 9 ATOM 12222 H HG21 . ILE B 1 10 ? 17.536 0.585 -4.287 1.00 0.00 ? 10 ILE B HG21 9 ATOM 12223 H HG22 . ILE B 1 10 ? 19.233 1.060 -4.199 1.00 0.00 ? 10 ILE B HG22 9 ATOM 12224 H HG23 . ILE B 1 10 ? 18.787 -0.494 -4.904 1.00 0.00 ? 10 ILE B HG23 9 ATOM 12225 H HD11 . ILE B 1 10 ? 20.676 -0.082 -1.264 1.00 0.00 ? 10 ILE B HD11 9 ATOM 12226 H HD12 . ILE B 1 10 ? 20.572 1.667 -1.467 1.00 0.00 ? 10 ILE B HD12 9 ATOM 12227 H HD13 . ILE B 1 10 ? 19.986 0.916 0.017 1.00 0.00 ? 10 ILE B HD13 9 ATOM 12228 N N . SER B 1 11 ? 16.779 -2.032 -4.698 1.00 0.00 ? 11 SER B N 9 ATOM 12229 C CA . SER B 1 11 ? 15.849 -2.107 -5.818 1.00 0.00 ? 11 SER B CA 9 ATOM 12230 C C . SER B 1 11 ? 14.623 -2.936 -5.451 1.00 0.00 ? 11 SER B C 9 ATOM 12231 O O . SER B 1 11 ? 13.529 -2.711 -5.973 1.00 0.00 ? 11 SER B O 9 ATOM 12232 C CB . SER B 1 11 ? 16.539 -2.710 -7.042 1.00 0.00 ? 11 SER B CB 9 ATOM 12233 O OG . SER B 1 11 ? 17.783 -2.077 -7.291 1.00 0.00 ? 11 SER B OG 9 ATOM 12234 H H . SER B 1 11 ? 17.677 -2.413 -4.796 1.00 0.00 ? 11 SER B H 9 ATOM 12235 H HA . SER B 1 11 ? 15.531 -1.102 -6.053 1.00 0.00 ? 11 SER B HA 9 ATOM 12236 H HB2 . SER B 1 11 ? 16.713 -3.762 -6.873 1.00 0.00 ? 11 SER B HB2 9 ATOM 12237 H HB3 . SER B 1 11 ? 15.906 -2.585 -7.908 1.00 0.00 ? 11 SER B HB3 9 ATOM 12238 H HG . SER B 1 11 ? 17.985 -2.126 -8.228 1.00 0.00 ? 11 SER B HG 9 ATOM 12239 N N . HIS B 1 12 ? 14.809 -3.894 -4.549 1.00 0.00 ? 12 HIS B N 9 ATOM 12240 C CA . HIS B 1 12 ? 13.717 -4.752 -4.117 1.00 0.00 ? 12 HIS B CA 9 ATOM 12241 C C . HIS B 1 12 ? 12.728 -3.957 -3.257 1.00 0.00 ? 12 HIS B C 9 ATOM 12242 O O . HIS B 1 12 ? 11.517 -4.027 -3.467 1.00 0.00 ? 12 HIS B O 9 ATOM 12243 C CB . HIS B 1 12 ? 14.288 -5.992 -3.389 1.00 0.00 ? 12 HIS B CB 9 ATOM 12244 C CG . HIS B 1 12 ? 13.666 -6.322 -2.061 1.00 0.00 ? 12 HIS B CG 9 ATOM 12245 N ND1 . HIS B 1 12 ? 12.425 -6.912 -1.933 1.00 0.00 ? 12 HIS B ND1 9 ATOM 12246 C CD2 . HIS B 1 12 ? 14.129 -6.142 -0.805 1.00 0.00 ? 12 HIS B CD2 9 ATOM 12247 C CE1 . HIS B 1 12 ? 12.152 -7.081 -0.651 1.00 0.00 ? 12 HIS B CE1 9 ATOM 12248 N NE2 . HIS B 1 12 ? 13.170 -6.622 0.054 1.00 0.00 ? 12 HIS B NE2 9 ATOM 12249 H H . HIS B 1 12 ? 15.701 -4.027 -4.165 1.00 0.00 ? 12 HIS B H 9 ATOM 12250 H HA . HIS B 1 12 ? 13.198 -5.083 -5.005 1.00 0.00 ? 12 HIS B HA 9 ATOM 12251 H HB2 . HIS B 1 12 ? 14.161 -6.853 -4.024 1.00 0.00 ? 12 HIS B HB2 9 ATOM 12252 H HB3 . HIS B 1 12 ? 15.346 -5.836 -3.225 1.00 0.00 ? 12 HIS B HB3 9 ATOM 12253 H HD1 . HIS B 1 12 ? 11.834 -7.168 -2.671 1.00 0.00 ? 12 HIS B HD1 9 ATOM 12254 H HD2 . HIS B 1 12 ? 15.075 -5.698 -0.530 1.00 0.00 ? 12 HIS B HD2 9 ATOM 12255 H HE1 . HIS B 1 12 ? 11.252 -7.519 -0.248 1.00 0.00 ? 12 HIS B HE1 9 ATOM 12256 H HE2 . HIS B 1 12 ? 13.230 -6.626 1.032 1.00 0.00 ? 12 HIS B HE2 9 ATOM 12257 N N . HIS B 1 13 ? 13.248 -3.188 -2.302 1.00 0.00 ? 13 HIS B N 9 ATOM 12258 C CA . HIS B 1 13 ? 12.392 -2.379 -1.444 1.00 0.00 ? 13 HIS B CA 9 ATOM 12259 C C . HIS B 1 13 ? 11.652 -1.338 -2.273 1.00 0.00 ? 13 HIS B C 9 ATOM 12260 O O . HIS B 1 13 ? 10.570 -0.893 -1.902 1.00 0.00 ? 13 HIS B O 9 ATOM 12261 C CB . HIS B 1 13 ? 13.200 -1.673 -0.356 1.00 0.00 ? 13 HIS B CB 9 ATOM 12262 C CG . HIS B 1 13 ? 14.047 -2.583 0.470 1.00 0.00 ? 13 HIS B CG 9 ATOM 12263 N ND1 . HIS B 1 13 ? 13.711 -3.890 0.749 1.00 0.00 ? 13 HIS B ND1 9 ATOM 12264 C CD2 . HIS B 1 13 ? 15.225 -2.357 1.087 1.00 0.00 ? 13 HIS B CD2 9 ATOM 12265 C CE1 . HIS B 1 13 ? 14.650 -4.430 1.506 1.00 0.00 ? 13 HIS B CE1 9 ATOM 12266 N NE2 . HIS B 1 13 ? 15.580 -3.520 1.725 1.00 0.00 ? 13 HIS B NE2 9 ATOM 12267 H H . HIS B 1 13 ? 14.221 -3.156 -2.182 1.00 0.00 ? 13 HIS B H 9 ATOM 12268 H HA . HIS B 1 13 ? 11.670 -3.035 -0.980 1.00 0.00 ? 13 HIS B HA 9 ATOM 12269 H HB2 . HIS B 1 13 ? 13.851 -0.948 -0.817 1.00 0.00 ? 13 HIS B HB2 9 ATOM 12270 H HB3 . HIS B 1 13 ? 12.518 -1.163 0.309 1.00 0.00 ? 13 HIS B HB3 9 ATOM 12271 H HD1 . HIS B 1 13 ? 12.905 -4.353 0.440 1.00 0.00 ? 13 HIS B HD1 9 ATOM 12272 H HD2 . HIS B 1 13 ? 15.778 -1.428 1.083 1.00 0.00 ? 13 HIS B HD2 9 ATOM 12273 H HE1 . HIS B 1 13 ? 14.656 -5.443 1.882 1.00 0.00 ? 13 HIS B HE1 9 ATOM 12274 H HE2 . HIS B 1 13 ? 16.392 -3.656 2.257 1.00 0.00 ? 13 HIS B HE2 9 ATOM 12275 N N . ALA B 1 14 ? 12.250 -0.952 -3.398 1.00 0.00 ? 14 ALA B N 9 ATOM 12276 C CA . ALA B 1 14 ? 11.647 0.037 -4.281 1.00 0.00 ? 14 ALA B CA 9 ATOM 12277 C C . ALA B 1 14 ? 10.366 -0.507 -4.892 1.00 0.00 ? 14 ALA B C 9 ATOM 12278 O O . ALA B 1 14 ? 9.314 0.125 -4.818 1.00 0.00 ? 14 ALA B O 9 ATOM 12279 C CB . ALA B 1 14 ? 12.627 0.445 -5.370 1.00 0.00 ? 14 ALA B CB 9 ATOM 12280 H H . ALA B 1 14 ? 13.115 -1.342 -3.639 1.00 0.00 ? 14 ALA B H 9 ATOM 12281 H HA . ALA B 1 14 ? 11.410 0.911 -3.691 1.00 0.00 ? 14 ALA B HA 9 ATOM 12282 H HB1 . ALA B 1 14 ? 13.068 -0.438 -5.807 1.00 0.00 ? 14 ALA B HB1 9 ATOM 12283 H HB2 . ALA B 1 14 ? 13.405 1.061 -4.942 1.00 0.00 ? 14 ALA B HB2 9 ATOM 12284 H HB3 . ALA B 1 14 ? 12.105 1.002 -6.133 1.00 0.00 ? 14 ALA B HB3 9 ATOM 12285 N N . LYS B 1 15 ? 10.456 -1.692 -5.483 1.00 0.00 ? 15 LYS B N 9 ATOM 12286 C CA . LYS B 1 15 ? 9.294 -2.325 -6.087 1.00 0.00 ? 15 LYS B CA 9 ATOM 12287 C C . LYS B 1 15 ? 8.262 -2.676 -5.017 1.00 0.00 ? 15 LYS B C 9 ATOM 12288 O O . LYS B 1 15 ? 7.080 -2.849 -5.314 1.00 0.00 ? 15 LYS B O 9 ATOM 12289 C CB . LYS B 1 15 ? 9.707 -3.585 -6.851 1.00 0.00 ? 15 LYS B CB 9 ATOM 12290 C CG . LYS B 1 15 ? 9.268 -3.586 -8.305 1.00 0.00 ? 15 LYS B CG 9 ATOM 12291 C CD . LYS B 1 15 ? 10.011 -4.640 -9.111 1.00 0.00 ? 15 LYS B CD 9 ATOM 12292 C CE . LYS B 1 15 ? 9.176 -5.899 -9.284 1.00 0.00 ? 15 LYS B CE 9 ATOM 12293 N NZ . LYS B 1 15 ? 10.021 -7.124 -9.335 1.00 0.00 ? 15 LYS B NZ 9 ATOM 12294 H H . LYS B 1 15 ? 11.321 -2.156 -5.501 1.00 0.00 ? 15 LYS B H 9 ATOM 12295 H HA . LYS B 1 15 ? 8.854 -1.621 -6.779 1.00 0.00 ? 15 LYS B HA 9 ATOM 12296 H HB2 . LYS B 1 15 ? 10.784 -3.671 -6.821 1.00 0.00 ? 15 LYS B HB2 9 ATOM 12297 H HB3 . LYS B 1 15 ? 9.273 -4.445 -6.365 1.00 0.00 ? 15 LYS B HB3 9 ATOM 12298 H HG2 . LYS B 1 15 ? 8.209 -3.793 -8.352 1.00 0.00 ? 15 LYS B HG2 9 ATOM 12299 H HG3 . LYS B 1 15 ? 9.466 -2.614 -8.732 1.00 0.00 ? 15 LYS B HG3 9 ATOM 12300 H HD2 . LYS B 1 15 ? 10.243 -4.237 -10.084 1.00 0.00 ? 15 LYS B HD2 9 ATOM 12301 H HD3 . LYS B 1 15 ? 10.926 -4.894 -8.595 1.00 0.00 ? 15 LYS B HD3 9 ATOM 12302 H HE2 . LYS B 1 15 ? 8.492 -5.980 -8.453 1.00 0.00 ? 15 LYS B HE2 9 ATOM 12303 H HE3 . LYS B 1 15 ? 8.616 -5.820 -10.204 1.00 0.00 ? 15 LYS B HE3 9 ATOM 12304 H HZ1 . LYS B 1 15 ? 10.871 -6.997 -8.748 1.00 0.00 ? 15 LYS B HZ1 9 ATOM 12305 H HZ2 . LYS B 1 15 ? 9.487 -7.942 -8.980 1.00 0.00 ? 15 LYS B HZ2 9 ATOM 12306 H HZ3 . LYS B 1 15 ? 10.316 -7.314 -10.315 1.00 0.00 ? 15 LYS B HZ3 9 ATOM 12307 N N . GLU B 1 16 ? 8.719 -2.780 -3.769 1.00 0.00 ? 16 GLU B N 9 ATOM 12308 C CA . GLU B 1 16 ? 7.840 -3.110 -2.656 1.00 0.00 ? 16 GLU B CA 9 ATOM 12309 C C . GLU B 1 16 ? 6.958 -1.924 -2.276 1.00 0.00 ? 16 GLU B C 9 ATOM 12310 O O . GLU B 1 16 ? 5.765 -2.088 -2.023 1.00 0.00 ? 16 GLU B O 9 ATOM 12311 C CB . GLU B 1 16 ? 8.661 -3.557 -1.446 1.00 0.00 ? 16 GLU B CB 9 ATOM 12312 C CG . GLU B 1 16 ? 9.370 -4.885 -1.649 1.00 0.00 ? 16 GLU B CG 9 ATOM 12313 C CD . GLU B 1 16 ? 8.478 -6.074 -1.348 1.00 0.00 ? 16 GLU B CD 9 ATOM 12314 O OE1 . GLU B 1 16 ? 7.323 -5.857 -0.925 1.00 0.00 ? 16 GLU B OE1 9 ATOM 12315 O OE2 . GLU B 1 16 ? 8.935 -7.221 -1.534 1.00 0.00 ? 16 GLU B OE2 9 ATOM 12316 H H . GLU B 1 16 ? 9.671 -2.633 -3.593 1.00 0.00 ? 16 GLU B H 9 ATOM 12317 H HA . GLU B 1 16 ? 7.206 -3.926 -2.968 1.00 0.00 ? 16 GLU B HA 9 ATOM 12318 H HB2 . GLU B 1 16 ? 9.407 -2.804 -1.234 1.00 0.00 ? 16 GLU B HB2 9 ATOM 12319 H HB3 . GLU B 1 16 ? 8.005 -3.649 -0.595 1.00 0.00 ? 16 GLU B HB3 9 ATOM 12320 H HG2 . GLU B 1 16 ? 9.697 -4.952 -2.676 1.00 0.00 ? 16 GLU B HG2 9 ATOM 12321 H HG3 . GLU B 1 16 ? 10.230 -4.924 -0.996 1.00 0.00 ? 16 GLU B HG3 9 ATOM 12322 N N . ILE B 1 17 ? 7.543 -0.728 -2.234 1.00 0.00 ? 17 ILE B N 9 ATOM 12323 C CA . ILE B 1 17 ? 6.788 0.468 -1.883 1.00 0.00 ? 17 ILE B CA 9 ATOM 12324 C C . ILE B 1 17 ? 5.830 0.850 -3.012 1.00 0.00 ? 17 ILE B C 9 ATOM 12325 O O . ILE B 1 17 ? 4.701 1.276 -2.764 1.00 0.00 ? 17 ILE B O 9 ATOM 12326 C CB . ILE B 1 17 ? 7.733 1.652 -1.545 1.00 0.00 ? 17 ILE B CB 9 ATOM 12327 C CG1 . ILE B 1 17 ? 6.964 2.975 -1.439 1.00 0.00 ? 17 ILE B CG1 9 ATOM 12328 C CG2 . ILE B 1 17 ? 8.842 1.764 -2.580 1.00 0.00 ? 17 ILE B CG2 9 ATOM 12329 C CD1 . ILE B 1 17 ? 7.165 3.686 -0.120 1.00 0.00 ? 17 ILE B CD1 9 ATOM 12330 H H . ILE B 1 17 ? 8.500 -0.649 -2.446 1.00 0.00 ? 17 ILE B H 9 ATOM 12331 H HA . ILE B 1 17 ? 6.206 0.241 -1.001 1.00 0.00 ? 17 ILE B HA 9 ATOM 12332 H HB . ILE B 1 17 ? 8.196 1.442 -0.592 1.00 0.00 ? 17 ILE B HB 9 ATOM 12333 H HG12 . ILE B 1 17 ? 7.294 3.639 -2.225 1.00 0.00 ? 17 ILE B HG12 9 ATOM 12334 H HG13 . ILE B 1 17 ? 5.909 2.784 -1.557 1.00 0.00 ? 17 ILE B HG13 9 ATOM 12335 H HG21 . ILE B 1 17 ? 8.420 1.674 -3.570 1.00 0.00 ? 17 ILE B HG21 9 ATOM 12336 H HG22 . ILE B 1 17 ? 9.328 2.724 -2.482 1.00 0.00 ? 17 ILE B HG22 9 ATOM 12337 H HG23 . ILE B 1 17 ? 9.563 0.977 -2.422 1.00 0.00 ? 17 ILE B HG23 9 ATOM 12338 H HD11 . ILE B 1 17 ? 7.530 2.985 0.616 1.00 0.00 ? 17 ILE B HD11 9 ATOM 12339 H HD12 . ILE B 1 17 ? 7.883 4.482 -0.246 1.00 0.00 ? 17 ILE B HD12 9 ATOM 12340 H HD13 . ILE B 1 17 ? 6.224 4.099 0.214 1.00 0.00 ? 17 ILE B HD13 9 ATOM 12341 N N . GLU B 1 18 ? 6.280 0.684 -4.250 1.00 0.00 ? 18 GLU B N 9 ATOM 12342 C CA . GLU B 1 18 ? 5.454 1.003 -5.407 1.00 0.00 ? 18 GLU B CA 9 ATOM 12343 C C . GLU B 1 18 ? 4.335 -0.021 -5.568 1.00 0.00 ? 18 GLU B C 9 ATOM 12344 O O . GLU B 1 18 ? 3.256 0.294 -6.071 1.00 0.00 ? 18 GLU B O 9 ATOM 12345 C CB . GLU B 1 18 ? 6.310 1.046 -6.675 1.00 0.00 ? 18 GLU B CB 9 ATOM 12346 C CG . GLU B 1 18 ? 6.736 2.450 -7.073 1.00 0.00 ? 18 GLU B CG 9 ATOM 12347 C CD . GLU B 1 18 ? 6.932 2.597 -8.569 1.00 0.00 ? 18 GLU B CD 9 ATOM 12348 O OE1 . GLU B 1 18 ? 6.846 1.575 -9.283 1.00 0.00 ? 18 GLU B OE1 9 ATOM 12349 O OE2 . GLU B 1 18 ? 7.171 3.734 -9.028 1.00 0.00 ? 18 GLU B OE2 9 ATOM 12350 H H . GLU B 1 18 ? 7.183 0.332 -4.388 1.00 0.00 ? 18 GLU B H 9 ATOM 12351 H HA . GLU B 1 18 ? 5.016 1.976 -5.244 1.00 0.00 ? 18 GLU B HA 9 ATOM 12352 H HB2 . GLU B 1 18 ? 7.199 0.454 -6.517 1.00 0.00 ? 18 GLU B HB2 9 ATOM 12353 H HB3 . GLU B 1 18 ? 5.745 0.619 -7.491 1.00 0.00 ? 18 GLU B HB3 9 ATOM 12354 H HG2 . GLU B 1 18 ? 5.977 3.147 -6.754 1.00 0.00 ? 18 GLU B HG2 9 ATOM 12355 H HG3 . GLU B 1 18 ? 7.668 2.682 -6.578 1.00 0.00 ? 18 GLU B HG3 9 ATOM 12356 N N . ARG B 1 19 ? 4.602 -1.250 -5.135 1.00 0.00 ? 19 ARG B N 9 ATOM 12357 C CA . ARG B 1 19 ? 3.621 -2.324 -5.229 1.00 0.00 ? 19 ARG B CA 9 ATOM 12358 C C . ARG B 1 19 ? 2.495 -2.130 -4.218 1.00 0.00 ? 19 ARG B C 9 ATOM 12359 O O . ARG B 1 19 ? 1.323 -2.348 -4.529 1.00 0.00 ? 19 ARG B O 9 ATOM 12360 C CB . ARG B 1 19 ? 4.295 -3.679 -5.004 1.00 0.00 ? 19 ARG B CB 9 ATOM 12361 C CG . ARG B 1 19 ? 3.340 -4.857 -5.100 1.00 0.00 ? 19 ARG B CG 9 ATOM 12362 C CD . ARG B 1 19 ? 4.061 -6.178 -4.879 1.00 0.00 ? 19 ARG B CD 9 ATOM 12363 N NE . ARG B 1 19 ? 5.140 -6.380 -5.842 1.00 0.00 ? 19 ARG B NE 9 ATOM 12364 C CZ . ARG B 1 19 ? 6.014 -7.378 -5.769 1.00 0.00 ? 19 ARG B CZ 9 ATOM 12365 N NH1 . ARG B 1 19 ? 5.935 -8.261 -4.783 1.00 0.00 ? 19 ARG B NH1 9 ATOM 12366 N NH2 . ARG B 1 19 ? 6.968 -7.495 -6.682 1.00 0.00 ? 19 ARG B NH2 9 ATOM 12367 H H . ARG B 1 19 ? 5.480 -1.438 -4.742 1.00 0.00 ? 19 ARG B H 9 ATOM 12368 H HA . ARG B 1 19 ? 3.202 -2.303 -6.224 1.00 0.00 ? 19 ARG B HA 9 ATOM 12369 H HB2 . ARG B 1 19 ? 5.070 -3.810 -5.744 1.00 0.00 ? 19 ARG B HB2 9 ATOM 12370 H HB3 . ARG B 1 19 ? 4.743 -3.686 -4.021 1.00 0.00 ? 19 ARG B HB3 9 ATOM 12371 H HG2 . ARG B 1 19 ? 2.572 -4.749 -4.349 1.00 0.00 ? 19 ARG B HG2 9 ATOM 12372 H HG3 . ARG B 1 19 ? 2.888 -4.862 -6.081 1.00 0.00 ? 19 ARG B HG3 9 ATOM 12373 H HD2 . ARG B 1 19 ? 4.475 -6.185 -3.883 1.00 0.00 ? 19 ARG B HD2 9 ATOM 12374 H HD3 . ARG B 1 19 ? 3.348 -6.983 -4.978 1.00 0.00 ? 19 ARG B HD3 9 ATOM 12375 H HE . ARG B 1 19 ? 5.217 -5.738 -6.579 1.00 0.00 ? 19 ARG B HE 9 ATOM 12376 H HH11 . ARG B 1 19 ? 5.217 -8.176 -4.092 1.00 0.00 ? 19 ARG B HH11 9 ATOM 12377 H HH12 . ARG B 1 19 ? 6.594 -9.011 -4.730 1.00 0.00 ? 19 ARG B HH12 9 ATOM 12378 H HH21 . ARG B 1 19 ? 7.031 -6.831 -7.428 1.00 0.00 ? 19 ARG B HH21 9 ATOM 12379 H HH22 . ARG B 1 19 ? 7.626 -8.246 -6.626 1.00 0.00 ? 19 ARG B HH22 9 ATOM 12380 N N . LEU B 1 20 ? 2.855 -1.717 -3.006 1.00 0.00 ? 20 LEU B N 9 ATOM 12381 C CA . LEU B 1 20 ? 1.869 -1.496 -1.958 1.00 0.00 ? 20 LEU B CA 9 ATOM 12382 C C . LEU B 1 20 ? 1.052 -0.243 -2.249 1.00 0.00 ? 20 LEU B C 9 ATOM 12383 O O . LEU B 1 20 ? -0.092 -0.124 -1.814 1.00 0.00 ? 20 LEU B O 9 ATOM 12384 C CB . LEU B 1 20 ? 2.556 -1.379 -0.597 1.00 0.00 ? 20 LEU B CB 9 ATOM 12385 C CG . LEU B 1 20 ? 2.835 -2.709 0.106 1.00 0.00 ? 20 LEU B CG 9 ATOM 12386 C CD1 . LEU B 1 20 ? 1.563 -3.535 0.210 1.00 0.00 ? 20 LEU B CD1 9 ATOM 12387 C CD2 . LEU B 1 20 ? 3.918 -3.483 -0.630 1.00 0.00 ? 20 LEU B CD2 9 ATOM 12388 H H . LEU B 1 20 ? 3.801 -1.555 -2.813 1.00 0.00 ? 20 LEU B H 9 ATOM 12389 H HA . LEU B 1 20 ? 1.205 -2.347 -1.944 1.00 0.00 ? 20 LEU B HA 9 ATOM 12390 H HB2 . LEU B 1 20 ? 3.496 -0.863 -0.735 1.00 0.00 ? 20 LEU B HB2 9 ATOM 12391 H HB3 . LEU B 1 20 ? 1.930 -0.781 0.049 1.00 0.00 ? 20 LEU B HB3 9 ATOM 12392 H HG . LEU B 1 20 ? 3.187 -2.510 1.108 1.00 0.00 ? 20 LEU B HG 9 ATOM 12393 H HD11 . LEU B 1 20 ? 0.767 -2.921 0.602 1.00 0.00 ? 20 LEU B HD11 9 ATOM 12394 H HD12 . LEU B 1 20 ? 1.289 -3.899 -0.769 1.00 0.00 ? 20 LEU B HD12 9 ATOM 12395 H HD13 . LEU B 1 20 ? 1.732 -4.372 0.872 1.00 0.00 ? 20 LEU B HD13 9 ATOM 12396 H HD21 . LEU B 1 20 ? 3.812 -3.329 -1.693 1.00 0.00 ? 20 LEU B HD21 9 ATOM 12397 H HD22 . LEU B 1 20 ? 4.890 -3.135 -0.312 1.00 0.00 ? 20 LEU B HD22 9 ATOM 12398 H HD23 . LEU B 1 20 ? 3.823 -4.535 -0.408 1.00 0.00 ? 20 LEU B HD23 9 ATOM 12399 N N . GLN B 1 21 ? 1.644 0.686 -2.995 1.00 0.00 ? 21 GLN B N 9 ATOM 12400 C CA . GLN B 1 21 ? 0.960 1.924 -3.352 1.00 0.00 ? 21 GLN B CA 9 ATOM 12401 C C . GLN B 1 21 ? -0.085 1.662 -4.430 1.00 0.00 ? 21 GLN B C 9 ATOM 12402 O O . GLN B 1 21 ? -1.150 2.281 -4.444 1.00 0.00 ? 21 GLN B O 9 ATOM 12403 C CB . GLN B 1 21 ? 1.963 2.971 -3.839 1.00 0.00 ? 21 GLN B CB 9 ATOM 12404 C CG . GLN B 1 21 ? 1.744 4.350 -3.237 1.00 0.00 ? 21 GLN B CG 9 ATOM 12405 C CD . GLN B 1 21 ? 3.013 5.178 -3.201 1.00 0.00 ? 21 GLN B CD 9 ATOM 12406 O OE1 . GLN B 1 21 ? 3.367 5.749 -2.169 1.00 0.00 ? 21 GLN B OE1 9 ATOM 12407 N NE2 . GLN B 1 21 ? 3.707 5.249 -4.331 1.00 0.00 ? 21 GLN B NE2 9 ATOM 12408 H H . GLN B 1 21 ? 2.557 0.533 -3.318 1.00 0.00 ? 21 GLN B H 9 ATOM 12409 H HA . GLN B 1 21 ? 0.460 2.293 -2.469 1.00 0.00 ? 21 GLN B HA 9 ATOM 12410 H HB2 . GLN B 1 21 ? 2.960 2.644 -3.583 1.00 0.00 ? 21 GLN B HB2 9 ATOM 12411 H HB3 . GLN B 1 21 ? 1.885 3.054 -4.913 1.00 0.00 ? 21 GLN B HB3 9 ATOM 12412 H HG2 . GLN B 1 21 ? 1.008 4.873 -3.828 1.00 0.00 ? 21 GLN B HG2 9 ATOM 12413 H HG3 . GLN B 1 21 ? 1.378 4.234 -2.227 1.00 0.00 ? 21 GLN B HG3 9 ATOM 12414 H HE21 . GLN B 1 21 ? 3.365 4.769 -5.115 1.00 0.00 ? 21 GLN B HE21 9 ATOM 12415 H HE22 . GLN B 1 21 ? 4.531 5.778 -4.336 1.00 0.00 ? 21 GLN B HE22 9 ATOM 12416 N N . LYS B 1 22 ? 0.221 0.733 -5.328 1.00 0.00 ? 22 LYS B N 9 ATOM 12417 C CA . LYS B 1 22 ? -0.699 0.381 -6.398 1.00 0.00 ? 22 LYS B CA 9 ATOM 12418 C C . LYS B 1 22 ? -1.874 -0.410 -5.837 1.00 0.00 ? 22 LYS B C 9 ATOM 12419 O O . LYS B 1 22 ? -2.997 -0.323 -6.339 1.00 0.00 ? 22 LYS B O 9 ATOM 12420 C CB . LYS B 1 22 ? 0.019 -0.436 -7.475 1.00 0.00 ? 22 LYS B CB 9 ATOM 12421 C CG . LYS B 1 22 ? -0.090 0.165 -8.866 1.00 0.00 ? 22 LYS B CG 9 ATOM 12422 C CD . LYS B 1 22 ? -1.396 -0.224 -9.541 1.00 0.00 ? 22 LYS B CD 9 ATOM 12423 C CE . LYS B 1 22 ? -1.425 -1.705 -9.885 1.00 0.00 ? 22 LYS B CE 9 ATOM 12424 N NZ . LYS B 1 22 ? -1.625 -1.933 -11.343 1.00 0.00 ? 22 LYS B NZ 9 ATOM 12425 H H . LYS B 1 22 ? 1.082 0.268 -5.263 1.00 0.00 ? 22 LYS B H 9 ATOM 12426 H HA . LYS B 1 22 ? -1.069 1.297 -6.835 1.00 0.00 ? 22 LYS B HA 9 ATOM 12427 H HB2 . LYS B 1 22 ? 1.064 -0.508 -7.217 1.00 0.00 ? 22 LYS B HB2 9 ATOM 12428 H HB3 . LYS B 1 22 ? -0.407 -1.428 -7.500 1.00 0.00 ? 22 LYS B HB3 9 ATOM 12429 H HG2 . LYS B 1 22 ? -0.044 1.240 -8.789 1.00 0.00 ? 22 LYS B HG2 9 ATOM 12430 H HG3 . LYS B 1 22 ? 0.735 -0.191 -9.467 1.00 0.00 ? 22 LYS B HG3 9 ATOM 12431 H HD2 . LYS B 1 22 ? -2.214 -0.004 -8.872 1.00 0.00 ? 22 LYS B HD2 9 ATOM 12432 H HD3 . LYS B 1 22 ? -1.506 0.350 -10.449 1.00 0.00 ? 22 LYS B HD3 9 ATOM 12433 H HE2 . LYS B 1 22 ? -0.488 -2.150 -9.585 1.00 0.00 ? 22 LYS B HE2 9 ATOM 12434 H HE3 . LYS B 1 22 ? -2.234 -2.171 -9.342 1.00 0.00 ? 22 LYS B HE3 9 ATOM 12435 H HZ1 . LYS B 1 22 ? -1.408 -1.065 -11.874 1.00 0.00 ? 22 LYS B HZ1 9 ATOM 12436 H HZ2 . LYS B 1 22 ? -0.997 -2.694 -11.674 1.00 0.00 ? 22 LYS B HZ2 9 ATOM 12437 H HZ3 . LYS B 1 22 ? -2.611 -2.203 -11.531 1.00 0.00 ? 22 LYS B HZ3 9 ATOM 12438 N N . GLU B 1 23 ? -1.606 -1.179 -4.786 1.00 0.00 ? 23 GLU B N 9 ATOM 12439 C CA . GLU B 1 23 ? -2.635 -1.987 -4.146 1.00 0.00 ? 23 GLU B CA 9 ATOM 12440 C C . GLU B 1 23 ? -3.635 -1.107 -3.405 1.00 0.00 ? 23 GLU B C 9 ATOM 12441 O O . GLU B 1 23 ? -4.843 -1.257 -3.576 1.00 0.00 ? 23 GLU B O 9 ATOM 12442 C CB . GLU B 1 23 ? -2.003 -2.990 -3.181 1.00 0.00 ? 23 GLU B CB 9 ATOM 12443 C CG . GLU B 1 23 ? -0.988 -3.911 -3.840 1.00 0.00 ? 23 GLU B CG 9 ATOM 12444 C CD . GLU B 1 23 ? -1.504 -5.328 -3.998 1.00 0.00 ? 23 GLU B CD 9 ATOM 12445 O OE1 . GLU B 1 23 ? -2.700 -5.493 -4.318 1.00 0.00 ? 23 GLU B OE1 9 ATOM 12446 O OE2 . GLU B 1 23 ? -0.711 -6.274 -3.800 1.00 0.00 ? 23 GLU B OE2 9 ATOM 12447 H H . GLU B 1 23 ? -0.692 -1.201 -4.432 1.00 0.00 ? 23 GLU B H 9 ATOM 12448 H HA . GLU B 1 23 ? -3.160 -2.525 -4.921 1.00 0.00 ? 23 GLU B HA 9 ATOM 12449 H HB2 . GLU B 1 23 ? -1.504 -2.448 -2.391 1.00 0.00 ? 23 GLU B HB2 9 ATOM 12450 H HB3 . GLU B 1 23 ? -2.783 -3.600 -2.750 1.00 0.00 ? 23 GLU B HB3 9 ATOM 12451 H HG2 . GLU B 1 23 ? -0.749 -3.521 -4.817 1.00 0.00 ? 23 GLU B HG2 9 ATOM 12452 H HG3 . GLU B 1 23 ? -0.094 -3.935 -3.234 1.00 0.00 ? 23 GLU B HG3 9 ATOM 12453 N N . ILE B 1 24 ? -3.133 -0.184 -2.589 1.00 0.00 ? 24 ILE B N 9 ATOM 12454 C CA . ILE B 1 24 ? -4.007 0.714 -1.845 1.00 0.00 ? 24 ILE B CA 9 ATOM 12455 C C . ILE B 1 24 ? -4.770 1.617 -2.812 1.00 0.00 ? 24 ILE B C 9 ATOM 12456 O O . ILE B 1 24 ? -5.869 2.076 -2.509 1.00 0.00 ? 24 ILE B O 9 ATOM 12457 C CB . ILE B 1 24 ? -3.216 1.567 -0.813 1.00 0.00 ? 24 ILE B CB 9 ATOM 12458 C CG1 . ILE B 1 24 ? -4.054 2.744 -0.296 1.00 0.00 ? 24 ILE B CG1 9 ATOM 12459 C CG2 . ILE B 1 24 ? -1.916 2.066 -1.413 1.00 0.00 ? 24 ILE B CG2 9 ATOM 12460 C CD1 . ILE B 1 24 ? -3.546 3.318 1.010 1.00 0.00 ? 24 ILE B CD1 9 ATOM 12461 H H . ILE B 1 24 ? -2.161 -0.101 -2.494 1.00 0.00 ? 24 ILE B H 9 ATOM 12462 H HA . ILE B 1 24 ? -4.720 0.106 -1.306 1.00 0.00 ? 24 ILE B HA 9 ATOM 12463 H HB . ILE B 1 24 ? -2.967 0.929 0.019 1.00 0.00 ? 24 ILE B HB 9 ATOM 12464 H HG12 . ILE B 1 24 ? -4.044 3.536 -1.030 1.00 0.00 ? 24 ILE B HG12 9 ATOM 12465 H HG13 . ILE B 1 24 ? -5.070 2.414 -0.143 1.00 0.00 ? 24 ILE B HG13 9 ATOM 12466 H HG21 . ILE B 1 24 ? -1.885 1.815 -2.461 1.00 0.00 ? 24 ILE B HG21 9 ATOM 12467 H HG22 . ILE B 1 24 ? -1.853 3.138 -1.297 1.00 0.00 ? 24 ILE B HG22 9 ATOM 12468 H HG23 . ILE B 1 24 ? -1.085 1.599 -0.905 1.00 0.00 ? 24 ILE B HG23 9 ATOM 12469 H HD11 . ILE B 1 24 ? -3.264 2.512 1.671 1.00 0.00 ? 24 ILE B HD11 9 ATOM 12470 H HD12 . ILE B 1 24 ? -2.687 3.943 0.817 1.00 0.00 ? 24 ILE B HD12 9 ATOM 12471 H HD13 . ILE B 1 24 ? -4.324 3.907 1.471 1.00 0.00 ? 24 ILE B HD13 9 ATOM 12472 N N . GLU B 1 25 ? -4.182 1.859 -3.979 1.00 0.00 ? 25 GLU B N 9 ATOM 12473 C CA . GLU B 1 25 ? -4.813 2.696 -4.990 1.00 0.00 ? 25 GLU B CA 9 ATOM 12474 C C . GLU B 1 25 ? -6.101 2.051 -5.493 1.00 0.00 ? 25 GLU B C 9 ATOM 12475 O O . GLU B 1 25 ? -7.146 2.701 -5.568 1.00 0.00 ? 25 GLU B O 9 ATOM 12476 C CB . GLU B 1 25 ? -3.855 2.935 -6.159 1.00 0.00 ? 25 GLU B CB 9 ATOM 12477 C CG . GLU B 1 25 ? -4.433 3.825 -7.247 1.00 0.00 ? 25 GLU B CG 9 ATOM 12478 C CD . GLU B 1 25 ? -3.441 4.106 -8.357 1.00 0.00 ? 25 GLU B CD 9 ATOM 12479 O OE1 . GLU B 1 25 ? -2.474 3.327 -8.502 1.00 0.00 ? 25 GLU B OE1 9 ATOM 12480 O OE2 . GLU B 1 25 ? -3.628 5.106 -9.083 1.00 0.00 ? 25 GLU B OE2 9 ATOM 12481 H H . GLU B 1 25 ? -3.306 1.460 -4.168 1.00 0.00 ? 25 GLU B H 9 ATOM 12482 H HA . GLU B 1 25 ? -5.054 3.645 -4.532 1.00 0.00 ? 25 GLU B HA 9 ATOM 12483 H HB2 . GLU B 1 25 ? -2.956 3.399 -5.783 1.00 0.00 ? 25 GLU B HB2 9 ATOM 12484 H HB3 . GLU B 1 25 ? -3.600 1.982 -6.600 1.00 0.00 ? 25 GLU B HB3 9 ATOM 12485 H HG2 . GLU B 1 25 ? -5.297 3.336 -7.673 1.00 0.00 ? 25 GLU B HG2 9 ATOM 12486 H HG3 . GLU B 1 25 ? -4.732 4.764 -6.805 1.00 0.00 ? 25 GLU B HG3 9 ATOM 12487 N N . ARG B 1 26 ? -6.021 0.768 -5.834 1.00 0.00 ? 26 ARG B N 9 ATOM 12488 C CA . ARG B 1 26 ? -7.184 0.038 -6.327 1.00 0.00 ? 26 ARG B CA 9 ATOM 12489 C C . ARG B 1 26 ? -8.239 -0.103 -5.234 1.00 0.00 ? 26 ARG B C 9 ATOM 12490 O O . ARG B 1 26 ? -9.439 0.009 -5.495 1.00 0.00 ? 26 ARG B O 9 ATOM 12491 C CB . ARG B 1 26 ? -6.769 -1.345 -6.833 1.00 0.00 ? 26 ARG B CB 9 ATOM 12492 C CG . ARG B 1 26 ? -7.942 -2.229 -7.221 1.00 0.00 ? 26 ARG B CG 9 ATOM 12493 C CD . ARG B 1 26 ? -7.500 -3.660 -7.478 1.00 0.00 ? 26 ARG B CD 9 ATOM 12494 N NE . ARG B 1 26 ? -7.751 -4.070 -8.858 1.00 0.00 ? 26 ARG B NE 9 ATOM 12495 C CZ . ARG B 1 26 ? -7.129 -5.085 -9.448 1.00 0.00 ? 26 ARG B CZ 9 ATOM 12496 N NH1 . ARG B 1 26 ? -6.223 -5.788 -8.782 1.00 0.00 ? 26 ARG B NH1 9 ATOM 12497 N NH2 . ARG B 1 26 ? -7.412 -5.398 -10.706 1.00 0.00 ? 26 ARG B NH2 9 ATOM 12498 H H . ARG B 1 26 ? -5.160 0.298 -5.751 1.00 0.00 ? 26 ARG B H 9 ATOM 12499 H HA . ARG B 1 26 ? -7.604 0.600 -7.148 1.00 0.00 ? 26 ARG B HA 9 ATOM 12500 H HB2 . ARG B 1 26 ? -6.135 -1.223 -7.700 1.00 0.00 ? 26 ARG B HB2 9 ATOM 12501 H HB3 . ARG B 1 26 ? -6.209 -1.846 -6.057 1.00 0.00 ? 26 ARG B HB3 9 ATOM 12502 H HG2 . ARG B 1 26 ? -8.664 -2.225 -6.418 1.00 0.00 ? 26 ARG B HG2 9 ATOM 12503 H HG3 . ARG B 1 26 ? -8.396 -1.833 -8.118 1.00 0.00 ? 26 ARG B HG3 9 ATOM 12504 H HD2 . ARG B 1 26 ? -6.443 -3.738 -7.278 1.00 0.00 ? 26 ARG B HD2 9 ATOM 12505 H HD3 . ARG B 1 26 ? -8.043 -4.316 -6.813 1.00 0.00 ? 26 ARG B HD3 9 ATOM 12506 H HE . ARG B 1 26 ? -8.417 -3.564 -9.368 1.00 0.00 ? 26 ARG B HE 9 ATOM 12507 H HH11 . ARG B 1 26 ? -6.008 -5.555 -7.834 1.00 0.00 ? 26 ARG B HH11 9 ATOM 12508 H HH12 . ARG B 1 26 ? -5.755 -6.552 -9.229 1.00 0.00 ? 26 ARG B HH12 9 ATOM 12509 H HH21 . ARG B 1 26 ? -8.095 -4.869 -11.210 1.00 0.00 ? 26 ARG B HH21 9 ATOM 12510 H HH22 . ARG B 1 26 ? -6.942 -6.161 -11.148 1.00 0.00 ? 26 ARG B HH22 9 ATOM 12511 N N . HIS B 1 27 ? -7.783 -0.345 -4.010 1.00 0.00 ? 27 HIS B N 9 ATOM 12512 C CA . HIS B 1 27 ? -8.684 -0.500 -2.876 1.00 0.00 ? 27 HIS B CA 9 ATOM 12513 C C . HIS B 1 27 ? -9.292 0.839 -2.471 1.00 0.00 ? 27 HIS B C 9 ATOM 12514 O O . HIS B 1 27 ? -10.322 0.880 -1.802 1.00 0.00 ? 27 HIS B O 9 ATOM 12515 C CB . HIS B 1 27 ? -7.940 -1.117 -1.690 1.00 0.00 ? 27 HIS B CB 9 ATOM 12516 C CG . HIS B 1 27 ? -8.083 -2.605 -1.606 1.00 0.00 ? 27 HIS B CG 9 ATOM 12517 N ND1 . HIS B 1 27 ? -9.296 -3.235 -1.414 1.00 0.00 ? 27 HIS B ND1 9 ATOM 12518 C CD2 . HIS B 1 27 ? -7.159 -3.591 -1.691 1.00 0.00 ? 27 HIS B CD2 9 ATOM 12519 C CE1 . HIS B 1 27 ? -9.111 -4.543 -1.383 1.00 0.00 ? 27 HIS B CE1 9 ATOM 12520 N NE2 . HIS B 1 27 ? -7.824 -4.784 -1.551 1.00 0.00 ? 27 HIS B NE2 9 ATOM 12521 H H . HIS B 1 27 ? -6.820 -0.419 -3.867 1.00 0.00 ? 27 HIS B H 9 ATOM 12522 H HA . HIS B 1 27 ? -9.479 -1.166 -3.174 1.00 0.00 ? 27 HIS B HA 9 ATOM 12523 H HB2 . HIS B 1 27 ? -6.888 -0.889 -1.774 1.00 0.00 ? 27 HIS B HB2 9 ATOM 12524 H HB3 . HIS B 1 27 ? -8.323 -0.692 -0.774 1.00 0.00 ? 27 HIS B HB3 9 ATOM 12525 H HD1 . HIS B 1 27 ? -10.163 -2.789 -1.313 1.00 0.00 ? 27 HIS B HD1 9 ATOM 12526 H HD2 . HIS B 1 27 ? -6.097 -3.463 -1.842 1.00 0.00 ? 27 HIS B HD2 9 ATOM 12527 H HE1 . HIS B 1 27 ? -9.882 -5.287 -1.247 1.00 0.00 ? 27 HIS B HE1 9 ATOM 12528 H HE2 . HIS B 1 27 ? -7.412 -5.673 -1.570 1.00 0.00 ? 27 HIS B HE2 9 ATOM 12529 N N . LYS B 1 28 ? -8.654 1.932 -2.882 1.00 0.00 ? 28 LYS B N 9 ATOM 12530 C CA . LYS B 1 28 ? -9.146 3.267 -2.561 1.00 0.00 ? 28 LYS B CA 9 ATOM 12531 C C . LYS B 1 28 ? -10.293 3.650 -3.485 1.00 0.00 ? 28 LYS B C 9 ATOM 12532 O O . LYS B 1 28 ? -11.247 4.305 -3.068 1.00 0.00 ? 28 LYS B O 9 ATOM 12533 C CB . LYS B 1 28 ? -8.020 4.297 -2.674 1.00 0.00 ? 28 LYS B CB 9 ATOM 12534 C CG . LYS B 1 28 ? -8.285 5.574 -1.893 1.00 0.00 ? 28 LYS B CG 9 ATOM 12535 C CD . LYS B 1 28 ? -8.555 6.748 -2.821 1.00 0.00 ? 28 LYS B CD 9 ATOM 12536 C CE . LYS B 1 28 ? -7.264 7.347 -3.352 1.00 0.00 ? 28 LYS B CE 9 ATOM 12537 N NZ . LYS B 1 28 ? -7.272 8.835 -3.283 1.00 0.00 ? 28 LYS B NZ 9 ATOM 12538 H H . LYS B 1 28 ? -7.839 1.842 -3.417 1.00 0.00 ? 28 LYS B H 9 ATOM 12539 H HA . LYS B 1 28 ? -9.510 3.249 -1.545 1.00 0.00 ? 28 LYS B HA 9 ATOM 12540 H HB2 . LYS B 1 28 ? -7.107 3.858 -2.304 1.00 0.00 ? 28 LYS B HB2 9 ATOM 12541 H HB3 . LYS B 1 28 ? -7.890 4.557 -3.713 1.00 0.00 ? 28 LYS B HB3 9 ATOM 12542 H HG2 . LYS B 1 28 ? -9.146 5.425 -1.259 1.00 0.00 ? 28 LYS B HG2 9 ATOM 12543 H HG3 . LYS B 1 28 ? -7.421 5.798 -1.286 1.00 0.00 ? 28 LYS B HG3 9 ATOM 12544 H HD2 . LYS B 1 28 ? -9.150 6.406 -3.655 1.00 0.00 ? 28 LYS B HD2 9 ATOM 12545 H HD3 . LYS B 1 28 ? -9.098 7.507 -2.277 1.00 0.00 ? 28 LYS B HD3 9 ATOM 12546 H HE2 . LYS B 1 28 ? -6.439 6.974 -2.762 1.00 0.00 ? 28 LYS B HE2 9 ATOM 12547 H HE3 . LYS B 1 28 ? -7.136 7.044 -4.380 1.00 0.00 ? 28 LYS B HE3 9 ATOM 12548 H HZ1 . LYS B 1 28 ? -8.077 9.162 -2.710 1.00 0.00 ? 28 LYS B HZ1 9 ATOM 12549 H HZ2 . LYS B 1 28 ? -6.390 9.178 -2.851 1.00 0.00 ? 28 LYS B HZ2 9 ATOM 12550 H HZ3 . LYS B 1 28 ? -7.356 9.237 -4.238 1.00 0.00 ? 28 LYS B HZ3 9 ATOM 12551 N N . GLN B 1 29 ? -10.196 3.232 -4.742 1.00 0.00 ? 29 GLN B N 9 ATOM 12552 C CA . GLN B 1 29 ? -11.231 3.526 -5.724 1.00 0.00 ? 29 GLN B CA 9 ATOM 12553 C C . GLN B 1 29 ? -12.448 2.637 -5.498 1.00 0.00 ? 29 GLN B C 9 ATOM 12554 O O . GLN B 1 29 ? -13.576 3.020 -5.808 1.00 0.00 ? 29 GLN B O 9 ATOM 12555 C CB . GLN B 1 29 ? -10.693 3.328 -7.141 1.00 0.00 ? 29 GLN B CB 9 ATOM 12556 C CG . GLN B 1 29 ? -11.595 3.906 -8.220 1.00 0.00 ? 29 GLN B CG 9 ATOM 12557 C CD . GLN B 1 29 ? -11.550 3.107 -9.507 1.00 0.00 ? 29 GLN B CD 9 ATOM 12558 O OE1 . GLN B 1 29 ? -10.507 2.572 -9.884 1.00 0.00 ? 29 GLN B OE1 9 ATOM 12559 N NE2 . GLN B 1 29 ? -12.686 3.021 -10.190 1.00 0.00 ? 29 GLN B NE2 9 ATOM 12560 H H . GLN B 1 29 ? -9.411 2.710 -5.015 1.00 0.00 ? 29 GLN B H 9 ATOM 12561 H HA . GLN B 1 29 ? -11.524 4.557 -5.597 1.00 0.00 ? 29 GLN B HA 9 ATOM 12562 H HB2 . GLN B 1 29 ? -9.727 3.803 -7.218 1.00 0.00 ? 29 GLN B HB2 9 ATOM 12563 H HB3 . GLN B 1 29 ? -10.579 2.270 -7.327 1.00 0.00 ? 29 GLN B HB3 9 ATOM 12564 H HG2 . GLN B 1 29 ? -12.612 3.914 -7.855 1.00 0.00 ? 29 GLN B HG2 9 ATOM 12565 H HG3 . GLN B 1 29 ? -11.280 4.918 -8.430 1.00 0.00 ? 29 GLN B HG3 9 ATOM 12566 H HE21 . GLN B 1 29 ? -13.478 3.472 -9.831 1.00 0.00 ? 29 GLN B HE21 9 ATOM 12567 H HE22 . GLN B 1 29 ? -12.685 2.510 -11.026 1.00 0.00 ? 29 GLN B HE22 9 ATOM 12568 N N . SER B 1 30 ? -12.211 1.449 -4.951 1.00 0.00 ? 30 SER B N 9 ATOM 12569 C CA . SER B 1 30 ? -13.288 0.505 -4.679 1.00 0.00 ? 30 SER B CA 9 ATOM 12570 C C . SER B 1 30 ? -14.050 0.898 -3.417 1.00 0.00 ? 30 SER B C 9 ATOM 12571 O O . SER B 1 30 ? -15.278 0.827 -3.375 1.00 0.00 ? 30 SER B O 9 ATOM 12572 C CB . SER B 1 30 ? -12.728 -0.911 -4.531 1.00 0.00 ? 30 SER B CB 9 ATOM 12573 O OG . SER B 1 30 ? -13.745 -1.883 -4.706 1.00 0.00 ? 30 SER B OG 9 ATOM 12574 H H . SER B 1 30 ? -11.288 1.201 -4.725 1.00 0.00 ? 30 SER B H 9 ATOM 12575 H HA . SER B 1 30 ? -13.967 0.527 -5.517 1.00 0.00 ? 30 SER B HA 9 ATOM 12576 H HB2 . SER B 1 30 ? -11.963 -1.074 -5.274 1.00 0.00 ? 30 SER B HB2 9 ATOM 12577 H HB3 . SER B 1 30 ? -12.303 -1.027 -3.545 1.00 0.00 ? 30 SER B HB3 9 ATOM 12578 H HG . SER B 1 30 ? -13.349 -2.719 -4.959 1.00 0.00 ? 30 SER B HG 9 ATOM 12579 N N . ILE B 1 31 ? -13.314 1.314 -2.390 1.00 0.00 ? 31 ILE B N 9 ATOM 12580 C CA . ILE B 1 31 ? -13.922 1.719 -1.128 1.00 0.00 ? 31 ILE B CA 9 ATOM 12581 C C . ILE B 1 31 ? -14.556 3.100 -1.247 1.00 0.00 ? 31 ILE B C 9 ATOM 12582 O O . ILE B 1 31 ? -15.511 3.420 -0.538 1.00 0.00 ? 31 ILE B O 9 ATOM 12583 C CB . ILE B 1 31 ? -12.882 1.726 0.009 1.00 0.00 ? 31 ILE B CB 9 ATOM 12584 C CG1 . ILE B 1 31 ? -13.514 2.169 1.327 1.00 0.00 ? 31 ILE B CG1 9 ATOM 12585 C CG2 . ILE B 1 31 ? -11.713 2.633 -0.345 1.00 0.00 ? 31 ILE B CG2 9 ATOM 12586 C CD1 . ILE B 1 31 ? -14.411 1.124 1.950 1.00 0.00 ? 31 ILE B CD1 9 ATOM 12587 H H . ILE B 1 31 ? -12.338 1.349 -2.482 1.00 0.00 ? 31 ILE B H 9 ATOM 12588 H HA . ILE B 1 31 ? -14.690 1.001 -0.882 1.00 0.00 ? 31 ILE B HA 9 ATOM 12589 H HB . ILE B 1 31 ? -12.508 0.720 0.120 1.00 0.00 ? 31 ILE B HB 9 ATOM 12590 H HG12 . ILE B 1 31 ? -12.727 2.390 2.035 1.00 0.00 ? 31 ILE B HG12 9 ATOM 12591 H HG13 . ILE B 1 31 ? -14.103 3.058 1.158 1.00 0.00 ? 31 ILE B HG13 9 ATOM 12592 H HG21 . ILE B 1 31 ? -11.722 2.839 -1.405 1.00 0.00 ? 31 ILE B HG21 9 ATOM 12593 H HG22 . ILE B 1 31 ? -11.799 3.560 0.202 1.00 0.00 ? 31 ILE B HG22 9 ATOM 12594 H HG23 . ILE B 1 31 ? -10.786 2.145 -0.082 1.00 0.00 ? 31 ILE B HG23 9 ATOM 12595 H HD11 . ILE B 1 31 ? -15.112 0.764 1.211 1.00 0.00 ? 31 ILE B HD11 9 ATOM 12596 H HD12 . ILE B 1 31 ? -13.809 0.301 2.307 1.00 0.00 ? 31 ILE B HD12 9 ATOM 12597 H HD13 . ILE B 1 31 ? -14.952 1.560 2.777 1.00 0.00 ? 31 ILE B HD13 9 ATOM 12598 N N . LYS B 1 32 ? -14.026 3.911 -2.157 1.00 0.00 ? 32 LYS B N 9 ATOM 12599 C CA . LYS B 1 32 ? -14.547 5.254 -2.376 1.00 0.00 ? 32 LYS B CA 9 ATOM 12600 C C . LYS B 1 32 ? -15.761 5.213 -3.296 1.00 0.00 ? 32 LYS B C 9 ATOM 12601 O O . LYS B 1 32 ? -16.678 6.024 -3.167 1.00 0.00 ? 32 LYS B O 9 ATOM 12602 C CB . LYS B 1 32 ? -13.464 6.154 -2.977 1.00 0.00 ? 32 LYS B CB 9 ATOM 12603 C CG . LYS B 1 32 ? -13.968 7.534 -3.368 1.00 0.00 ? 32 LYS B CG 9 ATOM 12604 C CD . LYS B 1 32 ? -13.223 8.630 -2.624 1.00 0.00 ? 32 LYS B CD 9 ATOM 12605 C CE . LYS B 1 32 ? -13.433 8.527 -1.122 1.00 0.00 ? 32 LYS B CE 9 ATOM 12606 N NZ . LYS B 1 32 ? -12.199 8.865 -0.362 1.00 0.00 ? 32 LYS B NZ 9 ATOM 12607 H H . LYS B 1 32 ? -13.273 3.595 -2.699 1.00 0.00 ? 32 LYS B H 9 ATOM 12608 H HA . LYS B 1 32 ? -14.848 5.654 -1.420 1.00 0.00 ? 32 LYS B HA 9 ATOM 12609 H HB2 . LYS B 1 32 ? -12.671 6.275 -2.254 1.00 0.00 ? 32 LYS B HB2 9 ATOM 12610 H HB3 . LYS B 1 32 ? -13.064 5.677 -3.859 1.00 0.00 ? 32 LYS B HB3 9 ATOM 12611 H HG2 . LYS B 1 32 ? -13.825 7.672 -4.428 1.00 0.00 ? 32 LYS B HG2 9 ATOM 12612 H HG3 . LYS B 1 32 ? -15.020 7.602 -3.131 1.00 0.00 ? 32 LYS B HG3 9 ATOM 12613 H HD2 . LYS B 1 32 ? -12.167 8.543 -2.835 1.00 0.00 ? 32 LYS B HD2 9 ATOM 12614 H HD3 . LYS B 1 32 ? -13.582 9.591 -2.964 1.00 0.00 ? 32 LYS B HD3 9 ATOM 12615 H HE2 . LYS B 1 32 ? -14.220 9.208 -0.834 1.00 0.00 ? 32 LYS B HE2 9 ATOM 12616 H HE3 . LYS B 1 32 ? -13.729 7.516 -0.881 1.00 0.00 ? 32 LYS B HE3 9 ATOM 12617 H HZ1 . LYS B 1 32 ? -11.356 8.616 -0.920 1.00 0.00 ? 32 LYS B HZ1 9 ATOM 12618 H HZ2 . LYS B 1 32 ? -12.175 9.885 -0.155 1.00 0.00 ? 32 LYS B HZ2 9 ATOM 12619 H HZ3 . LYS B 1 32 ? -12.175 8.340 0.535 1.00 0.00 ? 32 LYS B HZ3 9 ATOM 12620 N N . LYS B 1 33 ? -15.761 4.258 -4.221 1.00 0.00 ? 33 LYS B N 9 ATOM 12621 C CA . LYS B 1 33 ? -16.866 4.104 -5.157 1.00 0.00 ? 33 LYS B CA 9 ATOM 12622 C C . LYS B 1 33 ? -18.053 3.438 -4.473 1.00 0.00 ? 33 LYS B C 9 ATOM 12623 O O . LYS B 1 33 ? -19.208 3.718 -4.795 1.00 0.00 ? 33 LYS B O 9 ATOM 12624 C CB . LYS B 1 33 ? -16.427 3.280 -6.368 1.00 0.00 ? 33 LYS B CB 9 ATOM 12625 C CG . LYS B 1 33 ? -17.567 2.933 -7.313 1.00 0.00 ? 33 LYS B CG 9 ATOM 12626 C CD . LYS B 1 33 ? -17.147 1.884 -8.331 1.00 0.00 ? 33 LYS B CD 9 ATOM 12627 C CE . LYS B 1 33 ? -18.250 1.614 -9.340 1.00 0.00 ? 33 LYS B CE 9 ATOM 12628 N NZ . LYS B 1 33 ? -18.648 0.179 -9.358 1.00 0.00 ? 33 LYS B NZ 9 ATOM 12629 H H . LYS B 1 33 ? -15.003 3.639 -4.269 1.00 0.00 ? 33 LYS B H 9 ATOM 12630 H HA . LYS B 1 33 ? -17.161 5.088 -5.487 1.00 0.00 ? 33 LYS B HA 9 ATOM 12631 H HB2 . LYS B 1 33 ? -15.687 3.840 -6.921 1.00 0.00 ? 33 LYS B HB2 9 ATOM 12632 H HB3 . LYS B 1 33 ? -15.983 2.359 -6.021 1.00 0.00 ? 33 LYS B HB3 9 ATOM 12633 H HG2 . LYS B 1 33 ? -18.394 2.549 -6.737 1.00 0.00 ? 33 LYS B HG2 9 ATOM 12634 H HG3 . LYS B 1 33 ? -17.873 3.827 -7.836 1.00 0.00 ? 33 LYS B HG3 9 ATOM 12635 H HD2 . LYS B 1 33 ? -16.272 2.237 -8.856 1.00 0.00 ? 33 LYS B HD2 9 ATOM 12636 H HD3 . LYS B 1 33 ? -16.912 0.967 -7.812 1.00 0.00 ? 33 LYS B HD3 9 ATOM 12637 H HE2 . LYS B 1 33 ? -19.112 2.213 -9.081 1.00 0.00 ? 33 LYS B HE2 9 ATOM 12638 H HE3 . LYS B 1 33 ? -17.900 1.895 -10.322 1.00 0.00 ? 33 LYS B HE3 9 ATOM 12639 H HZ1 . LYS B 1 33 ? -17.983 -0.382 -8.787 1.00 0.00 ? 33 LYS B HZ1 9 ATOM 12640 H HZ2 . LYS B 1 33 ? -19.604 0.067 -8.967 1.00 0.00 ? 33 LYS B HZ2 9 ATOM 12641 H HZ3 . LYS B 1 33 ? -18.640 -0.182 -10.334 1.00 0.00 ? 33 LYS B HZ3 9 ATOM 12642 N N . LEU B 1 34 ? -17.759 2.557 -3.522 1.00 0.00 ? 34 LEU B N 9 ATOM 12643 C CA . LEU B 1 34 ? -18.802 1.855 -2.786 1.00 0.00 ? 34 LEU B CA 9 ATOM 12644 C C . LEU B 1 34 ? -19.471 2.791 -1.785 1.00 0.00 ? 34 LEU B C 9 ATOM 12645 O O . LEU B 1 34 ? -20.689 2.764 -1.613 1.00 0.00 ? 34 LEU B O 9 ATOM 12646 C CB . LEU B 1 34 ? -18.219 0.640 -2.061 1.00 0.00 ? 34 LEU B CB 9 ATOM 12647 C CG . LEU B 1 34 ? -18.889 -0.694 -2.395 1.00 0.00 ? 34 LEU B CG 9 ATOM 12648 C CD1 . LEU B 1 34 ? -18.010 -1.856 -1.962 1.00 0.00 ? 34 LEU B CD1 9 ATOM 12649 C CD2 . LEU B 1 34 ? -20.257 -0.783 -1.734 1.00 0.00 ? 34 LEU B CD2 9 ATOM 12650 H H . LEU B 1 34 ? -16.820 2.380 -3.307 1.00 0.00 ? 34 LEU B H 9 ATOM 12651 H HA . LEU B 1 34 ? -19.542 1.520 -3.497 1.00 0.00 ? 34 LEU B HA 9 ATOM 12652 H HB2 . LEU B 1 34 ? -17.172 0.566 -2.312 1.00 0.00 ? 34 LEU B HB2 9 ATOM 12653 H HB3 . LEU B 1 34 ? -18.306 0.805 -0.997 1.00 0.00 ? 34 LEU B HB3 9 ATOM 12654 H HG . LEU B 1 34 ? -19.029 -0.762 -3.464 1.00 0.00 ? 34 LEU B HG 9 ATOM 12655 H HD11 . LEU B 1 34 ? -17.751 -1.743 -0.920 1.00 0.00 ? 34 LEU B HD11 9 ATOM 12656 H HD12 . LEU B 1 34 ? -18.545 -2.784 -2.101 1.00 0.00 ? 34 LEU B HD12 9 ATOM 12657 H HD13 . LEU B 1 34 ? -17.109 -1.866 -2.557 1.00 0.00 ? 34 LEU B HD13 9 ATOM 12658 H HD21 . LEU B 1 34 ? -20.750 0.176 -1.797 1.00 0.00 ? 34 LEU B HD21 9 ATOM 12659 H HD22 . LEU B 1 34 ? -20.853 -1.529 -2.239 1.00 0.00 ? 34 LEU B HD22 9 ATOM 12660 H HD23 . LEU B 1 34 ? -20.138 -1.058 -0.697 1.00 0.00 ? 34 LEU B HD23 9 ATOM 12661 N N . LYS B 1 35 ? -18.666 3.624 -1.130 1.00 0.00 ? 35 LYS B N 9 ATOM 12662 C CA . LYS B 1 35 ? -19.185 4.572 -0.153 1.00 0.00 ? 35 LYS B CA 9 ATOM 12663 C C . LYS B 1 35 ? -20.008 5.655 -0.842 1.00 0.00 ? 35 LYS B C 9 ATOM 12664 O O . LYS B 1 35 ? -21.014 6.119 -0.307 1.00 0.00 ? 35 LYS B O 9 ATOM 12665 C CB . LYS B 1 35 ? -18.039 5.206 0.637 1.00 0.00 ? 35 LYS B CB 9 ATOM 12666 C CG . LYS B 1 35 ? -18.191 5.072 2.143 1.00 0.00 ? 35 LYS B CG 9 ATOM 12667 C CD . LYS B 1 35 ? -18.356 6.428 2.810 1.00 0.00 ? 35 LYS B CD 9 ATOM 12668 C CE . LYS B 1 35 ? -17.059 7.221 2.786 1.00 0.00 ? 35 LYS B CE 9 ATOM 12669 N NZ . LYS B 1 35 ? -17.230 8.543 2.121 1.00 0.00 ? 35 LYS B NZ 9 ATOM 12670 H H . LYS B 1 35 ? -17.701 3.602 -1.313 1.00 0.00 ? 35 LYS B H 9 ATOM 12671 H HA . LYS B 1 35 ? -19.825 4.030 0.526 1.00 0.00 ? 35 LYS B HA 9 ATOM 12672 H HB2 . LYS B 1 35 ? -17.112 4.734 0.346 1.00 0.00 ? 35 LYS B HB2 9 ATOM 12673 H HB3 . LYS B 1 35 ? -17.988 6.257 0.394 1.00 0.00 ? 35 LYS B HB3 9 ATOM 12674 H HG2 . LYS B 1 35 ? -19.063 4.469 2.355 1.00 0.00 ? 35 LYS B HG2 9 ATOM 12675 H HG3 . LYS B 1 35 ? -17.312 4.588 2.542 1.00 0.00 ? 35 LYS B HG3 9 ATOM 12676 H HD2 . LYS B 1 35 ? -19.117 6.986 2.285 1.00 0.00 ? 35 LYS B HD2 9 ATOM 12677 H HD3 . LYS B 1 35 ? -18.657 6.279 3.837 1.00 0.00 ? 35 LYS B HD3 9 ATOM 12678 H HE2 . LYS B 1 35 ? -16.730 7.379 3.801 1.00 0.00 ? 35 LYS B HE2 9 ATOM 12679 H HE3 . LYS B 1 35 ? -16.314 6.651 2.251 1.00 0.00 ? 35 LYS B HE3 9 ATOM 12680 H HZ1 . LYS B 1 35 ? -18.080 8.535 1.523 1.00 0.00 ? 35 LYS B HZ1 9 ATOM 12681 H HZ2 . LYS B 1 35 ? -17.327 9.292 2.834 1.00 0.00 ? 35 LYS B HZ2 9 ATOM 12682 H HZ3 . LYS B 1 35 ? -16.403 8.752 1.525 1.00 0.00 ? 35 LYS B HZ3 9 ATOM 12683 N N . GLN B 1 36 ? -19.575 6.048 -2.036 1.00 0.00 ? 36 GLN B N 9 ATOM 12684 C CA . GLN B 1 36 ? -20.278 7.070 -2.801 1.00 0.00 ? 36 GLN B CA 9 ATOM 12685 C C . GLN B 1 36 ? -21.576 6.512 -3.370 1.00 0.00 ? 36 GLN B C 9 ATOM 12686 O O . GLN B 1 36 ? -22.542 7.245 -3.578 1.00 0.00 ? 36 GLN B O 9 ATOM 12687 C CB . GLN B 1 36 ? -19.391 7.593 -3.933 1.00 0.00 ? 36 GLN B CB 9 ATOM 12688 C CG . GLN B 1 36 ? -20.109 8.543 -4.879 1.00 0.00 ? 36 GLN B CG 9 ATOM 12689 C CD . GLN B 1 36 ? -20.085 8.062 -6.317 1.00 0.00 ? 36 GLN B CD 9 ATOM 12690 O OE1 . GLN B 1 36 ? -19.434 8.661 -7.172 1.00 0.00 ? 36 GLN B OE1 9 ATOM 12691 N NE2 . GLN B 1 36 ? -20.796 6.974 -6.589 1.00 0.00 ? 36 GLN B NE2 9 ATOM 12692 H H . GLN B 1 36 ? -18.769 5.637 -2.414 1.00 0.00 ? 36 GLN B H 9 ATOM 12693 H HA . GLN B 1 36 ? -20.513 7.884 -2.131 1.00 0.00 ? 36 GLN B HA 9 ATOM 12694 H HB2 . GLN B 1 36 ? -18.549 8.115 -3.503 1.00 0.00 ? 36 GLN B HB2 9 ATOM 12695 H HB3 . GLN B 1 36 ? -19.028 6.754 -4.508 1.00 0.00 ? 36 GLN B HB3 9 ATOM 12696 H HG2 . GLN B 1 36 ? -21.137 8.635 -4.564 1.00 0.00 ? 36 GLN B HG2 9 ATOM 12697 H HG3 . GLN B 1 36 ? -19.629 9.509 -4.829 1.00 0.00 ? 36 GLN B HG3 9 ATOM 12698 H HE21 . GLN B 1 36 ? -21.290 6.549 -5.857 1.00 0.00 ? 36 GLN B HE21 9 ATOM 12699 H HE22 . GLN B 1 36 ? -20.798 6.641 -7.510 1.00 0.00 ? 36 GLN B HE22 9 ATOM 12700 N N . SER B 1 37 ? -21.591 5.205 -3.612 1.00 0.00 ? 37 SER B N 9 ATOM 12701 C CA . SER B 1 37 ? -22.771 4.542 -4.150 1.00 0.00 ? 37 SER B CA 9 ATOM 12702 C C . SER B 1 37 ? -23.900 4.544 -3.126 1.00 0.00 ? 37 SER B C 9 ATOM 12703 O O . SER B 1 37 ? -25.078 4.559 -3.485 1.00 0.00 ? 37 SER B O 9 ATOM 12704 C CB . SER B 1 37 ? -22.436 3.106 -4.556 1.00 0.00 ? 37 SER B CB 9 ATOM 12705 O OG . SER B 1 37 ? -22.015 3.042 -5.908 1.00 0.00 ? 37 SER B OG 9 ATOM 12706 H H . SER B 1 37 ? -20.790 4.673 -3.420 1.00 0.00 ? 37 SER B H 9 ATOM 12707 H HA . SER B 1 37 ? -23.092 5.089 -5.024 1.00 0.00 ? 37 SER B HA 9 ATOM 12708 H HB2 . SER B 1 37 ? -21.642 2.732 -3.928 1.00 0.00 ? 37 SER B HB2 9 ATOM 12709 H HB3 . SER B 1 37 ? -23.313 2.486 -4.435 1.00 0.00 ? 37 SER B HB3 9 ATOM 12710 H HG . SER B 1 37 ? -22.509 2.357 -6.365 1.00 0.00 ? 37 SER B HG 9 ATOM 12711 N N . GLU B 1 38 ? -23.531 4.536 -1.848 1.00 0.00 ? 38 GLU B N 9 ATOM 12712 C CA . GLU B 1 38 ? -24.514 4.541 -0.772 1.00 0.00 ? 38 GLU B CA 9 ATOM 12713 C C . GLU B 1 38 ? -25.363 5.806 -0.822 1.00 0.00 ? 38 GLU B C 9 ATOM 12714 O O . GLU B 1 38 ? -26.537 5.794 -0.452 1.00 0.00 ? 38 GLU B O 9 ATOM 12715 C CB . GLU B 1 38 ? -23.816 4.435 0.585 1.00 0.00 ? 38 GLU B CB 9 ATOM 12716 C CG . GLU B 1 38 ? -24.693 3.843 1.677 1.00 0.00 ? 38 GLU B CG 9 ATOM 12717 C CD . GLU B 1 38 ? -25.969 4.633 1.892 1.00 0.00 ? 38 GLU B CD 9 ATOM 12718 O OE1 . GLU B 1 38 ? -25.876 5.858 2.117 1.00 0.00 ? 38 GLU B OE1 9 ATOM 12719 O OE2 . GLU B 1 38 ? -27.059 4.028 1.837 1.00 0.00 ? 38 GLU B OE2 9 ATOM 12720 H H . GLU B 1 38 ? -22.577 4.528 -1.624 1.00 0.00 ? 38 GLU B H 9 ATOM 12721 H HA . GLU B 1 38 ? -25.157 3.685 -0.904 1.00 0.00 ? 38 GLU B HA 9 ATOM 12722 H HB2 . GLU B 1 38 ? -22.940 3.811 0.479 1.00 0.00 ? 38 GLU B HB2 9 ATOM 12723 H HB3 . GLU B 1 38 ? -23.508 5.421 0.898 1.00 0.00 ? 38 GLU B HB3 9 ATOM 12724 H HG2 . GLU B 1 38 ? -24.957 2.833 1.400 1.00 0.00 ? 38 GLU B HG2 9 ATOM 12725 H HG3 . GLU B 1 38 ? -24.135 3.828 2.601 1.00 0.00 ? 38 GLU B HG3 9 ATOM 12726 N N . ASP B 1 39 ? -24.761 6.898 -1.283 1.00 0.00 ? 39 ASP B N 9 ATOM 12727 C CA . ASP B 1 39 ? -25.462 8.173 -1.385 1.00 0.00 ? 39 ASP B CA 9 ATOM 12728 C C . ASP B 1 39 ? -26.478 8.147 -2.523 1.00 0.00 ? 39 ASP B C 9 ATOM 12729 O O . ASP B 1 39 ? -27.459 8.891 -2.509 1.00 0.00 ? 39 ASP B O 9 ATOM 12730 C CB . ASP B 1 39 ? -24.464 9.312 -1.604 1.00 0.00 ? 39 ASP B CB 9 ATOM 12731 C CG . ASP B 1 39 ? -24.550 10.372 -0.523 1.00 0.00 ? 39 ASP B CG 9 ATOM 12732 O OD1 . ASP B 1 39 ? -23.954 10.170 0.556 1.00 0.00 ? 39 ASP B OD1 9 ATOM 12733 O OD2 . ASP B 1 39 ? -25.213 11.404 -0.757 1.00 0.00 ? 39 ASP B OD2 9 ATOM 12734 H H . ASP B 1 39 ? -23.822 6.845 -1.564 1.00 0.00 ? 39 ASP B H 9 ATOM 12735 H HA . ASP B 1 39 ? -25.985 8.338 -0.455 1.00 0.00 ? 39 ASP B HA 9 ATOM 12736 H HB2 . ASP B 1 39 ? -23.462 8.909 -1.607 1.00 0.00 ? 39 ASP B HB2 9 ATOM 12737 H HB3 . ASP B 1 39 ? -24.663 9.778 -2.558 1.00 0.00 ? 39 ASP B HB3 9 ATOM 12738 N N . ASP B 1 40 ? -26.237 7.284 -3.506 1.00 0.00 ? 40 ASP B N 9 ATOM 12739 C CA . ASP B 1 40 ? -27.132 7.160 -4.651 1.00 0.00 ? 40 ASP B CA 9 ATOM 12740 C C . ASP B 1 40 ? -27.036 8.387 -5.552 1.00 0.00 ? 40 ASP B C 9 ATOM 12741 O O . ASP B 1 40 ? -27.485 9.474 -5.188 1.00 0.00 ? 40 ASP B O 9 ATOM 12742 C CB . ASP B 1 40 ? -28.576 6.969 -4.183 1.00 0.00 ? 40 ASP B CB 9 ATOM 12743 C CG . ASP B 1 40 ? -29.247 5.782 -4.844 1.00 0.00 ? 40 ASP B CG 9 ATOM 12744 O OD1 . ASP B 1 40 ? -29.033 5.581 -6.058 1.00 0.00 ? 40 ASP B OD1 9 ATOM 12745 O OD2 . ASP B 1 40 ? -29.986 5.054 -4.150 1.00 0.00 ? 40 ASP B OD2 9 ATOM 12746 H H . ASP B 1 40 ? -25.439 6.718 -3.461 1.00 0.00 ? 40 ASP B H 9 ATOM 12747 H HA . ASP B 1 40 ? -26.828 6.291 -5.215 1.00 0.00 ? 40 ASP B HA 9 ATOM 12748 H HB2 . ASP B 1 40 ? -28.583 6.813 -3.114 1.00 0.00 ? 40 ASP B HB2 9 ATOM 12749 H HB3 . ASP B 1 40 ? -29.143 7.858 -4.415 1.00 0.00 ? 40 ASP B HB3 9 ATOM 12750 N N . ASP B 1 41 ? -26.447 8.205 -6.731 1.00 0.00 ? 41 ASP B N 9 ATOM 12751 C CA . ASP B 1 41 ? -26.292 9.297 -7.685 1.00 0.00 ? 41 ASP B CA 9 ATOM 12752 C C . ASP B 1 41 ? -25.672 10.520 -7.018 1.00 0.00 ? 41 ASP B C 9 ATOM 12753 O O . ASP B 1 41 ? -25.120 10.371 -5.908 1.00 0.00 ? 41 ASP B O 9 ATOM 12754 C CB . ASP B 1 41 ? -27.646 9.665 -8.294 1.00 0.00 ? 41 ASP B CB 9 ATOM 12755 C CG . ASP B 1 41 ? -27.540 10.026 -9.763 1.00 0.00 ? 41 ASP B CG 9 ATOM 12756 O OD1 . ASP B 1 41 ? -27.304 9.114 -10.583 1.00 0.00 ? 41 ASP B OD1 9 ATOM 12757 O OD2 . ASP B 1 41 ? -27.691 11.222 -10.094 1.00 0.00 ? 41 ASP B OD2 9 ATOM 12758 O OXT . ASP B 1 41 ? -25.745 11.617 -7.610 1.00 0.00 ? 41 ASP B OXT 9 ATOM 12759 H H . ASP B 1 41 ? -26.109 7.315 -6.964 1.00 0.00 ? 41 ASP B H 9 ATOM 12760 H HA . ASP B 1 41 ? -25.634 8.959 -8.471 1.00 0.00 ? 41 ASP B HA 9 ATOM 12761 H HB2 . ASP B 1 41 ? -28.318 8.826 -8.198 1.00 0.00 ? 41 ASP B HB2 9 ATOM 12762 H HB3 . ASP B 1 41 ? -28.054 10.512 -7.763 1.00 0.00 ? 41 ASP B HB3 9 ATOM 12763 N N . ALA A 1 1 ? -35.249 -9.942 2.529 1.00 0.00 ? 1 ALA A N 10 ATOM 12764 C CA . ALA A 1 1 ? -34.457 -9.006 1.690 1.00 0.00 ? 1 ALA A CA 10 ATOM 12765 C C . ALA A 1 1 ? -33.428 -8.256 2.530 1.00 0.00 ? 1 ALA A C 10 ATOM 12766 O O . ALA A 1 1 ? -33.609 -7.080 2.845 1.00 0.00 ? 1 ALA A O 10 ATOM 12767 C CB . ALA A 1 1 ? -35.377 -8.023 0.984 1.00 0.00 ? 1 ALA A CB 10 ATOM 12768 H H1 . ALA A 1 1 ? -34.583 -10.598 2.987 1.00 0.00 ? 1 ALA A H1 10 ATOM 12769 H H2 . ALA A 1 1 ? -35.764 -9.378 3.234 1.00 0.00 ? 1 ALA A H2 10 ATOM 12770 H H3 . ALA A 1 1 ? -35.906 -10.450 1.904 1.00 0.00 ? 1 ALA A H3 10 ATOM 12771 H HA . ALA A 1 1 ? -33.938 -9.581 0.937 1.00 0.00 ? 1 ALA A HA 10 ATOM 12772 H HB1 . ALA A 1 1 ? -36.308 -8.514 0.740 1.00 0.00 ? 1 ALA A HB1 10 ATOM 12773 H HB2 . ALA A 1 1 ? -35.572 -7.182 1.631 1.00 0.00 ? 1 ALA A HB2 10 ATOM 12774 H HB3 . ALA A 1 1 ? -34.906 -7.678 0.075 1.00 0.00 ? 1 ALA A HB3 10 ATOM 12775 N N . LEU A 1 2 ? -32.349 -8.944 2.890 1.00 0.00 ? 2 LEU A N 10 ATOM 12776 C CA . LEU A 1 2 ? -31.292 -8.342 3.693 1.00 0.00 ? 2 LEU A CA 10 ATOM 12777 C C . LEU A 1 2 ? -30.021 -8.156 2.870 1.00 0.00 ? 2 LEU A C 10 ATOM 12778 O O . LEU A 1 2 ? -29.256 -9.100 2.671 1.00 0.00 ? 2 LEU A O 10 ATOM 12779 C CB . LEU A 1 2 ? -30.998 -9.210 4.918 1.00 0.00 ? 2 LEU A CB 10 ATOM 12780 C CG . LEU A 1 2 ? -32.195 -9.991 5.461 1.00 0.00 ? 2 LEU A CG 10 ATOM 12781 C CD1 . LEU A 1 2 ? -32.288 -11.355 4.797 1.00 0.00 ? 2 LEU A CD1 10 ATOM 12782 C CD2 . LEU A 1 2 ? -32.094 -10.137 6.972 1.00 0.00 ? 2 LEU A CD2 10 ATOM 12783 H H . LEU A 1 2 ? -32.262 -9.878 2.608 1.00 0.00 ? 2 LEU A H 10 ATOM 12784 H HA . LEU A 1 2 ? -31.637 -7.373 4.024 1.00 0.00 ? 2 LEU A HA 10 ATOM 12785 H HB2 . LEU A 1 2 ? -30.222 -9.915 4.656 1.00 0.00 ? 2 LEU A HB2 10 ATOM 12786 H HB3 . LEU A 1 2 ? -30.627 -8.571 5.706 1.00 0.00 ? 2 LEU A HB3 10 ATOM 12787 H HG . LEU A 1 2 ? -33.102 -9.448 5.237 1.00 0.00 ? 2 LEU A HG 10 ATOM 12788 H HD11 . LEU A 1 2 ? -31.313 -11.647 4.437 1.00 0.00 ? 2 LEU A HD11 10 ATOM 12789 H HD12 . LEU A 1 2 ? -32.639 -12.083 5.514 1.00 0.00 ? 2 LEU A HD12 10 ATOM 12790 H HD13 . LEU A 1 2 ? -32.978 -11.305 3.967 1.00 0.00 ? 2 LEU A HD13 10 ATOM 12791 H HD21 . LEU A 1 2 ? -31.108 -10.490 7.234 1.00 0.00 ? 2 LEU A HD21 10 ATOM 12792 H HD22 . LEU A 1 2 ? -32.269 -9.179 7.439 1.00 0.00 ? 2 LEU A HD22 10 ATOM 12793 H HD23 . LEU A 1 2 ? -32.833 -10.846 7.316 1.00 0.00 ? 2 LEU A HD23 10 ATOM 12794 N N . LYS A 1 3 ? -29.804 -6.935 2.394 1.00 0.00 ? 3 LYS A N 10 ATOM 12795 C CA . LYS A 1 3 ? -28.625 -6.627 1.593 1.00 0.00 ? 3 LYS A CA 10 ATOM 12796 C C . LYS A 1 3 ? -27.541 -5.977 2.446 1.00 0.00 ? 3 LYS A C 10 ATOM 12797 O O . LYS A 1 3 ? -26.993 -4.935 2.086 1.00 0.00 ? 3 LYS A O 10 ATOM 12798 C CB . LYS A 1 3 ? -28.999 -5.705 0.431 1.00 0.00 ? 3 LYS A CB 10 ATOM 12799 C CG . LYS A 1 3 ? -29.274 -6.445 -0.868 1.00 0.00 ? 3 LYS A CG 10 ATOM 12800 C CD . LYS A 1 3 ? -30.748 -6.400 -1.234 1.00 0.00 ? 3 LYS A CD 10 ATOM 12801 C CE . LYS A 1 3 ? -31.192 -7.683 -1.918 1.00 0.00 ? 3 LYS A CE 10 ATOM 12802 N NZ . LYS A 1 3 ? -31.833 -7.418 -3.236 1.00 0.00 ? 3 LYS A NZ 10 ATOM 12803 H H . LYS A 1 3 ? -30.451 -6.224 2.586 1.00 0.00 ? 3 LYS A H 10 ATOM 12804 H HA . LYS A 1 3 ? -28.244 -7.555 1.195 1.00 0.00 ? 3 LYS A HA 10 ATOM 12805 H HB2 . LYS A 1 3 ? -29.886 -5.150 0.698 1.00 0.00 ? 3 LYS A HB2 10 ATOM 12806 H HB3 . LYS A 1 3 ? -28.189 -5.012 0.260 1.00 0.00 ? 3 LYS A HB3 10 ATOM 12807 H HG2 . LYS A 1 3 ? -28.702 -5.986 -1.661 1.00 0.00 ? 3 LYS A HG2 10 ATOM 12808 H HG3 . LYS A 1 3 ? -28.971 -7.476 -0.754 1.00 0.00 ? 3 LYS A HG3 10 ATOM 12809 H HD2 . LYS A 1 3 ? -31.329 -6.264 -0.335 1.00 0.00 ? 3 LYS A HD2 10 ATOM 12810 H HD3 . LYS A 1 3 ? -30.917 -5.568 -1.905 1.00 0.00 ? 3 LYS A HD3 10 ATOM 12811 H HE2 . LYS A 1 3 ? -30.329 -8.313 -2.068 1.00 0.00 ? 3 LYS A HE2 10 ATOM 12812 H HE3 . LYS A 1 3 ? -31.900 -8.190 -1.279 1.00 0.00 ? 3 LYS A HE3 10 ATOM 12813 H HZ1 . LYS A 1 3 ? -31.742 -6.412 -3.481 1.00 0.00 ? 3 LYS A HZ1 10 ATOM 12814 H HZ2 . LYS A 1 3 ? -31.376 -7.987 -3.977 1.00 0.00 ? 3 LYS A HZ2 10 ATOM 12815 H HZ3 . LYS A 1 3 ? -32.843 -7.665 -3.198 1.00 0.00 ? 3 LYS A HZ3 10 ATOM 12816 N N . LYS A 1 4 ? -27.236 -6.599 3.580 1.00 0.00 ? 4 LYS A N 10 ATOM 12817 C CA . LYS A 1 4 ? -26.217 -6.082 4.486 1.00 0.00 ? 4 LYS A CA 10 ATOM 12818 C C . LYS A 1 4 ? -24.866 -6.738 4.216 1.00 0.00 ? 4 LYS A C 10 ATOM 12819 O O . LYS A 1 4 ? -24.012 -6.810 5.099 1.00 0.00 ? 4 LYS A O 10 ATOM 12820 C CB . LYS A 1 4 ? -26.630 -6.318 5.940 1.00 0.00 ? 4 LYS A CB 10 ATOM 12821 C CG . LYS A 1 4 ? -26.600 -7.781 6.351 1.00 0.00 ? 4 LYS A CG 10 ATOM 12822 C CD . LYS A 1 4 ? -27.806 -8.145 7.201 1.00 0.00 ? 4 LYS A CD 10 ATOM 12823 C CE . LYS A 1 4 ? -27.598 -9.464 7.928 1.00 0.00 ? 4 LYS A CE 10 ATOM 12824 N NZ . LYS A 1 4 ? -27.366 -10.589 6.979 1.00 0.00 ? 4 LYS A NZ 10 ATOM 12825 H H . LYS A 1 4 ? -27.707 -7.427 3.814 1.00 0.00 ? 4 LYS A H 10 ATOM 12826 H HA . LYS A 1 4 ? -26.128 -5.019 4.313 1.00 0.00 ? 4 LYS A HA 10 ATOM 12827 H HB2 . LYS A 1 4 ? -25.957 -5.771 6.586 1.00 0.00 ? 4 LYS A HB2 10 ATOM 12828 H HB3 . LYS A 1 4 ? -27.633 -5.946 6.081 1.00 0.00 ? 4 LYS A HB3 10 ATOM 12829 H HG2 . LYS A 1 4 ? -26.602 -8.394 5.462 1.00 0.00 ? 4 LYS A HG2 10 ATOM 12830 H HG3 . LYS A 1 4 ? -25.700 -7.967 6.918 1.00 0.00 ? 4 LYS A HG3 10 ATOM 12831 H HD2 . LYS A 1 4 ? -27.967 -7.366 7.932 1.00 0.00 ? 4 LYS A HD2 10 ATOM 12832 H HD3 . LYS A 1 4 ? -28.673 -8.227 6.563 1.00 0.00 ? 4 LYS A HD3 10 ATOM 12833 H HE2 . LYS A 1 4 ? -26.741 -9.371 8.578 1.00 0.00 ? 4 LYS A HE2 10 ATOM 12834 H HE3 . LYS A 1 4 ? -28.476 -9.677 8.518 1.00 0.00 ? 4 LYS A HE3 10 ATOM 12835 H HZ1 . LYS A 1 4 ? -27.191 -10.220 6.022 1.00 0.00 ? 4 LYS A HZ1 10 ATOM 12836 H HZ2 . LYS A 1 4 ? -26.541 -11.146 7.281 1.00 0.00 ? 4 LYS A HZ2 10 ATOM 12837 H HZ3 . LYS A 1 4 ? -28.200 -11.210 6.951 1.00 0.00 ? 4 LYS A HZ3 10 ATOM 12838 N N . HIS A 1 5 ? -24.680 -7.213 2.988 1.00 0.00 ? 5 HIS A N 10 ATOM 12839 C CA . HIS A 1 5 ? -23.432 -7.862 2.602 1.00 0.00 ? 5 HIS A CA 10 ATOM 12840 C C . HIS A 1 5 ? -22.428 -6.839 2.083 1.00 0.00 ? 5 HIS A C 10 ATOM 12841 O O . HIS A 1 5 ? -21.220 -6.983 2.279 1.00 0.00 ? 5 HIS A O 10 ATOM 12842 C CB . HIS A 1 5 ? -23.691 -8.925 1.532 1.00 0.00 ? 5 HIS A CB 10 ATOM 12843 C CG . HIS A 1 5 ? -24.988 -9.654 1.712 1.00 0.00 ? 5 HIS A CG 10 ATOM 12844 N ND1 . HIS A 1 5 ? -25.575 -9.856 2.944 1.00 0.00 ? 5 HIS A ND1 10 ATOM 12845 C CD2 . HIS A 1 5 ? -25.814 -10.229 0.805 1.00 0.00 ? 5 HIS A CD2 10 ATOM 12846 C CE1 . HIS A 1 5 ? -26.704 -10.525 2.788 1.00 0.00 ? 5 HIS A CE1 10 ATOM 12847 N NE2 . HIS A 1 5 ? -26.872 -10.761 1.500 1.00 0.00 ? 5 HIS A NE2 10 ATOM 12848 H H . HIS A 1 5 ? -25.396 -7.125 2.327 1.00 0.00 ? 5 HIS A H 10 ATOM 12849 H HA . HIS A 1 5 ? -23.021 -8.339 3.480 1.00 0.00 ? 5 HIS A HA 10 ATOM 12850 H HB2 . HIS A 1 5 ? -23.709 -8.452 0.562 1.00 0.00 ? 5 HIS A HB2 10 ATOM 12851 H HB3 . HIS A 1 5 ? -22.894 -9.653 1.558 1.00 0.00 ? 5 HIS A HB3 10 ATOM 12852 H HD1 . HIS A 1 5 ? -25.216 -9.555 3.804 1.00 0.00 ? 5 HIS A HD1 10 ATOM 12853 H HD2 . HIS A 1 5 ? -25.668 -10.261 -0.265 1.00 0.00 ? 5 HIS A HD2 10 ATOM 12854 H HE1 . HIS A 1 5 ? -27.376 -10.823 3.578 1.00 0.00 ? 5 HIS A HE1 10 ATOM 12855 H HE2 . HIS A 1 5 ? -27.630 -11.240 1.106 1.00 0.00 ? 5 HIS A HE2 10 ATOM 12856 N N . HIS A 1 6 ? -22.935 -5.805 1.419 1.00 0.00 ? 6 HIS A N 10 ATOM 12857 C CA . HIS A 1 6 ? -22.081 -4.758 0.872 1.00 0.00 ? 6 HIS A CA 10 ATOM 12858 C C . HIS A 1 6 ? -21.341 -4.028 1.983 1.00 0.00 ? 6 HIS A C 10 ATOM 12859 O O . HIS A 1 6 ? -20.171 -3.693 1.836 1.00 0.00 ? 6 HIS A O 10 ATOM 12860 C CB . HIS A 1 6 ? -22.909 -3.768 0.051 1.00 0.00 ? 6 HIS A CB 10 ATOM 12861 C CG . HIS A 1 6 ? -23.368 -4.316 -1.264 1.00 0.00 ? 6 HIS A CG 10 ATOM 12862 N ND1 . HIS A 1 6 ? -23.299 -5.657 -1.586 1.00 0.00 ? 6 HIS A ND1 10 ATOM 12863 C CD2 . HIS A 1 6 ? -23.904 -3.699 -2.343 1.00 0.00 ? 6 HIS A CD2 10 ATOM 12864 C CE1 . HIS A 1 6 ? -23.773 -5.839 -2.806 1.00 0.00 ? 6 HIS A CE1 10 ATOM 12865 N NE2 . HIS A 1 6 ? -24.146 -4.667 -3.286 1.00 0.00 ? 6 HIS A NE2 10 ATOM 12866 H H . HIS A 1 6 ? -23.905 -5.745 1.295 1.00 0.00 ? 6 HIS A H 10 ATOM 12867 H HA . HIS A 1 6 ? -21.353 -5.230 0.228 1.00 0.00 ? 6 HIS A HA 10 ATOM 12868 H HB2 . HIS A 1 6 ? -23.785 -3.485 0.616 1.00 0.00 ? 6 HIS A HB2 10 ATOM 12869 H HB3 . HIS A 1 6 ? -22.314 -2.887 -0.144 1.00 0.00 ? 6 HIS A HB3 10 ATOM 12870 H HD1 . HIS A 1 6 ? -22.954 -6.367 -1.006 1.00 0.00 ? 6 HIS A HD1 10 ATOM 12871 H HD2 . HIS A 1 6 ? -24.104 -2.641 -2.445 1.00 0.00 ? 6 HIS A HD2 10 ATOM 12872 H HE1 . HIS A 1 6 ? -23.843 -6.785 -3.321 1.00 0.00 ? 6 HIS A HE1 10 ATOM 12873 H HE2 . HIS A 1 6 ? -24.534 -4.517 -4.173 1.00 0.00 ? 6 HIS A HE2 10 ATOM 12874 N N . GLU A 1 7 ? -22.027 -3.787 3.096 1.00 0.00 ? 7 GLU A N 10 ATOM 12875 C CA . GLU A 1 7 ? -21.424 -3.104 4.233 1.00 0.00 ? 7 GLU A CA 10 ATOM 12876 C C . GLU A 1 7 ? -20.277 -3.929 4.811 1.00 0.00 ? 7 GLU A C 10 ATOM 12877 O O . GLU A 1 7 ? -19.388 -3.392 5.470 1.00 0.00 ? 7 GLU A O 10 ATOM 12878 C CB . GLU A 1 7 ? -22.475 -2.839 5.313 1.00 0.00 ? 7 GLU A CB 10 ATOM 12879 C CG . GLU A 1 7 ? -23.480 -1.764 4.933 1.00 0.00 ? 7 GLU A CG 10 ATOM 12880 C CD . GLU A 1 7 ? -24.478 -1.483 6.040 1.00 0.00 ? 7 GLU A CD 10 ATOM 12881 O OE1 . GLU A 1 7 ? -24.226 -1.906 7.188 1.00 0.00 ? 7 GLU A OE1 10 ATOM 12882 O OE2 . GLU A 1 7 ? -25.510 -0.838 5.759 1.00 0.00 ? 7 GLU A OE2 10 ATOM 12883 H H . GLU A 1 7 ? -22.957 -4.077 3.155 1.00 0.00 ? 7 GLU A H 10 ATOM 12884 H HA . GLU A 1 7 ? -21.032 -2.161 3.883 1.00 0.00 ? 7 GLU A HA 10 ATOM 12885 H HB2 . GLU A 1 7 ? -23.015 -3.755 5.506 1.00 0.00 ? 7 GLU A HB2 10 ATOM 12886 H HB3 . GLU A 1 7 ? -21.974 -2.529 6.218 1.00 0.00 ? 7 GLU A HB3 10 ATOM 12887 H HG2 . GLU A 1 7 ? -22.946 -0.852 4.712 1.00 0.00 ? 7 GLU A HG2 10 ATOM 12888 H HG3 . GLU A 1 7 ? -24.020 -2.088 4.056 1.00 0.00 ? 7 GLU A HG3 10 ATOM 12889 N N . ASN A 1 8 ? -20.300 -5.236 4.555 1.00 0.00 ? 8 ASN A N 10 ATOM 12890 C CA . ASN A 1 8 ? -19.255 -6.127 5.044 1.00 0.00 ? 8 ASN A CA 10 ATOM 12891 C C . ASN A 1 8 ? -17.990 -5.960 4.210 1.00 0.00 ? 8 ASN A C 10 ATOM 12892 O O . ASN A 1 8 ? -16.938 -5.577 4.725 1.00 0.00 ? 8 ASN A O 10 ATOM 12893 C CB . ASN A 1 8 ? -19.726 -7.582 4.998 1.00 0.00 ? 8 ASN A CB 10 ATOM 12894 C CG . ASN A 1 8 ? -19.774 -8.218 6.373 1.00 0.00 ? 8 ASN A CG 10 ATOM 12895 O OD1 . ASN A 1 8 ? -20.035 -7.546 7.371 1.00 0.00 ? 8 ASN A OD1 10 ATOM 12896 N ND2 . ASN A 1 8 ? -19.523 -9.521 6.432 1.00 0.00 ? 8 ASN A ND2 10 ATOM 12897 H H . ASN A 1 8 ? -21.032 -5.608 4.020 1.00 0.00 ? 8 ASN A H 10 ATOM 12898 H HA . ASN A 1 8 ? -19.037 -5.857 6.067 1.00 0.00 ? 8 ASN A HA 10 ATOM 12899 H HB2 . ASN A 1 8 ? -20.716 -7.619 4.569 1.00 0.00 ? 8 ASN A HB2 10 ATOM 12900 H HB3 . ASN A 1 8 ? -19.049 -8.154 4.379 1.00 0.00 ? 8 ASN A HB3 10 ATOM 12901 H HD21 . ASN A 1 8 ? -19.323 -9.992 5.596 1.00 0.00 ? 8 ASN A HD21 10 ATOM 12902 H HD22 . ASN A 1 8 ? -19.547 -9.958 7.308 1.00 0.00 ? 8 ASN A HD22 10 ATOM 12903 N N . GLU A 1 9 ? -18.107 -6.223 2.912 1.00 0.00 ? 9 GLU A N 10 ATOM 12904 C CA . GLU A 1 9 ? -16.977 -6.074 2.003 1.00 0.00 ? 9 GLU A CA 10 ATOM 12905 C C . GLU A 1 9 ? -16.565 -4.604 1.899 1.00 0.00 ? 9 GLU A C 10 ATOM 12906 O O . GLU A 1 9 ? -15.482 -4.282 1.407 1.00 0.00 ? 9 GLU A O 10 ATOM 12907 C CB . GLU A 1 9 ? -17.339 -6.616 0.619 1.00 0.00 ? 9 GLU A CB 10 ATOM 12908 C CG . GLU A 1 9 ? -16.142 -6.782 -0.302 1.00 0.00 ? 9 GLU A CG 10 ATOM 12909 C CD . GLU A 1 9 ? -15.772 -8.236 -0.522 1.00 0.00 ? 9 GLU A CD 10 ATOM 12910 O OE1 . GLU A 1 9 ? -16.148 -9.078 0.321 1.00 0.00 ? 9 GLU A OE1 10 ATOM 12911 O OE2 . GLU A 1 9 ? -15.107 -8.532 -1.536 1.00 0.00 ? 9 GLU A OE2 10 ATOM 12912 H H . GLU A 1 9 ? -18.978 -6.503 2.554 1.00 0.00 ? 9 GLU A H 10 ATOM 12913 H HA . GLU A 1 9 ? -16.150 -6.643 2.402 1.00 0.00 ? 9 GLU A HA 10 ATOM 12914 H HB2 . GLU A 1 9 ? -17.812 -7.579 0.735 1.00 0.00 ? 9 GLU A HB2 10 ATOM 12915 H HB3 . GLU A 1 9 ? -18.035 -5.937 0.149 1.00 0.00 ? 9 GLU A HB3 10 ATOM 12916 H HG2 . GLU A 1 9 ? -16.374 -6.337 -1.258 1.00 0.00 ? 9 GLU A HG2 10 ATOM 12917 H HG3 . GLU A 1 9 ? -15.295 -6.272 0.135 1.00 0.00 ? 9 GLU A HG3 10 ATOM 12918 N N . ILE A 1 10 ? -17.440 -3.717 2.375 1.00 0.00 ? 10 ILE A N 10 ATOM 12919 C CA . ILE A 1 10 ? -17.188 -2.287 2.351 1.00 0.00 ? 10 ILE A CA 10 ATOM 12920 C C . ILE A 1 10 ? -16.302 -1.892 3.535 1.00 0.00 ? 10 ILE A C 10 ATOM 12921 O O . ILE A 1 10 ? -15.358 -1.121 3.386 1.00 0.00 ? 10 ILE A O 10 ATOM 12922 C CB . ILE A 1 10 ? -18.540 -1.511 2.362 1.00 0.00 ? 10 ILE A CB 10 ATOM 12923 C CG1 . ILE A 1 10 ? -19.093 -1.418 0.937 1.00 0.00 ? 10 ILE A CG1 10 ATOM 12924 C CG2 . ILE A 1 10 ? -18.426 -0.116 2.968 1.00 0.00 ? 10 ILE A CG2 10 ATOM 12925 C CD1 . ILE A 1 10 ? -20.522 -0.926 0.875 1.00 0.00 ? 10 ILE A CD1 10 ATOM 12926 H H . ILE A 1 10 ? -18.277 -4.033 2.760 1.00 0.00 ? 10 ILE A H 10 ATOM 12927 H HA . ILE A 1 10 ? -16.668 -2.054 1.432 1.00 0.00 ? 10 ILE A HA 10 ATOM 12928 H HB . ILE A 1 10 ? -19.238 -2.073 2.963 1.00 0.00 ? 10 ILE A HB 10 ATOM 12929 H HG12 . ILE A 1 10 ? -18.483 -0.734 0.367 1.00 0.00 ? 10 ILE A HG12 10 ATOM 12930 H HG13 . ILE A 1 10 ? -19.055 -2.394 0.479 1.00 0.00 ? 10 ILE A HG13 10 ATOM 12931 H HG21 . ILE A 1 10 ? -17.981 -0.185 3.949 1.00 0.00 ? 10 ILE A HG21 10 ATOM 12932 H HG22 . ILE A 1 10 ? -17.812 0.505 2.334 1.00 0.00 ? 10 ILE A HG22 10 ATOM 12933 H HG23 . ILE A 1 10 ? -19.414 0.316 3.050 1.00 0.00 ? 10 ILE A HG23 10 ATOM 12934 H HD11 . ILE A 1 10 ? -20.694 -0.214 1.667 1.00 0.00 ? 10 ILE A HD11 10 ATOM 12935 H HD12 . ILE A 1 10 ? -20.698 -0.452 -0.080 1.00 0.00 ? 10 ILE A HD12 10 ATOM 12936 H HD13 . ILE A 1 10 ? -21.195 -1.763 0.989 1.00 0.00 ? 10 ILE A HD13 10 ATOM 12937 N N . SER A 1 11 ? -16.604 -2.440 4.705 1.00 0.00 ? 11 SER A N 10 ATOM 12938 C CA . SER A 1 11 ? -15.822 -2.152 5.897 1.00 0.00 ? 11 SER A CA 10 ATOM 12939 C C . SER A 1 11 ? -14.412 -2.706 5.748 1.00 0.00 ? 11 SER A C 10 ATOM 12940 O O . SER A 1 11 ? -13.455 -2.167 6.308 1.00 0.00 ? 11 SER A O 10 ATOM 12941 C CB . SER A 1 11 ? -16.495 -2.748 7.136 1.00 0.00 ? 11 SER A CB 10 ATOM 12942 O OG . SER A 1 11 ? -15.558 -2.937 8.183 1.00 0.00 ? 11 SER A OG 10 ATOM 12943 H H . SER A 1 11 ? -17.361 -3.060 4.764 1.00 0.00 ? 11 SER A H 10 ATOM 12944 H HA . SER A 1 11 ? -15.765 -1.079 6.007 1.00 0.00 ? 11 SER A HA 10 ATOM 12945 H HB2 . SER A 1 11 ? -17.269 -2.079 7.480 1.00 0.00 ? 11 SER A HB2 10 ATOM 12946 H HB3 . SER A 1 11 ? -16.930 -3.703 6.881 1.00 0.00 ? 11 SER A HB3 10 ATOM 12947 H HG . SER A 1 11 ? -15.757 -2.334 8.903 1.00 0.00 ? 11 SER A HG 10 ATOM 12948 N N . HIS A 1 12 ? -14.291 -3.784 4.980 1.00 0.00 ? 12 HIS A N 10 ATOM 12949 C CA . HIS A 1 12 ? -13.000 -4.412 4.747 1.00 0.00 ? 12 HIS A CA 10 ATOM 12950 C C . HIS A 1 12 ? -12.150 -3.542 3.814 1.00 0.00 ? 12 HIS A C 10 ATOM 12951 O O . HIS A 1 12 ? -10.984 -3.273 4.100 1.00 0.00 ? 12 HIS A O 10 ATOM 12952 C CB . HIS A 1 12 ? -13.210 -5.845 4.203 1.00 0.00 ? 12 HIS A CB 10 ATOM 12953 C CG . HIS A 1 12 ? -12.387 -6.222 3.004 1.00 0.00 ? 12 HIS A CG 10 ATOM 12954 N ND1 . HIS A 1 12 ? -11.069 -6.619 3.085 1.00 0.00 ? 12 HIS A ND1 10 ATOM 12955 C CD2 . HIS A 1 12 ? -12.711 -6.262 1.691 1.00 0.00 ? 12 HIS A CD2 10 ATOM 12956 C CE1 . HIS A 1 12 ? -10.617 -6.887 1.872 1.00 0.00 ? 12 HIS A CE1 10 ATOM 12957 N NE2 . HIS A 1 12 ? -11.594 -6.678 1.009 1.00 0.00 ? 12 HIS A NE2 10 ATOM 12958 H H . HIS A 1 12 ? -15.090 -4.165 4.556 1.00 0.00 ? 12 HIS A H 10 ATOM 12959 H HA . HIS A 1 12 ? -12.495 -4.473 5.701 1.00 0.00 ? 12 HIS A HA 10 ATOM 12960 H HB2 . HIS A 1 12 ? -12.975 -6.549 4.987 1.00 0.00 ? 12 HIS A HB2 10 ATOM 12961 H HB3 . HIS A 1 12 ? -14.252 -5.961 3.936 1.00 0.00 ? 12 HIS A HB3 10 ATOM 12962 H HD1 . HIS A 1 12 ? -10.543 -6.694 3.909 1.00 0.00 ? 12 HIS A HD1 10 ATOM 12963 H HD2 . HIS A 1 12 ? -13.670 -6.012 1.262 1.00 0.00 ? 12 HIS A HD2 10 ATOM 12964 H HE1 . HIS A 1 12 ? -9.619 -7.220 1.629 1.00 0.00 ? 12 HIS A HE1 10 ATOM 12965 H HE2 . HIS A 1 12 ? -11.530 -6.801 0.040 1.00 0.00 ? 12 HIS A HE2 10 ATOM 12966 N N . HIS A 1 13 ? -12.740 -3.097 2.705 1.00 0.00 ? 13 HIS A N 10 ATOM 12967 C CA . HIS A 1 13 ? -12.018 -2.253 1.760 1.00 0.00 ? 13 HIS A CA 10 ATOM 12968 C C . HIS A 1 13 ? -11.555 -0.972 2.437 1.00 0.00 ? 13 HIS A C 10 ATOM 12969 O O . HIS A 1 13 ? -10.552 -0.381 2.045 1.00 0.00 ? 13 HIS A O 10 ATOM 12970 C CB . HIS A 1 13 ? -12.889 -1.899 0.557 1.00 0.00 ? 13 HIS A CB 10 ATOM 12971 C CG . HIS A 1 13 ? -13.418 -3.080 -0.186 1.00 0.00 ? 13 HIS A CG 10 ATOM 12972 N ND1 . HIS A 1 13 ? -12.760 -4.289 -0.261 1.00 0.00 ? 13 HIS A ND1 10 ATOM 12973 C CD2 . HIS A 1 13 ? -14.552 -3.223 -0.901 1.00 0.00 ? 13 HIS A CD2 10 ATOM 12974 C CE1 . HIS A 1 13 ? -13.470 -5.127 -0.997 1.00 0.00 ? 13 HIS A CE1 10 ATOM 12975 N NE2 . HIS A 1 13 ? -14.562 -4.504 -1.396 1.00 0.00 ? 13 HIS A NE2 10 ATOM 12976 H H . HIS A 1 13 ? -13.675 -3.334 2.524 1.00 0.00 ? 13 HIS A H 10 ATOM 12977 H HA . HIS A 1 13 ? -11.151 -2.801 1.419 1.00 0.00 ? 13 HIS A HA 10 ATOM 12978 H HB2 . HIS A 1 13 ? -13.734 -1.318 0.895 1.00 0.00 ? 13 HIS A HB2 10 ATOM 12979 H HB3 . HIS A 1 13 ? -12.307 -1.307 -0.133 1.00 0.00 ? 13 HIS A HB3 10 ATOM 12980 H HD1 . HIS A 1 13 ? -11.900 -4.501 0.159 1.00 0.00 ? 13 HIS A HD1 10 ATOM 12981 H HD2 . HIS A 1 13 ? -15.306 -2.465 -1.057 1.00 0.00 ? 13 HIS A HD2 10 ATOM 12982 H HE1 . HIS A 1 13 ? -13.202 -6.147 -1.229 1.00 0.00 ? 13 HIS A HE1 10 ATOM 12983 H HE2 . HIS A 1 13 ? -15.266 -4.895 -1.956 1.00 0.00 ? 13 HIS A HE2 10 ATOM 12984 N N . ALA A 1 14 ? -12.297 -0.544 3.455 1.00 0.00 ? 14 ALA A N 10 ATOM 12985 C CA . ALA A 1 14 ? -11.957 0.670 4.184 1.00 0.00 ? 14 ALA A CA 10 ATOM 12986 C C . ALA A 1 14 ? -10.660 0.479 4.956 1.00 0.00 ? 14 ALA A C 10 ATOM 12987 O O . ALA A 1 14 ? -9.703 1.231 4.776 1.00 0.00 ? 14 ALA A O 10 ATOM 12988 C CB . ALA A 1 14 ? -13.086 1.058 5.126 1.00 0.00 ? 14 ALA A CB 10 ATOM 12989 H H . ALA A 1 14 ? -13.089 -1.058 3.722 1.00 0.00 ? 14 ALA A H 10 ATOM 12990 H HA . ALA A 1 14 ? -11.823 1.465 3.466 1.00 0.00 ? 14 ALA A HA 10 ATOM 12991 H HB1 . ALA A 1 14 ? -12.928 0.597 6.090 1.00 0.00 ? 14 ALA A HB1 10 ATOM 12992 H HB2 . ALA A 1 14 ? -14.028 0.723 4.716 1.00 0.00 ? 14 ALA A HB2 10 ATOM 12993 H HB3 . ALA A 1 14 ? -13.107 2.133 5.241 1.00 0.00 ? 14 ALA A HB3 10 ATOM 12994 N N . LYS A 1 15 ? -10.629 -0.545 5.801 1.00 0.00 ? 15 LYS A N 10 ATOM 12995 C CA . LYS A 1 15 ? -9.437 -0.844 6.580 1.00 0.00 ? 15 LYS A CA 10 ATOM 12996 C C . LYS A 1 15 ? -8.305 -1.323 5.670 1.00 0.00 ? 15 LYS A C 10 ATOM 12997 O O . LYS A 1 15 ? -7.150 -1.387 6.087 1.00 0.00 ? 15 LYS A O 10 ATOM 12998 C CB . LYS A 1 15 ? -9.746 -1.906 7.637 1.00 0.00 ? 15 LYS A CB 10 ATOM 12999 C CG . LYS A 1 15 ? -9.952 -3.298 7.060 1.00 0.00 ? 15 LYS A CG 10 ATOM 13000 C CD . LYS A 1 15 ? -8.924 -4.281 7.597 1.00 0.00 ? 15 LYS A CD 10 ATOM 13001 C CE . LYS A 1 15 ? -9.580 -5.562 8.086 1.00 0.00 ? 15 LYS A CE 10 ATOM 13002 N NZ . LYS A 1 15 ? -8.916 -6.093 9.309 1.00 0.00 ? 15 LYS A NZ 10 ATOM 13003 H H . LYS A 1 15 ? -11.419 -1.120 5.890 1.00 0.00 ? 15 LYS A H 10 ATOM 13004 H HA . LYS A 1 15 ? -9.127 0.064 7.074 1.00 0.00 ? 15 LYS A HA 10 ATOM 13005 H HB2 . LYS A 1 15 ? -8.926 -1.949 8.338 1.00 0.00 ? 15 LYS A HB2 10 ATOM 13006 H HB3 . LYS A 1 15 ? -10.646 -1.622 8.164 1.00 0.00 ? 15 LYS A HB3 10 ATOM 13007 H HG2 . LYS A 1 15 ? -10.939 -3.645 7.326 1.00 0.00 ? 15 LYS A HG2 10 ATOM 13008 H HG3 . LYS A 1 15 ? -9.863 -3.249 5.985 1.00 0.00 ? 15 LYS A HG3 10 ATOM 13009 H HD2 . LYS A 1 15 ? -8.228 -4.524 6.808 1.00 0.00 ? 15 LYS A HD2 10 ATOM 13010 H HD3 . LYS A 1 15 ? -8.395 -3.821 8.418 1.00 0.00 ? 15 LYS A HD3 10 ATOM 13011 H HE2 . LYS A 1 15 ? -10.616 -5.358 8.310 1.00 0.00 ? 15 LYS A HE2 10 ATOM 13012 H HE3 . LYS A 1 15 ? -9.520 -6.303 7.303 1.00 0.00 ? 15 LYS A HE3 10 ATOM 13013 H HZ1 . LYS A 1 15 ? -8.859 -5.351 10.035 1.00 0.00 ? 15 LYS A HZ1 10 ATOM 13014 H HZ2 . LYS A 1 15 ? -9.459 -6.894 9.690 1.00 0.00 ? 15 LYS A HZ2 10 ATOM 13015 H HZ3 . LYS A 1 15 ? -7.955 -6.417 9.082 1.00 0.00 ? 15 LYS A HZ3 10 ATOM 13016 N N . GLU A 1 16 ? -8.646 -1.662 4.425 1.00 0.00 ? 16 GLU A N 10 ATOM 13017 C CA . GLU A 1 16 ? -7.657 -2.135 3.465 1.00 0.00 ? 16 GLU A CA 10 ATOM 13018 C C . GLU A 1 16 ? -6.938 -0.969 2.796 1.00 0.00 ? 16 GLU A C 10 ATOM 13019 O O . GLU A 1 16 ? -5.748 -1.058 2.503 1.00 0.00 ? 16 GLU A O 10 ATOM 13020 C CB . GLU A 1 16 ? -8.323 -3.014 2.406 1.00 0.00 ? 16 GLU A CB 10 ATOM 13021 C CG . GLU A 1 16 ? -8.156 -4.503 2.659 1.00 0.00 ? 16 GLU A CG 10 ATOM 13022 C CD . GLU A 1 16 ? -6.703 -4.909 2.809 1.00 0.00 ? 16 GLU A CD 10 ATOM 13023 O OE1 . GLU A 1 16 ? -6.039 -5.129 1.775 1.00 0.00 ? 16 GLU A OE1 10 ATOM 13024 O OE2 . GLU A 1 16 ? -6.230 -5.007 3.961 1.00 0.00 ? 16 GLU A OE2 10 ATOM 13025 H H . GLU A 1 16 ? -9.580 -1.595 4.144 1.00 0.00 ? 16 GLU A H 10 ATOM 13026 H HA . GLU A 1 16 ? -6.932 -2.725 4.004 1.00 0.00 ? 16 GLU A HA 10 ATOM 13027 H HB2 . GLU A 1 16 ? -9.380 -2.792 2.382 1.00 0.00 ? 16 GLU A HB2 10 ATOM 13028 H HB3 . GLU A 1 16 ? -7.894 -2.785 1.442 1.00 0.00 ? 16 GLU A HB3 10 ATOM 13029 H HG2 . GLU A 1 16 ? -8.682 -4.764 3.565 1.00 0.00 ? 16 GLU A HG2 10 ATOM 13030 H HG3 . GLU A 1 16 ? -8.582 -5.047 1.828 1.00 0.00 ? 16 GLU A HG3 10 ATOM 13031 N N . ILE A 1 17 ? -7.659 0.126 2.558 1.00 0.00 ? 17 ILE A N 10 ATOM 13032 C CA . ILE A 1 17 ? -7.062 1.298 1.929 1.00 0.00 ? 17 ILE A CA 10 ATOM 13033 C C . ILE A 1 17 ? -6.202 2.061 2.931 1.00 0.00 ? 17 ILE A C 10 ATOM 13034 O O . ILE A 1 17 ? -5.163 2.618 2.576 1.00 0.00 ? 17 ILE A O 10 ATOM 13035 C CB . ILE A 1 17 ? -8.141 2.233 1.337 1.00 0.00 ? 17 ILE A CB 10 ATOM 13036 C CG1 . ILE A 1 17 ? -7.507 3.516 0.774 1.00 0.00 ? 17 ILE A CG1 10 ATOM 13037 C CG2 . ILE A 1 17 ? -9.201 2.558 2.382 1.00 0.00 ? 17 ILE A CG2 10 ATOM 13038 C CD1 . ILE A 1 17 ? -7.189 4.565 1.821 1.00 0.00 ? 17 ILE A CD1 10 ATOM 13039 H H . ILE A 1 17 ? -8.608 0.148 2.815 1.00 0.00 ? 17 ILE A H 10 ATOM 13040 H HA . ILE A 1 17 ? -6.428 0.959 1.120 1.00 0.00 ? 17 ILE A HA 10 ATOM 13041 H HB . ILE A 1 17 ? -8.629 1.705 0.530 1.00 0.00 ? 17 ILE A HB 10 ATOM 13042 H HG12 . ILE A 1 17 ? -6.585 3.261 0.274 1.00 0.00 ? 17 ILE A HG12 10 ATOM 13043 H HG13 . ILE A 1 17 ? -8.186 3.957 0.059 1.00 0.00 ? 17 ILE A HG13 10 ATOM 13044 H HG21 . ILE A 1 17 ? -8.738 2.628 3.355 1.00 0.00 ? 17 ILE A HG21 10 ATOM 13045 H HG22 . ILE A 1 17 ? -9.672 3.499 2.138 1.00 0.00 ? 17 ILE A HG22 10 ATOM 13046 H HG23 . ILE A 1 17 ? -9.946 1.775 2.393 1.00 0.00 ? 17 ILE A HG23 10 ATOM 13047 H HD11 . ILE A 1 17 ? -7.415 4.175 2.803 1.00 0.00 ? 17 ILE A HD11 10 ATOM 13048 H HD12 . ILE A 1 17 ? -6.140 4.819 1.768 1.00 0.00 ? 17 ILE A HD12 10 ATOM 13049 H HD13 . ILE A 1 17 ? -7.783 5.448 1.639 1.00 0.00 ? 17 ILE A HD13 10 ATOM 13050 N N . GLU A 1 18 ? -6.636 2.071 4.186 1.00 0.00 ? 18 GLU A N 10 ATOM 13051 C CA . GLU A 1 18 ? -5.898 2.754 5.239 1.00 0.00 ? 18 GLU A CA 10 ATOM 13052 C C . GLU A 1 18 ? -4.697 1.922 5.674 1.00 0.00 ? 18 GLU A C 10 ATOM 13053 O O . GLU A 1 18 ? -3.617 2.457 5.931 1.00 0.00 ? 18 GLU A O 10 ATOM 13054 C CB . GLU A 1 18 ? -6.807 3.029 6.438 1.00 0.00 ? 18 GLU A CB 10 ATOM 13055 C CG . GLU A 1 18 ? -6.737 4.462 6.939 1.00 0.00 ? 18 GLU A CG 10 ATOM 13056 C CD . GLU A 1 18 ? -7.691 4.725 8.088 1.00 0.00 ? 18 GLU A CD 10 ATOM 13057 O OE1 . GLU A 1 18 ? -8.758 4.076 8.134 1.00 0.00 ? 18 GLU A OE1 10 ATOM 13058 O OE2 . GLU A 1 18 ? -7.372 5.579 8.941 1.00 0.00 ? 18 GLU A OE2 10 ATOM 13059 H H . GLU A 1 18 ? -7.467 1.600 4.411 1.00 0.00 ? 18 GLU A H 10 ATOM 13060 H HA . GLU A 1 18 ? -5.544 3.694 4.841 1.00 0.00 ? 18 GLU A HA 10 ATOM 13061 H HB2 . GLU A 1 18 ? -7.828 2.818 6.156 1.00 0.00 ? 18 GLU A HB2 10 ATOM 13062 H HB3 . GLU A 1 18 ? -6.525 2.372 7.248 1.00 0.00 ? 18 GLU A HB3 10 ATOM 13063 H HG2 . GLU A 1 18 ? -5.731 4.664 7.275 1.00 0.00 ? 18 GLU A HG2 10 ATOM 13064 H HG3 . GLU A 1 18 ? -6.985 5.127 6.126 1.00 0.00 ? 18 GLU A HG3 10 ATOM 13065 N N . ARG A 1 19 ? -4.889 0.609 5.747 1.00 0.00 ? 19 ARG A N 10 ATOM 13066 C CA . ARG A 1 19 ? -3.818 -0.295 6.142 1.00 0.00 ? 19 ARG A CA 10 ATOM 13067 C C . ARG A 1 19 ? -2.799 -0.440 5.021 1.00 0.00 ? 19 ARG A C 10 ATOM 13068 O O . ARG A 1 19 ? -1.621 -0.702 5.268 1.00 0.00 ? 19 ARG A O 10 ATOM 13069 C CB . ARG A 1 19 ? -4.386 -1.665 6.517 1.00 0.00 ? 19 ARG A CB 10 ATOM 13070 C CG . ARG A 1 19 ? -5.127 -1.676 7.844 1.00 0.00 ? 19 ARG A CG 10 ATOM 13071 C CD . ARG A 1 19 ? -4.190 -1.394 9.006 1.00 0.00 ? 19 ARG A CD 10 ATOM 13072 N NE . ARG A 1 19 ? -4.876 -1.468 10.293 1.00 0.00 ? 19 ARG A NE 10 ATOM 13073 C CZ . ARG A 1 19 ? -4.246 -1.569 11.459 1.00 0.00 ? 19 ARG A CZ 10 ATOM 13074 N NH1 . ARG A 1 19 ? -2.922 -1.608 11.498 1.00 0.00 ? 19 ARG A NH1 10 ATOM 13075 N NH2 . ARG A 1 19 ? -4.940 -1.630 12.587 1.00 0.00 ? 19 ARG A NH2 10 ATOM 13076 H H . ARG A 1 19 ? -5.769 0.240 5.523 1.00 0.00 ? 19 ARG A H 10 ATOM 13077 H HA . ARG A 1 19 ? -3.327 0.131 7.004 1.00 0.00 ? 19 ARG A HA 10 ATOM 13078 H HB2 . ARG A 1 19 ? -5.071 -1.982 5.743 1.00 0.00 ? 19 ARG A HB2 10 ATOM 13079 H HB3 . ARG A 1 19 ? -3.573 -2.375 6.577 1.00 0.00 ? 19 ARG A HB3 10 ATOM 13080 H HG2 . ARG A 1 19 ? -5.895 -0.916 7.823 1.00 0.00 ? 19 ARG A HG2 10 ATOM 13081 H HG3 . ARG A 1 19 ? -5.581 -2.646 7.984 1.00 0.00 ? 19 ARG A HG3 10 ATOM 13082 H HD2 . ARG A 1 19 ? -3.392 -2.123 8.993 1.00 0.00 ? 19 ARG A HD2 10 ATOM 13083 H HD3 . ARG A 1 19 ? -3.774 -0.405 8.887 1.00 0.00 ? 19 ARG A HD3 10 ATOM 13084 H HE . ARG A 1 19 ? -5.856 -1.440 10.287 1.00 0.00 ? 19 ARG A HE 10 ATOM 13085 H HH11 . ARG A 1 19 ? -2.394 -1.563 10.649 1.00 0.00 ? 19 ARG A HH11 10 ATOM 13086 H HH12 . ARG A 1 19 ? -2.449 -1.684 12.376 1.00 0.00 ? 19 ARG A HH12 10 ATOM 13087 H HH21 . ARG A 1 19 ? -5.940 -1.600 12.561 1.00 0.00 ? 19 ARG A HH21 10 ATOM 13088 H HH22 . ARG A 1 19 ? -4.465 -1.706 13.464 1.00 0.00 ? 19 ARG A HH22 10 ATOM 13089 N N . LEU A 1 20 ? -3.254 -0.257 3.786 1.00 0.00 ? 20 LEU A N 10 ATOM 13090 C CA . LEU A 1 20 ? -2.375 -0.355 2.632 1.00 0.00 ? 20 LEU A CA 10 ATOM 13091 C C . LEU A 1 20 ? -1.452 0.854 2.573 1.00 0.00 ? 20 LEU A C 10 ATOM 13092 O O . LEU A 1 20 ? -0.264 0.726 2.277 1.00 0.00 ? 20 LEU A O 10 ATOM 13093 C CB . LEU A 1 20 ? -3.190 -0.457 1.339 1.00 0.00 ? 20 LEU A CB 10 ATOM 13094 C CG . LEU A 1 20 ? -3.430 -1.882 0.829 1.00 0.00 ? 20 LEU A CG 10 ATOM 13095 C CD1 . LEU A 1 20 ? -3.799 -2.813 1.973 1.00 0.00 ? 20 LEU A CD1 10 ATOM 13096 C CD2 . LEU A 1 20 ? -4.516 -1.887 -0.236 1.00 0.00 ? 20 LEU A CD2 10 ATOM 13097 H H . LEU A 1 20 ? -4.201 -0.040 3.650 1.00 0.00 ? 20 LEU A H 10 ATOM 13098 H HA . LEU A 1 20 ? -1.776 -1.248 2.744 1.00 0.00 ? 20 LEU A HA 10 ATOM 13099 H HB2 . LEU A 1 20 ? -4.148 0.011 1.505 1.00 0.00 ? 20 LEU A HB2 10 ATOM 13100 H HB3 . LEU A 1 20 ? -2.671 0.092 0.571 1.00 0.00 ? 20 LEU A HB3 10 ATOM 13101 H HG . LEU A 1 20 ? -2.520 -2.252 0.379 1.00 0.00 ? 20 LEU A HG 10 ATOM 13102 H HD11 . LEU A 1 20 ? -3.942 -2.237 2.875 1.00 0.00 ? 20 LEU A HD11 10 ATOM 13103 H HD12 . LEU A 1 20 ? -4.714 -3.336 1.731 1.00 0.00 ? 20 LEU A HD12 10 ATOM 13104 H HD13 . LEU A 1 20 ? -3.005 -3.529 2.125 1.00 0.00 ? 20 LEU A HD13 10 ATOM 13105 H HD21 . LEU A 1 20 ? -5.372 -1.333 0.120 1.00 0.00 ? 20 LEU A HD21 10 ATOM 13106 H HD22 . LEU A 1 20 ? -4.140 -1.426 -1.138 1.00 0.00 ? 20 LEU A HD22 10 ATOM 13107 H HD23 . LEU A 1 20 ? -4.809 -2.905 -0.447 1.00 0.00 ? 20 LEU A HD23 10 ATOM 13108 N N . GLN A 1 21 ? -2.007 2.026 2.867 1.00 0.00 ? 21 GLN A N 10 ATOM 13109 C CA . GLN A 1 21 ? -1.231 3.260 2.858 1.00 0.00 ? 21 GLN A CA 10 ATOM 13110 C C . GLN A 1 21 ? -0.110 3.196 3.889 1.00 0.00 ? 21 GLN A C 10 ATOM 13111 O O . GLN A 1 21 ? 1.041 3.517 3.592 1.00 0.00 ? 21 GLN A O 10 ATOM 13112 C CB . GLN A 1 21 ? -2.136 4.460 3.142 1.00 0.00 ? 21 GLN A CB 10 ATOM 13113 C CG . GLN A 1 21 ? -1.563 5.782 2.658 1.00 0.00 ? 21 GLN A CG 10 ATOM 13114 C CD . GLN A 1 21 ? -2.581 6.905 2.693 1.00 0.00 ? 21 GLN A CD 10 ATOM 13115 O OE1 . GLN A 1 21 ? -3.127 7.296 1.660 1.00 0.00 ? 21 GLN A OE1 10 ATOM 13116 N NE2 . GLN A 1 21 ? -2.842 7.430 3.884 1.00 0.00 ? 21 GLN A NE2 10 ATOM 13117 H H . GLN A 1 21 ? -2.960 2.062 3.101 1.00 0.00 ? 21 GLN A H 10 ATOM 13118 H HA . GLN A 1 21 ? -0.796 3.371 1.876 1.00 0.00 ? 21 GLN A HA 10 ATOM 13119 H HB2 . GLN A 1 21 ? -3.086 4.303 2.653 1.00 0.00 ? 21 GLN A HB2 10 ATOM 13120 H HB3 . GLN A 1 21 ? -2.297 4.530 4.207 1.00 0.00 ? 21 GLN A HB3 10 ATOM 13121 H HG2 . GLN A 1 21 ? -0.731 6.053 3.290 1.00 0.00 ? 21 GLN A HG2 10 ATOM 13122 H HG3 . GLN A 1 21 ? -1.218 5.660 1.642 1.00 0.00 ? 21 GLN A HG3 10 ATOM 13123 H HE21 . GLN A 1 21 ? -2.370 7.069 4.663 1.00 0.00 ? 21 GLN A HE21 10 ATOM 13124 H HE22 . GLN A 1 21 ? -3.497 8.159 3.936 1.00 0.00 ? 21 GLN A HE22 10 ATOM 13125 N N . LYS A 1 22 ? -0.452 2.773 5.104 1.00 0.00 ? 22 LYS A N 10 ATOM 13126 C CA . LYS A 1 22 ? 0.530 2.664 6.175 1.00 0.00 ? 22 LYS A CA 10 ATOM 13127 C C . LYS A 1 22 ? 1.591 1.626 5.826 1.00 0.00 ? 22 LYS A C 10 ATOM 13128 O O . LYS A 1 22 ? 2.751 1.750 6.220 1.00 0.00 ? 22 LYS A O 10 ATOM 13129 C CB . LYS A 1 22 ? -0.157 2.288 7.490 1.00 0.00 ? 22 LYS A CB 10 ATOM 13130 C CG . LYS A 1 22 ? 0.560 2.815 8.722 1.00 0.00 ? 22 LYS A CG 10 ATOM 13131 C CD . LYS A 1 22 ? 0.288 1.945 9.939 1.00 0.00 ? 22 LYS A CD 10 ATOM 13132 C CE . LYS A 1 22 ? 1.320 0.838 10.074 1.00 0.00 ? 22 LYS A CE 10 ATOM 13133 N NZ . LYS A 1 22 ? 1.032 -0.051 11.234 1.00 0.00 ? 22 LYS A NZ 10 ATOM 13134 H H . LYS A 1 22 ? -1.386 2.527 5.281 1.00 0.00 ? 22 LYS A H 10 ATOM 13135 H HA . LYS A 1 22 ? 1.007 3.626 6.289 1.00 0.00 ? 22 LYS A HA 10 ATOM 13136 H HB2 . LYS A 1 22 ? -1.160 2.688 7.485 1.00 0.00 ? 22 LYS A HB2 10 ATOM 13137 H HB3 . LYS A 1 22 ? -0.208 1.212 7.561 1.00 0.00 ? 22 LYS A HB3 10 ATOM 13138 H HG2 . LYS A 1 22 ? 1.623 2.826 8.531 1.00 0.00 ? 22 LYS A HG2 10 ATOM 13139 H HG3 . LYS A 1 22 ? 0.218 3.819 8.924 1.00 0.00 ? 22 LYS A HG3 10 ATOM 13140 H HD2 . LYS A 1 22 ? 0.318 2.562 10.825 1.00 0.00 ? 22 LYS A HD2 10 ATOM 13141 H HD3 . LYS A 1 22 ? -0.693 1.502 9.840 1.00 0.00 ? 22 LYS A HD3 10 ATOM 13142 H HE2 . LYS A 1 22 ? 1.314 0.247 9.170 1.00 0.00 ? 22 LYS A HE2 10 ATOM 13143 H HE3 . LYS A 1 22 ? 2.293 1.284 10.206 1.00 0.00 ? 22 LYS A HE3 10 ATOM 13144 H HZ1 . LYS A 1 22 ? 0.008 -0.087 11.412 1.00 0.00 ? 22 LYS A HZ1 10 ATOM 13145 H HZ2 . LYS A 1 22 ? 1.372 -1.015 11.040 1.00 0.00 ? 22 LYS A HZ2 10 ATOM 13146 H HZ3 . LYS A 1 22 ? 1.509 0.307 12.086 1.00 0.00 ? 22 LYS A HZ3 10 ATOM 13147 N N . GLU A 1 23 ? 1.184 0.602 5.083 1.00 0.00 ? 23 GLU A N 10 ATOM 13148 C CA . GLU A 1 23 ? 2.095 -0.460 4.678 1.00 0.00 ? 23 GLU A CA 10 ATOM 13149 C C . GLU A 1 23 ? 3.124 0.056 3.677 1.00 0.00 ? 23 GLU A C 10 ATOM 13150 O O . GLU A 1 23 ? 4.282 -0.365 3.690 1.00 0.00 ? 23 GLU A O 10 ATOM 13151 C CB . GLU A 1 23 ? 1.315 -1.625 4.065 1.00 0.00 ? 23 GLU A CB 10 ATOM 13152 C CG . GLU A 1 23 ? 2.003 -2.971 4.226 1.00 0.00 ? 23 GLU A CG 10 ATOM 13153 C CD . GLU A 1 23 ? 3.483 -2.913 3.902 1.00 0.00 ? 23 GLU A CD 10 ATOM 13154 O OE1 . GLU A 1 23 ? 3.836 -3.042 2.711 1.00 0.00 ? 23 GLU A OE1 10 ATOM 13155 O OE2 . GLU A 1 23 ? 4.289 -2.737 4.840 1.00 0.00 ? 23 GLU A OE2 10 ATOM 13156 H H . GLU A 1 23 ? 0.246 0.560 4.800 1.00 0.00 ? 23 GLU A H 10 ATOM 13157 H HA . GLU A 1 23 ? 2.611 -0.809 5.559 1.00 0.00 ? 23 GLU A HA 10 ATOM 13158 H HB2 . GLU A 1 23 ? 0.345 -1.682 4.539 1.00 0.00 ? 23 GLU A HB2 10 ATOM 13159 H HB3 . GLU A 1 23 ? 1.179 -1.438 3.010 1.00 0.00 ? 23 GLU A HB3 10 ATOM 13160 H HG2 . GLU A 1 23 ? 1.887 -3.301 5.247 1.00 0.00 ? 23 GLU A HG2 10 ATOM 13161 H HG3 . GLU A 1 23 ? 1.533 -3.683 3.564 1.00 0.00 ? 23 GLU A HG3 10 ATOM 13162 N N . ILE A 1 24 ? 2.700 0.974 2.814 1.00 0.00 ? 24 ILE A N 10 ATOM 13163 C CA . ILE A 1 24 ? 3.597 1.541 1.813 1.00 0.00 ? 24 ILE A CA 10 ATOM 13164 C C . ILE A 1 24 ? 4.685 2.375 2.493 1.00 0.00 ? 24 ILE A C 10 ATOM 13165 O O . ILE A 1 24 ? 5.857 2.315 2.120 1.00 0.00 ? 24 ILE A O 10 ATOM 13166 C CB . ILE A 1 24 ? 2.834 2.383 0.738 1.00 0.00 ? 24 ILE A CB 10 ATOM 13167 C CG1 . ILE A 1 24 ? 2.779 3.878 1.090 1.00 0.00 ? 24 ILE A CG1 10 ATOM 13168 C CG2 . ILE A 1 24 ? 1.422 1.850 0.536 1.00 0.00 ? 24 ILE A CG2 10 ATOM 13169 C CD1 . ILE A 1 24 ? 4.049 4.619 0.730 1.00 0.00 ? 24 ILE A CD1 10 ATOM 13170 H H . ILE A 1 24 ? 1.769 1.276 2.854 1.00 0.00 ? 24 ILE A H 10 ATOM 13171 H HA . ILE A 1 24 ? 4.076 0.713 1.307 1.00 0.00 ? 24 ILE A HA 10 ATOM 13172 H HB . ILE A 1 24 ? 3.360 2.268 -0.199 1.00 0.00 ? 24 ILE A HB 10 ATOM 13173 H HG12 . ILE A 1 24 ? 1.962 4.339 0.556 1.00 0.00 ? 24 ILE A HG12 10 ATOM 13174 H HG13 . ILE A 1 24 ? 2.619 3.987 2.152 1.00 0.00 ? 24 ILE A HG13 10 ATOM 13175 H HG21 . ILE A 1 24 ? 1.406 0.788 0.730 1.00 0.00 ? 24 ILE A HG21 10 ATOM 13176 H HG22 . ILE A 1 24 ? 0.748 2.350 1.215 1.00 0.00 ? 24 ILE A HG22 10 ATOM 13177 H HG23 . ILE A 1 24 ? 1.110 2.036 -0.481 1.00 0.00 ? 24 ILE A HG23 10 ATOM 13178 H HD11 . ILE A 1 24 ? 4.748 3.933 0.270 1.00 0.00 ? 24 ILE A HD11 10 ATOM 13179 H HD12 . ILE A 1 24 ? 3.817 5.414 0.036 1.00 0.00 ? 24 ILE A HD12 10 ATOM 13180 H HD13 . ILE A 1 24 ? 4.488 5.036 1.624 1.00 0.00 ? 24 ILE A HD13 10 ATOM 13181 N N . GLU A 1 25 ? 4.280 3.146 3.500 1.00 0.00 ? 25 GLU A N 10 ATOM 13182 C CA . GLU A 1 25 ? 5.211 3.986 4.241 1.00 0.00 ? 25 GLU A CA 10 ATOM 13183 C C . GLU A 1 25 ? 6.301 3.137 4.882 1.00 0.00 ? 25 GLU A C 10 ATOM 13184 O O . GLU A 1 25 ? 7.482 3.485 4.833 1.00 0.00 ? 25 GLU A O 10 ATOM 13185 C CB . GLU A 1 25 ? 4.468 4.784 5.316 1.00 0.00 ? 25 GLU A CB 10 ATOM 13186 C CG . GLU A 1 25 ? 4.940 6.222 5.441 1.00 0.00 ? 25 GLU A CG 10 ATOM 13187 C CD . GLU A 1 25 ? 3.790 7.206 5.543 1.00 0.00 ? 25 GLU A CD 10 ATOM 13188 O OE1 . GLU A 1 25 ? 2.768 6.860 6.171 1.00 0.00 ? 25 GLU A OE1 10 ATOM 13189 O OE2 . GLU A 1 25 ? 3.914 8.321 4.994 1.00 0.00 ? 25 GLU A OE2 10 ATOM 13190 H H . GLU A 1 25 ? 3.331 3.144 3.751 1.00 0.00 ? 25 GLU A H 10 ATOM 13191 H HA . GLU A 1 25 ? 5.666 4.674 3.544 1.00 0.00 ? 25 GLU A HA 10 ATOM 13192 H HB2 . GLU A 1 25 ? 3.414 4.792 5.077 1.00 0.00 ? 25 GLU A HB2 10 ATOM 13193 H HB3 . GLU A 1 25 ? 4.609 4.296 6.269 1.00 0.00 ? 25 GLU A HB3 10 ATOM 13194 H HG2 . GLU A 1 25 ? 5.549 6.312 6.329 1.00 0.00 ? 25 GLU A HG2 10 ATOM 13195 H HG3 . GLU A 1 25 ? 5.532 6.471 4.572 1.00 0.00 ? 25 GLU A HG3 10 ATOM 13196 N N . ARG A 1 26 ? 5.899 2.019 5.476 1.00 0.00 ? 26 ARG A N 10 ATOM 13197 C CA . ARG A 1 26 ? 6.845 1.115 6.118 1.00 0.00 ? 26 ARG A CA 10 ATOM 13198 C C . ARG A 1 26 ? 7.923 0.688 5.130 1.00 0.00 ? 26 ARG A C 10 ATOM 13199 O O . ARG A 1 26 ? 9.116 0.753 5.429 1.00 0.00 ? 26 ARG A O 10 ATOM 13200 C CB . ARG A 1 26 ? 6.119 -0.115 6.665 1.00 0.00 ? 26 ARG A CB 10 ATOM 13201 C CG . ARG A 1 26 ? 6.321 -0.327 8.157 1.00 0.00 ? 26 ARG A CG 10 ATOM 13202 C CD . ARG A 1 26 ? 5.162 -1.095 8.772 1.00 0.00 ? 26 ARG A CD 10 ATOM 13203 N NE . ARG A 1 26 ? 5.618 -2.103 9.725 1.00 0.00 ? 26 ARG A NE 10 ATOM 13204 C CZ . ARG A 1 26 ? 4.819 -2.700 10.604 1.00 0.00 ? 26 ARG A CZ 10 ATOM 13205 N NH1 . ARG A 1 26 ? 3.531 -2.391 10.649 1.00 0.00 ? 26 ARG A NH1 10 ATOM 13206 N NH2 . ARG A 1 26 ? 5.309 -3.606 11.439 1.00 0.00 ? 26 ARG A NH2 10 ATOM 13207 H H . ARG A 1 26 ? 4.944 1.793 5.477 1.00 0.00 ? 26 ARG A H 10 ATOM 13208 H HA . ARG A 1 26 ? 7.309 1.645 6.936 1.00 0.00 ? 26 ARG A HA 10 ATOM 13209 H HB2 . ARG A 1 26 ? 5.060 -0.007 6.479 1.00 0.00 ? 26 ARG A HB2 10 ATOM 13210 H HB3 . ARG A 1 26 ? 6.479 -0.992 6.148 1.00 0.00 ? 26 ARG A HB3 10 ATOM 13211 H HG2 . ARG A 1 26 ? 7.232 -0.884 8.312 1.00 0.00 ? 26 ARG A HG2 10 ATOM 13212 H HG3 . ARG A 1 26 ? 6.399 0.637 8.640 1.00 0.00 ? 26 ARG A HG3 10 ATOM 13213 H HD2 . ARG A 1 26 ? 4.515 -0.398 9.283 1.00 0.00 ? 26 ARG A HD2 10 ATOM 13214 H HD3 . ARG A 1 26 ? 4.612 -1.584 7.982 1.00 0.00 ? 26 ARG A HD3 10 ATOM 13215 H HE . ARG A 1 26 ? 6.567 -2.345 9.710 1.00 0.00 ? 26 ARG A HE 10 ATOM 13216 H HH11 . ARG A 1 26 ? 3.158 -1.708 10.020 1.00 0.00 ? 26 ARG A HH11 10 ATOM 13217 H HH12 . ARG A 1 26 ? 2.931 -2.842 11.309 1.00 0.00 ? 26 ARG A HH12 10 ATOM 13218 H HH21 . ARG A 1 26 ? 6.281 -3.842 11.407 1.00 0.00 ? 26 ARG A HH21 10 ATOM 13219 H HH22 . ARG A 1 26 ? 4.708 -4.055 12.099 1.00 0.00 ? 26 ARG A HH22 10 ATOM 13220 N N . HIS A 1 27 ? 7.494 0.257 3.948 1.00 0.00 ? 27 HIS A N 10 ATOM 13221 C CA . HIS A 1 27 ? 8.423 -0.173 2.911 1.00 0.00 ? 27 HIS A CA 10 ATOM 13222 C C . HIS A 1 27 ? 9.324 0.982 2.483 1.00 0.00 ? 27 HIS A C 10 ATOM 13223 O O . HIS A 1 27 ? 10.439 0.770 2.006 1.00 0.00 ? 27 HIS A O 10 ATOM 13224 C CB . HIS A 1 27 ? 7.658 -0.715 1.702 1.00 0.00 ? 27 HIS A CB 10 ATOM 13225 C CG . HIS A 1 27 ? 7.914 -2.165 1.432 1.00 0.00 ? 27 HIS A CG 10 ATOM 13226 N ND1 . HIS A 1 27 ? 9.032 -2.621 0.765 1.00 0.00 ? 27 HIS A ND1 10 ATOM 13227 C CD2 . HIS A 1 27 ? 7.189 -3.266 1.745 1.00 0.00 ? 27 HIS A CD2 10 ATOM 13228 C CE1 . HIS A 1 27 ? 8.982 -3.938 0.678 1.00 0.00 ? 27 HIS A CE1 10 ATOM 13229 N NE2 . HIS A 1 27 ? 7.876 -4.353 1.266 1.00 0.00 ? 27 HIS A NE2 10 ATOM 13230 H H . HIS A 1 27 ? 6.530 0.233 3.768 1.00 0.00 ? 27 HIS A H 10 ATOM 13231 H HA . HIS A 1 27 ? 9.038 -0.961 3.321 1.00 0.00 ? 27 HIS A HA 10 ATOM 13232 H HB2 . HIS A 1 27 ? 6.599 -0.590 1.871 1.00 0.00 ? 27 HIS A HB2 10 ATOM 13233 H HB3 . HIS A 1 27 ? 7.946 -0.156 0.823 1.00 0.00 ? 27 HIS A HB3 10 ATOM 13234 H HD1 . HIS A 1 27 ? 9.752 -2.062 0.408 1.00 0.00 ? 27 HIS A HD1 10 ATOM 13235 H HD2 . HIS A 1 27 ? 6.247 -3.283 2.274 1.00 0.00 ? 27 HIS A HD2 10 ATOM 13236 H HE1 . HIS A 1 27 ? 9.723 -4.569 0.208 1.00 0.00 ? 27 HIS A HE1 10 ATOM 13237 H HE2 . HIS A 1 27 ? 7.593 -5.287 1.345 1.00 0.00 ? 27 HIS A HE2 10 ATOM 13238 N N . LYS A 1 28 ? 8.830 2.205 2.658 1.00 0.00 ? 28 LYS A N 10 ATOM 13239 C CA . LYS A 1 28 ? 9.588 3.396 2.294 1.00 0.00 ? 28 LYS A CA 10 ATOM 13240 C C . LYS A 1 28 ? 10.712 3.651 3.290 1.00 0.00 ? 28 LYS A C 10 ATOM 13241 O O . LYS A 1 28 ? 11.779 4.146 2.926 1.00 0.00 ? 28 LYS A O 10 ATOM 13242 C CB . LYS A 1 28 ? 8.662 4.614 2.232 1.00 0.00 ? 28 LYS A CB 10 ATOM 13243 C CG . LYS A 1 28 ? 9.224 5.765 1.414 1.00 0.00 ? 28 LYS A CG 10 ATOM 13244 C CD . LYS A 1 28 ? 8.925 7.107 2.064 1.00 0.00 ? 28 LYS A CD 10 ATOM 13245 C CE . LYS A 1 28 ? 9.963 7.459 3.117 1.00 0.00 ? 28 LYS A CE 10 ATOM 13246 N NZ . LYS A 1 28 ? 10.697 8.710 2.777 1.00 0.00 ? 28 LYS A NZ 10 ATOM 13247 H H . LYS A 1 28 ? 7.936 2.308 3.044 1.00 0.00 ? 28 LYS A H 10 ATOM 13248 H HA . LYS A 1 28 ? 10.018 3.230 1.318 1.00 0.00 ? 28 LYS A HA 10 ATOM 13249 H HB2 . LYS A 1 28 ? 7.721 4.314 1.794 1.00 0.00 ? 28 LYS A HB2 10 ATOM 13250 H HB3 . LYS A 1 28 ? 8.485 4.967 3.237 1.00 0.00 ? 28 LYS A HB3 10 ATOM 13251 H HG2 . LYS A 1 28 ? 10.294 5.648 1.332 1.00 0.00 ? 28 LYS A HG2 10 ATOM 13252 H HG3 . LYS A 1 28 ? 8.780 5.746 0.429 1.00 0.00 ? 28 LYS A HG3 10 ATOM 13253 H HD2 . LYS A 1 28 ? 8.925 7.872 1.303 1.00 0.00 ? 28 LYS A HD2 10 ATOM 13254 H HD3 . LYS A 1 28 ? 7.952 7.061 2.531 1.00 0.00 ? 28 LYS A HD3 10 ATOM 13255 H HE2 . LYS A 1 28 ? 9.464 7.592 4.065 1.00 0.00 ? 28 LYS A HE2 10 ATOM 13256 H HE3 . LYS A 1 28 ? 10.670 6.646 3.194 1.00 0.00 ? 28 LYS A HE3 10 ATOM 13257 H HZ1 . LYS A 1 28 ? 10.652 8.883 1.753 1.00 0.00 ? 28 LYS A HZ1 10 ATOM 13258 H HZ2 . LYS A 1 28 ? 10.272 9.520 3.274 1.00 0.00 ? 28 LYS A HZ2 10 ATOM 13259 H HZ3 . LYS A 1 28 ? 11.694 8.628 3.060 1.00 0.00 ? 28 LYS A HZ3 10 ATOM 13260 N N . GLN A 1 29 ? 10.465 3.309 4.550 1.00 0.00 ? 29 GLN A N 10 ATOM 13261 C CA . GLN A 1 29 ? 11.456 3.500 5.602 1.00 0.00 ? 29 GLN A CA 10 ATOM 13262 C C . GLN A 1 29 ? 12.581 2.480 5.477 1.00 0.00 ? 29 GLN A C 10 ATOM 13263 O O . GLN A 1 29 ? 13.734 2.767 5.802 1.00 0.00 ? 29 GLN A O 10 ATOM 13264 C CB . GLN A 1 29 ? 10.799 3.385 6.977 1.00 0.00 ? 29 GLN A CB 10 ATOM 13265 C CG . GLN A 1 29 ? 11.610 4.018 8.095 1.00 0.00 ? 29 GLN A CG 10 ATOM 13266 C CD . GLN A 1 29 ? 11.111 5.401 8.466 1.00 0.00 ? 29 GLN A CD 10 ATOM 13267 O OE1 . GLN A 1 29 ? 10.086 5.859 7.960 1.00 0.00 ? 29 GLN A OE1 10 ATOM 13268 N NE2 . GLN A 1 29 ? 11.834 6.074 9.353 1.00 0.00 ? 29 GLN A NE2 10 ATOM 13269 H H . GLN A 1 29 ? 9.596 2.920 4.779 1.00 0.00 ? 29 GLN A H 10 ATOM 13270 H HA . GLN A 1 29 ? 11.871 4.491 5.492 1.00 0.00 ? 29 GLN A HA 10 ATOM 13271 H HB2 . GLN A 1 29 ? 9.833 3.868 6.945 1.00 0.00 ? 29 GLN A HB2 10 ATOM 13272 H HB3 . GLN A 1 29 ? 10.660 2.339 7.211 1.00 0.00 ? 29 GLN A HB3 10 ATOM 13273 H HG2 . GLN A 1 29 ? 11.553 3.386 8.968 1.00 0.00 ? 29 GLN A HG2 10 ATOM 13274 H HG3 . GLN A 1 29 ? 12.639 4.097 7.775 1.00 0.00 ? 29 GLN A HG3 10 ATOM 13275 H HE21 . GLN A 1 29 ? 12.639 5.646 9.714 1.00 0.00 ? 29 GLN A HE21 10 ATOM 13276 H HE22 . GLN A 1 29 ? 11.534 6.970 9.612 1.00 0.00 ? 29 GLN A HE22 10 ATOM 13277 N N . SER A 1 30 ? 12.239 1.284 5.007 1.00 0.00 ? 30 SER A N 10 ATOM 13278 C CA . SER A 1 30 ? 13.221 0.220 4.841 1.00 0.00 ? 30 SER A CA 10 ATOM 13279 C C . SER A 1 30 ? 14.104 0.473 3.623 1.00 0.00 ? 30 SER A C 10 ATOM 13280 O O . SER A 1 30 ? 15.312 0.243 3.665 1.00 0.00 ? 30 SER A O 10 ATOM 13281 C CB . SER A 1 30 ? 12.521 -1.133 4.705 1.00 0.00 ? 30 SER A CB 10 ATOM 13282 O OG . SER A 1 30 ? 12.436 -1.792 5.957 1.00 0.00 ? 30 SER A OG 10 ATOM 13283 H H . SER A 1 30 ? 11.304 1.115 4.767 1.00 0.00 ? 30 SER A H 10 ATOM 13284 H HA . SER A 1 30 ? 13.844 0.206 5.723 1.00 0.00 ? 30 SER A HA 10 ATOM 13285 H HB2 . SER A 1 30 ? 11.522 -0.982 4.323 1.00 0.00 ? 30 SER A HB2 10 ATOM 13286 H HB3 . SER A 1 30 ? 13.078 -1.756 4.021 1.00 0.00 ? 30 SER A HB3 10 ATOM 13287 H HG . SER A 1 30 ? 11.530 -2.071 6.110 1.00 0.00 ? 30 SER A HG 10 ATOM 13288 N N . ILE A 1 31 ? 13.496 0.943 2.539 1.00 0.00 ? 31 ILE A N 10 ATOM 13289 C CA . ILE A 1 31 ? 14.235 1.220 1.317 1.00 0.00 ? 31 ILE A CA 10 ATOM 13290 C C . ILE A 1 31 ? 15.018 2.526 1.432 1.00 0.00 ? 31 ILE A C 10 ATOM 13291 O O . ILE A 1 31 ? 16.026 2.720 0.753 1.00 0.00 ? 31 ILE A O 10 ATOM 13292 C CB . ILE A 1 31 ? 13.294 1.268 0.096 1.00 0.00 ? 31 ILE A CB 10 ATOM 13293 C CG1 . ILE A 1 31 ? 14.109 1.110 -1.206 1.00 0.00 ? 31 ILE A CG1 10 ATOM 13294 C CG2 . ILE A 1 31 ? 12.437 2.535 0.115 1.00 0.00 ? 31 ILE A CG2 10 ATOM 13295 C CD1 . ILE A 1 31 ? 14.253 2.359 -2.054 1.00 0.00 ? 31 ILE A CD1 10 ATOM 13296 H H . ILE A 1 31 ? 12.529 1.107 2.562 1.00 0.00 ? 31 ILE A H 10 ATOM 13297 H HA . ILE A 1 31 ? 14.936 0.410 1.168 1.00 0.00 ? 31 ILE A HA 10 ATOM 13298 H HB . ILE A 1 31 ? 12.622 0.429 0.178 1.00 0.00 ? 31 ILE A HB 10 ATOM 13299 H HG12 . ILE A 1 31 ? 15.104 0.782 -0.953 1.00 0.00 ? 31 ILE A HG12 10 ATOM 13300 H HG13 . ILE A 1 31 ? 13.640 0.353 -1.816 1.00 0.00 ? 31 ILE A HG13 10 ATOM 13301 H HG21 . ILE A 1 31 ? 12.093 2.721 1.122 1.00 0.00 ? 31 ILE A HG21 10 ATOM 13302 H HG22 . ILE A 1 31 ? 13.025 3.375 -0.223 1.00 0.00 ? 31 ILE A HG22 10 ATOM 13303 H HG23 . ILE A 1 31 ? 11.587 2.405 -0.537 1.00 0.00 ? 31 ILE A HG23 10 ATOM 13304 H HD11 . ILE A 1 31 ? 13.293 2.845 -2.144 1.00 0.00 ? 31 ILE A HD11 10 ATOM 13305 H HD12 . ILE A 1 31 ? 14.957 3.031 -1.587 1.00 0.00 ? 31 ILE A HD12 10 ATOM 13306 H HD13 . ILE A 1 31 ? 14.611 2.085 -3.035 1.00 0.00 ? 31 ILE A HD13 10 ATOM 13307 N N . LYS A 1 32 ? 14.552 3.412 2.306 1.00 0.00 ? 32 LYS A N 10 ATOM 13308 C CA . LYS A 1 32 ? 15.214 4.693 2.520 1.00 0.00 ? 32 LYS A CA 10 ATOM 13309 C C . LYS A 1 32 ? 16.405 4.528 3.457 1.00 0.00 ? 32 LYS A C 10 ATOM 13310 O O . LYS A 1 32 ? 17.405 5.237 3.339 1.00 0.00 ? 32 LYS A O 10 ATOM 13311 C CB . LYS A 1 32 ? 14.231 5.713 3.098 1.00 0.00 ? 32 LYS A CB 10 ATOM 13312 C CG . LYS A 1 32 ? 13.449 6.473 2.040 1.00 0.00 ? 32 LYS A CG 10 ATOM 13313 C CD . LYS A 1 32 ? 14.124 7.788 1.684 1.00 0.00 ? 32 LYS A CD 10 ATOM 13314 C CE . LYS A 1 32 ? 13.812 8.206 0.256 1.00 0.00 ? 32 LYS A CE 10 ATOM 13315 N NZ . LYS A 1 32 ? 14.689 9.319 -0.201 1.00 0.00 ? 32 LYS A NZ 10 ATOM 13316 H H . LYS A 1 32 ? 13.749 3.197 2.826 1.00 0.00 ? 32 LYS A H 10 ATOM 13317 H HA . LYS A 1 32 ? 15.569 5.049 1.563 1.00 0.00 ? 32 LYS A HA 10 ATOM 13318 H HB2 . LYS A 1 32 ? 13.527 5.197 3.734 1.00 0.00 ? 32 LYS A HB2 10 ATOM 13319 H HB3 . LYS A 1 32 ? 14.781 6.428 3.691 1.00 0.00 ? 32 LYS A HB3 10 ATOM 13320 H HG2 . LYS A 1 32 ? 13.378 5.865 1.151 1.00 0.00 ? 32 LYS A HG2 10 ATOM 13321 H HG3 . LYS A 1 32 ? 12.457 6.679 2.418 1.00 0.00 ? 32 LYS A HG3 10 ATOM 13322 H HD2 . LYS A 1 32 ? 13.775 8.555 2.358 1.00 0.00 ? 32 LYS A HD2 10 ATOM 13323 H HD3 . LYS A 1 32 ? 15.193 7.672 1.790 1.00 0.00 ? 32 LYS A HD3 10 ATOM 13324 H HE2 . LYS A 1 32 ? 13.955 7.356 -0.394 1.00 0.00 ? 32 LYS A HE2 10 ATOM 13325 H HE3 . LYS A 1 32 ? 12.781 8.527 0.207 1.00 0.00 ? 32 LYS A HE3 10 ATOM 13326 H HZ1 . LYS A 1 32 ? 14.985 9.898 0.610 1.00 0.00 ? 32 LYS A HZ1 10 ATOM 13327 H HZ2 . LYS A 1 32 ? 15.535 8.938 -0.668 1.00 0.00 ? 32 LYS A HZ2 10 ATOM 13328 H HZ3 . LYS A 1 32 ? 14.176 9.924 -0.875 1.00 0.00 ? 32 LYS A HZ3 10 ATOM 13329 N N . LYS A 1 33 ? 16.291 3.583 4.386 1.00 0.00 ? 33 LYS A N 10 ATOM 13330 C CA . LYS A 1 33 ? 17.359 3.320 5.342 1.00 0.00 ? 33 LYS A CA 10 ATOM 13331 C C . LYS A 1 33 ? 18.463 2.489 4.699 1.00 0.00 ? 33 LYS A C 10 ATOM 13332 O O . LYS A 1 33 ? 19.637 2.624 5.044 1.00 0.00 ? 33 LYS A O 10 ATOM 13333 C CB . LYS A 1 33 ? 16.805 2.593 6.570 1.00 0.00 ? 33 LYS A CB 10 ATOM 13334 C CG . LYS A 1 33 ? 17.523 2.947 7.862 1.00 0.00 ? 33 LYS A CG 10 ATOM 13335 C CD . LYS A 1 33 ? 16.796 2.386 9.074 1.00 0.00 ? 33 LYS A CD 10 ATOM 13336 C CE . LYS A 1 33 ? 17.691 2.368 10.301 1.00 0.00 ? 33 LYS A CE 10 ATOM 13337 N NZ . LYS A 1 33 ? 16.973 1.865 11.505 1.00 0.00 ? 33 LYS A NZ 10 ATOM 13338 H H . LYS A 1 33 ? 15.469 3.049 4.427 1.00 0.00 ? 33 LYS A H 10 ATOM 13339 H HA . LYS A 1 33 ? 17.772 4.269 5.650 1.00 0.00 ? 33 LYS A HA 10 ATOM 13340 H HB2 . LYS A 1 33 ? 15.761 2.845 6.682 1.00 0.00 ? 33 LYS A HB2 10 ATOM 13341 H HB3 . LYS A 1 33 ? 16.895 1.528 6.414 1.00 0.00 ? 33 LYS A HB3 10 ATOM 13342 H HG2 . LYS A 1 33 ? 18.521 2.538 7.833 1.00 0.00 ? 33 LYS A HG2 10 ATOM 13343 H HG3 . LYS A 1 33 ? 17.574 4.023 7.951 1.00 0.00 ? 33 LYS A HG3 10 ATOM 13344 H HD2 . LYS A 1 33 ? 15.931 3.000 9.279 1.00 0.00 ? 33 LYS A HD2 10 ATOM 13345 H HD3 . LYS A 1 33 ? 16.479 1.377 8.855 1.00 0.00 ? 33 LYS A HD3 10 ATOM 13346 H HE2 . LYS A 1 33 ? 18.537 1.727 10.105 1.00 0.00 ? 33 LYS A HE2 10 ATOM 13347 H HE3 . LYS A 1 33 ? 18.038 3.372 10.493 1.00 0.00 ? 33 LYS A HE3 10 ATOM 13348 H HZ1 . LYS A 1 33 ? 16.459 0.991 11.276 1.00 0.00 ? 33 LYS A HZ1 10 ATOM 13349 H HZ2 . LYS A 1 33 ? 17.651 1.666 12.269 1.00 0.00 ? 33 LYS A HZ2 10 ATOM 13350 H HZ3 . LYS A 1 33 ? 16.292 2.576 11.838 1.00 0.00 ? 33 LYS A HZ3 10 ATOM 13351 N N . LEU A 1 34 ? 18.078 1.632 3.758 1.00 0.00 ? 34 LEU A N 10 ATOM 13352 C CA . LEU A 1 34 ? 19.034 0.782 3.062 1.00 0.00 ? 34 LEU A CA 10 ATOM 13353 C C . LEU A 1 34 ? 19.787 1.576 2.001 1.00 0.00 ? 34 LEU A C 10 ATOM 13354 O O . LEU A 1 34 ? 20.964 1.328 1.744 1.00 0.00 ? 34 LEU A O 10 ATOM 13355 C CB . LEU A 1 34 ? 18.320 -0.406 2.416 1.00 0.00 ? 34 LEU A CB 10 ATOM 13356 C CG . LEU A 1 34 ? 18.116 -1.615 3.330 1.00 0.00 ? 34 LEU A CG 10 ATOM 13357 C CD1 . LEU A 1 34 ? 16.867 -2.383 2.928 1.00 0.00 ? 34 LEU A CD1 10 ATOM 13358 C CD2 . LEU A 1 34 ? 19.337 -2.523 3.289 1.00 0.00 ? 34 LEU A CD2 10 ATOM 13359 H H . LEU A 1 34 ? 17.127 1.573 3.526 1.00 0.00 ? 34 LEU A H 10 ATOM 13360 H HA . LEU A 1 34 ? 19.742 0.413 3.790 1.00 0.00 ? 34 LEU A HA 10 ATOM 13361 H HB2 . LEU A 1 34 ? 17.351 -0.073 2.072 1.00 0.00 ? 34 LEU A HB2 10 ATOM 13362 H HB3 . LEU A 1 34 ? 18.896 -0.724 1.560 1.00 0.00 ? 34 LEU A HB3 10 ATOM 13363 H HG . LEU A 1 34 ? 17.986 -1.274 4.345 1.00 0.00 ? 34 LEU A HG 10 ATOM 13364 H HD11 . LEU A 1 34 ? 16.081 -1.686 2.676 1.00 0.00 ? 34 LEU A HD11 10 ATOM 13365 H HD12 . LEU A 1 34 ? 17.085 -3.005 2.072 1.00 0.00 ? 34 LEU A HD12 10 ATOM 13366 H HD13 . LEU A 1 34 ? 16.545 -3.005 3.751 1.00 0.00 ? 34 LEU A HD13 10 ATOM 13367 H HD21 . LEU A 1 34 ? 20.223 -1.945 3.505 1.00 0.00 ? 34 LEU A HD21 10 ATOM 13368 H HD22 . LEU A 1 34 ? 19.229 -3.305 4.026 1.00 0.00 ? 34 LEU A HD22 10 ATOM 13369 H HD23 . LEU A 1 34 ? 19.425 -2.964 2.307 1.00 0.00 ? 34 LEU A HD23 10 ATOM 13370 N N . LYS A 1 35 ? 19.099 2.537 1.391 1.00 0.00 ? 35 LYS A N 10 ATOM 13371 C CA . LYS A 1 35 ? 19.704 3.371 0.359 1.00 0.00 ? 35 LYS A CA 10 ATOM 13372 C C . LYS A 1 35 ? 20.647 4.397 0.978 1.00 0.00 ? 35 LYS A C 10 ATOM 13373 O O . LYS A 1 35 ? 21.668 4.750 0.388 1.00 0.00 ? 35 LYS A O 10 ATOM 13374 C CB . LYS A 1 35 ? 18.620 4.081 -0.455 1.00 0.00 ? 35 LYS A CB 10 ATOM 13375 C CG . LYS A 1 35 ? 19.016 4.342 -1.898 1.00 0.00 ? 35 LYS A CG 10 ATOM 13376 C CD . LYS A 1 35 ? 18.717 5.775 -2.308 1.00 0.00 ? 35 LYS A CD 10 ATOM 13377 C CE . LYS A 1 35 ? 17.222 6.053 -2.306 1.00 0.00 ? 35 LYS A CE 10 ATOM 13378 N NZ . LYS A 1 35 ? 16.705 6.328 -3.675 1.00 0.00 ? 35 LYS A NZ 10 ATOM 13379 H H . LYS A 1 35 ? 18.163 2.689 1.640 1.00 0.00 ? 35 LYS A H 10 ATOM 13380 H HA . LYS A 1 35 ? 20.271 2.728 -0.297 1.00 0.00 ? 35 LYS A HA 10 ATOM 13381 H HB2 . LYS A 1 35 ? 17.728 3.473 -0.453 1.00 0.00 ? 35 LYS A HB2 10 ATOM 13382 H HB3 . LYS A 1 35 ? 18.399 5.029 0.013 1.00 0.00 ? 35 LYS A HB3 10 ATOM 13383 H HG2 . LYS A 1 35 ? 20.076 4.161 -2.009 1.00 0.00 ? 35 LYS A HG2 10 ATOM 13384 H HG3 . LYS A 1 35 ? 18.465 3.670 -2.540 1.00 0.00 ? 35 LYS A HG3 10 ATOM 13385 H HD2 . LYS A 1 35 ? 19.198 6.446 -1.614 1.00 0.00 ? 35 LYS A HD2 10 ATOM 13386 H HD3 . LYS A 1 35 ? 19.103 5.943 -3.302 1.00 0.00 ? 35 LYS A HD3 10 ATOM 13387 H HE2 . LYS A 1 35 ? 16.709 5.192 -1.903 1.00 0.00 ? 35 LYS A HE2 10 ATOM 13388 H HE3 . LYS A 1 35 ? 17.030 6.911 -1.678 1.00 0.00 ? 35 LYS A HE3 10 ATOM 13389 H HZ1 . LYS A 1 35 ? 17.229 7.119 -4.102 1.00 0.00 ? 35 LYS A HZ1 10 ATOM 13390 H HZ2 . LYS A 1 35 ? 16.818 5.486 -4.274 1.00 0.00 ? 35 LYS A HZ2 10 ATOM 13391 H HZ3 . LYS A 1 35 ? 15.696 6.577 -3.633 1.00 0.00 ? 35 LYS A HZ3 10 ATOM 13392 N N . GLN A 1 36 ? 20.300 4.871 2.170 1.00 0.00 ? 36 GLN A N 10 ATOM 13393 C CA . GLN A 1 36 ? 21.119 5.854 2.868 1.00 0.00 ? 36 GLN A CA 10 ATOM 13394 C C . GLN A 1 36 ? 22.289 5.180 3.576 1.00 0.00 ? 36 GLN A C 10 ATOM 13395 O O . GLN A 1 36 ? 23.331 5.795 3.801 1.00 0.00 ? 36 GLN A O 10 ATOM 13396 C CB . GLN A 1 36 ? 20.273 6.630 3.880 1.00 0.00 ? 36 GLN A CB 10 ATOM 13397 C CG . GLN A 1 36 ? 19.941 8.046 3.439 1.00 0.00 ? 36 GLN A CG 10 ATOM 13398 C CD . GLN A 1 36 ? 20.739 9.092 4.192 1.00 0.00 ? 36 GLN A CD 10 ATOM 13399 O OE1 . GLN A 1 36 ? 20.176 9.931 4.895 1.00 0.00 ? 36 GLN A OE1 10 ATOM 13400 N NE2 . GLN A 1 36 ? 22.059 9.048 4.047 1.00 0.00 ? 36 GLN A NE2 10 ATOM 13401 H H . GLN A 1 36 ? 19.475 4.549 2.592 1.00 0.00 ? 36 GLN A H 10 ATOM 13402 H HA . GLN A 1 36 ? 21.508 6.543 2.133 1.00 0.00 ? 36 GLN A HA 10 ATOM 13403 H HB2 . GLN A 1 36 ? 19.346 6.098 4.038 1.00 0.00 ? 36 GLN A HB2 10 ATOM 13404 H HB3 . GLN A 1 36 ? 20.811 6.683 4.816 1.00 0.00 ? 36 GLN A HB3 10 ATOM 13405 H HG2 . GLN A 1 36 ? 20.158 8.140 2.384 1.00 0.00 ? 36 GLN A HG2 10 ATOM 13406 H HG3 . GLN A 1 36 ? 18.890 8.225 3.606 1.00 0.00 ? 36 GLN A HG3 10 ATOM 13407 H HE21 . GLN A 1 36 ? 22.438 8.352 3.471 1.00 0.00 ? 36 GLN A HE21 10 ATOM 13408 H HE22 . GLN A 1 36 ? 22.599 9.713 4.523 1.00 0.00 ? 36 GLN A HE22 10 ATOM 13409 N N . SER A 1 37 ? 22.109 3.909 3.922 1.00 0.00 ? 37 SER A N 10 ATOM 13410 C CA . SER A 1 37 ? 23.151 3.148 4.602 1.00 0.00 ? 37 SER A CA 10 ATOM 13411 C C . SER A 1 37 ? 24.162 2.602 3.599 1.00 0.00 ? 37 SER A C 10 ATOM 13412 O O . SER A 1 37 ? 25.324 2.377 3.936 1.00 0.00 ? 37 SER A O 10 ATOM 13413 C CB . SER A 1 37 ? 22.533 1.999 5.400 1.00 0.00 ? 37 SER A CB 10 ATOM 13414 O OG . SER A 1 37 ? 22.119 2.434 6.684 1.00 0.00 ? 37 SER A OG 10 ATOM 13415 H H . SER A 1 37 ? 21.257 3.473 3.714 1.00 0.00 ? 37 SER A H 10 ATOM 13416 H HA . SER A 1 37 ? 23.659 3.816 5.281 1.00 0.00 ? 37 SER A HA 10 ATOM 13417 H HB2 . SER A 1 37 ? 21.675 1.614 4.871 1.00 0.00 ? 37 SER A HB2 10 ATOM 13418 H HB3 . SER A 1 37 ? 23.265 1.213 5.519 1.00 0.00 ? 37 SER A HB3 10 ATOM 13419 H HG . SER A 1 37 ? 22.093 1.685 7.284 1.00 0.00 ? 37 SER A HG 10 ATOM 13420 N N . GLU A 1 38 ? 23.712 2.394 2.366 1.00 0.00 ? 38 GLU A N 10 ATOM 13421 C CA . GLU A 1 38 ? 24.579 1.877 1.314 1.00 0.00 ? 38 GLU A CA 10 ATOM 13422 C C . GLU A 1 38 ? 25.469 2.982 0.755 1.00 0.00 ? 38 GLU A C 10 ATOM 13423 O O . GLU A 1 38 ? 26.551 2.716 0.233 1.00 0.00 ? 38 GLU A O 10 ATOM 13424 C CB . GLU A 1 38 ? 23.743 1.261 0.192 1.00 0.00 ? 38 GLU A CB 10 ATOM 13425 C CG . GLU A 1 38 ? 24.443 0.124 -0.535 1.00 0.00 ? 38 GLU A CG 10 ATOM 13426 C CD . GLU A 1 38 ? 25.086 0.571 -1.833 1.00 0.00 ? 38 GLU A CD 10 ATOM 13427 O OE1 . GLU A 1 38 ? 24.421 1.290 -2.608 1.00 0.00 ? 38 GLU A OE1 10 ATOM 13428 O OE2 . GLU A 1 38 ? 26.255 0.202 -2.075 1.00 0.00 ? 38 GLU A OE2 10 ATOM 13429 H H . GLU A 1 38 ? 22.775 2.595 2.158 1.00 0.00 ? 38 GLU A H 10 ATOM 13430 H HA . GLU A 1 38 ? 25.205 1.111 1.747 1.00 0.00 ? 38 GLU A HA 10 ATOM 13431 H HB2 . GLU A 1 38 ? 22.824 0.879 0.611 1.00 0.00 ? 38 GLU A HB2 10 ATOM 13432 H HB3 . GLU A 1 38 ? 23.507 2.030 -0.530 1.00 0.00 ? 38 GLU A HB3 10 ATOM 13433 H HG2 . GLU A 1 38 ? 25.211 -0.279 0.109 1.00 0.00 ? 38 GLU A HG2 10 ATOM 13434 H HG3 . GLU A 1 38 ? 23.720 -0.647 -0.755 1.00 0.00 ? 38 GLU A HG3 10 ATOM 13435 N N . ASP A 1 39 ? 25.005 4.223 0.868 1.00 0.00 ? 39 ASP A N 10 ATOM 13436 C CA . ASP A 1 39 ? 25.761 5.368 0.375 1.00 0.00 ? 39 ASP A CA 10 ATOM 13437 C C . ASP A 1 39 ? 26.921 5.697 1.308 1.00 0.00 ? 39 ASP A C 10 ATOM 13438 O O . ASP A 1 39 ? 27.926 6.271 0.887 1.00 0.00 ? 39 ASP A O 10 ATOM 13439 C CB . ASP A 1 39 ? 24.846 6.586 0.231 1.00 0.00 ? 39 ASP A CB 10 ATOM 13440 C CG . ASP A 1 39 ? 25.233 7.465 -0.941 1.00 0.00 ? 39 ASP A CG 10 ATOM 13441 O OD1 . ASP A 1 39 ? 26.238 8.198 -0.828 1.00 0.00 ? 39 ASP A OD1 10 ATOM 13442 O OD2 . ASP A 1 39 ? 24.530 7.421 -1.974 1.00 0.00 ? 39 ASP A OD2 10 ATOM 13443 H H . ASP A 1 39 ? 24.135 4.373 1.295 1.00 0.00 ? 39 ASP A H 10 ATOM 13444 H HA . ASP A 1 39 ? 26.156 5.111 -0.597 1.00 0.00 ? 39 ASP A HA 10 ATOM 13445 H HB2 . ASP A 1 39 ? 23.830 6.251 0.085 1.00 0.00 ? 39 ASP A HB2 10 ATOM 13446 H HB3 . ASP A 1 39 ? 24.900 7.177 1.134 1.00 0.00 ? 39 ASP A HB3 10 ATOM 13447 N N . ASP A 1 40 ? 26.776 5.329 2.576 1.00 0.00 ? 40 ASP A N 10 ATOM 13448 C CA . ASP A 1 40 ? 27.813 5.584 3.570 1.00 0.00 ? 40 ASP A CA 10 ATOM 13449 C C . ASP A 1 40 ? 27.605 4.719 4.809 1.00 0.00 ? 40 ASP A C 10 ATOM 13450 O O . ASP A 1 40 ? 26.893 5.106 5.736 1.00 0.00 ? 40 ASP A O 10 ATOM 13451 C CB . ASP A 1 40 ? 27.820 7.063 3.962 1.00 0.00 ? 40 ASP A CB 10 ATOM 13452 C CG . ASP A 1 40 ? 26.509 7.502 4.585 1.00 0.00 ? 40 ASP A CG 10 ATOM 13453 O OD1 . ASP A 1 40 ? 25.566 7.813 3.827 1.00 0.00 ? 40 ASP A OD1 10 ATOM 13454 O OD2 . ASP A 1 40 ? 26.426 7.535 5.831 1.00 0.00 ? 40 ASP A OD2 10 ATOM 13455 H H . ASP A 1 40 ? 25.953 4.874 2.852 1.00 0.00 ? 40 ASP A H 10 ATOM 13456 H HA . ASP A 1 40 ? 28.765 5.334 3.127 1.00 0.00 ? 40 ASP A HA 10 ATOM 13457 H HB2 . ASP A 1 40 ? 28.611 7.236 4.676 1.00 0.00 ? 40 ASP A HB2 10 ATOM 13458 H HB3 . ASP A 1 40 ? 27.997 7.662 3.080 1.00 0.00 ? 40 ASP A HB3 10 ATOM 13459 N N . ASP A 1 41 ? 28.230 3.546 4.816 1.00 0.00 ? 41 ASP A N 10 ATOM 13460 C CA . ASP A 1 41 ? 28.113 2.625 5.942 1.00 0.00 ? 41 ASP A CA 10 ATOM 13461 C C . ASP A 1 41 ? 28.425 3.332 7.257 1.00 0.00 ? 41 ASP A C 10 ATOM 13462 O O . ASP A 1 41 ? 27.477 3.584 8.031 1.00 0.00 ? 41 ASP A O 10 ATOM 13463 C CB . ASP A 1 41 ? 29.055 1.434 5.752 1.00 0.00 ? 41 ASP A CB 10 ATOM 13464 C CG . ASP A 1 41 ? 28.309 0.150 5.449 1.00 0.00 ? 41 ASP A CG 10 ATOM 13465 O OD1 . ASP A 1 41 ? 27.977 -0.077 4.266 1.00 0.00 ? 41 ASP A OD1 10 ATOM 13466 O OD2 . ASP A 1 41 ? 28.056 -0.627 6.392 1.00 0.00 ? 41 ASP A OD2 10 ATOM 13467 O OXT . ASP A 1 41 ? 29.614 3.625 7.503 1.00 0.00 ? 41 ASP A OXT 10 ATOM 13468 H H . ASP A 1 41 ? 28.783 3.294 4.048 1.00 0.00 ? 41 ASP A H 10 ATOM 13469 H HA . ASP A 1 41 ? 27.095 2.267 5.972 1.00 0.00 ? 41 ASP A HA 10 ATOM 13470 H HB2 . ASP A 1 41 ? 29.726 1.641 4.933 1.00 0.00 ? 41 ASP A HB2 10 ATOM 13471 H HB3 . ASP A 1 41 ? 29.629 1.291 6.656 1.00 0.00 ? 41 ASP A HB3 10 ATOM 13472 N N . ALA B 1 1 ? 35.250 -9.939 -2.529 1.00 0.00 ? 1 ALA B N 10 ATOM 13473 C CA . ALA B 1 1 ? 34.457 -9.007 -1.687 1.00 0.00 ? 1 ALA B CA 10 ATOM 13474 C C . ALA B 1 1 ? 33.430 -8.252 -2.525 1.00 0.00 ? 1 ALA B C 10 ATOM 13475 O O . ALA B 1 1 ? 33.611 -7.074 -2.835 1.00 0.00 ? 1 ALA B O 10 ATOM 13476 C CB . ALA B 1 1 ? 35.377 -8.027 -0.974 1.00 0.00 ? 1 ALA B CB 10 ATOM 13477 H H1 . ALA B 1 1 ? 34.585 -10.592 -2.992 1.00 0.00 ? 1 ALA B H1 10 ATOM 13478 H H2 . ALA B 1 1 ? 35.768 -9.371 -3.230 1.00 0.00 ? 1 ALA B H2 10 ATOM 13479 H H3 . ALA B 1 1 ? 35.907 -10.449 -1.906 1.00 0.00 ? 1 ALA B H3 10 ATOM 13480 H HA . ALA B 1 1 ? 33.937 -9.585 -0.937 1.00 0.00 ? 1 ALA B HA 10 ATOM 13481 H HB1 . ALA B 1 1 ? 36.308 -8.519 -0.733 1.00 0.00 ? 1 ALA B HB1 10 ATOM 13482 H HB2 . ALA B 1 1 ? 35.572 -7.183 -1.618 1.00 0.00 ? 1 ALA B HB2 10 ATOM 13483 H HB3 . ALA B 1 1 ? 34.904 -7.686 -0.065 1.00 0.00 ? 1 ALA B HB3 10 ATOM 13484 N N . LEU B 1 2 ? 32.352 -8.938 -2.888 1.00 0.00 ? 2 LEU B N 10 ATOM 13485 C CA . LEU B 1 2 ? 31.294 -8.333 -3.691 1.00 0.00 ? 2 LEU B CA 10 ATOM 13486 C C . LEU B 1 2 ? 30.023 -8.152 -2.868 1.00 0.00 ? 2 LEU B C 10 ATOM 13487 O O . LEU B 1 2 ? 29.258 -9.098 -2.674 1.00 0.00 ? 2 LEU B O 10 ATOM 13488 C CB . LEU B 1 2 ? 31.003 -9.194 -4.920 1.00 0.00 ? 2 LEU B CB 10 ATOM 13489 C CG . LEU B 1 2 ? 32.201 -9.972 -5.465 1.00 0.00 ? 2 LEU B CG 10 ATOM 13490 C CD1 . LEU B 1 2 ? 32.294 -11.340 -4.807 1.00 0.00 ? 2 LEU B CD1 10 ATOM 13491 C CD2 . LEU B 1 2 ? 32.102 -10.112 -6.976 1.00 0.00 ? 2 LEU B CD2 10 ATOM 13492 H H . LEU B 1 2 ? 32.264 -9.874 -2.611 1.00 0.00 ? 2 LEU B H 10 ATOM 13493 H HA . LEU B 1 2 ? 31.640 -7.362 -4.014 1.00 0.00 ? 2 LEU B HA 10 ATOM 13494 H HB2 . LEU B 1 2 ? 30.227 -9.901 -4.663 1.00 0.00 ? 2 LEU B HB2 10 ATOM 13495 H HB3 . LEU B 1 2 ? 30.634 -8.551 -5.705 1.00 0.00 ? 2 LEU B HB3 10 ATOM 13496 H HG . LEU B 1 2 ? 33.108 -9.431 -5.237 1.00 0.00 ? 2 LEU B HG 10 ATOM 13497 H HD11 . LEU B 1 2 ? 31.317 -11.634 -4.451 1.00 0.00 ? 2 LEU B HD11 10 ATOM 13498 H HD12 . LEU B 1 2 ? 32.647 -12.063 -5.526 1.00 0.00 ? 2 LEU B HD12 10 ATOM 13499 H HD13 . LEU B 1 2 ? 32.982 -11.293 -3.975 1.00 0.00 ? 2 LEU B HD13 10 ATOM 13500 H HD21 . LEU B 1 2 ? 31.116 -10.463 -7.242 1.00 0.00 ? 2 LEU B HD21 10 ATOM 13501 H HD22 . LEU B 1 2 ? 32.279 -9.152 -7.439 1.00 0.00 ? 2 LEU B HD22 10 ATOM 13502 H HD23 . LEU B 1 2 ? 32.842 -10.819 -7.322 1.00 0.00 ? 2 LEU B HD23 10 ATOM 13503 N N . LYS B 1 3 ? 29.802 -6.933 -2.388 1.00 0.00 ? 3 LYS B N 10 ATOM 13504 C CA . LYS B 1 3 ? 28.622 -6.629 -1.587 1.00 0.00 ? 3 LYS B CA 10 ATOM 13505 C C . LYS B 1 3 ? 27.541 -5.974 -2.439 1.00 0.00 ? 3 LYS B C 10 ATOM 13506 O O . LYS B 1 3 ? 26.993 -4.933 -2.075 1.00 0.00 ? 3 LYS B O 10 ATOM 13507 C CB . LYS B 1 3 ? 28.994 -5.714 -0.419 1.00 0.00 ? 3 LYS B CB 10 ATOM 13508 C CG . LYS B 1 3 ? 29.272 -6.461 0.875 1.00 0.00 ? 3 LYS B CG 10 ATOM 13509 C CD . LYS B 1 3 ? 30.747 -6.417 1.240 1.00 0.00 ? 3 LYS B CD 10 ATOM 13510 C CE . LYS B 1 3 ? 31.192 -7.702 1.918 1.00 0.00 ? 3 LYS B CE 10 ATOM 13511 N NZ . LYS B 1 3 ? 31.828 -7.439 3.240 1.00 0.00 ? 3 LYS B NZ 10 ATOM 13512 H H . LYS B 1 3 ? 30.448 -6.220 -2.577 1.00 0.00 ? 3 LYS B H 10 ATOM 13513 H HA . LYS B 1 3 ? 28.240 -7.560 -1.195 1.00 0.00 ? 3 LYS B HA 10 ATOM 13514 H HB2 . LYS B 1 3 ? 29.880 -5.154 -0.683 1.00 0.00 ? 3 LYS B HB2 10 ATOM 13515 H HB3 . LYS B 1 3 ? 28.182 -5.024 -0.244 1.00 0.00 ? 3 LYS B HB3 10 ATOM 13516 H HG2 . LYS B 1 3 ? 28.701 -6.008 1.671 1.00 0.00 ? 3 LYS B HG2 10 ATOM 13517 H HG3 . LYS B 1 3 ? 28.970 -7.492 0.755 1.00 0.00 ? 3 LYS B HG3 10 ATOM 13518 H HD2 . LYS B 1 3 ? 31.327 -6.278 0.339 1.00 0.00 ? 3 LYS B HD2 10 ATOM 13519 H HD3 . LYS B 1 3 ? 30.917 -5.587 1.910 1.00 0.00 ? 3 LYS B HD3 10 ATOM 13520 H HE2 . LYS B 1 3 ? 30.329 -8.335 2.064 1.00 0.00 ? 3 LYS B HE2 10 ATOM 13521 H HE3 . LYS B 1 3 ? 31.903 -8.204 1.279 1.00 0.00 ? 3 LYS B HE3 10 ATOM 13522 H HZ1 . LYS B 1 3 ? 31.735 -6.434 3.488 1.00 0.00 ? 3 LYS B HZ1 10 ATOM 13523 H HZ2 . LYS B 1 3 ? 31.369 -8.011 3.976 1.00 0.00 ? 3 LYS B HZ2 10 ATOM 13524 H HZ3 . LYS B 1 3 ? 32.838 -7.685 3.205 1.00 0.00 ? 3 LYS B HZ3 10 ATOM 13525 N N . LYS B 1 4 ? 27.236 -6.591 -3.576 1.00 0.00 ? 4 LYS B N 10 ATOM 13526 C CA . LYS B 1 4 ? 26.218 -6.069 -4.480 1.00 0.00 ? 4 LYS B CA 10 ATOM 13527 C C . LYS B 1 4 ? 24.868 -6.727 -4.217 1.00 0.00 ? 4 LYS B C 10 ATOM 13528 O O . LYS B 1 4 ? 24.016 -6.799 -5.103 1.00 0.00 ? 4 LYS B O 10 ATOM 13529 C CB . LYS B 1 4 ? 26.633 -6.297 -5.935 1.00 0.00 ? 4 LYS B CB 10 ATOM 13530 C CG . LYS B 1 4 ? 26.604 -7.757 -6.355 1.00 0.00 ? 4 LYS B CG 10 ATOM 13531 C CD . LYS B 1 4 ? 27.813 -8.116 -7.204 1.00 0.00 ? 4 LYS B CD 10 ATOM 13532 C CE . LYS B 1 4 ? 27.609 -9.433 -7.936 1.00 0.00 ? 4 LYS B CE 10 ATOM 13533 N NZ . LYS B 1 4 ? 27.377 -10.563 -6.994 1.00 0.00 ? 4 LYS B NZ 10 ATOM 13534 H H . LYS B 1 4 ? 27.705 -7.418 -3.812 1.00 0.00 ? 4 LYS B H 10 ATOM 13535 H HA . LYS B 1 4 ? 26.129 -5.008 -4.303 1.00 0.00 ? 4 LYS B HA 10 ATOM 13536 H HB2 . LYS B 1 4 ? 25.963 -5.746 -6.579 1.00 0.00 ? 4 LYS B HB2 10 ATOM 13537 H HB3 . LYS B 1 4 ? 27.638 -5.924 -6.073 1.00 0.00 ? 4 LYS B HB3 10 ATOM 13538 H HG2 . LYS B 1 4 ? 26.602 -8.376 -5.470 1.00 0.00 ? 4 LYS B HG2 10 ATOM 13539 H HG3 . LYS B 1 4 ? 25.706 -7.939 -6.927 1.00 0.00 ? 4 LYS B HG3 10 ATOM 13540 H HD2 . LYS B 1 4 ? 27.976 -7.334 -7.930 1.00 0.00 ? 4 LYS B HD2 10 ATOM 13541 H HD3 . LYS B 1 4 ? 28.679 -8.202 -6.563 1.00 0.00 ? 4 LYS B HD3 10 ATOM 13542 H HE2 . LYS B 1 4 ? 26.752 -9.339 -8.587 1.00 0.00 ? 4 LYS B HE2 10 ATOM 13543 H HE3 . LYS B 1 4 ? 28.488 -9.642 -8.527 1.00 0.00 ? 4 LYS B HE3 10 ATOM 13544 H HZ1 . LYS B 1 4 ? 27.200 -10.198 -6.035 1.00 0.00 ? 4 LYS B HZ1 10 ATOM 13545 H HZ2 . LYS B 1 4 ? 26.553 -11.119 -7.299 1.00 0.00 ? 4 LYS B HZ2 10 ATOM 13546 H HZ3 . LYS B 1 4 ? 28.210 -11.184 -6.969 1.00 0.00 ? 4 LYS B HZ3 10 ATOM 13547 N N . HIS B 1 5 ? 24.677 -7.204 -2.991 1.00 0.00 ? 5 HIS B N 10 ATOM 13548 C CA . HIS B 1 5 ? 23.428 -7.855 -2.610 1.00 0.00 ? 5 HIS B CA 10 ATOM 13549 C C . HIS B 1 5 ? 22.425 -6.835 -2.085 1.00 0.00 ? 5 HIS B C 10 ATOM 13550 O O . HIS B 1 5 ? 21.217 -6.981 -2.277 1.00 0.00 ? 5 HIS B O 10 ATOM 13551 C CB . HIS B 1 5 ? 23.688 -8.924 -1.546 1.00 0.00 ? 5 HIS B CB 10 ATOM 13552 C CG . HIS B 1 5 ? 24.984 -9.653 -1.728 1.00 0.00 ? 5 HIS B CG 10 ATOM 13553 N ND1 . HIS B 1 5 ? 25.573 -9.846 -2.960 1.00 0.00 ? 5 HIS B ND1 10 ATOM 13554 C CD2 . HIS B 1 5 ? 25.808 -10.235 -0.824 1.00 0.00 ? 5 HIS B CD2 10 ATOM 13555 C CE1 . HIS B 1 5 ? 26.701 -10.516 -2.807 1.00 0.00 ? 5 HIS B CE1 10 ATOM 13556 N NE2 . HIS B 1 5 ? 26.866 -10.763 -1.521 1.00 0.00 ? 5 HIS B NE2 10 ATOM 13557 H H . HIS B 1 5 ? 25.391 -7.117 -2.327 1.00 0.00 ? 5 HIS B H 10 ATOM 13558 H HA . HIS B 1 5 ? 23.019 -8.327 -3.490 1.00 0.00 ? 5 HIS B HA 10 ATOM 13559 H HB2 . HIS B 1 5 ? 23.704 -8.458 -0.573 1.00 0.00 ? 5 HIS B HB2 10 ATOM 13560 H HB3 . HIS B 1 5 ? 22.890 -9.653 -1.576 1.00 0.00 ? 5 HIS B HB3 10 ATOM 13561 H HD1 . HIS B 1 5 ? 25.216 -9.539 -3.820 1.00 0.00 ? 5 HIS B HD1 10 ATOM 13562 H HD2 . HIS B 1 5 ? 25.660 -10.276 0.246 1.00 0.00 ? 5 HIS B HD2 10 ATOM 13563 H HE1 . HIS B 1 5 ? 27.375 -10.809 -3.598 1.00 0.00 ? 5 HIS B HE1 10 ATOM 13564 H HE2 . HIS B 1 5 ? 27.624 -11.246 -1.129 1.00 0.00 ? 5 HIS B HE2 10 ATOM 13565 N N . HIS B 1 6 ? 22.932 -5.802 -1.421 1.00 0.00 ? 6 HIS B N 10 ATOM 13566 C CA . HIS B 1 6 ? 22.079 -4.757 -0.867 1.00 0.00 ? 6 HIS B CA 10 ATOM 13567 C C . HIS B 1 6 ? 21.340 -4.016 -1.973 1.00 0.00 ? 6 HIS B C 10 ATOM 13568 O O . HIS B 1 6 ? 20.169 -3.680 -1.824 1.00 0.00 ? 6 HIS B O 10 ATOM 13569 C CB . HIS B 1 6 ? 22.908 -3.773 -0.039 1.00 0.00 ? 6 HIS B CB 10 ATOM 13570 C CG . HIS B 1 6 ? 23.365 -4.331 1.273 1.00 0.00 ? 6 HIS B CG 10 ATOM 13571 N ND1 . HIS B 1 6 ? 23.294 -5.672 1.586 1.00 0.00 ? 6 HIS B ND1 10 ATOM 13572 C CD2 . HIS B 1 6 ? 23.902 -3.721 2.356 1.00 0.00 ? 6 HIS B CD2 10 ATOM 13573 C CE1 . HIS B 1 6 ? 23.766 -5.863 2.805 1.00 0.00 ? 6 HIS B CE1 10 ATOM 13574 N NE2 . HIS B 1 6 ? 24.142 -4.696 3.293 1.00 0.00 ? 6 HIS B NE2 10 ATOM 13575 H H . HIS B 1 6 ? 23.903 -5.740 -1.300 1.00 0.00 ? 6 HIS B H 10 ATOM 13576 H HA . HIS B 1 6 ? 21.350 -5.233 -0.226 1.00 0.00 ? 6 HIS B HA 10 ATOM 13577 H HB2 . HIS B 1 6 ? 23.784 -3.489 -0.602 1.00 0.00 ? 6 HIS B HB2 10 ATOM 13578 H HB3 . HIS B 1 6 ? 22.314 -2.893 0.161 1.00 0.00 ? 6 HIS B HB3 10 ATOM 13579 H HD1 . HIS B 1 6 ? 22.947 -6.380 1.002 1.00 0.00 ? 6 HIS B HD1 10 ATOM 13580 H HD2 . HIS B 1 6 ? 24.105 -2.665 2.463 1.00 0.00 ? 6 HIS B HD2 10 ATOM 13581 H HE1 . HIS B 1 6 ? 23.835 -6.813 3.315 1.00 0.00 ? 6 HIS B HE1 10 ATOM 13582 H HE2 . HIS B 1 6 ? 24.529 -4.550 4.182 1.00 0.00 ? 6 HIS B HE2 10 ATOM 13583 N N . GLU B 1 7 ? 22.026 -3.770 -3.085 1.00 0.00 ? 7 GLU B N 10 ATOM 13584 C CA . GLU B 1 7 ? 21.425 -3.078 -4.216 1.00 0.00 ? 7 GLU B CA 10 ATOM 13585 C C . GLU B 1 7 ? 20.271 -3.892 -4.794 1.00 0.00 ? 7 GLU B C 10 ATOM 13586 O O . GLU B 1 7 ? 19.370 -3.344 -5.427 1.00 0.00 ? 7 GLU B O 10 ATOM 13587 C CB . GLU B 1 7 ? 22.474 -2.816 -5.298 1.00 0.00 ? 7 GLU B CB 10 ATOM 13588 C CG . GLU B 1 7 ? 23.486 -1.747 -4.918 1.00 0.00 ? 7 GLU B CG 10 ATOM 13589 C CD . GLU B 1 7 ? 24.484 -1.469 -6.025 1.00 0.00 ? 7 GLU B CD 10 ATOM 13590 O OE1 . GLU B 1 7 ? 24.230 -1.891 -7.173 1.00 0.00 ? 7 GLU B OE1 10 ATOM 13591 O OE2 . GLU B 1 7 ? 25.519 -0.828 -5.745 1.00 0.00 ? 7 GLU B OE2 10 ATOM 13592 H H . GLU B 1 7 ? 22.955 -4.062 -3.146 1.00 0.00 ? 7 GLU B H 10 ATOM 13593 H HA . GLU B 1 7 ? 21.041 -2.133 -3.861 1.00 0.00 ? 7 GLU B HA 10 ATOM 13594 H HB2 . GLU B 1 7 ? 23.009 -3.734 -5.496 1.00 0.00 ? 7 GLU B HB2 10 ATOM 13595 H HB3 . GLU B 1 7 ? 21.973 -2.500 -6.201 1.00 0.00 ? 7 GLU B HB3 10 ATOM 13596 H HG2 . GLU B 1 7 ? 22.959 -0.833 -4.693 1.00 0.00 ? 7 GLU B HG2 10 ATOM 13597 H HG3 . GLU B 1 7 ? 24.025 -2.077 -4.042 1.00 0.00 ? 7 GLU B HG3 10 ATOM 13598 N N . ASN B 1 8 ? 20.302 -5.203 -4.567 1.00 0.00 ? 8 ASN B N 10 ATOM 13599 C CA . ASN B 1 8 ? 19.252 -6.089 -5.059 1.00 0.00 ? 8 ASN B CA 10 ATOM 13600 C C . ASN B 1 8 ? 17.989 -5.922 -4.222 1.00 0.00 ? 8 ASN B C 10 ATOM 13601 O O . ASN B 1 8 ? 16.937 -5.539 -4.734 1.00 0.00 ? 8 ASN B O 10 ATOM 13602 C CB . ASN B 1 8 ? 19.719 -7.546 -5.020 1.00 0.00 ? 8 ASN B CB 10 ATOM 13603 C CG . ASN B 1 8 ? 19.769 -8.174 -6.399 1.00 0.00 ? 8 ASN B CG 10 ATOM 13604 O OD1 . ASN B 1 8 ? 20.023 -7.495 -7.394 1.00 0.00 ? 8 ASN B OD1 10 ATOM 13605 N ND2 . ASN B 1 8 ? 19.525 -9.478 -6.465 1.00 0.00 ? 8 ASN B ND2 10 ATOM 13606 H H . ASN B 1 8 ? 21.043 -5.583 -4.052 1.00 0.00 ? 8 ASN B H 10 ATOM 13607 H HA . ASN B 1 8 ? 19.034 -5.813 -6.080 1.00 0.00 ? 8 ASN B HA 10 ATOM 13608 H HB2 . ASN B 1 8 ? 20.708 -7.589 -4.590 1.00 0.00 ? 8 ASN B HB2 10 ATOM 13609 H HB3 . ASN B 1 8 ? 19.039 -8.119 -4.407 1.00 0.00 ? 8 ASN B HB3 10 ATOM 13610 H HD21 . ASN B 1 8 ? 19.330 -9.954 -5.630 1.00 0.00 ? 8 ASN B HD21 10 ATOM 13611 H HD22 . ASN B 1 8 ? 19.551 -9.910 -7.343 1.00 0.00 ? 8 ASN B HD22 10 ATOM 13612 N N . GLU B 1 9 ? 18.109 -6.190 -2.925 1.00 0.00 ? 9 GLU B N 10 ATOM 13613 C CA . GLU B 1 9 ? 16.981 -6.045 -2.013 1.00 0.00 ? 9 GLU B CA 10 ATOM 13614 C C . GLU B 1 9 ? 16.573 -4.575 -1.892 1.00 0.00 ? 9 GLU B C 10 ATOM 13615 O O . GLU B 1 9 ? 15.496 -4.255 -1.386 1.00 0.00 ? 9 GLU B O 10 ATOM 13616 C CB . GLU B 1 9 ? 17.346 -6.604 -0.636 1.00 0.00 ? 9 GLU B CB 10 ATOM 13617 C CG . GLU B 1 9 ? 16.149 -6.809 0.275 1.00 0.00 ? 9 GLU B CG 10 ATOM 13618 C CD . GLU B 1 9 ? 15.792 -8.272 0.451 1.00 0.00 ? 9 GLU B CD 10 ATOM 13619 O OE1 . GLU B 1 9 ? 16.181 -9.086 -0.413 1.00 0.00 ? 9 GLU B OE1 10 ATOM 13620 O OE2 . GLU B 1 9 ? 15.123 -8.604 1.452 1.00 0.00 ? 9 GLU B OE2 10 ATOM 13621 H H . GLU B 1 9 ? 18.981 -6.473 -2.571 1.00 0.00 ? 9 GLU B H 10 ATOM 13622 H HA . GLU B 1 9 ? 16.153 -6.607 -2.415 1.00 0.00 ? 9 GLU B HA 10 ATOM 13623 H HB2 . GLU B 1 9 ? 17.839 -7.557 -0.766 1.00 0.00 ? 9 GLU B HB2 10 ATOM 13624 H HB3 . GLU B 1 9 ? 18.027 -5.920 -0.152 1.00 0.00 ? 9 GLU B HB3 10 ATOM 13625 H HG2 . GLU B 1 9 ? 16.375 -6.391 1.244 1.00 0.00 ? 9 GLU B HG2 10 ATOM 13626 H HG3 . GLU B 1 9 ? 15.299 -6.294 -0.148 1.00 0.00 ? 9 GLU B HG3 10 ATOM 13627 N N . ILE B 1 10 ? 17.445 -3.685 -2.368 1.00 0.00 ? 10 ILE B N 10 ATOM 13628 C CA . ILE B 1 10 ? 17.198 -2.253 -2.329 1.00 0.00 ? 10 ILE B CA 10 ATOM 13629 C C . ILE B 1 10 ? 16.310 -1.841 -3.505 1.00 0.00 ? 10 ILE B C 10 ATOM 13630 O O . ILE B 1 10 ? 15.388 -1.039 -3.351 1.00 0.00 ? 10 ILE B O 10 ATOM 13631 C CB . ILE B 1 10 ? 18.554 -1.484 -2.336 1.00 0.00 ? 10 ILE B CB 10 ATOM 13632 C CG1 . ILE B 1 10 ? 19.108 -1.402 -0.914 1.00 0.00 ? 10 ILE B CG1 10 ATOM 13633 C CG2 . ILE B 1 10 ? 18.446 -0.085 -2.933 1.00 0.00 ? 10 ILE B CG2 10 ATOM 13634 C CD1 . ILE B 1 10 ? 20.543 -0.926 -0.851 1.00 0.00 ? 10 ILE B CD1 10 ATOM 13635 H H . ILE B 1 10 ? 18.278 -4.000 -2.763 1.00 0.00 ? 10 ILE B H 10 ATOM 13636 H HA . ILE B 1 10 ? 16.683 -2.028 -1.406 1.00 0.00 ? 10 ILE B HA 10 ATOM 13637 H HB . ILE B 1 10 ? 19.248 -2.046 -2.942 1.00 0.00 ? 10 ILE B HB 10 ATOM 13638 H HG12 . ILE B 1 10 ? 18.506 -0.714 -0.341 1.00 0.00 ? 10 ILE B HG12 10 ATOM 13639 H HG13 . ILE B 1 10 ? 19.061 -2.380 -0.458 1.00 0.00 ? 10 ILE B HG13 10 ATOM 13640 H HG21 . ILE B 1 10 ? 18.003 -0.146 -3.916 1.00 0.00 ? 10 ILE B HG21 10 ATOM 13641 H HG22 . ILE B 1 10 ? 17.831 0.533 -2.297 1.00 0.00 ? 10 ILE B HG22 10 ATOM 13642 H HG23 . ILE B 1 10 ? 19.434 0.345 -3.011 1.00 0.00 ? 10 ILE B HG23 10 ATOM 13643 H HD11 . ILE B 1 10 ? 20.718 -0.204 -1.634 1.00 0.00 ? 10 ILE B HD11 10 ATOM 13644 H HD12 . ILE B 1 10 ? 20.728 -0.468 0.110 1.00 0.00 ? 10 ILE B HD12 10 ATOM 13645 H HD13 . ILE B 1 10 ? 21.207 -1.767 -0.983 1.00 0.00 ? 10 ILE B HD13 10 ATOM 13646 N N . SER B 1 11 ? 16.589 -2.407 -4.674 1.00 0.00 ? 11 SER B N 10 ATOM 13647 C CA . SER B 1 11 ? 15.810 -2.109 -5.866 1.00 0.00 ? 11 SER B CA 10 ATOM 13648 C C . SER B 1 11 ? 14.407 -2.683 -5.733 1.00 0.00 ? 11 SER B C 10 ATOM 13649 O O . SER B 1 11 ? 13.449 -2.158 -6.302 1.00 0.00 ? 11 SER B O 10 ATOM 13650 C CB . SER B 1 11 ? 16.495 -2.680 -7.109 1.00 0.00 ? 11 SER B CB 10 ATOM 13651 O OG . SER B 1 11 ? 15.566 -2.874 -8.161 1.00 0.00 ? 11 SER B OG 10 ATOM 13652 H H . SER B 1 11 ? 17.329 -3.047 -4.733 1.00 0.00 ? 11 SER B H 10 ATOM 13653 H HA . SER B 1 11 ? 15.741 -1.035 -5.960 1.00 0.00 ? 11 SER B HA 10 ATOM 13654 H HB2 . SER B 1 11 ? 17.259 -1.993 -7.445 1.00 0.00 ? 11 SER B HB2 10 ATOM 13655 H HB3 . SER B 1 11 ? 16.948 -3.629 -6.864 1.00 0.00 ? 11 SER B HB3 10 ATOM 13656 H HG . SER B 1 11 ? 15.783 -2.293 -8.892 1.00 0.00 ? 11 SER B HG 10 ATOM 13657 N N . HIS B 1 12 ? 14.293 -3.766 -4.970 1.00 0.00 ? 12 HIS B N 10 ATOM 13658 C CA . HIS B 1 12 ? 13.008 -4.411 -4.753 1.00 0.00 ? 12 HIS B CA 10 ATOM 13659 C C . HIS B 1 12 ? 12.144 -3.566 -3.813 1.00 0.00 ? 12 HIS B C 10 ATOM 13660 O O . HIS B 1 12 ? 10.979 -3.300 -4.106 1.00 0.00 ? 12 HIS B O 10 ATOM 13661 C CB . HIS B 1 12 ? 13.232 -5.851 -4.227 1.00 0.00 ? 12 HIS B CB 10 ATOM 13662 C CG . HIS B 1 12 ? 12.405 -6.252 -3.038 1.00 0.00 ? 12 HIS B CG 10 ATOM 13663 N ND1 . HIS B 1 12 ? 11.087 -6.646 -3.130 1.00 0.00 ? 12 HIS B ND1 10 ATOM 13664 C CD2 . HIS B 1 12 ? 12.725 -6.319 -1.726 1.00 0.00 ? 12 HIS B CD2 10 ATOM 13665 C CE1 . HIS B 1 12 ? 10.631 -6.935 -1.924 1.00 0.00 ? 12 HIS B CE1 10 ATOM 13666 N NE2 . HIS B 1 12 ? 11.607 -6.746 -1.055 1.00 0.00 ? 12 HIS B NE2 10 ATOM 13667 H H . HIS B 1 12 ? 15.093 -4.136 -4.538 1.00 0.00 ? 12 HIS B H 10 ATOM 13668 H HA . HIS B 1 12 ? 12.510 -4.466 -5.710 1.00 0.00 ? 12 HIS B HA 10 ATOM 13669 H HB2 . HIS B 1 12 ? 13.009 -6.545 -5.021 1.00 0.00 ? 12 HIS B HB2 10 ATOM 13670 H HB3 . HIS B 1 12 ? 14.273 -5.959 -3.955 1.00 0.00 ? 12 HIS B HB3 10 ATOM 13671 H HD1 . HIS B 1 12 ? 10.563 -6.703 -3.956 1.00 0.00 ? 12 HIS B HD1 10 ATOM 13672 H HD2 . HIS B 1 12 ? 13.684 -6.076 -1.288 1.00 0.00 ? 12 HIS B HD2 10 ATOM 13673 H HE1 . HIS B 1 12 ? 9.631 -7.272 -1.690 1.00 0.00 ? 12 HIS B HE1 10 ATOM 13674 H HE2 . HIS B 1 12 ? 11.539 -6.889 -0.088 1.00 0.00 ? 12 HIS B HE2 10 ATOM 13675 N N . HIS B 1 13 ? 12.719 -3.133 -2.691 1.00 0.00 ? 13 HIS B N 10 ATOM 13676 C CA . HIS B 1 13 ? 11.980 -2.310 -1.744 1.00 0.00 ? 13 HIS B CA 10 ATOM 13677 C C . HIS B 1 13 ? 11.528 -1.018 -2.409 1.00 0.00 ? 13 HIS B C 10 ATOM 13678 O O . HIS B 1 13 ? 10.515 -0.436 -2.029 1.00 0.00 ? 13 HIS B O 10 ATOM 13679 C CB . HIS B 1 13 ? 12.823 -1.976 -0.516 1.00 0.00 ? 13 HIS B CB 10 ATOM 13680 C CG . HIS B 1 13 ? 13.365 -3.167 0.204 1.00 0.00 ? 13 HIS B CG 10 ATOM 13681 N ND1 . HIS B 1 13 ? 12.716 -4.382 0.257 1.00 0.00 ? 13 HIS B ND1 10 ATOM 13682 C CD2 . HIS B 1 13 ? 14.499 -3.314 0.921 1.00 0.00 ? 13 HIS B CD2 10 ATOM 13683 C CE1 . HIS B 1 13 ? 13.430 -5.226 0.980 1.00 0.00 ? 13 HIS B CE1 10 ATOM 13684 N NE2 . HIS B 1 13 ? 14.517 -4.602 1.394 1.00 0.00 ? 13 HIS B NE2 10 ATOM 13685 H H . HIS B 1 13 ? 13.656 -3.363 -2.505 1.00 0.00 ? 13 HIS B H 10 ATOM 13686 H HA . HIS B 1 13 ? 11.107 -2.866 -1.433 1.00 0.00 ? 13 HIS B HA 10 ATOM 13687 H HB2 . HIS B 1 13 ? 13.659 -1.364 -0.817 1.00 0.00 ? 13 HIS B HB2 10 ATOM 13688 H HB3 . HIS B 1 13 ? 12.213 -1.422 0.183 1.00 0.00 ? 13 HIS B HB3 10 ATOM 13689 H HD1 . HIS B 1 13 ? 11.861 -4.593 -0.171 1.00 0.00 ? 13 HIS B HD1 10 ATOM 13690 H HD2 . HIS B 1 13 ? 15.247 -2.553 1.094 1.00 0.00 ? 13 HIS B HD2 10 ATOM 13691 H HE1 . HIS B 1 13 ? 13.170 -6.252 1.195 1.00 0.00 ? 13 HIS B HE1 10 ATOM 13692 H HE2 . HIS B 1 13 ? 15.221 -4.996 1.951 1.00 0.00 ? 13 HIS B HE2 10 ATOM 13693 N N . ALA B 1 14 ? 12.290 -0.572 -3.405 1.00 0.00 ? 14 ALA B N 10 ATOM 13694 C CA . ALA B 1 14 ? 11.962 0.652 -4.124 1.00 0.00 ? 14 ALA B CA 10 ATOM 13695 C C . ALA B 1 14 ? 10.669 0.477 -4.904 1.00 0.00 ? 14 ALA B C 10 ATOM 13696 O O . ALA B 1 14 ? 9.713 1.230 -4.721 1.00 0.00 ? 14 ALA B O 10 ATOM 13697 C CB . ALA B 1 14 ? 13.100 1.044 -5.054 1.00 0.00 ? 14 ALA B CB 10 ATOM 13698 H H . ALA B 1 14 ? 13.090 -1.080 -3.662 1.00 0.00 ? 14 ALA B H 10 ATOM 13699 H HA . ALA B 1 14 ? 11.828 1.440 -3.398 1.00 0.00 ? 14 ALA B HA 10 ATOM 13700 H HB1 . ALA B 1 14 ? 14.038 0.704 -4.640 1.00 0.00 ? 14 ALA B HB1 10 ATOM 13701 H HB2 . ALA B 1 14 ? 12.948 0.588 -6.022 1.00 0.00 ? 14 ALA B HB2 10 ATOM 13702 H HB3 . ALA B 1 14 ? 13.122 2.118 -5.162 1.00 0.00 ? 14 ALA B HB3 10 ATOM 13703 N N . LYS B 1 15 ? 10.638 -0.534 -5.765 1.00 0.00 ? 15 LYS B N 10 ATOM 13704 C CA . LYS B 1 15 ? 9.450 -0.819 -6.555 1.00 0.00 ? 15 LYS B CA 10 ATOM 13705 C C . LYS B 1 15 ? 8.310 -1.299 -5.658 1.00 0.00 ? 15 LYS B C 10 ATOM 13706 O O . LYS B 1 15 ? 7.155 -1.345 -6.080 1.00 0.00 ? 15 LYS B O 10 ATOM 13707 C CB . LYS B 1 15 ? 9.759 -1.873 -7.621 1.00 0.00 ? 15 LYS B CB 10 ATOM 13708 C CG . LYS B 1 15 ? 9.955 -3.271 -7.057 1.00 0.00 ? 15 LYS B CG 10 ATOM 13709 C CD . LYS B 1 15 ? 8.931 -4.246 -7.614 1.00 0.00 ? 15 LYS B CD 10 ATOM 13710 C CE . LYS B 1 15 ? 9.591 -5.524 -8.106 1.00 0.00 ? 15 LYS B CE 10 ATOM 13711 N NZ . LYS B 1 15 ? 8.929 -6.056 -9.330 1.00 0.00 ? 15 LYS B NZ 10 ATOM 13712 H H . LYS B 1 15 ? 11.427 -1.112 -5.858 1.00 0.00 ? 15 LYS B H 10 ATOM 13713 H HA . LYS B 1 15 ? 9.149 0.096 -7.042 1.00 0.00 ? 15 LYS B HA 10 ATOM 13714 H HB2 . LYS B 1 15 ? 8.941 -1.905 -8.326 1.00 0.00 ? 15 LYS B HB2 10 ATOM 13715 H HB3 . LYS B 1 15 ? 10.661 -1.589 -8.141 1.00 0.00 ? 15 LYS B HB3 10 ATOM 13716 H HG2 . LYS B 1 15 ? 10.944 -3.617 -7.314 1.00 0.00 ? 15 LYS B HG2 10 ATOM 13717 H HG3 . LYS B 1 15 ? 9.853 -3.232 -5.982 1.00 0.00 ? 15 LYS B HG3 10 ATOM 13718 H HD2 . LYS B 1 15 ? 8.223 -4.494 -6.838 1.00 0.00 ? 15 LYS B HD2 10 ATOM 13719 H HD3 . LYS B 1 15 ? 8.414 -3.777 -8.440 1.00 0.00 ? 15 LYS B HD3 10 ATOM 13720 H HE2 . LYS B 1 15 ? 10.626 -5.319 -8.328 1.00 0.00 ? 15 LYS B HE2 10 ATOM 13721 H HE3 . LYS B 1 15 ? 9.532 -6.268 -7.324 1.00 0.00 ? 15 LYS B HE3 10 ATOM 13722 H HZ1 . LYS B 1 15 ? 8.871 -5.313 -10.056 1.00 0.00 ? 15 LYS B HZ1 10 ATOM 13723 H HZ2 . LYS B 1 15 ? 9.474 -6.855 -9.712 1.00 0.00 ? 15 LYS B HZ2 10 ATOM 13724 H HZ3 . LYS B 1 15 ? 7.968 -6.382 -9.104 1.00 0.00 ? 15 LYS B HZ3 10 ATOM 13725 N N . GLU B 1 16 ? 8.641 -1.659 -4.415 1.00 0.00 ? 16 GLU B N 10 ATOM 13726 C CA . GLU B 1 16 ? 7.645 -2.136 -3.466 1.00 0.00 ? 16 GLU B CA 10 ATOM 13727 C C . GLU B 1 16 ? 6.925 -0.971 -2.795 1.00 0.00 ? 16 GLU B C 10 ATOM 13728 O O . GLU B 1 16 ? 5.736 -1.062 -2.500 1.00 0.00 ? 16 GLU B O 10 ATOM 13729 C CB . GLU B 1 16 ? 8.302 -3.023 -2.408 1.00 0.00 ? 16 GLU B CB 10 ATOM 13730 C CG . GLU B 1 16 ? 8.137 -4.510 -2.674 1.00 0.00 ? 16 GLU B CG 10 ATOM 13731 C CD . GLU B 1 16 ? 6.685 -4.915 -2.841 1.00 0.00 ? 16 GLU B CD 10 ATOM 13732 O OE1 . GLU B 1 16 ? 6.011 -5.141 -1.814 1.00 0.00 ? 16 GLU B OE1 10 ATOM 13733 O OE2 . GLU B 1 16 ? 6.222 -5.005 -3.996 1.00 0.00 ? 16 GLU B OE2 10 ATOM 13734 H H . GLU B 1 16 ? 9.575 -1.607 -4.131 1.00 0.00 ? 16 GLU B H 10 ATOM 13735 H HA . GLU B 1 16 ? 6.921 -2.720 -4.014 1.00 0.00 ? 16 GLU B HA 10 ATOM 13736 H HB2 . GLU B 1 16 ? 9.358 -2.801 -2.373 1.00 0.00 ? 16 GLU B HB2 10 ATOM 13737 H HB3 . GLU B 1 16 ? 7.865 -2.801 -1.446 1.00 0.00 ? 16 GLU B HB3 10 ATOM 13738 H HG2 . GLU B 1 16 ? 8.670 -4.763 -3.578 1.00 0.00 ? 16 GLU B HG2 10 ATOM 13739 H HG3 . GLU B 1 16 ? 8.556 -5.060 -1.844 1.00 0.00 ? 16 GLU B HG3 10 ATOM 13740 N N . ILE B 1 17 ? 7.645 0.124 -2.558 1.00 0.00 ? 17 ILE B N 10 ATOM 13741 C CA . ILE B 1 17 ? 7.052 1.297 -1.926 1.00 0.00 ? 17 ILE B CA 10 ATOM 13742 C C . ILE B 1 17 ? 6.195 2.064 -2.927 1.00 0.00 ? 17 ILE B C 10 ATOM 13743 O O . ILE B 1 17 ? 5.155 2.619 -2.573 1.00 0.00 ? 17 ILE B O 10 ATOM 13744 C CB . ILE B 1 17 ? 8.136 2.228 -1.335 1.00 0.00 ? 17 ILE B CB 10 ATOM 13745 C CG1 . ILE B 1 17 ? 7.509 3.514 -0.775 1.00 0.00 ? 17 ILE B CG1 10 ATOM 13746 C CG2 . ILE B 1 17 ? 9.201 2.544 -2.376 1.00 0.00 ? 17 ILE B CG2 10 ATOM 13747 C CD1 . ILE B 1 17 ? 7.197 4.563 -1.825 1.00 0.00 ? 17 ILE B CD1 10 ATOM 13748 H H . ILE B 1 17 ? 8.591 0.146 -2.817 1.00 0.00 ? 17 ILE B H 10 ATOM 13749 H HA . ILE B 1 17 ? 6.419 0.958 -1.118 1.00 0.00 ? 17 ILE B HA 10 ATOM 13750 H HB . ILE B 1 17 ? 8.618 1.698 -0.527 1.00 0.00 ? 17 ILE B HB 10 ATOM 13751 H HG12 . ILE B 1 17 ? 6.585 3.266 -0.274 1.00 0.00 ? 17 ILE B HG12 10 ATOM 13752 H HG13 . ILE B 1 17 ? 8.191 3.953 -0.062 1.00 0.00 ? 17 ILE B HG13 10 ATOM 13753 H HG21 . ILE B 1 17 ? 8.740 2.631 -3.348 1.00 0.00 ? 17 ILE B HG21 10 ATOM 13754 H HG22 . ILE B 1 17 ? 9.687 3.474 -2.121 1.00 0.00 ? 17 ILE B HG22 10 ATOM 13755 H HG23 . ILE B 1 17 ? 9.933 1.749 -2.394 1.00 0.00 ? 17 ILE B HG23 10 ATOM 13756 H HD11 . ILE B 1 17 ? 7.424 4.170 -2.805 1.00 0.00 ? 17 ILE B HD11 10 ATOM 13757 H HD12 . ILE B 1 17 ? 6.150 4.823 -1.773 1.00 0.00 ? 17 ILE B HD12 10 ATOM 13758 H HD13 . ILE B 1 17 ? 7.795 5.444 -1.642 1.00 0.00 ? 17 ILE B HD13 10 ATOM 13759 N N . GLU B 1 18 ? 6.632 2.079 -4.182 1.00 0.00 ? 18 GLU B N 10 ATOM 13760 C CA . GLU B 1 18 ? 5.896 2.767 -5.234 1.00 0.00 ? 18 GLU B CA 10 ATOM 13761 C C . GLU B 1 18 ? 4.696 1.936 -5.674 1.00 0.00 ? 18 GLU B C 10 ATOM 13762 O O . GLU B 1 18 ? 3.618 2.473 -5.935 1.00 0.00 ? 18 GLU B O 10 ATOM 13763 C CB . GLU B 1 18 ? 6.808 3.046 -6.429 1.00 0.00 ? 18 GLU B CB 10 ATOM 13764 C CG . GLU B 1 18 ? 6.744 4.482 -6.922 1.00 0.00 ? 18 GLU B CG 10 ATOM 13765 C CD . GLU B 1 18 ? 7.702 4.750 -8.066 1.00 0.00 ? 18 GLU B CD 10 ATOM 13766 O OE1 . GLU B 1 18 ? 8.768 4.100 -8.112 1.00 0.00 ? 18 GLU B OE1 10 ATOM 13767 O OE2 . GLU B 1 18 ? 7.387 5.607 -8.917 1.00 0.00 ? 18 GLU B OE2 10 ATOM 13768 H H . GLU B 1 18 ? 7.464 1.610 -4.406 1.00 0.00 ? 18 GLU B H 10 ATOM 13769 H HA . GLU B 1 18 ? 5.542 3.704 -4.833 1.00 0.00 ? 18 GLU B HA 10 ATOM 13770 H HB2 . GLU B 1 18 ? 7.828 2.830 -6.148 1.00 0.00 ? 18 GLU B HB2 10 ATOM 13771 H HB3 . GLU B 1 18 ? 6.524 2.395 -7.243 1.00 0.00 ? 18 GLU B HB3 10 ATOM 13772 H HG2 . GLU B 1 18 ? 5.740 4.688 -7.259 1.00 0.00 ? 18 GLU B HG2 10 ATOM 13773 H HG3 . GLU B 1 18 ? 6.991 5.141 -6.103 1.00 0.00 ? 18 GLU B HG3 10 ATOM 13774 N N . ARG B 1 19 ? 4.888 0.623 -5.746 1.00 0.00 ? 19 ARG B N 10 ATOM 13775 C CA . ARG B 1 19 ? 3.820 -0.282 -6.147 1.00 0.00 ? 19 ARG B CA 10 ATOM 13776 C C . ARG B 1 19 ? 2.797 -0.430 -5.028 1.00 0.00 ? 19 ARG B C 10 ATOM 13777 O O . ARG B 1 19 ? 1.620 -0.688 -5.280 1.00 0.00 ? 19 ARG B O 10 ATOM 13778 C CB . ARG B 1 19 ? 4.390 -1.650 -6.523 1.00 0.00 ? 19 ARG B CB 10 ATOM 13779 C CG . ARG B 1 19 ? 5.134 -1.657 -7.848 1.00 0.00 ? 19 ARG B CG 10 ATOM 13780 C CD . ARG B 1 19 ? 4.201 -1.368 -9.012 1.00 0.00 ? 19 ARG B CD 10 ATOM 13781 N NE . ARG B 1 19 ? 4.892 -1.434 -10.297 1.00 0.00 ? 19 ARG B NE 10 ATOM 13782 C CZ . ARG B 1 19 ? 4.266 -1.530 -11.464 1.00 0.00 ? 19 ARG B CZ 10 ATOM 13783 N NH1 . ARG B 1 19 ? 2.941 -1.567 -11.508 1.00 0.00 ? 19 ARG B NH1 10 ATOM 13784 N NH2 . ARG B 1 19 ? 4.964 -1.586 -12.591 1.00 0.00 ? 19 ARG B NH2 10 ATOM 13785 H H . ARG B 1 19 ? 5.768 0.254 -5.520 1.00 0.00 ? 19 ARG B H 10 ATOM 13786 H HA . ARG B 1 19 ? 3.330 0.146 -7.010 1.00 0.00 ? 19 ARG B HA 10 ATOM 13787 H HB2 . ARG B 1 19 ? 5.073 -1.967 -5.749 1.00 0.00 ? 19 ARG B HB2 10 ATOM 13788 H HB3 . ARG B 1 19 ? 3.579 -2.360 -6.587 1.00 0.00 ? 19 ARG B HB3 10 ATOM 13789 H HG2 . ARG B 1 19 ? 5.904 -0.899 -7.820 1.00 0.00 ? 19 ARG B HG2 10 ATOM 13790 H HG3 . ARG B 1 19 ? 5.586 -2.627 -7.991 1.00 0.00 ? 19 ARG B HG3 10 ATOM 13791 H HD2 . ARG B 1 19 ? 3.403 -2.095 -9.006 1.00 0.00 ? 19 ARG B HD2 10 ATOM 13792 H HD3 . ARG B 1 19 ? 3.786 -0.379 -8.887 1.00 0.00 ? 19 ARG B HD3 10 ATOM 13793 H HE . ARG B 1 19 ? 5.872 -1.408 -10.287 1.00 0.00 ? 19 ARG B HE 10 ATOM 13794 H HH11 . ARG B 1 19 ? 2.412 -1.525 -10.661 1.00 0.00 ? 19 ARG B HH11 10 ATOM 13795 H HH12 . ARG B 1 19 ? 2.471 -1.639 -12.388 1.00 0.00 ? 19 ARG B HH12 10 ATOM 13796 H HH21 . ARG B 1 19 ? 5.963 -1.557 -12.562 1.00 0.00 ? 19 ARG B HH21 10 ATOM 13797 H HH22 . ARG B 1 19 ? 4.491 -1.658 -13.469 1.00 0.00 ? 19 ARG B HH22 10 ATOM 13798 N N . LEU B 1 20 ? 3.252 -0.253 -3.791 1.00 0.00 ? 20 LEU B N 10 ATOM 13799 C CA . LEU B 1 20 ? 2.369 -0.357 -2.639 1.00 0.00 ? 20 LEU B CA 10 ATOM 13800 C C . LEU B 1 20 ? 1.448 0.852 -2.577 1.00 0.00 ? 20 LEU B C 10 ATOM 13801 O O . LEU B 1 20 ? 0.260 0.725 -2.283 1.00 0.00 ? 20 LEU B O 10 ATOM 13802 C CB . LEU B 1 20 ? 3.180 -0.465 -1.346 1.00 0.00 ? 20 LEU B CB 10 ATOM 13803 C CG . LEU B 1 20 ? 3.421 -1.891 -0.840 1.00 0.00 ? 20 LEU B CG 10 ATOM 13804 C CD1 . LEU B 1 20 ? 3.788 -2.819 -1.988 1.00 0.00 ? 20 LEU B CD1 10 ATOM 13805 C CD2 . LEU B 1 20 ? 4.511 -1.900 0.222 1.00 0.00 ? 20 LEU B CD2 10 ATOM 13806 H H . LEU B 1 20 ? 4.197 -0.039 -3.653 1.00 0.00 ? 20 LEU B H 10 ATOM 13807 H HA . LEU B 1 20 ? 1.771 -1.248 -2.757 1.00 0.00 ? 20 LEU B HA 10 ATOM 13808 H HB2 . LEU B 1 20 ? 4.138 0.007 -1.505 1.00 0.00 ? 20 LEU B HB2 10 ATOM 13809 H HB3 . LEU B 1 20 ? 2.658 0.079 -0.574 1.00 0.00 ? 20 LEU B HB3 10 ATOM 13810 H HG . LEU B 1 20 ? 2.513 -2.263 -0.389 1.00 0.00 ? 20 LEU B HG 10 ATOM 13811 H HD11 . LEU B 1 20 ? 3.934 -2.240 -2.887 1.00 0.00 ? 20 LEU B HD11 10 ATOM 13812 H HD12 . LEU B 1 20 ? 4.699 -3.346 -1.748 1.00 0.00 ? 20 LEU B HD12 10 ATOM 13813 H HD13 . LEU B 1 20 ? 2.990 -3.531 -2.144 1.00 0.00 ? 20 LEU B HD13 10 ATOM 13814 H HD21 . LEU B 1 20 ? 5.365 -1.345 -0.135 1.00 0.00 ? 20 LEU B HD21 10 ATOM 13815 H HD22 . LEU B 1 20 ? 4.136 -1.442 1.125 1.00 0.00 ? 20 LEU B HD22 10 ATOM 13816 H HD23 . LEU B 1 20 ? 4.803 -2.918 0.428 1.00 0.00 ? 20 LEU B HD23 10 ATOM 13817 N N . GLN B 1 21 ? 2.004 2.026 -2.865 1.00 0.00 ? 21 GLN B N 10 ATOM 13818 C CA . GLN B 1 21 ? 1.230 3.260 -2.851 1.00 0.00 ? 21 GLN B CA 10 ATOM 13819 C C . GLN B 1 21 ? 0.111 3.201 -3.885 1.00 0.00 ? 21 GLN B C 10 ATOM 13820 O O . GLN B 1 21 ? -1.041 3.524 -3.589 1.00 0.00 ? 21 GLN B O 10 ATOM 13821 C CB . GLN B 1 21 ? 2.136 4.461 -3.128 1.00 0.00 ? 21 GLN B CB 10 ATOM 13822 C CG . GLN B 1 21 ? 1.564 5.780 -2.638 1.00 0.00 ? 21 GLN B CG 10 ATOM 13823 C CD . GLN B 1 21 ? 2.583 6.902 -2.665 1.00 0.00 ? 21 GLN B CD 10 ATOM 13824 O OE1 . GLN B 1 21 ? 3.129 7.287 -1.630 1.00 0.00 ? 21 GLN B OE1 10 ATOM 13825 N NE2 . GLN B 1 21 ? 2.845 7.436 -3.853 1.00 0.00 ? 21 GLN B NE2 10 ATOM 13826 H H . GLN B 1 21 ? 2.957 2.061 -3.098 1.00 0.00 ? 21 GLN B H 10 ATOM 13827 H HA . GLN B 1 21 ? 0.792 3.367 -1.869 1.00 0.00 ? 21 GLN B HA 10 ATOM 13828 H HB2 . GLN B 1 21 ? 3.085 4.300 -2.640 1.00 0.00 ? 21 GLN B HB2 10 ATOM 13829 H HB3 . GLN B 1 21 ? 2.297 4.536 -4.194 1.00 0.00 ? 21 GLN B HB3 10 ATOM 13830 H HG2 . GLN B 1 21 ? 0.733 6.055 -3.270 1.00 0.00 ? 21 GLN B HG2 10 ATOM 13831 H HG3 . GLN B 1 21 ? 1.217 5.653 -1.623 1.00 0.00 ? 21 GLN B HG3 10 ATOM 13832 H HE21 . GLN B 1 21 ? 2.372 7.081 -4.634 1.00 0.00 ? 21 GLN B HE21 10 ATOM 13833 H HE22 . GLN B 1 21 ? 3.499 8.163 -3.899 1.00 0.00 ? 21 GLN B HE22 10 ATOM 13834 N N . LYS B 1 22 ? 0.454 2.781 -5.099 1.00 0.00 ? 22 LYS B N 10 ATOM 13835 C CA . LYS B 1 22 ? -0.526 2.675 -6.173 1.00 0.00 ? 22 LYS B CA 10 ATOM 13836 C C . LYS B 1 22 ? -1.587 1.635 -5.831 1.00 0.00 ? 22 LYS B C 10 ATOM 13837 O O . LYS B 1 22 ? -2.745 1.756 -6.230 1.00 0.00 ? 22 LYS B O 10 ATOM 13838 C CB . LYS B 1 22 ? 0.163 2.307 -7.488 1.00 0.00 ? 22 LYS B CB 10 ATOM 13839 C CG . LYS B 1 22 ? -0.548 2.843 -8.719 1.00 0.00 ? 22 LYS B CG 10 ATOM 13840 C CD . LYS B 1 22 ? -0.275 1.982 -9.941 1.00 0.00 ? 22 LYS B CD 10 ATOM 13841 C CE . LYS B 1 22 ? -1.304 0.871 -10.080 1.00 0.00 ? 22 LYS B CE 10 ATOM 13842 N NZ . LYS B 1 22 ? -1.014 -0.012 -11.243 1.00 0.00 ? 22 LYS B NZ 10 ATOM 13843 H H . LYS B 1 22 ? 1.388 2.532 -5.276 1.00 0.00 ? 22 LYS B H 10 ATOM 13844 H HA . LYS B 1 22 ? -1.003 3.637 -6.282 1.00 0.00 ? 22 LYS B HA 10 ATOM 13845 H HB2 . LYS B 1 22 ? 1.168 2.702 -7.478 1.00 0.00 ? 22 LYS B HB2 10 ATOM 13846 H HB3 . LYS B 1 22 ? 0.210 1.230 -7.567 1.00 0.00 ? 22 LYS B HB3 10 ATOM 13847 H HG2 . LYS B 1 22 ? -1.612 2.858 -8.531 1.00 0.00 ? 22 LYS B HG2 10 ATOM 13848 H HG3 . LYS B 1 22 ? -0.202 3.848 -8.913 1.00 0.00 ? 22 LYS B HG3 10 ATOM 13849 H HD2 . LYS B 1 22 ? -0.311 2.603 -10.824 1.00 0.00 ? 22 LYS B HD2 10 ATOM 13850 H HD3 . LYS B 1 22 ? 0.706 1.542 -9.847 1.00 0.00 ? 22 LYS B HD3 10 ATOM 13851 H HE2 . LYS B 1 22 ? -1.297 0.277 -9.178 1.00 0.00 ? 22 LYS B HE2 10 ATOM 13852 H HE3 . LYS B 1 22 ? -2.280 1.315 -10.209 1.00 0.00 ? 22 LYS B HE3 10 ATOM 13853 H HZ1 . LYS B 1 22 ? 0.010 -0.046 -11.419 1.00 0.00 ? 22 LYS B HZ1 10 ATOM 13854 H HZ2 . LYS B 1 22 ? -1.355 -0.976 -11.054 1.00 0.00 ? 22 LYS B HZ2 10 ATOM 13855 H HZ3 . LYS B 1 22 ? -1.490 0.350 -12.094 1.00 0.00 ? 22 LYS B HZ3 10 ATOM 13856 N N . GLU B 1 23 ? -1.180 0.611 -5.085 1.00 0.00 ? 23 GLU B N 10 ATOM 13857 C CA . GLU B 1 23 ? -2.093 -0.452 -4.684 1.00 0.00 ? 23 GLU B CA 10 ATOM 13858 C C . GLU B 1 23 ? -3.123 0.061 -3.684 1.00 0.00 ? 23 GLU B C 10 ATOM 13859 O O . GLU B 1 23 ? -4.280 -0.364 -3.696 1.00 0.00 ? 23 GLU B O 10 ATOM 13860 C CB . GLU B 1 23 ? -1.312 -1.620 -4.076 1.00 0.00 ? 23 GLU B CB 10 ATOM 13861 C CG . GLU B 1 23 ? -1.999 -2.966 -4.243 1.00 0.00 ? 23 GLU B CG 10 ATOM 13862 C CD . GLU B 1 23 ? -3.482 -2.909 -3.929 1.00 0.00 ? 23 GLU B CD 10 ATOM 13863 O OE1 . GLU B 1 23 ? -3.842 -3.041 -2.739 1.00 0.00 ? 23 GLU B OE1 10 ATOM 13864 O OE2 . GLU B 1 23 ? -4.283 -2.732 -4.871 1.00 0.00 ? 23 GLU B OE2 10 ATOM 13865 H H . GLU B 1 23 ? -0.244 0.572 -4.797 1.00 0.00 ? 23 GLU B H 10 ATOM 13866 H HA . GLU B 1 23 ? -2.608 -0.798 -5.568 1.00 0.00 ? 23 GLU B HA 10 ATOM 13867 H HB2 . GLU B 1 23 ? -0.343 -1.674 -4.547 1.00 0.00 ? 23 GLU B HB2 10 ATOM 13868 H HB3 . GLU B 1 23 ? -1.180 -1.437 -3.020 1.00 0.00 ? 23 GLU B HB3 10 ATOM 13869 H HG2 . GLU B 1 23 ? -1.877 -3.294 -5.265 1.00 0.00 ? 23 GLU B HG2 10 ATOM 13870 H HG3 . GLU B 1 23 ? -1.533 -3.678 -3.579 1.00 0.00 ? 23 GLU B HG3 10 ATOM 13871 N N . ILE B 1 24 ? -2.700 0.979 -2.820 1.00 0.00 ? 24 ILE B N 10 ATOM 13872 C CA . ILE B 1 24 ? -3.599 1.543 -1.819 1.00 0.00 ? 24 ILE B CA 10 ATOM 13873 C C . ILE B 1 24 ? -4.685 2.379 -2.499 1.00 0.00 ? 24 ILE B C 10 ATOM 13874 O O . ILE B 1 24 ? -5.858 2.320 -2.128 1.00 0.00 ? 24 ILE B O 10 ATOM 13875 C CB . ILE B 1 24 ? -2.836 2.383 -0.740 1.00 0.00 ? 24 ILE B CB 10 ATOM 13876 C CG1 . ILE B 1 24 ? -2.783 3.879 -1.090 1.00 0.00 ? 24 ILE B CG1 10 ATOM 13877 C CG2 . ILE B 1 24 ? -1.424 1.850 -0.539 1.00 0.00 ? 24 ILE B CG2 10 ATOM 13878 C CD1 . ILE B 1 24 ? -4.052 4.618 -0.727 1.00 0.00 ? 24 ILE B CD1 10 ATOM 13879 H H . ILE B 1 24 ? -1.770 1.283 -2.860 1.00 0.00 ? 24 ILE B H 10 ATOM 13880 H HA . ILE B 1 24 ? -4.079 0.714 -1.315 1.00 0.00 ? 24 ILE B HA 10 ATOM 13881 H HB . ILE B 1 24 ? -3.362 2.267 0.195 1.00 0.00 ? 24 ILE B HB 10 ATOM 13882 H HG12 . ILE B 1 24 ? -1.965 4.340 -0.554 1.00 0.00 ? 24 ILE B HG12 10 ATOM 13883 H HG13 . ILE B 1 24 ? -2.622 3.991 -2.151 1.00 0.00 ? 24 ILE B HG13 10 ATOM 13884 H HG21 . ILE B 1 24 ? -1.408 0.788 -0.732 1.00 0.00 ? 24 ILE B HG21 10 ATOM 13885 H HG22 . ILE B 1 24 ? -0.750 2.351 -1.220 1.00 0.00 ? 24 ILE B HG22 10 ATOM 13886 H HG23 . ILE B 1 24 ? -1.111 2.037 0.477 1.00 0.00 ? 24 ILE B HG23 10 ATOM 13887 H HD11 . ILE B 1 24 ? -4.751 3.930 -0.270 1.00 0.00 ? 24 ILE B HD11 10 ATOM 13888 H HD12 . ILE B 1 24 ? -3.821 5.412 -0.031 1.00 0.00 ? 24 ILE B HD12 10 ATOM 13889 H HD13 . ILE B 1 24 ? -4.491 5.038 -1.619 1.00 0.00 ? 24 ILE B HD13 10 ATOM 13890 N N . GLU B 1 25 ? -4.278 3.151 -3.504 1.00 0.00 ? 25 GLU B N 10 ATOM 13891 C CA . GLU B 1 25 ? -5.207 3.995 -4.246 1.00 0.00 ? 25 GLU B CA 10 ATOM 13892 C C . GLU B 1 25 ? -6.295 3.147 -4.893 1.00 0.00 ? 25 GLU B C 10 ATOM 13893 O O . GLU B 1 25 ? -7.475 3.494 -4.846 1.00 0.00 ? 25 GLU B O 10 ATOM 13894 C CB . GLU B 1 25 ? -4.461 4.795 -5.316 1.00 0.00 ? 25 GLU B CB 10 ATOM 13895 C CG . GLU B 1 25 ? -4.932 6.235 -5.435 1.00 0.00 ? 25 GLU B CG 10 ATOM 13896 C CD . GLU B 1 25 ? -3.782 7.219 -5.526 1.00 0.00 ? 25 GLU B CD 10 ATOM 13897 O OE1 . GLU B 1 25 ? -2.757 6.877 -6.152 1.00 0.00 ? 25 GLU B OE1 10 ATOM 13898 O OE2 . GLU B 1 25 ? -3.905 8.330 -4.970 1.00 0.00 ? 25 GLU B OE2 10 ATOM 13899 H H . GLU B 1 25 ? -3.330 3.150 -3.754 1.00 0.00 ? 25 GLU B H 10 ATOM 13900 H HA . GLU B 1 25 ? -5.665 4.679 -3.548 1.00 0.00 ? 25 GLU B HA 10 ATOM 13901 H HB2 . GLU B 1 25 ? -3.409 4.801 -5.076 1.00 0.00 ? 25 GLU B HB2 10 ATOM 13902 H HB3 . GLU B 1 25 ? -4.601 4.313 -6.272 1.00 0.00 ? 25 GLU B HB3 10 ATOM 13903 H HG2 . GLU B 1 25 ? -5.537 6.330 -6.325 1.00 0.00 ? 25 GLU B HG2 10 ATOM 13904 H HG3 . GLU B 1 25 ? -5.527 6.479 -4.568 1.00 0.00 ? 25 GLU B HG3 10 ATOM 13905 N N . ARG B 1 26 ? -5.891 2.029 -5.487 1.00 0.00 ? 26 ARG B N 10 ATOM 13906 C CA . ARG B 1 26 ? -6.836 1.128 -6.133 1.00 0.00 ? 26 ARG B CA 10 ATOM 13907 C C . ARG B 1 26 ? -7.916 0.701 -5.147 1.00 0.00 ? 26 ARG B C 10 ATOM 13908 O O . ARG B 1 26 ? -9.110 0.776 -5.443 1.00 0.00 ? 26 ARG B O 10 ATOM 13909 C CB . ARG B 1 26 ? -6.110 -0.103 -6.680 1.00 0.00 ? 26 ARG B CB 10 ATOM 13910 C CG . ARG B 1 26 ? -6.309 -0.313 -8.172 1.00 0.00 ? 26 ARG B CG 10 ATOM 13911 C CD . ARG B 1 26 ? -5.150 -1.081 -8.786 1.00 0.00 ? 26 ARG B CD 10 ATOM 13912 N NE . ARG B 1 26 ? -5.603 -2.081 -9.748 1.00 0.00 ? 26 ARG B NE 10 ATOM 13913 C CZ . ARG B 1 26 ? -4.803 -2.670 -10.631 1.00 0.00 ? 26 ARG B CZ 10 ATOM 13914 N NH1 . ARG B 1 26 ? -3.514 -2.357 -10.672 1.00 0.00 ? 26 ARG B NH1 10 ATOM 13915 N NH2 . ARG B 1 26 ? -5.290 -3.570 -11.473 1.00 0.00 ? 26 ARG B NH2 10 ATOM 13916 H H . ARG B 1 26 ? -4.936 1.803 -5.485 1.00 0.00 ? 26 ARG B H 10 ATOM 13917 H HA . ARG B 1 26 ? -7.298 1.659 -6.951 1.00 0.00 ? 26 ARG B HA 10 ATOM 13918 H HB2 . ARG B 1 26 ? -5.052 0.003 -6.491 1.00 0.00 ? 26 ARG B HB2 10 ATOM 13919 H HB3 . ARG B 1 26 ? -6.473 -0.980 -6.164 1.00 0.00 ? 26 ARG B HB3 10 ATOM 13920 H HG2 . ARG B 1 26 ? -7.220 -0.872 -8.329 1.00 0.00 ? 26 ARG B HG2 10 ATOM 13921 H HG3 . ARG B 1 26 ? -6.389 0.650 -8.654 1.00 0.00 ? 26 ARG B HG3 10 ATOM 13922 H HD2 . ARG B 1 26 ? -4.499 -0.381 -9.290 1.00 0.00 ? 26 ARG B HD2 10 ATOM 13923 H HD3 . ARG B 1 26 ? -4.603 -1.575 -7.997 1.00 0.00 ? 26 ARG B HD3 10 ATOM 13924 H HE . ARG B 1 26 ? -6.552 -2.326 -9.735 1.00 0.00 ? 26 ARG B HE 10 ATOM 13925 H HH11 . ARG B 1 26 ? -3.144 -1.679 -10.038 1.00 0.00 ? 26 ARG B HH11 10 ATOM 13926 H HH12 . ARG B 1 26 ? -2.914 -2.801 -11.337 1.00 0.00 ? 26 ARG B HH12 10 ATOM 13927 H HH21 . ARG B 1 26 ? -6.260 -3.808 -11.445 1.00 0.00 ? 26 ARG B HH21 10 ATOM 13928 H HH22 . ARG B 1 26 ? -4.685 -4.012 -12.137 1.00 0.00 ? 26 ARG B HH22 10 ATOM 13929 N N . HIS B 1 27 ? -7.488 0.267 -3.966 1.00 0.00 ? 27 HIS B N 10 ATOM 13930 C CA . HIS B 1 27 ? -8.419 -0.157 -2.930 1.00 0.00 ? 27 HIS B CA 10 ATOM 13931 C C . HIS B 1 27 ? -9.306 1.007 -2.504 1.00 0.00 ? 27 HIS B C 10 ATOM 13932 O O . HIS B 1 27 ? -10.427 0.807 -2.037 1.00 0.00 ? 27 HIS B O 10 ATOM 13933 C CB . HIS B 1 27 ? -7.659 -0.707 -1.721 1.00 0.00 ? 27 HIS B CB 10 ATOM 13934 C CG . HIS B 1 27 ? -7.914 -2.159 -1.463 1.00 0.00 ? 27 HIS B CG 10 ATOM 13935 N ND1 . HIS B 1 27 ? -9.033 -2.620 -0.801 1.00 0.00 ? 27 HIS B ND1 10 ATOM 13936 C CD2 . HIS B 1 27 ? -7.188 -3.257 -1.781 1.00 0.00 ? 27 HIS B CD2 10 ATOM 13937 C CE1 . HIS B 1 27 ? -8.984 -3.939 -0.723 1.00 0.00 ? 27 HIS B CE1 10 ATOM 13938 N NE2 . HIS B 1 27 ? -7.875 -4.349 -1.309 1.00 0.00 ? 27 HIS B NE2 10 ATOM 13939 H H . HIS B 1 27 ? -6.525 0.240 -3.783 1.00 0.00 ? 27 HIS B H 10 ATOM 13940 H HA . HIS B 1 27 ? -9.041 -0.939 -3.340 1.00 0.00 ? 27 HIS B HA 10 ATOM 13941 H HB2 . HIS B 1 27 ? -6.599 -0.580 -1.883 1.00 0.00 ? 27 HIS B HB2 10 ATOM 13942 H HB3 . HIS B 1 27 ? -7.951 -0.154 -0.840 1.00 0.00 ? 27 HIS B HB3 10 ATOM 13943 H HD1 . HIS B 1 27 ? -9.756 -2.064 -0.442 1.00 0.00 ? 27 HIS B HD1 10 ATOM 13944 H HD2 . HIS B 1 27 ? -6.243 -3.271 -2.307 1.00 0.00 ? 27 HIS B HD2 10 ATOM 13945 H HE1 . HIS B 1 27 ? -9.725 -4.573 -0.259 1.00 0.00 ? 27 HIS B HE1 10 ATOM 13946 H HE2 . HIS B 1 27 ? -7.590 -5.282 -1.395 1.00 0.00 ? 27 HIS B HE2 10 ATOM 13947 N N . LYS B 1 28 ? -8.795 2.224 -2.675 1.00 0.00 ? 28 LYS B N 10 ATOM 13948 C CA . LYS B 1 28 ? -9.539 3.424 -2.313 1.00 0.00 ? 28 LYS B CA 10 ATOM 13949 C C . LYS B 1 28 ? -10.657 3.693 -3.314 1.00 0.00 ? 28 LYS B C 10 ATOM 13950 O O . LYS B 1 28 ? -11.688 4.272 -2.971 1.00 0.00 ? 28 LYS B O 10 ATOM 13951 C CB . LYS B 1 28 ? -8.602 4.632 -2.244 1.00 0.00 ? 28 LYS B CB 10 ATOM 13952 C CG . LYS B 1 28 ? -9.154 5.783 -1.419 1.00 0.00 ? 28 LYS B CG 10 ATOM 13953 C CD . LYS B 1 28 ? -8.884 7.123 -2.082 1.00 0.00 ? 28 LYS B CD 10 ATOM 13954 C CE . LYS B 1 28 ? -9.950 7.459 -3.113 1.00 0.00 ? 28 LYS B CE 10 ATOM 13955 N NZ . LYS B 1 28 ? -10.688 8.703 -2.762 1.00 0.00 ? 28 LYS B NZ 10 ATOM 13956 H H . LYS B 1 28 ? -7.898 2.317 -3.054 1.00 0.00 ? 28 LYS B H 10 ATOM 13957 H HA . LYS B 1 28 ? -9.975 3.263 -1.340 1.00 0.00 ? 28 LYS B HA 10 ATOM 13958 H HB2 . LYS B 1 28 ? -7.665 4.320 -1.805 1.00 0.00 ? 28 LYS B HB2 10 ATOM 13959 H HB3 . LYS B 1 28 ? -8.419 4.989 -3.246 1.00 0.00 ? 28 LYS B HB3 10 ATOM 13960 H HG2 . LYS B 1 28 ? -10.220 5.655 -1.310 1.00 0.00 ? 28 LYS B HG2 10 ATOM 13961 H HG3 . LYS B 1 28 ? -8.686 5.772 -0.445 1.00 0.00 ? 28 LYS B HG3 10 ATOM 13962 H HD2 . LYS B 1 28 ? -8.874 7.893 -1.326 1.00 0.00 ? 28 LYS B HD2 10 ATOM 13963 H HD3 . LYS B 1 28 ? -7.922 7.084 -2.572 1.00 0.00 ? 28 LYS B HD3 10 ATOM 13964 H HE2 . LYS B 1 28 ? -9.474 7.593 -4.074 1.00 0.00 ? 28 LYS B HE2 10 ATOM 13965 H HE3 . LYS B 1 28 ? -10.649 6.638 -3.170 1.00 0.00 ? 28 LYS B HE3 10 ATOM 13966 H HZ1 . LYS B 1 28 ? -10.645 8.868 -1.736 1.00 0.00 ? 28 LYS B HZ1 10 ATOM 13967 H HZ2 . LYS B 1 28 ? -10.268 9.519 -3.251 1.00 0.00 ? 28 LYS B HZ2 10 ATOM 13968 H HZ3 . LYS B 1 28 ? -11.686 8.619 -3.047 1.00 0.00 ? 28 LYS B HZ3 10 ATOM 13969 N N . GLN B 1 29 ? -10.447 3.267 -4.555 1.00 0.00 ? 29 GLN B N 10 ATOM 13970 C CA . GLN B 1 29 ? -11.439 3.460 -5.605 1.00 0.00 ? 29 GLN B CA 10 ATOM 13971 C C . GLN B 1 29 ? -12.585 2.466 -5.449 1.00 0.00 ? 29 GLN B C 10 ATOM 13972 O O . GLN B 1 29 ? -13.738 2.780 -5.744 1.00 0.00 ? 29 GLN B O 10 ATOM 13973 C CB . GLN B 1 29 ? -10.795 3.304 -6.984 1.00 0.00 ? 29 GLN B CB 10 ATOM 13974 C CG . GLN B 1 29 ? -11.585 3.961 -8.103 1.00 0.00 ? 29 GLN B CG 10 ATOM 13975 C CD . GLN B 1 29 ? -11.082 5.352 -8.434 1.00 0.00 ? 29 GLN B CD 10 ATOM 13976 O OE1 . GLN B 1 29 ? -10.060 5.797 -7.910 1.00 0.00 ? 29 GLN B OE1 10 ATOM 13977 N NE2 . GLN B 1 29 ? -11.799 6.049 -9.309 1.00 0.00 ? 29 GLN B NE2 10 ATOM 13978 H H . GLN B 1 29 ? -9.607 2.811 -4.770 1.00 0.00 ? 29 GLN B H 10 ATOM 13979 H HA . GLN B 1 29 ? -11.832 4.461 -5.511 1.00 0.00 ? 29 GLN B HA 10 ATOM 13980 H HB2 . GLN B 1 29 ? -9.810 3.747 -6.960 1.00 0.00 ? 29 GLN B HB2 10 ATOM 13981 H HB3 . GLN B 1 29 ? -10.701 2.251 -7.208 1.00 0.00 ? 29 GLN B HB3 10 ATOM 13982 H HG2 . GLN B 1 29 ? -11.510 3.348 -8.989 1.00 0.00 ? 29 GLN B HG2 10 ATOM 13983 H HG3 . GLN B 1 29 ? -12.620 4.031 -7.802 1.00 0.00 ? 29 GLN B HG3 10 ATOM 13984 H HE21 . GLN B 1 29 ? -12.600 5.631 -9.687 1.00 0.00 ? 29 GLN B HE21 10 ATOM 13985 H HE22 . GLN B 1 29 ? -11.495 6.951 -9.542 1.00 0.00 ? 29 GLN B HE22 10 ATOM 13986 N N . SER B 1 30 ? -12.260 1.266 -4.979 1.00 0.00 ? 30 SER B N 10 ATOM 13987 C CA . SER B 1 30 ? -13.263 0.225 -4.780 1.00 0.00 ? 30 SER B CA 10 ATOM 13988 C C . SER B 1 30 ? -14.130 0.534 -3.561 1.00 0.00 ? 30 SER B C 10 ATOM 13989 O O . SER B 1 30 ? -15.346 0.343 -3.589 1.00 0.00 ? 30 SER B O 10 ATOM 13990 C CB . SER B 1 30 ? -12.587 -1.137 -4.610 1.00 0.00 ? 30 SER B CB 10 ATOM 13991 O OG . SER B 1 30 ? -12.494 -1.817 -5.849 1.00 0.00 ? 30 SER B OG 10 ATOM 13992 H H . SER B 1 30 ? -11.321 1.075 -4.760 1.00 0.00 ? 30 SER B H 10 ATOM 13993 H HA . SER B 1 30 ? -13.892 0.199 -5.657 1.00 0.00 ? 30 SER B HA 10 ATOM 13994 H HB2 . SER B 1 30 ? -11.593 -0.997 -4.215 1.00 0.00 ? 30 SER B HB2 10 ATOM 13995 H HB3 . SER B 1 30 ? -13.165 -1.740 -3.924 1.00 0.00 ? 30 SER B HB3 10 ATOM 13996 H HG . SER B 1 30 ? -11.572 -2.000 -6.045 1.00 0.00 ? 30 SER B HG 10 ATOM 13997 N N . ILE B 1 31 ? -13.496 1.012 -2.495 1.00 0.00 ? 31 ILE B N 10 ATOM 13998 C CA . ILE B 1 31 ? -14.206 1.351 -1.264 1.00 0.00 ? 31 ILE B CA 10 ATOM 13999 C C . ILE B 1 31 ? -15.023 2.628 -1.441 1.00 0.00 ? 31 ILE B C 10 ATOM 14000 O O . ILE B 1 31 ? -16.055 2.809 -0.794 1.00 0.00 ? 31 ILE B O 10 ATOM 14001 C CB . ILE B 1 31 ? -13.216 1.517 -0.086 1.00 0.00 ? 31 ILE B CB 10 ATOM 14002 C CG1 . ILE B 1 31 ? -13.907 2.045 1.177 1.00 0.00 ? 31 ILE B CG1 10 ATOM 14003 C CG2 . ILE B 1 31 ? -12.080 2.448 -0.473 1.00 0.00 ? 31 ILE B CG2 10 ATOM 14004 C CD1 . ILE B 1 31 ? -14.668 0.993 1.939 1.00 0.00 ? 31 ILE B CD1 10 ATOM 14005 H H . ILE B 1 31 ? -12.525 1.141 -2.537 1.00 0.00 ? 31 ILE B H 10 ATOM 14006 H HA . ILE B 1 31 ? -14.876 0.536 -1.032 1.00 0.00 ? 31 ILE B HA 10 ATOM 14007 H HB . ILE B 1 31 ? -12.794 0.545 0.126 1.00 0.00 ? 31 ILE B HB 10 ATOM 14008 H HG12 . ILE B 1 31 ? -13.158 2.447 1.840 1.00 0.00 ? 31 ILE B HG12 10 ATOM 14009 H HG13 . ILE B 1 31 ? -14.598 2.827 0.910 1.00 0.00 ? 31 ILE B HG13 10 ATOM 14010 H HG21 . ILE B 1 31 ? -12.177 2.725 -1.511 1.00 0.00 ? 31 ILE B HG21 10 ATOM 14011 H HG22 . ILE B 1 31 ? -12.121 3.337 0.139 1.00 0.00 ? 31 ILE B HG22 10 ATOM 14012 H HG23 . ILE B 1 31 ? -11.136 1.949 -0.318 1.00 0.00 ? 31 ILE B HG23 10 ATOM 14013 H HD11 . ILE B 1 31 ? -14.020 0.151 2.132 1.00 0.00 ? 31 ILE B HD11 10 ATOM 14014 H HD12 . ILE B 1 31 ? -15.009 1.406 2.876 1.00 0.00 ? 31 ILE B HD12 10 ATOM 14015 H HD13 . ILE B 1 31 ? -15.517 0.670 1.358 1.00 0.00 ? 31 ILE B HD13 10 ATOM 14016 N N . LYS B 1 32 ? -14.556 3.510 -2.317 1.00 0.00 ? 32 LYS B N 10 ATOM 14017 C CA . LYS B 1 32 ? -15.247 4.769 -2.570 1.00 0.00 ? 32 LYS B CA 10 ATOM 14018 C C . LYS B 1 32 ? -16.433 4.563 -3.507 1.00 0.00 ? 32 LYS B C 10 ATOM 14019 O O . LYS B 1 32 ? -17.444 5.259 -3.406 1.00 0.00 ? 32 LYS B O 10 ATOM 14020 C CB . LYS B 1 32 ? -14.281 5.793 -3.166 1.00 0.00 ? 32 LYS B CB 10 ATOM 14021 C CG . LYS B 1 32 ? -13.464 6.536 -2.122 1.00 0.00 ? 32 LYS B CG 10 ATOM 14022 C CD . LYS B 1 32 ? -14.133 7.839 -1.714 1.00 0.00 ? 32 LYS B CD 10 ATOM 14023 C CE . LYS B 1 32 ? -13.818 8.200 -0.272 1.00 0.00 ? 32 LYS B CE 10 ATOM 14024 N NZ . LYS B 1 32 ? -14.684 9.303 0.228 1.00 0.00 ? 32 LYS B NZ 10 ATOM 14025 H H . LYS B 1 32 ? -13.728 3.312 -2.802 1.00 0.00 ? 32 LYS B H 10 ATOM 14026 H HA . LYS B 1 32 ? -15.614 5.140 -1.625 1.00 0.00 ? 32 LYS B HA 10 ATOM 14027 H HB2 . LYS B 1 32 ? -13.598 5.284 -3.831 1.00 0.00 ? 32 LYS B HB2 10 ATOM 14028 H HB3 . LYS B 1 32 ? -14.847 6.518 -3.731 1.00 0.00 ? 32 LYS B HB3 10 ATOM 14029 H HG2 . LYS B 1 32 ? -13.358 5.909 -1.248 1.00 0.00 ? 32 LYS B HG2 10 ATOM 14030 H HG3 . LYS B 1 32 ? -12.489 6.755 -2.530 1.00 0.00 ? 32 LYS B HG3 10 ATOM 14031 H HD2 . LYS B 1 32 ? -13.781 8.630 -2.357 1.00 0.00 ? 32 LYS B HD2 10 ATOM 14032 H HD3 . LYS B 1 32 ? -15.203 7.732 -1.823 1.00 0.00 ? 32 LYS B HD3 10 ATOM 14033 H HE2 . LYS B 1 32 ? -13.970 7.328 0.347 1.00 0.00 ? 32 LYS B HE2 10 ATOM 14034 H HE3 . LYS B 1 32 ? -12.784 8.508 -0.208 1.00 0.00 ? 32 LYS B HE3 10 ATOM 14035 H HZ1 . LYS B 1 32 ? -14.992 9.902 -0.566 1.00 0.00 ? 32 LYS B HZ1 10 ATOM 14036 H HZ2 . LYS B 1 32 ? -15.525 8.913 0.698 1.00 0.00 ? 32 LYS B HZ2 10 ATOM 14037 H HZ3 . LYS B 1 32 ? -14.160 9.890 0.909 1.00 0.00 ? 32 LYS B HZ3 10 ATOM 14038 N N . LYS B 1 33 ? -16.305 3.604 -4.417 1.00 0.00 ? 33 LYS B N 10 ATOM 14039 C CA . LYS B 1 33 ? -17.370 3.310 -5.370 1.00 0.00 ? 33 LYS B CA 10 ATOM 14040 C C . LYS B 1 33 ? -18.458 2.459 -4.724 1.00 0.00 ? 33 LYS B C 10 ATOM 14041 O O . LYS B 1 33 ? -19.630 2.547 -5.092 1.00 0.00 ? 33 LYS B O 10 ATOM 14042 C CB . LYS B 1 33 ? -16.804 2.591 -6.596 1.00 0.00 ? 33 LYS B CB 10 ATOM 14043 C CG . LYS B 1 33 ? -17.513 2.950 -7.892 1.00 0.00 ? 33 LYS B CG 10 ATOM 14044 C CD . LYS B 1 33 ? -16.780 2.393 -9.101 1.00 0.00 ? 33 LYS B CD 10 ATOM 14045 C CE . LYS B 1 33 ? -17.668 2.386 -10.335 1.00 0.00 ? 33 LYS B CE 10 ATOM 14046 N NZ . LYS B 1 33 ? -16.942 1.892 -11.538 1.00 0.00 ? 33 LYS B NZ 10 ATOM 14047 H H . LYS B 1 33 ? -15.477 3.081 -4.449 1.00 0.00 ? 33 LYS B H 10 ATOM 14048 H HA . LYS B 1 33 ? -17.803 4.249 -5.681 1.00 0.00 ? 33 LYS B HA 10 ATOM 14049 H HB2 . LYS B 1 33 ? -15.760 2.848 -6.698 1.00 0.00 ? 33 LYS B HB2 10 ATOM 14050 H HB3 . LYS B 1 33 ? -16.891 1.526 -6.446 1.00 0.00 ? 33 LYS B HB3 10 ATOM 14051 H HG2 . LYS B 1 33 ? -18.512 2.543 -7.868 1.00 0.00 ? 33 LYS B HG2 10 ATOM 14052 H HG3 . LYS B 1 33 ? -17.564 4.027 -7.976 1.00 0.00 ? 33 LYS B HG3 10 ATOM 14053 H HD2 . LYS B 1 33 ? -15.913 3.004 -9.297 1.00 0.00 ? 33 LYS B HD2 10 ATOM 14054 H HD3 . LYS B 1 33 ? -16.470 1.381 -8.885 1.00 0.00 ? 33 LYS B HD3 10 ATOM 14055 H HE2 . LYS B 1 33 ? -18.515 1.743 -10.149 1.00 0.00 ? 33 LYS B HE2 10 ATOM 14056 H HE3 . LYS B 1 33 ? -18.013 3.392 -10.520 1.00 0.00 ? 33 LYS B HE3 10 ATOM 14057 H HZ1 . LYS B 1 33 ? -16.427 1.017 -11.311 1.00 0.00 ? 33 LYS B HZ1 10 ATOM 14058 H HZ2 . LYS B 1 33 ? -17.616 1.697 -12.306 1.00 0.00 ? 33 LYS B HZ2 10 ATOM 14059 H HZ3 . LYS B 1 33 ? -16.261 2.607 -11.863 1.00 0.00 ? 33 LYS B HZ3 10 ATOM 14060 N N . LEU B 1 34 ? -18.065 1.638 -3.755 1.00 0.00 ? 34 LEU B N 10 ATOM 14061 C CA . LEU B 1 34 ? -19.009 0.774 -3.057 1.00 0.00 ? 34 LEU B CA 10 ATOM 14062 C C . LEU B 1 34 ? -19.763 1.555 -1.987 1.00 0.00 ? 34 LEU B C 10 ATOM 14063 O O . LEU B 1 34 ? -20.922 1.264 -1.692 1.00 0.00 ? 34 LEU B O 10 ATOM 14064 C CB . LEU B 1 34 ? -18.278 -0.410 -2.422 1.00 0.00 ? 34 LEU B CB 10 ATOM 14065 C CG . LEU B 1 34 ? -18.097 -1.624 -3.335 1.00 0.00 ? 34 LEU B CG 10 ATOM 14066 C CD1 . LEU B 1 34 ? -16.855 -2.408 -2.940 1.00 0.00 ? 34 LEU B CD1 10 ATOM 14067 C CD2 . LEU B 1 34 ? -19.329 -2.514 -3.287 1.00 0.00 ? 34 LEU B CD2 10 ATOM 14068 H H . LEU B 1 34 ? -17.118 1.614 -3.504 1.00 0.00 ? 34 LEU B H 10 ATOM 14069 H HA . LEU B 1 34 ? -19.718 0.403 -3.782 1.00 0.00 ? 34 LEU B HA 10 ATOM 14070 H HB2 . LEU B 1 34 ? -17.301 -0.074 -2.105 1.00 0.00 ? 34 LEU B HB2 10 ATOM 14071 H HB3 . LEU B 1 34 ? -18.833 -0.723 -1.551 1.00 0.00 ? 34 LEU B HB3 10 ATOM 14072 H HG . LEU B 1 34 ? -17.968 -1.285 -4.352 1.00 0.00 ? 34 LEU B HG 10 ATOM 14073 H HD11 . LEU B 1 34 ? -16.059 -1.722 -2.694 1.00 0.00 ? 34 LEU B HD11 10 ATOM 14074 H HD12 . LEU B 1 34 ? -17.077 -3.026 -2.083 1.00 0.00 ? 34 LEU B HD12 10 ATOM 14075 H HD13 . LEU B 1 34 ? -16.548 -3.034 -3.765 1.00 0.00 ? 34 LEU B HD13 10 ATOM 14076 H HD21 . LEU B 1 34 ? -20.209 -1.923 -3.498 1.00 0.00 ? 34 LEU B HD21 10 ATOM 14077 H HD22 . LEU B 1 34 ? -19.236 -3.297 -4.024 1.00 0.00 ? 34 LEU B HD22 10 ATOM 14078 H HD23 . LEU B 1 34 ? -19.418 -2.953 -2.304 1.00 0.00 ? 34 LEU B HD23 10 ATOM 14079 N N . LYS B 1 35 ? -19.098 2.552 -1.412 1.00 0.00 ? 35 LYS B N 10 ATOM 14080 C CA . LYS B 1 35 ? -19.707 3.378 -0.377 1.00 0.00 ? 35 LYS B CA 10 ATOM 14081 C C . LYS B 1 35 ? -20.649 4.406 -0.993 1.00 0.00 ? 35 LYS B C 10 ATOM 14082 O O . LYS B 1 35 ? -21.665 4.766 -0.398 1.00 0.00 ? 35 LYS B O 10 ATOM 14083 C CB . LYS B 1 35 ? -18.628 4.084 0.445 1.00 0.00 ? 35 LYS B CB 10 ATOM 14084 C CG . LYS B 1 35 ? -19.029 4.333 1.890 1.00 0.00 ? 35 LYS B CG 10 ATOM 14085 C CD . LYS B 1 35 ? -18.724 5.761 2.314 1.00 0.00 ? 35 LYS B CD 10 ATOM 14086 C CE . LYS B 1 35 ? -17.229 6.036 2.309 1.00 0.00 ? 35 LYS B CE 10 ATOM 14087 N NZ . LYS B 1 35 ? -16.709 6.299 3.679 1.00 0.00 ? 35 LYS B NZ 10 ATOM 14088 H H . LYS B 1 35 ? -18.177 2.739 -1.692 1.00 0.00 ? 35 LYS B H 10 ATOM 14089 H HA . LYS B 1 35 ? -20.277 2.730 0.272 1.00 0.00 ? 35 LYS B HA 10 ATOM 14090 H HB2 . LYS B 1 35 ? -17.734 3.476 0.442 1.00 0.00 ? 35 LYS B HB2 10 ATOM 14091 H HB3 . LYS B 1 35 ? -18.407 5.036 -0.013 1.00 0.00 ? 35 LYS B HB3 10 ATOM 14092 H HG2 . LYS B 1 35 ? -20.089 4.156 1.995 1.00 0.00 ? 35 LYS B HG2 10 ATOM 14093 H HG3 . LYS B 1 35 ? -18.482 3.652 2.527 1.00 0.00 ? 35 LYS B HG3 10 ATOM 14094 H HD2 . LYS B 1 35 ? -19.207 6.440 1.628 1.00 0.00 ? 35 LYS B HD2 10 ATOM 14095 H HD3 . LYS B 1 35 ? -19.107 5.919 3.311 1.00 0.00 ? 35 LYS B HD3 10 ATOM 14096 H HE2 . LYS B 1 35 ? -16.719 5.176 1.899 1.00 0.00 ? 35 LYS B HE2 10 ATOM 14097 H HE3 . LYS B 1 35 ? -17.036 6.898 1.688 1.00 0.00 ? 35 LYS B HE3 10 ATOM 14098 H HZ1 . LYS B 1 35 ? -17.230 7.087 4.114 1.00 0.00 ? 35 LYS B HZ1 10 ATOM 14099 H HZ2 . LYS B 1 35 ? -16.821 5.452 4.273 1.00 0.00 ? 35 LYS B HZ2 10 ATOM 14100 H HZ3 . LYS B 1 35 ? -15.699 6.547 3.636 1.00 0.00 ? 35 LYS B HZ3 10 ATOM 14101 N N . GLN B 1 36 ? -20.307 4.873 -2.189 1.00 0.00 ? 36 GLN B N 10 ATOM 14102 C CA . GLN B 1 36 ? -21.126 5.858 -2.886 1.00 0.00 ? 36 GLN B CA 10 ATOM 14103 C C . GLN B 1 36 ? -22.296 5.182 -3.594 1.00 0.00 ? 36 GLN B C 10 ATOM 14104 O O . GLN B 1 36 ? -23.343 5.794 -3.807 1.00 0.00 ? 36 GLN B O 10 ATOM 14105 C CB . GLN B 1 36 ? -20.280 6.635 -3.896 1.00 0.00 ? 36 GLN B CB 10 ATOM 14106 C CG . GLN B 1 36 ? -19.942 8.048 -3.447 1.00 0.00 ? 36 GLN B CG 10 ATOM 14107 C CD . GLN B 1 36 ? -20.739 9.101 -4.192 1.00 0.00 ? 36 GLN B CD 10 ATOM 14108 O OE1 . GLN B 1 36 ? -20.175 9.947 -4.886 1.00 0.00 ? 36 GLN B OE1 10 ATOM 14109 N NE2 . GLN B 1 36 ? -22.058 9.055 -4.048 1.00 0.00 ? 36 GLN B NE2 10 ATOM 14110 H H . GLN B 1 36 ? -19.487 4.547 -2.615 1.00 0.00 ? 36 GLN B H 10 ATOM 14111 H HA . GLN B 1 36 ? -21.516 6.546 -2.150 1.00 0.00 ? 36 GLN B HA 10 ATOM 14112 H HB2 . GLN B 1 36 ? -19.356 6.101 -4.060 1.00 0.00 ? 36 GLN B HB2 10 ATOM 14113 H HB3 . GLN B 1 36 ? -20.821 6.696 -4.829 1.00 0.00 ? 36 GLN B HB3 10 ATOM 14114 H HG2 . GLN B 1 36 ? -20.154 8.136 -2.393 1.00 0.00 ? 36 GLN B HG2 10 ATOM 14115 H HG3 . GLN B 1 36 ? -18.890 8.224 -3.620 1.00 0.00 ? 36 GLN B HG3 10 ATOM 14116 H HE21 . GLN B 1 36 ? -22.439 8.354 -3.479 1.00 0.00 ? 36 GLN B HE21 10 ATOM 14117 H HE22 . GLN B 1 36 ? -22.599 9.725 -4.519 1.00 0.00 ? 36 GLN B HE22 10 ATOM 14118 N N . SER B 1 37 ? -22.109 3.917 -3.953 1.00 0.00 ? 37 SER B N 10 ATOM 14119 C CA . SER B 1 37 ? -23.150 3.156 -4.635 1.00 0.00 ? 37 SER B CA 10 ATOM 14120 C C . SER B 1 37 ? -24.159 2.604 -3.634 1.00 0.00 ? 37 SER B C 10 ATOM 14121 O O . SER B 1 37 ? -25.323 2.379 -3.971 1.00 0.00 ? 37 SER B O 10 ATOM 14122 C CB . SER B 1 37 ? -22.530 2.010 -5.438 1.00 0.00 ? 37 SER B CB 10 ATOM 14123 O OG . SER B 1 37 ? -22.115 2.451 -6.718 1.00 0.00 ? 37 SER B OG 10 ATOM 14124 H H . SER B 1 37 ? -21.254 3.484 -3.753 1.00 0.00 ? 37 SER B H 10 ATOM 14125 H HA . SER B 1 37 ? -23.660 3.824 -5.312 1.00 0.00 ? 37 SER B HA 10 ATOM 14126 H HB2 . SER B 1 37 ? -21.672 1.625 -4.908 1.00 0.00 ? 37 SER B HB2 10 ATOM 14127 H HB3 . SER B 1 37 ? -23.260 1.223 -5.560 1.00 0.00 ? 37 SER B HB3 10 ATOM 14128 H HG . SER B 1 37 ? -22.083 1.703 -7.320 1.00 0.00 ? 37 SER B HG 10 ATOM 14129 N N . GLU B 1 38 ? -23.708 2.391 -2.403 1.00 0.00 ? 38 GLU B N 10 ATOM 14130 C CA . GLU B 1 38 ? -24.574 1.868 -1.352 1.00 0.00 ? 38 GLU B CA 10 ATOM 14131 C C . GLU B 1 38 ? -25.467 2.969 -0.789 1.00 0.00 ? 38 GLU B C 10 ATOM 14132 O O . GLU B 1 38 ? -26.549 2.698 -0.268 1.00 0.00 ? 38 GLU B O 10 ATOM 14133 C CB . GLU B 1 38 ? -23.735 1.251 -0.232 1.00 0.00 ? 38 GLU B CB 10 ATOM 14134 C CG . GLU B 1 38 ? -24.431 0.107 0.489 1.00 0.00 ? 38 GLU B CG 10 ATOM 14135 C CD . GLU B 1 38 ? -25.082 0.545 1.786 1.00 0.00 ? 38 GLU B CD 10 ATOM 14136 O OE1 . GLU B 1 38 ? -24.424 1.261 2.569 1.00 0.00 ? 38 GLU B OE1 10 ATOM 14137 O OE2 . GLU B 1 38 ? -26.252 0.172 2.018 1.00 0.00 ? 38 GLU B OE2 10 ATOM 14138 H H . GLU B 1 38 ? -22.771 2.592 -2.195 1.00 0.00 ? 38 GLU B H 10 ATOM 14139 H HA . GLU B 1 38 ? -25.198 1.102 -1.788 1.00 0.00 ? 38 GLU B HA 10 ATOM 14140 H HB2 . GLU B 1 38 ? -22.814 0.875 -0.652 1.00 0.00 ? 38 GLU B HB2 10 ATOM 14141 H HB3 . GLU B 1 38 ? -23.504 2.016 0.494 1.00 0.00 ? 38 GLU B HB3 10 ATOM 14142 H HG2 . GLU B 1 38 ? -25.193 -0.299 -0.160 1.00 0.00 ? 38 GLU B HG2 10 ATOM 14143 H HG3 . GLU B 1 38 ? -23.703 -0.659 0.709 1.00 0.00 ? 38 GLU B HG3 10 ATOM 14144 N N . ASP B 1 39 ? -25.007 4.211 -0.896 1.00 0.00 ? 39 ASP B N 10 ATOM 14145 C CA . ASP B 1 39 ? -25.764 5.352 -0.398 1.00 0.00 ? 39 ASP B CA 10 ATOM 14146 C C . ASP B 1 39 ? -26.924 5.685 -1.331 1.00 0.00 ? 39 ASP B C 10 ATOM 14147 O O . ASP B 1 39 ? -27.929 6.256 -0.911 1.00 0.00 ? 39 ASP B O 10 ATOM 14148 C CB . ASP B 1 39 ? -24.852 6.571 -0.246 1.00 0.00 ? 39 ASP B CB 10 ATOM 14149 C CG . ASP B 1 39 ? -25.243 7.442 0.933 1.00 0.00 ? 39 ASP B CG 10 ATOM 14150 O OD1 . ASP B 1 39 ? -26.247 8.174 0.823 1.00 0.00 ? 39 ASP B OD1 10 ATOM 14151 O OD2 . ASP B 1 39 ? -24.542 7.391 1.965 1.00 0.00 ? 39 ASP B OD2 10 ATOM 14152 H H . ASP B 1 39 ? -24.137 4.364 -1.321 1.00 0.00 ? 39 ASP B H 10 ATOM 14153 H HA . ASP B 1 39 ? -26.163 5.089 0.571 1.00 0.00 ? 39 ASP B HA 10 ATOM 14154 H HB2 . ASP B 1 39 ? -23.835 6.236 -0.100 1.00 0.00 ? 39 ASP B HB2 10 ATOM 14155 H HB3 . ASP B 1 39 ? -24.906 7.167 -1.145 1.00 0.00 ? 39 ASP B HB3 10 ATOM 14156 N N . ASP B 1 40 ? -26.776 5.321 -2.602 1.00 0.00 ? 40 ASP B N 10 ATOM 14157 C CA . ASP B 1 40 ? -27.811 5.580 -3.596 1.00 0.00 ? 40 ASP B CA 10 ATOM 14158 C C . ASP B 1 40 ? -27.600 4.721 -4.838 1.00 0.00 ? 40 ASP B C 10 ATOM 14159 O O . ASP B 1 40 ? -26.886 5.111 -5.762 1.00 0.00 ? 40 ASP B O 10 ATOM 14160 C CB . ASP B 1 40 ? -27.818 7.061 -3.982 1.00 0.00 ? 40 ASP B CB 10 ATOM 14161 C CG . ASP B 1 40 ? -26.506 7.503 -4.600 1.00 0.00 ? 40 ASP B CG 10 ATOM 14162 O OD1 . ASP B 1 40 ? -25.565 7.811 -3.839 1.00 0.00 ? 40 ASP B OD1 10 ATOM 14163 O OD2 . ASP B 1 40 ? -26.420 7.540 -5.845 1.00 0.00 ? 40 ASP B OD2 10 ATOM 14164 H H . ASP B 1 40 ? -25.951 4.869 -2.877 1.00 0.00 ? 40 ASP B H 10 ATOM 14165 H HA . ASP B 1 40 ? -28.764 5.328 -3.156 1.00 0.00 ? 40 ASP B HA 10 ATOM 14166 H HB2 . ASP B 1 40 ? -28.608 7.237 -4.696 1.00 0.00 ? 40 ASP B HB2 10 ATOM 14167 H HB3 . ASP B 1 40 ? -27.997 7.656 -3.099 1.00 0.00 ? 40 ASP B HB3 10 ATOM 14168 N N . ASP B 1 41 ? -28.226 3.548 -4.853 1.00 0.00 ? 41 ASP B N 10 ATOM 14169 C CA . ASP B 1 41 ? -28.106 2.633 -5.981 1.00 0.00 ? 41 ASP B CA 10 ATOM 14170 C C . ASP B 1 41 ? -28.416 3.344 -7.294 1.00 0.00 ? 41 ASP B C 10 ATOM 14171 O O . ASP B 1 41 ? -27.467 3.600 -8.065 1.00 0.00 ? 41 ASP B O 10 ATOM 14172 C CB . ASP B 1 41 ? -29.048 1.441 -5.799 1.00 0.00 ? 41 ASP B CB 10 ATOM 14173 C CG . ASP B 1 41 ? -28.302 0.155 -5.500 1.00 0.00 ? 41 ASP B CG 10 ATOM 14174 O OD1 . ASP B 1 41 ? -27.972 -0.078 -4.318 1.00 0.00 ? 41 ASP B OD1 10 ATOM 14175 O OD2 . ASP B 1 41 ? -28.047 -0.618 -6.447 1.00 0.00 ? 41 ASP B OD2 10 ATOM 14176 O OXT . ASP B 1 41 ? -29.604 3.639 -7.541 1.00 0.00 ? 41 ASP B OXT 10 ATOM 14177 H H . ASP B 1 41 ? -28.780 3.293 -4.086 1.00 0.00 ? 41 ASP B H 10 ATOM 14178 H HA . ASP B 1 41 ? -27.088 2.274 -6.011 1.00 0.00 ? 41 ASP B HA 10 ATOM 14179 H HB2 . ASP B 1 41 ? -29.721 1.644 -4.981 1.00 0.00 ? 41 ASP B HB2 10 ATOM 14180 H HB3 . ASP B 1 41 ? -29.620 1.301 -6.705 1.00 0.00 ? 41 ASP B HB3 10 ATOM 14181 N N . ALA A 1 1 ? -30.583 -14.963 2.708 1.00 0.00 ? 1 ALA A N 11 ATOM 14182 C CA . ALA A 1 1 ? -31.683 -14.177 2.090 1.00 0.00 ? 1 ALA A CA 11 ATOM 14183 C C . ALA A 1 1 ? -31.251 -12.737 1.838 1.00 0.00 ? 1 ALA A C 11 ATOM 14184 O O . ALA A 1 1 ? -30.929 -12.363 0.710 1.00 0.00 ? 1 ALA A O 11 ATOM 14185 C CB . ALA A 1 1 ? -32.917 -14.210 2.979 1.00 0.00 ? 1 ALA A CB 11 ATOM 14186 H H1 . ALA A 1 1 ? -30.248 -14.438 3.540 1.00 0.00 ? 1 ALA A H1 11 ATOM 14187 H H2 . ALA A 1 1 ? -30.969 -15.890 2.978 1.00 0.00 ? 1 ALA A H2 11 ATOM 14188 H H3 . ALA A 1 1 ? -29.829 -15.065 1.999 1.00 0.00 ? 1 ALA A H3 11 ATOM 14189 H HA . ALA A 1 1 ? -31.938 -14.635 1.146 1.00 0.00 ? 1 ALA A HA 11 ATOM 14190 H HB1 . ALA A 1 1 ? -32.615 -14.182 4.016 1.00 0.00 ? 1 ALA A HB1 11 ATOM 14191 H HB2 . ALA A 1 1 ? -33.472 -15.117 2.791 1.00 0.00 ? 1 ALA A HB2 11 ATOM 14192 H HB3 . ALA A 1 1 ? -33.540 -13.355 2.762 1.00 0.00 ? 1 ALA A HB3 11 ATOM 14193 N N . LEU A 1 2 ? -31.246 -11.932 2.896 1.00 0.00 ? 2 LEU A N 11 ATOM 14194 C CA . LEU A 1 2 ? -30.853 -10.532 2.789 1.00 0.00 ? 2 LEU A CA 11 ATOM 14195 C C . LEU A 1 2 ? -29.447 -10.404 2.212 1.00 0.00 ? 2 LEU A C 11 ATOM 14196 O O . LEU A 1 2 ? -28.762 -11.403 1.993 1.00 0.00 ? 2 LEU A O 11 ATOM 14197 C CB . LEU A 1 2 ? -30.918 -9.856 4.159 1.00 0.00 ? 2 LEU A CB 11 ATOM 14198 C CG . LEU A 1 2 ? -32.329 -9.634 4.706 1.00 0.00 ? 2 LEU A CG 11 ATOM 14199 C CD1 . LEU A 1 2 ? -33.235 -9.057 3.629 1.00 0.00 ? 2 LEU A CD1 11 ATOM 14200 C CD2 . LEU A 1 2 ? -32.902 -10.936 5.245 1.00 0.00 ? 2 LEU A CD2 11 ATOM 14201 H H . LEU A 1 2 ? -31.512 -12.288 3.769 1.00 0.00 ? 2 LEU A H 11 ATOM 14202 H HA . LEU A 1 2 ? -31.548 -10.043 2.123 1.00 0.00 ? 2 LEU A HA 11 ATOM 14203 H HB2 . LEU A 1 2 ? -30.372 -10.467 4.865 1.00 0.00 ? 2 LEU A HB2 11 ATOM 14204 H HB3 . LEU A 1 2 ? -30.430 -8.895 4.088 1.00 0.00 ? 2 LEU A HB3 11 ATOM 14205 H HG . LEU A 1 2 ? -32.285 -8.925 5.520 1.00 0.00 ? 2 LEU A HG 11 ATOM 14206 H HD11 . LEU A 1 2 ? -32.766 -8.189 3.192 1.00 0.00 ? 2 LEU A HD11 11 ATOM 14207 H HD12 . LEU A 1 2 ? -33.402 -9.800 2.863 1.00 0.00 ? 2 LEU A HD12 11 ATOM 14208 H HD13 . LEU A 1 2 ? -34.180 -8.773 4.067 1.00 0.00 ? 2 LEU A HD13 11 ATOM 14209 H HD21 . LEU A 1 2 ? -32.116 -11.506 5.719 1.00 0.00 ? 2 LEU A HD21 11 ATOM 14210 H HD22 . LEU A 1 2 ? -33.674 -10.718 5.968 1.00 0.00 ? 2 LEU A HD22 11 ATOM 14211 H HD23 . LEU A 1 2 ? -33.322 -11.509 4.432 1.00 0.00 ? 2 LEU A HD23 11 ATOM 14212 N N . LYS A 1 3 ? -29.023 -9.169 1.967 1.00 0.00 ? 3 LYS A N 11 ATOM 14213 C CA . LYS A 1 3 ? -27.698 -8.911 1.416 1.00 0.00 ? 3 LYS A CA 11 ATOM 14214 C C . LYS A 1 3 ? -26.652 -8.832 2.525 1.00 0.00 ? 3 LYS A C 11 ATOM 14215 O O . LYS A 1 3 ? -25.973 -9.815 2.821 1.00 0.00 ? 3 LYS A O 11 ATOM 14216 C CB . LYS A 1 3 ? -27.701 -7.613 0.607 1.00 0.00 ? 3 LYS A CB 11 ATOM 14217 C CG . LYS A 1 3 ? -28.293 -7.766 -0.785 1.00 0.00 ? 3 LYS A CG 11 ATOM 14218 C CD . LYS A 1 3 ? -29.596 -6.995 -0.924 1.00 0.00 ? 3 LYS A CD 11 ATOM 14219 C CE . LYS A 1 3 ? -30.321 -7.354 -2.211 1.00 0.00 ? 3 LYS A CE 11 ATOM 14220 N NZ . LYS A 1 3 ? -30.484 -8.826 -2.365 1.00 0.00 ? 3 LYS A NZ 11 ATOM 14221 H H . LYS A 1 3 ? -29.614 -8.412 2.163 1.00 0.00 ? 3 LYS A H 11 ATOM 14222 H HA . LYS A 1 3 ? -27.447 -9.732 0.761 1.00 0.00 ? 3 LYS A HA 11 ATOM 14223 H HB2 . LYS A 1 3 ? -28.277 -6.871 1.139 1.00 0.00 ? 3 LYS A HB2 11 ATOM 14224 H HB3 . LYS A 1 3 ? -26.684 -7.262 0.505 1.00 0.00 ? 3 LYS A HB3 11 ATOM 14225 H HG2 . LYS A 1 3 ? -27.587 -7.392 -1.510 1.00 0.00 ? 3 LYS A HG2 11 ATOM 14226 H HG3 . LYS A 1 3 ? -28.483 -8.812 -0.971 1.00 0.00 ? 3 LYS A HG3 11 ATOM 14227 H HD2 . LYS A 1 3 ? -30.233 -7.229 -0.085 1.00 0.00 ? 3 LYS A HD2 11 ATOM 14228 H HD3 . LYS A 1 3 ? -29.378 -5.937 -0.927 1.00 0.00 ? 3 LYS A HD3 11 ATOM 14229 H HE2 . LYS A 1 3 ? -31.297 -6.892 -2.200 1.00 0.00 ? 3 LYS A HE2 11 ATOM 14230 H HE3 . LYS A 1 3 ? -29.753 -6.974 -3.048 1.00 0.00 ? 3 LYS A HE3 11 ATOM 14231 H HZ1 . LYS A 1 3 ? -30.776 -9.249 -1.460 1.00 0.00 ? 3 LYS A HZ1 11 ATOM 14232 H HZ2 . LYS A 1 3 ? -31.209 -9.033 -3.081 1.00 0.00 ? 3 LYS A HZ2 11 ATOM 14233 H HZ3 . LYS A 1 3 ? -29.585 -9.256 -2.662 1.00 0.00 ? 3 LYS A HZ3 11 ATOM 14234 N N . LYS A 1 4 ? -26.529 -7.657 3.134 1.00 0.00 ? 4 LYS A N 11 ATOM 14235 C CA . LYS A 1 4 ? -25.566 -7.450 4.211 1.00 0.00 ? 4 LYS A CA 11 ATOM 14236 C C . LYS A 1 4 ? -24.181 -7.942 3.806 1.00 0.00 ? 4 LYS A C 11 ATOM 14237 O O . LYS A 1 4 ? -23.361 -8.289 4.657 1.00 0.00 ? 4 LYS A O 11 ATOM 14238 C CB . LYS A 1 4 ? -26.026 -8.169 5.480 1.00 0.00 ? 4 LYS A CB 11 ATOM 14239 C CG . LYS A 1 4 ? -27.528 -8.113 5.701 1.00 0.00 ? 4 LYS A CG 11 ATOM 14240 C CD . LYS A 1 4 ? -27.957 -6.771 6.272 1.00 0.00 ? 4 LYS A CD 11 ATOM 14241 C CE . LYS A 1 4 ? -28.589 -6.926 7.646 1.00 0.00 ? 4 LYS A CE 11 ATOM 14242 N NZ . LYS A 1 4 ? -29.651 -7.971 7.653 1.00 0.00 ? 4 LYS A NZ 11 ATOM 14243 H H . LYS A 1 4 ? -27.098 -6.910 2.854 1.00 0.00 ? 4 LYS A H 11 ATOM 14244 H HA . LYS A 1 4 ? -25.513 -6.389 4.408 1.00 0.00 ? 4 LYS A HA 11 ATOM 14245 H HB2 . LYS A 1 4 ? -25.731 -9.207 5.419 1.00 0.00 ? 4 LYS A HB2 11 ATOM 14246 H HB3 . LYS A 1 4 ? -25.540 -7.717 6.333 1.00 0.00 ? 4 LYS A HB3 11 ATOM 14247 H HG2 . LYS A 1 4 ? -28.027 -8.267 4.757 1.00 0.00 ? 4 LYS A HG2 11 ATOM 14248 H HG3 . LYS A 1 4 ? -27.810 -8.894 6.391 1.00 0.00 ? 4 LYS A HG3 11 ATOM 14249 H HD2 . LYS A 1 4 ? -27.091 -6.133 6.356 1.00 0.00 ? 4 LYS A HD2 11 ATOM 14250 H HD3 . LYS A 1 4 ? -28.675 -6.319 5.604 1.00 0.00 ? 4 LYS A HD3 11 ATOM 14251 H HE2 . LYS A 1 4 ? -27.822 -7.202 8.353 1.00 0.00 ? 4 LYS A HE2 11 ATOM 14252 H HE3 . LYS A 1 4 ? -29.024 -5.981 7.937 1.00 0.00 ? 4 LYS A HE3 11 ATOM 14253 H HZ1 . LYS A 1 4 ? -29.731 -8.407 6.713 1.00 0.00 ? 4 LYS A HZ1 11 ATOM 14254 H HZ2 . LYS A 1 4 ? -29.420 -8.711 8.346 1.00 0.00 ? 4 LYS A HZ2 11 ATOM 14255 H HZ3 . LYS A 1 4 ? -30.567 -7.548 7.907 1.00 0.00 ? 4 LYS A HZ3 11 ATOM 14256 N N . HIS A 1 5 ? -23.923 -7.966 2.503 1.00 0.00 ? 5 HIS A N 11 ATOM 14257 C CA . HIS A 1 5 ? -22.635 -8.411 1.987 1.00 0.00 ? 5 HIS A CA 11 ATOM 14258 C C . HIS A 1 5 ? -21.797 -7.220 1.541 1.00 0.00 ? 5 HIS A C 11 ATOM 14259 O O . HIS A 1 5 ? -20.567 -7.251 1.606 1.00 0.00 ? 5 HIS A O 11 ATOM 14260 C CB . HIS A 1 5 ? -22.834 -9.378 0.817 1.00 0.00 ? 5 HIS A CB 11 ATOM 14261 C CG . HIS A 1 5 ? -23.878 -8.931 -0.158 1.00 0.00 ? 5 HIS A CG 11 ATOM 14262 N ND1 . HIS A 1 5 ? -24.987 -9.689 -0.474 1.00 0.00 ? 5 HIS A ND1 11 ATOM 14263 C CD2 . HIS A 1 5 ? -23.981 -7.797 -0.891 1.00 0.00 ? 5 HIS A CD2 11 ATOM 14264 C CE1 . HIS A 1 5 ? -25.725 -9.041 -1.358 1.00 0.00 ? 5 HIS A CE1 11 ATOM 14265 N NE2 . HIS A 1 5 ? -25.135 -7.890 -1.625 1.00 0.00 ? 5 HIS A NE2 11 ATOM 14266 H H . HIS A 1 5 ? -24.616 -7.674 1.874 1.00 0.00 ? 5 HIS A H 11 ATOM 14267 H HA . HIS A 1 5 ? -22.118 -8.924 2.783 1.00 0.00 ? 5 HIS A HA 11 ATOM 14268 H HB2 . HIS A 1 5 ? -21.902 -9.479 0.282 1.00 0.00 ? 5 HIS A HB2 11 ATOM 14269 H HB3 . HIS A 1 5 ? -23.129 -10.342 1.203 1.00 0.00 ? 5 HIS A HB3 11 ATOM 14270 H HD1 . HIS A 1 5 ? -25.201 -10.572 -0.105 1.00 0.00 ? 5 HIS A HD1 11 ATOM 14271 H HD2 . HIS A 1 5 ? -23.283 -6.970 -0.894 1.00 0.00 ? 5 HIS A HD2 11 ATOM 14272 H HE1 . HIS A 1 5 ? -26.651 -9.392 -1.787 1.00 0.00 ? 5 HIS A HE1 11 ATOM 14273 H HE2 . HIS A 1 5 ? -25.472 -7.214 -2.250 1.00 0.00 ? 5 HIS A HE2 11 ATOM 14274 N N . HIS A 1 6 ? -22.472 -6.167 1.092 1.00 0.00 ? 6 HIS A N 11 ATOM 14275 C CA . HIS A 1 6 ? -21.791 -4.960 0.638 1.00 0.00 ? 6 HIS A CA 11 ATOM 14276 C C . HIS A 1 6 ? -21.246 -4.170 1.822 1.00 0.00 ? 6 HIS A C 11 ATOM 14277 O O . HIS A 1 6 ? -20.159 -3.598 1.749 1.00 0.00 ? 6 HIS A O 11 ATOM 14278 C CB . HIS A 1 6 ? -22.746 -4.086 -0.178 1.00 0.00 ? 6 HIS A CB 11 ATOM 14279 C CG . HIS A 1 6 ? -22.794 -4.447 -1.630 1.00 0.00 ? 6 HIS A CG 11 ATOM 14280 N ND1 . HIS A 1 6 ? -22.078 -5.497 -2.169 1.00 0.00 ? 6 HIS A ND1 11 ATOM 14281 C CD2 . HIS A 1 6 ? -23.478 -3.894 -2.659 1.00 0.00 ? 6 HIS A CD2 11 ATOM 14282 C CE1 . HIS A 1 6 ? -22.320 -5.571 -3.466 1.00 0.00 ? 6 HIS A CE1 11 ATOM 14283 N NE2 . HIS A 1 6 ? -23.166 -4.610 -3.787 1.00 0.00 ? 6 HIS A NE2 11 ATOM 14284 H H . HIS A 1 6 ? -23.450 -6.202 1.067 1.00 0.00 ? 6 HIS A H 11 ATOM 14285 H HA . HIS A 1 6 ? -20.966 -5.261 0.010 1.00 0.00 ? 6 HIS A HA 11 ATOM 14286 H HB2 . HIS A 1 6 ? -23.744 -4.185 0.222 1.00 0.00 ? 6 HIS A HB2 11 ATOM 14287 H HB3 . HIS A 1 6 ? -22.433 -3.056 -0.101 1.00 0.00 ? 6 HIS A HB3 11 ATOM 14288 H HD1 . HIS A 1 6 ? -21.482 -6.096 -1.675 1.00 0.00 ? 6 HIS A HD1 11 ATOM 14289 H HD2 . HIS A 1 6 ? -24.146 -3.045 -2.602 1.00 0.00 ? 6 HIS A HD2 11 ATOM 14290 H HE1 . HIS A 1 6 ? -21.898 -6.296 -4.147 1.00 0.00 ? 6 HIS A HE1 11 ATOM 14291 H HE2 . HIS A 1 6 ? -23.513 -4.439 -4.687 1.00 0.00 ? 6 HIS A HE2 11 ATOM 14292 N N . GLU A 1 7 ? -22.004 -4.148 2.915 1.00 0.00 ? 7 GLU A N 11 ATOM 14293 C CA . GLU A 1 7 ? -21.589 -3.432 4.114 1.00 0.00 ? 7 GLU A CA 11 ATOM 14294 C C . GLU A 1 7 ? -20.302 -4.026 4.675 1.00 0.00 ? 7 GLU A C 11 ATOM 14295 O O . GLU A 1 7 ? -19.464 -3.313 5.226 1.00 0.00 ? 7 GLU A O 11 ATOM 14296 C CB . GLU A 1 7 ? -22.692 -3.479 5.172 1.00 0.00 ? 7 GLU A CB 11 ATOM 14297 C CG . GLU A 1 7 ? -22.276 -2.893 6.512 1.00 0.00 ? 7 GLU A CG 11 ATOM 14298 C CD . GLU A 1 7 ? -21.840 -3.955 7.502 1.00 0.00 ? 7 GLU A CD 11 ATOM 14299 O OE1 . GLU A 1 7 ? -22.721 -4.591 8.118 1.00 0.00 ? 7 GLU A OE1 11 ATOM 14300 O OE2 . GLU A 1 7 ? -20.616 -4.151 7.661 1.00 0.00 ? 7 GLU A OE2 11 ATOM 14301 H H . GLU A 1 7 ? -22.859 -4.627 2.915 1.00 0.00 ? 7 GLU A H 11 ATOM 14302 H HA . GLU A 1 7 ? -21.405 -2.404 3.840 1.00 0.00 ? 7 GLU A HA 11 ATOM 14303 H HB2 . GLU A 1 7 ? -23.546 -2.923 4.811 1.00 0.00 ? 7 GLU A HB2 11 ATOM 14304 H HB3 . GLU A 1 7 ? -22.982 -4.507 5.329 1.00 0.00 ? 7 GLU A HB3 11 ATOM 14305 H HG2 . GLU A 1 7 ? -21.454 -2.212 6.353 1.00 0.00 ? 7 GLU A HG2 11 ATOM 14306 H HG3 . GLU A 1 7 ? -23.114 -2.354 6.930 1.00 0.00 ? 7 GLU A HG3 11 ATOM 14307 N N . ASN A 1 8 ? -20.149 -5.336 4.520 1.00 0.00 ? 8 ASN A N 11 ATOM 14308 C CA . ASN A 1 8 ? -18.958 -6.024 5.001 1.00 0.00 ? 8 ASN A CA 11 ATOM 14309 C C . ASN A 1 8 ? -17.754 -5.638 4.156 1.00 0.00 ? 8 ASN A C 11 ATOM 14310 O O . ASN A 1 8 ? -16.756 -5.133 4.672 1.00 0.00 ? 8 ASN A O 11 ATOM 14311 C CB . ASN A 1 8 ? -19.163 -7.540 4.964 1.00 0.00 ? 8 ASN A CB 11 ATOM 14312 C CG . ASN A 1 8 ? -20.068 -8.030 6.077 1.00 0.00 ? 8 ASN A CG 11 ATOM 14313 O OD1 . ASN A 1 8 ? -20.604 -7.236 6.852 1.00 0.00 ? 8 ASN A OD1 11 ATOM 14314 N ND2 . ASN A 1 8 ? -20.243 -9.342 6.164 1.00 0.00 ? 8 ASN A ND2 11 ATOM 14315 H H . ASN A 1 8 ? -20.848 -5.849 4.065 1.00 0.00 ? 8 ASN A H 11 ATOM 14316 H HA . ASN A 1 8 ? -18.783 -5.714 6.020 1.00 0.00 ? 8 ASN A HA 11 ATOM 14317 H HB2 . ASN A 1 8 ? -19.608 -7.815 4.019 1.00 0.00 ? 8 ASN A HB2 11 ATOM 14318 H HB3 . ASN A 1 8 ? -18.205 -8.030 5.062 1.00 0.00 ? 8 ASN A HB3 11 ATOM 14319 H HD21 . ASN A 1 8 ? -19.785 -9.915 5.514 1.00 0.00 ? 8 ASN A HD21 11 ATOM 14320 H HD22 . ASN A 1 8 ? -20.823 -9.686 6.876 1.00 0.00 ? 8 ASN A HD22 11 ATOM 14321 N N . GLU A 1 9 ? -17.862 -5.856 2.850 1.00 0.00 ? 9 GLU A N 11 ATOM 14322 C CA . GLU A 1 9 ? -16.787 -5.508 1.933 1.00 0.00 ? 9 GLU A CA 11 ATOM 14323 C C . GLU A 1 9 ? -16.471 -4.016 2.030 1.00 0.00 ? 9 GLU A C 11 ATOM 14324 O O . GLU A 1 9 ? -15.390 -3.576 1.642 1.00 0.00 ? 9 GLU A O 11 ATOM 14325 C CB . GLU A 1 9 ? -17.171 -5.870 0.498 1.00 0.00 ? 9 GLU A CB 11 ATOM 14326 C CG . GLU A 1 9 ? -16.270 -6.926 -0.124 1.00 0.00 ? 9 GLU A CG 11 ATOM 14327 C CD . GLU A 1 9 ? -16.427 -8.284 0.531 1.00 0.00 ? 9 GLU A CD 11 ATOM 14328 O OE1 . GLU A 1 9 ? -15.713 -8.553 1.519 1.00 0.00 ? 9 GLU A OE1 11 ATOM 14329 O OE2 . GLU A 1 9 ? -17.264 -9.080 0.055 1.00 0.00 ? 9 GLU A OE2 11 ATOM 14330 H H . GLU A 1 9 ? -18.688 -6.247 2.494 1.00 0.00 ? 9 GLU A H 11 ATOM 14331 H HA . GLU A 1 9 ? -15.910 -6.070 2.218 1.00 0.00 ? 9 GLU A HA 11 ATOM 14332 H HB2 . GLU A 1 9 ? -18.184 -6.243 0.492 1.00 0.00 ? 9 GLU A HB2 11 ATOM 14333 H HB3 . GLU A 1 9 ? -17.121 -4.981 -0.112 1.00 0.00 ? 9 GLU A HB3 11 ATOM 14334 H HG2 . GLU A 1 9 ? -16.516 -7.018 -1.172 1.00 0.00 ? 9 GLU A HG2 11 ATOM 14335 H HG3 . GLU A 1 9 ? -15.243 -6.610 -0.023 1.00 0.00 ? 9 GLU A HG3 11 ATOM 14336 N N . ILE A 1 10 ? -17.424 -3.244 2.552 1.00 0.00 ? 10 ILE A N 11 ATOM 14337 C CA . ILE A 1 10 ? -17.254 -1.807 2.704 1.00 0.00 ? 10 ILE A CA 11 ATOM 14338 C C . ILE A 1 10 ? -16.244 -1.498 3.815 1.00 0.00 ? 10 ILE A C 11 ATOM 14339 O O . ILE A 1 10 ? -15.288 -0.748 3.610 1.00 0.00 ? 10 ILE A O 11 ATOM 14340 C CB . ILE A 1 10 ? -18.637 -1.120 2.962 1.00 0.00 ? 10 ILE A CB 11 ATOM 14341 C CG1 . ILE A 1 10 ? -18.899 -0.047 1.907 1.00 0.00 ? 10 ILE A CG1 11 ATOM 14342 C CG2 . ILE A 1 10 ? -18.775 -0.523 4.366 1.00 0.00 ? 10 ILE A CG2 11 ATOM 14343 C CD1 . ILE A 1 10 ? -20.143 -0.307 1.087 1.00 0.00 ? 10 ILE A CD1 11 ATOM 14344 H H . ILE A 1 10 ? -18.266 -3.651 2.842 1.00 0.00 ? 10 ILE A H 11 ATOM 14345 H HA . ILE A 1 10 ? -16.859 -1.428 1.771 1.00 0.00 ? 10 ILE A HA 11 ATOM 14346 H HB . ILE A 1 10 ? -19.397 -1.879 2.863 1.00 0.00 ? 10 ILE A HB 11 ATOM 14347 H HG12 . ILE A 1 10 ? -19.017 0.909 2.395 1.00 0.00 ? 10 ILE A HG12 11 ATOM 14348 H HG13 . ILE A 1 10 ? -18.057 0.001 1.233 1.00 0.00 ? 10 ILE A HG13 11 ATOM 14349 H HG21 . ILE A 1 10 ? -18.627 -1.297 5.103 1.00 0.00 ? 10 ILE A HG21 11 ATOM 14350 H HG22 . ILE A 1 10 ? -18.033 0.250 4.503 1.00 0.00 ? 10 ILE A HG22 11 ATOM 14351 H HG23 . ILE A 1 10 ? -19.762 -0.100 4.481 1.00 0.00 ? 10 ILE A HG23 11 ATOM 14352 H HD11 . ILE A 1 10 ? -20.671 -1.156 1.497 1.00 0.00 ? 10 ILE A HD11 11 ATOM 14353 H HD12 . ILE A 1 10 ? -20.782 0.563 1.114 1.00 0.00 ? 10 ILE A HD12 11 ATOM 14354 H HD13 . ILE A 1 10 ? -19.863 -0.517 0.066 1.00 0.00 ? 10 ILE A HD13 11 ATOM 14355 N N . SER A 1 11 ? -16.470 -2.082 4.987 1.00 0.00 ? 11 SER A N 11 ATOM 14356 C CA . SER A 1 11 ? -15.589 -1.870 6.128 1.00 0.00 ? 11 SER A CA 11 ATOM 14357 C C . SER A 1 11 ? -14.199 -2.432 5.857 1.00 0.00 ? 11 SER A C 11 ATOM 14358 O O . SER A 1 11 ? -13.214 -1.993 6.452 1.00 0.00 ? 11 SER A O 11 ATOM 14359 C CB . SER A 1 11 ? -16.179 -2.519 7.382 1.00 0.00 ? 11 SER A CB 11 ATOM 14360 O OG . SER A 1 11 ? -15.911 -3.910 7.410 1.00 0.00 ? 11 SER A OG 11 ATOM 14361 H H . SER A 1 11 ? -17.250 -2.670 5.087 1.00 0.00 ? 11 SER A H 11 ATOM 14362 H HA . SER A 1 11 ? -15.509 -0.806 6.290 1.00 0.00 ? 11 SER A HA 11 ATOM 14363 H HB2 . SER A 1 11 ? -15.744 -2.064 8.259 1.00 0.00 ? 11 SER A HB2 11 ATOM 14364 H HB3 . SER A 1 11 ? -17.249 -2.371 7.391 1.00 0.00 ? 11 SER A HB3 11 ATOM 14365 H HG . SER A 1 11 ? -15.364 -4.116 8.172 1.00 0.00 ? 11 SER A HG 11 ATOM 14366 N N . HIS A 1 12 ? -14.123 -3.408 4.957 1.00 0.00 ? 12 HIS A N 11 ATOM 14367 C CA . HIS A 1 12 ? -12.851 -4.025 4.616 1.00 0.00 ? 12 HIS A CA 11 ATOM 14368 C C . HIS A 1 12 ? -12.041 -3.113 3.689 1.00 0.00 ? 12 HIS A C 11 ATOM 14369 O O . HIS A 1 12 ? -10.835 -2.949 3.872 1.00 0.00 ? 12 HIS A O 11 ATOM 14370 C CB . HIS A 1 12 ? -13.099 -5.429 4.015 1.00 0.00 ? 12 HIS A CB 11 ATOM 14371 C CG . HIS A 1 12 ? -12.411 -5.721 2.711 1.00 0.00 ? 12 HIS A CG 11 ATOM 14372 N ND1 . HIS A 1 12 ? -11.049 -5.904 2.599 1.00 0.00 ? 12 HIS A ND1 11 ATOM 14373 C CD2 . HIS A 1 12 ? -12.912 -5.863 1.463 1.00 0.00 ? 12 HIS A CD2 11 ATOM 14374 C CE1 . HIS A 1 12 ? -10.741 -6.146 1.337 1.00 0.00 ? 12 HIS A CE1 11 ATOM 14375 N NE2 . HIS A 1 12 ? -11.855 -6.128 0.629 1.00 0.00 ? 12 HIS A NE2 11 ATOM 14376 H H . HIS A 1 12 ? -14.941 -3.719 4.514 1.00 0.00 ? 12 HIS A H 11 ATOM 14377 H HA . HIS A 1 12 ? -12.297 -4.139 5.538 1.00 0.00 ? 12 HIS A HA 11 ATOM 14378 H HB2 . HIS A 1 12 ? -12.768 -6.171 4.724 1.00 0.00 ? 12 HIS A HB2 11 ATOM 14379 H HB3 . HIS A 1 12 ? -14.162 -5.551 3.858 1.00 0.00 ? 12 HIS A HB3 11 ATOM 14380 H HD1 . HIS A 1 12 ? -10.403 -5.863 3.335 1.00 0.00 ? 12 HIS A HD1 11 ATOM 14381 H HD2 . HIS A 1 12 ? -13.952 -5.778 1.179 1.00 0.00 ? 12 HIS A HD2 11 ATOM 14382 H HE1 . HIS A 1 12 ? -9.750 -6.330 0.951 1.00 0.00 ? 12 HIS A HE1 11 ATOM 14383 H HE2 . HIS A 1 12 ? -11.915 -6.279 -0.338 1.00 0.00 ? 12 HIS A HE2 11 ATOM 14384 N N . HIS A 1 13 ? -12.706 -2.508 2.707 1.00 0.00 ? 13 HIS A N 11 ATOM 14385 C CA . HIS A 1 13 ? -12.020 -1.606 1.788 1.00 0.00 ? 13 HIS A CA 11 ATOM 14386 C C . HIS A 1 13 ? -11.556 -0.358 2.525 1.00 0.00 ? 13 HIS A C 11 ATOM 14387 O O . HIS A 1 13 ? -10.602 0.296 2.113 1.00 0.00 ? 13 HIS A O 11 ATOM 14388 C CB . HIS A 1 13 ? -12.922 -1.195 0.625 1.00 0.00 ? 13 HIS A CB 11 ATOM 14389 C CG . HIS A 1 13 ? -13.628 -2.323 -0.048 1.00 0.00 ? 13 HIS A CG 11 ATOM 14390 N ND1 . HIS A 1 13 ? -13.111 -3.596 -0.148 1.00 0.00 ? 13 HIS A ND1 11 ATOM 14391 C CD2 . HIS A 1 13 ? -14.825 -2.350 -0.668 1.00 0.00 ? 13 HIS A CD2 11 ATOM 14392 C CE1 . HIS A 1 13 ? -13.965 -4.362 -0.806 1.00 0.00 ? 13 HIS A CE1 11 ATOM 14393 N NE2 . HIS A 1 13 ? -15.013 -3.628 -1.133 1.00 0.00 ? 13 HIS A NE2 11 ATOM 14394 H H . HIS A 1 13 ? -13.669 -2.658 2.607 1.00 0.00 ? 13 HIS A H 11 ATOM 14395 H HA . HIS A 1 13 ? -11.156 -2.124 1.399 1.00 0.00 ? 13 HIS A HA 11 ATOM 14396 H HB2 . HIS A 1 13 ? -13.673 -0.513 0.989 1.00 0.00 ? 13 HIS A HB2 11 ATOM 14397 H HB3 . HIS A 1 13 ? -12.322 -0.690 -0.119 1.00 0.00 ? 13 HIS A HB3 11 ATOM 14398 H HD1 . HIS A 1 13 ? -12.246 -3.894 0.205 1.00 0.00 ? 13 HIS A HD1 11 ATOM 14399 H HD2 . HIS A 1 13 ? -15.501 -1.515 -0.782 1.00 0.00 ? 13 HIS A HD2 11 ATOM 14400 H HE1 . HIS A 1 13 ? -13.828 -5.409 -1.037 1.00 0.00 ? 13 HIS A HE1 11 ATOM 14401 H HE2 . HIS A 1 13 ? -15.798 -3.948 -1.625 1.00 0.00 ? 13 HIS A HE2 11 ATOM 14402 N N . ALA A 1 14 ? -12.242 -0.033 3.620 1.00 0.00 ? 14 ALA A N 11 ATOM 14403 C CA . ALA A 1 14 ? -11.894 1.137 4.414 1.00 0.00 ? 14 ALA A CA 11 ATOM 14404 C C . ALA A 1 14 ? -10.580 0.903 5.140 1.00 0.00 ? 14 ALA A C 11 ATOM 14405 O O . ALA A 1 14 ? -9.631 1.674 4.991 1.00 0.00 ? 14 ALA A O 11 ATOM 14406 C CB . ALA A 1 14 ? -13.004 1.459 5.405 1.00 0.00 ? 14 ALA A CB 11 ATOM 14407 H H . ALA A 1 14 ? -12.996 -0.591 3.899 1.00 0.00 ? 14 ALA A H 11 ATOM 14408 H HA . ALA A 1 14 ? -11.781 1.977 3.744 1.00 0.00 ? 14 ALA A HA 11 ATOM 14409 H HB1 . ALA A 1 14 ? -12.704 2.292 6.023 1.00 0.00 ? 14 ALA A HB1 11 ATOM 14410 H HB2 . ALA A 1 14 ? -13.904 1.714 4.866 1.00 0.00 ? 14 ALA A HB2 11 ATOM 14411 H HB3 . ALA A 1 14 ? -13.190 0.596 6.028 1.00 0.00 ? 14 ALA A HB3 11 ATOM 14412 N N . LYS A 1 15 ? -10.522 -0.180 5.905 1.00 0.00 ? 15 LYS A N 11 ATOM 14413 C CA . LYS A 1 15 ? -9.310 -0.527 6.626 1.00 0.00 ? 15 LYS A CA 11 ATOM 14414 C C . LYS A 1 15 ? -8.213 -0.947 5.649 1.00 0.00 ? 15 LYS A C 11 ATOM 14415 O O . LYS A 1 15 ? -7.045 -1.055 6.024 1.00 0.00 ? 15 LYS A O 11 ATOM 14416 C CB . LYS A 1 15 ? -9.585 -1.655 7.623 1.00 0.00 ? 15 LYS A CB 11 ATOM 14417 C CG . LYS A 1 15 ? -10.019 -1.164 8.994 1.00 0.00 ? 15 LYS A CG 11 ATOM 14418 C CD . LYS A 1 15 ? -8.854 -0.563 9.763 1.00 0.00 ? 15 LYS A CD 11 ATOM 14419 C CE . LYS A 1 15 ? -9.049 0.926 9.998 1.00 0.00 ? 15 LYS A CE 11 ATOM 14420 N NZ . LYS A 1 15 ? -9.510 1.215 11.384 1.00 0.00 ? 15 LYS A NZ 11 ATOM 14421 H H . LYS A 1 15 ? -11.306 -0.768 5.968 1.00 0.00 ? 15 LYS A H 11 ATOM 14422 H HA . LYS A 1 15 ? -8.981 0.349 7.166 1.00 0.00 ? 15 LYS A HA 11 ATOM 14423 H HB2 . LYS A 1 15 ? -10.368 -2.287 7.226 1.00 0.00 ? 15 LYS A HB2 11 ATOM 14424 H HB3 . LYS A 1 15 ? -8.687 -2.243 7.742 1.00 0.00 ? 15 LYS A HB3 11 ATOM 14425 H HG2 . LYS A 1 15 ? -10.782 -0.410 8.871 1.00 0.00 ? 15 LYS A HG2 11 ATOM 14426 H HG3 . LYS A 1 15 ? -10.418 -1.996 9.555 1.00 0.00 ? 15 LYS A HG3 11 ATOM 14427 H HD2 . LYS A 1 15 ? -8.772 -1.060 10.719 1.00 0.00 ? 15 LYS A HD2 11 ATOM 14428 H HD3 . LYS A 1 15 ? -7.945 -0.714 9.199 1.00 0.00 ? 15 LYS A HD3 11 ATOM 14429 H HE2 . LYS A 1 15 ? -8.109 1.430 9.828 1.00 0.00 ? 15 LYS A HE2 11 ATOM 14430 H HE3 . LYS A 1 15 ? -9.784 1.294 9.298 1.00 0.00 ? 15 LYS A HE3 11 ATOM 14431 H HZ1 . LYS A 1 15 ? -9.392 0.373 11.982 1.00 0.00 ? 15 LYS A HZ1 11 ATOM 14432 H HZ2 . LYS A 1 15 ? -8.955 1.996 11.789 1.00 0.00 ? 15 LYS A HZ2 11 ATOM 14433 H HZ3 . LYS A 1 15 ? -10.514 1.485 11.377 1.00 0.00 ? 15 LYS A HZ3 11 ATOM 14434 N N . GLU A 1 16 ? -8.596 -1.183 4.391 1.00 0.00 ? 16 GLU A N 11 ATOM 14435 C CA . GLU A 1 16 ? -7.644 -1.590 3.368 1.00 0.00 ? 16 GLU A CA 11 ATOM 14436 C C . GLU A 1 16 ? -6.931 -0.384 2.769 1.00 0.00 ? 16 GLU A C 11 ATOM 14437 O O . GLU A 1 16 ? -5.738 -0.445 2.493 1.00 0.00 ? 16 GLU A O 11 ATOM 14438 C CB . GLU A 1 16 ? -8.353 -2.379 2.265 1.00 0.00 ? 16 GLU A CB 11 ATOM 14439 C CG . GLU A 1 16 ? -8.065 -3.871 2.304 1.00 0.00 ? 16 GLU A CG 11 ATOM 14440 C CD . GLU A 1 16 ? -8.164 -4.449 3.702 1.00 0.00 ? 16 GLU A CD 11 ATOM 14441 O OE1 . GLU A 1 16 ? -8.656 -3.738 4.605 1.00 0.00 ? 16 GLU A OE1 11 ATOM 14442 O OE2 . GLU A 1 16 ? -7.751 -5.611 3.896 1.00 0.00 ? 16 GLU A OE2 11 ATOM 14443 H H . GLU A 1 16 ? -9.536 -1.085 4.146 1.00 0.00 ? 16 GLU A H 11 ATOM 14444 H HA . GLU A 1 16 ? -6.910 -2.226 3.837 1.00 0.00 ? 16 GLU A HA 11 ATOM 14445 H HB2 . GLU A 1 16 ? -9.418 -2.237 2.365 1.00 0.00 ? 16 GLU A HB2 11 ATOM 14446 H HB3 . GLU A 1 16 ? -8.035 -1.999 1.306 1.00 0.00 ? 16 GLU A HB3 11 ATOM 14447 H HG2 . GLU A 1 16 ? -8.777 -4.379 1.671 1.00 0.00 ? 16 GLU A HG2 11 ATOM 14448 H HG3 . GLU A 1 16 ? -7.065 -4.042 1.930 1.00 0.00 ? 16 GLU A HG3 11 ATOM 14449 N N . ILE A 1 17 ? -7.659 0.715 2.574 1.00 0.00 ? 17 ILE A N 11 ATOM 14450 C CA . ILE A 1 17 ? -7.059 1.922 2.015 1.00 0.00 ? 17 ILE A CA 11 ATOM 14451 C C . ILE A 1 17 ? -6.188 2.615 3.059 1.00 0.00 ? 17 ILE A C 11 ATOM 14452 O O . ILE A 1 17 ? -5.152 3.196 2.733 1.00 0.00 ? 17 ILE A O 11 ATOM 14453 C CB . ILE A 1 17 ? -8.136 2.900 1.490 1.00 0.00 ? 17 ILE A CB 11 ATOM 14454 C CG1 . ILE A 1 17 ? -7.499 4.223 1.043 1.00 0.00 ? 17 ILE A CG1 11 ATOM 14455 C CG2 . ILE A 1 17 ? -9.197 3.144 2.551 1.00 0.00 ? 17 ILE A CG2 11 ATOM 14456 C CD1 . ILE A 1 17 ? -8.508 5.297 0.699 1.00 0.00 ? 17 ILE A CD1 11 ATOM 14457 H H . ILE A 1 17 ? -8.614 0.717 2.817 1.00 0.00 ? 17 ILE A H 11 ATOM 14458 H HA . ILE A 1 17 ? -6.433 1.628 1.182 1.00 0.00 ? 17 ILE A HA 11 ATOM 14459 H HB . ILE A 1 17 ? -8.616 2.440 0.638 1.00 0.00 ? 17 ILE A HB 11 ATOM 14460 H HG12 . ILE A 1 17 ? -6.874 4.601 1.837 1.00 0.00 ? 17 ILE A HG12 11 ATOM 14461 H HG13 . ILE A 1 17 ? -6.892 4.045 0.167 1.00 0.00 ? 17 ILE A HG13 11 ATOM 14462 H HG21 . ILE A 1 17 ? -8.721 3.385 3.490 1.00 0.00 ? 17 ILE A HG21 11 ATOM 14463 H HG22 . ILE A 1 17 ? -9.830 3.966 2.247 1.00 0.00 ? 17 ILE A HG22 11 ATOM 14464 H HG23 . ILE A 1 17 ? -9.798 2.255 2.668 1.00 0.00 ? 17 ILE A HG23 11 ATOM 14465 H HD11 . ILE A 1 17 ? -9.340 4.855 0.173 1.00 0.00 ? 17 ILE A HD11 11 ATOM 14466 H HD12 . ILE A 1 17 ? -8.863 5.762 1.607 1.00 0.00 ? 17 ILE A HD12 11 ATOM 14467 H HD13 . ILE A 1 17 ? -8.040 6.043 0.072 1.00 0.00 ? 17 ILE A HD13 11 ATOM 14468 N N . GLU A 1 18 ? -6.609 2.537 4.317 1.00 0.00 ? 18 GLU A N 11 ATOM 14469 C CA . GLU A 1 18 ? -5.862 3.148 5.409 1.00 0.00 ? 18 GLU A CA 11 ATOM 14470 C C . GLU A 1 18 ? -4.639 2.307 5.758 1.00 0.00 ? 18 GLU A C 11 ATOM 14471 O O . GLU A 1 18 ? -3.554 2.839 5.998 1.00 0.00 ? 18 GLU A O 11 ATOM 14472 C CB . GLU A 1 18 ? -6.755 3.313 6.640 1.00 0.00 ? 18 GLU A CB 11 ATOM 14473 C CG . GLU A 1 18 ? -7.034 4.762 6.998 1.00 0.00 ? 18 GLU A CG 11 ATOM 14474 C CD . GLU A 1 18 ? -8.113 4.904 8.053 1.00 0.00 ? 18 GLU A CD 11 ATOM 14475 O OE1 . GLU A 1 18 ? -8.743 3.883 8.399 1.00 0.00 ? 18 GLU A OE1 11 ATOM 14476 O OE2 . GLU A 1 18 ? -8.330 6.037 8.533 1.00 0.00 ? 18 GLU A OE2 11 ATOM 14477 H H . GLU A 1 18 ? -7.438 2.053 4.516 1.00 0.00 ? 18 GLU A H 11 ATOM 14478 H HA . GLU A 1 18 ? -5.531 4.121 5.079 1.00 0.00 ? 18 GLU A HA 11 ATOM 14479 H HB2 . GLU A 1 18 ? -7.698 2.822 6.453 1.00 0.00 ? 18 GLU A HB2 11 ATOM 14480 H HB3 . GLU A 1 18 ? -6.274 2.841 7.484 1.00 0.00 ? 18 GLU A HB3 11 ATOM 14481 H HG2 . GLU A 1 18 ? -6.125 5.209 7.374 1.00 0.00 ? 18 GLU A HG2 11 ATOM 14482 H HG3 . GLU A 1 18 ? -7.349 5.286 6.108 1.00 0.00 ? 18 GLU A HG3 11 ATOM 14483 N N . ARG A 1 19 ? -4.818 0.989 5.780 1.00 0.00 ? 19 ARG A N 11 ATOM 14484 C CA . ARG A 1 19 ? -3.724 0.080 6.094 1.00 0.00 ? 19 ARG A CA 11 ATOM 14485 C C . ARG A 1 19 ? -2.741 0.000 4.932 1.00 0.00 ? 19 ARG A C 11 ATOM 14486 O O . ARG A 1 19 ? -1.564 -0.303 5.122 1.00 0.00 ? 19 ARG A O 11 ATOM 14487 C CB . ARG A 1 19 ? -4.263 -1.314 6.422 1.00 0.00 ? 19 ARG A CB 11 ATOM 14488 C CG . ARG A 1 19 ? -4.973 -1.391 7.764 1.00 0.00 ? 19 ARG A CG 11 ATOM 14489 C CD . ARG A 1 19 ? -4.028 -1.073 8.913 1.00 0.00 ? 19 ARG A CD 11 ATOM 14490 N NE . ARG A 1 19 ? -4.000 0.354 9.220 1.00 0.00 ? 19 ARG A NE 11 ATOM 14491 C CZ . ARG A 1 19 ? -3.035 0.937 9.923 1.00 0.00 ? 19 ARG A CZ 11 ATOM 14492 N NH1 . ARG A 1 19 ? -2.025 0.216 10.391 1.00 0.00 ? 19 ARG A NH1 11 ATOM 14493 N NH2 . ARG A 1 19 ? -3.080 2.241 10.161 1.00 0.00 ? 19 ARG A NH2 11 ATOM 14494 H H . ARG A 1 19 ? -5.704 0.620 5.573 1.00 0.00 ? 19 ARG A H 11 ATOM 14495 H HA . ARG A 1 19 ? -3.206 0.471 6.958 1.00 0.00 ? 19 ARG A HA 11 ATOM 14496 H HB2 . ARG A 1 19 ? -4.961 -1.608 5.653 1.00 0.00 ? 19 ARG A HB2 11 ATOM 14497 H HB3 . ARG A 1 19 ? -3.440 -2.012 6.435 1.00 0.00 ? 19 ARG A HB3 11 ATOM 14498 H HG2 . ARG A 1 19 ? -5.785 -0.679 7.773 1.00 0.00 ? 19 ARG A HG2 11 ATOM 14499 H HG3 . ARG A 1 19 ? -5.364 -2.389 7.897 1.00 0.00 ? 19 ARG A HG3 11 ATOM 14500 H HD2 . ARG A 1 19 ? -4.354 -1.613 9.790 1.00 0.00 ? 19 ARG A HD2 11 ATOM 14501 H HD3 . ARG A 1 19 ? -3.032 -1.393 8.642 1.00 0.00 ? 19 ARG A HD3 11 ATOM 14502 H HE . ARG A 1 19 ? -4.738 0.905 8.884 1.00 0.00 ? 19 ARG A HE 11 ATOM 14503 H HH11 . ARG A 1 19 ? -1.987 -0.767 10.213 1.00 0.00 ? 19 ARG A HH11 11 ATOM 14504 H HH12 . ARG A 1 19 ? -1.300 0.657 10.920 1.00 0.00 ? 19 ARG A HH12 11 ATOM 14505 H HH21 . ARG A 1 19 ? -3.840 2.787 9.810 1.00 0.00 ? 19 ARG A HH21 11 ATOM 14506 H HH22 . ARG A 1 19 ? -2.353 2.677 10.691 1.00 0.00 ? 19 ARG A HH22 11 ATOM 14507 N N . LEU A 1 20 ? -3.230 0.285 3.730 1.00 0.00 ? 20 LEU A N 11 ATOM 14508 C CA . LEU A 1 20 ? -2.388 0.256 2.543 1.00 0.00 ? 20 LEU A CA 11 ATOM 14509 C C . LEU A 1 20 ? -1.465 1.465 2.532 1.00 0.00 ? 20 LEU A C 11 ATOM 14510 O O . LEU A 1 20 ? -0.293 1.359 2.171 1.00 0.00 ? 20 LEU A O 11 ATOM 14511 C CB . LEU A 1 20 ? -3.244 0.233 1.273 1.00 0.00 ? 20 LEU A CB 11 ATOM 14512 C CG . LEU A 1 20 ? -3.504 -1.157 0.683 1.00 0.00 ? 20 LEU A CG 11 ATOM 14513 C CD1 . LEU A 1 20 ? -2.309 -1.619 -0.137 1.00 0.00 ? 20 LEU A CD1 11 ATOM 14514 C CD2 . LEU A 1 20 ? -3.818 -2.164 1.781 1.00 0.00 ? 20 LEU A CD2 11 ATOM 14515 H H . LEU A 1 20 ? -4.175 0.529 3.641 1.00 0.00 ? 20 LEU A H 11 ATOM 14516 H HA . LEU A 1 20 ? -1.789 -0.642 2.583 1.00 0.00 ? 20 LEU A HA 11 ATOM 14517 H HB2 . LEU A 1 20 ? -4.194 0.693 1.496 1.00 0.00 ? 20 LEU A HB2 11 ATOM 14518 H HB3 . LEU A 1 20 ? -2.747 0.826 0.524 1.00 0.00 ? 20 LEU A HB3 11 ATOM 14519 H HG . LEU A 1 20 ? -4.358 -1.104 0.022 1.00 0.00 ? 20 LEU A HG 11 ATOM 14520 H HD11 . LEU A 1 20 ? -2.015 -0.834 -0.818 1.00 0.00 ? 20 LEU A HD11 11 ATOM 14521 H HD12 . LEU A 1 20 ? -1.487 -1.849 0.524 1.00 0.00 ? 20 LEU A HD12 11 ATOM 14522 H HD13 . LEU A 1 20 ? -2.577 -2.501 -0.698 1.00 0.00 ? 20 LEU A HD13 11 ATOM 14523 H HD21 . LEU A 1 20 ? -3.922 -1.648 2.724 1.00 0.00 ? 20 LEU A HD21 11 ATOM 14524 H HD22 . LEU A 1 20 ? -4.739 -2.676 1.547 1.00 0.00 ? 20 LEU A HD22 11 ATOM 14525 H HD23 . LEU A 1 20 ? -3.014 -2.881 1.852 1.00 0.00 ? 20 LEU A HD23 11 ATOM 14526 N N . GLN A 1 21 ? -1.998 2.613 2.940 1.00 0.00 ? 21 GLN A N 11 ATOM 14527 C CA . GLN A 1 21 ? -1.217 3.842 2.989 1.00 0.00 ? 21 GLN A CA 11 ATOM 14528 C C . GLN A 1 21 ? -0.065 3.699 3.978 1.00 0.00 ? 21 GLN A C 11 ATOM 14529 O O . GLN A 1 21 ? 1.088 3.992 3.654 1.00 0.00 ? 21 GLN A O 11 ATOM 14530 C CB . GLN A 1 21 ? -2.103 5.023 3.384 1.00 0.00 ? 21 GLN A CB 11 ATOM 14531 C CG . GLN A 1 21 ? -2.928 5.578 2.233 1.00 0.00 ? 21 GLN A CG 11 ATOM 14532 C CD . GLN A 1 21 ? -2.966 7.093 2.221 1.00 0.00 ? 21 GLN A CD 11 ATOM 14533 O OE1 . GLN A 1 21 ? -3.880 7.707 2.770 1.00 0.00 ? 21 GLN A OE1 11 ATOM 14534 N NE2 . GLN A 1 21 ? -1.969 7.704 1.591 1.00 0.00 ? 21 GLN A NE2 11 ATOM 14535 H H . GLN A 1 21 ? -2.939 2.632 3.223 1.00 0.00 ? 21 GLN A H 11 ATOM 14536 H HA . GLN A 1 21 ? -0.811 4.017 2.003 1.00 0.00 ? 21 GLN A HA 11 ATOM 14537 H HB2 . GLN A 1 21 ? -2.781 4.706 4.163 1.00 0.00 ? 21 GLN A HB2 11 ATOM 14538 H HB3 . GLN A 1 21 ? -1.478 5.817 3.766 1.00 0.00 ? 21 GLN A HB3 11 ATOM 14539 H HG2 . GLN A 1 21 ? -2.499 5.236 1.303 1.00 0.00 ? 21 GLN A HG2 11 ATOM 14540 H HG3 . GLN A 1 21 ? -3.939 5.207 2.320 1.00 0.00 ? 21 GLN A HG3 11 ATOM 14541 H HE21 . GLN A 1 21 ? -1.275 7.151 1.176 1.00 0.00 ? 21 GLN A HE21 11 ATOM 14542 H HE22 . GLN A 1 21 ? -1.969 8.684 1.567 1.00 0.00 ? 21 GLN A HE22 11 ATOM 14543 N N . LYS A 1 22 ? -0.382 3.239 5.185 1.00 0.00 ? 22 LYS A N 11 ATOM 14544 C CA . LYS A 1 22 ? 0.630 3.050 6.216 1.00 0.00 ? 22 LYS A CA 11 ATOM 14545 C C . LYS A 1 22 ? 1.639 1.992 5.784 1.00 0.00 ? 22 LYS A C 11 ATOM 14546 O O . LYS A 1 22 ? 2.807 2.035 6.171 1.00 0.00 ? 22 LYS A O 11 ATOM 14547 C CB . LYS A 1 22 ? -0.023 2.641 7.538 1.00 0.00 ? 22 LYS A CB 11 ATOM 14548 C CG . LYS A 1 22 ? -0.066 3.760 8.566 1.00 0.00 ? 22 LYS A CG 11 ATOM 14549 C CD . LYS A 1 22 ? 1.330 4.149 9.024 1.00 0.00 ? 22 LYS A CD 11 ATOM 14550 C CE . LYS A 1 22 ? 1.835 5.380 8.287 1.00 0.00 ? 22 LYS A CE 11 ATOM 14551 N NZ . LYS A 1 22 ? 2.487 6.349 9.210 1.00 0.00 ? 22 LYS A NZ 11 ATOM 14552 H H . LYS A 1 22 ? -1.318 3.015 5.384 1.00 0.00 ? 22 LYS A H 11 ATOM 14553 H HA . LYS A 1 22 ? 1.146 3.989 6.352 1.00 0.00 ? 22 LYS A HA 11 ATOM 14554 H HB2 . LYS A 1 22 ? -1.037 2.324 7.340 1.00 0.00 ? 22 LYS A HB2 11 ATOM 14555 H HB3 . LYS A 1 22 ? 0.529 1.815 7.959 1.00 0.00 ? 22 LYS A HB3 11 ATOM 14556 H HG2 . LYS A 1 22 ? -0.543 4.623 8.126 1.00 0.00 ? 22 LYS A HG2 11 ATOM 14557 H HG3 . LYS A 1 22 ? -0.636 3.428 9.420 1.00 0.00 ? 22 LYS A HG3 11 ATOM 14558 H HD2 . LYS A 1 22 ? 1.306 4.361 10.082 1.00 0.00 ? 22 LYS A HD2 11 ATOM 14559 H HD3 . LYS A 1 22 ? 2.003 3.325 8.834 1.00 0.00 ? 22 LYS A HD3 11 ATOM 14560 H HE2 . LYS A 1 22 ? 2.552 5.069 7.543 1.00 0.00 ? 22 LYS A HE2 11 ATOM 14561 H HE3 . LYS A 1 22 ? 0.999 5.862 7.803 1.00 0.00 ? 22 LYS A HE3 11 ATOM 14562 H HZ1 . LYS A 1 22 ? 2.400 6.022 10.193 1.00 0.00 ? 22 LYS A HZ1 11 ATOM 14563 H HZ2 . LYS A 1 22 ? 3.496 6.444 8.974 1.00 0.00 ? 22 LYS A HZ2 11 ATOM 14564 H HZ3 . LYS A 1 22 ? 2.035 7.282 9.126 1.00 0.00 ? 22 LYS A HZ3 11 ATOM 14565 N N . GLU A 1 23 ? 1.177 1.046 4.973 1.00 0.00 ? 23 GLU A N 11 ATOM 14566 C CA . GLU A 1 23 ? 2.032 -0.026 4.481 1.00 0.00 ? 23 GLU A CA 11 ATOM 14567 C C . GLU A 1 23 ? 3.067 0.515 3.500 1.00 0.00 ? 23 GLU A C 11 ATOM 14568 O O . GLU A 1 23 ? 4.208 0.051 3.469 1.00 0.00 ? 23 GLU A O 11 ATOM 14569 C CB . GLU A 1 23 ? 1.189 -1.111 3.807 1.00 0.00 ? 23 GLU A CB 11 ATOM 14570 C CG . GLU A 1 23 ? 1.233 -2.449 4.527 1.00 0.00 ? 23 GLU A CG 11 ATOM 14571 C CD . GLU A 1 23 ? 0.007 -2.687 5.387 1.00 0.00 ? 23 GLU A CD 11 ATOM 14572 O OE1 . GLU A 1 23 ? -0.033 -2.165 6.521 1.00 0.00 ? 23 GLU A OE1 11 ATOM 14573 O OE2 . GLU A 1 23 ? -0.913 -3.396 4.927 1.00 0.00 ? 23 GLU A OE2 11 ATOM 14574 H H . GLU A 1 23 ? 0.236 1.069 4.699 1.00 0.00 ? 23 GLU A H 11 ATOM 14575 H HA . GLU A 1 23 ? 2.546 -0.456 5.328 1.00 0.00 ? 23 GLU A HA 11 ATOM 14576 H HB2 . GLU A 1 23 ? 0.162 -0.781 3.768 1.00 0.00 ? 23 GLU A HB2 11 ATOM 14577 H HB3 . GLU A 1 23 ? 1.550 -1.257 2.799 1.00 0.00 ? 23 GLU A HB3 11 ATOM 14578 H HG2 . GLU A 1 23 ? 1.295 -3.237 3.792 1.00 0.00 ? 23 GLU A HG2 11 ATOM 14579 H HG3 . GLU A 1 23 ? 2.108 -2.476 5.158 1.00 0.00 ? 23 GLU A HG3 11 ATOM 14580 N N . ILE A 1 24 ? 2.666 1.500 2.701 1.00 0.00 ? 24 ILE A N 11 ATOM 14581 C CA . ILE A 1 24 ? 3.572 2.095 1.727 1.00 0.00 ? 24 ILE A CA 11 ATOM 14582 C C . ILE A 1 24 ? 4.698 2.840 2.445 1.00 0.00 ? 24 ILE A C 11 ATOM 14583 O O . ILE A 1 24 ? 5.862 2.761 2.053 1.00 0.00 ? 24 ILE A O 11 ATOM 14584 C CB . ILE A 1 24 ? 2.829 3.034 0.719 1.00 0.00 ? 24 ILE A CB 11 ATOM 14585 C CG1 . ILE A 1 24 ? 2.823 4.501 1.177 1.00 0.00 ? 24 ILE A CG1 11 ATOM 14586 C CG2 . ILE A 1 24 ? 1.401 2.560 0.492 1.00 0.00 ? 24 ILE A CG2 11 ATOM 14587 C CD1 . ILE A 1 24 ? 4.113 5.226 0.860 1.00 0.00 ? 24 ILE A CD1 11 ATOM 14588 H H . ILE A 1 24 ? 1.748 1.833 2.773 1.00 0.00 ? 24 ILE A H 11 ATOM 14589 H HA . ILE A 1 24 ? 4.012 1.284 1.162 1.00 0.00 ? 24 ILE A HA 11 ATOM 14590 H HB . ILE A 1 24 ? 3.346 2.971 -0.227 1.00 0.00 ? 24 ILE A HB 11 ATOM 14591 H HG12 . ILE A 1 24 ? 2.018 5.023 0.683 1.00 0.00 ? 24 ILE A HG12 11 ATOM 14592 H HG13 . ILE A 1 24 ? 2.672 4.540 2.246 1.00 0.00 ? 24 ILE A HG13 11 ATOM 14593 H HG21 . ILE A 1 24 ? 1.345 1.492 0.651 1.00 0.00 ? 24 ILE A HG21 11 ATOM 14594 H HG22 . ILE A 1 24 ? 0.740 3.061 1.184 1.00 0.00 ? 24 ILE A HG22 11 ATOM 14595 H HG23 . ILE A 1 24 ? 1.103 2.788 -0.520 1.00 0.00 ? 24 ILE A HG23 11 ATOM 14596 H HD11 . ILE A 1 24 ? 4.798 4.546 0.372 1.00 0.00 ? 24 ILE A HD11 11 ATOM 14597 H HD12 . ILE A 1 24 ? 3.906 6.060 0.206 1.00 0.00 ? 24 ILE A HD12 11 ATOM 14598 H HD13 . ILE A 1 24 ? 4.557 5.588 1.776 1.00 0.00 ? 24 ILE A HD13 11 ATOM 14599 N N . GLU A 1 25 ? 4.335 3.558 3.504 1.00 0.00 ? 25 GLU A N 11 ATOM 14600 C CA . GLU A 1 25 ? 5.306 4.310 4.287 1.00 0.00 ? 25 GLU A CA 11 ATOM 14601 C C . GLU A 1 25 ? 6.375 3.378 4.844 1.00 0.00 ? 25 GLU A C 11 ATOM 14602 O O . GLU A 1 25 ? 7.565 3.685 4.800 1.00 0.00 ? 25 GLU A O 11 ATOM 14603 C CB . GLU A 1 25 ? 4.611 5.052 5.430 1.00 0.00 ? 25 GLU A CB 11 ATOM 14604 C CG . GLU A 1 25 ? 5.349 6.302 5.881 1.00 0.00 ? 25 GLU A CG 11 ATOM 14605 C CD . GLU A 1 25 ? 4.449 7.275 6.617 1.00 0.00 ? 25 GLU A CD 11 ATOM 14606 O OE1 . GLU A 1 25 ? 3.356 7.583 6.098 1.00 0.00 ? 25 GLU A OE1 11 ATOM 14607 O OE2 . GLU A 1 25 ? 4.838 7.730 7.714 1.00 0.00 ? 25 GLU A OE2 11 ATOM 14608 H H . GLU A 1 25 ? 3.389 3.575 3.770 1.00 0.00 ? 25 GLU A H 11 ATOM 14609 H HA . GLU A 1 25 ? 5.776 5.029 3.632 1.00 0.00 ? 25 GLU A HA 11 ATOM 14610 H HB2 . GLU A 1 25 ? 3.621 5.341 5.107 1.00 0.00 ? 25 GLU A HB2 11 ATOM 14611 H HB3 . GLU A 1 25 ? 4.523 4.386 6.276 1.00 0.00 ? 25 GLU A HB3 11 ATOM 14612 H HG2 . GLU A 1 25 ? 6.154 6.012 6.539 1.00 0.00 ? 25 GLU A HG2 11 ATOM 14613 H HG3 . GLU A 1 25 ? 5.756 6.797 5.012 1.00 0.00 ? 25 GLU A HG3 11 ATOM 14614 N N . ARG A 1 26 ? 5.940 2.232 5.361 1.00 0.00 ? 26 ARG A N 11 ATOM 14615 C CA . ARG A 1 26 ? 6.861 1.251 5.918 1.00 0.00 ? 26 ARG A CA 11 ATOM 14616 C C . ARG A 1 26 ? 7.906 0.853 4.881 1.00 0.00 ? 26 ARG A C 11 ATOM 14617 O O . ARG A 1 26 ? 9.105 0.842 5.164 1.00 0.00 ? 26 ARG A O 11 ATOM 14618 C CB . ARG A 1 26 ? 6.098 0.012 6.393 1.00 0.00 ? 26 ARG A CB 11 ATOM 14619 C CG . ARG A 1 26 ? 6.734 -0.673 7.592 1.00 0.00 ? 26 ARG A CG 11 ATOM 14620 C CD . ARG A 1 26 ? 6.873 0.280 8.768 1.00 0.00 ? 26 ARG A CD 11 ATOM 14621 N NE . ARG A 1 26 ? 5.635 1.009 9.030 1.00 0.00 ? 26 ARG A NE 11 ATOM 14622 C CZ . ARG A 1 26 ? 4.573 0.469 9.620 1.00 0.00 ? 26 ARG A CZ 11 ATOM 14623 N NH1 . ARG A 1 26 ? 4.601 -0.799 10.007 1.00 0.00 ? 26 ARG A NH1 11 ATOM 14624 N NH2 . ARG A 1 26 ? 3.484 1.197 9.824 1.00 0.00 ? 26 ARG A NH2 11 ATOM 14625 H H . ARG A 1 26 ? 4.978 2.041 5.362 1.00 0.00 ? 26 ARG A H 11 ATOM 14626 H HA . ARG A 1 26 ? 7.360 1.703 6.762 1.00 0.00 ? 26 ARG A HA 11 ATOM 14627 H HB2 . ARG A 1 26 ? 5.094 0.305 6.664 1.00 0.00 ? 26 ARG A HB2 11 ATOM 14628 H HB3 . ARG A 1 26 ? 6.049 -0.699 5.582 1.00 0.00 ? 26 ARG A HB3 11 ATOM 14629 H HG2 . ARG A 1 26 ? 6.117 -1.507 7.888 1.00 0.00 ? 26 ARG A HG2 11 ATOM 14630 H HG3 . ARG A 1 26 ? 7.715 -1.029 7.311 1.00 0.00 ? 26 ARG A HG3 11 ATOM 14631 H HD2 . ARG A 1 26 ? 7.136 -0.290 9.647 1.00 0.00 ? 26 ARG A HD2 11 ATOM 14632 H HD3 . ARG A 1 26 ? 7.658 0.988 8.551 1.00 0.00 ? 26 ARG A HD3 11 ATOM 14633 H HE . ARG A 1 26 ? 5.593 1.948 8.752 1.00 0.00 ? 26 ARG A HE 11 ATOM 14634 H HH11 . ARG A 1 26 ? 5.420 -1.351 9.855 1.00 0.00 ? 26 ARG A HH11 11 ATOM 14635 H HH12 . ARG A 1 26 ? 3.801 -1.204 10.451 1.00 0.00 ? 26 ARG A HH12 11 ATOM 14636 H HH21 . ARG A 1 26 ? 3.460 2.153 9.535 1.00 0.00 ? 26 ARG A HH21 11 ATOM 14637 H HH22 . ARG A 1 26 ? 2.686 0.789 10.269 1.00 0.00 ? 26 ARG A HH22 11 ATOM 14638 N N . HIS A 1 27 ? 7.442 0.537 3.676 1.00 0.00 ? 27 HIS A N 11 ATOM 14639 C CA . HIS A 1 27 ? 8.338 0.149 2.594 1.00 0.00 ? 27 HIS A CA 11 ATOM 14640 C C . HIS A 1 27 ? 9.262 1.305 2.226 1.00 0.00 ? 27 HIS A C 11 ATOM 14641 O O . HIS A 1 27 ? 10.360 1.094 1.710 1.00 0.00 ? 27 HIS A O 11 ATOM 14642 C CB . HIS A 1 27 ? 7.534 -0.289 1.368 1.00 0.00 ? 27 HIS A CB 11 ATOM 14643 C CG . HIS A 1 27 ? 7.540 -1.769 1.147 1.00 0.00 ? 27 HIS A CG 11 ATOM 14644 N ND1 . HIS A 1 27 ? 8.696 -2.499 0.966 1.00 0.00 ? 27 HIS A ND1 11 ATOM 14645 C CD2 . HIS A 1 27 ? 6.521 -2.659 1.078 1.00 0.00 ? 27 HIS A CD2 11 ATOM 14646 C CE1 . HIS A 1 27 ? 8.388 -3.773 0.794 1.00 0.00 ? 27 HIS A CE1 11 ATOM 14647 N NE2 . HIS A 1 27 ? 7.076 -3.896 0.859 1.00 0.00 ? 27 HIS A NE2 11 ATOM 14648 H H . HIS A 1 27 ? 6.477 0.571 3.508 1.00 0.00 ? 27 HIS A H 11 ATOM 14649 H HA . HIS A 1 27 ? 8.936 -0.681 2.939 1.00 0.00 ? 27 HIS A HA 11 ATOM 14650 H HB2 . HIS A 1 27 ? 6.508 0.025 1.489 1.00 0.00 ? 27 HIS A HB2 11 ATOM 14651 H HB3 . HIS A 1 27 ? 7.948 0.182 0.489 1.00 0.00 ? 27 HIS A HB3 11 ATOM 14652 H HD1 . HIS A 1 27 ? 9.607 -2.138 0.962 1.00 0.00 ? 27 HIS A HD1 11 ATOM 14653 H HD2 . HIS A 1 27 ? 5.468 -2.437 1.177 1.00 0.00 ? 27 HIS A HD2 11 ATOM 14654 H HE1 . HIS A 1 27 ? 9.091 -4.577 0.631 1.00 0.00 ? 27 HIS A HE1 11 ATOM 14655 H HE2 . HIS A 1 27 ? 6.579 -4.735 0.765 1.00 0.00 ? 27 HIS A HE2 11 ATOM 14656 N N . LYS A 1 28 ? 8.811 2.526 2.498 1.00 0.00 ? 28 LYS A N 11 ATOM 14657 C CA . LYS A 1 28 ? 9.596 3.718 2.200 1.00 0.00 ? 28 LYS A CA 11 ATOM 14658 C C . LYS A 1 28 ? 10.771 3.848 3.163 1.00 0.00 ? 28 LYS A C 11 ATOM 14659 O O . LYS A 1 28 ? 11.852 4.298 2.781 1.00 0.00 ? 28 LYS A O 11 ATOM 14660 C CB . LYS A 1 28 ? 8.715 4.966 2.283 1.00 0.00 ? 28 LYS A CB 11 ATOM 14661 C CG . LYS A 1 28 ? 9.443 6.248 1.913 1.00 0.00 ? 28 LYS A CG 11 ATOM 14662 C CD . LYS A 1 28 ? 10.127 6.869 3.120 1.00 0.00 ? 28 LYS A CD 11 ATOM 14663 C CE . LYS A 1 28 ? 9.348 8.060 3.651 1.00 0.00 ? 28 LYS A CE 11 ATOM 14664 N NZ . LYS A 1 28 ? 10.150 9.314 3.610 1.00 0.00 ? 28 LYS A NZ 11 ATOM 14665 H H . LYS A 1 28 ? 7.928 2.628 2.912 1.00 0.00 ? 28 LYS A H 11 ATOM 14666 H HA . LYS A 1 28 ? 9.975 3.622 1.195 1.00 0.00 ? 28 LYS A HA 11 ATOM 14667 H HB2 . LYS A 1 28 ? 7.877 4.847 1.612 1.00 0.00 ? 28 LYS A HB2 11 ATOM 14668 H HB3 . LYS A 1 28 ? 8.346 5.066 3.292 1.00 0.00 ? 28 LYS A HB3 11 ATOM 14669 H HG2 . LYS A 1 28 ? 10.189 6.025 1.165 1.00 0.00 ? 28 LYS A HG2 11 ATOM 14670 H HG3 . LYS A 1 28 ? 8.729 6.953 1.513 1.00 0.00 ? 28 LYS A HG3 11 ATOM 14671 H HD2 . LYS A 1 28 ? 10.204 6.126 3.900 1.00 0.00 ? 28 LYS A HD2 11 ATOM 14672 H HD3 . LYS A 1 28 ? 11.116 7.196 2.832 1.00 0.00 ? 28 LYS A HD3 11 ATOM 14673 H HE2 . LYS A 1 28 ? 8.461 8.191 3.049 1.00 0.00 ? 28 LYS A HE2 11 ATOM 14674 H HE3 . LYS A 1 28 ? 9.060 7.859 4.673 1.00 0.00 ? 28 LYS A HE3 11 ATOM 14675 H HZ1 . LYS A 1 28 ? 10.695 9.360 2.725 1.00 0.00 ? 28 LYS A HZ1 11 ATOM 14676 H HZ2 . LYS A 1 28 ? 9.523 10.141 3.663 1.00 0.00 ? 28 LYS A HZ2 11 ATOM 14677 H HZ3 . LYS A 1 28 ? 10.811 9.341 4.412 1.00 0.00 ? 28 LYS A HZ3 11 ATOM 14678 N N . GLN A 1 29 ? 10.552 3.451 4.412 1.00 0.00 ? 29 GLN A N 11 ATOM 14679 C CA . GLN A 1 29 ? 11.593 3.524 5.431 1.00 0.00 ? 29 GLN A CA 11 ATOM 14680 C C . GLN A 1 29 ? 12.649 2.448 5.210 1.00 0.00 ? 29 GLN A C 11 ATOM 14681 O O . GLN A 1 29 ? 13.822 2.643 5.526 1.00 0.00 ? 29 GLN A O 11 ATOM 14682 C CB . GLN A 1 29 ? 10.982 3.376 6.826 1.00 0.00 ? 29 GLN A CB 11 ATOM 14683 C CG . GLN A 1 29 ? 11.604 4.297 7.861 1.00 0.00 ? 29 GLN A CG 11 ATOM 14684 C CD . GLN A 1 29 ? 10.738 5.503 8.165 1.00 0.00 ? 29 GLN A CD 11 ATOM 14685 O OE1 . GLN A 1 29 ? 9.519 5.464 8.001 1.00 0.00 ? 29 GLN A OE1 11 ATOM 14686 N NE2 . GLN A 1 29 ? 11.365 6.586 8.612 1.00 0.00 ? 29 GLN A NE2 11 ATOM 14687 H H . GLN A 1 29 ? 9.670 3.102 4.655 1.00 0.00 ? 29 GLN A H 11 ATOM 14688 H HA . GLN A 1 29 ? 12.063 4.494 5.356 1.00 0.00 ? 29 GLN A HA 11 ATOM 14689 H HB2 . GLN A 1 29 ? 9.926 3.595 6.768 1.00 0.00 ? 29 GLN A HB2 11 ATOM 14690 H HB3 . GLN A 1 29 ? 11.112 2.357 7.156 1.00 0.00 ? 29 GLN A HB3 11 ATOM 14691 H HG2 . GLN A 1 29 ? 11.753 3.741 8.775 1.00 0.00 ? 29 GLN A HG2 11 ATOM 14692 H HG3 . GLN A 1 29 ? 12.559 4.642 7.491 1.00 0.00 ? 29 GLN A HG3 11 ATOM 14693 H HE21 . GLN A 1 29 ? 12.338 6.546 8.718 1.00 0.00 ? 29 GLN A HE21 11 ATOM 14694 H HE22 . GLN A 1 29 ? 10.830 7.381 8.815 1.00 0.00 ? 29 GLN A HE22 11 ATOM 14695 N N . SER A 1 30 ? 12.226 1.311 4.668 1.00 0.00 ? 30 SER A N 11 ATOM 14696 C CA . SER A 1 30 ? 13.140 0.205 4.405 1.00 0.00 ? 30 SER A CA 11 ATOM 14697 C C . SER A 1 30 ? 14.036 0.515 3.209 1.00 0.00 ? 30 SER A C 11 ATOM 14698 O O . SER A 1 30 ? 15.210 0.151 3.189 1.00 0.00 ? 30 SER A O 11 ATOM 14699 C CB . SER A 1 30 ? 12.355 -1.083 4.150 1.00 0.00 ? 30 SER A CB 11 ATOM 14700 O OG . SER A 1 30 ? 13.108 -2.223 4.530 1.00 0.00 ? 30 SER A OG 11 ATOM 14701 H H . SER A 1 30 ? 11.278 1.213 4.438 1.00 0.00 ? 30 SER A H 11 ATOM 14702 H HA . SER A 1 30 ? 13.760 0.073 5.278 1.00 0.00 ? 30 SER A HA 11 ATOM 14703 H HB2 . SER A 1 30 ? 11.440 -1.065 4.722 1.00 0.00 ? 30 SER A HB2 11 ATOM 14704 H HB3 . SER A 1 30 ? 12.121 -1.157 3.098 1.00 0.00 ? 30 SER A HB3 11 ATOM 14705 H HG . SER A 1 30 ? 14.014 -2.123 4.228 1.00 0.00 ? 30 SER A HG 11 ATOM 14706 N N . ILE A 1 31 ? 13.468 1.190 2.215 1.00 0.00 ? 31 ILE A N 11 ATOM 14707 C CA . ILE A 1 31 ? 14.205 1.553 1.010 1.00 0.00 ? 31 ILE A CA 11 ATOM 14708 C C . ILE A 1 31 ? 15.231 2.646 1.300 1.00 0.00 ? 31 ILE A C 11 ATOM 14709 O O . ILE A 1 31 ? 16.318 2.660 0.720 1.00 0.00 ? 31 ILE A O 11 ATOM 14710 C CB . ILE A 1 31 ? 13.243 2.027 -0.098 1.00 0.00 ? 31 ILE A CB 11 ATOM 14711 C CG1 . ILE A 1 31 ? 14.006 2.496 -1.338 1.00 0.00 ? 31 ILE A CG1 11 ATOM 14712 C CG2 . ILE A 1 31 ? 12.349 3.142 0.419 1.00 0.00 ? 31 ILE A CG2 11 ATOM 14713 C CD1 . ILE A 1 31 ? 14.764 1.394 -2.039 1.00 0.00 ? 31 ILE A CD1 11 ATOM 14714 H H . ILE A 1 31 ? 12.526 1.449 2.292 1.00 0.00 ? 31 ILE A H 11 ATOM 14715 H HA . ILE A 1 31 ? 14.723 0.673 0.657 1.00 0.00 ? 31 ILE A HA 11 ATOM 14716 H HB . ILE A 1 31 ? 12.617 1.191 -0.367 1.00 0.00 ? 31 ILE A HB 11 ATOM 14717 H HG12 . ILE A 1 31 ? 13.302 2.910 -2.045 1.00 0.00 ? 31 ILE A HG12 11 ATOM 14718 H HG13 . ILE A 1 31 ? 14.715 3.259 -1.051 1.00 0.00 ? 31 ILE A HG13 11 ATOM 14719 H HG21 . ILE A 1 31 ? 12.958 3.919 0.856 1.00 0.00 ? 31 ILE A HG21 11 ATOM 14720 H HG22 . ILE A 1 31 ? 11.774 3.551 -0.399 1.00 0.00 ? 31 ILE A HG22 11 ATOM 14721 H HG23 . ILE A 1 31 ? 11.679 2.748 1.166 1.00 0.00 ? 31 ILE A HG23 11 ATOM 14722 H HD11 . ILE A 1 31 ? 15.143 0.696 -1.309 1.00 0.00 ? 31 ILE A HD11 11 ATOM 14723 H HD12 . ILE A 1 31 ? 14.100 0.879 -2.717 1.00 0.00 ? 31 ILE A HD12 11 ATOM 14724 H HD13 . ILE A 1 31 ? 15.587 1.817 -2.594 1.00 0.00 ? 31 ILE A HD13 11 ATOM 14725 N N . LYS A 1 32 ? 14.884 3.556 2.203 1.00 0.00 ? 32 LYS A N 11 ATOM 14726 C CA . LYS A 1 32 ? 15.781 4.647 2.569 1.00 0.00 ? 32 LYS A CA 11 ATOM 14727 C C . LYS A 1 32 ? 16.888 4.150 3.490 1.00 0.00 ? 32 LYS A C 11 ATOM 14728 O O . LYS A 1 32 ? 18.021 4.627 3.432 1.00 0.00 ? 32 LYS A O 11 ATOM 14729 C CB . LYS A 1 32 ? 15.000 5.773 3.247 1.00 0.00 ? 32 LYS A CB 11 ATOM 14730 C CG . LYS A 1 32 ? 14.336 6.729 2.270 1.00 0.00 ? 32 LYS A CG 11 ATOM 14731 C CD . LYS A 1 32 ? 15.309 7.789 1.778 1.00 0.00 ? 32 LYS A CD 11 ATOM 14732 C CE . LYS A 1 32 ? 14.722 8.594 0.631 1.00 0.00 ? 32 LYS A CE 11 ATOM 14733 N NZ . LYS A 1 32 ? 14.466 10.008 1.017 1.00 0.00 ? 32 LYS A NZ 11 ATOM 14734 H H . LYS A 1 32 ? 14.006 3.492 2.637 1.00 0.00 ? 32 LYS A H 11 ATOM 14735 H HA . LYS A 1 32 ? 16.228 5.024 1.661 1.00 0.00 ? 32 LYS A HA 11 ATOM 14736 H HB2 . LYS A 1 32 ? 14.233 5.340 3.872 1.00 0.00 ? 32 LYS A HB2 11 ATOM 14737 H HB3 . LYS A 1 32 ? 15.677 6.342 3.868 1.00 0.00 ? 32 LYS A HB3 11 ATOM 14738 H HG2 . LYS A 1 32 ? 13.975 6.166 1.422 1.00 0.00 ? 32 LYS A HG2 11 ATOM 14739 H HG3 . LYS A 1 32 ? 13.506 7.213 2.763 1.00 0.00 ? 32 LYS A HG3 11 ATOM 14740 H HD2 . LYS A 1 32 ? 15.537 8.459 2.594 1.00 0.00 ? 32 LYS A HD2 11 ATOM 14741 H HD3 . LYS A 1 32 ? 16.214 7.306 1.442 1.00 0.00 ? 32 LYS A HD3 11 ATOM 14742 H HE2 . LYS A 1 32 ? 15.416 8.576 -0.196 1.00 0.00 ? 32 LYS A HE2 11 ATOM 14743 H HE3 . LYS A 1 32 ? 13.790 8.138 0.327 1.00 0.00 ? 32 LYS A HE3 11 ATOM 14744 H HZ1 . LYS A 1 32 ? 14.279 10.072 2.039 1.00 0.00 ? 32 LYS A HZ1 11 ATOM 14745 H HZ2 . LYS A 1 32 ? 15.293 10.597 0.789 1.00 0.00 ? 32 LYS A HZ2 11 ATOM 14746 H HZ3 . LYS A 1 32 ? 13.641 10.377 0.502 1.00 0.00 ? 32 LYS A HZ3 11 ATOM 14747 N N . LYS A 1 33 ? 16.554 3.182 4.338 1.00 0.00 ? 33 LYS A N 11 ATOM 14748 C CA . LYS A 1 33 ? 17.521 2.615 5.269 1.00 0.00 ? 33 LYS A CA 11 ATOM 14749 C C . LYS A 1 33 ? 18.486 1.691 4.537 1.00 0.00 ? 33 LYS A C 11 ATOM 14750 O O . LYS A 1 33 ? 19.636 1.525 4.946 1.00 0.00 ? 33 LYS A O 11 ATOM 14751 C CB . LYS A 1 33 ? 16.804 1.848 6.381 1.00 0.00 ? 33 LYS A CB 11 ATOM 14752 C CG . LYS A 1 33 ? 16.703 2.622 7.686 1.00 0.00 ? 33 LYS A CG 11 ATOM 14753 C CD . LYS A 1 33 ? 15.732 1.961 8.652 1.00 0.00 ? 33 LYS A CD 11 ATOM 14754 C CE . LYS A 1 33 ? 15.597 2.760 9.938 1.00 0.00 ? 33 LYS A CE 11 ATOM 14755 N NZ . LYS A 1 33 ? 15.425 1.877 11.125 1.00 0.00 ? 33 LYS A NZ 11 ATOM 14756 H H . LYS A 1 33 ? 15.637 2.840 4.334 1.00 0.00 ? 33 LYS A H 11 ATOM 14757 H HA . LYS A 1 33 ? 18.080 3.429 5.705 1.00 0.00 ? 33 LYS A HA 11 ATOM 14758 H HB2 . LYS A 1 33 ? 15.804 1.610 6.051 1.00 0.00 ? 33 LYS A HB2 11 ATOM 14759 H HB3 . LYS A 1 33 ? 17.338 0.929 6.572 1.00 0.00 ? 33 LYS A HB3 11 ATOM 14760 H HG2 . LYS A 1 33 ? 17.680 2.663 8.145 1.00 0.00 ? 33 LYS A HG2 11 ATOM 14761 H HG3 . LYS A 1 33 ? 16.361 3.624 7.473 1.00 0.00 ? 33 LYS A HG3 11 ATOM 14762 H HD2 . LYS A 1 33 ? 14.763 1.889 8.181 1.00 0.00 ? 33 LYS A HD2 11 ATOM 14763 H HD3 . LYS A 1 33 ? 16.093 0.972 8.889 1.00 0.00 ? 33 LYS A HD3 11 ATOM 14764 H HE2 . LYS A 1 33 ? 16.486 3.359 10.071 1.00 0.00 ? 33 LYS A HE2 11 ATOM 14765 H HE3 . LYS A 1 33 ? 14.737 3.408 9.855 1.00 0.00 ? 33 LYS A HE3 11 ATOM 14766 H HZ1 . LYS A 1 33 ? 15.730 0.909 10.898 1.00 0.00 ? 33 LYS A HZ1 11 ATOM 14767 H HZ2 . LYS A 1 33 ? 15.997 2.231 11.918 1.00 0.00 ? 33 LYS A HZ2 11 ATOM 14768 H HZ3 . LYS A 1 33 ? 14.427 1.855 11.413 1.00 0.00 ? 33 LYS A HZ3 11 ATOM 14769 N N . LEU A 1 34 ? 18.011 1.095 3.449 1.00 0.00 ? 34 LEU A N 11 ATOM 14770 C CA . LEU A 1 34 ? 18.831 0.192 2.652 1.00 0.00 ? 34 LEU A CA 11 ATOM 14771 C C . LEU A 1 34 ? 19.877 0.973 1.865 1.00 0.00 ? 34 LEU A C 11 ATOM 14772 O O . LEU A 1 34 ? 21.038 0.572 1.787 1.00 0.00 ? 34 LEU A O 11 ATOM 14773 C CB . LEU A 1 34 ? 17.954 -0.618 1.694 1.00 0.00 ? 34 LEU A CB 11 ATOM 14774 C CG . LEU A 1 34 ? 18.233 -2.123 1.663 1.00 0.00 ? 34 LEU A CG 11 ATOM 14775 C CD1 . LEU A 1 34 ? 19.729 -2.396 1.647 1.00 0.00 ? 34 LEU A CD1 11 ATOM 14776 C CD2 . LEU A 1 34 ? 17.577 -2.810 2.852 1.00 0.00 ? 34 LEU A CD2 11 ATOM 14777 H H . LEU A 1 34 ? 17.088 1.272 3.172 1.00 0.00 ? 34 LEU A H 11 ATOM 14778 H HA . LEU A 1 34 ? 19.334 -0.484 3.327 1.00 0.00 ? 34 LEU A HA 11 ATOM 14779 H HB2 . LEU A 1 34 ? 16.921 -0.471 1.977 1.00 0.00 ? 34 LEU A HB2 11 ATOM 14780 H HB3 . LEU A 1 34 ? 18.093 -0.229 0.698 1.00 0.00 ? 34 LEU A HB3 11 ATOM 14781 H HG . LEU A 1 34 ? 17.810 -2.541 0.762 1.00 0.00 ? 34 LEU A HG 11 ATOM 14782 H HD11 . LEU A 1 34 ? 20.266 -1.461 1.585 1.00 0.00 ? 34 LEU A HD11 11 ATOM 14783 H HD12 . LEU A 1 34 ? 20.011 -2.913 2.552 1.00 0.00 ? 34 LEU A HD12 11 ATOM 14784 H HD13 . LEU A 1 34 ? 19.975 -3.008 0.792 1.00 0.00 ? 34 LEU A HD13 11 ATOM 14785 H HD21 . LEU A 1 34 ? 16.611 -2.366 3.035 1.00 0.00 ? 34 LEU A HD21 11 ATOM 14786 H HD22 . LEU A 1 34 ? 17.456 -3.862 2.637 1.00 0.00 ? 34 LEU A HD22 11 ATOM 14787 H HD23 . LEU A 1 34 ? 18.200 -2.691 3.725 1.00 0.00 ? 34 LEU A HD23 11 ATOM 14788 N N . LYS A 1 35 ? 19.457 2.093 1.282 1.00 0.00 ? 35 LYS A N 11 ATOM 14789 C CA . LYS A 1 35 ? 20.361 2.930 0.503 1.00 0.00 ? 35 LYS A CA 11 ATOM 14790 C C . LYS A 1 35 ? 21.431 3.549 1.397 1.00 0.00 ? 35 LYS A C 11 ATOM 14791 O O . LYS A 1 35 ? 22.590 3.672 0.999 1.00 0.00 ? 35 LYS A O 11 ATOM 14792 C CB . LYS A 1 35 ? 19.580 4.032 -0.216 1.00 0.00 ? 35 LYS A CB 11 ATOM 14793 C CG . LYS A 1 35 ? 19.911 4.145 -1.695 1.00 0.00 ? 35 LYS A CG 11 ATOM 14794 C CD . LYS A 1 35 ? 21.370 4.508 -1.914 1.00 0.00 ? 35 LYS A CD 11 ATOM 14795 C CE . LYS A 1 35 ? 22.165 3.327 -2.447 1.00 0.00 ? 35 LYS A CE 11 ATOM 14796 N NZ . LYS A 1 35 ? 23.629 3.506 -2.247 1.00 0.00 ? 35 LYS A NZ 11 ATOM 14797 H H . LYS A 1 35 ? 18.519 2.363 1.381 1.00 0.00 ? 35 LYS A H 11 ATOM 14798 H HA . LYS A 1 35 ? 20.843 2.303 -0.232 1.00 0.00 ? 35 LYS A HA 11 ATOM 14799 H HB2 . LYS A 1 35 ? 18.524 3.829 -0.119 1.00 0.00 ? 35 LYS A HB2 11 ATOM 14800 H HB3 . LYS A 1 35 ? 19.800 4.979 0.254 1.00 0.00 ? 35 LYS A HB3 11 ATOM 14801 H HG2 . LYS A 1 35 ? 19.711 3.198 -2.172 1.00 0.00 ? 35 LYS A HG2 11 ATOM 14802 H HG3 . LYS A 1 35 ? 19.288 4.911 -2.135 1.00 0.00 ? 35 LYS A HG3 11 ATOM 14803 H HD2 . LYS A 1 35 ? 21.427 5.318 -2.625 1.00 0.00 ? 35 LYS A HD2 11 ATOM 14804 H HD3 . LYS A 1 35 ? 21.797 4.822 -0.972 1.00 0.00 ? 35 LYS A HD3 11 ATOM 14805 H HE2 . LYS A 1 35 ? 21.846 2.433 -1.931 1.00 0.00 ? 35 LYS A HE2 11 ATOM 14806 H HE3 . LYS A 1 35 ? 21.964 3.223 -3.504 1.00 0.00 ? 35 LYS A HE3 11 ATOM 14807 H HZ1 . LYS A 1 35 ? 23.947 4.386 -2.700 1.00 0.00 ? 35 LYS A HZ1 11 ATOM 14808 H HZ2 . LYS A 1 35 ? 23.847 3.554 -1.231 1.00 0.00 ? 35 LYS A HZ2 11 ATOM 14809 H HZ3 . LYS A 1 35 ? 24.147 2.707 -2.665 1.00 0.00 ? 35 LYS A HZ3 11 ATOM 14810 N N . GLN A 1 36 ? 21.036 3.934 2.605 1.00 0.00 ? 36 GLN A N 11 ATOM 14811 C CA . GLN A 1 36 ? 21.964 4.537 3.555 1.00 0.00 ? 36 GLN A CA 11 ATOM 14812 C C . GLN A 1 36 ? 22.900 3.485 4.142 1.00 0.00 ? 36 GLN A C 11 ATOM 14813 O O . GLN A 1 36 ? 24.007 3.798 4.577 1.00 0.00 ? 36 GLN A O 11 ATOM 14814 C CB . GLN A 1 36 ? 21.195 5.236 4.678 1.00 0.00 ? 36 GLN A CB 11 ATOM 14815 C CG . GLN A 1 36 ? 22.053 6.172 5.512 1.00 0.00 ? 36 GLN A CG 11 ATOM 14816 C CD . GLN A 1 36 ? 22.657 7.295 4.693 1.00 0.00 ? 36 GLN A CD 11 ATOM 14817 O OE1 . GLN A 1 36 ? 22.139 7.656 3.636 1.00 0.00 ? 36 GLN A OE1 11 ATOM 14818 N NE2 . GLN A 1 36 ? 23.760 7.855 5.177 1.00 0.00 ? 36 GLN A NE2 11 ATOM 14819 H H . GLN A 1 36 ? 20.099 3.808 2.866 1.00 0.00 ? 36 GLN A H 11 ATOM 14820 H HA . GLN A 1 36 ? 22.553 5.269 3.023 1.00 0.00 ? 36 GLN A HA 11 ATOM 14821 H HB2 . GLN A 1 36 ? 20.391 5.812 4.244 1.00 0.00 ? 36 GLN A HB2 11 ATOM 14822 H HB3 . GLN A 1 36 ? 20.776 4.486 5.332 1.00 0.00 ? 36 GLN A HB3 11 ATOM 14823 H HG2 . GLN A 1 36 ? 21.443 6.604 6.291 1.00 0.00 ? 36 GLN A HG2 11 ATOM 14824 H HG3 . GLN A 1 36 ? 22.855 5.602 5.959 1.00 0.00 ? 36 GLN A HG3 11 ATOM 14825 H HE21 . GLN A 1 36 ? 24.117 7.517 6.024 1.00 0.00 ? 36 GLN A HE21 11 ATOM 14826 H HE22 . GLN A 1 36 ? 24.171 8.585 4.667 1.00 0.00 ? 36 GLN A HE22 11 ATOM 14827 N N . SER A 1 37 ? 22.446 2.235 4.149 1.00 0.00 ? 37 SER A N 11 ATOM 14828 C CA . SER A 1 37 ? 23.243 1.136 4.682 1.00 0.00 ? 37 SER A CA 11 ATOM 14829 C C . SER A 1 37 ? 24.339 0.734 3.701 1.00 0.00 ? 37 SER A C 11 ATOM 14830 O O . SER A 1 37 ? 25.444 0.371 4.105 1.00 0.00 ? 37 SER A O 11 ATOM 14831 C CB . SER A 1 37 ? 22.350 -0.067 4.989 1.00 0.00 ? 37 SER A CB 11 ATOM 14832 O OG . SER A 1 37 ? 23.093 -1.274 4.960 1.00 0.00 ? 37 SER A OG 11 ATOM 14833 H H . SER A 1 37 ? 21.555 2.047 3.788 1.00 0.00 ? 37 SER A H 11 ATOM 14834 H HA . SER A 1 37 ? 23.703 1.475 5.598 1.00 0.00 ? 37 SER A HA 11 ATOM 14835 H HB2 . SER A 1 37 ? 21.917 0.051 5.971 1.00 0.00 ? 37 SER A HB2 11 ATOM 14836 H HB3 . SER A 1 37 ? 21.563 -0.125 4.252 1.00 0.00 ? 37 SER A HB3 11 ATOM 14837 H HG . SER A 1 37 ? 22.490 -2.021 4.945 1.00 0.00 ? 37 SER A HG 11 ATOM 14838 N N . GLU A 1 38 ? 24.027 0.800 2.411 1.00 0.00 ? 38 GLU A N 11 ATOM 14839 C CA . GLU A 1 38 ? 24.989 0.443 1.375 1.00 0.00 ? 38 GLU A CA 11 ATOM 14840 C C . GLU A 1 38 ? 26.121 1.462 1.311 1.00 0.00 ? 38 GLU A C 11 ATOM 14841 O O . GLU A 1 38 ? 27.230 1.147 0.880 1.00 0.00 ? 38 GLU A O 11 ATOM 14842 C CB . GLU A 1 38 ? 24.296 0.345 0.015 1.00 0.00 ? 38 GLU A CB 11 ATOM 14843 C CG . GLU A 1 38 ? 24.648 -0.916 -0.759 1.00 0.00 ? 38 GLU A CG 11 ATOM 14844 C CD . GLU A 1 38 ? 24.659 -0.695 -2.259 1.00 0.00 ? 38 GLU A CD 11 ATOM 14845 O OE1 . GLU A 1 38 ? 23.569 -0.503 -2.839 1.00 0.00 ? 38 GLU A OE1 11 ATOM 14846 O OE2 . GLU A 1 38 ? 25.757 -0.714 -2.853 1.00 0.00 ? 38 GLU A OE2 11 ATOM 14847 H H . GLU A 1 38 ? 23.131 1.097 2.149 1.00 0.00 ? 38 GLU A H 11 ATOM 14848 H HA . GLU A 1 38 ? 25.404 -0.522 1.627 1.00 0.00 ? 38 GLU A HA 11 ATOM 14849 H HB2 . GLU A 1 38 ? 23.226 0.360 0.167 1.00 0.00 ? 38 GLU A HB2 11 ATOM 14850 H HB3 . GLU A 1 38 ? 24.578 1.199 -0.583 1.00 0.00 ? 38 GLU A HB3 11 ATOM 14851 H HG2 . GLU A 1 38 ? 25.629 -1.248 -0.453 1.00 0.00 ? 38 GLU A HG2 11 ATOM 14852 H HG3 . GLU A 1 38 ? 23.921 -1.681 -0.527 1.00 0.00 ? 38 GLU A HG3 11 ATOM 14853 N N . ASP A 1 39 ? 25.833 2.686 1.742 1.00 0.00 ? 39 ASP A N 11 ATOM 14854 C CA . ASP A 1 39 ? 26.828 3.751 1.735 1.00 0.00 ? 39 ASP A CA 11 ATOM 14855 C C . ASP A 1 39 ? 27.856 3.543 2.844 1.00 0.00 ? 39 ASP A C 11 ATOM 14856 O O . ASP A 1 39 ? 28.989 4.012 2.749 1.00 0.00 ? 39 ASP A O 11 ATOM 14857 C CB . ASP A 1 39 ? 26.150 5.112 1.902 1.00 0.00 ? 39 ASP A CB 11 ATOM 14858 C CG . ASP A 1 39 ? 27.111 6.267 1.699 1.00 0.00 ? 39 ASP A CG 11 ATOM 14859 O OD1 . ASP A 1 39 ? 28.183 6.266 2.339 1.00 0.00 ? 39 ASP A OD1 11 ATOM 14860 O OD2 . ASP A 1 39 ? 26.792 7.171 0.899 1.00 0.00 ? 39 ASP A OD2 11 ATOM 14861 H H . ASP A 1 39 ? 24.931 2.876 2.076 1.00 0.00 ? 39 ASP A H 11 ATOM 14862 H HA . ASP A 1 39 ? 27.335 3.726 0.783 1.00 0.00 ? 39 ASP A HA 11 ATOM 14863 H HB2 . ASP A 1 39 ? 25.352 5.201 1.180 1.00 0.00 ? 39 ASP A HB2 11 ATOM 14864 H HB3 . ASP A 1 39 ? 25.737 5.183 2.898 1.00 0.00 ? 39 ASP A HB3 11 ATOM 14865 N N . ASP A 1 40 ? 27.449 2.838 3.896 1.00 0.00 ? 40 ASP A N 11 ATOM 14866 C CA . ASP A 1 40 ? 28.334 2.566 5.022 1.00 0.00 ? 40 ASP A CA 11 ATOM 14867 C C . ASP A 1 40 ? 28.605 3.838 5.820 1.00 0.00 ? 40 ASP A C 11 ATOM 14868 O O . ASP A 1 40 ? 28.240 4.936 5.400 1.00 0.00 ? 40 ASP A O 11 ATOM 14869 C CB . ASP A 1 40 ? 29.654 1.970 4.530 1.00 0.00 ? 40 ASP A CB 11 ATOM 14870 C CG . ASP A 1 40 ? 29.443 0.824 3.558 1.00 0.00 ? 40 ASP A CG 11 ATOM 14871 O OD1 . ASP A 1 40 ? 28.915 -0.225 3.983 1.00 0.00 ? 40 ASP A OD1 11 ATOM 14872 O OD2 . ASP A 1 40 ? 29.806 0.977 2.373 1.00 0.00 ? 40 ASP A OD2 11 ATOM 14873 H H . ASP A 1 40 ? 26.533 2.491 3.913 1.00 0.00 ? 40 ASP A H 11 ATOM 14874 H HA . ASP A 1 40 ? 27.843 1.851 5.665 1.00 0.00 ? 40 ASP A HA 11 ATOM 14875 H HB2 . ASP A 1 40 ? 30.226 2.738 4.032 1.00 0.00 ? 40 ASP A HB2 11 ATOM 14876 H HB3 . ASP A 1 40 ? 30.213 1.601 5.377 1.00 0.00 ? 40 ASP A HB3 11 ATOM 14877 N N . ASP A 1 41 ? 29.247 3.682 6.973 1.00 0.00 ? 41 ASP A N 11 ATOM 14878 C CA . ASP A 1 41 ? 29.567 4.818 7.830 1.00 0.00 ? 41 ASP A CA 11 ATOM 14879 C C . ASP A 1 41 ? 31.048 5.169 7.738 1.00 0.00 ? 41 ASP A C 11 ATOM 14880 O O . ASP A 1 41 ? 31.365 6.372 7.635 1.00 0.00 ? 41 ASP A O 11 ATOM 14881 C CB . ASP A 1 41 ? 29.193 4.509 9.281 1.00 0.00 ? 41 ASP A CB 11 ATOM 14882 C CG . ASP A 1 41 ? 27.867 3.782 9.395 1.00 0.00 ? 41 ASP A CG 11 ATOM 14883 O OD1 . ASP A 1 41 ? 26.838 4.356 8.981 1.00 0.00 ? 41 ASP A OD1 11 ATOM 14884 O OD2 . ASP A 1 41 ? 27.859 2.639 9.898 1.00 0.00 ? 41 ASP A OD2 11 ATOM 14885 O OXT . ASP A 1 41 ? 31.879 4.236 7.771 1.00 0.00 ? 41 ASP A OXT 11 ATOM 14886 H H . ASP A 1 41 ? 29.512 2.782 7.254 1.00 0.00 ? 41 ASP A H 11 ATOM 14887 H HA . ASP A 1 41 ? 28.987 5.663 7.490 1.00 0.00 ? 41 ASP A HA 11 ATOM 14888 H HB2 . ASP A 1 41 ? 29.960 3.890 9.721 1.00 0.00 ? 41 ASP A HB2 11 ATOM 14889 H HB3 . ASP A 1 41 ? 29.124 5.435 9.833 1.00 0.00 ? 41 ASP A HB3 11 ATOM 14890 N N . ALA B 1 1 ? 30.584 -14.961 -2.719 1.00 0.00 ? 1 ALA B N 11 ATOM 14891 C CA . ALA B 1 1 ? 31.683 -14.175 -2.101 1.00 0.00 ? 1 ALA B CA 11 ATOM 14892 C C . ALA B 1 1 ? 31.252 -12.735 -1.849 1.00 0.00 ? 1 ALA B C 11 ATOM 14893 O O . ALA B 1 1 ? 30.932 -12.361 -0.721 1.00 0.00 ? 1 ALA B O 11 ATOM 14894 C CB . ALA B 1 1 ? 32.917 -14.208 -2.991 1.00 0.00 ? 1 ALA B CB 11 ATOM 14895 H H1 . ALA B 1 1 ? 30.248 -14.435 -3.551 1.00 0.00 ? 1 ALA B H1 11 ATOM 14896 H H2 . ALA B 1 1 ? 30.969 -15.888 -2.989 1.00 0.00 ? 1 ALA B H2 11 ATOM 14897 H H3 . ALA B 1 1 ? 29.830 -15.063 -2.009 1.00 0.00 ? 1 ALA B H3 11 ATOM 14898 H HA . ALA B 1 1 ? 31.940 -14.633 -1.157 1.00 0.00 ? 1 ALA B HA 11 ATOM 14899 H HB1 . ALA B 1 1 ? 33.473 -15.115 -2.803 1.00 0.00 ? 1 ALA B HB1 11 ATOM 14900 H HB2 . ALA B 1 1 ? 33.540 -13.352 -2.773 1.00 0.00 ? 1 ALA B HB2 11 ATOM 14901 H HB3 . ALA B 1 1 ? 32.614 -14.179 -4.027 1.00 0.00 ? 1 ALA B HB3 11 ATOM 14902 N N . LEU B 1 2 ? 31.246 -11.931 -2.906 1.00 0.00 ? 2 LEU B N 11 ATOM 14903 C CA . LEU B 1 2 ? 30.853 -10.529 -2.800 1.00 0.00 ? 2 LEU B CA 11 ATOM 14904 C C . LEU B 1 2 ? 29.448 -10.402 -2.222 1.00 0.00 ? 2 LEU B C 11 ATOM 14905 O O . LEU B 1 2 ? 28.763 -11.401 -2.003 1.00 0.00 ? 2 LEU B O 11 ATOM 14906 C CB . LEU B 1 2 ? 30.919 -9.853 -4.171 1.00 0.00 ? 2 LEU B CB 11 ATOM 14907 C CG . LEU B 1 2 ? 32.330 -9.631 -4.717 1.00 0.00 ? 2 LEU B CG 11 ATOM 14908 C CD1 . LEU B 1 2 ? 33.235 -9.054 -3.640 1.00 0.00 ? 2 LEU B CD1 11 ATOM 14909 C CD2 . LEU B 1 2 ? 32.901 -10.934 -5.256 1.00 0.00 ? 2 LEU B CD2 11 ATOM 14910 H H . LEU B 1 2 ? 31.512 -12.287 -3.779 1.00 0.00 ? 2 LEU B H 11 ATOM 14911 H HA . LEU B 1 2 ? 31.549 -10.041 -2.133 1.00 0.00 ? 2 LEU B HA 11 ATOM 14912 H HB2 . LEU B 1 2 ? 30.373 -10.465 -4.875 1.00 0.00 ? 2 LEU B HB2 11 ATOM 14913 H HB3 . LEU B 1 2 ? 30.430 -8.894 -4.098 1.00 0.00 ? 2 LEU B HB3 11 ATOM 14914 H HG . LEU B 1 2 ? 32.286 -8.922 -5.531 1.00 0.00 ? 2 LEU B HG 11 ATOM 14915 H HD11 . LEU B 1 2 ? 32.766 -8.186 -3.203 1.00 0.00 ? 2 LEU B HD11 11 ATOM 14916 H HD12 . LEU B 1 2 ? 33.402 -9.799 -2.875 1.00 0.00 ? 2 LEU B HD12 11 ATOM 14917 H HD13 . LEU B 1 2 ? 34.180 -8.770 -4.079 1.00 0.00 ? 2 LEU B HD13 11 ATOM 14918 H HD21 . LEU B 1 2 ? 32.116 -11.504 -5.730 1.00 0.00 ? 2 LEU B HD21 11 ATOM 14919 H HD22 . LEU B 1 2 ? 33.674 -10.716 -5.979 1.00 0.00 ? 2 LEU B HD22 11 ATOM 14920 H HD23 . LEU B 1 2 ? 33.321 -11.507 -4.443 1.00 0.00 ? 2 LEU B HD23 11 ATOM 14921 N N . LYS B 1 3 ? 29.024 -9.167 -1.978 1.00 0.00 ? 3 LYS B N 11 ATOM 14922 C CA . LYS B 1 3 ? 27.698 -8.910 -1.426 1.00 0.00 ? 3 LYS B CA 11 ATOM 14923 C C . LYS B 1 3 ? 26.653 -8.830 -2.535 1.00 0.00 ? 3 LYS B C 11 ATOM 14924 O O . LYS B 1 3 ? 25.973 -9.812 -2.831 1.00 0.00 ? 3 LYS B O 11 ATOM 14925 C CB . LYS B 1 3 ? 27.703 -7.611 -0.616 1.00 0.00 ? 3 LYS B CB 11 ATOM 14926 C CG . LYS B 1 3 ? 28.295 -7.764 0.775 1.00 0.00 ? 3 LYS B CG 11 ATOM 14927 C CD . LYS B 1 3 ? 29.597 -6.993 0.914 1.00 0.00 ? 3 LYS B CD 11 ATOM 14928 C CE . LYS B 1 3 ? 30.324 -7.353 2.200 1.00 0.00 ? 3 LYS B CE 11 ATOM 14929 N NZ . LYS B 1 3 ? 30.486 -8.825 2.354 1.00 0.00 ? 3 LYS B NZ 11 ATOM 14930 H H . LYS B 1 3 ? 29.615 -8.411 -2.173 1.00 0.00 ? 3 LYS B H 11 ATOM 14931 H HA . LYS B 1 3 ? 27.448 -9.730 -0.770 1.00 0.00 ? 3 LYS B HA 11 ATOM 14932 H HB2 . LYS B 1 3 ? 28.278 -6.869 -1.149 1.00 0.00 ? 3 LYS B HB2 11 ATOM 14933 H HB3 . LYS B 1 3 ? 26.686 -7.260 -0.514 1.00 0.00 ? 3 LYS B HB3 11 ATOM 14934 H HG2 . LYS B 1 3 ? 27.588 -7.390 1.501 1.00 0.00 ? 3 LYS B HG2 11 ATOM 14935 H HG3 . LYS B 1 3 ? 28.485 -8.812 0.962 1.00 0.00 ? 3 LYS B HG3 11 ATOM 14936 H HD2 . LYS B 1 3 ? 30.236 -7.229 0.075 1.00 0.00 ? 3 LYS B HD2 11 ATOM 14937 H HD3 . LYS B 1 3 ? 29.379 -5.935 0.918 1.00 0.00 ? 3 LYS B HD3 11 ATOM 14938 H HE2 . LYS B 1 3 ? 31.299 -6.891 2.189 1.00 0.00 ? 3 LYS B HE2 11 ATOM 14939 H HE3 . LYS B 1 3 ? 29.756 -6.972 3.038 1.00 0.00 ? 3 LYS B HE3 11 ATOM 14940 H HZ1 . LYS B 1 3 ? 30.778 -9.248 1.450 1.00 0.00 ? 3 LYS B HZ1 11 ATOM 14941 H HZ2 . LYS B 1 3 ? 31.211 -9.031 3.070 1.00 0.00 ? 3 LYS B HZ2 11 ATOM 14942 H HZ3 . LYS B 1 3 ? 29.588 -9.255 2.652 1.00 0.00 ? 3 LYS B HZ3 11 ATOM 14943 N N . LYS B 1 4 ? 26.529 -7.654 -3.143 1.00 0.00 ? 4 LYS B N 11 ATOM 14944 C CA . LYS B 1 4 ? 25.566 -7.448 -4.219 1.00 0.00 ? 4 LYS B CA 11 ATOM 14945 C C . LYS B 1 4 ? 24.180 -7.941 -3.815 1.00 0.00 ? 4 LYS B C 11 ATOM 14946 O O . LYS B 1 4 ? 23.361 -8.287 -4.666 1.00 0.00 ? 4 LYS B O 11 ATOM 14947 C CB . LYS B 1 4 ? 26.025 -8.167 -5.489 1.00 0.00 ? 4 LYS B CB 11 ATOM 14948 C CG . LYS B 1 4 ? 27.528 -8.110 -5.710 1.00 0.00 ? 4 LYS B CG 11 ATOM 14949 C CD . LYS B 1 4 ? 27.956 -6.768 -6.281 1.00 0.00 ? 4 LYS B CD 11 ATOM 14950 C CE . LYS B 1 4 ? 28.589 -6.924 -7.655 1.00 0.00 ? 4 LYS B CE 11 ATOM 14951 N NZ . LYS B 1 4 ? 29.650 -7.968 -7.663 1.00 0.00 ? 4 LYS B NZ 11 ATOM 14952 H H . LYS B 1 4 ? 27.099 -6.908 -2.863 1.00 0.00 ? 4 LYS B H 11 ATOM 14953 H HA . LYS B 1 4 ? 25.513 -6.387 -4.416 1.00 0.00 ? 4 LYS B HA 11 ATOM 14954 H HB2 . LYS B 1 4 ? 25.731 -9.204 -5.428 1.00 0.00 ? 4 LYS B HB2 11 ATOM 14955 H HB3 . LYS B 1 4 ? 25.540 -7.714 -6.340 1.00 0.00 ? 4 LYS B HB3 11 ATOM 14956 H HG2 . LYS B 1 4 ? 28.028 -8.264 -4.766 1.00 0.00 ? 4 LYS B HG2 11 ATOM 14957 H HG3 . LYS B 1 4 ? 27.809 -8.892 -6.401 1.00 0.00 ? 4 LYS B HG3 11 ATOM 14958 H HD2 . LYS B 1 4 ? 27.090 -6.131 -6.366 1.00 0.00 ? 4 LYS B HD2 11 ATOM 14959 H HD3 . LYS B 1 4 ? 28.675 -6.317 -5.613 1.00 0.00 ? 4 LYS B HD3 11 ATOM 14960 H HE2 . LYS B 1 4 ? 27.820 -7.199 -8.362 1.00 0.00 ? 4 LYS B HE2 11 ATOM 14961 H HE3 . LYS B 1 4 ? 29.022 -5.979 -7.947 1.00 0.00 ? 4 LYS B HE3 11 ATOM 14962 H HZ1 . LYS B 1 4 ? 29.730 -8.404 -6.723 1.00 0.00 ? 4 LYS B HZ1 11 ATOM 14963 H HZ2 . LYS B 1 4 ? 29.419 -8.708 -8.356 1.00 0.00 ? 4 LYS B HZ2 11 ATOM 14964 H HZ3 . LYS B 1 4 ? 30.566 -7.545 -7.917 1.00 0.00 ? 4 LYS B HZ3 11 ATOM 14965 N N . HIS B 1 5 ? 23.923 -7.965 -2.511 1.00 0.00 ? 5 HIS B N 11 ATOM 14966 C CA . HIS B 1 5 ? 22.636 -8.410 -1.995 1.00 0.00 ? 5 HIS B CA 11 ATOM 14967 C C . HIS B 1 5 ? 21.797 -7.218 -1.548 1.00 0.00 ? 5 HIS B C 11 ATOM 14968 O O . HIS B 1 5 ? 20.568 -7.251 -1.612 1.00 0.00 ? 5 HIS B O 11 ATOM 14969 C CB . HIS B 1 5 ? 22.835 -9.377 -0.825 1.00 0.00 ? 5 HIS B CB 11 ATOM 14970 C CG . HIS B 1 5 ? 23.881 -8.931 0.149 1.00 0.00 ? 5 HIS B CG 11 ATOM 14971 N ND1 . HIS B 1 5 ? 24.989 -9.689 0.465 1.00 0.00 ? 5 HIS B ND1 11 ATOM 14972 C CD2 . HIS B 1 5 ? 23.982 -7.795 0.882 1.00 0.00 ? 5 HIS B CD2 11 ATOM 14973 C CE1 . HIS B 1 5 ? 25.726 -9.039 1.349 1.00 0.00 ? 5 HIS B CE1 11 ATOM 14974 N NE2 . HIS B 1 5 ? 25.138 -7.889 1.617 1.00 0.00 ? 5 HIS B NE2 11 ATOM 14975 H H . HIS B 1 5 ? 24.616 -7.673 -1.882 1.00 0.00 ? 5 HIS B H 11 ATOM 14976 H HA . HIS B 1 5 ? 22.118 -8.923 -2.791 1.00 0.00 ? 5 HIS B HA 11 ATOM 14977 H HB2 . HIS B 1 5 ? 21.905 -9.480 -0.289 1.00 0.00 ? 5 HIS B HB2 11 ATOM 14978 H HB3 . HIS B 1 5 ? 23.131 -10.342 -1.212 1.00 0.00 ? 5 HIS B HB3 11 ATOM 14979 H HD1 . HIS B 1 5 ? 25.203 -10.570 0.096 1.00 0.00 ? 5 HIS B HD1 11 ATOM 14980 H HD2 . HIS B 1 5 ? 23.284 -6.971 0.887 1.00 0.00 ? 5 HIS B HD2 11 ATOM 14981 H HE1 . HIS B 1 5 ? 26.653 -9.390 1.778 1.00 0.00 ? 5 HIS B HE1 11 ATOM 14982 H HE2 . HIS B 1 5 ? 25.473 -7.213 2.242 1.00 0.00 ? 5 HIS B HE2 11 ATOM 14983 N N . HIS B 1 6 ? 22.473 -6.165 -1.099 1.00 0.00 ? 6 HIS B N 11 ATOM 14984 C CA . HIS B 1 6 ? 21.793 -4.959 -0.644 1.00 0.00 ? 6 HIS B CA 11 ATOM 14985 C C . HIS B 1 6 ? 21.246 -4.169 -1.828 1.00 0.00 ? 6 HIS B C 11 ATOM 14986 O O . HIS B 1 6 ? 20.159 -3.598 -1.754 1.00 0.00 ? 6 HIS B O 11 ATOM 14987 C CB . HIS B 1 6 ? 22.747 -4.087 0.171 1.00 0.00 ? 6 HIS B CB 11 ATOM 14988 C CG . HIS B 1 6 ? 22.795 -4.447 1.623 1.00 0.00 ? 6 HIS B CG 11 ATOM 14989 N ND1 . HIS B 1 6 ? 22.081 -5.497 2.163 1.00 0.00 ? 6 HIS B ND1 11 ATOM 14990 C CD2 . HIS B 1 6 ? 23.479 -3.893 2.653 1.00 0.00 ? 6 HIS B CD2 11 ATOM 14991 C CE1 . HIS B 1 6 ? 22.321 -5.571 3.460 1.00 0.00 ? 6 HIS B CE1 11 ATOM 14992 N NE2 . HIS B 1 6 ? 23.167 -4.610 3.781 1.00 0.00 ? 6 HIS B NE2 11 ATOM 14993 H H . HIS B 1 6 ? 23.452 -6.200 -1.075 1.00 0.00 ? 6 HIS B H 11 ATOM 14994 H HA . HIS B 1 6 ? 20.968 -5.261 -0.016 1.00 0.00 ? 6 HIS B HA 11 ATOM 14995 H HB2 . HIS B 1 6 ? 23.746 -4.186 -0.227 1.00 0.00 ? 6 HIS B HB2 11 ATOM 14996 H HB3 . HIS B 1 6 ? 22.435 -3.055 0.094 1.00 0.00 ? 6 HIS B HB3 11 ATOM 14997 H HD1 . HIS B 1 6 ? 21.484 -6.097 1.669 1.00 0.00 ? 6 HIS B HD1 11 ATOM 14998 H HD2 . HIS B 1 6 ? 24.146 -3.044 2.597 1.00 0.00 ? 6 HIS B HD2 11 ATOM 14999 H HE1 . HIS B 1 6 ? 21.900 -6.295 4.141 1.00 0.00 ? 6 HIS B HE1 11 ATOM 15000 H HE2 . HIS B 1 6 ? 23.514 -4.439 4.681 1.00 0.00 ? 6 HIS B HE2 11 ATOM 15001 N N . GLU B 1 7 ? 22.004 -4.145 -2.920 1.00 0.00 ? 7 GLU B N 11 ATOM 15002 C CA . GLU B 1 7 ? 21.589 -3.428 -4.119 1.00 0.00 ? 7 GLU B CA 11 ATOM 15003 C C . GLU B 1 7 ? 20.303 -4.023 -4.680 1.00 0.00 ? 7 GLU B C 11 ATOM 15004 O O . GLU B 1 7 ? 19.464 -3.311 -5.232 1.00 0.00 ? 7 GLU B O 11 ATOM 15005 C CB . GLU B 1 7 ? 22.692 -3.473 -5.177 1.00 0.00 ? 7 GLU B CB 11 ATOM 15006 C CG . GLU B 1 7 ? 22.275 -2.888 -6.516 1.00 0.00 ? 7 GLU B CG 11 ATOM 15007 C CD . GLU B 1 7 ? 21.839 -3.950 -7.506 1.00 0.00 ? 7 GLU B CD 11 ATOM 15008 O OE1 . GLU B 1 7 ? 22.720 -4.585 -8.122 1.00 0.00 ? 7 GLU B OE1 11 ATOM 15009 O OE2 . GLU B 1 7 ? 20.616 -4.147 -7.666 1.00 0.00 ? 7 GLU B OE2 11 ATOM 15010 H H . GLU B 1 7 ? 22.860 -4.624 -2.920 1.00 0.00 ? 7 GLU B H 11 ATOM 15011 H HA . GLU B 1 7 ? 21.404 -2.401 -3.844 1.00 0.00 ? 7 GLU B HA 11 ATOM 15012 H HB2 . GLU B 1 7 ? 23.545 -2.916 -4.815 1.00 0.00 ? 7 GLU B HB2 11 ATOM 15013 H HB3 . GLU B 1 7 ? 22.985 -4.501 -5.334 1.00 0.00 ? 7 GLU B HB3 11 ATOM 15014 H HG2 . GLU B 1 7 ? 21.453 -2.207 -6.357 1.00 0.00 ? 7 GLU B HG2 11 ATOM 15015 H HG3 . GLU B 1 7 ? 23.112 -2.348 -6.935 1.00 0.00 ? 7 GLU B HG3 11 ATOM 15016 N N . ASN B 1 8 ? 20.150 -5.334 -4.524 1.00 0.00 ? 8 ASN B N 11 ATOM 15017 C CA . ASN B 1 8 ? 18.961 -6.022 -5.006 1.00 0.00 ? 8 ASN B CA 11 ATOM 15018 C C . ASN B 1 8 ? 17.755 -5.636 -4.161 1.00 0.00 ? 8 ASN B C 11 ATOM 15019 O O . ASN B 1 8 ? 16.757 -5.132 -4.677 1.00 0.00 ? 8 ASN B O 11 ATOM 15020 C CB . ASN B 1 8 ? 19.166 -7.539 -4.968 1.00 0.00 ? 8 ASN B CB 11 ATOM 15021 C CG . ASN B 1 8 ? 20.069 -8.027 -6.083 1.00 0.00 ? 8 ASN B CG 11 ATOM 15022 O OD1 . ASN B 1 8 ? 20.604 -7.233 -6.858 1.00 0.00 ? 8 ASN B OD1 11 ATOM 15023 N ND2 . ASN B 1 8 ? 20.243 -9.341 -6.171 1.00 0.00 ? 8 ASN B ND2 11 ATOM 15024 H H . ASN B 1 8 ? 20.849 -5.846 -4.068 1.00 0.00 ? 8 ASN B H 11 ATOM 15025 H HA . ASN B 1 8 ? 18.785 -5.713 -6.025 1.00 0.00 ? 8 ASN B HA 11 ATOM 15026 H HB2 . ASN B 1 8 ? 19.612 -7.812 -4.024 1.00 0.00 ? 8 ASN B HB2 11 ATOM 15027 H HB3 . ASN B 1 8 ? 18.208 -8.028 -5.065 1.00 0.00 ? 8 ASN B HB3 11 ATOM 15028 H HD21 . ASN B 1 8 ? 19.786 -9.913 -5.520 1.00 0.00 ? 8 ASN B HD21 11 ATOM 15029 H HD22 . ASN B 1 8 ? 20.822 -9.684 -6.884 1.00 0.00 ? 8 ASN B HD22 11 ATOM 15030 N N . GLU B 1 9 ? 17.862 -5.857 -2.855 1.00 0.00 ? 9 GLU B N 11 ATOM 15031 C CA . GLU B 1 9 ? 16.786 -5.509 -1.939 1.00 0.00 ? 9 GLU B CA 11 ATOM 15032 C C . GLU B 1 9 ? 16.469 -4.018 -2.036 1.00 0.00 ? 9 GLU B C 11 ATOM 15033 O O . GLU B 1 9 ? 15.387 -3.579 -1.649 1.00 0.00 ? 9 GLU B O 11 ATOM 15034 C CB . GLU B 1 9 ? 17.170 -5.872 -0.503 1.00 0.00 ? 9 GLU B CB 11 ATOM 15035 C CG . GLU B 1 9 ? 16.270 -6.927 0.119 1.00 0.00 ? 9 GLU B CG 11 ATOM 15036 C CD . GLU B 1 9 ? 16.427 -8.286 -0.536 1.00 0.00 ? 9 GLU B CD 11 ATOM 15037 O OE1 . GLU B 1 9 ? 15.712 -8.555 -1.524 1.00 0.00 ? 9 GLU B OE1 11 ATOM 15038 O OE2 . GLU B 1 9 ? 17.263 -9.082 -0.060 1.00 0.00 ? 9 GLU B OE2 11 ATOM 15039 H H . GLU B 1 9 ? 18.688 -6.247 -2.499 1.00 0.00 ? 9 GLU B H 11 ATOM 15040 H HA . GLU B 1 9 ? 15.911 -6.072 -2.225 1.00 0.00 ? 9 GLU B HA 11 ATOM 15041 H HB2 . GLU B 1 9 ? 18.183 -6.245 -0.498 1.00 0.00 ? 9 GLU B HB2 11 ATOM 15042 H HB3 . GLU B 1 9 ? 17.120 -4.982 0.106 1.00 0.00 ? 9 GLU B HB3 11 ATOM 15043 H HG2 . GLU B 1 9 ? 16.515 -7.019 1.165 1.00 0.00 ? 9 GLU B HG2 11 ATOM 15044 H HG3 . GLU B 1 9 ? 15.243 -6.610 0.017 1.00 0.00 ? 9 GLU B HG3 11 ATOM 15045 N N . ILE B 1 10 ? 17.423 -3.245 -2.556 1.00 0.00 ? 10 ILE B N 11 ATOM 15046 C CA . ILE B 1 10 ? 17.251 -1.808 -2.707 1.00 0.00 ? 10 ILE B CA 11 ATOM 15047 C C . ILE B 1 10 ? 16.242 -1.499 -3.819 1.00 0.00 ? 10 ILE B C 11 ATOM 15048 O O . ILE B 1 10 ? 15.287 -0.749 -3.616 1.00 0.00 ? 10 ILE B O 11 ATOM 15049 C CB . ILE B 1 10 ? 18.634 -1.119 -2.963 1.00 0.00 ? 10 ILE B CB 11 ATOM 15050 C CG1 . ILE B 1 10 ? 18.892 -0.046 -1.906 1.00 0.00 ? 10 ILE B CG1 11 ATOM 15051 C CG2 . ILE B 1 10 ? 18.773 -0.522 -4.366 1.00 0.00 ? 10 ILE B CG2 11 ATOM 15052 C CD1 . ILE B 1 10 ? 20.137 -0.303 -1.088 1.00 0.00 ? 10 ILE B CD1 11 ATOM 15053 H H . ILE B 1 10 ? 18.265 -3.651 -2.845 1.00 0.00 ? 10 ILE B H 11 ATOM 15054 H HA . ILE B 1 10 ? 16.854 -1.430 -1.775 1.00 0.00 ? 10 ILE B HA 11 ATOM 15055 H HB . ILE B 1 10 ? 19.394 -1.878 -2.863 1.00 0.00 ? 10 ILE B HB 11 ATOM 15056 H HG12 . ILE B 1 10 ? 19.008 0.910 -2.394 1.00 0.00 ? 10 ILE B HG12 11 ATOM 15057 H HG13 . ILE B 1 10 ? 18.052 -0.003 -1.230 1.00 0.00 ? 10 ILE B HG13 11 ATOM 15058 H HG21 . ILE B 1 10 ? 18.626 -1.296 -5.103 1.00 0.00 ? 10 ILE B HG21 11 ATOM 15059 H HG22 . ILE B 1 10 ? 18.032 0.252 -4.502 1.00 0.00 ? 10 ILE B HG22 11 ATOM 15060 H HG23 . ILE B 1 10 ? 19.761 -0.099 -4.480 1.00 0.00 ? 10 ILE B HG23 11 ATOM 15061 H HD11 . ILE B 1 10 ? 20.667 -1.153 -1.497 1.00 0.00 ? 10 ILE B HD11 11 ATOM 15062 H HD12 . ILE B 1 10 ? 20.776 0.567 -1.117 1.00 0.00 ? 10 ILE B HD12 11 ATOM 15063 H HD13 . ILE B 1 10 ? 19.860 -0.512 -0.066 1.00 0.00 ? 10 ILE B HD13 11 ATOM 15064 N N . SER B 1 11 ? 16.469 -2.083 -4.992 1.00 0.00 ? 11 SER B N 11 ATOM 15065 C CA . SER B 1 11 ? 15.589 -1.870 -6.133 1.00 0.00 ? 11 SER B CA 11 ATOM 15066 C C . SER B 1 11 ? 14.199 -2.432 -5.863 1.00 0.00 ? 11 SER B C 11 ATOM 15067 O O . SER B 1 11 ? 13.214 -1.991 -6.458 1.00 0.00 ? 11 SER B O 11 ATOM 15068 C CB . SER B 1 11 ? 16.181 -2.520 -7.386 1.00 0.00 ? 11 SER B CB 11 ATOM 15069 O OG . SER B 1 11 ? 15.912 -3.911 -7.415 1.00 0.00 ? 11 SER B OG 11 ATOM 15070 H H . SER B 1 11 ? 17.250 -2.670 -5.091 1.00 0.00 ? 11 SER B H 11 ATOM 15071 H HA . SER B 1 11 ? 15.509 -0.806 -6.296 1.00 0.00 ? 11 SER B HA 11 ATOM 15072 H HB2 . SER B 1 11 ? 15.746 -2.064 -8.264 1.00 0.00 ? 11 SER B HB2 11 ATOM 15073 H HB3 . SER B 1 11 ? 17.251 -2.372 -7.396 1.00 0.00 ? 11 SER B HB3 11 ATOM 15074 H HG . SER B 1 11 ? 15.364 -4.116 -8.176 1.00 0.00 ? 11 SER B HG 11 ATOM 15075 N N . HIS B 1 12 ? 14.122 -3.409 -4.965 1.00 0.00 ? 12 HIS B N 11 ATOM 15076 C CA . HIS B 1 12 ? 12.850 -4.027 -4.626 1.00 0.00 ? 12 HIS B CA 11 ATOM 15077 C C . HIS B 1 12 ? 12.039 -3.114 -3.701 1.00 0.00 ? 12 HIS B C 11 ATOM 15078 O O . HIS B 1 12 ? 10.833 -2.949 -3.887 1.00 0.00 ? 12 HIS B O 11 ATOM 15079 C CB . HIS B 1 12 ? 13.097 -5.430 -4.023 1.00 0.00 ? 12 HIS B CB 11 ATOM 15080 C CG . HIS B 1 12 ? 12.411 -5.720 -2.718 1.00 0.00 ? 12 HIS B CG 11 ATOM 15081 N ND1 . HIS B 1 12 ? 11.048 -5.901 -2.604 1.00 0.00 ? 12 HIS B ND1 11 ATOM 15082 C CD2 . HIS B 1 12 ? 12.914 -5.863 -1.471 1.00 0.00 ? 12 HIS B CD2 11 ATOM 15083 C CE1 . HIS B 1 12 ? 10.742 -6.142 -1.342 1.00 0.00 ? 12 HIS B CE1 11 ATOM 15084 N NE2 . HIS B 1 12 ? 11.857 -6.124 -0.634 1.00 0.00 ? 12 HIS B NE2 11 ATOM 15085 H H . HIS B 1 12 ? 14.939 -3.722 -4.523 1.00 0.00 ? 12 HIS B H 11 ATOM 15086 H HA . HIS B 1 12 ? 12.296 -4.141 -5.548 1.00 0.00 ? 12 HIS B HA 11 ATOM 15087 H HB2 . HIS B 1 12 ? 12.765 -6.173 -4.731 1.00 0.00 ? 12 HIS B HB2 11 ATOM 15088 H HB3 . HIS B 1 12 ? 14.160 -5.553 -3.867 1.00 0.00 ? 12 HIS B HB3 11 ATOM 15089 H HD1 . HIS B 1 12 ? 10.401 -5.858 -3.339 1.00 0.00 ? 12 HIS B HD1 11 ATOM 15090 H HD2 . HIS B 1 12 ? 13.953 -5.779 -1.188 1.00 0.00 ? 12 HIS B HD2 11 ATOM 15091 H HE1 . HIS B 1 12 ? 9.751 -6.323 -0.954 1.00 0.00 ? 12 HIS B HE1 11 ATOM 15092 H HE2 . HIS B 1 12 ? 11.918 -6.275 0.332 1.00 0.00 ? 12 HIS B HE2 11 ATOM 15093 N N . HIS B 1 13 ? 12.703 -2.510 -2.717 1.00 0.00 ? 13 HIS B N 11 ATOM 15094 C CA . HIS B 1 13 ? 12.018 -1.608 -1.799 1.00 0.00 ? 13 HIS B CA 11 ATOM 15095 C C . HIS B 1 13 ? 11.554 -0.361 -2.538 1.00 0.00 ? 13 HIS B C 11 ATOM 15096 O O . HIS B 1 13 ? 10.599 0.292 -2.126 1.00 0.00 ? 13 HIS B O 11 ATOM 15097 C CB . HIS B 1 13 ? 12.921 -1.193 -0.641 1.00 0.00 ? 13 HIS B CB 11 ATOM 15098 C CG . HIS B 1 13 ? 13.627 -2.319 0.034 1.00 0.00 ? 13 HIS B CG 11 ATOM 15099 N ND1 . HIS B 1 13 ? 13.111 -3.593 0.138 1.00 0.00 ? 13 HIS B ND1 11 ATOM 15100 C CD2 . HIS B 1 13 ? 14.825 -2.346 0.656 1.00 0.00 ? 13 HIS B CD2 11 ATOM 15101 C CE1 . HIS B 1 13 ? 13.964 -4.357 0.797 1.00 0.00 ? 13 HIS B CE1 11 ATOM 15102 N NE2 . HIS B 1 13 ? 15.013 -3.623 1.122 1.00 0.00 ? 13 HIS B NE2 11 ATOM 15103 H H . HIS B 1 13 ? 13.666 -2.662 -2.616 1.00 0.00 ? 13 HIS B H 11 ATOM 15104 H HA . HIS B 1 13 ? 11.153 -2.125 -1.407 1.00 0.00 ? 13 HIS B HA 11 ATOM 15105 H HB2 . HIS B 1 13 ? 13.671 -0.514 -1.012 1.00 0.00 ? 13 HIS B HB2 11 ATOM 15106 H HB3 . HIS B 1 13 ? 12.324 -0.684 0.102 1.00 0.00 ? 13 HIS B HB3 11 ATOM 15107 H HD1 . HIS B 1 13 ? 12.247 -3.891 -0.215 1.00 0.00 ? 13 HIS B HD1 11 ATOM 15108 H HD2 . HIS B 1 13 ? 15.501 -1.510 0.768 1.00 0.00 ? 13 HIS B HD2 11 ATOM 15109 H HE1 . HIS B 1 13 ? 13.828 -5.403 1.030 1.00 0.00 ? 13 HIS B HE1 11 ATOM 15110 H HE2 . HIS B 1 13 ? 15.797 -3.941 1.616 1.00 0.00 ? 13 HIS B HE2 11 ATOM 15111 N N . ALA B 1 14 ? 12.241 -0.034 -3.630 1.00 0.00 ? 14 ALA B N 11 ATOM 15112 C CA . ALA B 1 14 ? 11.896 1.135 -4.424 1.00 0.00 ? 14 ALA B CA 11 ATOM 15113 C C . ALA B 1 14 ? 10.581 0.903 -5.148 1.00 0.00 ? 14 ALA B C 11 ATOM 15114 O O . ALA B 1 14 ? 9.633 1.674 -4.999 1.00 0.00 ? 14 ALA B O 11 ATOM 15115 C CB . ALA B 1 14 ? 13.005 1.454 -5.415 1.00 0.00 ? 14 ALA B CB 11 ATOM 15116 H H . ALA B 1 14 ? 12.997 -0.593 -3.906 1.00 0.00 ? 14 ALA B H 11 ATOM 15117 H HA . ALA B 1 14 ? 11.784 1.975 -3.753 1.00 0.00 ? 14 ALA B HA 11 ATOM 15118 H HB1 . ALA B 1 14 ? 13.190 0.592 -6.038 1.00 0.00 ? 14 ALA B HB1 11 ATOM 15119 H HB2 . ALA B 1 14 ? 13.906 1.709 -4.877 1.00 0.00 ? 14 ALA B HB2 11 ATOM 15120 H HB3 . ALA B 1 14 ? 12.706 2.288 -6.033 1.00 0.00 ? 14 ALA B HB3 11 ATOM 15121 N N . LYS B 1 15 ? 10.521 -0.180 -5.913 1.00 0.00 ? 15 LYS B N 11 ATOM 15122 C CA . LYS B 1 15 ? 9.309 -0.527 -6.633 1.00 0.00 ? 15 LYS B CA 11 ATOM 15123 C C . LYS B 1 15 ? 8.213 -0.947 -5.654 1.00 0.00 ? 15 LYS B C 11 ATOM 15124 O O . LYS B 1 15 ? 7.045 -1.058 -6.028 1.00 0.00 ? 15 LYS B O 11 ATOM 15125 C CB . LYS B 1 15 ? 9.582 -1.655 -7.630 1.00 0.00 ? 15 LYS B CB 11 ATOM 15126 C CG . LYS B 1 15 ? 10.015 -1.163 -9.001 1.00 0.00 ? 15 LYS B CG 11 ATOM 15127 C CD . LYS B 1 15 ? 8.851 -0.561 -9.771 1.00 0.00 ? 15 LYS B CD 11 ATOM 15128 C CE . LYS B 1 15 ? 9.046 0.928 -10.003 1.00 0.00 ? 15 LYS B CE 11 ATOM 15129 N NZ . LYS B 1 15 ? 9.507 1.219 -11.388 1.00 0.00 ? 15 LYS B NZ 11 ATOM 15130 H H . LYS B 1 15 ? 11.305 -0.770 -5.976 1.00 0.00 ? 15 LYS B H 11 ATOM 15131 H HA . LYS B 1 15 ? 8.978 0.349 -7.171 1.00 0.00 ? 15 LYS B HA 11 ATOM 15132 H HB2 . LYS B 1 15 ? 10.364 -2.286 -7.235 1.00 0.00 ? 15 LYS B HB2 11 ATOM 15133 H HB3 . LYS B 1 15 ? 8.683 -2.241 -7.748 1.00 0.00 ? 15 LYS B HB3 11 ATOM 15134 H HG2 . LYS B 1 15 ? 10.780 -0.410 -8.878 1.00 0.00 ? 15 LYS B HG2 11 ATOM 15135 H HG3 . LYS B 1 15 ? 10.414 -1.996 -9.562 1.00 0.00 ? 15 LYS B HG3 11 ATOM 15136 H HD2 . LYS B 1 15 ? 8.768 -1.057 -10.726 1.00 0.00 ? 15 LYS B HD2 11 ATOM 15137 H HD3 . LYS B 1 15 ? 7.942 -0.712 -9.205 1.00 0.00 ? 15 LYS B HD3 11 ATOM 15138 H HE2 . LYS B 1 15 ? 8.106 1.432 -9.833 1.00 0.00 ? 15 LYS B HE2 11 ATOM 15139 H HE3 . LYS B 1 15 ? 9.782 1.295 -9.303 1.00 0.00 ? 15 LYS B HE3 11 ATOM 15140 H HZ1 . LYS B 1 15 ? 9.390 0.377 -11.988 1.00 0.00 ? 15 LYS B HZ1 11 ATOM 15141 H HZ2 . LYS B 1 15 ? 8.953 1.999 -11.794 1.00 0.00 ? 15 LYS B HZ2 11 ATOM 15142 H HZ3 . LYS B 1 15 ? 10.511 1.489 -11.381 1.00 0.00 ? 15 LYS B HZ3 11 ATOM 15143 N N . GLU B 1 16 ? 8.597 -1.181 -4.396 1.00 0.00 ? 16 GLU B N 11 ATOM 15144 C CA . GLU B 1 16 ? 7.646 -1.588 -3.372 1.00 0.00 ? 16 GLU B CA 11 ATOM 15145 C C . GLU B 1 16 ? 6.935 -0.382 -2.772 1.00 0.00 ? 16 GLU B C 11 ATOM 15146 O O . GLU B 1 16 ? 5.741 -0.444 -2.492 1.00 0.00 ? 16 GLU B O 11 ATOM 15147 C CB . GLU B 1 16 ? 8.357 -2.378 -2.271 1.00 0.00 ? 16 GLU B CB 11 ATOM 15148 C CG . GLU B 1 16 ? 8.066 -3.869 -2.307 1.00 0.00 ? 16 GLU B CG 11 ATOM 15149 C CD . GLU B 1 16 ? 8.161 -4.448 -3.705 1.00 0.00 ? 16 GLU B CD 11 ATOM 15150 O OE1 . GLU B 1 16 ? 8.653 -3.739 -4.609 1.00 0.00 ? 16 GLU B OE1 11 ATOM 15151 O OE2 . GLU B 1 16 ? 7.747 -5.610 -3.897 1.00 0.00 ? 16 GLU B OE2 11 ATOM 15152 H H . GLU B 1 16 ? 9.537 -1.081 -4.151 1.00 0.00 ? 16 GLU B H 11 ATOM 15153 H HA . GLU B 1 16 ? 6.912 -2.223 -3.841 1.00 0.00 ? 16 GLU B HA 11 ATOM 15154 H HB2 . GLU B 1 16 ? 9.423 -2.238 -2.372 1.00 0.00 ? 16 GLU B HB2 11 ATOM 15155 H HB3 . GLU B 1 16 ? 8.043 -1.995 -1.310 1.00 0.00 ? 16 GLU B HB3 11 ATOM 15156 H HG2 . GLU B 1 16 ? 8.778 -4.378 -1.675 1.00 0.00 ? 16 GLU B HG2 11 ATOM 15157 H HG3 . GLU B 1 16 ? 7.068 -4.038 -1.930 1.00 0.00 ? 16 GLU B HG3 11 ATOM 15158 N N . ILE B 1 17 ? 7.662 0.718 -2.578 1.00 0.00 ? 17 ILE B N 11 ATOM 15159 C CA . ILE B 1 17 ? 7.062 1.924 -2.017 1.00 0.00 ? 17 ILE B CA 11 ATOM 15160 C C . ILE B 1 17 ? 6.190 2.618 -3.061 1.00 0.00 ? 17 ILE B C 11 ATOM 15161 O O . ILE B 1 17 ? 5.155 3.199 -2.735 1.00 0.00 ? 17 ILE B O 11 ATOM 15162 C CB . ILE B 1 17 ? 8.138 2.902 -1.490 1.00 0.00 ? 17 ILE B CB 11 ATOM 15163 C CG1 . ILE B 1 17 ? 7.501 4.224 -1.044 1.00 0.00 ? 17 ILE B CG1 11 ATOM 15164 C CG2 . ILE B 1 17 ? 9.202 3.147 -2.549 1.00 0.00 ? 17 ILE B CG2 11 ATOM 15165 C CD1 . ILE B 1 17 ? 8.509 5.298 -0.696 1.00 0.00 ? 17 ILE B CD1 11 ATOM 15166 H H . ILE B 1 17 ? 8.616 0.721 -2.823 1.00 0.00 ? 17 ILE B H 11 ATOM 15167 H HA . ILE B 1 17 ? 6.435 1.629 -1.185 1.00 0.00 ? 17 ILE B HA 11 ATOM 15168 H HB . ILE B 1 17 ? 8.617 2.441 -0.638 1.00 0.00 ? 17 ILE B HB 11 ATOM 15169 H HG12 . ILE B 1 17 ? 6.879 4.604 -1.840 1.00 0.00 ? 17 ILE B HG12 11 ATOM 15170 H HG13 . ILE B 1 17 ? 6.892 4.046 -0.171 1.00 0.00 ? 17 ILE B HG13 11 ATOM 15171 H HG21 . ILE B 1 17 ? 8.727 3.387 -3.489 1.00 0.00 ? 17 ILE B HG21 11 ATOM 15172 H HG22 . ILE B 1 17 ? 9.833 3.968 -2.243 1.00 0.00 ? 17 ILE B HG22 11 ATOM 15173 H HG23 . ILE B 1 17 ? 9.803 2.256 -2.667 1.00 0.00 ? 17 ILE B HG23 11 ATOM 15174 H HD11 . ILE B 1 17 ? 9.341 4.855 -0.170 1.00 0.00 ? 17 ILE B HD11 11 ATOM 15175 H HD12 . ILE B 1 17 ? 8.865 5.764 -1.603 1.00 0.00 ? 17 ILE B HD12 11 ATOM 15176 H HD13 . ILE B 1 17 ? 8.041 6.042 -0.069 1.00 0.00 ? 17 ILE B HD13 11 ATOM 15177 N N . GLU B 1 18 ? 6.610 2.538 -4.320 1.00 0.00 ? 18 GLU B N 11 ATOM 15178 C CA . GLU B 1 18 ? 5.861 3.149 -5.410 1.00 0.00 ? 18 GLU B CA 11 ATOM 15179 C C . GLU B 1 18 ? 4.638 2.308 -5.760 1.00 0.00 ? 18 GLU B C 11 ATOM 15180 O O . GLU B 1 18 ? 3.554 2.840 -5.999 1.00 0.00 ? 18 GLU B O 11 ATOM 15181 C CB . GLU B 1 18 ? 6.753 3.314 -6.642 1.00 0.00 ? 18 GLU B CB 11 ATOM 15182 C CG . GLU B 1 18 ? 7.033 4.764 -7.001 1.00 0.00 ? 18 GLU B CG 11 ATOM 15183 C CD . GLU B 1 18 ? 8.113 4.906 -8.056 1.00 0.00 ? 18 GLU B CD 11 ATOM 15184 O OE1 . GLU B 1 18 ? 8.742 3.885 -8.402 1.00 0.00 ? 18 GLU B OE1 11 ATOM 15185 O OE2 . GLU B 1 18 ? 8.328 6.039 -8.536 1.00 0.00 ? 18 GLU B OE2 11 ATOM 15186 H H . GLU B 1 18 ? 7.438 2.053 -4.520 1.00 0.00 ? 18 GLU B H 11 ATOM 15187 H HA . GLU B 1 18 ? 5.530 4.122 -5.082 1.00 0.00 ? 18 GLU B HA 11 ATOM 15188 H HB2 . GLU B 1 18 ? 7.698 2.824 -6.457 1.00 0.00 ? 18 GLU B HB2 11 ATOM 15189 H HB3 . GLU B 1 18 ? 6.273 2.843 -7.487 1.00 0.00 ? 18 GLU B HB3 11 ATOM 15190 H HG2 . GLU B 1 18 ? 6.124 5.211 -7.376 1.00 0.00 ? 18 GLU B HG2 11 ATOM 15191 H HG3 . GLU B 1 18 ? 7.349 5.288 -6.111 1.00 0.00 ? 18 GLU B HG3 11 ATOM 15192 N N . ARG B 1 19 ? 4.818 0.990 -5.781 1.00 0.00 ? 19 ARG B N 11 ATOM 15193 C CA . ARG B 1 19 ? 3.723 0.081 -6.095 1.00 0.00 ? 19 ARG B CA 11 ATOM 15194 C C . ARG B 1 19 ? 2.742 0.002 -4.933 1.00 0.00 ? 19 ARG B C 11 ATOM 15195 O O . ARG B 1 19 ? 1.564 -0.300 -5.123 1.00 0.00 ? 19 ARG B O 11 ATOM 15196 C CB . ARG B 1 19 ? 4.262 -1.312 -6.423 1.00 0.00 ? 19 ARG B CB 11 ATOM 15197 C CG . ARG B 1 19 ? 4.971 -1.389 -7.766 1.00 0.00 ? 19 ARG B CG 11 ATOM 15198 C CD . ARG B 1 19 ? 4.027 -1.072 -8.914 1.00 0.00 ? 19 ARG B CD 11 ATOM 15199 N NE . ARG B 1 19 ? 3.997 0.355 -9.221 1.00 0.00 ? 19 ARG B NE 11 ATOM 15200 C CZ . ARG B 1 19 ? 3.033 0.937 -9.925 1.00 0.00 ? 19 ARG B CZ 11 ATOM 15201 N NH1 . ARG B 1 19 ? 2.022 0.216 -10.391 1.00 0.00 ? 19 ARG B NH1 11 ATOM 15202 N NH2 . ARG B 1 19 ? 3.077 2.241 -10.162 1.00 0.00 ? 19 ARG B NH2 11 ATOM 15203 H H . ARG B 1 19 ? 5.704 0.620 -5.576 1.00 0.00 ? 19 ARG B H 11 ATOM 15204 H HA . ARG B 1 19 ? 3.206 0.472 -6.959 1.00 0.00 ? 19 ARG B HA 11 ATOM 15205 H HB2 . ARG B 1 19 ? 4.961 -1.607 -5.654 1.00 0.00 ? 19 ARG B HB2 11 ATOM 15206 H HB3 . ARG B 1 19 ? 3.439 -2.011 -6.435 1.00 0.00 ? 19 ARG B HB3 11 ATOM 15207 H HG2 . ARG B 1 19 ? 5.783 -0.678 -7.775 1.00 0.00 ? 19 ARG B HG2 11 ATOM 15208 H HG3 . ARG B 1 19 ? 5.363 -2.387 -7.899 1.00 0.00 ? 19 ARG B HG3 11 ATOM 15209 H HD2 . ARG B 1 19 ? 4.352 -1.613 -9.791 1.00 0.00 ? 19 ARG B HD2 11 ATOM 15210 H HD3 . ARG B 1 19 ? 3.031 -1.393 -8.643 1.00 0.00 ? 19 ARG B HD3 11 ATOM 15211 H HE . ARG B 1 19 ? 4.735 0.906 -8.886 1.00 0.00 ? 19 ARG B HE 11 ATOM 15212 H HH11 . ARG B 1 19 ? 1.985 -0.767 -10.213 1.00 0.00 ? 19 ARG B HH11 11 ATOM 15213 H HH12 . ARG B 1 19 ? 1.296 0.657 -10.920 1.00 0.00 ? 19 ARG B HH12 11 ATOM 15214 H HH21 . ARG B 1 19 ? 3.838 2.788 -9.811 1.00 0.00 ? 19 ARG B HH21 11 ATOM 15215 H HH22 . ARG B 1 19 ? 2.349 2.678 -10.691 1.00 0.00 ? 19 ARG B HH22 11 ATOM 15216 N N . LEU B 1 20 ? 3.231 0.285 -3.731 1.00 0.00 ? 20 LEU B N 11 ATOM 15217 C CA . LEU B 1 20 ? 2.391 0.257 -2.543 1.00 0.00 ? 20 LEU B CA 11 ATOM 15218 C C . LEU B 1 20 ? 1.467 1.466 -2.532 1.00 0.00 ? 20 LEU B C 11 ATOM 15219 O O . LEU B 1 20 ? 0.295 1.359 -2.173 1.00 0.00 ? 20 LEU B O 11 ATOM 15220 C CB . LEU B 1 20 ? 3.245 0.233 -1.274 1.00 0.00 ? 20 LEU B CB 11 ATOM 15221 C CG . LEU B 1 20 ? 3.507 -1.155 -0.684 1.00 0.00 ? 20 LEU B CG 11 ATOM 15222 C CD1 . LEU B 1 20 ? 2.312 -1.618 0.135 1.00 0.00 ? 20 LEU B CD1 11 ATOM 15223 C CD2 . LEU B 1 20 ? 3.821 -2.162 -1.782 1.00 0.00 ? 20 LEU B CD2 11 ATOM 15224 H H . LEU B 1 20 ? 4.177 0.528 -3.642 1.00 0.00 ? 20 LEU B H 11 ATOM 15225 H HA . LEU B 1 20 ? 1.791 -0.641 -2.583 1.00 0.00 ? 20 LEU B HA 11 ATOM 15226 H HB2 . LEU B 1 20 ? 4.195 0.694 -1.497 1.00 0.00 ? 20 LEU B HB2 11 ATOM 15227 H HB3 . LEU B 1 20 ? 2.750 0.827 -0.524 1.00 0.00 ? 20 LEU B HB3 11 ATOM 15228 H HG . LEU B 1 20 ? 4.360 -1.103 -0.024 1.00 0.00 ? 20 LEU B HG 11 ATOM 15229 H HD11 . LEU B 1 20 ? 2.018 -0.834 0.817 1.00 0.00 ? 20 LEU B HD11 11 ATOM 15230 H HD12 . LEU B 1 20 ? 1.490 -1.848 -0.525 1.00 0.00 ? 20 LEU B HD12 11 ATOM 15231 H HD13 . LEU B 1 20 ? 2.580 -2.501 0.697 1.00 0.00 ? 20 LEU B HD13 11 ATOM 15232 H HD21 . LEU B 1 20 ? 3.927 -1.646 -2.724 1.00 0.00 ? 20 LEU B HD21 11 ATOM 15233 H HD22 . LEU B 1 20 ? 4.742 -2.675 -1.547 1.00 0.00 ? 20 LEU B HD22 11 ATOM 15234 H HD23 . LEU B 1 20 ? 3.018 -2.880 -1.853 1.00 0.00 ? 20 LEU B HD23 11 ATOM 15235 N N . GLN B 1 21 ? 2.000 2.614 -2.940 1.00 0.00 ? 21 GLN B N 11 ATOM 15236 C CA . GLN B 1 21 ? 1.218 3.842 -2.988 1.00 0.00 ? 21 GLN B CA 11 ATOM 15237 C C . GLN B 1 21 ? 0.065 3.700 -3.977 1.00 0.00 ? 21 GLN B C 11 ATOM 15238 O O . GLN B 1 21 ? -1.088 3.992 -3.653 1.00 0.00 ? 21 GLN B O 11 ATOM 15239 C CB . GLN B 1 21 ? 2.105 5.024 -3.384 1.00 0.00 ? 21 GLN B CB 11 ATOM 15240 C CG . GLN B 1 21 ? 2.929 5.578 -2.233 1.00 0.00 ? 21 GLN B CG 11 ATOM 15241 C CD . GLN B 1 21 ? 2.967 7.094 -2.221 1.00 0.00 ? 21 GLN B CD 11 ATOM 15242 O OE1 . GLN B 1 21 ? 3.881 7.709 -2.770 1.00 0.00 ? 21 GLN B OE1 11 ATOM 15243 N NE2 . GLN B 1 21 ? 1.970 7.706 -1.590 1.00 0.00 ? 21 GLN B NE2 11 ATOM 15244 H H . GLN B 1 21 ? 2.941 2.634 -3.223 1.00 0.00 ? 21 GLN B H 11 ATOM 15245 H HA . GLN B 1 21 ? 0.813 4.018 -2.003 1.00 0.00 ? 21 GLN B HA 11 ATOM 15246 H HB2 . GLN B 1 21 ? 2.782 4.706 -4.163 1.00 0.00 ? 21 GLN B HB2 11 ATOM 15247 H HB3 . GLN B 1 21 ? 1.478 5.817 -3.766 1.00 0.00 ? 21 GLN B HB3 11 ATOM 15248 H HG2 . GLN B 1 21 ? 2.501 5.237 -1.303 1.00 0.00 ? 21 GLN B HG2 11 ATOM 15249 H HG3 . GLN B 1 21 ? 3.940 5.208 -2.321 1.00 0.00 ? 21 GLN B HG3 11 ATOM 15250 H HE21 . GLN B 1 21 ? 1.276 7.152 -1.175 1.00 0.00 ? 21 GLN B HE21 11 ATOM 15251 H HE22 . GLN B 1 21 ? 1.969 8.684 -1.567 1.00 0.00 ? 21 GLN B HE22 11 ATOM 15252 N N . LYS B 1 22 ? 0.382 3.239 -5.185 1.00 0.00 ? 22 LYS B N 11 ATOM 15253 C CA . LYS B 1 22 ? -0.631 3.051 -6.215 1.00 0.00 ? 22 LYS B CA 11 ATOM 15254 C C . LYS B 1 22 ? -1.640 1.993 -5.782 1.00 0.00 ? 22 LYS B C 11 ATOM 15255 O O . LYS B 1 22 ? -2.808 2.036 -6.169 1.00 0.00 ? 22 LYS B O 11 ATOM 15256 C CB . LYS B 1 22 ? 0.022 2.643 -7.537 1.00 0.00 ? 22 LYS B CB 11 ATOM 15257 C CG . LYS B 1 22 ? 0.064 3.761 -8.565 1.00 0.00 ? 22 LYS B CG 11 ATOM 15258 C CD . LYS B 1 22 ? -1.333 4.150 -9.023 1.00 0.00 ? 22 LYS B CD 11 ATOM 15259 C CE . LYS B 1 22 ? -1.837 5.380 -8.286 1.00 0.00 ? 22 LYS B CE 11 ATOM 15260 N NZ . LYS B 1 22 ? -2.489 6.350 -9.209 1.00 0.00 ? 22 LYS B NZ 11 ATOM 15261 H H . LYS B 1 22 ? 1.318 3.016 -5.385 1.00 0.00 ? 22 LYS B H 11 ATOM 15262 H HA . LYS B 1 22 ? -1.147 3.990 -6.350 1.00 0.00 ? 22 LYS B HA 11 ATOM 15263 H HB2 . LYS B 1 22 ? 1.035 2.325 -7.341 1.00 0.00 ? 22 LYS B HB2 11 ATOM 15264 H HB3 . LYS B 1 22 ? -0.530 1.816 -7.957 1.00 0.00 ? 22 LYS B HB3 11 ATOM 15265 H HG2 . LYS B 1 22 ? 0.541 4.624 -8.125 1.00 0.00 ? 22 LYS B HG2 11 ATOM 15266 H HG3 . LYS B 1 22 ? 0.635 3.429 -9.420 1.00 0.00 ? 22 LYS B HG3 11 ATOM 15267 H HD2 . LYS B 1 22 ? -1.308 4.361 -10.082 1.00 0.00 ? 22 LYS B HD2 11 ATOM 15268 H HD3 . LYS B 1 22 ? -2.004 3.326 -8.833 1.00 0.00 ? 22 LYS B HD3 11 ATOM 15269 H HE2 . LYS B 1 22 ? -2.554 5.069 -7.541 1.00 0.00 ? 22 LYS B HE2 11 ATOM 15270 H HE3 . LYS B 1 22 ? -1.002 5.862 -7.802 1.00 0.00 ? 22 LYS B HE3 11 ATOM 15271 H HZ1 . LYS B 1 22 ? -2.402 6.023 -10.192 1.00 0.00 ? 22 LYS B HZ1 11 ATOM 15272 H HZ2 . LYS B 1 22 ? -3.498 6.444 -8.973 1.00 0.00 ? 22 LYS B HZ2 11 ATOM 15273 H HZ3 . LYS B 1 22 ? -2.037 7.283 -9.124 1.00 0.00 ? 22 LYS B HZ3 11 ATOM 15274 N N . GLU B 1 23 ? -1.176 1.046 -4.973 1.00 0.00 ? 23 GLU B N 11 ATOM 15275 C CA . GLU B 1 23 ? -2.032 -0.026 -4.480 1.00 0.00 ? 23 GLU B CA 11 ATOM 15276 C C . GLU B 1 23 ? -3.066 0.515 -3.498 1.00 0.00 ? 23 GLU B C 11 ATOM 15277 O O . GLU B 1 23 ? -4.207 0.052 -3.468 1.00 0.00 ? 23 GLU B O 11 ATOM 15278 C CB . GLU B 1 23 ? -1.189 -1.111 -3.807 1.00 0.00 ? 23 GLU B CB 11 ATOM 15279 C CG . GLU B 1 23 ? -1.232 -2.448 -4.528 1.00 0.00 ? 23 GLU B CG 11 ATOM 15280 C CD . GLU B 1 23 ? -0.006 -2.685 -5.388 1.00 0.00 ? 23 GLU B CD 11 ATOM 15281 O OE1 . GLU B 1 23 ? 0.034 -2.163 -6.522 1.00 0.00 ? 23 GLU B OE1 11 ATOM 15282 O OE2 . GLU B 1 23 ? 0.914 -3.394 -4.928 1.00 0.00 ? 23 GLU B OE2 11 ATOM 15283 H H . GLU B 1 23 ? -0.235 1.070 -4.700 1.00 0.00 ? 23 GLU B H 11 ATOM 15284 H HA . GLU B 1 23 ? -2.547 -0.455 -5.326 1.00 0.00 ? 23 GLU B HA 11 ATOM 15285 H HB2 . GLU B 1 23 ? -0.162 -0.780 -3.768 1.00 0.00 ? 23 GLU B HB2 11 ATOM 15286 H HB3 . GLU B 1 23 ? -1.550 -1.258 -2.800 1.00 0.00 ? 23 GLU B HB3 11 ATOM 15287 H HG2 . GLU B 1 23 ? -1.295 -3.237 -3.793 1.00 0.00 ? 23 GLU B HG2 11 ATOM 15288 H HG3 . GLU B 1 23 ? -2.108 -2.474 -5.159 1.00 0.00 ? 23 GLU B HG3 11 ATOM 15289 N N . ILE B 1 24 ? -2.665 1.501 -2.700 1.00 0.00 ? 24 ILE B N 11 ATOM 15290 C CA . ILE B 1 24 ? -3.571 2.096 -1.725 1.00 0.00 ? 24 ILE B CA 11 ATOM 15291 C C . ILE B 1 24 ? -4.697 2.841 -2.442 1.00 0.00 ? 24 ILE B C 11 ATOM 15292 O O . ILE B 1 24 ? -5.861 2.761 -2.050 1.00 0.00 ? 24 ILE B O 11 ATOM 15293 C CB . ILE B 1 24 ? -2.827 3.035 -0.718 1.00 0.00 ? 24 ILE B CB 11 ATOM 15294 C CG1 . ILE B 1 24 ? -2.822 4.501 -1.177 1.00 0.00 ? 24 ILE B CG1 11 ATOM 15295 C CG2 . ILE B 1 24 ? -1.399 2.560 -0.492 1.00 0.00 ? 24 ILE B CG2 11 ATOM 15296 C CD1 . ILE B 1 24 ? -4.111 5.227 -0.859 1.00 0.00 ? 24 ILE B CD1 11 ATOM 15297 H H . ILE B 1 24 ? -1.747 1.833 -2.773 1.00 0.00 ? 24 ILE B H 11 ATOM 15298 H HA . ILE B 1 24 ? -4.010 1.284 -1.161 1.00 0.00 ? 24 ILE B HA 11 ATOM 15299 H HB . ILE B 1 24 ? -3.343 2.971 0.229 1.00 0.00 ? 24 ILE B HB 11 ATOM 15300 H HG12 . ILE B 1 24 ? -2.016 5.024 -0.683 1.00 0.00 ? 24 ILE B HG12 11 ATOM 15301 H HG13 . ILE B 1 24 ? -2.671 4.541 -2.245 1.00 0.00 ? 24 ILE B HG13 11 ATOM 15302 H HG21 . ILE B 1 24 ? -1.343 1.494 -0.651 1.00 0.00 ? 24 ILE B HG21 11 ATOM 15303 H HG22 . ILE B 1 24 ? -0.739 3.062 -1.184 1.00 0.00 ? 24 ILE B HG22 11 ATOM 15304 H HG23 . ILE B 1 24 ? -1.100 2.789 0.521 1.00 0.00 ? 24 ILE B HG23 11 ATOM 15305 H HD11 . ILE B 1 24 ? -4.796 4.546 -0.370 1.00 0.00 ? 24 ILE B HD11 11 ATOM 15306 H HD12 . ILE B 1 24 ? -3.904 6.061 -0.204 1.00 0.00 ? 24 ILE B HD12 11 ATOM 15307 H HD13 . ILE B 1 24 ? -4.556 5.589 -1.774 1.00 0.00 ? 24 ILE B HD13 11 ATOM 15308 N N . GLU B 1 25 ? -4.334 3.558 -3.503 1.00 0.00 ? 25 GLU B N 11 ATOM 15309 C CA . GLU B 1 25 ? -5.305 4.310 -4.285 1.00 0.00 ? 25 GLU B CA 11 ATOM 15310 C C . GLU B 1 25 ? -6.375 3.379 -4.842 1.00 0.00 ? 25 GLU B C 11 ATOM 15311 O O . GLU B 1 25 ? -7.566 3.686 -4.799 1.00 0.00 ? 25 GLU B O 11 ATOM 15312 C CB . GLU B 1 25 ? -4.611 5.053 -5.428 1.00 0.00 ? 25 GLU B CB 11 ATOM 15313 C CG . GLU B 1 25 ? -5.349 6.303 -5.879 1.00 0.00 ? 25 GLU B CG 11 ATOM 15314 C CD . GLU B 1 25 ? -4.450 7.276 -6.616 1.00 0.00 ? 25 GLU B CD 11 ATOM 15315 O OE1 . GLU B 1 25 ? -3.357 7.584 -6.096 1.00 0.00 ? 25 GLU B OE1 11 ATOM 15316 O OE2 . GLU B 1 25 ? -4.839 7.730 -7.712 1.00 0.00 ? 25 GLU B OE2 11 ATOM 15317 H H . GLU B 1 25 ? -3.389 3.576 -3.769 1.00 0.00 ? 25 GLU B H 11 ATOM 15318 H HA . GLU B 1 25 ? -5.775 5.030 -3.631 1.00 0.00 ? 25 GLU B HA 11 ATOM 15319 H HB2 . GLU B 1 25 ? -3.622 5.342 -5.105 1.00 0.00 ? 25 GLU B HB2 11 ATOM 15320 H HB3 . GLU B 1 25 ? -4.523 4.387 -6.274 1.00 0.00 ? 25 GLU B HB3 11 ATOM 15321 H HG2 . GLU B 1 25 ? -6.154 6.012 -6.538 1.00 0.00 ? 25 GLU B HG2 11 ATOM 15322 H HG3 . GLU B 1 25 ? -5.757 6.798 -5.011 1.00 0.00 ? 25 GLU B HG3 11 ATOM 15323 N N . ARG B 1 26 ? -5.941 2.233 -5.358 1.00 0.00 ? 26 ARG B N 11 ATOM 15324 C CA . ARG B 1 26 ? -6.863 1.251 -5.915 1.00 0.00 ? 26 ARG B CA 11 ATOM 15325 C C . ARG B 1 26 ? -7.907 0.855 -4.878 1.00 0.00 ? 26 ARG B C 11 ATOM 15326 O O . ARG B 1 26 ? -9.106 0.845 -5.158 1.00 0.00 ? 26 ARG B O 11 ATOM 15327 C CB . ARG B 1 26 ? -6.100 0.013 -6.390 1.00 0.00 ? 26 ARG B CB 11 ATOM 15328 C CG . ARG B 1 26 ? -6.738 -0.671 -7.588 1.00 0.00 ? 26 ARG B CG 11 ATOM 15329 C CD . ARG B 1 26 ? -6.875 0.281 -8.765 1.00 0.00 ? 26 ARG B CD 11 ATOM 15330 N NE . ARG B 1 26 ? -5.637 1.010 -9.027 1.00 0.00 ? 26 ARG B NE 11 ATOM 15331 C CZ . ARG B 1 26 ? -4.576 0.470 -9.618 1.00 0.00 ? 26 ARG B CZ 11 ATOM 15332 N NH1 . ARG B 1 26 ? -4.604 -0.798 -10.004 1.00 0.00 ? 26 ARG B NH1 11 ATOM 15333 N NH2 . ARG B 1 26 ? -3.487 1.197 -9.822 1.00 0.00 ? 26 ARG B NH2 11 ATOM 15334 H H . ARG B 1 26 ? -4.978 2.041 -5.359 1.00 0.00 ? 26 ARG B H 11 ATOM 15335 H HA . ARG B 1 26 ? -7.362 1.704 -6.758 1.00 0.00 ? 26 ARG B HA 11 ATOM 15336 H HB2 . ARG B 1 26 ? -5.096 0.305 -6.661 1.00 0.00 ? 26 ARG B HB2 11 ATOM 15337 H HB3 . ARG B 1 26 ? -6.051 -0.700 -5.580 1.00 0.00 ? 26 ARG B HB3 11 ATOM 15338 H HG2 . ARG B 1 26 ? -6.120 -1.506 -7.885 1.00 0.00 ? 26 ARG B HG2 11 ATOM 15339 H HG3 . ARG B 1 26 ? -7.717 -1.027 -7.309 1.00 0.00 ? 26 ARG B HG3 11 ATOM 15340 H HD2 . ARG B 1 26 ? -7.138 -0.288 -9.645 1.00 0.00 ? 26 ARG B HD2 11 ATOM 15341 H HD3 . ARG B 1 26 ? -7.660 0.990 -8.549 1.00 0.00 ? 26 ARG B HD3 11 ATOM 15342 H HE . ARG B 1 26 ? -5.595 1.949 -8.750 1.00 0.00 ? 26 ARG B HE 11 ATOM 15343 H HH11 . ARG B 1 26 ? -5.423 -1.350 -9.852 1.00 0.00 ? 26 ARG B HH11 11 ATOM 15344 H HH12 . ARG B 1 26 ? -3.804 -1.203 -10.449 1.00 0.00 ? 26 ARG B HH12 11 ATOM 15345 H HH21 . ARG B 1 26 ? -3.462 2.154 -9.532 1.00 0.00 ? 26 ARG B HH21 11 ATOM 15346 H HH22 . ARG B 1 26 ? -2.689 0.789 -10.267 1.00 0.00 ? 26 ARG B HH22 11 ATOM 15347 N N . HIS B 1 27 ? -7.443 0.536 -3.673 1.00 0.00 ? 27 HIS B N 11 ATOM 15348 C CA . HIS B 1 27 ? -8.337 0.148 -2.591 1.00 0.00 ? 27 HIS B CA 11 ATOM 15349 C C . HIS B 1 27 ? -9.263 1.303 -2.222 1.00 0.00 ? 27 HIS B C 11 ATOM 15350 O O . HIS B 1 27 ? -10.359 1.092 -1.706 1.00 0.00 ? 27 HIS B O 11 ATOM 15351 C CB . HIS B 1 27 ? -7.533 -0.290 -1.366 1.00 0.00 ? 27 HIS B CB 11 ATOM 15352 C CG . HIS B 1 27 ? -7.538 -1.770 -1.144 1.00 0.00 ? 27 HIS B CG 11 ATOM 15353 N ND1 . HIS B 1 27 ? -8.695 -2.501 -0.963 1.00 0.00 ? 27 HIS B ND1 11 ATOM 15354 C CD2 . HIS B 1 27 ? -6.520 -2.660 -1.075 1.00 0.00 ? 27 HIS B CD2 11 ATOM 15355 C CE1 . HIS B 1 27 ? -8.387 -3.774 -0.790 1.00 0.00 ? 27 HIS B CE1 11 ATOM 15356 N NE2 . HIS B 1 27 ? -7.075 -3.896 -0.856 1.00 0.00 ? 27 HIS B NE2 11 ATOM 15357 H H . HIS B 1 27 ? -6.477 0.568 -3.507 1.00 0.00 ? 27 HIS B H 11 ATOM 15358 H HA . HIS B 1 27 ? -8.935 -0.682 -2.935 1.00 0.00 ? 27 HIS B HA 11 ATOM 15359 H HB2 . HIS B 1 27 ? -6.507 0.023 -1.486 1.00 0.00 ? 27 HIS B HB2 11 ATOM 15360 H HB3 . HIS B 1 27 ? -7.946 0.181 -0.486 1.00 0.00 ? 27 HIS B HB3 11 ATOM 15361 H HD1 . HIS B 1 27 ? -9.606 -2.139 -0.958 1.00 0.00 ? 27 HIS B HD1 11 ATOM 15362 H HD2 . HIS B 1 27 ? -5.467 -2.438 -1.176 1.00 0.00 ? 27 HIS B HD2 11 ATOM 15363 H HE1 . HIS B 1 27 ? -9.090 -4.578 -0.627 1.00 0.00 ? 27 HIS B HE1 11 ATOM 15364 H HE2 . HIS B 1 27 ? -6.578 -4.737 -0.762 1.00 0.00 ? 27 HIS B HE2 11 ATOM 15365 N N . LYS B 1 28 ? -8.810 2.525 -2.494 1.00 0.00 ? 28 LYS B N 11 ATOM 15366 C CA . LYS B 1 28 ? -9.595 3.716 -2.195 1.00 0.00 ? 28 LYS B CA 11 ATOM 15367 C C . LYS B 1 28 ? -10.772 3.845 -3.156 1.00 0.00 ? 28 LYS B C 11 ATOM 15368 O O . LYS B 1 28 ? -11.854 4.291 -2.773 1.00 0.00 ? 28 LYS B O 11 ATOM 15369 C CB . LYS B 1 28 ? -8.716 4.964 -2.279 1.00 0.00 ? 28 LYS B CB 11 ATOM 15370 C CG . LYS B 1 28 ? -9.444 6.247 -1.909 1.00 0.00 ? 28 LYS B CG 11 ATOM 15371 C CD . LYS B 1 28 ? -10.129 6.867 -3.115 1.00 0.00 ? 28 LYS B CD 11 ATOM 15372 C CE . LYS B 1 28 ? -9.348 8.058 -3.647 1.00 0.00 ? 28 LYS B CE 11 ATOM 15373 N NZ . LYS B 1 28 ? -10.151 9.312 -3.606 1.00 0.00 ? 28 LYS B NZ 11 ATOM 15374 H H . LYS B 1 28 ? -7.928 2.627 -2.908 1.00 0.00 ? 28 LYS B H 11 ATOM 15375 H HA . LYS B 1 28 ? -9.973 3.620 -1.190 1.00 0.00 ? 28 LYS B HA 11 ATOM 15376 H HB2 . LYS B 1 28 ? -7.876 4.846 -1.610 1.00 0.00 ? 28 LYS B HB2 11 ATOM 15377 H HB3 . LYS B 1 28 ? -8.348 5.065 -3.289 1.00 0.00 ? 28 LYS B HB3 11 ATOM 15378 H HG2 . LYS B 1 28 ? -10.189 6.023 -1.160 1.00 0.00 ? 28 LYS B HG2 11 ATOM 15379 H HG3 . LYS B 1 28 ? -8.730 6.951 -1.509 1.00 0.00 ? 28 LYS B HG3 11 ATOM 15380 H HD2 . LYS B 1 28 ? -10.206 6.124 -3.895 1.00 0.00 ? 28 LYS B HD2 11 ATOM 15381 H HD3 . LYS B 1 28 ? -11.116 7.195 -2.828 1.00 0.00 ? 28 LYS B HD3 11 ATOM 15382 H HE2 . LYS B 1 28 ? -8.461 8.190 -3.044 1.00 0.00 ? 28 LYS B HE2 11 ATOM 15383 H HE3 . LYS B 1 28 ? -9.062 7.858 -4.669 1.00 0.00 ? 28 LYS B HE3 11 ATOM 15384 H HZ1 . LYS B 1 28 ? -10.695 9.358 -2.720 1.00 0.00 ? 28 LYS B HZ1 11 ATOM 15385 H HZ2 . LYS B 1 28 ? -9.524 10.140 -3.659 1.00 0.00 ? 28 LYS B HZ2 11 ATOM 15386 H HZ3 . LYS B 1 28 ? -10.812 9.339 -4.408 1.00 0.00 ? 28 LYS B HZ3 11 ATOM 15387 N N . GLN B 1 29 ? -10.553 3.452 -4.407 1.00 0.00 ? 29 GLN B N 11 ATOM 15388 C CA . GLN B 1 29 ? -11.595 3.525 -5.425 1.00 0.00 ? 29 GLN B CA 11 ATOM 15389 C C . GLN B 1 29 ? -12.650 2.447 -5.203 1.00 0.00 ? 29 GLN B C 11 ATOM 15390 O O . GLN B 1 29 ? -13.823 2.641 -5.520 1.00 0.00 ? 29 GLN B O 11 ATOM 15391 C CB . GLN B 1 29 ? -10.986 3.377 -6.819 1.00 0.00 ? 29 GLN B CB 11 ATOM 15392 C CG . GLN B 1 29 ? -11.609 4.298 -7.855 1.00 0.00 ? 29 GLN B CG 11 ATOM 15393 C CD . GLN B 1 29 ? -10.742 5.504 -8.160 1.00 0.00 ? 29 GLN B CD 11 ATOM 15394 O OE1 . GLN B 1 29 ? -9.522 5.464 -7.995 1.00 0.00 ? 29 GLN B OE1 11 ATOM 15395 N NE2 . GLN B 1 29 ? -11.368 6.586 -8.606 1.00 0.00 ? 29 GLN B NE2 11 ATOM 15396 H H . GLN B 1 29 ? -9.670 3.106 -4.651 1.00 0.00 ? 29 GLN B H 11 ATOM 15397 H HA . GLN B 1 29 ? -12.065 4.494 -5.348 1.00 0.00 ? 29 GLN B HA 11 ATOM 15398 H HB2 . GLN B 1 29 ? -9.929 3.596 -6.763 1.00 0.00 ? 29 GLN B HB2 11 ATOM 15399 H HB3 . GLN B 1 29 ? -11.117 2.359 -7.150 1.00 0.00 ? 29 GLN B HB3 11 ATOM 15400 H HG2 . GLN B 1 29 ? -11.759 3.743 -8.769 1.00 0.00 ? 29 GLN B HG2 11 ATOM 15401 H HG3 . GLN B 1 29 ? -12.562 4.644 -7.483 1.00 0.00 ? 29 GLN B HG3 11 ATOM 15402 H HE21 . GLN B 1 29 ? -12.342 6.547 -8.713 1.00 0.00 ? 29 GLN B HE21 11 ATOM 15403 H HE22 . GLN B 1 29 ? -10.832 7.381 -8.812 1.00 0.00 ? 29 GLN B HE22 11 ATOM 15404 N N . SER B 1 30 ? -12.227 1.312 -4.658 1.00 0.00 ? 30 SER B N 11 ATOM 15405 C CA . SER B 1 30 ? -13.140 0.206 -4.396 1.00 0.00 ? 30 SER B CA 11 ATOM 15406 C C . SER B 1 30 ? -14.036 0.515 -3.199 1.00 0.00 ? 30 SER B C 11 ATOM 15407 O O . SER B 1 30 ? -15.211 0.150 -3.179 1.00 0.00 ? 30 SER B O 11 ATOM 15408 C CB . SER B 1 30 ? -12.356 -1.083 -4.140 1.00 0.00 ? 30 SER B CB 11 ATOM 15409 O OG . SER B 1 30 ? -13.106 -2.222 -4.521 1.00 0.00 ? 30 SER B OG 11 ATOM 15410 H H . SER B 1 30 ? -11.279 1.215 -4.428 1.00 0.00 ? 30 SER B H 11 ATOM 15411 H HA . SER B 1 30 ? -13.761 0.073 -5.269 1.00 0.00 ? 30 SER B HA 11 ATOM 15412 H HB2 . SER B 1 30 ? -11.440 -1.063 -4.713 1.00 0.00 ? 30 SER B HB2 11 ATOM 15413 H HB3 . SER B 1 30 ? -12.121 -1.156 -3.088 1.00 0.00 ? 30 SER B HB3 11 ATOM 15414 H HG . SER B 1 30 ? -14.014 -2.122 -4.223 1.00 0.00 ? 30 SER B HG 11 ATOM 15415 N N . ILE B 1 31 ? -13.470 1.189 -2.205 1.00 0.00 ? 31 ILE B N 11 ATOM 15416 C CA . ILE B 1 31 ? -14.208 1.552 -1.000 1.00 0.00 ? 31 ILE B CA 11 ATOM 15417 C C . ILE B 1 31 ? -15.232 2.646 -1.289 1.00 0.00 ? 31 ILE B C 11 ATOM 15418 O O . ILE B 1 31 ? -16.317 2.663 -0.707 1.00 0.00 ? 31 ILE B O 11 ATOM 15419 C CB . ILE B 1 31 ? -13.245 2.024 0.109 1.00 0.00 ? 31 ILE B CB 11 ATOM 15420 C CG1 . ILE B 1 31 ? -14.006 2.493 1.350 1.00 0.00 ? 31 ILE B CG1 11 ATOM 15421 C CG2 . ILE B 1 31 ? -12.349 3.138 -0.408 1.00 0.00 ? 31 ILE B CG2 11 ATOM 15422 C CD1 . ILE B 1 31 ? -14.750 1.388 2.063 1.00 0.00 ? 31 ILE B CD1 11 ATOM 15423 H H . ILE B 1 31 ? -12.527 1.450 -2.283 1.00 0.00 ? 31 ILE B H 11 ATOM 15424 H HA . ILE B 1 31 ? -14.725 0.672 -0.647 1.00 0.00 ? 31 ILE B HA 11 ATOM 15425 H HB . ILE B 1 31 ? -12.619 1.188 0.376 1.00 0.00 ? 31 ILE B HB 11 ATOM 15426 H HG12 . ILE B 1 31 ? -13.301 2.918 2.052 1.00 0.00 ? 31 ILE B HG12 11 ATOM 15427 H HG13 . ILE B 1 31 ? -14.723 3.247 1.063 1.00 0.00 ? 31 ILE B HG13 11 ATOM 15428 H HG21 . ILE B 1 31 ? -12.957 3.915 -0.848 1.00 0.00 ? 31 ILE B HG21 11 ATOM 15429 H HG22 . ILE B 1 31 ? -11.777 3.550 0.410 1.00 0.00 ? 31 ILE B HG22 11 ATOM 15430 H HG23 . ILE B 1 31 ? -11.677 2.743 -1.152 1.00 0.00 ? 31 ILE B HG23 11 ATOM 15431 H HD11 . ILE B 1 31 ? -15.418 0.897 1.372 1.00 0.00 ? 31 ILE B HD11 11 ATOM 15432 H HD12 . ILE B 1 31 ? -14.042 0.672 2.450 1.00 0.00 ? 31 ILE B HD12 11 ATOM 15433 H HD13 . ILE B 1 31 ? -15.318 1.805 2.880 1.00 0.00 ? 31 ILE B HD13 11 ATOM 15434 N N . LYS B 1 32 ? -14.884 3.555 -2.195 1.00 0.00 ? 32 LYS B N 11 ATOM 15435 C CA . LYS B 1 32 ? -15.780 4.646 -2.560 1.00 0.00 ? 32 LYS B CA 11 ATOM 15436 C C . LYS B 1 32 ? -16.888 4.150 -3.483 1.00 0.00 ? 32 LYS B C 11 ATOM 15437 O O . LYS B 1 32 ? -18.021 4.627 -3.422 1.00 0.00 ? 32 LYS B O 11 ATOM 15438 C CB . LYS B 1 32 ? -14.999 5.772 -3.239 1.00 0.00 ? 32 LYS B CB 11 ATOM 15439 C CG . LYS B 1 32 ? -14.336 6.728 -2.260 1.00 0.00 ? 32 LYS B CG 11 ATOM 15440 C CD . LYS B 1 32 ? -15.307 7.788 -1.771 1.00 0.00 ? 32 LYS B CD 11 ATOM 15441 C CE . LYS B 1 32 ? -14.721 8.594 -0.623 1.00 0.00 ? 32 LYS B CE 11 ATOM 15442 N NZ . LYS B 1 32 ? -14.466 10.008 -1.011 1.00 0.00 ? 32 LYS B NZ 11 ATOM 15443 H H . LYS B 1 32 ? -14.008 3.488 -2.629 1.00 0.00 ? 32 LYS B H 11 ATOM 15444 H HA . LYS B 1 32 ? -16.228 5.025 -1.653 1.00 0.00 ? 32 LYS B HA 11 ATOM 15445 H HB2 . LYS B 1 32 ? -14.231 5.337 -3.862 1.00 0.00 ? 32 LYS B HB2 11 ATOM 15446 H HB3 . LYS B 1 32 ? -15.675 6.340 -3.860 1.00 0.00 ? 32 LYS B HB3 11 ATOM 15447 H HG2 . LYS B 1 32 ? -13.974 6.165 -1.412 1.00 0.00 ? 32 LYS B HG2 11 ATOM 15448 H HG3 . LYS B 1 32 ? -13.505 7.212 -2.753 1.00 0.00 ? 32 LYS B HG3 11 ATOM 15449 H HD2 . LYS B 1 32 ? -15.536 8.458 -2.587 1.00 0.00 ? 32 LYS B HD2 11 ATOM 15450 H HD3 . LYS B 1 32 ? -16.213 7.305 -1.434 1.00 0.00 ? 32 LYS B HD3 11 ATOM 15451 H HE2 . LYS B 1 32 ? -15.416 8.577 0.203 1.00 0.00 ? 32 LYS B HE2 11 ATOM 15452 H HE3 . LYS B 1 32 ? -13.790 8.139 -0.319 1.00 0.00 ? 32 LYS B HE3 11 ATOM 15453 H HZ1 . LYS B 1 32 ? -14.279 10.071 -2.032 1.00 0.00 ? 32 LYS B HZ1 11 ATOM 15454 H HZ2 . LYS B 1 32 ? -15.293 10.597 -0.783 1.00 0.00 ? 32 LYS B HZ2 11 ATOM 15455 H HZ3 . LYS B 1 32 ? -13.640 10.377 -0.496 1.00 0.00 ? 32 LYS B HZ3 11 ATOM 15456 N N . LYS B 1 33 ? -16.553 3.183 -4.331 1.00 0.00 ? 33 LYS B N 11 ATOM 15457 C CA . LYS B 1 33 ? -17.520 2.616 -5.263 1.00 0.00 ? 33 LYS B CA 11 ATOM 15458 C C . LYS B 1 33 ? -18.486 1.692 -4.531 1.00 0.00 ? 33 LYS B C 11 ATOM 15459 O O . LYS B 1 33 ? -19.636 1.528 -4.940 1.00 0.00 ? 33 LYS B O 11 ATOM 15460 C CB . LYS B 1 33 ? -16.803 1.850 -6.374 1.00 0.00 ? 33 LYS B CB 11 ATOM 15461 C CG . LYS B 1 33 ? -16.704 2.623 -7.679 1.00 0.00 ? 33 LYS B CG 11 ATOM 15462 C CD . LYS B 1 33 ? -15.734 1.961 -8.646 1.00 0.00 ? 33 LYS B CD 11 ATOM 15463 C CE . LYS B 1 33 ? -15.599 2.760 -9.933 1.00 0.00 ? 33 LYS B CE 11 ATOM 15464 N NZ . LYS B 1 33 ? -15.428 1.878 -11.119 1.00 0.00 ? 33 LYS B NZ 11 ATOM 15465 H H . LYS B 1 33 ? -15.636 2.840 -4.327 1.00 0.00 ? 33 LYS B H 11 ATOM 15466 H HA . LYS B 1 33 ? -18.079 3.431 -5.698 1.00 0.00 ? 33 LYS B HA 11 ATOM 15467 H HB2 . LYS B 1 33 ? -15.802 1.613 -6.045 1.00 0.00 ? 33 LYS B HB2 11 ATOM 15468 H HB3 . LYS B 1 33 ? -17.336 0.930 -6.564 1.00 0.00 ? 33 LYS B HB3 11 ATOM 15469 H HG2 . LYS B 1 33 ? -17.680 2.663 -8.138 1.00 0.00 ? 33 LYS B HG2 11 ATOM 15470 H HG3 . LYS B 1 33 ? -16.361 3.624 -7.469 1.00 0.00 ? 33 LYS B HG3 11 ATOM 15471 H HD2 . LYS B 1 33 ? -14.765 1.890 -8.175 1.00 0.00 ? 33 LYS B HD2 11 ATOM 15472 H HD3 . LYS B 1 33 ? -16.095 0.972 -8.883 1.00 0.00 ? 33 LYS B HD3 11 ATOM 15473 H HE2 . LYS B 1 33 ? -16.488 3.359 -10.065 1.00 0.00 ? 33 LYS B HE2 11 ATOM 15474 H HE3 . LYS B 1 33 ? -14.739 3.408 -9.850 1.00 0.00 ? 33 LYS B HE3 11 ATOM 15475 H HZ1 . LYS B 1 33 ? -15.732 0.909 -10.891 1.00 0.00 ? 33 LYS B HZ1 11 ATOM 15476 H HZ2 . LYS B 1 33 ? -16.000 2.231 -11.913 1.00 0.00 ? 33 LYS B HZ2 11 ATOM 15477 H HZ3 . LYS B 1 33 ? -14.429 1.856 -11.407 1.00 0.00 ? 33 LYS B HZ3 11 ATOM 15478 N N . LEU B 1 34 ? -18.011 1.095 -3.443 1.00 0.00 ? 34 LEU B N 11 ATOM 15479 C CA . LEU B 1 34 ? -18.831 0.192 -2.647 1.00 0.00 ? 34 LEU B CA 11 ATOM 15480 C C . LEU B 1 34 ? -19.877 0.973 -1.859 1.00 0.00 ? 34 LEU B C 11 ATOM 15481 O O . LEU B 1 34 ? -21.038 0.573 -1.782 1.00 0.00 ? 34 LEU B O 11 ATOM 15482 C CB . LEU B 1 34 ? -17.955 -0.620 -1.691 1.00 0.00 ? 34 LEU B CB 11 ATOM 15483 C CG . LEU B 1 34 ? -18.235 -2.125 -1.662 1.00 0.00 ? 34 LEU B CG 11 ATOM 15484 C CD1 . LEU B 1 34 ? -19.732 -2.397 -1.648 1.00 0.00 ? 34 LEU B CD1 11 ATOM 15485 C CD2 . LEU B 1 34 ? -17.579 -2.810 -2.851 1.00 0.00 ? 34 LEU B CD2 11 ATOM 15486 H H . LEU B 1 34 ? -17.087 1.270 -3.167 1.00 0.00 ? 34 LEU B H 11 ATOM 15487 H HA . LEU B 1 34 ? -19.335 -0.483 -3.323 1.00 0.00 ? 34 LEU B HA 11 ATOM 15488 H HB2 . LEU B 1 34 ? -16.923 -0.473 -1.972 1.00 0.00 ? 34 LEU B HB2 11 ATOM 15489 H HB3 . LEU B 1 34 ? -18.096 -0.232 -0.693 1.00 0.00 ? 34 LEU B HB3 11 ATOM 15490 H HG . LEU B 1 34 ? -17.812 -2.545 -0.761 1.00 0.00 ? 34 LEU B HG 11 ATOM 15491 H HD11 . LEU B 1 34 ? -20.268 -1.462 -1.587 1.00 0.00 ? 34 LEU B HD11 11 ATOM 15492 H HD12 . LEU B 1 34 ? -20.013 -2.915 -2.553 1.00 0.00 ? 34 LEU B HD12 11 ATOM 15493 H HD13 . LEU B 1 34 ? -19.978 -3.009 -0.792 1.00 0.00 ? 34 LEU B HD13 11 ATOM 15494 H HD21 . LEU B 1 34 ? -16.612 -2.367 -3.034 1.00 0.00 ? 34 LEU B HD21 11 ATOM 15495 H HD22 . LEU B 1 34 ? -17.460 -3.862 -2.639 1.00 0.00 ? 34 LEU B HD22 11 ATOM 15496 H HD23 . LEU B 1 34 ? -18.201 -2.687 -3.726 1.00 0.00 ? 34 LEU B HD23 11 ATOM 15497 N N . LYS B 1 35 ? -19.456 2.093 -1.277 1.00 0.00 ? 35 LYS B N 11 ATOM 15498 C CA . LYS B 1 35 ? -20.360 2.930 -0.497 1.00 0.00 ? 35 LYS B CA 11 ATOM 15499 C C . LYS B 1 35 ? -21.431 3.549 -1.389 1.00 0.00 ? 35 LYS B C 11 ATOM 15500 O O . LYS B 1 35 ? -22.589 3.673 -0.990 1.00 0.00 ? 35 LYS B O 11 ATOM 15501 C CB . LYS B 1 35 ? -19.578 4.031 0.222 1.00 0.00 ? 35 LYS B CB 11 ATOM 15502 C CG . LYS B 1 35 ? -19.908 4.145 1.701 1.00 0.00 ? 35 LYS B CG 11 ATOM 15503 C CD . LYS B 1 35 ? -21.368 4.507 1.920 1.00 0.00 ? 35 LYS B CD 11 ATOM 15504 C CE . LYS B 1 35 ? -22.161 3.327 2.454 1.00 0.00 ? 35 LYS B CE 11 ATOM 15505 N NZ . LYS B 1 35 ? -23.626 3.505 2.255 1.00 0.00 ? 35 LYS B NZ 11 ATOM 15506 H H . LYS B 1 35 ? -18.518 2.362 -1.375 1.00 0.00 ? 35 LYS B H 11 ATOM 15507 H HA . LYS B 1 35 ? -20.841 2.302 0.238 1.00 0.00 ? 35 LYS B HA 11 ATOM 15508 H HB2 . LYS B 1 35 ? -18.522 3.827 0.125 1.00 0.00 ? 35 LYS B HB2 11 ATOM 15509 H HB3 . LYS B 1 35 ? -19.798 4.978 -0.248 1.00 0.00 ? 35 LYS B HB3 11 ATOM 15510 H HG2 . LYS B 1 35 ? -19.707 3.198 2.178 1.00 0.00 ? 35 LYS B HG2 11 ATOM 15511 H HG3 . LYS B 1 35 ? -19.286 4.910 2.140 1.00 0.00 ? 35 LYS B HG3 11 ATOM 15512 H HD2 . LYS B 1 35 ? -21.424 5.317 2.631 1.00 0.00 ? 35 LYS B HD2 11 ATOM 15513 H HD3 . LYS B 1 35 ? -21.796 4.821 0.979 1.00 0.00 ? 35 LYS B HD3 11 ATOM 15514 H HE2 . LYS B 1 35 ? -21.843 2.432 1.939 1.00 0.00 ? 35 LYS B HE2 11 ATOM 15515 H HE3 . LYS B 1 35 ? -21.960 3.222 3.510 1.00 0.00 ? 35 LYS B HE3 11 ATOM 15516 H HZ1 . LYS B 1 35 ? -23.944 4.385 2.708 1.00 0.00 ? 35 LYS B HZ1 11 ATOM 15517 H HZ2 . LYS B 1 35 ? -23.845 3.553 1.240 1.00 0.00 ? 35 LYS B HZ2 11 ATOM 15518 H HZ3 . LYS B 1 35 ? -24.144 2.706 2.673 1.00 0.00 ? 35 LYS B HZ3 11 ATOM 15519 N N . GLN B 1 36 ? -21.037 3.933 -2.599 1.00 0.00 ? 36 GLN B N 11 ATOM 15520 C CA . GLN B 1 36 ? -21.964 4.537 -3.547 1.00 0.00 ? 36 GLN B CA 11 ATOM 15521 C C . GLN B 1 36 ? -22.900 3.485 -4.134 1.00 0.00 ? 36 GLN B C 11 ATOM 15522 O O . GLN B 1 36 ? -24.008 3.798 -4.569 1.00 0.00 ? 36 GLN B O 11 ATOM 15523 C CB . GLN B 1 36 ? -21.196 5.235 -4.671 1.00 0.00 ? 36 GLN B CB 11 ATOM 15524 C CG . GLN B 1 36 ? -22.056 6.172 -5.504 1.00 0.00 ? 36 GLN B CG 11 ATOM 15525 C CD . GLN B 1 36 ? -22.658 7.295 -4.684 1.00 0.00 ? 36 GLN B CD 11 ATOM 15526 O OE1 . GLN B 1 36 ? -22.140 7.655 -3.628 1.00 0.00 ? 36 GLN B OE1 11 ATOM 15527 N NE2 . GLN B 1 36 ? -23.761 7.854 -5.168 1.00 0.00 ? 36 GLN B NE2 11 ATOM 15528 H H . GLN B 1 36 ? -20.099 3.806 -2.859 1.00 0.00 ? 36 GLN B H 11 ATOM 15529 H HA . GLN B 1 36 ? -22.553 5.268 -3.016 1.00 0.00 ? 36 GLN B HA 11 ATOM 15530 H HB2 . GLN B 1 36 ? -20.392 5.811 -4.237 1.00 0.00 ? 36 GLN B HB2 11 ATOM 15531 H HB3 . GLN B 1 36 ? -20.777 4.486 -5.326 1.00 0.00 ? 36 GLN B HB3 11 ATOM 15532 H HG2 . GLN B 1 36 ? -21.445 6.603 -6.283 1.00 0.00 ? 36 GLN B HG2 11 ATOM 15533 H HG3 . GLN B 1 36 ? -22.857 5.601 -5.951 1.00 0.00 ? 36 GLN B HG3 11 ATOM 15534 H HE21 . GLN B 1 36 ? -24.119 7.516 -6.015 1.00 0.00 ? 36 GLN B HE21 11 ATOM 15535 H HE22 . GLN B 1 36 ? -24.173 8.584 -4.658 1.00 0.00 ? 36 GLN B HE22 11 ATOM 15536 N N . SER B 1 37 ? -22.447 2.235 -4.142 1.00 0.00 ? 37 SER B N 11 ATOM 15537 C CA . SER B 1 37 ? -23.244 1.136 -4.674 1.00 0.00 ? 37 SER B CA 11 ATOM 15538 C C . SER B 1 37 ? -24.340 0.732 -3.693 1.00 0.00 ? 37 SER B C 11 ATOM 15539 O O . SER B 1 37 ? -25.445 0.369 -4.096 1.00 0.00 ? 37 SER B O 11 ATOM 15540 C CB . SER B 1 37 ? -22.351 -0.068 -4.982 1.00 0.00 ? 37 SER B CB 11 ATOM 15541 O OG . SER B 1 37 ? -23.093 -1.274 -4.952 1.00 0.00 ? 37 SER B OG 11 ATOM 15542 H H . SER B 1 37 ? -21.555 2.046 -3.781 1.00 0.00 ? 37 SER B H 11 ATOM 15543 H HA . SER B 1 37 ? -23.704 1.474 -5.590 1.00 0.00 ? 37 SER B HA 11 ATOM 15544 H HB2 . SER B 1 37 ? -21.918 0.050 -5.964 1.00 0.00 ? 37 SER B HB2 11 ATOM 15545 H HB3 . SER B 1 37 ? -21.563 -0.126 -4.245 1.00 0.00 ? 37 SER B HB3 11 ATOM 15546 H HG . SER B 1 37 ? -22.490 -2.021 -4.938 1.00 0.00 ? 37 SER B HG 11 ATOM 15547 N N . GLU B 1 38 ? -24.028 0.800 -2.403 1.00 0.00 ? 38 GLU B N 11 ATOM 15548 C CA . GLU B 1 38 ? -24.989 0.442 -1.366 1.00 0.00 ? 38 GLU B CA 11 ATOM 15549 C C . GLU B 1 38 ? -26.121 1.461 -1.301 1.00 0.00 ? 38 GLU B C 11 ATOM 15550 O O . GLU B 1 38 ? -27.230 1.145 -0.871 1.00 0.00 ? 38 GLU B O 11 ATOM 15551 C CB . GLU B 1 38 ? -24.295 0.344 -0.007 1.00 0.00 ? 38 GLU B CB 11 ATOM 15552 C CG . GLU B 1 38 ? -24.647 -0.916 0.767 1.00 0.00 ? 38 GLU B CG 11 ATOM 15553 C CD . GLU B 1 38 ? -24.657 -0.697 2.267 1.00 0.00 ? 38 GLU B CD 11 ATOM 15554 O OE1 . GLU B 1 38 ? -23.567 -0.504 2.846 1.00 0.00 ? 38 GLU B OE1 11 ATOM 15555 O OE2 . GLU B 1 38 ? -25.755 -0.716 2.862 1.00 0.00 ? 38 GLU B OE2 11 ATOM 15556 H H . GLU B 1 38 ? -23.131 1.097 -2.141 1.00 0.00 ? 38 GLU B H 11 ATOM 15557 H HA . GLU B 1 38 ? -25.404 -0.523 -1.619 1.00 0.00 ? 38 GLU B HA 11 ATOM 15558 H HB2 . GLU B 1 38 ? -23.226 0.360 -0.159 1.00 0.00 ? 38 GLU B HB2 11 ATOM 15559 H HB3 . GLU B 1 38 ? -24.577 1.198 0.591 1.00 0.00 ? 38 GLU B HB3 11 ATOM 15560 H HG2 . GLU B 1 38 ? -25.627 -1.250 0.461 1.00 0.00 ? 38 GLU B HG2 11 ATOM 15561 H HG3 . GLU B 1 38 ? -23.920 -1.681 0.535 1.00 0.00 ? 38 GLU B HG3 11 ATOM 15562 N N . ASP B 1 39 ? -25.834 2.685 -1.733 1.00 0.00 ? 39 ASP B N 11 ATOM 15563 C CA . ASP B 1 39 ? -26.829 3.751 -1.726 1.00 0.00 ? 39 ASP B CA 11 ATOM 15564 C C . ASP B 1 39 ? -27.856 3.542 -2.834 1.00 0.00 ? 39 ASP B C 11 ATOM 15565 O O . ASP B 1 39 ? -28.990 4.011 -2.738 1.00 0.00 ? 39 ASP B O 11 ATOM 15566 C CB . ASP B 1 39 ? -26.150 5.111 -1.893 1.00 0.00 ? 39 ASP B CB 11 ATOM 15567 C CG . ASP B 1 39 ? -27.111 6.266 -1.689 1.00 0.00 ? 39 ASP B CG 11 ATOM 15568 O OD1 . ASP B 1 39 ? -28.184 6.266 -2.328 1.00 0.00 ? 39 ASP B OD1 11 ATOM 15569 O OD2 . ASP B 1 39 ? -26.792 7.171 -0.889 1.00 0.00 ? 39 ASP B OD2 11 ATOM 15570 H H . ASP B 1 39 ? -24.932 2.876 -2.066 1.00 0.00 ? 39 ASP B H 11 ATOM 15571 H HA . ASP B 1 39 ? -27.334 3.726 -0.772 1.00 0.00 ? 39 ASP B HA 11 ATOM 15572 H HB2 . ASP B 1 39 ? -25.353 5.201 -1.170 1.00 0.00 ? 39 ASP B HB2 11 ATOM 15573 H HB3 . ASP B 1 39 ? -25.737 5.182 -2.889 1.00 0.00 ? 39 ASP B HB3 11 ATOM 15574 N N . ASP B 1 40 ? -27.450 2.837 -3.886 1.00 0.00 ? 40 ASP B N 11 ATOM 15575 C CA . ASP B 1 40 ? -28.335 2.566 -5.012 1.00 0.00 ? 40 ASP B CA 11 ATOM 15576 C C . ASP B 1 40 ? -28.606 3.838 -5.809 1.00 0.00 ? 40 ASP B C 11 ATOM 15577 O O . ASP B 1 40 ? -28.241 4.935 -5.390 1.00 0.00 ? 40 ASP B O 11 ATOM 15578 C CB . ASP B 1 40 ? -29.655 1.968 -4.519 1.00 0.00 ? 40 ASP B CB 11 ATOM 15579 C CG . ASP B 1 40 ? -29.444 0.824 -3.549 1.00 0.00 ? 40 ASP B CG 11 ATOM 15580 O OD1 . ASP B 1 40 ? -28.916 -0.225 -3.973 1.00 0.00 ? 40 ASP B OD1 11 ATOM 15581 O OD2 . ASP B 1 40 ? -29.806 0.976 -2.363 1.00 0.00 ? 40 ASP B OD2 11 ATOM 15582 H H . ASP B 1 40 ? -26.533 2.490 -3.904 1.00 0.00 ? 40 ASP B H 11 ATOM 15583 H HA . ASP B 1 40 ? -27.845 1.850 -5.655 1.00 0.00 ? 40 ASP B HA 11 ATOM 15584 H HB2 . ASP B 1 40 ? -30.226 2.737 -4.021 1.00 0.00 ? 40 ASP B HB2 11 ATOM 15585 H HB3 . ASP B 1 40 ? -30.214 1.600 -5.367 1.00 0.00 ? 40 ASP B HB3 11 ATOM 15586 N N . ASP B 1 41 ? -29.248 3.681 -6.963 1.00 0.00 ? 41 ASP B N 11 ATOM 15587 C CA . ASP B 1 41 ? -29.569 4.817 -7.820 1.00 0.00 ? 41 ASP B CA 11 ATOM 15588 C C . ASP B 1 41 ? -31.050 5.168 -7.727 1.00 0.00 ? 41 ASP B C 11 ATOM 15589 O O . ASP B 1 41 ? -31.367 6.371 -7.623 1.00 0.00 ? 41 ASP B O 11 ATOM 15590 C CB . ASP B 1 41 ? -29.196 4.509 -9.270 1.00 0.00 ? 41 ASP B CB 11 ATOM 15591 C CG . ASP B 1 41 ? -27.869 3.782 -9.384 1.00 0.00 ? 41 ASP B CG 11 ATOM 15592 O OD1 . ASP B 1 41 ? -26.840 4.356 -8.970 1.00 0.00 ? 41 ASP B OD1 11 ATOM 15593 O OD2 . ASP B 1 41 ? -27.861 2.639 -9.888 1.00 0.00 ? 41 ASP B OD2 11 ATOM 15594 O OXT . ASP B 1 41 ? -31.881 4.236 -7.760 1.00 0.00 ? 41 ASP B OXT 11 ATOM 15595 H H . ASP B 1 41 ? -29.514 2.781 -7.244 1.00 0.00 ? 41 ASP B H 11 ATOM 15596 H HA . ASP B 1 41 ? -28.989 5.662 -7.480 1.00 0.00 ? 41 ASP B HA 11 ATOM 15597 H HB2 . ASP B 1 41 ? -29.963 3.889 -9.709 1.00 0.00 ? 41 ASP B HB2 11 ATOM 15598 H HB3 . ASP B 1 41 ? -29.127 5.435 -9.823 1.00 0.00 ? 41 ASP B HB3 11 ATOM 15599 N N . ALA A 1 1 ? -34.698 -1.250 0.182 1.00 0.00 ? 1 ALA A N 12 ATOM 15600 C CA . ALA A 1 1 ? -34.450 0.176 0.519 1.00 0.00 ? 1 ALA A CA 12 ATOM 15601 C C . ALA A 1 1 ? -33.147 0.337 1.294 1.00 0.00 ? 1 ALA A C 12 ATOM 15602 O O . ALA A 1 1 ? -32.133 0.763 0.742 1.00 0.00 ? 1 ALA A O 12 ATOM 15603 C CB . ALA A 1 1 ? -35.614 0.738 1.321 1.00 0.00 ? 1 ALA A CB 12 ATOM 15604 H H1 . ALA A 1 1 ? -33.869 -1.602 -0.339 1.00 0.00 ? 1 ALA A H1 12 ATOM 15605 H H2 . ALA A 1 1 ? -34.826 -1.769 1.074 1.00 0.00 ? 1 ALA A H2 12 ATOM 15606 H H3 . ALA A 1 1 ? -35.556 -1.293 -0.404 1.00 0.00 ? 1 ALA A H3 12 ATOM 15607 H HA . ALA A 1 1 ? -34.378 0.735 -0.404 1.00 0.00 ? 1 ALA A HA 12 ATOM 15608 H HB1 . ALA A 1 1 ? -36.231 -0.075 1.677 1.00 0.00 ? 1 ALA A HB1 12 ATOM 15609 H HB2 . ALA A 1 1 ? -35.235 1.298 2.163 1.00 0.00 ? 1 ALA A HB2 12 ATOM 15610 H HB3 . ALA A 1 1 ? -36.204 1.388 0.693 1.00 0.00 ? 1 ALA A HB3 12 ATOM 15611 N N . LEU A 1 2 ? -33.182 -0.007 2.577 1.00 0.00 ? 2 LEU A N 12 ATOM 15612 C CA . LEU A 1 2 ? -32.003 0.099 3.429 1.00 0.00 ? 2 LEU A CA 12 ATOM 15613 C C . LEU A 1 2 ? -31.244 -1.223 3.475 1.00 0.00 ? 2 LEU A C 12 ATOM 15614 O O . LEU A 1 2 ? -31.384 -1.998 4.422 1.00 0.00 ? 2 LEU A O 12 ATOM 15615 C CB . LEU A 1 2 ? -32.407 0.518 4.844 1.00 0.00 ? 2 LEU A CB 12 ATOM 15616 C CG . LEU A 1 2 ? -32.124 1.981 5.192 1.00 0.00 ? 2 LEU A CG 12 ATOM 15617 C CD1 . LEU A 1 2 ? -33.224 2.880 4.650 1.00 0.00 ? 2 LEU A CD1 12 ATOM 15618 C CD2 . LEU A 1 2 ? -31.985 2.152 6.697 1.00 0.00 ? 2 LEU A CD2 12 ATOM 15619 H H . LEU A 1 2 ? -34.020 -0.341 2.960 1.00 0.00 ? 2 LEU A H 12 ATOM 15620 H HA . LEU A 1 2 ? -31.358 0.857 3.009 1.00 0.00 ? 2 LEU A HA 12 ATOM 15621 H HB2 . LEU A 1 2 ? -33.466 0.340 4.961 1.00 0.00 ? 2 LEU A HB2 12 ATOM 15622 H HB3 . LEU A 1 2 ? -31.874 -0.104 5.547 1.00 0.00 ? 2 LEU A HB3 12 ATOM 15623 H HG . LEU A 1 2 ? -31.193 2.279 4.732 1.00 0.00 ? 2 LEU A HG 12 ATOM 15624 H HD11 . LEU A 1 2 ? -33.740 2.375 3.847 1.00 0.00 ? 2 LEU A HD11 12 ATOM 15625 H HD12 . LEU A 1 2 ? -33.924 3.109 5.439 1.00 0.00 ? 2 LEU A HD12 12 ATOM 15626 H HD13 . LEU A 1 2 ? -32.789 3.797 4.278 1.00 0.00 ? 2 LEU A HD13 12 ATOM 15627 H HD21 . LEU A 1 2 ? -32.688 1.504 7.199 1.00 0.00 ? 2 LEU A HD21 12 ATOM 15628 H HD22 . LEU A 1 2 ? -30.980 1.896 6.997 1.00 0.00 ? 2 LEU A HD22 12 ATOM 15629 H HD23 . LEU A 1 2 ? -32.190 3.179 6.963 1.00 0.00 ? 2 LEU A HD23 12 ATOM 15630 N N . LYS A 1 3 ? -30.440 -1.474 2.447 1.00 0.00 ? 3 LYS A N 12 ATOM 15631 C CA . LYS A 1 3 ? -29.658 -2.702 2.371 1.00 0.00 ? 3 LYS A CA 12 ATOM 15632 C C . LYS A 1 3 ? -28.850 -2.913 3.647 1.00 0.00 ? 3 LYS A C 12 ATOM 15633 O O . LYS A 1 3 ? -29.092 -3.862 4.394 1.00 0.00 ? 3 LYS A O 12 ATOM 15634 C CB . LYS A 1 3 ? -28.722 -2.661 1.162 1.00 0.00 ? 3 LYS A CB 12 ATOM 15635 C CG . LYS A 1 3 ? -28.678 -3.966 0.382 1.00 0.00 ? 3 LYS A CG 12 ATOM 15636 C CD . LYS A 1 3 ? -30.070 -4.411 -0.039 1.00 0.00 ? 3 LYS A CD 12 ATOM 15637 C CE . LYS A 1 3 ? -30.122 -4.750 -1.519 1.00 0.00 ? 3 LYS A CE 12 ATOM 15638 N NZ . LYS A 1 3 ? -31.482 -4.546 -2.089 1.00 0.00 ? 3 LYS A NZ 12 ATOM 15639 H H . LYS A 1 3 ? -30.370 -0.817 1.723 1.00 0.00 ? 3 LYS A H 12 ATOM 15640 H HA . LYS A 1 3 ? -30.347 -3.526 2.254 1.00 0.00 ? 3 LYS A HA 12 ATOM 15641 H HB2 . LYS A 1 3 ? -29.049 -1.879 0.493 1.00 0.00 ? 3 LYS A HB2 12 ATOM 15642 H HB3 . LYS A 1 3 ? -27.722 -2.437 1.502 1.00 0.00 ? 3 LYS A HB3 12 ATOM 15643 H HG2 . LYS A 1 3 ? -28.074 -3.826 -0.501 1.00 0.00 ? 3 LYS A HG2 12 ATOM 15644 H HG3 . LYS A 1 3 ? -28.238 -4.731 1.005 1.00 0.00 ? 3 LYS A HG3 12 ATOM 15645 H HD2 . LYS A 1 3 ? -30.345 -5.285 0.531 1.00 0.00 ? 3 LYS A HD2 12 ATOM 15646 H HD3 . LYS A 1 3 ? -30.769 -3.611 0.163 1.00 0.00 ? 3 LYS A HD3 12 ATOM 15647 H HE2 . LYS A 1 3 ? -29.423 -4.116 -2.046 1.00 0.00 ? 3 LYS A HE2 12 ATOM 15648 H HE3 . LYS A 1 3 ? -29.838 -5.784 -1.649 1.00 0.00 ? 3 LYS A HE3 12 ATOM 15649 H HZ1 . LYS A 1 3 ? -32.172 -4.401 -1.324 1.00 0.00 ? 3 LYS A HZ1 12 ATOM 15650 H HZ2 . LYS A 1 3 ? -31.488 -3.710 -2.709 1.00 0.00 ? 3 LYS A HZ2 12 ATOM 15651 H HZ3 . LYS A 1 3 ? -31.767 -5.378 -2.644 1.00 0.00 ? 3 LYS A HZ3 12 ATOM 15652 N N . LYS A 1 4 ? -27.890 -2.017 3.888 1.00 0.00 ? 4 LYS A N 12 ATOM 15653 C CA . LYS A 1 4 ? -27.026 -2.079 5.071 1.00 0.00 ? 4 LYS A CA 12 ATOM 15654 C C . LYS A 1 4 ? -25.830 -3.001 4.837 1.00 0.00 ? 4 LYS A C 12 ATOM 15655 O O . LYS A 1 4 ? -24.690 -2.633 5.122 1.00 0.00 ? 4 LYS A O 12 ATOM 15656 C CB . LYS A 1 4 ? -27.804 -2.539 6.310 1.00 0.00 ? 4 LYS A CB 12 ATOM 15657 C CG . LYS A 1 4 ? -27.543 -1.690 7.543 1.00 0.00 ? 4 LYS A CG 12 ATOM 15658 C CD . LYS A 1 4 ? -28.543 -1.990 8.648 1.00 0.00 ? 4 LYS A CD 12 ATOM 15659 C CE . LYS A 1 4 ? -27.923 -1.810 10.024 1.00 0.00 ? 4 LYS A CE 12 ATOM 15660 N NZ . LYS A 1 4 ? -28.776 -0.972 10.912 1.00 0.00 ? 4 LYS A NZ 12 ATOM 15661 H H . LYS A 1 4 ? -27.757 -1.287 3.247 1.00 0.00 ? 4 LYS A H 12 ATOM 15662 H HA . LYS A 1 4 ? -26.653 -1.081 5.251 1.00 0.00 ? 4 LYS A HA 12 ATOM 15663 H HB2 . LYS A 1 4 ? -28.861 -2.501 6.091 1.00 0.00 ? 4 LYS A HB2 12 ATOM 15664 H HB3 . LYS A 1 4 ? -27.528 -3.558 6.535 1.00 0.00 ? 4 LYS A HB3 12 ATOM 15665 H HG2 . LYS A 1 4 ? -26.548 -1.897 7.906 1.00 0.00 ? 4 LYS A HG2 12 ATOM 15666 H HG3 . LYS A 1 4 ? -27.620 -0.647 7.273 1.00 0.00 ? 4 LYS A HG3 12 ATOM 15667 H HD2 . LYS A 1 4 ? -29.384 -1.319 8.552 1.00 0.00 ? 4 LYS A HD2 12 ATOM 15668 H HD3 . LYS A 1 4 ? -28.881 -3.011 8.546 1.00 0.00 ? 4 LYS A HD3 12 ATOM 15669 H HE2 . LYS A 1 4 ? -27.794 -2.781 10.477 1.00 0.00 ? 4 LYS A HE2 12 ATOM 15670 H HE3 . LYS A 1 4 ? -26.960 -1.335 9.911 1.00 0.00 ? 4 LYS A HE3 12 ATOM 15671 H HZ1 . LYS A 1 4 ? -29.758 -1.318 10.895 1.00 0.00 ? 4 LYS A HZ1 12 ATOM 15672 H HZ2 . LYS A 1 4 ? -28.424 -1.012 11.889 1.00 0.00 ? 4 LYS A HZ2 12 ATOM 15673 H HZ3 . LYS A 1 4 ? -28.762 0.018 10.591 1.00 0.00 ? 4 LYS A HZ3 12 ATOM 15674 N N . HIS A 1 5 ? -26.092 -4.198 4.318 1.00 0.00 ? 5 HIS A N 12 ATOM 15675 C CA . HIS A 1 5 ? -25.032 -5.163 4.049 1.00 0.00 ? 5 HIS A CA 12 ATOM 15676 C C . HIS A 1 5 ? -23.885 -4.512 3.283 1.00 0.00 ? 5 HIS A C 12 ATOM 15677 O O . HIS A 1 5 ? -22.720 -4.877 3.455 1.00 0.00 ? 5 HIS A O 12 ATOM 15678 C CB . HIS A 1 5 ? -25.582 -6.349 3.255 1.00 0.00 ? 5 HIS A CB 12 ATOM 15679 C CG . HIS A 1 5 ? -26.884 -6.871 3.783 1.00 0.00 ? 5 HIS A CG 12 ATOM 15680 N ND1 . HIS A 1 5 ? -27.396 -6.511 5.012 1.00 0.00 ? 5 HIS A ND1 12 ATOM 15681 C CD2 . HIS A 1 5 ? -27.780 -7.729 3.241 1.00 0.00 ? 5 HIS A CD2 12 ATOM 15682 C CE1 . HIS A 1 5 ? -28.550 -7.126 5.203 1.00 0.00 ? 5 HIS A CE1 12 ATOM 15683 N NE2 . HIS A 1 5 ? -28.805 -7.869 4.143 1.00 0.00 ? 5 HIS A NE2 12 ATOM 15684 H H . HIS A 1 5 ? -27.018 -4.437 4.112 1.00 0.00 ? 5 HIS A H 12 ATOM 15685 H HA . HIS A 1 5 ? -24.659 -5.520 4.998 1.00 0.00 ? 5 HIS A HA 12 ATOM 15686 H HB2 . HIS A 1 5 ? -25.738 -6.047 2.231 1.00 0.00 ? 5 HIS A HB2 12 ATOM 15687 H HB3 . HIS A 1 5 ? -24.865 -7.156 3.282 1.00 0.00 ? 5 HIS A HB3 12 ATOM 15688 H HD1 . HIS A 1 5 ? -26.977 -5.896 5.650 1.00 0.00 ? 5 HIS A HD1 12 ATOM 15689 H HD2 . HIS A 1 5 ? -27.702 -8.213 2.277 1.00 0.00 ? 5 HIS A HD2 12 ATOM 15690 H HE1 . HIS A 1 5 ? -29.178 -7.034 6.077 1.00 0.00 ? 5 HIS A HE1 12 ATOM 15691 H HE2 . HIS A 1 5 ? -29.599 -8.431 4.022 1.00 0.00 ? 5 HIS A HE2 12 ATOM 15692 N N . HIS A 1 6 ? -24.223 -3.541 2.440 1.00 0.00 ? 6 HIS A N 12 ATOM 15693 C CA . HIS A 1 6 ? -23.220 -2.836 1.655 1.00 0.00 ? 6 HIS A CA 12 ATOM 15694 C C . HIS A 1 6 ? -22.231 -2.131 2.570 1.00 0.00 ? 6 HIS A C 12 ATOM 15695 O O . HIS A 1 6 ? -21.029 -2.345 2.469 1.00 0.00 ? 6 HIS A O 12 ATOM 15696 C CB . HIS A 1 6 ? -23.884 -1.827 0.717 1.00 0.00 ? 6 HIS A CB 12 ATOM 15697 C CG . HIS A 1 6 ? -24.655 -2.464 -0.397 1.00 0.00 ? 6 HIS A CG 12 ATOM 15698 N ND1 . HIS A 1 6 ? -25.199 -3.729 -0.311 1.00 0.00 ? 6 HIS A ND1 12 ATOM 15699 C CD2 . HIS A 1 6 ? -24.974 -2.003 -1.630 1.00 0.00 ? 6 HIS A CD2 12 ATOM 15700 C CE1 . HIS A 1 6 ? -25.817 -4.019 -1.442 1.00 0.00 ? 6 HIS A CE1 12 ATOM 15701 N NE2 . HIS A 1 6 ? -25.695 -2.989 -2.258 1.00 0.00 ? 6 HIS A NE2 12 ATOM 15702 H H . HIS A 1 6 ? -25.165 -3.290 2.350 1.00 0.00 ? 6 HIS A H 12 ATOM 15703 H HA . HIS A 1 6 ? -22.685 -3.568 1.069 1.00 0.00 ? 6 HIS A HA 12 ATOM 15704 H HB2 . HIS A 1 6 ? -24.567 -1.214 1.284 1.00 0.00 ? 6 HIS A HB2 12 ATOM 15705 H HB3 . HIS A 1 6 ? -23.123 -1.198 0.279 1.00 0.00 ? 6 HIS A HB3 12 ATOM 15706 H HD1 . HIS A 1 6 ? -25.139 -4.326 0.464 1.00 0.00 ? 6 HIS A HD1 12 ATOM 15707 H HD2 . HIS A 1 6 ? -24.710 -1.040 -2.043 1.00 0.00 ? 6 HIS A HD2 12 ATOM 15708 H HE1 . HIS A 1 6 ? -26.335 -4.941 -1.660 1.00 0.00 ? 6 HIS A HE1 12 ATOM 15709 H HE2 . HIS A 1 6 ? -26.063 -2.938 -3.164 1.00 0.00 ? 6 HIS A HE2 12 ATOM 15710 N N . GLU A 1 7 ? -22.746 -1.297 3.468 1.00 0.00 ? 7 GLU A N 12 ATOM 15711 C CA . GLU A 1 7 ? -21.903 -0.572 4.408 1.00 0.00 ? 7 GLU A CA 12 ATOM 15712 C C . GLU A 1 7 ? -20.981 -1.531 5.157 1.00 0.00 ? 7 GLU A C 12 ATOM 15713 O O . GLU A 1 7 ? -19.931 -1.132 5.656 1.00 0.00 ? 7 GLU A O 12 ATOM 15714 C CB . GLU A 1 7 ? -22.765 0.206 5.404 1.00 0.00 ? 7 GLU A CB 12 ATOM 15715 C CG . GLU A 1 7 ? -21.960 1.061 6.369 1.00 0.00 ? 7 GLU A CG 12 ATOM 15716 C CD . GLU A 1 7 ? -21.561 2.395 5.771 1.00 0.00 ? 7 GLU A CD 12 ATOM 15717 O OE1 . GLU A 1 7 ? -20.908 2.398 4.707 1.00 0.00 ? 7 GLU A OE1 12 ATOM 15718 O OE2 . GLU A 1 7 ? -21.903 3.439 6.367 1.00 0.00 ? 7 GLU A OE2 12 ATOM 15719 H H . GLU A 1 7 ? -23.714 -1.171 3.502 1.00 0.00 ? 7 GLU A H 12 ATOM 15720 H HA . GLU A 1 7 ? -21.300 0.124 3.846 1.00 0.00 ? 7 GLU A HA 12 ATOM 15721 H HB2 . GLU A 1 7 ? -23.434 0.852 4.855 1.00 0.00 ? 7 GLU A HB2 12 ATOM 15722 H HB3 . GLU A 1 7 ? -23.350 -0.496 5.981 1.00 0.00 ? 7 GLU A HB3 12 ATOM 15723 H HG2 . GLU A 1 7 ? -22.554 1.242 7.252 1.00 0.00 ? 7 GLU A HG2 12 ATOM 15724 H HG3 . GLU A 1 7 ? -21.064 0.523 6.643 1.00 0.00 ? 7 GLU A HG3 12 ATOM 15725 N N . ASN A 1 8 ? -21.379 -2.801 5.230 1.00 0.00 ? 8 ASN A N 12 ATOM 15726 C CA . ASN A 1 8 ? -20.584 -3.816 5.913 1.00 0.00 ? 8 ASN A CA 12 ATOM 15727 C C . ASN A 1 8 ? -19.311 -4.114 5.129 1.00 0.00 ? 8 ASN A C 12 ATOM 15728 O O . ASN A 1 8 ? -18.202 -3.903 5.621 1.00 0.00 ? 8 ASN A O 12 ATOM 15729 C CB . ASN A 1 8 ? -21.398 -5.096 6.100 1.00 0.00 ? 8 ASN A CB 12 ATOM 15730 C CG . ASN A 1 8 ? -21.146 -5.752 7.444 1.00 0.00 ? 8 ASN A CG 12 ATOM 15731 O OD1 . ASN A 1 8 ? -20.248 -5.352 8.183 1.00 0.00 ? 8 ASN A OD1 12 ATOM 15732 N ND2 . ASN A 1 8 ? -21.941 -6.766 7.765 1.00 0.00 ? 8 ASN A ND2 12 ATOM 15733 H H . ASN A 1 8 ? -22.226 -3.062 4.813 1.00 0.00 ? 8 ASN A H 12 ATOM 15734 H HA . ASN A 1 8 ? -20.312 -3.426 6.883 1.00 0.00 ? 8 ASN A HA 12 ATOM 15735 H HB2 . ASN A 1 8 ? -22.449 -4.862 6.026 1.00 0.00 ? 8 ASN A HB2 12 ATOM 15736 H HB3 . ASN A 1 8 ? -21.136 -5.799 5.322 1.00 0.00 ? 8 ASN A HB3 12 ATOM 15737 H HD21 . ASN A 1 8 ? -22.636 -7.030 7.127 1.00 0.00 ? 8 ASN A HD21 12 ATOM 15738 H HD22 . ASN A 1 8 ? -21.800 -7.208 8.628 1.00 0.00 ? 8 ASN A HD22 12 ATOM 15739 N N . GLU A 1 9 ? -19.477 -4.589 3.896 1.00 0.00 ? 9 GLU A N 12 ATOM 15740 C CA . GLU A 1 9 ? -18.333 -4.894 3.041 1.00 0.00 ? 9 GLU A CA 12 ATOM 15741 C C . GLU A 1 9 ? -17.606 -3.609 2.627 1.00 0.00 ? 9 GLU A C 12 ATOM 15742 O O . GLU A 1 9 ? -16.502 -3.653 2.084 1.00 0.00 ? 9 GLU A O 12 ATOM 15743 C CB . GLU A 1 9 ? -18.791 -5.660 1.799 1.00 0.00 ? 9 GLU A CB 12 ATOM 15744 C CG . GLU A 1 9 ? -17.683 -5.896 0.786 1.00 0.00 ? 9 GLU A CG 12 ATOM 15745 C CD . GLU A 1 9 ? -17.644 -7.328 0.291 1.00 0.00 ? 9 GLU A CD 12 ATOM 15746 O OE1 . GLU A 1 9 ? -17.363 -8.231 1.107 1.00 0.00 ? 9 GLU A OE1 12 ATOM 15747 O OE2 . GLU A 1 9 ? -17.892 -7.547 -0.913 1.00 0.00 ? 9 GLU A OE2 12 ATOM 15748 H H . GLU A 1 9 ? -20.388 -4.722 3.549 1.00 0.00 ? 9 GLU A H 12 ATOM 15749 H HA . GLU A 1 9 ? -17.652 -5.512 3.606 1.00 0.00 ? 9 GLU A HA 12 ATOM 15750 H HB2 . GLU A 1 9 ? -19.180 -6.619 2.105 1.00 0.00 ? 9 GLU A HB2 12 ATOM 15751 H HB3 . GLU A 1 9 ? -19.578 -5.100 1.316 1.00 0.00 ? 9 GLU A HB3 12 ATOM 15752 H HG2 . GLU A 1 9 ? -17.842 -5.244 -0.060 1.00 0.00 ? 9 GLU A HG2 12 ATOM 15753 H HG3 . GLU A 1 9 ? -16.735 -5.663 1.248 1.00 0.00 ? 9 GLU A HG3 12 ATOM 15754 N N . ILE A 1 10 ? -18.238 -2.467 2.897 1.00 0.00 ? 10 ILE A N 12 ATOM 15755 C CA . ILE A 1 10 ? -17.677 -1.168 2.569 1.00 0.00 ? 10 ILE A CA 12 ATOM 15756 C C . ILE A 1 10 ? -16.766 -0.695 3.699 1.00 0.00 ? 10 ILE A C 12 ATOM 15757 O O . ILE A 1 10 ? -15.768 -0.013 3.465 1.00 0.00 ? 10 ILE A O 12 ATOM 15758 C CB . ILE A 1 10 ? -18.820 -0.150 2.313 1.00 0.00 ? 10 ILE A CB 12 ATOM 15759 C CG1 . ILE A 1 10 ? -19.500 -0.458 0.977 1.00 0.00 ? 10 ILE A CG1 12 ATOM 15760 C CG2 . ILE A 1 10 ? -18.334 1.293 2.331 1.00 0.00 ? 10 ILE A CG2 12 ATOM 15761 C CD1 . ILE A 1 10 ? -20.787 0.310 0.763 1.00 0.00 ? 10 ILE A CD1 12 ATOM 15762 H H . ILE A 1 10 ? -19.104 -2.495 3.337 1.00 0.00 ? 10 ILE A H 12 ATOM 15763 H HA . ILE A 1 10 ? -17.095 -1.270 1.665 1.00 0.00 ? 10 ILE A HA 12 ATOM 15764 H HB . ILE A 1 10 ? -19.547 -0.263 3.102 1.00 0.00 ? 10 ILE A HB 12 ATOM 15765 H HG12 . ILE A 1 10 ? -18.826 -0.203 0.173 1.00 0.00 ? 10 ILE A HG12 12 ATOM 15766 H HG13 . ILE A 1 10 ? -19.728 -1.512 0.930 1.00 0.00 ? 10 ILE A HG13 12 ATOM 15767 H HG21 . ILE A 1 10 ? -17.722 1.461 3.203 1.00 0.00 ? 10 ILE A HG21 12 ATOM 15768 H HG22 . ILE A 1 10 ? -17.760 1.492 1.440 1.00 0.00 ? 10 ILE A HG22 12 ATOM 15769 H HG23 . ILE A 1 10 ? -19.191 1.953 2.363 1.00 0.00 ? 10 ILE A HG23 12 ATOM 15770 H HD11 . ILE A 1 10 ? -20.745 1.241 1.308 1.00 0.00 ? 10 ILE A HD11 12 ATOM 15771 H HD12 . ILE A 1 10 ? -20.911 0.515 -0.290 1.00 0.00 ? 10 ILE A HD12 12 ATOM 15772 H HD13 . ILE A 1 10 ? -21.619 -0.277 1.116 1.00 0.00 ? 10 ILE A HD13 12 ATOM 15773 N N . SER A 1 11 ? -17.111 -1.081 4.922 1.00 0.00 ? 11 SER A N 12 ATOM 15774 C CA . SER A 1 11 ? -16.319 -0.718 6.086 1.00 0.00 ? 11 SER A CA 12 ATOM 15775 C C . SER A 1 11 ? -15.074 -1.589 6.151 1.00 0.00 ? 11 SER A C 12 ATOM 15776 O O . SER A 1 11 ? -14.026 -1.166 6.640 1.00 0.00 ? 11 SER A O 12 ATOM 15777 C CB . SER A 1 11 ? -17.140 -0.874 7.367 1.00 0.00 ? 11 SER A CB 12 ATOM 15778 O OG . SER A 1 11 ? -16.646 -0.038 8.397 1.00 0.00 ? 11 SER A OG 12 ATOM 15779 H H . SER A 1 11 ? -17.909 -1.637 5.041 1.00 0.00 ? 11 SER A H 12 ATOM 15780 H HA . SER A 1 11 ? -16.019 0.314 5.978 1.00 0.00 ? 11 SER A HA 12 ATOM 15781 H HB2 . SER A 1 11 ? -18.168 -0.608 7.167 1.00 0.00 ? 11 SER A HB2 12 ATOM 15782 H HB3 . SER A 1 11 ? -17.093 -1.901 7.698 1.00 0.00 ? 11 SER A HB3 12 ATOM 15783 H HG . SER A 1 11 ? -16.422 0.821 8.032 1.00 0.00 ? 11 SER A HG 12 ATOM 15784 N N . HIS A 1 12 ? -15.197 -2.810 5.637 1.00 0.00 ? 12 HIS A N 12 ATOM 15785 C CA . HIS A 1 12 ? -14.085 -3.744 5.615 1.00 0.00 ? 12 HIS A CA 12 ATOM 15786 C C . HIS A 1 12 ? -13.062 -3.301 4.567 1.00 0.00 ? 12 HIS A C 12 ATOM 15787 O O . HIS A 1 12 ? -11.870 -3.192 4.859 1.00 0.00 ? 12 HIS A O 12 ATOM 15788 C CB . HIS A 1 12 ? -14.613 -5.175 5.365 1.00 0.00 ? 12 HIS A CB 12 ATOM 15789 C CG . HIS A 1 12 ? -13.840 -5.995 4.370 1.00 0.00 ? 12 HIS A CG 12 ATOM 15790 N ND1 . HIS A 1 12 ? -12.762 -6.783 4.714 1.00 0.00 ? 12 HIS A ND1 12 ATOM 15791 C CD2 . HIS A 1 12 ? -14.002 -6.141 3.036 1.00 0.00 ? 12 HIS A CD2 12 ATOM 15792 C CE1 . HIS A 1 12 ? -12.292 -7.378 3.631 1.00 0.00 ? 12 HIS A CE1 12 ATOM 15793 N NE2 . HIS A 1 12 ? -13.027 -7.005 2.601 1.00 0.00 ? 12 HIS A NE2 12 ATOM 15794 H H . HIS A 1 12 ? -16.057 -3.083 5.251 1.00 0.00 ? 12 HIS A H 12 ATOM 15795 H HA . HIS A 1 12 ? -13.613 -3.709 6.587 1.00 0.00 ? 12 HIS A HA 12 ATOM 15796 H HB2 . HIS A 1 12 ? -14.606 -5.714 6.300 1.00 0.00 ? 12 HIS A HB2 12 ATOM 15797 H HB3 . HIS A 1 12 ? -15.634 -5.109 5.013 1.00 0.00 ? 12 HIS A HB3 12 ATOM 15798 H HD1 . HIS A 1 12 ? -12.395 -6.890 5.616 1.00 0.00 ? 12 HIS A HD1 12 ATOM 15799 H HD2 . HIS A 1 12 ? -14.757 -5.663 2.428 1.00 0.00 ? 12 HIS A HD2 12 ATOM 15800 H HE1 . HIS A 1 12 ? -11.451 -8.055 3.596 1.00 0.00 ? 12 HIS A HE1 12 ATOM 15801 H HE2 . HIS A 1 12 ? -12.897 -7.300 1.675 1.00 0.00 ? 12 HIS A HE2 12 ATOM 15802 N N . HIS A 1 13 ? -13.532 -3.030 3.350 1.00 0.00 ? 13 HIS A N 12 ATOM 15803 C CA . HIS A 1 13 ? -12.640 -2.586 2.289 1.00 0.00 ? 13 HIS A CA 12 ATOM 15804 C C . HIS A 1 13 ? -11.923 -1.312 2.710 1.00 0.00 ? 13 HIS A C 12 ATOM 15805 O O . HIS A 1 13 ? -10.755 -1.111 2.384 1.00 0.00 ? 13 HIS A O 12 ATOM 15806 C CB . HIS A 1 13 ? -13.408 -2.334 0.993 1.00 0.00 ? 13 HIS A CB 12 ATOM 15807 C CG . HIS A 1 13 ? -14.101 -3.539 0.448 1.00 0.00 ? 13 HIS A CG 12 ATOM 15808 N ND1 . HIS A 1 13 ? -13.635 -4.825 0.618 1.00 0.00 ? 13 HIS A ND1 12 ATOM 15809 C CD2 . HIS A 1 13 ? -15.231 -3.643 -0.284 1.00 0.00 ? 13 HIS A CD2 12 ATOM 15810 C CE1 . HIS A 1 13 ? -14.450 -5.670 0.011 1.00 0.00 ? 13 HIS A CE1 12 ATOM 15811 N NE2 . HIS A 1 13 ? -15.428 -4.976 -0.544 1.00 0.00 ? 13 HIS A NE2 12 ATOM 15812 H H . HIS A 1 13 ? -14.495 -3.120 3.168 1.00 0.00 ? 13 HIS A H 12 ATOM 15813 H HA . HIS A 1 13 ? -11.908 -3.361 2.122 1.00 0.00 ? 13 HIS A HA 12 ATOM 15814 H HB2 . HIS A 1 13 ? -14.154 -1.573 1.166 1.00 0.00 ? 13 HIS A HB2 12 ATOM 15815 H HB3 . HIS A 1 13 ? -12.715 -1.986 0.242 1.00 0.00 ? 13 HIS A HB3 12 ATOM 15816 H HD1 . HIS A 1 13 ? -12.826 -5.081 1.109 1.00 0.00 ? 13 HIS A HD1 12 ATOM 15817 H HD2 . HIS A 1 13 ? -15.859 -2.824 -0.607 1.00 0.00 ? 13 HIS A HD2 12 ATOM 15818 H HE1 . HIS A 1 13 ? -14.337 -6.743 -0.027 1.00 0.00 ? 13 HIS A HE1 12 ATOM 15819 H HE2 . HIS A 1 13 ? -16.171 -5.356 -1.056 1.00 0.00 ? 13 HIS A HE2 12 ATOM 15820 N N . ALA A 1 14 ? -12.631 -0.453 3.440 1.00 0.00 ? 14 ALA A N 12 ATOM 15821 C CA . ALA A 1 14 ? -12.058 0.800 3.911 1.00 0.00 ? 14 ALA A CA 12 ATOM 15822 C C . ALA A 1 14 ? -10.830 0.530 4.766 1.00 0.00 ? 14 ALA A C 12 ATOM 15823 O O . ALA A 1 14 ? -9.753 1.068 4.514 1.00 0.00 ? 14 ALA A O 12 ATOM 15824 C CB . ALA A 1 14 ? -13.091 1.596 4.695 1.00 0.00 ? 14 ALA A CB 12 ATOM 15825 H H . ALA A 1 14 ? -13.559 -0.671 3.671 1.00 0.00 ? 14 ALA A H 12 ATOM 15826 H HA . ALA A 1 14 ? -11.763 1.380 3.047 1.00 0.00 ? 14 ALA A HA 12 ATOM 15827 H HB1 . ALA A 1 14 ? -12.902 1.487 5.753 1.00 0.00 ? 14 ALA A HB1 12 ATOM 15828 H HB2 . ALA A 1 14 ? -14.079 1.228 4.465 1.00 0.00 ? 14 ALA A HB2 12 ATOM 15829 H HB3 . ALA A 1 14 ? -13.023 2.639 4.422 1.00 0.00 ? 14 ALA A HB3 12 ATOM 15830 N N . LYS A 1 15 ? -10.996 -0.324 5.769 1.00 0.00 ? 15 LYS A N 12 ATOM 15831 C CA . LYS A 1 15 ? -9.893 -0.682 6.647 1.00 0.00 ? 15 LYS A CA 12 ATOM 15832 C C . LYS A 1 15 ? -8.766 -1.328 5.846 1.00 0.00 ? 15 LYS A C 12 ATOM 15833 O O . LYS A 1 15 ? -7.614 -1.345 6.279 1.00 0.00 ? 15 LYS A O 12 ATOM 15834 C CB . LYS A 1 15 ? -10.371 -1.637 7.743 1.00 0.00 ? 15 LYS A CB 12 ATOM 15835 C CG . LYS A 1 15 ? -9.396 -1.770 8.902 1.00 0.00 ? 15 LYS A CG 12 ATOM 15836 C CD . LYS A 1 15 ? -9.836 -2.850 9.877 1.00 0.00 ? 15 LYS A CD 12 ATOM 15837 C CE . LYS A 1 15 ? -8.671 -3.736 10.288 1.00 0.00 ? 15 LYS A CE 12 ATOM 15838 N NZ . LYS A 1 15 ? -8.860 -4.307 11.650 1.00 0.00 ? 15 LYS A NZ 12 ATOM 15839 H H . LYS A 1 15 ? -11.875 -0.733 5.912 1.00 0.00 ? 15 LYS A H 12 ATOM 15840 H HA . LYS A 1 15 ? -9.523 0.223 7.104 1.00 0.00 ? 15 LYS A HA 12 ATOM 15841 H HB2 . LYS A 1 15 ? -11.312 -1.277 8.132 1.00 0.00 ? 15 LYS A HB2 12 ATOM 15842 H HB3 . LYS A 1 15 ? -10.521 -2.615 7.312 1.00 0.00 ? 15 LYS A HB3 12 ATOM 15843 H HG2 . LYS A 1 15 ? -8.423 -2.025 8.513 1.00 0.00 ? 15 LYS A HG2 12 ATOM 15844 H HG3 . LYS A 1 15 ? -9.342 -0.826 9.424 1.00 0.00 ? 15 LYS A HG3 12 ATOM 15845 H HD2 . LYS A 1 15 ? -10.246 -2.381 10.759 1.00 0.00 ? 15 LYS A HD2 12 ATOM 15846 H HD3 . LYS A 1 15 ? -10.593 -3.460 9.406 1.00 0.00 ? 15 LYS A HD3 12 ATOM 15847 H HE2 . LYS A 1 15 ? -8.583 -4.545 9.577 1.00 0.00 ? 15 LYS A HE2 12 ATOM 15848 H HE3 . LYS A 1 15 ? -7.765 -3.147 10.276 1.00 0.00 ? 15 LYS A HE3 12 ATOM 15849 H HZ1 . LYS A 1 15 ? -9.873 -4.452 11.840 1.00 0.00 ? 15 LYS A HZ1 12 ATOM 15850 H HZ2 . LYS A 1 15 ? -8.372 -5.222 11.726 1.00 0.00 ? 15 LYS A HZ2 12 ATOM 15851 H HZ3 . LYS A 1 15 ? -8.474 -3.659 12.366 1.00 0.00 ? 15 LYS A HZ3 12 ATOM 15852 N N . GLU A 1 16 ? -9.109 -1.862 4.673 1.00 0.00 ? 16 GLU A N 12 ATOM 15853 C CA . GLU A 1 16 ? -8.128 -2.509 3.811 1.00 0.00 ? 16 GLU A CA 12 ATOM 15854 C C . GLU A 1 16 ? -7.252 -1.481 3.101 1.00 0.00 ? 16 GLU A C 12 ATOM 15855 O O . GLU A 1 16 ? -6.050 -1.689 2.944 1.00 0.00 ? 16 GLU A O 12 ATOM 15856 C CB . GLU A 1 16 ? -8.831 -3.394 2.780 1.00 0.00 ? 16 GLU A CB 12 ATOM 15857 C CG . GLU A 1 16 ? -8.764 -4.877 3.106 1.00 0.00 ? 16 GLU A CG 12 ATOM 15858 C CD . GLU A 1 16 ? -7.348 -5.353 3.363 1.00 0.00 ? 16 GLU A CD 12 ATOM 15859 O OE1 . GLU A 1 16 ? -6.499 -5.207 2.459 1.00 0.00 ? 16 GLU A OE1 12 ATOM 15860 O OE2 . GLU A 1 16 ? -7.089 -5.873 4.469 1.00 0.00 ? 16 GLU A OE2 12 ATOM 15861 H H . GLU A 1 16 ? -10.044 -1.821 4.382 1.00 0.00 ? 16 GLU A H 12 ATOM 15862 H HA . GLU A 1 16 ? -7.500 -3.127 4.434 1.00 0.00 ? 16 GLU A HA 12 ATOM 15863 H HB2 . GLU A 1 16 ? -9.871 -3.106 2.724 1.00 0.00 ? 16 GLU A HB2 12 ATOM 15864 H HB3 . GLU A 1 16 ? -8.371 -3.238 1.815 1.00 0.00 ? 16 GLU A HB3 12 ATOM 15865 H HG2 . GLU A 1 16 ? -9.357 -5.067 3.988 1.00 0.00 ? 16 GLU A HG2 12 ATOM 15866 H HG3 . GLU A 1 16 ? -9.170 -5.433 2.274 1.00 0.00 ? 16 GLU A HG3 12 ATOM 15867 N N . ILE A 1 17 ? -7.853 -0.372 2.671 1.00 0.00 ? 17 ILE A N 12 ATOM 15868 C CA . ILE A 1 17 ? -7.107 0.674 1.980 1.00 0.00 ? 17 ILE A CA 12 ATOM 15869 C C . ILE A 1 17 ? -6.162 1.399 2.941 1.00 0.00 ? 17 ILE A C 12 ATOM 15870 O O . ILE A 1 17 ? -5.064 1.810 2.561 1.00 0.00 ? 17 ILE A O 12 ATOM 15871 C CB . ILE A 1 17 ? -8.061 1.684 1.287 1.00 0.00 ? 17 ILE A CB 12 ATOM 15872 C CG1 . ILE A 1 17 ? -8.588 2.743 2.265 1.00 0.00 ? 17 ILE A CG1 12 ATOM 15873 C CG2 . ILE A 1 17 ? -9.226 0.943 0.650 1.00 0.00 ? 17 ILE A CG2 12 ATOM 15874 C CD1 . ILE A 1 17 ? -7.829 4.050 2.207 1.00 0.00 ? 17 ILE A CD1 12 ATOM 15875 H H . ILE A 1 17 ? -8.818 -0.256 2.818 1.00 0.00 ? 17 ILE A H 12 ATOM 15876 H HA . ILE A 1 17 ? -6.510 0.199 1.214 1.00 0.00 ? 17 ILE A HA 12 ATOM 15877 H HB . ILE A 1 17 ? -7.512 2.173 0.496 1.00 0.00 ? 17 ILE A HB 12 ATOM 15878 H HG12 . ILE A 1 17 ? -9.623 2.951 2.038 1.00 0.00 ? 17 ILE A HG12 12 ATOM 15879 H HG13 . ILE A 1 17 ? -8.517 2.362 3.272 1.00 0.00 ? 17 ILE A HG13 12 ATOM 15880 H HG21 . ILE A 1 17 ? -9.073 -0.122 0.748 1.00 0.00 ? 17 ILE A HG21 12 ATOM 15881 H HG22 . ILE A 1 17 ? -10.144 1.222 1.146 1.00 0.00 ? 17 ILE A HG22 12 ATOM 15882 H HG23 . ILE A 1 17 ? -9.288 1.204 -0.394 1.00 0.00 ? 17 ILE A HG23 12 ATOM 15883 H HD11 . ILE A 1 17 ? -7.584 4.279 1.180 1.00 0.00 ? 17 ILE A HD11 12 ATOM 15884 H HD12 . ILE A 1 17 ? -8.440 4.840 2.616 1.00 0.00 ? 17 ILE A HD12 12 ATOM 15885 H HD13 . ILE A 1 17 ? -6.919 3.964 2.782 1.00 0.00 ? 17 ILE A HD13 12 ATOM 15886 N N . GLU A 1 18 ? -6.596 1.546 4.190 1.00 0.00 ? 18 GLU A N 12 ATOM 15887 C CA . GLU A 1 18 ? -5.791 2.215 5.205 1.00 0.00 ? 18 GLU A CA 12 ATOM 15888 C C . GLU A 1 18 ? -4.631 1.329 5.648 1.00 0.00 ? 18 GLU A C 12 ATOM 15889 O O . GLU A 1 18 ? -3.511 1.804 5.835 1.00 0.00 ? 18 GLU A O 12 ATOM 15890 C CB . GLU A 1 18 ? -6.657 2.583 6.412 1.00 0.00 ? 18 GLU A CB 12 ATOM 15891 C CG . GLU A 1 18 ? -6.227 3.868 7.099 1.00 0.00 ? 18 GLU A CG 12 ATOM 15892 C CD . GLU A 1 18 ? -6.638 3.917 8.557 1.00 0.00 ? 18 GLU A CD 12 ATOM 15893 O OE1 . GLU A 1 18 ? -7.581 3.188 8.932 1.00 0.00 ? 18 GLU A OE1 12 ATOM 15894 O OE2 . GLU A 1 18 ? -6.019 4.684 9.323 1.00 0.00 ? 18 GLU A OE2 12 ATOM 15895 H H . GLU A 1 18 ? -7.478 1.193 4.434 1.00 0.00 ? 18 GLU A H 12 ATOM 15896 H HA . GLU A 1 18 ? -5.393 3.118 4.770 1.00 0.00 ? 18 GLU A HA 12 ATOM 15897 H HB2 . GLU A 1 18 ? -7.679 2.699 6.085 1.00 0.00 ? 18 GLU A HB2 12 ATOM 15898 H HB3 . GLU A 1 18 ? -6.609 1.780 7.134 1.00 0.00 ? 18 GLU A HB3 12 ATOM 15899 H HG2 . GLU A 1 18 ? -5.152 3.950 7.041 1.00 0.00 ? 18 GLU A HG2 12 ATOM 15900 H HG3 . GLU A 1 18 ? -6.678 4.705 6.585 1.00 0.00 ? 18 GLU A HG3 12 ATOM 15901 N N . ARG A 1 19 ? -4.907 0.039 5.811 1.00 0.00 ? 19 ARG A N 12 ATOM 15902 C CA . ARG A 1 19 ? -3.883 -0.912 6.227 1.00 0.00 ? 19 ARG A CA 12 ATOM 15903 C C . ARG A 1 19 ? -2.856 -1.111 5.120 1.00 0.00 ? 19 ARG A C 12 ATOM 15904 O O . ARG A 1 19 ? -1.680 -1.366 5.386 1.00 0.00 ? 19 ARG A O 12 ATOM 15905 C CB . ARG A 1 19 ? -4.521 -2.253 6.595 1.00 0.00 ? 19 ARG A CB 12 ATOM 15906 C CG . ARG A 1 19 ? -4.877 -2.373 8.068 1.00 0.00 ? 19 ARG A CG 12 ATOM 15907 C CD . ARG A 1 19 ? -5.066 -3.824 8.480 1.00 0.00 ? 19 ARG A CD 12 ATOM 15908 N NE . ARG A 1 19 ? -4.526 -4.091 9.809 1.00 0.00 ? 19 ARG A NE 12 ATOM 15909 C CZ . ARG A 1 19 ? -4.838 -5.163 10.529 1.00 0.00 ? 19 ARG A CZ 12 ATOM 15910 N NH1 . ARG A 1 19 ? -5.685 -6.064 10.049 1.00 0.00 ? 19 ARG A NH1 12 ATOM 15911 N NH2 . ARG A 1 19 ? -4.306 -5.336 11.731 1.00 0.00 ? 19 ARG A NH2 12 ATOM 15912 H H . ARG A 1 19 ? -5.818 -0.282 5.643 1.00 0.00 ? 19 ARG A H 12 ATOM 15913 H HA . ARG A 1 19 ? -3.387 -0.507 7.095 1.00 0.00 ? 19 ARG A HA 12 ATOM 15914 H HB2 . ARG A 1 19 ? -5.424 -2.381 6.017 1.00 0.00 ? 19 ARG A HB2 12 ATOM 15915 H HB3 . ARG A 1 19 ? -3.831 -3.046 6.349 1.00 0.00 ? 19 ARG A HB3 12 ATOM 15916 H HG2 . ARG A 1 19 ? -4.082 -1.943 8.657 1.00 0.00 ? 19 ARG A HG2 12 ATOM 15917 H HG3 . ARG A 1 19 ? -5.795 -1.833 8.251 1.00 0.00 ? 19 ARG A HG3 12 ATOM 15918 H HD2 . ARG A 1 19 ? -6.122 -4.051 8.479 1.00 0.00 ? 19 ARG A HD2 12 ATOM 15919 H HD3 . ARG A 1 19 ? -4.562 -4.456 7.763 1.00 0.00 ? 19 ARG A HD3 12 ATOM 15920 H HE . ARG A 1 19 ? -3.899 -3.438 10.185 1.00 0.00 ? 19 ARG A HE 12 ATOM 15921 H HH11 . ARG A 1 19 ? -6.089 -5.937 9.142 1.00 0.00 ? 19 ARG A HH11 12 ATOM 15922 H HH12 . ARG A 1 19 ? -5.919 -6.870 10.592 1.00 0.00 ? 19 ARG A HH12 12 ATOM 15923 H HH21 . ARG A 1 19 ? -3.667 -4.659 12.097 1.00 0.00 ? 19 ARG A HH21 12 ATOM 15924 H HH22 . ARG A 1 19 ? -4.542 -6.142 12.273 1.00 0.00 ? 19 ARG A HH22 12 ATOM 15925 N N . LEU A 1 20 ? -3.305 -0.982 3.876 1.00 0.00 ? 20 LEU A N 12 ATOM 15926 C CA . LEU A 1 20 ? -2.425 -1.138 2.729 1.00 0.00 ? 20 LEU A CA 12 ATOM 15927 C C . LEU A 1 20 ? -1.440 0.022 2.656 1.00 0.00 ? 20 LEU A C 12 ATOM 15928 O O . LEU A 1 20 ? -0.263 -0.167 2.352 1.00 0.00 ? 20 LEU A O 12 ATOM 15929 C CB . LEU A 1 20 ? -3.247 -1.219 1.440 1.00 0.00 ? 20 LEU A CB 12 ATOM 15930 C CG . LEU A 1 20 ? -2.912 -2.403 0.531 1.00 0.00 ? 20 LEU A CG 12 ATOM 15931 C CD1 . LEU A 1 20 ? -1.407 -2.557 0.385 1.00 0.00 ? 20 LEU A CD1 12 ATOM 15932 C CD2 . LEU A 1 20 ? -3.531 -3.682 1.074 1.00 0.00 ? 20 LEU A CD2 12 ATOM 15933 H H . LEU A 1 20 ? -4.250 -0.769 3.728 1.00 0.00 ? 20 LEU A H 12 ATOM 15934 H HA . LEU A 1 20 ? -1.874 -2.058 2.855 1.00 0.00 ? 20 LEU A HA 12 ATOM 15935 H HB2 . LEU A 1 20 ? -4.291 -1.282 1.709 1.00 0.00 ? 20 LEU A HB2 12 ATOM 15936 H HB3 . LEU A 1 20 ? -3.091 -0.310 0.882 1.00 0.00 ? 20 LEU A HB3 12 ATOM 15937 H HG . LEU A 1 20 ? -3.325 -2.222 -0.451 1.00 0.00 ? 20 LEU A HG 12 ATOM 15938 H HD11 . LEU A 1 20 ? -0.911 -1.727 0.866 1.00 0.00 ? 20 LEU A HD11 12 ATOM 15939 H HD12 . LEU A 1 20 ? -1.093 -3.481 0.848 1.00 0.00 ? 20 LEU A HD12 12 ATOM 15940 H HD13 . LEU A 1 20 ? -1.145 -2.573 -0.662 1.00 0.00 ? 20 LEU A HD13 12 ATOM 15941 H HD21 . LEU A 1 20 ? -3.663 -3.591 2.143 1.00 0.00 ? 20 LEU A HD21 12 ATOM 15942 H HD22 . LEU A 1 20 ? -4.489 -3.846 0.606 1.00 0.00 ? 20 LEU A HD22 12 ATOM 15943 H HD23 . LEU A 1 20 ? -2.879 -4.516 0.862 1.00 0.00 ? 20 LEU A HD23 12 ATOM 15944 N N . GLN A 1 21 ? -1.929 1.223 2.950 1.00 0.00 ? 21 GLN A N 12 ATOM 15945 C CA . GLN A 1 21 ? -1.090 2.414 2.930 1.00 0.00 ? 21 GLN A CA 12 ATOM 15946 C C . GLN A 1 21 ? 0.035 2.292 3.954 1.00 0.00 ? 21 GLN A C 12 ATOM 15947 O O . GLN A 1 21 ? 1.197 2.565 3.652 1.00 0.00 ? 21 GLN A O 12 ATOM 15948 C CB . GLN A 1 21 ? -1.927 3.661 3.221 1.00 0.00 ? 21 GLN A CB 12 ATOM 15949 C CG . GLN A 1 21 ? -1.102 4.931 3.350 1.00 0.00 ? 21 GLN A CG 12 ATOM 15950 C CD . GLN A 1 21 ? -0.648 5.470 2.007 1.00 0.00 ? 21 GLN A CD 12 ATOM 15951 O OE1 . GLN A 1 21 ? 0.486 5.246 1.587 1.00 0.00 ? 21 GLN A OE1 12 ATOM 15952 N NE2 . GLN A 1 21 ? -1.535 6.186 1.326 1.00 0.00 ? 21 GLN A NE2 12 ATOM 15953 H H . GLN A 1 21 ? -2.876 1.309 3.192 1.00 0.00 ? 21 GLN A H 12 ATOM 15954 H HA . GLN A 1 21 ? -0.657 2.501 1.945 1.00 0.00 ? 21 GLN A HA 12 ATOM 15955 H HB2 . GLN A 1 21 ? -2.637 3.798 2.419 1.00 0.00 ? 21 GLN A HB2 12 ATOM 15956 H HB3 . GLN A 1 21 ? -2.466 3.512 4.145 1.00 0.00 ? 21 GLN A HB3 12 ATOM 15957 H HG2 . GLN A 1 21 ? -1.700 5.685 3.839 1.00 0.00 ? 21 GLN A HG2 12 ATOM 15958 H HG3 . GLN A 1 21 ? -0.229 4.718 3.949 1.00 0.00 ? 21 GLN A HG3 12 ATOM 15959 H HE21 . GLN A 1 21 ? -2.421 6.324 1.723 1.00 0.00 ? 21 GLN A HE21 12 ATOM 15960 H HE22 . GLN A 1 21 ? -1.269 6.547 0.455 1.00 0.00 ? 21 GLN A HE22 12 ATOM 15961 N N . LYS A 1 22 ? -0.318 1.875 5.165 1.00 0.00 ? 22 LYS A N 12 ATOM 15962 C CA . LYS A 1 22 ? 0.662 1.711 6.231 1.00 0.00 ? 22 LYS A CA 12 ATOM 15963 C C . LYS A 1 22 ? 1.713 0.677 5.842 1.00 0.00 ? 22 LYS A C 12 ATOM 15964 O O . LYS A 1 22 ? 2.882 0.796 6.210 1.00 0.00 ? 22 LYS A O 12 ATOM 15965 C CB . LYS A 1 22 ? -0.030 1.290 7.530 1.00 0.00 ? 22 LYS A CB 12 ATOM 15966 C CG . LYS A 1 22 ? -0.511 2.461 8.370 1.00 0.00 ? 22 LYS A CG 12 ATOM 15967 C CD . LYS A 1 22 ? -1.813 2.134 9.085 1.00 0.00 ? 22 LYS A CD 12 ATOM 15968 C CE . LYS A 1 22 ? -1.656 0.935 10.007 1.00 0.00 ? 22 LYS A CE 12 ATOM 15969 N NZ . LYS A 1 22 ? -2.274 1.176 11.339 1.00 0.00 ? 22 LYS A NZ 12 ATOM 15970 H H . LYS A 1 22 ? -1.260 1.668 5.344 1.00 0.00 ? 22 LYS A H 12 ATOM 15971 H HA . LYS A 1 22 ? 1.148 2.662 6.384 1.00 0.00 ? 22 LYS A HA 12 ATOM 15972 H HB2 . LYS A 1 22 ? -0.882 0.674 7.286 1.00 0.00 ? 22 LYS A HB2 12 ATOM 15973 H HB3 . LYS A 1 22 ? 0.664 0.710 8.121 1.00 0.00 ? 22 LYS A HB3 12 ATOM 15974 H HG2 . LYS A 1 22 ? 0.242 2.697 9.105 1.00 0.00 ? 22 LYS A HG2 12 ATOM 15975 H HG3 . LYS A 1 22 ? -0.669 3.313 7.725 1.00 0.00 ? 22 LYS A HG3 12 ATOM 15976 H HD2 . LYS A 1 22 ? -2.113 2.990 9.672 1.00 0.00 ? 22 LYS A HD2 12 ATOM 15977 H HD3 . LYS A 1 22 ? -2.572 1.916 8.349 1.00 0.00 ? 22 LYS A HD3 12 ATOM 15978 H HE2 . LYS A 1 22 ? -2.132 0.081 9.548 1.00 0.00 ? 22 LYS A HE2 12 ATOM 15979 H HE3 . LYS A 1 22 ? -0.603 0.733 10.138 1.00 0.00 ? 22 LYS A HE3 12 ATOM 15980 H HZ1 . LYS A 1 22 ? -1.840 2.005 11.792 1.00 0.00 ? 22 LYS A HZ1 12 ATOM 15981 H HZ2 . LYS A 1 22 ? -3.295 1.347 11.235 1.00 0.00 ? 22 LYS A HZ2 12 ATOM 15982 H HZ3 . LYS A 1 22 ? -2.133 0.347 11.953 1.00 0.00 ? 22 LYS A HZ3 12 ATOM 15983 N N . GLU A 1 23 ? 1.288 -0.338 5.096 1.00 0.00 ? 23 GLU A N 12 ATOM 15984 C CA . GLU A 1 23 ? 2.191 -1.394 4.655 1.00 0.00 ? 23 GLU A CA 12 ATOM 15985 C C . GLU A 1 23 ? 3.228 -0.853 3.674 1.00 0.00 ? 23 GLU A C 12 ATOM 15986 O O . GLU A 1 23 ? 4.399 -1.235 3.720 1.00 0.00 ? 23 GLU A O 12 ATOM 15987 C CB . GLU A 1 23 ? 1.401 -2.530 4.002 1.00 0.00 ? 23 GLU A CB 12 ATOM 15988 C CG . GLU A 1 23 ? 1.744 -3.904 4.553 1.00 0.00 ? 23 GLU A CG 12 ATOM 15989 C CD . GLU A 1 23 ? 0.566 -4.858 4.513 1.00 0.00 ? 23 GLU A CD 12 ATOM 15990 O OE1 . GLU A 1 23 ? -0.518 -4.445 4.050 1.00 0.00 ? 23 GLU A OE1 12 ATOM 15991 O OE2 . GLU A 1 23 ? 0.728 -6.019 4.946 1.00 0.00 ? 23 GLU A OE2 12 ATOM 15992 H H . GLU A 1 23 ? 0.344 -0.377 4.834 1.00 0.00 ? 23 GLU A H 12 ATOM 15993 H HA . GLU A 1 23 ? 2.702 -1.777 5.525 1.00 0.00 ? 23 GLU A HA 12 ATOM 15994 H HB2 . GLU A 1 23 ? 0.347 -2.355 4.160 1.00 0.00 ? 23 GLU A HB2 12 ATOM 15995 H HB3 . GLU A 1 23 ? 1.602 -2.530 2.942 1.00 0.00 ? 23 GLU A HB3 12 ATOM 15996 H HG2 . GLU A 1 23 ? 2.547 -4.323 3.965 1.00 0.00 ? 23 GLU A HG2 12 ATOM 15997 H HG3 . GLU A 1 23 ? 2.067 -3.796 5.578 1.00 0.00 ? 23 GLU A HG3 12 ATOM 15998 N N . ILE A 1 24 ? 2.795 0.039 2.788 1.00 0.00 ? 24 ILE A N 12 ATOM 15999 C CA . ILE A 1 24 ? 3.700 0.625 1.804 1.00 0.00 ? 24 ILE A CA 12 ATOM 16000 C C . ILE A 1 24 ? 4.805 1.414 2.507 1.00 0.00 ? 24 ILE A C 12 ATOM 16001 O O . ILE A 1 24 ? 5.971 1.358 2.116 1.00 0.00 ? 24 ILE A O 12 ATOM 16002 C CB . ILE A 1 24 ? 2.949 1.519 0.762 1.00 0.00 ? 24 ILE A CB 12 ATOM 16003 C CG1 . ILE A 1 24 ? 2.902 2.998 1.179 1.00 0.00 ? 24 ILE A CG1 12 ATOM 16004 C CG2 . ILE A 1 24 ? 1.536 1.004 0.529 1.00 0.00 ? 24 ILE A CG2 12 ATOM 16005 C CD1 . ILE A 1 24 ? 4.149 3.762 0.794 1.00 0.00 ? 24 ILE A CD1 12 ATOM 16006 H H . ILE A 1 24 ? 1.854 0.309 2.803 1.00 0.00 ? 24 ILE A H 12 ATOM 16007 H HA . ILE A 1 24 ? 4.160 -0.193 1.265 1.00 0.00 ? 24 ILE A HA 12 ATOM 16008 H HB . ILE A 1 24 ? 3.480 1.441 -0.176 1.00 0.00 ? 24 ILE A HB 12 ATOM 16009 H HG12 . ILE A 1 24 ? 2.059 3.474 0.701 1.00 0.00 ? 24 ILE A HG12 12 ATOM 16010 H HG13 . ILE A 1 24 ? 2.789 3.062 2.249 1.00 0.00 ? 24 ILE A HG13 12 ATOM 16011 H HG21 . ILE A 1 24 ? 1.447 0.002 0.922 1.00 0.00 ? 24 ILE A HG21 12 ATOM 16012 H HG22 . ILE A 1 24 ? 0.831 1.650 1.028 1.00 0.00 ? 24 ILE A HG22 12 ATOM 16013 H HG23 . ILE A 1 24 ? 1.328 0.994 -0.528 1.00 0.00 ? 24 ILE A HG23 12 ATOM 16014 H HD11 . ILE A 1 24 ? 4.844 3.094 0.302 1.00 0.00 ? 24 ILE A HD11 12 ATOM 16015 H HD12 . ILE A 1 24 ? 3.887 4.565 0.121 1.00 0.00 ? 24 ILE A HD12 12 ATOM 16016 H HD13 . ILE A 1 24 ? 4.610 4.171 1.680 1.00 0.00 ? 24 ILE A HD13 12 ATOM 16017 N N . GLU A 1 25 ? 4.422 2.141 3.554 1.00 0.00 ? 25 GLU A N 12 ATOM 16018 C CA . GLU A 1 25 ? 5.371 2.935 4.323 1.00 0.00 ? 25 GLU A CA 12 ATOM 16019 C C . GLU A 1 25 ? 6.422 2.035 4.959 1.00 0.00 ? 25 GLU A C 12 ATOM 16020 O O . GLU A 1 25 ? 7.609 2.365 4.980 1.00 0.00 ? 25 GLU A O 12 ATOM 16021 C CB . GLU A 1 25 ? 4.644 3.736 5.405 1.00 0.00 ? 25 GLU A CB 12 ATOM 16022 C CG . GLU A 1 25 ? 5.490 4.840 6.016 1.00 0.00 ? 25 GLU A CG 12 ATOM 16023 C CD . GLU A 1 25 ? 5.422 6.133 5.225 1.00 0.00 ? 25 GLU A CD 12 ATOM 16024 O OE1 . GLU A 1 25 ? 4.523 6.257 4.367 1.00 0.00 ? 25 GLU A OE1 12 ATOM 16025 O OE2 . GLU A 1 25 ? 6.267 7.020 5.464 1.00 0.00 ? 25 GLU A OE2 12 ATOM 16026 H H . GLU A 1 25 ? 3.477 2.138 3.819 1.00 0.00 ? 25 GLU A H 12 ATOM 16027 H HA . GLU A 1 25 ? 5.860 3.619 3.645 1.00 0.00 ? 25 GLU A HA 12 ATOM 16028 H HB2 . GLU A 1 25 ? 3.763 4.185 4.972 1.00 0.00 ? 25 GLU A HB2 12 ATOM 16029 H HB3 . GLU A 1 25 ? 4.344 3.062 6.194 1.00 0.00 ? 25 GLU A HB3 12 ATOM 16030 H HG2 . GLU A 1 25 ? 5.139 5.032 7.019 1.00 0.00 ? 25 GLU A HG2 12 ATOM 16031 H HG3 . GLU A 1 25 ? 6.518 4.511 6.052 1.00 0.00 ? 25 GLU A HG3 12 ATOM 16032 N N . ARG A 1 26 ? 5.981 0.890 5.469 1.00 0.00 ? 26 ARG A N 12 ATOM 16033 C CA . ARG A 1 26 ? 6.886 -0.064 6.096 1.00 0.00 ? 26 ARG A CA 12 ATOM 16034 C C . ARG A 1 26 ? 7.991 -0.456 5.124 1.00 0.00 ? 26 ARG A C 12 ATOM 16035 O O . ARG A 1 26 ? 9.165 -0.524 5.492 1.00 0.00 ? 26 ARG A O 12 ATOM 16036 C CB . ARG A 1 26 ? 6.120 -1.308 6.550 1.00 0.00 ? 26 ARG A CB 12 ATOM 16037 C CG . ARG A 1 26 ? 5.797 -1.315 8.035 1.00 0.00 ? 26 ARG A CG 12 ATOM 16038 C CD . ARG A 1 26 ? 5.913 -2.711 8.624 1.00 0.00 ? 26 ARG A CD 12 ATOM 16039 N NE . ARG A 1 26 ? 4.656 -3.165 9.210 1.00 0.00 ? 26 ARG A NE 12 ATOM 16040 C CZ . ARG A 1 26 ? 4.418 -4.425 9.557 1.00 0.00 ? 26 ARG A CZ 12 ATOM 16041 N NH1 . ARG A 1 26 ? 5.349 -5.352 9.377 1.00 0.00 ? 26 ARG A NH1 12 ATOM 16042 N NH2 . ARG A 1 26 ? 3.249 -4.761 10.085 1.00 0.00 ? 26 ARG A NH2 12 ATOM 16043 H H . ARG A 1 26 ? 5.024 0.679 5.416 1.00 0.00 ? 26 ARG A H 12 ATOM 16044 H HA . ARG A 1 26 ? 7.330 0.413 6.956 1.00 0.00 ? 26 ARG A HA 12 ATOM 16045 H HB2 . ARG A 1 26 ? 5.192 -1.366 6.000 1.00 0.00 ? 26 ARG A HB2 12 ATOM 16046 H HB3 . ARG A 1 26 ? 6.714 -2.182 6.329 1.00 0.00 ? 26 ARG A HB3 12 ATOM 16047 H HG2 . ARG A 1 26 ? 6.486 -0.660 8.547 1.00 0.00 ? 26 ARG A HG2 12 ATOM 16048 H HG3 . ARG A 1 26 ? 4.786 -0.958 8.174 1.00 0.00 ? 26 ARG A HG3 12 ATOM 16049 H HD2 . ARG A 1 26 ? 6.201 -3.396 7.841 1.00 0.00 ? 26 ARG A HD2 12 ATOM 16050 H HD3 . ARG A 1 26 ? 6.675 -2.701 9.391 1.00 0.00 ? 26 ARG A HD3 12 ATOM 16051 H HE . ARG A 1 26 ? 3.954 -2.496 9.353 1.00 0.00 ? 26 ARG A HE 12 ATOM 16052 H HH11 . ARG A 1 26 ? 6.233 -5.103 8.979 1.00 0.00 ? 26 ARG A HH11 12 ATOM 16053 H HH12 . ARG A 1 26 ? 5.169 -6.300 9.638 1.00 0.00 ? 26 ARG A HH12 12 ATOM 16054 H HH21 . ARG A 1 26 ? 2.545 -4.065 10.223 1.00 0.00 ? 26 ARG A HH21 12 ATOM 16055 H HH22 . ARG A 1 26 ? 3.072 -5.709 10.345 1.00 0.00 ? 26 ARG A HH22 12 ATOM 16056 N N . HIS A 1 27 ? 7.608 -0.700 3.874 1.00 0.00 ? 27 HIS A N 12 ATOM 16057 C CA . HIS A 1 27 ? 8.569 -1.071 2.846 1.00 0.00 ? 27 HIS A CA 12 ATOM 16058 C C . HIS A 1 27 ? 9.495 0.101 2.545 1.00 0.00 ? 27 HIS A C 12 ATOM 16059 O O . HIS A 1 27 ? 10.643 -0.087 2.145 1.00 0.00 ? 27 HIS A O 12 ATOM 16060 C CB . HIS A 1 27 ? 7.843 -1.507 1.572 1.00 0.00 ? 27 HIS A CB 12 ATOM 16061 C CG . HIS A 1 27 ? 8.212 -2.885 1.116 1.00 0.00 ? 27 HIS A CG 12 ATOM 16062 N ND1 . HIS A 1 27 ? 9.290 -3.143 0.293 1.00 0.00 ? 27 HIS A ND1 12 ATOM 16063 C CD2 . HIS A 1 27 ? 7.642 -4.086 1.373 1.00 0.00 ? 27 HIS A CD2 12 ATOM 16064 C CE1 . HIS A 1 27 ? 9.364 -4.443 0.064 1.00 0.00 ? 27 HIS A CE1 12 ATOM 16065 N NE2 . HIS A 1 27 ? 8.377 -5.036 0.708 1.00 0.00 ? 27 HIS A NE2 12 ATOM 16066 H H . HIS A 1 27 ? 6.659 -0.619 3.636 1.00 0.00 ? 27 HIS A H 12 ATOM 16067 H HA . HIS A 1 27 ? 9.156 -1.895 3.220 1.00 0.00 ? 27 HIS A HA 12 ATOM 16068 H HB2 . HIS A 1 27 ? 6.778 -1.491 1.748 1.00 0.00 ? 27 HIS A HB2 12 ATOM 16069 H HB3 . HIS A 1 27 ? 8.082 -0.818 0.776 1.00 0.00 ? 27 HIS A HB3 12 ATOM 16070 H HD1 . HIS A 1 27 ? 9.907 -2.474 -0.069 1.00 0.00 ? 27 HIS A HD1 12 ATOM 16071 H HD2 . HIS A 1 27 ? 6.770 -4.264 1.988 1.00 0.00 ? 27 HIS A HD2 12 ATOM 16072 H HE1 . HIS A 1 27 ? 10.108 -4.935 -0.546 1.00 0.00 ? 27 HIS A HE1 12 ATOM 16073 H HE2 . HIS A 1 27 ? 8.200 -5.999 0.709 1.00 0.00 ? 27 HIS A HE2 12 ATOM 16074 N N . LYS A 1 28 ? 8.984 1.312 2.750 1.00 0.00 ? 28 LYS A N 12 ATOM 16075 C CA . LYS A 1 28 ? 9.760 2.524 2.510 1.00 0.00 ? 28 LYS A CA 12 ATOM 16076 C C . LYS A 1 28 ? 10.808 2.717 3.600 1.00 0.00 ? 28 LYS A C 12 ATOM 16077 O O . LYS A 1 28 ? 11.837 3.353 3.380 1.00 0.00 ? 28 LYS A O 12 ATOM 16078 C CB . LYS A 1 28 ? 8.837 3.743 2.451 1.00 0.00 ? 28 LYS A CB 12 ATOM 16079 C CG . LYS A 1 28 ? 9.436 4.924 1.707 1.00 0.00 ? 28 LYS A CG 12 ATOM 16080 C CD . LYS A 1 28 ? 9.802 6.053 2.656 1.00 0.00 ? 28 LYS A CD 12 ATOM 16081 C CE . LYS A 1 28 ? 8.582 6.877 3.036 1.00 0.00 ? 28 LYS A CE 12 ATOM 16082 N NZ . LYS A 1 28 ? 8.949 8.074 3.842 1.00 0.00 ? 28 LYS A NZ 12 ATOM 16083 H H . LYS A 1 28 ? 8.063 1.393 3.074 1.00 0.00 ? 28 LYS A H 12 ATOM 16084 H HA . LYS A 1 28 ? 10.260 2.416 1.561 1.00 0.00 ? 28 LYS A HA 12 ATOM 16085 H HB2 . LYS A 1 28 ? 7.919 3.461 1.957 1.00 0.00 ? 28 LYS A HB2 12 ATOM 16086 H HB3 . LYS A 1 28 ? 8.611 4.057 3.459 1.00 0.00 ? 28 LYS A HB3 12 ATOM 16087 H HG2 . LYS A 1 28 ? 10.328 4.598 1.192 1.00 0.00 ? 28 LYS A HG2 12 ATOM 16088 H HG3 . LYS A 1 28 ? 8.716 5.287 0.988 1.00 0.00 ? 28 LYS A HG3 12 ATOM 16089 H HD2 . LYS A 1 28 ? 10.232 5.633 3.552 1.00 0.00 ? 28 LYS A HD2 12 ATOM 16090 H HD3 . LYS A 1 28 ? 10.523 6.696 2.174 1.00 0.00 ? 28 LYS A HD3 12 ATOM 16091 H HE2 . LYS A 1 28 ? 8.087 7.201 2.134 1.00 0.00 ? 28 LYS A HE2 12 ATOM 16092 H HE3 . LYS A 1 28 ? 7.911 6.258 3.612 1.00 0.00 ? 28 LYS A HE3 12 ATOM 16093 H HZ1 . LYS A 1 28 ? 9.957 8.037 4.099 1.00 0.00 ? 28 LYS A HZ1 12 ATOM 16094 H HZ2 . LYS A 1 28 ? 8.775 8.942 3.295 1.00 0.00 ? 28 LYS A HZ2 12 ATOM 16095 H HZ3 . LYS A 1 28 ? 8.383 8.106 4.714 1.00 0.00 ? 28 LYS A HZ3 12 ATOM 16096 N N . GLN A 1 29 ? 10.537 2.160 4.778 1.00 0.00 ? 29 GLN A N 12 ATOM 16097 C CA . GLN A 1 29 ? 11.459 2.267 5.902 1.00 0.00 ? 29 GLN A CA 12 ATOM 16098 C C . GLN A 1 29 ? 12.631 1.307 5.730 1.00 0.00 ? 29 GLN A C 12 ATOM 16099 O O . GLN A 1 29 ? 13.773 1.644 6.039 1.00 0.00 ? 29 GLN A O 12 ATOM 16100 C CB . GLN A 1 29 ? 10.731 1.974 7.216 1.00 0.00 ? 29 GLN A CB 12 ATOM 16101 C CG . GLN A 1 29 ? 11.489 2.443 8.447 1.00 0.00 ? 29 GLN A CG 12 ATOM 16102 C CD . GLN A 1 29 ? 11.087 1.689 9.700 1.00 0.00 ? 29 GLN A CD 12 ATOM 16103 O OE1 . GLN A 1 29 ? 10.894 0.473 9.672 1.00 0.00 ? 29 GLN A OE1 12 ATOM 16104 N NE2 . GLN A 1 29 ? 10.958 2.409 10.808 1.00 0.00 ? 29 GLN A NE2 12 ATOM 16105 H H . GLN A 1 29 ? 9.701 1.663 4.892 1.00 0.00 ? 29 GLN A H 12 ATOM 16106 H HA . GLN A 1 29 ? 11.837 3.278 5.926 1.00 0.00 ? 29 GLN A HA 12 ATOM 16107 H HB2 . GLN A 1 29 ? 9.771 2.470 7.200 1.00 0.00 ? 29 GLN A HB2 12 ATOM 16108 H HB3 . GLN A 1 29 ? 10.576 0.910 7.298 1.00 0.00 ? 29 GLN A HB3 12 ATOM 16109 H HG2 . GLN A 1 29 ? 12.545 2.296 8.281 1.00 0.00 ? 29 GLN A HG2 12 ATOM 16110 H HG3 . GLN A 1 29 ? 11.291 3.494 8.598 1.00 0.00 ? 29 GLN A HG3 12 ATOM 16111 H HE21 . GLN A 1 29 ? 11.127 3.373 10.756 1.00 0.00 ? 29 GLN A HE21 12 ATOM 16112 H HE22 . GLN A 1 29 ? 10.699 1.947 11.633 1.00 0.00 ? 29 GLN A HE22 12 ATOM 16113 N N . SER A 1 30 ? 12.337 0.110 5.233 1.00 0.00 ? 30 SER A N 12 ATOM 16114 C CA . SER A 1 30 ? 13.369 -0.900 5.016 1.00 0.00 ? 30 SER A CA 12 ATOM 16115 C C . SER A 1 30 ? 14.252 -0.527 3.829 1.00 0.00 ? 30 SER A C 12 ATOM 16116 O O . SER A 1 30 ? 15.458 -0.774 3.837 1.00 0.00 ? 30 SER A O 12 ATOM 16117 C CB . SER A 1 30 ? 12.732 -2.271 4.782 1.00 0.00 ? 30 SER A CB 12 ATOM 16118 O OG . SER A 1 30 ? 11.435 -2.143 4.226 1.00 0.00 ? 30 SER A OG 12 ATOM 16119 H H . SER A 1 30 ? 11.407 -0.101 5.004 1.00 0.00 ? 30 SER A H 12 ATOM 16120 H HA . SER A 1 30 ? 13.981 -0.944 5.904 1.00 0.00 ? 30 SER A HA 12 ATOM 16121 H HB2 . SER A 1 30 ? 13.347 -2.840 4.099 1.00 0.00 ? 30 SER A HB2 12 ATOM 16122 H HB3 . SER A 1 30 ? 12.659 -2.797 5.722 1.00 0.00 ? 30 SER A HB3 12 ATOM 16123 H HG . SER A 1 30 ? 11.502 -1.825 3.323 1.00 0.00 ? 30 SER A HG 12 ATOM 16124 N N . ILE A 1 31 ? 13.643 0.069 2.809 1.00 0.00 ? 31 ILE A N 12 ATOM 16125 C CA . ILE A 1 31 ? 14.371 0.477 1.614 1.00 0.00 ? 31 ILE A CA 12 ATOM 16126 C C . ILE A 1 31 ? 15.179 1.744 1.872 1.00 0.00 ? 31 ILE A C 12 ATOM 16127 O O . ILE A 1 31 ? 16.256 1.932 1.306 1.00 0.00 ? 31 ILE A O 12 ATOM 16128 C CB . ILE A 1 31 ? 13.415 0.718 0.430 1.00 0.00 ? 31 ILE A CB 12 ATOM 16129 C CG1 . ILE A 1 31 ? 14.224 0.921 -0.871 1.00 0.00 ? 31 ILE A CG1 12 ATOM 16130 C CG2 . ILE A 1 31 ? 12.483 1.889 0.734 1.00 0.00 ? 31 ILE A CG2 12 ATOM 16131 C CD1 . ILE A 1 31 ? 14.250 2.342 -1.413 1.00 0.00 ? 31 ILE A CD1 12 ATOM 16132 H H . ILE A 1 31 ? 12.679 0.239 2.863 1.00 0.00 ? 31 ILE A H 12 ATOM 16133 H HA . ILE A 1 31 ? 15.048 -0.321 1.348 1.00 0.00 ? 31 ILE A HA 12 ATOM 16134 H HB . ILE A 1 31 ? 12.800 -0.163 0.319 1.00 0.00 ? 31 ILE A HB 12 ATOM 16135 H HG12 . ILE A 1 31 ? 15.246 0.628 -0.693 1.00 0.00 ? 31 ILE A HG12 12 ATOM 16136 H HG13 . ILE A 1 31 ? 13.809 0.286 -1.638 1.00 0.00 ? 31 ILE A HG13 12 ATOM 16137 H HG21 . ILE A 1 31 ? 12.102 1.793 1.740 1.00 0.00 ? 31 ILE A HG21 12 ATOM 16138 H HG22 . ILE A 1 31 ? 13.028 2.816 0.644 1.00 0.00 ? 31 ILE A HG22 12 ATOM 16139 H HG23 . ILE A 1 31 ? 11.660 1.885 0.034 1.00 0.00 ? 31 ILE A HG23 12 ATOM 16140 H HD11 . ILE A 1 31 ? 14.392 3.036 -0.599 1.00 0.00 ? 31 ILE A HD11 12 ATOM 16141 H HD12 . ILE A 1 31 ? 15.061 2.442 -2.119 1.00 0.00 ? 31 ILE A HD12 12 ATOM 16142 H HD13 . ILE A 1 31 ? 13.313 2.553 -1.909 1.00 0.00 ? 31 ILE A HD13 12 ATOM 16143 N N . LYS A 1 32 ? 14.652 2.609 2.732 1.00 0.00 ? 32 LYS A N 12 ATOM 16144 C CA . LYS A 1 32 ? 15.326 3.857 3.070 1.00 0.00 ? 32 LYS A CA 12 ATOM 16145 C C . LYS A 1 32 ? 16.463 3.605 4.054 1.00 0.00 ? 32 LYS A C 12 ATOM 16146 O O . LYS A 1 32 ? 17.444 4.348 4.088 1.00 0.00 ? 32 LYS A O 12 ATOM 16147 C CB . LYS A 1 32 ? 14.332 4.857 3.662 1.00 0.00 ? 32 LYS A CB 12 ATOM 16148 C CG . LYS A 1 32 ? 14.975 6.155 4.121 1.00 0.00 ? 32 LYS A CG 12 ATOM 16149 C CD . LYS A 1 32 ? 14.221 7.366 3.596 1.00 0.00 ? 32 LYS A CD 12 ATOM 16150 C CE . LYS A 1 32 ? 14.747 7.806 2.239 1.00 0.00 ? 32 LYS A CE 12 ATOM 16151 N NZ . LYS A 1 32 ? 15.178 9.231 2.246 1.00 0.00 ? 32 LYS A NZ 12 ATOM 16152 H H . LYS A 1 32 ? 13.792 2.401 3.154 1.00 0.00 ? 32 LYS A H 12 ATOM 16153 H HA . LYS A 1 32 ? 15.738 4.267 2.160 1.00 0.00 ? 32 LYS A HA 12 ATOM 16154 H HB2 . LYS A 1 32 ? 13.587 5.092 2.916 1.00 0.00 ? 32 LYS A HB2 12 ATOM 16155 H HB3 . LYS A 1 32 ? 13.845 4.402 4.512 1.00 0.00 ? 32 LYS A HB3 12 ATOM 16156 H HG2 . LYS A 1 32 ? 14.975 6.184 5.201 1.00 0.00 ? 32 LYS A HG2 12 ATOM 16157 H HG3 . LYS A 1 32 ? 15.992 6.190 3.758 1.00 0.00 ? 32 LYS A HG3 12 ATOM 16158 H HD2 . LYS A 1 32 ? 13.175 7.114 3.499 1.00 0.00 ? 32 LYS A HD2 12 ATOM 16159 H HD3 . LYS A 1 32 ? 14.333 8.181 4.297 1.00 0.00 ? 32 LYS A HD3 12 ATOM 16160 H HE2 . LYS A 1 32 ? 15.591 7.185 1.977 1.00 0.00 ? 32 LYS A HE2 12 ATOM 16161 H HE3 . LYS A 1 32 ? 13.965 7.678 1.506 1.00 0.00 ? 32 LYS A HE3 12 ATOM 16162 H HZ1 . LYS A 1 32 ? 14.726 9.738 3.033 1.00 0.00 ? 32 LYS A HZ1 12 ATOM 16163 H HZ2 . LYS A 1 32 ? 16.211 9.292 2.357 1.00 0.00 ? 32 LYS A HZ2 12 ATOM 16164 H HZ3 . LYS A 1 32 ? 14.909 9.690 1.352 1.00 0.00 ? 32 LYS A HZ3 12 ATOM 16165 N N . LYS A 1 33 ? 16.324 2.550 4.850 1.00 0.00 ? 33 LYS A N 12 ATOM 16166 C CA . LYS A 1 33 ? 17.340 2.196 5.832 1.00 0.00 ? 33 LYS A CA 12 ATOM 16167 C C . LYS A 1 33 ? 18.529 1.524 5.156 1.00 0.00 ? 33 LYS A C 12 ATOM 16168 O O . LYS A 1 33 ? 19.678 1.729 5.548 1.00 0.00 ? 33 LYS A O 12 ATOM 16169 C CB . LYS A 1 33 ? 16.751 1.269 6.897 1.00 0.00 ? 33 LYS A CB 12 ATOM 16170 C CG . LYS A 1 33 ? 17.667 1.055 8.091 1.00 0.00 ? 33 LYS A CG 12 ATOM 16171 C CD . LYS A 1 33 ? 17.387 2.061 9.195 1.00 0.00 ? 33 LYS A CD 12 ATOM 16172 C CE . LYS A 1 33 ? 18.674 2.635 9.766 1.00 0.00 ? 33 LYS A CE 12 ATOM 16173 N NZ . LYS A 1 33 ? 19.161 1.852 10.936 1.00 0.00 ? 33 LYS A NZ 12 ATOM 16174 H H . LYS A 1 33 ? 15.520 1.995 4.772 1.00 0.00 ? 33 LYS A H 12 ATOM 16175 H HA . LYS A 1 33 ? 17.677 3.107 6.305 1.00 0.00 ? 33 LYS A HA 12 ATOM 16176 H HB2 . LYS A 1 33 ? 15.824 1.692 7.254 1.00 0.00 ? 33 LYS A HB2 12 ATOM 16177 H HB3 . LYS A 1 33 ? 16.549 0.308 6.449 1.00 0.00 ? 33 LYS A HB3 12 ATOM 16178 H HG2 . LYS A 1 33 ? 17.512 0.060 8.478 1.00 0.00 ? 33 LYS A HG2 12 ATOM 16179 H HG3 . LYS A 1 33 ? 18.693 1.162 7.769 1.00 0.00 ? 33 LYS A HG3 12 ATOM 16180 H HD2 . LYS A 1 33 ? 16.794 2.868 8.792 1.00 0.00 ? 33 LYS A HD2 12 ATOM 16181 H HD3 . LYS A 1 33 ? 16.841 1.570 9.987 1.00 0.00 ? 33 LYS A HD3 12 ATOM 16182 H HE2 . LYS A 1 33 ? 19.432 2.621 8.996 1.00 0.00 ? 33 LYS A HE2 12 ATOM 16183 H HE3 . LYS A 1 33 ? 18.494 3.654 10.074 1.00 0.00 ? 33 LYS A HE3 12 ATOM 16184 H HZ1 . LYS A 1 33 ? 18.607 0.977 11.035 1.00 0.00 ? 33 LYS A HZ1 12 ATOM 16185 H HZ2 . LYS A 1 33 ? 20.163 1.605 10.808 1.00 0.00 ? 33 LYS A HZ2 12 ATOM 16186 H HZ3 . LYS A 1 33 ? 19.062 2.412 11.807 1.00 0.00 ? 33 LYS A HZ3 12 ATOM 16187 N N . LEU A 1 34 ? 18.244 0.723 4.134 1.00 0.00 ? 34 LEU A N 12 ATOM 16188 C CA . LEU A 1 34 ? 19.290 0.025 3.398 1.00 0.00 ? 34 LEU A CA 12 ATOM 16189 C C . LEU A 1 34 ? 20.091 0.999 2.542 1.00 0.00 ? 34 LEU A C 12 ATOM 16190 O O . LEU A 1 34 ? 21.309 0.878 2.421 1.00 0.00 ? 34 LEU A O 12 ATOM 16191 C CB . LEU A 1 34 ? 18.680 -1.066 2.515 1.00 0.00 ? 34 LEU A CB 12 ATOM 16192 C CG . LEU A 1 34 ? 18.777 -2.485 3.077 1.00 0.00 ? 34 LEU A CG 12 ATOM 16193 C CD1 . LEU A 1 34 ? 17.696 -3.372 2.479 1.00 0.00 ? 34 LEU A CD1 12 ATOM 16194 C CD2 . LEU A 1 34 ? 20.157 -3.069 2.811 1.00 0.00 ? 34 LEU A CD2 12 ATOM 16195 H H . LEU A 1 34 ? 17.309 0.603 3.866 1.00 0.00 ? 34 LEU A H 12 ATOM 16196 H HA . LEU A 1 34 ? 19.951 -0.435 4.117 1.00 0.00 ? 34 LEU A HA 12 ATOM 16197 H HB2 . LEU A 1 34 ? 17.636 -0.833 2.361 1.00 0.00 ? 34 LEU A HB2 12 ATOM 16198 H HB3 . LEU A 1 34 ? 19.180 -1.047 1.558 1.00 0.00 ? 34 LEU A HB3 12 ATOM 16199 H HG . LEU A 1 34 ? 18.628 -2.453 4.147 1.00 0.00 ? 34 LEU A HG 12 ATOM 16200 H HD11 . LEU A 1 34 ? 16.805 -2.787 2.308 1.00 0.00 ? 34 LEU A HD11 12 ATOM 16201 H HD12 . LEU A 1 34 ? 18.044 -3.782 1.542 1.00 0.00 ? 34 LEU A HD12 12 ATOM 16202 H HD13 . LEU A 1 34 ? 17.472 -4.178 3.164 1.00 0.00 ? 34 LEU A HD13 12 ATOM 16203 H HD21 . LEU A 1 34 ? 20.911 -2.339 3.062 1.00 0.00 ? 34 LEU A HD21 12 ATOM 16204 H HD22 . LEU A 1 34 ? 20.297 -3.953 3.414 1.00 0.00 ? 34 LEU A HD22 12 ATOM 16205 H HD23 . LEU A 1 34 ? 20.242 -3.329 1.766 1.00 0.00 ? 34 LEU A HD23 12 ATOM 16206 N N . LYS A 1 35 ? 19.397 1.968 1.952 1.00 0.00 ? 35 LYS A N 12 ATOM 16207 C CA . LYS A 1 35 ? 20.045 2.966 1.109 1.00 0.00 ? 35 LYS A CA 12 ATOM 16208 C C . LYS A 1 35 ? 20.897 3.914 1.946 1.00 0.00 ? 35 LYS A C 12 ATOM 16209 O O . LYS A 1 35 ? 21.950 4.372 1.504 1.00 0.00 ? 35 LYS A O 12 ATOM 16210 C CB . LYS A 1 35 ? 18.998 3.760 0.326 1.00 0.00 ? 35 LYS A CB 12 ATOM 16211 C CG . LYS A 1 35 ? 19.559 4.463 -0.900 1.00 0.00 ? 35 LYS A CG 12 ATOM 16212 C CD . LYS A 1 35 ? 18.789 5.736 -1.212 1.00 0.00 ? 35 LYS A CD 12 ATOM 16213 C CE . LYS A 1 35 ? 17.509 5.440 -1.977 1.00 0.00 ? 35 LYS A CE 12 ATOM 16214 N NZ . LYS A 1 35 ? 17.780 4.727 -3.256 1.00 0.00 ? 35 LYS A NZ 12 ATOM 16215 H H . LYS A 1 35 ? 18.427 2.013 2.087 1.00 0.00 ? 35 LYS A H 12 ATOM 16216 H HA . LYS A 1 35 ? 20.685 2.446 0.412 1.00 0.00 ? 35 LYS A HA 12 ATOM 16217 H HB2 . LYS A 1 35 ? 18.219 3.085 0.001 1.00 0.00 ? 35 LYS A HB2 12 ATOM 16218 H HB3 . LYS A 1 35 ? 18.567 4.506 0.977 1.00 0.00 ? 35 LYS A HB3 12 ATOM 16219 H HG2 . LYS A 1 35 ? 20.593 4.717 -0.716 1.00 0.00 ? 35 LYS A HG2 12 ATOM 16220 H HG3 . LYS A 1 35 ? 19.494 3.797 -1.747 1.00 0.00 ? 35 LYS A HG3 12 ATOM 16221 H HD2 . LYS A 1 35 ? 18.536 6.229 -0.285 1.00 0.00 ? 35 LYS A HD2 12 ATOM 16222 H HD3 . LYS A 1 35 ? 19.414 6.386 -1.809 1.00 0.00 ? 35 LYS A HD3 12 ATOM 16223 H HE2 . LYS A 1 35 ? 16.870 4.825 -1.362 1.00 0.00 ? 35 LYS A HE2 12 ATOM 16224 H HE3 . LYS A 1 35 ? 17.010 6.373 -2.193 1.00 0.00 ? 35 LYS A HE3 12 ATOM 16225 H HZ1 . LYS A 1 35 ? 18.755 4.912 -3.569 1.00 0.00 ? 35 LYS A HZ1 12 ATOM 16226 H HZ2 . LYS A 1 35 ? 17.657 3.702 -3.128 1.00 0.00 ? 35 LYS A HZ2 12 ATOM 16227 H HZ3 . LYS A 1 35 ? 17.124 5.053 -3.993 1.00 0.00 ? 35 LYS A HZ3 12 ATOM 16228 N N . GLN A 1 36 ? 20.434 4.204 3.158 1.00 0.00 ? 36 GLN A N 12 ATOM 16229 C CA . GLN A 1 36 ? 21.154 5.097 4.057 1.00 0.00 ? 36 GLN A CA 12 ATOM 16230 C C . GLN A 1 36 ? 22.425 4.434 4.579 1.00 0.00 ? 36 GLN A C 12 ATOM 16231 O O . GLN A 1 36 ? 23.433 5.100 4.815 1.00 0.00 ? 36 GLN A O 12 ATOM 16232 C CB . GLN A 1 36 ? 20.260 5.504 5.230 1.00 0.00 ? 36 GLN A CB 12 ATOM 16233 C CG . GLN A 1 36 ? 20.710 6.779 5.925 1.00 0.00 ? 36 GLN A CG 12 ATOM 16234 C CD . GLN A 1 36 ? 19.806 7.958 5.622 1.00 0.00 ? 36 GLN A CD 12 ATOM 16235 O OE1 . GLN A 1 36 ? 19.382 8.154 4.484 1.00 0.00 ? 36 GLN A OE1 12 ATOM 16236 N NE2 . GLN A 1 36 ? 19.508 8.752 6.645 1.00 0.00 ? 36 GLN A NE2 12 ATOM 16237 H H . GLN A 1 36 ? 19.588 3.808 3.454 1.00 0.00 ? 36 GLN A H 12 ATOM 16238 H HA . GLN A 1 36 ? 21.426 5.981 3.500 1.00 0.00 ? 36 GLN A HA 12 ATOM 16239 H HB2 . GLN A 1 36 ? 19.254 5.654 4.865 1.00 0.00 ? 36 GLN A HB2 12 ATOM 16240 H HB3 . GLN A 1 36 ? 20.254 4.706 5.958 1.00 0.00 ? 36 GLN A HB3 12 ATOM 16241 H HG2 . GLN A 1 36 ? 20.712 6.611 6.992 1.00 0.00 ? 36 GLN A HG2 12 ATOM 16242 H HG3 . GLN A 1 36 ? 21.711 7.018 5.597 1.00 0.00 ? 36 GLN A HG3 12 ATOM 16243 H HE21 . GLN A 1 36 ? 19.883 8.536 7.523 1.00 0.00 ? 36 GLN A HE21 12 ATOM 16244 H HE22 . GLN A 1 36 ? 18.926 9.522 6.478 1.00 0.00 ? 36 GLN A HE22 12 ATOM 16245 N N . SER A 1 37 ? 22.370 3.118 4.754 1.00 0.00 ? 37 SER A N 12 ATOM 16246 C CA . SER A 1 37 ? 23.517 2.364 5.247 1.00 0.00 ? 37 SER A CA 12 ATOM 16247 C C . SER A 1 37 ? 24.641 2.349 4.215 1.00 0.00 ? 37 SER A C 12 ATOM 16248 O O . SER A 1 37 ? 25.817 2.266 4.567 1.00 0.00 ? 37 SER A O 12 ATOM 16249 C CB . SER A 1 37 ? 23.103 0.931 5.588 1.00 0.00 ? 37 SER A CB 12 ATOM 16250 O OG . SER A 1 37 ? 22.975 0.145 4.416 1.00 0.00 ? 37 SER A OG 12 ATOM 16251 H H . SER A 1 37 ? 21.538 2.643 4.547 1.00 0.00 ? 37 SER A H 12 ATOM 16252 H HA . SER A 1 37 ? 23.873 2.849 6.143 1.00 0.00 ? 37 SER A HA 12 ATOM 16253 H HB2 . SER A 1 37 ? 23.852 0.485 6.225 1.00 0.00 ? 37 SER A HB2 12 ATOM 16254 H HB3 . SER A 1 37 ? 22.154 0.945 6.102 1.00 0.00 ? 37 SER A HB3 12 ATOM 16255 H HG . SER A 1 37 ? 23.052 -0.785 4.644 1.00 0.00 ? 37 SER A HG 12 ATOM 16256 N N . GLU A 1 38 ? 24.270 2.432 2.942 1.00 0.00 ? 38 GLU A N 12 ATOM 16257 C CA . GLU A 1 38 ? 25.248 2.428 1.860 1.00 0.00 ? 38 GLU A CA 12 ATOM 16258 C C . GLU A 1 38 ? 26.093 3.698 1.886 1.00 0.00 ? 38 GLU A C 12 ATOM 16259 O O . GLU A 1 38 ? 27.240 3.701 1.440 1.00 0.00 ? 38 GLU A O 12 ATOM 16260 C CB . GLU A 1 38 ? 24.543 2.299 0.508 1.00 0.00 ? 38 GLU A CB 12 ATOM 16261 C CG . GLU A 1 38 ? 25.163 1.253 -0.403 1.00 0.00 ? 38 GLU A CG 12 ATOM 16262 C CD . GLU A 1 38 ? 24.504 1.205 -1.768 1.00 0.00 ? 38 GLU A CD 12 ATOM 16263 O OE1 . GLU A 1 38 ? 23.450 1.851 -1.941 1.00 0.00 ? 38 GLU A OE1 12 ATOM 16264 O OE2 . GLU A 1 38 ? 25.042 0.520 -2.663 1.00 0.00 ? 38 GLU A OE2 12 ATOM 16265 H H . GLU A 1 38 ? 23.316 2.497 2.725 1.00 0.00 ? 38 GLU A H 12 ATOM 16266 H HA . GLU A 1 38 ? 25.896 1.576 2.001 1.00 0.00 ? 38 GLU A HA 12 ATOM 16267 H HB2 . GLU A 1 38 ? 23.511 2.032 0.678 1.00 0.00 ? 38 GLU A HB2 12 ATOM 16268 H HB3 . GLU A 1 38 ? 24.581 3.253 0.003 1.00 0.00 ? 38 GLU A HB3 12 ATOM 16269 H HG2 . GLU A 1 38 ? 26.210 1.482 -0.534 1.00 0.00 ? 38 GLU A HG2 12 ATOM 16270 H HG3 . GLU A 1 38 ? 25.063 0.283 0.063 1.00 0.00 ? 38 GLU A HG3 12 ATOM 16271 N N . ASP A 1 39 ? 25.518 4.775 2.412 1.00 0.00 ? 39 ASP A N 12 ATOM 16272 C CA . ASP A 1 39 ? 26.219 6.051 2.497 1.00 0.00 ? 39 ASP A CA 12 ATOM 16273 C C . ASP A 1 39 ? 27.073 6.119 3.759 1.00 0.00 ? 39 ASP A C 12 ATOM 16274 O O . ASP A 1 39 ? 28.067 6.842 3.807 1.00 0.00 ? 39 ASP A O 12 ATOM 16275 C CB . ASP A 1 39 ? 25.219 7.208 2.481 1.00 0.00 ? 39 ASP A CB 12 ATOM 16276 C CG . ASP A 1 39 ? 25.456 8.162 1.326 1.00 0.00 ? 39 ASP A CG 12 ATOM 16277 O OD1 . ASP A 1 39 ? 25.361 7.719 0.162 1.00 0.00 ? 39 ASP A OD1 12 ATOM 16278 O OD2 . ASP A 1 39 ? 25.739 9.350 1.587 1.00 0.00 ? 39 ASP A OD2 12 ATOM 16279 H H . ASP A 1 39 ? 24.601 4.709 2.751 1.00 0.00 ? 39 ASP A H 12 ATOM 16280 H HA . ASP A 1 39 ? 26.864 6.132 1.635 1.00 0.00 ? 39 ASP A HA 12 ATOM 16281 H HB2 . ASP A 1 39 ? 24.219 6.810 2.394 1.00 0.00 ? 39 ASP A HB2 12 ATOM 16282 H HB3 . ASP A 1 39 ? 25.303 7.761 3.405 1.00 0.00 ? 39 ASP A HB3 12 ATOM 16283 N N . ASP A 1 40 ? 26.677 5.361 4.777 1.00 0.00 ? 40 ASP A N 12 ATOM 16284 C CA . ASP A 1 40 ? 27.404 5.332 6.042 1.00 0.00 ? 40 ASP A CA 12 ATOM 16285 C C . ASP A 1 40 ? 27.231 6.646 6.801 1.00 0.00 ? 40 ASP A C 12 ATOM 16286 O O . ASP A 1 40 ? 26.361 6.763 7.664 1.00 0.00 ? 40 ASP A O 12 ATOM 16287 C CB . ASP A 1 40 ? 28.889 5.057 5.798 1.00 0.00 ? 40 ASP A CB 12 ATOM 16288 C CG . ASP A 1 40 ? 29.297 3.663 6.235 1.00 0.00 ? 40 ASP A CG 12 ATOM 16289 O OD1 . ASP A 1 40 ? 28.784 2.685 5.653 1.00 0.00 ? 40 ASP A OD1 12 ATOM 16290 O OD2 . ASP A 1 40 ? 30.130 3.550 7.157 1.00 0.00 ? 40 ASP A OD2 12 ATOM 16291 H H . ASP A 1 40 ? 25.876 4.807 4.675 1.00 0.00 ? 40 ASP A H 12 ATOM 16292 H HA . ASP A 1 40 ? 26.993 4.532 6.639 1.00 0.00 ? 40 ASP A HA 12 ATOM 16293 H HB2 . ASP A 1 40 ? 29.101 5.159 4.744 1.00 0.00 ? 40 ASP A HB2 12 ATOM 16294 H HB3 . ASP A 1 40 ? 29.478 5.775 6.350 1.00 0.00 ? 40 ASP A HB3 12 ATOM 16295 N N . ASP A 1 41 ? 28.063 7.632 6.478 1.00 0.00 ? 41 ASP A N 12 ATOM 16296 C CA . ASP A 1 41 ? 27.996 8.932 7.133 1.00 0.00 ? 41 ASP A CA 12 ATOM 16297 C C . ASP A 1 41 ? 26.824 9.750 6.601 1.00 0.00 ? 41 ASP A C 12 ATOM 16298 O O . ASP A 1 41 ? 26.182 10.456 7.406 1.00 0.00 ? 41 ASP A O 12 ATOM 16299 C CB . ASP A 1 41 ? 29.304 9.699 6.925 1.00 0.00 ? 41 ASP A CB 12 ATOM 16300 C CG . ASP A 1 41 ? 29.748 10.433 8.174 1.00 0.00 ? 41 ASP A CG 12 ATOM 16301 O OD1 . ASP A 1 41 ? 30.019 9.763 9.193 1.00 0.00 ? 41 ASP A OD1 12 ATOM 16302 O OD2 . ASP A 1 41 ? 29.826 11.679 8.134 1.00 0.00 ? 41 ASP A OD2 12 ATOM 16303 O OXT . ASP A 1 41 ? 26.558 9.679 5.383 1.00 0.00 ? 41 ASP A OXT 12 ATOM 16304 H H . ASP A 1 41 ? 28.736 7.481 5.782 1.00 0.00 ? 41 ASP A H 12 ATOM 16305 H HA . ASP A 1 41 ? 27.852 8.764 8.189 1.00 0.00 ? 41 ASP A HA 12 ATOM 16306 H HB2 . ASP A 1 41 ? 30.081 9.004 6.643 1.00 0.00 ? 41 ASP A HB2 12 ATOM 16307 H HB3 . ASP A 1 41 ? 29.169 10.421 6.133 1.00 0.00 ? 41 ASP A HB3 12 ATOM 16308 N N . ALA B 1 1 ? 34.698 -1.256 -0.187 1.00 0.00 ? 1 ALA B N 12 ATOM 16309 C CA . ALA B 1 1 ? 34.450 0.171 -0.521 1.00 0.00 ? 1 ALA B CA 12 ATOM 16310 C C . ALA B 1 1 ? 33.148 0.333 -1.296 1.00 0.00 ? 1 ALA B C 12 ATOM 16311 O O . ALA B 1 1 ? 32.134 0.760 -0.743 1.00 0.00 ? 1 ALA B O 12 ATOM 16312 C CB . ALA B 1 1 ? 35.615 0.733 -1.323 1.00 0.00 ? 1 ALA B CB 12 ATOM 16313 H H1 . ALA B 1 1 ? 33.870 -1.608 0.334 1.00 0.00 ? 1 ALA B H1 12 ATOM 16314 H H2 . ALA B 1 1 ? 34.826 -1.773 -1.079 1.00 0.00 ? 1 ALA B H2 12 ATOM 16315 H H3 . ALA B 1 1 ? 35.557 -1.299 0.399 1.00 0.00 ? 1 ALA B H3 12 ATOM 16316 H HA . ALA B 1 1 ? 34.379 0.728 0.401 1.00 0.00 ? 1 ALA B HA 12 ATOM 16317 H HB1 . ALA B 1 1 ? 36.231 -0.078 -1.681 1.00 0.00 ? 1 ALA B HB1 12 ATOM 16318 H HB2 . ALA B 1 1 ? 36.205 1.383 -0.693 1.00 0.00 ? 1 ALA B HB2 12 ATOM 16319 H HB3 . ALA B 1 1 ? 35.235 1.295 -2.163 1.00 0.00 ? 1 ALA B HB3 12 ATOM 16320 N N . LEU B 1 2 ? 33.182 -0.009 -2.579 1.00 0.00 ? 2 LEU B N 12 ATOM 16321 C CA . LEU B 1 2 ? 32.003 0.099 -3.432 1.00 0.00 ? 2 LEU B CA 12 ATOM 16322 C C . LEU B 1 2 ? 31.244 -1.223 -3.480 1.00 0.00 ? 2 LEU B C 12 ATOM 16323 O O . LEU B 1 2 ? 31.384 -1.997 -4.427 1.00 0.00 ? 2 LEU B O 12 ATOM 16324 C CB . LEU B 1 2 ? 32.407 0.520 -4.846 1.00 0.00 ? 2 LEU B CB 12 ATOM 16325 C CG . LEU B 1 2 ? 32.124 1.983 -5.191 1.00 0.00 ? 2 LEU B CG 12 ATOM 16326 C CD1 . LEU B 1 2 ? 33.223 2.882 -4.649 1.00 0.00 ? 2 LEU B CD1 12 ATOM 16327 C CD2 . LEU B 1 2 ? 31.985 2.157 -6.696 1.00 0.00 ? 2 LEU B CD2 12 ATOM 16328 H H . LEU B 1 2 ? 34.020 -0.343 -2.964 1.00 0.00 ? 2 LEU B H 12 ATOM 16329 H HA . LEU B 1 2 ? 31.359 0.855 -3.010 1.00 0.00 ? 2 LEU B HA 12 ATOM 16330 H HB2 . LEU B 1 2 ? 33.466 0.342 -4.963 1.00 0.00 ? 2 LEU B HB2 12 ATOM 16331 H HB3 . LEU B 1 2 ? 31.874 -0.102 -5.550 1.00 0.00 ? 2 LEU B HB3 12 ATOM 16332 H HG . LEU B 1 2 ? 31.193 2.281 -4.732 1.00 0.00 ? 2 LEU B HG 12 ATOM 16333 H HD11 . LEU B 1 2 ? 33.740 2.375 -3.846 1.00 0.00 ? 2 LEU B HD11 12 ATOM 16334 H HD12 . LEU B 1 2 ? 33.924 3.111 -5.437 1.00 0.00 ? 2 LEU B HD12 12 ATOM 16335 H HD13 . LEU B 1 2 ? 32.789 3.797 -4.275 1.00 0.00 ? 2 LEU B HD13 12 ATOM 16336 H HD21 . LEU B 1 2 ? 32.688 1.509 -7.200 1.00 0.00 ? 2 LEU B HD21 12 ATOM 16337 H HD22 . LEU B 1 2 ? 30.980 1.901 -6.997 1.00 0.00 ? 2 LEU B HD22 12 ATOM 16338 H HD23 . LEU B 1 2 ? 32.189 3.183 -6.960 1.00 0.00 ? 2 LEU B HD23 12 ATOM 16339 N N . LYS B 1 3 ? 30.440 -1.475 -2.452 1.00 0.00 ? 3 LYS B N 12 ATOM 16340 C CA . LYS B 1 3 ? 29.657 -2.703 -2.377 1.00 0.00 ? 3 LYS B CA 12 ATOM 16341 C C . LYS B 1 3 ? 28.849 -2.912 -3.653 1.00 0.00 ? 3 LYS B C 12 ATOM 16342 O O . LYS B 1 3 ? 29.089 -3.860 -4.401 1.00 0.00 ? 3 LYS B O 12 ATOM 16343 C CB . LYS B 1 3 ? 28.722 -2.664 -1.168 1.00 0.00 ? 3 LYS B CB 12 ATOM 16344 C CG . LYS B 1 3 ? 28.678 -3.969 -0.390 1.00 0.00 ? 3 LYS B CG 12 ATOM 16345 C CD . LYS B 1 3 ? 30.069 -4.416 0.029 1.00 0.00 ? 3 LYS B CD 12 ATOM 16346 C CE . LYS B 1 3 ? 30.121 -4.757 1.509 1.00 0.00 ? 3 LYS B CE 12 ATOM 16347 N NZ . LYS B 1 3 ? 31.482 -4.555 2.079 1.00 0.00 ? 3 LYS B NZ 12 ATOM 16348 H H . LYS B 1 3 ? 30.370 -0.819 -1.727 1.00 0.00 ? 3 LYS B H 12 ATOM 16349 H HA . LYS B 1 3 ? 30.345 -3.528 -2.262 1.00 0.00 ? 3 LYS B HA 12 ATOM 16350 H HB2 . LYS B 1 3 ? 29.050 -1.882 -0.498 1.00 0.00 ? 3 LYS B HB2 12 ATOM 16351 H HB3 . LYS B 1 3 ? 27.722 -2.439 -1.507 1.00 0.00 ? 3 LYS B HB3 12 ATOM 16352 H HG2 . LYS B 1 3 ? 28.074 -3.830 0.495 1.00 0.00 ? 3 LYS B HG2 12 ATOM 16353 H HG3 . LYS B 1 3 ? 28.237 -4.734 -1.013 1.00 0.00 ? 3 LYS B HG3 12 ATOM 16354 H HD2 . LYS B 1 3 ? 30.344 -5.289 -0.542 1.00 0.00 ? 3 LYS B HD2 12 ATOM 16355 H HD3 . LYS B 1 3 ? 30.768 -3.617 -0.172 1.00 0.00 ? 3 LYS B HD3 12 ATOM 16356 H HE2 . LYS B 1 3 ? 29.423 -4.126 2.037 1.00 0.00 ? 3 LYS B HE2 12 ATOM 16357 H HE3 . LYS B 1 3 ? 29.838 -5.792 1.637 1.00 0.00 ? 3 LYS B HE3 12 ATOM 16358 H HZ1 . LYS B 1 3 ? 32.172 -4.409 1.314 1.00 0.00 ? 3 LYS B HZ1 12 ATOM 16359 H HZ2 . LYS B 1 3 ? 31.489 -3.721 2.700 1.00 0.00 ? 3 LYS B HZ2 12 ATOM 16360 H HZ3 . LYS B 1 3 ? 31.767 -5.387 2.632 1.00 0.00 ? 3 LYS B HZ3 12 ATOM 16361 N N . LYS B 1 4 ? 27.889 -2.015 -3.892 1.00 0.00 ? 4 LYS B N 12 ATOM 16362 C CA . LYS B 1 4 ? 27.023 -2.075 -5.076 1.00 0.00 ? 4 LYS B CA 12 ATOM 16363 C C . LYS B 1 4 ? 25.828 -2.997 -4.842 1.00 0.00 ? 4 LYS B C 12 ATOM 16364 O O . LYS B 1 4 ? 24.688 -2.629 -5.126 1.00 0.00 ? 4 LYS B O 12 ATOM 16365 C CB . LYS B 1 4 ? 27.802 -2.534 -6.315 1.00 0.00 ? 4 LYS B CB 12 ATOM 16366 C CG . LYS B 1 4 ? 27.540 -1.683 -7.547 1.00 0.00 ? 4 LYS B CG 12 ATOM 16367 C CD . LYS B 1 4 ? 28.540 -1.981 -8.652 1.00 0.00 ? 4 LYS B CD 12 ATOM 16368 C CE . LYS B 1 4 ? 27.921 -1.799 -10.028 1.00 0.00 ? 4 LYS B CE 12 ATOM 16369 N NZ . LYS B 1 4 ? 28.774 -0.961 -10.915 1.00 0.00 ? 4 LYS B NZ 12 ATOM 16370 H H . LYS B 1 4 ? 27.756 -1.286 -3.251 1.00 0.00 ? 4 LYS B H 12 ATOM 16371 H HA . LYS B 1 4 ? 26.651 -1.077 -5.254 1.00 0.00 ? 4 LYS B HA 12 ATOM 16372 H HB2 . LYS B 1 4 ? 28.859 -2.497 -6.096 1.00 0.00 ? 4 LYS B HB2 12 ATOM 16373 H HB3 . LYS B 1 4 ? 27.525 -3.552 -6.542 1.00 0.00 ? 4 LYS B HB3 12 ATOM 16374 H HG2 . LYS B 1 4 ? 26.545 -1.889 -7.910 1.00 0.00 ? 4 LYS B HG2 12 ATOM 16375 H HG3 . LYS B 1 4 ? 27.618 -0.640 -7.275 1.00 0.00 ? 4 LYS B HG3 12 ATOM 16376 H HD2 . LYS B 1 4 ? 29.381 -1.311 -8.555 1.00 0.00 ? 4 LYS B HD2 12 ATOM 16377 H HD3 . LYS B 1 4 ? 28.879 -3.003 -8.552 1.00 0.00 ? 4 LYS B HD3 12 ATOM 16378 H HE2 . LYS B 1 4 ? 27.790 -2.769 -10.483 1.00 0.00 ? 4 LYS B HE2 12 ATOM 16379 H HE3 . LYS B 1 4 ? 26.958 -1.323 -9.915 1.00 0.00 ? 4 LYS B HE3 12 ATOM 16380 H HZ1 . LYS B 1 4 ? 29.755 -1.307 -10.899 1.00 0.00 ? 4 LYS B HZ1 12 ATOM 16381 H HZ2 . LYS B 1 4 ? 28.422 -0.999 -11.892 1.00 0.00 ? 4 LYS B HZ2 12 ATOM 16382 H HZ3 . LYS B 1 4 ? 28.761 0.029 -10.593 1.00 0.00 ? 4 LYS B HZ3 12 ATOM 16383 N N . HIS B 1 5 ? 26.090 -4.195 -4.325 1.00 0.00 ? 5 HIS B N 12 ATOM 16384 C CA . HIS B 1 5 ? 25.030 -5.161 -4.057 1.00 0.00 ? 5 HIS B CA 12 ATOM 16385 C C . HIS B 1 5 ? 23.883 -4.510 -3.289 1.00 0.00 ? 5 HIS B C 12 ATOM 16386 O O . HIS B 1 5 ? 22.718 -4.877 -3.460 1.00 0.00 ? 5 HIS B O 12 ATOM 16387 C CB . HIS B 1 5 ? 25.580 -6.348 -3.265 1.00 0.00 ? 5 HIS B CB 12 ATOM 16388 C CG . HIS B 1 5 ? 26.881 -6.868 -3.794 1.00 0.00 ? 5 HIS B CG 12 ATOM 16389 N ND1 . HIS B 1 5 ? 27.393 -6.507 -5.023 1.00 0.00 ? 5 HIS B ND1 12 ATOM 16390 C CD2 . HIS B 1 5 ? 27.776 -7.729 -3.254 1.00 0.00 ? 5 HIS B CD2 12 ATOM 16391 C CE1 . HIS B 1 5 ? 28.546 -7.122 -5.215 1.00 0.00 ? 5 HIS B CE1 12 ATOM 16392 N NE2 . HIS B 1 5 ? 28.801 -7.868 -4.157 1.00 0.00 ? 5 HIS B NE2 12 ATOM 16393 H H . HIS B 1 5 ? 27.016 -4.435 -4.119 1.00 0.00 ? 5 HIS B H 12 ATOM 16394 H HA . HIS B 1 5 ? 24.656 -5.515 -5.006 1.00 0.00 ? 5 HIS B HA 12 ATOM 16395 H HB2 . HIS B 1 5 ? 25.736 -6.047 -2.240 1.00 0.00 ? 5 HIS B HB2 12 ATOM 16396 H HB3 . HIS B 1 5 ? 24.862 -7.154 -3.293 1.00 0.00 ? 5 HIS B HB3 12 ATOM 16397 H HD1 . HIS B 1 5 ? 26.973 -5.890 -5.659 1.00 0.00 ? 5 HIS B HD1 12 ATOM 16398 H HD2 . HIS B 1 5 ? 27.699 -8.215 -2.291 1.00 0.00 ? 5 HIS B HD2 12 ATOM 16399 H HE1 . HIS B 1 5 ? 29.174 -7.029 -6.089 1.00 0.00 ? 5 HIS B HE1 12 ATOM 16400 H HE2 . HIS B 1 5 ? 29.595 -8.431 -4.038 1.00 0.00 ? 5 HIS B HE2 12 ATOM 16401 N N . HIS B 1 6 ? 24.219 -3.538 -2.448 1.00 0.00 ? 6 HIS B N 12 ATOM 16402 C CA . HIS B 1 6 ? 23.218 -2.834 -1.661 1.00 0.00 ? 6 HIS B CA 12 ATOM 16403 C C . HIS B 1 6 ? 22.228 -2.128 -2.575 1.00 0.00 ? 6 HIS B C 12 ATOM 16404 O O . HIS B 1 6 ? 21.026 -2.343 -2.473 1.00 0.00 ? 6 HIS B O 12 ATOM 16405 C CB . HIS B 1 6 ? 23.882 -1.826 -0.722 1.00 0.00 ? 6 HIS B CB 12 ATOM 16406 C CG . HIS B 1 6 ? 24.655 -2.465 0.390 1.00 0.00 ? 6 HIS B CG 12 ATOM 16407 N ND1 . HIS B 1 6 ? 25.199 -3.729 0.301 1.00 0.00 ? 6 HIS B ND1 12 ATOM 16408 C CD2 . HIS B 1 6 ? 24.975 -2.007 1.624 1.00 0.00 ? 6 HIS B CD2 12 ATOM 16409 C CE1 . HIS B 1 6 ? 25.819 -4.021 1.430 1.00 0.00 ? 6 HIS B CE1 12 ATOM 16410 N NE2 . HIS B 1 6 ? 25.698 -2.993 2.248 1.00 0.00 ? 6 HIS B NE2 12 ATOM 16411 H H . HIS B 1 6 ? 25.163 -3.286 -2.359 1.00 0.00 ? 6 HIS B H 12 ATOM 16412 H HA . HIS B 1 6 ? 22.682 -3.568 -1.075 1.00 0.00 ? 6 HIS B HA 12 ATOM 16413 H HB2 . HIS B 1 6 ? 24.564 -1.211 -1.289 1.00 0.00 ? 6 HIS B HB2 12 ATOM 16414 H HB3 . HIS B 1 6 ? 23.121 -1.199 -0.281 1.00 0.00 ? 6 HIS B HB3 12 ATOM 16415 H HD1 . HIS B 1 6 ? 25.138 -4.324 -0.476 1.00 0.00 ? 6 HIS B HD1 12 ATOM 16416 H HD2 . HIS B 1 6 ? 24.711 -1.045 2.039 1.00 0.00 ? 6 HIS B HD2 12 ATOM 16417 H HE1 . HIS B 1 6 ? 26.337 -4.944 1.646 1.00 0.00 ? 6 HIS B HE1 12 ATOM 16418 H HE2 . HIS B 1 6 ? 26.066 -2.944 3.155 1.00 0.00 ? 6 HIS B HE2 12 ATOM 16419 N N . GLU B 1 7 ? 22.741 -1.295 -3.473 1.00 0.00 ? 7 GLU B N 12 ATOM 16420 C CA . GLU B 1 7 ? 21.898 -0.570 -4.413 1.00 0.00 ? 7 GLU B CA 12 ATOM 16421 C C . GLU B 1 7 ? 20.977 -1.530 -5.163 1.00 0.00 ? 7 GLU B C 12 ATOM 16422 O O . GLU B 1 7 ? 19.925 -1.130 -5.662 1.00 0.00 ? 7 GLU B O 12 ATOM 16423 C CB . GLU B 1 7 ? 22.760 0.210 -5.409 1.00 0.00 ? 7 GLU B CB 12 ATOM 16424 C CG . GLU B 1 7 ? 21.954 1.067 -6.370 1.00 0.00 ? 7 GLU B CG 12 ATOM 16425 C CD . GLU B 1 7 ? 21.557 2.402 -5.770 1.00 0.00 ? 7 GLU B CD 12 ATOM 16426 O OE1 . GLU B 1 7 ? 20.904 2.403 -4.706 1.00 0.00 ? 7 GLU B OE1 12 ATOM 16427 O OE2 . GLU B 1 7 ? 21.899 3.445 -6.365 1.00 0.00 ? 7 GLU B OE2 12 ATOM 16428 H H . GLU B 1 7 ? 23.708 -1.168 -3.508 1.00 0.00 ? 7 GLU B H 12 ATOM 16429 H HA . GLU B 1 7 ? 21.294 0.125 -3.851 1.00 0.00 ? 7 GLU B HA 12 ATOM 16430 H HB2 . GLU B 1 7 ? 23.429 0.855 -4.859 1.00 0.00 ? 7 GLU B HB2 12 ATOM 16431 H HB3 . GLU B 1 7 ? 23.343 -0.491 -5.987 1.00 0.00 ? 7 GLU B HB3 12 ATOM 16432 H HG2 . GLU B 1 7 ? 22.547 1.249 -7.254 1.00 0.00 ? 7 GLU B HG2 12 ATOM 16433 H HG3 . GLU B 1 7 ? 21.057 0.531 -6.645 1.00 0.00 ? 7 GLU B HG3 12 ATOM 16434 N N . ASN B 1 8 ? 21.377 -2.799 -5.237 1.00 0.00 ? 8 ASN B N 12 ATOM 16435 C CA . ASN B 1 8 ? 20.584 -3.814 -5.920 1.00 0.00 ? 8 ASN B CA 12 ATOM 16436 C C . ASN B 1 8 ? 19.311 -4.115 -5.137 1.00 0.00 ? 8 ASN B C 12 ATOM 16437 O O . ASN B 1 8 ? 18.201 -3.904 -5.630 1.00 0.00 ? 8 ASN B O 12 ATOM 16438 C CB . ASN B 1 8 ? 21.399 -5.095 -6.105 1.00 0.00 ? 8 ASN B CB 12 ATOM 16439 C CG . ASN B 1 8 ? 21.149 -5.750 -7.450 1.00 0.00 ? 8 ASN B CG 12 ATOM 16440 O OD1 . ASN B 1 8 ? 20.250 -5.351 -8.191 1.00 0.00 ? 8 ASN B OD1 12 ATOM 16441 N ND2 . ASN B 1 8 ? 21.946 -6.762 -7.772 1.00 0.00 ? 8 ASN B ND2 12 ATOM 16442 H H . ASN B 1 8 ? 22.225 -3.058 -4.820 1.00 0.00 ? 8 ASN B H 12 ATOM 16443 H HA . ASN B 1 8 ? 20.311 -3.425 -6.890 1.00 0.00 ? 8 ASN B HA 12 ATOM 16444 H HB2 . ASN B 1 8 ? 22.450 -4.858 -6.033 1.00 0.00 ? 8 ASN B HB2 12 ATOM 16445 H HB3 . ASN B 1 8 ? 21.136 -5.797 -5.328 1.00 0.00 ? 8 ASN B HB3 12 ATOM 16446 H HD21 . ASN B 1 8 ? 22.640 -7.027 -7.133 1.00 0.00 ? 8 ASN B HD21 12 ATOM 16447 H HD22 . ASN B 1 8 ? 21.806 -7.204 -8.635 1.00 0.00 ? 8 ASN B HD22 12 ATOM 16448 N N . GLU B 1 9 ? 19.476 -4.589 -3.904 1.00 0.00 ? 9 GLU B N 12 ATOM 16449 C CA . GLU B 1 9 ? 18.331 -4.894 -3.050 1.00 0.00 ? 9 GLU B CA 12 ATOM 16450 C C . GLU B 1 9 ? 17.606 -3.610 -2.634 1.00 0.00 ? 9 GLU B C 12 ATOM 16451 O O . GLU B 1 9 ? 16.502 -3.655 -2.090 1.00 0.00 ? 9 GLU B O 12 ATOM 16452 C CB . GLU B 1 9 ? 18.789 -5.662 -1.810 1.00 0.00 ? 9 GLU B CB 12 ATOM 16453 C CG . GLU B 1 9 ? 17.682 -5.900 -0.796 1.00 0.00 ? 9 GLU B CG 12 ATOM 16454 C CD . GLU B 1 9 ? 17.641 -7.333 -0.303 1.00 0.00 ? 9 GLU B CD 12 ATOM 16455 O OE1 . GLU B 1 9 ? 17.361 -8.235 -1.119 1.00 0.00 ? 9 GLU B OE1 12 ATOM 16456 O OE2 . GLU B 1 9 ? 17.890 -7.553 0.902 1.00 0.00 ? 9 GLU B OE2 12 ATOM 16457 H H . GLU B 1 9 ? 20.387 -4.720 -3.556 1.00 0.00 ? 9 GLU B H 12 ATOM 16458 H HA . GLU B 1 9 ? 17.650 -5.511 -3.616 1.00 0.00 ? 9 GLU B HA 12 ATOM 16459 H HB2 . GLU B 1 9 ? 19.177 -6.623 -2.117 1.00 0.00 ? 9 GLU B HB2 12 ATOM 16460 H HB3 . GLU B 1 9 ? 19.578 -5.105 -1.325 1.00 0.00 ? 9 GLU B HB3 12 ATOM 16461 H HG2 . GLU B 1 9 ? 17.841 -5.249 0.050 1.00 0.00 ? 9 GLU B HG2 12 ATOM 16462 H HG3 . GLU B 1 9 ? 16.734 -5.666 -1.257 1.00 0.00 ? 9 GLU B HG3 12 ATOM 16463 N N . ILE B 1 10 ? 18.237 -2.468 -2.902 1.00 0.00 ? 10 ILE B N 12 ATOM 16464 C CA . ILE B 1 10 ? 17.676 -1.169 -2.573 1.00 0.00 ? 10 ILE B CA 12 ATOM 16465 C C . ILE B 1 10 ? 16.772 -0.691 -3.705 1.00 0.00 ? 10 ILE B C 12 ATOM 16466 O O . ILE B 1 10 ? 15.778 -0.003 -3.475 1.00 0.00 ? 10 ILE B O 12 ATOM 16467 C CB . ILE B 1 10 ? 18.821 -0.155 -2.308 1.00 0.00 ? 10 ILE B CB 12 ATOM 16468 C CG1 . ILE B 1 10 ? 19.496 -0.466 -0.971 1.00 0.00 ? 10 ILE B CG1 12 ATOM 16469 C CG2 . ILE B 1 10 ? 18.340 1.290 -2.326 1.00 0.00 ? 10 ILE B CG2 12 ATOM 16470 C CD1 . ILE B 1 10 ? 20.781 0.301 -0.751 1.00 0.00 ? 10 ILE B CD1 12 ATOM 16471 H H . ILE B 1 10 ? 19.103 -2.496 -3.343 1.00 0.00 ? 10 ILE B H 12 ATOM 16472 H HA . ILE B 1 10 ? 17.090 -1.273 -1.671 1.00 0.00 ? 10 ILE B HA 12 ATOM 16473 H HB . ILE B 1 10 ? 19.551 -0.268 -3.095 1.00 0.00 ? 10 ILE B HB 12 ATOM 16474 H HG12 . ILE B 1 10 ? 18.819 -0.215 -0.168 1.00 0.00 ? 10 ILE B HG12 12 ATOM 16475 H HG13 . ILE B 1 10 ? 19.724 -1.521 -0.927 1.00 0.00 ? 10 ILE B HG13 12 ATOM 16476 H HG21 . ILE B 1 10 ? 17.276 1.322 -2.492 1.00 0.00 ? 10 ILE B HG21 12 ATOM 16477 H HG22 . ILE B 1 10 ? 18.570 1.754 -1.379 1.00 0.00 ? 10 ILE B HG22 12 ATOM 16478 H HG23 . ILE B 1 10 ? 18.847 1.823 -3.118 1.00 0.00 ? 10 ILE B HG23 12 ATOM 16479 H HD11 . ILE B 1 10 ? 20.738 1.238 -1.286 1.00 0.00 ? 10 ILE B HD11 12 ATOM 16480 H HD12 . ILE B 1 10 ? 20.908 0.494 0.304 1.00 0.00 ? 10 ILE B HD12 12 ATOM 16481 H HD13 . ILE B 1 10 ? 21.615 -0.283 -1.112 1.00 0.00 ? 10 ILE B HD13 12 ATOM 16482 N N . SER B 1 11 ? 17.114 -1.084 -4.927 1.00 0.00 ? 11 SER B N 12 ATOM 16483 C CA . SER B 1 11 ? 16.324 -0.718 -6.092 1.00 0.00 ? 11 SER B CA 12 ATOM 16484 C C . SER B 1 11 ? 15.078 -1.588 -6.159 1.00 0.00 ? 11 SER B C 12 ATOM 16485 O O . SER B 1 11 ? 14.030 -1.161 -6.646 1.00 0.00 ? 11 SER B O 12 ATOM 16486 C CB . SER B 1 11 ? 17.147 -0.876 -7.372 1.00 0.00 ? 11 SER B CB 12 ATOM 16487 O OG . SER B 1 11 ? 16.655 -0.037 -8.402 1.00 0.00 ? 11 SER B OG 12 ATOM 16488 H H . SER B 1 11 ? 17.907 -1.648 -5.045 1.00 0.00 ? 11 SER B H 12 ATOM 16489 H HA . SER B 1 11 ? 16.026 0.314 -5.984 1.00 0.00 ? 11 SER B HA 12 ATOM 16490 H HB2 . SER B 1 11 ? 18.175 -0.613 -7.171 1.00 0.00 ? 11 SER B HB2 12 ATOM 16491 H HB3 . SER B 1 11 ? 17.098 -1.902 -7.704 1.00 0.00 ? 11 SER B HB3 12 ATOM 16492 H HG . SER B 1 11 ? 16.424 0.819 -8.035 1.00 0.00 ? 11 SER B HG 12 ATOM 16493 N N . HIS B 1 12 ? 15.199 -2.809 -5.645 1.00 0.00 ? 12 HIS B N 12 ATOM 16494 C CA . HIS B 1 12 ? 14.085 -3.741 -5.626 1.00 0.00 ? 12 HIS B CA 12 ATOM 16495 C C . HIS B 1 12 ? 13.062 -3.298 -4.577 1.00 0.00 ? 12 HIS B C 12 ATOM 16496 O O . HIS B 1 12 ? 11.870 -3.186 -4.869 1.00 0.00 ? 12 HIS B O 12 ATOM 16497 C CB . HIS B 1 12 ? 14.613 -5.174 -5.376 1.00 0.00 ? 12 HIS B CB 12 ATOM 16498 C CG . HIS B 1 12 ? 13.839 -5.993 -4.381 1.00 0.00 ? 12 HIS B CG 12 ATOM 16499 N ND1 . HIS B 1 12 ? 12.759 -6.780 -4.725 1.00 0.00 ? 12 HIS B ND1 12 ATOM 16500 C CD2 . HIS B 1 12 ? 13.999 -6.140 -3.047 1.00 0.00 ? 12 HIS B CD2 12 ATOM 16501 C CE1 . HIS B 1 12 ? 12.289 -7.375 -3.643 1.00 0.00 ? 12 HIS B CE1 12 ATOM 16502 N NE2 . HIS B 1 12 ? 13.025 -7.003 -2.612 1.00 0.00 ? 12 HIS B NE2 12 ATOM 16503 H H . HIS B 1 12 ? 16.058 -3.085 -5.260 1.00 0.00 ? 12 HIS B H 12 ATOM 16504 H HA . HIS B 1 12 ? 13.614 -3.706 -6.598 1.00 0.00 ? 12 HIS B HA 12 ATOM 16505 H HB2 . HIS B 1 12 ? 14.604 -5.713 -6.310 1.00 0.00 ? 12 HIS B HB2 12 ATOM 16506 H HB3 . HIS B 1 12 ? 15.632 -5.109 -5.024 1.00 0.00 ? 12 HIS B HB3 12 ATOM 16507 H HD1 . HIS B 1 12 ? 12.392 -6.886 -5.628 1.00 0.00 ? 12 HIS B HD1 12 ATOM 16508 H HD2 . HIS B 1 12 ? 14.755 -5.663 -2.438 1.00 0.00 ? 12 HIS B HD2 12 ATOM 16509 H HE1 . HIS B 1 12 ? 11.448 -8.051 -3.607 1.00 0.00 ? 12 HIS B HE1 12 ATOM 16510 H HE2 . HIS B 1 12 ? 12.894 -7.297 -1.687 1.00 0.00 ? 12 HIS B HE2 12 ATOM 16511 N N . HIS B 1 13 ? 13.534 -3.029 -3.360 1.00 0.00 ? 13 HIS B N 12 ATOM 16512 C CA . HIS B 1 13 ? 12.643 -2.584 -2.299 1.00 0.00 ? 13 HIS B CA 12 ATOM 16513 C C . HIS B 1 13 ? 11.926 -1.309 -2.718 1.00 0.00 ? 13 HIS B C 12 ATOM 16514 O O . HIS B 1 13 ? 10.757 -1.110 -2.397 1.00 0.00 ? 13 HIS B O 12 ATOM 16515 C CB . HIS B 1 13 ? 13.411 -2.333 -1.003 1.00 0.00 ? 13 HIS B CB 12 ATOM 16516 C CG . HIS B 1 13 ? 14.103 -3.538 -0.457 1.00 0.00 ? 13 HIS B CG 12 ATOM 16517 N ND1 . HIS B 1 13 ? 13.635 -4.824 -0.628 1.00 0.00 ? 13 HIS B ND1 12 ATOM 16518 C CD2 . HIS B 1 13 ? 15.233 -3.643 0.276 1.00 0.00 ? 13 HIS B CD2 12 ATOM 16519 C CE1 . HIS B 1 13 ? 14.450 -5.670 -0.020 1.00 0.00 ? 13 HIS B CE1 12 ATOM 16520 N NE2 . HIS B 1 13 ? 15.428 -4.977 0.534 1.00 0.00 ? 13 HIS B NE2 12 ATOM 16521 H H . HIS B 1 13 ? 14.496 -3.121 -3.177 1.00 0.00 ? 13 HIS B H 12 ATOM 16522 H HA . HIS B 1 13 ? 11.910 -3.359 -2.131 1.00 0.00 ? 13 HIS B HA 12 ATOM 16523 H HB2 . HIS B 1 13 ? 14.158 -1.574 -1.175 1.00 0.00 ? 13 HIS B HB2 12 ATOM 16524 H HB3 . HIS B 1 13 ? 12.719 -1.983 -0.252 1.00 0.00 ? 13 HIS B HB3 12 ATOM 16525 H HD1 . HIS B 1 13 ? 12.827 -5.080 -1.120 1.00 0.00 ? 13 HIS B HD1 12 ATOM 16526 H HD2 . HIS B 1 13 ? 15.860 -2.825 0.599 1.00 0.00 ? 13 HIS B HD2 12 ATOM 16527 H HE1 . HIS B 1 13 ? 14.335 -6.743 0.017 1.00 0.00 ? 13 HIS B HE1 12 ATOM 16528 H HE2 . HIS B 1 13 ? 16.171 -5.357 1.048 1.00 0.00 ? 13 HIS B HE2 12 ATOM 16529 N N . ALA B 1 14 ? 12.638 -0.448 -3.445 1.00 0.00 ? 14 ALA B N 12 ATOM 16530 C CA . ALA B 1 14 ? 12.066 0.805 -3.914 1.00 0.00 ? 14 ALA B CA 12 ATOM 16531 C C . ALA B 1 14 ? 10.837 0.537 -4.769 1.00 0.00 ? 14 ALA B C 12 ATOM 16532 O O . ALA B 1 14 ? 9.762 1.079 -4.518 1.00 0.00 ? 14 ALA B O 12 ATOM 16533 C CB . ALA B 1 14 ? 13.099 1.601 -4.699 1.00 0.00 ? 14 ALA B CB 12 ATOM 16534 H H . ALA B 1 14 ? 13.567 -0.665 -3.673 1.00 0.00 ? 14 ALA B H 12 ATOM 16535 H HA . ALA B 1 14 ? 11.772 1.386 -3.050 1.00 0.00 ? 14 ALA B HA 12 ATOM 16536 H HB1 . ALA B 1 14 ? 14.087 1.231 -4.470 1.00 0.00 ? 14 ALA B HB1 12 ATOM 16537 H HB2 . ALA B 1 14 ? 12.909 1.493 -5.756 1.00 0.00 ? 14 ALA B HB2 12 ATOM 16538 H HB3 . ALA B 1 14 ? 13.032 2.644 -4.426 1.00 0.00 ? 14 ALA B HB3 12 ATOM 16539 N N . LYS B 1 15 ? 11.000 -0.320 -5.770 1.00 0.00 ? 15 LYS B N 12 ATOM 16540 C CA . LYS B 1 15 ? 9.897 -0.677 -6.648 1.00 0.00 ? 15 LYS B CA 12 ATOM 16541 C C . LYS B 1 15 ? 8.772 -1.327 -5.848 1.00 0.00 ? 15 LYS B C 12 ATOM 16542 O O . LYS B 1 15 ? 7.621 -1.350 -6.282 1.00 0.00 ? 15 LYS B O 12 ATOM 16543 C CB . LYS B 1 15 ? 10.376 -1.627 -7.747 1.00 0.00 ? 15 LYS B CB 12 ATOM 16544 C CG . LYS B 1 15 ? 9.399 -1.761 -8.904 1.00 0.00 ? 15 LYS B CG 12 ATOM 16545 C CD . LYS B 1 15 ? 9.837 -2.840 -9.881 1.00 0.00 ? 15 LYS B CD 12 ATOM 16546 C CE . LYS B 1 15 ? 8.672 -3.725 -10.293 1.00 0.00 ? 15 LYS B CE 12 ATOM 16547 N NZ . LYS B 1 15 ? 8.860 -4.294 -11.655 1.00 0.00 ? 15 LYS B NZ 12 ATOM 16548 H H . LYS B 1 15 ? 11.879 -0.731 -5.911 1.00 0.00 ? 15 LYS B H 12 ATOM 16549 H HA . LYS B 1 15 ? 9.525 0.229 -7.101 1.00 0.00 ? 15 LYS B HA 12 ATOM 16550 H HB2 . LYS B 1 15 ? 11.315 -1.264 -8.137 1.00 0.00 ? 15 LYS B HB2 12 ATOM 16551 H HB3 . LYS B 1 15 ? 10.529 -2.607 -7.319 1.00 0.00 ? 15 LYS B HB3 12 ATOM 16552 H HG2 . LYS B 1 15 ? 8.425 -2.017 -8.513 1.00 0.00 ? 15 LYS B HG2 12 ATOM 16553 H HG3 . LYS B 1 15 ? 9.343 -0.817 -9.426 1.00 0.00 ? 15 LYS B HG3 12 ATOM 16554 H HD2 . LYS B 1 15 ? 10.247 -2.369 -10.762 1.00 0.00 ? 15 LYS B HD2 12 ATOM 16555 H HD3 . LYS B 1 15 ? 10.594 -3.451 -9.411 1.00 0.00 ? 15 LYS B HD3 12 ATOM 16556 H HE2 . LYS B 1 15 ? 8.582 -4.535 -9.583 1.00 0.00 ? 15 LYS B HE2 12 ATOM 16557 H HE3 . LYS B 1 15 ? 7.766 -3.136 -10.279 1.00 0.00 ? 15 LYS B HE3 12 ATOM 16558 H HZ1 . LYS B 1 15 ? 9.872 -4.438 -11.846 1.00 0.00 ? 15 LYS B HZ1 12 ATOM 16559 H HZ2 . LYS B 1 15 ? 8.370 -5.208 -11.731 1.00 0.00 ? 15 LYS B HZ2 12 ATOM 16560 H HZ3 . LYS B 1 15 ? 8.473 -3.645 -12.371 1.00 0.00 ? 15 LYS B HZ3 12 ATOM 16561 N N . GLU B 1 16 ? 9.115 -1.859 -4.674 1.00 0.00 ? 16 GLU B N 12 ATOM 16562 C CA . GLU B 1 16 ? 8.136 -2.510 -3.813 1.00 0.00 ? 16 GLU B CA 12 ATOM 16563 C C . GLU B 1 16 ? 7.262 -1.486 -3.096 1.00 0.00 ? 16 GLU B C 12 ATOM 16564 O O . GLU B 1 16 ? 6.064 -1.702 -2.920 1.00 0.00 ? 16 GLU B O 12 ATOM 16565 C CB . GLU B 1 16 ? 8.840 -3.403 -2.790 1.00 0.00 ? 16 GLU B CB 12 ATOM 16566 C CG . GLU B 1 16 ? 8.767 -4.885 -3.122 1.00 0.00 ? 16 GLU B CG 12 ATOM 16567 C CD . GLU B 1 16 ? 7.348 -5.355 -3.376 1.00 0.00 ? 16 GLU B CD 12 ATOM 16568 O OE1 . GLU B 1 16 ? 6.501 -5.206 -2.470 1.00 0.00 ? 16 GLU B OE1 12 ATOM 16569 O OE2 . GLU B 1 16 ? 7.083 -5.872 -4.482 1.00 0.00 ? 16 GLU B OE2 12 ATOM 16570 H H . GLU B 1 16 ? 10.049 -1.816 -4.381 1.00 0.00 ? 16 GLU B H 12 ATOM 16571 H HA . GLU B 1 16 ? 7.505 -3.125 -4.439 1.00 0.00 ? 16 GLU B HA 12 ATOM 16572 H HB2 . GLU B 1 16 ? 9.880 -3.119 -2.737 1.00 0.00 ? 16 GLU B HB2 12 ATOM 16573 H HB3 . GLU B 1 16 ? 8.384 -3.250 -1.822 1.00 0.00 ? 16 GLU B HB3 12 ATOM 16574 H HG2 . GLU B 1 16 ? 9.355 -5.072 -4.007 1.00 0.00 ? 16 GLU B HG2 12 ATOM 16575 H HG3 . GLU B 1 16 ? 9.174 -5.447 -2.294 1.00 0.00 ? 16 GLU B HG3 12 ATOM 16576 N N . ILE B 1 17 ? 7.862 -0.372 -2.677 1.00 0.00 ? 17 ILE B N 12 ATOM 16577 C CA . ILE B 1 17 ? 7.118 0.670 -1.979 1.00 0.00 ? 17 ILE B CA 12 ATOM 16578 C C . ILE B 1 17 ? 6.173 1.400 -2.933 1.00 0.00 ? 17 ILE B C 12 ATOM 16579 O O . ILE B 1 17 ? 5.080 1.817 -2.546 1.00 0.00 ? 17 ILE B O 12 ATOM 16580 C CB . ILE B 1 17 ? 8.074 1.675 -1.281 1.00 0.00 ? 17 ILE B CB 12 ATOM 16581 C CG1 . ILE B 1 17 ? 8.600 2.737 -2.256 1.00 0.00 ? 17 ILE B CG1 12 ATOM 16582 C CG2 . ILE B 1 17 ? 9.239 0.931 -0.650 1.00 0.00 ? 17 ILE B CG2 12 ATOM 16583 C CD1 . ILE B 1 17 ? 7.844 4.046 -2.190 1.00 0.00 ? 17 ILE B CD1 12 ATOM 16584 H H . ILE B 1 17 ? 8.824 -0.250 -2.836 1.00 0.00 ? 17 ILE B H 12 ATOM 16585 H HA . ILE B 1 17 ? 6.522 0.191 -1.214 1.00 0.00 ? 17 ILE B HA 12 ATOM 16586 H HB . ILE B 1 17 ? 7.526 2.162 -0.488 1.00 0.00 ? 17 ILE B HB 12 ATOM 16587 H HG12 . ILE B 1 17 ? 9.636 2.942 -2.031 1.00 0.00 ? 17 ILE B HG12 12 ATOM 16588 H HG13 . ILE B 1 17 ? 8.525 2.361 -3.266 1.00 0.00 ? 17 ILE B HG13 12 ATOM 16589 H HG21 . ILE B 1 17 ? 9.080 -0.133 -0.745 1.00 0.00 ? 17 ILE B HG21 12 ATOM 16590 H HG22 . ILE B 1 17 ? 10.156 1.204 -1.151 1.00 0.00 ? 17 ILE B HG22 12 ATOM 16591 H HG23 . ILE B 1 17 ? 9.308 1.193 0.394 1.00 0.00 ? 17 ILE B HG23 12 ATOM 16592 H HD11 . ILE B 1 17 ? 7.603 4.270 -1.161 1.00 0.00 ? 17 ILE B HD11 12 ATOM 16593 H HD12 . ILE B 1 17 ? 8.457 4.838 -2.597 1.00 0.00 ? 17 ILE B HD12 12 ATOM 16594 H HD13 . ILE B 1 17 ? 6.933 3.966 -2.764 1.00 0.00 ? 17 ILE B HD13 12 ATOM 16595 N N . GLU B 1 18 ? 6.602 1.547 -4.183 1.00 0.00 ? 18 GLU B N 12 ATOM 16596 C CA . GLU B 1 18 ? 5.795 2.222 -5.193 1.00 0.00 ? 18 GLU B CA 12 ATOM 16597 C C . GLU B 1 18 ? 4.640 1.335 -5.644 1.00 0.00 ? 18 GLU B C 12 ATOM 16598 O O . GLU B 1 18 ? 3.518 1.807 -5.828 1.00 0.00 ? 18 GLU B O 12 ATOM 16599 C CB . GLU B 1 18 ? 6.660 2.605 -6.396 1.00 0.00 ? 18 GLU B CB 12 ATOM 16600 C CG . GLU B 1 18 ? 6.214 3.885 -7.082 1.00 0.00 ? 18 GLU B CG 12 ATOM 16601 C CD . GLU B 1 18 ? 6.625 3.938 -8.541 1.00 0.00 ? 18 GLU B CD 12 ATOM 16602 O OE1 . GLU B 1 18 ? 7.568 3.211 -8.918 1.00 0.00 ? 18 GLU B OE1 12 ATOM 16603 O OE2 . GLU B 1 18 ? 6.004 4.707 -9.305 1.00 0.00 ? 18 GLU B OE2 12 ATOM 16604 H H . GLU B 1 18 ? 7.480 1.191 -4.433 1.00 0.00 ? 18 GLU B H 12 ATOM 16605 H HA . GLU B 1 18 ? 5.391 3.120 -4.749 1.00 0.00 ? 18 GLU B HA 12 ATOM 16606 H HB2 . GLU B 1 18 ? 7.679 2.736 -6.063 1.00 0.00 ? 18 GLU B HB2 12 ATOM 16607 H HB3 . GLU B 1 18 ? 6.627 1.804 -7.119 1.00 0.00 ? 18 GLU B HB3 12 ATOM 16608 H HG2 . GLU B 1 18 ? 5.138 3.954 -7.025 1.00 0.00 ? 18 GLU B HG2 12 ATOM 16609 H HG3 . GLU B 1 18 ? 6.655 4.727 -6.568 1.00 0.00 ? 18 GLU B HG3 12 ATOM 16610 N N . ARG B 1 19 ? 4.922 0.048 -5.815 1.00 0.00 ? 19 ARG B N 12 ATOM 16611 C CA . ARG B 1 19 ? 3.903 -0.903 -6.238 1.00 0.00 ? 19 ARG B CA 12 ATOM 16612 C C . ARG B 1 19 ? 2.867 -1.100 -5.140 1.00 0.00 ? 19 ARG B C 12 ATOM 16613 O O . ARG B 1 19 ? 1.687 -1.322 -5.415 1.00 0.00 ? 19 ARG B O 12 ATOM 16614 C CB . ARG B 1 19 ? 4.542 -2.244 -6.603 1.00 0.00 ? 19 ARG B CB 12 ATOM 16615 C CG . ARG B 1 19 ? 4.893 -2.370 -8.076 1.00 0.00 ? 19 ARG B CG 12 ATOM 16616 C CD . ARG B 1 19 ? 5.070 -3.823 -8.485 1.00 0.00 ? 19 ARG B CD 12 ATOM 16617 N NE . ARG B 1 19 ? 4.527 -4.086 -9.815 1.00 0.00 ? 19 ARG B NE 12 ATOM 16618 C CZ . ARG B 1 19 ? 4.839 -5.157 -10.538 1.00 0.00 ? 19 ARG B CZ 12 ATOM 16619 N NH1 . ARG B 1 19 ? 5.686 -6.059 -10.061 1.00 0.00 ? 19 ARG B NH1 12 ATOM 16620 N NH2 . ARG B 1 19 ? 4.305 -5.327 -11.740 1.00 0.00 ? 19 ARG B NH2 12 ATOM 16621 H H . ARG B 1 19 ? 5.834 -0.270 -5.647 1.00 0.00 ? 19 ARG B H 12 ATOM 16622 H HA . ARG B 1 19 ? 3.413 -0.497 -7.110 1.00 0.00 ? 19 ARG B HA 12 ATOM 16623 H HB2 . ARG B 1 19 ? 5.448 -2.367 -6.028 1.00 0.00 ? 19 ARG B HB2 12 ATOM 16624 H HB3 . ARG B 1 19 ? 3.855 -3.038 -6.350 1.00 0.00 ? 19 ARG B HB3 12 ATOM 16625 H HG2 . ARG B 1 19 ? 4.099 -1.934 -8.665 1.00 0.00 ? 19 ARG B HG2 12 ATOM 16626 H HG3 . ARG B 1 19 ? 5.815 -1.838 -8.263 1.00 0.00 ? 19 ARG B HG3 12 ATOM 16627 H HD2 . ARG B 1 19 ? 6.123 -4.059 -8.484 1.00 0.00 ? 19 ARG B HD2 12 ATOM 16628 H HD3 . ARG B 1 19 ? 4.559 -4.449 -7.768 1.00 0.00 ? 19 ARG B HD3 12 ATOM 16629 H HE . ARG B 1 19 ? 3.899 -3.433 -10.188 1.00 0.00 ? 19 ARG B HE 12 ATOM 16630 H HH11 . ARG B 1 19 ? 6.091 -5.934 -9.155 1.00 0.00 ? 19 ARG B HH11 12 ATOM 16631 H HH12 . ARG B 1 19 ? 5.920 -6.864 -10.606 1.00 0.00 ? 19 ARG B HH12 12 ATOM 16632 H HH21 . ARG B 1 19 ? 3.666 -4.650 -12.103 1.00 0.00 ? 19 ARG B HH21 12 ATOM 16633 H HH22 . ARG B 1 19 ? 4.541 -6.133 -12.282 1.00 0.00 ? 19 ARG B HH22 12 ATOM 16634 N N . LEU B 1 20 ? 3.313 -1.004 -3.892 1.00 0.00 ? 20 LEU B N 12 ATOM 16635 C CA . LEU B 1 20 ? 2.421 -1.160 -2.756 1.00 0.00 ? 20 LEU B CA 12 ATOM 16636 C C . LEU B 1 20 ? 1.422 -0.013 -2.716 1.00 0.00 ? 20 LEU B C 12 ATOM 16637 O O . LEU B 1 20 ? 0.230 -0.223 -2.504 1.00 0.00 ? 20 LEU B O 12 ATOM 16638 C CB . LEU B 1 20 ? 3.219 -1.210 -1.452 1.00 0.00 ? 20 LEU B CB 12 ATOM 16639 C CG . LEU B 1 20 ? 2.913 -2.406 -0.550 1.00 0.00 ? 20 LEU B CG 12 ATOM 16640 C CD1 . LEU B 1 20 ? 1.411 -2.586 -0.394 1.00 0.00 ? 20 LEU B CD1 12 ATOM 16641 C CD2 . LEU B 1 20 ? 3.549 -3.671 -1.109 1.00 0.00 ? 20 LEU B CD2 12 ATOM 16642 H H . LEU B 1 20 ? 4.261 -0.815 -3.733 1.00 0.00 ? 20 LEU B H 12 ATOM 16643 H HA . LEU B 1 20 ? 1.883 -2.089 -2.879 1.00 0.00 ? 20 LEU B HA 12 ATOM 16644 H HB2 . LEU B 1 20 ? 4.271 -1.231 -1.700 1.00 0.00 ? 20 LEU B HB2 12 ATOM 16645 H HB3 . LEU B 1 20 ? 3.016 -0.308 -0.896 1.00 0.00 ? 20 LEU B HB3 12 ATOM 16646 H HG . LEU B 1 20 ? 3.331 -2.226 0.430 1.00 0.00 ? 20 LEU B HG 12 ATOM 16647 H HD11 . LEU B 1 20 ? 0.899 -1.763 -0.872 1.00 0.00 ? 20 LEU B HD11 12 ATOM 16648 H HD12 . LEU B 1 20 ? 1.110 -3.514 -0.857 1.00 0.00 ? 20 LEU B HD12 12 ATOM 16649 H HD13 . LEU B 1 20 ? 1.158 -2.608 0.656 1.00 0.00 ? 20 LEU B HD13 12 ATOM 16650 H HD21 . LEU B 1 20 ? 3.681 -3.566 -2.175 1.00 0.00 ? 20 LEU B HD21 12 ATOM 16651 H HD22 . LEU B 1 20 ? 4.509 -3.828 -0.641 1.00 0.00 ? 20 LEU B HD22 12 ATOM 16652 H HD23 . LEU B 1 20 ? 2.907 -4.516 -0.906 1.00 0.00 ? 20 LEU B HD23 12 ATOM 16653 N N . GLN B 1 21 ? 1.922 1.201 -2.925 1.00 0.00 ? 21 GLN B N 12 ATOM 16654 C CA . GLN B 1 21 ? 1.076 2.388 -2.918 1.00 0.00 ? 21 GLN B CA 12 ATOM 16655 C C . GLN B 1 21 ? -0.041 2.260 -3.948 1.00 0.00 ? 21 GLN B C 12 ATOM 16656 O O . GLN B 1 21 ? -1.207 2.520 -3.649 1.00 0.00 ? 21 GLN B O 12 ATOM 16657 C CB . GLN B 1 21 ? 1.911 3.637 -3.204 1.00 0.00 ? 21 GLN B CB 12 ATOM 16658 C CG . GLN B 1 21 ? 1.083 4.906 -3.334 1.00 0.00 ? 21 GLN B CG 12 ATOM 16659 C CD . GLN B 1 21 ? 0.638 5.452 -1.992 1.00 0.00 ? 21 GLN B CD 12 ATOM 16660 O OE1 . GLN B 1 21 ? -0.494 5.231 -1.563 1.00 0.00 ? 21 GLN B OE1 12 ATOM 16661 N NE2 . GLN B 1 21 ? 1.530 6.171 -1.321 1.00 0.00 ? 21 GLN B NE2 12 ATOM 16662 H H . GLN B 1 21 ? 2.885 1.301 -3.092 1.00 0.00 ? 21 GLN B H 12 ATOM 16663 H HA . GLN B 1 21 ? 0.636 2.475 -1.935 1.00 0.00 ? 21 GLN B HA 12 ATOM 16664 H HB2 . GLN B 1 21 ? 2.617 3.776 -2.399 1.00 0.00 ? 21 GLN B HB2 12 ATOM 16665 H HB3 . GLN B 1 21 ? 2.453 3.490 -4.126 1.00 0.00 ? 21 GLN B HB3 12 ATOM 16666 H HG2 . GLN B 1 21 ? 1.676 5.658 -3.833 1.00 0.00 ? 21 GLN B HG2 12 ATOM 16667 H HG3 . GLN B 1 21 ? 0.206 4.689 -3.928 1.00 0.00 ? 21 GLN B HG3 12 ATOM 16668 H HE21 . GLN B 1 21 ? 2.413 6.308 -1.724 1.00 0.00 ? 21 GLN B HE21 12 ATOM 16669 H HE22 . GLN B 1 21 ? 1.269 6.537 -0.450 1.00 0.00 ? 21 GLN B HE22 12 ATOM 16670 N N . LYS B 1 22 ? 0.320 1.856 -5.160 1.00 0.00 ? 22 LYS B N 12 ATOM 16671 C CA . LYS B 1 22 ? -0.658 1.693 -6.229 1.00 0.00 ? 22 LYS B CA 12 ATOM 16672 C C . LYS B 1 22 ? -1.709 0.660 -5.842 1.00 0.00 ? 22 LYS B C 12 ATOM 16673 O O . LYS B 1 22 ? -2.875 0.770 -6.226 1.00 0.00 ? 22 LYS B O 12 ATOM 16674 C CB . LYS B 1 22 ? 0.036 1.275 -7.527 1.00 0.00 ? 22 LYS B CB 12 ATOM 16675 C CG . LYS B 1 22 ? 0.511 2.448 -8.368 1.00 0.00 ? 22 LYS B CG 12 ATOM 16676 C CD . LYS B 1 22 ? 1.814 2.128 -9.084 1.00 0.00 ? 22 LYS B CD 12 ATOM 16677 C CE . LYS B 1 22 ? 1.661 0.934 -10.010 1.00 0.00 ? 22 LYS B CE 12 ATOM 16678 N NZ . LYS B 1 22 ? 2.278 1.182 -11.343 1.00 0.00 ? 22 LYS B NZ 12 ATOM 16679 H H . LYS B 1 22 ? 1.265 1.661 -5.341 1.00 0.00 ? 22 LYS B H 12 ATOM 16680 H HA . LYS B 1 22 ? -1.145 2.645 -6.381 1.00 0.00 ? 22 LYS B HA 12 ATOM 16681 H HB2 . LYS B 1 22 ? 0.892 0.664 -7.283 1.00 0.00 ? 22 LYS B HB2 12 ATOM 16682 H HB3 . LYS B 1 22 ? -0.654 0.691 -8.118 1.00 0.00 ? 22 LYS B HB3 12 ATOM 16683 H HG2 . LYS B 1 22 ? -0.245 2.680 -9.104 1.00 0.00 ? 22 LYS B HG2 12 ATOM 16684 H HG3 . LYS B 1 22 ? 0.665 3.302 -7.723 1.00 0.00 ? 22 LYS B HG3 12 ATOM 16685 H HD2 . LYS B 1 22 ? 2.113 2.988 -9.665 1.00 0.00 ? 22 LYS B HD2 12 ATOM 16686 H HD3 . LYS B 1 22 ? 2.572 1.908 -8.347 1.00 0.00 ? 22 LYS B HD3 12 ATOM 16687 H HE2 . LYS B 1 22 ? 2.140 0.079 -9.557 1.00 0.00 ? 22 LYS B HE2 12 ATOM 16688 H HE3 . LYS B 1 22 ? 0.609 0.729 -10.142 1.00 0.00 ? 22 LYS B HE3 12 ATOM 16689 H HZ1 . LYS B 1 22 ? 1.841 2.014 -11.790 1.00 0.00 ? 22 LYS B HZ1 12 ATOM 16690 H HZ2 . LYS B 1 22 ? 3.298 1.355 -11.239 1.00 0.00 ? 22 LYS B HZ2 12 ATOM 16691 H HZ3 . LYS B 1 22 ? 2.138 0.358 -11.961 1.00 0.00 ? 22 LYS B HZ3 12 ATOM 16692 N N . GLU B 1 23 ? -1.290 -0.344 -5.079 1.00 0.00 ? 23 GLU B N 12 ATOM 16693 C CA . GLU B 1 23 ? -2.195 -1.398 -4.638 1.00 0.00 ? 23 GLU B CA 12 ATOM 16694 C C . GLU B 1 23 ? -3.235 -0.857 -3.661 1.00 0.00 ? 23 GLU B C 12 ATOM 16695 O O . GLU B 1 23 ? -4.406 -1.240 -3.709 1.00 0.00 ? 23 GLU B O 12 ATOM 16696 C CB . GLU B 1 23 ? -1.407 -2.535 -3.984 1.00 0.00 ? 23 GLU B CB 12 ATOM 16697 C CG . GLU B 1 23 ? -1.744 -3.908 -4.540 1.00 0.00 ? 23 GLU B CG 12 ATOM 16698 C CD . GLU B 1 23 ? -0.561 -4.856 -4.509 1.00 0.00 ? 23 GLU B CD 12 ATOM 16699 O OE1 . GLU B 1 23 ? 0.522 -4.438 -4.049 1.00 0.00 ? 23 GLU B OE1 12 ATOM 16700 O OE2 . GLU B 1 23 ? -0.717 -6.015 -4.945 1.00 0.00 ? 23 GLU B OE2 12 ATOM 16701 H H . GLU B 1 23 ? -0.348 -0.377 -4.806 1.00 0.00 ? 23 GLU B H 12 ATOM 16702 H HA . GLU B 1 23 ? -2.705 -1.783 -5.509 1.00 0.00 ? 23 GLU B HA 12 ATOM 16703 H HB2 . GLU B 1 23 ? -0.352 -2.358 -4.133 1.00 0.00 ? 23 GLU B HB2 12 ATOM 16704 H HB3 . GLU B 1 23 ? -1.616 -2.538 -2.924 1.00 0.00 ? 23 GLU B HB3 12 ATOM 16705 H HG2 . GLU B 1 23 ? -2.543 -4.336 -3.953 1.00 0.00 ? 23 GLU B HG2 12 ATOM 16706 H HG3 . GLU B 1 23 ? -2.071 -3.797 -5.564 1.00 0.00 ? 23 GLU B HG3 12 ATOM 16707 N N . ILE B 1 24 ? -2.806 0.039 -2.775 1.00 0.00 ? 24 ILE B N 12 ATOM 16708 C CA . ILE B 1 24 ? -3.714 0.624 -1.795 1.00 0.00 ? 24 ILE B CA 12 ATOM 16709 C C . ILE B 1 24 ? -4.816 1.417 -2.501 1.00 0.00 ? 24 ILE B C 12 ATOM 16710 O O . ILE B 1 24 ? -5.981 1.368 -2.110 1.00 0.00 ? 24 ILE B O 12 ATOM 16711 C CB . ILE B 1 24 ? -2.967 1.514 -0.749 1.00 0.00 ? 24 ILE B CB 12 ATOM 16712 C CG1 . ILE B 1 24 ? -2.900 2.988 -1.173 1.00 0.00 ? 24 ILE B CG1 12 ATOM 16713 C CG2 . ILE B 1 24 ? -1.563 0.983 -0.492 1.00 0.00 ? 24 ILE B CG2 12 ATOM 16714 C CD1 . ILE B 1 24 ? -4.135 3.773 -0.789 1.00 0.00 ? 24 ILE B CD1 12 ATOM 16715 H H . ILE B 1 24 ? -1.866 0.310 -2.787 1.00 0.00 ? 24 ILE B H 12 ATOM 16716 H HA . ILE B 1 24 ? -4.179 -0.195 -1.260 1.00 0.00 ? 24 ILE B HA 12 ATOM 16717 H HB . ILE B 1 24 ? -3.512 1.449 0.182 1.00 0.00 ? 24 ILE B HB 12 ATOM 16718 H HG12 . ILE B 1 24 ? -2.049 3.456 -0.700 1.00 0.00 ? 24 ILE B HG12 12 ATOM 16719 H HG13 . ILE B 1 24 ? -2.788 3.045 -2.244 1.00 0.00 ? 24 ILE B HG13 12 ATOM 16720 H HG21 . ILE B 1 24 ? -1.602 -0.085 -0.346 1.00 0.00 ? 24 ILE B HG21 12 ATOM 16721 H HG22 . ILE B 1 24 ? -0.935 1.208 -1.340 1.00 0.00 ? 24 ILE B HG22 12 ATOM 16722 H HG23 . ILE B 1 24 ? -1.158 1.453 0.390 1.00 0.00 ? 24 ILE B HG23 12 ATOM 16723 H HD11 . ILE B 1 24 ? -4.839 3.116 -0.296 1.00 0.00 ? 24 ILE B HD11 12 ATOM 16724 H HD12 . ILE B 1 24 ? -3.860 4.573 -0.119 1.00 0.00 ? 24 ILE B HD12 12 ATOM 16725 H HD13 . ILE B 1 24 ? -4.589 4.187 -1.678 1.00 0.00 ? 24 ILE B HD13 12 ATOM 16726 N N . GLU B 1 25 ? -4.428 2.138 -3.551 1.00 0.00 ? 25 GLU B N 12 ATOM 16727 C CA . GLU B 1 25 ? -5.374 2.934 -4.321 1.00 0.00 ? 25 GLU B CA 12 ATOM 16728 C C . GLU B 1 25 ? -6.427 2.035 -4.959 1.00 0.00 ? 25 GLU B C 12 ATOM 16729 O O . GLU B 1 25 ? -7.612 2.366 -4.979 1.00 0.00 ? 25 GLU B O 12 ATOM 16730 C CB . GLU B 1 25 ? -4.644 3.733 -5.402 1.00 0.00 ? 25 GLU B CB 12 ATOM 16731 C CG . GLU B 1 25 ? -5.486 4.841 -6.013 1.00 0.00 ? 25 GLU B CG 12 ATOM 16732 C CD . GLU B 1 25 ? -5.418 6.130 -5.216 1.00 0.00 ? 25 GLU B CD 12 ATOM 16733 O OE1 . GLU B 1 25 ? -4.520 6.251 -4.358 1.00 0.00 ? 25 GLU B OE1 12 ATOM 16734 O OE2 . GLU B 1 25 ? -6.264 7.019 -5.453 1.00 0.00 ? 25 GLU B OE2 12 ATOM 16735 H H . GLU B 1 25 ? -3.484 2.130 -3.816 1.00 0.00 ? 25 GLU B H 12 ATOM 16736 H HA . GLU B 1 25 ? -5.863 3.619 -3.644 1.00 0.00 ? 25 GLU B HA 12 ATOM 16737 H HB2 . GLU B 1 25 ? -3.761 4.179 -4.968 1.00 0.00 ? 25 GLU B HB2 12 ATOM 16738 H HB3 . GLU B 1 25 ? -4.347 3.059 -6.192 1.00 0.00 ? 25 GLU B HB3 12 ATOM 16739 H HG2 . GLU B 1 25 ? -5.131 5.035 -7.013 1.00 0.00 ? 25 GLU B HG2 12 ATOM 16740 H HG3 . GLU B 1 25 ? -6.515 4.513 -6.052 1.00 0.00 ? 25 GLU B HG3 12 ATOM 16741 N N . ARG B 1 26 ? -5.984 0.890 -5.468 1.00 0.00 ? 26 ARG B N 12 ATOM 16742 C CA . ARG B 1 26 ? -6.889 -0.064 -6.096 1.00 0.00 ? 26 ARG B CA 12 ATOM 16743 C C . ARG B 1 26 ? -7.994 -0.458 -5.123 1.00 0.00 ? 26 ARG B C 12 ATOM 16744 O O . ARG B 1 26 ? -9.167 -0.531 -5.492 1.00 0.00 ? 26 ARG B O 12 ATOM 16745 C CB . ARG B 1 26 ? -6.123 -1.307 -6.551 1.00 0.00 ? 26 ARG B CB 12 ATOM 16746 C CG . ARG B 1 26 ? -5.798 -1.310 -8.036 1.00 0.00 ? 26 ARG B CG 12 ATOM 16747 C CD . ARG B 1 26 ? -5.916 -2.705 -8.629 1.00 0.00 ? 26 ARG B CD 12 ATOM 16748 N NE . ARG B 1 26 ? -4.657 -3.158 -9.216 1.00 0.00 ? 26 ARG B NE 12 ATOM 16749 C CZ . ARG B 1 26 ? -4.419 -4.417 -9.563 1.00 0.00 ? 26 ARG B CZ 12 ATOM 16750 N NH1 . ARG B 1 26 ? -5.350 -5.345 -9.384 1.00 0.00 ? 26 ARG B NH1 12 ATOM 16751 N NH2 . ARG B 1 26 ? -3.249 -4.752 -10.092 1.00 0.00 ? 26 ARG B NH2 12 ATOM 16752 H H . ARG B 1 26 ? -5.029 0.679 -5.415 1.00 0.00 ? 26 ARG B H 12 ATOM 16753 H HA . ARG B 1 26 ? -7.334 0.415 -6.955 1.00 0.00 ? 26 ARG B HA 12 ATOM 16754 H HB2 . ARG B 1 26 ? -5.195 -1.366 -6.001 1.00 0.00 ? 26 ARG B HB2 12 ATOM 16755 H HB3 . ARG B 1 26 ? -6.718 -2.182 -6.334 1.00 0.00 ? 26 ARG B HB3 12 ATOM 16756 H HG2 . ARG B 1 26 ? -6.487 -0.654 -8.548 1.00 0.00 ? 26 ARG B HG2 12 ATOM 16757 H HG3 . ARG B 1 26 ? -4.788 -0.953 -8.174 1.00 0.00 ? 26 ARG B HG3 12 ATOM 16758 H HD2 . ARG B 1 26 ? -6.204 -3.391 -7.847 1.00 0.00 ? 26 ARG B HD2 12 ATOM 16759 H HD3 . ARG B 1 26 ? -6.676 -2.693 -9.395 1.00 0.00 ? 26 ARG B HD3 12 ATOM 16760 H HE . ARG B 1 26 ? -3.955 -2.488 -9.357 1.00 0.00 ? 26 ARG B HE 12 ATOM 16761 H HH11 . ARG B 1 26 ? -6.233 -5.096 -8.987 1.00 0.00 ? 26 ARG B HH11 12 ATOM 16762 H HH12 . ARG B 1 26 ? -5.168 -6.292 -9.647 1.00 0.00 ? 26 ARG B HH12 12 ATOM 16763 H HH21 . ARG B 1 26 ? -2.545 -4.055 -10.229 1.00 0.00 ? 26 ARG B HH21 12 ATOM 16764 H HH22 . ARG B 1 26 ? -3.071 -5.701 -10.353 1.00 0.00 ? 26 ARG B HH22 12 ATOM 16765 N N . HIS B 1 27 ? -7.611 -0.696 -3.872 1.00 0.00 ? 27 HIS B N 12 ATOM 16766 C CA . HIS B 1 27 ? -8.570 -1.067 -2.843 1.00 0.00 ? 27 HIS B CA 12 ATOM 16767 C C . HIS B 1 27 ? -9.496 0.104 -2.542 1.00 0.00 ? 27 HIS B C 12 ATOM 16768 O O . HIS B 1 27 ? -10.644 -0.084 -2.140 1.00 0.00 ? 27 HIS B O 12 ATOM 16769 C CB . HIS B 1 27 ? -7.845 -1.506 -1.570 1.00 0.00 ? 27 HIS B CB 12 ATOM 16770 C CG . HIS B 1 27 ? -8.212 -2.885 -1.116 1.00 0.00 ? 27 HIS B CG 12 ATOM 16771 N ND1 . HIS B 1 27 ? -9.286 -3.145 -0.291 1.00 0.00 ? 27 HIS B ND1 12 ATOM 16772 C CD2 . HIS B 1 27 ? -7.641 -4.085 -1.378 1.00 0.00 ? 27 HIS B CD2 12 ATOM 16773 C CE1 . HIS B 1 27 ? -9.360 -4.445 -0.064 1.00 0.00 ? 27 HIS B CE1 12 ATOM 16774 N NE2 . HIS B 1 27 ? -8.374 -5.036 -0.712 1.00 0.00 ? 27 HIS B NE2 12 ATOM 16775 H H . HIS B 1 27 ? -6.662 -0.610 -3.633 1.00 0.00 ? 27 HIS B H 12 ATOM 16776 H HA . HIS B 1 27 ? -9.158 -1.893 -3.218 1.00 0.00 ? 27 HIS B HA 12 ATOM 16777 H HB2 . HIS B 1 27 ? -6.780 -1.488 -1.747 1.00 0.00 ? 27 HIS B HB2 12 ATOM 16778 H HB3 . HIS B 1 27 ? -8.083 -0.817 -0.773 1.00 0.00 ? 27 HIS B HB3 12 ATOM 16779 H HD1 . HIS B 1 27 ? -9.903 -2.476 0.075 1.00 0.00 ? 27 HIS B HD1 12 ATOM 16780 H HD2 . HIS B 1 27 ? -6.771 -4.261 -1.995 1.00 0.00 ? 27 HIS B HD2 12 ATOM 16781 H HE1 . HIS B 1 27 ? -10.101 -4.938 0.546 1.00 0.00 ? 27 HIS B HE1 12 ATOM 16782 H HE2 . HIS B 1 27 ? -8.196 -5.999 -0.716 1.00 0.00 ? 27 HIS B HE2 12 ATOM 16783 N N . LYS B 1 28 ? -8.985 1.315 -2.746 1.00 0.00 ? 28 LYS B N 12 ATOM 16784 C CA . LYS B 1 28 ? -9.761 2.526 -2.505 1.00 0.00 ? 28 LYS B CA 12 ATOM 16785 C C . LYS B 1 28 ? -10.809 2.721 -3.595 1.00 0.00 ? 28 LYS B C 12 ATOM 16786 O O . LYS B 1 28 ? -11.838 3.356 -3.373 1.00 0.00 ? 28 LYS B O 12 ATOM 16787 C CB . LYS B 1 28 ? -8.837 3.744 -2.444 1.00 0.00 ? 28 LYS B CB 12 ATOM 16788 C CG . LYS B 1 28 ? -9.435 4.925 -1.698 1.00 0.00 ? 28 LYS B CG 12 ATOM 16789 C CD . LYS B 1 28 ? -9.801 6.056 -2.644 1.00 0.00 ? 28 LYS B CD 12 ATOM 16790 C CE . LYS B 1 28 ? -8.582 6.879 -3.025 1.00 0.00 ? 28 LYS B CE 12 ATOM 16791 N NZ . LYS B 1 28 ? -8.949 8.078 -3.830 1.00 0.00 ? 28 LYS B NZ 12 ATOM 16792 H H . LYS B 1 28 ? -8.064 1.396 -3.071 1.00 0.00 ? 28 LYS B H 12 ATOM 16793 H HA . LYS B 1 28 ? -10.260 2.417 -1.556 1.00 0.00 ? 28 LYS B HA 12 ATOM 16794 H HB2 . LYS B 1 28 ? -7.919 3.462 -1.952 1.00 0.00 ? 28 LYS B HB2 12 ATOM 16795 H HB3 . LYS B 1 28 ? -8.612 4.061 -3.452 1.00 0.00 ? 28 LYS B HB3 12 ATOM 16796 H HG2 . LYS B 1 28 ? -10.326 4.598 -1.183 1.00 0.00 ? 28 LYS B HG2 12 ATOM 16797 H HG3 . LYS B 1 28 ? -8.715 5.286 -0.980 1.00 0.00 ? 28 LYS B HG3 12 ATOM 16798 H HD2 . LYS B 1 28 ? -10.233 5.637 -3.540 1.00 0.00 ? 28 LYS B HD2 12 ATOM 16799 H HD3 . LYS B 1 28 ? -10.522 6.698 -2.160 1.00 0.00 ? 28 LYS B HD3 12 ATOM 16800 H HE2 . LYS B 1 28 ? -8.086 7.203 -2.122 1.00 0.00 ? 28 LYS B HE2 12 ATOM 16801 H HE3 . LYS B 1 28 ? -7.911 6.261 -3.602 1.00 0.00 ? 28 LYS B HE3 12 ATOM 16802 H HZ1 . LYS B 1 28 ? -9.957 8.040 -4.086 1.00 0.00 ? 28 LYS B HZ1 12 ATOM 16803 H HZ2 . LYS B 1 28 ? -8.774 8.944 -3.282 1.00 0.00 ? 28 LYS B HZ2 12 ATOM 16804 H HZ3 . LYS B 1 28 ? -8.383 8.110 -4.702 1.00 0.00 ? 28 LYS B HZ3 12 ATOM 16805 N N . GLN B 1 29 ? -10.538 2.166 -4.773 1.00 0.00 ? 29 GLN B N 12 ATOM 16806 C CA . GLN B 1 29 ? -11.460 2.275 -5.897 1.00 0.00 ? 29 GLN B CA 12 ATOM 16807 C C . GLN B 1 29 ? -12.631 1.314 -5.726 1.00 0.00 ? 29 GLN B C 12 ATOM 16808 O O . GLN B 1 29 ? -13.774 1.652 -6.032 1.00 0.00 ? 29 GLN B O 12 ATOM 16809 C CB . GLN B 1 29 ? -10.732 1.983 -7.210 1.00 0.00 ? 29 GLN B CB 12 ATOM 16810 C CG . GLN B 1 29 ? -11.490 2.451 -8.442 1.00 0.00 ? 29 GLN B CG 12 ATOM 16811 C CD . GLN B 1 29 ? -11.088 1.699 -9.696 1.00 0.00 ? 29 GLN B CD 12 ATOM 16812 O OE1 . GLN B 1 29 ? -10.895 0.483 -9.669 1.00 0.00 ? 29 GLN B OE1 12 ATOM 16813 N NE2 . GLN B 1 29 ? -10.959 2.420 -10.802 1.00 0.00 ? 29 GLN B NE2 12 ATOM 16814 H H . GLN B 1 29 ? -9.701 1.670 -4.888 1.00 0.00 ? 29 GLN B H 12 ATOM 16815 H HA . GLN B 1 29 ? -11.838 3.286 -5.919 1.00 0.00 ? 29 GLN B HA 12 ATOM 16816 H HB2 . GLN B 1 29 ? -9.773 2.479 -7.195 1.00 0.00 ? 29 GLN B HB2 12 ATOM 16817 H HB3 . GLN B 1 29 ? -10.576 0.918 -7.294 1.00 0.00 ? 29 GLN B HB3 12 ATOM 16818 H HG2 . GLN B 1 29 ? -12.547 2.304 -8.277 1.00 0.00 ? 29 GLN B HG2 12 ATOM 16819 H HG3 . GLN B 1 29 ? -11.293 3.503 -8.592 1.00 0.00 ? 29 GLN B HG3 12 ATOM 16820 H HE21 . GLN B 1 29 ? -11.128 3.384 -10.750 1.00 0.00 ? 29 GLN B HE21 12 ATOM 16821 H HE22 . GLN B 1 29 ? -10.699 1.959 -11.628 1.00 0.00 ? 29 GLN B HE22 12 ATOM 16822 N N . SER B 1 30 ? -12.339 0.114 -5.232 1.00 0.00 ? 30 SER B N 12 ATOM 16823 C CA . SER B 1 30 ? -13.370 -0.895 -5.017 1.00 0.00 ? 30 SER B CA 12 ATOM 16824 C C . SER B 1 30 ? -14.252 -0.523 -3.829 1.00 0.00 ? 30 SER B C 12 ATOM 16825 O O . SER B 1 30 ? -15.459 -0.769 -3.838 1.00 0.00 ? 30 SER B O 12 ATOM 16826 C CB . SER B 1 30 ? -12.733 -2.266 -4.784 1.00 0.00 ? 30 SER B CB 12 ATOM 16827 O OG . SER B 1 30 ? -11.436 -2.140 -4.228 1.00 0.00 ? 30 SER B OG 12 ATOM 16828 H H . SER B 1 30 ? -11.407 -0.095 -5.006 1.00 0.00 ? 30 SER B H 12 ATOM 16829 H HA . SER B 1 30 ? -13.982 -0.937 -5.905 1.00 0.00 ? 30 SER B HA 12 ATOM 16830 H HB2 . SER B 1 30 ? -13.348 -2.836 -4.104 1.00 0.00 ? 30 SER B HB2 12 ATOM 16831 H HB3 . SER B 1 30 ? -12.658 -2.790 -5.726 1.00 0.00 ? 30 SER B HB3 12 ATOM 16832 H HG . SER B 1 30 ? -11.505 -1.825 -3.324 1.00 0.00 ? 30 SER B HG 12 ATOM 16833 N N . ILE B 1 31 ? -13.643 0.071 -2.808 1.00 0.00 ? 31 ILE B N 12 ATOM 16834 C CA . ILE B 1 31 ? -14.371 0.478 -1.613 1.00 0.00 ? 31 ILE B CA 12 ATOM 16835 C C . ILE B 1 31 ? -15.180 1.745 -1.869 1.00 0.00 ? 31 ILE B C 12 ATOM 16836 O O . ILE B 1 31 ? -16.258 1.930 -1.304 1.00 0.00 ? 31 ILE B O 12 ATOM 16837 C CB . ILE B 1 31 ? -13.415 0.717 -0.429 1.00 0.00 ? 31 ILE B CB 12 ATOM 16838 C CG1 . ILE B 1 31 ? -14.223 0.921 0.873 1.00 0.00 ? 31 ILE B CG1 12 ATOM 16839 C CG2 . ILE B 1 31 ? -12.483 1.889 -0.734 1.00 0.00 ? 31 ILE B CG2 12 ATOM 16840 C CD1 . ILE B 1 31 ? -14.248 2.341 1.415 1.00 0.00 ? 31 ILE B CD1 12 ATOM 16841 H H . ILE B 1 31 ? -12.679 0.242 -2.862 1.00 0.00 ? 31 ILE B H 12 ATOM 16842 H HA . ILE B 1 31 ? -15.047 -0.322 -1.347 1.00 0.00 ? 31 ILE B HA 12 ATOM 16843 H HB . ILE B 1 31 ? -12.800 -0.164 -0.320 1.00 0.00 ? 31 ILE B HB 12 ATOM 16844 H HG12 . ILE B 1 31 ? -15.246 0.627 0.695 1.00 0.00 ? 31 ILE B HG12 12 ATOM 16845 H HG13 . ILE B 1 31 ? -13.808 0.284 1.639 1.00 0.00 ? 31 ILE B HG13 12 ATOM 16846 H HG21 . ILE B 1 31 ? -12.104 1.794 -1.740 1.00 0.00 ? 31 ILE B HG21 12 ATOM 16847 H HG22 . ILE B 1 31 ? -13.029 2.816 -0.640 1.00 0.00 ? 31 ILE B HG22 12 ATOM 16848 H HG23 . ILE B 1 31 ? -11.660 1.883 -0.036 1.00 0.00 ? 31 ILE B HG23 12 ATOM 16849 H HD11 . ILE B 1 31 ? -14.389 3.036 0.602 1.00 0.00 ? 31 ILE B HD11 12 ATOM 16850 H HD12 . ILE B 1 31 ? -15.059 2.442 2.122 1.00 0.00 ? 31 ILE B HD12 12 ATOM 16851 H HD13 . ILE B 1 31 ? -13.311 2.551 1.911 1.00 0.00 ? 31 ILE B HD13 12 ATOM 16852 N N . LYS B 1 32 ? -14.653 2.611 -2.728 1.00 0.00 ? 32 LYS B N 12 ATOM 16853 C CA . LYS B 1 32 ? -15.328 3.858 -3.063 1.00 0.00 ? 32 LYS B CA 12 ATOM 16854 C C . LYS B 1 32 ? -16.465 3.607 -4.048 1.00 0.00 ? 32 LYS B C 12 ATOM 16855 O O . LYS B 1 32 ? -17.447 4.350 -4.081 1.00 0.00 ? 32 LYS B O 12 ATOM 16856 C CB . LYS B 1 32 ? -14.334 4.859 -3.656 1.00 0.00 ? 32 LYS B CB 12 ATOM 16857 C CG . LYS B 1 32 ? -14.977 6.159 -4.111 1.00 0.00 ? 32 LYS B CG 12 ATOM 16858 C CD . LYS B 1 32 ? -14.222 7.368 -3.584 1.00 0.00 ? 32 LYS B CD 12 ATOM 16859 C CE . LYS B 1 32 ? -14.748 7.804 -2.226 1.00 0.00 ? 32 LYS B CE 12 ATOM 16860 N NZ . LYS B 1 32 ? -15.179 9.230 -2.228 1.00 0.00 ? 32 LYS B NZ 12 ATOM 16861 H H . LYS B 1 32 ? -13.793 2.404 -3.149 1.00 0.00 ? 32 LYS B H 12 ATOM 16862 H HA . LYS B 1 32 ? -15.739 4.268 -2.153 1.00 0.00 ? 32 LYS B HA 12 ATOM 16863 H HB2 . LYS B 1 32 ? -13.588 5.093 -2.911 1.00 0.00 ? 32 LYS B HB2 12 ATOM 16864 H HB3 . LYS B 1 32 ? -13.850 4.405 -4.507 1.00 0.00 ? 32 LYS B HB3 12 ATOM 16865 H HG2 . LYS B 1 32 ? -14.978 6.190 -5.190 1.00 0.00 ? 32 LYS B HG2 12 ATOM 16866 H HG3 . LYS B 1 32 ? -15.994 6.193 -3.746 1.00 0.00 ? 32 LYS B HG3 12 ATOM 16867 H HD2 . LYS B 1 32 ? -13.177 7.114 -3.488 1.00 0.00 ? 32 LYS B HD2 12 ATOM 16868 H HD3 . LYS B 1 32 ? -14.334 8.183 -4.283 1.00 0.00 ? 32 LYS B HD3 12 ATOM 16869 H HE2 . LYS B 1 32 ? -15.591 7.184 -1.964 1.00 0.00 ? 32 LYS B HE2 12 ATOM 16870 H HE3 . LYS B 1 32 ? -13.965 7.675 -1.493 1.00 0.00 ? 32 LYS B HE3 12 ATOM 16871 H HZ1 . LYS B 1 32 ? -14.726 9.738 -3.015 1.00 0.00 ? 32 LYS B HZ1 12 ATOM 16872 H HZ2 . LYS B 1 32 ? -16.212 9.290 -2.340 1.00 0.00 ? 32 LYS B HZ2 12 ATOM 16873 H HZ3 . LYS B 1 32 ? -14.909 9.687 -1.334 1.00 0.00 ? 32 LYS B HZ3 12 ATOM 16874 N N . LYS B 1 33 ? -16.327 2.553 -4.843 1.00 0.00 ? 33 LYS B N 12 ATOM 16875 C CA . LYS B 1 33 ? -17.343 2.199 -5.825 1.00 0.00 ? 33 LYS B CA 12 ATOM 16876 C C . LYS B 1 33 ? -18.532 1.526 -5.149 1.00 0.00 ? 33 LYS B C 12 ATOM 16877 O O . LYS B 1 33 ? -19.681 1.732 -5.541 1.00 0.00 ? 33 LYS B O 12 ATOM 16878 C CB . LYS B 1 33 ? -16.755 1.272 -6.891 1.00 0.00 ? 33 LYS B CB 12 ATOM 16879 C CG . LYS B 1 33 ? -17.670 1.060 -8.086 1.00 0.00 ? 33 LYS B CG 12 ATOM 16880 C CD . LYS B 1 33 ? -17.388 2.069 -9.188 1.00 0.00 ? 33 LYS B CD 12 ATOM 16881 C CE . LYS B 1 33 ? -18.675 2.644 -9.758 1.00 0.00 ? 33 LYS B CE 12 ATOM 16882 N NZ . LYS B 1 33 ? -19.161 1.864 -10.930 1.00 0.00 ? 33 LYS B NZ 12 ATOM 16883 H H . LYS B 1 33 ? -15.524 1.998 -4.766 1.00 0.00 ? 33 LYS B H 12 ATOM 16884 H HA . LYS B 1 33 ? -17.681 3.109 -6.298 1.00 0.00 ? 33 LYS B HA 12 ATOM 16885 H HB2 . LYS B 1 33 ? -15.827 1.694 -7.246 1.00 0.00 ? 33 LYS B HB2 12 ATOM 16886 H HB3 . LYS B 1 33 ? -16.555 0.310 -6.444 1.00 0.00 ? 33 LYS B HB3 12 ATOM 16887 H HG2 . LYS B 1 33 ? -17.515 0.065 -8.475 1.00 0.00 ? 33 LYS B HG2 12 ATOM 16888 H HG3 . LYS B 1 33 ? -18.696 1.168 -7.766 1.00 0.00 ? 33 LYS B HG3 12 ATOM 16889 H HD2 . LYS B 1 33 ? -16.796 2.875 -8.783 1.00 0.00 ? 33 LYS B HD2 12 ATOM 16890 H HD3 . LYS B 1 33 ? -16.842 1.580 -9.980 1.00 0.00 ? 33 LYS B HD3 12 ATOM 16891 H HE2 . LYS B 1 33 ? -19.433 2.631 -8.989 1.00 0.00 ? 33 LYS B HE2 12 ATOM 16892 H HE3 . LYS B 1 33 ? -18.493 3.664 -10.065 1.00 0.00 ? 33 LYS B HE3 12 ATOM 16893 H HZ1 . LYS B 1 33 ? -18.608 0.989 -11.031 1.00 0.00 ? 33 LYS B HZ1 12 ATOM 16894 H HZ2 . LYS B 1 33 ? -20.163 1.616 -10.804 1.00 0.00 ? 33 LYS B HZ2 12 ATOM 16895 H HZ3 . LYS B 1 33 ? -19.063 2.425 -11.800 1.00 0.00 ? 33 LYS B HZ3 12 ATOM 16896 N N . LEU B 1 34 ? -18.247 0.725 -4.127 1.00 0.00 ? 34 LEU B N 12 ATOM 16897 C CA . LEU B 1 34 ? -19.293 0.026 -3.391 1.00 0.00 ? 34 LEU B CA 12 ATOM 16898 C C . LEU B 1 34 ? -20.093 1.000 -2.534 1.00 0.00 ? 34 LEU B C 12 ATOM 16899 O O . LEU B 1 34 ? -21.311 0.878 -2.411 1.00 0.00 ? 34 LEU B O 12 ATOM 16900 C CB . LEU B 1 34 ? -18.683 -1.066 -2.510 1.00 0.00 ? 34 LEU B CB 12 ATOM 16901 C CG . LEU B 1 34 ? -18.778 -2.484 -3.077 1.00 0.00 ? 34 LEU B CG 12 ATOM 16902 C CD1 . LEU B 1 34 ? -17.696 -3.370 -2.482 1.00 0.00 ? 34 LEU B CD1 12 ATOM 16903 C CD2 . LEU B 1 34 ? -20.156 -3.070 -2.813 1.00 0.00 ? 34 LEU B CD2 12 ATOM 16904 H H . LEU B 1 34 ? -17.312 0.605 -3.860 1.00 0.00 ? 34 LEU B H 12 ATOM 16905 H HA . LEU B 1 34 ? -19.955 -0.432 -4.111 1.00 0.00 ? 34 LEU B HA 12 ATOM 16906 H HB2 . LEU B 1 34 ? -17.640 -0.832 -2.354 1.00 0.00 ? 34 LEU B HB2 12 ATOM 16907 H HB3 . LEU B 1 34 ? -19.185 -1.051 -1.555 1.00 0.00 ? 34 LEU B HB3 12 ATOM 16908 H HG . LEU B 1 34 ? -18.629 -2.448 -4.146 1.00 0.00 ? 34 LEU B HG 12 ATOM 16909 H HD11 . LEU B 1 34 ? -16.804 -2.785 -2.312 1.00 0.00 ? 34 LEU B HD11 12 ATOM 16910 H HD12 . LEU B 1 34 ? -18.041 -3.780 -1.544 1.00 0.00 ? 34 LEU B HD12 12 ATOM 16911 H HD13 . LEU B 1 34 ? -17.472 -4.176 -3.166 1.00 0.00 ? 34 LEU B HD13 12 ATOM 16912 H HD21 . LEU B 1 34 ? -20.913 -2.342 -3.063 1.00 0.00 ? 34 LEU B HD21 12 ATOM 16913 H HD22 . LEU B 1 34 ? -20.294 -3.954 -3.418 1.00 0.00 ? 34 LEU B HD22 12 ATOM 16914 H HD23 . LEU B 1 34 ? -20.241 -3.333 -1.768 1.00 0.00 ? 34 LEU B HD23 12 ATOM 16915 N N . LYS B 1 35 ? -19.399 1.970 -1.945 1.00 0.00 ? 35 LYS B N 12 ATOM 16916 C CA . LYS B 1 35 ? -20.046 2.967 -1.100 1.00 0.00 ? 35 LYS B CA 12 ATOM 16917 C C . LYS B 1 35 ? -20.896 3.917 -1.937 1.00 0.00 ? 35 LYS B C 12 ATOM 16918 O O . LYS B 1 35 ? -21.948 4.377 -1.493 1.00 0.00 ? 35 LYS B O 12 ATOM 16919 C CB . LYS B 1 35 ? -18.998 3.758 -0.316 1.00 0.00 ? 35 LYS B CB 12 ATOM 16920 C CG . LYS B 1 35 ? -19.559 4.463 0.908 1.00 0.00 ? 35 LYS B CG 12 ATOM 16921 C CD . LYS B 1 35 ? -18.784 5.734 1.222 1.00 0.00 ? 35 LYS B CD 12 ATOM 16922 C CE . LYS B 1 35 ? -17.506 5.433 1.988 1.00 0.00 ? 35 LYS B CE 12 ATOM 16923 N NZ . LYS B 1 35 ? -17.779 4.718 3.264 1.00 0.00 ? 35 LYS B NZ 12 ATOM 16924 H H . LYS B 1 35 ? -18.429 2.015 -2.083 1.00 0.00 ? 35 LYS B H 12 ATOM 16925 H HA . LYS B 1 35 ? -20.686 2.447 -0.405 1.00 0.00 ? 35 LYS B HA 12 ATOM 16926 H HB2 . LYS B 1 35 ? -18.221 3.081 0.009 1.00 0.00 ? 35 LYS B HB2 12 ATOM 16927 H HB3 . LYS B 1 35 ? -18.564 4.504 -0.968 1.00 0.00 ? 35 LYS B HB3 12 ATOM 16928 H HG2 . LYS B 1 35 ? -20.591 4.719 0.722 1.00 0.00 ? 35 LYS B HG2 12 ATOM 16929 H HG3 . LYS B 1 35 ? -19.497 3.796 1.755 1.00 0.00 ? 35 LYS B HG3 12 ATOM 16930 H HD2 . LYS B 1 35 ? -18.529 6.227 0.295 1.00 0.00 ? 35 LYS B HD2 12 ATOM 16931 H HD3 . LYS B 1 35 ? -19.408 6.384 1.818 1.00 0.00 ? 35 LYS B HD3 12 ATOM 16932 H HE2 . LYS B 1 35 ? -16.868 4.819 1.370 1.00 0.00 ? 35 LYS B HE2 12 ATOM 16933 H HE3 . LYS B 1 35 ? -17.006 6.365 2.206 1.00 0.00 ? 35 LYS B HE3 12 ATOM 16934 H HZ1 . LYS B 1 35 ? -18.755 4.902 3.576 1.00 0.00 ? 35 LYS B HZ1 12 ATOM 16935 H HZ2 . LYS B 1 35 ? -17.656 3.694 3.133 1.00 0.00 ? 35 LYS B HZ2 12 ATOM 16936 H HZ3 . LYS B 1 35 ? -17.124 5.042 4.004 1.00 0.00 ? 35 LYS B HZ3 12 ATOM 16937 N N . GLN B 1 36 ? -20.435 4.205 -3.149 1.00 0.00 ? 36 GLN B N 12 ATOM 16938 C CA . GLN B 1 36 ? -21.155 5.099 -4.047 1.00 0.00 ? 36 GLN B CA 12 ATOM 16939 C C . GLN B 1 36 ? -22.425 4.437 -4.570 1.00 0.00 ? 36 GLN B C 12 ATOM 16940 O O . GLN B 1 36 ? -23.432 5.104 -4.809 1.00 0.00 ? 36 GLN B O 12 ATOM 16941 C CB . GLN B 1 36 ? -20.260 5.509 -5.219 1.00 0.00 ? 36 GLN B CB 12 ATOM 16942 C CG . GLN B 1 36 ? -20.710 6.785 -5.912 1.00 0.00 ? 36 GLN B CG 12 ATOM 16943 C CD . GLN B 1 36 ? -19.806 7.963 -5.608 1.00 0.00 ? 36 GLN B CD 12 ATOM 16944 O OE1 . GLN B 1 36 ? -19.382 8.157 -4.469 1.00 0.00 ? 36 GLN B OE1 12 ATOM 16945 N NE2 . GLN B 1 36 ? -19.508 8.759 -6.629 1.00 0.00 ? 36 GLN B NE2 12 ATOM 16946 H H . GLN B 1 36 ? -19.590 3.807 -3.446 1.00 0.00 ? 36 GLN B H 12 ATOM 16947 H HA . GLN B 1 36 ? -21.427 5.982 -3.488 1.00 0.00 ? 36 GLN B HA 12 ATOM 16948 H HB2 . GLN B 1 36 ? -19.254 5.659 -4.853 1.00 0.00 ? 36 GLN B HB2 12 ATOM 16949 H HB3 . GLN B 1 36 ? -20.253 4.713 -5.948 1.00 0.00 ? 36 GLN B HB3 12 ATOM 16950 H HG2 . GLN B 1 36 ? -20.712 6.619 -6.979 1.00 0.00 ? 36 GLN B HG2 12 ATOM 16951 H HG3 . GLN B 1 36 ? -21.711 7.023 -5.584 1.00 0.00 ? 36 GLN B HG3 12 ATOM 16952 H HE21 . GLN B 1 36 ? -19.882 8.543 -7.508 1.00 0.00 ? 36 GLN B HE21 12 ATOM 16953 H HE22 . GLN B 1 36 ? -18.925 9.528 -6.460 1.00 0.00 ? 36 GLN B HE22 12 ATOM 16954 N N . SER B 1 37 ? -22.371 3.121 -4.745 1.00 0.00 ? 37 SER B N 12 ATOM 16955 C CA . SER B 1 37 ? -23.517 2.367 -5.239 1.00 0.00 ? 37 SER B CA 12 ATOM 16956 C C . SER B 1 37 ? -24.641 2.350 -4.209 1.00 0.00 ? 37 SER B C 12 ATOM 16957 O O . SER B 1 37 ? -25.817 2.267 -4.560 1.00 0.00 ? 37 SER B O 12 ATOM 16958 C CB . SER B 1 37 ? -23.103 0.935 -5.583 1.00 0.00 ? 37 SER B CB 12 ATOM 16959 O OG . SER B 1 37 ? -22.974 0.146 -4.413 1.00 0.00 ? 37 SER B OG 12 ATOM 16960 H H . SER B 1 37 ? -21.539 2.645 -4.537 1.00 0.00 ? 37 SER B H 12 ATOM 16961 H HA . SER B 1 37 ? -23.873 2.854 -6.134 1.00 0.00 ? 37 SER B HA 12 ATOM 16962 H HB2 . SER B 1 37 ? -23.851 0.489 -6.221 1.00 0.00 ? 37 SER B HB2 12 ATOM 16963 H HB3 . SER B 1 37 ? -22.153 0.951 -6.097 1.00 0.00 ? 37 SER B HB3 12 ATOM 16964 H HG . SER B 1 37 ? -23.052 -0.782 -4.642 1.00 0.00 ? 37 SER B HG 12 ATOM 16965 N N . GLU B 1 38 ? -24.270 2.431 -2.934 1.00 0.00 ? 38 GLU B N 12 ATOM 16966 C CA . GLU B 1 38 ? -25.248 2.426 -1.853 1.00 0.00 ? 38 GLU B CA 12 ATOM 16967 C C . GLU B 1 38 ? -26.093 3.695 -1.877 1.00 0.00 ? 38 GLU B C 12 ATOM 16968 O O . GLU B 1 38 ? -27.240 3.697 -1.430 1.00 0.00 ? 38 GLU B O 12 ATOM 16969 C CB . GLU B 1 38 ? -24.543 2.294 -0.501 1.00 0.00 ? 38 GLU B CB 12 ATOM 16970 C CG . GLU B 1 38 ? -25.162 1.245 0.409 1.00 0.00 ? 38 GLU B CG 12 ATOM 16971 C CD . GLU B 1 38 ? -24.504 1.195 1.774 1.00 0.00 ? 38 GLU B CD 12 ATOM 16972 O OE1 . GLU B 1 38 ? -23.450 1.842 1.948 1.00 0.00 ? 38 GLU B OE1 12 ATOM 16973 O OE2 . GLU B 1 38 ? -25.042 0.510 2.668 1.00 0.00 ? 38 GLU B OE2 12 ATOM 16974 H H . GLU B 1 38 ? -23.316 2.496 -2.718 1.00 0.00 ? 38 GLU B H 12 ATOM 16975 H HA . GLU B 1 38 ? -25.895 1.574 -1.995 1.00 0.00 ? 38 GLU B HA 12 ATOM 16976 H HB2 . GLU B 1 38 ? -23.510 2.027 -0.671 1.00 0.00 ? 38 GLU B HB2 12 ATOM 16977 H HB3 . GLU B 1 38 ? -24.581 3.247 0.006 1.00 0.00 ? 38 GLU B HB3 12 ATOM 16978 H HG2 . GLU B 1 38 ? -26.209 1.474 0.539 1.00 0.00 ? 38 GLU B HG2 12 ATOM 16979 H HG3 . GLU B 1 38 ? -25.062 0.276 -0.060 1.00 0.00 ? 38 GLU B HG3 12 ATOM 16980 N N . ASP B 1 39 ? -25.518 4.772 -2.401 1.00 0.00 ? 39 ASP B N 12 ATOM 16981 C CA . ASP B 1 39 ? -26.219 6.049 -2.484 1.00 0.00 ? 39 ASP B CA 12 ATOM 16982 C C . ASP B 1 39 ? -27.073 6.120 -3.746 1.00 0.00 ? 39 ASP B C 12 ATOM 16983 O O . ASP B 1 39 ? -28.068 6.843 -3.792 1.00 0.00 ? 39 ASP B O 12 ATOM 16984 C CB . ASP B 1 39 ? -25.219 7.206 -2.466 1.00 0.00 ? 39 ASP B CB 12 ATOM 16985 C CG . ASP B 1 39 ? -25.456 8.157 -1.310 1.00 0.00 ? 39 ASP B CG 12 ATOM 16986 O OD1 . ASP B 1 39 ? -25.360 7.714 -0.146 1.00 0.00 ? 39 ASP B OD1 12 ATOM 16987 O OD2 . ASP B 1 39 ? -25.739 9.347 -1.569 1.00 0.00 ? 39 ASP B OD2 12 ATOM 16988 H H . ASP B 1 39 ? -24.601 4.708 -2.741 1.00 0.00 ? 39 ASP B H 12 ATOM 16989 H HA . ASP B 1 39 ? -26.864 6.129 -1.622 1.00 0.00 ? 39 ASP B HA 12 ATOM 16990 H HB2 . ASP B 1 39 ? -24.219 6.808 -2.380 1.00 0.00 ? 39 ASP B HB2 12 ATOM 16991 H HB3 . ASP B 1 39 ? -25.303 7.760 -3.389 1.00 0.00 ? 39 ASP B HB3 12 ATOM 16992 N N . ASP B 1 40 ? -26.678 5.363 -4.765 1.00 0.00 ? 40 ASP B N 12 ATOM 16993 C CA . ASP B 1 40 ? -27.404 5.337 -6.030 1.00 0.00 ? 40 ASP B CA 12 ATOM 16994 C C . ASP B 1 40 ? -27.231 6.651 -6.787 1.00 0.00 ? 40 ASP B C 12 ATOM 16995 O O . ASP B 1 40 ? -26.361 6.769 -7.650 1.00 0.00 ? 40 ASP B O 12 ATOM 16996 C CB . ASP B 1 40 ? -28.889 5.061 -5.786 1.00 0.00 ? 40 ASP B CB 12 ATOM 16997 C CG . ASP B 1 40 ? -29.298 3.668 -6.225 1.00 0.00 ? 40 ASP B CG 12 ATOM 16998 O OD1 . ASP B 1 40 ? -28.784 2.689 -5.645 1.00 0.00 ? 40 ASP B OD1 12 ATOM 16999 O OD2 . ASP B 1 40 ? -30.131 3.556 -7.148 1.00 0.00 ? 40 ASP B OD2 12 ATOM 17000 H H . ASP B 1 40 ? -25.876 4.809 -4.664 1.00 0.00 ? 40 ASP B H 12 ATOM 17001 H HA . ASP B 1 40 ? -26.994 4.537 -6.628 1.00 0.00 ? 40 ASP B HA 12 ATOM 17002 H HB2 . ASP B 1 40 ? -29.101 5.162 -4.732 1.00 0.00 ? 40 ASP B HB2 12 ATOM 17003 H HB3 . ASP B 1 40 ? -29.478 5.779 -6.338 1.00 0.00 ? 40 ASP B HB3 12 ATOM 17004 N N . ASP B 1 41 ? -28.063 7.636 -6.462 1.00 0.00 ? 41 ASP B N 12 ATOM 17005 C CA . ASP B 1 41 ? -27.997 8.939 -7.114 1.00 0.00 ? 41 ASP B CA 12 ATOM 17006 C C . ASP B 1 41 ? -26.825 9.755 -6.582 1.00 0.00 ? 41 ASP B C 12 ATOM 17007 O O . ASP B 1 41 ? -26.182 10.462 -7.386 1.00 0.00 ? 41 ASP B O 12 ATOM 17008 C CB . ASP B 1 41 ? -29.304 9.705 -6.906 1.00 0.00 ? 41 ASP B CB 12 ATOM 17009 C CG . ASP B 1 41 ? -29.749 10.440 -8.155 1.00 0.00 ? 41 ASP B CG 12 ATOM 17010 O OD1 . ASP B 1 41 ? -30.020 9.771 -9.173 1.00 0.00 ? 41 ASP B OD1 12 ATOM 17011 O OD2 . ASP B 1 41 ? -29.827 11.687 -8.112 1.00 0.00 ? 41 ASP B OD2 12 ATOM 17012 O OXT . ASP B 1 41 ? -26.559 9.681 -5.364 1.00 0.00 ? 41 ASP B OXT 12 ATOM 17013 H H . ASP B 1 41 ? -28.737 7.485 -5.767 1.00 0.00 ? 41 ASP B H 12 ATOM 17014 H HA . ASP B 1 41 ? -27.853 8.771 -8.171 1.00 0.00 ? 41 ASP B HA 12 ATOM 17015 H HB2 . ASP B 1 41 ? -30.081 9.009 -6.625 1.00 0.00 ? 41 ASP B HB2 12 ATOM 17016 H HB3 . ASP B 1 41 ? -29.169 10.425 -6.113 1.00 0.00 ? 41 ASP B HB3 12 ATOM 17017 N N . ALA A 1 1 ? -35.703 -7.784 3.183 1.00 0.00 ? 1 ALA A N 13 ATOM 17018 C CA . ALA A 1 1 ? -34.587 -8.126 2.265 1.00 0.00 ? 1 ALA A CA 13 ATOM 17019 C C . ALA A 1 1 ? -33.690 -6.918 2.019 1.00 0.00 ? 1 ALA A C 13 ATOM 17020 O O . ALA A 1 1 ? -33.330 -6.621 0.880 1.00 0.00 ? 1 ALA A O 13 ATOM 17021 C CB . ALA A 1 1 ? -35.133 -8.655 0.946 1.00 0.00 ? 1 ALA A CB 13 ATOM 17022 H H1 . ALA A 1 1 ? -36.178 -6.940 2.805 1.00 0.00 ? 1 ALA A H1 13 ATOM 17023 H H2 . ALA A 1 1 ? -36.352 -8.596 3.211 1.00 0.00 ? 1 ALA A H2 13 ATOM 17024 H H3 . ALA A 1 1 ? -35.294 -7.596 4.122 1.00 0.00 ? 1 ALA A H3 13 ATOM 17025 H HA . ALA A 1 1 ? -33.999 -8.910 2.722 1.00 0.00 ? 1 ALA A HA 13 ATOM 17026 H HB1 . ALA A 1 1 ? -35.809 -9.475 1.140 1.00 0.00 ? 1 ALA A HB1 13 ATOM 17027 H HB2 . ALA A 1 1 ? -34.315 -9.000 0.331 1.00 0.00 ? 1 ALA A HB2 13 ATOM 17028 H HB3 . ALA A 1 1 ? -35.662 -7.865 0.433 1.00 0.00 ? 1 ALA A HB3 13 ATOM 17029 N N . LEU A 1 2 ? -33.332 -6.224 3.095 1.00 0.00 ? 2 LEU A N 13 ATOM 17030 C CA . LEU A 1 2 ? -32.477 -5.048 2.995 1.00 0.00 ? 2 LEU A CA 13 ATOM 17031 C C . LEU A 1 2 ? -31.097 -5.421 2.461 1.00 0.00 ? 2 LEU A C 13 ATOM 17032 O O . LEU A 1 2 ? -30.852 -6.572 2.101 1.00 0.00 ? 2 LEU A O 13 ATOM 17033 C CB . LEU A 1 2 ? -32.341 -4.373 4.362 1.00 0.00 ? 2 LEU A CB 13 ATOM 17034 C CG . LEU A 1 2 ? -33.663 -3.984 5.025 1.00 0.00 ? 2 LEU A CG 13 ATOM 17035 C CD1 . LEU A 1 2 ? -33.981 -4.928 6.176 1.00 0.00 ? 2 LEU A CD1 13 ATOM 17036 C CD2 . LEU A 1 2 ? -33.610 -2.544 5.513 1.00 0.00 ? 2 LEU A CD2 13 ATOM 17037 H H . LEU A 1 2 ? -33.651 -6.511 3.976 1.00 0.00 ? 2 LEU A H 13 ATOM 17038 H HA . LEU A 1 2 ? -32.941 -4.358 2.307 1.00 0.00 ? 2 LEU A HA 13 ATOM 17039 H HB2 . LEU A 1 2 ? -31.814 -5.047 5.022 1.00 0.00 ? 2 LEU A HB2 13 ATOM 17040 H HB3 . LEU A 1 2 ? -31.749 -3.478 4.241 1.00 0.00 ? 2 LEU A HB3 13 ATOM 17041 H HG . LEU A 1 2 ? -34.460 -4.064 4.300 1.00 0.00 ? 2 LEU A HG 13 ATOM 17042 H HD11 . LEU A 1 2 ? -33.427 -5.846 6.051 1.00 0.00 ? 2 LEU A HD11 13 ATOM 17043 H HD12 . LEU A 1 2 ? -33.701 -4.462 7.110 1.00 0.00 ? 2 LEU A HD12 13 ATOM 17044 H HD13 . LEU A 1 2 ? -35.038 -5.143 6.184 1.00 0.00 ? 2 LEU A HD13 13 ATOM 17045 H HD21 . LEU A 1 2 ? -32.708 -2.390 6.085 1.00 0.00 ? 2 LEU A HD21 13 ATOM 17046 H HD22 . LEU A 1 2 ? -33.618 -1.876 4.664 1.00 0.00 ? 2 LEU A HD22 13 ATOM 17047 H HD23 . LEU A 1 2 ? -34.470 -2.343 6.136 1.00 0.00 ? 2 LEU A HD23 13 ATOM 17048 N N . LYS A 1 3 ? -30.201 -4.440 2.414 1.00 0.00 ? 3 LYS A N 13 ATOM 17049 C CA . LYS A 1 3 ? -28.846 -4.667 1.924 1.00 0.00 ? 3 LYS A CA 13 ATOM 17050 C C . LYS A 1 3 ? -27.817 -4.326 2.996 1.00 0.00 ? 3 LYS A C 13 ATOM 17051 O O . LYS A 1 3 ? -27.103 -3.329 2.891 1.00 0.00 ? 3 LYS A O 13 ATOM 17052 C CB . LYS A 1 3 ? -28.590 -3.830 0.670 1.00 0.00 ? 3 LYS A CB 13 ATOM 17053 C CG . LYS A 1 3 ? -29.147 -4.450 -0.600 1.00 0.00 ? 3 LYS A CG 13 ATOM 17054 C CD . LYS A 1 3 ? -30.618 -4.114 -0.786 1.00 0.00 ? 3 LYS A CD 13 ATOM 17055 C CE . LYS A 1 3 ? -31.045 -4.264 -2.237 1.00 0.00 ? 3 LYS A CE 13 ATOM 17056 N NZ . LYS A 1 3 ? -32.112 -5.289 -2.399 1.00 0.00 ? 3 LYS A NZ 13 ATOM 17057 H H . LYS A 1 3 ? -30.457 -3.545 2.716 1.00 0.00 ? 3 LYS A H 13 ATOM 17058 H HA . LYS A 1 3 ? -28.755 -5.713 1.673 1.00 0.00 ? 3 LYS A HA 13 ATOM 17059 H HB2 . LYS A 1 3 ? -29.044 -2.858 0.799 1.00 0.00 ? 3 LYS A HB2 13 ATOM 17060 H HB3 . LYS A 1 3 ? -27.524 -3.705 0.546 1.00 0.00 ? 3 LYS A HB3 13 ATOM 17061 H HG2 . LYS A 1 3 ? -28.593 -4.074 -1.448 1.00 0.00 ? 3 LYS A HG2 13 ATOM 17062 H HG3 . LYS A 1 3 ? -29.037 -5.524 -0.544 1.00 0.00 ? 3 LYS A HG3 13 ATOM 17063 H HD2 . LYS A 1 3 ? -31.209 -4.780 -0.176 1.00 0.00 ? 3 LYS A HD2 13 ATOM 17064 H HD3 . LYS A 1 3 ? -30.785 -3.094 -0.474 1.00 0.00 ? 3 LYS A HD3 13 ATOM 17065 H HE2 . LYS A 1 3 ? -31.415 -3.313 -2.590 1.00 0.00 ? 3 LYS A HE2 13 ATOM 17066 H HE3 . LYS A 1 3 ? -30.186 -4.555 -2.823 1.00 0.00 ? 3 LYS A HE3 13 ATOM 17067 H HZ1 . LYS A 1 3 ? -32.936 -5.044 -1.812 1.00 0.00 ? 3 LYS A HZ1 13 ATOM 17068 H HZ2 . LYS A 1 3 ? -32.413 -5.338 -3.394 1.00 0.00 ? 3 LYS A HZ2 13 ATOM 17069 H HZ3 . LYS A 1 3 ? -31.759 -6.223 -2.107 1.00 0.00 ? 3 LYS A HZ3 13 ATOM 17070 N N . LYS A 1 4 ? -27.744 -5.161 4.027 1.00 0.00 ? 4 LYS A N 13 ATOM 17071 C CA . LYS A 1 4 ? -26.802 -4.949 5.119 1.00 0.00 ? 4 LYS A CA 13 ATOM 17072 C C . LYS A 1 4 ? -25.434 -5.531 4.777 1.00 0.00 ? 4 LYS A C 13 ATOM 17073 O O . LYS A 1 4 ? -24.401 -4.940 5.092 1.00 0.00 ? 4 LYS A O 13 ATOM 17074 C CB . LYS A 1 4 ? -27.330 -5.580 6.408 1.00 0.00 ? 4 LYS A CB 13 ATOM 17075 C CG . LYS A 1 4 ? -27.514 -4.584 7.542 1.00 0.00 ? 4 LYS A CG 13 ATOM 17076 C CD . LYS A 1 4 ? -28.836 -3.845 7.427 1.00 0.00 ? 4 LYS A CD 13 ATOM 17077 C CE . LYS A 1 4 ? -29.218 -3.175 8.737 1.00 0.00 ? 4 LYS A CE 13 ATOM 17078 N NZ . LYS A 1 4 ? -30.650 -3.395 9.077 1.00 0.00 ? 4 LYS A NZ 13 ATOM 17079 H H . LYS A 1 4 ? -28.340 -5.939 4.054 1.00 0.00 ? 4 LYS A H 13 ATOM 17080 H HA . LYS A 1 4 ? -26.699 -3.884 5.265 1.00 0.00 ? 4 LYS A HA 13 ATOM 17081 H HB2 . LYS A 1 4 ? -28.286 -6.040 6.204 1.00 0.00 ? 4 LYS A HB2 13 ATOM 17082 H HB3 . LYS A 1 4 ? -26.637 -6.341 6.734 1.00 0.00 ? 4 LYS A HB3 13 ATOM 17083 H HG2 . LYS A 1 4 ? -27.491 -5.115 8.482 1.00 0.00 ? 4 LYS A HG2 13 ATOM 17084 H HG3 . LYS A 1 4 ? -26.707 -3.867 7.512 1.00 0.00 ? 4 LYS A HG3 13 ATOM 17085 H HD2 . LYS A 1 4 ? -28.749 -3.089 6.660 1.00 0.00 ? 4 LYS A HD2 13 ATOM 17086 H HD3 . LYS A 1 4 ? -29.609 -4.549 7.153 1.00 0.00 ? 4 LYS A HD3 13 ATOM 17087 H HE2 . LYS A 1 4 ? -28.603 -3.583 9.526 1.00 0.00 ? 4 LYS A HE2 13 ATOM 17088 H HE3 . LYS A 1 4 ? -29.035 -2.115 8.651 1.00 0.00 ? 4 LYS A HE3 13 ATOM 17089 H HZ1 . LYS A 1 4 ? -31.142 -3.848 8.280 1.00 0.00 ? 4 LYS A HZ1 13 ATOM 17090 H HZ2 . LYS A 1 4 ? -30.730 -4.009 9.913 1.00 0.00 ? 4 LYS A HZ2 13 ATOM 17091 H HZ3 . LYS A 1 4 ? -31.112 -2.486 9.283 1.00 0.00 ? 4 LYS A HZ3 13 ATOM 17092 N N . HIS A 1 5 ? -25.435 -6.693 4.133 1.00 0.00 ? 5 HIS A N 13 ATOM 17093 C CA . HIS A 1 5 ? -24.195 -7.356 3.749 1.00 0.00 ? 5 HIS A CA 13 ATOM 17094 C C . HIS A 1 5 ? -23.274 -6.395 3.003 1.00 0.00 ? 5 HIS A C 13 ATOM 17095 O O . HIS A 1 5 ? -22.050 -6.491 3.099 1.00 0.00 ? 5 HIS A O 13 ATOM 17096 C CB . HIS A 1 5 ? -24.492 -8.577 2.876 1.00 0.00 ? 5 HIS A CB 13 ATOM 17097 C CG . HIS A 1 5 ? -25.249 -8.248 1.627 1.00 0.00 ? 5 HIS A CG 13 ATOM 17098 N ND1 . HIS A 1 5 ? -26.607 -8.449 1.493 1.00 0.00 ? 5 HIS A ND1 13 ATOM 17099 C CD2 . HIS A 1 5 ? -24.830 -7.731 0.448 1.00 0.00 ? 5 HIS A CD2 13 ATOM 17100 C CE1 . HIS A 1 5 ? -26.990 -8.069 0.288 1.00 0.00 ? 5 HIS A CE1 13 ATOM 17101 N NE2 . HIS A 1 5 ? -25.931 -7.629 -0.365 1.00 0.00 ? 5 HIS A NE2 13 ATOM 17102 H H . HIS A 1 5 ? -26.291 -7.116 3.910 1.00 0.00 ? 5 HIS A H 13 ATOM 17103 H HA . HIS A 1 5 ? -23.700 -7.681 4.651 1.00 0.00 ? 5 HIS A HA 13 ATOM 17104 H HB2 . HIS A 1 5 ? -23.561 -9.040 2.588 1.00 0.00 ? 5 HIS A HB2 13 ATOM 17105 H HB3 . HIS A 1 5 ? -25.079 -9.282 3.446 1.00 0.00 ? 5 HIS A HB3 13 ATOM 17106 H HD1 . HIS A 1 5 ? -27.201 -8.815 2.181 1.00 0.00 ? 5 HIS A HD1 13 ATOM 17107 H HD2 . HIS A 1 5 ? -23.817 -7.449 0.194 1.00 0.00 ? 5 HIS A HD2 13 ATOM 17108 H HE1 . HIS A 1 5 ? -27.998 -8.110 -0.098 1.00 0.00 ? 5 HIS A HE1 13 ATOM 17109 H HE2 . HIS A 1 5 ? -25.934 -7.286 -1.284 1.00 0.00 ? 5 HIS A HE2 13 ATOM 17110 N N . HIS A 1 6 ? -23.870 -5.470 2.259 1.00 0.00 ? 6 HIS A N 13 ATOM 17111 C CA . HIS A 1 6 ? -23.103 -4.492 1.496 1.00 0.00 ? 6 HIS A CA 13 ATOM 17112 C C . HIS A 1 6 ? -22.299 -3.588 2.425 1.00 0.00 ? 6 HIS A C 13 ATOM 17113 O O . HIS A 1 6 ? -21.081 -3.481 2.299 1.00 0.00 ? 6 HIS A O 13 ATOM 17114 C CB . HIS A 1 6 ? -24.035 -3.648 0.624 1.00 0.00 ? 6 HIS A CB 13 ATOM 17115 C CG . HIS A 1 6 ? -23.763 -3.779 -0.843 1.00 0.00 ? 6 HIS A CG 13 ATOM 17116 N ND1 . HIS A 1 6 ? -23.403 -4.970 -1.438 1.00 0.00 ? 6 HIS A ND1 13 ATOM 17117 C CD2 . HIS A 1 6 ? -23.802 -2.860 -1.837 1.00 0.00 ? 6 HIS A CD2 13 ATOM 17118 C CE1 . HIS A 1 6 ? -23.231 -4.778 -2.734 1.00 0.00 ? 6 HIS A CE1 13 ATOM 17119 N NE2 . HIS A 1 6 ? -23.467 -3.508 -3.000 1.00 0.00 ? 6 HIS A NE2 13 ATOM 17120 H H . HIS A 1 6 ? -24.849 -5.443 2.222 1.00 0.00 ? 6 HIS A H 13 ATOM 17121 H HA . HIS A 1 6 ? -22.419 -5.032 0.860 1.00 0.00 ? 6 HIS A HA 13 ATOM 17122 H HB2 . HIS A 1 6 ? -25.055 -3.952 0.801 1.00 0.00 ? 6 HIS A HB2 13 ATOM 17123 H HB3 . HIS A 1 6 ? -23.923 -2.608 0.892 1.00 0.00 ? 6 HIS A HB3 13 ATOM 17124 H HD1 . HIS A 1 6 ? -23.290 -5.829 -0.979 1.00 0.00 ? 6 HIS A HD1 13 ATOM 17125 H HD2 . HIS A 1 6 ? -24.050 -1.814 -1.733 1.00 0.00 ? 6 HIS A HD2 13 ATOM 17126 H HE1 . HIS A 1 6 ? -22.947 -5.532 -3.453 1.00 0.00 ? 6 HIS A HE1 13 ATOM 17127 H HE2 . HIS A 1 6 ? -23.413 -3.094 -3.888 1.00 0.00 ? 6 HIS A HE2 13 ATOM 17128 N N . GLU A 1 7 ? -22.989 -2.943 3.359 1.00 0.00 ? 7 GLU A N 13 ATOM 17129 C CA . GLU A 1 7 ? -22.336 -2.051 4.310 1.00 0.00 ? 7 GLU A CA 13 ATOM 17130 C C . GLU A 1 7 ? -21.161 -2.748 4.988 1.00 0.00 ? 7 GLU A C 13 ATOM 17131 O O . GLU A 1 7 ? -20.224 -2.098 5.450 1.00 0.00 ? 7 GLU A O 13 ATOM 17132 C CB . GLU A 1 7 ? -23.337 -1.570 5.363 1.00 0.00 ? 7 GLU A CB 13 ATOM 17133 C CG . GLU A 1 7 ? -23.013 -0.196 5.925 1.00 0.00 ? 7 GLU A CG 13 ATOM 17134 C CD . GLU A 1 7 ? -24.127 0.355 6.795 1.00 0.00 ? 7 GLU A CD 13 ATOM 17135 O OE1 . GLU A 1 7 ? -25.290 -0.059 6.602 1.00 0.00 ? 7 GLU A OE1 13 ATOM 17136 O OE2 . GLU A 1 7 ? -23.837 1.201 7.666 1.00 0.00 ? 7 GLU A OE2 13 ATOM 17137 H H . GLU A 1 7 ? -23.960 -3.069 3.412 1.00 0.00 ? 7 GLU A H 13 ATOM 17138 H HA . GLU A 1 7 ? -21.965 -1.199 3.762 1.00 0.00 ? 7 GLU A HA 13 ATOM 17139 H HB2 . GLU A 1 7 ? -24.320 -1.531 4.917 1.00 0.00 ? 7 GLU A HB2 13 ATOM 17140 H HB3 . GLU A 1 7 ? -23.349 -2.276 6.179 1.00 0.00 ? 7 GLU A HB3 13 ATOM 17141 H HG2 . GLU A 1 7 ? -22.116 -0.267 6.521 1.00 0.00 ? 7 GLU A HG2 13 ATOM 17142 H HG3 . GLU A 1 7 ? -22.847 0.485 5.104 1.00 0.00 ? 7 GLU A HG3 13 ATOM 17143 N N . ASN A 1 8 ? -21.215 -4.075 5.037 1.00 0.00 ? 8 ASN A N 13 ATOM 17144 C CA . ASN A 1 8 ? -20.150 -4.857 5.652 1.00 0.00 ? 8 ASN A CA 13 ATOM 17145 C C . ASN A 1 8 ? -18.903 -4.830 4.780 1.00 0.00 ? 8 ASN A C 13 ATOM 17146 O O . ASN A 1 8 ? -17.841 -4.379 5.210 1.00 0.00 ? 8 ASN A O 13 ATOM 17147 C CB . ASN A 1 8 ? -20.606 -6.301 5.874 1.00 0.00 ? 8 ASN A CB 13 ATOM 17148 C CG . ASN A 1 8 ? -21.092 -6.543 7.289 1.00 0.00 ? 8 ASN A CG 13 ATOM 17149 O OD1 . ASN A 1 8 ? -21.638 -5.647 7.933 1.00 0.00 ? 8 ASN A OD1 13 ATOM 17150 N ND2 . ASN A 1 8 ? -20.895 -7.760 7.783 1.00 0.00 ? 8 ASN A ND2 13 ATOM 17151 H H . ASN A 1 8 ? -21.985 -4.538 4.646 1.00 0.00 ? 8 ASN A H 13 ATOM 17152 H HA . ASN A 1 8 ? -19.917 -4.409 6.606 1.00 0.00 ? 8 ASN A HA 13 ATOM 17153 H HB2 . ASN A 1 8 ? -21.413 -6.526 5.193 1.00 0.00 ? 8 ASN A HB2 13 ATOM 17154 H HB3 . ASN A 1 8 ? -19.778 -6.968 5.678 1.00 0.00 ? 8 ASN A HB3 13 ATOM 17155 H HD21 . ASN A 1 8 ? -20.453 -8.424 7.214 1.00 0.00 ? 8 ASN A HD21 13 ATOM 17156 H HD22 . ASN A 1 8 ? -21.200 -7.944 8.695 1.00 0.00 ? 8 ASN A HD22 13 ATOM 17157 N N . GLU A 1 9 ? -19.041 -5.299 3.544 1.00 0.00 ? 9 GLU A N 13 ATOM 17158 C CA . GLU A 1 9 ? -17.926 -5.308 2.608 1.00 0.00 ? 9 GLU A CA 13 ATOM 17159 C C . GLU A 1 9 ? -17.356 -3.902 2.448 1.00 0.00 ? 9 GLU A C 13 ATOM 17160 O O . GLU A 1 9 ? -16.206 -3.729 2.046 1.00 0.00 ? 9 GLU A O 13 ATOM 17161 C CB . GLU A 1 9 ? -18.376 -5.848 1.249 1.00 0.00 ? 9 GLU A CB 13 ATOM 17162 C CG . GLU A 1 9 ? -18.214 -7.353 1.109 1.00 0.00 ? 9 GLU A CG 13 ATOM 17163 C CD . GLU A 1 9 ? -18.893 -8.119 2.227 1.00 0.00 ? 9 GLU A CD 13 ATOM 17164 O OE1 . GLU A 1 9 ? -18.532 -7.898 3.401 1.00 0.00 ? 9 GLU A OE1 13 ATOM 17165 O OE2 . GLU A 1 9 ? -19.785 -8.940 1.926 1.00 0.00 ? 9 GLU A OE2 13 ATOM 17166 H H . GLU A 1 9 ? -19.917 -5.635 3.252 1.00 0.00 ? 9 GLU A H 13 ATOM 17167 H HA . GLU A 1 9 ? -17.159 -5.953 3.008 1.00 0.00 ? 9 GLU A HA 13 ATOM 17168 H HB2 . GLU A 1 9 ? -19.418 -5.605 1.104 1.00 0.00 ? 9 GLU A HB2 13 ATOM 17169 H HB3 . GLU A 1 9 ? -17.793 -5.371 0.475 1.00 0.00 ? 9 GLU A HB3 13 ATOM 17170 H HG2 . GLU A 1 9 ? -18.645 -7.662 0.168 1.00 0.00 ? 9 GLU A HG2 13 ATOM 17171 H HG3 . GLU A 1 9 ? -17.161 -7.591 1.116 1.00 0.00 ? 9 GLU A HG3 13 ATOM 17172 N N . ILE A 1 10 ? -18.172 -2.898 2.768 1.00 0.00 ? 10 ILE A N 13 ATOM 17173 C CA . ILE A 1 10 ? -17.755 -1.509 2.664 1.00 0.00 ? 10 ILE A CA 13 ATOM 17174 C C . ILE A 1 10 ? -16.725 -1.171 3.748 1.00 0.00 ? 10 ILE A C 13 ATOM 17175 O O . ILE A 1 10 ? -15.641 -0.670 3.453 1.00 0.00 ? 10 ILE A O 13 ATOM 17176 C CB . ILE A 1 10 ? -19.001 -0.563 2.720 1.00 0.00 ? 10 ILE A CB 13 ATOM 17177 C CG1 . ILE A 1 10 ? -19.058 0.307 1.465 1.00 0.00 ? 10 ILE A CG1 13 ATOM 17178 C CG2 . ILE A 1 10 ? -19.050 0.315 3.974 1.00 0.00 ? 10 ILE A CG2 13 ATOM 17179 C CD1 . ILE A 1 10 ? -20.291 0.060 0.623 1.00 0.00 ? 10 ILE A CD1 13 ATOM 17180 H H . ILE A 1 10 ? -19.077 -3.097 3.082 1.00 0.00 ? 10 ILE A H 13 ATOM 17181 H HA . ILE A 1 10 ? -17.284 -1.385 1.699 1.00 0.00 ? 10 ILE A HA 13 ATOM 17182 H HB . ILE A 1 10 ? -19.880 -1.189 2.735 1.00 0.00 ? 10 ILE A HB 13 ATOM 17183 H HG12 . ILE A 1 10 ? -19.057 1.348 1.754 1.00 0.00 ? 10 ILE A HG12 13 ATOM 17184 H HG13 . ILE A 1 10 ? -18.191 0.107 0.853 1.00 0.00 ? 10 ILE A HG13 13 ATOM 17185 H HG21 . ILE A 1 10 ? -18.156 0.921 4.024 1.00 0.00 ? 10 ILE A HG21 13 ATOM 17186 H HG22 . ILE A 1 10 ? -19.917 0.957 3.931 1.00 0.00 ? 10 ILE A HG22 13 ATOM 17187 H HG23 . ILE A 1 10 ? -19.108 -0.312 4.851 1.00 0.00 ? 10 ILE A HG23 13 ATOM 17188 H HD11 . ILE A 1 10 ? -20.870 -0.742 1.060 1.00 0.00 ? 10 ILE A HD11 13 ATOM 17189 H HD12 . ILE A 1 10 ? -20.889 0.959 0.587 1.00 0.00 ? 10 ILE A HD12 13 ATOM 17190 H HD13 . ILE A 1 10 ? -19.994 -0.215 -0.379 1.00 0.00 ? 10 ILE A HD13 13 ATOM 17191 N N . SER A 1 11 ? -17.075 -1.449 4.999 1.00 0.00 ? 11 SER A N 13 ATOM 17192 C CA . SER A 1 11 ? -16.184 -1.173 6.119 1.00 0.00 ? 11 SER A CA 13 ATOM 17193 C C . SER A 1 11 ? -14.891 -1.974 5.999 1.00 0.00 ? 11 SER A C 13 ATOM 17194 O O . SER A 1 11 ? -13.856 -1.587 6.542 1.00 0.00 ? 11 SER A O 13 ATOM 17195 C CB . SER A 1 11 ? -16.877 -1.497 7.443 1.00 0.00 ? 11 SER A CB 13 ATOM 17196 O OG . SER A 1 11 ? -16.477 -0.599 8.463 1.00 0.00 ? 11 SER A OG 13 ATOM 17197 H H . SER A 1 11 ? -17.954 -1.850 5.174 1.00 0.00 ? 11 SER A H 13 ATOM 17198 H HA . SER A 1 11 ? -15.942 -0.121 6.098 1.00 0.00 ? 11 SER A HA 13 ATOM 17199 H HB2 . SER A 1 11 ? -17.947 -1.422 7.314 1.00 0.00 ? 11 SER A HB2 13 ATOM 17200 H HB3 . SER A 1 11 ? -16.622 -2.503 7.744 1.00 0.00 ? 11 SER A HB3 13 ATOM 17201 H HG . SER A 1 11 ? -17.013 -0.743 9.246 1.00 0.00 ? 11 SER A HG 13 ATOM 17202 N N . HIS A 1 12 ? -14.958 -3.094 5.286 1.00 0.00 ? 12 HIS A N 13 ATOM 17203 C CA . HIS A 1 12 ? -13.793 -3.947 5.100 1.00 0.00 ? 12 HIS A CA 13 ATOM 17204 C C . HIS A 1 12 ? -12.827 -3.319 4.090 1.00 0.00 ? 12 HIS A C 13 ATOM 17205 O O . HIS A 1 12 ? -11.622 -3.254 4.333 1.00 0.00 ? 12 HIS A O 13 ATOM 17206 C CB . HIS A 1 12 ? -14.252 -5.366 4.685 1.00 0.00 ? 12 HIS A CB 13 ATOM 17207 C CG . HIS A 1 12 ? -13.535 -5.973 3.511 1.00 0.00 ? 12 HIS A CG 13 ATOM 17208 N ND1 . HIS A 1 12 ? -12.281 -6.541 3.601 1.00 0.00 ? 12 HIS A ND1 13 ATOM 17209 C CD2 . HIS A 1 12 ? -13.911 -6.097 2.218 1.00 0.00 ? 12 HIS A CD2 13 ATOM 17210 C CE1 . HIS A 1 12 ? -11.917 -6.989 2.412 1.00 0.00 ? 12 HIS A CE1 13 ATOM 17211 N NE2 . HIS A 1 12 ? -12.889 -6.731 1.556 1.00 0.00 ? 12 HIS A NE2 13 ATOM 17212 H H . HIS A 1 12 ? -15.810 -3.353 4.876 1.00 0.00 ? 12 HIS A H 13 ATOM 17213 H HA . HIS A 1 12 ? -13.287 -4.011 6.053 1.00 0.00 ? 12 HIS A HA 13 ATOM 17214 H HB2 . HIS A 1 12 ? -14.112 -6.031 5.523 1.00 0.00 ? 12 HIS A HB2 13 ATOM 17215 H HB3 . HIS A 1 12 ? -15.305 -5.330 4.444 1.00 0.00 ? 12 HIS A HB3 13 ATOM 17216 H HD1 . HIS A 1 12 ? -11.740 -6.608 4.415 1.00 0.00 ? 12 HIS A HD1 13 ATOM 17217 H HD2 . HIS A 1 12 ? -14.843 -5.756 1.787 1.00 0.00 ? 12 HIS A HD2 13 ATOM 17218 H HE1 . HIS A 1 12 ? -10.984 -7.482 2.180 1.00 0.00 ? 12 HIS A HE1 13 ATOM 17219 H HE2 . HIS A 1 12 ? -12.879 -6.958 0.603 1.00 0.00 ? 12 HIS A HE2 13 ATOM 17220 N N . HIS A 1 13 ? -13.359 -2.851 2.963 1.00 0.00 ? 13 HIS A N 13 ATOM 17221 C CA . HIS A 1 13 ? -12.526 -2.226 1.943 1.00 0.00 ? 13 HIS A CA 13 ATOM 17222 C C . HIS A 1 13 ? -11.860 -0.976 2.496 1.00 0.00 ? 13 HIS A C 13 ATOM 17223 O O . HIS A 1 13 ? -10.786 -0.586 2.047 1.00 0.00 ? 13 HIS A O 13 ATOM 17224 C CB . HIS A 1 13 ? -13.350 -1.858 0.712 1.00 0.00 ? 13 HIS A CB 13 ATOM 17225 C CG . HIS A 1 13 ? -14.066 -3.009 0.088 1.00 0.00 ? 13 HIS A CG 13 ATOM 17226 N ND1 . HIS A 1 13 ? -13.599 -4.305 0.122 1.00 0.00 ? 13 HIS A ND1 13 ATOM 17227 C CD2 . HIS A 1 13 ? -15.228 -3.046 -0.600 1.00 0.00 ? 13 HIS A CD2 13 ATOM 17228 C CE1 . HIS A 1 13 ? -14.444 -5.092 -0.520 1.00 0.00 ? 13 HIS A CE1 13 ATOM 17229 N NE2 . HIS A 1 13 ? -15.442 -4.351 -0.966 1.00 0.00 ? 13 HIS A NE2 13 ATOM 17230 H H . HIS A 1 13 ? -14.326 -2.922 2.820 1.00 0.00 ? 13 HIS A H 13 ATOM 17231 H HA . HIS A 1 13 ? -11.761 -2.934 1.658 1.00 0.00 ? 13 HIS A HA 13 ATOM 17232 H HB2 . HIS A 1 13 ? -14.089 -1.127 0.993 1.00 0.00 ? 13 HIS A HB2 13 ATOM 17233 H HB3 . HIS A 1 13 ? -12.694 -1.431 -0.032 1.00 0.00 ? 13 HIS A HB3 13 ATOM 17234 H HD1 . HIS A 1 13 ? -12.770 -4.604 0.551 1.00 0.00 ? 13 HIS A HD1 13 ATOM 17235 H HD2 . HIS A 1 13 ? -15.864 -2.201 -0.819 1.00 0.00 ? 13 HIS A HD2 13 ATOM 17236 H HE1 . HIS A 1 13 ? -14.339 -6.158 -0.656 1.00 0.00 ? 13 HIS A HE1 13 ATOM 17237 H HE2 . HIS A 1 13 ? -16.210 -4.682 -1.478 1.00 0.00 ? 13 HIS A HE2 13 ATOM 17238 N N . ALA A 1 14 ? -12.508 -0.349 3.474 1.00 0.00 ? 14 ALA A N 13 ATOM 17239 C CA . ALA A 1 14 ? -11.974 0.859 4.089 1.00 0.00 ? 14 ALA A CA 13 ATOM 17240 C C . ALA A 1 14 ? -10.730 0.532 4.897 1.00 0.00 ? 14 ALA A C 13 ATOM 17241 O O . ALA A 1 14 ? -9.663 1.099 4.669 1.00 0.00 ? 14 ALA A O 13 ATOM 17242 C CB . ALA A 1 14 ? -13.026 1.519 4.968 1.00 0.00 ? 14 ALA A CB 13 ATOM 17243 H H . ALA A 1 14 ? -13.363 -0.708 3.790 1.00 0.00 ? 14 ALA A H 13 ATOM 17244 H HA . ALA A 1 14 ? -11.708 1.549 3.299 1.00 0.00 ? 14 ALA A HA 13 ATOM 17245 H HB1 . ALA A 1 14 ? -13.599 0.757 5.476 1.00 0.00 ? 14 ALA A HB1 13 ATOM 17246 H HB2 . ALA A 1 14 ? -12.541 2.151 5.697 1.00 0.00 ? 14 ALA A HB2 13 ATOM 17247 H HB3 . ALA A 1 14 ? -13.685 2.116 4.354 1.00 0.00 ? 14 ALA A HB3 13 ATOM 17248 N N . LYS A 1 15 ? -10.868 -0.403 5.829 1.00 0.00 ? 15 LYS A N 13 ATOM 17249 C CA . LYS A 1 15 ? -9.740 -0.820 6.649 1.00 0.00 ? 15 LYS A CA 13 ATOM 17250 C C . LYS A 1 15 ? -8.650 -1.433 5.774 1.00 0.00 ? 15 LYS A C 13 ATOM 17251 O O . LYS A 1 15 ? -7.493 -1.530 6.183 1.00 0.00 ? 15 LYS A O 13 ATOM 17252 C CB . LYS A 1 15 ? -10.193 -1.826 7.709 1.00 0.00 ? 15 LYS A CB 13 ATOM 17253 C CG . LYS A 1 15 ? -9.898 -1.384 9.133 1.00 0.00 ? 15 LYS A CG 13 ATOM 17254 C CD . LYS A 1 15 ? -10.940 -1.909 10.107 1.00 0.00 ? 15 LYS A CD 13 ATOM 17255 C CE . LYS A 1 15 ? -10.914 -1.141 11.418 1.00 0.00 ? 15 LYS A CE 13 ATOM 17256 N NZ . LYS A 1 15 ? -11.498 -1.931 12.537 1.00 0.00 ? 15 LYS A NZ 13 ATOM 17257 H H . LYS A 1 15 ? -11.740 -0.836 5.956 1.00 0.00 ? 15 LYS A H 13 ATOM 17258 H HA . LYS A 1 15 ? -9.343 0.057 7.139 1.00 0.00 ? 15 LYS A HA 13 ATOM 17259 H HB2 . LYS A 1 15 ? -11.258 -1.975 7.615 1.00 0.00 ? 15 LYS A HB2 13 ATOM 17260 H HB3 . LYS A 1 15 ? -9.690 -2.765 7.536 1.00 0.00 ? 15 LYS A HB3 13 ATOM 17261 H HG2 . LYS A 1 15 ? -8.928 -1.759 9.422 1.00 0.00 ? 15 LYS A HG2 13 ATOM 17262 H HG3 . LYS A 1 15 ? -9.894 -0.304 9.171 1.00 0.00 ? 15 LYS A HG3 13 ATOM 17263 H HD2 . LYS A 1 15 ? -11.919 -1.807 9.662 1.00 0.00 ? 15 LYS A HD2 13 ATOM 17264 H HD3 . LYS A 1 15 ? -10.739 -2.952 10.306 1.00 0.00 ? 15 LYS A HD3 13 ATOM 17265 H HE2 . LYS A 1 15 ? -9.890 -0.897 11.658 1.00 0.00 ? 15 LYS A HE2 13 ATOM 17266 H HE3 . LYS A 1 15 ? -11.482 -0.229 11.299 1.00 0.00 ? 15 LYS A HE3 13 ATOM 17267 H HZ1 . LYS A 1 15 ? -11.488 -2.945 12.301 1.00 0.00 ? 15 LYS A HZ1 13 ATOM 17268 H HZ2 . LYS A 1 15 ? -10.946 -1.783 13.406 1.00 0.00 ? 15 LYS A HZ2 13 ATOM 17269 H HZ3 . LYS A 1 15 ? -12.480 -1.637 12.709 1.00 0.00 ? 15 LYS A HZ3 13 ATOM 17270 N N . GLU A 1 16 ? -9.029 -1.846 4.563 1.00 0.00 ? 16 GLU A N 13 ATOM 17271 C CA . GLU A 1 16 ? -8.087 -2.448 3.631 1.00 0.00 ? 16 GLU A CA 13 ATOM 17272 C C . GLU A 1 16 ? -7.248 -1.381 2.935 1.00 0.00 ? 16 GLU A C 13 ATOM 17273 O O . GLU A 1 16 ? -6.060 -1.583 2.694 1.00 0.00 ? 16 GLU A O 13 ATOM 17274 C CB . GLU A 1 16 ? -8.832 -3.287 2.590 1.00 0.00 ? 16 GLU A CB 13 ATOM 17275 C CG . GLU A 1 16 ? -9.259 -4.652 3.103 1.00 0.00 ? 16 GLU A CG 13 ATOM 17276 C CD . GLU A 1 16 ? -8.105 -5.631 3.187 1.00 0.00 ? 16 GLU A CD 13 ATOM 17277 O OE1 . GLU A 1 16 ? -7.315 -5.535 4.150 1.00 0.00 ? 16 GLU A OE1 13 ATOM 17278 O OE2 . GLU A 1 16 ? -7.991 -6.492 2.290 1.00 0.00 ? 16 GLU A OE2 13 ATOM 17279 H H . GLU A 1 16 ? -9.963 -1.745 4.291 1.00 0.00 ? 16 GLU A H 13 ATOM 17280 H HA . GLU A 1 16 ? -7.431 -3.092 4.195 1.00 0.00 ? 16 GLU A HA 13 ATOM 17281 H HB2 . GLU A 1 16 ? -9.716 -2.750 2.279 1.00 0.00 ? 16 GLU A HB2 13 ATOM 17282 H HB3 . GLU A 1 16 ? -8.189 -3.432 1.736 1.00 0.00 ? 16 GLU A HB3 13 ATOM 17283 H HG2 . GLU A 1 16 ? -9.684 -4.536 4.089 1.00 0.00 ? 16 GLU A HG2 13 ATOM 17284 H HG3 . GLU A 1 16 ? -10.007 -5.055 2.436 1.00 0.00 ? 16 GLU A HG3 13 ATOM 17285 N N . ILE A 1 17 ? -7.865 -0.247 2.608 1.00 0.00 ? 17 ILE A N 13 ATOM 17286 C CA . ILE A 1 17 ? -7.146 0.832 1.940 1.00 0.00 ? 17 ILE A CA 13 ATOM 17287 C C . ILE A 1 17 ? -6.205 1.548 2.909 1.00 0.00 ? 17 ILE A C 13 ATOM 17288 O O . ILE A 1 17 ? -5.120 1.989 2.527 1.00 0.00 ? 17 ILE A O 13 ATOM 17289 C CB . ILE A 1 17 ? -8.124 1.841 1.285 1.00 0.00 ? 17 ILE A CB 13 ATOM 17290 C CG1 . ILE A 1 17 ? -8.669 2.853 2.303 1.00 0.00 ? 17 ILE A CG1 13 ATOM 17291 C CG2 . ILE A 1 17 ? -9.272 1.098 0.628 1.00 0.00 ? 17 ILE A CG2 13 ATOM 17292 C CD1 . ILE A 1 17 ? -7.920 4.169 2.307 1.00 0.00 ? 17 ILE A CD1 13 ATOM 17293 H H . ILE A 1 17 ? -8.822 -0.132 2.818 1.00 0.00 ? 17 ILE A H 13 ATOM 17294 H HA . ILE A 1 17 ? -6.549 0.388 1.155 1.00 0.00 ? 17 ILE A HA 13 ATOM 17295 H HB . ILE A 1 17 ? -7.590 2.370 0.509 1.00 0.00 ? 17 ILE A HB 13 ATOM 17296 H HG12 . ILE A 1 17 ? -9.703 3.061 2.076 1.00 0.00 ? 17 ILE A HG12 13 ATOM 17297 H HG13 . ILE A 1 17 ? -8.600 2.429 3.295 1.00 0.00 ? 17 ILE A HG13 13 ATOM 17298 H HG21 . ILE A 1 17 ? -9.086 0.036 0.673 1.00 0.00 ? 17 ILE A HG21 13 ATOM 17299 H HG22 . ILE A 1 17 ? -10.191 1.324 1.147 1.00 0.00 ? 17 ILE A HG22 13 ATOM 17300 H HG23 . ILE A 1 17 ? -9.353 1.406 -0.399 1.00 0.00 ? 17 ILE A HG23 13 ATOM 17301 H HD11 . ILE A 1 17 ? -6.864 3.981 2.425 1.00 0.00 ? 17 ILE A HD11 13 ATOM 17302 H HD12 . ILE A 1 17 ? -8.093 4.684 1.373 1.00 0.00 ? 17 ILE A HD12 13 ATOM 17303 H HD13 . ILE A 1 17 ? -8.272 4.780 3.126 1.00 0.00 ? 17 ILE A HD13 13 ATOM 17304 N N . GLU A 1 18 ? -6.627 1.654 4.165 1.00 0.00 ? 18 GLU A N 13 ATOM 17305 C CA . GLU A 1 18 ? -5.822 2.309 5.188 1.00 0.00 ? 18 GLU A CA 13 ATOM 17306 C C . GLU A 1 18 ? -4.691 1.396 5.649 1.00 0.00 ? 18 GLU A C 13 ATOM 17307 O O . GLU A 1 18 ? -3.587 1.857 5.941 1.00 0.00 ? 18 GLU A O 13 ATOM 17308 C CB . GLU A 1 18 ? -6.695 2.703 6.381 1.00 0.00 ? 18 GLU A CB 13 ATOM 17309 C CG . GLU A 1 18 ? -6.313 4.037 7.001 1.00 0.00 ? 18 GLU A CG 13 ATOM 17310 C CD . GLU A 1 18 ? -7.517 4.828 7.472 1.00 0.00 ? 18 GLU A CD 13 ATOM 17311 O OE1 . GLU A 1 18 ? -8.304 5.279 6.612 1.00 0.00 ? 18 GLU A OE1 13 ATOM 17312 O OE2 . GLU A 1 18 ? -7.673 4.997 8.699 1.00 0.00 ? 18 GLU A OE2 13 ATOM 17313 H H . GLU A 1 18 ? -7.499 1.278 4.410 1.00 0.00 ? 18 GLU A H 13 ATOM 17314 H HA . GLU A 1 18 ? -5.395 3.201 4.754 1.00 0.00 ? 18 GLU A HA 13 ATOM 17315 H HB2 . GLU A 1 18 ? -7.724 2.763 6.056 1.00 0.00 ? 18 GLU A HB2 13 ATOM 17316 H HB3 . GLU A 1 18 ? -6.612 1.940 7.141 1.00 0.00 ? 18 GLU A HB3 13 ATOM 17317 H HG2 . GLU A 1 18 ? -5.668 3.855 7.847 1.00 0.00 ? 18 GLU A HG2 13 ATOM 17318 H HG3 . GLU A 1 18 ? -5.781 4.622 6.265 1.00 0.00 ? 18 GLU A HG3 13 ATOM 17319 N N . ARG A 1 19 ? -4.973 0.099 5.710 1.00 0.00 ? 19 ARG A N 13 ATOM 17320 C CA . ARG A 1 19 ? -3.977 -0.878 6.131 1.00 0.00 ? 19 ARG A CA 13 ATOM 17321 C C . ARG A 1 19 ? -2.925 -1.074 5.046 1.00 0.00 ? 19 ARG A C 13 ATOM 17322 O O . ARG A 1 19 ? -1.756 -1.325 5.339 1.00 0.00 ? 19 ARG A O 13 ATOM 17323 C CB . ARG A 1 19 ? -4.647 -2.214 6.458 1.00 0.00 ? 19 ARG A CB 13 ATOM 17324 C CG . ARG A 1 19 ? -3.710 -3.222 7.102 1.00 0.00 ? 19 ARG A CG 13 ATOM 17325 C CD . ARG A 1 19 ? -4.477 -4.387 7.708 1.00 0.00 ? 19 ARG A CD 13 ATOM 17326 N NE . ARG A 1 19 ? -5.178 -4.004 8.931 1.00 0.00 ? 19 ARG A NE 13 ATOM 17327 C CZ . ARG A 1 19 ? -5.732 -4.877 9.766 1.00 0.00 ? 19 ARG A CZ 13 ATOM 17328 N NH1 . ARG A 1 19 ? -5.666 -6.176 9.509 1.00 0.00 ? 19 ARG A NH1 13 ATOM 17329 N NH2 . ARG A 1 19 ? -6.353 -4.451 10.857 1.00 0.00 ? 19 ARG A NH2 13 ATOM 17330 H H . ARG A 1 19 ? -5.871 -0.209 5.462 1.00 0.00 ? 19 ARG A H 13 ATOM 17331 H HA . ARG A 1 19 ? -3.496 -0.498 7.019 1.00 0.00 ? 19 ARG A HA 13 ATOM 17332 H HB2 . ARG A 1 19 ? -5.470 -2.035 7.134 1.00 0.00 ? 19 ARG A HB2 13 ATOM 17333 H HB3 . ARG A 1 19 ? -5.032 -2.644 5.545 1.00 0.00 ? 19 ARG A HB3 13 ATOM 17334 H HG2 . ARG A 1 19 ? -3.034 -3.602 6.352 1.00 0.00 ? 19 ARG A HG2 13 ATOM 17335 H HG3 . ARG A 1 19 ? -3.147 -2.729 7.881 1.00 0.00 ? 19 ARG A HG3 13 ATOM 17336 H HD2 . ARG A 1 19 ? -5.199 -4.740 6.987 1.00 0.00 ? 19 ARG A HD2 13 ATOM 17337 H HD3 . ARG A 1 19 ? -3.780 -5.179 7.937 1.00 0.00 ? 19 ARG A HD3 13 ATOM 17338 H HE . ARG A 1 19 ? -5.239 -3.048 9.139 1.00 0.00 ? 19 ARG A HE 13 ATOM 17339 H HH11 . ARG A 1 19 ? -5.199 -6.501 8.687 1.00 0.00 ? 19 ARG A HH11 13 ATOM 17340 H HH12 . ARG A 1 19 ? -6.084 -6.832 10.138 1.00 0.00 ? 19 ARG A HH12 13 ATOM 17341 H HH21 . ARG A 1 19 ? -6.404 -3.472 11.053 1.00 0.00 ? 19 ARG A HH21 13 ATOM 17342 H HH22 . ARG A 1 19 ? -6.770 -5.109 11.484 1.00 0.00 ? 19 ARG A HH22 13 ATOM 17343 N N . LEU A 1 20 ? -3.345 -0.949 3.792 1.00 0.00 ? 20 LEU A N 13 ATOM 17344 C CA . LEU A 1 20 ? -2.435 -1.105 2.668 1.00 0.00 ? 20 LEU A CA 13 ATOM 17345 C C . LEU A 1 20 ? -1.475 0.075 2.598 1.00 0.00 ? 20 LEU A C 13 ATOM 17346 O O . LEU A 1 20 ? -0.285 -0.093 2.333 1.00 0.00 ? 20 LEU A O 13 ATOM 17347 C CB . LEU A 1 20 ? -3.218 -1.226 1.360 1.00 0.00 ? 20 LEU A CB 13 ATOM 17348 C CG . LEU A 1 20 ? -3.994 -2.533 1.189 1.00 0.00 ? 20 LEU A CG 13 ATOM 17349 C CD1 . LEU A 1 20 ? -5.191 -2.327 0.274 1.00 0.00 ? 20 LEU A CD1 13 ATOM 17350 C CD2 . LEU A 1 20 ? -3.085 -3.623 0.643 1.00 0.00 ? 20 LEU A CD2 13 ATOM 17351 H H . LEU A 1 20 ? -4.287 -0.740 3.618 1.00 0.00 ? 20 LEU A H 13 ATOM 17352 H HA . LEU A 1 20 ? -1.865 -2.009 2.824 1.00 0.00 ? 20 LEU A HA 13 ATOM 17353 H HB2 . LEU A 1 20 ? -3.919 -0.405 1.306 1.00 0.00 ? 20 LEU A HB2 13 ATOM 17354 H HB3 . LEU A 1 20 ? -2.523 -1.138 0.539 1.00 0.00 ? 20 LEU A HB3 13 ATOM 17355 H HG . LEU A 1 20 ? -4.362 -2.855 2.152 1.00 0.00 ? 20 LEU A HG 13 ATOM 17356 H HD11 . LEU A 1 20 ? -5.392 -1.271 0.176 1.00 0.00 ? 20 LEU A HD11 13 ATOM 17357 H HD12 . LEU A 1 20 ? -4.976 -2.743 -0.699 1.00 0.00 ? 20 LEU A HD12 13 ATOM 17358 H HD13 . LEU A 1 20 ? -6.055 -2.820 0.694 1.00 0.00 ? 20 LEU A HD13 13 ATOM 17359 H HD21 . LEU A 1 20 ? -2.173 -3.180 0.273 1.00 0.00 ? 20 LEU A HD21 13 ATOM 17360 H HD22 . LEU A 1 20 ? -2.852 -4.325 1.430 1.00 0.00 ? 20 LEU A HD22 13 ATOM 17361 H HD23 . LEU A 1 20 ? -3.586 -4.140 -0.163 1.00 0.00 ? 20 LEU A HD23 13 ATOM 17362 N N . GLN A 1 21 ? -2.002 1.271 2.845 1.00 0.00 ? 21 GLN A N 13 ATOM 17363 C CA . GLN A 1 21 ? -1.191 2.482 2.819 1.00 0.00 ? 21 GLN A CA 13 ATOM 17364 C C . GLN A 1 21 ? -0.108 2.427 3.890 1.00 0.00 ? 21 GLN A C 13 ATOM 17365 O O . GLN A 1 21 ? 1.041 2.796 3.647 1.00 0.00 ? 21 GLN A O 13 ATOM 17366 C CB . GLN A 1 21 ? -2.071 3.716 3.028 1.00 0.00 ? 21 GLN A CB 13 ATOM 17367 C CG . GLN A 1 21 ? -1.663 4.905 2.175 1.00 0.00 ? 21 GLN A CG 13 ATOM 17368 C CD . GLN A 1 21 ? -0.589 5.752 2.829 1.00 0.00 ? 21 GLN A CD 13 ATOM 17369 O OE1 . GLN A 1 21 ? -0.882 6.769 3.459 1.00 0.00 ? 21 GLN A OE1 13 ATOM 17370 N NE2 . GLN A 1 21 ? 0.663 5.336 2.684 1.00 0.00 ? 21 GLN A NE2 13 ATOM 17371 H H . GLN A 1 21 ? -2.957 1.340 3.055 1.00 0.00 ? 21 GLN A H 13 ATOM 17372 H HA . GLN A 1 21 ? -0.720 2.546 1.849 1.00 0.00 ? 21 GLN A HA 13 ATOM 17373 H HB2 . GLN A 1 21 ? -3.092 3.460 2.787 1.00 0.00 ? 21 GLN A HB2 13 ATOM 17374 H HB3 . GLN A 1 21 ? -2.017 4.010 4.066 1.00 0.00 ? 21 GLN A HB3 13 ATOM 17375 H HG2 . GLN A 1 21 ? -1.287 4.543 1.229 1.00 0.00 ? 21 GLN A HG2 13 ATOM 17376 H HG3 . GLN A 1 21 ? -2.533 5.523 2.001 1.00 0.00 ? 21 GLN A HG3 13 ATOM 17377 H HE21 . GLN A 1 21 ? 0.822 4.516 2.169 1.00 0.00 ? 21 GLN A HE21 13 ATOM 17378 H HE22 . GLN A 1 21 ? 1.378 5.864 3.097 1.00 0.00 ? 21 GLN A HE22 13 ATOM 17379 N N . LYS A 1 22 ? -0.480 1.958 5.077 1.00 0.00 ? 22 LYS A N 13 ATOM 17380 C CA . LYS A 1 22 ? 0.464 1.851 6.182 1.00 0.00 ? 22 LYS A CA 13 ATOM 17381 C C . LYS A 1 22 ? 1.573 0.860 5.847 1.00 0.00 ? 22 LYS A C 13 ATOM 17382 O O . LYS A 1 22 ? 2.729 1.056 6.222 1.00 0.00 ? 22 LYS A O 13 ATOM 17383 C CB . LYS A 1 22 ? -0.259 1.414 7.459 1.00 0.00 ? 22 LYS A CB 13 ATOM 17384 C CG . LYS A 1 22 ? -1.078 2.521 8.102 1.00 0.00 ? 22 LYS A CG 13 ATOM 17385 C CD . LYS A 1 22 ? -1.877 2.005 9.287 1.00 0.00 ? 22 LYS A CD 13 ATOM 17386 C CE . LYS A 1 22 ? -3.346 1.828 8.935 1.00 0.00 ? 22 LYS A CE 13 ATOM 17387 N NZ . LYS A 1 22 ? -4.238 2.217 10.061 1.00 0.00 ? 22 LYS A NZ 13 ATOM 17388 H H . LYS A 1 22 ? -1.409 1.675 5.211 1.00 0.00 ? 22 LYS A H 13 ATOM 17389 H HA . LYS A 1 22 ? 0.902 2.824 6.341 1.00 0.00 ? 22 LYS A HA 13 ATOM 17390 H HB2 . LYS A 1 22 ? -0.923 0.596 7.220 1.00 0.00 ? 22 LYS A HB2 13 ATOM 17391 H HB3 . LYS A 1 22 ? 0.474 1.076 8.175 1.00 0.00 ? 22 LYS A HB3 13 ATOM 17392 H HG2 . LYS A 1 22 ? -0.412 3.299 8.442 1.00 0.00 ? 22 LYS A HG2 13 ATOM 17393 H HG3 . LYS A 1 22 ? -1.760 2.924 7.366 1.00 0.00 ? 22 LYS A HG3 13 ATOM 17394 H HD2 . LYS A 1 22 ? -1.474 1.052 9.594 1.00 0.00 ? 22 LYS A HD2 13 ATOM 17395 H HD3 . LYS A 1 22 ? -1.794 2.712 10.099 1.00 0.00 ? 22 LYS A HD3 13 ATOM 17396 H HE2 . LYS A 1 22 ? -3.573 2.443 8.078 1.00 0.00 ? 22 LYS A HE2 13 ATOM 17397 H HE3 . LYS A 1 22 ? -3.521 0.790 8.689 1.00 0.00 ? 22 LYS A HE3 13 ATOM 17398 H HZ1 . LYS A 1 22 ? -4.055 3.202 10.338 1.00 0.00 ? 22 LYS A HZ1 13 ATOM 17399 H HZ2 . LYS A 1 22 ? -5.234 2.129 9.775 1.00 0.00 ? 22 LYS A HZ2 13 ATOM 17400 H HZ3 . LYS A 1 22 ? -4.068 1.600 10.881 1.00 0.00 ? 22 LYS A HZ3 13 ATOM 17401 N N . GLU A 1 23 ? 1.212 -0.204 5.137 1.00 0.00 ? 23 GLU A N 13 ATOM 17402 C CA . GLU A 1 23 ? 2.177 -1.226 4.749 1.00 0.00 ? 23 GLU A CA 13 ATOM 17403 C C . GLU A 1 23 ? 3.203 -0.666 3.769 1.00 0.00 ? 23 GLU A C 13 ATOM 17404 O O . GLU A 1 23 ? 4.392 -0.982 3.849 1.00 0.00 ? 23 GLU A O 13 ATOM 17405 C CB . GLU A 1 23 ? 1.458 -2.423 4.123 1.00 0.00 ? 23 GLU A CB 13 ATOM 17406 C CG . GLU A 1 23 ? 1.782 -3.747 4.797 1.00 0.00 ? 23 GLU A CG 13 ATOM 17407 C CD . GLU A 1 23 ? 0.912 -4.883 4.295 1.00 0.00 ? 23 GLU A CD 13 ATOM 17408 O OE1 . GLU A 1 23 ? -0.103 -4.603 3.623 1.00 0.00 ? 23 GLU A OE1 13 ATOM 17409 O OE2 . GLU A 1 23 ? 1.246 -6.055 4.574 1.00 0.00 ? 23 GLU A OE2 13 ATOM 17410 H H . GLU A 1 23 ? 0.274 -0.305 4.868 1.00 0.00 ? 23 GLU A H 13 ATOM 17411 H HA . GLU A 1 23 ? 2.691 -1.553 5.642 1.00 0.00 ? 23 GLU A HA 13 ATOM 17412 H HB2 . GLU A 1 23 ? 0.392 -2.263 4.187 1.00 0.00 ? 23 GLU A HB2 13 ATOM 17413 H HB3 . GLU A 1 23 ? 1.741 -2.494 3.083 1.00 0.00 ? 23 GLU A HB3 13 ATOM 17414 H HG2 . GLU A 1 23 ? 2.815 -3.993 4.602 1.00 0.00 ? 23 GLU A HG2 13 ATOM 17415 H HG3 . GLU A 1 23 ? 1.631 -3.641 5.861 1.00 0.00 ? 23 GLU A HG3 13 ATOM 17416 N N . ILE A 1 24 ? 2.741 0.173 2.846 1.00 0.00 ? 24 ILE A N 13 ATOM 17417 C CA . ILE A 1 24 ? 3.634 0.773 1.859 1.00 0.00 ? 24 ILE A CA 13 ATOM 17418 C C . ILE A 1 24 ? 4.684 1.637 2.558 1.00 0.00 ? 24 ILE A C 13 ATOM 17419 O O . ILE A 1 24 ? 5.857 1.639 2.183 1.00 0.00 ? 24 ILE A O 13 ATOM 17420 C CB . ILE A 1 24 ? 2.861 1.593 0.773 1.00 0.00 ? 24 ILE A CB 13 ATOM 17421 C CG1 . ILE A 1 24 ? 2.745 3.082 1.132 1.00 0.00 ? 24 ILE A CG1 13 ATOM 17422 C CG2 . ILE A 1 24 ? 1.475 1.010 0.538 1.00 0.00 ? 24 ILE A CG2 13 ATOM 17423 C CD1 . ILE A 1 24 ? 3.957 3.889 0.720 1.00 0.00 ? 24 ILE A CD1 13 ATOM 17424 H H . ILE A 1 24 ? 1.788 0.393 2.834 1.00 0.00 ? 24 ILE A H 13 ATOM 17425 H HA . ILE A 1 24 ? 4.147 -0.039 1.357 1.00 0.00 ? 24 ILE A HA 13 ATOM 17426 H HB . ILE A 1 24 ? 3.410 1.504 -0.154 1.00 0.00 ? 24 ILE A HB 13 ATOM 17427 H HG12 . ILE A 1 24 ? 1.883 3.502 0.635 1.00 0.00 ? 24 ILE A HG12 13 ATOM 17428 H HG13 . ILE A 1 24 ? 2.624 3.183 2.200 1.00 0.00 ? 24 ILE A HG13 13 ATOM 17429 H HG21 . ILE A 1 24 ? 1.499 -0.057 0.703 1.00 0.00 ? 24 ILE A HG21 13 ATOM 17430 H HG22 . ILE A 1 24 ? 0.774 1.464 1.222 1.00 0.00 ? 24 ILE A HG22 13 ATOM 17431 H HG23 . ILE A 1 24 ? 1.167 1.211 -0.477 1.00 0.00 ? 24 ILE A HG23 13 ATOM 17432 H HD11 . ILE A 1 24 ? 4.684 3.236 0.258 1.00 0.00 ? 24 ILE A HD11 13 ATOM 17433 H HD12 . ILE A 1 24 ? 3.660 4.653 0.017 1.00 0.00 ? 24 ILE A HD12 13 ATOM 17434 H HD13 . ILE A 1 24 ? 4.395 4.353 1.592 1.00 0.00 ? 24 ILE A HD13 13 ATOM 17435 N N . GLU A 1 25 ? 4.246 2.365 3.583 1.00 0.00 ? 25 GLU A N 13 ATOM 17436 C CA . GLU A 1 25 ? 5.139 3.227 4.347 1.00 0.00 ? 25 GLU A CA 13 ATOM 17437 C C . GLU A 1 25 ? 6.237 2.403 5.005 1.00 0.00 ? 25 GLU A C 13 ATOM 17438 O O . GLU A 1 25 ? 7.403 2.797 5.016 1.00 0.00 ? 25 GLU A O 13 ATOM 17439 C CB . GLU A 1 25 ? 4.355 4.000 5.408 1.00 0.00 ? 25 GLU A CB 13 ATOM 17440 C CG . GLU A 1 25 ? 4.967 5.347 5.757 1.00 0.00 ? 25 GLU A CG 13 ATOM 17441 C CD . GLU A 1 25 ? 4.031 6.222 6.566 1.00 0.00 ? 25 GLU A CD 13 ATOM 17442 O OE1 . GLU A 1 25 ? 3.973 6.047 7.802 1.00 0.00 ? 25 GLU A OE1 13 ATOM 17443 O OE2 . GLU A 1 25 ? 3.354 7.083 5.964 1.00 0.00 ? 25 GLU A OE2 13 ATOM 17444 H H . GLU A 1 25 ? 3.300 2.315 3.835 1.00 0.00 ? 25 GLU A H 13 ATOM 17445 H HA . GLU A 1 25 ? 5.591 3.929 3.661 1.00 0.00 ? 25 GLU A HA 13 ATOM 17446 H HB2 . GLU A 1 25 ? 3.351 4.169 5.047 1.00 0.00 ? 25 GLU A HB2 13 ATOM 17447 H HB3 . GLU A 1 25 ? 4.308 3.406 6.309 1.00 0.00 ? 25 GLU A HB3 13 ATOM 17448 H HG2 . GLU A 1 25 ? 5.867 5.181 6.332 1.00 0.00 ? 25 GLU A HG2 13 ATOM 17449 H HG3 . GLU A 1 25 ? 5.217 5.862 4.841 1.00 0.00 ? 25 GLU A HG3 13 ATOM 17450 N N . ARG A 1 26 ? 5.857 1.250 5.546 1.00 0.00 ? 26 ARG A N 13 ATOM 17451 C CA . ARG A 1 26 ? 6.814 0.363 6.195 1.00 0.00 ? 26 ARG A CA 13 ATOM 17452 C C . ARG A 1 26 ? 7.943 0.019 5.232 1.00 0.00 ? 26 ARG A C 13 ATOM 17453 O O . ARG A 1 26 ? 9.121 0.045 5.598 1.00 0.00 ? 26 ARG A O 13 ATOM 17454 C CB . ARG A 1 26 ? 6.121 -0.915 6.671 1.00 0.00 ? 26 ARG A CB 13 ATOM 17455 C CG . ARG A 1 26 ? 6.748 -1.518 7.918 1.00 0.00 ? 26 ARG A CG 13 ATOM 17456 C CD . ARG A 1 26 ? 6.262 -2.939 8.154 1.00 0.00 ? 26 ARG A CD 13 ATOM 17457 N NE . ARG A 1 26 ? 7.367 -3.862 8.399 1.00 0.00 ? 26 ARG A NE 13 ATOM 17458 C CZ . ARG A 1 26 ? 7.201 -5.144 8.702 1.00 0.00 ? 26 ARG A CZ 13 ATOM 17459 N NH1 . ARG A 1 26 ? 5.981 -5.653 8.798 1.00 0.00 ? 26 ARG A NH1 13 ATOM 17460 N NH2 . ARG A 1 26 ? 8.256 -5.920 8.910 1.00 0.00 ? 26 ARG A NH2 13 ATOM 17461 H H . ARG A 1 26 ? 4.914 0.985 5.500 1.00 0.00 ? 26 ARG A H 13 ATOM 17462 H HA . ARG A 1 26 ? 7.226 0.883 7.048 1.00 0.00 ? 26 ARG A HA 13 ATOM 17463 H HB2 . ARG A 1 26 ? 5.087 -0.691 6.887 1.00 0.00 ? 26 ARG A HB2 13 ATOM 17464 H HB3 . ARG A 1 26 ? 6.165 -1.650 5.882 1.00 0.00 ? 26 ARG A HB3 13 ATOM 17465 H HG2 . ARG A 1 26 ? 7.821 -1.531 7.799 1.00 0.00 ? 26 ARG A HG2 13 ATOM 17466 H HG3 . ARG A 1 26 ? 6.485 -0.910 8.771 1.00 0.00 ? 26 ARG A HG3 13 ATOM 17467 H HD2 . ARG A 1 26 ? 5.606 -2.944 9.012 1.00 0.00 ? 26 ARG A HD2 13 ATOM 17468 H HD3 . ARG A 1 26 ? 5.716 -3.268 7.281 1.00 0.00 ? 26 ARG A HD3 13 ATOM 17469 H HE . ARG A 1 26 ? 8.278 -3.506 8.333 1.00 0.00 ? 26 ARG A HE 13 ATOM 17470 H HH11 . ARG A 1 26 ? 5.183 -5.071 8.642 1.00 0.00 ? 26 ARG A HH11 13 ATOM 17471 H HH12 . ARG A 1 26 ? 5.858 -6.619 9.026 1.00 0.00 ? 26 ARG A HH12 13 ATOM 17472 H HH21 . ARG A 1 26 ? 9.179 -5.540 8.839 1.00 0.00 ? 26 ARG A HH21 13 ATOM 17473 H HH22 . ARG A 1 26 ? 8.130 -6.885 9.139 1.00 0.00 ? 26 ARG A HH22 13 ATOM 17474 N N . HIS A 1 27 ? 7.578 -0.283 3.990 1.00 0.00 ? 27 HIS A N 13 ATOM 17475 C CA . HIS A 1 27 ? 8.563 -0.608 2.977 1.00 0.00 ? 27 HIS A CA 13 ATOM 17476 C C . HIS A 1 27 ? 9.414 0.617 2.683 1.00 0.00 ? 27 HIS A C 13 ATOM 17477 O O . HIS A 1 27 ? 10.586 0.502 2.330 1.00 0.00 ? 27 HIS A O 13 ATOM 17478 C CB . HIS A 1 27 ? 7.879 -1.094 1.698 1.00 0.00 ? 27 HIS A CB 13 ATOM 17479 C CG . HIS A 1 27 ? 8.341 -2.445 1.249 1.00 0.00 ? 27 HIS A CG 13 ATOM 17480 N ND1 . HIS A 1 27 ? 9.422 -2.632 0.413 1.00 0.00 ? 27 HIS A ND1 13 ATOM 17481 C CD2 . HIS A 1 27 ? 7.864 -3.683 1.526 1.00 0.00 ? 27 HIS A CD2 13 ATOM 17482 C CE1 . HIS A 1 27 ? 9.589 -3.925 0.194 1.00 0.00 ? 27 HIS A CE1 13 ATOM 17483 N NE2 . HIS A 1 27 ? 8.658 -4.583 0.859 1.00 0.00 ? 27 HIS A NE2 13 ATOM 17484 H H . HIS A 1 27 ? 6.626 -0.269 3.747 1.00 0.00 ? 27 HIS A H 13 ATOM 17485 H HA . HIS A 1 27 ? 9.196 -1.393 3.363 1.00 0.00 ? 27 HIS A HA 13 ATOM 17486 H HB2 . HIS A 1 27 ? 6.814 -1.146 1.865 1.00 0.00 ? 27 HIS A HB2 13 ATOM 17487 H HB3 . HIS A 1 27 ? 8.079 -0.392 0.902 1.00 0.00 ? 27 HIS A HB3 13 ATOM 17488 H HD1 . HIS A 1 27 ? 9.983 -1.923 0.035 1.00 0.00 ? 27 HIS A HD1 13 ATOM 17489 H HD2 . HIS A 1 27 ? 7.017 -3.917 2.156 1.00 0.00 ? 27 HIS A HD2 13 ATOM 17490 H HE1 . HIS A 1 27 ? 10.357 -4.368 -0.423 1.00 0.00 ? 27 HIS A HE1 13 ATOM 17491 H HE2 . HIS A 1 27 ? 8.552 -5.557 0.871 1.00 0.00 ? 27 HIS A HE2 13 ATOM 17492 N N . LYS A 1 28 ? 8.809 1.792 2.837 1.00 0.00 ? 28 LYS A N 13 ATOM 17493 C CA . LYS A 1 28 ? 9.499 3.052 2.598 1.00 0.00 ? 28 LYS A CA 13 ATOM 17494 C C . LYS A 1 28 ? 10.585 3.281 3.642 1.00 0.00 ? 28 LYS A C 13 ATOM 17495 O O . LYS A 1 28 ? 11.563 3.985 3.394 1.00 0.00 ? 28 LYS A O 13 ATOM 17496 C CB . LYS A 1 28 ? 8.504 4.214 2.617 1.00 0.00 ? 28 LYS A CB 13 ATOM 17497 C CG . LYS A 1 28 ? 9.083 5.519 2.098 1.00 0.00 ? 28 LYS A CG 13 ATOM 17498 C CD . LYS A 1 28 ? 9.300 6.520 3.222 1.00 0.00 ? 28 LYS A CD 13 ATOM 17499 C CE . LYS A 1 28 ? 7.979 7.023 3.780 1.00 0.00 ? 28 LYS A CE 13 ATOM 17500 N NZ . LYS A 1 28 ? 8.134 7.591 5.148 1.00 0.00 ? 28 LYS A NZ 13 ATOM 17501 H H . LYS A 1 28 ? 7.872 1.810 3.123 1.00 0.00 ? 28 LYS A H 13 ATOM 17502 H HA . LYS A 1 28 ? 9.956 2.999 1.623 1.00 0.00 ? 28 LYS A HA 13 ATOM 17503 H HB2 . LYS A 1 28 ? 7.652 3.954 2.005 1.00 0.00 ? 28 LYS A HB2 13 ATOM 17504 H HB3 . LYS A 1 28 ? 8.171 4.372 3.633 1.00 0.00 ? 28 LYS A HB3 13 ATOM 17505 H HG2 . LYS A 1 28 ? 10.031 5.318 1.622 1.00 0.00 ? 28 LYS A HG2 13 ATOM 17506 H HG3 . LYS A 1 28 ? 8.400 5.944 1.376 1.00 0.00 ? 28 LYS A HG3 13 ATOM 17507 H HD2 . LYS A 1 28 ? 9.854 6.041 4.014 1.00 0.00 ? 28 LYS A HD2 13 ATOM 17508 H HD3 . LYS A 1 28 ? 9.863 7.359 2.840 1.00 0.00 ? 28 LYS A HD3 13 ATOM 17509 H HE2 . LYS A 1 28 ? 7.594 7.790 3.124 1.00 0.00 ? 28 LYS A HE2 13 ATOM 17510 H HE3 . LYS A 1 28 ? 7.280 6.200 3.817 1.00 0.00 ? 28 LYS A HE3 13 ATOM 17511 H HZ1 . LYS A 1 28 ? 9.106 7.932 5.285 1.00 0.00 ? 28 LYS A HZ1 13 ATOM 17512 H HZ2 . LYS A 1 28 ? 7.477 8.386 5.281 1.00 0.00 ? 28 LYS A HZ2 13 ATOM 17513 H HZ3 . LYS A 1 28 ? 7.930 6.862 5.862 1.00 0.00 ? 28 LYS A HZ3 13 ATOM 17514 N N . GLN A 1 29 ? 10.405 2.679 4.814 1.00 0.00 ? 29 GLN A N 13 ATOM 17515 C CA . GLN A 1 29 ? 11.371 2.814 5.897 1.00 0.00 ? 29 GLN A CA 13 ATOM 17516 C C . GLN A 1 29 ? 12.571 1.902 5.666 1.00 0.00 ? 29 GLN A C 13 ATOM 17517 O O . GLN A 1 29 ? 13.708 2.273 5.952 1.00 0.00 ? 29 GLN A O 13 ATOM 17518 C CB . GLN A 1 29 ? 10.713 2.484 7.239 1.00 0.00 ? 29 GLN A CB 13 ATOM 17519 C CG . GLN A 1 29 ? 11.584 2.814 8.440 1.00 0.00 ? 29 GLN A CG 13 ATOM 17520 C CD . GLN A 1 29 ? 10.850 2.648 9.755 1.00 0.00 ? 29 GLN A CD 13 ATOM 17521 O OE1 . GLN A 1 29 ? 10.861 1.573 10.354 1.00 0.00 ? 29 GLN A OE1 13 ATOM 17522 N NE2 . GLN A 1 29 ? 10.206 3.715 10.212 1.00 0.00 ? 29 GLN A NE2 13 ATOM 17523 H H . GLN A 1 29 ? 9.606 2.130 4.953 1.00 0.00 ? 29 GLN A H 13 ATOM 17524 H HA . GLN A 1 29 ? 11.710 3.839 5.913 1.00 0.00 ? 29 GLN A HA 13 ATOM 17525 H HB2 . GLN A 1 29 ? 9.794 3.045 7.323 1.00 0.00 ? 29 GLN A HB2 13 ATOM 17526 H HB3 . GLN A 1 29 ? 10.485 1.429 7.266 1.00 0.00 ? 29 GLN A HB3 13 ATOM 17527 H HG2 . GLN A 1 29 ? 12.441 2.158 8.438 1.00 0.00 ? 29 GLN A HG2 13 ATOM 17528 H HG3 . GLN A 1 29 ? 11.917 3.840 8.356 1.00 0.00 ? 29 GLN A HG3 13 ATOM 17529 H HE21 . GLN A 1 29 ? 10.240 4.539 9.683 1.00 0.00 ? 29 GLN A HE21 13 ATOM 17530 H HE22 . GLN A 1 29 ? 9.722 3.635 11.062 1.00 0.00 ? 29 GLN A HE22 13 ATOM 17531 N N . SER A 1 30 ? 12.308 0.705 5.151 1.00 0.00 ? 30 SER A N 13 ATOM 17532 C CA . SER A 1 30 ? 13.369 -0.261 4.885 1.00 0.00 ? 30 SER A CA 13 ATOM 17533 C C . SER A 1 30 ? 14.210 0.153 3.679 1.00 0.00 ? 30 SER A C 13 ATOM 17534 O O . SER A 1 30 ? 15.406 -0.133 3.616 1.00 0.00 ? 30 SER A O 13 ATOM 17535 C CB . SER A 1 30 ? 12.775 -1.652 4.653 1.00 0.00 ? 30 SER A CB 13 ATOM 17536 O OG . SER A 1 30 ? 11.535 -1.569 3.975 1.00 0.00 ? 30 SER A OG 13 ATOM 17537 H H . SER A 1 30 ? 11.376 0.463 4.948 1.00 0.00 ? 30 SER A H 13 ATOM 17538 H HA . SER A 1 30 ? 14.008 -0.295 5.755 1.00 0.00 ? 30 SER A HA 13 ATOM 17539 H HB2 . SER A 1 30 ? 13.459 -2.237 4.056 1.00 0.00 ? 30 SER A HB2 13 ATOM 17540 H HB3 . SER A 1 30 ? 12.620 -2.138 5.605 1.00 0.00 ? 30 SER A HB3 13 ATOM 17541 H HG . SER A 1 30 ? 10.858 -2.016 4.489 1.00 0.00 ? 30 SER A HG 13 ATOM 17542 N N . ILE A 1 31 ? 13.579 0.829 2.724 1.00 0.00 ? 31 ILE A N 13 ATOM 17543 C CA . ILE A 1 31 ? 14.269 1.284 1.520 1.00 0.00 ? 31 ILE A CA 13 ATOM 17544 C C . ILE A 1 31 ? 15.010 2.592 1.784 1.00 0.00 ? 31 ILE A C 13 ATOM 17545 O O . ILE A 1 31 ? 16.030 2.877 1.158 1.00 0.00 ? 31 ILE A O 13 ATOM 17546 C CB . ILE A 1 31 ? 13.275 1.472 0.353 1.00 0.00 ? 31 ILE A CB 13 ATOM 17547 C CG1 . ILE A 1 31 ? 13.954 2.079 -0.879 1.00 0.00 ? 31 ILE A CG1 13 ATOM 17548 C CG2 . ILE A 1 31 ? 12.117 2.350 0.789 1.00 0.00 ? 31 ILE A CG2 13 ATOM 17549 C CD1 . ILE A 1 31 ? 14.825 1.105 -1.633 1.00 0.00 ? 31 ILE A CD1 13 ATOM 17550 H H . ILE A 1 31 ? 12.627 1.030 2.832 1.00 0.00 ? 31 ILE A H 13 ATOM 17551 H HA . ILE A 1 31 ? 14.986 0.525 1.239 1.00 0.00 ? 31 ILE A HA 13 ATOM 17552 H HB . ILE A 1 31 ? 12.881 0.499 0.093 1.00 0.00 ? 31 ILE A HB 13 ATOM 17553 H HG12 . ILE A 1 31 ? 13.191 2.430 -1.559 1.00 0.00 ? 31 ILE A HG12 13 ATOM 17554 H HG13 . ILE A 1 31 ? 14.570 2.911 -0.574 1.00 0.00 ? 31 ILE A HG13 13 ATOM 17555 H HG21 . ILE A 1 31 ? 12.256 2.642 1.818 1.00 0.00 ? 31 ILE A HG21 13 ATOM 17556 H HG22 . ILE A 1 31 ? 11.195 1.801 0.690 1.00 0.00 ? 31 ILE A HG22 13 ATOM 17557 H HG23 . ILE A 1 31 ? 12.081 3.232 0.167 1.00 0.00 ? 31 ILE A HG23 13 ATOM 17558 H HD11 . ILE A 1 31 ? 15.470 0.585 -0.942 1.00 0.00 ? 31 ILE A HD11 13 ATOM 17559 H HD12 . ILE A 1 31 ? 14.200 0.392 -2.148 1.00 0.00 ? 31 ILE A HD12 13 ATOM 17560 H HD13 . ILE A 1 31 ? 15.425 1.640 -2.352 1.00 0.00 ? 31 ILE A HD13 13 ATOM 17561 N N . LYS A 1 32 ? 14.490 3.378 2.721 1.00 0.00 ? 32 LYS A N 13 ATOM 17562 C CA . LYS A 1 32 ? 15.105 4.652 3.073 1.00 0.00 ? 32 LYS A CA 13 ATOM 17563 C C . LYS A 1 32 ? 16.268 4.439 4.036 1.00 0.00 ? 32 LYS A C 13 ATOM 17564 O O . LYS A 1 32 ? 17.201 5.240 4.085 1.00 0.00 ? 32 LYS A O 13 ATOM 17565 C CB . LYS A 1 32 ? 14.071 5.587 3.702 1.00 0.00 ? 32 LYS A CB 13 ATOM 17566 C CG . LYS A 1 32 ? 13.194 6.298 2.682 1.00 0.00 ? 32 LYS A CG 13 ATOM 17567 C CD . LYS A 1 32 ? 13.337 7.807 2.782 1.00 0.00 ? 32 LYS A CD 13 ATOM 17568 C CE . LYS A 1 32 ? 13.462 8.447 1.409 1.00 0.00 ? 32 LYS A CE 13 ATOM 17569 N NZ . LYS A 1 32 ? 13.927 9.858 1.493 1.00 0.00 ? 32 LYS A NZ 13 ATOM 17570 H H . LYS A 1 32 ? 13.677 3.094 3.188 1.00 0.00 ? 32 LYS A H 13 ATOM 17571 H HA . LYS A 1 32 ? 15.482 5.100 2.167 1.00 0.00 ? 32 LYS A HA 13 ATOM 17572 H HB2 . LYS A 1 32 ? 13.431 5.011 4.355 1.00 0.00 ? 32 LYS A HB2 13 ATOM 17573 H HB3 . LYS A 1 32 ? 14.586 6.336 4.284 1.00 0.00 ? 32 LYS A HB3 13 ATOM 17574 H HG2 . LYS A 1 32 ? 13.485 5.983 1.691 1.00 0.00 ? 32 LYS A HG2 13 ATOM 17575 H HG3 . LYS A 1 32 ? 12.163 6.029 2.859 1.00 0.00 ? 32 LYS A HG3 13 ATOM 17576 H HD2 . LYS A 1 32 ? 12.466 8.210 3.277 1.00 0.00 ? 32 LYS A HD2 13 ATOM 17577 H HD3 . LYS A 1 32 ? 14.220 8.038 3.358 1.00 0.00 ? 32 LYS A HD3 13 ATOM 17578 H HE2 . LYS A 1 32 ? 14.170 7.878 0.824 1.00 0.00 ? 32 LYS A HE2 13 ATOM 17579 H HE3 . LYS A 1 32 ? 12.496 8.423 0.925 1.00 0.00 ? 32 LYS A HE3 13 ATOM 17580 H HZ1 . LYS A 1 32 ? 14.129 10.110 2.482 1.00 0.00 ? 32 LYS A HZ1 13 ATOM 17581 H HZ2 . LYS A 1 32 ? 14.795 9.983 0.933 1.00 0.00 ? 32 LYS A HZ2 13 ATOM 17582 H HZ3 . LYS A 1 32 ? 13.196 10.499 1.125 1.00 0.00 ? 32 LYS A HZ3 13 ATOM 17583 N N . LYS A 1 33 ? 16.208 3.350 4.796 1.00 0.00 ? 33 LYS A N 13 ATOM 17584 C CA . LYS A 1 33 ? 17.259 3.028 5.753 1.00 0.00 ? 33 LYS A CA 13 ATOM 17585 C C . LYS A 1 33 ? 18.421 2.331 5.058 1.00 0.00 ? 33 LYS A C 13 ATOM 17586 O O . LYS A 1 33 ? 19.585 2.558 5.389 1.00 0.00 ? 33 LYS A O 13 ATOM 17587 C CB . LYS A 1 33 ? 16.708 2.140 6.870 1.00 0.00 ? 33 LYS A CB 13 ATOM 17588 C CG . LYS A 1 33 ? 17.367 2.380 8.218 1.00 0.00 ? 33 LYS A CG 13 ATOM 17589 C CD . LYS A 1 33 ? 16.400 2.126 9.364 1.00 0.00 ? 33 LYS A CD 13 ATOM 17590 C CE . LYS A 1 33 ? 16.431 0.672 9.807 1.00 0.00 ? 33 LYS A CE 13 ATOM 17591 N NZ . LYS A 1 33 ? 15.419 0.392 10.862 1.00 0.00 ? 33 LYS A NZ 13 ATOM 17592 H H . LYS A 1 33 ? 15.441 2.746 4.708 1.00 0.00 ? 33 LYS A H 13 ATOM 17593 H HA . LYS A 1 33 ? 17.613 3.954 6.181 1.00 0.00 ? 33 LYS A HA 13 ATOM 17594 H HB2 . LYS A 1 33 ? 15.649 2.326 6.973 1.00 0.00 ? 33 LYS A HB2 13 ATOM 17595 H HB3 . LYS A 1 33 ? 16.859 1.106 6.599 1.00 0.00 ? 33 LYS A HB3 13 ATOM 17596 H HG2 . LYS A 1 33 ? 18.211 1.715 8.320 1.00 0.00 ? 33 LYS A HG2 13 ATOM 17597 H HG3 . LYS A 1 33 ? 17.706 3.405 8.265 1.00 0.00 ? 33 LYS A HG3 13 ATOM 17598 H HD2 . LYS A 1 33 ? 16.675 2.752 10.200 1.00 0.00 ? 33 LYS A HD2 13 ATOM 17599 H HD3 . LYS A 1 33 ? 15.400 2.374 9.040 1.00 0.00 ? 33 LYS A HD3 13 ATOM 17600 H HE2 . LYS A 1 33 ? 16.231 0.044 8.952 1.00 0.00 ? 33 LYS A HE2 13 ATOM 17601 H HE3 . LYS A 1 33 ? 17.414 0.448 10.195 1.00 0.00 ? 33 LYS A HE3 13 ATOM 17602 H HZ1 . LYS A 1 33 ? 15.514 1.074 11.640 1.00 0.00 ? 33 LYS A HZ1 13 ATOM 17603 H HZ2 . LYS A 1 33 ? 14.460 0.466 10.466 1.00 0.00 ? 33 LYS A HZ2 13 ATOM 17604 H HZ3 . LYS A 1 33 ? 15.552 -0.569 11.239 1.00 0.00 ? 33 LYS A HZ3 13 ATOM 17605 N N . LEU A 1 34 ? 18.097 1.482 4.087 1.00 0.00 ? 34 LEU A N 13 ATOM 17606 C CA . LEU A 1 34 ? 19.113 0.754 3.338 1.00 0.00 ? 34 LEU A CA 13 ATOM 17607 C C . LEU A 1 34 ? 19.766 1.657 2.298 1.00 0.00 ? 34 LEU A C 13 ATOM 17608 O O . LEU A 1 34 ? 20.923 1.461 1.928 1.00 0.00 ? 34 LEU A O 13 ATOM 17609 C CB . LEU A 1 34 ? 18.497 -0.470 2.658 1.00 0.00 ? 34 LEU A CB 13 ATOM 17610 C CG . LEU A 1 34 ? 19.234 -1.787 2.904 1.00 0.00 ? 34 LEU A CG 13 ATOM 17611 C CD1 . LEU A 1 34 ? 18.358 -2.969 2.520 1.00 0.00 ? 34 LEU A CD1 13 ATOM 17612 C CD2 . LEU A 1 34 ? 20.542 -1.818 2.128 1.00 0.00 ? 34 LEU A CD2 13 ATOM 17613 H H . LEU A 1 34 ? 17.152 1.347 3.866 1.00 0.00 ? 34 LEU A H 13 ATOM 17614 H HA . LEU A 1 34 ? 19.868 0.426 4.037 1.00 0.00 ? 34 LEU A HA 13 ATOM 17615 H HB2 . LEU A 1 34 ? 17.482 -0.577 3.010 1.00 0.00 ? 34 LEU A HB2 13 ATOM 17616 H HB3 . LEU A 1 34 ? 18.473 -0.290 1.593 1.00 0.00 ? 34 LEU A HB3 13 ATOM 17617 H HG . LEU A 1 34 ? 19.466 -1.872 3.956 1.00 0.00 ? 34 LEU A HG 13 ATOM 17618 H HD11 . LEU A 1 34 ? 17.368 -2.833 2.932 1.00 0.00 ? 34 LEU A HD11 13 ATOM 17619 H HD12 . LEU A 1 34 ? 18.292 -3.035 1.444 1.00 0.00 ? 34 LEU A HD12 13 ATOM 17620 H HD13 . LEU A 1 34 ? 18.788 -3.879 2.911 1.00 0.00 ? 34 LEU A HD13 13 ATOM 17621 H HD21 . LEU A 1 34 ? 20.908 -0.809 2.000 1.00 0.00 ? 34 LEU A HD21 13 ATOM 17622 H HD22 . LEU A 1 34 ? 21.271 -2.398 2.674 1.00 0.00 ? 34 LEU A HD22 13 ATOM 17623 H HD23 . LEU A 1 34 ? 20.377 -2.266 1.160 1.00 0.00 ? 34 LEU A HD23 13 ATOM 17624 N N . LYS A 1 35 ? 19.015 2.650 1.832 1.00 0.00 ? 35 LYS A N 13 ATOM 17625 C CA . LYS A 1 35 ? 19.522 3.587 0.836 1.00 0.00 ? 35 LYS A CA 13 ATOM 17626 C C . LYS A 1 35 ? 20.360 4.675 1.498 1.00 0.00 ? 35 LYS A C 13 ATOM 17627 O O . LYS A 1 35 ? 21.330 5.165 0.918 1.00 0.00 ? 35 LYS A O 13 ATOM 17628 C CB . LYS A 1 35 ? 18.363 4.219 0.061 1.00 0.00 ? 35 LYS A CB 13 ATOM 17629 C CG . LYS A 1 35 ? 18.805 5.276 -0.938 1.00 0.00 ? 35 LYS A CG 13 ATOM 17630 C CD . LYS A 1 35 ? 18.634 6.678 -0.376 1.00 0.00 ? 35 LYS A CD 13 ATOM 17631 C CE . LYS A 1 35 ? 17.176 6.980 -0.066 1.00 0.00 ? 35 LYS A CE 13 ATOM 17632 N NZ . LYS A 1 35 ? 16.745 8.286 -0.637 1.00 0.00 ? 35 LYS A NZ 13 ATOM 17633 H H . LYS A 1 35 ? 18.099 2.758 2.167 1.00 0.00 ? 35 LYS A H 13 ATOM 17634 H HA . LYS A 1 35 ? 20.146 3.036 0.149 1.00 0.00 ? 35 LYS A HA 13 ATOM 17635 H HB2 . LYS A 1 35 ? 17.840 3.443 -0.477 1.00 0.00 ? 35 LYS A HB2 13 ATOM 17636 H HB3 . LYS A 1 35 ? 17.684 4.679 0.763 1.00 0.00 ? 35 LYS A HB3 13 ATOM 17637 H HG2 . LYS A 1 35 ? 19.846 5.120 -1.176 1.00 0.00 ? 35 LYS A HG2 13 ATOM 17638 H HG3 . LYS A 1 35 ? 18.209 5.182 -1.834 1.00 0.00 ? 35 LYS A HG3 13 ATOM 17639 H HD2 . LYS A 1 35 ? 19.209 6.765 0.533 1.00 0.00 ? 35 LYS A HD2 13 ATOM 17640 H HD3 . LYS A 1 35 ? 18.993 7.393 -1.102 1.00 0.00 ? 35 LYS A HD3 13 ATOM 17641 H HE2 . LYS A 1 35 ? 16.563 6.196 -0.484 1.00 0.00 ? 35 LYS A HE2 13 ATOM 17642 H HE3 . LYS A 1 35 ? 17.046 7.005 1.005 1.00 0.00 ? 35 LYS A HE3 13 ATOM 17643 H HZ1 . LYS A 1 35 ? 17.271 8.485 -1.512 1.00 0.00 ? 35 LYS A HZ1 13 ATOM 17644 H HZ2 . LYS A 1 35 ? 15.728 8.264 -0.855 1.00 0.00 ? 35 LYS A HZ2 13 ATOM 17645 H HZ3 . LYS A 1 35 ? 16.927 9.051 0.044 1.00 0.00 ? 35 LYS A HZ3 13 ATOM 17646 N N . GLN A 1 36 ? 19.981 5.046 2.716 1.00 0.00 ? 36 GLN A N 13 ATOM 17647 C CA . GLN A 1 36 ? 20.702 6.074 3.460 1.00 0.00 ? 36 GLN A CA 13 ATOM 17648 C C . GLN A 1 36 ? 21.979 5.506 4.066 1.00 0.00 ? 36 GLN A C 13 ATOM 17649 O O . GLN A 1 36 ? 22.953 6.229 4.279 1.00 0.00 ? 36 GLN A O 13 ATOM 17650 C CB . GLN A 1 36 ? 19.812 6.654 4.561 1.00 0.00 ? 36 GLN A CB 13 ATOM 17651 C CG . GLN A 1 36 ? 20.419 7.860 5.261 1.00 0.00 ? 36 GLN A CG 13 ATOM 17652 C CD . GLN A 1 36 ? 21.396 7.468 6.354 1.00 0.00 ? 36 GLN A CD 13 ATOM 17653 O OE1 . GLN A 1 36 ? 21.030 6.796 7.318 1.00 0.00 ? 36 GLN A OE1 13 ATOM 17654 N NE2 . GLN A 1 36 ? 22.646 7.890 6.208 1.00 0.00 ? 36 GLN A NE2 13 ATOM 17655 H H . GLN A 1 36 ? 19.201 4.618 3.127 1.00 0.00 ? 36 GLN A H 13 ATOM 17656 H HA . GLN A 1 36 ? 20.964 6.861 2.768 1.00 0.00 ? 36 GLN A HA 13 ATOM 17657 H HB2 . GLN A 1 36 ? 18.870 6.953 4.128 1.00 0.00 ? 36 GLN A HB2 13 ATOM 17658 H HB3 . GLN A 1 36 ? 19.631 5.888 5.302 1.00 0.00 ? 36 GLN A HB3 13 ATOM 17659 H HG2 . GLN A 1 36 ? 20.942 8.458 4.530 1.00 0.00 ? 36 GLN A HG2 13 ATOM 17660 H HG3 . GLN A 1 36 ? 19.624 8.442 5.701 1.00 0.00 ? 36 GLN A HG3 13 ATOM 17661 H HE21 . GLN A 1 36 ? 22.866 8.422 5.415 1.00 0.00 ? 36 GLN A HE21 13 ATOM 17662 H HE22 . GLN A 1 36 ? 23.298 7.652 6.900 1.00 0.00 ? 36 GLN A HE22 13 ATOM 17663 N N . SER A 1 37 ? 21.970 4.205 4.341 1.00 0.00 ? 37 SER A N 13 ATOM 17664 C CA . SER A 1 37 ? 23.130 3.539 4.921 1.00 0.00 ? 37 SER A CA 13 ATOM 17665 C C . SER A 1 37 ? 24.196 3.286 3.861 1.00 0.00 ? 37 SER A C 13 ATOM 17666 O O . SER A 1 37 ? 25.384 3.188 4.171 1.00 0.00 ? 37 SER A O 13 ATOM 17667 C CB . SER A 1 37 ? 22.713 2.216 5.568 1.00 0.00 ? 37 SER A CB 13 ATOM 17668 O OG . SER A 1 37 ? 23.742 1.710 6.400 1.00 0.00 ? 37 SER A OG 13 ATOM 17669 H H . SER A 1 37 ? 21.164 3.681 4.148 1.00 0.00 ? 37 SER A H 13 ATOM 17670 H HA . SER A 1 37 ? 23.540 4.187 5.680 1.00 0.00 ? 37 SER A HA 13 ATOM 17671 H HB2 . SER A 1 37 ? 21.828 2.373 6.167 1.00 0.00 ? 37 SER A HB2 13 ATOM 17672 H HB3 . SER A 1 37 ? 22.501 1.492 4.795 1.00 0.00 ? 37 SER A HB3 13 ATOM 17673 H HG . SER A 1 37 ? 24.120 0.923 6.000 1.00 0.00 ? 37 SER A HG 13 ATOM 17674 N N . GLU A 1 38 ? 23.764 3.184 2.607 1.00 0.00 ? 38 GLU A N 13 ATOM 17675 C CA . GLU A 1 38 ? 24.682 2.944 1.500 1.00 0.00 ? 38 GLU A CA 13 ATOM 17676 C C . GLU A 1 38 ? 25.481 4.203 1.175 1.00 0.00 ? 38 GLU A C 13 ATOM 17677 O O . GLU A 1 38 ? 26.612 4.125 0.694 1.00 0.00 ? 38 GLU A O 13 ATOM 17678 C CB . GLU A 1 38 ? 23.912 2.481 0.262 1.00 0.00 ? 38 GLU A CB 13 ATOM 17679 C CG . GLU A 1 38 ? 24.704 1.538 -0.630 1.00 0.00 ? 38 GLU A CG 13 ATOM 17680 C CD . GLU A 1 38 ? 24.140 1.454 -2.034 1.00 0.00 ? 38 GLU A CD 13 ATOM 17681 O OE1 . GLU A 1 38 ? 22.944 1.122 -2.174 1.00 0.00 ? 38 GLU A OE1 13 ATOM 17682 O OE2 . GLU A 1 38 ? 24.893 1.720 -2.994 1.00 0.00 ? 38 GLU A OE2 13 ATOM 17683 H H . GLU A 1 38 ? 22.805 3.272 2.423 1.00 0.00 ? 38 GLU A H 13 ATOM 17684 H HA . GLU A 1 38 ? 25.367 2.164 1.801 1.00 0.00 ? 38 GLU A HA 13 ATOM 17685 H HB2 . GLU A 1 38 ? 23.015 1.972 0.582 1.00 0.00 ? 38 GLU A HB2 13 ATOM 17686 H HB3 . GLU A 1 38 ? 23.636 3.347 -0.320 1.00 0.00 ? 38 GLU A HB3 13 ATOM 17687 H HG2 . GLU A 1 38 ? 25.723 1.891 -0.688 1.00 0.00 ? 38 GLU A HG2 13 ATOM 17688 H HG3 . GLU A 1 38 ? 24.690 0.552 -0.190 1.00 0.00 ? 38 GLU A HG3 13 ATOM 17689 N N . ASP A 1 39 ? 24.886 5.360 1.442 1.00 0.00 ? 39 ASP A N 13 ATOM 17690 C CA . ASP A 1 39 ? 25.543 6.636 1.179 1.00 0.00 ? 39 ASP A CA 13 ATOM 17691 C C . ASP A 1 39 ? 26.642 6.903 2.201 1.00 0.00 ? 39 ASP A C 13 ATOM 17692 O O . ASP A 1 39 ? 27.596 7.631 1.926 1.00 0.00 ? 39 ASP A O 13 ATOM 17693 C CB . ASP A 1 39 ? 24.521 7.774 1.203 1.00 0.00 ? 39 ASP A CB 13 ATOM 17694 C CG . ASP A 1 39 ? 25.153 9.123 0.924 1.00 0.00 ? 39 ASP A CG 13 ATOM 17695 O OD1 . ASP A 1 39 ? 25.826 9.661 1.828 1.00 0.00 ? 39 ASP A OD1 13 ATOM 17696 O OD2 . ASP A 1 39 ? 24.974 9.642 -0.198 1.00 0.00 ? 39 ASP A OD2 13 ATOM 17697 H H . ASP A 1 39 ? 23.985 5.357 1.826 1.00 0.00 ? 39 ASP A H 13 ATOM 17698 H HA . ASP A 1 39 ? 25.987 6.582 0.196 1.00 0.00 ? 39 ASP A HA 13 ATOM 17699 H HB2 . ASP A 1 39 ? 23.767 7.588 0.452 1.00 0.00 ? 39 ASP A HB2 13 ATOM 17700 H HB3 . ASP A 1 39 ? 24.053 7.809 2.175 1.00 0.00 ? 39 ASP A HB3 13 ATOM 17701 N N . ASP A 1 40 ? 26.503 6.309 3.382 1.00 0.00 ? 40 ASP A N 13 ATOM 17702 C CA . ASP A 1 40 ? 27.485 6.482 4.446 1.00 0.00 ? 40 ASP A CA 13 ATOM 17703 C C . ASP A 1 40 ? 27.174 5.570 5.628 1.00 0.00 ? 40 ASP A C 13 ATOM 17704 O O . ASP A 1 40 ? 26.039 5.124 5.798 1.00 0.00 ? 40 ASP A O 13 ATOM 17705 C CB . ASP A 1 40 ? 27.516 7.940 4.907 1.00 0.00 ? 40 ASP A CB 13 ATOM 17706 C CG . ASP A 1 40 ? 28.928 8.481 5.023 1.00 0.00 ? 40 ASP A CG 13 ATOM 17707 O OD1 . ASP A 1 40 ? 29.694 8.353 4.045 1.00 0.00 ? 40 ASP A OD1 13 ATOM 17708 O OD2 . ASP A 1 40 ? 29.267 9.031 6.091 1.00 0.00 ? 40 ASP A OD2 13 ATOM 17709 H H . ASP A 1 40 ? 25.721 5.740 3.542 1.00 0.00 ? 40 ASP A H 13 ATOM 17710 H HA . ASP A 1 40 ? 28.454 6.219 4.049 1.00 0.00 ? 40 ASP A HA 13 ATOM 17711 H HB2 . ASP A 1 40 ? 26.976 8.548 4.196 1.00 0.00 ? 40 ASP A HB2 13 ATOM 17712 H HB3 . ASP A 1 40 ? 27.040 8.016 5.874 1.00 0.00 ? 40 ASP A HB3 13 ATOM 17713 N N . ASP A 1 41 ? 28.189 5.296 6.440 1.00 0.00 ? 41 ASP A N 13 ATOM 17714 C CA . ASP A 1 41 ? 28.023 4.437 7.607 1.00 0.00 ? 41 ASP A CA 13 ATOM 17715 C C . ASP A 1 41 ? 26.841 4.893 8.456 1.00 0.00 ? 41 ASP A C 13 ATOM 17716 O O . ASP A 1 41 ? 26.326 6.002 8.204 1.00 0.00 ? 41 ASP A O 13 ATOM 17717 C CB . ASP A 1 41 ? 29.300 4.434 8.449 1.00 0.00 ? 41 ASP A CB 13 ATOM 17718 C CG . ASP A 1 41 ? 30.125 3.179 8.246 1.00 0.00 ? 41 ASP A CG 13 ATOM 17719 O OD1 . ASP A 1 41 ? 29.567 2.174 7.756 1.00 0.00 ? 41 ASP A OD1 13 ATOM 17720 O OD2 . ASP A 1 41 ? 31.329 3.199 8.575 1.00 0.00 ? 41 ASP A OD2 13 ATOM 17721 O OXT . ASP A 1 41 ? 26.439 4.136 9.365 1.00 0.00 ? 41 ASP A OXT 13 ATOM 17722 H H . ASP A 1 41 ? 29.070 5.681 6.252 1.00 0.00 ? 41 ASP A H 13 ATOM 17723 H HA . ASP A 1 41 ? 27.833 3.434 7.256 1.00 0.00 ? 41 ASP A HA 13 ATOM 17724 H HB2 . ASP A 1 41 ? 29.904 5.287 8.179 1.00 0.00 ? 41 ASP A HB2 13 ATOM 17725 H HB3 . ASP A 1 41 ? 29.034 4.502 9.495 1.00 0.00 ? 41 ASP A HB3 13 ATOM 17726 N N . ALA B 1 1 ? 35.703 -7.778 -3.174 1.00 0.00 ? 1 ALA B N 13 ATOM 17727 C CA . ALA B 1 1 ? 34.586 -8.122 -2.256 1.00 0.00 ? 1 ALA B CA 13 ATOM 17728 C C . ALA B 1 1 ? 33.689 -6.913 -2.009 1.00 0.00 ? 1 ALA B C 13 ATOM 17729 O O . ALA B 1 1 ? 33.328 -6.618 -0.870 1.00 0.00 ? 1 ALA B O 13 ATOM 17730 C CB . ALA B 1 1 ? 35.130 -8.651 -0.938 1.00 0.00 ? 1 ALA B CB 13 ATOM 17731 H H1 . ALA B 1 1 ? 36.176 -6.934 -2.795 1.00 0.00 ? 1 ALA B H1 13 ATOM 17732 H H2 . ALA B 1 1 ? 36.351 -8.590 -3.202 1.00 0.00 ? 1 ALA B H2 13 ATOM 17733 H H3 . ALA B 1 1 ? 35.294 -7.590 -4.112 1.00 0.00 ? 1 ALA B H3 13 ATOM 17734 H HA . ALA B 1 1 ? 33.998 -8.904 -2.714 1.00 0.00 ? 1 ALA B HA 13 ATOM 17735 H HB1 . ALA B 1 1 ? 35.659 -7.862 -0.424 1.00 0.00 ? 1 ALA B HB1 13 ATOM 17736 H HB2 . ALA B 1 1 ? 34.313 -8.996 -0.323 1.00 0.00 ? 1 ALA B HB2 13 ATOM 17737 H HB3 . ALA B 1 1 ? 35.806 -9.471 -1.132 1.00 0.00 ? 1 ALA B HB3 13 ATOM 17738 N N . LEU B 1 2 ? 33.331 -6.219 -3.084 1.00 0.00 ? 2 LEU B N 13 ATOM 17739 C CA . LEU B 1 2 ? 32.476 -5.042 -2.985 1.00 0.00 ? 2 LEU B CA 13 ATOM 17740 C C . LEU B 1 2 ? 31.097 -5.416 -2.452 1.00 0.00 ? 2 LEU B C 13 ATOM 17741 O O . LEU B 1 2 ? 30.850 -6.567 -2.091 1.00 0.00 ? 2 LEU B O 13 ATOM 17742 C CB . LEU B 1 2 ? 32.341 -4.366 -4.351 1.00 0.00 ? 2 LEU B CB 13 ATOM 17743 C CG . LEU B 1 2 ? 33.663 -3.977 -5.014 1.00 0.00 ? 2 LEU B CG 13 ATOM 17744 C CD1 . LEU B 1 2 ? 33.981 -4.919 -6.165 1.00 0.00 ? 2 LEU B CD1 13 ATOM 17745 C CD2 . LEU B 1 2 ? 33.611 -2.537 -5.499 1.00 0.00 ? 2 LEU B CD2 13 ATOM 17746 H H . LEU B 1 2 ? 33.650 -6.504 -3.966 1.00 0.00 ? 2 LEU B H 13 ATOM 17747 H HA . LEU B 1 2 ? 32.939 -4.353 -2.296 1.00 0.00 ? 2 LEU B HA 13 ATOM 17748 H HB2 . LEU B 1 2 ? 31.815 -5.039 -5.012 1.00 0.00 ? 2 LEU B HB2 13 ATOM 17749 H HB3 . LEU B 1 2 ? 31.748 -3.472 -4.230 1.00 0.00 ? 2 LEU B HB3 13 ATOM 17750 H HG . LEU B 1 2 ? 34.460 -4.058 -4.288 1.00 0.00 ? 2 LEU B HG 13 ATOM 17751 H HD11 . LEU B 1 2 ? 33.428 -5.838 -6.041 1.00 0.00 ? 2 LEU B HD11 13 ATOM 17752 H HD12 . LEU B 1 2 ? 33.701 -4.453 -7.098 1.00 0.00 ? 2 LEU B HD12 13 ATOM 17753 H HD13 . LEU B 1 2 ? 35.039 -5.134 -6.173 1.00 0.00 ? 2 LEU B HD13 13 ATOM 17754 H HD21 . LEU B 1 2 ? 32.708 -2.382 -6.072 1.00 0.00 ? 2 LEU B HD21 13 ATOM 17755 H HD22 . LEU B 1 2 ? 33.618 -1.869 -4.650 1.00 0.00 ? 2 LEU B HD22 13 ATOM 17756 H HD23 . LEU B 1 2 ? 34.470 -2.335 -6.122 1.00 0.00 ? 2 LEU B HD23 13 ATOM 17757 N N . LYS B 1 3 ? 30.200 -4.435 -2.404 1.00 0.00 ? 3 LYS B N 13 ATOM 17758 C CA . LYS B 1 3 ? 28.845 -4.661 -1.915 1.00 0.00 ? 3 LYS B CA 13 ATOM 17759 C C . LYS B 1 3 ? 27.816 -4.320 -2.987 1.00 0.00 ? 3 LYS B C 13 ATOM 17760 O O . LYS B 1 3 ? 27.102 -3.323 -2.881 1.00 0.00 ? 3 LYS B O 13 ATOM 17761 C CB . LYS B 1 3 ? 28.587 -3.826 -0.659 1.00 0.00 ? 3 LYS B CB 13 ATOM 17762 C CG . LYS B 1 3 ? 29.145 -4.448 0.610 1.00 0.00 ? 3 LYS B CG 13 ATOM 17763 C CD . LYS B 1 3 ? 30.615 -4.112 0.797 1.00 0.00 ? 3 LYS B CD 13 ATOM 17764 C CE . LYS B 1 3 ? 31.042 -4.263 2.248 1.00 0.00 ? 3 LYS B CE 13 ATOM 17765 N NZ . LYS B 1 3 ? 32.109 -5.289 2.409 1.00 0.00 ? 3 LYS B NZ 13 ATOM 17766 H H . LYS B 1 3 ? 30.457 -3.539 -2.705 1.00 0.00 ? 3 LYS B H 13 ATOM 17767 H HA . LYS B 1 3 ? 28.754 -5.708 -1.665 1.00 0.00 ? 3 LYS B HA 13 ATOM 17768 H HB2 . LYS B 1 3 ? 29.042 -2.855 -0.789 1.00 0.00 ? 3 LYS B HB2 13 ATOM 17769 H HB3 . LYS B 1 3 ? 27.522 -3.701 -0.536 1.00 0.00 ? 3 LYS B HB3 13 ATOM 17770 H HG2 . LYS B 1 3 ? 28.590 -4.073 1.457 1.00 0.00 ? 3 LYS B HG2 13 ATOM 17771 H HG3 . LYS B 1 3 ? 29.034 -5.522 0.552 1.00 0.00 ? 3 LYS B HG3 13 ATOM 17772 H HD2 . LYS B 1 3 ? 31.207 -4.778 0.187 1.00 0.00 ? 3 LYS B HD2 13 ATOM 17773 H HD3 . LYS B 1 3 ? 30.783 -3.091 0.485 1.00 0.00 ? 3 LYS B HD3 13 ATOM 17774 H HE2 . LYS B 1 3 ? 31.412 -3.313 2.602 1.00 0.00 ? 3 LYS B HE2 13 ATOM 17775 H HE3 . LYS B 1 3 ? 30.183 -4.555 2.833 1.00 0.00 ? 3 LYS B HE3 13 ATOM 17776 H HZ1 . LYS B 1 3 ? 32.933 -5.043 1.823 1.00 0.00 ? 3 LYS B HZ1 13 ATOM 17777 H HZ2 . LYS B 1 3 ? 32.409 -5.339 3.404 1.00 0.00 ? 3 LYS B HZ2 13 ATOM 17778 H HZ3 . LYS B 1 3 ? 31.756 -6.222 2.117 1.00 0.00 ? 3 LYS B HZ3 13 ATOM 17779 N N . LYS B 1 4 ? 27.745 -5.154 -4.020 1.00 0.00 ? 4 LYS B N 13 ATOM 17780 C CA . LYS B 1 4 ? 26.803 -4.941 -5.112 1.00 0.00 ? 4 LYS B CA 13 ATOM 17781 C C . LYS B 1 4 ? 25.434 -5.523 -4.771 1.00 0.00 ? 4 LYS B C 13 ATOM 17782 O O . LYS B 1 4 ? 24.402 -4.932 -5.084 1.00 0.00 ? 4 LYS B O 13 ATOM 17783 C CB . LYS B 1 4 ? 27.332 -5.571 -6.401 1.00 0.00 ? 4 LYS B CB 13 ATOM 17784 C CG . LYS B 1 4 ? 27.515 -4.575 -7.534 1.00 0.00 ? 4 LYS B CG 13 ATOM 17785 C CD . LYS B 1 4 ? 28.838 -3.835 -7.417 1.00 0.00 ? 4 LYS B CD 13 ATOM 17786 C CE . LYS B 1 4 ? 29.219 -3.165 -8.727 1.00 0.00 ? 4 LYS B CE 13 ATOM 17787 N NZ . LYS B 1 4 ? 30.653 -3.384 -9.066 1.00 0.00 ? 4 LYS B NZ 13 ATOM 17788 H H . LYS B 1 4 ? 28.341 -5.932 -4.047 1.00 0.00 ? 4 LYS B H 13 ATOM 17789 H HA . LYS B 1 4 ? 26.700 -3.876 -5.257 1.00 0.00 ? 4 LYS B HA 13 ATOM 17790 H HB2 . LYS B 1 4 ? 28.288 -6.031 -6.196 1.00 0.00 ? 4 LYS B HB2 13 ATOM 17791 H HB3 . LYS B 1 4 ? 26.639 -6.332 -6.728 1.00 0.00 ? 4 LYS B HB3 13 ATOM 17792 H HG2 . LYS B 1 4 ? 27.494 -5.105 -8.474 1.00 0.00 ? 4 LYS B HG2 13 ATOM 17793 H HG3 . LYS B 1 4 ? 26.708 -3.858 -7.504 1.00 0.00 ? 4 LYS B HG3 13 ATOM 17794 H HD2 . LYS B 1 4 ? 28.751 -3.080 -6.650 1.00 0.00 ? 4 LYS B HD2 13 ATOM 17795 H HD3 . LYS B 1 4 ? 29.610 -4.540 -7.144 1.00 0.00 ? 4 LYS B HD3 13 ATOM 17796 H HE2 . LYS B 1 4 ? 28.606 -3.571 -9.516 1.00 0.00 ? 4 LYS B HE2 13 ATOM 17797 H HE3 . LYS B 1 4 ? 29.037 -2.103 -8.640 1.00 0.00 ? 4 LYS B HE3 13 ATOM 17798 H HZ1 . LYS B 1 4 ? 31.143 -3.838 -8.270 1.00 0.00 ? 4 LYS B HZ1 13 ATOM 17799 H HZ2 . LYS B 1 4 ? 30.732 -3.997 -9.902 1.00 0.00 ? 4 LYS B HZ2 13 ATOM 17800 H HZ3 . LYS B 1 4 ? 31.114 -2.475 -9.271 1.00 0.00 ? 4 LYS B HZ3 13 ATOM 17801 N N . HIS B 1 5 ? 25.436 -6.686 -4.127 1.00 0.00 ? 5 HIS B N 13 ATOM 17802 C CA . HIS B 1 5 ? 24.194 -7.349 -3.744 1.00 0.00 ? 5 HIS B CA 13 ATOM 17803 C C . HIS B 1 5 ? 23.273 -6.389 -2.998 1.00 0.00 ? 5 HIS B C 13 ATOM 17804 O O . HIS B 1 5 ? 22.050 -6.485 -3.095 1.00 0.00 ? 5 HIS B O 13 ATOM 17805 C CB . HIS B 1 5 ? 24.492 -8.571 -2.873 1.00 0.00 ? 5 HIS B CB 13 ATOM 17806 C CG . HIS B 1 5 ? 25.247 -8.244 -1.622 1.00 0.00 ? 5 HIS B CG 13 ATOM 17807 N ND1 . HIS B 1 5 ? 26.606 -8.443 -1.489 1.00 0.00 ? 5 HIS B ND1 13 ATOM 17808 C CD2 . HIS B 1 5 ? 24.828 -7.727 -0.443 1.00 0.00 ? 5 HIS B CD2 13 ATOM 17809 C CE1 . HIS B 1 5 ? 26.988 -8.064 -0.282 1.00 0.00 ? 5 HIS B CE1 13 ATOM 17810 N NE2 . HIS B 1 5 ? 25.929 -7.626 0.371 1.00 0.00 ? 5 HIS B NE2 13 ATOM 17811 H H . HIS B 1 5 ? 26.292 -7.109 -3.905 1.00 0.00 ? 5 HIS B H 13 ATOM 17812 H HA . HIS B 1 5 ? 23.701 -7.674 -4.648 1.00 0.00 ? 5 HIS B HA 13 ATOM 17813 H HB2 . HIS B 1 5 ? 23.560 -9.035 -2.586 1.00 0.00 ? 5 HIS B HB2 13 ATOM 17814 H HB3 . HIS B 1 5 ? 25.080 -9.276 -3.443 1.00 0.00 ? 5 HIS B HB3 13 ATOM 17815 H HD1 . HIS B 1 5 ? 27.201 -8.810 -2.176 1.00 0.00 ? 5 HIS B HD1 13 ATOM 17816 H HD2 . HIS B 1 5 ? 23.815 -7.445 -0.190 1.00 0.00 ? 5 HIS B HD2 13 ATOM 17817 H HE1 . HIS B 1 5 ? 27.996 -8.106 0.104 1.00 0.00 ? 5 HIS B HE1 13 ATOM 17818 H HE2 . HIS B 1 5 ? 25.930 -7.283 1.289 1.00 0.00 ? 5 HIS B HE2 13 ATOM 17819 N N . HIS B 1 6 ? 23.870 -5.464 -2.254 1.00 0.00 ? 6 HIS B N 13 ATOM 17820 C CA . HIS B 1 6 ? 23.102 -4.486 -1.491 1.00 0.00 ? 6 HIS B CA 13 ATOM 17821 C C . HIS B 1 6 ? 22.298 -3.583 -2.420 1.00 0.00 ? 6 HIS B C 13 ATOM 17822 O O . HIS B 1 6 ? 21.078 -3.476 -2.293 1.00 0.00 ? 6 HIS B O 13 ATOM 17823 C CB . HIS B 1 6 ? 24.032 -3.644 -0.617 1.00 0.00 ? 6 HIS B CB 13 ATOM 17824 C CG . HIS B 1 6 ? 23.761 -3.776 0.848 1.00 0.00 ? 6 HIS B CG 13 ATOM 17825 N ND1 . HIS B 1 6 ? 23.400 -4.968 1.443 1.00 0.00 ? 6 HIS B ND1 13 ATOM 17826 C CD2 . HIS B 1 6 ? 23.799 -2.859 1.843 1.00 0.00 ? 6 HIS B CD2 13 ATOM 17827 C CE1 . HIS B 1 6 ? 23.228 -4.777 2.738 1.00 0.00 ? 6 HIS B CE1 13 ATOM 17828 N NE2 . HIS B 1 6 ? 23.465 -3.506 3.007 1.00 0.00 ? 6 HIS B NE2 13 ATOM 17829 H H . HIS B 1 6 ? 24.849 -5.438 -2.216 1.00 0.00 ? 6 HIS B H 13 ATOM 17830 H HA . HIS B 1 6 ? 22.417 -5.027 -0.854 1.00 0.00 ? 6 HIS B HA 13 ATOM 17831 H HB2 . HIS B 1 6 ? 25.054 -3.947 -0.794 1.00 0.00 ? 6 HIS B HB2 13 ATOM 17832 H HB3 . HIS B 1 6 ? 23.920 -2.602 -0.885 1.00 0.00 ? 6 HIS B HB3 13 ATOM 17833 H HD1 . HIS B 1 6 ? 23.287 -5.826 0.983 1.00 0.00 ? 6 HIS B HD1 13 ATOM 17834 H HD2 . HIS B 1 6 ? 24.046 -1.811 1.742 1.00 0.00 ? 6 HIS B HD2 13 ATOM 17835 H HE1 . HIS B 1 6 ? 22.944 -5.532 3.457 1.00 0.00 ? 6 HIS B HE1 13 ATOM 17836 H HE2 . HIS B 1 6 ? 23.408 -3.095 3.894 1.00 0.00 ? 6 HIS B HE2 13 ATOM 17837 N N . GLU B 1 7 ? 22.989 -2.936 -3.353 1.00 0.00 ? 7 GLU B N 13 ATOM 17838 C CA . GLU B 1 7 ? 22.335 -2.044 -4.303 1.00 0.00 ? 7 GLU B CA 13 ATOM 17839 C C . GLU B 1 7 ? 21.161 -2.741 -4.982 1.00 0.00 ? 7 GLU B C 13 ATOM 17840 O O . GLU B 1 7 ? 20.224 -2.091 -5.444 1.00 0.00 ? 7 GLU B O 13 ATOM 17841 C CB . GLU B 1 7 ? 23.337 -1.562 -5.355 1.00 0.00 ? 7 GLU B CB 13 ATOM 17842 C CG . GLU B 1 7 ? 23.014 -0.187 -5.916 1.00 0.00 ? 7 GLU B CG 13 ATOM 17843 C CD . GLU B 1 7 ? 24.129 0.364 -6.784 1.00 0.00 ? 7 GLU B CD 13 ATOM 17844 O OE1 . GLU B 1 7 ? 25.291 -0.050 -6.591 1.00 0.00 ? 7 GLU B OE1 13 ATOM 17845 O OE2 . GLU B 1 7 ? 23.839 1.210 -7.656 1.00 0.00 ? 7 GLU B OE2 13 ATOM 17846 H H . GLU B 1 7 ? 23.959 -3.063 -3.405 1.00 0.00 ? 7 GLU B H 13 ATOM 17847 H HA . GLU B 1 7 ? 21.963 -1.192 -3.756 1.00 0.00 ? 7 GLU B HA 13 ATOM 17848 H HB2 . GLU B 1 7 ? 24.319 -1.524 -4.909 1.00 0.00 ? 7 GLU B HB2 13 ATOM 17849 H HB3 . GLU B 1 7 ? 23.349 -2.267 -6.174 1.00 0.00 ? 7 GLU B HB3 13 ATOM 17850 H HG2 . GLU B 1 7 ? 22.117 -0.257 -6.513 1.00 0.00 ? 7 GLU B HG2 13 ATOM 17851 H HG3 . GLU B 1 7 ? 22.847 0.492 -5.094 1.00 0.00 ? 7 GLU B HG3 13 ATOM 17852 N N . ASN B 1 8 ? 21.214 -4.068 -5.032 1.00 0.00 ? 8 ASN B N 13 ATOM 17853 C CA . ASN B 1 8 ? 20.149 -4.850 -5.648 1.00 0.00 ? 8 ASN B CA 13 ATOM 17854 C C . ASN B 1 8 ? 18.902 -4.824 -4.775 1.00 0.00 ? 8 ASN B C 13 ATOM 17855 O O . ASN B 1 8 ? 17.841 -4.372 -5.205 1.00 0.00 ? 8 ASN B O 13 ATOM 17856 C CB . ASN B 1 8 ? 20.604 -6.293 -5.871 1.00 0.00 ? 8 ASN B CB 13 ATOM 17857 C CG . ASN B 1 8 ? 21.093 -6.533 -7.286 1.00 0.00 ? 8 ASN B CG 13 ATOM 17858 O OD1 . ASN B 1 8 ? 21.640 -5.636 -7.927 1.00 0.00 ? 8 ASN B OD1 13 ATOM 17859 N ND2 . ASN B 1 8 ? 20.897 -7.749 -7.782 1.00 0.00 ? 8 ASN B ND2 13 ATOM 17860 H H . ASN B 1 8 ? 21.984 -4.532 -4.641 1.00 0.00 ? 8 ASN B H 13 ATOM 17861 H HA . ASN B 1 8 ? 19.915 -4.400 -6.601 1.00 0.00 ? 8 ASN B HA 13 ATOM 17862 H HB2 . ASN B 1 8 ? 21.410 -6.519 -5.189 1.00 0.00 ? 8 ASN B HB2 13 ATOM 17863 H HB3 . ASN B 1 8 ? 19.776 -6.959 -5.677 1.00 0.00 ? 8 ASN B HB3 13 ATOM 17864 H HD21 . ASN B 1 8 ? 20.455 -8.414 -7.214 1.00 0.00 ? 8 ASN B HD21 13 ATOM 17865 H HD22 . ASN B 1 8 ? 21.204 -7.932 -8.695 1.00 0.00 ? 8 ASN B HD22 13 ATOM 17866 N N . GLU B 1 9 ? 19.041 -5.294 -3.540 1.00 0.00 ? 9 GLU B N 13 ATOM 17867 C CA . GLU B 1 9 ? 17.927 -5.304 -2.603 1.00 0.00 ? 9 GLU B CA 13 ATOM 17868 C C . GLU B 1 9 ? 17.356 -3.897 -2.443 1.00 0.00 ? 9 GLU B C 13 ATOM 17869 O O . GLU B 1 9 ? 16.206 -3.725 -2.039 1.00 0.00 ? 9 GLU B O 13 ATOM 17870 C CB . GLU B 1 9 ? 18.376 -5.845 -1.246 1.00 0.00 ? 9 GLU B CB 13 ATOM 17871 C CG . GLU B 1 9 ? 18.212 -7.350 -1.106 1.00 0.00 ? 9 GLU B CG 13 ATOM 17872 C CD . GLU B 1 9 ? 18.893 -8.116 -2.224 1.00 0.00 ? 9 GLU B CD 13 ATOM 17873 O OE1 . GLU B 1 9 ? 18.533 -7.895 -3.399 1.00 0.00 ? 9 GLU B OE1 13 ATOM 17874 O OE2 . GLU B 1 9 ? 19.785 -8.937 -1.925 1.00 0.00 ? 9 GLU B OE2 13 ATOM 17875 H H . GLU B 1 9 ? 19.916 -5.629 -3.249 1.00 0.00 ? 9 GLU B H 13 ATOM 17876 H HA . GLU B 1 9 ? 17.159 -5.948 -3.005 1.00 0.00 ? 9 GLU B HA 13 ATOM 17877 H HB2 . GLU B 1 9 ? 19.418 -5.603 -1.101 1.00 0.00 ? 9 GLU B HB2 13 ATOM 17878 H HB3 . GLU B 1 9 ? 17.795 -5.369 -0.470 1.00 0.00 ? 9 GLU B HB3 13 ATOM 17879 H HG2 . GLU B 1 9 ? 18.642 -7.661 -0.166 1.00 0.00 ? 9 GLU B HG2 13 ATOM 17880 H HG3 . GLU B 1 9 ? 17.159 -7.587 -1.116 1.00 0.00 ? 9 GLU B HG3 13 ATOM 17881 N N . ILE B 1 10 ? 18.170 -2.893 -2.762 1.00 0.00 ? 10 ILE B N 13 ATOM 17882 C CA . ILE B 1 10 ? 17.753 -1.504 -2.658 1.00 0.00 ? 10 ILE B CA 13 ATOM 17883 C C . ILE B 1 10 ? 16.722 -1.167 -3.742 1.00 0.00 ? 10 ILE B C 13 ATOM 17884 O O . ILE B 1 10 ? 15.636 -0.672 -3.448 1.00 0.00 ? 10 ILE B O 13 ATOM 17885 C CB . ILE B 1 10 ? 18.999 -0.557 -2.713 1.00 0.00 ? 10 ILE B CB 13 ATOM 17886 C CG1 . ILE B 1 10 ? 19.056 0.312 -1.457 1.00 0.00 ? 10 ILE B CG1 13 ATOM 17887 C CG2 . ILE B 1 10 ? 19.046 0.322 -3.966 1.00 0.00 ? 10 ILE B CG2 13 ATOM 17888 C CD1 . ILE B 1 10 ? 20.291 0.067 -0.618 1.00 0.00 ? 10 ILE B CD1 13 ATOM 17889 H H . ILE B 1 10 ? 19.076 -3.090 -3.077 1.00 0.00 ? 10 ILE B H 13 ATOM 17890 H HA . ILE B 1 10 ? 17.282 -1.381 -1.692 1.00 0.00 ? 10 ILE B HA 13 ATOM 17891 H HB . ILE B 1 10 ? 19.879 -1.183 -2.729 1.00 0.00 ? 10 ILE B HB 13 ATOM 17892 H HG12 . ILE B 1 10 ? 19.051 1.352 -1.745 1.00 0.00 ? 10 ILE B HG12 13 ATOM 17893 H HG13 . ILE B 1 10 ? 18.191 0.107 -0.843 1.00 0.00 ? 10 ILE B HG13 13 ATOM 17894 H HG21 . ILE B 1 10 ? 18.149 0.922 -4.018 1.00 0.00 ? 10 ILE B HG21 13 ATOM 17895 H HG22 . ILE B 1 10 ? 19.910 0.970 -3.918 1.00 0.00 ? 10 ILE B HG22 13 ATOM 17896 H HG23 . ILE B 1 10 ? 19.113 -0.304 -4.843 1.00 0.00 ? 10 ILE B HG23 13 ATOM 17897 H HD11 . ILE B 1 10 ? 20.869 -0.735 -1.055 1.00 0.00 ? 10 ILE B HD11 13 ATOM 17898 H HD12 . ILE B 1 10 ? 20.890 0.966 -0.589 1.00 0.00 ? 10 ILE B HD12 13 ATOM 17899 H HD13 . ILE B 1 10 ? 19.999 -0.203 0.384 1.00 0.00 ? 10 ILE B HD13 13 ATOM 17900 N N . SER B 1 11 ? 17.076 -1.441 -4.993 1.00 0.00 ? 11 SER B N 13 ATOM 17901 C CA . SER B 1 11 ? 16.184 -1.165 -6.113 1.00 0.00 ? 11 SER B CA 13 ATOM 17902 C C . SER B 1 11 ? 14.893 -1.967 -5.993 1.00 0.00 ? 11 SER B C 13 ATOM 17903 O O . SER B 1 11 ? 13.858 -1.579 -6.537 1.00 0.00 ? 11 SER B O 13 ATOM 17904 C CB . SER B 1 11 ? 16.878 -1.490 -7.437 1.00 0.00 ? 11 SER B CB 13 ATOM 17905 O OG . SER B 1 11 ? 16.479 -0.591 -8.457 1.00 0.00 ? 11 SER B OG 13 ATOM 17906 H H . SER B 1 11 ? 17.956 -1.837 -5.168 1.00 0.00 ? 11 SER B H 13 ATOM 17907 H HA . SER B 1 11 ? 15.942 -0.113 -6.092 1.00 0.00 ? 11 SER B HA 13 ATOM 17908 H HB2 . SER B 1 11 ? 17.947 -1.415 -7.308 1.00 0.00 ? 11 SER B HB2 13 ATOM 17909 H HB3 . SER B 1 11 ? 16.622 -2.494 -7.739 1.00 0.00 ? 11 SER B HB3 13 ATOM 17910 H HG . SER B 1 11 ? 17.017 -0.733 -9.239 1.00 0.00 ? 11 SER B HG 13 ATOM 17911 N N . HIS B 1 12 ? 14.959 -3.085 -5.279 1.00 0.00 ? 12 HIS B N 13 ATOM 17912 C CA . HIS B 1 12 ? 13.794 -3.937 -5.092 1.00 0.00 ? 12 HIS B CA 13 ATOM 17913 C C . HIS B 1 12 ? 12.829 -3.309 -4.081 1.00 0.00 ? 12 HIS B C 13 ATOM 17914 O O . HIS B 1 12 ? 11.624 -3.243 -4.323 1.00 0.00 ? 12 HIS B O 13 ATOM 17915 C CB . HIS B 1 12 ? 14.251 -5.357 -4.679 1.00 0.00 ? 12 HIS B CB 13 ATOM 17916 C CG . HIS B 1 12 ? 13.535 -5.965 -3.506 1.00 0.00 ? 12 HIS B CG 13 ATOM 17917 N ND1 . HIS B 1 12 ? 12.281 -6.532 -3.596 1.00 0.00 ? 12 HIS B ND1 13 ATOM 17918 C CD2 . HIS B 1 12 ? 13.912 -6.092 -2.213 1.00 0.00 ? 12 HIS B CD2 13 ATOM 17919 C CE1 . HIS B 1 12 ? 11.916 -6.981 -2.407 1.00 0.00 ? 12 HIS B CE1 13 ATOM 17920 N NE2 . HIS B 1 12 ? 12.888 -6.726 -1.552 1.00 0.00 ? 12 HIS B NE2 13 ATOM 17921 H H . HIS B 1 12 ? 15.811 -3.343 -4.868 1.00 0.00 ? 12 HIS B H 13 ATOM 17922 H HA . HIS B 1 12 ? 13.287 -4.000 -6.044 1.00 0.00 ? 12 HIS B HA 13 ATOM 17923 H HB2 . HIS B 1 12 ? 14.113 -6.020 -5.518 1.00 0.00 ? 12 HIS B HB2 13 ATOM 17924 H HB3 . HIS B 1 12 ? 15.304 -5.322 -4.438 1.00 0.00 ? 12 HIS B HB3 13 ATOM 17925 H HD1 . HIS B 1 12 ? 11.738 -6.596 -4.409 1.00 0.00 ? 12 HIS B HD1 13 ATOM 17926 H HD2 . HIS B 1 12 ? 14.843 -5.754 -1.782 1.00 0.00 ? 12 HIS B HD2 13 ATOM 17927 H HE1 . HIS B 1 12 ? 10.983 -7.472 -2.176 1.00 0.00 ? 12 HIS B HE1 13 ATOM 17928 H HE2 . HIS B 1 12 ? 12.879 -6.953 -0.599 1.00 0.00 ? 12 HIS B HE2 13 ATOM 17929 N N . HIS B 1 13 ? 13.361 -2.843 -2.954 1.00 0.00 ? 13 HIS B N 13 ATOM 17930 C CA . HIS B 1 13 ? 12.528 -2.219 -1.933 1.00 0.00 ? 13 HIS B CA 13 ATOM 17931 C C . HIS B 1 13 ? 11.862 -0.968 -2.487 1.00 0.00 ? 13 HIS B C 13 ATOM 17932 O O . HIS B 1 13 ? 10.785 -0.580 -2.040 1.00 0.00 ? 13 HIS B O 13 ATOM 17933 C CB . HIS B 1 13 ? 13.350 -1.854 -0.698 1.00 0.00 ? 13 HIS B CB 13 ATOM 17934 C CG . HIS B 1 13 ? 14.066 -3.007 -0.077 1.00 0.00 ? 13 HIS B CG 13 ATOM 17935 N ND1 . HIS B 1 13 ? 13.597 -4.304 -0.114 1.00 0.00 ? 13 HIS B ND1 13 ATOM 17936 C CD2 . HIS B 1 13 ? 15.229 -3.046 0.608 1.00 0.00 ? 13 HIS B CD2 13 ATOM 17937 C CE1 . HIS B 1 13 ? 14.444 -5.092 0.526 1.00 0.00 ? 13 HIS B CE1 13 ATOM 17938 N NE2 . HIS B 1 13 ? 15.442 -4.353 0.972 1.00 0.00 ? 13 HIS B NE2 13 ATOM 17939 H H . HIS B 1 13 ? 14.328 -2.914 -2.810 1.00 0.00 ? 13 HIS B H 13 ATOM 17940 H HA . HIS B 1 13 ? 11.762 -2.926 -1.651 1.00 0.00 ? 13 HIS B HA 13 ATOM 17941 H HB2 . HIS B 1 13 ? 14.090 -1.120 -0.971 1.00 0.00 ? 13 HIS B HB2 13 ATOM 17942 H HB3 . HIS B 1 13 ? 12.692 -1.433 0.048 1.00 0.00 ? 13 HIS B HB3 13 ATOM 17943 H HD1 . HIS B 1 13 ? 12.769 -4.602 -0.544 1.00 0.00 ? 13 HIS B HD1 13 ATOM 17944 H HD2 . HIS B 1 13 ? 15.865 -2.203 0.829 1.00 0.00 ? 13 HIS B HD2 13 ATOM 17945 H HE1 . HIS B 1 13 ? 14.338 -6.159 0.658 1.00 0.00 ? 13 HIS B HE1 13 ATOM 17946 H HE2 . HIS B 1 13 ? 16.211 -4.686 1.481 1.00 0.00 ? 13 HIS B HE2 13 ATOM 17947 N N . ALA B 1 14 ? 12.510 -0.339 -3.463 1.00 0.00 ? 14 ALA B N 13 ATOM 17948 C CA . ALA B 1 14 ? 11.976 0.869 -4.079 1.00 0.00 ? 14 ALA B CA 13 ATOM 17949 C C . ALA B 1 14 ? 10.732 0.541 -4.887 1.00 0.00 ? 14 ALA B C 13 ATOM 17950 O O . ALA B 1 14 ? 9.663 1.107 -4.658 1.00 0.00 ? 14 ALA B O 13 ATOM 17951 C CB . ALA B 1 14 ? 13.027 1.529 -4.957 1.00 0.00 ? 14 ALA B CB 13 ATOM 17952 H H . ALA B 1 14 ? 13.367 -0.697 -3.778 1.00 0.00 ? 14 ALA B H 13 ATOM 17953 H HA . ALA B 1 14 ? 11.709 1.558 -3.288 1.00 0.00 ? 14 ALA B HA 13 ATOM 17954 H HB1 . ALA B 1 14 ? 13.601 0.769 -5.466 1.00 0.00 ? 14 ALA B HB1 13 ATOM 17955 H HB2 . ALA B 1 14 ? 13.686 2.126 -4.344 1.00 0.00 ? 14 ALA B HB2 13 ATOM 17956 H HB3 . ALA B 1 14 ? 12.542 2.162 -5.685 1.00 0.00 ? 14 ALA B HB3 13 ATOM 17957 N N . LYS B 1 15 ? 10.871 -0.393 -5.821 1.00 0.00 ? 15 LYS B N 13 ATOM 17958 C CA . LYS B 1 15 ? 9.745 -0.809 -6.644 1.00 0.00 ? 15 LYS B CA 13 ATOM 17959 C C . LYS B 1 15 ? 8.653 -1.423 -5.771 1.00 0.00 ? 15 LYS B C 13 ATOM 17960 O O . LYS B 1 15 ? 7.497 -1.519 -6.182 1.00 0.00 ? 15 LYS B O 13 ATOM 17961 C CB . LYS B 1 15 ? 10.199 -1.813 -7.703 1.00 0.00 ? 15 LYS B CB 13 ATOM 17962 C CG . LYS B 1 15 ? 9.902 -1.371 -9.127 1.00 0.00 ? 15 LYS B CG 13 ATOM 17963 C CD . LYS B 1 15 ? 10.944 -1.897 -10.102 1.00 0.00 ? 15 LYS B CD 13 ATOM 17964 C CE . LYS B 1 15 ? 10.917 -1.127 -11.412 1.00 0.00 ? 15 LYS B CE 13 ATOM 17965 N NZ . LYS B 1 15 ? 11.500 -1.918 -12.532 1.00 0.00 ? 15 LYS B NZ 13 ATOM 17966 H H . LYS B 1 15 ? 11.745 -0.823 -5.949 1.00 0.00 ? 15 LYS B H 13 ATOM 17967 H HA . LYS B 1 15 ? 9.348 0.069 -7.133 1.00 0.00 ? 15 LYS B HA 13 ATOM 17968 H HB2 . LYS B 1 15 ? 11.264 -1.961 -7.610 1.00 0.00 ? 15 LYS B HB2 13 ATOM 17969 H HB3 . LYS B 1 15 ? 9.697 -2.754 -7.529 1.00 0.00 ? 15 LYS B HB3 13 ATOM 17970 H HG2 . LYS B 1 15 ? 8.931 -1.748 -9.416 1.00 0.00 ? 15 LYS B HG2 13 ATOM 17971 H HG3 . LYS B 1 15 ? 9.897 -0.292 -9.165 1.00 0.00 ? 15 LYS B HG3 13 ATOM 17972 H HD2 . LYS B 1 15 ? 11.922 -1.796 -9.657 1.00 0.00 ? 15 LYS B HD2 13 ATOM 17973 H HD3 . LYS B 1 15 ? 10.742 -2.939 -10.301 1.00 0.00 ? 15 LYS B HD3 13 ATOM 17974 H HE2 . LYS B 1 15 ? 9.893 -0.884 -11.652 1.00 0.00 ? 15 LYS B HE2 13 ATOM 17975 H HE3 . LYS B 1 15 ? 11.485 -0.216 -11.292 1.00 0.00 ? 15 LYS B HE3 13 ATOM 17976 H HZ1 . LYS B 1 15 ? 11.490 -2.931 -12.299 1.00 0.00 ? 15 LYS B HZ1 13 ATOM 17977 H HZ2 . LYS B 1 15 ? 10.950 -1.767 -13.402 1.00 0.00 ? 15 LYS B HZ2 13 ATOM 17978 H HZ3 . LYS B 1 15 ? 12.484 -1.623 -12.703 1.00 0.00 ? 15 LYS B HZ3 13 ATOM 17979 N N . GLU B 1 16 ? 9.030 -1.838 -4.560 1.00 0.00 ? 16 GLU B N 13 ATOM 17980 C CA . GLU B 1 16 ? 8.087 -2.440 -3.630 1.00 0.00 ? 16 GLU B CA 13 ATOM 17981 C C . GLU B 1 16 ? 7.247 -1.376 -2.934 1.00 0.00 ? 16 GLU B C 13 ATOM 17982 O O . GLU B 1 16 ? 6.058 -1.578 -2.693 1.00 0.00 ? 16 GLU B O 13 ATOM 17983 C CB . GLU B 1 16 ? 8.829 -3.281 -2.590 1.00 0.00 ? 16 GLU B CB 13 ATOM 17984 C CG . GLU B 1 16 ? 9.257 -4.646 -3.103 1.00 0.00 ? 16 GLU B CG 13 ATOM 17985 C CD . GLU B 1 16 ? 8.102 -5.625 -3.188 1.00 0.00 ? 16 GLU B CD 13 ATOM 17986 O OE1 . GLU B 1 16 ? 7.312 -5.529 -4.152 1.00 0.00 ? 16 GLU B OE1 13 ATOM 17987 O OE2 . GLU B 1 16 ? 7.987 -6.487 -2.292 1.00 0.00 ? 16 GLU B OE2 13 ATOM 17988 H H . GLU B 1 16 ? 9.963 -1.737 -4.286 1.00 0.00 ? 16 GLU B H 13 ATOM 17989 H HA . GLU B 1 16 ? 7.430 -3.085 -4.196 1.00 0.00 ? 16 GLU B HA 13 ATOM 17990 H HB2 . GLU B 1 16 ? 9.713 -2.745 -2.276 1.00 0.00 ? 16 GLU B HB2 13 ATOM 17991 H HB3 . GLU B 1 16 ? 8.185 -3.427 -1.736 1.00 0.00 ? 16 GLU B HB3 13 ATOM 17992 H HG2 . GLU B 1 16 ? 9.682 -4.529 -4.089 1.00 0.00 ? 16 GLU B HG2 13 ATOM 17993 H HG3 . GLU B 1 16 ? 10.004 -5.050 -2.436 1.00 0.00 ? 16 GLU B HG3 13 ATOM 17994 N N . ILE B 1 17 ? 7.863 -0.240 -2.608 1.00 0.00 ? 17 ILE B N 13 ATOM 17995 C CA . ILE B 1 17 ? 7.144 0.838 -1.938 1.00 0.00 ? 17 ILE B CA 13 ATOM 17996 C C . ILE B 1 17 ? 6.202 1.554 -2.908 1.00 0.00 ? 17 ILE B C 13 ATOM 17997 O O . ILE B 1 17 ? 5.116 1.993 -2.526 1.00 0.00 ? 17 ILE B O 13 ATOM 17998 C CB . ILE B 1 17 ? 8.121 1.849 -1.284 1.00 0.00 ? 17 ILE B CB 13 ATOM 17999 C CG1 . ILE B 1 17 ? 8.661 2.864 -2.301 1.00 0.00 ? 17 ILE B CG1 13 ATOM 18000 C CG2 . ILE B 1 17 ? 9.273 1.109 -0.630 1.00 0.00 ? 17 ILE B CG2 13 ATOM 18001 C CD1 . ILE B 1 17 ? 7.908 4.176 -2.303 1.00 0.00 ? 17 ILE B CD1 13 ATOM 18002 H H . ILE B 1 17 ? 8.819 -0.125 -2.817 1.00 0.00 ? 17 ILE B H 13 ATOM 18003 H HA . ILE B 1 17 ? 6.546 0.395 -1.153 1.00 0.00 ? 17 ILE B HA 13 ATOM 18004 H HB . ILE B 1 17 ? 7.587 2.374 -0.506 1.00 0.00 ? 17 ILE B HB 13 ATOM 18005 H HG12 . ILE B 1 17 ? 9.695 3.077 -2.073 1.00 0.00 ? 17 ILE B HG12 13 ATOM 18006 H HG13 . ILE B 1 17 ? 8.595 2.441 -3.292 1.00 0.00 ? 17 ILE B HG13 13 ATOM 18007 H HG21 . ILE B 1 17 ? 9.115 0.044 -0.717 1.00 0.00 ? 17 ILE B HG21 13 ATOM 18008 H HG22 . ILE B 1 17 ? 10.197 1.377 -1.119 1.00 0.00 ? 17 ILE B HG22 13 ATOM 18009 H HG23 . ILE B 1 17 ? 9.326 1.381 0.409 1.00 0.00 ? 17 ILE B HG23 13 ATOM 18010 H HD11 . ILE B 1 17 ? 6.852 3.985 -2.421 1.00 0.00 ? 17 ILE B HD11 13 ATOM 18011 H HD12 . ILE B 1 17 ? 8.079 4.691 -1.368 1.00 0.00 ? 17 ILE B HD12 13 ATOM 18012 H HD13 . ILE B 1 17 ? 8.257 4.790 -3.121 1.00 0.00 ? 17 ILE B HD13 13 ATOM 18013 N N . GLU B 1 18 ? 6.625 1.661 -4.163 1.00 0.00 ? 18 GLU B N 13 ATOM 18014 C CA . GLU B 1 18 ? 5.820 2.316 -5.187 1.00 0.00 ? 18 GLU B CA 13 ATOM 18015 C C . GLU B 1 18 ? 4.690 1.405 -5.649 1.00 0.00 ? 18 GLU B C 13 ATOM 18016 O O . GLU B 1 18 ? 3.586 1.865 -5.940 1.00 0.00 ? 18 GLU B O 13 ATOM 18017 C CB . GLU B 1 18 ? 6.694 2.712 -6.378 1.00 0.00 ? 18 GLU B CB 13 ATOM 18018 C CG . GLU B 1 18 ? 6.313 4.047 -6.996 1.00 0.00 ? 18 GLU B CG 13 ATOM 18019 C CD . GLU B 1 18 ? 7.518 4.839 -7.465 1.00 0.00 ? 18 GLU B CD 13 ATOM 18020 O OE1 . GLU B 1 18 ? 8.304 5.287 -6.605 1.00 0.00 ? 18 GLU B OE1 13 ATOM 18021 O OE2 . GLU B 1 18 ? 7.675 5.009 -8.692 1.00 0.00 ? 18 GLU B OE2 13 ATOM 18022 H H . GLU B 1 18 ? 7.497 1.288 -4.409 1.00 0.00 ? 18 GLU B H 13 ATOM 18023 H HA . GLU B 1 18 ? 5.393 3.208 -4.753 1.00 0.00 ? 18 GLU B HA 13 ATOM 18024 H HB2 . GLU B 1 18 ? 7.723 2.771 -6.053 1.00 0.00 ? 18 GLU B HB2 13 ATOM 18025 H HB3 . GLU B 1 18 ? 6.610 1.950 -7.140 1.00 0.00 ? 18 GLU B HB3 13 ATOM 18026 H HG2 . GLU B 1 18 ? 5.669 3.867 -7.845 1.00 0.00 ? 18 GLU B HG2 13 ATOM 18027 H HG3 . GLU B 1 18 ? 5.781 4.632 -6.259 1.00 0.00 ? 18 GLU B HG3 13 ATOM 18028 N N . ARG B 1 19 ? 4.973 0.107 -5.710 1.00 0.00 ? 19 ARG B N 13 ATOM 18029 C CA . ARG B 1 19 ? 3.977 -0.870 -6.133 1.00 0.00 ? 19 ARG B CA 13 ATOM 18030 C C . ARG B 1 19 ? 2.925 -1.067 -5.048 1.00 0.00 ? 19 ARG B C 13 ATOM 18031 O O . ARG B 1 19 ? 1.754 -1.318 -5.343 1.00 0.00 ? 19 ARG B O 13 ATOM 18032 C CB . ARG B 1 19 ? 4.648 -2.205 -6.460 1.00 0.00 ? 19 ARG B CB 13 ATOM 18033 C CG . ARG B 1 19 ? 3.711 -3.214 -7.105 1.00 0.00 ? 19 ARG B CG 13 ATOM 18034 C CD . ARG B 1 19 ? 4.478 -4.377 -7.712 1.00 0.00 ? 19 ARG B CD 13 ATOM 18035 N NE . ARG B 1 19 ? 5.179 -3.993 -8.933 1.00 0.00 ? 19 ARG B NE 13 ATOM 18036 C CZ . ARG B 1 19 ? 5.735 -4.865 -9.768 1.00 0.00 ? 19 ARG B CZ 13 ATOM 18037 N NH1 . ARG B 1 19 ? 5.669 -6.165 -9.514 1.00 0.00 ? 19 ARG B NH1 13 ATOM 18038 N NH2 . ARG B 1 19 ? 6.356 -4.439 -10.859 1.00 0.00 ? 19 ARG B NH2 13 ATOM 18039 H H . ARG B 1 19 ? 5.870 -0.200 -5.462 1.00 0.00 ? 19 ARG B H 13 ATOM 18040 H HA . ARG B 1 19 ? 3.495 -0.490 -7.021 1.00 0.00 ? 19 ARG B HA 13 ATOM 18041 H HB2 . ARG B 1 19 ? 5.470 -2.026 -7.138 1.00 0.00 ? 19 ARG B HB2 13 ATOM 18042 H HB3 . ARG B 1 19 ? 5.032 -2.636 -5.548 1.00 0.00 ? 19 ARG B HB3 13 ATOM 18043 H HG2 . ARG B 1 19 ? 3.034 -3.594 -6.354 1.00 0.00 ? 19 ARG B HG2 13 ATOM 18044 H HG3 . ARG B 1 19 ? 3.148 -2.720 -7.883 1.00 0.00 ? 19 ARG B HG3 13 ATOM 18045 H HD2 . ARG B 1 19 ? 5.199 -4.732 -6.990 1.00 0.00 ? 19 ARG B HD2 13 ATOM 18046 H HD3 . ARG B 1 19 ? 3.781 -5.170 -7.942 1.00 0.00 ? 19 ARG B HD3 13 ATOM 18047 H HE . ARG B 1 19 ? 5.241 -3.037 -9.141 1.00 0.00 ? 19 ARG B HE 13 ATOM 18048 H HH11 . ARG B 1 19 ? 5.201 -6.490 -8.692 1.00 0.00 ? 19 ARG B HH11 13 ATOM 18049 H HH12 . ARG B 1 19 ? 6.087 -6.819 -10.143 1.00 0.00 ? 19 ARG B HH12 13 ATOM 18050 H HH21 . ARG B 1 19 ? 6.408 -3.459 -11.055 1.00 0.00 ? 19 ARG B HH21 13 ATOM 18051 H HH22 . ARG B 1 19 ? 6.774 -5.096 -11.486 1.00 0.00 ? 19 ARG B HH22 13 ATOM 18052 N N . LEU B 1 20 ? 3.345 -0.943 -3.793 1.00 0.00 ? 20 LEU B N 13 ATOM 18053 C CA . LEU B 1 20 ? 2.434 -1.101 -2.670 1.00 0.00 ? 20 LEU B CA 13 ATOM 18054 C C . LEU B 1 20 ? 1.474 0.079 -2.599 1.00 0.00 ? 20 LEU B C 13 ATOM 18055 O O . LEU B 1 20 ? 0.284 -0.091 -2.334 1.00 0.00 ? 20 LEU B O 13 ATOM 18056 C CB . LEU B 1 20 ? 3.217 -1.222 -1.362 1.00 0.00 ? 20 LEU B CB 13 ATOM 18057 C CG . LEU B 1 20 ? 3.993 -2.530 -1.191 1.00 0.00 ? 20 LEU B CG 13 ATOM 18058 C CD1 . LEU B 1 20 ? 5.189 -2.325 -0.274 1.00 0.00 ? 20 LEU B CD1 13 ATOM 18059 C CD2 . LEU B 1 20 ? 3.082 -3.621 -0.646 1.00 0.00 ? 20 LEU B CD2 13 ATOM 18060 H H . LEU B 1 20 ? 4.286 -0.734 -3.620 1.00 0.00 ? 20 LEU B H 13 ATOM 18061 H HA . LEU B 1 20 ? 1.865 -2.005 -2.827 1.00 0.00 ? 20 LEU B HA 13 ATOM 18062 H HB2 . LEU B 1 20 ? 3.918 -0.402 -1.308 1.00 0.00 ? 20 LEU B HB2 13 ATOM 18063 H HB3 . LEU B 1 20 ? 2.523 -1.133 -0.542 1.00 0.00 ? 20 LEU B HB3 13 ATOM 18064 H HG . LEU B 1 20 ? 4.362 -2.852 -2.154 1.00 0.00 ? 20 LEU B HG 13 ATOM 18065 H HD11 . LEU B 1 20 ? 5.390 -1.268 -0.175 1.00 0.00 ? 20 LEU B HD11 13 ATOM 18066 H HD12 . LEU B 1 20 ? 4.973 -2.743 0.698 1.00 0.00 ? 20 LEU B HD12 13 ATOM 18067 H HD13 . LEU B 1 20 ? 6.052 -2.819 -0.694 1.00 0.00 ? 20 LEU B HD13 13 ATOM 18068 H HD21 . LEU B 1 20 ? 2.170 -3.177 -0.277 1.00 0.00 ? 20 LEU B HD21 13 ATOM 18069 H HD22 . LEU B 1 20 ? 2.849 -4.321 -1.434 1.00 0.00 ? 20 LEU B HD22 13 ATOM 18070 H HD23 . LEU B 1 20 ? 3.582 -4.138 0.159 1.00 0.00 ? 20 LEU B HD23 13 ATOM 18071 N N . GLN B 1 21 ? 2.000 1.276 -2.845 1.00 0.00 ? 21 GLN B N 13 ATOM 18072 C CA . GLN B 1 21 ? 1.189 2.486 -2.816 1.00 0.00 ? 21 GLN B CA 13 ATOM 18073 C C . GLN B 1 21 ? 0.107 2.432 -3.888 1.00 0.00 ? 21 GLN B C 13 ATOM 18074 O O . GLN B 1 21 ? -1.042 2.801 -3.645 1.00 0.00 ? 21 GLN B O 13 ATOM 18075 C CB . GLN B 1 21 ? 2.069 3.721 -3.023 1.00 0.00 ? 21 GLN B CB 13 ATOM 18076 C CG . GLN B 1 21 ? 1.661 4.909 -2.168 1.00 0.00 ? 21 GLN B CG 13 ATOM 18077 C CD . GLN B 1 21 ? 0.588 5.757 -2.824 1.00 0.00 ? 21 GLN B CD 13 ATOM 18078 O OE1 . GLN B 1 21 ? 0.881 6.774 -3.451 1.00 0.00 ? 21 GLN B OE1 13 ATOM 18079 N NE2 . GLN B 1 21 ? -0.665 5.341 -2.680 1.00 0.00 ? 21 GLN B NE2 13 ATOM 18080 H H . GLN B 1 21 ? 2.956 1.345 -3.054 1.00 0.00 ? 21 GLN B H 13 ATOM 18081 H HA . GLN B 1 21 ? 0.718 2.548 -1.847 1.00 0.00 ? 21 GLN B HA 13 ATOM 18082 H HB2 . GLN B 1 21 ? 3.090 3.466 -2.783 1.00 0.00 ? 21 GLN B HB2 13 ATOM 18083 H HB3 . GLN B 1 21 ? 2.016 4.016 -4.061 1.00 0.00 ? 21 GLN B HB3 13 ATOM 18084 H HG2 . GLN B 1 21 ? 1.283 4.545 -1.225 1.00 0.00 ? 21 GLN B HG2 13 ATOM 18085 H HG3 . GLN B 1 21 ? 2.530 5.526 -1.993 1.00 0.00 ? 21 GLN B HG3 13 ATOM 18086 H HE21 . GLN B 1 21 ? -0.825 4.522 -2.166 1.00 0.00 ? 21 GLN B HE21 13 ATOM 18087 H HE22 . GLN B 1 21 ? -1.379 5.870 -3.093 1.00 0.00 ? 21 GLN B HE22 13 ATOM 18088 N N . LYS B 1 22 ? 0.480 1.965 -5.075 1.00 0.00 ? 22 LYS B N 13 ATOM 18089 C CA . LYS B 1 22 ? -0.464 1.858 -6.182 1.00 0.00 ? 22 LYS B CA 13 ATOM 18090 C C . LYS B 1 22 ? -1.574 0.868 -5.848 1.00 0.00 ? 22 LYS B C 13 ATOM 18091 O O . LYS B 1 22 ? -2.729 1.064 -6.224 1.00 0.00 ? 22 LYS B O 13 ATOM 18092 C CB . LYS B 1 22 ? 0.260 1.424 -7.458 1.00 0.00 ? 22 LYS B CB 13 ATOM 18093 C CG . LYS B 1 22 ? 1.080 2.532 -8.099 1.00 0.00 ? 22 LYS B CG 13 ATOM 18094 C CD . LYS B 1 22 ? 1.879 2.017 -9.285 1.00 0.00 ? 22 LYS B CD 13 ATOM 18095 C CE . LYS B 1 22 ? 3.347 1.839 -8.932 1.00 0.00 ? 22 LYS B CE 13 ATOM 18096 N NZ . LYS B 1 22 ? 4.241 2.229 -10.058 1.00 0.00 ? 22 LYS B NZ 13 ATOM 18097 H H . LYS B 1 22 ? 1.409 1.682 -5.209 1.00 0.00 ? 22 LYS B H 13 ATOM 18098 H HA . LYS B 1 22 ? -0.902 2.832 -6.339 1.00 0.00 ? 22 LYS B HA 13 ATOM 18099 H HB2 . LYS B 1 22 ? 0.924 0.606 -7.221 1.00 0.00 ? 22 LYS B HB2 13 ATOM 18100 H HB3 . LYS B 1 22 ? -0.472 1.086 -8.175 1.00 0.00 ? 22 LYS B HB3 13 ATOM 18101 H HG2 . LYS B 1 22 ? 0.412 3.310 -8.438 1.00 0.00 ? 22 LYS B HG2 13 ATOM 18102 H HG3 . LYS B 1 22 ? 1.761 2.934 -7.364 1.00 0.00 ? 22 LYS B HG3 13 ATOM 18103 H HD2 . LYS B 1 22 ? 1.476 1.064 -9.593 1.00 0.00 ? 22 LYS B HD2 13 ATOM 18104 H HD3 . LYS B 1 22 ? 1.797 2.725 -10.097 1.00 0.00 ? 22 LYS B HD3 13 ATOM 18105 H HE2 . LYS B 1 22 ? 3.575 2.454 -8.074 1.00 0.00 ? 22 LYS B HE2 13 ATOM 18106 H HE3 . LYS B 1 22 ? 3.521 0.802 -8.687 1.00 0.00 ? 22 LYS B HE3 13 ATOM 18107 H HZ1 . LYS B 1 22 ? 4.058 3.215 -10.334 1.00 0.00 ? 22 LYS B HZ1 13 ATOM 18108 H HZ2 . LYS B 1 22 ? 5.236 2.141 -9.771 1.00 0.00 ? 22 LYS B HZ2 13 ATOM 18109 H HZ3 . LYS B 1 22 ? 4.071 1.612 -10.878 1.00 0.00 ? 22 LYS B HZ3 13 ATOM 18110 N N . GLU B 1 23 ? -1.213 -0.198 -5.140 1.00 0.00 ? 23 GLU B N 13 ATOM 18111 C CA . GLU B 1 23 ? -2.177 -1.220 -4.753 1.00 0.00 ? 23 GLU B CA 13 ATOM 18112 C C . GLU B 1 23 ? -3.204 -0.660 -3.772 1.00 0.00 ? 23 GLU B C 13 ATOM 18113 O O . GLU B 1 23 ? -4.392 -0.977 -3.854 1.00 0.00 ? 23 GLU B O 13 ATOM 18114 C CB . GLU B 1 23 ? -1.458 -2.417 -4.126 1.00 0.00 ? 23 GLU B CB 13 ATOM 18115 C CG . GLU B 1 23 ? -1.781 -3.740 -4.801 1.00 0.00 ? 23 GLU B CG 13 ATOM 18116 C CD . GLU B 1 23 ? -0.912 -4.877 -4.300 1.00 0.00 ? 23 GLU B CD 13 ATOM 18117 O OE1 . GLU B 1 23 ? 0.103 -4.597 -3.628 1.00 0.00 ? 23 GLU B OE1 13 ATOM 18118 O OE2 . GLU B 1 23 ? -1.245 -6.047 -4.580 1.00 0.00 ? 23 GLU B OE2 13 ATOM 18119 H H . GLU B 1 23 ? -0.276 -0.297 -4.869 1.00 0.00 ? 23 GLU B H 13 ATOM 18120 H HA . GLU B 1 23 ? -2.690 -1.546 -5.645 1.00 0.00 ? 23 GLU B HA 13 ATOM 18121 H HB2 . GLU B 1 23 ? -0.393 -2.255 -4.190 1.00 0.00 ? 23 GLU B HB2 13 ATOM 18122 H HB3 . GLU B 1 23 ? -1.741 -2.489 -3.087 1.00 0.00 ? 23 GLU B HB3 13 ATOM 18123 H HG2 . GLU B 1 23 ? -2.815 -3.986 -4.608 1.00 0.00 ? 23 GLU B HG2 13 ATOM 18124 H HG3 . GLU B 1 23 ? -1.631 -3.633 -5.866 1.00 0.00 ? 23 GLU B HG3 13 ATOM 18125 N N . ILE B 1 24 ? -2.743 0.178 -2.847 1.00 0.00 ? 24 ILE B N 13 ATOM 18126 C CA . ILE B 1 24 ? -3.636 0.775 -1.861 1.00 0.00 ? 24 ILE B CA 13 ATOM 18127 C C . ILE B 1 24 ? -4.685 1.643 -2.559 1.00 0.00 ? 24 ILE B C 13 ATOM 18128 O O . ILE B 1 24 ? -5.858 1.645 -2.185 1.00 0.00 ? 24 ILE B O 13 ATOM 18129 C CB . ILE B 1 24 ? -2.863 1.595 -0.773 1.00 0.00 ? 24 ILE B CB 13 ATOM 18130 C CG1 . ILE B 1 24 ? -2.748 3.085 -1.129 1.00 0.00 ? 24 ILE B CG1 13 ATOM 18131 C CG2 . ILE B 1 24 ? -1.477 1.011 -0.537 1.00 0.00 ? 24 ILE B CG2 13 ATOM 18132 C CD1 . ILE B 1 24 ? -3.961 3.890 -0.718 1.00 0.00 ? 24 ILE B CD1 13 ATOM 18133 H H . ILE B 1 24 ? -1.789 0.398 -2.835 1.00 0.00 ? 24 ILE B H 13 ATOM 18134 H HA . ILE B 1 24 ? -4.150 -0.036 -1.360 1.00 0.00 ? 24 ILE B HA 13 ATOM 18135 H HB . ILE B 1 24 ? -3.413 1.503 0.153 1.00 0.00 ? 24 ILE B HB 13 ATOM 18136 H HG12 . ILE B 1 24 ? -1.887 3.503 -0.629 1.00 0.00 ? 24 ILE B HG12 13 ATOM 18137 H HG13 . ILE B 1 24 ? -2.625 3.187 -2.196 1.00 0.00 ? 24 ILE B HG13 13 ATOM 18138 H HG21 . ILE B 1 24 ? -1.502 -0.055 -0.704 1.00 0.00 ? 24 ILE B HG21 13 ATOM 18139 H HG22 . ILE B 1 24 ? -0.776 1.464 -1.222 1.00 0.00 ? 24 ILE B HG22 13 ATOM 18140 H HG23 . ILE B 1 24 ? -1.170 1.212 0.477 1.00 0.00 ? 24 ILE B HG23 13 ATOM 18141 H HD11 . ILE B 1 24 ? -4.687 3.234 -0.255 1.00 0.00 ? 24 ILE B HD11 13 ATOM 18142 H HD12 . ILE B 1 24 ? -3.665 4.653 -0.013 1.00 0.00 ? 24 ILE B HD12 13 ATOM 18143 H HD13 . ILE B 1 24 ? -4.398 4.353 -1.590 1.00 0.00 ? 24 ILE B HD13 13 ATOM 18144 N N . GLU B 1 25 ? -4.246 2.372 -3.583 1.00 0.00 ? 25 GLU B N 13 ATOM 18145 C CA . GLU B 1 25 ? -5.137 3.236 -4.346 1.00 0.00 ? 25 GLU B CA 13 ATOM 18146 C C . GLU B 1 25 ? -6.235 2.414 -5.009 1.00 0.00 ? 25 GLU B C 13 ATOM 18147 O O . GLU B 1 25 ? -7.400 2.810 -5.022 1.00 0.00 ? 25 GLU B O 13 ATOM 18148 C CB . GLU B 1 25 ? -4.351 4.010 -5.406 1.00 0.00 ? 25 GLU B CB 13 ATOM 18149 C CG . GLU B 1 25 ? -4.964 5.357 -5.756 1.00 0.00 ? 25 GLU B CG 13 ATOM 18150 C CD . GLU B 1 25 ? -4.027 6.232 -6.563 1.00 0.00 ? 25 GLU B CD 13 ATOM 18151 O OE1 . GLU B 1 25 ? -3.969 6.058 -7.799 1.00 0.00 ? 25 GLU B OE1 13 ATOM 18152 O OE2 . GLU B 1 25 ? -3.350 7.092 -5.961 1.00 0.00 ? 25 GLU B OE2 13 ATOM 18153 H H . GLU B 1 25 ? -3.299 2.320 -3.835 1.00 0.00 ? 25 GLU B H 13 ATOM 18154 H HA . GLU B 1 25 ? -5.590 3.936 -3.660 1.00 0.00 ? 25 GLU B HA 13 ATOM 18155 H HB2 . GLU B 1 25 ? -3.348 4.179 -5.042 1.00 0.00 ? 25 GLU B HB2 13 ATOM 18156 H HB3 . GLU B 1 25 ? -4.302 3.416 -6.307 1.00 0.00 ? 25 GLU B HB3 13 ATOM 18157 H HG2 . GLU B 1 25 ? -5.862 5.189 -6.332 1.00 0.00 ? 25 GLU B HG2 13 ATOM 18158 H HG3 . GLU B 1 25 ? -5.215 5.871 -4.840 1.00 0.00 ? 25 GLU B HG3 13 ATOM 18159 N N . ARG B 1 26 ? -5.856 1.260 -5.549 1.00 0.00 ? 26 ARG B N 13 ATOM 18160 C CA . ARG B 1 26 ? -6.812 0.376 -6.200 1.00 0.00 ? 26 ARG B CA 13 ATOM 18161 C C . ARG B 1 26 ? -7.941 0.030 -5.238 1.00 0.00 ? 26 ARG B C 13 ATOM 18162 O O . ARG B 1 26 ? -9.120 0.054 -5.603 1.00 0.00 ? 26 ARG B O 13 ATOM 18163 C CB . ARG B 1 26 ? -6.120 -0.902 -6.680 1.00 0.00 ? 26 ARG B CB 13 ATOM 18164 C CG . ARG B 1 26 ? -6.750 -1.505 -7.924 1.00 0.00 ? 26 ARG B CG 13 ATOM 18165 C CD . ARG B 1 26 ? -6.263 -2.925 -8.163 1.00 0.00 ? 26 ARG B CD 13 ATOM 18166 N NE . ARG B 1 26 ? -7.367 -3.848 -8.408 1.00 0.00 ? 26 ARG B NE 13 ATOM 18167 C CZ . ARG B 1 26 ? -7.201 -5.131 -8.711 1.00 0.00 ? 26 ARG B CZ 13 ATOM 18168 N NH1 . ARG B 1 26 ? -5.980 -5.639 -8.806 1.00 0.00 ? 26 ARG B NH1 13 ATOM 18169 N NH2 . ARG B 1 26 ? -8.256 -5.908 -8.920 1.00 0.00 ? 26 ARG B NH2 13 ATOM 18170 H H . ARG B 1 26 ? -4.914 0.993 -5.500 1.00 0.00 ? 26 ARG B H 13 ATOM 18171 H HA . ARG B 1 26 ? -7.224 0.897 -7.051 1.00 0.00 ? 26 ARG B HA 13 ATOM 18172 H HB2 . ARG B 1 26 ? -5.087 -0.677 -6.897 1.00 0.00 ? 26 ARG B HB2 13 ATOM 18173 H HB3 . ARG B 1 26 ? -6.161 -1.638 -5.889 1.00 0.00 ? 26 ARG B HB3 13 ATOM 18174 H HG2 . ARG B 1 26 ? -7.823 -1.518 -7.803 1.00 0.00 ? 26 ARG B HG2 13 ATOM 18175 H HG3 . ARG B 1 26 ? -6.490 -0.896 -8.778 1.00 0.00 ? 26 ARG B HG3 13 ATOM 18176 H HD2 . ARG B 1 26 ? -5.608 -2.928 -9.021 1.00 0.00 ? 26 ARG B HD2 13 ATOM 18177 H HD3 . ARG B 1 26 ? -5.717 -3.255 -7.292 1.00 0.00 ? 26 ARG B HD3 13 ATOM 18178 H HE . ARG B 1 26 ? -8.279 -3.494 -8.342 1.00 0.00 ? 26 ARG B HE 13 ATOM 18179 H HH11 . ARG B 1 26 ? -5.182 -5.056 -8.650 1.00 0.00 ? 26 ARG B HH11 13 ATOM 18180 H HH12 . ARG B 1 26 ? -5.856 -6.604 -9.035 1.00 0.00 ? 26 ARG B HH12 13 ATOM 18181 H HH21 . ARG B 1 26 ? -9.177 -5.528 -8.849 1.00 0.00 ? 26 ARG B HH21 13 ATOM 18182 H HH22 . ARG B 1 26 ? -8.129 -6.873 -9.149 1.00 0.00 ? 26 ARG B HH22 13 ATOM 18183 N N . HIS B 1 27 ? -7.575 -0.272 -3.996 1.00 0.00 ? 27 HIS B N 13 ATOM 18184 C CA . HIS B 1 27 ? -8.559 -0.599 -2.981 1.00 0.00 ? 27 HIS B CA 13 ATOM 18185 C C . HIS B 1 27 ? -9.409 0.624 -2.678 1.00 0.00 ? 27 HIS B C 13 ATOM 18186 O O . HIS B 1 27 ? -10.578 0.509 -2.317 1.00 0.00 ? 27 HIS B O 13 ATOM 18187 C CB . HIS B 1 27 ? -7.868 -1.092 -1.708 1.00 0.00 ? 27 HIS B CB 13 ATOM 18188 C CG . HIS B 1 27 ? -8.334 -2.442 -1.259 1.00 0.00 ? 27 HIS B CG 13 ATOM 18189 N ND1 . HIS B 1 27 ? -9.414 -2.625 -0.419 1.00 0.00 ? 27 HIS B ND1 13 ATOM 18190 C CD2 . HIS B 1 27 ? -7.864 -3.680 -1.540 1.00 0.00 ? 27 HIS B CD2 13 ATOM 18191 C CE1 . HIS B 1 27 ? -9.585 -3.917 -0.202 1.00 0.00 ? 27 HIS B CE1 13 ATOM 18192 N NE2 . HIS B 1 27 ? -8.659 -4.578 -0.870 1.00 0.00 ? 27 HIS B NE2 13 ATOM 18193 H H . HIS B 1 27 ? -6.623 -0.257 -3.754 1.00 0.00 ? 27 HIS B H 13 ATOM 18194 H HA . HIS B 1 27 ? -9.192 -1.382 -3.368 1.00 0.00 ? 27 HIS B HA 13 ATOM 18195 H HB2 . HIS B 1 27 ? -6.804 -1.152 -1.884 1.00 0.00 ? 27 HIS B HB2 13 ATOM 18196 H HB3 . HIS B 1 27 ? -8.057 -0.390 -0.910 1.00 0.00 ? 27 HIS B HB3 13 ATOM 18197 H HD1 . HIS B 1 27 ? -9.970 -1.914 -0.038 1.00 0.00 ? 27 HIS B HD1 13 ATOM 18198 H HD2 . HIS B 1 27 ? -7.020 -3.916 -2.172 1.00 0.00 ? 27 HIS B HD2 13 ATOM 18199 H HE1 . HIS B 1 27 ? -10.353 -4.358 0.416 1.00 0.00 ? 27 HIS B HE1 13 ATOM 18200 H HE2 . HIS B 1 27 ? -8.557 -5.551 -0.885 1.00 0.00 ? 27 HIS B HE2 13 ATOM 18201 N N . LYS B 1 28 ? -8.806 1.800 -2.838 1.00 0.00 ? 28 LYS B N 13 ATOM 18202 C CA . LYS B 1 28 ? -9.497 3.059 -2.593 1.00 0.00 ? 28 LYS B CA 13 ATOM 18203 C C . LYS B 1 28 ? -10.581 3.291 -3.639 1.00 0.00 ? 28 LYS B C 13 ATOM 18204 O O . LYS B 1 28 ? -11.559 3.997 -3.390 1.00 0.00 ? 28 LYS B O 13 ATOM 18205 C CB . LYS B 1 28 ? -8.503 4.222 -2.605 1.00 0.00 ? 28 LYS B CB 13 ATOM 18206 C CG . LYS B 1 28 ? -9.087 5.528 -2.091 1.00 0.00 ? 28 LYS B CG 13 ATOM 18207 C CD . LYS B 1 28 ? -9.302 6.524 -3.218 1.00 0.00 ? 28 LYS B CD 13 ATOM 18208 C CE . LYS B 1 28 ? -7.980 7.028 -3.776 1.00 0.00 ? 28 LYS B CE 13 ATOM 18209 N NZ . LYS B 1 28 ? -8.134 7.597 -5.143 1.00 0.00 ? 28 LYS B NZ 13 ATOM 18210 H H . LYS B 1 28 ? -7.872 1.821 -3.133 1.00 0.00 ? 28 LYS B H 13 ATOM 18211 H HA . LYS B 1 28 ? -9.957 3.000 -1.620 1.00 0.00 ? 28 LYS B HA 13 ATOM 18212 H HB2 . LYS B 1 28 ? -7.656 3.963 -1.987 1.00 0.00 ? 28 LYS B HB2 13 ATOM 18213 H HB3 . LYS B 1 28 ? -8.163 4.379 -3.619 1.00 0.00 ? 28 LYS B HB3 13 ATOM 18214 H HG2 . LYS B 1 28 ? -10.036 5.324 -1.618 1.00 0.00 ? 28 LYS B HG2 13 ATOM 18215 H HG3 . LYS B 1 28 ? -8.407 5.955 -1.369 1.00 0.00 ? 28 LYS B HG3 13 ATOM 18216 H HD2 . LYS B 1 28 ? -9.854 6.043 -4.012 1.00 0.00 ? 28 LYS B HD2 13 ATOM 18217 H HD3 . LYS B 1 28 ? -9.867 7.363 -2.841 1.00 0.00 ? 28 LYS B HD3 13 ATOM 18218 H HE2 . LYS B 1 28 ? -7.595 7.794 -3.118 1.00 0.00 ? 28 LYS B HE2 13 ATOM 18219 H HE3 . LYS B 1 28 ? -7.283 6.204 -3.814 1.00 0.00 ? 28 LYS B HE3 13 ATOM 18220 H HZ1 . LYS B 1 28 ? -9.106 7.938 -5.280 1.00 0.00 ? 28 LYS B HZ1 13 ATOM 18221 H HZ2 . LYS B 1 28 ? -7.477 8.392 -5.275 1.00 0.00 ? 28 LYS B HZ2 13 ATOM 18222 H HZ3 . LYS B 1 28 ? -7.930 6.870 -5.858 1.00 0.00 ? 28 LYS B HZ3 13 ATOM 18223 N N . GLN B 1 29 ? -10.402 2.692 -4.812 1.00 0.00 ? 29 GLN B N 13 ATOM 18224 C CA . GLN B 1 29 ? -11.365 2.829 -5.896 1.00 0.00 ? 29 GLN B CA 13 ATOM 18225 C C . GLN B 1 29 ? -12.565 1.916 -5.670 1.00 0.00 ? 29 GLN B C 13 ATOM 18226 O O . GLN B 1 29 ? -13.703 2.290 -5.954 1.00 0.00 ? 29 GLN B O 13 ATOM 18227 C CB . GLN B 1 29 ? -10.707 2.505 -7.237 1.00 0.00 ? 29 GLN B CB 13 ATOM 18228 C CG . GLN B 1 29 ? -11.580 2.830 -8.438 1.00 0.00 ? 29 GLN B CG 13 ATOM 18229 C CD . GLN B 1 29 ? -10.846 2.662 -9.754 1.00 0.00 ? 29 GLN B CD 13 ATOM 18230 O OE1 . GLN B 1 29 ? -10.858 1.586 -10.352 1.00 0.00 ? 29 GLN B OE1 13 ATOM 18231 N NE2 . GLN B 1 29 ? -10.202 3.729 -10.214 1.00 0.00 ? 29 GLN B NE2 13 ATOM 18232 H H . GLN B 1 29 ? -9.603 2.142 -4.951 1.00 0.00 ? 29 GLN B H 13 ATOM 18233 H HA . GLN B 1 29 ? -11.705 3.854 -5.910 1.00 0.00 ? 29 GLN B HA 13 ATOM 18234 H HB2 . GLN B 1 29 ? -9.790 3.070 -7.322 1.00 0.00 ? 29 GLN B HB2 13 ATOM 18235 H HB3 . GLN B 1 29 ? -10.473 1.451 -7.265 1.00 0.00 ? 29 GLN B HB3 13 ATOM 18236 H HG2 . GLN B 1 29 ? -12.436 2.172 -8.435 1.00 0.00 ? 29 GLN B HG2 13 ATOM 18237 H HG3 . GLN B 1 29 ? -11.914 3.854 -8.357 1.00 0.00 ? 29 GLN B HG3 13 ATOM 18238 H HE21 . GLN B 1 29 ? -10.235 4.553 -9.684 1.00 0.00 ? 29 GLN B HE21 13 ATOM 18239 H HE22 . GLN B 1 29 ? -9.719 3.649 -11.062 1.00 0.00 ? 29 GLN B HE22 13 ATOM 18240 N N . SER B 1 30 ? -12.302 0.717 -5.160 1.00 0.00 ? 30 SER B N 13 ATOM 18241 C CA . SER B 1 30 ? -13.364 -0.251 -4.899 1.00 0.00 ? 30 SER B CA 13 ATOM 18242 C C . SER B 1 30 ? -14.208 0.164 -3.693 1.00 0.00 ? 30 SER B C 13 ATOM 18243 O O . SER B 1 30 ? -15.405 -0.119 -3.637 1.00 0.00 ? 30 SER B O 13 ATOM 18244 C CB . SER B 1 30 ? -12.770 -1.641 -4.666 1.00 0.00 ? 30 SER B CB 13 ATOM 18245 O OG . SER B 1 30 ? -11.529 -1.558 -3.986 1.00 0.00 ? 30 SER B OG 13 ATOM 18246 H H . SER B 1 30 ? -11.370 0.476 -4.958 1.00 0.00 ? 30 SER B H 13 ATOM 18247 H HA . SER B 1 30 ? -14.000 -0.283 -5.770 1.00 0.00 ? 30 SER B HA 13 ATOM 18248 H HB2 . SER B 1 30 ? -13.453 -2.228 -4.070 1.00 0.00 ? 30 SER B HB2 13 ATOM 18249 H HB3 . SER B 1 30 ? -12.613 -2.127 -5.618 1.00 0.00 ? 30 SER B HB3 13 ATOM 18250 H HG . SER B 1 30 ? -10.853 -2.010 -4.497 1.00 0.00 ? 30 SER B HG 13 ATOM 18251 N N . ILE B 1 31 ? -13.577 0.832 -2.734 1.00 0.00 ? 31 ILE B N 13 ATOM 18252 C CA . ILE B 1 31 ? -14.270 1.285 -1.530 1.00 0.00 ? 31 ILE B CA 13 ATOM 18253 C C . ILE B 1 31 ? -15.012 2.591 -1.795 1.00 0.00 ? 31 ILE B C 13 ATOM 18254 O O . ILE B 1 31 ? -16.035 2.873 -1.172 1.00 0.00 ? 31 ILE B O 13 ATOM 18255 C CB . ILE B 1 31 ? -13.279 1.475 -0.363 1.00 0.00 ? 31 ILE B CB 13 ATOM 18256 C CG1 . ILE B 1 31 ? -13.963 2.074 0.869 1.00 0.00 ? 31 ILE B CG1 13 ATOM 18257 C CG2 . ILE B 1 31 ? -12.127 2.361 -0.796 1.00 0.00 ? 31 ILE B CG2 13 ATOM 18258 C CD1 . ILE B 1 31 ? -14.835 1.094 1.613 1.00 0.00 ? 31 ILE B CD1 13 ATOM 18259 H H . ILE B 1 31 ? -12.623 1.028 -2.837 1.00 0.00 ? 31 ILE B H 13 ATOM 18260 H HA . ILE B 1 31 ? -14.985 0.525 -1.251 1.00 0.00 ? 31 ILE B HA 13 ATOM 18261 H HB . ILE B 1 31 ? -12.878 0.504 -0.105 1.00 0.00 ? 31 ILE B HB 13 ATOM 18262 H HG12 . ILE B 1 31 ? -13.203 2.421 1.556 1.00 0.00 ? 31 ILE B HG12 13 ATOM 18263 H HG13 . ILE B 1 31 ? -14.577 2.909 0.567 1.00 0.00 ? 31 ILE B HG13 13 ATOM 18264 H HG21 . ILE B 1 31 ? -12.262 2.647 -1.827 1.00 0.00 ? 31 ILE B HG21 13 ATOM 18265 H HG22 . ILE B 1 31 ? -12.101 3.246 -0.177 1.00 0.00 ? 31 ILE B HG22 13 ATOM 18266 H HG23 . ILE B 1 31 ? -11.201 1.822 -0.691 1.00 0.00 ? 31 ILE B HG23 13 ATOM 18267 H HD11 . ILE B 1 31 ? -15.274 0.400 0.913 1.00 0.00 ? 31 ILE B HD11 13 ATOM 18268 H HD12 . ILE B 1 31 ? -14.234 0.554 2.327 1.00 0.00 ? 31 ILE B HD12 13 ATOM 18269 H HD13 . ILE B 1 31 ? -15.617 1.628 2.130 1.00 0.00 ? 31 ILE B HD13 13 ATOM 18270 N N . LYS B 1 32 ? -14.491 3.382 -2.727 1.00 0.00 ? 32 LYS B N 13 ATOM 18271 C CA . LYS B 1 32 ? -15.106 4.656 -3.078 1.00 0.00 ? 32 LYS B CA 13 ATOM 18272 C C . LYS B 1 32 ? -16.269 4.443 -4.041 1.00 0.00 ? 32 LYS B C 13 ATOM 18273 O O . LYS B 1 32 ? -17.202 5.246 -4.089 1.00 0.00 ? 32 LYS B O 13 ATOM 18274 C CB . LYS B 1 32 ? -14.072 5.593 -3.705 1.00 0.00 ? 32 LYS B CB 13 ATOM 18275 C CG . LYS B 1 32 ? -13.196 6.302 -2.685 1.00 0.00 ? 32 LYS B CG 13 ATOM 18276 C CD . LYS B 1 32 ? -13.340 7.812 -2.783 1.00 0.00 ? 32 LYS B CD 13 ATOM 18277 C CE . LYS B 1 32 ? -13.464 8.450 -1.409 1.00 0.00 ? 32 LYS B CE 13 ATOM 18278 N NZ . LYS B 1 32 ? -13.929 9.862 -1.492 1.00 0.00 ? 32 LYS B NZ 13 ATOM 18279 H H . LYS B 1 32 ? -13.675 3.101 -3.192 1.00 0.00 ? 32 LYS B H 13 ATOM 18280 H HA . LYS B 1 32 ? -15.482 5.103 -2.171 1.00 0.00 ? 32 LYS B HA 13 ATOM 18281 H HB2 . LYS B 1 32 ? -13.432 5.018 -4.359 1.00 0.00 ? 32 LYS B HB2 13 ATOM 18282 H HB3 . LYS B 1 32 ? -14.588 6.342 -4.287 1.00 0.00 ? 32 LYS B HB3 13 ATOM 18283 H HG2 . LYS B 1 32 ? -13.487 5.987 -1.694 1.00 0.00 ? 32 LYS B HG2 13 ATOM 18284 H HG3 . LYS B 1 32 ? -12.165 6.035 -2.862 1.00 0.00 ? 32 LYS B HG3 13 ATOM 18285 H HD2 . LYS B 1 32 ? -12.469 8.216 -3.279 1.00 0.00 ? 32 LYS B HD2 13 ATOM 18286 H HD3 . LYS B 1 32 ? -14.224 8.043 -3.359 1.00 0.00 ? 32 LYS B HD3 13 ATOM 18287 H HE2 . LYS B 1 32 ? -14.172 7.882 -0.824 1.00 0.00 ? 32 LYS B HE2 13 ATOM 18288 H HE3 . LYS B 1 32 ? -12.498 8.426 -0.927 1.00 0.00 ? 32 LYS B HE3 13 ATOM 18289 H HZ1 . LYS B 1 32 ? -14.130 10.115 -2.481 1.00 0.00 ? 32 LYS B HZ1 13 ATOM 18290 H HZ2 . LYS B 1 32 ? -14.796 9.987 -0.931 1.00 0.00 ? 32 LYS B HZ2 13 ATOM 18291 H HZ3 . LYS B 1 32 ? -13.197 10.502 -1.124 1.00 0.00 ? 32 LYS B HZ3 13 ATOM 18292 N N . LYS B 1 33 ? -16.209 3.355 -4.801 1.00 0.00 ? 33 LYS B N 13 ATOM 18293 C CA . LYS B 1 33 ? -17.260 3.035 -5.758 1.00 0.00 ? 33 LYS B CA 13 ATOM 18294 C C . LYS B 1 33 ? -18.424 2.336 -5.064 1.00 0.00 ? 33 LYS B C 13 ATOM 18295 O O . LYS B 1 33 ? -19.587 2.563 -5.398 1.00 0.00 ? 33 LYS B O 13 ATOM 18296 C CB . LYS B 1 33 ? -16.710 2.147 -6.877 1.00 0.00 ? 33 LYS B CB 13 ATOM 18297 C CG . LYS B 1 33 ? -17.367 2.391 -8.226 1.00 0.00 ? 33 LYS B CG 13 ATOM 18298 C CD . LYS B 1 33 ? -16.400 2.139 -9.370 1.00 0.00 ? 33 LYS B CD 13 ATOM 18299 C CE . LYS B 1 33 ? -16.429 0.685 -9.814 1.00 0.00 ? 33 LYS B CE 13 ATOM 18300 N NZ . LYS B 1 33 ? -15.415 0.406 -10.869 1.00 0.00 ? 33 LYS B NZ 13 ATOM 18301 H H . LYS B 1 33 ? -15.442 2.752 -4.714 1.00 0.00 ? 33 LYS B H 13 ATOM 18302 H HA . LYS B 1 33 ? -17.614 3.961 -6.185 1.00 0.00 ? 33 LYS B HA 13 ATOM 18303 H HB2 . LYS B 1 33 ? -15.651 2.331 -6.979 1.00 0.00 ? 33 LYS B HB2 13 ATOM 18304 H HB3 . LYS B 1 33 ? -16.863 1.113 -6.607 1.00 0.00 ? 33 LYS B HB3 13 ATOM 18305 H HG2 . LYS B 1 33 ? -18.212 1.727 -8.329 1.00 0.00 ? 33 LYS B HG2 13 ATOM 18306 H HG3 . LYS B 1 33 ? -17.705 3.415 -8.271 1.00 0.00 ? 33 LYS B HG3 13 ATOM 18307 H HD2 . LYS B 1 33 ? -16.673 2.766 -10.205 1.00 0.00 ? 33 LYS B HD2 13 ATOM 18308 H HD3 . LYS B 1 33 ? -15.399 2.386 -9.044 1.00 0.00 ? 33 LYS B HD3 13 ATOM 18309 H HE2 . LYS B 1 33 ? -16.229 0.057 -8.960 1.00 0.00 ? 33 LYS B HE2 13 ATOM 18310 H HE3 . LYS B 1 33 ? -17.412 0.461 -10.203 1.00 0.00 ? 33 LYS B HE3 13 ATOM 18311 H HZ1 . LYS B 1 33 ? -15.511 1.090 -11.646 1.00 0.00 ? 33 LYS B HZ1 13 ATOM 18312 H HZ2 . LYS B 1 33 ? -14.457 0.480 -10.473 1.00 0.00 ? 33 LYS B HZ2 13 ATOM 18313 H HZ3 . LYS B 1 33 ? -15.548 -0.554 -11.247 1.00 0.00 ? 33 LYS B HZ3 13 ATOM 18314 N N . LEU B 1 34 ? -18.100 1.490 -4.092 1.00 0.00 ? 34 LEU B N 13 ATOM 18315 C CA . LEU B 1 34 ? -19.117 0.761 -3.345 1.00 0.00 ? 34 LEU B CA 13 ATOM 18316 C C . LEU B 1 34 ? -19.769 1.663 -2.304 1.00 0.00 ? 34 LEU B C 13 ATOM 18317 O O . LEU B 1 34 ? -20.925 1.465 -1.932 1.00 0.00 ? 34 LEU B O 13 ATOM 18318 C CB . LEU B 1 34 ? -18.500 -0.463 -2.665 1.00 0.00 ? 34 LEU B CB 13 ATOM 18319 C CG . LEU B 1 34 ? -19.238 -1.781 -2.913 1.00 0.00 ? 34 LEU B CG 13 ATOM 18320 C CD1 . LEU B 1 34 ? -18.358 -2.963 -2.535 1.00 0.00 ? 34 LEU B CD1 13 ATOM 18321 C CD2 . LEU B 1 34 ? -20.543 -1.816 -2.132 1.00 0.00 ? 34 LEU B CD2 13 ATOM 18322 H H . LEU B 1 34 ? -17.156 1.355 -3.871 1.00 0.00 ? 34 LEU B H 13 ATOM 18323 H HA . LEU B 1 34 ? -19.872 0.433 -4.044 1.00 0.00 ? 34 LEU B HA 13 ATOM 18324 H HB2 . LEU B 1 34 ? -17.485 -0.571 -3.017 1.00 0.00 ? 34 LEU B HB2 13 ATOM 18325 H HB3 . LEU B 1 34 ? -18.478 -0.285 -1.601 1.00 0.00 ? 34 LEU B HB3 13 ATOM 18326 H HG . LEU B 1 34 ? -19.473 -1.862 -3.964 1.00 0.00 ? 34 LEU B HG 13 ATOM 18327 H HD11 . LEU B 1 34 ? -17.371 -2.824 -2.950 1.00 0.00 ? 34 LEU B HD11 13 ATOM 18328 H HD12 . LEU B 1 34 ? -18.290 -3.033 -1.460 1.00 0.00 ? 34 LEU B HD12 13 ATOM 18329 H HD13 . LEU B 1 34 ? -18.789 -3.872 -2.929 1.00 0.00 ? 34 LEU B HD13 13 ATOM 18330 H HD21 . LEU B 1 34 ? -20.908 -0.808 -1.996 1.00 0.00 ? 34 LEU B HD21 13 ATOM 18331 H HD22 . LEU B 1 34 ? -21.275 -2.392 -2.679 1.00 0.00 ? 34 LEU B HD22 13 ATOM 18332 H HD23 . LEU B 1 34 ? -20.374 -2.271 -1.168 1.00 0.00 ? 34 LEU B HD23 13 ATOM 18333 N N . LYS B 1 35 ? -19.019 2.658 -1.839 1.00 0.00 ? 35 LYS B N 13 ATOM 18334 C CA . LYS B 1 35 ? -19.526 3.595 -0.843 1.00 0.00 ? 35 LYS B CA 13 ATOM 18335 C C . LYS B 1 35 ? -20.364 4.683 -1.504 1.00 0.00 ? 35 LYS B C 13 ATOM 18336 O O . LYS B 1 35 ? -21.333 5.172 -0.925 1.00 0.00 ? 35 LYS B O 13 ATOM 18337 C CB . LYS B 1 35 ? -18.368 4.225 -0.068 1.00 0.00 ? 35 LYS B CB 13 ATOM 18338 C CG . LYS B 1 35 ? -18.808 5.281 0.932 1.00 0.00 ? 35 LYS B CG 13 ATOM 18339 C CD . LYS B 1 35 ? -18.636 6.684 0.373 1.00 0.00 ? 35 LYS B CD 13 ATOM 18340 C CE . LYS B 1 35 ? -17.178 6.985 0.064 1.00 0.00 ? 35 LYS B CE 13 ATOM 18341 N NZ . LYS B 1 35 ? -16.748 8.290 0.637 1.00 0.00 ? 35 LYS B NZ 13 ATOM 18342 H H . LYS B 1 35 ? -18.105 2.766 -2.176 1.00 0.00 ? 35 LYS B H 13 ATOM 18343 H HA . LYS B 1 35 ? -20.150 3.042 -0.156 1.00 0.00 ? 35 LYS B HA 13 ATOM 18344 H HB2 . LYS B 1 35 ? -17.843 3.448 0.469 1.00 0.00 ? 35 LYS B HB2 13 ATOM 18345 H HB3 . LYS B 1 35 ? -17.688 4.685 -0.769 1.00 0.00 ? 35 LYS B HB3 13 ATOM 18346 H HG2 . LYS B 1 35 ? -19.849 5.125 1.171 1.00 0.00 ? 35 LYS B HG2 13 ATOM 18347 H HG3 . LYS B 1 35 ? -18.214 5.185 1.828 1.00 0.00 ? 35 LYS B HG3 13 ATOM 18348 H HD2 . LYS B 1 35 ? -19.211 6.772 -0.537 1.00 0.00 ? 35 LYS B HD2 13 ATOM 18349 H HD3 . LYS B 1 35 ? -18.996 7.397 1.100 1.00 0.00 ? 35 LYS B HD3 13 ATOM 18350 H HE2 . LYS B 1 35 ? -16.565 6.200 0.481 1.00 0.00 ? 35 LYS B HE2 13 ATOM 18351 H HE3 . LYS B 1 35 ? -17.048 7.012 -1.009 1.00 0.00 ? 35 LYS B HE3 13 ATOM 18352 H HZ1 . LYS B 1 35 ? -17.273 8.488 1.511 1.00 0.00 ? 35 LYS B HZ1 13 ATOM 18353 H HZ2 . LYS B 1 35 ? -15.731 8.267 0.854 1.00 0.00 ? 35 LYS B HZ2 13 ATOM 18354 H HZ3 . LYS B 1 35 ? -16.928 9.057 -0.044 1.00 0.00 ? 35 LYS B HZ3 13 ATOM 18355 N N . GLN B 1 36 ? -19.985 5.054 -2.723 1.00 0.00 ? 36 GLN B N 13 ATOM 18356 C CA . GLN B 1 36 ? -20.703 6.083 -3.466 1.00 0.00 ? 36 GLN B CA 13 ATOM 18357 C C . GLN B 1 36 ? -21.981 5.515 -4.073 1.00 0.00 ? 36 GLN B C 13 ATOM 18358 O O . GLN B 1 36 ? -22.954 6.238 -4.286 1.00 0.00 ? 36 GLN B O 13 ATOM 18359 C CB . GLN B 1 36 ? -19.813 6.663 -4.567 1.00 0.00 ? 36 GLN B CB 13 ATOM 18360 C CG . GLN B 1 36 ? -20.419 7.869 -5.265 1.00 0.00 ? 36 GLN B CG 13 ATOM 18361 C CD . GLN B 1 36 ? -21.395 7.479 -6.359 1.00 0.00 ? 36 GLN B CD 13 ATOM 18362 O OE1 . GLN B 1 36 ? -21.029 6.808 -7.324 1.00 0.00 ? 36 GLN B OE1 13 ATOM 18363 N NE2 . GLN B 1 36 ? -22.646 7.900 -6.213 1.00 0.00 ? 36 GLN B NE2 13 ATOM 18364 H H . GLN B 1 36 ? -19.204 4.625 -3.133 1.00 0.00 ? 36 GLN B H 13 ATOM 18365 H HA . GLN B 1 36 ? -20.966 6.869 -2.774 1.00 0.00 ? 36 GLN B HA 13 ATOM 18366 H HB2 . GLN B 1 36 ? -18.872 6.961 -4.132 1.00 0.00 ? 36 GLN B HB2 13 ATOM 18367 H HB3 . GLN B 1 36 ? -19.633 5.898 -5.307 1.00 0.00 ? 36 GLN B HB3 13 ATOM 18368 H HG2 . GLN B 1 36 ? -20.942 8.467 -4.535 1.00 0.00 ? 36 GLN B HG2 13 ATOM 18369 H HG3 . GLN B 1 36 ? -19.623 8.452 -5.705 1.00 0.00 ? 36 GLN B HG3 13 ATOM 18370 H HE21 . GLN B 1 36 ? -22.866 8.431 -5.419 1.00 0.00 ? 36 GLN B HE21 13 ATOM 18371 H HE22 . GLN B 1 36 ? -23.298 7.663 -6.905 1.00 0.00 ? 36 GLN B HE22 13 ATOM 18372 N N . SER B 1 37 ? -21.971 4.214 -4.350 1.00 0.00 ? 37 SER B N 13 ATOM 18373 C CA . SER B 1 37 ? -23.130 3.548 -4.930 1.00 0.00 ? 37 SER B CA 13 ATOM 18374 C C . SER B 1 37 ? -24.197 3.295 -3.871 1.00 0.00 ? 37 SER B C 13 ATOM 18375 O O . SER B 1 37 ? -25.384 3.196 -4.182 1.00 0.00 ? 37 SER B O 13 ATOM 18376 C CB . SER B 1 37 ? -22.713 2.226 -5.577 1.00 0.00 ? 37 SER B CB 13 ATOM 18377 O OG . SER B 1 37 ? -23.741 1.719 -6.412 1.00 0.00 ? 37 SER B OG 13 ATOM 18378 H H . SER B 1 37 ? -21.166 3.690 -4.156 1.00 0.00 ? 37 SER B H 13 ATOM 18379 H HA . SER B 1 37 ? -23.540 4.197 -5.689 1.00 0.00 ? 37 SER B HA 13 ATOM 18380 H HB2 . SER B 1 37 ? -21.828 2.383 -6.175 1.00 0.00 ? 37 SER B HB2 13 ATOM 18381 H HB3 . SER B 1 37 ? -22.501 1.500 -4.806 1.00 0.00 ? 37 SER B HB3 13 ATOM 18382 H HG . SER B 1 37 ? -24.120 0.932 -6.011 1.00 0.00 ? 37 SER B HG 13 ATOM 18383 N N . GLU B 1 38 ? -23.766 3.191 -2.618 1.00 0.00 ? 38 GLU B N 13 ATOM 18384 C CA . GLU B 1 38 ? -24.685 2.950 -1.512 1.00 0.00 ? 38 GLU B CA 13 ATOM 18385 C C . GLU B 1 38 ? -25.483 4.208 -1.186 1.00 0.00 ? 38 GLU B C 13 ATOM 18386 O O . GLU B 1 38 ? -26.614 4.129 -0.706 1.00 0.00 ? 38 GLU B O 13 ATOM 18387 C CB . GLU B 1 38 ? -23.914 2.486 -0.273 1.00 0.00 ? 38 GLU B CB 13 ATOM 18388 C CG . GLU B 1 38 ? -24.707 1.543 0.618 1.00 0.00 ? 38 GLU B CG 13 ATOM 18389 C CD . GLU B 1 38 ? -24.143 1.457 2.022 1.00 0.00 ? 38 GLU B CD 13 ATOM 18390 O OE1 . GLU B 1 38 ? -22.947 1.124 2.162 1.00 0.00 ? 38 GLU B OE1 13 ATOM 18391 O OE2 . GLU B 1 38 ? -24.897 1.722 2.982 1.00 0.00 ? 38 GLU B OE2 13 ATOM 18392 H H . GLU B 1 38 ? -22.808 3.279 -2.433 1.00 0.00 ? 38 GLU B H 13 ATOM 18393 H HA . GLU B 1 38 ? -25.369 2.171 -1.812 1.00 0.00 ? 38 GLU B HA 13 ATOM 18394 H HB2 . GLU B 1 38 ? -23.017 1.977 -0.592 1.00 0.00 ? 38 GLU B HB2 13 ATOM 18395 H HB3 . GLU B 1 38 ? -23.639 3.351 0.310 1.00 0.00 ? 38 GLU B HB3 13 ATOM 18396 H HG2 . GLU B 1 38 ? -25.725 1.895 0.677 1.00 0.00 ? 38 GLU B HG2 13 ATOM 18397 H HG3 . GLU B 1 38 ? -24.693 0.556 0.178 1.00 0.00 ? 38 GLU B HG3 13 ATOM 18398 N N . ASP B 1 39 ? -24.888 5.366 -1.450 1.00 0.00 ? 39 ASP B N 13 ATOM 18399 C CA . ASP B 1 39 ? -25.545 6.641 -1.186 1.00 0.00 ? 39 ASP B CA 13 ATOM 18400 C C . ASP B 1 39 ? -26.645 6.909 -2.208 1.00 0.00 ? 39 ASP B C 13 ATOM 18401 O O . ASP B 1 39 ? -27.598 7.635 -1.932 1.00 0.00 ? 39 ASP B O 13 ATOM 18402 C CB . ASP B 1 39 ? -24.523 7.779 -1.207 1.00 0.00 ? 39 ASP B CB 13 ATOM 18403 C CG . ASP B 1 39 ? -25.155 9.128 -0.928 1.00 0.00 ? 39 ASP B CG 13 ATOM 18404 O OD1 . ASP B 1 39 ? -25.828 9.668 -1.832 1.00 0.00 ? 39 ASP B OD1 13 ATOM 18405 O OD2 . ASP B 1 39 ? -24.976 9.646 0.195 1.00 0.00 ? 39 ASP B OD2 13 ATOM 18406 H H . ASP B 1 39 ? -23.986 5.364 -1.833 1.00 0.00 ? 39 ASP B H 13 ATOM 18407 H HA . ASP B 1 39 ? -25.989 6.587 -0.203 1.00 0.00 ? 39 ASP B HA 13 ATOM 18408 H HB2 . ASP B 1 39 ? -23.770 7.593 -0.456 1.00 0.00 ? 39 ASP B HB2 13 ATOM 18409 H HB3 . ASP B 1 39 ? -24.055 7.814 -2.180 1.00 0.00 ? 39 ASP B HB3 13 ATOM 18410 N N . ASP B 1 40 ? -26.504 6.316 -3.389 1.00 0.00 ? 40 ASP B N 13 ATOM 18411 C CA . ASP B 1 40 ? -27.485 6.491 -4.453 1.00 0.00 ? 40 ASP B CA 13 ATOM 18412 C C . ASP B 1 40 ? -27.173 5.580 -5.636 1.00 0.00 ? 40 ASP B C 13 ATOM 18413 O O . ASP B 1 40 ? -26.039 5.134 -5.807 1.00 0.00 ? 40 ASP B O 13 ATOM 18414 C CB . ASP B 1 40 ? -27.516 7.950 -4.913 1.00 0.00 ? 40 ASP B CB 13 ATOM 18415 C CG . ASP B 1 40 ? -28.927 8.490 -5.029 1.00 0.00 ? 40 ASP B CG 13 ATOM 18416 O OD1 . ASP B 1 40 ? -29.694 8.362 -4.052 1.00 0.00 ? 40 ASP B OD1 13 ATOM 18417 O OD2 . ASP B 1 40 ? -29.266 9.042 -6.097 1.00 0.00 ? 40 ASP B OD2 13 ATOM 18418 H H . ASP B 1 40 ? -25.721 5.748 -3.549 1.00 0.00 ? 40 ASP B H 13 ATOM 18419 H HA . ASP B 1 40 ? -28.454 6.228 -4.058 1.00 0.00 ? 40 ASP B HA 13 ATOM 18420 H HB2 . ASP B 1 40 ? -26.976 8.557 -4.202 1.00 0.00 ? 40 ASP B HB2 13 ATOM 18421 H HB3 . ASP B 1 40 ? -27.040 8.026 -5.880 1.00 0.00 ? 40 ASP B HB3 13 ATOM 18422 N N . ASP B 1 41 ? -28.188 5.307 -6.450 1.00 0.00 ? 41 ASP B N 13 ATOM 18423 C CA . ASP B 1 41 ? -28.022 4.448 -7.617 1.00 0.00 ? 41 ASP B CA 13 ATOM 18424 C C . ASP B 1 41 ? -26.839 4.904 -8.465 1.00 0.00 ? 41 ASP B C 13 ATOM 18425 O O . ASP B 1 41 ? -26.324 6.014 -8.212 1.00 0.00 ? 41 ASP B O 13 ATOM 18426 C CB . ASP B 1 41 ? -29.298 4.446 -8.460 1.00 0.00 ? 41 ASP B CB 13 ATOM 18427 C CG . ASP B 1 41 ? -30.123 3.191 -8.258 1.00 0.00 ? 41 ASP B CG 13 ATOM 18428 O OD1 . ASP B 1 41 ? -29.565 2.185 -7.769 1.00 0.00 ? 41 ASP B OD1 13 ATOM 18429 O OD2 . ASP B 1 41 ? -31.327 3.211 -8.588 1.00 0.00 ? 41 ASP B OD2 13 ATOM 18430 O OXT . ASP B 1 41 ? -26.438 4.149 -9.374 1.00 0.00 ? 41 ASP B OXT 13 ATOM 18431 H H . ASP B 1 41 ? -29.070 5.691 -6.261 1.00 0.00 ? 41 ASP B H 13 ATOM 18432 H HA . ASP B 1 41 ? -27.832 3.445 -7.266 1.00 0.00 ? 41 ASP B HA 13 ATOM 18433 H HB2 . ASP B 1 41 ? -29.903 5.298 -8.189 1.00 0.00 ? 41 ASP B HB2 13 ATOM 18434 H HB3 . ASP B 1 41 ? -29.032 4.516 -9.505 1.00 0.00 ? 41 ASP B HB3 13 ATOM 18435 N N . ALA A 1 1 ? -33.240 2.721 9.012 1.00 0.00 ? 1 ALA A N 14 ATOM 18436 C CA . ALA A 1 1 ? -32.199 2.314 8.033 1.00 0.00 ? 1 ALA A CA 14 ATOM 18437 C C . ALA A 1 1 ? -32.641 1.088 7.241 1.00 0.00 ? 1 ALA A C 14 ATOM 18438 O O . ALA A 1 1 ? -33.735 0.563 7.452 1.00 0.00 ? 1 ALA A O 14 ATOM 18439 C CB . ALA A 1 1 ? -30.885 2.034 8.747 1.00 0.00 ? 1 ALA A CB 14 ATOM 18440 H H1 . ALA A 1 1 ? -34.165 2.452 8.622 1.00 0.00 ? 1 ALA A H1 14 ATOM 18441 H H2 . ALA A 1 1 ? -33.048 2.220 9.904 1.00 0.00 ? 1 ALA A H2 14 ATOM 18442 H H3 . ALA A 1 1 ? -33.172 3.750 9.137 1.00 0.00 ? 1 ALA A H3 14 ATOM 18443 H HA . ALA A 1 1 ? -32.039 3.133 7.346 1.00 0.00 ? 1 ALA A HA 14 ATOM 18444 H HB1 . ALA A 1 1 ? -30.083 2.553 8.241 1.00 0.00 ? 1 ALA A HB1 14 ATOM 18445 H HB2 . ALA A 1 1 ? -30.950 2.379 9.768 1.00 0.00 ? 1 ALA A HB2 14 ATOM 18446 H HB3 . ALA A 1 1 ? -30.688 0.972 8.736 1.00 0.00 ? 1 ALA A HB3 14 ATOM 18447 N N . LEU A 1 2 ? -31.785 0.636 6.331 1.00 0.00 ? 2 LEU A N 14 ATOM 18448 C CA . LEU A 1 2 ? -32.088 -0.529 5.508 1.00 0.00 ? 2 LEU A CA 14 ATOM 18449 C C . LEU A 1 2 ? -30.931 -0.844 4.565 1.00 0.00 ? 2 LEU A C 14 ATOM 18450 O O . LEU A 1 2 ? -30.248 0.060 4.080 1.00 0.00 ? 2 LEU A O 14 ATOM 18451 C CB . LEU A 1 2 ? -33.368 -0.293 4.704 1.00 0.00 ? 2 LEU A CB 14 ATOM 18452 C CG . LEU A 1 2 ? -33.312 0.886 3.731 1.00 0.00 ? 2 LEU A CG 14 ATOM 18453 C CD1 . LEU A 1 2 ? -33.905 0.494 2.385 1.00 0.00 ? 2 LEU A CD1 14 ATOM 18454 C CD2 . LEU A 1 2 ? -34.045 2.088 4.308 1.00 0.00 ? 2 LEU A CD2 14 ATOM 18455 H H . LEU A 1 2 ? -30.929 1.097 6.211 1.00 0.00 ? 2 LEU A H 14 ATOM 18456 H HA . LEU A 1 2 ? -32.237 -1.370 6.168 1.00 0.00 ? 2 LEU A HA 14 ATOM 18457 H HB2 . LEU A 1 2 ? -33.585 -1.189 4.141 1.00 0.00 ? 2 LEU A HB2 14 ATOM 18458 H HB3 . LEU A 1 2 ? -34.176 -0.119 5.398 1.00 0.00 ? 2 LEU A HB3 14 ATOM 18459 H HG . LEU A 1 2 ? -32.281 1.166 3.573 1.00 0.00 ? 2 LEU A HG 14 ATOM 18460 H HD11 . LEU A 1 2 ? -34.552 -0.361 2.512 1.00 0.00 ? 2 LEU A HD11 14 ATOM 18461 H HD12 . LEU A 1 2 ? -34.474 1.321 1.989 1.00 0.00 ? 2 LEU A HD12 14 ATOM 18462 H HD13 . LEU A 1 2 ? -33.108 0.244 1.701 1.00 0.00 ? 2 LEU A HD13 14 ATOM 18463 H HD21 . LEU A 1 2 ? -33.740 2.236 5.334 1.00 0.00 ? 2 LEU A HD21 14 ATOM 18464 H HD22 . LEU A 1 2 ? -33.806 2.967 3.729 1.00 0.00 ? 2 LEU A HD22 14 ATOM 18465 H HD23 . LEU A 1 2 ? -35.110 1.912 4.271 1.00 0.00 ? 2 LEU A HD23 14 ATOM 18466 N N . LYS A 1 3 ? -30.718 -2.129 4.307 1.00 0.00 ? 3 LYS A N 14 ATOM 18467 C CA . LYS A 1 3 ? -29.645 -2.563 3.420 1.00 0.00 ? 3 LYS A CA 14 ATOM 18468 C C . LYS A 1 3 ? -28.281 -2.303 4.050 1.00 0.00 ? 3 LYS A C 14 ATOM 18469 O O . LYS A 1 3 ? -27.765 -1.186 4.000 1.00 0.00 ? 3 LYS A O 14 ATOM 18470 C CB . LYS A 1 3 ? -29.744 -1.842 2.074 1.00 0.00 ? 3 LYS A CB 14 ATOM 18471 C CG . LYS A 1 3 ? -29.410 -2.725 0.883 1.00 0.00 ? 3 LYS A CG 14 ATOM 18472 C CD . LYS A 1 3 ? -29.959 -2.147 -0.410 1.00 0.00 ? 3 LYS A CD 14 ATOM 18473 C CE . LYS A 1 3 ? -30.912 -3.115 -1.093 1.00 0.00 ? 3 LYS A CE 14 ATOM 18474 N NZ . LYS A 1 3 ? -31.607 -2.487 -2.250 1.00 0.00 ? 3 LYS A NZ 14 ATOM 18475 H H . LYS A 1 3 ? -31.297 -2.803 4.721 1.00 0.00 ? 3 LYS A H 14 ATOM 18476 H HA . LYS A 1 3 ? -29.757 -3.624 3.258 1.00 0.00 ? 3 LYS A HA 14 ATOM 18477 H HB2 . LYS A 1 3 ? -30.751 -1.472 1.950 1.00 0.00 ? 3 LYS A HB2 14 ATOM 18478 H HB3 . LYS A 1 3 ? -29.061 -1.005 2.076 1.00 0.00 ? 3 LYS A HB3 14 ATOM 18479 H HG2 . LYS A 1 3 ? -28.338 -2.811 0.801 1.00 0.00 ? 3 LYS A HG2 14 ATOM 18480 H HG3 . LYS A 1 3 ? -29.841 -3.703 1.042 1.00 0.00 ? 3 LYS A HG3 14 ATOM 18481 H HD2 . LYS A 1 3 ? -30.490 -1.233 -0.188 1.00 0.00 ? 3 LYS A HD2 14 ATOM 18482 H HD3 . LYS A 1 3 ? -29.136 -1.935 -1.076 1.00 0.00 ? 3 LYS A HD3 14 ATOM 18483 H HE2 . LYS A 1 3 ? -30.349 -3.968 -1.443 1.00 0.00 ? 3 LYS A HE2 14 ATOM 18484 H HE3 . LYS A 1 3 ? -31.649 -3.442 -0.375 1.00 0.00 ? 3 LYS A HE3 14 ATOM 18485 H HZ1 . LYS A 1 3 ? -32.012 -1.571 -1.969 1.00 0.00 ? 3 LYS A HZ1 14 ATOM 18486 H HZ2 . LYS A 1 3 ? -30.937 -2.332 -3.030 1.00 0.00 ? 3 LYS A HZ2 14 ATOM 18487 H HZ3 . LYS A 1 3 ? -32.374 -3.104 -2.585 1.00 0.00 ? 3 LYS A HZ3 14 ATOM 18488 N N . LYS A 1 4 ? -27.700 -3.343 4.641 1.00 0.00 ? 4 LYS A N 14 ATOM 18489 C CA . LYS A 1 4 ? -26.395 -3.227 5.281 1.00 0.00 ? 4 LYS A CA 14 ATOM 18490 C C . LYS A 1 4 ? -25.350 -4.061 4.547 1.00 0.00 ? 4 LYS A C 14 ATOM 18491 O O . LYS A 1 4 ? -24.340 -4.459 5.127 1.00 0.00 ? 4 LYS A O 14 ATOM 18492 C CB . LYS A 1 4 ? -26.480 -3.666 6.744 1.00 0.00 ? 4 LYS A CB 14 ATOM 18493 C CG . LYS A 1 4 ? -27.446 -2.836 7.574 1.00 0.00 ? 4 LYS A CG 14 ATOM 18494 C CD . LYS A 1 4 ? -26.810 -2.378 8.875 1.00 0.00 ? 4 LYS A CD 14 ATOM 18495 C CE . LYS A 1 4 ? -27.622 -1.273 9.532 1.00 0.00 ? 4 LYS A CE 14 ATOM 18496 N NZ . LYS A 1 4 ? -26.873 -0.618 10.641 1.00 0.00 ? 4 LYS A NZ 14 ATOM 18497 H H . LYS A 1 4 ? -28.160 -4.208 4.649 1.00 0.00 ? 4 LYS A H 14 ATOM 18498 H HA . LYS A 1 4 ? -26.099 -2.189 5.243 1.00 0.00 ? 4 LYS A HA 14 ATOM 18499 H HB2 . LYS A 1 4 ? -26.801 -4.696 6.780 1.00 0.00 ? 4 LYS A HB2 14 ATOM 18500 H HB3 . LYS A 1 4 ? -25.498 -3.588 7.189 1.00 0.00 ? 4 LYS A HB3 14 ATOM 18501 H HG2 . LYS A 1 4 ? -27.741 -1.968 7.003 1.00 0.00 ? 4 LYS A HG2 14 ATOM 18502 H HG3 . LYS A 1 4 ? -28.317 -3.434 7.799 1.00 0.00 ? 4 LYS A HG3 14 ATOM 18503 H HD2 . LYS A 1 4 ? -26.750 -3.217 9.552 1.00 0.00 ? 4 LYS A HD2 14 ATOM 18504 H HD3 . LYS A 1 4 ? -25.816 -2.008 8.668 1.00 0.00 ? 4 LYS A HD3 14 ATOM 18505 H HE2 . LYS A 1 4 ? -27.866 -0.531 8.787 1.00 0.00 ? 4 LYS A HE2 14 ATOM 18506 H HE3 . LYS A 1 4 ? -28.533 -1.699 9.926 1.00 0.00 ? 4 LYS A HE3 14 ATOM 18507 H HZ1 . LYS A 1 4 ? -25.895 -0.426 10.347 1.00 0.00 ? 4 LYS A HZ1 14 ATOM 18508 H HZ2 . LYS A 1 4 ? -27.328 0.282 10.897 1.00 0.00 ? 4 LYS A HZ2 14 ATOM 18509 H HZ3 . LYS A 1 4 ? -26.859 -1.236 11.477 1.00 0.00 ? 4 LYS A HZ3 14 ATOM 18510 N N . HIS A 1 5 ? -25.599 -4.322 3.267 1.00 0.00 ? 5 HIS A N 14 ATOM 18511 C CA . HIS A 1 5 ? -24.677 -5.108 2.455 1.00 0.00 ? 5 HIS A CA 14 ATOM 18512 C C . HIS A 1 5 ? -23.491 -4.258 2.012 1.00 0.00 ? 5 HIS A C 14 ATOM 18513 O O . HIS A 1 5 ? -22.352 -4.729 1.978 1.00 0.00 ? 5 HIS A O 14 ATOM 18514 C CB . HIS A 1 5 ? -25.398 -5.678 1.233 1.00 0.00 ? 5 HIS A CB 14 ATOM 18515 C CG . HIS A 1 5 ? -26.800 -6.120 1.518 1.00 0.00 ? 5 HIS A CG 14 ATOM 18516 N ND1 . HIS A 1 5 ? -27.212 -6.566 2.756 1.00 0.00 ? 5 HIS A ND1 14 ATOM 18517 C CD2 . HIS A 1 5 ? -27.889 -6.182 0.716 1.00 0.00 ? 5 HIS A CD2 14 ATOM 18518 C CE1 . HIS A 1 5 ? -28.494 -6.885 2.704 1.00 0.00 ? 5 HIS A CE1 14 ATOM 18519 N NE2 . HIS A 1 5 ? -28.927 -6.661 1.477 1.00 0.00 ? 5 HIS A NE2 14 ATOM 18520 H H . HIS A 1 5 ? -26.419 -3.977 2.859 1.00 0.00 ? 5 HIS A H 14 ATOM 18521 H HA . HIS A 1 5 ? -24.313 -5.924 3.062 1.00 0.00 ? 5 HIS A HA 14 ATOM 18522 H HB2 . HIS A 1 5 ? -25.438 -4.922 0.463 1.00 0.00 ? 5 HIS A HB2 14 ATOM 18523 H HB3 . HIS A 1 5 ? -24.847 -6.531 0.865 1.00 0.00 ? 5 HIS A HB3 14 ATOM 18524 H HD1 . HIS A 1 5 ? -26.650 -6.638 3.555 1.00 0.00 ? 5 HIS A HD1 14 ATOM 18525 H HD2 . HIS A 1 5 ? -27.933 -5.908 -0.329 1.00 0.00 ? 5 HIS A HD2 14 ATOM 18526 H HE1 . HIS A 1 5 ? -29.085 -7.262 3.524 1.00 0.00 ? 5 HIS A HE1 14 ATOM 18527 H HE2 . HIS A 1 5 ? -29.843 -6.812 1.163 1.00 0.00 ? 5 HIS A HE2 14 ATOM 18528 N N . HIS A 1 6 ? -23.764 -3.002 1.676 1.00 0.00 ? 6 HIS A N 14 ATOM 18529 C CA . HIS A 1 6 ? -22.718 -2.088 1.238 1.00 0.00 ? 6 HIS A CA 14 ATOM 18530 C C . HIS A 1 6 ? -21.687 -1.894 2.339 1.00 0.00 ? 6 HIS A C 14 ATOM 18531 O O . HIS A 1 6 ? -20.501 -2.114 2.124 1.00 0.00 ? 6 HIS A O 14 ATOM 18532 C CB . HIS A 1 6 ? -23.317 -0.739 0.833 1.00 0.00 ? 6 HIS A CB 14 ATOM 18533 C CG . HIS A 1 6 ? -24.145 -0.803 -0.413 1.00 0.00 ? 6 HIS A CG 14 ATOM 18534 N ND1 . HIS A 1 6 ? -24.432 -1.983 -1.068 1.00 0.00 ? 6 HIS A ND1 14 ATOM 18535 C CD2 . HIS A 1 6 ? -24.750 0.177 -1.125 1.00 0.00 ? 6 HIS A CD2 14 ATOM 18536 C CE1 . HIS A 1 6 ? -25.176 -1.726 -2.129 1.00 0.00 ? 6 HIS A CE1 14 ATOM 18537 N NE2 . HIS A 1 6 ? -25.383 -0.424 -2.186 1.00 0.00 ? 6 HIS A NE2 14 ATOM 18538 H H . HIS A 1 6 ? -24.689 -2.682 1.726 1.00 0.00 ? 6 HIS A H 14 ATOM 18539 H HA . HIS A 1 6 ? -22.229 -2.530 0.383 1.00 0.00 ? 6 HIS A HA 14 ATOM 18540 H HB2 . HIS A 1 6 ? -23.948 -0.380 1.632 1.00 0.00 ? 6 HIS A HB2 14 ATOM 18541 H HB3 . HIS A 1 6 ? -22.517 -0.033 0.667 1.00 0.00 ? 6 HIS A HB3 14 ATOM 18542 H HD1 . HIS A 1 6 ? -24.133 -2.876 -0.796 1.00 0.00 ? 6 HIS A HD1 14 ATOM 18543 H HD2 . HIS A 1 6 ? -24.737 1.235 -0.901 1.00 0.00 ? 6 HIS A HD2 14 ATOM 18544 H HE1 . HIS A 1 6 ? -25.552 -2.456 -2.829 1.00 0.00 ? 6 HIS A HE1 14 ATOM 18545 H HE2 . HIS A 1 6 ? -25.905 0.038 -2.875 1.00 0.00 ? 6 HIS A HE2 14 ATOM 18546 N N . GLU A 1 7 ? -22.148 -1.490 3.517 1.00 0.00 ? 7 GLU A N 14 ATOM 18547 C CA . GLU A 1 7 ? -21.260 -1.281 4.653 1.00 0.00 ? 7 GLU A CA 14 ATOM 18548 C C . GLU A 1 7 ? -20.397 -2.516 4.898 1.00 0.00 ? 7 GLU A C 14 ATOM 18549 O O . GLU A 1 7 ? -19.317 -2.423 5.479 1.00 0.00 ? 7 GLU A O 14 ATOM 18550 C CB . GLU A 1 7 ? -22.073 -0.955 5.908 1.00 0.00 ? 7 GLU A CB 14 ATOM 18551 C CG . GLU A 1 7 ? -21.684 0.362 6.560 1.00 0.00 ? 7 GLU A CG 14 ATOM 18552 C CD . GLU A 1 7 ? -22.865 1.070 7.194 1.00 0.00 ? 7 GLU A CD 14 ATOM 18553 O OE1 . GLU A 1 7 ? -23.597 1.773 6.465 1.00 0.00 ? 7 GLU A OE1 14 ATOM 18554 O OE2 . GLU A 1 7 ? -23.058 0.920 8.419 1.00 0.00 ? 7 GLU A OE2 14 ATOM 18555 H H . GLU A 1 7 ? -23.106 -1.333 3.626 1.00 0.00 ? 7 GLU A H 14 ATOM 18556 H HA . GLU A 1 7 ? -20.618 -0.444 4.424 1.00 0.00 ? 7 GLU A HA 14 ATOM 18557 H HB2 . GLU A 1 7 ? -23.119 -0.906 5.643 1.00 0.00 ? 7 GLU A HB2 14 ATOM 18558 H HB3 . GLU A 1 7 ? -21.930 -1.745 6.630 1.00 0.00 ? 7 GLU A HB3 14 ATOM 18559 H HG2 . GLU A 1 7 ? -20.948 0.167 7.325 1.00 0.00 ? 7 GLU A HG2 14 ATOM 18560 H HG3 . GLU A 1 7 ? -21.257 1.008 5.808 1.00 0.00 ? 7 GLU A HG3 14 ATOM 18561 N N . ASN A 1 8 ? -20.880 -3.673 4.447 1.00 0.00 ? 8 ASN A N 14 ATOM 18562 C CA . ASN A 1 8 ? -20.149 -4.925 4.614 1.00 0.00 ? 8 ASN A CA 14 ATOM 18563 C C . ASN A 1 8 ? -18.899 -4.935 3.742 1.00 0.00 ? 8 ASN A C 14 ATOM 18564 O O . ASN A 1 8 ? -17.776 -5.007 4.248 1.00 0.00 ? 8 ASN A O 14 ATOM 18565 C CB . ASN A 1 8 ? -21.043 -6.116 4.262 1.00 0.00 ? 8 ASN A CB 14 ATOM 18566 C CG . ASN A 1 8 ? -20.936 -7.239 5.275 1.00 0.00 ? 8 ASN A CG 14 ATOM 18567 O OD1 . ASN A 1 8 ? -20.967 -7.005 6.483 1.00 0.00 ? 8 ASN A OD1 14 ATOM 18568 N ND2 . ASN A 1 8 ? -20.809 -8.467 4.786 1.00 0.00 ? 8 ASN A ND2 14 ATOM 18569 H H . ASN A 1 8 ? -21.747 -3.684 3.990 1.00 0.00 ? 8 ASN A H 14 ATOM 18570 H HA . ASN A 1 8 ? -19.852 -5.001 5.649 1.00 0.00 ? 8 ASN A HA 14 ATOM 18571 H HB2 . ASN A 1 8 ? -22.071 -5.787 4.224 1.00 0.00 ? 8 ASN A HB2 14 ATOM 18572 H HB3 . ASN A 1 8 ? -20.755 -6.500 3.294 1.00 0.00 ? 8 ASN A HB3 14 ATOM 18573 H HD21 . ASN A 1 8 ? -20.791 -8.578 3.813 1.00 0.00 ? 8 ASN A HD21 14 ATOM 18574 H HD22 . ASN A 1 8 ? -20.737 -9.212 5.420 1.00 0.00 ? 8 ASN A HD22 14 ATOM 18575 N N . GLU A 1 9 ? -19.097 -4.837 2.429 1.00 0.00 ? 9 GLU A N 14 ATOM 18576 C CA . GLU A 1 9 ? -17.975 -4.813 1.497 1.00 0.00 ? 9 GLU A CA 14 ATOM 18577 C C . GLU A 1 9 ? -17.193 -3.502 1.620 1.00 0.00 ? 9 GLU A C 14 ATOM 18578 O O . GLU A 1 9 ? -16.113 -3.354 1.051 1.00 0.00 ? 9 GLU A O 14 ATOM 18579 C CB . GLU A 1 9 ? -18.473 -4.989 0.061 1.00 0.00 ? 9 GLU A CB 14 ATOM 18580 C CG . GLU A 1 9 ? -19.297 -6.250 -0.146 1.00 0.00 ? 9 GLU A CG 14 ATOM 18581 C CD . GLU A 1 9 ? -20.549 -6.001 -0.963 1.00 0.00 ? 9 GLU A CD 14 ATOM 18582 O OE1 . GLU A 1 9 ? -20.572 -5.014 -1.728 1.00 0.00 ? 9 GLU A OE1 14 ATOM 18583 O OE2 . GLU A 1 9 ? -21.507 -6.793 -0.839 1.00 0.00 ? 9 GLU A OE2 14 ATOM 18584 H H . GLU A 1 9 ? -20.015 -4.762 2.083 1.00 0.00 ? 9 GLU A H 14 ATOM 18585 H HA . GLU A 1 9 ? -17.318 -5.634 1.745 1.00 0.00 ? 9 GLU A HA 14 ATOM 18586 H HB2 . GLU A 1 9 ? -19.084 -4.139 -0.203 1.00 0.00 ? 9 GLU A HB2 14 ATOM 18587 H HB3 . GLU A 1 9 ? -17.622 -5.029 -0.602 1.00 0.00 ? 9 GLU A HB3 14 ATOM 18588 H HG2 . GLU A 1 9 ? -18.691 -6.981 -0.659 1.00 0.00 ? 9 GLU A HG2 14 ATOM 18589 H HG3 . GLU A 1 9 ? -19.585 -6.638 0.820 1.00 0.00 ? 9 GLU A HG3 14 ATOM 18590 N N . ILE A 1 10 ? -17.748 -2.555 2.376 1.00 0.00 ? 10 ILE A N 14 ATOM 18591 C CA . ILE A 1 10 ? -17.123 -1.262 2.589 1.00 0.00 ? 10 ILE A CA 14 ATOM 18592 C C . ILE A 1 10 ? -16.222 -1.313 3.819 1.00 0.00 ? 10 ILE A C 14 ATOM 18593 O O . ILE A 1 10 ? -15.236 -0.582 3.913 1.00 0.00 ? 10 ILE A O 14 ATOM 18594 C CB . ILE A 1 10 ? -18.209 -0.169 2.749 1.00 0.00 ? 10 ILE A CB 14 ATOM 18595 C CG1 . ILE A 1 10 ? -18.909 0.072 1.412 1.00 0.00 ? 10 ILE A CG1 14 ATOM 18596 C CG2 . ILE A 1 10 ? -17.637 1.135 3.286 1.00 0.00 ? 10 ILE A CG2 14 ATOM 18597 C CD1 . ILE A 1 10 ? -20.207 0.840 1.537 1.00 0.00 ? 10 ILE A CD1 14 ATOM 18598 H H . ILE A 1 10 ? -18.600 -2.730 2.810 1.00 0.00 ? 10 ILE A H 14 ATOM 18599 H HA . ILE A 1 10 ? -16.524 -1.030 1.720 1.00 0.00 ? 10 ILE A HA 14 ATOM 18600 H HB . ILE A 1 10 ? -18.938 -0.527 3.460 1.00 0.00 ? 10 ILE A HB 14 ATOM 18601 H HG12 . ILE A 1 10 ? -18.252 0.636 0.766 1.00 0.00 ? 10 ILE A HG12 14 ATOM 18602 H HG13 . ILE A 1 10 ? -19.129 -0.879 0.951 1.00 0.00 ? 10 ILE A HG13 14 ATOM 18603 H HG21 . ILE A 1 10 ? -17.067 0.937 4.181 1.00 0.00 ? 10 ILE A HG21 14 ATOM 18604 H HG22 . ILE A 1 10 ? -16.998 1.583 2.541 1.00 0.00 ? 10 ILE A HG22 14 ATOM 18605 H HG23 . ILE A 1 10 ? -18.449 1.809 3.519 1.00 0.00 ? 10 ILE A HG23 14 ATOM 18606 H HD11 . ILE A 1 10 ? -20.823 0.384 2.298 1.00 0.00 ? 10 ILE A HD11 14 ATOM 18607 H HD12 . ILE A 1 10 ? -19.995 1.863 1.810 1.00 0.00 ? 10 ILE A HD12 14 ATOM 18608 H HD13 . ILE A 1 10 ? -20.729 0.821 0.592 1.00 0.00 ? 10 ILE A HD13 14 ATOM 18609 N N . SER A 1 11 ? -16.557 -2.198 4.751 1.00 0.00 ? 11 SER A N 14 ATOM 18610 C CA . SER A 1 11 ? -15.766 -2.359 5.959 1.00 0.00 ? 11 SER A CA 14 ATOM 18611 C C . SER A 1 11 ? -14.547 -3.219 5.664 1.00 0.00 ? 11 SER A C 14 ATOM 18612 O O . SER A 1 11 ? -13.489 -3.052 6.270 1.00 0.00 ? 11 SER A O 14 ATOM 18613 C CB . SER A 1 11 ? -16.605 -2.994 7.070 1.00 0.00 ? 11 SER A CB 14 ATOM 18614 O OG . SER A 1 11 ? -16.634 -4.405 6.945 1.00 0.00 ? 11 SER A OG 14 ATOM 18615 H H . SER A 1 11 ? -17.345 -2.764 4.614 1.00 0.00 ? 11 SER A H 14 ATOM 18616 H HA . SER A 1 11 ? -15.436 -1.381 6.276 1.00 0.00 ? 11 SER A HA 14 ATOM 18617 H HB2 . SER A 1 11 ? -16.180 -2.739 8.030 1.00 0.00 ? 11 SER A HB2 14 ATOM 18618 H HB3 . SER A 1 11 ? -17.616 -2.619 7.014 1.00 0.00 ? 11 SER A HB3 14 ATOM 18619 H HG . SER A 1 11 ? -17.081 -4.785 7.704 1.00 0.00 ? 11 SER A HG 14 ATOM 18620 N N . HIS A 1 12 ? -14.703 -4.134 4.710 1.00 0.00 ? 12 HIS A N 14 ATOM 18621 C CA . HIS A 1 12 ? -13.616 -5.012 4.316 1.00 0.00 ? 12 HIS A CA 14 ATOM 18622 C C . HIS A 1 12 ? -12.639 -4.252 3.413 1.00 0.00 ? 12 HIS A C 14 ATOM 18623 O O . HIS A 1 12 ? -11.429 -4.260 3.653 1.00 0.00 ? 12 HIS A O 14 ATOM 18624 C CB . HIS A 1 12 ? -14.194 -6.279 3.646 1.00 0.00 ? 12 HIS A CB 14 ATOM 18625 C CG . HIS A 1 12 ? -13.468 -6.761 2.424 1.00 0.00 ? 12 HIS A CG 14 ATOM 18626 N ND1 . HIS A 1 12 ? -12.373 -7.599 2.475 1.00 0.00 ? 12 HIS A ND1 14 ATOM 18627 C CD2 . HIS A 1 12 ? -13.695 -6.517 1.117 1.00 0.00 ? 12 HIS A CD2 14 ATOM 18628 C CE1 . HIS A 1 12 ? -11.958 -7.849 1.245 1.00 0.00 ? 12 HIS A CE1 14 ATOM 18629 N NE2 . HIS A 1 12 ? -12.745 -7.204 0.403 1.00 0.00 ? 12 HIS A NE2 14 ATOM 18630 H H . HIS A 1 12 ? -15.569 -4.211 4.253 1.00 0.00 ? 12 HIS A H 14 ATOM 18631 H HA . HIS A 1 12 ? -13.092 -5.302 5.215 1.00 0.00 ? 12 HIS A HA 14 ATOM 18632 H HB2 . HIS A 1 12 ? -14.184 -7.083 4.364 1.00 0.00 ? 12 HIS A HB2 14 ATOM 18633 H HB3 . HIS A 1 12 ? -15.219 -6.081 3.362 1.00 0.00 ? 12 HIS A HB3 14 ATOM 18634 H HD1 . HIS A 1 12 ? -11.962 -7.956 3.288 1.00 0.00 ? 12 HIS A HD1 14 ATOM 18635 H HD2 . HIS A 1 12 ? -14.479 -5.891 0.712 1.00 0.00 ? 12 HIS A HD2 14 ATOM 18636 H HE1 . HIS A 1 12 ? -11.120 -8.473 0.974 1.00 0.00 ? 12 HIS A HE1 14 ATOM 18637 H HE2 . HIS A 1 12 ? -12.661 -7.216 -0.573 1.00 0.00 ? 12 HIS A HE2 14 ATOM 18638 N N . HIS A 1 13 ? -13.163 -3.576 2.390 1.00 0.00 ? 13 HIS A N 14 ATOM 18639 C CA . HIS A 1 13 ? -12.309 -2.805 1.494 1.00 0.00 ? 13 HIS A CA 14 ATOM 18640 C C . HIS A 1 13 ? -11.686 -1.637 2.245 1.00 0.00 ? 13 HIS A C 14 ATOM 18641 O O . HIS A 1 13 ? -10.620 -1.151 1.876 1.00 0.00 ? 13 HIS A O 14 ATOM 18642 C CB . HIS A 1 13 ? -13.090 -2.269 0.296 1.00 0.00 ? 13 HIS A CB 14 ATOM 18643 C CG . HIS A 1 13 ? -13.703 -3.323 -0.564 1.00 0.00 ? 13 HIS A CG 14 ATOM 18644 N ND1 . HIS A 1 13 ? -13.141 -4.567 -0.761 1.00 0.00 ? 13 HIS A ND1 14 ATOM 18645 C CD2 . HIS A 1 13 ? -14.837 -3.303 -1.293 1.00 0.00 ? 13 HIS A CD2 14 ATOM 18646 C CE1 . HIS A 1 13 ? -13.908 -5.267 -1.579 1.00 0.00 ? 13 HIS A CE1 14 ATOM 18647 N NE2 . HIS A 1 13 ? -14.945 -4.522 -1.915 1.00 0.00 ? 13 HIS A NE2 14 ATOM 18648 H H . HIS A 1 13 ? -14.135 -3.581 2.246 1.00 0.00 ? 13 HIS A H 14 ATOM 18649 H HA . HIS A 1 13 ? -11.522 -3.454 1.143 1.00 0.00 ? 13 HIS A HA 14 ATOM 18650 H HB2 . HIS A 1 13 ? -13.884 -1.629 0.649 1.00 0.00 ? 13 HIS A HB2 14 ATOM 18651 H HB3 . HIS A 1 13 ? -12.419 -1.692 -0.322 1.00 0.00 ? 13 HIS A HB3 14 ATOM 18652 H HD1 . HIS A 1 13 ? -12.305 -4.888 -0.363 1.00 0.00 ? 13 HIS A HD1 14 ATOM 18653 H HD2 . HIS A 1 13 ? -15.527 -2.475 -1.371 1.00 0.00 ? 13 HIS A HD2 14 ATOM 18654 H HE1 . HIS A 1 13 ? -13.720 -6.277 -1.913 1.00 0.00 ? 13 HIS A HE1 14 ATOM 18655 H HE2 . HIS A 1 13 ? -15.672 -4.796 -2.512 1.00 0.00 ? 13 HIS A HE2 14 ATOM 18656 N N . ALA A 1 14 ? -12.360 -1.188 3.303 1.00 0.00 ? 14 ALA A N 14 ATOM 18657 C CA . ALA A 1 14 ? -11.865 -0.079 4.105 1.00 0.00 ? 14 ALA A CA 14 ATOM 18658 C C . ALA A 1 14 ? -10.609 -0.492 4.855 1.00 0.00 ? 14 ALA A C 14 ATOM 18659 O O . ALA A 1 14 ? -9.603 0.217 4.842 1.00 0.00 ? 14 ALA A O 14 ATOM 18660 C CB . ALA A 1 14 ? -12.937 0.392 5.078 1.00 0.00 ? 14 ALA A CB 14 ATOM 18661 H H . ALA A 1 14 ? -13.208 -1.615 3.550 1.00 0.00 ? 14 ALA A H 14 ATOM 18662 H HA . ALA A 1 14 ? -11.627 0.737 3.439 1.00 0.00 ? 14 ALA A HA 14 ATOM 18663 H HB1 . ALA A 1 14 ? -12.466 0.792 5.964 1.00 0.00 ? 14 ALA A HB1 14 ATOM 18664 H HB2 . ALA A 1 14 ? -13.534 1.161 4.610 1.00 0.00 ? 14 ALA A HB2 14 ATOM 18665 H HB3 . ALA A 1 14 ? -13.568 -0.440 5.350 1.00 0.00 ? 14 ALA A HB3 14 ATOM 18666 N N . LYS A 1 15 ? -10.668 -1.654 5.493 1.00 0.00 ? 15 LYS A N 14 ATOM 18667 C CA . LYS A 1 15 ? -9.529 -2.174 6.233 1.00 0.00 ? 15 LYS A CA 14 ATOM 18668 C C . LYS A 1 15 ? -8.426 -2.626 5.278 1.00 0.00 ? 15 LYS A C 14 ATOM 18669 O O . LYS A 1 15 ? -7.278 -2.798 5.684 1.00 0.00 ? 15 LYS A O 14 ATOM 18670 C CB . LYS A 1 15 ? -9.961 -3.342 7.123 1.00 0.00 ? 15 LYS A CB 14 ATOM 18671 C CG . LYS A 1 15 ? -9.612 -3.150 8.590 1.00 0.00 ? 15 LYS A CG 14 ATOM 18672 C CD . LYS A 1 15 ? -9.878 -4.412 9.396 1.00 0.00 ? 15 LYS A CD 14 ATOM 18673 C CE . LYS A 1 15 ? -9.437 -4.252 10.841 1.00 0.00 ? 15 LYS A CE 14 ATOM 18674 N NZ . LYS A 1 15 ? -10.539 -3.752 11.707 1.00 0.00 ? 15 LYS A NZ 14 ATOM 18675 H H . LYS A 1 15 ? -11.497 -2.180 5.456 1.00 0.00 ? 15 LYS A H 14 ATOM 18676 H HA . LYS A 1 15 ? -9.148 -1.379 6.856 1.00 0.00 ? 15 LYS A HA 14 ATOM 18677 H HB2 . LYS A 1 15 ? -11.030 -3.464 7.042 1.00 0.00 ? 15 LYS A HB2 14 ATOM 18678 H HB3 . LYS A 1 15 ? -9.477 -4.242 6.776 1.00 0.00 ? 15 LYS A HB3 14 ATOM 18679 H HG2 . LYS A 1 15 ? -8.565 -2.898 8.672 1.00 0.00 ? 15 LYS A HG2 14 ATOM 18680 H HG3 . LYS A 1 15 ? -10.211 -2.345 8.990 1.00 0.00 ? 15 LYS A HG3 14 ATOM 18681 H HD2 . LYS A 1 15 ? -10.936 -4.624 9.374 1.00 0.00 ? 15 LYS A HD2 14 ATOM 18682 H HD3 . LYS A 1 15 ? -9.335 -5.233 8.950 1.00 0.00 ? 15 LYS A HD3 14 ATOM 18683 H HE2 . LYS A 1 15 ? -9.108 -5.212 11.211 1.00 0.00 ? 15 LYS A HE2 14 ATOM 18684 H HE3 . LYS A 1 15 ? -8.614 -3.553 10.878 1.00 0.00 ? 15 LYS A HE3 14 ATOM 18685 H HZ1 . LYS A 1 15 ? -10.875 -2.829 11.361 1.00 0.00 ? 15 LYS A HZ1 14 ATOM 18686 H HZ2 . LYS A 1 15 ? -11.333 -4.424 11.700 1.00 0.00 ? 15 LYS A HZ2 14 ATOM 18687 H HZ3 . LYS A 1 15 ? -10.203 -3.640 12.685 1.00 0.00 ? 15 LYS A HZ3 14 ATOM 18688 N N . GLU A 1 16 ? -8.781 -2.822 4.008 1.00 0.00 ? 16 GLU A N 14 ATOM 18689 C CA . GLU A 1 16 ? -7.816 -3.258 3.005 1.00 0.00 ? 16 GLU A CA 14 ATOM 18690 C C . GLU A 1 16 ? -7.025 -2.079 2.444 1.00 0.00 ? 16 GLU A C 14 ATOM 18691 O O . GLU A 1 16 ? -5.846 -2.215 2.123 1.00 0.00 ? 16 GLU A O 14 ATOM 18692 C CB . GLU A 1 16 ? -8.527 -3.997 1.870 1.00 0.00 ? 16 GLU A CB 14 ATOM 18693 C CG . GLU A 1 16 ? -9.033 -5.375 2.265 1.00 0.00 ? 16 GLU A CG 14 ATOM 18694 C CD . GLU A 1 16 ? -7.940 -6.426 2.239 1.00 0.00 ? 16 GLU A CD 14 ATOM 18695 O OE1 . GLU A 1 16 ? -7.729 -7.036 1.170 1.00 0.00 ? 16 GLU A OE1 14 ATOM 18696 O OE2 . GLU A 1 16 ? -7.296 -6.639 3.288 1.00 0.00 ? 16 GLU A OE2 14 ATOM 18697 H H . GLU A 1 16 ? -9.713 -2.677 3.739 1.00 0.00 ? 16 GLU A H 14 ATOM 18698 H HA . GLU A 1 16 ? -7.127 -3.934 3.486 1.00 0.00 ? 16 GLU A HA 14 ATOM 18699 H HB2 . GLU A 1 16 ? -9.371 -3.408 1.545 1.00 0.00 ? 16 GLU A HB2 14 ATOM 18700 H HB3 . GLU A 1 16 ? -7.840 -4.112 1.044 1.00 0.00 ? 16 GLU A HB3 14 ATOM 18701 H HG2 . GLU A 1 16 ? -9.437 -5.324 3.264 1.00 0.00 ? 16 GLU A HG2 14 ATOM 18702 H HG3 . GLU A 1 16 ? -9.812 -5.670 1.577 1.00 0.00 ? 16 GLU A HG3 14 ATOM 18703 N N . ILE A 1 17 ? -7.673 -0.921 2.327 1.00 0.00 ? 17 ILE A N 14 ATOM 18704 C CA . ILE A 1 17 ? -7.005 0.267 1.806 1.00 0.00 ? 17 ILE A CA 14 ATOM 18705 C C . ILE A 1 17 ? -6.173 0.932 2.894 1.00 0.00 ? 17 ILE A C 14 ATOM 18706 O O . ILE A 1 17 ? -5.132 1.529 2.619 1.00 0.00 ? 17 ILE A O 14 ATOM 18707 C CB . ILE A 1 17 ? -8.016 1.280 1.232 1.00 0.00 ? 17 ILE A CB 14 ATOM 18708 C CG1 . ILE A 1 17 ? -7.293 2.537 0.721 1.00 0.00 ? 17 ILE A CG1 14 ATOM 18709 C CG2 . ILE A 1 17 ? -9.068 1.637 2.274 1.00 0.00 ? 17 ILE A CG2 14 ATOM 18710 C CD1 . ILE A 1 17 ? -6.922 3.527 1.808 1.00 0.00 ? 17 ILE A CD1 14 ATOM 18711 H H . ILE A 1 17 ? -8.615 -0.863 2.597 1.00 0.00 ? 17 ILE A H 14 ATOM 18712 H HA . ILE A 1 17 ? -6.345 -0.044 1.009 1.00 0.00 ? 17 ILE A HA 14 ATOM 18713 H HB . ILE A 1 17 ? -8.523 0.810 0.402 1.00 0.00 ? 17 ILE A HB 14 ATOM 18714 H HG12 . ILE A 1 17 ? -6.382 2.239 0.224 1.00 0.00 ? 17 ILE A HG12 14 ATOM 18715 H HG13 . ILE A 1 17 ? -7.932 3.045 0.013 1.00 0.00 ? 17 ILE A HG13 14 ATOM 18716 H HG21 . ILE A 1 17 ? -8.686 1.420 3.260 1.00 0.00 ? 17 ILE A HG21 14 ATOM 18717 H HG22 . ILE A 1 17 ? -9.304 2.688 2.202 1.00 0.00 ? 17 ILE A HG22 14 ATOM 18718 H HG23 . ILE A 1 17 ? -9.961 1.054 2.098 1.00 0.00 ? 17 ILE A HG23 14 ATOM 18719 H HD11 . ILE A 1 17 ? -7.211 3.132 2.770 1.00 0.00 ? 17 ILE A HD11 14 ATOM 18720 H HD12 . ILE A 1 17 ? -5.855 3.694 1.793 1.00 0.00 ? 17 ILE A HD12 14 ATOM 18721 H HD13 . ILE A 1 17 ? -7.435 4.461 1.633 1.00 0.00 ? 17 ILE A HD13 14 ATOM 18722 N N . GLU A 1 18 ? -6.631 0.811 4.136 1.00 0.00 ? 18 GLU A N 14 ATOM 18723 C CA . GLU A 1 18 ? -5.921 1.388 5.268 1.00 0.00 ? 18 GLU A CA 14 ATOM 18724 C C . GLU A 1 18 ? -4.791 0.466 5.709 1.00 0.00 ? 18 GLU A C 14 ATOM 18725 O O . GLU A 1 18 ? -3.718 0.924 6.104 1.00 0.00 ? 18 GLU A O 14 ATOM 18726 C CB . GLU A 1 18 ? -6.883 1.635 6.433 1.00 0.00 ? 18 GLU A CB 14 ATOM 18727 C CG . GLU A 1 18 ? -6.541 2.869 7.252 1.00 0.00 ? 18 GLU A CG 14 ATOM 18728 C CD . GLU A 1 18 ? -7.413 3.009 8.484 1.00 0.00 ? 18 GLU A CD 14 ATOM 18729 O OE1 . GLU A 1 18 ? -8.576 3.443 8.343 1.00 0.00 ? 18 GLU A OE1 14 ATOM 18730 O OE2 . GLU A 1 18 ? -6.934 2.686 9.591 1.00 0.00 ? 18 GLU A OE2 14 ATOM 18731 H H . GLU A 1 18 ? -7.461 0.313 4.294 1.00 0.00 ? 18 GLU A H 14 ATOM 18732 H HA . GLU A 1 18 ? -5.499 2.329 4.951 1.00 0.00 ? 18 GLU A HA 14 ATOM 18733 H HB2 . GLU A 1 18 ? -7.881 1.755 6.040 1.00 0.00 ? 18 GLU A HB2 14 ATOM 18734 H HB3 . GLU A 1 18 ? -6.863 0.777 7.088 1.00 0.00 ? 18 GLU A HB3 14 ATOM 18735 H HG2 . GLU A 1 18 ? -5.509 2.804 7.566 1.00 0.00 ? 18 GLU A HG2 14 ATOM 18736 H HG3 . GLU A 1 18 ? -6.673 3.744 6.633 1.00 0.00 ? 18 GLU A HG3 14 ATOM 18737 N N . ARG A 1 19 ? -5.037 -0.839 5.629 1.00 0.00 ? 19 ARG A N 14 ATOM 18738 C CA . ARG A 1 19 ? -4.036 -1.826 6.009 1.00 0.00 ? 19 ARG A CA 14 ATOM 18739 C C . ARG A 1 19 ? -2.972 -1.943 4.928 1.00 0.00 ? 19 ARG A C 14 ATOM 18740 O O . ARG A 1 19 ? -1.804 -2.205 5.216 1.00 0.00 ? 19 ARG A O 14 ATOM 18741 C CB . ARG A 1 19 ? -4.692 -3.187 6.251 1.00 0.00 ? 19 ARG A CB 14 ATOM 18742 C CG . ARG A 1 19 ? -3.739 -4.230 6.810 1.00 0.00 ? 19 ARG A CG 14 ATOM 18743 C CD . ARG A 1 19 ? -3.993 -4.484 8.286 1.00 0.00 ? 19 ARG A CD 14 ATOM 18744 N NE . ARG A 1 19 ? -3.355 -3.478 9.132 1.00 0.00 ? 19 ARG A NE 14 ATOM 18745 C CZ . ARG A 1 19 ? -3.547 -3.391 10.444 1.00 0.00 ? 19 ARG A CZ 14 ATOM 18746 N NH1 . ARG A 1 19 ? -4.354 -4.246 11.056 1.00 0.00 ? 19 ARG A NH1 14 ATOM 18747 N NH2 . ARG A 1 19 ? -2.931 -2.448 11.145 1.00 0.00 ? 19 ARG A NH2 14 ATOM 18748 H H . ARG A 1 19 ? -5.908 -1.144 5.297 1.00 0.00 ? 19 ARG A H 14 ATOM 18749 H HA . ARG A 1 19 ? -3.570 -1.491 6.923 1.00 0.00 ? 19 ARG A HA 14 ATOM 18750 H HB2 . ARG A 1 19 ? -5.506 -3.063 6.950 1.00 0.00 ? 19 ARG A HB2 14 ATOM 18751 H HB3 . ARG A 1 19 ? -5.086 -3.555 5.314 1.00 0.00 ? 19 ARG A HB3 14 ATOM 18752 H HG2 . ARG A 1 19 ? -3.874 -5.155 6.268 1.00 0.00 ? 19 ARG A HG2 14 ATOM 18753 H HG3 . ARG A 1 19 ? -2.724 -3.882 6.682 1.00 0.00 ? 19 ARG A HG3 14 ATOM 18754 H HD2 . ARG A 1 19 ? -5.059 -4.465 8.463 1.00 0.00 ? 19 ARG A HD2 14 ATOM 18755 H HD3 . ARG A 1 19 ? -3.603 -5.457 8.544 1.00 0.00 ? 19 ARG A HD3 14 ATOM 18756 H HE . ARG A 1 19 ? -2.755 -2.836 8.699 1.00 0.00 ? 19 ARG A HE 14 ATOM 18757 H HH11 . ARG A 1 19 ? -4.819 -4.958 10.532 1.00 0.00 ? 19 ARG A HH11 14 ATOM 18758 H HH12 . ARG A 1 19 ? -4.496 -4.180 12.044 1.00 0.00 ? 19 ARG A HH12 14 ATOM 18759 H HH21 . ARG A 1 19 ? -2.321 -1.802 10.686 1.00 0.00 ? 19 ARG A HH21 14 ATOM 18760 H HH22 . ARG A 1 19 ? -3.076 -2.385 12.132 1.00 0.00 ? 19 ARG A HH22 14 ATOM 18761 N N . LEU A 1 20 ? -3.382 -1.733 3.680 1.00 0.00 ? 20 LEU A N 14 ATOM 18762 C CA . LEU A 1 20 ? -2.459 -1.803 2.559 1.00 0.00 ? 20 LEU A CA 14 ATOM 18763 C C . LEU A 1 20 ? -1.543 -0.589 2.563 1.00 0.00 ? 20 LEU A C 14 ATOM 18764 O O . LEU A 1 20 ? -0.348 -0.699 2.290 1.00 0.00 ? 20 LEU A O 14 ATOM 18765 C CB . LEU A 1 20 ? -3.229 -1.880 1.240 1.00 0.00 ? 20 LEU A CB 14 ATOM 18766 C CG . LEU A 1 20 ? -3.734 -3.273 0.864 1.00 0.00 ? 20 LEU A CG 14 ATOM 18767 C CD1 . LEU A 1 20 ? -4.835 -3.178 -0.181 1.00 0.00 ? 20 LEU A CD1 14 ATOM 18768 C CD2 . LEU A 1 20 ? -2.588 -4.136 0.357 1.00 0.00 ? 20 LEU A CD2 14 ATOM 18769 H H . LEU A 1 20 ? -4.324 -1.516 3.512 1.00 0.00 ? 20 LEU A H 14 ATOM 18770 H HA . LEU A 1 20 ? -1.861 -2.695 2.673 1.00 0.00 ? 20 LEU A HA 14 ATOM 18771 H HB2 . LEU A 1 20 ? -4.078 -1.216 1.303 1.00 0.00 ? 20 LEU A HB2 14 ATOM 18772 H HB3 . LEU A 1 20 ? -2.581 -1.531 0.449 1.00 0.00 ? 20 LEU A HB3 14 ATOM 18773 H HG . LEU A 1 20 ? -4.148 -3.747 1.742 1.00 0.00 ? 20 LEU A HG 14 ATOM 18774 H HD11 . LEU A 1 20 ? -5.002 -2.142 -0.435 1.00 0.00 ? 20 LEU A HD11 14 ATOM 18775 H HD12 . LEU A 1 20 ? -4.539 -3.723 -1.066 1.00 0.00 ? 20 LEU A HD12 14 ATOM 18776 H HD13 . LEU A 1 20 ? -5.745 -3.602 0.215 1.00 0.00 ? 20 LEU A HD13 14 ATOM 18777 H HD21 . LEU A 1 20 ? -1.680 -3.552 0.338 1.00 0.00 ? 20 LEU A HD21 14 ATOM 18778 H HD22 . LEU A 1 20 ? -2.457 -4.982 1.015 1.00 0.00 ? 20 LEU A HD22 14 ATOM 18779 H HD23 . LEU A 1 20 ? -2.814 -4.485 -0.639 1.00 0.00 ? 20 LEU A HD23 14 ATOM 18780 N N . GLN A 1 21 ? -2.112 0.571 2.881 1.00 0.00 ? 21 GLN A N 14 ATOM 18781 C CA . GLN A 1 21 ? -1.348 1.810 2.930 1.00 0.00 ? 21 GLN A CA 14 ATOM 18782 C C . GLN A 1 21 ? -0.268 1.735 4.003 1.00 0.00 ? 21 GLN A C 14 ATOM 18783 O O . GLN A 1 21 ? 0.868 2.158 3.785 1.00 0.00 ? 21 GLN A O 14 ATOM 18784 C CB . GLN A 1 21 ? -2.275 2.997 3.203 1.00 0.00 ? 21 GLN A CB 14 ATOM 18785 C CG . GLN A 1 21 ? -1.552 4.332 3.264 1.00 0.00 ? 21 GLN A CG 14 ATOM 18786 C CD . GLN A 1 21 ? -1.871 5.112 4.524 1.00 0.00 ? 21 GLN A CD 14 ATOM 18787 O OE1 . GLN A 1 21 ? -1.010 5.309 5.381 1.00 0.00 ? 21 GLN A OE1 14 ATOM 18788 N NE2 . GLN A 1 21 ? -3.117 5.559 4.643 1.00 0.00 ? 21 GLN A NE2 14 ATOM 18789 H H . GLN A 1 21 ? -3.070 0.592 3.094 1.00 0.00 ? 21 GLN A H 14 ATOM 18790 H HA . GLN A 1 21 ? -0.876 1.947 1.968 1.00 0.00 ? 21 GLN A HA 14 ATOM 18791 H HB2 . GLN A 1 21 ? -3.016 3.047 2.420 1.00 0.00 ? 21 GLN A HB2 14 ATOM 18792 H HB3 . GLN A 1 21 ? -2.773 2.839 4.148 1.00 0.00 ? 21 GLN A HB3 14 ATOM 18793 H HG2 . GLN A 1 21 ? -0.488 4.153 3.230 1.00 0.00 ? 21 GLN A HG2 14 ATOM 18794 H HG3 . GLN A 1 21 ? -1.844 4.923 2.408 1.00 0.00 ? 21 GLN A HG3 14 ATOM 18795 H HE21 . GLN A 1 21 ? -3.750 5.364 3.922 1.00 0.00 ? 21 GLN A HE21 14 ATOM 18796 H HE22 . GLN A 1 21 ? -3.350 6.066 5.448 1.00 0.00 ? 21 GLN A HE22 14 ATOM 18797 N N . LYS A 1 22 ? -0.627 1.190 5.161 1.00 0.00 ? 22 LYS A N 14 ATOM 18798 C CA . LYS A 1 22 ? 0.318 1.058 6.263 1.00 0.00 ? 22 LYS A CA 14 ATOM 18799 C C . LYS A 1 22 ? 1.460 0.120 5.886 1.00 0.00 ? 22 LYS A C 14 ATOM 18800 O O . LYS A 1 22 ? 2.615 0.352 6.247 1.00 0.00 ? 22 LYS A O 14 ATOM 18801 C CB . LYS A 1 22 ? -0.393 0.539 7.514 1.00 0.00 ? 22 LYS A CB 14 ATOM 18802 C CG . LYS A 1 22 ? 0.220 1.034 8.814 1.00 0.00 ? 22 LYS A CG 14 ATOM 18803 C CD . LYS A 1 22 ? 0.602 -0.121 9.725 1.00 0.00 ? 22 LYS A CD 14 ATOM 18804 C CE . LYS A 1 22 ? 1.879 -0.801 9.258 1.00 0.00 ? 22 LYS A CE 14 ATOM 18805 N NZ . LYS A 1 22 ? 3.096 -0.100 9.755 1.00 0.00 ? 22 LYS A NZ 14 ATOM 18806 H H . LYS A 1 22 ? -1.547 0.868 5.277 1.00 0.00 ? 22 LYS A H 14 ATOM 18807 H HA . LYS A 1 22 ? 0.725 2.037 6.471 1.00 0.00 ? 22 LYS A HA 14 ATOM 18808 H HB2 . LYS A 1 22 ? -1.425 0.856 7.485 1.00 0.00 ? 22 LYS A HB2 14 ATOM 18809 H HB3 . LYS A 1 22 ? -0.357 -0.540 7.512 1.00 0.00 ? 22 LYS A HB3 14 ATOM 18810 H HG2 . LYS A 1 22 ? 1.106 1.608 8.586 1.00 0.00 ? 22 LYS A HG2 14 ATOM 18811 H HG3 . LYS A 1 22 ? -0.496 1.662 9.322 1.00 0.00 ? 22 LYS A HG3 14 ATOM 18812 H HD2 . LYS A 1 22 ? 0.754 0.258 10.725 1.00 0.00 ? 22 LYS A HD2 14 ATOM 18813 H HD3 . LYS A 1 22 ? -0.200 -0.844 9.729 1.00 0.00 ? 22 LYS A HD3 14 ATOM 18814 H HE2 . LYS A 1 22 ? 1.885 -1.816 9.624 1.00 0.00 ? 22 LYS A HE2 14 ATOM 18815 H HE3 . LYS A 1 22 ? 1.893 -0.807 8.177 1.00 0.00 ? 22 LYS A HE3 14 ATOM 18816 H HZ1 . LYS A 1 22 ? 2.910 0.920 9.842 1.00 0.00 ? 22 LYS A HZ1 14 ATOM 18817 H HZ2 . LYS A 1 22 ? 3.367 -0.473 10.686 1.00 0.00 ? 22 LYS A HZ2 14 ATOM 18818 H HZ3 . LYS A 1 22 ? 3.885 -0.242 9.094 1.00 0.00 ? 22 LYS A HZ3 14 ATOM 18819 N N . GLU A 1 23 ? 1.129 -0.941 5.157 1.00 0.00 ? 23 GLU A N 14 ATOM 18820 C CA . GLU A 1 23 ? 2.124 -1.916 4.729 1.00 0.00 ? 23 GLU A CA 14 ATOM 18821 C C . GLU A 1 23 ? 3.141 -1.286 3.780 1.00 0.00 ? 23 GLU A C 14 ATOM 18822 O O . GLU A 1 23 ? 4.336 -1.578 3.852 1.00 0.00 ? 23 GLU A O 14 ATOM 18823 C CB . GLU A 1 23 ? 1.443 -3.104 4.047 1.00 0.00 ? 23 GLU A CB 14 ATOM 18824 C CG . GLU A 1 23 ? 1.790 -4.445 4.673 1.00 0.00 ? 23 GLU A CG 14 ATOM 18825 C CD . GLU A 1 23 ? 0.665 -4.999 5.527 1.00 0.00 ? 23 GLU A CD 14 ATOM 18826 O OE1 . GLU A 1 23 ? 0.475 -4.499 6.655 1.00 0.00 ? 23 GLU A OE1 14 ATOM 18827 O OE2 . GLU A 1 23 ? -0.025 -5.933 5.067 1.00 0.00 ? 23 GLU A OE2 14 ATOM 18828 H H . GLU A 1 23 ? 0.191 -1.071 4.900 1.00 0.00 ? 23 GLU A H 14 ATOM 18829 H HA . GLU A 1 23 ? 2.642 -2.268 5.608 1.00 0.00 ? 23 GLU A HA 14 ATOM 18830 H HB2 . GLU A 1 23 ? 0.372 -2.971 4.103 1.00 0.00 ? 23 GLU A HB2 14 ATOM 18831 H HB3 . GLU A 1 23 ? 1.740 -3.128 3.009 1.00 0.00 ? 23 GLU A HB3 14 ATOM 18832 H HG2 . GLU A 1 23 ? 2.003 -5.152 3.884 1.00 0.00 ? 23 GLU A HG2 14 ATOM 18833 H HG3 . GLU A 1 23 ? 2.666 -4.324 5.292 1.00 0.00 ? 23 GLU A HG3 14 ATOM 18834 N N . ILE A 1 24 ? 2.662 -0.420 2.891 1.00 0.00 ? 24 ILE A N 14 ATOM 18835 C CA . ILE A 1 24 ? 3.544 0.244 1.935 1.00 0.00 ? 24 ILE A CA 14 ATOM 18836 C C . ILE A 1 24 ? 4.543 1.139 2.670 1.00 0.00 ? 24 ILE A C 14 ATOM 18837 O O . ILE A 1 24 ? 5.714 1.220 2.301 1.00 0.00 ? 24 ILE A O 14 ATOM 18838 C CB . ILE A 1 24 ? 2.751 1.058 0.859 1.00 0.00 ? 24 ILE A CB 14 ATOM 18839 C CG1 . ILE A 1 24 ? 2.560 2.530 1.256 1.00 0.00 ? 24 ILE A CG1 14 ATOM 18840 C CG2 . ILE A 1 24 ? 1.396 0.420 0.587 1.00 0.00 ? 24 ILE A CG2 14 ATOM 18841 C CD1 . ILE A 1 24 ? 3.732 3.406 0.874 1.00 0.00 ? 24 ILE A CD1 14 ATOM 18842 H H . ILE A 1 24 ? 1.703 -0.223 2.884 1.00 0.00 ? 24 ILE A H 14 ATOM 18843 H HA . ILE A 1 24 ? 4.100 -0.531 1.422 1.00 0.00 ? 24 ILE A HA 14 ATOM 18844 H HB . ILE A 1 24 ? 3.317 1.020 -0.061 1.00 0.00 ? 24 ILE A HB 14 ATOM 18845 H HG12 . ILE A 1 24 ? 1.680 2.919 0.766 1.00 0.00 ? 24 ILE A HG12 14 ATOM 18846 H HG13 . ILE A 1 24 ? 2.429 2.595 2.326 1.00 0.00 ? 24 ILE A HG13 14 ATOM 18847 H HG21 . ILE A 1 24 ? 1.436 -0.631 0.834 1.00 0.00 ? 24 ILE A HG21 14 ATOM 18848 H HG22 . ILE A 1 24 ? 0.644 0.904 1.192 1.00 0.00 ? 24 ILE A HG22 14 ATOM 18849 H HG23 . ILE A 1 24 ? 1.146 0.537 -0.455 1.00 0.00 ? 24 ILE A HG23 14 ATOM 18850 H HD11 . ILE A 1 24 ? 4.495 2.801 0.402 1.00 0.00 ? 24 ILE A HD11 14 ATOM 18851 H HD12 . ILE A 1 24 ? 3.402 4.170 0.186 1.00 0.00 ? 24 ILE A HD12 14 ATOM 18852 H HD13 . ILE A 1 24 ? 4.139 3.870 1.760 1.00 0.00 ? 24 ILE A HD13 14 ATOM 18853 N N . GLU A 1 25 ? 4.062 1.806 3.717 1.00 0.00 ? 25 GLU A N 14 ATOM 18854 C CA . GLU A 1 25 ? 4.901 2.693 4.513 1.00 0.00 ? 25 GLU A CA 14 ATOM 18855 C C . GLU A 1 25 ? 6.064 1.922 5.123 1.00 0.00 ? 25 GLU A C 14 ATOM 18856 O O . GLU A 1 25 ? 7.203 2.386 5.106 1.00 0.00 ? 25 GLU A O 14 ATOM 18857 C CB . GLU A 1 25 ? 4.075 3.355 5.619 1.00 0.00 ? 25 GLU A CB 14 ATOM 18858 C CG . GLU A 1 25 ? 3.846 4.841 5.397 1.00 0.00 ? 25 GLU A CG 14 ATOM 18859 C CD . GLU A 1 25 ? 2.853 5.430 6.380 1.00 0.00 ? 25 GLU A CD 14 ATOM 18860 O OE1 . GLU A 1 25 ? 2.363 4.680 7.251 1.00 0.00 ? 25 GLU A OE1 14 ATOM 18861 O OE2 . GLU A 1 25 ? 2.567 6.642 6.282 1.00 0.00 ? 25 GLU A OE2 14 ATOM 18862 H H . GLU A 1 25 ? 3.119 1.696 3.961 1.00 0.00 ? 25 GLU A H 14 ATOM 18863 H HA . GLU A 1 25 ? 5.291 3.457 3.858 1.00 0.00 ? 25 GLU A HA 14 ATOM 18864 H HB2 . GLU A 1 25 ? 3.113 2.868 5.675 1.00 0.00 ? 25 GLU A HB2 14 ATOM 18865 H HB3 . GLU A 1 25 ? 4.589 3.229 6.560 1.00 0.00 ? 25 GLU A HB3 14 ATOM 18866 H HG2 . GLU A 1 25 ? 4.787 5.359 5.506 1.00 0.00 ? 25 GLU A HG2 14 ATOM 18867 H HG3 . GLU A 1 25 ? 3.468 4.990 4.396 1.00 0.00 ? 25 GLU A HG3 14 ATOM 18868 N N . ARG A 1 26 ? 5.772 0.740 5.655 1.00 0.00 ? 26 ARG A N 14 ATOM 18869 C CA . ARG A 1 26 ? 6.800 -0.096 6.261 1.00 0.00 ? 26 ARG A CA 14 ATOM 18870 C C . ARG A 1 26 ? 7.918 -0.366 5.261 1.00 0.00 ? 26 ARG A C 14 ATOM 18871 O O . ARG A 1 26 ? 9.098 -0.176 5.562 1.00 0.00 ? 26 ARG A O 14 ATOM 18872 C CB . ARG A 1 26 ? 6.198 -1.417 6.743 1.00 0.00 ? 26 ARG A CB 14 ATOM 18873 C CG . ARG A 1 26 ? 7.215 -2.353 7.375 1.00 0.00 ? 26 ARG A CG 14 ATOM 18874 C CD . ARG A 1 26 ? 6.665 -3.764 7.508 1.00 0.00 ? 26 ARG A CD 14 ATOM 18875 N NE . ARG A 1 26 ? 5.396 -3.792 8.229 1.00 0.00 ? 26 ARG A NE 14 ATOM 18876 C CZ . ARG A 1 26 ? 4.737 -4.910 8.517 1.00 0.00 ? 26 ARG A CZ 14 ATOM 18877 N NH1 . ARG A 1 26 ? 5.226 -6.084 8.146 1.00 0.00 ? 26 ARG A NH1 14 ATOM 18878 N NH2 . ARG A 1 26 ? 3.587 -4.853 9.176 1.00 0.00 ? 26 ARG A NH2 14 ATOM 18879 H H . ARG A 1 26 ? 4.845 0.420 5.633 1.00 0.00 ? 26 ARG A H 14 ATOM 18880 H HA . ARG A 1 26 ? 7.208 0.437 7.106 1.00 0.00 ? 26 ARG A HA 14 ATOM 18881 H HB2 . ARG A 1 26 ? 5.433 -1.204 7.475 1.00 0.00 ? 26 ARG A HB2 14 ATOM 18882 H HB3 . ARG A 1 26 ? 5.748 -1.924 5.902 1.00 0.00 ? 26 ARG A HB3 14 ATOM 18883 H HG2 . ARG A 1 26 ? 8.099 -2.379 6.757 1.00 0.00 ? 26 ARG A HG2 14 ATOM 18884 H HG3 . ARG A 1 26 ? 7.470 -1.983 8.357 1.00 0.00 ? 26 ARG A HG3 14 ATOM 18885 H HD2 . ARG A 1 26 ? 6.515 -4.173 6.519 1.00 0.00 ? 26 ARG A HD2 14 ATOM 18886 H HD3 . ARG A 1 26 ? 7.385 -4.368 8.041 1.00 0.00 ? 26 ARG A HD3 14 ATOM 18887 H HE . ARG A 1 26 ? 5.016 -2.935 8.512 1.00 0.00 ? 26 ARG A HE 14 ATOM 18888 H HH11 . ARG A 1 26 ? 6.092 -6.131 7.649 1.00 0.00 ? 26 ARG A HH11 14 ATOM 18889 H HH12 . ARG A 1 26 ? 4.729 -6.925 8.363 1.00 0.00 ? 26 ARG A HH12 14 ATOM 18890 H HH21 . ARG A 1 26 ? 3.216 -3.969 9.458 1.00 0.00 ? 26 ARG A HH21 14 ATOM 18891 H HH22 . ARG A 1 26 ? 3.093 -5.695 9.391 1.00 0.00 ? 26 ARG A HH22 14 ATOM 18892 N N . HIS A 1 27 ? 7.536 -0.799 4.063 1.00 0.00 ? 27 HIS A N 14 ATOM 18893 C CA . HIS A 1 27 ? 8.505 -1.083 3.014 1.00 0.00 ? 27 HIS A CA 14 ATOM 18894 C C . HIS A 1 27 ? 9.219 0.194 2.582 1.00 0.00 ? 27 HIS A C 14 ATOM 18895 O O . HIS A 1 27 ? 10.331 0.148 2.055 1.00 0.00 ? 27 HIS A O 14 ATOM 18896 C CB . HIS A 1 27 ? 7.812 -1.728 1.810 1.00 0.00 ? 27 HIS A CB 14 ATOM 18897 C CG . HIS A 1 27 ? 8.231 -3.144 1.566 1.00 0.00 ? 27 HIS A CG 14 ATOM 18898 N ND1 . HIS A 1 27 ? 9.434 -3.483 0.982 1.00 0.00 ? 27 HIS A ND1 14 ATOM 18899 C CD2 . HIS A 1 27 ? 7.602 -4.313 1.832 1.00 0.00 ? 27 HIS A CD2 14 ATOM 18900 C CE1 . HIS A 1 27 ? 9.525 -4.798 0.898 1.00 0.00 ? 27 HIS A CE1 14 ATOM 18901 N NE2 . HIS A 1 27 ? 8.427 -5.325 1.408 1.00 0.00 ? 27 HIS A NE2 14 ATOM 18902 H H . HIS A 1 27 ? 6.578 -0.923 3.881 1.00 0.00 ? 27 HIS A H 14 ATOM 18903 H HA . HIS A 1 27 ? 9.233 -1.773 3.411 1.00 0.00 ? 27 HIS A HA 14 ATOM 18904 H HB2 . HIS A 1 27 ? 6.745 -1.722 1.973 1.00 0.00 ? 27 HIS A HB2 14 ATOM 18905 H HB3 . HIS A 1 27 ? 8.040 -1.154 0.924 1.00 0.00 ? 27 HIS A HB3 14 ATOM 18906 H HD1 . HIS A 1 27 ? 10.118 -2.853 0.674 1.00 0.00 ? 27 HIS A HD1 14 ATOM 18907 H HD2 . HIS A 1 27 ? 6.631 -4.428 2.294 1.00 0.00 ? 27 HIS A HD2 14 ATOM 18908 H HE1 . HIS A 1 27 ? 10.357 -5.349 0.484 1.00 0.00 ? 27 HIS A HE1 14 ATOM 18909 H HE2 . HIS A 1 27 ? 8.235 -6.284 1.470 1.00 0.00 ? 27 HIS A HE2 14 ATOM 18910 N N . LYS A 1 28 ? 8.572 1.335 2.808 1.00 0.00 ? 28 LYS A N 14 ATOM 18911 C CA . LYS A 1 28 ? 9.144 2.625 2.445 1.00 0.00 ? 28 LYS A CA 14 ATOM 18912 C C . LYS A 1 28 ? 10.195 3.060 3.460 1.00 0.00 ? 28 LYS A C 14 ATOM 18913 O O . LYS A 1 28 ? 11.102 3.828 3.139 1.00 0.00 ? 28 LYS A O 14 ATOM 18914 C CB . LYS A 1 28 ? 8.044 3.684 2.346 1.00 0.00 ? 28 LYS A CB 14 ATOM 18915 C CG . LYS A 1 28 ? 8.472 4.936 1.600 1.00 0.00 ? 28 LYS A CG 14 ATOM 18916 C CD . LYS A 1 28 ? 8.599 6.127 2.535 1.00 0.00 ? 28 LYS A CD 14 ATOM 18917 C CE . LYS A 1 28 ? 7.237 6.617 3.001 1.00 0.00 ? 28 LYS A CE 14 ATOM 18918 N NZ . LYS A 1 28 ? 7.294 7.196 4.372 1.00 0.00 ? 28 LYS A NZ 14 ATOM 18919 H H . LYS A 1 28 ? 7.689 1.308 3.232 1.00 0.00 ? 28 LYS A H 14 ATOM 18920 H HA . LYS A 1 28 ? 9.615 2.516 1.482 1.00 0.00 ? 28 LYS A HA 14 ATOM 18921 H HB2 . LYS A 1 28 ? 7.195 3.257 1.834 1.00 0.00 ? 28 LYS A HB2 14 ATOM 18922 H HB3 . LYS A 1 28 ? 7.745 3.970 3.343 1.00 0.00 ? 28 LYS A HB3 14 ATOM 18923 H HG2 . LYS A 1 28 ? 9.429 4.757 1.131 1.00 0.00 ? 28 LYS A HG2 14 ATOM 18924 H HG3 . LYS A 1 28 ? 7.735 5.162 0.842 1.00 0.00 ? 28 LYS A HG3 14 ATOM 18925 H HD2 . LYS A 1 28 ? 9.179 5.835 3.398 1.00 0.00 ? 28 LYS A HD2 14 ATOM 18926 H HD3 . LYS A 1 28 ? 9.102 6.929 2.015 1.00 0.00 ? 28 LYS A HD3 14 ATOM 18927 H HE2 . LYS A 1 28 ? 6.887 7.374 2.315 1.00 0.00 ? 28 LYS A HE2 14 ATOM 18928 H HE3 . LYS A 1 28 ? 6.549 5.784 2.999 1.00 0.00 ? 28 LYS A HE3 14 ATOM 18929 H HZ1 . LYS A 1 28 ? 8.202 6.964 4.821 1.00 0.00 ? 28 LYS A HZ1 14 ATOM 18930 H HZ2 . LYS A 1 28 ? 7.195 8.231 4.328 1.00 0.00 ? 28 LYS A HZ2 14 ATOM 18931 H HZ3 . LYS A 1 28 ? 6.523 6.810 4.955 1.00 0.00 ? 28 LYS A HZ3 14 ATOM 18932 N N . GLN A 1 29 ? 10.070 2.561 4.686 1.00 0.00 ? 29 GLN A N 14 ATOM 18933 C CA . GLN A 1 29 ? 11.011 2.896 5.746 1.00 0.00 ? 29 GLN A CA 14 ATOM 18934 C C . GLN A 1 29 ? 12.304 2.106 5.585 1.00 0.00 ? 29 GLN A C 14 ATOM 18935 O O . GLN A 1 29 ? 13.396 2.632 5.801 1.00 0.00 ? 29 GLN A O 14 ATOM 18936 C CB . GLN A 1 29 ? 10.392 2.612 7.116 1.00 0.00 ? 29 GLN A CB 14 ATOM 18937 C CG . GLN A 1 29 ? 11.253 3.075 8.280 1.00 0.00 ? 29 GLN A CG 14 ATOM 18938 C CD . GLN A 1 29 ? 10.528 2.994 9.609 1.00 0.00 ? 29 GLN A CD 14 ATOM 18939 O OE1 . GLN A 1 29 ? 10.848 2.159 10.455 1.00 0.00 ? 29 GLN A OE1 14 ATOM 18940 N NE2 . GLN A 1 29 ? 9.544 3.866 9.800 1.00 0.00 ? 29 GLN A NE2 14 ATOM 18941 H H . GLN A 1 29 ? 9.328 1.951 4.880 1.00 0.00 ? 29 GLN A H 14 ATOM 18942 H HA . GLN A 1 29 ? 11.233 3.949 5.672 1.00 0.00 ? 29 GLN A HA 14 ATOM 18943 H HB2 . GLN A 1 29 ? 9.439 3.115 7.178 1.00 0.00 ? 29 GLN A HB2 14 ATOM 18944 H HB3 . GLN A 1 29 ? 10.235 1.548 7.214 1.00 0.00 ? 29 GLN A HB3 14 ATOM 18945 H HG2 . GLN A 1 29 ? 12.134 2.451 8.329 1.00 0.00 ? 29 GLN A HG2 14 ATOM 18946 H HG3 . GLN A 1 29 ? 11.548 4.100 8.108 1.00 0.00 ? 29 GLN A HG3 14 ATOM 18947 H HE21 . GLN A 1 29 ? 9.344 4.502 9.082 1.00 0.00 ? 29 GLN A HE21 14 ATOM 18948 H HE22 . GLN A 1 29 ? 9.058 3.836 10.650 1.00 0.00 ? 29 GLN A HE22 14 ATOM 18949 N N . SER A 1 30 ? 12.172 0.841 5.201 1.00 0.00 ? 30 SER A N 14 ATOM 18950 C CA . SER A 1 30 ? 13.331 -0.022 5.008 1.00 0.00 ? 30 SER A CA 14 ATOM 18951 C C . SER A 1 30 ? 14.115 0.389 3.765 1.00 0.00 ? 30 SER A C 14 ATOM 18952 O O . SER A 1 30 ? 15.345 0.348 3.754 1.00 0.00 ? 30 SER A O 14 ATOM 18953 C CB . SER A 1 30 ? 12.892 -1.483 4.889 1.00 0.00 ? 30 SER A CB 14 ATOM 18954 O OG . SER A 1 30 ? 11.803 -1.617 3.992 1.00 0.00 ? 30 SER A OG 14 ATOM 18955 H H . SER A 1 30 ? 11.273 0.479 5.044 1.00 0.00 ? 30 SER A H 14 ATOM 18956 H HA . SER A 1 30 ? 13.970 0.083 5.872 1.00 0.00 ? 30 SER A HA 14 ATOM 18957 H HB2 . SER A 1 30 ? 13.717 -2.075 4.525 1.00 0.00 ? 30 SER A HB2 14 ATOM 18958 H HB3 . SER A 1 30 ? 12.589 -1.846 5.861 1.00 0.00 ? 30 SER A HB3 14 ATOM 18959 H HG . SER A 1 30 ? 11.642 -2.548 3.821 1.00 0.00 ? 30 SER A HG 14 ATOM 18960 N N . ILE A 1 31 ? 13.396 0.787 2.720 1.00 0.00 ? 31 ILE A N 14 ATOM 18961 C CA . ILE A 1 31 ? 14.028 1.206 1.476 1.00 0.00 ? 31 ILE A CA 14 ATOM 18962 C C . ILE A 1 31 ? 14.631 2.598 1.612 1.00 0.00 ? 31 ILE A C 14 ATOM 18963 O O . ILE A 1 31 ? 15.608 2.932 0.940 1.00 0.00 ? 31 ILE A O 14 ATOM 18964 C CB . ILE A 1 31 ? 13.019 1.200 0.313 1.00 0.00 ? 31 ILE A CB 14 ATOM 18965 C CG1 . ILE A 1 31 ? 13.687 1.641 -0.988 1.00 0.00 ? 31 ILE A CG1 14 ATOM 18966 C CG2 . ILE A 1 31 ? 11.837 2.097 0.633 1.00 0.00 ? 31 ILE A CG2 14 ATOM 18967 C CD1 . ILE A 1 31 ? 14.564 0.576 -1.604 1.00 0.00 ? 31 ILE A CD1 14 ATOM 18968 H H . ILE A 1 31 ? 12.416 0.801 2.788 1.00 0.00 ? 31 ILE A H 14 ATOM 18969 H HA . ILE A 1 31 ? 14.815 0.503 1.248 1.00 0.00 ? 31 ILE A HA 14 ATOM 18970 H HB . ILE A 1 31 ? 12.654 0.192 0.195 1.00 0.00 ? 31 ILE A HB 14 ATOM 18971 H HG12 . ILE A 1 31 ? 12.923 1.894 -1.708 1.00 0.00 ? 31 ILE A HG12 14 ATOM 18972 H HG13 . ILE A 1 31 ? 14.300 2.509 -0.797 1.00 0.00 ? 31 ILE A HG13 14 ATOM 18973 H HG21 . ILE A 1 31 ? 11.830 2.320 1.690 1.00 0.00 ? 31 ILE A HG21 14 ATOM 18974 H HG22 . ILE A 1 31 ? 11.920 3.016 0.071 1.00 0.00 ? 31 ILE A HG22 14 ATOM 18975 H HG23 . ILE A 1 31 ? 10.920 1.593 0.366 1.00 0.00 ? 31 ILE A HG23 14 ATOM 18976 H HD11 . ILE A 1 31 ? 15.232 0.181 -0.852 1.00 0.00 ? 31 ILE A HD11 14 ATOM 18977 H HD12 . ILE A 1 31 ? 13.945 -0.220 -1.988 1.00 0.00 ? 31 ILE A HD12 14 ATOM 18978 H HD13 . ILE A 1 31 ? 15.141 1.006 -2.409 1.00 0.00 ? 31 ILE A HD13 14 ATOM 18979 N N . LYS A 1 32 ? 14.046 3.407 2.489 1.00 0.00 ? 32 LYS A N 14 ATOM 18980 C CA . LYS A 1 32 ? 14.530 4.762 2.719 1.00 0.00 ? 32 LYS A CA 14 ATOM 18981 C C . LYS A 1 32 ? 15.793 4.746 3.573 1.00 0.00 ? 32 LYS A C 14 ATOM 18982 O O . LYS A 1 32 ? 16.641 5.631 3.464 1.00 0.00 ? 32 LYS A O 14 ATOM 18983 C CB . LYS A 1 32 ? 13.450 5.605 3.399 1.00 0.00 ? 32 LYS A CB 14 ATOM 18984 C CG . LYS A 1 32 ? 13.878 7.039 3.671 1.00 0.00 ? 32 LYS A CG 14 ATOM 18985 C CD . LYS A 1 32 ? 13.514 7.470 5.082 1.00 0.00 ? 32 LYS A CD 14 ATOM 18986 C CE . LYS A 1 32 ? 14.656 7.218 6.053 1.00 0.00 ? 32 LYS A CE 14 ATOM 18987 N NZ . LYS A 1 32 ? 14.297 7.607 7.446 1.00 0.00 ? 32 LYS A NZ 14 ATOM 18988 H H . LYS A 1 32 ? 13.274 3.083 2.998 1.00 0.00 ? 32 LYS A H 14 ATOM 18989 H HA . LYS A 1 32 ? 14.765 5.198 1.760 1.00 0.00 ? 32 LYS A HA 14 ATOM 18990 H HB2 . LYS A 1 32 ? 12.575 5.627 2.766 1.00 0.00 ? 32 LYS A HB2 14 ATOM 18991 H HB3 . LYS A 1 32 ? 13.191 5.146 4.341 1.00 0.00 ? 32 LYS A HB3 14 ATOM 18992 H HG2 . LYS A 1 32 ? 14.947 7.114 3.547 1.00 0.00 ? 32 LYS A HG2 14 ATOM 18993 H HG3 . LYS A 1 32 ? 13.384 7.691 2.966 1.00 0.00 ? 32 LYS A HG3 14 ATOM 18994 H HD2 . LYS A 1 32 ? 13.285 8.525 5.078 1.00 0.00 ? 32 LYS A HD2 14 ATOM 18995 H HD3 . LYS A 1 32 ? 12.648 6.912 5.407 1.00 0.00 ? 32 LYS A HD3 14 ATOM 18996 H HE2 . LYS A 1 32 ? 14.902 6.167 6.035 1.00 0.00 ? 32 LYS A HE2 14 ATOM 18997 H HE3 . LYS A 1 32 ? 15.513 7.794 5.738 1.00 0.00 ? 32 LYS A HE3 14 ATOM 18998 H HZ1 . LYS A 1 32 ? 13.330 7.292 7.666 1.00 0.00 ? 32 LYS A HZ1 14 ATOM 18999 H HZ2 . LYS A 1 32 ? 14.955 7.167 8.120 1.00 0.00 ? 32 LYS A HZ2 14 ATOM 19000 H HZ3 . LYS A 1 32 ? 14.348 8.640 7.553 1.00 0.00 ? 32 LYS A HZ3 14 ATOM 19001 N N . LYS A 1 33 ? 15.913 3.729 4.421 1.00 0.00 ? 33 LYS A N 14 ATOM 19002 C CA . LYS A 1 33 ? 17.074 3.592 5.292 1.00 0.00 ? 33 LYS A CA 14 ATOM 19003 C C . LYS A 1 33 ? 18.267 3.043 4.517 1.00 0.00 ? 33 LYS A C 14 ATOM 19004 O O . LYS A 1 33 ? 19.409 3.438 4.754 1.00 0.00 ? 33 LYS A O 14 ATOM 19005 C CB . LYS A 1 33 ? 16.750 2.675 6.472 1.00 0.00 ? 33 LYS A CB 14 ATOM 19006 C CG . LYS A 1 33 ? 16.392 3.425 7.745 1.00 0.00 ? 33 LYS A CG 14 ATOM 19007 C CD . LYS A 1 33 ? 17.305 3.035 8.896 1.00 0.00 ? 33 LYS A CD 14 ATOM 19008 C CE . LYS A 1 33 ? 18.531 3.933 8.962 1.00 0.00 ? 33 LYS A CE 14 ATOM 19009 N NZ . LYS A 1 33 ? 19.267 3.772 10.246 1.00 0.00 ? 33 LYS A NZ 14 ATOM 19010 H H . LYS A 1 33 ? 15.205 3.052 4.460 1.00 0.00 ? 33 LYS A H 14 ATOM 19011 H HA . LYS A 1 33 ? 17.325 4.573 5.667 1.00 0.00 ? 33 LYS A HA 14 ATOM 19012 H HB2 . LYS A 1 33 ? 15.915 2.045 6.204 1.00 0.00 ? 33 LYS A HB2 14 ATOM 19013 H HB3 . LYS A 1 33 ? 17.608 2.053 6.675 1.00 0.00 ? 33 LYS A HB3 14 ATOM 19014 H HG2 . LYS A 1 33 ? 16.488 4.485 7.566 1.00 0.00 ? 33 LYS A HG2 14 ATOM 19015 H HG3 . LYS A 1 33 ? 15.372 3.194 8.012 1.00 0.00 ? 33 LYS A HG3 14 ATOM 19016 H HD2 . LYS A 1 33 ? 16.758 3.121 9.822 1.00 0.00 ? 33 LYS A HD2 14 ATOM 19017 H HD3 . LYS A 1 33 ? 17.626 2.013 8.758 1.00 0.00 ? 33 LYS A HD3 14 ATOM 19018 H HE2 . LYS A 1 33 ? 19.190 3.683 8.145 1.00 0.00 ? 33 LYS A HE2 14 ATOM 19019 H HE3 . LYS A 1 33 ? 18.213 4.961 8.866 1.00 0.00 ? 33 LYS A HE3 14 ATOM 19020 H HZ1 . LYS A 1 33 ? 18.974 2.894 10.719 1.00 0.00 ? 33 LYS A HZ1 14 ATOM 19021 H HZ2 . LYS A 1 33 ? 20.291 3.731 10.068 1.00 0.00 ? 33 LYS A HZ2 14 ATOM 19022 H HZ3 . LYS A 1 33 ? 19.069 4.576 10.875 1.00 0.00 ? 33 LYS A HZ3 14 ATOM 19023 N N . LEU A 1 34 ? 17.994 2.131 3.590 1.00 0.00 ? 34 LEU A N 14 ATOM 19024 C CA . LEU A 1 34 ? 19.043 1.528 2.778 1.00 0.00 ? 34 LEU A CA 14 ATOM 19025 C C . LEU A 1 34 ? 19.563 2.519 1.742 1.00 0.00 ? 34 LEU A C 14 ATOM 19026 O O . LEU A 1 34 ? 20.736 2.485 1.369 1.00 0.00 ? 34 LEU A O 14 ATOM 19027 C CB . LEU A 1 34 ? 18.520 0.271 2.080 1.00 0.00 ? 34 LEU A CB 14 ATOM 19028 C CG . LEU A 1 34 ? 18.883 -1.048 2.764 1.00 0.00 ? 34 LEU A CG 14 ATOM 19029 C CD1 . LEU A 1 34 ? 17.961 -2.163 2.297 1.00 0.00 ? 34 LEU A CD1 14 ATOM 19030 C CD2 . LEU A 1 34 ? 20.337 -1.406 2.491 1.00 0.00 ? 34 LEU A CD2 14 ATOM 19031 H H . LEU A 1 34 ? 17.063 1.858 3.446 1.00 0.00 ? 34 LEU A H 14 ATOM 19032 H HA . LEU A 1 34 ? 19.854 1.254 3.435 1.00 0.00 ? 34 LEU A HA 14 ATOM 19033 H HB2 . LEU A 1 34 ? 17.443 0.339 2.023 1.00 0.00 ? 34 LEU A HB2 14 ATOM 19034 H HB3 . LEU A 1 34 ? 18.916 0.251 1.076 1.00 0.00 ? 34 LEU A HB3 14 ATOM 19035 H HG . LEU A 1 34 ? 18.759 -0.938 3.831 1.00 0.00 ? 34 LEU A HG 14 ATOM 19036 H HD11 . LEU A 1 34 ? 17.677 -1.988 1.270 1.00 0.00 ? 34 LEU A HD11 14 ATOM 19037 H HD12 . LEU A 1 34 ? 18.475 -3.110 2.372 1.00 0.00 ? 34 LEU A HD12 14 ATOM 19038 H HD13 . LEU A 1 34 ? 17.077 -2.183 2.916 1.00 0.00 ? 34 LEU A HD13 14 ATOM 19039 H HD21 . LEU A 1 34 ? 20.923 -0.502 2.421 1.00 0.00 ? 34 LEU A HD21 14 ATOM 19040 H HD22 . LEU A 1 34 ? 20.714 -2.018 3.298 1.00 0.00 ? 34 LEU A HD22 14 ATOM 19041 H HD23 . LEU A 1 34 ? 20.405 -1.952 1.562 1.00 0.00 ? 34 LEU A HD23 14 ATOM 19042 N N . LYS A 1 35 ? 18.683 3.405 1.284 1.00 0.00 ? 35 LYS A N 14 ATOM 19043 C CA . LYS A 1 35 ? 19.055 4.407 0.292 1.00 0.00 ? 35 LYS A CA 14 ATOM 19044 C C . LYS A 1 35 ? 19.871 5.526 0.931 1.00 0.00 ? 35 LYS A C 14 ATOM 19045 O O . LYS A 1 35 ? 20.806 6.050 0.325 1.00 0.00 ? 35 LYS A O 14 ATOM 19046 C CB . LYS A 1 35 ? 17.805 4.987 -0.372 1.00 0.00 ? 35 LYS A CB 14 ATOM 19047 C CG . LYS A 1 35 ? 18.108 6.037 -1.428 1.00 0.00 ? 35 LYS A CG 14 ATOM 19048 C CD . LYS A 1 35 ? 17.296 7.303 -1.203 1.00 0.00 ? 35 LYS A CD 14 ATOM 19049 C CE . LYS A 1 35 ? 15.918 7.199 -1.835 1.00 0.00 ? 35 LYS A CE 14 ATOM 19050 N NZ . LYS A 1 35 ? 14.834 7.491 -0.856 1.00 0.00 ? 35 LYS A NZ 14 ATOM 19051 H H . LYS A 1 35 ? 17.764 3.383 1.620 1.00 0.00 ? 35 LYS A H 14 ATOM 19052 H HA . LYS A 1 35 ? 19.659 3.922 -0.460 1.00 0.00 ? 35 LYS A HA 14 ATOM 19053 H HB2 . LYS A 1 35 ? 17.255 4.184 -0.842 1.00 0.00 ? 35 LYS A HB2 14 ATOM 19054 H HB3 . LYS A 1 35 ? 17.185 5.439 0.388 1.00 0.00 ? 35 LYS A HB3 14 ATOM 19055 H HG2 . LYS A 1 35 ? 19.158 6.284 -1.385 1.00 0.00 ? 35 LYS A HG2 14 ATOM 19056 H HG3 . LYS A 1 35 ? 17.870 5.635 -2.401 1.00 0.00 ? 35 LYS A HG3 14 ATOM 19057 H HD2 . LYS A 1 35 ? 17.183 7.463 -0.142 1.00 0.00 ? 35 LYS A HD2 14 ATOM 19058 H HD3 . LYS A 1 35 ? 17.822 8.138 -1.641 1.00 0.00 ? 35 LYS A HD3 14 ATOM 19059 H HE2 . LYS A 1 35 ? 15.855 7.907 -2.649 1.00 0.00 ? 35 LYS A HE2 14 ATOM 19060 H HE3 . LYS A 1 35 ? 15.786 6.199 -2.219 1.00 0.00 ? 35 LYS A HE3 14 ATOM 19061 H HZ1 . LYS A 1 35 ? 15.157 8.200 -0.167 1.00 0.00 ? 35 LYS A HZ1 14 ATOM 19062 H HZ2 . LYS A 1 35 ? 13.996 7.859 -1.349 1.00 0.00 ? 35 LYS A HZ2 14 ATOM 19063 H HZ3 . LYS A 1 35 ? 14.570 6.623 -0.348 1.00 0.00 ? 35 LYS A HZ3 14 ATOM 19064 N N . GLN A 1 36 ? 19.513 5.886 2.159 1.00 0.00 ? 36 GLN A N 14 ATOM 19065 C CA . GLN A 1 36 ? 20.212 6.942 2.881 1.00 0.00 ? 36 GLN A CA 14 ATOM 19066 C C . GLN A 1 36 ? 21.589 6.468 3.335 1.00 0.00 ? 36 GLN A C 14 ATOM 19067 O O . GLN A 1 36 ? 22.521 7.263 3.459 1.00 0.00 ? 36 GLN A O 14 ATOM 19068 C CB . GLN A 1 36 ? 19.391 7.394 4.089 1.00 0.00 ? 36 GLN A CB 14 ATOM 19069 C CG . GLN A 1 36 ? 19.818 8.743 4.646 1.00 0.00 ? 36 GLN A CG 14 ATOM 19070 C CD . GLN A 1 36 ? 20.445 8.633 6.021 1.00 0.00 ? 36 GLN A CD 14 ATOM 19071 O OE1 . GLN A 1 36 ? 20.159 7.703 6.775 1.00 0.00 ? 36 GLN A OE1 14 ATOM 19072 N NE2 . GLN A 1 36 ? 21.306 9.587 6.357 1.00 0.00 ? 36 GLN A NE2 14 ATOM 19073 H H . GLN A 1 36 ? 18.759 5.430 2.590 1.00 0.00 ? 36 GLN A H 14 ATOM 19074 H HA . GLN A 1 36 ? 20.336 7.777 2.208 1.00 0.00 ? 36 GLN A HA 14 ATOM 19075 H HB2 . GLN A 1 36 ? 18.353 7.461 3.799 1.00 0.00 ? 36 GLN A HB2 14 ATOM 19076 H HB3 . GLN A 1 36 ? 19.489 6.657 4.873 1.00 0.00 ? 36 GLN A HB3 14 ATOM 19077 H HG2 . GLN A 1 36 ? 20.539 9.183 3.972 1.00 0.00 ? 36 GLN A HG2 14 ATOM 19078 H HG3 . GLN A 1 36 ? 18.950 9.382 4.711 1.00 0.00 ? 36 GLN A HG3 14 ATOM 19079 H HE21 . GLN A 1 36 ? 21.486 10.297 5.706 1.00 0.00 ? 36 GLN A HE21 14 ATOM 19080 H HE22 . GLN A 1 36 ? 21.727 9.541 7.241 1.00 0.00 ? 36 GLN A HE22 14 ATOM 19081 N N . SER A 1 37 ? 21.708 5.168 3.583 1.00 0.00 ? 37 SER A N 14 ATOM 19082 C CA . SER A 1 37 ? 22.972 4.587 4.023 1.00 0.00 ? 37 SER A CA 14 ATOM 19083 C C . SER A 1 37 ? 23.977 4.542 2.877 1.00 0.00 ? 37 SER A C 14 ATOM 19084 O O . SER A 1 37 ? 25.187 4.606 3.096 1.00 0.00 ? 37 SER A O 14 ATOM 19085 C CB . SER A 1 37 ? 22.745 3.178 4.573 1.00 0.00 ? 37 SER A CB 14 ATOM 19086 O OG . SER A 1 37 ? 23.313 3.037 5.864 1.00 0.00 ? 37 SER A OG 14 ATOM 19087 H H . SER A 1 37 ? 20.930 4.585 3.465 1.00 0.00 ? 37 SER A H 14 ATOM 19088 H HA . SER A 1 37 ? 23.368 5.212 4.809 1.00 0.00 ? 37 SER A HA 14 ATOM 19089 H HB2 . SER A 1 37 ? 21.684 2.986 4.638 1.00 0.00 ? 37 SER A HB2 14 ATOM 19090 H HB3 . SER A 1 37 ? 23.202 2.457 3.911 1.00 0.00 ? 37 SER A HB3 14 ATOM 19091 H HG . SER A 1 37 ? 22.640 2.733 6.478 1.00 0.00 ? 37 SER A HG 14 ATOM 19092 N N . GLU A 1 38 ? 23.469 4.432 1.654 1.00 0.00 ? 38 GLU A N 14 ATOM 19093 C CA . GLU A 1 38 ? 24.323 4.380 0.473 1.00 0.00 ? 38 GLU A CA 14 ATOM 19094 C C . GLU A 1 38 ? 24.980 5.732 0.217 1.00 0.00 ? 38 GLU A C 14 ATOM 19095 O O . GLU A 1 38 ? 26.046 5.809 -0.393 1.00 0.00 ? 38 GLU A O 14 ATOM 19096 C CB . GLU A 1 38 ? 23.510 3.954 -0.752 1.00 0.00 ? 38 GLU A CB 14 ATOM 19097 C CG . GLU A 1 38 ? 24.342 3.270 -1.824 1.00 0.00 ? 38 GLU A CG 14 ATOM 19098 C CD . GLU A 1 38 ? 23.553 3.008 -3.093 1.00 0.00 ? 38 GLU A CD 14 ATOM 19099 O OE1 . GLU A 1 38 ? 22.576 2.232 -3.034 1.00 0.00 ? 38 GLU A OE1 14 ATOM 19100 O OE2 . GLU A 1 38 ? 23.914 3.577 -4.144 1.00 0.00 ? 38 GLU A OE2 14 ATOM 19101 H H . GLU A 1 38 ? 22.496 4.386 1.543 1.00 0.00 ? 38 GLU A H 14 ATOM 19102 H HA . GLU A 1 38 ? 25.095 3.647 0.655 1.00 0.00 ? 38 GLU A HA 14 ATOM 19103 H HB2 . GLU A 1 38 ? 22.736 3.271 -0.435 1.00 0.00 ? 38 GLU A HB2 14 ATOM 19104 H HB3 . GLU A 1 38 ? 23.050 4.829 -1.186 1.00 0.00 ? 38 GLU A HB3 14 ATOM 19105 H HG2 . GLU A 1 38 ? 25.184 3.901 -2.068 1.00 0.00 ? 38 GLU A HG2 14 ATOM 19106 H HG3 . GLU A 1 38 ? 24.699 2.327 -1.439 1.00 0.00 ? 38 GLU A HG3 14 ATOM 19107 N N . ASP A 1 39 ? 24.337 6.796 0.689 1.00 0.00 ? 39 ASP A N 14 ATOM 19108 C CA . ASP A 1 39 ? 24.861 8.145 0.511 1.00 0.00 ? 39 ASP A CA 14 ATOM 19109 C C . ASP A 1 39 ? 25.234 8.766 1.853 1.00 0.00 ? 39 ASP A C 14 ATOM 19110 O O . ASP A 1 39 ? 25.248 9.988 2.000 1.00 0.00 ? 39 ASP A O 14 ATOM 19111 C CB . ASP A 1 39 ? 23.830 9.024 -0.202 1.00 0.00 ? 39 ASP A CB 14 ATOM 19112 C CG . ASP A 1 39 ? 24.412 9.733 -1.409 1.00 0.00 ? 39 ASP A CG 14 ATOM 19113 O OD1 . ASP A 1 39 ? 24.966 9.046 -2.292 1.00 0.00 ? 39 ASP A OD1 14 ATOM 19114 O OD2 . ASP A 1 39 ? 24.312 10.976 -1.471 1.00 0.00 ? 39 ASP A OD2 14 ATOM 19115 H H . ASP A 1 39 ? 23.492 6.670 1.167 1.00 0.00 ? 39 ASP A H 14 ATOM 19116 H HA . ASP A 1 39 ? 25.748 8.079 -0.101 1.00 0.00 ? 39 ASP A HA 14 ATOM 19117 H HB2 . ASP A 1 39 ? 23.008 8.408 -0.532 1.00 0.00 ? 39 ASP A HB2 14 ATOM 19118 H HB3 . ASP A 1 39 ? 23.463 9.769 0.489 1.00 0.00 ? 39 ASP A HB3 14 ATOM 19119 N N . ASP A 1 40 ? 25.536 7.916 2.829 1.00 0.00 ? 40 ASP A N 14 ATOM 19120 C CA . ASP A 1 40 ? 25.908 8.382 4.159 1.00 0.00 ? 40 ASP A CA 14 ATOM 19121 C C . ASP A 1 40 ? 27.403 8.199 4.401 1.00 0.00 ? 40 ASP A C 14 ATOM 19122 O O . ASP A 1 40 ? 28.141 9.172 4.560 1.00 0.00 ? 40 ASP A O 14 ATOM 19123 C CB . ASP A 1 40 ? 25.112 7.631 5.228 1.00 0.00 ? 40 ASP A CB 14 ATOM 19124 C CG . ASP A 1 40 ? 25.270 8.245 6.605 1.00 0.00 ? 40 ASP A CG 14 ATOM 19125 O OD1 . ASP A 1 40 ? 26.414 8.302 7.103 1.00 0.00 ? 40 ASP A OD1 14 ATOM 19126 O OD2 . ASP A 1 40 ? 24.249 8.671 7.186 1.00 0.00 ? 40 ASP A OD2 14 ATOM 19127 H H . ASP A 1 40 ? 25.506 6.953 2.651 1.00 0.00 ? 40 ASP A H 14 ATOM 19128 H HA . ASP A 1 40 ? 25.673 9.434 4.221 1.00 0.00 ? 40 ASP A HA 14 ATOM 19129 H HB2 . ASP A 1 40 ? 24.064 7.647 4.965 1.00 0.00 ? 40 ASP A HB2 14 ATOM 19130 H HB3 . ASP A 1 40 ? 25.452 6.607 5.269 1.00 0.00 ? 40 ASP A HB3 14 ATOM 19131 N N . ASP A 1 41 ? 27.844 6.945 4.427 1.00 0.00 ? 41 ASP A N 14 ATOM 19132 C CA . ASP A 1 41 ? 29.251 6.634 4.649 1.00 0.00 ? 41 ASP A CA 14 ATOM 19133 C C . ASP A 1 41 ? 30.090 7.012 3.433 1.00 0.00 ? 41 ASP A C 14 ATOM 19134 O O . ASP A 1 41 ? 29.827 6.468 2.340 1.00 0.00 ? 41 ASP A O 14 ATOM 19135 C CB . ASP A 1 41 ? 29.424 5.145 4.959 1.00 0.00 ? 41 ASP A CB 14 ATOM 19136 C CG . ASP A 1 41 ? 29.637 4.884 6.437 1.00 0.00 ? 41 ASP A CG 14 ATOM 19137 O OD1 . ASP A 1 41 ? 30.032 5.826 7.155 1.00 0.00 ? 41 ASP A OD1 14 ATOM 19138 O OD2 . ASP A 1 41 ? 29.410 3.736 6.875 1.00 0.00 ? 41 ASP A OD2 14 ATOM 19139 O OXT . ASP A 1 41 ? 31.004 7.851 3.583 1.00 0.00 ? 41 ASP A OXT 14 ATOM 19140 H H . ASP A 1 41 ? 27.207 6.212 4.294 1.00 0.00 ? 41 ASP A H 14 ATOM 19141 H HA . ASP A 1 41 ? 29.588 7.210 5.497 1.00 0.00 ? 41 ASP A HA 14 ATOM 19142 H HB2 . ASP A 1 41 ? 28.539 4.614 4.643 1.00 0.00 ? 41 ASP A HB2 14 ATOM 19143 H HB3 . ASP A 1 41 ? 30.278 4.768 4.417 1.00 0.00 ? 41 ASP A HB3 14 ATOM 19144 N N . ALA B 1 1 ? 33.240 2.726 -9.011 1.00 0.00 ? 1 ALA B N 14 ATOM 19145 C CA . ALA B 1 1 ? 32.199 2.319 -8.031 1.00 0.00 ? 1 ALA B CA 14 ATOM 19146 C C . ALA B 1 1 ? 32.641 1.093 -7.242 1.00 0.00 ? 1 ALA B C 14 ATOM 19147 O O . ALA B 1 1 ? 33.734 0.567 -7.451 1.00 0.00 ? 1 ALA B O 14 ATOM 19148 C CB . ALA B 1 1 ? 30.885 2.040 -8.745 1.00 0.00 ? 1 ALA B CB 14 ATOM 19149 H H1 . ALA B 1 1 ? 34.165 2.457 -8.620 1.00 0.00 ? 1 ALA B H1 14 ATOM 19150 H H2 . ALA B 1 1 ? 33.048 2.226 -9.902 1.00 0.00 ? 1 ALA B H2 14 ATOM 19151 H H3 . ALA B 1 1 ? 33.173 3.757 -9.135 1.00 0.00 ? 1 ALA B H3 14 ATOM 19152 H HA . ALA B 1 1 ? 32.039 3.138 -7.345 1.00 0.00 ? 1 ALA B HA 14 ATOM 19153 H HB1 . ALA B 1 1 ? 30.083 2.559 -8.240 1.00 0.00 ? 1 ALA B HB1 14 ATOM 19154 H HB2 . ALA B 1 1 ? 30.688 0.978 -8.736 1.00 0.00 ? 1 ALA B HB2 14 ATOM 19155 H HB3 . ALA B 1 1 ? 30.950 2.386 -9.766 1.00 0.00 ? 1 ALA B HB3 14 ATOM 19156 N N . LEU B 1 2 ? 31.784 0.641 -6.331 1.00 0.00 ? 2 LEU B N 14 ATOM 19157 C CA . LEU B 1 2 ? 32.087 -0.525 -5.508 1.00 0.00 ? 2 LEU B CA 14 ATOM 19158 C C . LEU B 1 2 ? 30.931 -0.840 -4.565 1.00 0.00 ? 2 LEU B C 14 ATOM 19159 O O . LEU B 1 2 ? 30.248 0.062 -4.080 1.00 0.00 ? 2 LEU B O 14 ATOM 19160 C CB . LEU B 1 2 ? 33.368 -0.289 -4.706 1.00 0.00 ? 2 LEU B CB 14 ATOM 19161 C CG . LEU B 1 2 ? 33.313 0.888 -3.731 1.00 0.00 ? 2 LEU B CG 14 ATOM 19162 C CD1 . LEU B 1 2 ? 33.905 0.496 -2.385 1.00 0.00 ? 2 LEU B CD1 14 ATOM 19163 C CD2 . LEU B 1 2 ? 34.046 2.090 -4.307 1.00 0.00 ? 2 LEU B CD2 14 ATOM 19164 H H . LEU B 1 2 ? 30.929 1.102 -6.210 1.00 0.00 ? 2 LEU B H 14 ATOM 19165 H HA . LEU B 1 2 ? 32.237 -1.366 -6.169 1.00 0.00 ? 2 LEU B HA 14 ATOM 19166 H HB2 . LEU B 1 2 ? 33.585 -1.186 -4.143 1.00 0.00 ? 2 LEU B HB2 14 ATOM 19167 H HB3 . LEU B 1 2 ? 34.176 -0.115 -5.399 1.00 0.00 ? 2 LEU B HB3 14 ATOM 19168 H HG . LEU B 1 2 ? 32.281 1.168 -3.572 1.00 0.00 ? 2 LEU B HG 14 ATOM 19169 H HD11 . LEU B 1 2 ? 34.551 -0.359 -2.513 1.00 0.00 ? 2 LEU B HD11 14 ATOM 19170 H HD12 . LEU B 1 2 ? 34.475 1.322 -1.988 1.00 0.00 ? 2 LEU B HD12 14 ATOM 19171 H HD13 . LEU B 1 2 ? 33.108 0.245 -1.701 1.00 0.00 ? 2 LEU B HD13 14 ATOM 19172 H HD21 . LEU B 1 2 ? 33.740 2.240 -5.331 1.00 0.00 ? 2 LEU B HD21 14 ATOM 19173 H HD22 . LEU B 1 2 ? 33.806 2.970 -3.727 1.00 0.00 ? 2 LEU B HD22 14 ATOM 19174 H HD23 . LEU B 1 2 ? 35.110 1.914 -4.270 1.00 0.00 ? 2 LEU B HD23 14 ATOM 19175 N N . LYS B 1 3 ? 30.718 -2.126 -4.308 1.00 0.00 ? 3 LYS B N 14 ATOM 19176 C CA . LYS B 1 3 ? 29.645 -2.561 -3.422 1.00 0.00 ? 3 LYS B CA 14 ATOM 19177 C C . LYS B 1 3 ? 28.281 -2.301 -4.051 1.00 0.00 ? 3 LYS B C 14 ATOM 19178 O O . LYS B 1 3 ? 27.765 -1.184 -4.001 1.00 0.00 ? 3 LYS B O 14 ATOM 19179 C CB . LYS B 1 3 ? 29.744 -1.839 -2.075 1.00 0.00 ? 3 LYS B CB 14 ATOM 19180 C CG . LYS B 1 3 ? 29.411 -2.725 -0.886 1.00 0.00 ? 3 LYS B CG 14 ATOM 19181 C CD . LYS B 1 3 ? 29.960 -2.147 0.409 1.00 0.00 ? 3 LYS B CD 14 ATOM 19182 C CE . LYS B 1 3 ? 30.913 -3.115 1.092 1.00 0.00 ? 3 LYS B CE 14 ATOM 19183 N NZ . LYS B 1 3 ? 31.608 -2.489 2.249 1.00 0.00 ? 3 LYS B NZ 14 ATOM 19184 H H . LYS B 1 3 ? 31.297 -2.800 -4.724 1.00 0.00 ? 3 LYS B H 14 ATOM 19185 H HA . LYS B 1 3 ? 29.757 -3.622 -3.260 1.00 0.00 ? 3 LYS B HA 14 ATOM 19186 H HB2 . LYS B 1 3 ? 30.750 -1.471 -1.952 1.00 0.00 ? 3 LYS B HB2 14 ATOM 19187 H HB3 . LYS B 1 3 ? 29.060 -1.003 -2.077 1.00 0.00 ? 3 LYS B HB3 14 ATOM 19188 H HG2 . LYS B 1 3 ? 28.338 -2.812 -0.802 1.00 0.00 ? 3 LYS B HG2 14 ATOM 19189 H HG3 . LYS B 1 3 ? 29.842 -3.703 -1.045 1.00 0.00 ? 3 LYS B HG3 14 ATOM 19190 H HD2 . LYS B 1 3 ? 30.490 -1.233 0.188 1.00 0.00 ? 3 LYS B HD2 14 ATOM 19191 H HD3 . LYS B 1 3 ? 29.137 -1.935 1.075 1.00 0.00 ? 3 LYS B HD3 14 ATOM 19192 H HE2 . LYS B 1 3 ? 30.349 -3.968 1.441 1.00 0.00 ? 3 LYS B HE2 14 ATOM 19193 H HE3 . LYS B 1 3 ? 31.650 -3.442 0.373 1.00 0.00 ? 3 LYS B HE3 14 ATOM 19194 H HZ1 . LYS B 1 3 ? 32.013 -1.573 1.968 1.00 0.00 ? 3 LYS B HZ1 14 ATOM 19195 H HZ2 . LYS B 1 3 ? 30.938 -2.334 3.029 1.00 0.00 ? 3 LYS B HZ2 14 ATOM 19196 H HZ3 . LYS B 1 3 ? 32.375 -3.107 2.583 1.00 0.00 ? 3 LYS B HZ3 14 ATOM 19197 N N . LYS B 1 4 ? 27.700 -3.340 -4.644 1.00 0.00 ? 4 LYS B N 14 ATOM 19198 C CA . LYS B 1 4 ? 26.395 -3.224 -5.283 1.00 0.00 ? 4 LYS B CA 14 ATOM 19199 C C . LYS B 1 4 ? 25.350 -4.059 -4.550 1.00 0.00 ? 4 LYS B C 14 ATOM 19200 O O . LYS B 1 4 ? 24.340 -4.456 -5.131 1.00 0.00 ? 4 LYS B O 14 ATOM 19201 C CB . LYS B 1 4 ? 26.479 -3.662 -6.747 1.00 0.00 ? 4 LYS B CB 14 ATOM 19202 C CG . LYS B 1 4 ? 27.446 -2.832 -7.575 1.00 0.00 ? 4 LYS B CG 14 ATOM 19203 C CD . LYS B 1 4 ? 26.810 -2.372 -8.878 1.00 0.00 ? 4 LYS B CD 14 ATOM 19204 C CE . LYS B 1 4 ? 27.622 -1.266 -9.534 1.00 0.00 ? 4 LYS B CE 14 ATOM 19205 N NZ . LYS B 1 4 ? 26.873 -0.611 -10.641 1.00 0.00 ? 4 LYS B NZ 14 ATOM 19206 H H . LYS B 1 4 ? 28.160 -4.205 -4.651 1.00 0.00 ? 4 LYS B H 14 ATOM 19207 H HA . LYS B 1 4 ? 26.099 -2.186 -5.245 1.00 0.00 ? 4 LYS B HA 14 ATOM 19208 H HB2 . LYS B 1 4 ? 26.800 -4.692 -6.783 1.00 0.00 ? 4 LYS B HB2 14 ATOM 19209 H HB3 . LYS B 1 4 ? 25.498 -3.584 -7.191 1.00 0.00 ? 4 LYS B HB3 14 ATOM 19210 H HG2 . LYS B 1 4 ? 27.742 -1.964 -7.004 1.00 0.00 ? 4 LYS B HG2 14 ATOM 19211 H HG3 . LYS B 1 4 ? 28.316 -3.431 -7.802 1.00 0.00 ? 4 LYS B HG3 14 ATOM 19212 H HD2 . LYS B 1 4 ? 26.750 -3.210 -9.554 1.00 0.00 ? 4 LYS B HD2 14 ATOM 19213 H HD3 . LYS B 1 4 ? 25.816 -2.002 -8.670 1.00 0.00 ? 4 LYS B HD3 14 ATOM 19214 H HE2 . LYS B 1 4 ? 27.866 -0.526 -8.788 1.00 0.00 ? 4 LYS B HE2 14 ATOM 19215 H HE3 . LYS B 1 4 ? 28.533 -1.693 -9.928 1.00 0.00 ? 4 LYS B HE3 14 ATOM 19216 H HZ1 . LYS B 1 4 ? 25.895 -0.420 -10.347 1.00 0.00 ? 4 LYS B HZ1 14 ATOM 19217 H HZ2 . LYS B 1 4 ? 27.328 0.289 -10.897 1.00 0.00 ? 4 LYS B HZ2 14 ATOM 19218 H HZ3 . LYS B 1 4 ? 26.859 -1.229 -11.478 1.00 0.00 ? 4 LYS B HZ3 14 ATOM 19219 N N . HIS B 1 5 ? 25.599 -4.320 -3.270 1.00 0.00 ? 5 HIS B N 14 ATOM 19220 C CA . HIS B 1 5 ? 24.677 -5.106 -2.459 1.00 0.00 ? 5 HIS B CA 14 ATOM 19221 C C . HIS B 1 5 ? 23.491 -4.258 -2.014 1.00 0.00 ? 5 HIS B C 14 ATOM 19222 O O . HIS B 1 5 ? 22.351 -4.729 -1.981 1.00 0.00 ? 5 HIS B O 14 ATOM 19223 C CB . HIS B 1 5 ? 25.398 -5.677 -1.237 1.00 0.00 ? 5 HIS B CB 14 ATOM 19224 C CG . HIS B 1 5 ? 26.799 -6.119 -1.522 1.00 0.00 ? 5 HIS B CG 14 ATOM 19225 N ND1 . HIS B 1 5 ? 27.212 -6.564 -2.761 1.00 0.00 ? 5 HIS B ND1 14 ATOM 19226 C CD2 . HIS B 1 5 ? 27.889 -6.183 -0.720 1.00 0.00 ? 5 HIS B CD2 14 ATOM 19227 C CE1 . HIS B 1 5 ? 28.493 -6.883 -2.708 1.00 0.00 ? 5 HIS B CE1 14 ATOM 19228 N NE2 . HIS B 1 5 ? 28.927 -6.660 -1.482 1.00 0.00 ? 5 HIS B NE2 14 ATOM 19229 H H . HIS B 1 5 ? 26.419 -3.975 -2.861 1.00 0.00 ? 5 HIS B H 14 ATOM 19230 H HA . HIS B 1 5 ? 24.313 -5.922 -3.066 1.00 0.00 ? 5 HIS B HA 14 ATOM 19231 H HB2 . HIS B 1 5 ? 25.438 -4.922 -0.466 1.00 0.00 ? 5 HIS B HB2 14 ATOM 19232 H HB3 . HIS B 1 5 ? 24.847 -6.531 -0.869 1.00 0.00 ? 5 HIS B HB3 14 ATOM 19233 H HD1 . HIS B 1 5 ? 26.649 -6.636 -3.560 1.00 0.00 ? 5 HIS B HD1 14 ATOM 19234 H HD2 . HIS B 1 5 ? 27.933 -5.908 0.325 1.00 0.00 ? 5 HIS B HD2 14 ATOM 19235 H HE1 . HIS B 1 5 ? 29.084 -7.260 -3.530 1.00 0.00 ? 5 HIS B HE1 14 ATOM 19236 H HE2 . HIS B 1 5 ? 29.843 -6.812 -1.169 1.00 0.00 ? 5 HIS B HE2 14 ATOM 19237 N N . HIS B 1 6 ? 23.764 -3.001 -1.677 1.00 0.00 ? 6 HIS B N 14 ATOM 19238 C CA . HIS B 1 6 ? 22.718 -2.087 -1.240 1.00 0.00 ? 6 HIS B CA 14 ATOM 19239 C C . HIS B 1 6 ? 21.687 -1.893 -2.340 1.00 0.00 ? 6 HIS B C 14 ATOM 19240 O O . HIS B 1 6 ? 20.501 -2.112 -2.126 1.00 0.00 ? 6 HIS B O 14 ATOM 19241 C CB . HIS B 1 6 ? 23.317 -0.740 -0.833 1.00 0.00 ? 6 HIS B CB 14 ATOM 19242 C CG . HIS B 1 6 ? 24.144 -0.803 0.412 1.00 0.00 ? 6 HIS B CG 14 ATOM 19243 N ND1 . HIS B 1 6 ? 24.431 -1.983 1.067 1.00 0.00 ? 6 HIS B ND1 14 ATOM 19244 C CD2 . HIS B 1 6 ? 24.750 0.177 1.125 1.00 0.00 ? 6 HIS B CD2 14 ATOM 19245 C CE1 . HIS B 1 6 ? 25.176 -1.727 2.127 1.00 0.00 ? 6 HIS B CE1 14 ATOM 19246 N NE2 . HIS B 1 6 ? 25.383 -0.425 2.185 1.00 0.00 ? 6 HIS B NE2 14 ATOM 19247 H H . HIS B 1 6 ? 24.688 -2.681 -1.728 1.00 0.00 ? 6 HIS B H 14 ATOM 19248 H HA . HIS B 1 6 ? 22.228 -2.530 -0.384 1.00 0.00 ? 6 HIS B HA 14 ATOM 19249 H HB2 . HIS B 1 6 ? 23.947 -0.379 -1.632 1.00 0.00 ? 6 HIS B HB2 14 ATOM 19250 H HB3 . HIS B 1 6 ? 22.516 -0.033 -0.667 1.00 0.00 ? 6 HIS B HB3 14 ATOM 19251 H HD1 . HIS B 1 6 ? 24.133 -2.876 0.794 1.00 0.00 ? 6 HIS B HD1 14 ATOM 19252 H HD2 . HIS B 1 6 ? 24.737 1.234 0.902 1.00 0.00 ? 6 HIS B HD2 14 ATOM 19253 H HE1 . HIS B 1 6 ? 25.552 -2.459 2.828 1.00 0.00 ? 6 HIS B HE1 14 ATOM 19254 H HE2 . HIS B 1 6 ? 25.906 0.036 2.874 1.00 0.00 ? 6 HIS B HE2 14 ATOM 19255 N N . GLU B 1 7 ? 22.148 -1.488 -3.518 1.00 0.00 ? 7 GLU B N 14 ATOM 19256 C CA . GLU B 1 7 ? 21.261 -1.278 -4.655 1.00 0.00 ? 7 GLU B CA 14 ATOM 19257 C C . GLU B 1 7 ? 20.398 -2.513 -4.899 1.00 0.00 ? 7 GLU B C 14 ATOM 19258 O O . GLU B 1 7 ? 19.317 -2.420 -5.481 1.00 0.00 ? 7 GLU B O 14 ATOM 19259 C CB . GLU B 1 7 ? 22.074 -0.951 -5.908 1.00 0.00 ? 7 GLU B CB 14 ATOM 19260 C CG . GLU B 1 7 ? 21.684 0.366 -6.559 1.00 0.00 ? 7 GLU B CG 14 ATOM 19261 C CD . GLU B 1 7 ? 22.866 1.074 -7.193 1.00 0.00 ? 7 GLU B CD 14 ATOM 19262 O OE1 . GLU B 1 7 ? 23.598 1.776 -6.464 1.00 0.00 ? 7 GLU B OE1 14 ATOM 19263 O OE2 . GLU B 1 7 ? 23.059 0.926 -8.419 1.00 0.00 ? 7 GLU B OE2 14 ATOM 19264 H H . GLU B 1 7 ? 23.106 -1.331 -3.627 1.00 0.00 ? 7 GLU B H 14 ATOM 19265 H HA . GLU B 1 7 ? 20.619 -0.442 -4.424 1.00 0.00 ? 7 GLU B HA 14 ATOM 19266 H HB2 . GLU B 1 7 ? 23.119 -0.902 -5.644 1.00 0.00 ? 7 GLU B HB2 14 ATOM 19267 H HB3 . GLU B 1 7 ? 21.930 -1.741 -6.631 1.00 0.00 ? 7 GLU B HB3 14 ATOM 19268 H HG2 . GLU B 1 7 ? 20.948 0.171 -7.326 1.00 0.00 ? 7 GLU B HG2 14 ATOM 19269 H HG3 . GLU B 1 7 ? 21.257 1.012 -5.807 1.00 0.00 ? 7 GLU B HG3 14 ATOM 19270 N N . ASN B 1 8 ? 20.880 -3.671 -4.451 1.00 0.00 ? 8 ASN B N 14 ATOM 19271 C CA . ASN B 1 8 ? 20.149 -4.923 -4.617 1.00 0.00 ? 8 ASN B CA 14 ATOM 19272 C C . ASN B 1 8 ? 18.899 -4.933 -3.746 1.00 0.00 ? 8 ASN B C 14 ATOM 19273 O O . ASN B 1 8 ? 17.776 -5.005 -4.250 1.00 0.00 ? 8 ASN B O 14 ATOM 19274 C CB . ASN B 1 8 ? 21.043 -6.114 -4.266 1.00 0.00 ? 8 ASN B CB 14 ATOM 19275 C CG . ASN B 1 8 ? 20.936 -7.236 -5.281 1.00 0.00 ? 8 ASN B CG 14 ATOM 19276 O OD1 . ASN B 1 8 ? 20.969 -7.001 -6.488 1.00 0.00 ? 8 ASN B OD1 14 ATOM 19277 N ND2 . ASN B 1 8 ? 20.807 -8.464 -4.793 1.00 0.00 ? 8 ASN B ND2 14 ATOM 19278 H H . ASN B 1 8 ? 21.747 -3.682 -3.993 1.00 0.00 ? 8 ASN B H 14 ATOM 19279 H HA . ASN B 1 8 ? 19.851 -4.997 -5.653 1.00 0.00 ? 8 ASN B HA 14 ATOM 19280 H HB2 . ASN B 1 8 ? 22.071 -5.785 -4.227 1.00 0.00 ? 8 ASN B HB2 14 ATOM 19281 H HB3 . ASN B 1 8 ? 20.755 -6.498 -3.299 1.00 0.00 ? 8 ASN B HB3 14 ATOM 19282 H HD21 . ASN B 1 8 ? 20.789 -8.576 -3.819 1.00 0.00 ? 8 ASN B HD21 14 ATOM 19283 H HD22 . ASN B 1 8 ? 20.736 -9.209 -5.427 1.00 0.00 ? 8 ASN B HD22 14 ATOM 19284 N N . GLU B 1 9 ? 19.097 -4.836 -2.433 1.00 0.00 ? 9 GLU B N 14 ATOM 19285 C CA . GLU B 1 9 ? 17.975 -4.812 -1.500 1.00 0.00 ? 9 GLU B CA 14 ATOM 19286 C C . GLU B 1 9 ? 17.193 -3.501 -1.623 1.00 0.00 ? 9 GLU B C 14 ATOM 19287 O O . GLU B 1 9 ? 16.113 -3.354 -1.053 1.00 0.00 ? 9 GLU B O 14 ATOM 19288 C CB . GLU B 1 9 ? 18.473 -4.989 -0.065 1.00 0.00 ? 9 GLU B CB 14 ATOM 19289 C CG . GLU B 1 9 ? 19.297 -6.250 0.141 1.00 0.00 ? 9 GLU B CG 14 ATOM 19290 C CD . GLU B 1 9 ? 20.549 -6.001 0.959 1.00 0.00 ? 9 GLU B CD 14 ATOM 19291 O OE1 . GLU B 1 9 ? 20.572 -5.015 1.725 1.00 0.00 ? 9 GLU B OE1 14 ATOM 19292 O OE2 . GLU B 1 9 ? 21.507 -6.793 0.833 1.00 0.00 ? 9 GLU B OE2 14 ATOM 19293 H H . GLU B 1 9 ? 20.015 -4.761 -2.086 1.00 0.00 ? 9 GLU B H 14 ATOM 19294 H HA . GLU B 1 9 ? 17.318 -5.633 -1.749 1.00 0.00 ? 9 GLU B HA 14 ATOM 19295 H HB2 . GLU B 1 9 ? 19.085 -4.139 0.199 1.00 0.00 ? 9 GLU B HB2 14 ATOM 19296 H HB3 . GLU B 1 9 ? 17.622 -5.029 0.598 1.00 0.00 ? 9 GLU B HB3 14 ATOM 19297 H HG2 . GLU B 1 9 ? 18.691 -6.981 0.654 1.00 0.00 ? 9 GLU B HG2 14 ATOM 19298 H HG3 . GLU B 1 9 ? 19.585 -6.638 -0.825 1.00 0.00 ? 9 GLU B HG3 14 ATOM 19299 N N . ILE B 1 10 ? 17.748 -2.553 -2.378 1.00 0.00 ? 10 ILE B N 14 ATOM 19300 C CA . ILE B 1 10 ? 17.123 -1.260 -2.589 1.00 0.00 ? 10 ILE B CA 14 ATOM 19301 C C . ILE B 1 10 ? 16.222 -1.311 -3.820 1.00 0.00 ? 10 ILE B C 14 ATOM 19302 O O . ILE B 1 10 ? 15.236 -0.580 -3.913 1.00 0.00 ? 10 ILE B O 14 ATOM 19303 C CB . ILE B 1 10 ? 18.209 -0.167 -2.750 1.00 0.00 ? 10 ILE B CB 14 ATOM 19304 C CG1 . ILE B 1 10 ? 18.909 0.073 -1.412 1.00 0.00 ? 10 ILE B CG1 14 ATOM 19305 C CG2 . ILE B 1 10 ? 17.636 1.137 -3.287 1.00 0.00 ? 10 ILE B CG2 14 ATOM 19306 C CD1 . ILE B 1 10 ? 20.208 0.840 -1.537 1.00 0.00 ? 10 ILE B CD1 14 ATOM 19307 H H . ILE B 1 10 ? 18.599 -2.728 -2.812 1.00 0.00 ? 10 ILE B H 14 ATOM 19308 H HA . ILE B 1 10 ? 16.524 -1.029 -1.721 1.00 0.00 ? 10 ILE B HA 14 ATOM 19309 H HB . ILE B 1 10 ? 18.938 -0.525 -3.461 1.00 0.00 ? 10 ILE B HB 14 ATOM 19310 H HG12 . ILE B 1 10 ? 18.253 0.637 -0.767 1.00 0.00 ? 10 ILE B HG12 14 ATOM 19311 H HG13 . ILE B 1 10 ? 19.129 -0.879 -0.951 1.00 0.00 ? 10 ILE B HG13 14 ATOM 19312 H HG21 . ILE B 1 10 ? 17.067 0.939 -4.182 1.00 0.00 ? 10 ILE B HG21 14 ATOM 19313 H HG22 . ILE B 1 10 ? 16.998 1.585 -2.540 1.00 0.00 ? 10 ILE B HG22 14 ATOM 19314 H HG23 . ILE B 1 10 ? 18.449 1.811 -3.519 1.00 0.00 ? 10 ILE B HG23 14 ATOM 19315 H HD11 . ILE B 1 10 ? 20.824 0.386 -2.298 1.00 0.00 ? 10 ILE B HD11 14 ATOM 19316 H HD12 . ILE B 1 10 ? 19.996 1.864 -1.810 1.00 0.00 ? 10 ILE B HD12 14 ATOM 19317 H HD13 . ILE B 1 10 ? 20.730 0.821 -0.592 1.00 0.00 ? 10 ILE B HD13 14 ATOM 19318 N N . SER B 1 11 ? 16.557 -2.194 -4.752 1.00 0.00 ? 11 SER B N 14 ATOM 19319 C CA . SER B 1 11 ? 15.766 -2.354 -5.961 1.00 0.00 ? 11 SER B CA 14 ATOM 19320 C C . SER B 1 11 ? 14.547 -3.214 -5.666 1.00 0.00 ? 11 SER B C 14 ATOM 19321 O O . SER B 1 11 ? 13.489 -3.047 -6.272 1.00 0.00 ? 11 SER B O 14 ATOM 19322 C CB . SER B 1 11 ? 16.604 -2.989 -7.072 1.00 0.00 ? 11 SER B CB 14 ATOM 19323 O OG . SER B 1 11 ? 16.634 -4.400 -6.948 1.00 0.00 ? 11 SER B OG 14 ATOM 19324 H H . SER B 1 11 ? 17.345 -2.761 -4.616 1.00 0.00 ? 11 SER B H 14 ATOM 19325 H HA . SER B 1 11 ? 15.436 -1.376 -6.277 1.00 0.00 ? 11 SER B HA 14 ATOM 19326 H HB2 . SER B 1 11 ? 16.180 -2.734 -8.032 1.00 0.00 ? 11 SER B HB2 14 ATOM 19327 H HB3 . SER B 1 11 ? 17.616 -2.614 -7.016 1.00 0.00 ? 11 SER B HB3 14 ATOM 19328 H HG . SER B 1 11 ? 17.082 -4.780 -7.708 1.00 0.00 ? 11 SER B HG 14 ATOM 19329 N N . HIS B 1 12 ? 14.704 -4.130 -4.713 1.00 0.00 ? 12 HIS B N 14 ATOM 19330 C CA . HIS B 1 12 ? 13.616 -5.009 -4.319 1.00 0.00 ? 12 HIS B CA 14 ATOM 19331 C C . HIS B 1 12 ? 12.639 -4.250 -3.415 1.00 0.00 ? 12 HIS B C 14 ATOM 19332 O O . HIS B 1 12 ? 11.429 -4.257 -3.655 1.00 0.00 ? 12 HIS B O 14 ATOM 19333 C CB . HIS B 1 12 ? 14.194 -6.276 -3.650 1.00 0.00 ? 12 HIS B CB 14 ATOM 19334 C CG . HIS B 1 12 ? 13.468 -6.759 -2.429 1.00 0.00 ? 12 HIS B CG 14 ATOM 19335 N ND1 . HIS B 1 12 ? 12.373 -7.596 -2.479 1.00 0.00 ? 12 HIS B ND1 14 ATOM 19336 C CD2 . HIS B 1 12 ? 13.696 -6.517 -1.121 1.00 0.00 ? 12 HIS B CD2 14 ATOM 19337 C CE1 . HIS B 1 12 ? 11.958 -7.847 -1.250 1.00 0.00 ? 12 HIS B CE1 14 ATOM 19338 N NE2 . HIS B 1 12 ? 12.745 -7.203 -0.408 1.00 0.00 ? 12 HIS B NE2 14 ATOM 19339 H H . HIS B 1 12 ? 15.569 -4.208 -4.255 1.00 0.00 ? 12 HIS B H 14 ATOM 19340 H HA . HIS B 1 12 ? 13.092 -5.298 -5.219 1.00 0.00 ? 12 HIS B HA 14 ATOM 19341 H HB2 . HIS B 1 12 ? 14.184 -7.081 -4.368 1.00 0.00 ? 12 HIS B HB2 14 ATOM 19342 H HB3 . HIS B 1 12 ? 15.219 -6.078 -3.366 1.00 0.00 ? 12 HIS B HB3 14 ATOM 19343 H HD1 . HIS B 1 12 ? 11.961 -7.953 -3.294 1.00 0.00 ? 12 HIS B HD1 14 ATOM 19344 H HD2 . HIS B 1 12 ? 14.480 -5.891 -0.715 1.00 0.00 ? 12 HIS B HD2 14 ATOM 19345 H HE1 . HIS B 1 12 ? 11.120 -8.472 -0.980 1.00 0.00 ? 12 HIS B HE1 14 ATOM 19346 H HE2 . HIS B 1 12 ? 12.661 -7.216 0.569 1.00 0.00 ? 12 HIS B HE2 14 ATOM 19347 N N . HIS B 1 13 ? 13.163 -3.573 -2.392 1.00 0.00 ? 13 HIS B N 14 ATOM 19348 C CA . HIS B 1 13 ? 12.309 -2.804 -1.496 1.00 0.00 ? 13 HIS B CA 14 ATOM 19349 C C . HIS B 1 13 ? 11.686 -1.634 -2.246 1.00 0.00 ? 13 HIS B C 14 ATOM 19350 O O . HIS B 1 13 ? 10.620 -1.150 -1.877 1.00 0.00 ? 13 HIS B O 14 ATOM 19351 C CB . HIS B 1 13 ? 13.090 -2.269 -0.297 1.00 0.00 ? 13 HIS B CB 14 ATOM 19352 C CG . HIS B 1 13 ? 13.703 -3.323 0.562 1.00 0.00 ? 13 HIS B CG 14 ATOM 19353 N ND1 . HIS B 1 13 ? 13.141 -4.567 0.759 1.00 0.00 ? 13 HIS B ND1 14 ATOM 19354 C CD2 . HIS B 1 13 ? 14.838 -3.303 1.291 1.00 0.00 ? 13 HIS B CD2 14 ATOM 19355 C CE1 . HIS B 1 13 ? 13.908 -5.268 1.576 1.00 0.00 ? 13 HIS B CE1 14 ATOM 19356 N NE2 . HIS B 1 13 ? 14.945 -4.523 1.912 1.00 0.00 ? 13 HIS B NE2 14 ATOM 19357 H H . HIS B 1 13 ? 14.135 -3.580 -2.248 1.00 0.00 ? 13 HIS B H 14 ATOM 19358 H HA . HIS B 1 13 ? 11.522 -3.454 -1.145 1.00 0.00 ? 13 HIS B HA 14 ATOM 19359 H HB2 . HIS B 1 13 ? 13.884 -1.629 -0.649 1.00 0.00 ? 13 HIS B HB2 14 ATOM 19360 H HB3 . HIS B 1 13 ? 12.419 -1.692 0.323 1.00 0.00 ? 13 HIS B HB3 14 ATOM 19361 H HD1 . HIS B 1 13 ? 12.305 -4.887 0.360 1.00 0.00 ? 13 HIS B HD1 14 ATOM 19362 H HD2 . HIS B 1 13 ? 15.528 -2.476 1.370 1.00 0.00 ? 13 HIS B HD2 14 ATOM 19363 H HE1 . HIS B 1 13 ? 13.721 -6.278 1.910 1.00 0.00 ? 13 HIS B HE1 14 ATOM 19364 H HE2 . HIS B 1 13 ? 15.673 -4.799 2.509 1.00 0.00 ? 13 HIS B HE2 14 ATOM 19365 N N . ALA B 1 14 ? 12.359 -1.186 -3.304 1.00 0.00 ? 14 ALA B N 14 ATOM 19366 C CA . ALA B 1 14 ? 11.865 -0.077 -4.105 1.00 0.00 ? 14 ALA B CA 14 ATOM 19367 C C . ALA B 1 14 ? 10.608 -0.488 -4.855 1.00 0.00 ? 14 ALA B C 14 ATOM 19368 O O . ALA B 1 14 ? 9.602 0.221 -4.842 1.00 0.00 ? 14 ALA B O 14 ATOM 19369 C CB . ALA B 1 14 ? 12.936 0.396 -5.078 1.00 0.00 ? 14 ALA B CB 14 ATOM 19370 H H . ALA B 1 14 ? 13.207 -1.613 -3.551 1.00 0.00 ? 14 ALA B H 14 ATOM 19371 H HA . ALA B 1 14 ? 11.627 0.740 -3.439 1.00 0.00 ? 14 ALA B HA 14 ATOM 19372 H HB1 . ALA B 1 14 ? 13.568 -0.437 -5.350 1.00 0.00 ? 14 ALA B HB1 14 ATOM 19373 H HB2 . ALA B 1 14 ? 13.534 1.164 -4.609 1.00 0.00 ? 14 ALA B HB2 14 ATOM 19374 H HB3 . ALA B 1 14 ? 12.466 0.796 -5.964 1.00 0.00 ? 14 ALA B HB3 14 ATOM 19375 N N . LYS B 1 15 ? 10.668 -1.651 -5.495 1.00 0.00 ? 15 LYS B N 14 ATOM 19376 C CA . LYS B 1 15 ? 9.529 -2.170 -6.235 1.00 0.00 ? 15 LYS B CA 14 ATOM 19377 C C . LYS B 1 15 ? 8.426 -2.623 -5.280 1.00 0.00 ? 15 LYS B C 14 ATOM 19378 O O . LYS B 1 15 ? 7.277 -2.795 -5.685 1.00 0.00 ? 15 LYS B O 14 ATOM 19379 C CB . LYS B 1 15 ? 9.960 -3.337 -7.125 1.00 0.00 ? 15 LYS B CB 14 ATOM 19380 C CG . LYS B 1 15 ? 9.612 -3.145 -8.592 1.00 0.00 ? 15 LYS B CG 14 ATOM 19381 C CD . LYS B 1 15 ? 9.878 -4.405 -9.398 1.00 0.00 ? 15 LYS B CD 14 ATOM 19382 C CE . LYS B 1 15 ? 9.437 -4.246 -10.844 1.00 0.00 ? 15 LYS B CE 14 ATOM 19383 N NZ . LYS B 1 15 ? 10.539 -3.744 -11.709 1.00 0.00 ? 15 LYS B NZ 14 ATOM 19384 H H . LYS B 1 15 ? 11.497 -2.177 -5.457 1.00 0.00 ? 15 LYS B H 14 ATOM 19385 H HA . LYS B 1 15 ? 9.146 -1.375 -6.858 1.00 0.00 ? 15 LYS B HA 14 ATOM 19386 H HB2 . LYS B 1 15 ? 11.030 -3.460 -7.044 1.00 0.00 ? 15 LYS B HB2 14 ATOM 19387 H HB3 . LYS B 1 15 ? 9.477 -4.238 -6.778 1.00 0.00 ? 15 LYS B HB3 14 ATOM 19388 H HG2 . LYS B 1 15 ? 8.565 -2.892 -8.673 1.00 0.00 ? 15 LYS B HG2 14 ATOM 19389 H HG3 . LYS B 1 15 ? 10.211 -2.339 -8.992 1.00 0.00 ? 15 LYS B HG3 14 ATOM 19390 H HD2 . LYS B 1 15 ? 10.936 -4.617 -9.377 1.00 0.00 ? 15 LYS B HD2 14 ATOM 19391 H HD3 . LYS B 1 15 ? 9.336 -5.227 -8.953 1.00 0.00 ? 15 LYS B HD3 14 ATOM 19392 H HE2 . LYS B 1 15 ? 9.109 -5.206 -11.214 1.00 0.00 ? 15 LYS B HE2 14 ATOM 19393 H HE3 . LYS B 1 15 ? 8.614 -3.547 -10.880 1.00 0.00 ? 15 LYS B HE3 14 ATOM 19394 H HZ1 . LYS B 1 15 ? 10.874 -2.822 -11.362 1.00 0.00 ? 15 LYS B HZ1 14 ATOM 19395 H HZ2 . LYS B 1 15 ? 11.334 -4.415 -11.703 1.00 0.00 ? 15 LYS B HZ2 14 ATOM 19396 H HZ3 . LYS B 1 15 ? 10.203 -3.631 -12.687 1.00 0.00 ? 15 LYS B HZ3 14 ATOM 19397 N N . GLU B 1 16 ? 8.781 -2.820 -4.009 1.00 0.00 ? 16 GLU B N 14 ATOM 19398 C CA . GLU B 1 16 ? 7.816 -3.255 -3.007 1.00 0.00 ? 16 GLU B CA 14 ATOM 19399 C C . GLU B 1 16 ? 7.025 -2.076 -2.444 1.00 0.00 ? 16 GLU B C 14 ATOM 19400 O O . GLU B 1 16 ? 5.846 -2.214 -2.125 1.00 0.00 ? 16 GLU B O 14 ATOM 19401 C CB . GLU B 1 16 ? 8.527 -3.996 -1.872 1.00 0.00 ? 16 GLU B CB 14 ATOM 19402 C CG . GLU B 1 16 ? 9.033 -5.373 -2.268 1.00 0.00 ? 16 GLU B CG 14 ATOM 19403 C CD . GLU B 1 16 ? 7.940 -6.424 -2.242 1.00 0.00 ? 16 GLU B CD 14 ATOM 19404 O OE1 . GLU B 1 16 ? 7.729 -7.036 -1.175 1.00 0.00 ? 16 GLU B OE1 14 ATOM 19405 O OE2 . GLU B 1 16 ? 7.297 -6.636 -3.293 1.00 0.00 ? 16 GLU B OE2 14 ATOM 19406 H H . GLU B 1 16 ? 9.713 -2.675 -3.741 1.00 0.00 ? 16 GLU B H 14 ATOM 19407 H HA . GLU B 1 16 ? 7.128 -3.932 -3.489 1.00 0.00 ? 16 GLU B HA 14 ATOM 19408 H HB2 . GLU B 1 16 ? 9.372 -3.406 -1.547 1.00 0.00 ? 16 GLU B HB2 14 ATOM 19409 H HB3 . GLU B 1 16 ? 7.840 -4.111 -1.047 1.00 0.00 ? 16 GLU B HB3 14 ATOM 19410 H HG2 . GLU B 1 16 ? 9.438 -5.321 -3.267 1.00 0.00 ? 16 GLU B HG2 14 ATOM 19411 H HG3 . GLU B 1 16 ? 9.811 -5.668 -1.579 1.00 0.00 ? 16 GLU B HG3 14 ATOM 19412 N N . ILE B 1 17 ? 7.673 -0.919 -2.326 1.00 0.00 ? 17 ILE B N 14 ATOM 19413 C CA . ILE B 1 17 ? 7.005 0.268 -1.806 1.00 0.00 ? 17 ILE B CA 14 ATOM 19414 C C . ILE B 1 17 ? 6.173 0.934 -2.894 1.00 0.00 ? 17 ILE B C 14 ATOM 19415 O O . ILE B 1 17 ? 5.132 1.531 -2.618 1.00 0.00 ? 17 ILE B O 14 ATOM 19416 C CB . ILE B 1 17 ? 8.016 1.282 -1.231 1.00 0.00 ? 17 ILE B CB 14 ATOM 19417 C CG1 . ILE B 1 17 ? 7.293 2.537 -0.720 1.00 0.00 ? 17 ILE B CG1 14 ATOM 19418 C CG2 . ILE B 1 17 ? 9.068 1.639 -2.273 1.00 0.00 ? 17 ILE B CG2 14 ATOM 19419 C CD1 . ILE B 1 17 ? 6.922 3.528 -1.806 1.00 0.00 ? 17 ILE B CD1 14 ATOM 19420 H H . ILE B 1 17 ? 8.615 -0.860 -2.598 1.00 0.00 ? 17 ILE B H 14 ATOM 19421 H HA . ILE B 1 17 ? 6.344 -0.043 -1.009 1.00 0.00 ? 17 ILE B HA 14 ATOM 19422 H HB . ILE B 1 17 ? 8.522 0.810 -0.401 1.00 0.00 ? 17 ILE B HB 14 ATOM 19423 H HG12 . ILE B 1 17 ? 6.382 2.239 -0.223 1.00 0.00 ? 17 ILE B HG12 14 ATOM 19424 H HG13 . ILE B 1 17 ? 7.931 3.045 -0.012 1.00 0.00 ? 17 ILE B HG13 14 ATOM 19425 H HG21 . ILE B 1 17 ? 8.685 1.423 -3.259 1.00 0.00 ? 17 ILE B HG21 14 ATOM 19426 H HG22 . ILE B 1 17 ? 9.304 2.690 -2.200 1.00 0.00 ? 17 ILE B HG22 14 ATOM 19427 H HG23 . ILE B 1 17 ? 9.961 1.055 -2.096 1.00 0.00 ? 17 ILE B HG23 14 ATOM 19428 H HD11 . ILE B 1 17 ? 7.211 3.135 -2.768 1.00 0.00 ? 17 ILE B HD11 14 ATOM 19429 H HD12 . ILE B 1 17 ? 5.855 3.694 -1.791 1.00 0.00 ? 17 ILE B HD12 14 ATOM 19430 H HD13 . ILE B 1 17 ? 7.434 4.463 -1.630 1.00 0.00 ? 17 ILE B HD13 14 ATOM 19431 N N . GLU B 1 18 ? 6.631 0.813 -4.135 1.00 0.00 ? 18 GLU B N 14 ATOM 19432 C CA . GLU B 1 18 ? 5.921 1.391 -5.267 1.00 0.00 ? 18 GLU B CA 14 ATOM 19433 C C . GLU B 1 18 ? 4.791 0.469 -5.709 1.00 0.00 ? 18 GLU B C 14 ATOM 19434 O O . GLU B 1 18 ? 3.718 0.928 -6.104 1.00 0.00 ? 18 GLU B O 14 ATOM 19435 C CB . GLU B 1 18 ? 6.883 1.640 -6.432 1.00 0.00 ? 18 GLU B CB 14 ATOM 19436 C CG . GLU B 1 18 ? 6.541 2.874 -7.250 1.00 0.00 ? 18 GLU B CG 14 ATOM 19437 C CD . GLU B 1 18 ? 7.413 3.015 -8.482 1.00 0.00 ? 18 GLU B CD 14 ATOM 19438 O OE1 . GLU B 1 18 ? 8.576 3.450 -8.340 1.00 0.00 ? 18 GLU B OE1 14 ATOM 19439 O OE2 . GLU B 1 18 ? 6.934 2.692 -9.589 1.00 0.00 ? 18 GLU B OE2 14 ATOM 19440 H H . GLU B 1 18 ? 7.461 0.316 -4.294 1.00 0.00 ? 18 GLU B H 14 ATOM 19441 H HA . GLU B 1 18 ? 5.499 2.333 -4.950 1.00 0.00 ? 18 GLU B HA 14 ATOM 19442 H HB2 . GLU B 1 18 ? 7.882 1.760 -6.039 1.00 0.00 ? 18 GLU B HB2 14 ATOM 19443 H HB3 . GLU B 1 18 ? 6.864 0.782 -7.088 1.00 0.00 ? 18 GLU B HB3 14 ATOM 19444 H HG2 . GLU B 1 18 ? 5.509 2.808 -7.564 1.00 0.00 ? 18 GLU B HG2 14 ATOM 19445 H HG3 . GLU B 1 18 ? 6.673 3.749 -6.631 1.00 0.00 ? 18 GLU B HG3 14 ATOM 19446 N N . ARG B 1 19 ? 5.037 -0.835 -5.629 1.00 0.00 ? 19 ARG B N 14 ATOM 19447 C CA . ARG B 1 19 ? 4.036 -1.821 -6.011 1.00 0.00 ? 19 ARG B CA 14 ATOM 19448 C C . ARG B 1 19 ? 2.972 -1.940 -4.929 1.00 0.00 ? 19 ARG B C 14 ATOM 19449 O O . ARG B 1 19 ? 1.804 -2.202 -5.217 1.00 0.00 ? 19 ARG B O 14 ATOM 19450 C CB . ARG B 1 19 ? 4.691 -3.182 -6.253 1.00 0.00 ? 19 ARG B CB 14 ATOM 19451 C CG . ARG B 1 19 ? 3.738 -4.226 -6.813 1.00 0.00 ? 19 ARG B CG 14 ATOM 19452 C CD . ARG B 1 19 ? 3.993 -4.478 -8.290 1.00 0.00 ? 19 ARG B CD 14 ATOM 19453 N NE . ARG B 1 19 ? 3.355 -3.472 -9.134 1.00 0.00 ? 19 ARG B NE 14 ATOM 19454 C CZ . ARG B 1 19 ? 3.546 -3.384 -10.447 1.00 0.00 ? 19 ARG B CZ 14 ATOM 19455 N NH1 . ARG B 1 19 ? 4.354 -4.239 -11.060 1.00 0.00 ? 19 ARG B NH1 14 ATOM 19456 N NH2 . ARG B 1 19 ? 2.930 -2.441 -11.146 1.00 0.00 ? 19 ARG B NH2 14 ATOM 19457 H H . ARG B 1 19 ? 5.908 -1.141 -5.297 1.00 0.00 ? 19 ARG B H 14 ATOM 19458 H HA . ARG B 1 19 ? 3.569 -1.486 -6.924 1.00 0.00 ? 19 ARG B HA 14 ATOM 19459 H HB2 . ARG B 1 19 ? 5.505 -3.058 -6.952 1.00 0.00 ? 19 ARG B HB2 14 ATOM 19460 H HB3 . ARG B 1 19 ? 5.086 -3.552 -5.317 1.00 0.00 ? 19 ARG B HB3 14 ATOM 19461 H HG2 . ARG B 1 19 ? 3.874 -5.150 -6.271 1.00 0.00 ? 19 ARG B HG2 14 ATOM 19462 H HG3 . ARG B 1 19 ? 2.724 -3.877 -6.685 1.00 0.00 ? 19 ARG B HG3 14 ATOM 19463 H HD2 . ARG B 1 19 ? 5.058 -4.460 -8.467 1.00 0.00 ? 19 ARG B HD2 14 ATOM 19464 H HD3 . ARG B 1 19 ? 3.603 -5.452 -8.548 1.00 0.00 ? 19 ARG B HD3 14 ATOM 19465 H HE . ARG B 1 19 ? 2.755 -2.830 -8.701 1.00 0.00 ? 19 ARG B HE 14 ATOM 19466 H HH11 . ARG B 1 19 ? 4.819 -4.951 -10.535 1.00 0.00 ? 19 ARG B HH11 14 ATOM 19467 H HH12 . ARG B 1 19 ? 4.496 -4.172 -12.048 1.00 0.00 ? 19 ARG B HH12 14 ATOM 19468 H HH21 . ARG B 1 19 ? 2.321 -1.795 -10.688 1.00 0.00 ? 19 ARG B HH21 14 ATOM 19469 H HH22 . ARG B 1 19 ? 3.075 -2.377 -12.134 1.00 0.00 ? 19 ARG B HH22 14 ATOM 19470 N N . LEU B 1 20 ? 3.381 -1.731 -3.681 1.00 0.00 ? 20 LEU B N 14 ATOM 19471 C CA . LEU B 1 20 ? 2.459 -1.801 -2.561 1.00 0.00 ? 20 LEU B CA 14 ATOM 19472 C C . LEU B 1 20 ? 1.543 -0.587 -2.563 1.00 0.00 ? 20 LEU B C 14 ATOM 19473 O O . LEU B 1 20 ? 0.348 -0.697 -2.291 1.00 0.00 ? 20 LEU B O 14 ATOM 19474 C CB . LEU B 1 20 ? 3.229 -1.879 -1.241 1.00 0.00 ? 20 LEU B CB 14 ATOM 19475 C CG . LEU B 1 20 ? 3.734 -3.273 -0.867 1.00 0.00 ? 20 LEU B CG 14 ATOM 19476 C CD1 . LEU B 1 20 ? 4.834 -3.179 0.179 1.00 0.00 ? 20 LEU B CD1 14 ATOM 19477 C CD2 . LEU B 1 20 ? 2.588 -4.136 -0.361 1.00 0.00 ? 20 LEU B CD2 14 ATOM 19478 H H . LEU B 1 20 ? 4.323 -1.514 -3.513 1.00 0.00 ? 20 LEU B H 14 ATOM 19479 H HA . LEU B 1 20 ? 1.861 -2.693 -2.676 1.00 0.00 ? 20 LEU B HA 14 ATOM 19480 H HB2 . LEU B 1 20 ? 4.078 -1.215 -1.304 1.00 0.00 ? 20 LEU B HB2 14 ATOM 19481 H HB3 . LEU B 1 20 ? 2.580 -1.532 -0.450 1.00 0.00 ? 20 LEU B HB3 14 ATOM 19482 H HG . LEU B 1 20 ? 4.148 -3.747 -1.745 1.00 0.00 ? 20 LEU B HG 14 ATOM 19483 H HD11 . LEU B 1 20 ? 5.001 -2.142 0.434 1.00 0.00 ? 20 LEU B HD11 14 ATOM 19484 H HD12 . LEU B 1 20 ? 4.538 -3.724 1.063 1.00 0.00 ? 20 LEU B HD12 14 ATOM 19485 H HD13 . LEU B 1 20 ? 5.745 -3.603 -0.217 1.00 0.00 ? 20 LEU B HD13 14 ATOM 19486 H HD21 . LEU B 1 20 ? 1.680 -3.552 -0.340 1.00 0.00 ? 20 LEU B HD21 14 ATOM 19487 H HD22 . LEU B 1 20 ? 2.457 -4.983 -1.019 1.00 0.00 ? 20 LEU B HD22 14 ATOM 19488 H HD23 . LEU B 1 20 ? 2.814 -4.486 0.636 1.00 0.00 ? 20 LEU B HD23 14 ATOM 19489 N N . GLN B 1 21 ? 2.112 0.573 -2.881 1.00 0.00 ? 21 GLN B N 14 ATOM 19490 C CA . GLN B 1 21 ? 1.348 1.813 -2.929 1.00 0.00 ? 21 GLN B CA 14 ATOM 19491 C C . GLN B 1 21 ? 0.268 1.737 -4.002 1.00 0.00 ? 21 GLN B C 14 ATOM 19492 O O . GLN B 1 21 ? -0.868 2.159 -3.784 1.00 0.00 ? 21 GLN B O 14 ATOM 19493 C CB . GLN B 1 21 ? 2.275 2.999 -3.202 1.00 0.00 ? 21 GLN B CB 14 ATOM 19494 C CG . GLN B 1 21 ? 1.552 4.334 -3.260 1.00 0.00 ? 21 GLN B CG 14 ATOM 19495 C CD . GLN B 1 21 ? 1.872 5.114 -4.520 1.00 0.00 ? 21 GLN B CD 14 ATOM 19496 O OE1 . GLN B 1 21 ? 1.010 5.313 -5.377 1.00 0.00 ? 21 GLN B OE1 14 ATOM 19497 N NE2 . GLN B 1 21 ? 3.117 5.562 -4.640 1.00 0.00 ? 21 GLN B NE2 14 ATOM 19498 H H . GLN B 1 21 ? 3.070 0.594 -3.093 1.00 0.00 ? 21 GLN B H 14 ATOM 19499 H HA . GLN B 1 21 ? 0.875 1.948 -1.967 1.00 0.00 ? 21 GLN B HA 14 ATOM 19500 H HB2 . GLN B 1 21 ? 3.016 3.049 -2.418 1.00 0.00 ? 21 GLN B HB2 14 ATOM 19501 H HB3 . GLN B 1 21 ? 2.773 2.841 -4.147 1.00 0.00 ? 21 GLN B HB3 14 ATOM 19502 H HG2 . GLN B 1 21 ? 0.487 4.155 -3.227 1.00 0.00 ? 21 GLN B HG2 14 ATOM 19503 H HG3 . GLN B 1 21 ? 1.844 4.925 -2.404 1.00 0.00 ? 21 GLN B HG3 14 ATOM 19504 H HE21 . GLN B 1 21 ? 3.750 5.366 -3.918 1.00 0.00 ? 21 GLN B HE21 14 ATOM 19505 H HE22 . GLN B 1 21 ? 3.351 6.069 -5.444 1.00 0.00 ? 21 GLN B HE22 14 ATOM 19506 N N . LYS B 1 22 ? 0.627 1.194 -5.160 1.00 0.00 ? 22 LYS B N 14 ATOM 19507 C CA . LYS B 1 22 ? -0.319 1.064 -6.263 1.00 0.00 ? 22 LYS B CA 14 ATOM 19508 C C . LYS B 1 22 ? -1.460 0.125 -5.886 1.00 0.00 ? 22 LYS B C 14 ATOM 19509 O O . LYS B 1 22 ? -2.615 0.357 -6.247 1.00 0.00 ? 22 LYS B O 14 ATOM 19510 C CB . LYS B 1 22 ? 0.394 0.544 -7.514 1.00 0.00 ? 22 LYS B CB 14 ATOM 19511 C CG . LYS B 1 22 ? -0.220 1.040 -8.813 1.00 0.00 ? 22 LYS B CG 14 ATOM 19512 C CD . LYS B 1 22 ? -0.601 -0.114 -9.725 1.00 0.00 ? 22 LYS B CD 14 ATOM 19513 C CE . LYS B 1 22 ? -1.879 -0.794 -9.259 1.00 0.00 ? 22 LYS B CE 14 ATOM 19514 N NZ . LYS B 1 22 ? -3.095 -0.093 -9.754 1.00 0.00 ? 22 LYS B NZ 14 ATOM 19515 H H . LYS B 1 22 ? 1.547 0.873 -5.277 1.00 0.00 ? 22 LYS B H 14 ATOM 19516 H HA . LYS B 1 22 ? -0.725 2.042 -6.470 1.00 0.00 ? 22 LYS B HA 14 ATOM 19517 H HB2 . LYS B 1 22 ? 1.426 0.861 -7.484 1.00 0.00 ? 22 LYS B HB2 14 ATOM 19518 H HB3 . LYS B 1 22 ? 0.357 -0.535 -7.513 1.00 0.00 ? 22 LYS B HB3 14 ATOM 19519 H HG2 . LYS B 1 22 ? -1.106 1.614 -8.585 1.00 0.00 ? 22 LYS B HG2 14 ATOM 19520 H HG3 . LYS B 1 22 ? 0.497 1.668 -9.321 1.00 0.00 ? 22 LYS B HG3 14 ATOM 19521 H HD2 . LYS B 1 22 ? -0.753 0.265 -10.725 1.00 0.00 ? 22 LYS B HD2 14 ATOM 19522 H HD3 . LYS B 1 22 ? 0.201 -0.837 -9.729 1.00 0.00 ? 22 LYS B HD3 14 ATOM 19523 H HE2 . LYS B 1 22 ? -1.885 -1.810 -9.625 1.00 0.00 ? 22 LYS B HE2 14 ATOM 19524 H HE3 . LYS B 1 22 ? -1.892 -0.802 -8.178 1.00 0.00 ? 22 LYS B HE3 14 ATOM 19525 H HZ1 . LYS B 1 22 ? -2.910 0.927 -9.841 1.00 0.00 ? 22 LYS B HZ1 14 ATOM 19526 H HZ2 . LYS B 1 22 ? -3.367 -0.466 -10.686 1.00 0.00 ? 22 LYS B HZ2 14 ATOM 19527 H HZ3 . LYS B 1 22 ? -3.884 -0.236 -9.093 1.00 0.00 ? 22 LYS B HZ3 14 ATOM 19528 N N . GLU B 1 23 ? -1.129 -0.937 -5.157 1.00 0.00 ? 23 GLU B N 14 ATOM 19529 C CA . GLU B 1 23 ? -2.124 -1.913 -4.730 1.00 0.00 ? 23 GLU B CA 14 ATOM 19530 C C . GLU B 1 23 ? -3.141 -1.283 -3.781 1.00 0.00 ? 23 GLU B C 14 ATOM 19531 O O . GLU B 1 23 ? -4.336 -1.575 -3.854 1.00 0.00 ? 23 GLU B O 14 ATOM 19532 C CB . GLU B 1 23 ? -1.443 -3.101 -4.050 1.00 0.00 ? 23 GLU B CB 14 ATOM 19533 C CG . GLU B 1 23 ? -1.790 -4.442 -4.677 1.00 0.00 ? 23 GLU B CG 14 ATOM 19534 C CD . GLU B 1 23 ? -0.665 -4.995 -5.530 1.00 0.00 ? 23 GLU B CD 14 ATOM 19535 O OE1 . GLU B 1 23 ? -0.476 -4.493 -6.658 1.00 0.00 ? 23 GLU B OE1 14 ATOM 19536 O OE2 . GLU B 1 23 ? 0.025 -5.930 -5.071 1.00 0.00 ? 23 GLU B OE2 14 ATOM 19537 H H . GLU B 1 23 ? -0.191 -1.067 -4.902 1.00 0.00 ? 23 GLU B H 14 ATOM 19538 H HA . GLU B 1 23 ? -2.642 -2.264 -5.611 1.00 0.00 ? 23 GLU B HA 14 ATOM 19539 H HB2 . GLU B 1 23 ? -0.372 -2.968 -4.106 1.00 0.00 ? 23 GLU B HB2 14 ATOM 19540 H HB3 . GLU B 1 23 ? -1.740 -3.125 -3.012 1.00 0.00 ? 23 GLU B HB3 14 ATOM 19541 H HG2 . GLU B 1 23 ? -2.003 -5.149 -3.888 1.00 0.00 ? 23 GLU B HG2 14 ATOM 19542 H HG3 . GLU B 1 23 ? -2.666 -4.320 -5.296 1.00 0.00 ? 23 GLU B HG3 14 ATOM 19543 N N . ILE B 1 24 ? -2.662 -0.417 -2.893 1.00 0.00 ? 24 ILE B N 14 ATOM 19544 C CA . ILE B 1 24 ? -3.544 0.245 -1.936 1.00 0.00 ? 24 ILE B CA 14 ATOM 19545 C C . ILE B 1 24 ? -4.543 1.142 -2.671 1.00 0.00 ? 24 ILE B C 14 ATOM 19546 O O . ILE B 1 24 ? -5.714 1.223 -2.300 1.00 0.00 ? 24 ILE B O 14 ATOM 19547 C CB . ILE B 1 24 ? -2.751 1.059 -0.858 1.00 0.00 ? 24 ILE B CB 14 ATOM 19548 C CG1 . ILE B 1 24 ? -2.560 2.531 -1.255 1.00 0.00 ? 24 ILE B CG1 14 ATOM 19549 C CG2 . ILE B 1 24 ? -1.396 0.420 -0.587 1.00 0.00 ? 24 ILE B CG2 14 ATOM 19550 C CD1 . ILE B 1 24 ? -3.731 3.407 -0.871 1.00 0.00 ? 24 ILE B CD1 14 ATOM 19551 H H . ILE B 1 24 ? -1.703 -0.220 -2.884 1.00 0.00 ? 24 ILE B H 14 ATOM 19552 H HA . ILE B 1 24 ? -4.100 -0.529 -1.422 1.00 0.00 ? 24 ILE B HA 14 ATOM 19553 H HB . ILE B 1 24 ? -3.317 1.020 0.061 1.00 0.00 ? 24 ILE B HB 14 ATOM 19554 H HG12 . ILE B 1 24 ? -1.679 2.919 -0.765 1.00 0.00 ? 24 ILE B HG12 14 ATOM 19555 H HG13 . ILE B 1 24 ? -2.430 2.597 -2.325 1.00 0.00 ? 24 ILE B HG13 14 ATOM 19556 H HG21 . ILE B 1 24 ? -1.436 -0.631 -0.834 1.00 0.00 ? 24 ILE B HG21 14 ATOM 19557 H HG22 . ILE B 1 24 ? -0.644 0.904 -1.192 1.00 0.00 ? 24 ILE B HG22 14 ATOM 19558 H HG23 . ILE B 1 24 ? -1.146 0.537 0.455 1.00 0.00 ? 24 ILE B HG23 14 ATOM 19559 H HD11 . ILE B 1 24 ? -4.494 2.801 -0.399 1.00 0.00 ? 24 ILE B HD11 14 ATOM 19560 H HD12 . ILE B 1 24 ? -3.401 4.170 -0.182 1.00 0.00 ? 24 ILE B HD12 14 ATOM 19561 H HD13 . ILE B 1 24 ? -4.139 3.872 -1.756 1.00 0.00 ? 24 ILE B HD13 14 ATOM 19562 N N . GLU B 1 25 ? -4.062 1.809 -3.717 1.00 0.00 ? 25 GLU B N 14 ATOM 19563 C CA . GLU B 1 25 ? -4.901 2.695 -4.512 1.00 0.00 ? 25 GLU B CA 14 ATOM 19564 C C . GLU B 1 25 ? -6.065 1.926 -5.123 1.00 0.00 ? 25 GLU B C 14 ATOM 19565 O O . GLU B 1 25 ? -7.204 2.390 -5.105 1.00 0.00 ? 25 GLU B O 14 ATOM 19566 C CB . GLU B 1 25 ? -4.075 3.358 -5.617 1.00 0.00 ? 25 GLU B CB 14 ATOM 19567 C CG . GLU B 1 25 ? -3.846 4.844 -5.395 1.00 0.00 ? 25 GLU B CG 14 ATOM 19568 C CD . GLU B 1 25 ? -2.853 5.434 -6.378 1.00 0.00 ? 25 GLU B CD 14 ATOM 19569 O OE1 . GLU B 1 25 ? -2.363 4.684 -7.248 1.00 0.00 ? 25 GLU B OE1 14 ATOM 19570 O OE2 . GLU B 1 25 ? -2.567 6.646 -6.278 1.00 0.00 ? 25 GLU B OE2 14 ATOM 19571 H H . GLU B 1 25 ? -3.119 1.698 -3.960 1.00 0.00 ? 25 GLU B H 14 ATOM 19572 H HA . GLU B 1 25 ? -5.291 3.459 -3.857 1.00 0.00 ? 25 GLU B HA 14 ATOM 19573 H HB2 . GLU B 1 25 ? -3.114 2.871 -5.673 1.00 0.00 ? 25 GLU B HB2 14 ATOM 19574 H HB3 . GLU B 1 25 ? -4.589 3.233 -6.558 1.00 0.00 ? 25 GLU B HB3 14 ATOM 19575 H HG2 . GLU B 1 25 ? -4.787 5.362 -5.503 1.00 0.00 ? 25 GLU B HG2 14 ATOM 19576 H HG3 . GLU B 1 25 ? -3.468 4.992 -4.393 1.00 0.00 ? 25 GLU B HG3 14 ATOM 19577 N N . ARG B 1 26 ? -5.772 0.743 -5.655 1.00 0.00 ? 26 ARG B N 14 ATOM 19578 C CA . ARG B 1 26 ? -6.801 -0.092 -6.261 1.00 0.00 ? 26 ARG B CA 14 ATOM 19579 C C . ARG B 1 26 ? -7.918 -0.363 -5.262 1.00 0.00 ? 26 ARG B C 14 ATOM 19580 O O . ARG B 1 26 ? -9.098 -0.173 -5.563 1.00 0.00 ? 26 ARG B O 14 ATOM 19581 C CB . ARG B 1 26 ? -6.199 -1.413 -6.745 1.00 0.00 ? 26 ARG B CB 14 ATOM 19582 C CG . ARG B 1 26 ? -7.215 -2.349 -7.378 1.00 0.00 ? 26 ARG B CG 14 ATOM 19583 C CD . ARG B 1 26 ? -6.666 -3.760 -7.511 1.00 0.00 ? 26 ARG B CD 14 ATOM 19584 N NE . ARG B 1 26 ? -5.396 -3.787 -8.231 1.00 0.00 ? 26 ARG B NE 14 ATOM 19585 C CZ . ARG B 1 26 ? -4.737 -4.904 -8.520 1.00 0.00 ? 26 ARG B CZ 14 ATOM 19586 N NH1 . ARG B 1 26 ? -5.227 -6.080 -8.150 1.00 0.00 ? 26 ARG B NH1 14 ATOM 19587 N NH2 . ARG B 1 26 ? -3.588 -4.847 -9.179 1.00 0.00 ? 26 ARG B NH2 14 ATOM 19588 H H . ARG B 1 26 ? -4.845 0.423 -5.633 1.00 0.00 ? 26 ARG B H 14 ATOM 19589 H HA . ARG B 1 26 ? -7.208 0.442 -7.107 1.00 0.00 ? 26 ARG B HA 14 ATOM 19590 H HB2 . ARG B 1 26 ? -5.433 -1.200 -7.476 1.00 0.00 ? 26 ARG B HB2 14 ATOM 19591 H HB3 . ARG B 1 26 ? -5.749 -1.919 -5.904 1.00 0.00 ? 26 ARG B HB3 14 ATOM 19592 H HG2 . ARG B 1 26 ? -8.100 -2.375 -6.759 1.00 0.00 ? 26 ARG B HG2 14 ATOM 19593 H HG3 . ARG B 1 26 ? -7.471 -1.977 -8.359 1.00 0.00 ? 26 ARG B HG3 14 ATOM 19594 H HD2 . ARG B 1 26 ? -6.516 -4.169 -6.522 1.00 0.00 ? 26 ARG B HD2 14 ATOM 19595 H HD3 . ARG B 1 26 ? -7.385 -4.364 -8.044 1.00 0.00 ? 26 ARG B HD3 14 ATOM 19596 H HE . ARG B 1 26 ? -5.016 -2.929 -8.515 1.00 0.00 ? 26 ARG B HE 14 ATOM 19597 H HH11 . ARG B 1 26 ? -6.093 -6.126 -7.653 1.00 0.00 ? 26 ARG B HH11 14 ATOM 19598 H HH12 . ARG B 1 26 ? -4.729 -6.920 -8.368 1.00 0.00 ? 26 ARG B HH12 14 ATOM 19599 H HH21 . ARG B 1 26 ? -3.216 -3.962 -9.460 1.00 0.00 ? 26 ARG B HH21 14 ATOM 19600 H HH22 . ARG B 1 26 ? -3.093 -5.688 -9.395 1.00 0.00 ? 26 ARG B HH22 14 ATOM 19601 N N . HIS B 1 27 ? -7.536 -0.797 -4.065 1.00 0.00 ? 27 HIS B N 14 ATOM 19602 C CA . HIS B 1 27 ? -8.505 -1.081 -3.014 1.00 0.00 ? 27 HIS B CA 14 ATOM 19603 C C . HIS B 1 27 ? -9.219 0.196 -2.582 1.00 0.00 ? 27 HIS B C 14 ATOM 19604 O O . HIS B 1 27 ? -10.331 0.149 -2.055 1.00 0.00 ? 27 HIS B O 14 ATOM 19605 C CB . HIS B 1 27 ? -7.812 -1.727 -1.812 1.00 0.00 ? 27 HIS B CB 14 ATOM 19606 C CG . HIS B 1 27 ? -8.232 -3.143 -1.569 1.00 0.00 ? 27 HIS B CG 14 ATOM 19607 N ND1 . HIS B 1 27 ? -9.435 -3.483 -0.986 1.00 0.00 ? 27 HIS B ND1 14 ATOM 19608 C CD2 . HIS B 1 27 ? -7.603 -4.312 -1.837 1.00 0.00 ? 27 HIS B CD2 14 ATOM 19609 C CE1 . HIS B 1 27 ? -9.526 -4.798 -0.902 1.00 0.00 ? 27 HIS B CE1 14 ATOM 19610 N NE2 . HIS B 1 27 ? -8.428 -5.324 -1.412 1.00 0.00 ? 27 HIS B NE2 14 ATOM 19611 H H . HIS B 1 27 ? -6.579 -0.920 -3.881 1.00 0.00 ? 27 HIS B H 14 ATOM 19612 H HA . HIS B 1 27 ? -9.234 -1.771 -3.413 1.00 0.00 ? 27 HIS B HA 14 ATOM 19613 H HB2 . HIS B 1 27 ? -6.745 -1.721 -1.975 1.00 0.00 ? 27 HIS B HB2 14 ATOM 19614 H HB3 . HIS B 1 27 ? -8.040 -1.154 -0.925 1.00 0.00 ? 27 HIS B HB3 14 ATOM 19615 H HD1 . HIS B 1 27 ? -10.119 -2.853 -0.676 1.00 0.00 ? 27 HIS B HD1 14 ATOM 19616 H HD2 . HIS B 1 27 ? -6.631 -4.426 -2.297 1.00 0.00 ? 27 HIS B HD2 14 ATOM 19617 H HE1 . HIS B 1 27 ? -10.358 -5.349 -0.489 1.00 0.00 ? 27 HIS B HE1 14 ATOM 19618 H HE2 . HIS B 1 27 ? -8.236 -6.283 -1.477 1.00 0.00 ? 27 HIS B HE2 14 ATOM 19619 N N . LYS B 1 28 ? -8.572 1.337 -2.808 1.00 0.00 ? 28 LYS B N 14 ATOM 19620 C CA . LYS B 1 28 ? -9.144 2.627 -2.443 1.00 0.00 ? 28 LYS B CA 14 ATOM 19621 C C . LYS B 1 28 ? -10.195 3.062 -3.457 1.00 0.00 ? 28 LYS B C 14 ATOM 19622 O O . LYS B 1 28 ? -11.102 3.831 -3.136 1.00 0.00 ? 28 LYS B O 14 ATOM 19623 C CB . LYS B 1 28 ? -8.044 3.686 -2.343 1.00 0.00 ? 28 LYS B CB 14 ATOM 19624 C CG . LYS B 1 28 ? -8.472 4.938 -1.596 1.00 0.00 ? 28 LYS B CG 14 ATOM 19625 C CD . LYS B 1 28 ? -8.599 6.130 -2.532 1.00 0.00 ? 28 LYS B CD 14 ATOM 19626 C CE . LYS B 1 28 ? -7.237 6.620 -2.996 1.00 0.00 ? 28 LYS B CE 14 ATOM 19627 N NZ . LYS B 1 28 ? -7.294 7.199 -4.367 1.00 0.00 ? 28 LYS B NZ 14 ATOM 19628 H H . LYS B 1 28 ? -7.689 1.311 -3.231 1.00 0.00 ? 28 LYS B H 14 ATOM 19629 H HA . LYS B 1 28 ? -9.614 2.517 -1.480 1.00 0.00 ? 28 LYS B HA 14 ATOM 19630 H HB2 . LYS B 1 28 ? -7.195 3.259 -1.832 1.00 0.00 ? 28 LYS B HB2 14 ATOM 19631 H HB3 . LYS B 1 28 ? -7.745 3.973 -3.341 1.00 0.00 ? 28 LYS B HB3 14 ATOM 19632 H HG2 . LYS B 1 28 ? -9.429 4.757 -1.129 1.00 0.00 ? 28 LYS B HG2 14 ATOM 19633 H HG3 . LYS B 1 28 ? -7.736 5.162 -0.838 1.00 0.00 ? 28 LYS B HG3 14 ATOM 19634 H HD2 . LYS B 1 28 ? -9.179 5.838 -3.393 1.00 0.00 ? 28 LYS B HD2 14 ATOM 19635 H HD3 . LYS B 1 28 ? -9.102 6.931 -2.010 1.00 0.00 ? 28 LYS B HD3 14 ATOM 19636 H HE2 . LYS B 1 28 ? -6.887 7.376 -2.310 1.00 0.00 ? 28 LYS B HE2 14 ATOM 19637 H HE3 . LYS B 1 28 ? -6.549 5.787 -2.995 1.00 0.00 ? 28 LYS B HE3 14 ATOM 19638 H HZ1 . LYS B 1 28 ? -8.203 6.967 -4.816 1.00 0.00 ? 28 LYS B HZ1 14 ATOM 19639 H HZ2 . LYS B 1 28 ? -7.195 8.233 -4.322 1.00 0.00 ? 28 LYS B HZ2 14 ATOM 19640 H HZ3 . LYS B 1 28 ? -6.523 6.814 -4.951 1.00 0.00 ? 28 LYS B HZ3 14 ATOM 19641 N N . GLN B 1 29 ? -10.070 2.564 -4.683 1.00 0.00 ? 29 GLN B N 14 ATOM 19642 C CA . GLN B 1 29 ? -11.011 2.899 -5.744 1.00 0.00 ? 29 GLN B CA 14 ATOM 19643 C C . GLN B 1 29 ? -12.304 2.110 -5.582 1.00 0.00 ? 29 GLN B C 14 ATOM 19644 O O . GLN B 1 29 ? -13.396 2.636 -5.797 1.00 0.00 ? 29 GLN B O 14 ATOM 19645 C CB . GLN B 1 29 ? -10.392 2.616 -7.114 1.00 0.00 ? 29 GLN B CB 14 ATOM 19646 C CG . GLN B 1 29 ? -11.253 3.080 -8.277 1.00 0.00 ? 29 GLN B CG 14 ATOM 19647 C CD . GLN B 1 29 ? -10.528 3.001 -9.606 1.00 0.00 ? 29 GLN B CD 14 ATOM 19648 O OE1 . GLN B 1 29 ? -10.848 2.165 -10.452 1.00 0.00 ? 29 GLN B OE1 14 ATOM 19649 N NE2 . GLN B 1 29 ? -9.544 3.872 -9.797 1.00 0.00 ? 29 GLN B NE2 14 ATOM 19650 H H . GLN B 1 29 ? -9.328 1.954 -4.878 1.00 0.00 ? 29 GLN B H 14 ATOM 19651 H HA . GLN B 1 29 ? -11.234 3.953 -5.669 1.00 0.00 ? 29 GLN B HA 14 ATOM 19652 H HB2 . GLN B 1 29 ? -9.439 3.119 -7.176 1.00 0.00 ? 29 GLN B HB2 14 ATOM 19653 H HB3 . GLN B 1 29 ? -10.236 1.552 -7.212 1.00 0.00 ? 29 GLN B HB3 14 ATOM 19654 H HG2 . GLN B 1 29 ? -12.134 2.457 -8.328 1.00 0.00 ? 29 GLN B HG2 14 ATOM 19655 H HG3 . GLN B 1 29 ? -11.548 4.105 -8.104 1.00 0.00 ? 29 GLN B HG3 14 ATOM 19656 H HE21 . GLN B 1 29 ? -9.345 4.508 -9.079 1.00 0.00 ? 29 GLN B HE21 14 ATOM 19657 H HE22 . GLN B 1 29 ? -9.058 3.843 -10.647 1.00 0.00 ? 29 GLN B HE22 14 ATOM 19658 N N . SER B 1 30 ? -12.172 0.844 -5.201 1.00 0.00 ? 30 SER B N 14 ATOM 19659 C CA . SER B 1 30 ? -13.331 -0.019 -5.007 1.00 0.00 ? 30 SER B CA 14 ATOM 19660 C C . SER B 1 30 ? -14.115 0.392 -3.765 1.00 0.00 ? 30 SER B C 14 ATOM 19661 O O . SER B 1 30 ? -15.346 0.350 -3.754 1.00 0.00 ? 30 SER B O 14 ATOM 19662 C CB . SER B 1 30 ? -12.892 -1.480 -4.890 1.00 0.00 ? 30 SER B CB 14 ATOM 19663 O OG . SER B 1 30 ? -11.803 -1.614 -3.993 1.00 0.00 ? 30 SER B OG 14 ATOM 19664 H H . SER B 1 30 ? -11.274 0.482 -5.044 1.00 0.00 ? 30 SER B H 14 ATOM 19665 H HA . SER B 1 30 ? -13.970 0.087 -5.872 1.00 0.00 ? 30 SER B HA 14 ATOM 19666 H HB2 . SER B 1 30 ? -13.717 -2.073 -4.525 1.00 0.00 ? 30 SER B HB2 14 ATOM 19667 H HB3 . SER B 1 30 ? -12.590 -1.842 -5.861 1.00 0.00 ? 30 SER B HB3 14 ATOM 19668 H HG . SER B 1 30 ? -11.643 -2.545 -3.820 1.00 0.00 ? 30 SER B HG 14 ATOM 19669 N N . ILE B 1 31 ? -13.396 0.790 -2.720 1.00 0.00 ? 31 ILE B N 14 ATOM 19670 C CA . ILE B 1 31 ? -14.028 1.207 -1.475 1.00 0.00 ? 31 ILE B CA 14 ATOM 19671 C C . ILE B 1 31 ? -14.631 2.600 -1.610 1.00 0.00 ? 31 ILE B C 14 ATOM 19672 O O . ILE B 1 31 ? -15.608 2.933 -0.939 1.00 0.00 ? 31 ILE B O 14 ATOM 19673 C CB . ILE B 1 31 ? -13.019 1.200 -0.311 1.00 0.00 ? 31 ILE B CB 14 ATOM 19674 C CG1 . ILE B 1 31 ? -13.687 1.641 0.989 1.00 0.00 ? 31 ILE B CG1 14 ATOM 19675 C CG2 . ILE B 1 31 ? -11.837 2.098 -0.632 1.00 0.00 ? 31 ILE B CG2 14 ATOM 19676 C CD1 . ILE B 1 31 ? -14.564 0.575 1.604 1.00 0.00 ? 31 ILE B CD1 14 ATOM 19677 H H . ILE B 1 31 ? -12.416 0.804 -2.788 1.00 0.00 ? 31 ILE B H 14 ATOM 19678 H HA . ILE B 1 31 ? -14.815 0.504 -1.247 1.00 0.00 ? 31 ILE B HA 14 ATOM 19679 H HB . ILE B 1 31 ? -12.654 0.192 -0.195 1.00 0.00 ? 31 ILE B HB 14 ATOM 19680 H HG12 . ILE B 1 31 ? -12.922 1.893 1.709 1.00 0.00 ? 31 ILE B HG12 14 ATOM 19681 H HG13 . ILE B 1 31 ? -14.299 2.510 0.799 1.00 0.00 ? 31 ILE B HG13 14 ATOM 19682 H HG21 . ILE B 1 31 ? -11.831 2.322 -1.689 1.00 0.00 ? 31 ILE B HG21 14 ATOM 19683 H HG22 . ILE B 1 31 ? -11.920 3.016 -0.070 1.00 0.00 ? 31 ILE B HG22 14 ATOM 19684 H HG23 . ILE B 1 31 ? -10.920 1.594 -0.365 1.00 0.00 ? 31 ILE B HG23 14 ATOM 19685 H HD11 . ILE B 1 31 ? -15.232 0.181 0.853 1.00 0.00 ? 31 ILE B HD11 14 ATOM 19686 H HD12 . ILE B 1 31 ? -13.945 -0.221 1.988 1.00 0.00 ? 31 ILE B HD12 14 ATOM 19687 H HD13 . ILE B 1 31 ? -15.141 1.004 2.410 1.00 0.00 ? 31 ILE B HD13 14 ATOM 19688 N N . LYS B 1 32 ? -14.046 3.409 -2.488 1.00 0.00 ? 32 LYS B N 14 ATOM 19689 C CA . LYS B 1 32 ? -14.530 4.765 -2.716 1.00 0.00 ? 32 LYS B CA 14 ATOM 19690 C C . LYS B 1 32 ? -15.793 4.748 -3.570 1.00 0.00 ? 32 LYS B C 14 ATOM 19691 O O . LYS B 1 32 ? -16.641 5.633 -3.461 1.00 0.00 ? 32 LYS B O 14 ATOM 19692 C CB . LYS B 1 32 ? -13.450 5.608 -3.396 1.00 0.00 ? 32 LYS B CB 14 ATOM 19693 C CG . LYS B 1 32 ? -13.878 7.041 -3.666 1.00 0.00 ? 32 LYS B CG 14 ATOM 19694 C CD . LYS B 1 32 ? -13.514 7.473 -5.078 1.00 0.00 ? 32 LYS B CD 14 ATOM 19695 C CE . LYS B 1 32 ? -14.656 7.223 -6.049 1.00 0.00 ? 32 LYS B CE 14 ATOM 19696 N NZ . LYS B 1 32 ? -14.297 7.611 -7.441 1.00 0.00 ? 32 LYS B NZ 14 ATOM 19697 H H . LYS B 1 32 ? -13.274 3.085 -2.996 1.00 0.00 ? 32 LYS B H 14 ATOM 19698 H HA . LYS B 1 32 ? -14.765 5.199 -1.757 1.00 0.00 ? 32 LYS B HA 14 ATOM 19699 H HB2 . LYS B 1 32 ? -12.575 5.629 -2.763 1.00 0.00 ? 32 LYS B HB2 14 ATOM 19700 H HB3 . LYS B 1 32 ? -13.191 5.148 -4.338 1.00 0.00 ? 32 LYS B HB3 14 ATOM 19701 H HG2 . LYS B 1 32 ? -14.947 7.117 -3.542 1.00 0.00 ? 32 LYS B HG2 14 ATOM 19702 H HG3 . LYS B 1 32 ? -13.384 7.693 -2.960 1.00 0.00 ? 32 LYS B HG3 14 ATOM 19703 H HD2 . LYS B 1 32 ? -13.285 8.529 -5.072 1.00 0.00 ? 32 LYS B HD2 14 ATOM 19704 H HD3 . LYS B 1 32 ? -12.648 6.916 -5.402 1.00 0.00 ? 32 LYS B HD3 14 ATOM 19705 H HE2 . LYS B 1 32 ? -14.902 6.172 -6.030 1.00 0.00 ? 32 LYS B HE2 14 ATOM 19706 H HE3 . LYS B 1 32 ? -15.514 7.798 -5.732 1.00 0.00 ? 32 LYS B HE3 14 ATOM 19707 H HZ1 . LYS B 1 32 ? -13.330 7.297 -7.661 1.00 0.00 ? 32 LYS B HZ1 14 ATOM 19708 H HZ2 . LYS B 1 32 ? -14.955 7.171 -8.115 1.00 0.00 ? 32 LYS B HZ2 14 ATOM 19709 H HZ3 . LYS B 1 32 ? -14.348 8.645 -7.548 1.00 0.00 ? 32 LYS B HZ3 14 ATOM 19710 N N . LYS B 1 33 ? -15.913 3.731 -4.419 1.00 0.00 ? 33 LYS B N 14 ATOM 19711 C CA . LYS B 1 33 ? -17.074 3.596 -5.290 1.00 0.00 ? 33 LYS B CA 14 ATOM 19712 C C . LYS B 1 33 ? -18.267 3.046 -4.516 1.00 0.00 ? 33 LYS B C 14 ATOM 19713 O O . LYS B 1 33 ? -19.409 3.440 -4.752 1.00 0.00 ? 33 LYS B O 14 ATOM 19714 C CB . LYS B 1 33 ? -16.750 2.679 -6.471 1.00 0.00 ? 33 LYS B CB 14 ATOM 19715 C CG . LYS B 1 33 ? -16.392 3.430 -7.743 1.00 0.00 ? 33 LYS B CG 14 ATOM 19716 C CD . LYS B 1 33 ? -17.306 3.041 -8.894 1.00 0.00 ? 33 LYS B CD 14 ATOM 19717 C CE . LYS B 1 33 ? -18.531 3.939 -8.960 1.00 0.00 ? 33 LYS B CE 14 ATOM 19718 N NZ . LYS B 1 33 ? -19.268 3.779 -10.244 1.00 0.00 ? 33 LYS B NZ 14 ATOM 19719 H H . LYS B 1 33 ? -15.205 3.055 -4.458 1.00 0.00 ? 33 LYS B H 14 ATOM 19720 H HA . LYS B 1 33 ? -17.325 4.577 -5.664 1.00 0.00 ? 33 LYS B HA 14 ATOM 19721 H HB2 . LYS B 1 33 ? -15.915 2.049 -6.203 1.00 0.00 ? 33 LYS B HB2 14 ATOM 19722 H HB3 . LYS B 1 33 ? -17.608 2.057 -6.674 1.00 0.00 ? 33 LYS B HB3 14 ATOM 19723 H HG2 . LYS B 1 33 ? -16.488 4.490 -7.562 1.00 0.00 ? 33 LYS B HG2 14 ATOM 19724 H HG3 . LYS B 1 33 ? -15.372 3.198 -8.010 1.00 0.00 ? 33 LYS B HG3 14 ATOM 19725 H HD2 . LYS B 1 33 ? -16.758 3.129 -9.820 1.00 0.00 ? 33 LYS B HD2 14 ATOM 19726 H HD3 . LYS B 1 33 ? -17.626 2.019 -8.757 1.00 0.00 ? 33 LYS B HD3 14 ATOM 19727 H HE2 . LYS B 1 33 ? -19.190 3.688 -8.143 1.00 0.00 ? 33 LYS B HE2 14 ATOM 19728 H HE3 . LYS B 1 33 ? -18.213 4.967 -8.863 1.00 0.00 ? 33 LYS B HE3 14 ATOM 19729 H HZ1 . LYS B 1 33 ? -18.974 2.901 -10.718 1.00 0.00 ? 33 LYS B HZ1 14 ATOM 19730 H HZ2 . LYS B 1 33 ? -20.291 3.738 -10.066 1.00 0.00 ? 33 LYS B HZ2 14 ATOM 19731 H HZ3 . LYS B 1 33 ? -19.069 4.583 -10.873 1.00 0.00 ? 33 LYS B HZ3 14 ATOM 19732 N N . LEU B 1 34 ? -17.994 2.133 -3.588 1.00 0.00 ? 34 LEU B N 14 ATOM 19733 C CA . LEU B 1 34 ? -19.043 1.530 -2.777 1.00 0.00 ? 34 LEU B CA 14 ATOM 19734 C C . LEU B 1 34 ? -19.563 2.520 -1.741 1.00 0.00 ? 34 LEU B C 14 ATOM 19735 O O . LEU B 1 34 ? -20.736 2.485 -1.367 1.00 0.00 ? 34 LEU B O 14 ATOM 19736 C CB . LEU B 1 34 ? -18.520 0.272 -2.080 1.00 0.00 ? 34 LEU B CB 14 ATOM 19737 C CG . LEU B 1 34 ? -18.883 -1.046 -2.765 1.00 0.00 ? 34 LEU B CG 14 ATOM 19738 C CD1 . LEU B 1 34 ? -17.961 -2.162 -2.297 1.00 0.00 ? 34 LEU B CD1 14 ATOM 19739 C CD2 . LEU B 1 34 ? -20.336 -1.404 -2.492 1.00 0.00 ? 34 LEU B CD2 14 ATOM 19740 H H . LEU B 1 34 ? -17.063 1.860 -3.446 1.00 0.00 ? 34 LEU B H 14 ATOM 19741 H HA . LEU B 1 34 ? -19.854 1.255 -3.435 1.00 0.00 ? 34 LEU B HA 14 ATOM 19742 H HB2 . LEU B 1 34 ? -17.443 0.340 -2.023 1.00 0.00 ? 34 LEU B HB2 14 ATOM 19743 H HB3 . LEU B 1 34 ? -18.915 0.251 -1.076 1.00 0.00 ? 34 LEU B HB3 14 ATOM 19744 H HG . LEU B 1 34 ? -18.759 -0.936 -3.832 1.00 0.00 ? 34 LEU B HG 14 ATOM 19745 H HD11 . LEU B 1 34 ? -17.677 -1.988 -1.270 1.00 0.00 ? 34 LEU B HD11 14 ATOM 19746 H HD12 . LEU B 1 34 ? -18.474 -3.108 -2.373 1.00 0.00 ? 34 LEU B HD12 14 ATOM 19747 H HD13 . LEU B 1 34 ? -17.076 -2.181 -2.917 1.00 0.00 ? 34 LEU B HD13 14 ATOM 19748 H HD21 . LEU B 1 34 ? -20.922 -0.499 -2.422 1.00 0.00 ? 34 LEU B HD21 14 ATOM 19749 H HD22 . LEU B 1 34 ? -20.713 -2.016 -3.299 1.00 0.00 ? 34 LEU B HD22 14 ATOM 19750 H HD23 . LEU B 1 34 ? -20.404 -1.951 -1.563 1.00 0.00 ? 34 LEU B HD23 14 ATOM 19751 N N . LYS B 1 35 ? -18.683 3.405 -1.281 1.00 0.00 ? 35 LYS B N 14 ATOM 19752 C CA . LYS B 1 35 ? -19.055 4.407 -0.289 1.00 0.00 ? 35 LYS B CA 14 ATOM 19753 C C . LYS B 1 35 ? -19.871 5.526 -0.927 1.00 0.00 ? 35 LYS B C 14 ATOM 19754 O O . LYS B 1 35 ? -20.806 6.050 -0.321 1.00 0.00 ? 35 LYS B O 14 ATOM 19755 C CB . LYS B 1 35 ? -17.804 4.986 0.375 1.00 0.00 ? 35 LYS B CB 14 ATOM 19756 C CG . LYS B 1 35 ? -18.108 6.035 1.431 1.00 0.00 ? 35 LYS B CG 14 ATOM 19757 C CD . LYS B 1 35 ? -17.296 7.301 1.208 1.00 0.00 ? 35 LYS B CD 14 ATOM 19758 C CE . LYS B 1 35 ? -15.918 7.198 1.840 1.00 0.00 ? 35 LYS B CE 14 ATOM 19759 N NZ . LYS B 1 35 ? -14.834 7.490 0.862 1.00 0.00 ? 35 LYS B NZ 14 ATOM 19760 H H . LYS B 1 35 ? -17.763 3.383 -1.618 1.00 0.00 ? 35 LYS B H 14 ATOM 19761 H HA . LYS B 1 35 ? -19.659 3.921 0.462 1.00 0.00 ? 35 LYS B HA 14 ATOM 19762 H HB2 . LYS B 1 35 ? -17.255 4.183 0.844 1.00 0.00 ? 35 LYS B HB2 14 ATOM 19763 H HB3 . LYS B 1 35 ? -17.185 5.439 -0.385 1.00 0.00 ? 35 LYS B HB3 14 ATOM 19764 H HG2 . LYS B 1 35 ? -19.158 6.282 1.389 1.00 0.00 ? 35 LYS B HG2 14 ATOM 19765 H HG3 . LYS B 1 35 ? -17.869 5.632 2.404 1.00 0.00 ? 35 LYS B HG3 14 ATOM 19766 H HD2 . LYS B 1 35 ? -17.183 7.463 0.147 1.00 0.00 ? 35 LYS B HD2 14 ATOM 19767 H HD3 . LYS B 1 35 ? -17.822 8.137 1.647 1.00 0.00 ? 35 LYS B HD3 14 ATOM 19768 H HE2 . LYS B 1 35 ? -15.855 7.905 2.654 1.00 0.00 ? 35 LYS B HE2 14 ATOM 19769 H HE3 . LYS B 1 35 ? -15.786 6.196 2.223 1.00 0.00 ? 35 LYS B HE3 14 ATOM 19770 H HZ1 . LYS B 1 35 ? -15.157 8.200 0.173 1.00 0.00 ? 35 LYS B HZ1 14 ATOM 19771 H HZ2 . LYS B 1 35 ? -13.996 7.857 1.355 1.00 0.00 ? 35 LYS B HZ2 14 ATOM 19772 H HZ3 . LYS B 1 35 ? -14.570 6.623 0.353 1.00 0.00 ? 35 LYS B HZ3 14 ATOM 19773 N N . GLN B 1 36 ? -19.512 5.887 -2.156 1.00 0.00 ? 36 GLN B N 14 ATOM 19774 C CA . GLN B 1 36 ? -20.212 6.944 -2.876 1.00 0.00 ? 36 GLN B CA 14 ATOM 19775 C C . GLN B 1 36 ? -21.588 6.470 -3.331 1.00 0.00 ? 36 GLN B C 14 ATOM 19776 O O . GLN B 1 36 ? -22.521 7.265 -3.454 1.00 0.00 ? 36 GLN B O 14 ATOM 19777 C CB . GLN B 1 36 ? -19.391 7.397 -4.085 1.00 0.00 ? 36 GLN B CB 14 ATOM 19778 C CG . GLN B 1 36 ? -19.818 8.745 -4.640 1.00 0.00 ? 36 GLN B CG 14 ATOM 19779 C CD . GLN B 1 36 ? -20.445 8.637 -6.015 1.00 0.00 ? 36 GLN B CD 14 ATOM 19780 O OE1 . GLN B 1 36 ? -20.159 7.707 -6.769 1.00 0.00 ? 36 GLN B OE1 14 ATOM 19781 N NE2 . GLN B 1 36 ? -21.307 9.591 -6.350 1.00 0.00 ? 36 GLN B NE2 14 ATOM 19782 H H . GLN B 1 36 ? -18.759 5.432 -2.587 1.00 0.00 ? 36 GLN B H 14 ATOM 19783 H HA . GLN B 1 36 ? -20.336 7.778 -2.203 1.00 0.00 ? 36 GLN B HA 14 ATOM 19784 H HB2 . GLN B 1 36 ? -18.352 7.463 -3.795 1.00 0.00 ? 36 GLN B HB2 14 ATOM 19785 H HB3 . GLN B 1 36 ? -19.489 6.661 -4.869 1.00 0.00 ? 36 GLN B HB3 14 ATOM 19786 H HG2 . GLN B 1 36 ? -20.538 9.186 -3.966 1.00 0.00 ? 36 GLN B HG2 14 ATOM 19787 H HG3 . GLN B 1 36 ? -18.950 9.385 -4.705 1.00 0.00 ? 36 GLN B HG3 14 ATOM 19788 H HE21 . GLN B 1 36 ? -21.486 10.301 -5.699 1.00 0.00 ? 36 GLN B HE21 14 ATOM 19789 H HE22 . GLN B 1 36 ? -21.726 9.546 -7.234 1.00 0.00 ? 36 GLN B HE22 14 ATOM 19790 N N . SER B 1 37 ? -21.709 5.170 -3.579 1.00 0.00 ? 37 SER B N 14 ATOM 19791 C CA . SER B 1 37 ? -22.972 4.590 -4.019 1.00 0.00 ? 37 SER B CA 14 ATOM 19792 C C . SER B 1 37 ? -23.977 4.544 -2.874 1.00 0.00 ? 37 SER B C 14 ATOM 19793 O O . SER B 1 37 ? -25.187 4.608 -3.094 1.00 0.00 ? 37 SER B O 14 ATOM 19794 C CB . SER B 1 37 ? -22.745 3.181 -4.571 1.00 0.00 ? 37 SER B CB 14 ATOM 19795 O OG . SER B 1 37 ? -23.313 3.041 -5.862 1.00 0.00 ? 37 SER B OG 14 ATOM 19796 H H . SER B 1 37 ? -20.930 4.587 -3.462 1.00 0.00 ? 37 SER B H 14 ATOM 19797 H HA . SER B 1 37 ? -23.368 5.215 -4.805 1.00 0.00 ? 37 SER B HA 14 ATOM 19798 H HB2 . SER B 1 37 ? -21.685 2.988 -4.636 1.00 0.00 ? 37 SER B HB2 14 ATOM 19799 H HB3 . SER B 1 37 ? -23.202 2.460 -3.910 1.00 0.00 ? 37 SER B HB3 14 ATOM 19800 H HG . SER B 1 37 ? -22.641 2.738 -6.477 1.00 0.00 ? 37 SER B HG 14 ATOM 19801 N N . GLU B 1 38 ? -23.468 4.433 -1.651 1.00 0.00 ? 38 GLU B N 14 ATOM 19802 C CA . GLU B 1 38 ? -24.323 4.380 -0.470 1.00 0.00 ? 38 GLU B CA 14 ATOM 19803 C C . GLU B 1 38 ? -24.980 5.732 -0.214 1.00 0.00 ? 38 GLU B C 14 ATOM 19804 O O . GLU B 1 38 ? -26.046 5.809 0.398 1.00 0.00 ? 38 GLU B O 14 ATOM 19805 C CB . GLU B 1 38 ? -23.510 3.954 0.754 1.00 0.00 ? 38 GLU B CB 14 ATOM 19806 C CG . GLU B 1 38 ? -24.342 3.269 1.827 1.00 0.00 ? 38 GLU B CG 14 ATOM 19807 C CD . GLU B 1 38 ? -23.553 3.006 3.095 1.00 0.00 ? 38 GLU B CD 14 ATOM 19808 O OE1 . GLU B 1 38 ? -22.576 2.229 3.036 1.00 0.00 ? 38 GLU B OE1 14 ATOM 19809 O OE2 . GLU B 1 38 ? -23.913 3.575 4.147 1.00 0.00 ? 38 GLU B OE2 14 ATOM 19810 H H . GLU B 1 38 ? -22.496 4.387 -1.539 1.00 0.00 ? 38 GLU B H 14 ATOM 19811 H HA . GLU B 1 38 ? -25.095 3.647 -0.652 1.00 0.00 ? 38 GLU B HA 14 ATOM 19812 H HB2 . GLU B 1 38 ? -22.736 3.270 0.438 1.00 0.00 ? 38 GLU B HB2 14 ATOM 19813 H HB3 . GLU B 1 38 ? -23.050 4.828 1.189 1.00 0.00 ? 38 GLU B HB3 14 ATOM 19814 H HG2 . GLU B 1 38 ? -25.183 3.900 2.070 1.00 0.00 ? 38 GLU B HG2 14 ATOM 19815 H HG3 . GLU B 1 38 ? -24.700 2.326 1.440 1.00 0.00 ? 38 GLU B HG3 14 ATOM 19816 N N . ASP B 1 39 ? -24.337 6.796 -0.684 1.00 0.00 ? 39 ASP B N 14 ATOM 19817 C CA . ASP B 1 39 ? -24.861 8.145 -0.505 1.00 0.00 ? 39 ASP B CA 14 ATOM 19818 C C . ASP B 1 39 ? -25.233 8.767 -1.847 1.00 0.00 ? 39 ASP B C 14 ATOM 19819 O O . ASP B 1 39 ? -25.247 9.989 -1.994 1.00 0.00 ? 39 ASP B O 14 ATOM 19820 C CB . ASP B 1 39 ? -23.830 9.024 0.208 1.00 0.00 ? 39 ASP B CB 14 ATOM 19821 C CG . ASP B 1 39 ? -24.412 9.732 1.416 1.00 0.00 ? 39 ASP B CG 14 ATOM 19822 O OD1 . ASP B 1 39 ? -24.967 9.043 2.298 1.00 0.00 ? 39 ASP B OD1 14 ATOM 19823 O OD2 . ASP B 1 39 ? -24.313 10.975 1.480 1.00 0.00 ? 39 ASP B OD2 14 ATOM 19824 H H . ASP B 1 39 ? -23.492 6.671 -1.162 1.00 0.00 ? 39 ASP B H 14 ATOM 19825 H HA . ASP B 1 39 ? -25.748 8.079 0.107 1.00 0.00 ? 39 ASP B HA 14 ATOM 19826 H HB2 . ASP B 1 39 ? -23.008 8.408 0.537 1.00 0.00 ? 39 ASP B HB2 14 ATOM 19827 H HB3 . ASP B 1 39 ? -23.463 9.769 -0.482 1.00 0.00 ? 39 ASP B HB3 14 ATOM 19828 N N . ASP B 1 40 ? -25.536 7.918 -2.824 1.00 0.00 ? 40 ASP B N 14 ATOM 19829 C CA . ASP B 1 40 ? -25.908 8.385 -4.154 1.00 0.00 ? 40 ASP B CA 14 ATOM 19830 C C . ASP B 1 40 ? -27.403 8.201 -4.396 1.00 0.00 ? 40 ASP B C 14 ATOM 19831 O O . ASP B 1 40 ? -28.140 9.174 -4.554 1.00 0.00 ? 40 ASP B O 14 ATOM 19832 C CB . ASP B 1 40 ? -25.111 7.635 -5.223 1.00 0.00 ? 40 ASP B CB 14 ATOM 19833 C CG . ASP B 1 40 ? -25.269 8.250 -6.600 1.00 0.00 ? 40 ASP B CG 14 ATOM 19834 O OD1 . ASP B 1 40 ? -26.414 8.307 -7.097 1.00 0.00 ? 40 ASP B OD1 14 ATOM 19835 O OD2 . ASP B 1 40 ? -24.248 8.675 -7.181 1.00 0.00 ? 40 ASP B OD2 14 ATOM 19836 H H . ASP B 1 40 ? -25.506 6.955 -2.646 1.00 0.00 ? 40 ASP B H 14 ATOM 19837 H HA . ASP B 1 40 ? -25.673 9.437 -4.214 1.00 0.00 ? 40 ASP B HA 14 ATOM 19838 H HB2 . ASP B 1 40 ? -24.064 7.651 -4.960 1.00 0.00 ? 40 ASP B HB2 14 ATOM 19839 H HB3 . ASP B 1 40 ? -25.452 6.610 -5.265 1.00 0.00 ? 40 ASP B HB3 14 ATOM 19840 N N . ASP B 1 41 ? -27.844 6.948 -4.422 1.00 0.00 ? 41 ASP B N 14 ATOM 19841 C CA . ASP B 1 41 ? -29.251 6.637 -4.644 1.00 0.00 ? 41 ASP B CA 14 ATOM 19842 C C . ASP B 1 41 ? -30.090 7.015 -3.428 1.00 0.00 ? 41 ASP B C 14 ATOM 19843 O O . ASP B 1 41 ? -29.827 6.469 -2.336 1.00 0.00 ? 41 ASP B O 14 ATOM 19844 C CB . ASP B 1 41 ? -29.423 5.149 -4.955 1.00 0.00 ? 41 ASP B CB 14 ATOM 19845 C CG . ASP B 1 41 ? -29.637 4.888 -6.433 1.00 0.00 ? 41 ASP B CG 14 ATOM 19846 O OD1 . ASP B 1 41 ? -30.031 5.831 -7.151 1.00 0.00 ? 41 ASP B OD1 14 ATOM 19847 O OD2 . ASP B 1 41 ? -29.410 3.741 -6.872 1.00 0.00 ? 41 ASP B OD2 14 ATOM 19848 O OXT . ASP B 1 41 ? -31.003 7.853 -3.578 1.00 0.00 ? 41 ASP B OXT 14 ATOM 19849 H H . ASP B 1 41 ? -27.207 6.214 -4.288 1.00 0.00 ? 41 ASP B H 14 ATOM 19850 H HA . ASP B 1 41 ? -29.588 7.213 -5.492 1.00 0.00 ? 41 ASP B HA 14 ATOM 19851 H HB2 . ASP B 1 41 ? -28.539 4.616 -4.639 1.00 0.00 ? 41 ASP B HB2 14 ATOM 19852 H HB3 . ASP B 1 41 ? -30.278 4.771 -4.413 1.00 0.00 ? 41 ASP B HB3 14 ATOM 19853 N N . ALA A 1 1 ? -28.818 11.164 1.166 1.00 0.00 ? 1 ALA A N 15 ATOM 19854 C CA . ALA A 1 1 ? -28.319 9.815 0.793 1.00 0.00 ? 1 ALA A CA 15 ATOM 19855 C C . ALA A 1 1 ? -27.604 9.153 1.967 1.00 0.00 ? 1 ALA A C 15 ATOM 19856 O O . ALA A 1 1 ? -26.875 9.806 2.713 1.00 0.00 ? 1 ALA A O 15 ATOM 19857 C CB . ALA A 1 1 ? -27.387 9.910 -0.405 1.00 0.00 ? 1 ALA A CB 15 ATOM 19858 H H1 . ALA A 1 1 ? -28.965 11.173 2.196 1.00 0.00 ? 1 ALA A H1 15 ATOM 19859 H H2 . ALA A 1 1 ? -28.097 11.858 0.883 1.00 0.00 ? 1 ALA A H2 15 ATOM 19860 H H3 . ALA A 1 1 ? -29.710 11.324 0.657 1.00 0.00 ? 1 ALA A H3 15 ATOM 19861 H HA . ALA A 1 1 ? -29.166 9.206 0.512 1.00 0.00 ? 1 ALA A HA 15 ATOM 19862 H HB1 . ALA A 1 1 ? -27.420 8.985 -0.961 1.00 0.00 ? 1 ALA A HB1 15 ATOM 19863 H HB2 . ALA A 1 1 ? -27.701 10.724 -1.042 1.00 0.00 ? 1 ALA A HB2 15 ATOM 19864 H HB3 . ALA A 1 1 ? -26.378 10.090 -0.064 1.00 0.00 ? 1 ALA A HB3 15 ATOM 19865 N N . LEU A 1 2 ? -27.819 7.850 2.123 1.00 0.00 ? 2 LEU A N 15 ATOM 19866 C CA . LEU A 1 2 ? -27.195 7.097 3.206 1.00 0.00 ? 2 LEU A CA 15 ATOM 19867 C C . LEU A 1 2 ? -27.728 5.668 3.250 1.00 0.00 ? 2 LEU A C 15 ATOM 19868 O O . LEU A 1 2 ? -28.909 5.444 3.516 1.00 0.00 ? 2 LEU A O 15 ATOM 19869 C CB . LEU A 1 2 ? -27.445 7.788 4.548 1.00 0.00 ? 2 LEU A CB 15 ATOM 19870 C CG . LEU A 1 2 ? -28.846 8.376 4.722 1.00 0.00 ? 2 LEU A CG 15 ATOM 19871 C CD1 . LEU A 1 2 ? -29.585 7.669 5.847 1.00 0.00 ? 2 LEU A CD1 15 ATOM 19872 C CD2 . LEU A 1 2 ? -28.767 9.872 4.992 1.00 0.00 ? 2 LEU A CD2 15 ATOM 19873 H H . LEU A 1 2 ? -28.410 7.384 1.496 1.00 0.00 ? 2 LEU A H 15 ATOM 19874 H HA . LEU A 1 2 ? -26.132 7.066 3.019 1.00 0.00 ? 2 LEU A HA 15 ATOM 19875 H HB2 . LEU A 1 2 ? -27.277 7.069 5.336 1.00 0.00 ? 2 LEU A HB2 15 ATOM 19876 H HB3 . LEU A 1 2 ? -26.727 8.588 4.655 1.00 0.00 ? 2 LEU A HB3 15 ATOM 19877 H HG . LEU A 1 2 ? -29.407 8.229 3.811 1.00 0.00 ? 2 LEU A HG 15 ATOM 19878 H HD11 . LEU A 1 2 ? -29.198 6.666 5.957 1.00 0.00 ? 2 LEU A HD11 15 ATOM 19879 H HD12 . LEU A 1 2 ? -29.443 8.212 6.770 1.00 0.00 ? 2 LEU A HD12 15 ATOM 19880 H HD13 . LEU A 1 2 ? -30.638 7.624 5.614 1.00 0.00 ? 2 LEU A HD13 15 ATOM 19881 H HD21 . LEU A 1 2 ? -27.813 10.107 5.440 1.00 0.00 ? 2 LEU A HD21 15 ATOM 19882 H HD22 . LEU A 1 2 ? -28.871 10.412 4.063 1.00 0.00 ? 2 LEU A HD22 15 ATOM 19883 H HD23 . LEU A 1 2 ? -29.561 10.159 5.666 1.00 0.00 ? 2 LEU A HD23 15 ATOM 19884 N N . LYS A 1 3 ? -26.850 4.706 2.987 1.00 0.00 ? 3 LYS A N 15 ATOM 19885 C CA . LYS A 1 3 ? -27.233 3.299 2.996 1.00 0.00 ? 3 LYS A CA 15 ATOM 19886 C C . LYS A 1 3 ? -26.438 2.524 4.042 1.00 0.00 ? 3 LYS A C 15 ATOM 19887 O O . LYS A 1 3 ? -25.367 2.956 4.468 1.00 0.00 ? 3 LYS A O 15 ATOM 19888 C CB . LYS A 1 3 ? -27.016 2.682 1.613 1.00 0.00 ? 3 LYS A CB 15 ATOM 19889 C CG . LYS A 1 3 ? -27.863 3.317 0.524 1.00 0.00 ? 3 LYS A CG 15 ATOM 19890 C CD . LYS A 1 3 ? -27.058 4.308 -0.302 1.00 0.00 ? 3 LYS A CD 15 ATOM 19891 C CE . LYS A 1 3 ? -27.539 5.733 -0.084 1.00 0.00 ? 3 LYS A CE 15 ATOM 19892 N NZ . LYS A 1 3 ? -27.303 6.588 -1.281 1.00 0.00 ? 3 LYS A NZ 15 ATOM 19893 H H . LYS A 1 3 ? -25.923 4.947 2.781 1.00 0.00 ? 3 LYS A H 15 ATOM 19894 H HA . LYS A 1 3 ? -28.282 3.243 3.244 1.00 0.00 ? 3 LYS A HA 15 ATOM 19895 H HB2 . LYS A 1 3 ? -25.977 2.792 1.341 1.00 0.00 ? 3 LYS A HB2 15 ATOM 19896 H HB3 . LYS A 1 3 ? -27.257 1.630 1.660 1.00 0.00 ? 3 LYS A HB3 15 ATOM 19897 H HG2 . LYS A 1 3 ? -28.236 2.541 -0.128 1.00 0.00 ? 3 LYS A HG2 15 ATOM 19898 H HG3 . LYS A 1 3 ? -28.693 3.835 0.982 1.00 0.00 ? 3 LYS A HG3 15 ATOM 19899 H HD2 . LYS A 1 3 ? -26.020 4.242 -0.014 1.00 0.00 ? 3 LYS A HD2 15 ATOM 19900 H HD3 . LYS A 1 3 ? -27.161 4.058 -1.347 1.00 0.00 ? 3 LYS A HD3 15 ATOM 19901 H HE2 . LYS A 1 3 ? -28.597 5.715 0.130 1.00 0.00 ? 3 LYS A HE2 15 ATOM 19902 H HE3 . LYS A 1 3 ? -27.009 6.154 0.758 1.00 0.00 ? 3 LYS A HE3 15 ATOM 19903 H HZ1 . LYS A 1 3 ? -27.144 5.993 -2.119 1.00 0.00 ? 3 LYS A HZ1 15 ATOM 19904 H HZ2 . LYS A 1 3 ? -28.128 7.198 -1.452 1.00 0.00 ? 3 LYS A HZ2 15 ATOM 19905 H HZ3 . LYS A 1 3 ? -26.467 7.188 -1.132 1.00 0.00 ? 3 LYS A HZ3 15 ATOM 19906 N N . LYS A 1 4 ? -26.971 1.378 4.453 1.00 0.00 ? 4 LYS A N 15 ATOM 19907 C CA . LYS A 1 4 ? -26.312 0.542 5.449 1.00 0.00 ? 4 LYS A CA 15 ATOM 19908 C C . LYS A 1 4 ? -25.509 -0.570 4.783 1.00 0.00 ? 4 LYS A C 15 ATOM 19909 O O . LYS A 1 4 ? -24.328 -0.755 5.073 1.00 0.00 ? 4 LYS A O 15 ATOM 19910 C CB . LYS A 1 4 ? -27.344 -0.060 6.405 1.00 0.00 ? 4 LYS A CB 15 ATOM 19911 C CG . LYS A 1 4 ? -28.442 0.911 6.805 1.00 0.00 ? 4 LYS A CG 15 ATOM 19912 C CD . LYS A 1 4 ? -27.866 2.204 7.359 1.00 0.00 ? 4 LYS A CD 15 ATOM 19913 C CE . LYS A 1 4 ? -27.189 1.983 8.702 1.00 0.00 ? 4 LYS A CE 15 ATOM 19914 N NZ . LYS A 1 4 ? -25.900 2.723 8.803 1.00 0.00 ? 4 LYS A NZ 15 ATOM 19915 H H . LYS A 1 4 ? -27.829 1.087 4.077 1.00 0.00 ? 4 LYS A H 15 ATOM 19916 H HA . LYS A 1 4 ? -25.637 1.169 6.012 1.00 0.00 ? 4 LYS A HA 15 ATOM 19917 H HB2 . LYS A 1 4 ? -27.805 -0.913 5.929 1.00 0.00 ? 4 LYS A HB2 15 ATOM 19918 H HB3 . LYS A 1 4 ? -26.839 -0.389 7.301 1.00 0.00 ? 4 LYS A HB3 15 ATOM 19919 H HG2 . LYS A 1 4 ? -29.043 1.139 5.938 1.00 0.00 ? 4 LYS A HG2 15 ATOM 19920 H HG3 . LYS A 1 4 ? -29.059 0.449 7.563 1.00 0.00 ? 4 LYS A HG3 15 ATOM 19921 H HD2 . LYS A 1 4 ? -27.139 2.592 6.661 1.00 0.00 ? 4 LYS A HD2 15 ATOM 19922 H HD3 . LYS A 1 4 ? -28.666 2.919 7.482 1.00 0.00 ? 4 LYS A HD3 15 ATOM 19923 H HE2 . LYS A 1 4 ? -27.849 2.323 9.484 1.00 0.00 ? 4 LYS A HE2 15 ATOM 19924 H HE3 . LYS A 1 4 ? -26.999 0.927 8.825 1.00 0.00 ? 4 LYS A HE3 15 ATOM 19925 H HZ1 . LYS A 1 4 ? -25.780 3.347 7.980 1.00 0.00 ? 4 LYS A HZ1 15 ATOM 19926 H HZ2 . LYS A 1 4 ? -25.887 3.301 9.667 1.00 0.00 ? 4 LYS A HZ2 15 ATOM 19927 H HZ3 . LYS A 1 4 ? -25.105 2.053 8.834 1.00 0.00 ? 4 LYS A HZ3 15 ATOM 19928 N N . HIS A 1 5 ? -26.157 -1.306 3.885 1.00 0.00 ? 5 HIS A N 15 ATOM 19929 C CA . HIS A 1 5 ? -25.499 -2.398 3.176 1.00 0.00 ? 5 HIS A CA 15 ATOM 19930 C C . HIS A 1 5 ? -24.190 -1.923 2.555 1.00 0.00 ? 5 HIS A C 15 ATOM 19931 O O . HIS A 1 5 ? -23.180 -2.629 2.589 1.00 0.00 ? 5 HIS A O 15 ATOM 19932 C CB . HIS A 1 5 ? -26.419 -2.961 2.090 1.00 0.00 ? 5 HIS A CB 15 ATOM 19933 C CG . HIS A 1 5 ? -27.246 -1.919 1.404 1.00 0.00 ? 5 HIS A CG 15 ATOM 19934 N ND1 . HIS A 1 5 ? -28.616 -1.835 1.539 1.00 0.00 ? 5 HIS A ND1 15 ATOM 19935 C CD2 . HIS A 1 5 ? -26.889 -0.911 0.573 1.00 0.00 ? 5 HIS A CD2 15 ATOM 19936 C CE1 . HIS A 1 5 ? -29.066 -0.822 0.820 1.00 0.00 ? 5 HIS A CE1 15 ATOM 19937 N NE2 . HIS A 1 5 ? -28.039 -0.246 0.226 1.00 0.00 ? 5 HIS A NE2 15 ATOM 19938 H H . HIS A 1 5 ? -27.097 -1.109 3.694 1.00 0.00 ? 5 HIS A H 15 ATOM 19939 H HA . HIS A 1 5 ? -25.282 -3.176 3.893 1.00 0.00 ? 5 HIS A HA 15 ATOM 19940 H HB2 . HIS A 1 5 ? -25.819 -3.455 1.342 1.00 0.00 ? 5 HIS A HB2 15 ATOM 19941 H HB3 . HIS A 1 5 ? -27.092 -3.680 2.537 1.00 0.00 ? 5 HIS A HB3 15 ATOM 19942 H HD1 . HIS A 1 5 ? -29.175 -2.432 2.079 1.00 0.00 ? 5 HIS A HD1 15 ATOM 19943 H HD2 . HIS A 1 5 ? -25.887 -0.674 0.245 1.00 0.00 ? 5 HIS A HD2 15 ATOM 19944 H HE1 . HIS A 1 5 ? -30.099 -0.517 0.735 1.00 0.00 ? 5 HIS A HE1 15 ATOM 19945 H HE2 . HIS A 1 5 ? -28.091 0.534 -0.368 1.00 0.00 ? 5 HIS A HE2 15 ATOM 19946 N N . HIS A 1 6 ? -24.213 -0.719 1.993 1.00 0.00 ? 6 HIS A N 15 ATOM 19947 C CA . HIS A 1 6 ? -23.026 -0.148 1.371 1.00 0.00 ? 6 HIS A CA 15 ATOM 19948 C C . HIS A 1 6 ? -21.927 0.045 2.404 1.00 0.00 ? 6 HIS A C 15 ATOM 19949 O O . HIS A 1 6 ? -20.823 -0.462 2.239 1.00 0.00 ? 6 HIS A O 15 ATOM 19950 C CB . HIS A 1 6 ? -23.360 1.184 0.698 1.00 0.00 ? 6 HIS A CB 15 ATOM 19951 C CG . HIS A 1 6 ? -23.253 1.145 -0.795 1.00 0.00 ? 6 HIS A CG 15 ATOM 19952 N ND1 . HIS A 1 6 ? -23.483 0.004 -1.536 1.00 0.00 ? 6 HIS A ND1 15 ATOM 19953 C CD2 . HIS A 1 6 ? -22.942 2.114 -1.687 1.00 0.00 ? 6 HIS A CD2 15 ATOM 19954 C CE1 . HIS A 1 6 ? -23.315 0.274 -2.819 1.00 0.00 ? 6 HIS A CE1 15 ATOM 19955 N NE2 . HIS A 1 6 ? -22.987 1.547 -2.936 1.00 0.00 ? 6 HIS A NE2 15 ATOM 19956 H H . HIS A 1 6 ? -25.046 -0.202 2.001 1.00 0.00 ? 6 HIS A H 15 ATOM 19957 H HA . HIS A 1 6 ? -22.677 -0.847 0.624 1.00 0.00 ? 6 HIS A HA 15 ATOM 19958 H HB2 . HIS A 1 6 ? -24.372 1.463 0.951 1.00 0.00 ? 6 HIS A HB2 15 ATOM 19959 H HB3 . HIS A 1 6 ? -22.682 1.942 1.061 1.00 0.00 ? 6 HIS A HB3 15 ATOM 19960 H HD1 . HIS A 1 6 ? -23.730 -0.873 -1.175 1.00 0.00 ? 6 HIS A HD1 15 ATOM 19961 H HD2 . HIS A 1 6 ? -22.702 3.143 -1.459 1.00 0.00 ? 6 HIS A HD2 15 ATOM 19962 H HE1 . HIS A 1 6 ? -23.428 -0.428 -3.632 1.00 0.00 ? 6 HIS A HE1 15 ATOM 19963 H HE2 . HIS A 1 6 ? -22.807 2.009 -3.781 1.00 0.00 ? 6 HIS A HE2 15 ATOM 19964 N N . GLU A 1 7 ? -22.237 0.770 3.473 1.00 0.00 ? 7 GLU A N 15 ATOM 19965 C CA . GLU A 1 7 ? -21.275 1.013 4.538 1.00 0.00 ? 7 GLU A CA 15 ATOM 19966 C C . GLU A 1 7 ? -20.689 -0.305 5.044 1.00 0.00 ? 7 GLU A C 15 ATOM 19967 O O . GLU A 1 7 ? -19.594 -0.331 5.603 1.00 0.00 ? 7 GLU A O 15 ATOM 19968 C CB . GLU A 1 7 ? -21.939 1.765 5.693 1.00 0.00 ? 7 GLU A CB 15 ATOM 19969 C CG . GLU A 1 7 ? -21.191 3.021 6.111 1.00 0.00 ? 7 GLU A CG 15 ATOM 19970 C CD . GLU A 1 7 ? -21.701 3.595 7.417 1.00 0.00 ? 7 GLU A CD 15 ATOM 19971 O OE1 . GLU A 1 7 ? -21.837 2.826 8.392 1.00 0.00 ? 7 GLU A OE1 15 ATOM 19972 O OE2 . GLU A 1 7 ? -21.964 4.815 7.466 1.00 0.00 ? 7 GLU A OE2 15 ATOM 19973 H H . GLU A 1 7 ? -23.135 1.146 3.549 1.00 0.00 ? 7 GLU A H 15 ATOM 19974 H HA . GLU A 1 7 ? -20.479 1.619 4.136 1.00 0.00 ? 7 GLU A HA 15 ATOM 19975 H HB2 . GLU A 1 7 ? -22.937 2.050 5.396 1.00 0.00 ? 7 GLU A HB2 15 ATOM 19976 H HB3 . GLU A 1 7 ? -22.001 1.108 6.548 1.00 0.00 ? 7 GLU A HB3 15 ATOM 19977 H HG2 . GLU A 1 7 ? -20.145 2.779 6.227 1.00 0.00 ? 7 GLU A HG2 15 ATOM 19978 H HG3 . GLU A 1 7 ? -21.304 3.766 5.337 1.00 0.00 ? 7 GLU A HG3 15 ATOM 19979 N N . ASN A 1 8 ? -21.426 -1.396 4.840 1.00 0.00 ? 8 ASN A N 15 ATOM 19980 C CA . ASN A 1 8 ? -20.976 -2.716 5.271 1.00 0.00 ? 8 ASN A CA 15 ATOM 19981 C C . ASN A 1 8 ? -19.790 -3.178 4.431 1.00 0.00 ? 8 ASN A C 15 ATOM 19982 O O . ASN A 1 8 ? -18.691 -3.385 4.950 1.00 0.00 ? 8 ASN A O 15 ATOM 19983 C CB . ASN A 1 8 ? -22.117 -3.729 5.167 1.00 0.00 ? 8 ASN A CB 15 ATOM 19984 C CG . ASN A 1 8 ? -22.576 -4.223 6.525 1.00 0.00 ? 8 ASN A CG 15 ATOM 19985 O OD1 . ASN A 1 8 ? -21.942 -5.085 7.132 1.00 0.00 ? 8 ASN A OD1 15 ATOM 19986 N ND2 . ASN A 1 8 ? -23.686 -3.677 7.009 1.00 0.00 ? 8 ASN A ND2 15 ATOM 19987 H H . ASN A 1 8 ? -22.290 -1.313 4.388 1.00 0.00 ? 8 ASN A H 15 ATOM 19988 H HA . ASN A 1 8 ? -20.663 -2.640 6.302 1.00 0.00 ? 8 ASN A HA 15 ATOM 19989 H HB2 . ASN A 1 8 ? -22.958 -3.266 4.671 1.00 0.00 ? 8 ASN A HB2 15 ATOM 19990 H HB3 . ASN A 1 8 ? -21.786 -4.578 4.588 1.00 0.00 ? 8 ASN A HB3 15 ATOM 19991 H HD21 . ASN A 1 8 ? -24.140 -2.996 6.470 1.00 0.00 ? 8 ASN A HD21 15 ATOM 19992 H HD22 . ASN A 1 8 ? -24.005 -3.978 7.885 1.00 0.00 ? 8 ASN A HD22 15 ATOM 19993 N N . GLU A 1 9 ? -20.009 -3.318 3.125 1.00 0.00 ? 9 GLU A N 15 ATOM 19994 C CA . GLU A 1 9 ? -18.942 -3.732 2.220 1.00 0.00 ? 9 GLU A CA 15 ATOM 19995 C C . GLU A 1 9 ? -17.886 -2.631 2.086 1.00 0.00 ? 9 GLU A C 15 ATOM 19996 O O . GLU A 1 9 ? -16.809 -2.852 1.532 1.00 0.00 ? 9 GLU A O 15 ATOM 19997 C CB . GLU A 1 9 ? -19.516 -4.075 0.843 1.00 0.00 ? 9 GLU A CB 15 ATOM 19998 C CG . GLU A 1 9 ? -20.474 -5.254 0.859 1.00 0.00 ? 9 GLU A CG 15 ATOM 19999 C CD . GLU A 1 9 ? -20.828 -5.736 -0.534 1.00 0.00 ? 9 GLU A CD 15 ATOM 20000 O OE1 . GLU A 1 9 ? -21.778 -5.186 -1.129 1.00 0.00 ? 9 GLU A OE1 15 ATOM 20001 O OE2 . GLU A 1 9 ? -20.154 -6.665 -1.029 1.00 0.00 ? 9 GLU A OE2 15 ATOM 20002 H H . GLU A 1 9 ? -20.902 -3.119 2.760 1.00 0.00 ? 9 GLU A H 15 ATOM 20003 H HA . GLU A 1 9 ? -18.477 -4.613 2.636 1.00 0.00 ? 9 GLU A HA 15 ATOM 20004 H HB2 . GLU A 1 9 ? -20.045 -3.214 0.463 1.00 0.00 ? 9 GLU A HB2 15 ATOM 20005 H HB3 . GLU A 1 9 ? -18.701 -4.309 0.174 1.00 0.00 ? 9 GLU A HB3 15 ATOM 20006 H HG2 . GLU A 1 9 ? -20.015 -6.068 1.399 1.00 0.00 ? 9 GLU A HG2 15 ATOM 20007 H HG3 . GLU A 1 9 ? -21.382 -4.956 1.363 1.00 0.00 ? 9 GLU A HG3 15 ATOM 20008 N N . ILE A 1 10 ? -18.207 -1.447 2.604 1.00 0.00 ? 10 ILE A N 15 ATOM 20009 C CA . ILE A 1 10 ? -17.311 -0.306 2.558 1.00 0.00 ? 10 ILE A CA 15 ATOM 20010 C C . ILE A 1 10 ? -16.386 -0.316 3.770 1.00 0.00 ? 10 ILE A C 15 ATOM 20011 O O . ILE A 1 10 ? -15.254 0.162 3.708 1.00 0.00 ? 10 ILE A O 15 ATOM 20012 C CB . ILE A 1 10 ? -18.133 1.004 2.514 1.00 0.00 ? 10 ILE A CB 15 ATOM 20013 C CG1 . ILE A 1 10 ? -18.875 1.110 1.182 1.00 0.00 ? 10 ILE A CG1 15 ATOM 20014 C CG2 . ILE A 1 10 ? -17.263 2.233 2.733 1.00 0.00 ? 10 ILE A CG2 15 ATOM 20015 C CD1 . ILE A 1 10 ? -20.086 2.016 1.233 1.00 0.00 ? 10 ILE A CD1 15 ATOM 20016 H H . ILE A 1 10 ? -19.070 -1.336 3.036 1.00 0.00 ? 10 ILE A H 15 ATOM 20017 H HA . ILE A 1 10 ? -16.719 -0.375 1.657 1.00 0.00 ? 10 ILE A HA 15 ATOM 20018 H HB . ILE A 1 10 ? -18.859 0.967 3.311 1.00 0.00 ? 10 ILE A HB 15 ATOM 20019 H HG12 . ILE A 1 10 ? -18.203 1.501 0.432 1.00 0.00 ? 10 ILE A HG12 15 ATOM 20020 H HG13 . ILE A 1 10 ? -19.209 0.127 0.883 1.00 0.00 ? 10 ILE A HG13 15 ATOM 20021 H HG21 . ILE A 1 10 ? -16.661 2.094 3.618 1.00 0.00 ? 10 ILE A HG21 15 ATOM 20022 H HG22 . ILE A 1 10 ? -16.623 2.379 1.877 1.00 0.00 ? 10 ILE A HG22 15 ATOM 20023 H HG23 . ILE A 1 10 ? -17.899 3.096 2.861 1.00 0.00 ? 10 ILE A HG23 15 ATOM 20024 H HD11 . ILE A 1 10 ? -20.499 2.009 2.230 1.00 0.00 ? 10 ILE A HD11 15 ATOM 20025 H HD12 . ILE A 1 10 ? -19.794 3.022 0.971 1.00 0.00 ? 10 ILE A HD12 15 ATOM 20026 H HD13 . ILE A 1 10 ? -20.829 1.663 0.532 1.00 0.00 ? 10 ILE A HD13 15 ATOM 20027 N N . SER A 1 11 ? -16.876 -0.885 4.866 1.00 0.00 ? 11 SER A N 15 ATOM 20028 C CA . SER A 1 11 ? -16.094 -0.983 6.088 1.00 0.00 ? 11 SER A CA 15 ATOM 20029 C C . SER A 1 11 ? -15.108 -2.136 5.978 1.00 0.00 ? 11 SER A C 15 ATOM 20030 O O . SER A 1 11 ? -14.020 -2.099 6.553 1.00 0.00 ? 11 SER A O 15 ATOM 20031 C CB . SER A 1 11 ? -17.011 -1.188 7.295 1.00 0.00 ? 11 SER A CB 15 ATOM 20032 O OG . SER A 1 11 ? -16.904 -0.109 8.208 1.00 0.00 ? 11 SER A OG 15 ATOM 20033 H H . SER A 1 11 ? -17.780 -1.262 4.845 1.00 0.00 ? 11 SER A H 15 ATOM 20034 H HA . SER A 1 11 ? -15.546 -0.061 6.210 1.00 0.00 ? 11 SER A HA 15 ATOM 20035 H HB2 . SER A 1 11 ? -18.035 -1.258 6.960 1.00 0.00 ? 11 SER A HB2 15 ATOM 20036 H HB3 . SER A 1 11 ? -16.737 -2.102 7.803 1.00 0.00 ? 11 SER A HB3 15 ATOM 20037 H HG . SER A 1 11 ? -17.624 0.508 8.060 1.00 0.00 ? 11 SER A HG 15 ATOM 20038 N N . HIS A 1 12 ? -15.496 -3.157 5.218 1.00 0.00 ? 12 HIS A N 15 ATOM 20039 C CA . HIS A 1 12 ? -14.647 -4.319 5.013 1.00 0.00 ? 12 HIS A CA 15 ATOM 20040 C C . HIS A 1 12 ? -13.528 -3.977 4.023 1.00 0.00 ? 12 HIS A C 15 ATOM 20041 O O . HIS A 1 12 ? -12.354 -4.240 4.288 1.00 0.00 ? 12 HIS A O 15 ATOM 20042 C CB . HIS A 1 12 ? -15.512 -5.515 4.551 1.00 0.00 ? 12 HIS A CB 15 ATOM 20043 C CG . HIS A 1 12 ? -14.946 -6.339 3.431 1.00 0.00 ? 12 HIS A CG 15 ATOM 20044 N ND1 . HIS A 1 12 ? -14.051 -7.371 3.626 1.00 0.00 ? 12 HIS A ND1 15 ATOM 20045 C CD2 . HIS A 1 12 ? -15.159 -6.272 2.099 1.00 0.00 ? 12 HIS A CD2 15 ATOM 20046 C CE1 . HIS A 1 12 ? -13.739 -7.904 2.458 1.00 0.00 ? 12 HIS A CE1 15 ATOM 20047 N NE2 . HIS A 1 12 ? -14.399 -7.256 1.516 1.00 0.00 ? 12 HIS A NE2 15 ATOM 20048 H H . HIS A 1 12 ? -16.373 -3.123 4.777 1.00 0.00 ? 12 HIS A H 15 ATOM 20049 H HA . HIS A 1 12 ? -14.197 -4.563 5.965 1.00 0.00 ? 12 HIS A HA 15 ATOM 20050 H HB2 . HIS A 1 12 ? -15.663 -6.176 5.391 1.00 0.00 ? 12 HIS A HB2 15 ATOM 20051 H HB3 . HIS A 1 12 ? -16.473 -5.140 4.229 1.00 0.00 ? 12 HIS A HB3 15 ATOM 20052 H HD1 . HIS A 1 12 ? -13.698 -7.667 4.491 1.00 0.00 ? 12 HIS A HD1 15 ATOM 20053 H HD2 . HIS A 1 12 ? -15.806 -5.571 1.591 1.00 0.00 ? 12 HIS A HD2 15 ATOM 20054 H HE1 . HIS A 1 12 ? -13.061 -8.730 2.301 1.00 0.00 ? 12 HIS A HE1 15 ATOM 20055 H HE2 . HIS A 1 12 ? -14.351 -7.447 0.556 1.00 0.00 ? 12 HIS A HE2 15 ATOM 20056 N N . HIS A 1 13 ? -13.891 -3.367 2.894 1.00 0.00 ? 13 HIS A N 15 ATOM 20057 C CA . HIS A 1 13 ? -12.893 -2.982 1.905 1.00 0.00 ? 13 HIS A CA 15 ATOM 20058 C C . HIS A 1 13 ? -11.981 -1.910 2.483 1.00 0.00 ? 13 HIS A C 15 ATOM 20059 O O . HIS A 1 13 ? -10.820 -1.793 2.095 1.00 0.00 ? 13 HIS A O 15 ATOM 20060 C CB . HIS A 1 13 ? -13.546 -2.463 0.624 1.00 0.00 ? 13 HIS A CB 15 ATOM 20061 C CG . HIS A 1 13 ? -14.432 -3.455 -0.058 1.00 0.00 ? 13 HIS A CG 15 ATOM 20062 N ND1 . HIS A 1 13 ? -14.197 -4.813 -0.049 1.00 0.00 ? 13 HIS A ND1 15 ATOM 20063 C CD2 . HIS A 1 13 ? -15.555 -3.274 -0.788 1.00 0.00 ? 13 HIS A CD2 15 ATOM 20064 C CE1 . HIS A 1 13 ? -15.139 -5.426 -0.746 1.00 0.00 ? 13 HIS A CE1 15 ATOM 20065 N NE2 . HIS A 1 13 ? -15.975 -4.513 -1.203 1.00 0.00 ? 13 HIS A NE2 15 ATOM 20066 H H . HIS A 1 13 ? -14.837 -3.158 2.733 1.00 0.00 ? 13 HIS A H 15 ATOM 20067 H HA . HIS A 1 13 ? -12.301 -3.856 1.672 1.00 0.00 ? 13 HIS A HA 15 ATOM 20068 H HB2 . HIS A 1 13 ? -14.142 -1.595 0.858 1.00 0.00 ? 13 HIS A HB2 15 ATOM 20069 H HB3 . HIS A 1 13 ? -12.770 -2.184 -0.072 1.00 0.00 ? 13 HIS A HB3 15 ATOM 20070 H HD1 . HIS A 1 13 ? -13.451 -5.262 0.400 1.00 0.00 ? 13 HIS A HD1 15 ATOM 20071 H HD2 . HIS A 1 13 ? -16.029 -2.327 -1.005 1.00 0.00 ? 13 HIS A HD2 15 ATOM 20072 H HE1 . HIS A 1 13 ? -15.213 -6.490 -0.910 1.00 0.00 ? 13 HIS A HE1 15 ATOM 20073 H HE2 . HIS A 1 13 ? -16.767 -4.693 -1.752 1.00 0.00 ? 13 HIS A HE2 15 ATOM 20074 N N . ALA A 1 14 ? -12.517 -1.133 3.423 1.00 0.00 ? 14 ALA A N 15 ATOM 20075 C CA . ALA A 1 14 ? -11.750 -0.075 4.066 1.00 0.00 ? 14 ALA A CA 15 ATOM 20076 C C . ALA A 1 14 ? -10.610 -0.673 4.876 1.00 0.00 ? 14 ALA A C 15 ATOM 20077 O O . ALA A 1 14 ? -9.462 -0.243 4.768 1.00 0.00 ? 14 ALA A O 15 ATOM 20078 C CB . ALA A 1 14 ? -12.652 0.768 4.957 1.00 0.00 ? 14 ALA A CB 15 ATOM 20079 H H . ALA A 1 14 ? -13.447 -1.279 3.692 1.00 0.00 ? 14 ALA A H 15 ATOM 20080 H HA . ALA A 1 14 ? -11.342 0.561 3.296 1.00 0.00 ? 14 ALA A HA 15 ATOM 20081 H HB1 . ALA A 1 14 ? -13.491 0.172 5.287 1.00 0.00 ? 14 ALA A HB1 15 ATOM 20082 H HB2 . ALA A 1 14 ? -12.093 1.108 5.815 1.00 0.00 ? 14 ALA A HB2 15 ATOM 20083 H HB3 . ALA A 1 14 ? -13.013 1.620 4.400 1.00 0.00 ? 14 ALA A HB3 15 ATOM 20084 N N . LYS A 1 15 ? -10.936 -1.684 5.676 1.00 0.00 ? 15 LYS A N 15 ATOM 20085 C CA . LYS A 1 15 ? -9.936 -2.359 6.492 1.00 0.00 ? 15 LYS A CA 15 ATOM 20086 C C . LYS A 1 15 ? -8.917 -3.061 5.602 1.00 0.00 ? 15 LYS A C 15 ATOM 20087 O O . LYS A 1 15 ? -7.779 -3.293 6.007 1.00 0.00 ? 15 LYS A O 15 ATOM 20088 C CB . LYS A 1 15 ? -10.604 -3.371 7.424 1.00 0.00 ? 15 LYS A CB 15 ATOM 20089 C CG . LYS A 1 15 ? -9.736 -3.777 8.603 1.00 0.00 ? 15 LYS A CG 15 ATOM 20090 C CD . LYS A 1 15 ? -10.528 -3.789 9.900 1.00 0.00 ? 15 LYS A CD 15 ATOM 20091 C CE . LYS A 1 15 ? -10.613 -5.189 10.488 1.00 0.00 ? 15 LYS A CE 15 ATOM 20092 N NZ . LYS A 1 15 ? -11.771 -5.333 11.414 1.00 0.00 ? 15 LYS A NZ 15 ATOM 20093 H H . LYS A 1 15 ? -11.866 -1.989 5.709 1.00 0.00 ? 15 LYS A H 15 ATOM 20094 H HA . LYS A 1 15 ? -9.429 -1.612 7.084 1.00 0.00 ? 15 LYS A HA 15 ATOM 20095 H HB2 . LYS A 1 15 ? -11.518 -2.941 7.808 1.00 0.00 ? 15 LYS A HB2 15 ATOM 20096 H HB3 . LYS A 1 15 ? -10.845 -4.259 6.858 1.00 0.00 ? 15 LYS A HB3 15 ATOM 20097 H HG2 . LYS A 1 15 ? -9.343 -4.767 8.425 1.00 0.00 ? 15 LYS A HG2 15 ATOM 20098 H HG3 . LYS A 1 15 ? -8.921 -3.074 8.696 1.00 0.00 ? 15 LYS A HG3 15 ATOM 20099 H HD2 . LYS A 1 15 ? -10.044 -3.140 10.613 1.00 0.00 ? 15 LYS A HD2 15 ATOM 20100 H HD3 . LYS A 1 15 ? -11.528 -3.429 9.703 1.00 0.00 ? 15 LYS A HD3 15 ATOM 20101 H HE2 . LYS A 1 15 ? -10.718 -5.898 9.681 1.00 0.00 ? 15 LYS A HE2 15 ATOM 20102 H HE3 . LYS A 1 15 ? -9.702 -5.393 11.030 1.00 0.00 ? 15 LYS A HE3 15 ATOM 20103 H HZ1 . LYS A 1 15 ? -11.740 -4.593 12.144 1.00 0.00 ? 15 LYS A HZ1 15 ATOM 20104 H HZ2 . LYS A 1 15 ? -12.664 -5.247 10.886 1.00 0.00 ? 15 LYS A HZ2 15 ATOM 20105 H HZ3 . LYS A 1 15 ? -11.743 -6.264 11.877 1.00 0.00 ? 15 LYS A HZ3 15 ATOM 20106 N N . GLU A 1 16 ? -9.337 -3.399 4.382 1.00 0.00 ? 16 GLU A N 15 ATOM 20107 C CA . GLU A 1 16 ? -8.461 -4.073 3.431 1.00 0.00 ? 16 GLU A CA 15 ATOM 20108 C C . GLU A 1 16 ? -7.445 -3.101 2.835 1.00 0.00 ? 16 GLU A C 15 ATOM 20109 O O . GLU A 1 16 ? -6.299 -3.470 2.584 1.00 0.00 ? 16 GLU A O 15 ATOM 20110 C CB . GLU A 1 16 ? -9.285 -4.716 2.315 1.00 0.00 ? 16 GLU A CB 15 ATOM 20111 C CG . GLU A 1 16 ? -9.726 -6.137 2.625 1.00 0.00 ? 16 GLU A CG 15 ATOM 20112 C CD . GLU A 1 16 ? -10.345 -6.268 4.003 1.00 0.00 ? 16 GLU A CD 15 ATOM 20113 O OE1 . GLU A 1 16 ? -9.645 -5.983 4.998 1.00 0.00 ? 16 GLU A OE1 15 ATOM 20114 O OE2 . GLU A 1 16 ? -11.530 -6.653 4.087 1.00 0.00 ? 16 GLU A OE2 15 ATOM 20115 H H . GLU A 1 16 ? -10.257 -3.191 4.117 1.00 0.00 ? 16 GLU A H 15 ATOM 20116 H HA . GLU A 1 16 ? -7.928 -4.848 3.964 1.00 0.00 ? 16 GLU A HA 15 ATOM 20117 H HB2 . GLU A 1 16 ? -10.167 -4.118 2.144 1.00 0.00 ? 16 GLU A HB2 15 ATOM 20118 H HB3 . GLU A 1 16 ? -8.694 -4.735 1.411 1.00 0.00 ? 16 GLU A HB3 15 ATOM 20119 H HG2 . GLU A 1 16 ? -10.455 -6.443 1.889 1.00 0.00 ? 16 GLU A HG2 15 ATOM 20120 H HG3 . GLU A 1 16 ? -8.866 -6.788 2.570 1.00 0.00 ? 16 GLU A HG3 15 ATOM 20121 N N . ILE A 1 17 ? -7.869 -1.860 2.613 1.00 0.00 ? 17 ILE A N 15 ATOM 20122 C CA . ILE A 1 17 ? -6.989 -0.840 2.051 1.00 0.00 ? 17 ILE A CA 15 ATOM 20123 C C . ILE A 1 17 ? -6.047 -0.291 3.120 1.00 0.00 ? 17 ILE A C 15 ATOM 20124 O O . ILE A 1 17 ? -4.963 0.203 2.810 1.00 0.00 ? 17 ILE A O 15 ATOM 20125 C CB . ILE A 1 17 ? -7.800 0.317 1.418 1.00 0.00 ? 17 ILE A CB 15 ATOM 20126 C CG1 . ILE A 1 17 ? -6.871 1.452 0.961 1.00 0.00 ? 17 ILE A CG1 15 ATOM 20127 C CG2 . ILE A 1 17 ? -8.843 0.835 2.397 1.00 0.00 ? 17 ILE A CG2 15 ATOM 20128 C CD1 . ILE A 1 17 ? -7.606 2.702 0.527 1.00 0.00 ? 17 ILE A CD1 15 ATOM 20129 H H . ILE A 1 17 ? -8.794 -1.622 2.837 1.00 0.00 ? 17 ILE A H 15 ATOM 20130 H HA . ILE A 1 17 ? -6.395 -1.302 1.272 1.00 0.00 ? 17 ILE A HA 15 ATOM 20131 H HB . ILE A 1 17 ? -8.322 -0.075 0.558 1.00 0.00 ? 17 ILE A HB 15 ATOM 20132 H HG12 . ILE A 1 17 ? -6.215 1.721 1.774 1.00 0.00 ? 17 ILE A HG12 15 ATOM 20133 H HG13 . ILE A 1 17 ? -6.279 1.107 0.126 1.00 0.00 ? 17 ILE A HG13 15 ATOM 20134 H HG21 . ILE A 1 17 ? -8.377 1.025 3.354 1.00 0.00 ? 17 ILE A HG21 15 ATOM 20135 H HG22 . ILE A 1 17 ? -9.271 1.750 2.017 1.00 0.00 ? 17 ILE A HG22 15 ATOM 20136 H HG23 . ILE A 1 17 ? -9.622 0.097 2.516 1.00 0.00 ? 17 ILE A HG23 15 ATOM 20137 H HD11 . ILE A 1 17 ? -8.521 2.425 0.024 1.00 0.00 ? 17 ILE A HD11 15 ATOM 20138 H HD12 . ILE A 1 17 ? -7.838 3.301 1.394 1.00 0.00 ? 17 ILE A HD12 15 ATOM 20139 H HD13 . ILE A 1 17 ? -6.983 3.269 -0.147 1.00 0.00 ? 17 ILE A HD13 15 ATOM 20140 N N . GLU A 1 18 ? -6.463 -0.388 4.378 1.00 0.00 ? 18 GLU A N 15 ATOM 20141 C CA . GLU A 1 18 ? -5.649 0.094 5.486 1.00 0.00 ? 18 GLU A CA 15 ATOM 20142 C C . GLU A 1 18 ? -4.590 -0.937 5.860 1.00 0.00 ? 18 GLU A C 15 ATOM 20143 O O . GLU A 1 18 ? -3.468 -0.588 6.225 1.00 0.00 ? 18 GLU A O 15 ATOM 20144 C CB . GLU A 1 18 ? -6.527 0.406 6.699 1.00 0.00 ? 18 GLU A CB 15 ATOM 20145 C CG . GLU A 1 18 ? -6.436 1.852 7.160 1.00 0.00 ? 18 GLU A CG 15 ATOM 20146 C CD . GLU A 1 18 ? -5.184 2.129 7.969 1.00 0.00 ? 18 GLU A CD 15 ATOM 20147 O OE1 . GLU A 1 18 ? -4.933 1.391 8.945 1.00 0.00 ? 18 GLU A OE1 15 ATOM 20148 O OE2 . GLU A 1 18 ? -4.453 3.081 7.624 1.00 0.00 ? 18 GLU A OE2 15 ATOM 20149 H H . GLU A 1 18 ? -7.334 -0.796 4.565 1.00 0.00 ? 18 GLU A H 15 ATOM 20150 H HA . GLU A 1 18 ? -5.154 0.998 5.165 1.00 0.00 ? 18 GLU A HA 15 ATOM 20151 H HB2 . GLU A 1 18 ? -7.557 0.196 6.448 1.00 0.00 ? 18 GLU A HB2 15 ATOM 20152 H HB3 . GLU A 1 18 ? -6.229 -0.229 7.520 1.00 0.00 ? 18 GLU A HB3 15 ATOM 20153 H HG2 . GLU A 1 18 ? -6.433 2.494 6.291 1.00 0.00 ? 18 GLU A HG2 15 ATOM 20154 H HG3 . GLU A 1 18 ? -7.298 2.077 7.770 1.00 0.00 ? 18 GLU A HG3 15 ATOM 20155 N N . ARG A 1 19 ? -4.954 -2.211 5.755 1.00 0.00 ? 19 ARG A N 15 ATOM 20156 C CA . ARG A 1 19 ? -4.033 -3.294 6.071 1.00 0.00 ? 19 ARG A CA 15 ATOM 20157 C C . ARG A 1 19 ? -2.993 -3.439 4.968 1.00 0.00 ? 19 ARG A C 15 ATOM 20158 O O . ARG A 1 19 ? -1.812 -3.666 5.236 1.00 0.00 ? 19 ARG A O 15 ATOM 20159 C CB . ARG A 1 19 ? -4.795 -4.610 6.250 1.00 0.00 ? 19 ARG A CB 15 ATOM 20160 C CG . ARG A 1 19 ? -4.033 -5.649 7.055 1.00 0.00 ? 19 ARG A CG 15 ATOM 20161 C CD . ARG A 1 19 ? -4.972 -6.654 7.700 1.00 0.00 ? 19 ARG A CD 15 ATOM 20162 N NE . ARG A 1 19 ? -4.262 -7.829 8.193 1.00 0.00 ? 19 ARG A NE 15 ATOM 20163 C CZ . ARG A 1 19 ? -3.886 -8.842 7.419 1.00 0.00 ? 19 ARG A CZ 15 ATOM 20164 N NH1 . ARG A 1 19 ? -4.156 -8.822 6.121 1.00 0.00 ? 19 ARG A NH1 15 ATOM 20165 N NH2 . ARG A 1 19 ? -3.241 -9.876 7.942 1.00 0.00 ? 19 ARG A NH2 15 ATOM 20166 H H . ARG A 1 19 ? -5.860 -2.427 5.450 1.00 0.00 ? 19 ARG A H 15 ATOM 20167 H HA . ARG A 1 19 ? -3.532 -3.047 6.995 1.00 0.00 ? 19 ARG A HA 15 ATOM 20168 H HB2 . ARG A 1 19 ? -5.727 -4.406 6.756 1.00 0.00 ? 19 ARG A HB2 15 ATOM 20169 H HB3 . ARG A 1 19 ? -5.006 -5.024 5.276 1.00 0.00 ? 19 ARG A HB3 15 ATOM 20170 H HG2 . ARG A 1 19 ? -3.356 -6.174 6.398 1.00 0.00 ? 19 ARG A HG2 15 ATOM 20171 H HG3 . ARG A 1 19 ? -3.469 -5.147 7.830 1.00 0.00 ? 19 ARG A HG3 15 ATOM 20172 H HD2 . ARG A 1 19 ? -5.477 -6.178 8.527 1.00 0.00 ? 19 ARG A HD2 15 ATOM 20173 H HD3 . ARG A 1 19 ? -5.701 -6.967 6.966 1.00 0.00 ? 19 ARG A HD3 15 ATOM 20174 H HE . ARG A 1 19 ? -4.053 -7.866 9.151 1.00 0.00 ? 19 ARG A HE 15 ATOM 20175 H HH11 . ARG A 1 19 ? -4.642 -8.043 5.724 1.00 0.00 ? 19 ARG A HH11 15 ATOM 20176 H HH12 . ARG A 1 19 ? -3.872 -9.584 5.540 1.00 0.00 ? 19 ARG A HH12 15 ATOM 20177 H HH21 . ARG A 1 19 ? -3.037 -9.895 8.920 1.00 0.00 ? 19 ARG A HH21 15 ATOM 20178 H HH22 . ARG A 1 19 ? -2.960 -10.637 7.358 1.00 0.00 ? 19 ARG A HH22 15 ATOM 20179 N N . LEU A 1 20 ? -3.440 -3.292 3.725 1.00 0.00 ? 20 LEU A N 15 ATOM 20180 C CA . LEU A 1 20 ? -2.548 -3.395 2.581 1.00 0.00 ? 20 LEU A CA 15 ATOM 20181 C C . LEU A 1 20 ? -1.567 -2.230 2.575 1.00 0.00 ? 20 LEU A C 15 ATOM 20182 O O . LEU A 1 20 ? -0.387 -2.401 2.270 1.00 0.00 ? 20 LEU A O 15 ATOM 20183 C CB . LEU A 1 20 ? -3.351 -3.417 1.279 1.00 0.00 ? 20 LEU A CB 15 ATOM 20184 C CG . LEU A 1 20 ? -2.963 -4.522 0.294 1.00 0.00 ? 20 LEU A CG 15 ATOM 20185 C CD1 . LEU A 1 20 ? -1.451 -4.622 0.167 1.00 0.00 ? 20 LEU A CD1 15 ATOM 20186 C CD2 . LEU A 1 20 ? -3.552 -5.855 0.732 1.00 0.00 ? 20 LEU A CD2 15 ATOM 20187 H H . LEU A 1 20 ? -4.390 -3.101 3.573 1.00 0.00 ? 20 LEU A H 15 ATOM 20188 H HA . LEU A 1 20 ? -1.994 -4.318 2.672 1.00 0.00 ? 20 LEU A HA 15 ATOM 20189 H HB2 . LEU A 1 20 ? -4.394 -3.538 1.528 1.00 0.00 ? 20 LEU A HB2 15 ATOM 20190 H HB3 . LEU A 1 20 ? -3.225 -2.466 0.786 1.00 0.00 ? 20 LEU A HB3 15 ATOM 20191 H HG . LEU A 1 20 ? -3.364 -4.284 -0.681 1.00 0.00 ? 20 LEU A HG 15 ATOM 20192 H HD11 . LEU A 1 20 ? -0.996 -3.743 0.601 1.00 0.00 ? 20 LEU A HD11 15 ATOM 20193 H HD12 . LEU A 1 20 ? -1.103 -5.501 0.689 1.00 0.00 ? 20 LEU A HD12 15 ATOM 20194 H HD13 . LEU A 1 20 ? -1.180 -4.690 -0.876 1.00 0.00 ? 20 LEU A HD13 15 ATOM 20195 H HD21 . LEU A 1 20 ? -4.523 -5.691 1.174 1.00 0.00 ? 20 LEU A HD21 15 ATOM 20196 H HD22 . LEU A 1 20 ? -3.650 -6.505 -0.125 1.00 0.00 ? 20 LEU A HD22 15 ATOM 20197 H HD23 . LEU A 1 20 ? -2.898 -6.315 1.459 1.00 0.00 ? 20 LEU A HD23 15 ATOM 20198 N N . GLN A 1 21 ? -2.064 -1.044 2.922 1.00 0.00 ? 21 GLN A N 15 ATOM 20199 C CA . GLN A 1 21 ? -1.229 0.150 2.964 1.00 0.00 ? 21 GLN A CA 15 ATOM 20200 C C . GLN A 1 21 ? -0.145 0.009 4.025 1.00 0.00 ? 21 GLN A C 15 ATOM 20201 O O . GLN A 1 21 ? 0.987 0.451 3.835 1.00 0.00 ? 21 GLN A O 15 ATOM 20202 C CB . GLN A 1 21 ? -2.083 1.387 3.249 1.00 0.00 ? 21 GLN A CB 15 ATOM 20203 C CG . GLN A 1 21 ? -1.271 2.660 3.422 1.00 0.00 ? 21 GLN A CG 15 ATOM 20204 C CD . GLN A 1 21 ? -2.143 3.893 3.559 1.00 0.00 ? 21 GLN A CD 15 ATOM 20205 O OE1 . GLN A 1 21 ? -1.880 4.926 2.944 1.00 0.00 ? 21 GLN A OE1 15 ATOM 20206 N NE2 . GLN A 1 21 ? -3.189 3.790 4.371 1.00 0.00 ? 21 GLN A NE2 15 ATOM 20207 H H . GLN A 1 21 ? -3.013 -0.973 3.160 1.00 0.00 ? 21 GLN A H 15 ATOM 20208 H HA . GLN A 1 21 ? -0.759 0.262 1.998 1.00 0.00 ? 21 GLN A HA 15 ATOM 20209 H HB2 . GLN A 1 21 ? -2.771 1.532 2.430 1.00 0.00 ? 21 GLN A HB2 15 ATOM 20210 H HB3 . GLN A 1 21 ? -2.647 1.219 4.156 1.00 0.00 ? 21 GLN A HB3 15 ATOM 20211 H HG2 . GLN A 1 21 ? -0.664 2.567 4.309 1.00 0.00 ? 21 GLN A HG2 15 ATOM 20212 H HG3 . GLN A 1 21 ? -0.632 2.783 2.560 1.00 0.00 ? 21 GLN A HG3 15 ATOM 20213 H HE21 . GLN A 1 21 ? -3.337 2.937 4.829 1.00 0.00 ? 21 GLN A HE21 15 ATOM 20214 H HE22 . GLN A 1 21 ? -3.769 4.572 4.479 1.00 0.00 ? 21 GLN A HE22 15 ATOM 20215 N N . LYS A 1 22 ? -0.500 -0.616 5.143 1.00 0.00 ? 22 LYS A N 15 ATOM 20216 C CA . LYS A 1 22 ? 0.444 -0.821 6.234 1.00 0.00 ? 22 LYS A CA 15 ATOM 20217 C C . LYS A 1 22 ? 1.620 -1.674 5.772 1.00 0.00 ? 22 LYS A C 15 ATOM 20218 O O . LYS A 1 22 ? 2.775 -1.367 6.063 1.00 0.00 ? 22 LYS A O 15 ATOM 20219 C CB . LYS A 1 22 ? -0.253 -1.490 7.421 1.00 0.00 ? 22 LYS A CB 15 ATOM 20220 C CG . LYS A 1 22 ? 0.330 -1.098 8.768 1.00 0.00 ? 22 LYS A CG 15 ATOM 20221 C CD . LYS A 1 22 ? 1.087 -2.251 9.407 1.00 0.00 ? 22 LYS A CD 15 ATOM 20222 C CE . LYS A 1 22 ? 2.588 -2.100 9.226 1.00 0.00 ? 22 LYS A CE 15 ATOM 20223 N NZ . LYS A 1 22 ? 3.309 -3.378 9.476 1.00 0.00 ? 22 LYS A NZ 15 ATOM 20224 H H . LYS A 1 22 ? -1.417 -0.949 5.235 1.00 0.00 ? 22 LYS A H 15 ATOM 20225 H HA . LYS A 1 22 ? 0.813 0.145 6.541 1.00 0.00 ? 22 LYS A HA 15 ATOM 20226 H HB2 . LYS A 1 22 ? -1.297 -1.217 7.411 1.00 0.00 ? 22 LYS A HB2 15 ATOM 20227 H HB3 . LYS A 1 22 ? -0.169 -2.562 7.316 1.00 0.00 ? 22 LYS A HB3 15 ATOM 20228 H HG2 . LYS A 1 22 ? 1.008 -0.268 8.629 1.00 0.00 ? 22 LYS A HG2 15 ATOM 20229 H HG3 . LYS A 1 22 ? -0.475 -0.800 9.424 1.00 0.00 ? 22 LYS A HG3 15 ATOM 20230 H HD2 . LYS A 1 22 ? 0.862 -2.276 10.462 1.00 0.00 ? 22 LYS A HD2 15 ATOM 20231 H HD3 . LYS A 1 22 ? 0.769 -3.176 8.946 1.00 0.00 ? 22 LYS A HD3 15 ATOM 20232 H HE2 . LYS A 1 22 ? 2.785 -1.777 8.214 1.00 0.00 ? 22 LYS A HE2 15 ATOM 20233 H HE3 . LYS A 1 22 ? 2.947 -1.352 9.918 1.00 0.00 ? 22 LYS A HE3 15 ATOM 20234 H HZ1 . LYS A 1 22 ? 3.000 -3.793 10.377 1.00 0.00 ? 22 LYS A HZ1 15 ATOM 20235 H HZ2 . LYS A 1 22 ? 3.114 -4.054 8.710 1.00 0.00 ? 22 LYS A HZ2 15 ATOM 20236 H HZ3 . LYS A 1 22 ? 4.335 -3.207 9.520 1.00 0.00 ? 22 LYS A HZ3 15 ATOM 20237 N N . GLU A 1 23 ? 1.316 -2.747 5.048 1.00 0.00 ? 23 GLU A N 15 ATOM 20238 C CA . GLU A 1 23 ? 2.347 -3.645 4.542 1.00 0.00 ? 23 GLU A CA 15 ATOM 20239 C C . GLU A 1 23 ? 3.337 -2.895 3.653 1.00 0.00 ? 23 GLU A C 15 ATOM 20240 O O . GLU A 1 23 ? 4.553 -3.055 3.785 1.00 0.00 ? 23 GLU A O 15 ATOM 20241 C CB . GLU A 1 23 ? 1.711 -4.795 3.759 1.00 0.00 ? 23 GLU A CB 15 ATOM 20242 C CG . GLU A 1 23 ? 1.326 -5.983 4.626 1.00 0.00 ? 23 GLU A CG 15 ATOM 20243 C CD . GLU A 1 23 ? -0.028 -6.557 4.259 1.00 0.00 ? 23 GLU A CD 15 ATOM 20244 O OE1 . GLU A 1 23 ? -0.530 -6.238 3.162 1.00 0.00 ? 23 GLU A OE1 15 ATOM 20245 O OE2 . GLU A 1 23 ? -0.585 -7.326 5.071 1.00 0.00 ? 23 GLU A OE2 15 ATOM 20246 H H . GLU A 1 23 ? 0.374 -2.938 4.848 1.00 0.00 ? 23 GLU A H 15 ATOM 20247 H HA . GLU A 1 23 ? 2.879 -4.050 5.390 1.00 0.00 ? 23 GLU A HA 15 ATOM 20248 H HB2 . GLU A 1 23 ? 0.822 -4.432 3.267 1.00 0.00 ? 23 GLU A HB2 15 ATOM 20249 H HB3 . GLU A 1 23 ? 2.412 -5.136 3.010 1.00 0.00 ? 23 GLU A HB3 15 ATOM 20250 H HG2 . GLU A 1 23 ? 2.071 -6.755 4.508 1.00 0.00 ? 23 GLU A HG2 15 ATOM 20251 H HG3 . GLU A 1 23 ? 1.299 -5.664 5.658 1.00 0.00 ? 23 GLU A HG3 15 ATOM 20252 N N . ILE A 1 24 ? 2.811 -2.073 2.749 1.00 0.00 ? 24 ILE A N 15 ATOM 20253 C CA . ILE A 1 24 ? 3.664 -1.303 1.849 1.00 0.00 ? 24 ILE A CA 15 ATOM 20254 C C . ILE A 1 24 ? 4.568 -0.370 2.654 1.00 0.00 ? 24 ILE A C 15 ATOM 20255 O O . ILE A 1 24 ? 5.719 -0.134 2.293 1.00 0.00 ? 24 ILE A O 15 ATOM 20256 C CB . ILE A 1 24 ? 2.843 -0.505 0.780 1.00 0.00 ? 24 ILE A CB 15 ATOM 20257 C CG1 . ILE A 1 24 ? 2.544 0.935 1.224 1.00 0.00 ? 24 ILE A CG1 15 ATOM 20258 C CG2 . ILE A 1 24 ? 1.544 -1.221 0.445 1.00 0.00 ? 24 ILE A CG2 15 ATOM 20259 C CD1 . ILE A 1 24 ? 3.620 1.916 0.813 1.00 0.00 ? 24 ILE A CD1 15 ATOM 20260 H H . ILE A 1 24 ? 1.838 -1.982 2.694 1.00 0.00 ? 24 ILE A H 15 ATOM 20261 H HA . ILE A 1 24 ? 4.293 -2.010 1.323 1.00 0.00 ? 24 ILE A HA 15 ATOM 20262 H HB . ILE A 1 24 ? 3.434 -0.471 -0.123 1.00 0.00 ? 24 ILE A HB 15 ATOM 20263 H HG12 . ILE A 1 24 ? 1.613 1.257 0.781 1.00 0.00 ? 24 ILE A HG12 15 ATOM 20264 H HG13 . ILE A 1 24 ? 2.458 0.964 2.299 1.00 0.00 ? 24 ILE A HG13 15 ATOM 20265 H HG21 . ILE A 1 24 ? 1.700 -2.289 0.485 1.00 0.00 ? 24 ILE A HG21 15 ATOM 20266 H HG22 . ILE A 1 24 ? 0.785 -0.940 1.159 1.00 0.00 ? 24 ILE A HG22 15 ATOM 20267 H HG23 . ILE A 1 24 ? 1.224 -0.940 -0.547 1.00 0.00 ? 24 ILE A HG23 15 ATOM 20268 H HD11 . ILE A 1 24 ? 4.392 1.392 0.265 1.00 0.00 ? 24 ILE A HD11 15 ATOM 20269 H HD12 . ILE A 1 24 ? 3.189 2.681 0.185 1.00 0.00 ? 24 ILE A HD12 15 ATOM 20270 H HD13 . ILE A 1 24 ? 4.048 2.371 1.693 1.00 0.00 ? 24 ILE A HD13 15 ATOM 20271 N N . GLU A 1 25 ? 4.027 0.149 3.754 1.00 0.00 ? 25 GLU A N 15 ATOM 20272 C CA . GLU A 1 25 ? 4.773 1.049 4.624 1.00 0.00 ? 25 GLU A CA 15 ATOM 20273 C C . GLU A 1 25 ? 6.028 0.365 5.146 1.00 0.00 ? 25 GLU A C 15 ATOM 20274 O O . GLU A 1 25 ? 7.103 0.961 5.177 1.00 0.00 ? 25 GLU A O 15 ATOM 20275 C CB . GLU A 1 25 ? 3.898 1.503 5.794 1.00 0.00 ? 25 GLU A CB 15 ATOM 20276 C CG . GLU A 1 25 ? 4.103 2.960 6.179 1.00 0.00 ? 25 GLU A CG 15 ATOM 20277 C CD . GLU A 1 25 ? 2.796 3.690 6.415 1.00 0.00 ? 25 GLU A CD 15 ATOM 20278 O OE1 . GLU A 1 25 ? 2.202 3.506 7.499 1.00 0.00 ? 25 GLU A OE1 15 ATOM 20279 O OE2 . GLU A 1 25 ? 2.366 4.443 5.518 1.00 0.00 ? 25 GLU A OE2 15 ATOM 20280 H H . GLU A 1 25 ? 3.104 -0.084 3.988 1.00 0.00 ? 25 GLU A H 15 ATOM 20281 H HA . GLU A 1 25 ? 5.060 1.913 4.042 1.00 0.00 ? 25 GLU A HA 15 ATOM 20282 H HB2 . GLU A 1 25 ? 2.861 1.367 5.528 1.00 0.00 ? 25 GLU A HB2 15 ATOM 20283 H HB3 . GLU A 1 25 ? 4.124 0.890 6.655 1.00 0.00 ? 25 GLU A HB3 15 ATOM 20284 H HG2 . GLU A 1 25 ? 4.690 3.000 7.084 1.00 0.00 ? 25 GLU A HG2 15 ATOM 20285 H HG3 . GLU A 1 25 ? 4.638 3.456 5.382 1.00 0.00 ? 25 GLU A HG3 15 ATOM 20286 N N . ARG A 1 26 ? 5.885 -0.895 5.546 1.00 0.00 ? 26 ARG A N 15 ATOM 20287 C CA . ARG A 1 26 ? 7.013 -1.663 6.055 1.00 0.00 ? 26 ARG A CA 15 ATOM 20288 C C . ARG A 1 26 ? 8.114 -1.736 5.005 1.00 0.00 ? 26 ARG A C 15 ATOM 20289 O O . ARG A 1 26 ? 9.276 -1.433 5.284 1.00 0.00 ? 26 ARG A O 15 ATOM 20290 C CB . ARG A 1 26 ? 6.565 -3.073 6.444 1.00 0.00 ? 26 ARG A CB 15 ATOM 20291 C CG . ARG A 1 26 ? 7.532 -3.781 7.381 1.00 0.00 ? 26 ARG A CG 15 ATOM 20292 C CD . ARG A 1 26 ? 7.586 -5.274 7.103 1.00 0.00 ? 26 ARG A CD 15 ATOM 20293 N NE . ARG A 1 26 ? 8.865 -5.858 7.496 1.00 0.00 ? 26 ARG A NE 15 ATOM 20294 C CZ . ARG A 1 26 ? 9.179 -6.169 8.749 1.00 0.00 ? 26 ARG A CZ 15 ATOM 20295 N NH1 . ARG A 1 26 ? 8.307 -5.954 9.725 1.00 0.00 ? 26 ARG A NH1 15 ATOM 20296 N NH2 . ARG A 1 26 ? 10.363 -6.697 9.028 1.00 0.00 ? 26 ARG A NH2 15 ATOM 20297 H H . ARG A 1 26 ? 5.003 -1.318 5.490 1.00 0.00 ? 26 ARG A H 15 ATOM 20298 H HA . ARG A 1 26 ? 7.394 -1.158 6.930 1.00 0.00 ? 26 ARG A HA 15 ATOM 20299 H HB2 . ARG A 1 26 ? 5.605 -3.013 6.933 1.00 0.00 ? 26 ARG A HB2 15 ATOM 20300 H HB3 . ARG A 1 26 ? 6.468 -3.668 5.549 1.00 0.00 ? 26 ARG A HB3 15 ATOM 20301 H HG2 . ARG A 1 26 ? 8.519 -3.364 7.248 1.00 0.00 ? 26 ARG A HG2 15 ATOM 20302 H HG3 . ARG A 1 26 ? 7.208 -3.624 8.400 1.00 0.00 ? 26 ARG A HG3 15 ATOM 20303 H HD2 . ARG A 1 26 ? 6.795 -5.759 7.656 1.00 0.00 ? 26 ARG A HD2 15 ATOM 20304 H HD3 . ARG A 1 26 ? 7.436 -5.435 6.046 1.00 0.00 ? 26 ARG A HD3 15 ATOM 20305 H HE . ARG A 1 26 ? 9.524 -6.025 6.790 1.00 0.00 ? 26 ARG A HE 15 ATOM 20306 H HH11 . ARG A 1 26 ? 7.414 -5.556 9.519 1.00 0.00 ? 26 ARG A HH11 15 ATOM 20307 H HH12 . ARG A 1 26 ? 8.544 -6.189 10.668 1.00 0.00 ? 26 ARG A HH12 15 ATOM 20308 H HH21 . ARG A 1 26 ? 11.021 -6.862 8.294 1.00 0.00 ? 26 ARG A HH21 15 ATOM 20309 H HH22 . ARG A 1 26 ? 10.596 -6.932 9.972 1.00 0.00 ? 26 ARG A HH22 15 ATOM 20310 N N . HIS A 1 27 ? 7.737 -2.124 3.791 1.00 0.00 ? 27 HIS A N 15 ATOM 20311 C CA . HIS A 1 27 ? 8.692 -2.219 2.695 1.00 0.00 ? 27 HIS A CA 15 ATOM 20312 C C . HIS A 1 27 ? 9.293 -0.849 2.389 1.00 0.00 ? 27 HIS A C 15 ATOM 20313 O O . HIS A 1 27 ? 10.389 -0.749 1.839 1.00 0.00 ? 27 HIS A O 15 ATOM 20314 C CB . HIS A 1 27 ? 8.015 -2.785 1.446 1.00 0.00 ? 27 HIS A CB 15 ATOM 20315 C CG . HIS A 1 27 ? 8.434 -4.185 1.121 1.00 0.00 ? 27 HIS A CG 15 ATOM 20316 N ND1 . HIS A 1 27 ? 9.709 -4.515 0.714 1.00 0.00 ? 27 HIS A ND1 15 ATOM 20317 C CD2 . HIS A 1 27 ? 7.737 -5.347 1.147 1.00 0.00 ? 27 HIS A CD2 15 ATOM 20318 C CE1 . HIS A 1 27 ? 9.779 -5.818 0.502 1.00 0.00 ? 27 HIS A CE1 15 ATOM 20319 N NE2 . HIS A 1 27 ? 8.597 -6.345 0.759 1.00 0.00 ? 27 HIS A NE2 15 ATOM 20320 H H . HIS A 1 27 ? 6.793 -2.342 3.626 1.00 0.00 ? 27 HIS A H 15 ATOM 20321 H HA . HIS A 1 27 ? 9.483 -2.887 3.001 1.00 0.00 ? 27 HIS A HA 15 ATOM 20322 H HB2 . HIS A 1 27 ? 6.946 -2.783 1.592 1.00 0.00 ? 27 HIS A HB2 15 ATOM 20323 H HB3 . HIS A 1 27 ? 8.259 -2.160 0.599 1.00 0.00 ? 27 HIS A HB3 15 ATOM 20324 H HD1 . HIS A 1 27 ? 10.453 -3.888 0.597 1.00 0.00 ? 27 HIS A HD1 15 ATOM 20325 H HD2 . HIS A 1 27 ? 6.698 -5.466 1.422 1.00 0.00 ? 27 HIS A HD2 15 ATOM 20326 H HE1 . HIS A 1 27 ? 10.656 -6.358 0.176 1.00 0.00 ? 27 HIS A HE1 15 ATOM 20327 H HE2 . HIS A 1 27 ? 8.371 -7.295 0.682 1.00 0.00 ? 27 HIS A HE2 15 ATOM 20328 N N . LYS A 1 28 ? 8.565 0.204 2.753 1.00 0.00 ? 28 LYS A N 15 ATOM 20329 C CA . LYS A 1 28 ? 9.021 1.569 2.521 1.00 0.00 ? 28 LYS A CA 15 ATOM 20330 C C . LYS A 1 28 ? 10.050 1.980 3.566 1.00 0.00 ? 28 LYS A C 15 ATOM 20331 O O . LYS A 1 28 ? 10.910 2.819 3.305 1.00 0.00 ? 28 LYS A O 15 ATOM 20332 C CB . LYS A 1 28 ? 7.835 2.535 2.554 1.00 0.00 ? 28 LYS A CB 15 ATOM 20333 C CG . LYS A 1 28 ? 8.222 3.982 2.288 1.00 0.00 ? 28 LYS A CG 15 ATOM 20334 C CD . LYS A 1 28 ? 7.062 4.926 2.560 1.00 0.00 ? 28 LYS A CD 15 ATOM 20335 C CE . LYS A 1 28 ? 7.294 5.745 3.819 1.00 0.00 ? 28 LYS A CE 15 ATOM 20336 N NZ . LYS A 1 28 ? 6.066 6.472 4.245 1.00 0.00 ? 28 LYS A NZ 15 ATOM 20337 H H . LYS A 1 28 ? 7.700 0.061 3.189 1.00 0.00 ? 28 LYS A H 15 ATOM 20338 H HA . LYS A 1 28 ? 9.480 1.606 1.545 1.00 0.00 ? 28 LYS A HA 15 ATOM 20339 H HB2 . LYS A 1 28 ? 7.117 2.234 1.807 1.00 0.00 ? 28 LYS A HB2 15 ATOM 20340 H HB3 . LYS A 1 28 ? 7.371 2.484 3.528 1.00 0.00 ? 28 LYS A HB3 15 ATOM 20341 H HG2 . LYS A 1 28 ? 9.047 4.248 2.932 1.00 0.00 ? 28 LYS A HG2 15 ATOM 20342 H HG3 . LYS A 1 28 ? 8.522 4.080 1.256 1.00 0.00 ? 28 LYS A HG3 15 ATOM 20343 H HD2 . LYS A 1 28 ? 6.954 5.599 1.721 1.00 0.00 ? 28 LYS A HD2 15 ATOM 20344 H HD3 . LYS A 1 28 ? 6.158 4.347 2.678 1.00 0.00 ? 28 LYS A HD3 15 ATOM 20345 H HE2 . LYS A 1 28 ? 7.602 5.080 4.613 1.00 0.00 ? 28 LYS A HE2 15 ATOM 20346 H HE3 . LYS A 1 28 ? 8.079 6.462 3.626 1.00 0.00 ? 28 LYS A HE3 15 ATOM 20347 H HZ1 . LYS A 1 28 ? 5.226 5.882 4.077 1.00 0.00 ? 28 LYS A HZ1 15 ATOM 20348 H HZ2 . LYS A 1 28 ? 6.119 6.700 5.258 1.00 0.00 ? 28 LYS A HZ2 15 ATOM 20349 H HZ3 . LYS A 1 28 ? 5.969 7.356 3.706 1.00 0.00 ? 28 LYS A HZ3 15 ATOM 20350 N N . GLN A 1 29 ? 9.957 1.385 4.749 1.00 0.00 ? 29 GLN A N 15 ATOM 20351 C CA . GLN A 1 29 ? 10.884 1.691 5.830 1.00 0.00 ? 29 GLN A CA 15 ATOM 20352 C C . GLN A 1 29 ? 12.249 1.074 5.557 1.00 0.00 ? 29 GLN A C 15 ATOM 20353 O O . GLN A 1 29 ? 13.284 1.675 5.844 1.00 0.00 ? 29 GLN A O 15 ATOM 20354 C CB . GLN A 1 29 ? 10.336 1.179 7.163 1.00 0.00 ? 29 GLN A CB 15 ATOM 20355 C CG . GLN A 1 29 ? 10.733 2.040 8.352 1.00 0.00 ? 29 GLN A CG 15 ATOM 20356 C CD . GLN A 1 29 ? 9.573 2.309 9.290 1.00 0.00 ? 29 GLN A CD 15 ATOM 20357 O OE1 . GLN A 1 29 ? 9.394 3.427 9.770 1.00 0.00 ? 29 GLN A OE1 15 ATOM 20358 N NE2 . GLN A 1 29 ? 8.777 1.279 9.557 1.00 0.00 ? 29 GLN A NE2 15 ATOM 20359 H H . GLN A 1 29 ? 9.251 0.722 4.897 1.00 0.00 ? 29 GLN A H 15 ATOM 20360 H HA . GLN A 1 29 ? 10.991 2.764 5.881 1.00 0.00 ? 29 GLN A HA 15 ATOM 20361 H HB2 . GLN A 1 29 ? 9.258 1.152 7.110 1.00 0.00 ? 29 GLN A HB2 15 ATOM 20362 H HB3 . GLN A 1 29 ? 10.705 0.178 7.331 1.00 0.00 ? 29 GLN A HB3 15 ATOM 20363 H HG2 . GLN A 1 29 ? 11.510 1.533 8.902 1.00 0.00 ? 29 GLN A HG2 15 ATOM 20364 H HG3 . GLN A 1 29 ? 11.108 2.984 7.987 1.00 0.00 ? 29 GLN A HG3 15 ATOM 20365 H HE21 . GLN A 1 29 ? 8.980 0.417 9.139 1.00 0.00 ? 29 GLN A HE21 15 ATOM 20366 H HE22 . GLN A 1 29 ? 8.019 1.424 10.160 1.00 0.00 ? 29 GLN A HE22 15 ATOM 20367 N N . SER A 1 30 ? 12.243 -0.131 4.997 1.00 0.00 ? 30 SER A N 15 ATOM 20368 C CA . SER A 1 30 ? 13.481 -0.830 4.682 1.00 0.00 ? 30 SER A CA 15 ATOM 20369 C C . SER A 1 30 ? 14.194 -0.170 3.504 1.00 0.00 ? 30 SER A C 15 ATOM 20370 O O . SER A 1 30 ? 15.411 0.015 3.529 1.00 0.00 ? 30 SER A O 15 ATOM 20371 C CB . SER A 1 30 ? 13.195 -2.298 4.361 1.00 0.00 ? 30 SER A CB 15 ATOM 20372 O OG . SER A 1 30 ? 12.552 -2.431 3.105 1.00 0.00 ? 30 SER A OG 15 ATOM 20373 H H . SER A 1 30 ? 11.383 -0.558 4.791 1.00 0.00 ? 30 SER A H 15 ATOM 20374 H HA . SER A 1 30 ? 14.121 -0.779 5.549 1.00 0.00 ? 30 SER A HA 15 ATOM 20375 H HB2 . SER A 1 30 ? 14.126 -2.846 4.333 1.00 0.00 ? 30 SER A HB2 15 ATOM 20376 H HB3 . SER A 1 30 ? 12.557 -2.714 5.126 1.00 0.00 ? 30 SER A HB3 15 ATOM 20377 H HG . SER A 1 30 ? 12.470 -3.362 2.884 1.00 0.00 ? 30 SER A HG 15 ATOM 20378 N N . ILE A 1 31 ? 13.430 0.183 2.475 1.00 0.00 ? 31 ILE A N 15 ATOM 20379 C CA . ILE A 1 31 ? 13.993 0.817 1.292 1.00 0.00 ? 31 ILE A CA 15 ATOM 20380 C C . ILE A 1 31 ? 14.358 2.275 1.564 1.00 0.00 ? 31 ILE A C 15 ATOM 20381 O O . ILE A 1 31 ? 15.224 2.843 0.899 1.00 0.00 ? 31 ILE A O 15 ATOM 20382 C CB . ILE A 1 31 ? 13.018 0.733 0.101 1.00 0.00 ? 31 ILE A CB 15 ATOM 20383 C CG1 . ILE A 1 31 ? 13.762 1.028 -1.220 1.00 0.00 ? 31 ILE A CG1 15 ATOM 20384 C CG2 . ILE A 1 31 ? 11.811 1.647 0.321 1.00 0.00 ? 31 ILE A CG2 15 ATOM 20385 C CD1 . ILE A 1 31 ? 13.419 2.350 -1.888 1.00 0.00 ? 31 ILE A CD1 15 ATOM 20386 H H . ILE A 1 31 ? 12.463 0.010 2.509 1.00 0.00 ? 31 ILE A H 15 ATOM 20387 H HA . ILE A 1 31 ? 14.894 0.280 1.028 1.00 0.00 ? 31 ILE A HA 15 ATOM 20388 H HB . ILE A 1 31 ? 12.647 -0.279 0.064 1.00 0.00 ? 31 ILE A HB 15 ATOM 20389 H HG12 . ILE A 1 31 ? 14.823 1.032 -1.028 1.00 0.00 ? 31 ILE A HG12 15 ATOM 20390 H HG13 . ILE A 1 31 ? 13.540 0.239 -1.924 1.00 0.00 ? 31 ILE A HG13 15 ATOM 20391 H HG21 . ILE A 1 31 ? 11.445 1.523 1.329 1.00 0.00 ? 31 ILE A HG21 15 ATOM 20392 H HG22 . ILE A 1 31 ? 12.108 2.676 0.169 1.00 0.00 ? 31 ILE A HG22 15 ATOM 20393 H HG23 . ILE A 1 31 ? 11.032 1.390 -0.380 1.00 0.00 ? 31 ILE A HG23 15 ATOM 20394 H HD11 . ILE A 1 31 ? 13.449 3.141 -1.155 1.00 0.00 ? 31 ILE A HD11 15 ATOM 20395 H HD12 . ILE A 1 31 ? 14.137 2.553 -2.669 1.00 0.00 ? 31 ILE A HD12 15 ATOM 20396 H HD13 . ILE A 1 31 ? 12.429 2.289 -2.315 1.00 0.00 ? 31 ILE A HD13 15 ATOM 20397 N N . LYS A 1 32 ? 13.701 2.871 2.555 1.00 0.00 ? 32 LYS A N 15 ATOM 20398 C CA . LYS A 1 32 ? 13.968 4.256 2.919 1.00 0.00 ? 32 LYS A CA 15 ATOM 20399 C C . LYS A 1 32 ? 15.187 4.341 3.831 1.00 0.00 ? 32 LYS A C 15 ATOM 20400 O O . LYS A 1 32 ? 15.875 5.360 3.873 1.00 0.00 ? 32 LYS A O 15 ATOM 20401 C CB . LYS A 1 32 ? 12.753 4.878 3.611 1.00 0.00 ? 32 LYS A CB 15 ATOM 20402 C CG . LYS A 1 32 ? 12.905 6.369 3.881 1.00 0.00 ? 32 LYS A CG 15 ATOM 20403 C CD . LYS A 1 32 ? 11.896 6.875 4.906 1.00 0.00 ? 32 LYS A CD 15 ATOM 20404 C CE . LYS A 1 32 ? 10.488 6.362 4.633 1.00 0.00 ? 32 LYS A CE 15 ATOM 20405 N NZ . LYS A 1 32 ? 9.454 7.202 5.296 1.00 0.00 ? 32 LYS A NZ 15 ATOM 20406 H H . LYS A 1 32 ? 13.029 2.364 3.058 1.00 0.00 ? 32 LYS A H 15 ATOM 20407 H HA . LYS A 1 32 ? 14.175 4.804 2.012 1.00 0.00 ? 32 LYS A HA 15 ATOM 20408 H HB2 . LYS A 1 32 ? 11.886 4.735 2.983 1.00 0.00 ? 32 LYS A HB2 15 ATOM 20409 H HB3 . LYS A 1 32 ? 12.592 4.377 4.553 1.00 0.00 ? 32 LYS A HB3 15 ATOM 20410 H HG2 . LYS A 1 32 ? 13.899 6.554 4.255 1.00 0.00 ? 32 LYS A HG2 15 ATOM 20411 H HG3 . LYS A 1 32 ? 12.763 6.906 2.955 1.00 0.00 ? 32 LYS A HG3 15 ATOM 20412 H HD2 . LYS A 1 32 ? 12.201 6.547 5.887 1.00 0.00 ? 32 LYS A HD2 15 ATOM 20413 H HD3 . LYS A 1 32 ? 11.885 7.955 4.876 1.00 0.00 ? 32 LYS A HD3 15 ATOM 20414 H HE2 . LYS A 1 32 ? 10.317 6.367 3.567 1.00 0.00 ? 32 LYS A HE2 15 ATOM 20415 H HE3 . LYS A 1 32 ? 10.411 5.350 5.004 1.00 0.00 ? 32 LYS A HE3 15 ATOM 20416 H HZ1 . LYS A 1 32 ? 9.882 7.757 6.065 1.00 0.00 ? 32 LYS A HZ1 15 ATOM 20417 H HZ2 . LYS A 1 32 ? 9.030 7.856 4.608 1.00 0.00 ? 32 LYS A HZ2 15 ATOM 20418 H HZ3 . LYS A 1 32 ? 8.704 6.600 5.693 1.00 0.00 ? 32 LYS A HZ3 15 ATOM 20419 N N . LYS A 1 33 ? 15.451 3.257 4.555 1.00 0.00 ? 33 LYS A N 15 ATOM 20420 C CA . LYS A 1 33 ? 16.591 3.202 5.461 1.00 0.00 ? 33 LYS A CA 15 ATOM 20421 C C . LYS A 1 33 ? 17.886 3.025 4.677 1.00 0.00 ? 33 LYS A C 15 ATOM 20422 O O . LYS A 1 33 ? 18.901 3.651 4.986 1.00 0.00 ? 33 LYS A O 15 ATOM 20423 C CB . LYS A 1 33 ? 16.423 2.057 6.460 1.00 0.00 ? 33 LYS A CB 15 ATOM 20424 C CG . LYS A 1 33 ? 16.618 2.478 7.907 1.00 0.00 ? 33 LYS A CG 15 ATOM 20425 C CD . LYS A 1 33 ? 15.310 2.928 8.537 1.00 0.00 ? 33 LYS A CD 15 ATOM 20426 C CE . LYS A 1 33 ? 15.008 2.148 9.807 1.00 0.00 ? 33 LYS A CE 15 ATOM 20427 N NZ . LYS A 1 33 ? 13.546 1.925 9.987 1.00 0.00 ? 33 LYS A NZ 15 ATOM 20428 H H . LYS A 1 33 ? 14.868 2.474 4.475 1.00 0.00 ? 33 LYS A H 15 ATOM 20429 H HA . LYS A 1 33 ? 16.633 4.138 5.999 1.00 0.00 ? 33 LYS A HA 15 ATOM 20430 H HB2 . LYS A 1 33 ? 15.428 1.648 6.358 1.00 0.00 ? 33 LYS A HB2 15 ATOM 20431 H HB3 . LYS A 1 33 ? 17.144 1.286 6.232 1.00 0.00 ? 33 LYS A HB3 15 ATOM 20432 H HG2 . LYS A 1 33 ? 17.007 1.641 8.467 1.00 0.00 ? 33 LYS A HG2 15 ATOM 20433 H HG3 . LYS A 1 33 ? 17.324 3.295 7.942 1.00 0.00 ? 33 LYS A HG3 15 ATOM 20434 H HD2 . LYS A 1 33 ? 15.380 3.978 8.780 1.00 0.00 ? 33 LYS A HD2 15 ATOM 20435 H HD3 . LYS A 1 33 ? 14.508 2.771 7.830 1.00 0.00 ? 33 LYS A HD3 15 ATOM 20436 H HE2 . LYS A 1 33 ? 15.505 1.191 9.754 1.00 0.00 ? 33 LYS A HE2 15 ATOM 20437 H HE3 . LYS A 1 33 ? 15.385 2.704 10.653 1.00 0.00 ? 33 LYS A HE3 15 ATOM 20438 H HZ1 . LYS A 1 33 ? 13.009 2.691 9.529 1.00 0.00 ? 33 LYS A HZ1 15 ATOM 20439 H HZ2 . LYS A 1 33 ? 13.268 1.019 9.561 1.00 0.00 ? 33 LYS A HZ2 15 ATOM 20440 H HZ3 . LYS A 1 33 ? 13.309 1.907 11.000 1.00 0.00 ? 33 LYS A HZ3 15 ATOM 20441 N N . LEU A 1 34 ? 17.843 2.171 3.660 1.00 0.00 ? 34 LEU A N 15 ATOM 20442 C CA . LEU A 1 34 ? 19.014 1.917 2.829 1.00 0.00 ? 34 LEU A CA 15 ATOM 20443 C C . LEU A 1 34 ? 19.293 3.102 1.912 1.00 0.00 ? 34 LEU A C 15 ATOM 20444 O O . LEU A 1 34 ? 20.448 3.444 1.657 1.00 0.00 ? 34 LEU A O 15 ATOM 20445 C CB . LEU A 1 34 ? 18.811 0.648 1.999 1.00 0.00 ? 34 LEU A CB 15 ATOM 20446 C CG . LEU A 1 34 ? 19.085 -0.662 2.740 1.00 0.00 ? 34 LEU A CG 15 ATOM 20447 C CD1 . LEU A 1 34 ? 18.397 -1.825 2.042 1.00 0.00 ? 34 LEU A CD1 15 ATOM 20448 C CD2 . LEU A 1 34 ? 20.583 -0.910 2.843 1.00 0.00 ? 34 LEU A CD2 15 ATOM 20449 H H . LEU A 1 34 ? 17.002 1.704 3.460 1.00 0.00 ? 34 LEU A H 15 ATOM 20450 H HA . LEU A 1 34 ? 19.860 1.776 3.484 1.00 0.00 ? 34 LEU A HA 15 ATOM 20451 H HB2 . LEU A 1 34 ? 17.790 0.632 1.646 1.00 0.00 ? 34 LEU A HB2 15 ATOM 20452 H HB3 . LEU A 1 34 ? 19.468 0.694 1.143 1.00 0.00 ? 34 LEU A HB3 15 ATOM 20453 H HG . LEU A 1 34 ? 18.687 -0.591 3.742 1.00 0.00 ? 34 LEU A HG 15 ATOM 20454 H HD11 . LEU A 1 34 ? 18.348 -1.630 0.981 1.00 0.00 ? 34 LEU A HD11 15 ATOM 20455 H HD12 . LEU A 1 34 ? 18.957 -2.731 2.216 1.00 0.00 ? 34 LEU A HD12 15 ATOM 20456 H HD13 . LEU A 1 34 ? 17.397 -1.938 2.434 1.00 0.00 ? 34 LEU A HD13 15 ATOM 20457 H HD21 . LEU A 1 34 ? 21.053 -0.671 1.901 1.00 0.00 ? 34 LEU A HD21 15 ATOM 20458 H HD22 . LEU A 1 34 ? 20.999 -0.287 3.621 1.00 0.00 ? 34 LEU A HD22 15 ATOM 20459 H HD23 . LEU A 1 34 ? 20.760 -1.948 3.080 1.00 0.00 ? 34 LEU A HD23 15 ATOM 20460 N N . LYS A 1 35 ? 18.227 3.727 1.419 1.00 0.00 ? 35 LYS A N 15 ATOM 20461 C CA . LYS A 1 35 ? 18.358 4.878 0.533 1.00 0.00 ? 35 LYS A CA 15 ATOM 20462 C C . LYS A 1 35 ? 18.727 6.129 1.322 1.00 0.00 ? 35 LYS A C 15 ATOM 20463 O O . LYS A 1 35 ? 19.342 7.053 0.789 1.00 0.00 ? 35 LYS A O 15 ATOM 20464 C CB . LYS A 1 35 ? 17.055 5.108 -0.235 1.00 0.00 ? 35 LYS A CB 15 ATOM 20465 C CG . LYS A 1 35 ? 17.084 6.340 -1.124 1.00 0.00 ? 35 LYS A CG 15 ATOM 20466 C CD . LYS A 1 35 ? 15.883 7.237 -0.871 1.00 0.00 ? 35 LYS A CD 15 ATOM 20467 C CE . LYS A 1 35 ? 14.579 6.528 -1.200 1.00 0.00 ? 35 LYS A CE 15 ATOM 20468 N NZ . LYS A 1 35 ? 13.706 7.352 -2.081 1.00 0.00 ? 35 LYS A NZ 15 ATOM 20469 H H . LYS A 1 35 ? 17.332 3.408 1.661 1.00 0.00 ? 35 LYS A H 15 ATOM 20470 H HA . LYS A 1 35 ? 19.149 4.666 -0.171 1.00 0.00 ? 35 LYS A HA 15 ATOM 20471 H HB2 . LYS A 1 35 ? 16.860 4.247 -0.856 1.00 0.00 ? 35 LYS A HB2 15 ATOM 20472 H HB3 . LYS A 1 35 ? 16.248 5.221 0.474 1.00 0.00 ? 35 LYS A HB3 15 ATOM 20473 H HG2 . LYS A 1 35 ? 17.986 6.898 -0.922 1.00 0.00 ? 35 LYS A HG2 15 ATOM 20474 H HG3 . LYS A 1 35 ? 17.076 6.027 -2.158 1.00 0.00 ? 35 LYS A HG3 15 ATOM 20475 H HD2 . LYS A 1 35 ? 15.872 7.524 0.169 1.00 0.00 ? 35 LYS A HD2 15 ATOM 20476 H HD3 . LYS A 1 35 ? 15.968 8.119 -1.489 1.00 0.00 ? 35 LYS A HD3 15 ATOM 20477 H HE2 . LYS A 1 35 ? 14.807 5.598 -1.701 1.00 0.00 ? 35 LYS A HE2 15 ATOM 20478 H HE3 . LYS A 1 35 ? 14.055 6.321 -0.279 1.00 0.00 ? 35 LYS A HE3 15 ATOM 20479 H HZ1 . LYS A 1 35 ? 13.718 8.344 -1.769 1.00 0.00 ? 35 LYS A HZ1 15 ATOM 20480 H HZ2 . LYS A 1 35 ? 14.041 7.304 -3.064 1.00 0.00 ? 35 LYS A HZ2 15 ATOM 20481 H HZ3 . LYS A 1 35 ? 12.727 7.000 -2.044 1.00 0.00 ? 35 LYS A HZ3 15 ATOM 20482 N N . GLN A 1 36 ? 18.350 6.151 2.596 1.00 0.00 ? 36 GLN A N 15 ATOM 20483 C CA . GLN A 1 36 ? 18.645 7.287 3.460 1.00 0.00 ? 36 GLN A CA 15 ATOM 20484 C C . GLN A 1 36 ? 20.099 7.254 3.915 1.00 0.00 ? 36 GLN A C 15 ATOM 20485 O O . GLN A 1 36 ? 20.715 8.296 4.139 1.00 0.00 ? 36 GLN A O 15 ATOM 20486 C CB . GLN A 1 36 ? 17.716 7.288 4.675 1.00 0.00 ? 36 GLN A CB 15 ATOM 20487 C CG . GLN A 1 36 ? 16.369 7.942 4.412 1.00 0.00 ? 36 GLN A CG 15 ATOM 20488 C CD . GLN A 1 36 ? 16.276 9.338 4.997 1.00 0.00 ? 36 GLN A CD 15 ATOM 20489 O OE1 . GLN A 1 36 ? 17.290 9.959 5.316 1.00 0.00 ? 36 GLN A OE1 15 ATOM 20490 N NE2 . GLN A 1 36 ? 15.055 9.837 5.141 1.00 0.00 ? 36 GLN A NE2 15 ATOM 20491 H H . GLN A 1 36 ? 17.865 5.384 2.964 1.00 0.00 ? 36 GLN A H 15 ATOM 20492 H HA . GLN A 1 36 ? 18.479 8.189 2.889 1.00 0.00 ? 36 GLN A HA 15 ATOM 20493 H HB2 . GLN A 1 36 ? 17.541 6.267 4.981 1.00 0.00 ? 36 GLN A HB2 15 ATOM 20494 H HB3 . GLN A 1 36 ? 18.198 7.818 5.482 1.00 0.00 ? 36 GLN A HB3 15 ATOM 20495 H HG2 . GLN A 1 36 ? 16.217 8.005 3.344 1.00 0.00 ? 36 GLN A HG2 15 ATOM 20496 H HG3 . GLN A 1 36 ? 15.595 7.331 4.850 1.00 0.00 ? 36 GLN A HG3 15 ATOM 20497 H HE21 . GLN A 1 36 ? 14.293 9.286 4.866 1.00 0.00 ? 36 GLN A HE21 15 ATOM 20498 H HE22 . GLN A 1 36 ? 14.964 10.738 5.517 1.00 0.00 ? 36 GLN A HE22 15 ATOM 20499 N N . SER A 1 37 ? 20.644 6.048 4.047 1.00 0.00 ? 37 SER A N 15 ATOM 20500 C CA . SER A 1 37 ? 22.027 5.878 4.472 1.00 0.00 ? 37 SER A CA 15 ATOM 20501 C C . SER A 1 37 ? 22.988 6.351 3.386 1.00 0.00 ? 37 SER A C 15 ATOM 20502 O O . SER A 1 37 ? 24.086 6.824 3.678 1.00 0.00 ? 37 SER A O 15 ATOM 20503 C CB . SER A 1 37 ? 22.303 4.412 4.810 1.00 0.00 ? 37 SER A CB 15 ATOM 20504 O OG . SER A 1 37 ? 21.538 3.992 5.926 1.00 0.00 ? 37 SER A OG 15 ATOM 20505 H H . SER A 1 37 ? 20.102 5.254 3.852 1.00 0.00 ? 37 SER A H 15 ATOM 20506 H HA . SER A 1 37 ? 22.179 6.478 5.358 1.00 0.00 ? 37 SER A HA 15 ATOM 20507 H HB2 . SER A 1 37 ? 22.047 3.795 3.961 1.00 0.00 ? 37 SER A HB2 15 ATOM 20508 H HB3 . SER A 1 37 ? 23.351 4.289 5.040 1.00 0.00 ? 37 SER A HB3 15 ATOM 20509 H HG . SER A 1 37 ? 21.822 4.472 6.707 1.00 0.00 ? 37 SER A HG 15 ATOM 20510 N N . GLU A 1 38 ? 22.563 6.224 2.133 1.00 0.00 ? 38 GLU A N 15 ATOM 20511 C CA . GLU A 1 38 ? 23.385 6.642 1.002 1.00 0.00 ? 38 GLU A CA 15 ATOM 20512 C C . GLU A 1 38 ? 23.624 8.148 1.034 1.00 0.00 ? 38 GLU A C 15 ATOM 20513 O O . GLU A 1 38 ? 24.685 8.626 0.636 1.00 0.00 ? 38 GLU A O 15 ATOM 20514 C CB . GLU A 1 38 ? 22.715 6.247 -0.314 1.00 0.00 ? 38 GLU A CB 15 ATOM 20515 C CG . GLU A 1 38 ? 23.541 6.591 -1.544 1.00 0.00 ? 38 GLU A CG 15 ATOM 20516 C CD . GLU A 1 38 ? 23.233 7.973 -2.084 1.00 0.00 ? 38 GLU A CD 15 ATOM 20517 O OE1 . GLU A 1 38 ? 22.251 8.108 -2.843 1.00 0.00 ? 38 GLU A OE1 15 ATOM 20518 O OE2 . GLU A 1 38 ? 23.975 8.920 -1.748 1.00 0.00 ? 38 GLU A OE2 15 ATOM 20519 H H . GLU A 1 38 ? 21.676 5.842 1.965 1.00 0.00 ? 38 GLU A H 15 ATOM 20520 H HA . GLU A 1 38 ? 24.335 6.136 1.079 1.00 0.00 ? 38 GLU A HA 15 ATOM 20521 H HB2 . GLU A 1 38 ? 22.540 5.181 -0.311 1.00 0.00 ? 38 GLU A HB2 15 ATOM 20522 H HB3 . GLU A 1 38 ? 21.766 6.758 -0.391 1.00 0.00 ? 38 GLU A HB3 15 ATOM 20523 H HG2 . GLU A 1 38 ? 24.587 6.548 -1.282 1.00 0.00 ? 38 GLU A HG2 15 ATOM 20524 H HG3 . GLU A 1 38 ? 23.334 5.863 -2.316 1.00 0.00 ? 38 GLU A HG3 15 ATOM 20525 N N . ASP A 1 39 ? 22.629 8.889 1.510 1.00 0.00 ? 39 ASP A N 15 ATOM 20526 C CA . ASP A 1 39 ? 22.731 10.341 1.595 1.00 0.00 ? 39 ASP A CA 15 ATOM 20527 C C . ASP A 1 39 ? 21.960 10.871 2.800 1.00 0.00 ? 39 ASP A C 15 ATOM 20528 O O . ASP A 1 39 ? 21.127 11.768 2.671 1.00 0.00 ? 39 ASP A O 15 ATOM 20529 C CB . ASP A 1 39 ? 22.202 10.987 0.313 1.00 0.00 ? 39 ASP A CB 15 ATOM 20530 C CG . ASP A 1 39 ? 20.808 10.509 -0.043 1.00 0.00 ? 39 ASP A CG 15 ATOM 20531 O OD1 . ASP A 1 39 ? 19.830 11.108 0.454 1.00 0.00 ? 39 ASP A OD1 15 ATOM 20532 O OD2 . ASP A 1 39 ? 20.693 9.535 -0.816 1.00 0.00 ? 39 ASP A OD2 15 ATOM 20533 H H . ASP A 1 39 ? 21.807 8.449 1.814 1.00 0.00 ? 39 ASP A H 15 ATOM 20534 H HA . ASP A 1 39 ? 23.775 10.594 1.710 1.00 0.00 ? 39 ASP A HA 15 ATOM 20535 H HB2 . ASP A 1 39 ? 22.173 12.058 0.443 1.00 0.00 ? 39 ASP A HB2 15 ATOM 20536 H HB3 . ASP A 1 39 ? 22.865 10.745 -0.504 1.00 0.00 ? 39 ASP A HB3 15 ATOM 20537 N N . ASP A 1 40 ? 22.244 10.309 3.971 1.00 0.00 ? 40 ASP A N 15 ATOM 20538 C CA . ASP A 1 40 ? 21.577 10.725 5.200 1.00 0.00 ? 40 ASP A CA 15 ATOM 20539 C C . ASP A 1 40 ? 21.618 12.242 5.357 1.00 0.00 ? 40 ASP A C 15 ATOM 20540 O O . ASP A 1 40 ? 22.627 12.880 5.057 1.00 0.00 ? 40 ASP A O 15 ATOM 20541 C CB . ASP A 1 40 ? 22.233 10.057 6.412 1.00 0.00 ? 40 ASP A CB 15 ATOM 20542 C CG . ASP A 1 40 ? 21.438 10.264 7.686 1.00 0.00 ? 40 ASP A CG 15 ATOM 20543 O OD1 . ASP A 1 40 ? 21.090 11.424 7.987 1.00 0.00 ? 40 ASP A OD1 15 ATOM 20544 O OD2 . ASP A 1 40 ? 21.163 9.264 8.382 1.00 0.00 ? 40 ASP A OD2 15 ATOM 20545 H H . ASP A 1 40 ? 22.917 9.598 4.010 1.00 0.00 ? 40 ASP A H 15 ATOM 20546 H HA . ASP A 1 40 ? 20.546 10.409 5.141 1.00 0.00 ? 40 ASP A HA 15 ATOM 20547 H HB2 . ASP A 1 40 ? 22.316 8.996 6.229 1.00 0.00 ? 40 ASP A HB2 15 ATOM 20548 H HB3 . ASP A 1 40 ? 23.219 10.472 6.553 1.00 0.00 ? 40 ASP A HB3 15 ATOM 20549 N N . ASP A 1 41 ? 20.514 12.812 5.828 1.00 0.00 ? 41 ASP A N 15 ATOM 20550 C CA . ASP A 1 41 ? 20.424 14.254 6.025 1.00 0.00 ? 41 ASP A CA 15 ATOM 20551 C C . ASP A 1 41 ? 20.837 15.002 4.762 1.00 0.00 ? 41 ASP A C 15 ATOM 20552 O O . ASP A 1 41 ? 21.140 16.210 4.861 1.00 0.00 ? 41 ASP A O 15 ATOM 20553 C CB . ASP A 1 41 ? 21.305 14.687 7.198 1.00 0.00 ? 41 ASP A CB 15 ATOM 20554 C CG . ASP A 1 41 ? 20.748 15.896 7.924 1.00 0.00 ? 41 ASP A CG 15 ATOM 20555 O OD1 . ASP A 1 41 ? 19.851 15.717 8.774 1.00 0.00 ? 41 ASP A OD1 15 ATOM 20556 O OD2 . ASP A 1 41 ? 21.211 17.022 7.642 1.00 0.00 ? 41 ASP A OD2 15 ATOM 20557 O OXT . ASP A 1 41 ? 20.854 14.373 3.682 1.00 0.00 ? 41 ASP A OXT 15 ATOM 20558 H H . ASP A 1 41 ? 19.742 12.250 6.049 1.00 0.00 ? 41 ASP A H 15 ATOM 20559 H HA . ASP A 1 41 ? 19.396 14.494 6.251 1.00 0.00 ? 41 ASP A HA 15 ATOM 20560 H HB2 . ASP A 1 41 ? 21.382 13.872 7.902 1.00 0.00 ? 41 ASP A HB2 15 ATOM 20561 H HB3 . ASP A 1 41 ? 22.290 14.933 6.829 1.00 0.00 ? 41 ASP A HB3 15 ATOM 20562 N N . ALA B 1 1 ? 28.819 11.166 -1.177 1.00 0.00 ? 1 ALA B N 15 ATOM 20563 C CA . ALA B 1 1 ? 28.319 9.817 -0.803 1.00 0.00 ? 1 ALA B CA 15 ATOM 20564 C C . ALA B 1 1 ? 27.605 9.153 -1.975 1.00 0.00 ? 1 ALA B C 15 ATOM 20565 O O . ALA B 1 1 ? 26.872 9.805 -2.719 1.00 0.00 ? 1 ALA B O 15 ATOM 20566 C CB . ALA B 1 1 ? 27.388 9.914 0.396 1.00 0.00 ? 1 ALA B CB 15 ATOM 20567 H H1 . ALA B 1 1 ? 28.967 11.174 -2.206 1.00 0.00 ? 1 ALA B H1 15 ATOM 20568 H H2 . ALA B 1 1 ? 28.098 11.861 -0.895 1.00 0.00 ? 1 ALA B H2 15 ATOM 20569 H H3 . ALA B 1 1 ? 29.711 11.325 -0.668 1.00 0.00 ? 1 ALA B H3 15 ATOM 20570 H HA . ALA B 1 1 ? 29.166 9.208 -0.521 1.00 0.00 ? 1 ALA B HA 15 ATOM 20571 H HB1 . ALA B 1 1 ? 26.379 10.093 0.054 1.00 0.00 ? 1 ALA B HB1 15 ATOM 20572 H HB2 . ALA B 1 1 ? 27.702 10.729 1.031 1.00 0.00 ? 1 ALA B HB2 15 ATOM 20573 H HB3 . ALA B 1 1 ? 27.421 8.990 0.954 1.00 0.00 ? 1 ALA B HB3 15 ATOM 20574 N N . LEU B 1 2 ? 27.822 7.851 -2.133 1.00 0.00 ? 2 LEU B N 15 ATOM 20575 C CA . LEU B 1 2 ? 27.197 7.098 -3.214 1.00 0.00 ? 2 LEU B CA 15 ATOM 20576 C C . LEU B 1 2 ? 27.731 5.670 -3.258 1.00 0.00 ? 2 LEU B C 15 ATOM 20577 O O . LEU B 1 2 ? 28.912 5.445 -3.523 1.00 0.00 ? 2 LEU B O 15 ATOM 20578 C CB . LEU B 1 2 ? 27.445 7.788 -4.557 1.00 0.00 ? 2 LEU B CB 15 ATOM 20579 C CG . LEU B 1 2 ? 28.846 8.378 -4.733 1.00 0.00 ? 2 LEU B CG 15 ATOM 20580 C CD1 . LEU B 1 2 ? 29.585 7.671 -5.858 1.00 0.00 ? 2 LEU B CD1 15 ATOM 20581 C CD2 . LEU B 1 2 ? 28.765 9.873 -5.004 1.00 0.00 ? 2 LEU B CD2 15 ATOM 20582 H H . LEU B 1 2 ? 28.415 7.387 -1.507 1.00 0.00 ? 2 LEU B H 15 ATOM 20583 H HA . LEU B 1 2 ? 26.135 7.066 -3.027 1.00 0.00 ? 2 LEU B HA 15 ATOM 20584 H HB2 . LEU B 1 2 ? 27.280 7.067 -5.344 1.00 0.00 ? 2 LEU B HB2 15 ATOM 20585 H HB3 . LEU B 1 2 ? 26.726 8.586 -4.665 1.00 0.00 ? 2 LEU B HB3 15 ATOM 20586 H HG . LEU B 1 2 ? 29.408 8.233 -3.822 1.00 0.00 ? 2 LEU B HG 15 ATOM 20587 H HD11 . LEU B 1 2 ? 29.198 6.669 -5.968 1.00 0.00 ? 2 LEU B HD11 15 ATOM 20588 H HD12 . LEU B 1 2 ? 29.442 8.215 -6.781 1.00 0.00 ? 2 LEU B HD12 15 ATOM 20589 H HD13 . LEU B 1 2 ? 30.638 7.627 -5.625 1.00 0.00 ? 2 LEU B HD13 15 ATOM 20590 H HD21 . LEU B 1 2 ? 27.810 10.106 -5.451 1.00 0.00 ? 2 LEU B HD21 15 ATOM 20591 H HD22 . LEU B 1 2 ? 28.868 10.414 -4.074 1.00 0.00 ? 2 LEU B HD22 15 ATOM 20592 H HD23 . LEU B 1 2 ? 29.558 10.162 -5.678 1.00 0.00 ? 2 LEU B HD23 15 ATOM 20593 N N . LYS B 1 3 ? 26.852 4.707 -2.996 1.00 0.00 ? 3 LYS B N 15 ATOM 20594 C CA . LYS B 1 3 ? 27.235 3.299 -3.005 1.00 0.00 ? 3 LYS B CA 15 ATOM 20595 C C . LYS B 1 3 ? 26.440 2.526 -4.051 1.00 0.00 ? 3 LYS B C 15 ATOM 20596 O O . LYS B 1 3 ? 25.368 2.958 -4.476 1.00 0.00 ? 3 LYS B O 15 ATOM 20597 C CB . LYS B 1 3 ? 27.017 2.683 -1.622 1.00 0.00 ? 3 LYS B CB 15 ATOM 20598 C CG . LYS B 1 3 ? 27.864 3.318 -0.532 1.00 0.00 ? 3 LYS B CG 15 ATOM 20599 C CD . LYS B 1 3 ? 27.059 4.310 0.292 1.00 0.00 ? 3 LYS B CD 15 ATOM 20600 C CE . LYS B 1 3 ? 27.540 5.735 0.076 1.00 0.00 ? 3 LYS B CE 15 ATOM 20601 N NZ . LYS B 1 3 ? 27.303 6.590 1.272 1.00 0.00 ? 3 LYS B NZ 15 ATOM 20602 H H . LYS B 1 3 ? 25.925 4.949 -2.791 1.00 0.00 ? 3 LYS B H 15 ATOM 20603 H HA . LYS B 1 3 ? 28.284 3.244 -3.252 1.00 0.00 ? 3 LYS B HA 15 ATOM 20604 H HB2 . LYS B 1 3 ? 25.977 2.794 -1.351 1.00 0.00 ? 3 LYS B HB2 15 ATOM 20605 H HB3 . LYS B 1 3 ? 27.257 1.631 -1.668 1.00 0.00 ? 3 LYS B HB3 15 ATOM 20606 H HG2 . LYS B 1 3 ? 28.236 2.542 0.120 1.00 0.00 ? 3 LYS B HG2 15 ATOM 20607 H HG3 . LYS B 1 3 ? 28.694 3.836 -0.991 1.00 0.00 ? 3 LYS B HG3 15 ATOM 20608 H HD2 . LYS B 1 3 ? 26.020 4.244 0.004 1.00 0.00 ? 3 LYS B HD2 15 ATOM 20609 H HD3 . LYS B 1 3 ? 27.160 4.060 1.338 1.00 0.00 ? 3 LYS B HD3 15 ATOM 20610 H HE2 . LYS B 1 3 ? 28.599 5.715 -0.137 1.00 0.00 ? 3 LYS B HE2 15 ATOM 20611 H HE3 . LYS B 1 3 ? 27.012 6.155 -0.768 1.00 0.00 ? 3 LYS B HE3 15 ATOM 20612 H HZ1 . LYS B 1 3 ? 27.146 5.995 2.110 1.00 0.00 ? 3 LYS B HZ1 15 ATOM 20613 H HZ2 . LYS B 1 3 ? 28.127 7.200 1.444 1.00 0.00 ? 3 LYS B HZ2 15 ATOM 20614 H HZ3 . LYS B 1 3 ? 26.465 7.188 1.123 1.00 0.00 ? 3 LYS B HZ3 15 ATOM 20615 N N . LYS B 1 4 ? 26.972 1.379 -4.462 1.00 0.00 ? 4 LYS B N 15 ATOM 20616 C CA . LYS B 1 4 ? 26.312 0.543 -5.459 1.00 0.00 ? 4 LYS B CA 15 ATOM 20617 C C . LYS B 1 4 ? 25.509 -0.568 -4.791 1.00 0.00 ? 4 LYS B C 15 ATOM 20618 O O . LYS B 1 4 ? 24.327 -0.753 -5.082 1.00 0.00 ? 4 LYS B O 15 ATOM 20619 C CB . LYS B 1 4 ? 27.343 -0.059 -6.414 1.00 0.00 ? 4 LYS B CB 15 ATOM 20620 C CG . LYS B 1 4 ? 28.441 0.913 -6.815 1.00 0.00 ? 4 LYS B CG 15 ATOM 20621 C CD . LYS B 1 4 ? 27.865 2.206 -7.368 1.00 0.00 ? 4 LYS B CD 15 ATOM 20622 C CE . LYS B 1 4 ? 27.187 1.985 -8.711 1.00 0.00 ? 4 LYS B CE 15 ATOM 20623 N NZ . LYS B 1 4 ? 25.899 2.724 -8.811 1.00 0.00 ? 4 LYS B NZ 15 ATOM 20624 H H . LYS B 1 4 ? 27.829 1.087 -4.086 1.00 0.00 ? 4 LYS B H 15 ATOM 20625 H HA . LYS B 1 4 ? 25.636 1.171 -6.021 1.00 0.00 ? 4 LYS B HA 15 ATOM 20626 H HB2 . LYS B 1 4 ? 27.804 -0.911 -5.937 1.00 0.00 ? 4 LYS B HB2 15 ATOM 20627 H HB3 . LYS B 1 4 ? 26.838 -0.387 -7.311 1.00 0.00 ? 4 LYS B HB3 15 ATOM 20628 H HG2 . LYS B 1 4 ? 29.042 1.141 -5.947 1.00 0.00 ? 4 LYS B HG2 15 ATOM 20629 H HG3 . LYS B 1 4 ? 29.059 0.451 -7.572 1.00 0.00 ? 4 LYS B HG3 15 ATOM 20630 H HD2 . LYS B 1 4 ? 27.139 2.593 -6.669 1.00 0.00 ? 4 LYS B HD2 15 ATOM 20631 H HD3 . LYS B 1 4 ? 28.665 2.921 -7.492 1.00 0.00 ? 4 LYS B HD3 15 ATOM 20632 H HE2 . LYS B 1 4 ? 27.848 2.324 -9.494 1.00 0.00 ? 4 LYS B HE2 15 ATOM 20633 H HE3 . LYS B 1 4 ? 26.997 0.928 -8.833 1.00 0.00 ? 4 LYS B HE3 15 ATOM 20634 H HZ1 . LYS B 1 4 ? 25.779 3.348 -7.988 1.00 0.00 ? 4 LYS B HZ1 15 ATOM 20635 H HZ2 . LYS B 1 4 ? 25.885 3.303 -9.675 1.00 0.00 ? 4 LYS B HZ2 15 ATOM 20636 H HZ3 . LYS B 1 4 ? 25.103 2.054 -8.843 1.00 0.00 ? 4 LYS B HZ3 15 ATOM 20637 N N . HIS B 1 5 ? 26.157 -1.304 -3.894 1.00 0.00 ? 5 HIS B N 15 ATOM 20638 C CA . HIS B 1 5 ? 25.499 -2.396 -3.185 1.00 0.00 ? 5 HIS B CA 15 ATOM 20639 C C . HIS B 1 5 ? 24.190 -1.921 -2.563 1.00 0.00 ? 5 HIS B C 15 ATOM 20640 O O . HIS B 1 5 ? 23.181 -2.626 -2.597 1.00 0.00 ? 5 HIS B O 15 ATOM 20641 C CB . HIS B 1 5 ? 26.420 -2.960 -2.100 1.00 0.00 ? 5 HIS B CB 15 ATOM 20642 C CG . HIS B 1 5 ? 27.246 -1.917 -1.413 1.00 0.00 ? 5 HIS B CG 15 ATOM 20643 N ND1 . HIS B 1 5 ? 28.617 -1.832 -1.548 1.00 0.00 ? 5 HIS B ND1 15 ATOM 20644 C CD2 . HIS B 1 5 ? 26.890 -0.909 -0.582 1.00 0.00 ? 5 HIS B CD2 15 ATOM 20645 C CE1 . HIS B 1 5 ? 29.066 -0.819 -0.830 1.00 0.00 ? 5 HIS B CE1 15 ATOM 20646 N NE2 . HIS B 1 5 ? 28.039 -0.243 -0.235 1.00 0.00 ? 5 HIS B NE2 15 ATOM 20647 H H . HIS B 1 5 ? 27.097 -1.107 -3.703 1.00 0.00 ? 5 HIS B H 15 ATOM 20648 H HA . HIS B 1 5 ? 25.282 -3.173 -3.901 1.00 0.00 ? 5 HIS B HA 15 ATOM 20649 H HB2 . HIS B 1 5 ? 25.821 -3.454 -1.350 1.00 0.00 ? 5 HIS B HB2 15 ATOM 20650 H HB3 . HIS B 1 5 ? 27.092 -3.677 -2.547 1.00 0.00 ? 5 HIS B HB3 15 ATOM 20651 H HD1 . HIS B 1 5 ? 29.175 -2.427 -2.090 1.00 0.00 ? 5 HIS B HD1 15 ATOM 20652 H HD2 . HIS B 1 5 ? 25.888 -0.673 -0.253 1.00 0.00 ? 5 HIS B HD2 15 ATOM 20653 H HE1 . HIS B 1 5 ? 30.099 -0.513 -0.745 1.00 0.00 ? 5 HIS B HE1 15 ATOM 20654 H HE2 . HIS B 1 5 ? 28.091 0.535 0.358 1.00 0.00 ? 5 HIS B HE2 15 ATOM 20655 N N . HIS B 1 6 ? 24.214 -0.717 -2.001 1.00 0.00 ? 6 HIS B N 15 ATOM 20656 C CA . HIS B 1 6 ? 23.028 -0.146 -1.378 1.00 0.00 ? 6 HIS B CA 15 ATOM 20657 C C . HIS B 1 6 ? 21.928 0.047 -2.410 1.00 0.00 ? 6 HIS B C 15 ATOM 20658 O O . HIS B 1 6 ? 20.824 -0.459 -2.244 1.00 0.00 ? 6 HIS B O 15 ATOM 20659 C CB . HIS B 1 6 ? 23.362 1.186 -0.705 1.00 0.00 ? 6 HIS B CB 15 ATOM 20660 C CG . HIS B 1 6 ? 23.256 1.147 0.788 1.00 0.00 ? 6 HIS B CG 15 ATOM 20661 N ND1 . HIS B 1 6 ? 23.489 0.007 1.529 1.00 0.00 ? 6 HIS B ND1 15 ATOM 20662 C CD2 . HIS B 1 6 ? 22.940 2.115 1.680 1.00 0.00 ? 6 HIS B CD2 15 ATOM 20663 C CE1 . HIS B 1 6 ? 23.321 0.277 2.812 1.00 0.00 ? 6 HIS B CE1 15 ATOM 20664 N NE2 . HIS B 1 6 ? 22.989 1.548 2.929 1.00 0.00 ? 6 HIS B NE2 15 ATOM 20665 H H . HIS B 1 6 ? 25.047 -0.200 -2.010 1.00 0.00 ? 6 HIS B H 15 ATOM 20666 H HA . HIS B 1 6 ? 22.679 -0.845 -0.631 1.00 0.00 ? 6 HIS B HA 15 ATOM 20667 H HB2 . HIS B 1 6 ? 24.374 1.465 -0.957 1.00 0.00 ? 6 HIS B HB2 15 ATOM 20668 H HB3 . HIS B 1 6 ? 22.684 1.945 -1.068 1.00 0.00 ? 6 HIS B HB3 15 ATOM 20669 H HD1 . HIS B 1 6 ? 23.740 -0.869 1.169 1.00 0.00 ? 6 HIS B HD1 15 ATOM 20670 H HD2 . HIS B 1 6 ? 22.696 3.143 1.452 1.00 0.00 ? 6 HIS B HD2 15 ATOM 20671 H HE1 . HIS B 1 6 ? 23.437 -0.425 3.626 1.00 0.00 ? 6 HIS B HE1 15 ATOM 20672 H HE2 . HIS B 1 6 ? 22.807 2.010 3.775 1.00 0.00 ? 6 HIS B HE2 15 ATOM 20673 N N . GLU B 1 7 ? 22.239 0.771 -3.479 1.00 0.00 ? 7 GLU B N 15 ATOM 20674 C CA . GLU B 1 7 ? 21.276 1.014 -4.544 1.00 0.00 ? 7 GLU B CA 15 ATOM 20675 C C . GLU B 1 7 ? 20.689 -0.303 -5.049 1.00 0.00 ? 7 GLU B C 15 ATOM 20676 O O . GLU B 1 7 ? 19.594 -0.330 -5.608 1.00 0.00 ? 7 GLU B O 15 ATOM 20677 C CB . GLU B 1 7 ? 21.939 1.767 -5.700 1.00 0.00 ? 7 GLU B CB 15 ATOM 20678 C CG . GLU B 1 7 ? 21.188 3.022 -6.117 1.00 0.00 ? 7 GLU B CG 15 ATOM 20679 C CD . GLU B 1 7 ? 21.699 3.597 -7.424 1.00 0.00 ? 7 GLU B CD 15 ATOM 20680 O OE1 . GLU B 1 7 ? 21.834 2.828 -8.399 1.00 0.00 ? 7 GLU B OE1 15 ATOM 20681 O OE2 . GLU B 1 7 ? 21.962 4.817 -7.473 1.00 0.00 ? 7 GLU B OE2 15 ATOM 20682 H H . GLU B 1 7 ? 23.136 1.147 -3.557 1.00 0.00 ? 7 GLU B H 15 ATOM 20683 H HA . GLU B 1 7 ? 20.480 1.621 -4.141 1.00 0.00 ? 7 GLU B HA 15 ATOM 20684 H HB2 . GLU B 1 7 ? 22.937 2.052 -5.403 1.00 0.00 ? 7 GLU B HB2 15 ATOM 20685 H HB3 . GLU B 1 7 ? 22.001 1.110 -6.554 1.00 0.00 ? 7 GLU B HB3 15 ATOM 20686 H HG2 . GLU B 1 7 ? 20.143 2.780 -6.232 1.00 0.00 ? 7 GLU B HG2 15 ATOM 20687 H HG3 . GLU B 1 7 ? 21.302 3.767 -5.344 1.00 0.00 ? 7 GLU B HG3 15 ATOM 20688 N N . ASN B 1 8 ? 21.426 -1.395 -4.845 1.00 0.00 ? 8 ASN B N 15 ATOM 20689 C CA . ASN B 1 8 ? 20.975 -2.715 -5.275 1.00 0.00 ? 8 ASN B CA 15 ATOM 20690 C C . ASN B 1 8 ? 19.790 -3.177 -4.435 1.00 0.00 ? 8 ASN B C 15 ATOM 20691 O O . ASN B 1 8 ? 18.690 -3.384 -4.953 1.00 0.00 ? 8 ASN B O 15 ATOM 20692 C CB . ASN B 1 8 ? 22.117 -3.728 -5.173 1.00 0.00 ? 8 ASN B CB 15 ATOM 20693 C CG . ASN B 1 8 ? 22.575 -4.221 -6.531 1.00 0.00 ? 8 ASN B CG 15 ATOM 20694 O OD1 . ASN B 1 8 ? 21.939 -5.083 -7.138 1.00 0.00 ? 8 ASN B OD1 15 ATOM 20695 N ND2 . ASN B 1 8 ? 23.685 -3.676 -7.016 1.00 0.00 ? 8 ASN B ND2 15 ATOM 20696 H H . ASN B 1 8 ? 22.291 -1.312 -4.393 1.00 0.00 ? 8 ASN B H 15 ATOM 20697 H HA . ASN B 1 8 ? 20.662 -2.638 -6.306 1.00 0.00 ? 8 ASN B HA 15 ATOM 20698 H HB2 . ASN B 1 8 ? 22.957 -3.265 -4.677 1.00 0.00 ? 8 ASN B HB2 15 ATOM 20699 H HB3 . ASN B 1 8 ? 21.786 -4.577 -4.594 1.00 0.00 ? 8 ASN B HB3 15 ATOM 20700 H HD21 . ASN B 1 8 ? 24.139 -2.994 -6.477 1.00 0.00 ? 8 ASN B HD21 15 ATOM 20701 H HD22 . ASN B 1 8 ? 24.004 -3.977 -7.892 1.00 0.00 ? 8 ASN B HD22 15 ATOM 20702 N N . GLU B 1 9 ? 20.010 -3.317 -3.129 1.00 0.00 ? 9 GLU B N 15 ATOM 20703 C CA . GLU B 1 9 ? 18.944 -3.732 -2.224 1.00 0.00 ? 9 GLU B CA 15 ATOM 20704 C C . GLU B 1 9 ? 17.888 -2.631 -2.089 1.00 0.00 ? 9 GLU B C 15 ATOM 20705 O O . GLU B 1 9 ? 16.810 -2.852 -1.535 1.00 0.00 ? 9 GLU B O 15 ATOM 20706 C CB . GLU B 1 9 ? 19.517 -4.075 -0.848 1.00 0.00 ? 9 GLU B CB 15 ATOM 20707 C CG . GLU B 1 9 ? 20.474 -5.256 -0.864 1.00 0.00 ? 9 GLU B CG 15 ATOM 20708 C CD . GLU B 1 9 ? 20.830 -5.737 0.529 1.00 0.00 ? 9 GLU B CD 15 ATOM 20709 O OE1 . GLU B 1 9 ? 21.780 -5.187 1.123 1.00 0.00 ? 9 GLU B OE1 15 ATOM 20710 O OE2 . GLU B 1 9 ? 20.158 -6.667 1.025 1.00 0.00 ? 9 GLU B OE2 15 ATOM 20711 H H . GLU B 1 9 ? 20.904 -3.119 -2.765 1.00 0.00 ? 9 GLU B H 15 ATOM 20712 H HA . GLU B 1 9 ? 18.477 -4.613 -2.640 1.00 0.00 ? 9 GLU B HA 15 ATOM 20713 H HB2 . GLU B 1 9 ? 20.048 -3.215 -0.468 1.00 0.00 ? 9 GLU B HB2 15 ATOM 20714 H HB3 . GLU B 1 9 ? 18.703 -4.309 -0.178 1.00 0.00 ? 9 GLU B HB3 15 ATOM 20715 H HG2 . GLU B 1 9 ? 20.011 -6.071 -1.402 1.00 0.00 ? 9 GLU B HG2 15 ATOM 20716 H HG3 . GLU B 1 9 ? 21.382 -4.960 -1.369 1.00 0.00 ? 9 GLU B HG3 15 ATOM 20717 N N . ILE B 1 10 ? 18.208 -1.447 -2.607 1.00 0.00 ? 10 ILE B N 15 ATOM 20718 C CA . ILE B 1 10 ? 17.312 -0.305 -2.560 1.00 0.00 ? 10 ILE B CA 15 ATOM 20719 C C . ILE B 1 10 ? 16.387 -0.315 -3.772 1.00 0.00 ? 10 ILE B C 15 ATOM 20720 O O . ILE B 1 10 ? 15.255 0.164 -3.709 1.00 0.00 ? 10 ILE B O 15 ATOM 20721 C CB . ILE B 1 10 ? 18.135 1.005 -2.516 1.00 0.00 ? 10 ILE B CB 15 ATOM 20722 C CG1 . ILE B 1 10 ? 18.877 1.110 -1.184 1.00 0.00 ? 10 ILE B CG1 15 ATOM 20723 C CG2 . ILE B 1 10 ? 17.266 2.233 -2.735 1.00 0.00 ? 10 ILE B CG2 15 ATOM 20724 C CD1 . ILE B 1 10 ? 20.089 2.016 -1.236 1.00 0.00 ? 10 ILE B CD1 15 ATOM 20725 H H . ILE B 1 10 ? 19.071 -1.336 -3.039 1.00 0.00 ? 10 ILE B H 15 ATOM 20726 H HA . ILE B 1 10 ? 16.721 -0.374 -1.659 1.00 0.00 ? 10 ILE B HA 15 ATOM 20727 H HB . ILE B 1 10 ? 18.861 0.967 -3.313 1.00 0.00 ? 10 ILE B HB 15 ATOM 20728 H HG12 . ILE B 1 10 ? 18.205 1.501 -0.435 1.00 0.00 ? 10 ILE B HG12 15 ATOM 20729 H HG13 . ILE B 1 10 ? 19.211 0.127 -0.885 1.00 0.00 ? 10 ILE B HG13 15 ATOM 20730 H HG21 . ILE B 1 10 ? 16.664 2.095 -3.620 1.00 0.00 ? 10 ILE B HG21 15 ATOM 20731 H HG22 . ILE B 1 10 ? 16.626 2.380 -1.879 1.00 0.00 ? 10 ILE B HG22 15 ATOM 20732 H HG23 . ILE B 1 10 ? 17.902 3.097 -2.863 1.00 0.00 ? 10 ILE B HG23 15 ATOM 20733 H HD11 . ILE B 1 10 ? 20.499 2.010 -2.234 1.00 0.00 ? 10 ILE B HD11 15 ATOM 20734 H HD12 . ILE B 1 10 ? 19.797 3.021 -0.974 1.00 0.00 ? 10 ILE B HD12 15 ATOM 20735 H HD13 . ILE B 1 10 ? 20.832 1.663 -0.537 1.00 0.00 ? 10 ILE B HD13 15 ATOM 20736 N N . SER B 1 11 ? 16.877 -0.883 -4.868 1.00 0.00 ? 11 SER B N 15 ATOM 20737 C CA . SER B 1 11 ? 16.093 -0.980 -6.090 1.00 0.00 ? 11 SER B CA 15 ATOM 20738 C C . SER B 1 11 ? 15.107 -2.133 -5.980 1.00 0.00 ? 11 SER B C 15 ATOM 20739 O O . SER B 1 11 ? 14.019 -2.095 -6.554 1.00 0.00 ? 11 SER B O 15 ATOM 20740 C CB . SER B 1 11 ? 17.010 -1.184 -7.298 1.00 0.00 ? 11 SER B CB 15 ATOM 20741 O OG . SER B 1 11 ? 16.900 -0.105 -8.210 1.00 0.00 ? 11 SER B OG 15 ATOM 20742 H H . SER B 1 11 ? 17.780 -1.260 -4.849 1.00 0.00 ? 11 SER B H 15 ATOM 20743 H HA . SER B 1 11 ? 15.545 -0.058 -6.210 1.00 0.00 ? 11 SER B HA 15 ATOM 20744 H HB2 . SER B 1 11 ? 18.034 -1.253 -6.964 1.00 0.00 ? 11 SER B HB2 15 ATOM 20745 H HB3 . SER B 1 11 ? 16.734 -2.097 -7.806 1.00 0.00 ? 11 SER B HB3 15 ATOM 20746 H HG . SER B 1 11 ? 17.623 0.510 -8.067 1.00 0.00 ? 11 SER B HG 15 ATOM 20747 N N . HIS B 1 12 ? 15.495 -3.154 -5.221 1.00 0.00 ? 12 HIS B N 15 ATOM 20748 C CA . HIS B 1 12 ? 14.648 -4.316 -5.016 1.00 0.00 ? 12 HIS B CA 15 ATOM 20749 C C . HIS B 1 12 ? 13.529 -3.975 -4.026 1.00 0.00 ? 12 HIS B C 15 ATOM 20750 O O . HIS B 1 12 ? 12.354 -4.237 -4.292 1.00 0.00 ? 12 HIS B O 15 ATOM 20751 C CB . HIS B 1 12 ? 15.512 -5.512 -4.554 1.00 0.00 ? 12 HIS B CB 15 ATOM 20752 C CG . HIS B 1 12 ? 14.945 -6.336 -3.434 1.00 0.00 ? 12 HIS B CG 15 ATOM 20753 N ND1 . HIS B 1 12 ? 14.052 -7.368 -3.628 1.00 0.00 ? 12 HIS B ND1 15 ATOM 20754 C CD2 . HIS B 1 12 ? 15.160 -6.270 -2.102 1.00 0.00 ? 12 HIS B CD2 15 ATOM 20755 C CE1 . HIS B 1 12 ? 13.740 -7.901 -2.460 1.00 0.00 ? 12 HIS B CE1 15 ATOM 20756 N NE2 . HIS B 1 12 ? 14.400 -7.254 -1.519 1.00 0.00 ? 12 HIS B NE2 15 ATOM 20757 H H . HIS B 1 12 ? 16.372 -3.120 -4.780 1.00 0.00 ? 12 HIS B H 15 ATOM 20758 H HA . HIS B 1 12 ? 14.197 -4.560 -5.968 1.00 0.00 ? 12 HIS B HA 15 ATOM 20759 H HB2 . HIS B 1 12 ? 15.663 -6.173 -5.393 1.00 0.00 ? 12 HIS B HB2 15 ATOM 20760 H HB3 . HIS B 1 12 ? 16.474 -5.136 -4.232 1.00 0.00 ? 12 HIS B HB3 15 ATOM 20761 H HD1 . HIS B 1 12 ? 13.698 -7.664 -4.492 1.00 0.00 ? 12 HIS B HD1 15 ATOM 20762 H HD2 . HIS B 1 12 ? 15.807 -5.569 -1.594 1.00 0.00 ? 12 HIS B HD2 15 ATOM 20763 H HE1 . HIS B 1 12 ? 13.062 -8.727 -2.303 1.00 0.00 ? 12 HIS B HE1 15 ATOM 20764 H HE2 . HIS B 1 12 ? 14.353 -7.446 -0.559 1.00 0.00 ? 12 HIS B HE2 15 ATOM 20765 N N . HIS B 1 13 ? 13.890 -3.365 -2.897 1.00 0.00 ? 13 HIS B N 15 ATOM 20766 C CA . HIS B 1 13 ? 12.893 -2.980 -1.907 1.00 0.00 ? 13 HIS B CA 15 ATOM 20767 C C . HIS B 1 13 ? 11.980 -1.910 -2.486 1.00 0.00 ? 13 HIS B C 15 ATOM 20768 O O . HIS B 1 13 ? 10.818 -1.795 -2.100 1.00 0.00 ? 13 HIS B O 15 ATOM 20769 C CB . HIS B 1 13 ? 13.547 -2.460 -0.627 1.00 0.00 ? 13 HIS B CB 15 ATOM 20770 C CG . HIS B 1 13 ? 14.433 -3.450 0.055 1.00 0.00 ? 13 HIS B CG 15 ATOM 20771 N ND1 . HIS B 1 13 ? 14.200 -4.809 0.046 1.00 0.00 ? 13 HIS B ND1 15 ATOM 20772 C CD2 . HIS B 1 13 ? 15.555 -3.268 0.786 1.00 0.00 ? 13 HIS B CD2 15 ATOM 20773 C CE1 . HIS B 1 13 ? 15.142 -5.420 0.742 1.00 0.00 ? 13 HIS B CE1 15 ATOM 20774 N NE2 . HIS B 1 13 ? 15.976 -4.506 1.201 1.00 0.00 ? 13 HIS B NE2 15 ATOM 20775 H H . HIS B 1 13 ? 14.837 -3.157 -2.736 1.00 0.00 ? 13 HIS B H 15 ATOM 20776 H HA . HIS B 1 13 ? 12.302 -3.855 -1.673 1.00 0.00 ? 13 HIS B HA 15 ATOM 20777 H HB2 . HIS B 1 13 ? 14.142 -1.591 -0.863 1.00 0.00 ? 13 HIS B HB2 15 ATOM 20778 H HB3 . HIS B 1 13 ? 12.771 -2.179 0.069 1.00 0.00 ? 13 HIS B HB3 15 ATOM 20779 H HD1 . HIS B 1 13 ? 13.454 -5.259 -0.405 1.00 0.00 ? 13 HIS B HD1 15 ATOM 20780 H HD2 . HIS B 1 13 ? 16.027 -2.320 1.005 1.00 0.00 ? 13 HIS B HD2 15 ATOM 20781 H HE1 . HIS B 1 13 ? 15.217 -6.485 0.908 1.00 0.00 ? 13 HIS B HE1 15 ATOM 20782 H HE2 . HIS B 1 13 ? 16.769 -4.686 1.750 1.00 0.00 ? 13 HIS B HE2 15 ATOM 20783 N N . ALA B 1 14 ? 12.516 -1.130 -3.424 1.00 0.00 ? 14 ALA B N 15 ATOM 20784 C CA . ALA B 1 14 ? 11.749 -0.074 -4.068 1.00 0.00 ? 14 ALA B CA 15 ATOM 20785 C C . ALA B 1 14 ? 10.608 -0.673 -4.876 1.00 0.00 ? 14 ALA B C 15 ATOM 20786 O O . ALA B 1 14 ? 9.460 -0.244 -4.766 1.00 0.00 ? 14 ALA B O 15 ATOM 20787 C CB . ALA B 1 14 ? 12.649 0.769 -4.959 1.00 0.00 ? 14 ALA B CB 15 ATOM 20788 H H . ALA B 1 14 ? 13.447 -1.275 -3.692 1.00 0.00 ? 14 ALA B H 15 ATOM 20789 H HA . ALA B 1 14 ? 11.340 0.563 -3.297 1.00 0.00 ? 14 ALA B HA 15 ATOM 20790 H HB1 . ALA B 1 14 ? 13.488 0.174 -5.289 1.00 0.00 ? 14 ALA B HB1 15 ATOM 20791 H HB2 . ALA B 1 14 ? 13.009 1.623 -4.403 1.00 0.00 ? 14 ALA B HB2 15 ATOM 20792 H HB3 . ALA B 1 14 ? 12.089 1.108 -5.818 1.00 0.00 ? 14 ALA B HB3 15 ATOM 20793 N N . LYS B 1 15 ? 10.934 -1.682 -5.678 1.00 0.00 ? 15 LYS B N 15 ATOM 20794 C CA . LYS B 1 15 ? 9.935 -2.358 -6.492 1.00 0.00 ? 15 LYS B CA 15 ATOM 20795 C C . LYS B 1 15 ? 8.916 -3.061 -5.603 1.00 0.00 ? 15 LYS B C 15 ATOM 20796 O O . LYS B 1 15 ? 7.778 -3.293 -6.009 1.00 0.00 ? 15 LYS B O 15 ATOM 20797 C CB . LYS B 1 15 ? 10.604 -3.369 -7.427 1.00 0.00 ? 15 LYS B CB 15 ATOM 20798 C CG . LYS B 1 15 ? 9.735 -3.775 -8.606 1.00 0.00 ? 15 LYS B CG 15 ATOM 20799 C CD . LYS B 1 15 ? 10.527 -3.787 -9.903 1.00 0.00 ? 15 LYS B CD 15 ATOM 20800 C CE . LYS B 1 15 ? 10.612 -5.187 -10.491 1.00 0.00 ? 15 LYS B CE 15 ATOM 20801 N NZ . LYS B 1 15 ? 11.768 -5.331 -11.416 1.00 0.00 ? 15 LYS B NZ 15 ATOM 20802 H H . LYS B 1 15 ? 11.865 -1.985 -5.713 1.00 0.00 ? 15 LYS B H 15 ATOM 20803 H HA . LYS B 1 15 ? 9.427 -1.611 -7.085 1.00 0.00 ? 15 LYS B HA 15 ATOM 20804 H HB2 . LYS B 1 15 ? 11.516 -2.938 -7.811 1.00 0.00 ? 15 LYS B HB2 15 ATOM 20805 H HB3 . LYS B 1 15 ? 10.845 -4.257 -6.862 1.00 0.00 ? 15 LYS B HB3 15 ATOM 20806 H HG2 . LYS B 1 15 ? 9.341 -4.764 -8.427 1.00 0.00 ? 15 LYS B HG2 15 ATOM 20807 H HG3 . LYS B 1 15 ? 8.919 -3.072 -8.699 1.00 0.00 ? 15 LYS B HG3 15 ATOM 20808 H HD2 . LYS B 1 15 ? 10.042 -3.138 -10.616 1.00 0.00 ? 15 LYS B HD2 15 ATOM 20809 H HD3 . LYS B 1 15 ? 11.526 -3.428 -9.706 1.00 0.00 ? 15 LYS B HD3 15 ATOM 20810 H HE2 . LYS B 1 15 ? 10.717 -5.896 -9.684 1.00 0.00 ? 15 LYS B HE2 15 ATOM 20811 H HE3 . LYS B 1 15 ? 9.699 -5.392 -11.032 1.00 0.00 ? 15 LYS B HE3 15 ATOM 20812 H HZ1 . LYS B 1 15 ? 11.737 -4.592 -12.146 1.00 0.00 ? 15 LYS B HZ1 15 ATOM 20813 H HZ2 . LYS B 1 15 ? 12.661 -5.246 -10.889 1.00 0.00 ? 15 LYS B HZ2 15 ATOM 20814 H HZ3 . LYS B 1 15 ? 11.740 -6.262 -11.880 1.00 0.00 ? 15 LYS B HZ3 15 ATOM 20815 N N . GLU B 1 16 ? 9.335 -3.399 -4.384 1.00 0.00 ? 16 GLU B N 15 ATOM 20816 C CA . GLU B 1 16 ? 8.459 -4.073 -3.433 1.00 0.00 ? 16 GLU B CA 15 ATOM 20817 C C . GLU B 1 16 ? 7.443 -3.102 -2.836 1.00 0.00 ? 16 GLU B C 15 ATOM 20818 O O . GLU B 1 16 ? 6.297 -3.470 -2.587 1.00 0.00 ? 16 GLU B O 15 ATOM 20819 C CB . GLU B 1 16 ? 9.284 -4.716 -2.317 1.00 0.00 ? 16 GLU B CB 15 ATOM 20820 C CG . GLU B 1 16 ? 9.725 -6.137 -2.628 1.00 0.00 ? 16 GLU B CG 15 ATOM 20821 C CD . GLU B 1 16 ? 10.345 -6.267 -4.006 1.00 0.00 ? 16 GLU B CD 15 ATOM 20822 O OE1 . GLU B 1 16 ? 9.644 -5.982 -5.001 1.00 0.00 ? 16 GLU B OE1 15 ATOM 20823 O OE2 . GLU B 1 16 ? 11.529 -6.652 -4.092 1.00 0.00 ? 16 GLU B OE2 15 ATOM 20824 H H . GLU B 1 16 ? 10.257 -3.190 -4.119 1.00 0.00 ? 16 GLU B H 15 ATOM 20825 H HA . GLU B 1 16 ? 7.927 -4.847 -3.967 1.00 0.00 ? 16 GLU B HA 15 ATOM 20826 H HB2 . GLU B 1 16 ? 10.166 -4.117 -2.146 1.00 0.00 ? 16 GLU B HB2 15 ATOM 20827 H HB3 . GLU B 1 16 ? 8.692 -4.737 -1.414 1.00 0.00 ? 16 GLU B HB3 15 ATOM 20828 H HG2 . GLU B 1 16 ? 10.455 -6.443 -1.894 1.00 0.00 ? 16 GLU B HG2 15 ATOM 20829 H HG3 . GLU B 1 16 ? 8.865 -6.788 -2.572 1.00 0.00 ? 16 GLU B HG3 15 ATOM 20830 N N . ILE B 1 17 ? 7.867 -1.860 -2.613 1.00 0.00 ? 17 ILE B N 15 ATOM 20831 C CA . ILE B 1 17 ? 6.987 -0.842 -2.049 1.00 0.00 ? 17 ILE B CA 15 ATOM 20832 C C . ILE B 1 17 ? 6.045 -0.292 -3.118 1.00 0.00 ? 17 ILE B C 15 ATOM 20833 O O . ILE B 1 17 ? 4.959 0.200 -2.808 1.00 0.00 ? 17 ILE B O 15 ATOM 20834 C CB . ILE B 1 17 ? 7.797 0.316 -1.417 1.00 0.00 ? 17 ILE B CB 15 ATOM 20835 C CG1 . ILE B 1 17 ? 6.869 1.449 -0.959 1.00 0.00 ? 17 ILE B CG1 15 ATOM 20836 C CG2 . ILE B 1 17 ? 8.841 0.835 -2.396 1.00 0.00 ? 17 ILE B CG2 15 ATOM 20837 C CD1 . ILE B 1 17 ? 7.603 2.701 -0.526 1.00 0.00 ? 17 ILE B CD1 15 ATOM 20838 H H . ILE B 1 17 ? 8.792 -1.622 -2.835 1.00 0.00 ? 17 ILE B H 15 ATOM 20839 H HA . ILE B 1 17 ? 6.393 -1.305 -1.271 1.00 0.00 ? 17 ILE B HA 15 ATOM 20840 H HB . ILE B 1 17 ? 8.320 -0.076 -0.557 1.00 0.00 ? 17 ILE B HB 15 ATOM 20841 H HG12 . ILE B 1 17 ? 6.211 1.719 -1.771 1.00 0.00 ? 17 ILE B HG12 15 ATOM 20842 H HG13 . ILE B 1 17 ? 6.278 1.105 -0.123 1.00 0.00 ? 17 ILE B HG13 15 ATOM 20843 H HG21 . ILE B 1 17 ? 8.375 1.023 -3.352 1.00 0.00 ? 17 ILE B HG21 15 ATOM 20844 H HG22 . ILE B 1 17 ? 9.268 1.750 -2.015 1.00 0.00 ? 17 ILE B HG22 15 ATOM 20845 H HG23 . ILE B 1 17 ? 9.621 0.097 -2.513 1.00 0.00 ? 17 ILE B HG23 15 ATOM 20846 H HD11 . ILE B 1 17 ? 8.519 2.425 -0.023 1.00 0.00 ? 17 ILE B HD11 15 ATOM 20847 H HD12 . ILE B 1 17 ? 7.835 3.300 -1.394 1.00 0.00 ? 17 ILE B HD12 15 ATOM 20848 H HD13 . ILE B 1 17 ? 6.980 3.268 0.148 1.00 0.00 ? 17 ILE B HD13 15 ATOM 20849 N N . GLU B 1 18 ? 6.462 -0.386 -4.376 1.00 0.00 ? 18 GLU B N 15 ATOM 20850 C CA . GLU B 1 18 ? 5.648 0.096 -5.485 1.00 0.00 ? 18 GLU B CA 15 ATOM 20851 C C . GLU B 1 18 ? 4.590 -0.936 -5.858 1.00 0.00 ? 18 GLU B C 15 ATOM 20852 O O . GLU B 1 18 ? 3.467 -0.586 -6.223 1.00 0.00 ? 18 GLU B O 15 ATOM 20853 C CB . GLU B 1 18 ? 6.526 0.409 -6.697 1.00 0.00 ? 18 GLU B CB 15 ATOM 20854 C CG . GLU B 1 18 ? 6.434 1.855 -7.158 1.00 0.00 ? 18 GLU B CG 15 ATOM 20855 C CD . GLU B 1 18 ? 5.182 2.129 -7.968 1.00 0.00 ? 18 GLU B CD 15 ATOM 20856 O OE1 . GLU B 1 18 ? 4.933 1.391 -8.945 1.00 0.00 ? 18 GLU B OE1 15 ATOM 20857 O OE2 . GLU B 1 18 ? 4.450 3.081 -7.626 1.00 0.00 ? 18 GLU B OE2 15 ATOM 20858 H H . GLU B 1 18 ? 7.333 -0.793 -4.564 1.00 0.00 ? 18 GLU B H 15 ATOM 20859 H HA . GLU B 1 18 ? 5.153 1.000 -5.163 1.00 0.00 ? 18 GLU B HA 15 ATOM 20860 H HB2 . GLU B 1 18 ? 7.556 0.199 -6.445 1.00 0.00 ? 18 GLU B HB2 15 ATOM 20861 H HB3 . GLU B 1 18 ? 6.229 -0.227 -7.518 1.00 0.00 ? 18 GLU B HB3 15 ATOM 20862 H HG2 . GLU B 1 18 ? 6.430 2.496 -6.290 1.00 0.00 ? 18 GLU B HG2 15 ATOM 20863 H HG3 . GLU B 1 18 ? 7.297 2.080 -7.768 1.00 0.00 ? 18 GLU B HG3 15 ATOM 20864 N N . ARG B 1 19 ? 4.954 -2.210 -5.755 1.00 0.00 ? 19 ARG B N 15 ATOM 20865 C CA . ARG B 1 19 ? 4.032 -3.292 -6.072 1.00 0.00 ? 19 ARG B CA 15 ATOM 20866 C C . ARG B 1 19 ? 2.992 -3.437 -4.969 1.00 0.00 ? 19 ARG B C 15 ATOM 20867 O O . ARG B 1 19 ? 1.811 -3.664 -5.237 1.00 0.00 ? 19 ARG B O 15 ATOM 20868 C CB . ARG B 1 19 ? 4.794 -4.607 -6.252 1.00 0.00 ? 19 ARG B CB 15 ATOM 20869 C CG . ARG B 1 19 ? 4.031 -5.647 -7.057 1.00 0.00 ? 19 ARG B CG 15 ATOM 20870 C CD . ARG B 1 19 ? 4.971 -6.652 -7.701 1.00 0.00 ? 19 ARG B CD 15 ATOM 20871 N NE . ARG B 1 19 ? 4.260 -7.828 -8.195 1.00 0.00 ? 19 ARG B NE 15 ATOM 20872 C CZ . ARG B 1 19 ? 3.886 -8.841 -7.421 1.00 0.00 ? 19 ARG B CZ 15 ATOM 20873 N NH1 . ARG B 1 19 ? 4.154 -8.821 -6.122 1.00 0.00 ? 19 ARG B NH1 15 ATOM 20874 N NH2 . ARG B 1 19 ? 3.242 -9.876 -7.944 1.00 0.00 ? 19 ARG B NH2 15 ATOM 20875 H H . ARG B 1 19 ? 5.859 -2.426 -5.452 1.00 0.00 ? 19 ARG B H 15 ATOM 20876 H HA . ARG B 1 19 ? 3.531 -3.045 -6.996 1.00 0.00 ? 19 ARG B HA 15 ATOM 20877 H HB2 . ARG B 1 19 ? 5.725 -4.404 -6.758 1.00 0.00 ? 19 ARG B HB2 15 ATOM 20878 H HB3 . ARG B 1 19 ? 5.006 -5.022 -5.277 1.00 0.00 ? 19 ARG B HB3 15 ATOM 20879 H HG2 . ARG B 1 19 ? 3.354 -6.172 -6.399 1.00 0.00 ? 19 ARG B HG2 15 ATOM 20880 H HG3 . ARG B 1 19 ? 3.468 -5.146 -7.830 1.00 0.00 ? 19 ARG B HG3 15 ATOM 20881 H HD2 . ARG B 1 19 ? 5.476 -6.176 -8.528 1.00 0.00 ? 19 ARG B HD2 15 ATOM 20882 H HD3 . ARG B 1 19 ? 5.700 -6.965 -6.968 1.00 0.00 ? 19 ARG B HD3 15 ATOM 20883 H HE . ARG B 1 19 ? 4.051 -7.864 -9.152 1.00 0.00 ? 19 ARG B HE 15 ATOM 20884 H HH11 . ARG B 1 19 ? 4.640 -8.042 -5.724 1.00 0.00 ? 19 ARG B HH11 15 ATOM 20885 H HH12 . ARG B 1 19 ? 3.872 -9.584 -5.542 1.00 0.00 ? 19 ARG B HH12 15 ATOM 20886 H HH21 . ARG B 1 19 ? 3.038 -9.895 -8.923 1.00 0.00 ? 19 ARG B HH21 15 ATOM 20887 H HH22 . ARG B 1 19 ? 2.962 -10.637 -7.360 1.00 0.00 ? 19 ARG B HH22 15 ATOM 20888 N N . LEU B 1 20 ? 3.438 -3.291 -3.725 1.00 0.00 ? 20 LEU B N 15 ATOM 20889 C CA . LEU B 1 20 ? 2.546 -3.394 -2.583 1.00 0.00 ? 20 LEU B CA 15 ATOM 20890 C C . LEU B 1 20 ? 1.565 -2.230 -2.574 1.00 0.00 ? 20 LEU B C 15 ATOM 20891 O O . LEU B 1 20 ? 0.386 -2.401 -2.268 1.00 0.00 ? 20 LEU B O 15 ATOM 20892 C CB . LEU B 1 20 ? 3.350 -3.416 -1.280 1.00 0.00 ? 20 LEU B CB 15 ATOM 20893 C CG . LEU B 1 20 ? 2.964 -4.522 -0.296 1.00 0.00 ? 20 LEU B CG 15 ATOM 20894 C CD1 . LEU B 1 20 ? 1.452 -4.623 -0.169 1.00 0.00 ? 20 LEU B CD1 15 ATOM 20895 C CD2 . LEU B 1 20 ? 3.552 -5.854 -0.737 1.00 0.00 ? 20 LEU B CD2 15 ATOM 20896 H H . LEU B 1 20 ? 4.389 -3.100 -3.575 1.00 0.00 ? 20 LEU B H 15 ATOM 20897 H HA . LEU B 1 20 ? 1.993 -4.316 -2.673 1.00 0.00 ? 20 LEU B HA 15 ATOM 20898 H HB2 . LEU B 1 20 ? 4.393 -3.535 -1.530 1.00 0.00 ? 20 LEU B HB2 15 ATOM 20899 H HB3 . LEU B 1 20 ? 3.223 -2.466 -0.786 1.00 0.00 ? 20 LEU B HB3 15 ATOM 20900 H HG . LEU B 1 20 ? 3.365 -4.285 0.678 1.00 0.00 ? 20 LEU B HG 15 ATOM 20901 H HD11 . LEU B 1 20 ? 0.995 -3.744 -0.602 1.00 0.00 ? 20 LEU B HD11 15 ATOM 20902 H HD12 . LEU B 1 20 ? 1.104 -5.502 -0.688 1.00 0.00 ? 20 LEU B HD12 15 ATOM 20903 H HD13 . LEU B 1 20 ? 1.183 -4.690 0.875 1.00 0.00 ? 20 LEU B HD13 15 ATOM 20904 H HD21 . LEU B 1 20 ? 4.524 -5.690 -1.179 1.00 0.00 ? 20 LEU B HD21 15 ATOM 20905 H HD22 . LEU B 1 20 ? 3.652 -6.505 0.120 1.00 0.00 ? 20 LEU B HD22 15 ATOM 20906 H HD23 . LEU B 1 20 ? 2.898 -6.314 -1.463 1.00 0.00 ? 20 LEU B HD23 15 ATOM 20907 N N . GLN B 1 21 ? 2.061 -1.044 -2.923 1.00 0.00 ? 21 GLN B N 15 ATOM 20908 C CA . GLN B 1 21 ? 1.226 0.151 -2.965 1.00 0.00 ? 21 GLN B CA 15 ATOM 20909 C C . GLN B 1 21 ? 0.144 0.009 -4.028 1.00 0.00 ? 21 GLN B C 15 ATOM 20910 O O . GLN B 1 21 ? -0.988 0.454 -3.839 1.00 0.00 ? 21 GLN B O 15 ATOM 20911 C CB . GLN B 1 21 ? 2.080 1.387 -3.250 1.00 0.00 ? 21 GLN B CB 15 ATOM 20912 C CG . GLN B 1 21 ? 1.268 2.660 -3.422 1.00 0.00 ? 21 GLN B CG 15 ATOM 20913 C CD . GLN B 1 21 ? 2.139 3.894 -3.561 1.00 0.00 ? 21 GLN B CD 15 ATOM 20914 O OE1 . GLN B 1 21 ? 1.875 4.927 -2.945 1.00 0.00 ? 21 GLN B OE1 15 ATOM 20915 N NE2 . GLN B 1 21 ? 3.185 3.791 -4.372 1.00 0.00 ? 21 GLN B NE2 15 ATOM 20916 H H . GLN B 1 21 ? 3.010 -0.973 -3.165 1.00 0.00 ? 21 GLN B H 15 ATOM 20917 H HA . GLN B 1 21 ? 0.756 0.261 -2.000 1.00 0.00 ? 21 GLN B HA 15 ATOM 20918 H HB2 . GLN B 1 21 ? 2.767 1.532 -2.429 1.00 0.00 ? 21 GLN B HB2 15 ATOM 20919 H HB3 . GLN B 1 21 ? 2.645 1.220 -4.156 1.00 0.00 ? 21 GLN B HB3 15 ATOM 20920 H HG2 . GLN B 1 21 ? 0.660 2.567 -4.309 1.00 0.00 ? 21 GLN B HG2 15 ATOM 20921 H HG3 . GLN B 1 21 ? 0.629 2.783 -2.560 1.00 0.00 ? 21 GLN B HG3 15 ATOM 20922 H HE21 . GLN B 1 21 ? 3.334 2.937 -4.830 1.00 0.00 ? 21 GLN B HE21 15 ATOM 20923 H HE22 . GLN B 1 21 ? 3.765 4.573 -4.481 1.00 0.00 ? 21 GLN B HE22 15 ATOM 20924 N N . LYS B 1 22 ? 0.498 -0.616 -5.146 1.00 0.00 ? 22 LYS B N 15 ATOM 20925 C CA . LYS B 1 22 ? -0.445 -0.822 -6.237 1.00 0.00 ? 22 LYS B CA 15 ATOM 20926 C C . LYS B 1 22 ? -1.622 -1.674 -5.776 1.00 0.00 ? 22 LYS B C 15 ATOM 20927 O O . LYS B 1 22 ? -2.777 -1.365 -6.065 1.00 0.00 ? 22 LYS B O 15 ATOM 20928 C CB . LYS B 1 22 ? 0.252 -1.491 -7.423 1.00 0.00 ? 22 LYS B CB 15 ATOM 20929 C CG . LYS B 1 22 ? -0.330 -1.098 -8.771 1.00 0.00 ? 22 LYS B CG 15 ATOM 20930 C CD . LYS B 1 22 ? -1.087 -2.252 -9.410 1.00 0.00 ? 22 LYS B CD 15 ATOM 20931 C CE . LYS B 1 22 ? -2.589 -2.100 -9.229 1.00 0.00 ? 22 LYS B CE 15 ATOM 20932 N NZ . LYS B 1 22 ? -3.310 -3.379 -9.477 1.00 0.00 ? 22 LYS B NZ 15 ATOM 20933 H H . LYS B 1 22 ? 1.415 -0.951 -5.237 1.00 0.00 ? 22 LYS B H 15 ATOM 20934 H HA . LYS B 1 22 ? -0.813 0.145 -6.545 1.00 0.00 ? 22 LYS B HA 15 ATOM 20935 H HB2 . LYS B 1 22 ? 1.296 -1.218 -7.413 1.00 0.00 ? 22 LYS B HB2 15 ATOM 20936 H HB3 . LYS B 1 22 ? 0.167 -2.563 -7.318 1.00 0.00 ? 22 LYS B HB3 15 ATOM 20937 H HG2 . LYS B 1 22 ? -1.008 -0.269 -8.632 1.00 0.00 ? 22 LYS B HG2 15 ATOM 20938 H HG3 . LYS B 1 22 ? 0.475 -0.801 -9.427 1.00 0.00 ? 22 LYS B HG3 15 ATOM 20939 H HD2 . LYS B 1 22 ? -0.863 -2.276 -10.465 1.00 0.00 ? 22 LYS B HD2 15 ATOM 20940 H HD3 . LYS B 1 22 ? -0.769 -3.176 -8.949 1.00 0.00 ? 22 LYS B HD3 15 ATOM 20941 H HE2 . LYS B 1 22 ? -2.786 -1.777 -8.217 1.00 0.00 ? 22 LYS B HE2 15 ATOM 20942 H HE3 . LYS B 1 22 ? -2.949 -1.352 -9.920 1.00 0.00 ? 22 LYS B HE3 15 ATOM 20943 H HZ1 . LYS B 1 22 ? -3.000 -3.794 -10.378 1.00 0.00 ? 22 LYS B HZ1 15 ATOM 20944 H HZ2 . LYS B 1 22 ? -3.114 -4.054 -8.710 1.00 0.00 ? 22 LYS B HZ2 15 ATOM 20945 H HZ3 . LYS B 1 22 ? -4.335 -3.208 -9.521 1.00 0.00 ? 22 LYS B HZ3 15 ATOM 20946 N N . GLU B 1 23 ? -1.318 -2.748 -5.051 1.00 0.00 ? 23 GLU B N 15 ATOM 20947 C CA . GLU B 1 23 ? -2.352 -3.644 -4.546 1.00 0.00 ? 23 GLU B CA 15 ATOM 20948 C C . GLU B 1 23 ? -3.339 -2.893 -3.657 1.00 0.00 ? 23 GLU B C 15 ATOM 20949 O O . GLU B 1 23 ? -4.557 -3.050 -3.790 1.00 0.00 ? 23 GLU B O 15 ATOM 20950 C CB . GLU B 1 23 ? -1.717 -4.795 -3.762 1.00 0.00 ? 23 GLU B CB 15 ATOM 20951 C CG . GLU B 1 23 ? -1.330 -5.982 -4.629 1.00 0.00 ? 23 GLU B CG 15 ATOM 20952 C CD . GLU B 1 23 ? 0.025 -6.555 -4.262 1.00 0.00 ? 23 GLU B CD 15 ATOM 20953 O OE1 . GLU B 1 23 ? 0.526 -6.236 -3.162 1.00 0.00 ? 23 GLU B OE1 15 ATOM 20954 O OE2 . GLU B 1 23 ? 0.585 -7.321 -5.073 1.00 0.00 ? 23 GLU B OE2 15 ATOM 20955 H H . GLU B 1 23 ? -0.377 -2.940 -4.851 1.00 0.00 ? 23 GLU B H 15 ATOM 20956 H HA . GLU B 1 23 ? -2.883 -4.048 -5.394 1.00 0.00 ? 23 GLU B HA 15 ATOM 20957 H HB2 . GLU B 1 23 ? -0.828 -4.432 -3.268 1.00 0.00 ? 23 GLU B HB2 15 ATOM 20958 H HB3 . GLU B 1 23 ? -2.419 -5.136 -3.015 1.00 0.00 ? 23 GLU B HB3 15 ATOM 20959 H HG2 . GLU B 1 23 ? -2.074 -6.755 -4.512 1.00 0.00 ? 23 GLU B HG2 15 ATOM 20960 H HG3 . GLU B 1 23 ? -1.303 -5.663 -5.661 1.00 0.00 ? 23 GLU B HG3 15 ATOM 20961 N N . ILE B 1 24 ? -2.814 -2.075 -2.751 1.00 0.00 ? 24 ILE B N 15 ATOM 20962 C CA . ILE B 1 24 ? -3.665 -1.305 -1.850 1.00 0.00 ? 24 ILE B CA 15 ATOM 20963 C C . ILE B 1 24 ? -4.571 -0.372 -2.654 1.00 0.00 ? 24 ILE B C 15 ATOM 20964 O O . ILE B 1 24 ? -5.724 -0.140 -2.293 1.00 0.00 ? 24 ILE B O 15 ATOM 20965 C CB . ILE B 1 24 ? -2.845 -0.505 -0.781 1.00 0.00 ? 24 ILE B CB 15 ATOM 20966 C CG1 . ILE B 1 24 ? -2.544 0.934 -1.225 1.00 0.00 ? 24 ILE B CG1 15 ATOM 20967 C CG2 . ILE B 1 24 ? -1.545 -1.222 -0.447 1.00 0.00 ? 24 ILE B CG2 15 ATOM 20968 C CD1 . ILE B 1 24 ? -3.621 1.916 -0.815 1.00 0.00 ? 24 ILE B CD1 15 ATOM 20969 H H . ILE B 1 24 ? -1.840 -1.986 -2.693 1.00 0.00 ? 24 ILE B H 15 ATOM 20970 H HA . ILE B 1 24 ? -4.293 -2.011 -1.323 1.00 0.00 ? 24 ILE B HA 15 ATOM 20971 H HB . ILE B 1 24 ? -3.435 -0.471 0.122 1.00 0.00 ? 24 ILE B HB 15 ATOM 20972 H HG12 . ILE B 1 24 ? -1.614 1.256 -0.782 1.00 0.00 ? 24 ILE B HG12 15 ATOM 20973 H HG13 . ILE B 1 24 ? -2.458 0.964 -2.300 1.00 0.00 ? 24 ILE B HG13 15 ATOM 20974 H HG21 . ILE B 1 24 ? -1.700 -2.290 -0.489 1.00 0.00 ? 24 ILE B HG21 15 ATOM 20975 H HG22 . ILE B 1 24 ? -0.786 -0.939 -1.160 1.00 0.00 ? 24 ILE B HG22 15 ATOM 20976 H HG23 . ILE B 1 24 ? -1.226 -0.943 0.546 1.00 0.00 ? 24 ILE B HG23 15 ATOM 20977 H HD11 . ILE B 1 24 ? -4.392 1.393 -0.264 1.00 0.00 ? 24 ILE B HD11 15 ATOM 20978 H HD12 . ILE B 1 24 ? -3.189 2.682 -0.189 1.00 0.00 ? 24 ILE B HD12 15 ATOM 20979 H HD13 . ILE B 1 24 ? -4.051 2.368 -1.695 1.00 0.00 ? 24 ILE B HD13 15 ATOM 20980 N N . GLU B 1 25 ? -4.031 0.153 -3.752 1.00 0.00 ? 25 GLU B N 15 ATOM 20981 C CA . GLU B 1 25 ? -4.778 1.053 -4.619 1.00 0.00 ? 25 GLU B CA 15 ATOM 20982 C C . GLU B 1 25 ? -6.036 0.368 -5.138 1.00 0.00 ? 25 GLU B C 15 ATOM 20983 O O . GLU B 1 25 ? -7.114 0.960 -5.158 1.00 0.00 ? 25 GLU B O 15 ATOM 20984 C CB . GLU B 1 25 ? -3.908 1.508 -5.792 1.00 0.00 ? 25 GLU B CB 15 ATOM 20985 C CG . GLU B 1 25 ? -4.111 2.965 -6.173 1.00 0.00 ? 25 GLU B CG 15 ATOM 20986 C CD . GLU B 1 25 ? -2.803 3.693 -6.412 1.00 0.00 ? 25 GLU B CD 15 ATOM 20987 O OE1 . GLU B 1 25 ? -2.211 3.508 -7.496 1.00 0.00 ? 25 GLU B OE1 15 ATOM 20988 O OE2 . GLU B 1 25 ? -2.371 4.448 -5.516 1.00 0.00 ? 25 GLU B OE2 15 ATOM 20989 H H . GLU B 1 25 ? -3.107 -0.076 -3.985 1.00 0.00 ? 25 GLU B H 15 ATOM 20990 H HA . GLU B 1 25 ? -5.065 1.916 -4.036 1.00 0.00 ? 25 GLU B HA 15 ATOM 20991 H HB2 . GLU B 1 25 ? -2.869 1.369 -5.529 1.00 0.00 ? 25 GLU B HB2 15 ATOM 20992 H HB3 . GLU B 1 25 ? -4.136 0.897 -6.653 1.00 0.00 ? 25 GLU B HB3 15 ATOM 20993 H HG2 . GLU B 1 25 ? -4.700 3.008 -7.077 1.00 0.00 ? 25 GLU B HG2 15 ATOM 20994 H HG3 . GLU B 1 25 ? -4.643 3.461 -5.374 1.00 0.00 ? 25 GLU B HG3 15 ATOM 20995 N N . ARG B 1 26 ? -5.890 -0.888 -5.547 1.00 0.00 ? 26 ARG B N 15 ATOM 20996 C CA . ARG B 1 26 ? -7.017 -1.658 -6.054 1.00 0.00 ? 26 ARG B CA 15 ATOM 20997 C C . ARG B 1 26 ? -8.117 -1.729 -5.003 1.00 0.00 ? 26 ARG B C 15 ATOM 20998 O O . ARG B 1 26 ? -9.280 -1.430 -5.282 1.00 0.00 ? 26 ARG B O 15 ATOM 20999 C CB . ARG B 1 26 ? -6.570 -3.068 -6.444 1.00 0.00 ? 26 ARG B CB 15 ATOM 21000 C CG . ARG B 1 26 ? -7.535 -3.776 -7.380 1.00 0.00 ? 26 ARG B CG 15 ATOM 21001 C CD . ARG B 1 26 ? -7.587 -5.269 -7.102 1.00 0.00 ? 26 ARG B CD 15 ATOM 21002 N NE . ARG B 1 26 ? -8.866 -5.855 -7.494 1.00 0.00 ? 26 ARG B NE 15 ATOM 21003 C CZ . ARG B 1 26 ? -9.179 -6.168 -8.747 1.00 0.00 ? 26 ARG B CZ 15 ATOM 21004 N NH1 . ARG B 1 26 ? -8.308 -5.953 -9.724 1.00 0.00 ? 26 ARG B NH1 15 ATOM 21005 N NH2 . ARG B 1 26 ? -10.363 -6.697 -9.025 1.00 0.00 ? 26 ARG B NH2 15 ATOM 21006 H H . ARG B 1 26 ? -5.006 -1.308 -5.499 1.00 0.00 ? 26 ARG B H 15 ATOM 21007 H HA . ARG B 1 26 ? -7.400 -1.153 -6.929 1.00 0.00 ? 26 ARG B HA 15 ATOM 21008 H HB2 . ARG B 1 26 ? -5.609 -3.007 -6.931 1.00 0.00 ? 26 ARG B HB2 15 ATOM 21009 H HB3 . ARG B 1 26 ? -6.472 -3.662 -5.547 1.00 0.00 ? 26 ARG B HB3 15 ATOM 21010 H HG2 . ARG B 1 26 ? -8.523 -3.361 -7.244 1.00 0.00 ? 26 ARG B HG2 15 ATOM 21011 H HG3 . ARG B 1 26 ? -7.214 -3.618 -8.399 1.00 0.00 ? 26 ARG B HG3 15 ATOM 21012 H HD2 . ARG B 1 26 ? -6.796 -5.753 -7.655 1.00 0.00 ? 26 ARG B HD2 15 ATOM 21013 H HD3 . ARG B 1 26 ? -7.436 -5.431 -6.045 1.00 0.00 ? 26 ARG B HD3 15 ATOM 21014 H HE . ARG B 1 26 ? -9.524 -6.023 -6.787 1.00 0.00 ? 26 ARG B HE 15 ATOM 21015 H HH11 . ARG B 1 26 ? -7.414 -5.555 -9.518 1.00 0.00 ? 26 ARG B HH11 15 ATOM 21016 H HH12 . ARG B 1 26 ? -8.545 -6.189 -10.666 1.00 0.00 ? 26 ARG B HH12 15 ATOM 21017 H HH21 . ARG B 1 26 ? -11.021 -6.861 -8.291 1.00 0.00 ? 26 ARG B HH21 15 ATOM 21018 H HH22 . ARG B 1 26 ? -10.596 -6.932 -9.969 1.00 0.00 ? 26 ARG B HH22 15 ATOM 21019 N N . HIS B 1 27 ? -7.739 -2.113 -3.788 1.00 0.00 ? 27 HIS B N 15 ATOM 21020 C CA . HIS B 1 27 ? -8.694 -2.208 -2.691 1.00 0.00 ? 27 HIS B CA 15 ATOM 21021 C C . HIS B 1 27 ? -9.293 -0.837 -2.384 1.00 0.00 ? 27 HIS B C 15 ATOM 21022 O O . HIS B 1 27 ? -10.389 -0.737 -1.829 1.00 0.00 ? 27 HIS B O 15 ATOM 21023 C CB . HIS B 1 27 ? -8.016 -2.774 -1.442 1.00 0.00 ? 27 HIS B CB 15 ATOM 21024 C CG . HIS B 1 27 ? -8.432 -4.176 -1.119 1.00 0.00 ? 27 HIS B CG 15 ATOM 21025 N ND1 . HIS B 1 27 ? -9.708 -4.509 -0.711 1.00 0.00 ? 27 HIS B ND1 15 ATOM 21026 C CD2 . HIS B 1 27 ? -7.735 -5.337 -1.147 1.00 0.00 ? 27 HIS B CD2 15 ATOM 21027 C CE1 . HIS B 1 27 ? -9.776 -5.811 -0.501 1.00 0.00 ? 27 HIS B CE1 15 ATOM 21028 N NE2 . HIS B 1 27 ? -8.593 -6.336 -0.758 1.00 0.00 ? 27 HIS B NE2 15 ATOM 21029 H H . HIS B 1 27 ? -6.794 -2.329 -3.623 1.00 0.00 ? 27 HIS B H 15 ATOM 21030 H HA . HIS B 1 27 ? -9.486 -2.875 -2.996 1.00 0.00 ? 27 HIS B HA 15 ATOM 21031 H HB2 . HIS B 1 27 ? -6.946 -2.772 -1.588 1.00 0.00 ? 27 HIS B HB2 15 ATOM 21032 H HB3 . HIS B 1 27 ? -8.260 -2.151 -0.594 1.00 0.00 ? 27 HIS B HB3 15 ATOM 21033 H HD1 . HIS B 1 27 ? -10.453 -3.882 -0.593 1.00 0.00 ? 27 HIS B HD1 15 ATOM 21034 H HD2 . HIS B 1 27 ? -6.696 -5.454 -1.423 1.00 0.00 ? 27 HIS B HD2 15 ATOM 21035 H HE1 . HIS B 1 27 ? -10.651 -6.354 -0.175 1.00 0.00 ? 27 HIS B HE1 15 ATOM 21036 H HE2 . HIS B 1 27 ? -8.367 -7.287 -0.684 1.00 0.00 ? 27 HIS B HE2 15 ATOM 21037 N N . LYS B 1 28 ? -8.568 0.217 -2.751 1.00 0.00 ? 28 LYS B N 15 ATOM 21038 C CA . LYS B 1 28 ? -9.024 1.583 -2.520 1.00 0.00 ? 28 LYS B CA 15 ATOM 21039 C C . LYS B 1 28 ? -10.054 1.996 -3.564 1.00 0.00 ? 28 LYS B C 15 ATOM 21040 O O . LYS B 1 28 ? -10.909 2.842 -3.307 1.00 0.00 ? 28 LYS B O 15 ATOM 21041 C CB . LYS B 1 28 ? -7.838 2.549 -2.553 1.00 0.00 ? 28 LYS B CB 15 ATOM 21042 C CG . LYS B 1 28 ? -8.224 3.994 -2.286 1.00 0.00 ? 28 LYS B CG 15 ATOM 21043 C CD . LYS B 1 28 ? -7.065 4.939 -2.562 1.00 0.00 ? 28 LYS B CD 15 ATOM 21044 C CE . LYS B 1 28 ? -7.302 5.757 -3.821 1.00 0.00 ? 28 LYS B CE 15 ATOM 21045 N NZ . LYS B 1 28 ? -6.075 6.481 -4.253 1.00 0.00 ? 28 LYS B NZ 15 ATOM 21046 H H . LYS B 1 28 ? -7.704 0.074 -3.190 1.00 0.00 ? 28 LYS B H 15 ATOM 21047 H HA . LYS B 1 28 ? -9.483 1.620 -1.544 1.00 0.00 ? 28 LYS B HA 15 ATOM 21048 H HB2 . LYS B 1 28 ? -7.119 2.245 -1.807 1.00 0.00 ? 28 LYS B HB2 15 ATOM 21049 H HB3 . LYS B 1 28 ? -7.376 2.498 -3.528 1.00 0.00 ? 28 LYS B HB3 15 ATOM 21050 H HG2 . LYS B 1 28 ? -9.052 4.260 -2.925 1.00 0.00 ? 28 LYS B HG2 15 ATOM 21051 H HG3 . LYS B 1 28 ? -8.519 4.093 -1.251 1.00 0.00 ? 28 LYS B HG3 15 ATOM 21052 H HD2 . LYS B 1 28 ? -6.954 5.611 -1.724 1.00 0.00 ? 28 LYS B HD2 15 ATOM 21053 H HD3 . LYS B 1 28 ? -6.162 4.359 -2.684 1.00 0.00 ? 28 LYS B HD3 15 ATOM 21054 H HE2 . LYS B 1 28 ? -7.614 5.092 -4.613 1.00 0.00 ? 28 LYS B HE2 15 ATOM 21055 H HE3 . LYS B 1 28 ? -8.084 6.476 -3.626 1.00 0.00 ? 28 LYS B HE3 15 ATOM 21056 H HZ1 . LYS B 1 28 ? -5.234 5.891 -4.087 1.00 0.00 ? 28 LYS B HZ1 15 ATOM 21057 H HZ2 . LYS B 1 28 ? -6.131 6.707 -5.267 1.00 0.00 ? 28 LYS B HZ2 15 ATOM 21058 H HZ3 . LYS B 1 28 ? -5.974 7.366 -3.717 1.00 0.00 ? 28 LYS B HZ3 15 ATOM 21059 N N . GLN B 1 29 ? -9.967 1.390 -4.743 1.00 0.00 ? 29 GLN B N 15 ATOM 21060 C CA . GLN B 1 29 ? -10.893 1.693 -5.826 1.00 0.00 ? 29 GLN B CA 15 ATOM 21061 C C . GLN B 1 29 ? -12.257 1.072 -5.553 1.00 0.00 ? 29 GLN B C 15 ATOM 21062 O O . GLN B 1 29 ? -13.293 1.669 -5.842 1.00 0.00 ? 29 GLN B O 15 ATOM 21063 C CB . GLN B 1 29 ? -10.342 1.181 -7.157 1.00 0.00 ? 29 GLN B CB 15 ATOM 21064 C CG . GLN B 1 29 ? -10.738 2.040 -8.347 1.00 0.00 ? 29 GLN B CG 15 ATOM 21065 C CD . GLN B 1 29 ? -9.577 2.306 -9.286 1.00 0.00 ? 29 GLN B CD 15 ATOM 21066 O OE1 . GLN B 1 29 ? -9.396 3.424 -9.768 1.00 0.00 ? 29 GLN B OE1 15 ATOM 21067 N NE2 . GLN B 1 29 ? -8.782 1.275 -9.551 1.00 0.00 ? 29 GLN B NE2 15 ATOM 21068 H H . GLN B 1 29 ? -9.265 0.723 -4.887 1.00 0.00 ? 29 GLN B H 15 ATOM 21069 H HA . GLN B 1 29 ? -11.003 2.767 -5.879 1.00 0.00 ? 29 GLN B HA 15 ATOM 21070 H HB2 . GLN B 1 29 ? -9.264 1.155 -7.102 1.00 0.00 ? 29 GLN B HB2 15 ATOM 21071 H HB3 . GLN B 1 29 ? -10.710 0.180 -7.325 1.00 0.00 ? 29 GLN B HB3 15 ATOM 21072 H HG2 . GLN B 1 29 ? -11.516 1.534 -8.897 1.00 0.00 ? 29 GLN B HG2 15 ATOM 21073 H HG3 . GLN B 1 29 ? -11.112 2.985 -7.983 1.00 0.00 ? 29 GLN B HG3 15 ATOM 21074 H HE21 . GLN B 1 29 ? -8.987 0.413 -9.133 1.00 0.00 ? 29 GLN B HE21 15 ATOM 21075 H HE22 . GLN B 1 29 ? -8.023 1.419 -10.154 1.00 0.00 ? 29 GLN B HE22 15 ATOM 21076 N N . SER B 1 30 ? -12.246 -0.132 -4.990 1.00 0.00 ? 30 SER B N 15 ATOM 21077 C CA . SER B 1 30 ? -13.483 -0.835 -4.673 1.00 0.00 ? 30 SER B CA 15 ATOM 21078 C C . SER B 1 30 ? -14.196 -0.177 -3.496 1.00 0.00 ? 30 SER B C 15 ATOM 21079 O O . SER B 1 30 ? -15.414 0.004 -3.519 1.00 0.00 ? 30 SER B O 15 ATOM 21080 C CB . SER B 1 30 ? -13.192 -2.302 -4.354 1.00 0.00 ? 30 SER B CB 15 ATOM 21081 O OG . SER B 1 30 ? -12.547 -2.434 -3.099 1.00 0.00 ? 30 SER B OG 15 ATOM 21082 H H . SER B 1 30 ? -11.386 -0.556 -4.781 1.00 0.00 ? 30 SER B H 15 ATOM 21083 H HA . SER B 1 30 ? -14.124 -0.785 -5.541 1.00 0.00 ? 30 SER B HA 15 ATOM 21084 H HB2 . SER B 1 30 ? -14.121 -2.853 -4.326 1.00 0.00 ? 30 SER B HB2 15 ATOM 21085 H HB3 . SER B 1 30 ? -12.551 -2.716 -5.119 1.00 0.00 ? 30 SER B HB3 15 ATOM 21086 H HG . SER B 1 30 ? -12.467 -3.364 -2.876 1.00 0.00 ? 30 SER B HG 15 ATOM 21087 N N . ILE B 1 31 ? -13.432 0.179 -2.467 1.00 0.00 ? 31 ILE B N 15 ATOM 21088 C CA . ILE B 1 31 ? -13.996 0.814 -1.285 1.00 0.00 ? 31 ILE B CA 15 ATOM 21089 C C . ILE B 1 31 ? -14.355 2.273 -1.560 1.00 0.00 ? 31 ILE B C 15 ATOM 21090 O O . ILE B 1 31 ? -15.222 2.845 -0.899 1.00 0.00 ? 31 ILE B O 15 ATOM 21091 C CB . ILE B 1 31 ? -13.022 0.729 -0.093 1.00 0.00 ? 31 ILE B CB 15 ATOM 21092 C CG1 . ILE B 1 31 ? -13.767 1.028 1.227 1.00 0.00 ? 31 ILE B CG1 15 ATOM 21093 C CG2 . ILE B 1 31 ? -11.813 1.640 -0.313 1.00 0.00 ? 31 ILE B CG2 15 ATOM 21094 C CD1 . ILE B 1 31 ? -13.423 2.350 1.892 1.00 0.00 ? 31 ILE B CD1 15 ATOM 21095 H H . ILE B 1 31 ? -12.465 0.010 -2.504 1.00 0.00 ? 31 ILE B H 15 ATOM 21096 H HA . ILE B 1 31 ? -14.898 0.280 -1.023 1.00 0.00 ? 31 ILE B HA 15 ATOM 21097 H HB . ILE B 1 31 ? -12.655 -0.284 -0.054 1.00 0.00 ? 31 ILE B HB 15 ATOM 21098 H HG12 . ILE B 1 31 ? -14.827 1.032 1.033 1.00 0.00 ? 31 ILE B HG12 15 ATOM 21099 H HG13 . ILE B 1 31 ? -13.546 0.240 1.932 1.00 0.00 ? 31 ILE B HG13 15 ATOM 21100 H HG21 . ILE B 1 31 ? -11.446 1.514 -1.321 1.00 0.00 ? 31 ILE B HG21 15 ATOM 21101 H HG22 . ILE B 1 31 ? -12.106 2.669 -0.163 1.00 0.00 ? 31 ILE B HG22 15 ATOM 21102 H HG23 . ILE B 1 31 ? -11.034 1.381 0.389 1.00 0.00 ? 31 ILE B HG23 15 ATOM 21103 H HD11 . ILE B 1 31 ? -13.452 3.141 1.158 1.00 0.00 ? 31 ILE B HD11 15 ATOM 21104 H HD12 . ILE B 1 31 ? -14.139 2.556 2.674 1.00 0.00 ? 31 ILE B HD12 15 ATOM 21105 H HD13 . ILE B 1 31 ? -12.432 2.290 2.318 1.00 0.00 ? 31 ILE B HD13 15 ATOM 21106 N N . LYS B 1 32 ? -13.691 2.863 -2.549 1.00 0.00 ? 32 LYS B N 15 ATOM 21107 C CA . LYS B 1 32 ? -13.948 4.248 -2.920 1.00 0.00 ? 32 LYS B CA 15 ATOM 21108 C C . LYS B 1 32 ? -15.171 4.335 -3.826 1.00 0.00 ? 32 LYS B C 15 ATOM 21109 O O . LYS B 1 32 ? -15.859 5.356 -3.862 1.00 0.00 ? 32 LYS B O 15 ATOM 21110 C CB . LYS B 1 32 ? -12.725 4.847 -3.621 1.00 0.00 ? 32 LYS B CB 15 ATOM 21111 C CG . LYS B 1 32 ? -12.985 6.206 -4.261 1.00 0.00 ? 32 LYS B CG 15 ATOM 21112 C CD . LYS B 1 32 ? -11.726 7.065 -4.327 1.00 0.00 ? 32 LYS B CD 15 ATOM 21113 C CE . LYS B 1 32 ? -10.517 6.279 -4.816 1.00 0.00 ? 32 LYS B CE 15 ATOM 21114 N NZ . LYS B 1 32 ? -9.497 7.163 -5.444 1.00 0.00 ? 32 LYS B NZ 15 ATOM 21115 H H . LYS B 1 32 ? -13.019 2.352 -3.046 1.00 0.00 ? 32 LYS B H 15 ATOM 21116 H HA . LYS B 1 32 ? -14.143 4.805 -2.014 1.00 0.00 ? 32 LYS B HA 15 ATOM 21117 H HB2 . LYS B 1 32 ? -11.930 4.960 -2.898 1.00 0.00 ? 32 LYS B HB2 15 ATOM 21118 H HB3 . LYS B 1 32 ? -12.400 4.167 -4.395 1.00 0.00 ? 32 LYS B HB3 15 ATOM 21119 H HG2 . LYS B 1 32 ? -13.355 6.055 -5.263 1.00 0.00 ? 32 LYS B HG2 15 ATOM 21120 H HG3 . LYS B 1 32 ? -13.731 6.725 -3.677 1.00 0.00 ? 32 LYS B HG3 15 ATOM 21121 H HD2 . LYS B 1 32 ? -11.901 7.885 -5.005 1.00 0.00 ? 32 LYS B HD2 15 ATOM 21122 H HD3 . LYS B 1 32 ? -11.516 7.452 -3.341 1.00 0.00 ? 32 LYS B HD3 15 ATOM 21123 H HE2 . LYS B 1 32 ? -10.069 5.771 -3.975 1.00 0.00 ? 32 LYS B HE2 15 ATOM 21124 H HE3 . LYS B 1 32 ? -10.846 5.550 -5.543 1.00 0.00 ? 32 LYS B HE3 15 ATOM 21125 H HZ1 . LYS B 1 32 ? -9.936 7.744 -6.187 1.00 0.00 ? 32 LYS B HZ1 15 ATOM 21126 H HZ2 . LYS B 1 32 ? -9.080 7.793 -4.728 1.00 0.00 ? 32 LYS B HZ2 15 ATOM 21127 H HZ3 . LYS B 1 32 ? -8.739 6.591 -5.868 1.00 0.00 ? 32 LYS B HZ3 15 ATOM 21128 N N . LYS B 1 33 ? -15.439 3.254 -4.552 1.00 0.00 ? 33 LYS B N 15 ATOM 21129 C CA . LYS B 1 33 ? -16.582 3.202 -5.453 1.00 0.00 ? 33 LYS B CA 15 ATOM 21130 C C . LYS B 1 33 ? -17.877 3.028 -4.670 1.00 0.00 ? 33 LYS B C 15 ATOM 21131 O O . LYS B 1 33 ? -18.889 3.661 -4.973 1.00 0.00 ? 33 LYS B O 15 ATOM 21132 C CB . LYS B 1 33 ? -16.418 2.055 -6.453 1.00 0.00 ? 33 LYS B CB 15 ATOM 21133 C CG . LYS B 1 33 ? -16.613 2.475 -7.900 1.00 0.00 ? 33 LYS B CG 15 ATOM 21134 C CD . LYS B 1 33 ? -15.306 2.925 -8.531 1.00 0.00 ? 33 LYS B CD 15 ATOM 21135 C CE . LYS B 1 33 ? -15.004 2.146 -9.801 1.00 0.00 ? 33 LYS B CE 15 ATOM 21136 N NZ . LYS B 1 33 ? -13.543 1.916 -9.979 1.00 0.00 ? 33 LYS B NZ 15 ATOM 21137 H H . LYS B 1 33 ? -14.854 2.471 -4.475 1.00 0.00 ? 33 LYS B H 15 ATOM 21138 H HA . LYS B 1 33 ? -16.622 4.136 -5.993 1.00 0.00 ? 33 LYS B HA 15 ATOM 21139 H HB2 . LYS B 1 33 ? -15.425 1.643 -6.351 1.00 0.00 ? 33 LYS B HB2 15 ATOM 21140 H HB3 . LYS B 1 33 ? -17.142 1.286 -6.222 1.00 0.00 ? 33 LYS B HB3 15 ATOM 21141 H HG2 . LYS B 1 33 ? -17.002 1.637 -8.459 1.00 0.00 ? 33 LYS B HG2 15 ATOM 21142 H HG3 . LYS B 1 33 ? -17.319 3.292 -7.935 1.00 0.00 ? 33 LYS B HG3 15 ATOM 21143 H HD2 . LYS B 1 33 ? -15.375 3.975 -8.771 1.00 0.00 ? 33 LYS B HD2 15 ATOM 21144 H HD3 . LYS B 1 33 ? -14.503 2.767 -7.824 1.00 0.00 ? 33 LYS B HD3 15 ATOM 21145 H HE2 . LYS B 1 33 ? -15.507 1.192 -9.751 1.00 0.00 ? 33 LYS B HE2 15 ATOM 21146 H HE3 . LYS B 1 33 ? -15.377 2.705 -10.647 1.00 0.00 ? 33 LYS B HE3 15 ATOM 21147 H HZ1 . LYS B 1 33 ? -13.003 2.671 -9.511 1.00 0.00 ? 33 LYS B HZ1 15 ATOM 21148 H HZ2 . LYS B 1 33 ? -13.273 1.002 -9.563 1.00 0.00 ? 33 LYS B HZ2 15 ATOM 21149 H HZ3 . LYS B 1 33 ? -13.304 1.909 -10.991 1.00 0.00 ? 33 LYS B HZ3 15 ATOM 21150 N N . LEU B 1 34 ? -17.839 2.168 -3.656 1.00 0.00 ? 34 LEU B N 15 ATOM 21151 C CA . LEU B 1 34 ? -19.011 1.916 -2.826 1.00 0.00 ? 34 LEU B CA 15 ATOM 21152 C C . LEU B 1 34 ? -19.289 3.103 -1.910 1.00 0.00 ? 34 LEU B C 15 ATOM 21153 O O . LEU B 1 34 ? -20.444 3.445 -1.656 1.00 0.00 ? 34 LEU B O 15 ATOM 21154 C CB . LEU B 1 34 ? -18.811 0.647 -1.995 1.00 0.00 ? 34 LEU B CB 15 ATOM 21155 C CG . LEU B 1 34 ? -19.082 -0.663 -2.737 1.00 0.00 ? 34 LEU B CG 15 ATOM 21156 C CD1 . LEU B 1 34 ? -18.393 -1.824 -2.040 1.00 0.00 ? 34 LEU B CD1 15 ATOM 21157 C CD2 . LEU B 1 34 ? -20.579 -0.914 -2.843 1.00 0.00 ? 34 LEU B CD2 15 ATOM 21158 H H . LEU B 1 34 ? -17.001 1.694 -3.460 1.00 0.00 ? 34 LEU B H 15 ATOM 21159 H HA . LEU B 1 34 ? -19.856 1.777 -3.483 1.00 0.00 ? 34 LEU B HA 15 ATOM 21160 H HB2 . LEU B 1 34 ? -17.792 0.631 -1.639 1.00 0.00 ? 34 LEU B HB2 15 ATOM 21161 H HB3 . LEU B 1 34 ? -19.473 0.693 -1.143 1.00 0.00 ? 34 LEU B HB3 15 ATOM 21162 H HG . LEU B 1 34 ? -18.683 -0.591 -3.739 1.00 0.00 ? 34 LEU B HG 15 ATOM 21163 H HD11 . LEU B 1 34 ? -18.343 -1.629 -0.978 1.00 0.00 ? 34 LEU B HD11 15 ATOM 21164 H HD12 . LEU B 1 34 ? -18.952 -2.732 -2.213 1.00 0.00 ? 34 LEU B HD12 15 ATOM 21165 H HD13 . LEU B 1 34 ? -17.392 -1.937 -2.431 1.00 0.00 ? 34 LEU B HD13 15 ATOM 21166 H HD21 . LEU B 1 34 ? -21.051 -0.678 -1.901 1.00 0.00 ? 34 LEU B HD21 15 ATOM 21167 H HD22 . LEU B 1 34 ? -20.995 -0.291 -3.621 1.00 0.00 ? 34 LEU B HD22 15 ATOM 21168 H HD23 . LEU B 1 34 ? -20.753 -1.953 -3.082 1.00 0.00 ? 34 LEU B HD23 15 ATOM 21169 N N . LYS B 1 35 ? -18.223 3.727 -1.419 1.00 0.00 ? 35 LYS B N 15 ATOM 21170 C CA . LYS B 1 35 ? -18.354 4.878 -0.533 1.00 0.00 ? 35 LYS B CA 15 ATOM 21171 C C . LYS B 1 35 ? -18.726 6.128 -1.321 1.00 0.00 ? 35 LYS B C 15 ATOM 21172 O O . LYS B 1 35 ? -19.347 7.049 -0.789 1.00 0.00 ? 35 LYS B O 15 ATOM 21173 C CB . LYS B 1 35 ? -17.050 5.112 0.233 1.00 0.00 ? 35 LYS B CB 15 ATOM 21174 C CG . LYS B 1 35 ? -17.077 6.345 1.120 1.00 0.00 ? 35 LYS B CG 15 ATOM 21175 C CD . LYS B 1 35 ? -15.874 7.238 0.868 1.00 0.00 ? 35 LYS B CD 15 ATOM 21176 C CE . LYS B 1 35 ? -14.573 6.526 1.203 1.00 0.00 ? 35 LYS B CE 15 ATOM 21177 N NZ . LYS B 1 35 ? -13.700 7.350 2.084 1.00 0.00 ? 35 LYS B NZ 15 ATOM 21178 H H . LYS B 1 35 ? -17.328 3.408 -1.660 1.00 0.00 ? 35 LYS B H 15 ATOM 21179 H HA . LYS B 1 35 ? -19.142 4.667 0.173 1.00 0.00 ? 35 LYS B HA 15 ATOM 21180 H HB2 . LYS B 1 35 ? -16.852 4.251 0.855 1.00 0.00 ? 35 LYS B HB2 15 ATOM 21181 H HB3 . LYS B 1 35 ? -16.244 5.223 -0.478 1.00 0.00 ? 35 LYS B HB3 15 ATOM 21182 H HG2 . LYS B 1 35 ? -17.977 6.905 0.914 1.00 0.00 ? 35 LYS B HG2 15 ATOM 21183 H HG3 . LYS B 1 35 ? -17.074 6.033 2.154 1.00 0.00 ? 35 LYS B HG3 15 ATOM 21184 H HD2 . LYS B 1 35 ? -15.859 7.522 -0.173 1.00 0.00 ? 35 LYS B HD2 15 ATOM 21185 H HD3 . LYS B 1 35 ? -15.959 8.122 1.483 1.00 0.00 ? 35 LYS B HD3 15 ATOM 21186 H HE2 . LYS B 1 35 ? -14.804 5.599 1.705 1.00 0.00 ? 35 LYS B HE2 15 ATOM 21187 H HE3 . LYS B 1 35 ? -14.046 6.316 0.283 1.00 0.00 ? 35 LYS B HE3 15 ATOM 21188 H HZ1 . LYS B 1 35 ? -13.713 8.342 1.774 1.00 0.00 ? 35 LYS B HZ1 15 ATOM 21189 H HZ2 . LYS B 1 35 ? -14.036 7.302 3.067 1.00 0.00 ? 35 LYS B HZ2 15 ATOM 21190 H HZ3 . LYS B 1 35 ? -12.722 6.998 2.048 1.00 0.00 ? 35 LYS B HZ3 15 ATOM 21191 N N . GLN B 1 36 ? -18.345 6.154 -2.594 1.00 0.00 ? 36 GLN B N 15 ATOM 21192 C CA . GLN B 1 36 ? -18.642 7.290 -3.457 1.00 0.00 ? 36 GLN B CA 15 ATOM 21193 C C . GLN B 1 36 ? -20.096 7.254 -3.912 1.00 0.00 ? 36 GLN B C 15 ATOM 21194 O O . GLN B 1 36 ? -20.711 8.296 -4.141 1.00 0.00 ? 36 GLN B O 15 ATOM 21195 C CB . GLN B 1 36 ? -17.712 7.293 -4.672 1.00 0.00 ? 36 GLN B CB 15 ATOM 21196 C CG . GLN B 1 36 ? -16.370 7.955 -4.409 1.00 0.00 ? 36 GLN B CG 15 ATOM 21197 C CD . GLN B 1 36 ? -16.283 9.350 -4.994 1.00 0.00 ? 36 GLN B CD 15 ATOM 21198 O OE1 . GLN B 1 36 ? -17.300 9.968 -5.310 1.00 0.00 ? 36 GLN B OE1 15 ATOM 21199 N NE2 . GLN B 1 36 ? -15.063 9.854 -5.144 1.00 0.00 ? 36 GLN B NE2 15 ATOM 21200 H H . GLN B 1 36 ? -17.855 5.389 -2.962 1.00 0.00 ? 36 GLN B H 15 ATOM 21201 H HA . GLN B 1 36 ? -18.478 8.192 -2.886 1.00 0.00 ? 36 GLN B HA 15 ATOM 21202 H HB2 . GLN B 1 36 ? -17.533 6.272 -4.976 1.00 0.00 ? 36 GLN B HB2 15 ATOM 21203 H HB3 . GLN B 1 36 ? -18.197 7.819 -5.480 1.00 0.00 ? 36 GLN B HB3 15 ATOM 21204 H HG2 . GLN B 1 36 ? -16.217 8.019 -3.342 1.00 0.00 ? 36 GLN B HG2 15 ATOM 21205 H HG3 . GLN B 1 36 ? -15.591 7.346 -4.846 1.00 0.00 ? 36 GLN B HG3 15 ATOM 21206 H HE21 . GLN B 1 36 ? -14.299 9.305 -4.872 1.00 0.00 ? 36 GLN B HE21 15 ATOM 21207 H HE22 . GLN B 1 36 ? -14.978 10.754 -5.521 1.00 0.00 ? 36 GLN B HE22 15 ATOM 21208 N N . SER B 1 37 ? -20.641 6.049 -4.041 1.00 0.00 ? 37 SER B N 15 ATOM 21209 C CA . SER B 1 37 ? -22.025 5.879 -4.465 1.00 0.00 ? 37 SER B CA 15 ATOM 21210 C C . SER B 1 37 ? -22.985 6.350 -3.379 1.00 0.00 ? 37 SER B C 15 ATOM 21211 O O . SER B 1 37 ? -24.086 6.817 -3.670 1.00 0.00 ? 37 SER B O 15 ATOM 21212 C CB . SER B 1 37 ? -22.299 4.412 -4.804 1.00 0.00 ? 37 SER B CB 15 ATOM 21213 O OG . SER B 1 37 ? -21.534 3.995 -5.921 1.00 0.00 ? 37 SER B OG 15 ATOM 21214 H H . SER B 1 37 ? -20.100 5.256 -3.841 1.00 0.00 ? 37 SER B H 15 ATOM 21215 H HA . SER B 1 37 ? -22.177 6.478 -5.349 1.00 0.00 ? 37 SER B HA 15 ATOM 21216 H HB2 . SER B 1 37 ? -22.042 3.794 -3.957 1.00 0.00 ? 37 SER B HB2 15 ATOM 21217 H HB3 . SER B 1 37 ? -23.347 4.289 -5.034 1.00 0.00 ? 37 SER B HB3 15 ATOM 21218 H HG . SER B 1 37 ? -21.822 4.472 -6.703 1.00 0.00 ? 37 SER B HG 15 ATOM 21219 N N . GLU B 1 38 ? -22.559 6.226 -2.125 1.00 0.00 ? 38 GLU B N 15 ATOM 21220 C CA . GLU B 1 38 ? -23.380 6.641 -0.995 1.00 0.00 ? 38 GLU B CA 15 ATOM 21221 C C . GLU B 1 38 ? -23.620 8.147 -1.025 1.00 0.00 ? 38 GLU B C 15 ATOM 21222 O O . GLU B 1 38 ? -24.682 8.625 -0.625 1.00 0.00 ? 38 GLU B O 15 ATOM 21223 C CB . GLU B 1 38 ? -22.710 6.245 0.322 1.00 0.00 ? 38 GLU B CB 15 ATOM 21224 C CG . GLU B 1 38 ? -23.536 6.588 1.551 1.00 0.00 ? 38 GLU B CG 15 ATOM 21225 C CD . GLU B 1 38 ? -23.229 7.970 2.095 1.00 0.00 ? 38 GLU B CD 15 ATOM 21226 O OE1 . GLU B 1 38 ? -22.242 8.105 2.850 1.00 0.00 ? 38 GLU B OE1 15 ATOM 21227 O OE2 . GLU B 1 38 ? -23.972 8.917 1.764 1.00 0.00 ? 38 GLU B OE2 15 ATOM 21228 H H . GLU B 1 38 ? -21.670 5.846 -1.958 1.00 0.00 ? 38 GLU B H 15 ATOM 21229 H HA . GLU B 1 38 ? -24.330 6.135 -1.071 1.00 0.00 ? 38 GLU B HA 15 ATOM 21230 H HB2 . GLU B 1 38 ? -22.535 5.180 0.318 1.00 0.00 ? 38 GLU B HB2 15 ATOM 21231 H HB3 . GLU B 1 38 ? -21.763 6.757 0.398 1.00 0.00 ? 38 GLU B HB3 15 ATOM 21232 H HG2 . GLU B 1 38 ? -24.583 6.546 1.291 1.00 0.00 ? 38 GLU B HG2 15 ATOM 21233 H HG3 . GLU B 1 38 ? -23.329 5.860 2.323 1.00 0.00 ? 38 GLU B HG3 15 ATOM 21234 N N . ASP B 1 39 ? -22.627 8.889 -1.504 1.00 0.00 ? 39 ASP B N 15 ATOM 21235 C CA . ASP B 1 39 ? -22.729 10.341 -1.587 1.00 0.00 ? 39 ASP B CA 15 ATOM 21236 C C . ASP B 1 39 ? -21.960 10.871 -2.792 1.00 0.00 ? 39 ASP B C 15 ATOM 21237 O O . ASP B 1 39 ? -21.128 11.770 -2.664 1.00 0.00 ? 39 ASP B O 15 ATOM 21238 C CB . ASP B 1 39 ? -22.200 10.986 -0.306 1.00 0.00 ? 39 ASP B CB 15 ATOM 21239 C CG . ASP B 1 39 ? -20.805 10.509 0.049 1.00 0.00 ? 39 ASP B CG 15 ATOM 21240 O OD1 . ASP B 1 39 ? -19.829 11.109 -0.449 1.00 0.00 ? 39 ASP B OD1 15 ATOM 21241 O OD2 . ASP B 1 39 ? -20.689 9.536 0.824 1.00 0.00 ? 39 ASP B OD2 15 ATOM 21242 H H . ASP B 1 39 ? -21.805 8.449 -1.808 1.00 0.00 ? 39 ASP B H 15 ATOM 21243 H HA . ASP B 1 39 ? -23.772 10.593 -1.703 1.00 0.00 ? 39 ASP B HA 15 ATOM 21244 H HB2 . ASP B 1 39 ? -22.171 12.058 -0.434 1.00 0.00 ? 39 ASP B HB2 15 ATOM 21245 H HB3 . ASP B 1 39 ? -22.863 10.743 0.513 1.00 0.00 ? 39 ASP B HB3 15 ATOM 21246 N N . ASP B 1 40 ? -22.242 10.307 -3.963 1.00 0.00 ? 40 ASP B N 15 ATOM 21247 C CA . ASP B 1 40 ? -21.576 10.722 -5.194 1.00 0.00 ? 40 ASP B CA 15 ATOM 21248 C C . ASP B 1 40 ? -21.617 12.239 -5.352 1.00 0.00 ? 40 ASP B C 15 ATOM 21249 O O . ASP B 1 40 ? -22.627 12.878 -5.054 1.00 0.00 ? 40 ASP B O 15 ATOM 21250 C CB . ASP B 1 40 ? -22.232 10.054 -6.403 1.00 0.00 ? 40 ASP B CB 15 ATOM 21251 C CG . ASP B 1 40 ? -21.438 10.262 -7.678 1.00 0.00 ? 40 ASP B CG 15 ATOM 21252 O OD1 . ASP B 1 40 ? -21.091 11.423 -7.980 1.00 0.00 ? 40 ASP B OD1 15 ATOM 21253 O OD2 . ASP B 1 40 ? -21.164 9.262 -8.376 1.00 0.00 ? 40 ASP B OD2 15 ATOM 21254 H H . ASP B 1 40 ? -22.914 9.595 -4.002 1.00 0.00 ? 40 ASP B H 15 ATOM 21255 H HA . ASP B 1 40 ? -20.545 10.406 -5.134 1.00 0.00 ? 40 ASP B HA 15 ATOM 21256 H HB2 . ASP B 1 40 ? -22.314 8.993 -6.221 1.00 0.00 ? 40 ASP B HB2 15 ATOM 21257 H HB3 . ASP B 1 40 ? -23.220 10.469 -6.543 1.00 0.00 ? 40 ASP B HB3 15 ATOM 21258 N N . ASP B 1 41 ? -20.512 12.809 -5.822 1.00 0.00 ? 41 ASP B N 15 ATOM 21259 C CA . ASP B 1 41 ? -20.421 14.251 -6.020 1.00 0.00 ? 41 ASP B CA 15 ATOM 21260 C C . ASP B 1 41 ? -20.833 15.002 -4.757 1.00 0.00 ? 41 ASP B C 15 ATOM 21261 O O . ASP B 1 41 ? -21.136 16.209 -4.860 1.00 0.00 ? 41 ASP B O 15 ATOM 21262 C CB . ASP B 1 41 ? -21.304 14.682 -7.193 1.00 0.00 ? 41 ASP B CB 15 ATOM 21263 C CG . ASP B 1 41 ? -20.750 15.892 -7.920 1.00 0.00 ? 41 ASP B CG 15 ATOM 21264 O OD1 . ASP B 1 41 ? -19.854 15.715 -8.771 1.00 0.00 ? 41 ASP B OD1 15 ATOM 21265 O OD2 . ASP B 1 41 ? -21.214 17.017 -7.637 1.00 0.00 ? 41 ASP B OD2 15 ATOM 21266 O OXT . ASP B 1 41 ? -20.849 14.375 -3.677 1.00 0.00 ? 41 ASP B OXT 15 ATOM 21267 H H . ASP B 1 41 ? -19.740 12.247 -6.041 1.00 0.00 ? 41 ASP B H 15 ATOM 21268 H HA . ASP B 1 41 ? -19.394 14.490 -6.248 1.00 0.00 ? 41 ASP B HA 15 ATOM 21269 H HB2 . ASP B 1 41 ? -21.380 13.867 -7.897 1.00 0.00 ? 41 ASP B HB2 15 ATOM 21270 H HB3 . ASP B 1 41 ? -22.290 14.926 -6.824 1.00 0.00 ? 41 ASP B HB3 15 ATOM 21271 N N . ALA A 1 1 ? -33.454 6.214 4.675 1.00 0.00 ? 1 ALA A N 16 ATOM 21272 C CA . ALA A 1 1 ? -32.974 5.673 3.377 1.00 0.00 ? 1 ALA A CA 16 ATOM 21273 C C . ALA A 1 1 ? -31.470 5.424 3.409 1.00 0.00 ? 1 ALA A C 16 ATOM 21274 O O . ALA A 1 1 ? -30.687 6.230 2.910 1.00 0.00 ? 1 ALA A O 16 ATOM 21275 C CB . ALA A 1 1 ? -33.326 6.628 2.246 1.00 0.00 ? 1 ALA A CB 16 ATOM 21276 H H1 . ALA A 1 1 ? -33.057 5.622 5.432 1.00 0.00 ? 1 ALA A H1 16 ATOM 21277 H H2 . ALA A 1 1 ? -33.118 7.195 4.754 1.00 0.00 ? 1 ALA A H2 16 ATOM 21278 H H3 . ALA A 1 1 ? -34.493 6.172 4.670 1.00 0.00 ? 1 ALA A H3 16 ATOM 21279 H HA . ALA A 1 1 ? -33.478 4.736 3.192 1.00 0.00 ? 1 ALA A HA 16 ATOM 21280 H HB1 . ALA A 1 1 ? -34.377 6.867 2.290 1.00 0.00 ? 1 ALA A HB1 16 ATOM 21281 H HB2 . ALA A 1 1 ? -33.102 6.162 1.297 1.00 0.00 ? 1 ALA A HB2 16 ATOM 21282 H HB3 . ALA A 1 1 ? -32.746 7.534 2.346 1.00 0.00 ? 1 ALA A HB3 16 ATOM 21283 N N . LEU A 1 2 ? -31.075 4.302 4.002 1.00 0.00 ? 2 LEU A N 16 ATOM 21284 C CA . LEU A 1 2 ? -29.664 3.946 4.101 1.00 0.00 ? 2 LEU A CA 16 ATOM 21285 C C . LEU A 1 2 ? -29.477 2.434 4.028 1.00 0.00 ? 2 LEU A C 16 ATOM 21286 O O . LEU A 1 2 ? -30.079 1.687 4.798 1.00 0.00 ? 2 LEU A O 16 ATOM 21287 C CB . LEU A 1 2 ? -29.071 4.483 5.405 1.00 0.00 ? 2 LEU A CB 16 ATOM 21288 C CG . LEU A 1 2 ? -27.721 5.188 5.261 1.00 0.00 ? 2 LEU A CG 16 ATOM 21289 C CD1 . LEU A 1 2 ? -27.370 5.935 6.539 1.00 0.00 ? 2 LEU A CD1 16 ATOM 21290 C CD2 . LEU A 1 2 ? -26.631 4.184 4.912 1.00 0.00 ? 2 LEU A CD2 16 ATOM 21291 H H . LEU A 1 2 ? -31.747 3.699 4.382 1.00 0.00 ? 2 LEU A H 16 ATOM 21292 H HA . LEU A 1 2 ? -29.148 4.402 3.268 1.00 0.00 ? 2 LEU A HA 16 ATOM 21293 H HB2 . LEU A 1 2 ? -29.775 5.181 5.835 1.00 0.00 ? 2 LEU A HB2 16 ATOM 21294 H HB3 . LEU A 1 2 ? -28.948 3.655 6.088 1.00 0.00 ? 2 LEU A HB3 16 ATOM 21295 H HG . LEU A 1 2 ? -27.782 5.908 4.459 1.00 0.00 ? 2 LEU A HG 16 ATOM 21296 H HD11 . LEU A 1 2 ? -28.167 6.622 6.784 1.00 0.00 ? 2 LEU A HD11 16 ATOM 21297 H HD12 . LEU A 1 2 ? -27.242 5.229 7.345 1.00 0.00 ? 2 LEU A HD12 16 ATOM 21298 H HD13 . LEU A 1 2 ? -26.452 6.486 6.392 1.00 0.00 ? 2 LEU A HD13 16 ATOM 21299 H HD21 . LEU A 1 2 ? -26.587 3.421 5.675 1.00 0.00 ? 2 LEU A HD21 16 ATOM 21300 H HD22 . LEU A 1 2 ? -26.855 3.727 3.959 1.00 0.00 ? 2 LEU A HD22 16 ATOM 21301 H HD23 . LEU A 1 2 ? -25.680 4.692 4.853 1.00 0.00 ? 2 LEU A HD23 16 ATOM 21302 N N . LYS A 1 3 ? -28.639 1.992 3.096 1.00 0.00 ? 3 LYS A N 16 ATOM 21303 C CA . LYS A 1 3 ? -28.373 0.568 2.923 1.00 0.00 ? 3 LYS A CA 16 ATOM 21304 C C . LYS A 1 3 ? -27.463 0.046 4.030 1.00 0.00 ? 3 LYS A C 16 ATOM 21305 O O . LYS A 1 3 ? -26.770 0.818 4.693 1.00 0.00 ? 3 LYS A O 16 ATOM 21306 C CB . LYS A 1 3 ? -27.733 0.310 1.557 1.00 0.00 ? 3 LYS A CB 16 ATOM 21307 C CG . LYS A 1 3 ? -28.672 0.560 0.389 1.00 0.00 ? 3 LYS A CG 16 ATOM 21308 C CD . LYS A 1 3 ? -29.056 2.027 0.287 1.00 0.00 ? 3 LYS A CD 16 ATOM 21309 C CE . LYS A 1 3 ? -29.516 2.386 -1.117 1.00 0.00 ? 3 LYS A CE 16 ATOM 21310 N NZ . LYS A 1 3 ? -30.922 1.962 -1.367 1.00 0.00 ? 3 LYS A NZ 16 ATOM 21311 H H . LYS A 1 3 ? -28.189 2.636 2.512 1.00 0.00 ? 3 LYS A H 16 ATOM 21312 H HA . LYS A 1 3 ? -29.316 0.046 2.972 1.00 0.00 ? 3 LYS A HA 16 ATOM 21313 H HB2 . LYS A 1 3 ? -26.876 0.957 1.447 1.00 0.00 ? 3 LYS A HB2 16 ATOM 21314 H HB3 . LYS A 1 3 ? -27.406 -0.718 1.514 1.00 0.00 ? 3 LYS A HB3 16 ATOM 21315 H HG2 . LYS A 1 3 ? -28.181 0.263 -0.526 1.00 0.00 ? 3 LYS A HG2 16 ATOM 21316 H HG3 . LYS A 1 3 ? -29.567 -0.029 0.527 1.00 0.00 ? 3 LYS A HG3 16 ATOM 21317 H HD2 . LYS A 1 3 ? -29.859 2.228 0.980 1.00 0.00 ? 3 LYS A HD2 16 ATOM 21318 H HD3 . LYS A 1 3 ? -28.198 2.632 0.541 1.00 0.00 ? 3 LYS A HD3 16 ATOM 21319 H HE2 . LYS A 1 3 ? -29.444 3.456 -1.243 1.00 0.00 ? 3 LYS A HE2 16 ATOM 21320 H HE3 . LYS A 1 3 ? -28.869 1.897 -1.831 1.00 0.00 ? 3 LYS A HE3 16 ATOM 21321 H HZ1 . LYS A 1 3 ? -31.262 1.372 -0.582 1.00 0.00 ? 3 LYS A HZ1 16 ATOM 21322 H HZ2 . LYS A 1 3 ? -31.537 2.797 -1.453 1.00 0.00 ? 3 LYS A HZ2 16 ATOM 21323 H HZ3 . LYS A 1 3 ? -30.977 1.412 -2.249 1.00 0.00 ? 3 LYS A HZ3 16 ATOM 21324 N N . LYS A 1 4 ? -27.470 -1.269 4.224 1.00 0.00 ? 4 LYS A N 16 ATOM 21325 C CA . LYS A 1 4 ? -26.645 -1.894 5.251 1.00 0.00 ? 4 LYS A CA 16 ATOM 21326 C C . LYS A 1 4 ? -25.575 -2.781 4.624 1.00 0.00 ? 4 LYS A C 16 ATOM 21327 O O . LYS A 1 4 ? -24.401 -2.705 4.986 1.00 0.00 ? 4 LYS A O 16 ATOM 21328 C CB . LYS A 1 4 ? -27.514 -2.719 6.202 1.00 0.00 ? 4 LYS A CB 16 ATOM 21329 C CG . LYS A 1 4 ? -28.741 -1.974 6.704 1.00 0.00 ? 4 LYS A CG 16 ATOM 21330 C CD . LYS A 1 4 ? -29.156 -2.452 8.086 1.00 0.00 ? 4 LYS A CD 16 ATOM 21331 C CE . LYS A 1 4 ? -28.467 -1.655 9.181 1.00 0.00 ? 4 LYS A CE 16 ATOM 21332 N NZ . LYS A 1 4 ? -28.653 -2.276 10.522 1.00 0.00 ? 4 LYS A NZ 16 ATOM 21333 H H . LYS A 1 4 ? -28.043 -1.832 3.663 1.00 0.00 ? 4 LYS A H 16 ATOM 21334 H HA . LYS A 1 4 ? -26.160 -1.108 5.811 1.00 0.00 ? 4 LYS A HA 16 ATOM 21335 H HB2 . LYS A 1 4 ? -27.846 -3.609 5.688 1.00 0.00 ? 4 LYS A HB2 16 ATOM 21336 H HB3 . LYS A 1 4 ? -26.920 -3.007 7.056 1.00 0.00 ? 4 LYS A HB3 16 ATOM 21337 H HG2 . LYS A 1 4 ? -28.515 -0.919 6.751 1.00 0.00 ? 4 LYS A HG2 16 ATOM 21338 H HG3 . LYS A 1 4 ? -29.557 -2.140 6.015 1.00 0.00 ? 4 LYS A HG3 16 ATOM 21339 H HD2 . LYS A 1 4 ? -30.224 -2.338 8.189 1.00 0.00 ? 4 LYS A HD2 16 ATOM 21340 H HD3 . LYS A 1 4 ? -28.891 -3.494 8.190 1.00 0.00 ? 4 LYS A HD3 16 ATOM 21341 H HE2 . LYS A 1 4 ? -27.411 -1.604 8.962 1.00 0.00 ? 4 LYS A HE2 16 ATOM 21342 H HE3 . LYS A 1 4 ? -28.880 -0.657 9.195 1.00 0.00 ? 4 LYS A HE3 16 ATOM 21343 H HZ1 . LYS A 1 4 ? -28.877 -3.286 10.419 1.00 0.00 ? 4 LYS A HZ1 16 ATOM 21344 H HZ2 . LYS A 1 4 ? -27.784 -2.180 11.084 1.00 0.00 ? 4 LYS A HZ2 16 ATOM 21345 H HZ3 . LYS A 1 4 ? -29.433 -1.808 11.026 1.00 0.00 ? 4 LYS A HZ3 16 ATOM 21346 N N . HIS A 1 5 ? -25.988 -3.623 3.681 1.00 0.00 ? 5 HIS A N 16 ATOM 21347 C CA . HIS A 1 5 ? -25.064 -4.524 3.003 1.00 0.00 ? 5 HIS A CA 16 ATOM 21348 C C . HIS A 1 5 ? -23.851 -3.766 2.478 1.00 0.00 ? 5 HIS A C 16 ATOM 21349 O O . HIS A 1 5 ? -22.742 -4.304 2.424 1.00 0.00 ? 5 HIS A O 16 ATOM 21350 C CB . HIS A 1 5 ? -25.771 -5.240 1.850 1.00 0.00 ? 5 HIS A CB 16 ATOM 21351 C CG . HIS A 1 5 ? -26.720 -4.364 1.094 1.00 0.00 ? 5 HIS A CG 16 ATOM 21352 N ND1 . HIS A 1 5 ? -28.064 -4.644 0.965 1.00 0.00 ? 5 HIS A ND1 16 ATOM 21353 C CD2 . HIS A 1 5 ? -26.514 -3.204 0.425 1.00 0.00 ? 5 HIS A CD2 16 ATOM 21354 C CE1 . HIS A 1 5 ? -28.643 -3.697 0.248 1.00 0.00 ? 5 HIS A CE1 16 ATOM 21355 N NE2 . HIS A 1 5 ? -27.724 -2.812 -0.090 1.00 0.00 ? 5 HIS A NE2 16 ATOM 21356 H H . HIS A 1 5 ? -26.936 -3.637 3.436 1.00 0.00 ? 5 HIS A H 16 ATOM 21357 H HA . HIS A 1 5 ? -24.731 -5.260 3.721 1.00 0.00 ? 5 HIS A HA 16 ATOM 21358 H HB2 . HIS A 1 5 ? -25.030 -5.605 1.154 1.00 0.00 ? 5 HIS A HB2 16 ATOM 21359 H HB3 . HIS A 1 5 ? -26.331 -6.076 2.244 1.00 0.00 ? 5 HIS A HB3 16 ATOM 21360 H HD1 . HIS A 1 5 ? -28.526 -5.422 1.342 1.00 0.00 ? 5 HIS A HD1 16 ATOM 21361 H HD2 . HIS A 1 5 ? -25.572 -2.685 0.316 1.00 0.00 ? 5 HIS A HD2 16 ATOM 21362 H HE1 . HIS A 1 5 ? -29.690 -3.653 -0.014 1.00 0.00 ? 5 HIS A HE1 16 ATOM 21363 H HE2 . HIS A 1 5 ? -27.884 -2.006 -0.624 1.00 0.00 ? 5 HIS A HE2 16 ATOM 21364 N N . HIS A 1 6 ? -24.064 -2.511 2.095 1.00 0.00 ? 6 HIS A N 16 ATOM 21365 C CA . HIS A 1 6 ? -22.984 -1.680 1.578 1.00 0.00 ? 6 HIS A CA 16 ATOM 21366 C C . HIS A 1 6 ? -21.915 -1.479 2.639 1.00 0.00 ? 6 HIS A C 16 ATOM 21367 O O . HIS A 1 6 ? -20.755 -1.808 2.423 1.00 0.00 ? 6 HIS A O 16 ATOM 21368 C CB . HIS A 1 6 ? -23.524 -0.328 1.108 1.00 0.00 ? 6 HIS A CB 16 ATOM 21369 C CG . HIS A 1 6 ? -23.352 -0.093 -0.361 1.00 0.00 ? 6 HIS A CG 16 ATOM 21370 N ND1 . HIS A 1 6 ? -23.565 -1.071 -1.311 1.00 0.00 ? 6 HIS A ND1 16 ATOM 21371 C CD2 . HIS A 1 6 ? -22.986 1.018 -1.043 1.00 0.00 ? 6 HIS A CD2 16 ATOM 21372 C CE1 . HIS A 1 6 ? -23.336 -0.572 -2.512 1.00 0.00 ? 6 HIS A CE1 16 ATOM 21373 N NE2 . HIS A 1 6 ? -22.984 0.693 -2.377 1.00 0.00 ? 6 HIS A NE2 16 ATOM 21374 H H . HIS A 1 6 ? -24.966 -2.135 2.164 1.00 0.00 ? 6 HIS A H 16 ATOM 21375 H HA . HIS A 1 6 ? -22.543 -2.198 0.739 1.00 0.00 ? 6 HIS A HA 16 ATOM 21376 H HB2 . HIS A 1 6 ? -24.580 -0.273 1.331 1.00 0.00 ? 6 HIS A HB2 16 ATOM 21377 H HB3 . HIS A 1 6 ? -23.007 0.460 1.635 1.00 0.00 ? 6 HIS A HB3 16 ATOM 21378 H HD1 . HIS A 1 6 ? -23.841 -1.994 -1.130 1.00 0.00 ? 6 HIS A HD1 16 ATOM 21379 H HD2 . HIS A 1 6 ? -22.741 1.981 -0.617 1.00 0.00 ? 6 HIS A HD2 16 ATOM 21380 H HE1 . HIS A 1 6 ? -23.422 -1.107 -3.446 1.00 0.00 ? 6 HIS A HE1 16 ATOM 21381 H HE2 . HIS A 1 6 ? -22.759 1.300 -3.112 1.00 0.00 ? 6 HIS A HE2 16 ATOM 21382 N N . GLU A 1 7 ? -22.315 -0.944 3.786 1.00 0.00 ? 7 GLU A N 16 ATOM 21383 C CA . GLU A 1 7 ? -21.388 -0.711 4.886 1.00 0.00 ? 7 GLU A CA 16 ATOM 21384 C C . GLU A 1 7 ? -20.592 -1.976 5.198 1.00 0.00 ? 7 GLU A C 16 ATOM 21385 O O . GLU A 1 7 ? -19.489 -1.907 5.738 1.00 0.00 ? 7 GLU A O 16 ATOM 21386 C CB . GLU A 1 7 ? -22.148 -0.252 6.133 1.00 0.00 ? 7 GLU A CB 16 ATOM 21387 C CG . GLU A 1 7 ? -22.021 1.238 6.408 1.00 0.00 ? 7 GLU A CG 16 ATOM 21388 C CD . GLU A 1 7 ? -22.943 1.706 7.516 1.00 0.00 ? 7 GLU A CD 16 ATOM 21389 O OE1 . GLU A 1 7 ? -23.696 0.869 8.055 1.00 0.00 ? 7 GLU A OE1 16 ATOM 21390 O OE2 . GLU A 1 7 ? -22.913 2.911 7.844 1.00 0.00 ? 7 GLU A OE2 16 ATOM 21391 H H . GLU A 1 7 ? -23.254 -0.704 3.899 1.00 0.00 ? 7 GLU A H 16 ATOM 21392 H HA . GLU A 1 7 ? -20.704 0.068 4.585 1.00 0.00 ? 7 GLU A HA 16 ATOM 21393 H HB2 . GLU A 1 7 ? -23.195 -0.486 6.009 1.00 0.00 ? 7 GLU A HB2 16 ATOM 21394 H HB3 . GLU A 1 7 ? -21.767 -0.787 6.990 1.00 0.00 ? 7 GLU A HB3 16 ATOM 21395 H HG2 . GLU A 1 7 ? -21.002 1.453 6.694 1.00 0.00 ? 7 GLU A HG2 16 ATOM 21396 H HG3 . GLU A 1 7 ? -22.262 1.779 5.504 1.00 0.00 ? 7 GLU A HG3 16 ATOM 21397 N N . ASN A 1 8 ? -21.158 -3.130 4.853 1.00 0.00 ? 8 ASN A N 16 ATOM 21398 C CA . ASN A 1 8 ? -20.498 -4.410 5.092 1.00 0.00 ? 8 ASN A CA 16 ATOM 21399 C C . ASN A 1 8 ? -19.271 -4.554 4.199 1.00 0.00 ? 8 ASN A C 16 ATOM 21400 O O . ASN A 1 8 ? -18.144 -4.663 4.686 1.00 0.00 ? 8 ASN A O 16 ATOM 21401 C CB . ASN A 1 8 ? -21.468 -5.566 4.840 1.00 0.00 ? 8 ASN A CB 16 ATOM 21402 C CG . ASN A 1 8 ? -21.642 -6.451 6.059 1.00 0.00 ? 8 ASN A CG 16 ATOM 21403 O OD1 . ASN A 1 8 ? -20.668 -6.828 6.710 1.00 0.00 ? 8 ASN A OD1 16 ATOM 21404 N ND2 . ASN A 1 8 ? -22.888 -6.786 6.375 1.00 0.00 ? 8 ASN A ND2 16 ATOM 21405 H H . ASN A 1 8 ? -22.040 -3.122 4.425 1.00 0.00 ? 8 ASN A H 16 ATOM 21406 H HA . ASN A 1 8 ? -20.182 -4.432 6.124 1.00 0.00 ? 8 ASN A HA 16 ATOM 21407 H HB2 . ASN A 1 8 ? -22.433 -5.165 4.569 1.00 0.00 ? 8 ASN A HB2 16 ATOM 21408 H HB3 . ASN A 1 8 ? -21.093 -6.172 4.029 1.00 0.00 ? 8 ASN A HB3 16 ATOM 21409 H HD21 . ASN A 1 8 ? -23.614 -6.450 5.810 1.00 0.00 ? 8 ASN A HD21 16 ATOM 21410 H HD22 . ASN A 1 8 ? -23.029 -7.358 7.157 1.00 0.00 ? 8 ASN A HD22 16 ATOM 21411 N N . GLU A 1 9 ? -19.492 -4.530 2.886 1.00 0.00 ? 9 GLU A N 16 ATOM 21412 C CA . GLU A 1 9 ? -18.393 -4.638 1.932 1.00 0.00 ? 9 GLU A CA 16 ATOM 21413 C C . GLU A 1 9 ? -17.524 -3.377 1.958 1.00 0.00 ? 9 GLU A C 16 ATOM 21414 O O . GLU A 1 9 ? -16.447 -3.340 1.365 1.00 0.00 ? 9 GLU A O 16 ATOM 21415 C CB . GLU A 1 9 ? -18.937 -4.868 0.520 1.00 0.00 ? 9 GLU A CB 16 ATOM 21416 C CG . GLU A 1 9 ? -19.739 -6.150 0.379 1.00 0.00 ? 9 GLU A CG 16 ATOM 21417 C CD . GLU A 1 9 ? -20.065 -6.478 -1.066 1.00 0.00 ? 9 GLU A CD 16 ATOM 21418 O OE1 . GLU A 1 9 ? -19.161 -6.951 -1.785 1.00 0.00 ? 9 GLU A OE1 16 ATOM 21419 O OE2 . GLU A 1 9 ? -21.224 -6.261 -1.476 1.00 0.00 ? 9 GLU A OE2 16 ATOM 21420 H H . GLU A 1 9 ? -20.412 -4.422 2.553 1.00 0.00 ? 9 GLU A H 16 ATOM 21421 H HA . GLU A 1 9 ? -17.787 -5.484 2.218 1.00 0.00 ? 9 GLU A HA 16 ATOM 21422 H HB2 . GLU A 1 9 ? -19.574 -4.038 0.253 1.00 0.00 ? 9 GLU A HB2 16 ATOM 21423 H HB3 . GLU A 1 9 ? -18.107 -4.909 -0.170 1.00 0.00 ? 9 GLU A HB3 16 ATOM 21424 H HG2 . GLU A 1 9 ? -19.168 -6.966 0.796 1.00 0.00 ? 9 GLU A HG2 16 ATOM 21425 H HG3 . GLU A 1 9 ? -20.665 -6.044 0.926 1.00 0.00 ? 9 GLU A HG3 16 ATOM 21426 N N . ILE A 1 10 ? -18.001 -2.347 2.658 1.00 0.00 ? 10 ILE A N 16 ATOM 21427 C CA . ILE A 1 10 ? -17.288 -1.088 2.776 1.00 0.00 ? 10 ILE A CA 16 ATOM 21428 C C . ILE A 1 10 ? -16.363 -1.124 3.989 1.00 0.00 ? 10 ILE A C 16 ATOM 21429 O O . ILE A 1 10 ? -15.330 -0.455 4.018 1.00 0.00 ? 10 ILE A O 16 ATOM 21430 C CB . ILE A 1 10 ? -18.299 0.082 2.888 1.00 0.00 ? 10 ILE A CB 16 ATOM 21431 C CG1 . ILE A 1 10 ? -18.995 0.301 1.544 1.00 0.00 ? 10 ILE A CG1 16 ATOM 21432 C CG2 . ILE A 1 10 ? -17.637 1.371 3.353 1.00 0.00 ? 10 ILE A CG2 16 ATOM 21433 C CD1 . ILE A 1 10 ? -20.149 1.277 1.612 1.00 0.00 ? 10 ILE A CD1 16 ATOM 21434 H H . ILE A 1 10 ? -18.856 -2.437 3.113 1.00 0.00 ? 10 ILE A H 16 ATOM 21435 H HA . ILE A 1 10 ? -16.696 -0.951 1.882 1.00 0.00 ? 10 ILE A HA 16 ATOM 21436 H HB . ILE A 1 10 ? -19.041 -0.190 3.621 1.00 0.00 ? 10 ILE A HB 16 ATOM 21437 H HG12 . ILE A 1 10 ? -18.279 0.684 0.833 1.00 0.00 ? 10 ILE A HG12 16 ATOM 21438 H HG13 . ILE A 1 10 ? -19.378 -0.643 1.187 1.00 0.00 ? 10 ILE A HG13 16 ATOM 21439 H HG21 . ILE A 1 10 ? -17.077 1.184 4.256 1.00 0.00 ? 10 ILE A HG21 16 ATOM 21440 H HG22 . ILE A 1 10 ? -16.973 1.734 2.582 1.00 0.00 ? 10 ILE A HG22 16 ATOM 21441 H HG23 . ILE A 1 10 ? -18.400 2.110 3.550 1.00 0.00 ? 10 ILE A HG23 16 ATOM 21442 H HD11 . ILE A 1 10 ? -20.034 1.910 2.479 1.00 0.00 ? 10 ILE A HD11 16 ATOM 21443 H HD12 . ILE A 1 10 ? -20.158 1.885 0.720 1.00 0.00 ? 10 ILE A HD12 16 ATOM 21444 H HD13 . ILE A 1 10 ? -21.078 0.732 1.686 1.00 0.00 ? 10 ILE A HD13 16 ATOM 21445 N N . SER A 1 11 ? -16.732 -1.926 4.981 1.00 0.00 ? 11 SER A N 16 ATOM 21446 C CA . SER A 1 11 ? -15.925 -2.066 6.182 1.00 0.00 ? 11 SER A CA 16 ATOM 21447 C C . SER A 1 11 ? -14.769 -3.018 5.915 1.00 0.00 ? 11 SER A C 16 ATOM 21448 O O . SER A 1 11 ? -13.688 -2.879 6.487 1.00 0.00 ? 11 SER A O 16 ATOM 21449 C CB . SER A 1 11 ? -16.776 -2.581 7.344 1.00 0.00 ? 11 SER A CB 16 ATOM 21450 O OG . SER A 1 11 ? -17.594 -1.551 7.873 1.00 0.00 ? 11 SER A OG 16 ATOM 21451 H H . SER A 1 11 ? -17.556 -2.448 4.895 1.00 0.00 ? 11 SER A H 16 ATOM 21452 H HA . SER A 1 11 ? -15.528 -1.094 6.432 1.00 0.00 ? 11 SER A HA 16 ATOM 21453 H HB2 . SER A 1 11 ? -17.410 -3.383 6.997 1.00 0.00 ? 11 SER A HB2 16 ATOM 21454 H HB3 . SER A 1 11 ? -16.128 -2.947 8.127 1.00 0.00 ? 11 SER A HB3 16 ATOM 21455 H HG . SER A 1 11 ? -17.114 -0.719 7.856 1.00 0.00 ? 11 SER A HG 16 ATOM 21456 N N . HIS A 1 12 ? -15.005 -3.977 5.025 1.00 0.00 ? 12 HIS A N 16 ATOM 21457 C CA . HIS A 1 12 ? -13.985 -4.944 4.663 1.00 0.00 ? 12 HIS A CA 16 ATOM 21458 C C . HIS A 1 12 ? -12.978 -4.299 3.703 1.00 0.00 ? 12 HIS A C 16 ATOM 21459 O O . HIS A 1 12 ? -11.767 -4.369 3.924 1.00 0.00 ? 12 HIS A O 16 ATOM 21460 C CB . HIS A 1 12 ? -14.655 -6.206 4.071 1.00 0.00 ? 12 HIS A CB 16 ATOM 21461 C CG . HIS A 1 12 ? -13.991 -6.792 2.860 1.00 0.00 ? 12 HIS A CG 16 ATOM 21462 N ND1 . HIS A 1 12 ? -12.944 -7.688 2.927 1.00 0.00 ? 12 HIS A ND1 16 ATOM 21463 C CD2 . HIS A 1 12 ? -14.240 -6.604 1.546 1.00 0.00 ? 12 HIS A CD2 16 ATOM 21464 C CE1 . HIS A 1 12 ? -12.578 -8.025 1.703 1.00 0.00 ? 12 HIS A CE1 16 ATOM 21465 N NE2 . HIS A 1 12 ? -13.350 -7.380 0.847 1.00 0.00 ? 12 HIS A NE2 16 ATOM 21466 H H . HIS A 1 12 ? -15.886 -4.028 4.592 1.00 0.00 ? 12 HIS A H 16 ATOM 21467 H HA . HIS A 1 12 ? -13.463 -5.219 5.568 1.00 0.00 ? 12 HIS A HA 16 ATOM 21468 H HB2 . HIS A 1 12 ? -14.675 -6.973 4.829 1.00 0.00 ? 12 HIS A HB2 16 ATOM 21469 H HB3 . HIS A 1 12 ? -15.672 -5.959 3.801 1.00 0.00 ? 12 HIS A HB3 16 ATOM 21470 H HD1 . HIS A 1 12 ? -12.531 -8.026 3.750 1.00 0.00 ? 12 HIS A HD1 16 ATOM 21471 H HD2 . HIS A 1 12 ? -14.998 -5.956 1.126 1.00 0.00 ? 12 HIS A HD2 16 ATOM 21472 H HE1 . HIS A 1 12 ? -11.784 -8.710 1.446 1.00 0.00 ? 12 HIS A HE1 16 ATOM 21473 H HE2 . HIS A 1 12 ? -13.294 -7.448 -0.129 1.00 0.00 ? 12 HIS A HE2 16 ATOM 21474 N N . HIS A 1 13 ? -13.480 -3.650 2.650 1.00 0.00 ? 13 HIS A N 16 ATOM 21475 C CA . HIS A 1 13 ? -12.601 -2.987 1.698 1.00 0.00 ? 13 HIS A CA 16 ATOM 21476 C C . HIS A 1 13 ? -11.873 -1.835 2.375 1.00 0.00 ? 13 HIS A C 16 ATOM 21477 O O . HIS A 1 13 ? -10.778 -1.457 1.966 1.00 0.00 ? 13 HIS A O 16 ATOM 21478 C CB . HIS A 1 13 ? -13.378 -2.454 0.496 1.00 0.00 ? 13 HIS A CB 16 ATOM 21479 C CG . HIS A 1 13 ? -14.080 -3.504 -0.299 1.00 0.00 ? 13 HIS A CG 16 ATOM 21480 N ND1 . HIS A 1 13 ? -13.607 -4.791 -0.444 1.00 0.00 ? 13 HIS A ND1 16 ATOM 21481 C CD2 . HIS A 1 13 ? -15.226 -3.443 -1.007 1.00 0.00 ? 13 HIS A CD2 16 ATOM 21482 C CE1 . HIS A 1 13 ? -14.437 -5.477 -1.210 1.00 0.00 ? 13 HIS A CE1 16 ATOM 21483 N NE2 . HIS A 1 13 ? -15.429 -4.680 -1.564 1.00 0.00 ? 13 HIS A NE2 16 ATOM 21484 H H . HIS A 1 13 ? -14.454 -3.606 2.523 1.00 0.00 ? 13 HIS A H 16 ATOM 21485 H HA . HIS A 1 13 ? -11.873 -3.708 1.358 1.00 0.00 ? 13 HIS A HA 16 ATOM 21486 H HB2 . HIS A 1 13 ? -14.120 -1.750 0.840 1.00 0.00 ? 13 HIS A HB2 16 ATOM 21487 H HB3 . HIS A 1 13 ? -12.690 -1.948 -0.164 1.00 0.00 ? 13 HIS A HB3 16 ATOM 21488 H HD1 . HIS A 1 13 ? -12.785 -5.148 -0.045 1.00 0.00 ? 13 HIS A HD1 16 ATOM 21489 H HD2 . HIS A 1 13 ? -15.860 -2.575 -1.114 1.00 0.00 ? 13 HIS A HD2 16 ATOM 21490 H HE1 . HIS A 1 13 ? -14.324 -6.512 -1.497 1.00 0.00 ? 13 HIS A HE1 16 ATOM 21491 H HE2 . HIS A 1 13 ? -16.185 -4.934 -2.132 1.00 0.00 ? 13 HIS A HE2 16 ATOM 21492 N N . ALA A 1 14 ? -12.490 -1.279 3.416 1.00 0.00 ? 14 ALA A N 16 ATOM 21493 C CA . ALA A 1 14 ? -11.894 -0.172 4.151 1.00 0.00 ? 14 ALA A CA 16 ATOM 21494 C C . ALA A 1 14 ? -10.650 -0.641 4.888 1.00 0.00 ? 14 ALA A C 16 ATOM 21495 O O . ALA A 1 14 ? -9.593 -0.016 4.806 1.00 0.00 ? 14 ALA A O 16 ATOM 21496 C CB . ALA A 1 14 ? -12.900 0.424 5.125 1.00 0.00 ? 14 ALA A CB 16 ATOM 21497 H H . ALA A 1 14 ? -13.365 -1.623 3.698 1.00 0.00 ? 14 ALA A H 16 ATOM 21498 H HA . ALA A 1 14 ? -11.615 0.592 3.440 1.00 0.00 ? 14 ALA A HA 16 ATOM 21499 H HB1 . ALA A 1 14 ? -13.447 -0.372 5.609 1.00 0.00 ? 14 ALA A HB1 16 ATOM 21500 H HB2 . ALA A 1 14 ? -12.378 1.006 5.869 1.00 0.00 ? 14 ALA A HB2 16 ATOM 21501 H HB3 . ALA A 1 14 ? -13.589 1.059 4.588 1.00 0.00 ? 14 ALA A HB3 16 ATOM 21502 N N . LYS A 1 15 ? -10.780 -1.759 5.593 1.00 0.00 ? 15 LYS A N 16 ATOM 21503 C CA . LYS A 1 15 ? -9.662 -2.327 6.329 1.00 0.00 ? 15 LYS A CA 16 ATOM 21504 C C . LYS A 1 15 ? -8.606 -2.869 5.366 1.00 0.00 ? 15 LYS A C 16 ATOM 21505 O O . LYS A 1 15 ? -7.459 -3.085 5.751 1.00 0.00 ? 15 LYS A O 16 ATOM 21506 C CB . LYS A 1 15 ? -10.147 -3.443 7.255 1.00 0.00 ? 15 LYS A CB 16 ATOM 21507 C CG . LYS A 1 15 ? -9.706 -3.269 8.699 1.00 0.00 ? 15 LYS A CG 16 ATOM 21508 C CD . LYS A 1 15 ? -10.875 -2.906 9.599 1.00 0.00 ? 15 LYS A CD 16 ATOM 21509 C CE . LYS A 1 15 ? -10.457 -2.842 11.060 1.00 0.00 ? 15 LYS A CE 16 ATOM 21510 N NZ . LYS A 1 15 ? -9.977 -1.485 11.441 1.00 0.00 ? 15 LYS A NZ 16 ATOM 21511 H H . LYS A 1 15 ? -11.647 -2.218 5.607 1.00 0.00 ? 15 LYS A H 16 ATOM 21512 H HA . LYS A 1 15 ? -9.221 -1.541 6.923 1.00 0.00 ? 15 LYS A HA 16 ATOM 21513 H HB2 . LYS A 1 15 ? -11.226 -3.471 7.232 1.00 0.00 ? 15 LYS A HB2 16 ATOM 21514 H HB3 . LYS A 1 15 ? -9.764 -4.386 6.896 1.00 0.00 ? 15 LYS A HB3 16 ATOM 21515 H HG2 . LYS A 1 15 ? -9.270 -4.194 9.047 1.00 0.00 ? 15 LYS A HG2 16 ATOM 21516 H HG3 . LYS A 1 15 ? -8.968 -2.481 8.748 1.00 0.00 ? 15 LYS A HG3 16 ATOM 21517 H HD2 . LYS A 1 15 ? -11.259 -1.942 9.303 1.00 0.00 ? 15 LYS A HD2 16 ATOM 21518 H HD3 . LYS A 1 15 ? -11.648 -3.652 9.487 1.00 0.00 ? 15 LYS A HD3 16 ATOM 21519 H HE2 . LYS A 1 15 ? -11.306 -3.101 11.676 1.00 0.00 ? 15 LYS A HE2 16 ATOM 21520 H HE3 . LYS A 1 15 ? -9.663 -3.556 11.224 1.00 0.00 ? 15 LYS A HE3 16 ATOM 21521 H HZ1 . LYS A 1 15 ? -10.431 -0.765 10.845 1.00 0.00 ? 15 LYS A HZ1 16 ATOM 21522 H HZ2 . LYS A 1 15 ? -10.208 -1.292 12.437 1.00 0.00 ? 15 LYS A HZ2 16 ATOM 21523 H HZ3 . LYS A 1 15 ? -8.946 -1.423 11.316 1.00 0.00 ? 15 LYS A HZ3 16 ATOM 21524 N N . GLU A 1 16 ? -9.003 -3.094 4.112 1.00 0.00 ? 16 GLU A N 16 ATOM 21525 C CA . GLU A 1 16 ? -8.088 -3.614 3.103 1.00 0.00 ? 16 GLU A CA 16 ATOM 21526 C C . GLU A 1 16 ? -7.204 -2.510 2.527 1.00 0.00 ? 16 GLU A C 16 ATOM 21527 O O . GLU A 1 16 ? -6.021 -2.731 2.270 1.00 0.00 ? 16 GLU A O 16 ATOM 21528 C CB . GLU A 1 16 ? -8.871 -4.295 1.978 1.00 0.00 ? 16 GLU A CB 16 ATOM 21529 C CG . GLU A 1 16 ? -9.554 -5.584 2.406 1.00 0.00 ? 16 GLU A CG 16 ATOM 21530 C CD . GLU A 1 16 ? -8.656 -6.797 2.256 1.00 0.00 ? 16 GLU A CD 16 ATOM 21531 O OE1 . GLU A 1 16 ? -7.434 -6.612 2.080 1.00 0.00 ? 16 GLU A OE1 16 ATOM 21532 O OE2 . GLU A 1 16 ? -9.176 -7.931 2.316 1.00 0.00 ? 16 GLU A OE2 16 ATOM 21533 H H . GLU A 1 16 ? -9.933 -2.911 3.861 1.00 0.00 ? 16 GLU A H 16 ATOM 21534 H HA . GLU A 1 16 ? -7.455 -4.346 3.581 1.00 0.00 ? 16 GLU A HA 16 ATOM 21535 H HB2 . GLU A 1 16 ? -9.627 -3.614 1.618 1.00 0.00 ? 16 GLU A HB2 16 ATOM 21536 H HB3 . GLU A 1 16 ? -8.191 -4.523 1.170 1.00 0.00 ? 16 GLU A HB3 16 ATOM 21537 H HG2 . GLU A 1 16 ? -9.843 -5.496 3.442 1.00 0.00 ? 16 GLU A HG2 16 ATOM 21538 H HG3 . GLU A 1 16 ? -10.434 -5.728 1.798 1.00 0.00 ? 16 GLU A HG3 16 ATOM 21539 N N . ILE A 1 17 ? -7.773 -1.325 2.326 1.00 0.00 ? 17 ILE A N 16 ATOM 21540 C CA . ILE A 1 17 ? -7.013 -0.204 1.782 1.00 0.00 ? 17 ILE A CA 16 ATOM 21541 C C . ILE A 1 17 ? -6.141 0.430 2.858 1.00 0.00 ? 17 ILE A C 16 ATOM 21542 O O . ILE A 1 17 ? -5.072 0.968 2.570 1.00 0.00 ? 17 ILE A O 16 ATOM 21543 C CB . ILE A 1 17 ? -7.940 0.866 1.169 1.00 0.00 ? 17 ILE A CB 16 ATOM 21544 C CG1 . ILE A 1 17 ? -7.119 2.029 0.595 1.00 0.00 ? 17 ILE A CG1 16 ATOM 21545 C CG2 . ILE A 1 17 ? -8.944 1.358 2.202 1.00 0.00 ? 17 ILE A CG2 16 ATOM 21546 C CD1 . ILE A 1 17 ? -6.638 3.025 1.634 1.00 0.00 ? 17 ILE A CD1 16 ATOM 21547 H H . ILE A 1 17 ? -8.723 -1.198 2.547 1.00 0.00 ? 17 ILE A H 16 ATOM 21548 H HA . ILE A 1 17 ? -6.371 -0.585 0.999 1.00 0.00 ? 17 ILE A HA 16 ATOM 21549 H HB . ILE A 1 17 ? -8.495 0.402 0.366 1.00 0.00 ? 17 ILE A HB 16 ATOM 21550 H HG12 . ILE A 1 17 ? -6.249 1.632 0.096 1.00 0.00 ? 17 ILE A HG12 16 ATOM 21551 H HG13 . ILE A 1 17 ? -7.724 2.565 -0.122 1.00 0.00 ? 17 ILE A HG13 16 ATOM 21552 H HG21 . ILE A 1 17 ? -8.609 1.083 3.190 1.00 0.00 ? 17 ILE A HG21 16 ATOM 21553 H HG22 . ILE A 1 17 ? -9.029 2.433 2.138 1.00 0.00 ? 17 ILE A HG22 16 ATOM 21554 H HG23 . ILE A 1 17 ? -9.908 0.910 2.010 1.00 0.00 ? 17 ILE A HG23 16 ATOM 21555 H HD11 . ILE A 1 17 ? -6.962 2.709 2.613 1.00 0.00 ? 17 ILE A HD11 16 ATOM 21556 H HD12 . ILE A 1 17 ? -5.559 3.076 1.610 1.00 0.00 ? 17 ILE A HD12 16 ATOM 21557 H HD13 . ILE A 1 17 ? -7.050 3.999 1.415 1.00 0.00 ? 17 ILE A HD13 16 ATOM 21558 N N . GLU A 1 18 ? -6.600 0.353 4.103 1.00 0.00 ? 18 GLU A N 16 ATOM 21559 C CA . GLU A 1 18 ? -5.854 0.909 5.223 1.00 0.00 ? 18 GLU A CA 16 ATOM 21560 C C . GLU A 1 18 ? -4.757 -0.052 5.664 1.00 0.00 ? 18 GLU A C 16 ATOM 21561 O O . GLU A 1 18 ? -3.670 0.370 6.064 1.00 0.00 ? 18 GLU A O 16 ATOM 21562 C CB . GLU A 1 18 ? -6.793 1.205 6.394 1.00 0.00 ? 18 GLU A CB 16 ATOM 21563 C CG . GLU A 1 18 ? -6.720 2.641 6.885 1.00 0.00 ? 18 GLU A CG 16 ATOM 21564 C CD . GLU A 1 18 ? -7.830 2.982 7.861 1.00 0.00 ? 18 GLU A CD 16 ATOM 21565 O OE1 . GLU A 1 18 ? -8.158 2.125 8.709 1.00 0.00 ? 18 GLU A OE1 16 ATOM 21566 O OE2 . GLU A 1 18 ? -8.371 4.104 7.777 1.00 0.00 ? 18 GLU A OE2 16 ATOM 21567 H H . GLU A 1 18 ? -7.454 -0.096 4.271 1.00 0.00 ? 18 GLU A H 16 ATOM 21568 H HA . GLU A 1 18 ? -5.399 1.831 4.893 1.00 0.00 ? 18 GLU A HA 16 ATOM 21569 H HB2 . GLU A 1 18 ? -7.810 1.004 6.085 1.00 0.00 ? 18 GLU A HB2 16 ATOM 21570 H HB3 . GLU A 1 18 ? -6.541 0.552 7.217 1.00 0.00 ? 18 GLU A HB3 16 ATOM 21571 H HG2 . GLU A 1 18 ? -5.771 2.792 7.376 1.00 0.00 ? 18 GLU A HG2 16 ATOM 21572 H HG3 . GLU A 1 18 ? -6.793 3.303 6.035 1.00 0.00 ? 18 GLU A HG3 16 ATOM 21573 N N . ARG A 1 19 ? -5.043 -1.348 5.579 1.00 0.00 ? 19 ARG A N 16 ATOM 21574 C CA . ARG A 1 19 ? -4.077 -2.367 5.961 1.00 0.00 ? 19 ARG A CA 16 ATOM 21575 C C . ARG A 1 19 ? -2.988 -2.492 4.905 1.00 0.00 ? 19 ARG A C 16 ATOM 21576 O O . ARG A 1 19 ? -1.825 -2.743 5.222 1.00 0.00 ? 19 ARG A O 16 ATOM 21577 C CB . ARG A 1 19 ? -4.771 -3.716 6.161 1.00 0.00 ? 19 ARG A CB 16 ATOM 21578 C CG . ARG A 1 19 ? -5.541 -3.818 7.467 1.00 0.00 ? 19 ARG A CG 16 ATOM 21579 C CD . ARG A 1 19 ? -6.441 -5.042 7.489 1.00 0.00 ? 19 ARG A CD 16 ATOM 21580 N NE . ARG A 1 19 ? -5.686 -6.274 7.690 1.00 0.00 ? 19 ARG A NE 16 ATOM 21581 C CZ . ARG A 1 19 ? -6.225 -7.487 7.628 1.00 0.00 ? 19 ARG A CZ 16 ATOM 21582 N NH1 . ARG A 1 19 ? -7.518 -7.628 7.371 1.00 0.00 ? 19 ARG A NH1 16 ATOM 21583 N NH2 . ARG A 1 19 ? -5.472 -8.561 7.822 1.00 0.00 ? 19 ARG A NH2 16 ATOM 21584 H H . ARG A 1 19 ? -5.923 -1.624 5.244 1.00 0.00 ? 19 ARG A H 16 ATOM 21585 H HA . ARG A 1 19 ? -3.624 -2.062 6.893 1.00 0.00 ? 19 ARG A HA 16 ATOM 21586 H HB2 . ARG A 1 19 ? -5.461 -3.877 5.347 1.00 0.00 ? 19 ARG A HB2 16 ATOM 21587 H HB3 . ARG A 1 19 ? -4.024 -4.497 6.147 1.00 0.00 ? 19 ARG A HB3 16 ATOM 21588 H HG2 . ARG A 1 19 ? -4.837 -3.886 8.284 1.00 0.00 ? 19 ARG A HG2 16 ATOM 21589 H HG3 . ARG A 1 19 ? -6.148 -2.931 7.585 1.00 0.00 ? 19 ARG A HG3 16 ATOM 21590 H HD2 . ARG A 1 19 ? -7.155 -4.933 8.293 1.00 0.00 ? 19 ARG A HD2 16 ATOM 21591 H HD3 . ARG A 1 19 ? -6.968 -5.102 6.547 1.00 0.00 ? 19 ARG A HD3 16 ATOM 21592 H HE . ARG A 1 19 ? -4.728 -6.193 7.883 1.00 0.00 ? 19 ARG A HE 16 ATOM 21593 H HH11 . ARG A 1 19 ? -8.089 -6.820 7.223 1.00 0.00 ? 19 ARG A HH11 16 ATOM 21594 H HH12 . ARG A 1 19 ? -7.922 -8.541 7.323 1.00 0.00 ? 19 ARG A HH12 16 ATOM 21595 H HH21 . ARG A 1 19 ? -4.496 -8.459 8.016 1.00 0.00 ? 19 ARG A HH21 16 ATOM 21596 H HH22 . ARG A 1 19 ? -5.880 -9.473 7.775 1.00 0.00 ? 19 ARG A HH22 16 ATOM 21597 N N . LEU A 1 20 ? -3.371 -2.304 3.645 1.00 0.00 ? 20 LEU A N 16 ATOM 21598 C CA . LEU A 1 20 ? -2.423 -2.385 2.547 1.00 0.00 ? 20 LEU A CA 16 ATOM 21599 C C . LEU A 1 20 ? -1.488 -1.184 2.574 1.00 0.00 ? 20 LEU A C 16 ATOM 21600 O O . LEU A 1 20 ? -0.288 -1.314 2.339 1.00 0.00 ? 20 LEU A O 16 ATOM 21601 C CB . LEU A 1 20 ? -3.160 -2.450 1.208 1.00 0.00 ? 20 LEU A CB 16 ATOM 21602 C CG . LEU A 1 20 ? -3.908 -3.758 0.944 1.00 0.00 ? 20 LEU A CG 16 ATOM 21603 C CD1 . LEU A 1 20 ? -5.016 -3.543 -0.074 1.00 0.00 ? 20 LEU A CD1 16 ATOM 21604 C CD2 . LEU A 1 20 ? -2.944 -4.835 0.467 1.00 0.00 ? 20 LEU A CD2 16 ATOM 21605 H H . LEU A 1 20 ? -4.310 -2.097 3.452 1.00 0.00 ? 20 LEU A H 16 ATOM 21606 H HA . LEU A 1 20 ? -1.841 -3.285 2.675 1.00 0.00 ? 20 LEU A HA 16 ATOM 21607 H HB2 . LEU A 1 20 ? -3.872 -1.638 1.173 1.00 0.00 ? 20 LEU A HB2 16 ATOM 21608 H HB3 . LEU A 1 20 ? -2.439 -2.309 0.418 1.00 0.00 ? 20 LEU A HB3 16 ATOM 21609 H HG . LEU A 1 20 ? -4.361 -4.099 1.863 1.00 0.00 ? 20 LEU A HG 16 ATOM 21610 H HD11 . LEU A 1 20 ? -5.229 -2.488 -0.157 1.00 0.00 ? 20 LEU A HD11 16 ATOM 21611 H HD12 . LEU A 1 20 ? -4.701 -3.922 -1.035 1.00 0.00 ? 20 LEU A HD12 16 ATOM 21612 H HD13 . LEU A 1 20 ? -5.906 -4.067 0.245 1.00 0.00 ? 20 LEU A HD13 16 ATOM 21613 H HD21 . LEU A 1 20 ? -2.011 -4.377 0.171 1.00 0.00 ? 20 LEU A HD21 16 ATOM 21614 H HD22 . LEU A 1 20 ? -2.764 -5.537 1.267 1.00 0.00 ? 20 LEU A HD22 16 ATOM 21615 H HD23 . LEU A 1 20 ? -3.374 -5.353 -0.378 1.00 0.00 ? 20 LEU A HD23 16 ATOM 21616 N N . GLN A 1 21 ? -2.050 -0.014 2.867 1.00 0.00 ? 21 GLN A N 16 ATOM 21617 C CA . GLN A 1 21 ? -1.268 1.213 2.932 1.00 0.00 ? 21 GLN A CA 16 ATOM 21618 C C . GLN A 1 21 ? -0.208 1.121 4.024 1.00 0.00 ? 21 GLN A C 16 ATOM 21619 O O . GLN A 1 21 ? 0.927 1.560 3.839 1.00 0.00 ? 21 GLN A O 16 ATOM 21620 C CB . GLN A 1 21 ? -2.182 2.412 3.192 1.00 0.00 ? 21 GLN A CB 16 ATOM 21621 C CG . GLN A 1 21 ? -1.558 3.746 2.813 1.00 0.00 ? 21 GLN A CG 16 ATOM 21622 C CD . GLN A 1 21 ? -1.668 4.776 3.920 1.00 0.00 ? 21 GLN A CD 16 ATOM 21623 O OE1 . GLN A 1 21 ? -0.660 5.250 4.444 1.00 0.00 ? 21 GLN A OE1 16 ATOM 21624 N NE2 . GLN A 1 21 ? -2.896 5.128 4.280 1.00 0.00 ? 21 GLN A NE2 16 ATOM 21625 H H . GLN A 1 21 ? -3.014 0.022 3.049 1.00 0.00 ? 21 GLN A H 16 ATOM 21626 H HA . GLN A 1 21 ? -0.778 1.344 1.980 1.00 0.00 ? 21 GLN A HA 16 ATOM 21627 H HB2 . GLN A 1 21 ? -3.091 2.289 2.621 1.00 0.00 ? 21 GLN A HB2 16 ATOM 21628 H HB3 . GLN A 1 21 ? -2.429 2.441 4.243 1.00 0.00 ? 21 GLN A HB3 16 ATOM 21629 H HG2 . GLN A 1 21 ? -0.514 3.590 2.590 1.00 0.00 ? 21 GLN A HG2 16 ATOM 21630 H HG3 . GLN A 1 21 ? -2.060 4.126 1.935 1.00 0.00 ? 21 GLN A HG3 16 ATOM 21631 H HE21 . GLN A 1 21 ? -3.653 4.708 3.819 1.00 0.00 ? 21 GLN A HE21 16 ATOM 21632 H HE22 . GLN A 1 21 ? -2.997 5.792 4.994 1.00 0.00 ? 21 GLN A HE22 16 ATOM 21633 N N . LYS A 1 22 ? -0.583 0.543 5.160 1.00 0.00 ? 22 LYS A N 16 ATOM 21634 C CA . LYS A 1 22 ? 0.342 0.392 6.278 1.00 0.00 ? 22 LYS A CA 16 ATOM 21635 C C . LYS A 1 22 ? 1.512 -0.509 5.893 1.00 0.00 ? 22 LYS A C 16 ATOM 21636 O O . LYS A 1 22 ? 2.664 -0.222 6.219 1.00 0.00 ? 22 LYS A O 16 ATOM 21637 C CB . LYS A 1 22 ? -0.385 -0.186 7.494 1.00 0.00 ? 22 LYS A CB 16 ATOM 21638 C CG . LYS A 1 22 ? 0.295 0.131 8.816 1.00 0.00 ? 22 LYS A CG 16 ATOM 21639 C CD . LYS A 1 22 ? 1.249 -0.976 9.232 1.00 0.00 ? 22 LYS A CD 16 ATOM 21640 C CE . LYS A 1 22 ? 2.696 -0.598 8.960 1.00 0.00 ? 22 LYS A CE 16 ATOM 21641 N NZ . LYS A 1 22 ? 3.464 -0.397 10.221 1.00 0.00 ? 22 LYS A NZ 16 ATOM 21642 H H . LYS A 1 22 ? -1.501 0.209 5.250 1.00 0.00 ? 22 LYS A H 16 ATOM 21643 H HA . LYS A 1 22 ? 0.723 1.370 6.528 1.00 0.00 ? 22 LYS A HA 16 ATOM 21644 H HB2 . LYS A 1 22 ? -1.387 0.215 7.524 1.00 0.00 ? 22 LYS A HB2 16 ATOM 21645 H HB3 . LYS A 1 22 ? -0.438 -1.259 7.390 1.00 0.00 ? 22 LYS A HB3 16 ATOM 21646 H HG2 . LYS A 1 22 ? 0.852 1.051 8.712 1.00 0.00 ? 22 LYS A HG2 16 ATOM 21647 H HG3 . LYS A 1 22 ? -0.460 0.250 9.579 1.00 0.00 ? 22 LYS A HG3 16 ATOM 21648 H HD2 . LYS A 1 22 ? 1.129 -1.164 10.288 1.00 0.00 ? 22 LYS A HD2 16 ATOM 21649 H HD3 . LYS A 1 22 ? 1.010 -1.872 8.676 1.00 0.00 ? 22 LYS A HD3 16 ATOM 21650 H HE2 . LYS A 1 22 ? 3.161 -1.387 8.388 1.00 0.00 ? 22 LYS A HE2 16 ATOM 21651 H HE3 . LYS A 1 22 ? 2.714 0.319 8.388 1.00 0.00 ? 22 LYS A HE3 16 ATOM 21652 H HZ1 . LYS A 1 22 ? 3.008 0.334 10.804 1.00 0.00 ? 22 LYS A HZ1 16 ATOM 21653 H HZ2 . LYS A 1 22 ? 3.501 -1.284 10.760 1.00 0.00 ? 22 LYS A HZ2 16 ATOM 21654 H HZ3 . LYS A 1 22 ? 4.435 -0.096 10.003 1.00 0.00 ? 22 LYS A HZ3 16 ATOM 21655 N N . GLU A 1 23 ? 1.205 -1.601 5.198 1.00 0.00 ? 23 GLU A N 16 ATOM 21656 C CA . GLU A 1 23 ? 2.229 -2.546 4.769 1.00 0.00 ? 23 GLU A CA 16 ATOM 21657 C C . GLU A 1 23 ? 3.233 -1.880 3.831 1.00 0.00 ? 23 GLU A C 16 ATOM 21658 O O . GLU A 1 23 ? 4.438 -2.131 3.915 1.00 0.00 ? 23 GLU A O 16 ATOM 21659 C CB . GLU A 1 23 ? 1.585 -3.746 4.074 1.00 0.00 ? 23 GLU A CB 16 ATOM 21660 C CG . GLU A 1 23 ? 1.948 -5.081 4.704 1.00 0.00 ? 23 GLU A CG 16 ATOM 21661 C CD . GLU A 1 23 ? 3.298 -5.595 4.241 1.00 0.00 ? 23 GLU A CD 16 ATOM 21662 O OE1 . GLU A 1 23 ? 4.241 -4.782 4.146 1.00 0.00 ? 23 GLU A OE1 16 ATOM 21663 O OE2 . GLU A 1 23 ? 3.411 -6.809 3.975 1.00 0.00 ? 23 GLU A OE2 16 ATOM 21664 H H . GLU A 1 23 ? 0.267 -1.775 4.971 1.00 0.00 ? 23 GLU A H 16 ATOM 21665 H HA . GLU A 1 23 ? 2.752 -2.889 5.649 1.00 0.00 ? 23 GLU A HA 16 ATOM 21666 H HB2 . GLU A 1 23 ? 0.511 -3.635 4.113 1.00 0.00 ? 23 GLU A HB2 16 ATOM 21667 H HB3 . GLU A 1 23 ? 1.899 -3.762 3.042 1.00 0.00 ? 23 GLU A HB3 16 ATOM 21668 H HG2 . GLU A 1 23 ? 1.975 -4.963 5.777 1.00 0.00 ? 23 GLU A HG2 16 ATOM 21669 H HG3 . GLU A 1 23 ? 1.194 -5.807 4.440 1.00 0.00 ? 23 GLU A HG3 16 ATOM 21670 N N . ILE A 1 24 ? 2.734 -1.030 2.939 1.00 0.00 ? 24 ILE A N 16 ATOM 21671 C CA . ILE A 1 24 ? 3.602 -0.335 1.992 1.00 0.00 ? 24 ILE A CA 16 ATOM 21672 C C . ILE A 1 24 ? 4.566 0.587 2.742 1.00 0.00 ? 24 ILE A C 16 ATOM 21673 O O . ILE A 1 24 ? 5.725 0.740 2.357 1.00 0.00 ? 24 ILE A O 16 ATOM 21674 C CB . ILE A 1 24 ? 2.794 0.459 0.912 1.00 0.00 ? 24 ILE A CB 16 ATOM 21675 C CG1 . ILE A 1 24 ? 2.571 1.928 1.304 1.00 0.00 ? 24 ILE A CG1 16 ATOM 21676 C CG2 . ILE A 1 24 ? 1.456 -0.208 0.636 1.00 0.00 ? 24 ILE A CG2 16 ATOM 21677 C CD1 . ILE A 1 24 ? 3.695 2.838 0.859 1.00 0.00 ? 24 ILE A CD1 16 ATOM 21678 H H . ILE A 1 24 ? 1.770 -0.865 2.923 1.00 0.00 ? 24 ILE A H 16 ATOM 21679 H HA . ILE A 1 24 ? 4.187 -1.090 1.480 1.00 0.00 ? 24 ILE A HA 16 ATOM 21680 H HB . ILE A 1 24 ? 3.364 0.430 -0.006 1.00 0.00 ? 24 ILE A HB 16 ATOM 21681 H HG12 . ILE A 1 24 ? 1.657 2.282 0.849 1.00 0.00 ? 24 ILE A HG12 16 ATOM 21682 H HG13 . ILE A 1 24 ? 2.487 2.001 2.377 1.00 0.00 ? 24 ILE A HG13 16 ATOM 21683 H HG21 . ILE A 1 24 ? 1.507 -1.250 0.915 1.00 0.00 ? 24 ILE A HG21 16 ATOM 21684 H HG22 . ILE A 1 24 ? 0.685 0.281 1.213 1.00 0.00 ? 24 ILE A HG22 16 ATOM 21685 H HG23 . ILE A 1 24 ? 1.222 -0.127 -0.413 1.00 0.00 ? 24 ILE A HG23 16 ATOM 21686 H HD11 . ILE A 1 24 ? 4.462 2.251 0.371 1.00 0.00 ? 24 ILE A HD11 16 ATOM 21687 H HD12 . ILE A 1 24 ? 3.311 3.573 0.167 1.00 0.00 ? 24 ILE A HD12 16 ATOM 21688 H HD13 . ILE A 1 24 ? 4.116 3.337 1.720 1.00 0.00 ? 24 ILE A HD13 16 ATOM 21689 N N . GLU A 1 25 ? 4.070 1.192 3.818 1.00 0.00 ? 25 GLU A N 16 ATOM 21690 C CA . GLU A 1 25 ? 4.874 2.094 4.631 1.00 0.00 ? 25 GLU A CA 16 ATOM 21691 C C . GLU A 1 25 ? 6.073 1.359 5.215 1.00 0.00 ? 25 GLU A C 16 ATOM 21692 O O . GLU A 1 25 ? 7.192 1.869 5.203 1.00 0.00 ? 25 GLU A O 16 ATOM 21693 C CB . GLU A 1 25 ? 4.029 2.694 5.756 1.00 0.00 ? 25 GLU A CB 16 ATOM 21694 C CG . GLU A 1 25 ? 4.701 3.854 6.470 1.00 0.00 ? 25 GLU A CG 16 ATOM 21695 C CD . GLU A 1 25 ? 3.888 4.369 7.641 1.00 0.00 ? 25 GLU A CD 16 ATOM 21696 O OE1 . GLU A 1 25 ? 3.091 3.585 8.201 1.00 0.00 ? 25 GLU A OE1 16 ATOM 21697 O OE2 . GLU A 1 25 ? 4.046 5.555 7.999 1.00 0.00 ? 25 GLU A OE2 16 ATOM 21698 H H . GLU A 1 25 ? 3.138 1.024 4.071 1.00 0.00 ? 25 GLU A H 16 ATOM 21699 H HA . GLU A 1 25 ? 5.229 2.890 3.994 1.00 0.00 ? 25 GLU A HA 16 ATOM 21700 H HB2 . GLU A 1 25 ? 3.096 3.046 5.341 1.00 0.00 ? 25 GLU A HB2 16 ATOM 21701 H HB3 . GLU A 1 25 ? 3.820 1.923 6.484 1.00 0.00 ? 25 GLU A HB3 16 ATOM 21702 H HG2 . GLU A 1 25 ? 5.663 3.526 6.837 1.00 0.00 ? 25 GLU A HG2 16 ATOM 21703 H HG3 . GLU A 1 25 ? 4.842 4.661 5.766 1.00 0.00 ? 25 GLU A HG3 16 ATOM 21704 N N . ARG A 1 26 ? 5.832 0.153 5.721 1.00 0.00 ? 26 ARG A N 16 ATOM 21705 C CA . ARG A 1 26 ? 6.899 -0.654 6.299 1.00 0.00 ? 26 ARG A CA 16 ATOM 21706 C C . ARG A 1 26 ? 8.012 -0.861 5.281 1.00 0.00 ? 26 ARG A C 16 ATOM 21707 O O . ARG A 1 26 ? 9.187 -0.617 5.566 1.00 0.00 ? 26 ARG A O 16 ATOM 21708 C CB . ARG A 1 26 ? 6.353 -2.007 6.763 1.00 0.00 ? 26 ARG A CB 16 ATOM 21709 C CG . ARG A 1 26 ? 7.417 -2.926 7.339 1.00 0.00 ? 26 ARG A CG 16 ATOM 21710 C CD . ARG A 1 26 ? 6.799 -4.049 8.157 1.00 0.00 ? 26 ARG A CD 16 ATOM 21711 N NE . ARG A 1 26 ? 7.660 -5.227 8.207 1.00 0.00 ? 26 ARG A NE 16 ATOM 21712 C CZ . ARG A 1 26 ? 7.730 -6.129 7.235 1.00 0.00 ? 26 ARG A CZ 16 ATOM 21713 N NH1 . ARG A 1 26 ? 6.994 -5.987 6.141 1.00 0.00 ? 26 ARG A NH1 16 ATOM 21714 N NH2 . ARG A 1 26 ? 8.538 -7.174 7.354 1.00 0.00 ? 26 ARG A NH2 16 ATOM 21715 H H . ARG A 1 26 ? 4.920 -0.204 5.697 1.00 0.00 ? 26 ARG A H 16 ATOM 21716 H HA . ARG A 1 26 ? 7.296 -0.123 7.150 1.00 0.00 ? 26 ARG A HA 16 ATOM 21717 H HB2 . ARG A 1 26 ? 5.603 -1.839 7.521 1.00 0.00 ? 26 ARG A HB2 16 ATOM 21718 H HB3 . ARG A 1 26 ? 5.896 -2.505 5.920 1.00 0.00 ? 26 ARG A HB3 16 ATOM 21719 H HG2 . ARG A 1 26 ? 7.986 -3.357 6.529 1.00 0.00 ? 26 ARG A HG2 16 ATOM 21720 H HG3 . ARG A 1 26 ? 8.072 -2.349 7.974 1.00 0.00 ? 26 ARG A HG3 16 ATOM 21721 H HD2 . ARG A 1 26 ? 6.632 -3.694 9.163 1.00 0.00 ? 26 ARG A HD2 16 ATOM 21722 H HD3 . ARG A 1 26 ? 5.854 -4.323 7.711 1.00 0.00 ? 26 ARG A HD3 16 ATOM 21723 H HE . ARG A 1 26 ? 8.212 -5.351 9.008 1.00 0.00 ? 26 ARG A HE 16 ATOM 21724 H HH11 . ARG A 1 26 ? 6.385 -5.200 6.048 1.00 0.00 ? 26 ARG A HH11 16 ATOM 21725 H HH12 . ARG A 1 26 ? 7.049 -6.668 5.410 1.00 0.00 ? 26 ARG A HH12 16 ATOM 21726 H HH21 . ARG A 1 26 ? 9.095 -7.285 8.177 1.00 0.00 ? 26 ARG A HH21 16 ATOM 21727 H HH22 . ARG A 1 26 ? 8.590 -7.853 6.622 1.00 0.00 ? 26 ARG A HH22 16 ATOM 21728 N N . HIS A 1 27 ? 7.634 -1.299 4.085 1.00 0.00 ? 27 HIS A N 16 ATOM 21729 C CA . HIS A 1 27 ? 8.598 -1.525 3.017 1.00 0.00 ? 27 HIS A CA 16 ATOM 21730 C C . HIS A 1 27 ? 9.265 -0.213 2.613 1.00 0.00 ? 27 HIS A C 16 ATOM 21731 O O . HIS A 1 27 ? 10.376 -0.206 2.084 1.00 0.00 ? 27 HIS A O 16 ATOM 21732 C CB . HIS A 1 27 ? 7.914 -2.159 1.806 1.00 0.00 ? 27 HIS A CB 16 ATOM 21733 C CG . HIS A 1 27 ? 8.413 -3.534 1.486 1.00 0.00 ? 27 HIS A CG 16 ATOM 21734 N ND1 . HIS A 1 27 ? 9.622 -3.769 0.864 1.00 0.00 ? 27 HIS A ND1 16 ATOM 21735 C CD2 . HIS A 1 27 ? 7.863 -4.751 1.708 1.00 0.00 ? 27 HIS A CD2 16 ATOM 21736 C CE1 . HIS A 1 27 ? 9.792 -5.071 0.714 1.00 0.00 ? 27 HIS A CE1 16 ATOM 21737 N NE2 . HIS A 1 27 ? 8.739 -5.688 1.219 1.00 0.00 ? 27 HIS A NE2 16 ATOM 21738 H H . HIS A 1 27 ? 6.681 -1.466 3.914 1.00 0.00 ? 27 HIS A H 16 ATOM 21739 H HA . HIS A 1 27 ? 9.354 -2.201 3.388 1.00 0.00 ? 27 HIS A HA 16 ATOM 21740 H HB2 . HIS A 1 27 ? 6.853 -2.229 1.995 1.00 0.00 ? 27 HIS A HB2 16 ATOM 21741 H HB3 . HIS A 1 27 ? 8.078 -1.534 0.939 1.00 0.00 ? 27 HIS A HB3 16 ATOM 21742 H HD1 . HIS A 1 27 ? 10.260 -3.084 0.573 1.00 0.00 ? 27 HIS A HD1 16 ATOM 21743 H HD2 . HIS A 1 27 ? 6.912 -4.947 2.181 1.00 0.00 ? 27 HIS A HD2 16 ATOM 21744 H HE1 . HIS A 1 27 ? 10.647 -5.549 0.260 1.00 0.00 ? 27 HIS A HE1 16 ATOM 21745 H HE2 . HIS A 1 27 ? 8.607 -6.659 1.240 1.00 0.00 ? 27 HIS A HE2 16 ATOM 21746 N N . LYS A 1 28 ? 8.577 0.898 2.868 1.00 0.00 ? 28 LYS A N 16 ATOM 21747 C CA . LYS A 1 28 ? 9.100 2.216 2.535 1.00 0.00 ? 28 LYS A CA 16 ATOM 21748 C C . LYS A 1 28 ? 10.131 2.668 3.564 1.00 0.00 ? 28 LYS A C 16 ATOM 21749 O O . LYS A 1 28 ? 11.001 3.487 3.267 1.00 0.00 ? 28 LYS A O 16 ATOM 21750 C CB . LYS A 1 28 ? 7.961 3.235 2.455 1.00 0.00 ? 28 LYS A CB 16 ATOM 21751 C CG . LYS A 1 28 ? 8.312 4.478 1.654 1.00 0.00 ? 28 LYS A CG 16 ATOM 21752 C CD . LYS A 1 28 ? 7.875 5.745 2.372 1.00 0.00 ? 28 LYS A CD 16 ATOM 21753 C CE . LYS A 1 28 ? 6.401 6.035 2.141 1.00 0.00 ? 28 LYS A CE 16 ATOM 21754 N NZ . LYS A 1 28 ? 5.972 7.297 2.803 1.00 0.00 ? 28 LYS A NZ 16 ATOM 21755 H H . LYS A 1 28 ? 7.698 0.828 3.293 1.00 0.00 ? 28 LYS A H 16 ATOM 21756 H HA . LYS A 1 28 ? 9.578 2.148 1.571 1.00 0.00 ? 28 LYS A HA 16 ATOM 21757 H HB2 . LYS A 1 28 ? 7.106 2.764 1.993 1.00 0.00 ? 28 LYS A HB2 16 ATOM 21758 H HB3 . LYS A 1 28 ? 7.697 3.540 3.456 1.00 0.00 ? 28 LYS A HB3 16 ATOM 21759 H HG2 . LYS A 1 28 ? 9.382 4.510 1.509 1.00 0.00 ? 28 LYS A HG2 16 ATOM 21760 H HG3 . LYS A 1 28 ? 7.817 4.428 0.695 1.00 0.00 ? 28 LYS A HG3 16 ATOM 21761 H HD2 . LYS A 1 28 ? 8.045 5.624 3.431 1.00 0.00 ? 28 LYS A HD2 16 ATOM 21762 H HD3 . LYS A 1 28 ? 8.459 6.576 2.004 1.00 0.00 ? 28 LYS A HD3 16 ATOM 21763 H HE2 . LYS A 1 28 ? 6.225 6.120 1.078 1.00 0.00 ? 28 LYS A HE2 16 ATOM 21764 H HE3 . LYS A 1 28 ? 5.819 5.215 2.536 1.00 0.00 ? 28 LYS A HE3 16 ATOM 21765 H HZ1 . LYS A 1 28 ? 6.731 8.006 2.746 1.00 0.00 ? 28 LYS A HZ1 16 ATOM 21766 H HZ2 . LYS A 1 28 ? 5.122 7.675 2.338 1.00 0.00 ? 28 LYS A HZ2 16 ATOM 21767 H HZ3 . LYS A 1 28 ? 5.754 7.120 3.805 1.00 0.00 ? 28 LYS A HZ3 16 ATOM 21768 N N . GLN A 1 29 ? 10.030 2.127 4.774 1.00 0.00 ? 29 GLN A N 16 ATOM 21769 C CA . GLN A 1 29 ? 10.956 2.473 5.844 1.00 0.00 ? 29 GLN A CA 16 ATOM 21770 C C . GLN A 1 29 ? 12.291 1.768 5.643 1.00 0.00 ? 29 GLN A C 16 ATOM 21771 O O . GLN A 1 29 ? 13.353 2.349 5.867 1.00 0.00 ? 29 GLN A O 16 ATOM 21772 C CB . GLN A 1 29 ? 10.364 2.096 7.203 1.00 0.00 ? 29 GLN A CB 16 ATOM 21773 C CG . GLN A 1 29 ? 11.008 2.825 8.371 1.00 0.00 ? 29 GLN A CG 16 ATOM 21774 C CD . GLN A 1 29 ? 10.051 3.775 9.064 1.00 0.00 ? 29 GLN A CD 16 ATOM 21775 O OE1 . GLN A 1 29 ? 9.203 3.354 9.851 1.00 0.00 ? 29 GLN A OE1 16 ATOM 21776 N NE2 . GLN A 1 29 ? 10.181 5.063 8.774 1.00 0.00 ? 29 GLN A NE2 16 ATOM 21777 H H . GLN A 1 29 ? 9.318 1.478 4.950 1.00 0.00 ? 29 GLN A H 16 ATOM 21778 H HA . GLN A 1 29 ? 11.117 3.541 5.813 1.00 0.00 ? 29 GLN A HA 16 ATOM 21779 H HB2 . GLN A 1 29 ? 9.309 2.327 7.200 1.00 0.00 ? 29 GLN A HB2 16 ATOM 21780 H HB3 . GLN A 1 29 ? 10.491 1.034 7.355 1.00 0.00 ? 29 GLN A HB3 16 ATOM 21781 H HG2 . GLN A 1 29 ? 11.351 2.096 9.089 1.00 0.00 ? 29 GLN A HG2 16 ATOM 21782 H HG3 . GLN A 1 29 ? 11.851 3.392 8.004 1.00 0.00 ? 29 GLN A HG3 16 ATOM 21783 H HE21 . GLN A 1 29 ? 10.878 5.326 8.138 1.00 0.00 ? 29 GLN A HE21 16 ATOM 21784 H HE22 . GLN A 1 29 ? 9.575 5.700 9.209 1.00 0.00 ? 29 GLN A HE22 16 ATOM 21785 N N . SER A 1 30 ? 12.229 0.511 5.215 1.00 0.00 ? 30 SER A N 16 ATOM 21786 C CA . SER A 1 30 ? 13.434 -0.275 4.980 1.00 0.00 ? 30 SER A CA 16 ATOM 21787 C C . SER A 1 30 ? 14.184 0.239 3.754 1.00 0.00 ? 30 SER A C 16 ATOM 21788 O O . SER A 1 30 ? 15.412 0.323 3.757 1.00 0.00 ? 30 SER A O 16 ATOM 21789 C CB . SER A 1 30 ? 13.080 -1.751 4.795 1.00 0.00 ? 30 SER A CB 16 ATOM 21790 O OG . SER A 1 30 ? 13.061 -2.430 6.038 1.00 0.00 ? 30 SER A OG 16 ATOM 21791 H H . SER A 1 30 ? 11.351 0.103 5.054 1.00 0.00 ? 30 SER A H 16 ATOM 21792 H HA . SER A 1 30 ? 14.071 -0.171 5.845 1.00 0.00 ? 30 SER A HA 16 ATOM 21793 H HB2 . SER A 1 30 ? 12.103 -1.830 4.341 1.00 0.00 ? 30 SER A HB2 16 ATOM 21794 H HB3 . SER A 1 30 ? 13.814 -2.218 4.155 1.00 0.00 ? 30 SER A HB3 16 ATOM 21795 H HG . SER A 1 30 ? 12.847 -3.355 5.895 1.00 0.00 ? 30 SER A HG 16 ATOM 21796 N N . ILE A 1 31 ? 13.438 0.583 2.709 1.00 0.00 ? 31 ILE A N 16 ATOM 21797 C CA . ILE A 1 31 ? 14.034 1.090 1.480 1.00 0.00 ? 31 ILE A CA 16 ATOM 21798 C C . ILE A 1 31 ? 14.482 2.537 1.650 1.00 0.00 ? 31 ILE A C 16 ATOM 21799 O O . ILE A 1 31 ? 15.416 2.992 0.992 1.00 0.00 ? 31 ILE A O 16 ATOM 21800 C CB . ILE A 1 31 ? 13.045 0.996 0.304 1.00 0.00 ? 31 ILE A CB 16 ATOM 21801 C CG1 . ILE A 1 31 ? 13.673 1.531 -0.983 1.00 0.00 ? 31 ILE A CG1 16 ATOM 21802 C CG2 . ILE A 1 31 ? 11.767 1.751 0.625 1.00 0.00 ? 31 ILE A CG2 16 ATOM 21803 C CD1 . ILE A 1 31 ? 14.602 0.546 -1.653 1.00 0.00 ? 31 ILE A CD1 16 ATOM 21804 H H . ILE A 1 31 ? 12.462 0.497 2.767 1.00 0.00 ? 31 ILE A H 16 ATOM 21805 H HA . ILE A 1 31 ? 14.896 0.481 1.251 1.00 0.00 ? 31 ILE A HA 16 ATOM 21806 H HB . ILE A 1 31 ? 12.793 -0.044 0.164 1.00 0.00 ? 31 ILE A HB 16 ATOM 21807 H HG12 . ILE A 1 31 ? 12.886 1.771 -1.684 1.00 0.00 ? 31 ILE A HG12 16 ATOM 21808 H HG13 . ILE A 1 31 ? 14.235 2.425 -0.761 1.00 0.00 ? 31 ILE A HG13 16 ATOM 21809 H HG21 . ILE A 1 31 ? 11.757 2.011 1.673 1.00 0.00 ? 31 ILE A HG21 16 ATOM 21810 H HG22 . ILE A 1 31 ? 11.721 2.650 0.030 1.00 0.00 ? 31 ILE A HG22 16 ATOM 21811 H HG23 . ILE A 1 31 ? 10.914 1.127 0.401 1.00 0.00 ? 31 ILE A HG23 16 ATOM 21812 H HD11 . ILE A 1 31 ? 15.289 0.145 -0.923 1.00 0.00 ? 31 ILE A HD11 16 ATOM 21813 H HD12 . ILE A 1 31 ? 14.023 -0.258 -2.081 1.00 0.00 ? 31 ILE A HD12 16 ATOM 21814 H HD13 . ILE A 1 31 ? 15.155 1.047 -2.433 1.00 0.00 ? 31 ILE A HD13 16 ATOM 21815 N N . LYS A 1 32 ? 13.810 3.255 2.546 1.00 0.00 ? 32 LYS A N 16 ATOM 21816 C CA . LYS A 1 32 ? 14.142 4.649 2.810 1.00 0.00 ? 32 LYS A CA 16 ATOM 21817 C C . LYS A 1 32 ? 15.360 4.750 3.721 1.00 0.00 ? 32 LYS A C 16 ATOM 21818 O O . LYS A 1 32 ? 16.091 5.740 3.690 1.00 0.00 ? 32 LYS A O 16 ATOM 21819 C CB . LYS A 1 32 ? 12.951 5.367 3.449 1.00 0.00 ? 32 LYS A CB 16 ATOM 21820 C CG . LYS A 1 32 ? 13.232 6.819 3.799 1.00 0.00 ? 32 LYS A CG 16 ATOM 21821 C CD . LYS A 1 32 ? 11.964 7.656 3.765 1.00 0.00 ? 32 LYS A CD 16 ATOM 21822 C CE . LYS A 1 32 ? 11.560 7.998 2.340 1.00 0.00 ? 32 LYS A CE 16 ATOM 21823 N NZ . LYS A 1 32 ? 11.838 9.424 2.011 1.00 0.00 ? 32 LYS A NZ 16 ATOM 21824 H H . LYS A 1 32 ? 13.078 2.834 3.043 1.00 0.00 ? 32 LYS A H 16 ATOM 21825 H HA . LYS A 1 32 ? 14.371 5.121 1.867 1.00 0.00 ? 32 LYS A HA 16 ATOM 21826 H HB2 . LYS A 1 32 ? 12.118 5.340 2.762 1.00 0.00 ? 32 LYS A HB2 16 ATOM 21827 H HB3 . LYS A 1 32 ? 12.676 4.848 4.355 1.00 0.00 ? 32 LYS A HB3 16 ATOM 21828 H HG2 . LYS A 1 32 ? 13.655 6.865 4.791 1.00 0.00 ? 32 LYS A HG2 16 ATOM 21829 H HG3 . LYS A 1 32 ? 13.937 7.221 3.086 1.00 0.00 ? 32 LYS A HG3 16 ATOM 21830 H HD2 . LYS A 1 32 ? 11.165 7.100 4.231 1.00 0.00 ? 32 LYS A HD2 16 ATOM 21831 H HD3 . LYS A 1 32 ? 12.134 8.572 4.312 1.00 0.00 ? 32 LYS A HD3 16 ATOM 21832 H HE2 . LYS A 1 32 ? 12.113 7.366 1.661 1.00 0.00 ? 32 LYS A HE2 16 ATOM 21833 H HE3 . LYS A 1 32 ? 10.503 7.811 2.225 1.00 0.00 ? 32 LYS A HE3 16 ATOM 21834 H HZ1 . LYS A 1 32 ? 11.490 10.041 2.771 1.00 0.00 ? 32 LYS A HZ1 16 ATOM 21835 H HZ2 . LYS A 1 32 ? 12.862 9.571 1.900 1.00 0.00 ? 32 LYS A HZ2 16 ATOM 21836 H HZ3 . LYS A 1 32 ? 11.364 9.684 1.123 1.00 0.00 ? 32 LYS A HZ3 16 ATOM 21837 N N . LYS A 1 33 ? 15.574 3.716 4.528 1.00 0.00 ? 33 LYS A N 16 ATOM 21838 C CA . LYS A 1 33 ? 16.707 3.686 5.446 1.00 0.00 ? 33 LYS A CA 16 ATOM 21839 C C . LYS A 1 33 ? 17.989 3.318 4.707 1.00 0.00 ? 33 LYS A C 16 ATOM 21840 O O . LYS A 1 33 ? 19.057 3.864 4.985 1.00 0.00 ? 33 LYS A O 16 ATOM 21841 C CB . LYS A 1 33 ? 16.451 2.687 6.576 1.00 0.00 ? 33 LYS A CB 16 ATOM 21842 C CG . LYS A 1 33 ? 17.621 2.538 7.533 1.00 0.00 ? 33 LYS A CG 16 ATOM 21843 C CD . LYS A 1 33 ? 17.187 1.920 8.853 1.00 0.00 ? 33 LYS A CD 16 ATOM 21844 C CE . LYS A 1 33 ? 17.843 0.567 9.077 1.00 0.00 ? 33 LYS A CE 16 ATOM 21845 N NZ . LYS A 1 33 ? 19.139 0.692 9.800 1.00 0.00 ? 33 LYS A NZ 16 ATOM 21846 H H . LYS A 1 33 ? 14.958 2.954 4.506 1.00 0.00 ? 33 LYS A H 16 ATOM 21847 H HA . LYS A 1 33 ? 16.819 4.673 5.868 1.00 0.00 ? 33 LYS A HA 16 ATOM 21848 H HB2 . LYS A 1 33 ? 15.590 3.014 7.141 1.00 0.00 ? 33 LYS A HB2 16 ATOM 21849 H HB3 . LYS A 1 33 ? 16.240 1.719 6.145 1.00 0.00 ? 33 LYS A HB3 16 ATOM 21850 H HG2 . LYS A 1 33 ? 18.367 1.903 7.079 1.00 0.00 ? 33 LYS A HG2 16 ATOM 21851 H HG3 . LYS A 1 33 ? 18.044 3.513 7.724 1.00 0.00 ? 33 LYS A HG3 16 ATOM 21852 H HD2 . LYS A 1 33 ? 17.465 2.582 9.659 1.00 0.00 ? 33 LYS A HD2 16 ATOM 21853 H HD3 . LYS A 1 33 ? 16.114 1.793 8.843 1.00 0.00 ? 33 LYS A HD3 16 ATOM 21854 H HE2 . LYS A 1 33 ? 17.175 -0.051 9.659 1.00 0.00 ? 33 LYS A HE2 16 ATOM 21855 H HE3 . LYS A 1 33 ? 18.018 0.103 8.118 1.00 0.00 ? 33 LYS A HE3 16 ATOM 21856 H HZ1 . LYS A 1 33 ? 19.135 1.544 10.397 1.00 0.00 ? 33 LYS A HZ1 16 ATOM 21857 H HZ2 . LYS A 1 33 ? 19.294 -0.140 10.404 1.00 0.00 ? 33 LYS A HZ2 16 ATOM 21858 H HZ3 . LYS A 1 33 ? 19.923 0.763 9.119 1.00 0.00 ? 33 LYS A HZ3 16 ATOM 21859 N N . LEU A 1 34 ? 17.875 2.390 3.762 1.00 0.00 ? 34 LEU A N 16 ATOM 21860 C CA . LEU A 1 34 ? 19.024 1.950 2.981 1.00 0.00 ? 34 LEU A CA 16 ATOM 21861 C C . LEU A 1 34 ? 19.424 3.013 1.961 1.00 0.00 ? 34 LEU A C 16 ATOM 21862 O O . LEU A 1 34 ? 20.602 3.169 1.642 1.00 0.00 ? 34 LEU A O 16 ATOM 21863 C CB . LEU A 1 34 ? 18.711 0.634 2.268 1.00 0.00 ? 34 LEU A CB 16 ATOM 21864 C CG . LEU A 1 34 ? 19.281 -0.618 2.937 1.00 0.00 ? 34 LEU A CG 16 ATOM 21865 C CD1 . LEU A 1 34 ? 18.211 -1.693 3.057 1.00 0.00 ? 34 LEU A CD1 16 ATOM 21866 C CD2 . LEU A 1 34 ? 20.478 -1.139 2.159 1.00 0.00 ? 34 LEU A CD2 16 ATOM 21867 H H . LEU A 1 34 ? 16.997 1.993 3.586 1.00 0.00 ? 34 LEU A H 16 ATOM 21868 H HA . LEU A 1 34 ? 19.847 1.794 3.660 1.00 0.00 ? 34 LEU A HA 16 ATOM 21869 H HB2 . LEU A 1 34 ? 17.636 0.529 2.208 1.00 0.00 ? 34 LEU A HB2 16 ATOM 21870 H HB3 . LEU A 1 34 ? 19.105 0.689 1.264 1.00 0.00 ? 34 LEU A HB3 16 ATOM 21871 H HG . LEU A 1 34 ? 19.612 -0.364 3.934 1.00 0.00 ? 34 LEU A HG 16 ATOM 21872 H HD11 . LEU A 1 34 ? 17.241 -1.227 3.139 1.00 0.00 ? 34 LEU A HD11 16 ATOM 21873 H HD12 . LEU A 1 34 ? 18.235 -2.323 2.181 1.00 0.00 ? 34 LEU A HD12 16 ATOM 21874 H HD13 . LEU A 1 34 ? 18.399 -2.290 3.937 1.00 0.00 ? 34 LEU A HD13 16 ATOM 21875 H HD21 . LEU A 1 34 ? 20.979 -0.314 1.674 1.00 0.00 ? 34 LEU A HD21 16 ATOM 21876 H HD22 . LEU A 1 34 ? 21.162 -1.628 2.836 1.00 0.00 ? 34 LEU A HD22 16 ATOM 21877 H HD23 . LEU A 1 34 ? 20.143 -1.845 1.412 1.00 0.00 ? 34 LEU A HD23 16 ATOM 21878 N N . LYS A 1 35 ? 18.433 3.740 1.455 1.00 0.00 ? 35 LYS A N 16 ATOM 21879 C CA . LYS A 1 35 ? 18.682 4.790 0.473 1.00 0.00 ? 35 LYS A CA 16 ATOM 21880 C C . LYS A 1 35 ? 19.245 6.037 1.145 1.00 0.00 ? 35 LYS A C 16 ATOM 21881 O O . LYS A 1 35 ? 20.043 6.766 0.555 1.00 0.00 ? 35 LYS A O 16 ATOM 21882 C CB . LYS A 1 35 ? 17.393 5.135 -0.274 1.00 0.00 ? 35 LYS A CB 16 ATOM 21883 C CG . LYS A 1 35 ? 17.600 6.097 -1.433 1.00 0.00 ? 35 LYS A CG 16 ATOM 21884 C CD . LYS A 1 35 ? 16.291 6.405 -2.141 1.00 0.00 ? 35 LYS A CD 16 ATOM 21885 C CE . LYS A 1 35 ? 15.783 5.204 -2.922 1.00 0.00 ? 35 LYS A CE 16 ATOM 21886 N NZ . LYS A 1 35 ? 14.359 5.367 -3.327 1.00 0.00 ? 35 LYS A NZ 16 ATOM 21887 H H . LYS A 1 35 ? 17.514 3.570 1.749 1.00 0.00 ? 35 LYS A H 16 ATOM 21888 H HA . LYS A 1 35 ? 19.409 4.416 -0.233 1.00 0.00 ? 35 LYS A HA 16 ATOM 21889 H HB2 . LYS A 1 35 ? 16.960 4.225 -0.662 1.00 0.00 ? 35 LYS A HB2 16 ATOM 21890 H HB3 . LYS A 1 35 ? 16.698 5.586 0.419 1.00 0.00 ? 35 LYS A HB3 16 ATOM 21891 H HG2 . LYS A 1 35 ? 18.018 7.017 -1.053 1.00 0.00 ? 35 LYS A HG2 16 ATOM 21892 H HG3 . LYS A 1 35 ? 18.285 5.651 -2.139 1.00 0.00 ? 35 LYS A HG3 16 ATOM 21893 H HD2 . LYS A 1 35 ? 15.551 6.683 -1.406 1.00 0.00 ? 35 LYS A HD2 16 ATOM 21894 H HD3 . LYS A 1 35 ? 16.448 7.228 -2.824 1.00 0.00 ? 35 LYS A HD3 16 ATOM 21895 H HE2 . LYS A 1 35 ? 16.389 5.084 -3.808 1.00 0.00 ? 35 LYS A HE2 16 ATOM 21896 H HE3 . LYS A 1 35 ? 15.875 4.324 -2.303 1.00 0.00 ? 35 LYS A HE3 16 ATOM 21897 H HZ1 . LYS A 1 35 ? 14.219 6.292 -3.777 1.00 0.00 ? 35 LYS A HZ1 16 ATOM 21898 H HZ2 . LYS A 1 35 ? 14.093 4.621 -4.001 1.00 0.00 ? 35 LYS A HZ2 16 ATOM 21899 H HZ3 . LYS A 1 35 ? 13.741 5.302 -2.493 1.00 0.00 ? 35 LYS A HZ3 16 ATOM 21900 N N . GLN A 1 36 ? 18.825 6.276 2.383 1.00 0.00 ? 36 GLN A N 16 ATOM 21901 C CA . GLN A 1 36 ? 19.289 7.435 3.136 1.00 0.00 ? 36 GLN A CA 16 ATOM 21902 C C . GLN A 1 36 ? 20.715 7.223 3.633 1.00 0.00 ? 36 GLN A C 16 ATOM 21903 O O . GLN A 1 36 ? 21.480 8.176 3.783 1.00 0.00 ? 36 GLN A O 16 ATOM 21904 C CB . GLN A 1 36 ? 18.359 7.706 4.320 1.00 0.00 ? 36 GLN A CB 16 ATOM 21905 C CG . GLN A 1 36 ? 18.743 8.935 5.128 1.00 0.00 ? 36 GLN A CG 16 ATOM 21906 C CD . GLN A 1 36 ? 17.856 9.137 6.341 1.00 0.00 ? 36 GLN A CD 16 ATOM 21907 O OE1 . GLN A 1 36 ? 17.177 10.155 6.465 1.00 0.00 ? 36 GLN A OE1 16 ATOM 21908 N NE2 . GLN A 1 36 ? 17.860 8.164 7.244 1.00 0.00 ? 36 GLN A NE2 16 ATOM 21909 H H . GLN A 1 36 ? 18.190 5.658 2.800 1.00 0.00 ? 36 GLN A H 16 ATOM 21910 H HA . GLN A 1 36 ? 19.274 8.289 2.476 1.00 0.00 ? 36 GLN A HA 16 ATOM 21911 H HB2 . GLN A 1 36 ? 17.354 7.844 3.950 1.00 0.00 ? 36 GLN A HB2 16 ATOM 21912 H HB3 . GLN A 1 36 ? 18.376 6.850 4.980 1.00 0.00 ? 36 GLN A HB3 16 ATOM 21913 H HG2 . GLN A 1 36 ? 19.764 8.827 5.461 1.00 0.00 ? 36 GLN A HG2 16 ATOM 21914 H HG3 . GLN A 1 36 ? 18.663 9.806 4.492 1.00 0.00 ? 36 GLN A HG3 16 ATOM 21915 H HE21 . GLN A 1 36 ? 18.426 7.381 7.080 1.00 0.00 ? 36 GLN A HE21 16 ATOM 21916 H HE22 . GLN A 1 36 ? 17.296 8.267 8.039 1.00 0.00 ? 36 GLN A HE22 16 ATOM 21917 N N . SER A 1 37 ? 21.067 5.966 3.884 1.00 0.00 ? 37 SER A N 16 ATOM 21918 C CA . SER A 1 37 ? 22.402 5.627 4.362 1.00 0.00 ? 37 SER A CA 16 ATOM 21919 C C . SER A 1 37 ? 23.431 5.773 3.245 1.00 0.00 ? 37 SER A C 16 ATOM 21920 O O . SER A 1 37 ? 24.611 6.014 3.502 1.00 0.00 ? 37 SER A O 16 ATOM 21921 C CB . SER A 1 37 ? 22.424 4.198 4.908 1.00 0.00 ? 37 SER A CB 16 ATOM 21922 O OG . SER A 1 37 ? 21.637 4.088 6.081 1.00 0.00 ? 37 SER A OG 16 ATOM 21923 H H . SER A 1 37 ? 20.413 5.249 3.744 1.00 0.00 ? 37 SER A H 16 ATOM 21924 H HA . SER A 1 37 ? 22.652 6.312 5.158 1.00 0.00 ? 37 SER A HA 16 ATOM 21925 H HB2 . SER A 1 37 ? 22.032 3.524 4.162 1.00 0.00 ? 37 SER A HB2 16 ATOM 21926 H HB3 . SER A 1 37 ? 23.441 3.922 5.144 1.00 0.00 ? 37 SER A HB3 16 ATOM 21927 H HG . SER A 1 37 ? 21.850 3.268 6.533 1.00 0.00 ? 37 SER A HG 16 ATOM 21928 N N . GLU A 1 38 ? 22.975 5.629 2.006 1.00 0.00 ? 38 GLU A N 16 ATOM 21929 C CA . GLU A 1 38 ? 23.856 5.745 0.849 1.00 0.00 ? 38 GLU A CA 16 ATOM 21930 C C . GLU A 1 38 ? 24.291 7.193 0.641 1.00 0.00 ? 38 GLU A C 16 ATOM 21931 O O . GLU A 1 38 ? 25.365 7.457 0.101 1.00 0.00 ? 38 GLU A O 16 ATOM 21932 C CB . GLU A 1 38 ? 23.154 5.225 -0.407 1.00 0.00 ? 38 GLU A CB 16 ATOM 21933 C CG . GLU A 1 38 ? 23.872 4.058 -1.065 1.00 0.00 ? 38 GLU A CG 16 ATOM 21934 C CD . GLU A 1 38 ? 23.991 4.219 -2.568 1.00 0.00 ? 38 GLU A CD 16 ATOM 21935 O OE1 . GLU A 1 38 ? 23.353 5.141 -3.119 1.00 0.00 ? 38 GLU A OE1 16 ATOM 21936 O OE2 . GLU A 1 38 ? 24.723 3.424 -3.194 1.00 0.00 ? 38 GLU A OE2 16 ATOM 21937 H H . GLU A 1 38 ? 22.023 5.439 1.865 1.00 0.00 ? 38 GLU A H 16 ATOM 21938 H HA . GLU A 1 38 ? 24.731 5.142 1.037 1.00 0.00 ? 38 GLU A HA 16 ATOM 21939 H HB2 . GLU A 1 38 ? 22.158 4.903 -0.142 1.00 0.00 ? 38 GLU A HB2 16 ATOM 21940 H HB3 . GLU A 1 38 ? 23.085 6.028 -1.126 1.00 0.00 ? 38 GLU A HB3 16 ATOM 21941 H HG2 . GLU A 1 38 ? 24.864 3.980 -0.647 1.00 0.00 ? 38 GLU A HG2 16 ATOM 21942 H HG3 . GLU A 1 38 ? 23.322 3.151 -0.857 1.00 0.00 ? 38 GLU A HG3 16 ATOM 21943 N N . ASP A 1 39 ? 23.449 8.125 1.074 1.00 0.00 ? 39 ASP A N 16 ATOM 21944 C CA . ASP A 1 39 ? 23.746 9.546 0.936 1.00 0.00 ? 39 ASP A CA 16 ATOM 21945 C C . ASP A 1 39 ? 24.789 9.986 1.958 1.00 0.00 ? 39 ASP A C 16 ATOM 21946 O O . ASP A 1 39 ? 25.701 10.750 1.640 1.00 0.00 ? 39 ASP A O 16 ATOM 21947 C CB . ASP A 1 39 ? 22.471 10.374 1.104 1.00 0.00 ? 39 ASP A CB 16 ATOM 21948 C CG . ASP A 1 39 ? 21.757 10.610 -0.212 1.00 0.00 ? 39 ASP A CG 16 ATOM 21949 O OD1 . ASP A 1 39 ? 21.181 9.645 -0.758 1.00 0.00 ? 39 ASP A OD1 16 ATOM 21950 O OD2 . ASP A 1 39 ? 21.774 11.760 -0.699 1.00 0.00 ? 39 ASP A OD2 16 ATOM 21951 H H . ASP A 1 39 ? 22.607 7.852 1.497 1.00 0.00 ? 39 ASP A H 16 ATOM 21952 H HA . ASP A 1 39 ? 24.141 9.708 -0.056 1.00 0.00 ? 39 ASP A HA 16 ATOM 21953 H HB2 . ASP A 1 39 ? 21.797 9.856 1.769 1.00 0.00 ? 39 ASP A HB2 16 ATOM 21954 H HB3 . ASP A 1 39 ? 22.725 11.333 1.532 1.00 0.00 ? 39 ASP A HB3 16 ATOM 21955 N N . ASP A 1 40 ? 24.649 9.497 3.186 1.00 0.00 ? 40 ASP A N 16 ATOM 21956 C CA . ASP A 1 40 ? 25.581 9.840 4.255 1.00 0.00 ? 40 ASP A CA 16 ATOM 21957 C C . ASP A 1 40 ? 25.409 8.903 5.446 1.00 0.00 ? 40 ASP A C 16 ATOM 21958 O O . ASP A 1 40 ? 24.295 8.494 5.772 1.00 0.00 ? 40 ASP A O 16 ATOM 21959 C CB . ASP A 1 40 ? 25.371 11.289 4.698 1.00 0.00 ? 40 ASP A CB 16 ATOM 21960 C CG . ASP A 1 40 ? 23.987 11.525 5.269 1.00 0.00 ? 40 ASP A CG 16 ATOM 21961 O OD1 . ASP A 1 40 ? 23.619 10.830 6.240 1.00 0.00 ? 40 ASP A OD1 16 ATOM 21962 O OD2 . ASP A 1 40 ? 23.271 12.404 4.745 1.00 0.00 ? 40 ASP A OD2 16 ATOM 21963 H H . ASP A 1 40 ? 23.902 8.894 3.378 1.00 0.00 ? 40 ASP A H 16 ATOM 21964 H HA . ASP A 1 40 ? 26.583 9.732 3.869 1.00 0.00 ? 40 ASP A HA 16 ATOM 21965 H HB2 . ASP A 1 40 ? 26.100 11.537 5.456 1.00 0.00 ? 40 ASP A HB2 16 ATOM 21966 H HB3 . ASP A 1 40 ? 25.506 11.942 3.848 1.00 0.00 ? 40 ASP A HB3 16 ATOM 21967 N N . ASP A 1 41 ? 26.521 8.565 6.092 1.00 0.00 ? 41 ASP A N 16 ATOM 21968 C CA . ASP A 1 41 ? 26.494 7.676 7.247 1.00 0.00 ? 41 ASP A CA 16 ATOM 21969 C C . ASP A 1 41 ? 26.598 8.469 8.546 1.00 0.00 ? 41 ASP A C 16 ATOM 21970 O O . ASP A 1 41 ? 25.599 8.507 9.295 1.00 0.00 ? 41 ASP A O 16 ATOM 21971 C CB . ASP A 1 41 ? 27.636 6.662 7.163 1.00 0.00 ? 41 ASP A CB 16 ATOM 21972 C CG . ASP A 1 41 ? 27.341 5.538 6.188 1.00 0.00 ? 41 ASP A CG 16 ATOM 21973 O OD1 . ASP A 1 41 ? 26.552 4.636 6.543 1.00 0.00 ? 41 ASP A OD1 16 ATOM 21974 O OD2 . ASP A 1 41 ? 27.897 5.561 5.070 1.00 0.00 ? 41 ASP A OD2 16 ATOM 21975 O OXT . ASP A 1 41 ? 27.677 9.043 8.803 1.00 0.00 ? 41 ASP A OXT 16 ATOM 21976 H H . ASP A 1 41 ? 27.380 8.923 5.784 1.00 0.00 ? 41 ASP A H 16 ATOM 21977 H HA . ASP A 1 41 ? 25.553 7.147 7.236 1.00 0.00 ? 41 ASP A HA 16 ATOM 21978 H HB2 . ASP A 1 41 ? 28.535 7.166 6.840 1.00 0.00 ? 41 ASP A HB2 16 ATOM 21979 H HB3 . ASP A 1 41 ? 27.801 6.231 8.140 1.00 0.00 ? 41 ASP A HB3 16 ATOM 21980 N N . ALA B 1 1 ? 33.454 6.216 -4.673 1.00 0.00 ? 1 ALA B N 16 ATOM 21981 C CA . ALA B 1 1 ? 32.974 5.675 -3.375 1.00 0.00 ? 1 ALA B CA 16 ATOM 21982 C C . ALA B 1 1 ? 31.470 5.426 -3.409 1.00 0.00 ? 1 ALA B C 16 ATOM 21983 O O . ALA B 1 1 ? 30.686 6.232 -2.908 1.00 0.00 ? 1 ALA B O 16 ATOM 21984 C CB . ALA B 1 1 ? 33.326 6.628 -2.244 1.00 0.00 ? 1 ALA B CB 16 ATOM 21985 H H1 . ALA B 1 1 ? 33.058 5.625 -5.430 1.00 0.00 ? 1 ALA B H1 16 ATOM 21986 H H2 . ALA B 1 1 ? 33.118 7.197 -4.751 1.00 0.00 ? 1 ALA B H2 16 ATOM 21987 H H3 . ALA B 1 1 ? 34.494 6.174 -4.668 1.00 0.00 ? 1 ALA B H3 16 ATOM 21988 H HA . ALA B 1 1 ? 33.478 4.737 -3.191 1.00 0.00 ? 1 ALA B HA 16 ATOM 21989 H HB1 . ALA B 1 1 ? 32.746 7.534 -2.344 1.00 0.00 ? 1 ALA B HB1 16 ATOM 21990 H HB2 . ALA B 1 1 ? 33.102 6.161 -1.295 1.00 0.00 ? 1 ALA B HB2 16 ATOM 21991 H HB3 . ALA B 1 1 ? 34.378 6.868 -2.288 1.00 0.00 ? 1 ALA B HB3 16 ATOM 21992 N N . LEU B 1 2 ? 31.075 4.304 -4.002 1.00 0.00 ? 2 LEU B N 16 ATOM 21993 C CA . LEU B 1 2 ? 29.663 3.949 -4.100 1.00 0.00 ? 2 LEU B CA 16 ATOM 21994 C C . LEU B 1 2 ? 29.477 2.437 -4.027 1.00 0.00 ? 2 LEU B C 16 ATOM 21995 O O . LEU B 1 2 ? 30.079 1.690 -4.799 1.00 0.00 ? 2 LEU B O 16 ATOM 21996 C CB . LEU B 1 2 ? 29.070 4.487 -5.404 1.00 0.00 ? 2 LEU B CB 16 ATOM 21997 C CG . LEU B 1 2 ? 27.721 5.191 -5.259 1.00 0.00 ? 2 LEU B CG 16 ATOM 21998 C CD1 . LEU B 1 2 ? 27.370 5.939 -6.536 1.00 0.00 ? 2 LEU B CD1 16 ATOM 21999 C CD2 . LEU B 1 2 ? 26.631 4.187 -4.912 1.00 0.00 ? 2 LEU B CD2 16 ATOM 22000 H H . LEU B 1 2 ? 31.747 3.701 -4.381 1.00 0.00 ? 2 LEU B H 16 ATOM 22001 H HA . LEU B 1 2 ? 29.148 4.404 -3.267 1.00 0.00 ? 2 LEU B HA 16 ATOM 22002 H HB2 . LEU B 1 2 ? 29.775 5.184 -5.833 1.00 0.00 ? 2 LEU B HB2 16 ATOM 22003 H HB3 . LEU B 1 2 ? 28.948 3.659 -6.087 1.00 0.00 ? 2 LEU B HB3 16 ATOM 22004 H HG . LEU B 1 2 ? 27.782 5.911 -4.457 1.00 0.00 ? 2 LEU B HG 16 ATOM 22005 H HD11 . LEU B 1 2 ? 28.167 6.626 -6.782 1.00 0.00 ? 2 LEU B HD11 16 ATOM 22006 H HD12 . LEU B 1 2 ? 27.242 5.233 -7.344 1.00 0.00 ? 2 LEU B HD12 16 ATOM 22007 H HD13 . LEU B 1 2 ? 26.452 6.489 -6.391 1.00 0.00 ? 2 LEU B HD13 16 ATOM 22008 H HD21 . LEU B 1 2 ? 26.587 3.424 -5.676 1.00 0.00 ? 2 LEU B HD21 16 ATOM 22009 H HD22 . LEU B 1 2 ? 26.855 3.729 -3.959 1.00 0.00 ? 2 LEU B HD22 16 ATOM 22010 H HD23 . LEU B 1 2 ? 25.680 4.694 -4.853 1.00 0.00 ? 2 LEU B HD23 16 ATOM 22011 N N . LYS B 1 3 ? 28.638 1.993 -3.096 1.00 0.00 ? 3 LYS B N 16 ATOM 22012 C CA . LYS B 1 3 ? 28.372 0.570 -2.924 1.00 0.00 ? 3 LYS B CA 16 ATOM 22013 C C . LYS B 1 3 ? 27.463 0.048 -4.031 1.00 0.00 ? 3 LYS B C 16 ATOM 22014 O O . LYS B 1 3 ? 26.770 0.820 -4.694 1.00 0.00 ? 3 LYS B O 16 ATOM 22015 C CB . LYS B 1 3 ? 27.732 0.312 -1.558 1.00 0.00 ? 3 LYS B CB 16 ATOM 22016 C CG . LYS B 1 3 ? 28.671 0.560 -0.390 1.00 0.00 ? 3 LYS B CG 16 ATOM 22017 C CD . LYS B 1 3 ? 29.056 2.027 -0.287 1.00 0.00 ? 3 LYS B CD 16 ATOM 22018 C CE . LYS B 1 3 ? 29.516 2.385 1.117 1.00 0.00 ? 3 LYS B CE 16 ATOM 22019 N NZ . LYS B 1 3 ? 30.921 1.961 1.367 1.00 0.00 ? 3 LYS B NZ 16 ATOM 22020 H H . LYS B 1 3 ? 28.189 2.638 -2.512 1.00 0.00 ? 3 LYS B H 16 ATOM 22021 H HA . LYS B 1 3 ? 29.316 0.048 -2.974 1.00 0.00 ? 3 LYS B HA 16 ATOM 22022 H HB2 . LYS B 1 3 ? 26.875 0.959 -1.448 1.00 0.00 ? 3 LYS B HB2 16 ATOM 22023 H HB3 . LYS B 1 3 ? 27.405 -0.716 -1.516 1.00 0.00 ? 3 LYS B HB3 16 ATOM 22024 H HG2 . LYS B 1 3 ? 28.180 0.263 0.525 1.00 0.00 ? 3 LYS B HG2 16 ATOM 22025 H HG3 . LYS B 1 3 ? 29.566 -0.029 -0.528 1.00 0.00 ? 3 LYS B HG3 16 ATOM 22026 H HD2 . LYS B 1 3 ? 29.860 2.228 -0.980 1.00 0.00 ? 3 LYS B HD2 16 ATOM 22027 H HD3 . LYS B 1 3 ? 28.199 2.633 -0.541 1.00 0.00 ? 3 LYS B HD3 16 ATOM 22028 H HE2 . LYS B 1 3 ? 29.445 3.455 1.243 1.00 0.00 ? 3 LYS B HE2 16 ATOM 22029 H HE3 . LYS B 1 3 ? 28.869 1.897 1.830 1.00 0.00 ? 3 LYS B HE3 16 ATOM 22030 H HZ1 . LYS B 1 3 ? 31.263 1.372 0.581 1.00 0.00 ? 3 LYS B HZ1 16 ATOM 22031 H HZ2 . LYS B 1 3 ? 31.537 2.796 1.451 1.00 0.00 ? 3 LYS B HZ2 16 ATOM 22032 H HZ3 . LYS B 1 3 ? 30.978 1.411 2.247 1.00 0.00 ? 3 LYS B HZ3 16 ATOM 22033 N N . LYS B 1 4 ? 27.470 -1.267 -4.226 1.00 0.00 ? 4 LYS B N 16 ATOM 22034 C CA . LYS B 1 4 ? 26.645 -1.891 -5.254 1.00 0.00 ? 4 LYS B CA 16 ATOM 22035 C C . LYS B 1 4 ? 25.575 -2.779 -4.627 1.00 0.00 ? 4 LYS B C 16 ATOM 22036 O O . LYS B 1 4 ? 24.401 -2.702 -4.990 1.00 0.00 ? 4 LYS B O 16 ATOM 22037 C CB . LYS B 1 4 ? 27.515 -2.715 -6.205 1.00 0.00 ? 4 LYS B CB 16 ATOM 22038 C CG . LYS B 1 4 ? 28.741 -1.970 -6.706 1.00 0.00 ? 4 LYS B CG 16 ATOM 22039 C CD . LYS B 1 4 ? 29.156 -2.447 -8.089 1.00 0.00 ? 4 LYS B CD 16 ATOM 22040 C CE . LYS B 1 4 ? 28.467 -1.649 -9.183 1.00 0.00 ? 4 LYS B CE 16 ATOM 22041 N NZ . LYS B 1 4 ? 28.653 -2.269 -10.524 1.00 0.00 ? 4 LYS B NZ 16 ATOM 22042 H H . LYS B 1 4 ? 28.043 -1.829 -3.665 1.00 0.00 ? 4 LYS B H 16 ATOM 22043 H HA . LYS B 1 4 ? 26.160 -1.105 -5.813 1.00 0.00 ? 4 LYS B HA 16 ATOM 22044 H HB2 . LYS B 1 4 ? 27.847 -3.605 -5.691 1.00 0.00 ? 4 LYS B HB2 16 ATOM 22045 H HB3 . LYS B 1 4 ? 26.920 -3.002 -7.060 1.00 0.00 ? 4 LYS B HB3 16 ATOM 22046 H HG2 . LYS B 1 4 ? 28.515 -0.915 -6.754 1.00 0.00 ? 4 LYS B HG2 16 ATOM 22047 H HG3 . LYS B 1 4 ? 29.557 -2.135 -6.018 1.00 0.00 ? 4 LYS B HG3 16 ATOM 22048 H HD2 . LYS B 1 4 ? 30.224 -2.333 -8.192 1.00 0.00 ? 4 LYS B HD2 16 ATOM 22049 H HD3 . LYS B 1 4 ? 28.891 -3.489 -8.194 1.00 0.00 ? 4 LYS B HD3 16 ATOM 22050 H HE2 . LYS B 1 4 ? 27.410 -1.599 -8.964 1.00 0.00 ? 4 LYS B HE2 16 ATOM 22051 H HE3 . LYS B 1 4 ? 28.878 -0.651 -9.197 1.00 0.00 ? 4 LYS B HE3 16 ATOM 22052 H HZ1 . LYS B 1 4 ? 28.876 -3.280 -10.423 1.00 0.00 ? 4 LYS B HZ1 16 ATOM 22053 H HZ2 . LYS B 1 4 ? 27.783 -2.174 -11.087 1.00 0.00 ? 4 LYS B HZ2 16 ATOM 22054 H HZ3 . LYS B 1 4 ? 29.433 -1.802 -11.029 1.00 0.00 ? 4 LYS B HZ3 16 ATOM 22055 N N . HIS B 1 5 ? 25.988 -3.621 -3.685 1.00 0.00 ? 5 HIS B N 16 ATOM 22056 C CA . HIS B 1 5 ? 25.064 -4.523 -3.008 1.00 0.00 ? 5 HIS B CA 16 ATOM 22057 C C . HIS B 1 5 ? 23.850 -3.765 -2.482 1.00 0.00 ? 5 HIS B C 16 ATOM 22058 O O . HIS B 1 5 ? 22.742 -4.303 -2.429 1.00 0.00 ? 5 HIS B O 16 ATOM 22059 C CB . HIS B 1 5 ? 25.771 -5.239 -1.855 1.00 0.00 ? 5 HIS B CB 16 ATOM 22060 C CG . HIS B 1 5 ? 26.720 -4.363 -1.099 1.00 0.00 ? 5 HIS B CG 16 ATOM 22061 N ND1 . HIS B 1 5 ? 28.065 -4.643 -0.971 1.00 0.00 ? 5 HIS B ND1 16 ATOM 22062 C CD2 . HIS B 1 5 ? 26.514 -3.205 -0.428 1.00 0.00 ? 5 HIS B CD2 16 ATOM 22063 C CE1 . HIS B 1 5 ? 28.644 -3.696 -0.254 1.00 0.00 ? 5 HIS B CE1 16 ATOM 22064 N NE2 . HIS B 1 5 ? 27.724 -2.812 0.087 1.00 0.00 ? 5 HIS B NE2 16 ATOM 22065 H H . HIS B 1 5 ? 26.936 -3.635 -3.439 1.00 0.00 ? 5 HIS B H 16 ATOM 22066 H HA . HIS B 1 5 ? 24.731 -5.258 -3.726 1.00 0.00 ? 5 HIS B HA 16 ATOM 22067 H HB2 . HIS B 1 5 ? 25.030 -5.605 -1.160 1.00 0.00 ? 5 HIS B HB2 16 ATOM 22068 H HB3 . HIS B 1 5 ? 26.331 -6.075 -2.250 1.00 0.00 ? 5 HIS B HB3 16 ATOM 22069 H HD1 . HIS B 1 5 ? 28.526 -5.421 -1.349 1.00 0.00 ? 5 HIS B HD1 16 ATOM 22070 H HD2 . HIS B 1 5 ? 25.571 -2.687 -0.318 1.00 0.00 ? 5 HIS B HD2 16 ATOM 22071 H HE1 . HIS B 1 5 ? 29.690 -3.652 0.008 1.00 0.00 ? 5 HIS B HE1 16 ATOM 22072 H HE2 . HIS B 1 5 ? 27.884 -2.007 0.622 1.00 0.00 ? 5 HIS B HE2 16 ATOM 22073 N N . HIS B 1 6 ? 24.064 -2.511 -2.097 1.00 0.00 ? 6 HIS B N 16 ATOM 22074 C CA . HIS B 1 6 ? 22.984 -1.680 -1.580 1.00 0.00 ? 6 HIS B CA 16 ATOM 22075 C C . HIS B 1 6 ? 21.915 -1.478 -2.640 1.00 0.00 ? 6 HIS B C 16 ATOM 22076 O O . HIS B 1 6 ? 20.755 -1.807 -2.425 1.00 0.00 ? 6 HIS B O 16 ATOM 22077 C CB . HIS B 1 6 ? 23.524 -0.329 -1.109 1.00 0.00 ? 6 HIS B CB 16 ATOM 22078 C CG . HIS B 1 6 ? 23.352 -0.095 0.360 1.00 0.00 ? 6 HIS B CG 16 ATOM 22079 N ND1 . HIS B 1 6 ? 23.566 -1.073 1.309 1.00 0.00 ? 6 HIS B ND1 16 ATOM 22080 C CD2 . HIS B 1 6 ? 22.985 1.015 1.043 1.00 0.00 ? 6 HIS B CD2 16 ATOM 22081 C CE1 . HIS B 1 6 ? 23.337 -0.575 2.512 1.00 0.00 ? 6 HIS B CE1 16 ATOM 22082 N NE2 . HIS B 1 6 ? 22.984 0.690 2.377 1.00 0.00 ? 6 HIS B NE2 16 ATOM 22083 H H . HIS B 1 6 ? 24.966 -2.134 -2.166 1.00 0.00 ? 6 HIS B H 16 ATOM 22084 H HA . HIS B 1 6 ? 22.543 -2.199 -0.741 1.00 0.00 ? 6 HIS B HA 16 ATOM 22085 H HB2 . HIS B 1 6 ? 24.579 -0.273 -1.331 1.00 0.00 ? 6 HIS B HB2 16 ATOM 22086 H HB3 . HIS B 1 6 ? 23.007 0.460 -1.635 1.00 0.00 ? 6 HIS B HB3 16 ATOM 22087 H HD1 . HIS B 1 6 ? 23.844 -1.996 1.128 1.00 0.00 ? 6 HIS B HD1 16 ATOM 22088 H HD2 . HIS B 1 6 ? 22.740 1.979 0.618 1.00 0.00 ? 6 HIS B HD2 16 ATOM 22089 H HE1 . HIS B 1 6 ? 23.424 -1.111 3.445 1.00 0.00 ? 6 HIS B HE1 16 ATOM 22090 H HE2 . HIS B 1 6 ? 22.758 1.296 3.113 1.00 0.00 ? 6 HIS B HE2 16 ATOM 22091 N N . GLU B 1 7 ? 22.315 -0.942 -3.788 1.00 0.00 ? 7 GLU B N 16 ATOM 22092 C CA . GLU B 1 7 ? 21.388 -0.708 -4.887 1.00 0.00 ? 7 GLU B CA 16 ATOM 22093 C C . GLU B 1 7 ? 20.592 -1.972 -5.201 1.00 0.00 ? 7 GLU B C 16 ATOM 22094 O O . GLU B 1 7 ? 19.489 -1.904 -5.740 1.00 0.00 ? 7 GLU B O 16 ATOM 22095 C CB . GLU B 1 7 ? 22.148 -0.248 -6.133 1.00 0.00 ? 7 GLU B CB 16 ATOM 22096 C CG . GLU B 1 7 ? 22.021 1.241 -6.408 1.00 0.00 ? 7 GLU B CG 16 ATOM 22097 C CD . GLU B 1 7 ? 22.943 1.710 -7.516 1.00 0.00 ? 7 GLU B CD 16 ATOM 22098 O OE1 . GLU B 1 7 ? 23.696 0.873 -8.056 1.00 0.00 ? 7 GLU B OE1 16 ATOM 22099 O OE2 . GLU B 1 7 ? 22.913 2.915 -7.844 1.00 0.00 ? 7 GLU B OE2 16 ATOM 22100 H H . GLU B 1 7 ? 23.255 -0.703 -3.900 1.00 0.00 ? 7 GLU B H 16 ATOM 22101 H HA . GLU B 1 7 ? 20.704 0.070 -4.586 1.00 0.00 ? 7 GLU B HA 16 ATOM 22102 H HB2 . GLU B 1 7 ? 23.195 -0.482 -6.009 1.00 0.00 ? 7 GLU B HB2 16 ATOM 22103 H HB3 . GLU B 1 7 ? 21.768 -0.784 -6.991 1.00 0.00 ? 7 GLU B HB3 16 ATOM 22104 H HG2 . GLU B 1 7 ? 21.002 1.457 -6.694 1.00 0.00 ? 7 GLU B HG2 16 ATOM 22105 H HG3 . GLU B 1 7 ? 22.262 1.782 -5.504 1.00 0.00 ? 7 GLU B HG3 16 ATOM 22106 N N . ASN B 1 8 ? 21.158 -3.128 -4.856 1.00 0.00 ? 8 ASN B N 16 ATOM 22107 C CA . ASN B 1 8 ? 20.497 -4.407 -5.096 1.00 0.00 ? 8 ASN B CA 16 ATOM 22108 C C . ASN B 1 8 ? 19.271 -4.551 -4.202 1.00 0.00 ? 8 ASN B C 16 ATOM 22109 O O . ASN B 1 8 ? 18.144 -4.660 -4.690 1.00 0.00 ? 8 ASN B O 16 ATOM 22110 C CB . ASN B 1 8 ? 21.468 -5.563 -4.846 1.00 0.00 ? 8 ASN B CB 16 ATOM 22111 C CG . ASN B 1 8 ? 21.641 -6.447 -6.065 1.00 0.00 ? 8 ASN B CG 16 ATOM 22112 O OD1 . ASN B 1 8 ? 20.667 -6.824 -6.717 1.00 0.00 ? 8 ASN B OD1 16 ATOM 22113 N ND2 . ASN B 1 8 ? 22.887 -6.783 -6.380 1.00 0.00 ? 8 ASN B ND2 16 ATOM 22114 H H . ASN B 1 8 ? 22.040 -3.120 -4.428 1.00 0.00 ? 8 ASN B H 16 ATOM 22115 H HA . ASN B 1 8 ? 20.182 -4.429 -6.128 1.00 0.00 ? 8 ASN B HA 16 ATOM 22116 H HB2 . ASN B 1 8 ? 22.432 -5.163 -4.574 1.00 0.00 ? 8 ASN B HB2 16 ATOM 22117 H HB3 . ASN B 1 8 ? 21.092 -6.170 -4.034 1.00 0.00 ? 8 ASN B HB3 16 ATOM 22118 H HD21 . ASN B 1 8 ? 23.614 -6.446 -5.816 1.00 0.00 ? 8 ASN B HD21 16 ATOM 22119 H HD22 . ASN B 1 8 ? 23.028 -7.354 -7.165 1.00 0.00 ? 8 ASN B HD22 16 ATOM 22120 N N . GLU B 1 9 ? 19.491 -4.529 -2.891 1.00 0.00 ? 9 GLU B N 16 ATOM 22121 C CA . GLU B 1 9 ? 18.393 -4.637 -1.936 1.00 0.00 ? 9 GLU B CA 16 ATOM 22122 C C . GLU B 1 9 ? 17.524 -3.376 -1.961 1.00 0.00 ? 9 GLU B C 16 ATOM 22123 O O . GLU B 1 9 ? 16.447 -3.339 -1.368 1.00 0.00 ? 9 GLU B O 16 ATOM 22124 C CB . GLU B 1 9 ? 18.936 -4.868 -0.524 1.00 0.00 ? 9 GLU B CB 16 ATOM 22125 C CG . GLU B 1 9 ? 19.739 -6.152 -0.385 1.00 0.00 ? 9 GLU B CG 16 ATOM 22126 C CD . GLU B 1 9 ? 20.065 -6.480 1.058 1.00 0.00 ? 9 GLU B CD 16 ATOM 22127 O OE1 . GLU B 1 9 ? 19.162 -6.953 1.779 1.00 0.00 ? 9 GLU B OE1 16 ATOM 22128 O OE2 . GLU B 1 9 ? 21.225 -6.264 1.469 1.00 0.00 ? 9 GLU B OE2 16 ATOM 22129 H H . GLU B 1 9 ? 20.412 -4.421 -2.557 1.00 0.00 ? 9 GLU B H 16 ATOM 22130 H HA . GLU B 1 9 ? 17.787 -5.483 -2.222 1.00 0.00 ? 9 GLU B HA 16 ATOM 22131 H HB2 . GLU B 1 9 ? 19.573 -4.039 -0.256 1.00 0.00 ? 9 GLU B HB2 16 ATOM 22132 H HB3 . GLU B 1 9 ? 18.106 -4.911 0.165 1.00 0.00 ? 9 GLU B HB3 16 ATOM 22133 H HG2 . GLU B 1 9 ? 19.167 -6.966 -0.803 1.00 0.00 ? 9 GLU B HG2 16 ATOM 22134 H HG3 . GLU B 1 9 ? 20.664 -6.044 -0.933 1.00 0.00 ? 9 GLU B HG3 16 ATOM 22135 N N . ILE B 1 10 ? 18.001 -2.346 -2.660 1.00 0.00 ? 10 ILE B N 16 ATOM 22136 C CA . ILE B 1 10 ? 17.288 -1.087 -2.777 1.00 0.00 ? 10 ILE B CA 16 ATOM 22137 C C . ILE B 1 10 ? 16.363 -1.122 -3.990 1.00 0.00 ? 10 ILE B C 16 ATOM 22138 O O . ILE B 1 10 ? 15.330 -0.452 -4.018 1.00 0.00 ? 10 ILE B O 16 ATOM 22139 C CB . ILE B 1 10 ? 18.299 0.083 -2.888 1.00 0.00 ? 10 ILE B CB 16 ATOM 22140 C CG1 . ILE B 1 10 ? 18.995 0.301 -1.544 1.00 0.00 ? 10 ILE B CG1 16 ATOM 22141 C CG2 . ILE B 1 10 ? 17.637 1.374 -3.352 1.00 0.00 ? 10 ILE B CG2 16 ATOM 22142 C CD1 . ILE B 1 10 ? 20.148 1.278 -1.611 1.00 0.00 ? 10 ILE B CD1 16 ATOM 22143 H H . ILE B 1 10 ? 18.856 -2.435 -3.116 1.00 0.00 ? 10 ILE B H 16 ATOM 22144 H HA . ILE B 1 10 ? 16.696 -0.951 -1.884 1.00 0.00 ? 10 ILE B HA 16 ATOM 22145 H HB . ILE B 1 10 ? 19.041 -0.189 -3.621 1.00 0.00 ? 10 ILE B HB 16 ATOM 22146 H HG12 . ILE B 1 10 ? 18.279 0.684 -0.833 1.00 0.00 ? 10 ILE B HG12 16 ATOM 22147 H HG13 . ILE B 1 10 ? 19.379 -0.644 -1.187 1.00 0.00 ? 10 ILE B HG13 16 ATOM 22148 H HG21 . ILE B 1 10 ? 17.077 1.187 -4.255 1.00 0.00 ? 10 ILE B HG21 16 ATOM 22149 H HG22 . ILE B 1 10 ? 16.973 1.736 -2.581 1.00 0.00 ? 10 ILE B HG22 16 ATOM 22150 H HG23 . ILE B 1 10 ? 18.400 2.112 -3.549 1.00 0.00 ? 10 ILE B HG23 16 ATOM 22151 H HD11 . ILE B 1 10 ? 20.034 1.910 -2.478 1.00 0.00 ? 10 ILE B HD11 16 ATOM 22152 H HD12 . ILE B 1 10 ? 20.157 1.887 -0.719 1.00 0.00 ? 10 ILE B HD12 16 ATOM 22153 H HD13 . ILE B 1 10 ? 21.078 0.733 -1.684 1.00 0.00 ? 10 ILE B HD13 16 ATOM 22154 N N . SER B 1 11 ? 16.732 -1.923 -4.983 1.00 0.00 ? 11 SER B N 16 ATOM 22155 C CA . SER B 1 11 ? 15.925 -2.062 -6.183 1.00 0.00 ? 11 SER B CA 16 ATOM 22156 C C . SER B 1 11 ? 14.769 -3.014 -5.917 1.00 0.00 ? 11 SER B C 16 ATOM 22157 O O . SER B 1 11 ? 13.688 -2.875 -6.489 1.00 0.00 ? 11 SER B O 16 ATOM 22158 C CB . SER B 1 11 ? 16.776 -2.576 -7.346 1.00 0.00 ? 11 SER B CB 16 ATOM 22159 O OG . SER B 1 11 ? 17.594 -1.546 -7.875 1.00 0.00 ? 11 SER B OG 16 ATOM 22160 H H . SER B 1 11 ? 17.556 -2.444 -4.897 1.00 0.00 ? 11 SER B H 16 ATOM 22161 H HA . SER B 1 11 ? 15.528 -1.089 -6.434 1.00 0.00 ? 11 SER B HA 16 ATOM 22162 H HB2 . SER B 1 11 ? 17.410 -3.378 -6.999 1.00 0.00 ? 11 SER B HB2 16 ATOM 22163 H HB3 . SER B 1 11 ? 16.128 -2.942 -8.130 1.00 0.00 ? 11 SER B HB3 16 ATOM 22164 H HG . SER B 1 11 ? 17.113 -0.715 -7.857 1.00 0.00 ? 11 SER B HG 16 ATOM 22165 N N . HIS B 1 12 ? 15.005 -3.973 -5.027 1.00 0.00 ? 12 HIS B N 16 ATOM 22166 C CA . HIS B 1 12 ? 13.985 -4.941 -4.666 1.00 0.00 ? 12 HIS B CA 16 ATOM 22167 C C . HIS B 1 12 ? 12.978 -4.297 -3.707 1.00 0.00 ? 12 HIS B C 16 ATOM 22168 O O . HIS B 1 12 ? 11.767 -4.366 -3.928 1.00 0.00 ? 12 HIS B O 16 ATOM 22169 C CB . HIS B 1 12 ? 14.655 -6.203 -4.076 1.00 0.00 ? 12 HIS B CB 16 ATOM 22170 C CG . HIS B 1 12 ? 13.991 -6.790 -2.865 1.00 0.00 ? 12 HIS B CG 16 ATOM 22171 N ND1 . HIS B 1 12 ? 12.944 -7.685 -2.932 1.00 0.00 ? 12 HIS B ND1 16 ATOM 22172 C CD2 . HIS B 1 12 ? 14.241 -6.602 -1.551 1.00 0.00 ? 12 HIS B CD2 16 ATOM 22173 C CE1 . HIS B 1 12 ? 12.578 -8.023 -1.709 1.00 0.00 ? 12 HIS B CE1 16 ATOM 22174 N NE2 . HIS B 1 12 ? 13.350 -7.380 -0.853 1.00 0.00 ? 12 HIS B NE2 16 ATOM 22175 H H . HIS B 1 12 ? 15.886 -4.025 -4.595 1.00 0.00 ? 12 HIS B H 16 ATOM 22176 H HA . HIS B 1 12 ? 13.463 -5.216 -5.572 1.00 0.00 ? 12 HIS B HA 16 ATOM 22177 H HB2 . HIS B 1 12 ? 14.675 -6.969 -4.834 1.00 0.00 ? 12 HIS B HB2 16 ATOM 22178 H HB3 . HIS B 1 12 ? 15.672 -5.957 -3.806 1.00 0.00 ? 12 HIS B HB3 16 ATOM 22179 H HD1 . HIS B 1 12 ? 12.530 -8.022 -3.754 1.00 0.00 ? 12 HIS B HD1 16 ATOM 22180 H HD2 . HIS B 1 12 ? 14.999 -5.956 -1.131 1.00 0.00 ? 12 HIS B HD2 16 ATOM 22181 H HE1 . HIS B 1 12 ? 11.783 -8.708 -1.452 1.00 0.00 ? 12 HIS B HE1 16 ATOM 22182 H HE2 . HIS B 1 12 ? 13.294 -7.449 0.124 1.00 0.00 ? 12 HIS B HE2 16 ATOM 22183 N N . HIS B 1 13 ? 13.480 -3.649 -2.654 1.00 0.00 ? 13 HIS B N 16 ATOM 22184 C CA . HIS B 1 13 ? 12.601 -2.986 -1.700 1.00 0.00 ? 13 HIS B CA 16 ATOM 22185 C C . HIS B 1 13 ? 11.873 -1.833 -2.377 1.00 0.00 ? 13 HIS B C 16 ATOM 22186 O O . HIS B 1 13 ? 10.778 -1.456 -1.967 1.00 0.00 ? 13 HIS B O 16 ATOM 22187 C CB . HIS B 1 13 ? 13.379 -2.454 -0.498 1.00 0.00 ? 13 HIS B CB 16 ATOM 22188 C CG . HIS B 1 13 ? 14.080 -3.504 0.296 1.00 0.00 ? 13 HIS B CG 16 ATOM 22189 N ND1 . HIS B 1 13 ? 13.607 -4.791 0.441 1.00 0.00 ? 13 HIS B ND1 16 ATOM 22190 C CD2 . HIS B 1 13 ? 15.226 -3.443 1.004 1.00 0.00 ? 13 HIS B CD2 16 ATOM 22191 C CE1 . HIS B 1 13 ? 14.437 -5.478 1.207 1.00 0.00 ? 13 HIS B CE1 16 ATOM 22192 N NE2 . HIS B 1 13 ? 15.429 -4.682 1.560 1.00 0.00 ? 13 HIS B NE2 16 ATOM 22193 H H . HIS B 1 13 ? 14.454 -3.605 -2.526 1.00 0.00 ? 13 HIS B H 16 ATOM 22194 H HA . HIS B 1 13 ? 11.872 -3.707 -1.361 1.00 0.00 ? 13 HIS B HA 16 ATOM 22195 H HB2 . HIS B 1 13 ? 14.121 -1.750 -0.841 1.00 0.00 ? 13 HIS B HB2 16 ATOM 22196 H HB3 . HIS B 1 13 ? 12.690 -1.947 0.162 1.00 0.00 ? 13 HIS B HB3 16 ATOM 22197 H HD1 . HIS B 1 13 ? 12.785 -5.149 0.042 1.00 0.00 ? 13 HIS B HD1 16 ATOM 22198 H HD2 . HIS B 1 13 ? 15.861 -2.576 1.112 1.00 0.00 ? 13 HIS B HD2 16 ATOM 22199 H HE1 . HIS B 1 13 ? 14.324 -6.514 1.492 1.00 0.00 ? 13 HIS B HE1 16 ATOM 22200 H HE2 . HIS B 1 13 ? 16.185 -4.936 2.129 1.00 0.00 ? 13 HIS B HE2 16 ATOM 22201 N N . ALA B 1 14 ? 12.491 -1.277 -3.417 1.00 0.00 ? 14 ALA B N 16 ATOM 22202 C CA . ALA B 1 14 ? 11.895 -0.170 -4.151 1.00 0.00 ? 14 ALA B CA 16 ATOM 22203 C C . ALA B 1 14 ? 10.649 -0.637 -4.888 1.00 0.00 ? 14 ALA B C 16 ATOM 22204 O O . ALA B 1 14 ? 9.593 -0.013 -4.807 1.00 0.00 ? 14 ALA B O 16 ATOM 22205 C CB . ALA B 1 14 ? 12.900 0.426 -5.125 1.00 0.00 ? 14 ALA B CB 16 ATOM 22206 H H . ALA B 1 14 ? 13.365 -1.622 -3.699 1.00 0.00 ? 14 ALA B H 16 ATOM 22207 H HA . ALA B 1 14 ? 11.615 0.593 -3.439 1.00 0.00 ? 14 ALA B HA 16 ATOM 22208 H HB1 . ALA B 1 14 ? 13.447 -0.369 -5.610 1.00 0.00 ? 14 ALA B HB1 16 ATOM 22209 H HB2 . ALA B 1 14 ? 13.589 1.062 -4.588 1.00 0.00 ? 14 ALA B HB2 16 ATOM 22210 H HB3 . ALA B 1 14 ? 12.378 1.010 -5.869 1.00 0.00 ? 14 ALA B HB3 16 ATOM 22211 N N . LYS B 1 15 ? 10.780 -1.755 -5.594 1.00 0.00 ? 15 LYS B N 16 ATOM 22212 C CA . LYS B 1 15 ? 9.662 -2.323 -6.330 1.00 0.00 ? 15 LYS B CA 16 ATOM 22213 C C . LYS B 1 15 ? 8.606 -2.866 -5.368 1.00 0.00 ? 15 LYS B C 16 ATOM 22214 O O . LYS B 1 15 ? 7.458 -3.081 -5.753 1.00 0.00 ? 15 LYS B O 16 ATOM 22215 C CB . LYS B 1 15 ? 10.147 -3.438 -7.258 1.00 0.00 ? 15 LYS B CB 16 ATOM 22216 C CG . LYS B 1 15 ? 9.705 -3.263 -8.702 1.00 0.00 ? 15 LYS B CG 16 ATOM 22217 C CD . LYS B 1 15 ? 10.875 -2.900 -9.602 1.00 0.00 ? 15 LYS B CD 16 ATOM 22218 C CE . LYS B 1 15 ? 10.457 -2.836 -11.061 1.00 0.00 ? 15 LYS B CE 16 ATOM 22219 N NZ . LYS B 1 15 ? 9.976 -1.479 -11.442 1.00 0.00 ? 15 LYS B NZ 16 ATOM 22220 H H . LYS B 1 15 ? 11.647 -2.215 -5.609 1.00 0.00 ? 15 LYS B H 16 ATOM 22221 H HA . LYS B 1 15 ? 9.221 -1.537 -6.924 1.00 0.00 ? 15 LYS B HA 16 ATOM 22222 H HB2 . LYS B 1 15 ? 11.225 -3.467 -7.235 1.00 0.00 ? 15 LYS B HB2 16 ATOM 22223 H HB3 . LYS B 1 15 ? 9.762 -4.382 -6.899 1.00 0.00 ? 15 LYS B HB3 16 ATOM 22224 H HG2 . LYS B 1 15 ? 9.270 -4.188 -9.050 1.00 0.00 ? 15 LYS B HG2 16 ATOM 22225 H HG3 . LYS B 1 15 ? 8.967 -2.475 -8.750 1.00 0.00 ? 15 LYS B HG3 16 ATOM 22226 H HD2 . LYS B 1 15 ? 11.259 -1.935 -9.306 1.00 0.00 ? 15 LYS B HD2 16 ATOM 22227 H HD3 . LYS B 1 15 ? 11.647 -3.647 -9.490 1.00 0.00 ? 15 LYS B HD3 16 ATOM 22228 H HE2 . LYS B 1 15 ? 11.305 -3.093 -11.678 1.00 0.00 ? 15 LYS B HE2 16 ATOM 22229 H HE3 . LYS B 1 15 ? 9.663 -3.549 -11.227 1.00 0.00 ? 15 LYS B HE3 16 ATOM 22230 H HZ1 . LYS B 1 15 ? 10.431 -0.758 -10.847 1.00 0.00 ? 15 LYS B HZ1 16 ATOM 22231 H HZ2 . LYS B 1 15 ? 10.207 -1.285 -12.438 1.00 0.00 ? 15 LYS B HZ2 16 ATOM 22232 H HZ3 . LYS B 1 15 ? 8.946 -1.416 -11.318 1.00 0.00 ? 15 LYS B HZ3 16 ATOM 22233 N N . GLU B 1 16 ? 9.003 -3.091 -4.114 1.00 0.00 ? 16 GLU B N 16 ATOM 22234 C CA . GLU B 1 16 ? 8.088 -3.612 -3.106 1.00 0.00 ? 16 GLU B CA 16 ATOM 22235 C C . GLU B 1 16 ? 7.204 -2.509 -2.529 1.00 0.00 ? 16 GLU B C 16 ATOM 22236 O O . GLU B 1 16 ? 6.022 -2.729 -2.272 1.00 0.00 ? 16 GLU B O 16 ATOM 22237 C CB . GLU B 1 16 ? 8.871 -4.294 -1.981 1.00 0.00 ? 16 GLU B CB 16 ATOM 22238 C CG . GLU B 1 16 ? 9.554 -5.582 -2.410 1.00 0.00 ? 16 GLU B CG 16 ATOM 22239 C CD . GLU B 1 16 ? 8.656 -6.795 -2.260 1.00 0.00 ? 16 GLU B CD 16 ATOM 22240 O OE1 . GLU B 1 16 ? 7.434 -6.611 -2.084 1.00 0.00 ? 16 GLU B OE1 16 ATOM 22241 O OE2 . GLU B 1 16 ? 9.176 -7.929 -2.321 1.00 0.00 ? 16 GLU B OE2 16 ATOM 22242 H H . GLU B 1 16 ? 9.933 -2.908 -3.863 1.00 0.00 ? 16 GLU B H 16 ATOM 22243 H HA . GLU B 1 16 ? 7.456 -4.344 -3.584 1.00 0.00 ? 16 GLU B HA 16 ATOM 22244 H HB2 . GLU B 1 16 ? 9.628 -3.613 -1.621 1.00 0.00 ? 16 GLU B HB2 16 ATOM 22245 H HB3 . GLU B 1 16 ? 8.192 -4.523 -1.174 1.00 0.00 ? 16 GLU B HB3 16 ATOM 22246 H HG2 . GLU B 1 16 ? 9.844 -5.494 -3.447 1.00 0.00 ? 16 GLU B HG2 16 ATOM 22247 H HG3 . GLU B 1 16 ? 10.435 -5.727 -1.802 1.00 0.00 ? 16 GLU B HG3 16 ATOM 22248 N N . ILE B 1 17 ? 7.774 -1.323 -2.326 1.00 0.00 ? 17 ILE B N 16 ATOM 22249 C CA . ILE B 1 17 ? 7.013 -0.203 -1.781 1.00 0.00 ? 17 ILE B CA 16 ATOM 22250 C C . ILE B 1 17 ? 6.142 0.432 -2.859 1.00 0.00 ? 17 ILE B C 16 ATOM 22251 O O . ILE B 1 17 ? 5.072 0.969 -2.569 1.00 0.00 ? 17 ILE B O 16 ATOM 22252 C CB . ILE B 1 17 ? 7.941 0.867 -1.169 1.00 0.00 ? 17 ILE B CB 16 ATOM 22253 C CG1 . ILE B 1 17 ? 7.120 2.030 -0.594 1.00 0.00 ? 17 ILE B CG1 16 ATOM 22254 C CG2 . ILE B 1 17 ? 8.945 1.360 -2.202 1.00 0.00 ? 17 ILE B CG2 16 ATOM 22255 C CD1 . ILE B 1 17 ? 6.639 3.026 -1.632 1.00 0.00 ? 17 ILE B CD1 16 ATOM 22256 H H . ILE B 1 17 ? 8.722 -1.196 -2.549 1.00 0.00 ? 17 ILE B H 16 ATOM 22257 H HA . ILE B 1 17 ? 6.370 -0.584 -0.999 1.00 0.00 ? 17 ILE B HA 16 ATOM 22258 H HB . ILE B 1 17 ? 8.495 0.403 -0.366 1.00 0.00 ? 17 ILE B HB 16 ATOM 22259 H HG12 . ILE B 1 17 ? 6.249 1.632 -0.096 1.00 0.00 ? 17 ILE B HG12 16 ATOM 22260 H HG13 . ILE B 1 17 ? 7.725 2.565 0.124 1.00 0.00 ? 17 ILE B HG13 16 ATOM 22261 H HG21 . ILE B 1 17 ? 8.609 1.085 -3.190 1.00 0.00 ? 17 ILE B HG21 16 ATOM 22262 H HG22 . ILE B 1 17 ? 9.030 2.434 -2.136 1.00 0.00 ? 17 ILE B HG22 16 ATOM 22263 H HG23 . ILE B 1 17 ? 9.908 0.910 -2.010 1.00 0.00 ? 17 ILE B HG23 16 ATOM 22264 H HD11 . ILE B 1 17 ? 6.963 2.711 -2.612 1.00 0.00 ? 17 ILE B HD11 16 ATOM 22265 H HD12 . ILE B 1 17 ? 5.561 3.078 -1.608 1.00 0.00 ? 17 ILE B HD12 16 ATOM 22266 H HD13 . ILE B 1 17 ? 7.052 4.001 -1.413 1.00 0.00 ? 17 ILE B HD13 16 ATOM 22267 N N . GLU B 1 18 ? 6.600 0.355 -4.102 1.00 0.00 ? 18 GLU B N 16 ATOM 22268 C CA . GLU B 1 18 ? 5.854 0.912 -5.223 1.00 0.00 ? 18 GLU B CA 16 ATOM 22269 C C . GLU B 1 18 ? 4.756 -0.049 -5.664 1.00 0.00 ? 18 GLU B C 16 ATOM 22270 O O . GLU B 1 18 ? 3.670 0.373 -6.064 1.00 0.00 ? 18 GLU B O 16 ATOM 22271 C CB . GLU B 1 18 ? 6.793 1.209 -6.394 1.00 0.00 ? 18 GLU B CB 16 ATOM 22272 C CG . GLU B 1 18 ? 6.720 2.645 -6.884 1.00 0.00 ? 18 GLU B CG 16 ATOM 22273 C CD . GLU B 1 18 ? 7.830 2.987 -7.859 1.00 0.00 ? 18 GLU B CD 16 ATOM 22274 O OE1 . GLU B 1 18 ? 8.157 2.130 -8.708 1.00 0.00 ? 18 GLU B OE1 16 ATOM 22275 O OE2 . GLU B 1 18 ? 8.370 4.109 -7.775 1.00 0.00 ? 18 GLU B OE2 16 ATOM 22276 H H . GLU B 1 18 ? 7.454 -0.094 -4.272 1.00 0.00 ? 18 GLU B H 16 ATOM 22277 H HA . GLU B 1 18 ? 5.399 1.833 -4.893 1.00 0.00 ? 18 GLU B HA 16 ATOM 22278 H HB2 . GLU B 1 18 ? 7.809 1.008 -6.086 1.00 0.00 ? 18 GLU B HB2 16 ATOM 22279 H HB3 . GLU B 1 18 ? 6.541 0.557 -7.217 1.00 0.00 ? 18 GLU B HB3 16 ATOM 22280 H HG2 . GLU B 1 18 ? 5.770 2.797 -7.374 1.00 0.00 ? 18 GLU B HG2 16 ATOM 22281 H HG3 . GLU B 1 18 ? 6.793 3.307 -6.032 1.00 0.00 ? 18 GLU B HG3 16 ATOM 22282 N N . ARG B 1 19 ? 5.043 -1.344 -5.580 1.00 0.00 ? 19 ARG B N 16 ATOM 22283 C CA . ARG B 1 19 ? 4.077 -2.364 -5.963 1.00 0.00 ? 19 ARG B CA 16 ATOM 22284 C C . ARG B 1 19 ? 2.988 -2.490 -4.906 1.00 0.00 ? 19 ARG B C 16 ATOM 22285 O O . ARG B 1 19 ? 1.825 -2.740 -5.222 1.00 0.00 ? 19 ARG B O 16 ATOM 22286 C CB . ARG B 1 19 ? 4.770 -3.713 -6.163 1.00 0.00 ? 19 ARG B CB 16 ATOM 22287 C CG . ARG B 1 19 ? 5.541 -3.813 -7.470 1.00 0.00 ? 19 ARG B CG 16 ATOM 22288 C CD . ARG B 1 19 ? 6.441 -5.037 -7.492 1.00 0.00 ? 19 ARG B CD 16 ATOM 22289 N NE . ARG B 1 19 ? 5.686 -6.270 -7.695 1.00 0.00 ? 19 ARG B NE 16 ATOM 22290 C CZ . ARG B 1 19 ? 6.225 -7.483 -7.633 1.00 0.00 ? 19 ARG B CZ 16 ATOM 22291 N NH1 . ARG B 1 19 ? 7.518 -7.623 -7.376 1.00 0.00 ? 19 ARG B NH1 16 ATOM 22292 N NH2 . ARG B 1 19 ? 5.472 -8.556 -7.828 1.00 0.00 ? 19 ARG B NH2 16 ATOM 22293 H H . ARG B 1 19 ? 5.923 -1.621 -5.245 1.00 0.00 ? 19 ARG B H 16 ATOM 22294 H HA . ARG B 1 19 ? 3.624 -2.059 -6.894 1.00 0.00 ? 19 ARG B HA 16 ATOM 22295 H HB2 . ARG B 1 19 ? 5.461 -3.874 -5.349 1.00 0.00 ? 19 ARG B HB2 16 ATOM 22296 H HB3 . ARG B 1 19 ? 4.024 -4.493 -6.149 1.00 0.00 ? 19 ARG B HB3 16 ATOM 22297 H HG2 . ARG B 1 19 ? 4.837 -3.882 -8.286 1.00 0.00 ? 19 ARG B HG2 16 ATOM 22298 H HG3 . ARG B 1 19 ? 6.148 -2.927 -7.587 1.00 0.00 ? 19 ARG B HG3 16 ATOM 22299 H HD2 . ARG B 1 19 ? 7.155 -4.928 -8.296 1.00 0.00 ? 19 ARG B HD2 16 ATOM 22300 H HD3 . ARG B 1 19 ? 6.968 -5.098 -6.550 1.00 0.00 ? 19 ARG B HD3 16 ATOM 22301 H HE . ARG B 1 19 ? 4.728 -6.188 -7.886 1.00 0.00 ? 19 ARG B HE 16 ATOM 22302 H HH11 . ARG B 1 19 ? 8.089 -6.816 -7.228 1.00 0.00 ? 19 ARG B HH11 16 ATOM 22303 H HH12 . ARG B 1 19 ? 7.922 -8.537 -7.330 1.00 0.00 ? 19 ARG B HH12 16 ATOM 22304 H HH21 . ARG B 1 19 ? 4.496 -8.454 -8.022 1.00 0.00 ? 19 ARG B HH21 16 ATOM 22305 H HH22 . ARG B 1 19 ? 5.880 -9.468 -7.782 1.00 0.00 ? 19 ARG B HH22 16 ATOM 22306 N N . LEU B 1 20 ? 3.372 -2.302 -3.647 1.00 0.00 ? 20 LEU B N 16 ATOM 22307 C CA . LEU B 1 20 ? 2.424 -2.383 -2.549 1.00 0.00 ? 20 LEU B CA 16 ATOM 22308 C C . LEU B 1 20 ? 1.489 -1.183 -2.574 1.00 0.00 ? 20 LEU B C 16 ATOM 22309 O O . LEU B 1 20 ? 0.288 -1.313 -2.340 1.00 0.00 ? 20 LEU B O 16 ATOM 22310 C CB . LEU B 1 20 ? 3.161 -2.449 -1.210 1.00 0.00 ? 20 LEU B CB 16 ATOM 22311 C CG . LEU B 1 20 ? 3.908 -3.758 -0.946 1.00 0.00 ? 20 LEU B CG 16 ATOM 22312 C CD1 . LEU B 1 20 ? 5.017 -3.544 0.073 1.00 0.00 ? 20 LEU B CD1 16 ATOM 22313 C CD2 . LEU B 1 20 ? 2.945 -4.834 -0.470 1.00 0.00 ? 20 LEU B CD2 16 ATOM 22314 H H . LEU B 1 20 ? 4.310 -2.095 -3.453 1.00 0.00 ? 20 LEU B H 16 ATOM 22315 H HA . LEU B 1 20 ? 1.840 -3.284 -2.677 1.00 0.00 ? 20 LEU B HA 16 ATOM 22316 H HB2 . LEU B 1 20 ? 3.872 -1.638 -1.174 1.00 0.00 ? 20 LEU B HB2 16 ATOM 22317 H HB3 . LEU B 1 20 ? 2.439 -2.309 -0.419 1.00 0.00 ? 20 LEU B HB3 16 ATOM 22318 H HG . LEU B 1 20 ? 4.362 -4.098 -1.867 1.00 0.00 ? 20 LEU B HG 16 ATOM 22319 H HD11 . LEU B 1 20 ? 5.230 -2.488 0.155 1.00 0.00 ? 20 LEU B HD11 16 ATOM 22320 H HD12 . LEU B 1 20 ? 4.702 -3.923 1.033 1.00 0.00 ? 20 LEU B HD12 16 ATOM 22321 H HD13 . LEU B 1 20 ? 5.906 -4.067 -0.248 1.00 0.00 ? 20 LEU B HD13 16 ATOM 22322 H HD21 . LEU B 1 20 ? 2.011 -4.377 -0.175 1.00 0.00 ? 20 LEU B HD21 16 ATOM 22323 H HD22 . LEU B 1 20 ? 2.764 -5.536 -1.271 1.00 0.00 ? 20 LEU B HD22 16 ATOM 22324 H HD23 . LEU B 1 20 ? 3.374 -5.353 0.375 1.00 0.00 ? 20 LEU B HD23 16 ATOM 22325 N N . GLN B 1 21 ? 2.050 -0.013 -2.867 1.00 0.00 ? 21 GLN B N 16 ATOM 22326 C CA . GLN B 1 21 ? 1.268 1.215 -2.931 1.00 0.00 ? 21 GLN B CA 16 ATOM 22327 C C . GLN B 1 21 ? 0.208 1.123 -4.023 1.00 0.00 ? 21 GLN B C 16 ATOM 22328 O O . GLN B 1 21 ? -0.927 1.562 -3.838 1.00 0.00 ? 21 GLN B O 16 ATOM 22329 C CB . GLN B 1 21 ? 2.182 2.414 -3.191 1.00 0.00 ? 21 GLN B CB 16 ATOM 22330 C CG . GLN B 1 21 ? 1.558 3.748 -2.810 1.00 0.00 ? 21 GLN B CG 16 ATOM 22331 C CD . GLN B 1 21 ? 1.668 4.778 -3.917 1.00 0.00 ? 21 GLN B CD 16 ATOM 22332 O OE1 . GLN B 1 21 ? 0.660 5.253 -4.441 1.00 0.00 ? 21 GLN B OE1 16 ATOM 22333 N NE2 . GLN B 1 21 ? 2.896 5.131 -4.278 1.00 0.00 ? 21 GLN B NE2 16 ATOM 22334 H H . GLN B 1 21 ? 3.014 0.025 -3.049 1.00 0.00 ? 21 GLN B H 16 ATOM 22335 H HA . GLN B 1 21 ? 0.778 1.346 -1.978 1.00 0.00 ? 21 GLN B HA 16 ATOM 22336 H HB2 . GLN B 1 21 ? 3.091 2.291 -2.620 1.00 0.00 ? 21 GLN B HB2 16 ATOM 22337 H HB3 . GLN B 1 21 ? 2.429 2.444 -4.241 1.00 0.00 ? 21 GLN B HB3 16 ATOM 22338 H HG2 . GLN B 1 21 ? 0.514 3.591 -2.588 1.00 0.00 ? 21 GLN B HG2 16 ATOM 22339 H HG3 . GLN B 1 21 ? 2.061 4.127 -1.933 1.00 0.00 ? 21 GLN B HG3 16 ATOM 22340 H HE21 . GLN B 1 21 ? 3.653 4.711 -3.817 1.00 0.00 ? 21 GLN B HE21 16 ATOM 22341 H HE22 . GLN B 1 21 ? 2.997 5.795 -4.990 1.00 0.00 ? 21 GLN B HE22 16 ATOM 22342 N N . LYS B 1 22 ? 0.583 0.546 -5.160 1.00 0.00 ? 22 LYS B N 16 ATOM 22343 C CA . LYS B 1 22 ? -0.342 0.396 -6.278 1.00 0.00 ? 22 LYS B CA 16 ATOM 22344 C C . LYS B 1 22 ? -1.512 -0.506 -5.893 1.00 0.00 ? 22 LYS B C 16 ATOM 22345 O O . LYS B 1 22 ? -2.664 -0.218 -6.219 1.00 0.00 ? 22 LYS B O 16 ATOM 22346 C CB . LYS B 1 22 ? 0.384 -0.181 -7.495 1.00 0.00 ? 22 LYS B CB 16 ATOM 22347 C CG . LYS B 1 22 ? -0.295 0.137 -8.816 1.00 0.00 ? 22 LYS B CG 16 ATOM 22348 C CD . LYS B 1 22 ? -1.249 -0.971 -9.233 1.00 0.00 ? 22 LYS B CD 16 ATOM 22349 C CE . LYS B 1 22 ? -2.696 -0.592 -8.960 1.00 0.00 ? 22 LYS B CE 16 ATOM 22350 N NZ . LYS B 1 22 ? -3.464 -0.391 -10.220 1.00 0.00 ? 22 LYS B NZ 16 ATOM 22351 H H . LYS B 1 22 ? 1.502 0.212 -5.250 1.00 0.00 ? 22 LYS B H 16 ATOM 22352 H HA . LYS B 1 22 ? -0.723 1.374 -6.527 1.00 0.00 ? 22 LYS B HA 16 ATOM 22353 H HB2 . LYS B 1 22 ? 1.387 0.219 -7.524 1.00 0.00 ? 22 LYS B HB2 16 ATOM 22354 H HB3 . LYS B 1 22 ? 0.438 -1.255 -7.391 1.00 0.00 ? 22 LYS B HB3 16 ATOM 22355 H HG2 . LYS B 1 22 ? -0.852 1.056 -8.711 1.00 0.00 ? 22 LYS B HG2 16 ATOM 22356 H HG3 . LYS B 1 22 ? 0.459 0.256 -9.578 1.00 0.00 ? 22 LYS B HG3 16 ATOM 22357 H HD2 . LYS B 1 22 ? -1.129 -1.158 -10.289 1.00 0.00 ? 22 LYS B HD2 16 ATOM 22358 H HD3 . LYS B 1 22 ? -1.010 -1.866 -8.677 1.00 0.00 ? 22 LYS B HD3 16 ATOM 22359 H HE2 . LYS B 1 22 ? -3.161 -1.382 -8.389 1.00 0.00 ? 22 LYS B HE2 16 ATOM 22360 H HE3 . LYS B 1 22 ? -2.714 0.323 -8.388 1.00 0.00 ? 22 LYS B HE3 16 ATOM 22361 H HZ1 . LYS B 1 22 ? -3.009 0.340 -10.804 1.00 0.00 ? 22 LYS B HZ1 16 ATOM 22362 H HZ2 . LYS B 1 22 ? -3.501 -1.279 -10.762 1.00 0.00 ? 22 LYS B HZ2 16 ATOM 22363 H HZ3 . LYS B 1 22 ? -4.435 -0.090 -10.003 1.00 0.00 ? 22 LYS B HZ3 16 ATOM 22364 N N . GLU B 1 23 ? -1.205 -1.598 -5.200 1.00 0.00 ? 23 GLU B N 16 ATOM 22365 C CA . GLU B 1 23 ? -2.229 -2.544 -4.770 1.00 0.00 ? 23 GLU B CA 16 ATOM 22366 C C . GLU B 1 23 ? -3.233 -1.879 -3.832 1.00 0.00 ? 23 GLU B C 16 ATOM 22367 O O . GLU B 1 23 ? -4.438 -2.130 -3.916 1.00 0.00 ? 23 GLU B O 16 ATOM 22368 C CB . GLU B 1 23 ? -1.585 -3.744 -4.077 1.00 0.00 ? 23 GLU B CB 16 ATOM 22369 C CG . GLU B 1 23 ? -1.948 -5.079 -4.707 1.00 0.00 ? 23 GLU B CG 16 ATOM 22370 C CD . GLU B 1 23 ? -3.298 -5.592 -4.245 1.00 0.00 ? 23 GLU B CD 16 ATOM 22371 O OE1 . GLU B 1 23 ? -4.241 -4.780 -4.148 1.00 0.00 ? 23 GLU B OE1 16 ATOM 22372 O OE2 . GLU B 1 23 ? -3.412 -6.808 -3.979 1.00 0.00 ? 23 GLU B OE2 16 ATOM 22373 H H . GLU B 1 23 ? -0.267 -1.772 -4.971 1.00 0.00 ? 23 GLU B H 16 ATOM 22374 H HA . GLU B 1 23 ? -2.752 -2.886 -5.651 1.00 0.00 ? 23 GLU B HA 16 ATOM 22375 H HB2 . GLU B 1 23 ? -0.510 -3.633 -4.115 1.00 0.00 ? 23 GLU B HB2 16 ATOM 22376 H HB3 . GLU B 1 23 ? -1.899 -3.761 -3.044 1.00 0.00 ? 23 GLU B HB3 16 ATOM 22377 H HG2 . GLU B 1 23 ? -1.974 -4.960 -5.780 1.00 0.00 ? 23 GLU B HG2 16 ATOM 22378 H HG3 . GLU B 1 23 ? -1.193 -5.804 -4.443 1.00 0.00 ? 23 GLU B HG3 16 ATOM 22379 N N . ILE B 1 24 ? -2.734 -1.028 -2.940 1.00 0.00 ? 24 ILE B N 16 ATOM 22380 C CA . ILE B 1 24 ? -3.602 -0.334 -1.993 1.00 0.00 ? 24 ILE B CA 16 ATOM 22381 C C . ILE B 1 24 ? -4.566 0.589 -2.741 1.00 0.00 ? 24 ILE B C 16 ATOM 22382 O O . ILE B 1 24 ? -5.725 0.742 -2.356 1.00 0.00 ? 24 ILE B O 16 ATOM 22383 C CB . ILE B 1 24 ? -2.794 0.460 -0.911 1.00 0.00 ? 24 ILE B CB 16 ATOM 22384 C CG1 . ILE B 1 24 ? -2.571 1.928 -1.303 1.00 0.00 ? 24 ILE B CG1 16 ATOM 22385 C CG2 . ILE B 1 24 ? -1.455 -0.208 -0.636 1.00 0.00 ? 24 ILE B CG2 16 ATOM 22386 C CD1 . ILE B 1 24 ? -3.695 2.839 -0.857 1.00 0.00 ? 24 ILE B CD1 16 ATOM 22387 H H . ILE B 1 24 ? -1.770 -0.863 -2.922 1.00 0.00 ? 24 ILE B H 16 ATOM 22388 H HA . ILE B 1 24 ? -4.187 -1.089 -1.481 1.00 0.00 ? 24 ILE B HA 16 ATOM 22389 H HB . ILE B 1 24 ? -3.363 0.431 0.006 1.00 0.00 ? 24 ILE B HB 16 ATOM 22390 H HG12 . ILE B 1 24 ? -1.657 2.283 -0.849 1.00 0.00 ? 24 ILE B HG12 16 ATOM 22391 H HG13 . ILE B 1 24 ? -2.487 2.002 -2.376 1.00 0.00 ? 24 ILE B HG13 16 ATOM 22392 H HG21 . ILE B 1 24 ? -1.506 -1.249 -0.915 1.00 0.00 ? 24 ILE B HG21 16 ATOM 22393 H HG22 . ILE B 1 24 ? -0.685 0.282 -1.214 1.00 0.00 ? 24 ILE B HG22 16 ATOM 22394 H HG23 . ILE B 1 24 ? -1.222 -0.127 0.414 1.00 0.00 ? 24 ILE B HG23 16 ATOM 22395 H HD11 . ILE B 1 24 ? -4.462 2.251 -0.371 1.00 0.00 ? 24 ILE B HD11 16 ATOM 22396 H HD12 . ILE B 1 24 ? -3.310 3.573 -0.164 1.00 0.00 ? 24 ILE B HD12 16 ATOM 22397 H HD13 . ILE B 1 24 ? -4.115 3.339 -1.717 1.00 0.00 ? 24 ILE B HD13 16 ATOM 22398 N N . GLU B 1 25 ? -4.070 1.194 -3.817 1.00 0.00 ? 25 GLU B N 16 ATOM 22399 C CA . GLU B 1 25 ? -4.874 2.096 -4.630 1.00 0.00 ? 25 GLU B CA 16 ATOM 22400 C C . GLU B 1 25 ? -6.073 1.362 -5.215 1.00 0.00 ? 25 GLU B C 16 ATOM 22401 O O . GLU B 1 25 ? -7.192 1.872 -5.201 1.00 0.00 ? 25 GLU B O 16 ATOM 22402 C CB . GLU B 1 25 ? -4.029 2.697 -5.755 1.00 0.00 ? 25 GLU B CB 16 ATOM 22403 C CG . GLU B 1 25 ? -4.701 3.857 -6.468 1.00 0.00 ? 25 GLU B CG 16 ATOM 22404 C CD . GLU B 1 25 ? -3.888 4.373 -7.639 1.00 0.00 ? 25 GLU B CD 16 ATOM 22405 O OE1 . GLU B 1 25 ? -3.093 3.590 -8.199 1.00 0.00 ? 25 GLU B OE1 16 ATOM 22406 O OE2 . GLU B 1 25 ? -4.047 5.560 -7.996 1.00 0.00 ? 25 GLU B OE2 16 ATOM 22407 H H . GLU B 1 25 ? -3.138 1.026 -4.071 1.00 0.00 ? 25 GLU B H 16 ATOM 22408 H HA . GLU B 1 25 ? -5.229 2.892 -3.992 1.00 0.00 ? 25 GLU B HA 16 ATOM 22409 H HB2 . GLU B 1 25 ? -3.096 3.049 -5.339 1.00 0.00 ? 25 GLU B HB2 16 ATOM 22410 H HB3 . GLU B 1 25 ? -3.820 1.927 -6.483 1.00 0.00 ? 25 GLU B HB3 16 ATOM 22411 H HG2 . GLU B 1 25 ? -5.664 3.530 -6.834 1.00 0.00 ? 25 GLU B HG2 16 ATOM 22412 H HG3 . GLU B 1 25 ? -4.842 4.664 -5.763 1.00 0.00 ? 25 GLU B HG3 16 ATOM 22413 N N . ARG B 1 26 ? -5.832 0.156 -5.721 1.00 0.00 ? 26 ARG B N 16 ATOM 22414 C CA . ARG B 1 26 ? -6.899 -0.651 -6.300 1.00 0.00 ? 26 ARG B CA 16 ATOM 22415 C C . ARG B 1 26 ? -8.012 -0.858 -5.282 1.00 0.00 ? 26 ARG B C 16 ATOM 22416 O O . ARG B 1 26 ? -9.187 -0.614 -5.568 1.00 0.00 ? 26 ARG B O 16 ATOM 22417 C CB . ARG B 1 26 ? -6.353 -2.003 -6.763 1.00 0.00 ? 26 ARG B CB 16 ATOM 22418 C CG . ARG B 1 26 ? -7.417 -2.922 -7.340 1.00 0.00 ? 26 ARG B CG 16 ATOM 22419 C CD . ARG B 1 26 ? -6.799 -4.045 -8.160 1.00 0.00 ? 26 ARG B CD 16 ATOM 22420 N NE . ARG B 1 26 ? -7.660 -5.223 -8.211 1.00 0.00 ? 26 ARG B NE 16 ATOM 22421 C CZ . ARG B 1 26 ? -7.731 -6.125 -7.238 1.00 0.00 ? 26 ARG B CZ 16 ATOM 22422 N NH1 . ARG B 1 26 ? -6.994 -5.983 -6.144 1.00 0.00 ? 26 ARG B NH1 16 ATOM 22423 N NH2 . ARG B 1 26 ? -8.538 -7.170 -7.359 1.00 0.00 ? 26 ARG B NH2 16 ATOM 22424 H H . ARG B 1 26 ? -4.920 -0.201 -5.698 1.00 0.00 ? 26 ARG B H 16 ATOM 22425 H HA . ARG B 1 26 ? -7.296 -0.118 -7.151 1.00 0.00 ? 26 ARG B HA 16 ATOM 22426 H HB2 . ARG B 1 26 ? -5.604 -1.834 -7.523 1.00 0.00 ? 26 ARG B HB2 16 ATOM 22427 H HB3 . ARG B 1 26 ? -5.896 -2.501 -5.922 1.00 0.00 ? 26 ARG B HB3 16 ATOM 22428 H HG2 . ARG B 1 26 ? -7.986 -3.353 -6.530 1.00 0.00 ? 26 ARG B HG2 16 ATOM 22429 H HG3 . ARG B 1 26 ? -8.073 -2.345 -7.975 1.00 0.00 ? 26 ARG B HG3 16 ATOM 22430 H HD2 . ARG B 1 26 ? -6.633 -3.689 -9.165 1.00 0.00 ? 26 ARG B HD2 16 ATOM 22431 H HD3 . ARG B 1 26 ? -5.855 -4.319 -7.714 1.00 0.00 ? 26 ARG B HD3 16 ATOM 22432 H HE . ARG B 1 26 ? -8.213 -5.346 -9.010 1.00 0.00 ? 26 ARG B HE 16 ATOM 22433 H HH11 . ARG B 1 26 ? -6.385 -5.196 -6.051 1.00 0.00 ? 26 ARG B HH11 16 ATOM 22434 H HH12 . ARG B 1 26 ? -7.049 -6.664 -5.414 1.00 0.00 ? 26 ARG B HH12 16 ATOM 22435 H HH21 . ARG B 1 26 ? -9.095 -7.280 -8.182 1.00 0.00 ? 26 ARG B HH21 16 ATOM 22436 H HH22 . ARG B 1 26 ? -8.590 -7.849 -6.625 1.00 0.00 ? 26 ARG B HH22 16 ATOM 22437 N N . HIS B 1 27 ? -7.634 -1.297 -4.085 1.00 0.00 ? 27 HIS B N 16 ATOM 22438 C CA . HIS B 1 27 ? -8.599 -1.524 -3.018 1.00 0.00 ? 27 HIS B CA 16 ATOM 22439 C C . HIS B 1 27 ? -9.265 -0.211 -2.613 1.00 0.00 ? 27 HIS B C 16 ATOM 22440 O O . HIS B 1 27 ? -10.376 -0.205 -2.084 1.00 0.00 ? 27 HIS B O 16 ATOM 22441 C CB . HIS B 1 27 ? -7.913 -2.158 -1.806 1.00 0.00 ? 27 HIS B CB 16 ATOM 22442 C CG . HIS B 1 27 ? -8.413 -3.533 -1.488 1.00 0.00 ? 27 HIS B CG 16 ATOM 22443 N ND1 . HIS B 1 27 ? -9.621 -3.768 -0.863 1.00 0.00 ? 27 HIS B ND1 16 ATOM 22444 C CD2 . HIS B 1 27 ? -7.864 -4.750 -1.711 1.00 0.00 ? 27 HIS B CD2 16 ATOM 22445 C CE1 . HIS B 1 27 ? -9.792 -5.070 -0.715 1.00 0.00 ? 27 HIS B CE1 16 ATOM 22446 N NE2 . HIS B 1 27 ? -8.740 -5.687 -1.222 1.00 0.00 ? 27 HIS B NE2 16 ATOM 22447 H H . HIS B 1 27 ? -6.681 -1.463 -3.915 1.00 0.00 ? 27 HIS B H 16 ATOM 22448 H HA . HIS B 1 27 ? -9.354 -2.199 -3.390 1.00 0.00 ? 27 HIS B HA 16 ATOM 22449 H HB2 . HIS B 1 27 ? -6.853 -2.227 -1.997 1.00 0.00 ? 27 HIS B HB2 16 ATOM 22450 H HB3 . HIS B 1 27 ? -8.078 -1.533 -0.941 1.00 0.00 ? 27 HIS B HB3 16 ATOM 22451 H HD1 . HIS B 1 27 ? -10.258 -3.082 -0.571 1.00 0.00 ? 27 HIS B HD1 16 ATOM 22452 H HD2 . HIS B 1 27 ? -6.914 -4.947 -2.186 1.00 0.00 ? 27 HIS B HD2 16 ATOM 22453 H HE1 . HIS B 1 27 ? -10.646 -5.548 -0.259 1.00 0.00 ? 27 HIS B HE1 16 ATOM 22454 H HE2 . HIS B 1 27 ? -8.609 -6.658 -1.244 1.00 0.00 ? 27 HIS B HE2 16 ATOM 22455 N N . LYS B 1 28 ? -8.577 0.899 -2.868 1.00 0.00 ? 28 LYS B N 16 ATOM 22456 C CA . LYS B 1 28 ? -9.100 2.218 -2.534 1.00 0.00 ? 28 LYS B CA 16 ATOM 22457 C C . LYS B 1 28 ? -10.131 2.671 -3.562 1.00 0.00 ? 28 LYS B C 16 ATOM 22458 O O . LYS B 1 28 ? -11.000 3.489 -3.264 1.00 0.00 ? 28 LYS B O 16 ATOM 22459 C CB . LYS B 1 28 ? -7.961 3.236 -2.453 1.00 0.00 ? 28 LYS B CB 16 ATOM 22460 C CG . LYS B 1 28 ? -8.311 4.479 -1.652 1.00 0.00 ? 28 LYS B CG 16 ATOM 22461 C CD . LYS B 1 28 ? -7.874 5.746 -2.369 1.00 0.00 ? 28 LYS B CD 16 ATOM 22462 C CE . LYS B 1 28 ? -6.400 6.036 -2.138 1.00 0.00 ? 28 LYS B CE 16 ATOM 22463 N NZ . LYS B 1 28 ? -5.972 7.300 -2.799 1.00 0.00 ? 28 LYS B NZ 16 ATOM 22464 H H . LYS B 1 28 ? -7.697 0.830 -3.293 1.00 0.00 ? 28 LYS B H 16 ATOM 22465 H HA . LYS B 1 28 ? -9.577 2.149 -1.569 1.00 0.00 ? 28 LYS B HA 16 ATOM 22466 H HB2 . LYS B 1 28 ? -7.106 2.766 -1.991 1.00 0.00 ? 28 LYS B HB2 16 ATOM 22467 H HB3 . LYS B 1 28 ? -7.696 3.542 -3.454 1.00 0.00 ? 28 LYS B HB3 16 ATOM 22468 H HG2 . LYS B 1 28 ? -9.381 4.511 -1.506 1.00 0.00 ? 28 LYS B HG2 16 ATOM 22469 H HG3 . LYS B 1 28 ? -7.816 4.429 -0.693 1.00 0.00 ? 28 LYS B HG3 16 ATOM 22470 H HD2 . LYS B 1 28 ? -8.043 5.625 -3.429 1.00 0.00 ? 28 LYS B HD2 16 ATOM 22471 H HD3 . LYS B 1 28 ? -8.458 6.576 -2.001 1.00 0.00 ? 28 LYS B HD3 16 ATOM 22472 H HE2 . LYS B 1 28 ? -6.225 6.121 -1.074 1.00 0.00 ? 28 LYS B HE2 16 ATOM 22473 H HE3 . LYS B 1 28 ? -5.818 5.217 -2.533 1.00 0.00 ? 28 LYS B HE3 16 ATOM 22474 H HZ1 . LYS B 1 28 ? -6.730 8.009 -2.741 1.00 0.00 ? 28 LYS B HZ1 16 ATOM 22475 H HZ2 . LYS B 1 28 ? -5.122 7.677 -2.332 1.00 0.00 ? 28 LYS B HZ2 16 ATOM 22476 H HZ3 . LYS B 1 28 ? -5.753 7.122 -3.800 1.00 0.00 ? 28 LYS B HZ3 16 ATOM 22477 N N . GLN B 1 29 ? -10.030 2.130 -4.772 1.00 0.00 ? 29 GLN B N 16 ATOM 22478 C CA . GLN B 1 29 ? -10.956 2.477 -5.842 1.00 0.00 ? 29 GLN B CA 16 ATOM 22479 C C . GLN B 1 29 ? -12.292 1.771 -5.641 1.00 0.00 ? 29 GLN B C 16 ATOM 22480 O O . GLN B 1 29 ? -13.354 2.353 -5.864 1.00 0.00 ? 29 GLN B O 16 ATOM 22481 C CB . GLN B 1 29 ? -10.365 2.100 -7.201 1.00 0.00 ? 29 GLN B CB 16 ATOM 22482 C CG . GLN B 1 29 ? -11.008 2.830 -8.368 1.00 0.00 ? 29 GLN B CG 16 ATOM 22483 C CD . GLN B 1 29 ? -10.052 3.780 -9.061 1.00 0.00 ? 29 GLN B CD 16 ATOM 22484 O OE1 . GLN B 1 29 ? -9.203 3.359 -9.849 1.00 0.00 ? 29 GLN B OE1 16 ATOM 22485 N NE2 . GLN B 1 29 ? -10.182 5.069 -8.770 1.00 0.00 ? 29 GLN B NE2 16 ATOM 22486 H H . GLN B 1 29 ? -9.319 1.481 -4.949 1.00 0.00 ? 29 GLN B H 16 ATOM 22487 H HA . GLN B 1 29 ? -11.117 3.544 -5.811 1.00 0.00 ? 29 GLN B HA 16 ATOM 22488 H HB2 . GLN B 1 29 ? -9.310 2.331 -7.199 1.00 0.00 ? 29 GLN B HB2 16 ATOM 22489 H HB3 . GLN B 1 29 ? -10.492 1.039 -7.355 1.00 0.00 ? 29 GLN B HB3 16 ATOM 22490 H HG2 . GLN B 1 29 ? -11.352 2.102 -9.087 1.00 0.00 ? 29 GLN B HG2 16 ATOM 22491 H HG3 . GLN B 1 29 ? -11.851 3.397 -8.001 1.00 0.00 ? 29 GLN B HG3 16 ATOM 22492 H HE21 . GLN B 1 29 ? -10.878 5.331 -8.134 1.00 0.00 ? 29 GLN B HE21 16 ATOM 22493 H HE22 . GLN B 1 29 ? -9.576 5.705 -9.204 1.00 0.00 ? 29 GLN B HE22 16 ATOM 22494 N N . SER B 1 30 ? -12.230 0.514 -5.214 1.00 0.00 ? 30 SER B N 16 ATOM 22495 C CA . SER B 1 30 ? -13.435 -0.272 -4.979 1.00 0.00 ? 30 SER B CA 16 ATOM 22496 C C . SER B 1 30 ? -14.184 0.241 -3.753 1.00 0.00 ? 30 SER B C 16 ATOM 22497 O O . SER B 1 30 ? -15.412 0.324 -3.755 1.00 0.00 ? 30 SER B O 16 ATOM 22498 C CB . SER B 1 30 ? -13.080 -1.749 -4.796 1.00 0.00 ? 30 SER B CB 16 ATOM 22499 O OG . SER B 1 30 ? -13.061 -2.427 -6.039 1.00 0.00 ? 30 SER B OG 16 ATOM 22500 H H . SER B 1 30 ? -11.351 0.105 -5.053 1.00 0.00 ? 30 SER B H 16 ATOM 22501 H HA . SER B 1 30 ? -14.071 -0.167 -5.844 1.00 0.00 ? 30 SER B HA 16 ATOM 22502 H HB2 . SER B 1 30 ? -12.104 -1.828 -4.342 1.00 0.00 ? 30 SER B HB2 16 ATOM 22503 H HB3 . SER B 1 30 ? -13.814 -2.215 -4.155 1.00 0.00 ? 30 SER B HB3 16 ATOM 22504 H HG . SER B 1 30 ? -12.848 -3.352 -5.897 1.00 0.00 ? 30 SER B HG 16 ATOM 22505 N N . ILE B 1 31 ? -13.438 0.585 -2.708 1.00 0.00 ? 31 ILE B N 16 ATOM 22506 C CA . ILE B 1 31 ? -14.034 1.091 -1.479 1.00 0.00 ? 31 ILE B CA 16 ATOM 22507 C C . ILE B 1 31 ? -14.481 2.539 -1.649 1.00 0.00 ? 31 ILE B C 16 ATOM 22508 O O . ILE B 1 31 ? -15.416 2.992 -0.989 1.00 0.00 ? 31 ILE B O 16 ATOM 22509 C CB . ILE B 1 31 ? -13.045 0.996 -0.303 1.00 0.00 ? 31 ILE B CB 16 ATOM 22510 C CG1 . ILE B 1 31 ? -13.672 1.531 0.984 1.00 0.00 ? 31 ILE B CG1 16 ATOM 22511 C CG2 . ILE B 1 31 ? -11.767 1.751 -0.624 1.00 0.00 ? 31 ILE B CG2 16 ATOM 22512 C CD1 . ILE B 1 31 ? -14.601 0.546 1.653 1.00 0.00 ? 31 ILE B CD1 16 ATOM 22513 H H . ILE B 1 31 ? -12.462 0.499 -2.766 1.00 0.00 ? 31 ILE B H 16 ATOM 22514 H HA . ILE B 1 31 ? -14.896 0.482 -1.249 1.00 0.00 ? 31 ILE B HA 16 ATOM 22515 H HB . ILE B 1 31 ? -12.793 -0.045 -0.164 1.00 0.00 ? 31 ILE B HB 16 ATOM 22516 H HG12 . ILE B 1 31 ? -12.885 1.770 1.685 1.00 0.00 ? 31 ILE B HG12 16 ATOM 22517 H HG13 . ILE B 1 31 ? -14.235 2.424 0.762 1.00 0.00 ? 31 ILE B HG13 16 ATOM 22518 H HG21 . ILE B 1 31 ? -11.756 2.012 -1.673 1.00 0.00 ? 31 ILE B HG21 16 ATOM 22519 H HG22 . ILE B 1 31 ? -11.720 2.650 -0.028 1.00 0.00 ? 31 ILE B HG22 16 ATOM 22520 H HG23 . ILE B 1 31 ? -10.914 1.127 -0.401 1.00 0.00 ? 31 ILE B HG23 16 ATOM 22521 H HD11 . ILE B 1 31 ? -15.289 0.146 0.923 1.00 0.00 ? 31 ILE B HD11 16 ATOM 22522 H HD12 . ILE B 1 31 ? -14.023 -0.259 2.081 1.00 0.00 ? 31 ILE B HD12 16 ATOM 22523 H HD13 . ILE B 1 31 ? -15.155 1.046 2.434 1.00 0.00 ? 31 ILE B HD13 16 ATOM 22524 N N . LYS B 1 32 ? -13.810 3.257 -2.544 1.00 0.00 ? 32 LYS B N 16 ATOM 22525 C CA . LYS B 1 32 ? -14.141 4.651 -2.807 1.00 0.00 ? 32 LYS B CA 16 ATOM 22526 C C . LYS B 1 32 ? -15.360 4.752 -3.718 1.00 0.00 ? 32 LYS B C 16 ATOM 22527 O O . LYS B 1 32 ? -16.090 5.742 -3.685 1.00 0.00 ? 32 LYS B O 16 ATOM 22528 C CB . LYS B 1 32 ? -12.950 5.369 -3.445 1.00 0.00 ? 32 LYS B CB 16 ATOM 22529 C CG . LYS B 1 32 ? -13.232 6.822 -3.795 1.00 0.00 ? 32 LYS B CG 16 ATOM 22530 C CD . LYS B 1 32 ? -11.964 7.659 -3.760 1.00 0.00 ? 32 LYS B CD 16 ATOM 22531 C CE . LYS B 1 32 ? -11.560 7.999 -2.334 1.00 0.00 ? 32 LYS B CE 16 ATOM 22532 N NZ . LYS B 1 32 ? -11.838 9.424 -2.004 1.00 0.00 ? 32 LYS B NZ 16 ATOM 22533 H H . LYS B 1 32 ? -13.078 2.836 -3.042 1.00 0.00 ? 32 LYS B H 16 ATOM 22534 H HA . LYS B 1 32 ? -14.371 5.121 -1.863 1.00 0.00 ? 32 LYS B HA 16 ATOM 22535 H HB2 . LYS B 1 32 ? -12.118 5.341 -2.758 1.00 0.00 ? 32 LYS B HB2 16 ATOM 22536 H HB3 . LYS B 1 32 ? -12.676 4.851 -4.352 1.00 0.00 ? 32 LYS B HB3 16 ATOM 22537 H HG2 . LYS B 1 32 ? -13.655 6.868 -4.787 1.00 0.00 ? 32 LYS B HG2 16 ATOM 22538 H HG3 . LYS B 1 32 ? -13.937 7.222 -3.081 1.00 0.00 ? 32 LYS B HG3 16 ATOM 22539 H HD2 . LYS B 1 32 ? -11.165 7.103 -4.227 1.00 0.00 ? 32 LYS B HD2 16 ATOM 22540 H HD3 . LYS B 1 32 ? -12.134 8.575 -4.306 1.00 0.00 ? 32 LYS B HD3 16 ATOM 22541 H HE2 . LYS B 1 32 ? -12.113 7.367 -1.656 1.00 0.00 ? 32 LYS B HE2 16 ATOM 22542 H HE3 . LYS B 1 32 ? -10.503 7.812 -2.220 1.00 0.00 ? 32 LYS B HE3 16 ATOM 22543 H HZ1 . LYS B 1 32 ? -11.490 10.042 -2.764 1.00 0.00 ? 32 LYS B HZ1 16 ATOM 22544 H HZ2 . LYS B 1 32 ? -12.862 9.572 -1.893 1.00 0.00 ? 32 LYS B HZ2 16 ATOM 22545 H HZ3 . LYS B 1 32 ? -11.364 9.684 -1.115 1.00 0.00 ? 32 LYS B HZ3 16 ATOM 22546 N N . LYS B 1 33 ? -15.575 3.718 -4.526 1.00 0.00 ? 33 LYS B N 16 ATOM 22547 C CA . LYS B 1 33 ? -16.707 3.689 -5.442 1.00 0.00 ? 33 LYS B CA 16 ATOM 22548 C C . LYS B 1 33 ? -17.989 3.321 -4.704 1.00 0.00 ? 33 LYS B C 16 ATOM 22549 O O . LYS B 1 33 ? -19.057 3.867 -4.981 1.00 0.00 ? 33 LYS B O 16 ATOM 22550 C CB . LYS B 1 33 ? -16.451 2.691 -6.573 1.00 0.00 ? 33 LYS B CB 16 ATOM 22551 C CG . LYS B 1 33 ? -17.622 2.543 -7.531 1.00 0.00 ? 33 LYS B CG 16 ATOM 22552 C CD . LYS B 1 33 ? -17.187 1.925 -8.850 1.00 0.00 ? 33 LYS B CD 16 ATOM 22553 C CE . LYS B 1 33 ? -17.844 0.573 -9.075 1.00 0.00 ? 33 LYS B CE 16 ATOM 22554 N NZ . LYS B 1 33 ? -19.140 0.697 -9.798 1.00 0.00 ? 33 LYS B NZ 16 ATOM 22555 H H . LYS B 1 33 ? -14.958 2.956 -4.503 1.00 0.00 ? 33 LYS B H 16 ATOM 22556 H HA . LYS B 1 33 ? -16.819 4.677 -5.864 1.00 0.00 ? 33 LYS B HA 16 ATOM 22557 H HB2 . LYS B 1 33 ? -15.591 3.018 -7.138 1.00 0.00 ? 33 LYS B HB2 16 ATOM 22558 H HB3 . LYS B 1 33 ? -16.241 1.722 -6.143 1.00 0.00 ? 33 LYS B HB3 16 ATOM 22559 H HG2 . LYS B 1 33 ? -18.367 1.907 -7.076 1.00 0.00 ? 33 LYS B HG2 16 ATOM 22560 H HG3 . LYS B 1 33 ? -18.045 3.517 -7.721 1.00 0.00 ? 33 LYS B HG3 16 ATOM 22561 H HD2 . LYS B 1 33 ? -17.466 2.588 -9.656 1.00 0.00 ? 33 LYS B HD2 16 ATOM 22562 H HD3 . LYS B 1 33 ? -16.115 1.798 -8.841 1.00 0.00 ? 33 LYS B HD3 16 ATOM 22563 H HE2 . LYS B 1 33 ? -17.176 -0.045 -9.658 1.00 0.00 ? 33 LYS B HE2 16 ATOM 22564 H HE3 . LYS B 1 33 ? -18.019 0.108 -8.117 1.00 0.00 ? 33 LYS B HE3 16 ATOM 22565 H HZ1 . LYS B 1 33 ? -19.136 1.550 -10.395 1.00 0.00 ? 33 LYS B HZ1 16 ATOM 22566 H HZ2 . LYS B 1 33 ? -19.295 -0.134 -10.402 1.00 0.00 ? 33 LYS B HZ2 16 ATOM 22567 H HZ3 . LYS B 1 33 ? -19.923 0.768 -9.117 1.00 0.00 ? 33 LYS B HZ3 16 ATOM 22568 N N . LEU B 1 34 ? -17.875 2.392 -3.760 1.00 0.00 ? 34 LEU B N 16 ATOM 22569 C CA . LEU B 1 34 ? -19.024 1.952 -2.978 1.00 0.00 ? 34 LEU B CA 16 ATOM 22570 C C . LEU B 1 34 ? -19.424 3.013 -1.958 1.00 0.00 ? 34 LEU B C 16 ATOM 22571 O O . LEU B 1 34 ? -20.602 3.170 -1.639 1.00 0.00 ? 34 LEU B O 16 ATOM 22572 C CB . LEU B 1 34 ? -18.711 0.635 -2.266 1.00 0.00 ? 34 LEU B CB 16 ATOM 22573 C CG . LEU B 1 34 ? -19.280 -0.616 -2.937 1.00 0.00 ? 34 LEU B CG 16 ATOM 22574 C CD1 . LEU B 1 34 ? -18.210 -1.690 -3.059 1.00 0.00 ? 34 LEU B CD1 16 ATOM 22575 C CD2 . LEU B 1 34 ? -20.477 -1.139 -2.158 1.00 0.00 ? 34 LEU B CD2 16 ATOM 22576 H H . LEU B 1 34 ? -16.997 1.994 -3.584 1.00 0.00 ? 34 LEU B H 16 ATOM 22577 H HA . LEU B 1 34 ? -19.848 1.796 -3.658 1.00 0.00 ? 34 LEU B HA 16 ATOM 22578 H HB2 . LEU B 1 34 ? -17.636 0.530 -2.207 1.00 0.00 ? 34 LEU B HB2 16 ATOM 22579 H HB3 . LEU B 1 34 ? -19.105 0.689 -1.263 1.00 0.00 ? 34 LEU B HB3 16 ATOM 22580 H HG . LEU B 1 34 ? -19.613 -0.362 -3.933 1.00 0.00 ? 34 LEU B HG 16 ATOM 22581 H HD11 . LEU B 1 34 ? -17.240 -1.224 -3.140 1.00 0.00 ? 34 LEU B HD11 16 ATOM 22582 H HD12 . LEU B 1 34 ? -18.234 -2.322 -2.183 1.00 0.00 ? 34 LEU B HD12 16 ATOM 22583 H HD13 . LEU B 1 34 ? -18.398 -2.287 -3.939 1.00 0.00 ? 34 LEU B HD13 16 ATOM 22584 H HD21 . LEU B 1 34 ? -20.978 -0.315 -1.671 1.00 0.00 ? 34 LEU B HD21 16 ATOM 22585 H HD22 . LEU B 1 34 ? -21.162 -1.628 -2.835 1.00 0.00 ? 34 LEU B HD22 16 ATOM 22586 H HD23 . LEU B 1 34 ? -20.142 -1.846 -1.413 1.00 0.00 ? 34 LEU B HD23 16 ATOM 22587 N N . LYS B 1 35 ? -18.433 3.741 -1.451 1.00 0.00 ? 35 LYS B N 16 ATOM 22588 C CA . LYS B 1 35 ? -18.682 4.790 -0.469 1.00 0.00 ? 35 LYS B CA 16 ATOM 22589 C C . LYS B 1 35 ? -19.245 6.038 -1.139 1.00 0.00 ? 35 LYS B C 16 ATOM 22590 O O . LYS B 1 35 ? -20.043 6.767 -0.550 1.00 0.00 ? 35 LYS B O 16 ATOM 22591 C CB . LYS B 1 35 ? -17.393 5.135 0.278 1.00 0.00 ? 35 LYS B CB 16 ATOM 22592 C CG . LYS B 1 35 ? -17.600 6.096 1.438 1.00 0.00 ? 35 LYS B CG 16 ATOM 22593 C CD . LYS B 1 35 ? -16.291 6.404 2.146 1.00 0.00 ? 35 LYS B CD 16 ATOM 22594 C CE . LYS B 1 35 ? -15.783 5.202 2.926 1.00 0.00 ? 35 LYS B CE 16 ATOM 22595 N NZ . LYS B 1 35 ? -14.359 5.363 3.331 1.00 0.00 ? 35 LYS B NZ 16 ATOM 22596 H H . LYS B 1 35 ? -17.514 3.571 -1.746 1.00 0.00 ? 35 LYS B H 16 ATOM 22597 H HA . LYS B 1 35 ? -19.409 4.416 0.237 1.00 0.00 ? 35 LYS B HA 16 ATOM 22598 H HB2 . LYS B 1 35 ? -16.960 4.224 0.667 1.00 0.00 ? 35 LYS B HB2 16 ATOM 22599 H HB3 . LYS B 1 35 ? -16.698 5.586 -0.415 1.00 0.00 ? 35 LYS B HB3 16 ATOM 22600 H HG2 . LYS B 1 35 ? -18.018 7.017 1.059 1.00 0.00 ? 35 LYS B HG2 16 ATOM 22601 H HG3 . LYS B 1 35 ? -18.285 5.650 2.144 1.00 0.00 ? 35 LYS B HG3 16 ATOM 22602 H HD2 . LYS B 1 35 ? -15.551 6.682 1.410 1.00 0.00 ? 35 LYS B HD2 16 ATOM 22603 H HD3 . LYS B 1 35 ? -16.448 7.226 2.830 1.00 0.00 ? 35 LYS B HD3 16 ATOM 22604 H HE2 . LYS B 1 35 ? -16.388 5.081 3.812 1.00 0.00 ? 35 LYS B HE2 16 ATOM 22605 H HE3 . LYS B 1 35 ? -15.874 4.322 2.306 1.00 0.00 ? 35 LYS B HE3 16 ATOM 22606 H HZ1 . LYS B 1 35 ? -14.219 6.289 3.782 1.00 0.00 ? 35 LYS B HZ1 16 ATOM 22607 H HZ2 . LYS B 1 35 ? -14.092 4.617 4.005 1.00 0.00 ? 35 LYS B HZ2 16 ATOM 22608 H HZ3 . LYS B 1 35 ? -13.741 5.299 2.496 1.00 0.00 ? 35 LYS B HZ3 16 ATOM 22609 N N . GLN B 1 36 ? -18.825 6.278 -2.378 1.00 0.00 ? 36 GLN B N 16 ATOM 22610 C CA . GLN B 1 36 ? -19.289 7.436 -3.131 1.00 0.00 ? 36 GLN B CA 16 ATOM 22611 C C . GLN B 1 36 ? -20.715 7.225 -3.627 1.00 0.00 ? 36 GLN B C 16 ATOM 22612 O O . GLN B 1 36 ? -21.480 8.178 -3.777 1.00 0.00 ? 36 GLN B O 16 ATOM 22613 C CB . GLN B 1 36 ? -18.359 7.707 -4.315 1.00 0.00 ? 36 GLN B CB 16 ATOM 22614 C CG . GLN B 1 36 ? -18.743 8.938 -5.121 1.00 0.00 ? 36 GLN B CG 16 ATOM 22615 C CD . GLN B 1 36 ? -17.856 9.140 -6.334 1.00 0.00 ? 36 GLN B CD 16 ATOM 22616 O OE1 . GLN B 1 36 ? -17.176 10.159 -6.457 1.00 0.00 ? 36 GLN B OE1 16 ATOM 22617 N NE2 . GLN B 1 36 ? -17.860 8.168 -7.238 1.00 0.00 ? 36 GLN B NE2 16 ATOM 22618 H H . GLN B 1 36 ? -18.190 5.659 -2.796 1.00 0.00 ? 36 GLN B H 16 ATOM 22619 H HA . GLN B 1 36 ? -19.274 8.290 -2.469 1.00 0.00 ? 36 GLN B HA 16 ATOM 22620 H HB2 . GLN B 1 36 ? -17.354 7.846 -3.945 1.00 0.00 ? 36 GLN B HB2 16 ATOM 22621 H HB3 . GLN B 1 36 ? -18.376 6.852 -4.975 1.00 0.00 ? 36 GLN B HB3 16 ATOM 22622 H HG2 . GLN B 1 36 ? -19.764 8.830 -5.454 1.00 0.00 ? 36 GLN B HG2 16 ATOM 22623 H HG3 . GLN B 1 36 ? -18.663 9.808 -4.486 1.00 0.00 ? 36 GLN B HG3 16 ATOM 22624 H HE21 . GLN B 1 36 ? -18.426 7.385 -7.073 1.00 0.00 ? 36 GLN B HE21 16 ATOM 22625 H HE22 . GLN B 1 36 ? -17.296 8.272 -8.033 1.00 0.00 ? 36 GLN B HE22 16 ATOM 22626 N N . SER B 1 37 ? -21.067 5.968 -3.879 1.00 0.00 ? 37 SER B N 16 ATOM 22627 C CA . SER B 1 37 ? -22.402 5.629 -4.357 1.00 0.00 ? 37 SER B CA 16 ATOM 22628 C C . SER B 1 37 ? -23.431 5.775 -3.240 1.00 0.00 ? 37 SER B C 16 ATOM 22629 O O . SER B 1 37 ? -24.611 6.014 -3.497 1.00 0.00 ? 37 SER B O 16 ATOM 22630 C CB . SER B 1 37 ? -22.424 4.201 -4.904 1.00 0.00 ? 37 SER B CB 16 ATOM 22631 O OG . SER B 1 37 ? -21.637 4.091 -6.077 1.00 0.00 ? 37 SER B OG 16 ATOM 22632 H H . SER B 1 37 ? -20.414 5.251 -3.739 1.00 0.00 ? 37 SER B H 16 ATOM 22633 H HA . SER B 1 37 ? -22.653 6.315 -5.152 1.00 0.00 ? 37 SER B HA 16 ATOM 22634 H HB2 . SER B 1 37 ? -22.032 3.526 -4.159 1.00 0.00 ? 37 SER B HB2 16 ATOM 22635 H HB3 . SER B 1 37 ? -23.441 3.924 -5.140 1.00 0.00 ? 37 SER B HB3 16 ATOM 22636 H HG . SER B 1 37 ? -21.850 3.272 -6.530 1.00 0.00 ? 37 SER B HG 16 ATOM 22637 N N . GLU B 1 38 ? -22.975 5.630 -2.000 1.00 0.00 ? 38 GLU B N 16 ATOM 22638 C CA . GLU B 1 38 ? -23.855 5.745 -0.844 1.00 0.00 ? 38 GLU B CA 16 ATOM 22639 C C . GLU B 1 38 ? -24.290 7.193 -0.635 1.00 0.00 ? 38 GLU B C 16 ATOM 22640 O O . GLU B 1 38 ? -25.363 7.457 -0.093 1.00 0.00 ? 38 GLU B O 16 ATOM 22641 C CB . GLU B 1 38 ? -23.153 5.224 0.412 1.00 0.00 ? 38 GLU B CB 16 ATOM 22642 C CG . GLU B 1 38 ? -23.870 4.056 1.069 1.00 0.00 ? 38 GLU B CG 16 ATOM 22643 C CD . GLU B 1 38 ? -23.991 4.215 2.571 1.00 0.00 ? 38 GLU B CD 16 ATOM 22644 O OE1 . GLU B 1 38 ? -23.355 5.138 3.123 1.00 0.00 ? 38 GLU B OE1 16 ATOM 22645 O OE2 . GLU B 1 38 ? -24.722 3.419 3.196 1.00 0.00 ? 38 GLU B OE2 16 ATOM 22646 H H . GLU B 1 38 ? -22.023 5.440 -1.860 1.00 0.00 ? 38 GLU B H 16 ATOM 22647 H HA . GLU B 1 38 ? -24.731 5.142 -1.032 1.00 0.00 ? 38 GLU B HA 16 ATOM 22648 H HB2 . GLU B 1 38 ? -22.157 4.904 0.146 1.00 0.00 ? 38 GLU B HB2 16 ATOM 22649 H HB3 . GLU B 1 38 ? -23.085 6.026 1.132 1.00 0.00 ? 38 GLU B HB3 16 ATOM 22650 H HG2 . GLU B 1 38 ? -24.862 3.976 0.649 1.00 0.00 ? 38 GLU B HG2 16 ATOM 22651 H HG3 . GLU B 1 38 ? -23.319 3.149 0.860 1.00 0.00 ? 38 GLU B HG3 16 ATOM 22652 N N . ASP B 1 39 ? -23.449 8.125 -1.068 1.00 0.00 ? 39 ASP B N 16 ATOM 22653 C CA . ASP B 1 39 ? -23.746 9.546 -0.929 1.00 0.00 ? 39 ASP B CA 16 ATOM 22654 C C . ASP B 1 39 ? -24.789 9.987 -1.950 1.00 0.00 ? 39 ASP B C 16 ATOM 22655 O O . ASP B 1 39 ? -25.701 10.751 -1.632 1.00 0.00 ? 39 ASP B O 16 ATOM 22656 C CB . ASP B 1 39 ? -22.471 10.374 -1.096 1.00 0.00 ? 39 ASP B CB 16 ATOM 22657 C CG . ASP B 1 39 ? -21.757 10.609 0.221 1.00 0.00 ? 39 ASP B CG 16 ATOM 22658 O OD1 . ASP B 1 39 ? -21.181 9.643 0.764 1.00 0.00 ? 39 ASP B OD1 16 ATOM 22659 O OD2 . ASP B 1 39 ? -21.774 11.759 0.709 1.00 0.00 ? 39 ASP B OD2 16 ATOM 22660 H H . ASP B 1 39 ? -22.608 7.853 -1.492 1.00 0.00 ? 39 ASP B H 16 ATOM 22661 H HA . ASP B 1 39 ? -24.141 9.707 0.064 1.00 0.00 ? 39 ASP B HA 16 ATOM 22662 H HB2 . ASP B 1 39 ? -21.797 9.856 -1.761 1.00 0.00 ? 39 ASP B HB2 16 ATOM 22663 H HB3 . ASP B 1 39 ? -22.725 11.333 -1.523 1.00 0.00 ? 39 ASP B HB3 16 ATOM 22664 N N . ASP B 1 40 ? -24.650 9.499 -3.178 1.00 0.00 ? 40 ASP B N 16 ATOM 22665 C CA . ASP B 1 40 ? -25.581 9.842 -4.247 1.00 0.00 ? 40 ASP B CA 16 ATOM 22666 C C . ASP B 1 40 ? -25.409 8.906 -5.439 1.00 0.00 ? 40 ASP B C 16 ATOM 22667 O O . ASP B 1 40 ? -24.296 8.499 -5.766 1.00 0.00 ? 40 ASP B O 16 ATOM 22668 C CB . ASP B 1 40 ? -25.371 11.292 -4.689 1.00 0.00 ? 40 ASP B CB 16 ATOM 22669 C CG . ASP B 1 40 ? -23.987 11.528 -5.261 1.00 0.00 ? 40 ASP B CG 16 ATOM 22670 O OD1 . ASP B 1 40 ? -23.619 10.833 -6.231 1.00 0.00 ? 40 ASP B OD1 16 ATOM 22671 O OD2 . ASP B 1 40 ? -23.271 12.406 -4.737 1.00 0.00 ? 40 ASP B OD2 16 ATOM 22672 H H . ASP B 1 40 ? -23.903 8.894 -3.371 1.00 0.00 ? 40 ASP B H 16 ATOM 22673 H HA . ASP B 1 40 ? -26.583 9.735 -3.861 1.00 0.00 ? 40 ASP B HA 16 ATOM 22674 H HB2 . ASP B 1 40 ? -26.100 11.540 -5.446 1.00 0.00 ? 40 ASP B HB2 16 ATOM 22675 H HB3 . ASP B 1 40 ? -25.506 11.944 -3.839 1.00 0.00 ? 40 ASP B HB3 16 ATOM 22676 N N . ASP B 1 41 ? -26.522 8.568 -6.085 1.00 0.00 ? 41 ASP B N 16 ATOM 22677 C CA . ASP B 1 41 ? -26.495 7.680 -7.241 1.00 0.00 ? 41 ASP B CA 16 ATOM 22678 C C . ASP B 1 41 ? -26.598 8.474 -8.540 1.00 0.00 ? 41 ASP B C 16 ATOM 22679 O O . ASP B 1 41 ? -25.600 8.512 -9.289 1.00 0.00 ? 41 ASP B O 16 ATOM 22680 C CB . ASP B 1 41 ? -27.637 6.666 -7.156 1.00 0.00 ? 41 ASP B CB 16 ATOM 22681 C CG . ASP B 1 41 ? -27.341 5.542 -6.182 1.00 0.00 ? 41 ASP B CG 16 ATOM 22682 O OD1 . ASP B 1 41 ? -26.552 4.640 -6.538 1.00 0.00 ? 41 ASP B OD1 16 ATOM 22683 O OD2 . ASP B 1 41 ? -27.897 5.564 -5.064 1.00 0.00 ? 41 ASP B OD2 16 ATOM 22684 O OXT . ASP B 1 41 ? -27.678 9.048 -8.796 1.00 0.00 ? 41 ASP B OXT 16 ATOM 22685 H H . ASP B 1 41 ? -27.380 8.926 -5.777 1.00 0.00 ? 41 ASP B H 16 ATOM 22686 H HA . ASP B 1 41 ? -25.554 7.152 -7.230 1.00 0.00 ? 41 ASP B HA 16 ATOM 22687 H HB2 . ASP B 1 41 ? -28.535 7.170 -6.834 1.00 0.00 ? 41 ASP B HB2 16 ATOM 22688 H HB3 . ASP B 1 41 ? -27.801 6.236 -8.135 1.00 0.00 ? 41 ASP B HB3 16 ATOM 22689 N N . ALA A 1 1 ? -31.137 -4.645 1.838 1.00 0.00 ? 1 ALA A N 17 ATOM 22690 C CA . ALA A 1 1 ? -31.593 -5.579 2.902 1.00 0.00 ? 1 ALA A CA 17 ATOM 22691 C C . ALA A 1 1 ? -30.888 -6.926 2.786 1.00 0.00 ? 1 ALA A C 17 ATOM 22692 O O . ALA A 1 1 ? -30.031 -7.262 3.604 1.00 0.00 ? 1 ALA A O 17 ATOM 22693 C CB . ALA A 1 1 ? -33.101 -5.765 2.829 1.00 0.00 ? 1 ALA A CB 17 ATOM 22694 H H1 . ALA A 1 1 ? -30.910 -5.213 0.996 1.00 0.00 ? 1 ALA A H1 17 ATOM 22695 H H2 . ALA A 1 1 ? -31.913 -3.981 1.645 1.00 0.00 ? 1 ALA A H2 17 ATOM 22696 H H3 . ALA A 1 1 ? -30.298 -4.146 2.193 1.00 0.00 ? 1 ALA A H3 17 ATOM 22697 H HA . ALA A 1 1 ? -31.355 -5.142 3.861 1.00 0.00 ? 1 ALA A HA 17 ATOM 22698 H HB1 . ALA A 1 1 ? -33.494 -5.198 1.997 1.00 0.00 ? 1 ALA A HB1 17 ATOM 22699 H HB2 . ALA A 1 1 ? -33.328 -6.811 2.691 1.00 0.00 ? 1 ALA A HB2 17 ATOM 22700 H HB3 . ALA A 1 1 ? -33.551 -5.416 3.747 1.00 0.00 ? 1 ALA A HB3 17 ATOM 22701 N N . LEU A 1 2 ? -31.256 -7.695 1.766 1.00 0.00 ? 2 LEU A N 17 ATOM 22702 C CA . LEU A 1 2 ? -30.658 -9.006 1.544 1.00 0.00 ? 2 LEU A CA 17 ATOM 22703 C C . LEU A 1 2 ? -29.168 -8.882 1.243 1.00 0.00 ? 2 LEU A C 17 ATOM 22704 O O . LEU A 1 2 ? -28.398 -9.813 1.478 1.00 0.00 ? 2 LEU A O 17 ATOM 22705 C CB . LEU A 1 2 ? -31.364 -9.723 0.392 1.00 0.00 ? 2 LEU A CB 17 ATOM 22706 C CG . LEU A 1 2 ? -31.066 -11.219 0.279 1.00 0.00 ? 2 LEU A CG 17 ATOM 22707 C CD1 . LEU A 1 2 ? -32.231 -11.948 -0.371 1.00 0.00 ? 2 LEU A CD1 17 ATOM 22708 C CD2 . LEU A 1 2 ? -29.786 -11.448 -0.509 1.00 0.00 ? 2 LEU A CD2 17 ATOM 22709 H H . LEU A 1 2 ? -31.944 -7.372 1.148 1.00 0.00 ? 2 LEU A H 17 ATOM 22710 H HA . LEU A 1 2 ? -30.784 -9.585 2.447 1.00 0.00 ? 2 LEU A HA 17 ATOM 22711 H HB2 . LEU A 1 2 ? -32.431 -9.598 0.517 1.00 0.00 ? 2 LEU A HB2 17 ATOM 22712 H HB3 . LEU A 1 2 ? -31.070 -9.250 -0.533 1.00 0.00 ? 2 LEU A HB3 17 ATOM 22713 H HG . LEU A 1 2 ? -30.928 -11.627 1.270 1.00 0.00 ? 2 LEU A HG 17 ATOM 22714 H HD11 . LEU A 1 2 ? -33.146 -11.404 -0.185 1.00 0.00 ? 2 LEU A HD11 17 ATOM 22715 H HD12 . LEU A 1 2 ? -32.064 -12.017 -1.436 1.00 0.00 ? 2 LEU A HD12 17 ATOM 22716 H HD13 . LEU A 1 2 ? -32.312 -12.941 0.045 1.00 0.00 ? 2 LEU A HD13 17 ATOM 22717 H HD21 . LEU A 1 2 ? -29.639 -10.633 -1.203 1.00 0.00 ? 2 LEU A HD21 17 ATOM 22718 H HD22 . LEU A 1 2 ? -28.948 -11.495 0.172 1.00 0.00 ? 2 LEU A HD22 17 ATOM 22719 H HD23 . LEU A 1 2 ? -29.859 -12.376 -1.055 1.00 0.00 ? 2 LEU A HD23 17 ATOM 22720 N N . LYS A 1 3 ? -28.768 -7.727 0.721 1.00 0.00 ? 3 LYS A N 17 ATOM 22721 C CA . LYS A 1 3 ? -27.370 -7.482 0.388 1.00 0.00 ? 3 LYS A CA 17 ATOM 22722 C C . LYS A 1 3 ? -26.624 -6.882 1.575 1.00 0.00 ? 3 LYS A C 17 ATOM 22723 O O . LYS A 1 3 ? -25.896 -5.899 1.431 1.00 0.00 ? 3 LYS A O 17 ATOM 22724 C CB . LYS A 1 3 ? -27.267 -6.547 -0.818 1.00 0.00 ? 3 LYS A CB 17 ATOM 22725 C CG . LYS A 1 3 ? -27.652 -7.206 -2.133 1.00 0.00 ? 3 LYS A CG 17 ATOM 22726 C CD . LYS A 1 3 ? -26.972 -8.556 -2.301 1.00 0.00 ? 3 LYS A CD 17 ATOM 22727 C CE . LYS A 1 3 ? -26.873 -8.953 -3.764 1.00 0.00 ? 3 LYS A CE 17 ATOM 22728 N NZ . LYS A 1 3 ? -26.612 -10.409 -3.929 1.00 0.00 ? 3 LYS A NZ 17 ATOM 22729 H H . LYS A 1 3 ? -29.430 -7.022 0.557 1.00 0.00 ? 3 LYS A H 17 ATOM 22730 H HA . LYS A 1 3 ? -26.919 -8.430 0.137 1.00 0.00 ? 3 LYS A HA 17 ATOM 22731 H HB2 . LYS A 1 3 ? -27.920 -5.701 -0.660 1.00 0.00 ? 3 LYS A HB2 17 ATOM 22732 H HB3 . LYS A 1 3 ? -26.250 -6.195 -0.900 1.00 0.00 ? 3 LYS A HB3 17 ATOM 22733 H HG2 . LYS A 1 3 ? -28.722 -7.348 -2.155 1.00 0.00 ? 3 LYS A HG2 17 ATOM 22734 H HG3 . LYS A 1 3 ? -27.355 -6.561 -2.947 1.00 0.00 ? 3 LYS A HG3 17 ATOM 22735 H HD2 . LYS A 1 3 ? -25.977 -8.501 -1.885 1.00 0.00 ? 3 LYS A HD2 17 ATOM 22736 H HD3 . LYS A 1 3 ? -27.544 -9.303 -1.771 1.00 0.00 ? 3 LYS A HD3 17 ATOM 22737 H HE2 . LYS A 1 3 ? -27.803 -8.705 -4.255 1.00 0.00 ? 3 LYS A HE2 17 ATOM 22738 H HE3 . LYS A 1 3 ? -26.067 -8.397 -4.221 1.00 0.00 ? 3 LYS A HE3 17 ATOM 22739 H HZ1 . LYS A 1 3 ? -27.026 -10.938 -3.134 1.00 0.00 ? 3 LYS A HZ1 17 ATOM 22740 H HZ2 . LYS A 1 3 ? -27.036 -10.751 -4.815 1.00 0.00 ? 3 LYS A HZ2 17 ATOM 22741 H HZ3 . LYS A 1 3 ? -25.588 -10.588 -3.955 1.00 0.00 ? 3 LYS A HZ3 17 ATOM 22742 N N . LYS A 1 4 ? -26.807 -7.481 2.747 1.00 0.00 ? 4 LYS A N 17 ATOM 22743 C CA . LYS A 1 4 ? -26.149 -7.007 3.958 1.00 0.00 ? 4 LYS A CA 17 ATOM 22744 C C . LYS A 1 4 ? -24.645 -7.249 3.888 1.00 0.00 ? 4 LYS A C 17 ATOM 22745 O O . LYS A 1 4 ? -23.853 -6.447 4.383 1.00 0.00 ? 4 LYS A O 17 ATOM 22746 C CB . LYS A 1 4 ? -26.733 -7.702 5.190 1.00 0.00 ? 4 LYS A CB 17 ATOM 22747 C CG . LYS A 1 4 ? -27.960 -7.007 5.756 1.00 0.00 ? 4 LYS A CG 17 ATOM 22748 C CD . LYS A 1 4 ? -27.678 -6.402 7.122 1.00 0.00 ? 4 LYS A CD 17 ATOM 22749 C CE . LYS A 1 4 ? -28.697 -6.856 8.155 1.00 0.00 ? 4 LYS A CE 17 ATOM 22750 N NZ . LYS A 1 4 ? -30.064 -6.969 7.574 1.00 0.00 ? 4 LYS A NZ 17 ATOM 22751 H H . LYS A 1 4 ? -27.397 -8.262 2.799 1.00 0.00 ? 4 LYS A H 17 ATOM 22752 H HA . LYS A 1 4 ? -26.326 -5.945 4.038 1.00 0.00 ? 4 LYS A HA 17 ATOM 22753 H HB2 . LYS A 1 4 ? -27.010 -8.711 4.920 1.00 0.00 ? 4 LYS A HB2 17 ATOM 22754 H HB3 . LYS A 1 4 ? -25.978 -7.740 5.960 1.00 0.00 ? 4 LYS A HB3 17 ATOM 22755 H HG2 . LYS A 1 4 ? -28.261 -6.221 5.081 1.00 0.00 ? 4 LYS A HG2 17 ATOM 22756 H HG3 . LYS A 1 4 ? -28.759 -7.728 5.850 1.00 0.00 ? 4 LYS A HG3 17 ATOM 22757 H HD2 . LYS A 1 4 ? -26.694 -6.707 7.446 1.00 0.00 ? 4 LYS A HD2 17 ATOM 22758 H HD3 . LYS A 1 4 ? -27.714 -5.325 7.043 1.00 0.00 ? 4 LYS A HD3 17 ATOM 22759 H HE2 . LYS A 1 4 ? -28.398 -7.821 8.536 1.00 0.00 ? 4 LYS A HE2 17 ATOM 22760 H HE3 . LYS A 1 4 ? -28.716 -6.140 8.963 1.00 0.00 ? 4 LYS A HE3 17 ATOM 22761 H HZ1 . LYS A 1 4 ? -30.188 -6.269 6.815 1.00 0.00 ? 4 LYS A HZ1 17 ATOM 22762 H HZ2 . LYS A 1 4 ? -30.208 -7.920 7.180 1.00 0.00 ? 4 LYS A HZ2 17 ATOM 22763 H HZ3 . LYS A 1 4 ? -30.780 -6.797 8.308 1.00 0.00 ? 4 LYS A HZ3 17 ATOM 22764 N N . HIS A 1 5 ? -24.258 -8.359 3.269 1.00 0.00 ? 5 HIS A N 17 ATOM 22765 C CA . HIS A 1 5 ? -22.848 -8.705 3.132 1.00 0.00 ? 5 HIS A CA 17 ATOM 22766 C C . HIS A 1 5 ? -22.067 -7.561 2.494 1.00 0.00 ? 5 HIS A C 17 ATOM 22767 O O . HIS A 1 5 ? -20.860 -7.433 2.694 1.00 0.00 ? 5 HIS A O 17 ATOM 22768 C CB . HIS A 1 5 ? -22.692 -9.975 2.294 1.00 0.00 ? 5 HIS A CB 17 ATOM 22769 C CG . HIS A 1 5 ? -23.328 -9.883 0.941 1.00 0.00 ? 5 HIS A CG 17 ATOM 22770 N ND1 . HIS A 1 5 ? -24.273 -10.782 0.490 1.00 0.00 ? 5 HIS A ND1 17 ATOM 22771 C CD2 . HIS A 1 5 ? -23.152 -8.990 -0.062 1.00 0.00 ? 5 HIS A CD2 17 ATOM 22772 C CE1 . HIS A 1 5 ? -24.648 -10.447 -0.731 1.00 0.00 ? 5 HIS A CE1 17 ATOM 22773 N NE2 . HIS A 1 5 ? -23.984 -9.364 -1.088 1.00 0.00 ? 5 HIS A NE2 17 ATOM 22774 H H . HIS A 1 5 ? -24.936 -8.958 2.894 1.00 0.00 ? 5 HIS A H 17 ATOM 22775 H HA . HIS A 1 5 ? -22.454 -8.887 4.121 1.00 0.00 ? 5 HIS A HA 17 ATOM 22776 H HB2 . HIS A 1 5 ? -21.641 -10.178 2.152 1.00 0.00 ? 5 HIS A HB2 17 ATOM 22777 H HB3 . HIS A 1 5 ? -23.145 -10.804 2.819 1.00 0.00 ? 5 HIS A HB3 17 ATOM 22778 H HD1 . HIS A 1 5 ? -24.616 -11.551 0.991 1.00 0.00 ? 5 HIS A HD1 17 ATOM 22779 H HD2 . HIS A 1 5 ? -22.482 -8.142 -0.056 1.00 0.00 ? 5 HIS A HD2 17 ATOM 22780 H HE1 . HIS A 1 5 ? -25.376 -10.969 -1.335 1.00 0.00 ? 5 HIS A HE1 17 ATOM 22781 H HE2 . HIS A 1 5 ? -24.071 -8.903 -1.949 1.00 0.00 ? 5 HIS A HE2 17 ATOM 22782 N N . HIS A 1 6 ? -22.766 -6.730 1.726 1.00 0.00 ? 6 HIS A N 17 ATOM 22783 C CA . HIS A 1 6 ? -22.138 -5.596 1.060 1.00 0.00 ? 6 HIS A CA 17 ATOM 22784 C C . HIS A 1 6 ? -21.502 -4.653 2.075 1.00 0.00 ? 6 HIS A C 17 ATOM 22785 O O . HIS A 1 6 ? -20.360 -4.224 1.907 1.00 0.00 ? 6 HIS A O 17 ATOM 22786 C CB . HIS A 1 6 ? -23.166 -4.838 0.218 1.00 0.00 ? 6 HIS A CB 17 ATOM 22787 C CG . HIS A 1 6 ? -22.787 -4.720 -1.226 1.00 0.00 ? 6 HIS A CG 17 ATOM 22788 N ND1 . HIS A 1 6 ? -22.030 -5.665 -1.886 1.00 0.00 ? 6 HIS A ND1 17 ATOM 22789 C CD2 . HIS A 1 6 ? -23.065 -3.759 -2.139 1.00 0.00 ? 6 HIS A CD2 17 ATOM 22790 C CE1 . HIS A 1 6 ? -21.858 -5.290 -3.142 1.00 0.00 ? 6 HIS A CE1 17 ATOM 22791 N NE2 . HIS A 1 6 ? -22.477 -4.138 -3.319 1.00 0.00 ? 6 HIS A NE2 17 ATOM 22792 H H . HIS A 1 6 ? -23.727 -6.884 1.605 1.00 0.00 ? 6 HIS A H 17 ATOM 22793 H HA . HIS A 1 6 ? -21.365 -5.980 0.410 1.00 0.00 ? 6 HIS A HA 17 ATOM 22794 H HB2 . HIS A 1 6 ? -24.114 -5.354 0.270 1.00 0.00 ? 6 HIS A HB2 17 ATOM 22795 H HB3 . HIS A 1 6 ? -23.282 -3.841 0.615 1.00 0.00 ? 6 HIS A HB3 17 ATOM 22796 H HD1 . HIS A 1 6 ? -21.671 -6.487 -1.492 1.00 0.00 ? 6 HIS A HD1 17 ATOM 22797 H HD2 . HIS A 1 6 ? -23.643 -2.861 -1.970 1.00 0.00 ? 6 HIS A HD2 17 ATOM 22798 H HE1 . HIS A 1 6 ? -21.306 -5.834 -3.894 1.00 0.00 ? 6 HIS A HE1 17 ATOM 22799 H HE2 . HIS A 1 6 ? -22.509 -3.636 -4.161 1.00 0.00 ? 6 HIS A HE2 17 ATOM 22800 N N . GLU A 1 7 ? -22.245 -4.337 3.130 1.00 0.00 ? 7 GLU A N 17 ATOM 22801 C CA . GLU A 1 7 ? -21.748 -3.447 4.172 1.00 0.00 ? 7 GLU A CA 17 ATOM 22802 C C . GLU A 1 7 ? -20.473 -4.004 4.794 1.00 0.00 ? 7 GLU A C 17 ATOM 22803 O O . GLU A 1 7 ? -19.644 -3.254 5.311 1.00 0.00 ? 7 GLU A O 17 ATOM 22804 C CB . GLU A 1 7 ? -22.813 -3.246 5.253 1.00 0.00 ? 7 GLU A CB 17 ATOM 22805 C CG . GLU A 1 7 ? -22.463 -2.161 6.258 1.00 0.00 ? 7 GLU A CG 17 ATOM 22806 C CD . GLU A 1 7 ? -22.325 -2.697 7.670 1.00 0.00 ? 7 GLU A CD 17 ATOM 22807 O OE1 . GLU A 1 7 ? -23.327 -3.211 8.210 1.00 0.00 ? 7 GLU A OE1 17 ATOM 22808 O OE2 . GLU A 1 7 ? -21.215 -2.604 8.235 1.00 0.00 ? 7 GLU A OE2 17 ATOM 22809 H H . GLU A 1 7 ? -23.147 -4.713 3.211 1.00 0.00 ? 7 GLU A H 17 ATOM 22810 H HA . GLU A 1 7 ? -21.525 -2.495 3.716 1.00 0.00 ? 7 GLU A HA 17 ATOM 22811 H HB2 . GLU A 1 7 ? -23.745 -2.978 4.778 1.00 0.00 ? 7 GLU A HB2 17 ATOM 22812 H HB3 . GLU A 1 7 ? -22.946 -4.174 5.789 1.00 0.00 ? 7 GLU A HB3 17 ATOM 22813 H HG2 . GLU A 1 7 ? -21.526 -1.708 5.969 1.00 0.00 ? 7 GLU A HG2 17 ATOM 22814 H HG3 . GLU A 1 7 ? -23.242 -1.413 6.247 1.00 0.00 ? 7 GLU A HG3 17 ATOM 22815 N N . ASN A 1 8 ? -20.318 -5.321 4.732 1.00 0.00 ? 8 ASN A N 17 ATOM 22816 C CA . ASN A 1 8 ? -19.137 -5.975 5.281 1.00 0.00 ? 8 ASN A CA 17 ATOM 22817 C C . ASN A 1 8 ? -17.930 -5.714 4.390 1.00 0.00 ? 8 ASN A C 17 ATOM 22818 O O . ASN A 1 8 ? -16.926 -5.161 4.836 1.00 0.00 ? 8 ASN A O 17 ATOM 22819 C CB . ASN A 1 8 ? -19.372 -7.481 5.420 1.00 0.00 ? 8 ASN A CB 17 ATOM 22820 C CG . ASN A 1 8 ? -20.585 -7.799 6.273 1.00 0.00 ? 8 ASN A CG 17 ATOM 22821 O OD1 . ASN A 1 8 ? -21.515 -7.000 6.375 1.00 0.00 ? 8 ASN A OD1 17 ATOM 22822 N ND2 . ASN A 1 8 ? -20.580 -8.974 6.892 1.00 0.00 ? 8 ASN A ND2 17 ATOM 22823 H H . ASN A 1 8 ? -21.010 -5.865 4.301 1.00 0.00 ? 8 ASN A H 17 ATOM 22824 H HA . ASN A 1 8 ? -18.946 -5.554 6.256 1.00 0.00 ? 8 ASN A HA 17 ATOM 22825 H HB2 . ASN A 1 8 ? -19.524 -7.907 4.440 1.00 0.00 ? 8 ASN A HB2 17 ATOM 22826 H HB3 . ASN A 1 8 ? -18.505 -7.934 5.875 1.00 0.00 ? 8 ASN A HB3 17 ATOM 22827 H HD21 . ASN A 1 8 ? -19.804 -9.561 6.766 1.00 0.00 ? 8 ASN A HD21 17 ATOM 22828 H HD22 . ASN A 1 8 ? -21.350 -9.206 7.451 1.00 0.00 ? 8 ASN A HD22 17 ATOM 22829 N N . GLU A 1 9 ? -18.044 -6.097 3.123 1.00 0.00 ? 9 GLU A N 17 ATOM 22830 C CA . GLU A 1 9 ? -16.968 -5.883 2.168 1.00 0.00 ? 9 GLU A CA 17 ATOM 22831 C C . GLU A 1 9 ? -16.618 -4.400 2.087 1.00 0.00 ? 9 GLU A C 17 ATOM 22832 O O . GLU A 1 9 ? -15.525 -4.033 1.656 1.00 0.00 ? 9 GLU A O 17 ATOM 22833 C CB . GLU A 1 9 ? -17.373 -6.401 0.786 1.00 0.00 ? 9 GLU A CB 17 ATOM 22834 C CG . GLU A 1 9 ? -16.324 -7.289 0.138 1.00 0.00 ? 9 GLU A CG 17 ATOM 22835 C CD . GLU A 1 9 ? -16.071 -6.931 -1.313 1.00 0.00 ? 9 GLU A CD 17 ATOM 22836 O OE1 . GLU A 1 9 ? -16.960 -6.310 -1.935 1.00 0.00 ? 9 GLU A OE1 17 ATOM 22837 O OE2 . GLU A 1 9 ? -14.985 -7.269 -1.828 1.00 0.00 ? 9 GLU A OE2 17 ATOM 22838 H H . GLU A 1 9 ? -18.876 -6.521 2.823 1.00 0.00 ? 9 GLU A H 17 ATOM 22839 H HA . GLU A 1 9 ? -16.102 -6.429 2.510 1.00 0.00 ? 9 GLU A HA 17 ATOM 22840 H HB2 . GLU A 1 9 ? -18.286 -6.969 0.881 1.00 0.00 ? 9 GLU A HB2 17 ATOM 22841 H HB3 . GLU A 1 9 ? -17.550 -5.558 0.135 1.00 0.00 ? 9 GLU A HB3 17 ATOM 22842 H HG2 . GLU A 1 9 ? -15.398 -7.189 0.684 1.00 0.00 ? 9 GLU A HG2 17 ATOM 22843 H HG3 . GLU A 1 9 ? -16.661 -8.316 0.186 1.00 0.00 ? 9 GLU A HG3 17 ATOM 22844 N N . ILE A 1 10 ? -17.556 -3.550 2.505 1.00 0.00 ? 10 ILE A N 17 ATOM 22845 C CA . ILE A 1 10 ? -17.351 -2.110 2.483 1.00 0.00 ? 10 ILE A CA 17 ATOM 22846 C C . ILE A 1 10 ? -16.378 -1.690 3.590 1.00 0.00 ? 10 ILE A C 17 ATOM 22847 O O . ILE A 1 10 ? -15.368 -1.039 3.327 1.00 0.00 ? 10 ILE A O 17 ATOM 22848 C CB . ILE A 1 10 ? -18.724 -1.367 2.588 1.00 0.00 ? 10 ILE A CB 17 ATOM 22849 C CG1 . ILE A 1 10 ? -18.933 -0.472 1.365 1.00 0.00 ? 10 ILE A CG1 17 ATOM 22850 C CG2 . ILE A 1 10 ? -18.884 -0.550 3.872 1.00 0.00 ? 10 ILE A CG2 17 ATOM 22851 C CD1 . ILE A 1 10 ? -20.218 -0.767 0.622 1.00 0.00 ? 10 ILE A CD1 17 ATOM 22852 H H . ILE A 1 10 ? -18.408 -3.900 2.836 1.00 0.00 ? 10 ILE A H 17 ATOM 22853 H HA . ILE A 1 10 ? -16.906 -1.863 1.530 1.00 0.00 ? 10 ILE A HA 17 ATOM 22854 H HB . ILE A 1 10 ? -19.498 -2.119 2.589 1.00 0.00 ? 10 ILE A HB 17 ATOM 22855 H HG12 . ILE A 1 10 ? -18.963 0.561 1.683 1.00 0.00 ? 10 ILE A HG12 17 ATOM 22856 H HG13 . ILE A 1 10 ? -18.111 -0.609 0.678 1.00 0.00 ? 10 ILE A HG13 17 ATOM 22857 H HG21 . ILE A 1 10 ? -18.016 0.077 4.011 1.00 0.00 ? 10 ILE A HG21 17 ATOM 22858 H HG22 . ILE A 1 10 ? -19.767 0.068 3.799 1.00 0.00 ? 10 ILE A HG22 17 ATOM 22859 H HG23 . ILE A 1 10 ? -18.984 -1.220 4.715 1.00 0.00 ? 10 ILE A HG23 17 ATOM 22860 H HD11 . ILE A 1 10 ? -20.688 -1.641 1.051 1.00 0.00 ? 10 ILE A HD11 17 ATOM 22861 H HD12 . ILE A 1 10 ? -20.885 0.077 0.706 1.00 0.00 ? 10 ILE A HD12 17 ATOM 22862 H HD13 . ILE A 1 10 ? -19.998 -0.951 -0.419 1.00 0.00 ? 10 ILE A HD13 17 ATOM 22863 N N . SER A 1 11 ? -16.692 -2.069 4.825 1.00 0.00 ? 11 SER A N 17 ATOM 22864 C CA . SER A 1 11 ? -15.845 -1.732 5.963 1.00 0.00 ? 11 SER A CA 17 ATOM 22865 C C . SER A 1 11 ? -14.465 -2.361 5.812 1.00 0.00 ? 11 SER A C 17 ATOM 22866 O O . SER A 1 11 ? -13.480 -1.863 6.360 1.00 0.00 ? 11 SER A O 17 ATOM 22867 C CB . SER A 1 11 ? -16.495 -2.200 7.266 1.00 0.00 ? 11 SER A CB 17 ATOM 22868 O OG . SER A 1 11 ? -16.195 -1.316 8.332 1.00 0.00 ? 11 SER A OG 17 ATOM 22869 H H . SER A 1 11 ? -17.510 -2.590 4.973 1.00 0.00 ? 11 SER A H 17 ATOM 22870 H HA . SER A 1 11 ? -15.738 -0.658 5.989 1.00 0.00 ? 11 SER A HA 17 ATOM 22871 H HB2 . SER A 1 11 ? -17.566 -2.239 7.139 1.00 0.00 ? 11 SER A HB2 17 ATOM 22872 H HB3 . SER A 1 11 ? -16.126 -3.184 7.516 1.00 0.00 ? 11 SER A HB3 17 ATOM 22873 H HG . SER A 1 11 ? -15.974 -1.822 9.116 1.00 0.00 ? 11 SER A HG 17 ATOM 22874 N N . HIS A 1 12 ? -14.401 -3.459 5.066 1.00 0.00 ? 12 HIS A N 17 ATOM 22875 C CA . HIS A 1 12 ? -13.144 -4.155 4.842 1.00 0.00 ? 12 HIS A CA 17 ATOM 22876 C C . HIS A 1 12 ? -12.257 -3.356 3.882 1.00 0.00 ? 12 HIS A C 17 ATOM 22877 O O . HIS A 1 12 ? -11.078 -3.136 4.158 1.00 0.00 ? 12 HIS A O 17 ATOM 22878 C CB . HIS A 1 12 ? -13.428 -5.589 4.335 1.00 0.00 ? 12 HIS A CB 17 ATOM 22879 C CG . HIS A 1 12 ? -12.585 -6.056 3.181 1.00 0.00 ? 12 HIS A CG 17 ATOM 22880 N ND1 . HIS A 1 12 ? -11.368 -6.685 3.339 1.00 0.00 ? 12 HIS A ND1 17 ATOM 22881 C CD2 . HIS A 1 12 ? -12.799 -5.981 1.848 1.00 0.00 ? 12 HIS A CD2 17 ATOM 22882 C CE1 . HIS A 1 12 ? -10.868 -6.975 2.150 1.00 0.00 ? 12 HIS A CE1 17 ATOM 22883 N NE2 . HIS A 1 12 ? -11.718 -6.558 1.229 1.00 0.00 ? 12 HIS A NE2 17 ATOM 22884 H H . HIS A 1 12 ? -15.218 -3.807 4.653 1.00 0.00 ? 12 HIS A H 17 ATOM 22885 H HA . HIS A 1 12 ? -12.637 -4.217 5.794 1.00 0.00 ? 12 HIS A HA 17 ATOM 22886 H HB2 . HIS A 1 12 ? -13.269 -6.280 5.148 1.00 0.00 ? 12 HIS A HB2 17 ATOM 22887 H HB3 . HIS A 1 12 ? -14.464 -5.646 4.030 1.00 0.00 ? 12 HIS A HB3 17 ATOM 22888 H HD1 . HIS A 1 12 ? -10.934 -6.888 4.194 1.00 0.00 ? 12 HIS A HD1 17 ATOM 22889 H HD2 . HIS A 1 12 ? -13.661 -5.545 1.363 1.00 0.00 ? 12 HIS A HD2 17 ATOM 22890 H HE1 . HIS A 1 12 ? -9.927 -7.469 1.963 1.00 0.00 ? 12 HIS A HE1 17 ATOM 22891 H HE2 . HIS A 1 12 ? -11.594 -6.648 0.262 1.00 0.00 ? 12 HIS A HE2 17 ATOM 22892 N N . HIS A 1 13 ? -12.828 -2.915 2.764 1.00 0.00 ? 13 HIS A N 17 ATOM 22893 C CA . HIS A 1 13 ? -12.069 -2.138 1.795 1.00 0.00 ? 13 HIS A CA 17 ATOM 22894 C C . HIS A 1 13 ? -11.540 -0.867 2.439 1.00 0.00 ? 13 HIS A C 17 ATOM 22895 O O . HIS A 1 13 ? -10.487 -0.366 2.059 1.00 0.00 ? 13 HIS A O 17 ATOM 22896 C CB . HIS A 1 13 ? -12.929 -1.767 0.592 1.00 0.00 ? 13 HIS A CB 17 ATOM 22897 C CG . HIS A 1 13 ? -13.466 -2.934 -0.165 1.00 0.00 ? 13 HIS A CG 17 ATOM 22898 N ND1 . HIS A 1 13 ? -12.825 -4.151 -0.249 1.00 0.00 ? 13 HIS A ND1 17 ATOM 22899 C CD2 . HIS A 1 13 ? -14.597 -3.053 -0.889 1.00 0.00 ? 13 HIS A CD2 17 ATOM 22900 C CE1 . HIS A 1 13 ? -13.544 -4.972 -0.997 1.00 0.00 ? 13 HIS A CE1 17 ATOM 22901 N NE2 . HIS A 1 13 ? -14.625 -4.327 -1.396 1.00 0.00 ? 13 HIS A NE2 17 ATOM 22902 H H . HIS A 1 13 ? -13.776 -3.110 2.592 1.00 0.00 ? 13 HIS A H 17 ATOM 22903 H HA . HIS A 1 13 ? -11.235 -2.739 1.463 1.00 0.00 ? 13 HIS A HA 17 ATOM 22904 H HB2 . HIS A 1 13 ? -13.769 -1.185 0.931 1.00 0.00 ? 13 HIS A HB2 17 ATOM 22905 H HB3 . HIS A 1 13 ? -12.340 -1.171 -0.090 1.00 0.00 ? 13 HIS A HB3 17 ATOM 22906 H HD1 . HIS A 1 13 ? -11.971 -4.381 0.175 1.00 0.00 ? 13 HIS A HD1 17 ATOM 22907 H HD2 . HIS A 1 13 ? -15.338 -2.281 -1.038 1.00 0.00 ? 13 HIS A HD2 17 ATOM 22908 H HE1 . HIS A 1 13 ? -13.291 -5.994 -1.237 1.00 0.00 ? 13 HIS A HE1 17 ATOM 22909 H HE2 . HIS A 1 13 ? -15.332 -4.702 -1.963 1.00 0.00 ? 13 HIS A HE2 17 ATOM 22910 N N . ALA A 1 14 ? -12.284 -0.348 3.411 1.00 0.00 ? 14 ALA A N 17 ATOM 22911 C CA . ALA A 1 14 ? -11.890 0.870 4.106 1.00 0.00 ? 14 ALA A CA 17 ATOM 22912 C C . ALA A 1 14 ? -10.602 0.646 4.881 1.00 0.00 ? 14 ALA A C 17 ATOM 22913 O O . ALA A 1 14 ? -9.616 1.354 4.682 1.00 0.00 ? 14 ALA A O 17 ATOM 22914 C CB . ALA A 1 14 ? -12.999 1.334 5.038 1.00 0.00 ? 14 ALA A CB 17 ATOM 22915 H H . ALA A 1 14 ? -13.118 -0.795 3.665 1.00 0.00 ? 14 ALA A H 17 ATOM 22916 H HA . ALA A 1 14 ? -11.724 1.640 3.365 1.00 0.00 ? 14 ALA A HA 17 ATOM 22917 H HB1 . ALA A 1 14 ? -12.686 1.205 6.064 1.00 0.00 ? 14 ALA A HB1 17 ATOM 22918 H HB2 . ALA A 1 14 ? -13.890 0.749 4.858 1.00 0.00 ? 14 ALA A HB2 17 ATOM 22919 H HB3 . ALA A 1 14 ? -13.212 2.377 4.855 1.00 0.00 ? 14 ALA A HB3 17 ATOM 22920 N N . LYS A 1 15 ? -10.609 -0.355 5.751 1.00 0.00 ? 15 LYS A N 17 ATOM 22921 C CA . LYS A 1 15 ? -9.427 -0.679 6.534 1.00 0.00 ? 15 LYS A CA 17 ATOM 22922 C C . LYS A 1 15 ? -8.290 -1.133 5.620 1.00 0.00 ? 15 LYS A C 17 ATOM 22923 O O . LYS A 1 15 ? -7.132 -1.180 6.034 1.00 0.00 ? 15 LYS A O 17 ATOM 22924 C CB . LYS A 1 15 ? -9.746 -1.772 7.557 1.00 0.00 ? 15 LYS A CB 17 ATOM 22925 C CG . LYS A 1 15 ? -9.646 -1.302 8.999 1.00 0.00 ? 15 LYS A CG 17 ATOM 22926 C CD . LYS A 1 15 ? -10.397 -2.230 9.941 1.00 0.00 ? 15 LYS A CD 17 ATOM 22927 C CE . LYS A 1 15 ? -11.890 -1.946 9.929 1.00 0.00 ? 15 LYS A CE 17 ATOM 22928 N NZ . LYS A 1 15 ? -12.693 -3.199 9.868 1.00 0.00 ? 15 LYS A NZ 17 ATOM 22929 H H . LYS A 1 15 ? -11.421 -0.898 5.858 1.00 0.00 ? 15 LYS A H 17 ATOM 22930 H HA . LYS A 1 15 ? -9.118 0.215 7.055 1.00 0.00 ? 15 LYS A HA 17 ATOM 22931 H HB2 . LYS A 1 15 ? -10.750 -2.127 7.385 1.00 0.00 ? 15 LYS A HB2 17 ATOM 22932 H HB3 . LYS A 1 15 ? -9.054 -2.590 7.419 1.00 0.00 ? 15 LYS A HB3 17 ATOM 22933 H HG2 . LYS A 1 15 ? -8.605 -1.277 9.288 1.00 0.00 ? 15 LYS A HG2 17 ATOM 22934 H HG3 . LYS A 1 15 ? -10.066 -0.310 9.075 1.00 0.00 ? 15 LYS A HG3 17 ATOM 22935 H HD2 . LYS A 1 15 ? -10.233 -3.251 9.630 1.00 0.00 ? 15 LYS A HD2 17 ATOM 22936 H HD3 . LYS A 1 15 ? -10.019 -2.092 10.944 1.00 0.00 ? 15 LYS A HD3 17 ATOM 22937 H HE2 . LYS A 1 15 ? -12.147 -1.408 10.829 1.00 0.00 ? 15 LYS A HE2 17 ATOM 22938 H HE3 . LYS A 1 15 ? -12.121 -1.337 9.068 1.00 0.00 ? 15 LYS A HE3 17 ATOM 22939 H HZ1 . LYS A 1 15 ? -12.462 -3.812 10.675 1.00 0.00 ? 15 LYS A HZ1 17 ATOM 22940 H HZ2 . LYS A 1 15 ? -13.708 -2.974 9.898 1.00 0.00 ? 15 LYS A HZ2 17 ATOM 22941 H HZ3 . LYS A 1 15 ? -12.489 -3.711 8.987 1.00 0.00 ? 15 LYS A HZ3 17 ATOM 22942 N N . GLU A 1 16 ? -8.627 -1.465 4.373 1.00 0.00 ? 16 GLU A N 17 ATOM 22943 C CA . GLU A 1 16 ? -7.634 -1.911 3.407 1.00 0.00 ? 16 GLU A CA 17 ATOM 22944 C C . GLU A 1 16 ? -6.954 -0.723 2.735 1.00 0.00 ? 16 GLU A C 17 ATOM 22945 O O . GLU A 1 16 ? -5.773 -0.791 2.398 1.00 0.00 ? 16 GLU A O 17 ATOM 22946 C CB . GLU A 1 16 ? -8.283 -2.807 2.352 1.00 0.00 ? 16 GLU A CB 17 ATOM 22947 C CG . GLU A 1 16 ? -8.822 -4.113 2.911 1.00 0.00 ? 16 GLU A CG 17 ATOM 22948 C CD . GLU A 1 16 ? -7.953 -5.304 2.552 1.00 0.00 ? 16 GLU A CD 17 ATOM 22949 O OE1 . GLU A 1 16 ? -7.168 -5.196 1.586 1.00 0.00 ? 16 GLU A OE1 17 ATOM 22950 O OE2 . GLU A 1 16 ? -8.059 -6.343 3.235 1.00 0.00 ? 16 GLU A OE2 17 ATOM 22951 H H . GLU A 1 16 ? -9.563 -1.411 4.095 1.00 0.00 ? 16 GLU A H 17 ATOM 22952 H HA . GLU A 1 16 ? -6.887 -2.479 3.940 1.00 0.00 ? 16 GLU A HA 17 ATOM 22953 H HB2 . GLU A 1 16 ? -9.102 -2.270 1.895 1.00 0.00 ? 16 GLU A HB2 17 ATOM 22954 H HB3 . GLU A 1 16 ? -7.550 -3.040 1.594 1.00 0.00 ? 16 GLU A HB3 17 ATOM 22955 H HG2 . GLU A 1 16 ? -8.872 -4.036 3.986 1.00 0.00 ? 16 GLU A HG2 17 ATOM 22956 H HG3 . GLU A 1 16 ? -9.814 -4.278 2.515 1.00 0.00 ? 16 GLU A HG3 17 ATOM 22957 N N . ILE A 1 17 ? -7.696 0.366 2.542 1.00 0.00 ? 17 ILE A N 17 ATOM 22958 C CA . ILE A 1 17 ? -7.133 1.553 1.911 1.00 0.00 ? 17 ILE A CA 17 ATOM 22959 C C . ILE A 1 17 ? -6.252 2.318 2.902 1.00 0.00 ? 17 ILE A C 17 ATOM 22960 O O . ILE A 1 17 ? -5.206 2.855 2.536 1.00 0.00 ? 17 ILE A O 17 ATOM 22961 C CB . ILE A 1 17 ? -8.242 2.475 1.333 1.00 0.00 ? 17 ILE A CB 17 ATOM 22962 C CG1 . ILE A 1 17 ? -8.830 3.408 2.402 1.00 0.00 ? 17 ILE A CG1 17 ATOM 22963 C CG2 . ILE A 1 17 ? -9.349 1.635 0.716 1.00 0.00 ? 17 ILE A CG2 17 ATOM 22964 C CD1 . ILE A 1 17 ? -8.068 4.707 2.555 1.00 0.00 ? 17 ILE A CD1 17 ATOM 22965 H H . ILE A 1 17 ? -8.638 0.374 2.829 1.00 0.00 ? 17 ILE A H 17 ATOM 22966 H HA . ILE A 1 17 ? -6.509 1.224 1.091 1.00 0.00 ? 17 ILE A HA 17 ATOM 22967 H HB . ILE A 1 17 ? -7.805 3.069 0.544 1.00 0.00 ? 17 ILE A HB 17 ATOM 22968 H HG12 . ILE A 1 17 ? -9.848 3.651 2.139 1.00 0.00 ? 17 ILE A HG12 17 ATOM 22969 H HG13 . ILE A 1 17 ? -8.820 2.902 3.356 1.00 0.00 ? 17 ILE A HG13 17 ATOM 22970 H HG21 . ILE A 1 17 ? -9.024 0.610 0.637 1.00 0.00 ? 17 ILE A HG21 17 ATOM 22971 H HG22 . ILE A 1 17 ? -10.228 1.684 1.341 1.00 0.00 ? 17 ILE A HG22 17 ATOM 22972 H HG23 . ILE A 1 17 ? -9.586 2.015 -0.265 1.00 0.00 ? 17 ILE A HG23 17 ATOM 22973 H HD11 . ILE A 1 17 ? -7.179 4.676 1.943 1.00 0.00 ? 17 ILE A HD11 17 ATOM 22974 H HD12 . ILE A 1 17 ? -8.693 5.529 2.241 1.00 0.00 ? 17 ILE A HD12 17 ATOM 22975 H HD13 . ILE A 1 17 ? -7.788 4.840 3.590 1.00 0.00 ? 17 ILE A HD13 17 ATOM 22976 N N . GLU A 1 18 ? -6.682 2.346 4.161 1.00 0.00 ? 18 GLU A N 17 ATOM 22977 C CA . GLU A 1 18 ? -5.933 3.027 5.207 1.00 0.00 ? 18 GLU A CA 17 ATOM 22978 C C . GLU A 1 18 ? -4.750 2.178 5.653 1.00 0.00 ? 18 GLU A C 17 ATOM 22979 O O . GLU A 1 18 ? -3.662 2.694 5.914 1.00 0.00 ? 18 GLU A O 17 ATOM 22980 C CB . GLU A 1 18 ? -6.840 3.332 6.401 1.00 0.00 ? 18 GLU A CB 17 ATOM 22981 C CG . GLU A 1 18 ? -6.369 4.509 7.239 1.00 0.00 ? 18 GLU A CG 17 ATOM 22982 C CD . GLU A 1 18 ? -7.382 4.917 8.291 1.00 0.00 ? 18 GLU A CD 17 ATOM 22983 O OE1 . GLU A 1 18 ? -8.494 5.340 7.913 1.00 0.00 ? 18 GLU A OE1 17 ATOM 22984 O OE2 . GLU A 1 18 ? -7.062 4.813 9.494 1.00 0.00 ? 18 GLU A OE2 17 ATOM 22985 H H . GLU A 1 18 ? -7.518 1.888 4.393 1.00 0.00 ? 18 GLU A H 17 ATOM 22986 H HA . GLU A 1 18 ? -5.562 3.956 4.800 1.00 0.00 ? 18 GLU A HA 17 ATOM 22987 H HB2 . GLU A 1 18 ? -7.833 3.550 6.037 1.00 0.00 ? 18 GLU A HB2 17 ATOM 22988 H HB3 . GLU A 1 18 ? -6.883 2.460 7.037 1.00 0.00 ? 18 GLU A HB3 17 ATOM 22989 H HG2 . GLU A 1 18 ? -5.449 4.238 7.733 1.00 0.00 ? 18 GLU A HG2 17 ATOM 22990 H HG3 . GLU A 1 18 ? -6.192 5.352 6.586 1.00 0.00 ? 18 GLU A HG3 17 ATOM 22991 N N . ARG A 1 19 ? -4.967 0.868 5.731 1.00 0.00 ? 19 ARG A N 17 ATOM 22992 C CA . ARG A 1 19 ? -3.915 -0.053 6.135 1.00 0.00 ? 19 ARG A CA 17 ATOM 22993 C C . ARG A 1 19 ? -2.896 -0.216 5.016 1.00 0.00 ? 19 ARG A C 17 ATOM 22994 O O . ARG A 1 19 ? -1.722 -0.494 5.264 1.00 0.00 ? 19 ARG A O 17 ATOM 22995 C CB . ARG A 1 19 ? -4.507 -1.413 6.508 1.00 0.00 ? 19 ARG A CB 17 ATOM 22996 C CG . ARG A 1 19 ? -3.494 -2.374 7.109 1.00 0.00 ? 19 ARG A CG 17 ATOM 22997 C CD . ARG A 1 19 ? -3.880 -3.822 6.855 1.00 0.00 ? 19 ARG A CD 17 ATOM 22998 N NE . ARG A 1 19 ? -2.711 -4.675 6.664 1.00 0.00 ? 19 ARG A NE 17 ATOM 22999 C CZ . ARG A 1 19 ? -2.781 -5.981 6.434 1.00 0.00 ? 19 ARG A CZ 17 ATOM 23000 N NH1 . ARG A 1 19 ? -3.963 -6.582 6.369 1.00 0.00 ? 19 ARG A NH1 17 ATOM 23001 N NH2 . ARG A 1 19 ? -1.673 -6.690 6.270 1.00 0.00 ? 19 ARG A NH2 17 ATOM 23002 H H . ARG A 1 19 ? -5.853 0.513 5.503 1.00 0.00 ? 19 ARG A H 17 ATOM 23003 H HA . ARG A 1 19 ? -3.419 0.366 6.998 1.00 0.00 ? 19 ARG A HA 17 ATOM 23004 H HB2 . ARG A 1 19 ? -5.298 -1.263 7.228 1.00 0.00 ? 19 ARG A HB2 17 ATOM 23005 H HB3 . ARG A 1 19 ? -4.921 -1.869 5.620 1.00 0.00 ? 19 ARG A HB3 17 ATOM 23006 H HG2 . ARG A 1 19 ? -2.528 -2.186 6.666 1.00 0.00 ? 19 ARG A HG2 17 ATOM 23007 H HG3 . ARG A 1 19 ? -3.441 -2.206 8.175 1.00 0.00 ? 19 ARG A HG3 17 ATOM 23008 H HD2 . ARG A 1 19 ? -4.443 -4.185 7.702 1.00 0.00 ? 19 ARG A HD2 17 ATOM 23009 H HD3 . ARG A 1 19 ? -4.496 -3.867 5.969 1.00 0.00 ? 19 ARG A HD3 17 ATOM 23010 H HE . ARG A 1 19 ? -1.827 -4.251 6.708 1.00 0.00 ? 19 ARG A HE 17 ATOM 23011 H HH11 . ARG A 1 19 ? -4.801 -6.051 6.493 1.00 0.00 ? 19 ARG A HH11 17 ATOM 23012 H HH12 . ARG A 1 19 ? -4.014 -7.566 6.197 1.00 0.00 ? 19 ARG A HH12 17 ATOM 23013 H HH21 . ARG A 1 19 ? -0.781 -6.240 6.318 1.00 0.00 ? 19 ARG A HH21 17 ATOM 23014 H HH22 . ARG A 1 19 ? -1.729 -7.673 6.098 1.00 0.00 ? 19 ARG A HH22 17 ATOM 23015 N N . LEU A 1 20 ? -3.350 -0.025 3.781 1.00 0.00 ? 20 LEU A N 17 ATOM 23016 C CA . LEU A 1 20 ? -2.474 -0.137 2.625 1.00 0.00 ? 20 LEU A CA 17 ATOM 23017 C C . LEU A 1 20 ? -1.516 1.044 2.581 1.00 0.00 ? 20 LEU A C 17 ATOM 23018 O O . LEU A 1 20 ? -0.326 0.882 2.315 1.00 0.00 ? 20 LEU A O 17 ATOM 23019 C CB . LEU A 1 20 ? -3.293 -0.199 1.334 1.00 0.00 ? 20 LEU A CB 17 ATOM 23020 C CG . LEU A 1 20 ? -3.711 -1.604 0.900 1.00 0.00 ? 20 LEU A CG 17 ATOM 23021 C CD1 . LEU A 1 20 ? -4.878 -1.536 -0.074 1.00 0.00 ? 20 LEU A CD1 17 ATOM 23022 C CD2 . LEU A 1 20 ? -2.535 -2.339 0.275 1.00 0.00 ? 20 LEU A CD2 17 ATOM 23023 H H . LEU A 1 20 ? -4.292 0.206 3.645 1.00 0.00 ? 20 LEU A H 17 ATOM 23024 H HA . LEU A 1 20 ? -1.903 -1.048 2.727 1.00 0.00 ? 20 LEU A HA 17 ATOM 23025 H HB2 . LEU A 1 20 ? -4.185 0.395 1.472 1.00 0.00 ? 20 LEU A HB2 17 ATOM 23026 H HB3 . LEU A 1 20 ? -2.707 0.239 0.541 1.00 0.00 ? 20 LEU A HB3 17 ATOM 23027 H HG . LEU A 1 20 ? -4.032 -2.161 1.767 1.00 0.00 ? 20 LEU A HG 17 ATOM 23028 H HD11 . LEU A 1 20 ? -5.130 -0.503 -0.262 1.00 0.00 ? 20 LEU A HD11 17 ATOM 23029 H HD12 . LEU A 1 20 ? -4.600 -2.013 -1.002 1.00 0.00 ? 20 LEU A HD12 17 ATOM 23030 H HD13 . LEU A 1 20 ? -5.731 -2.045 0.351 1.00 0.00 ? 20 LEU A HD13 17 ATOM 23031 H HD21 . LEU A 1 20 ? -1.844 -1.623 -0.143 1.00 0.00 ? 20 LEU A HD21 17 ATOM 23032 H HD22 . LEU A 1 20 ? -2.032 -2.924 1.032 1.00 0.00 ? 20 LEU A HD22 17 ATOM 23033 H HD23 . LEU A 1 20 ? -2.892 -2.994 -0.506 1.00 0.00 ? 20 LEU A HD23 17 ATOM 23034 N N . GLN A 1 21 ? -2.047 2.234 2.849 1.00 0.00 ? 21 GLN A N 17 ATOM 23035 C CA . GLN A 1 21 ? -1.240 3.447 2.847 1.00 0.00 ? 21 GLN A CA 17 ATOM 23036 C C . GLN A 1 21 ? -0.136 3.364 3.895 1.00 0.00 ? 21 GLN A C 17 ATOM 23037 O O . GLN A 1 21 ? 1.024 3.669 3.616 1.00 0.00 ? 21 GLN A O 17 ATOM 23038 C CB . GLN A 1 21 ? -2.119 4.671 3.111 1.00 0.00 ? 21 GLN A CB 17 ATOM 23039 C CG . GLN A 1 21 ? -1.356 5.985 3.094 1.00 0.00 ? 21 GLN A CG 17 ATOM 23040 C CD . GLN A 1 21 ? -2.216 7.154 2.656 1.00 0.00 ? 21 GLN A CD 17 ATOM 23041 O OE1 . GLN A 1 21 ? -2.035 7.698 1.567 1.00 0.00 ? 21 GLN A OE1 17 ATOM 23042 N NE2 . GLN A 1 21 ? -3.158 7.547 3.505 1.00 0.00 ? 21 GLN A NE2 17 ATOM 23043 H H . GLN A 1 21 ? -3.004 2.296 3.058 1.00 0.00 ? 21 GLN A H 17 ATOM 23044 H HA . GLN A 1 21 ? -0.788 3.544 1.871 1.00 0.00 ? 21 GLN A HA 17 ATOM 23045 H HB2 . GLN A 1 21 ? -2.889 4.717 2.355 1.00 0.00 ? 21 GLN A HB2 17 ATOM 23046 H HB3 . GLN A 1 21 ? -2.586 4.563 4.080 1.00 0.00 ? 21 GLN A HB3 17 ATOM 23047 H HG2 . GLN A 1 21 ? -0.986 6.184 4.089 1.00 0.00 ? 21 GLN A HG2 17 ATOM 23048 H HG3 . GLN A 1 21 ? -0.522 5.893 2.413 1.00 0.00 ? 21 GLN A HG3 17 ATOM 23049 H HE21 . GLN A 1 21 ? -3.245 7.067 4.355 1.00 0.00 ? 21 GLN A HE21 17 ATOM 23050 H HE22 . GLN A 1 21 ? -3.730 8.300 3.247 1.00 0.00 ? 21 GLN A HE22 17 ATOM 23051 N N . LYS A 1 22 ? -0.501 2.944 5.103 1.00 0.00 ? 22 LYS A N 17 ATOM 23052 C CA . LYS A 1 22 ? 0.464 2.818 6.188 1.00 0.00 ? 22 LYS A CA 17 ATOM 23053 C C . LYS A 1 22 ? 1.533 1.787 5.841 1.00 0.00 ? 22 LYS A C 17 ATOM 23054 O O . LYS A 1 22 ? 2.692 1.921 6.234 1.00 0.00 ? 22 LYS A O 17 ATOM 23055 C CB . LYS A 1 22 ? -0.242 2.421 7.486 1.00 0.00 ? 22 LYS A CB 17 ATOM 23056 C CG . LYS A 1 22 ? 0.564 2.735 8.736 1.00 0.00 ? 22 LYS A CG 17 ATOM 23057 C CD . LYS A 1 22 ? 0.391 1.657 9.795 1.00 0.00 ? 22 LYS A CD 17 ATOM 23058 C CE . LYS A 1 22 ? 0.994 0.336 9.346 1.00 0.00 ? 22 LYS A CE 17 ATOM 23059 N NZ . LYS A 1 22 ? 2.080 -0.118 10.258 1.00 0.00 ? 22 LYS A NZ 17 ATOM 23060 H H . LYS A 1 22 ? -1.441 2.711 5.267 1.00 0.00 ? 22 LYS A H 17 ATOM 23061 H HA . LYS A 1 22 ? 0.938 3.779 6.324 1.00 0.00 ? 22 LYS A HA 17 ATOM 23062 H HB2 . LYS A 1 22 ? -1.182 2.949 7.547 1.00 0.00 ? 22 LYS A HB2 17 ATOM 23063 H HB3 . LYS A 1 22 ? -0.436 1.359 7.466 1.00 0.00 ? 22 LYS A HB3 17 ATOM 23064 H HG2 . LYS A 1 22 ? 1.608 2.803 8.473 1.00 0.00 ? 22 LYS A HG2 17 ATOM 23065 H HG3 . LYS A 1 22 ? 0.230 3.680 9.140 1.00 0.00 ? 22 LYS A HG3 17 ATOM 23066 H HD2 . LYS A 1 22 ? 0.883 1.975 10.702 1.00 0.00 ? 22 LYS A HD2 17 ATOM 23067 H HD3 . LYS A 1 22 ? -0.663 1.517 9.984 1.00 0.00 ? 22 LYS A HD3 17 ATOM 23068 H HE2 . LYS A 1 22 ? 0.215 -0.413 9.328 1.00 0.00 ? 22 LYS A HE2 17 ATOM 23069 H HE3 . LYS A 1 22 ? 1.396 0.457 8.351 1.00 0.00 ? 22 LYS A HE3 17 ATOM 23070 H HZ1 . LYS A 1 22 ? 2.786 0.636 10.376 1.00 0.00 ? 22 LYS A HZ1 17 ATOM 23071 H HZ2 . LYS A 1 22 ? 1.686 -0.361 11.190 1.00 0.00 ? 22 LYS A HZ2 17 ATOM 23072 H HZ3 . LYS A 1 22 ? 2.550 -0.959 9.864 1.00 0.00 ? 22 LYS A HZ3 17 ATOM 23073 N N . GLU A 1 23 ? 1.134 0.760 5.099 1.00 0.00 ? 23 GLU A N 17 ATOM 23074 C CA . GLU A 1 23 ? 2.055 -0.297 4.696 1.00 0.00 ? 23 GLU A CA 17 ATOM 23075 C C . GLU A 1 23 ? 3.085 0.227 3.701 1.00 0.00 ? 23 GLU A C 17 ATOM 23076 O O . GLU A 1 23 ? 4.250 -0.177 3.730 1.00 0.00 ? 23 GLU A O 17 ATOM 23077 C CB . GLU A 1 23 ? 1.284 -1.466 4.082 1.00 0.00 ? 23 GLU A CB 17 ATOM 23078 C CG . GLU A 1 23 ? 2.107 -2.736 3.951 1.00 0.00 ? 23 GLU A CG 17 ATOM 23079 C CD . GLU A 1 23 ? 1.249 -3.971 3.758 1.00 0.00 ? 23 GLU A CD 17 ATOM 23080 O OE1 . GLU A 1 23 ? 0.457 -4.291 4.670 1.00 0.00 ? 23 GLU A OE1 17 ATOM 23081 O OE2 . GLU A 1 23 ? 1.368 -4.617 2.697 1.00 0.00 ? 23 GLU A OE2 17 ATOM 23082 H H . GLU A 1 23 ? 0.196 0.710 4.817 1.00 0.00 ? 23 GLU A H 17 ATOM 23083 H HA . GLU A 1 23 ? 2.568 -0.642 5.580 1.00 0.00 ? 23 GLU A HA 17 ATOM 23084 H HB2 . GLU A 1 23 ? 0.425 -1.682 4.700 1.00 0.00 ? 23 GLU A HB2 17 ATOM 23085 H HB3 . GLU A 1 23 ? 0.943 -1.181 3.097 1.00 0.00 ? 23 GLU A HB3 17 ATOM 23086 H HG2 . GLU A 1 23 ? 2.765 -2.638 3.100 1.00 0.00 ? 23 GLU A HG2 17 ATOM 23087 H HG3 . GLU A 1 23 ? 2.696 -2.861 4.848 1.00 0.00 ? 23 GLU A HG3 17 ATOM 23088 N N . ILE A 1 24 ? 2.656 1.128 2.823 1.00 0.00 ? 24 ILE A N 17 ATOM 23089 C CA . ILE A 1 24 ? 3.556 1.697 1.826 1.00 0.00 ? 24 ILE A CA 17 ATOM 23090 C C . ILE A 1 24 ? 4.647 2.523 2.511 1.00 0.00 ? 24 ILE A C 17 ATOM 23091 O O . ILE A 1 24 ? 5.817 2.470 2.129 1.00 0.00 ? 24 ILE A O 17 ATOM 23092 C CB . ILE A 1 24 ? 2.797 2.547 0.754 1.00 0.00 ? 24 ILE A CB 17 ATOM 23093 C CG1 . ILE A 1 24 ? 2.732 4.037 1.121 1.00 0.00 ? 24 ILE A CG1 17 ATOM 23094 C CG2 . ILE A 1 24 ? 1.390 2.008 0.535 1.00 0.00 ? 24 ILE A CG2 17 ATOM 23095 C CD1 . ILE A 1 24 ? 3.978 4.801 0.727 1.00 0.00 ? 24 ILE A CD1 17 ATOM 23096 H H . ILE A 1 24 ? 1.720 1.415 2.849 1.00 0.00 ? 24 ILE A H 17 ATOM 23097 H HA . ILE A 1 24 ? 4.032 0.869 1.316 1.00 0.00 ? 24 ILE A HA 17 ATOM 23098 H HB . ILE A 1 24 ? 3.331 2.443 -0.180 1.00 0.00 ? 24 ILE A HB 17 ATOM 23099 H HG12 . ILE A 1 24 ? 1.892 4.490 0.617 1.00 0.00 ? 24 ILE A HG12 17 ATOM 23100 H HG13 . ILE A 1 24 ? 2.605 4.135 2.188 1.00 0.00 ? 24 ILE A HG13 17 ATOM 23101 H HG21 . ILE A 1 24 ? 1.384 0.939 0.682 1.00 0.00 ? 24 ILE A HG21 17 ATOM 23102 H HG22 . ILE A 1 24 ? 0.716 2.470 1.240 1.00 0.00 ? 24 ILE A HG22 17 ATOM 23103 H HG23 . ILE A 1 24 ? 1.070 2.235 -0.469 1.00 0.00 ? 24 ILE A HG23 17 ATOM 23104 H HD11 . ILE A 1 24 ? 4.688 4.123 0.273 1.00 0.00 ? 24 ILE A HD11 17 ATOM 23105 H HD12 . ILE A 1 24 ? 3.717 5.576 0.021 1.00 0.00 ? 24 ILE A HD12 17 ATOM 23106 H HD13 . ILE A 1 24 ? 4.419 5.248 1.605 1.00 0.00 ? 24 ILE A HD13 17 ATOM 23107 N N . GLU A 1 25 ? 4.248 3.280 3.529 1.00 0.00 ? 25 GLU A N 17 ATOM 23108 C CA . GLU A 1 25 ? 5.183 4.111 4.277 1.00 0.00 ? 25 GLU A CA 17 ATOM 23109 C C . GLU A 1 25 ? 6.251 3.246 4.934 1.00 0.00 ? 25 GLU A C 17 ATOM 23110 O O . GLU A 1 25 ? 7.433 3.589 4.928 1.00 0.00 ? 25 GLU A O 17 ATOM 23111 C CB . GLU A 1 25 ? 4.441 4.925 5.339 1.00 0.00 ? 25 GLU A CB 17 ATOM 23112 C CG . GLU A 1 25 ? 5.305 5.980 6.011 1.00 0.00 ? 25 GLU A CG 17 ATOM 23113 C CD . GLU A 1 25 ? 4.491 7.129 6.572 1.00 0.00 ? 25 GLU A CD 17 ATOM 23114 O OE1 . GLU A 1 25 ? 4.141 8.044 5.797 1.00 0.00 ? 25 GLU A OE1 17 ATOM 23115 O OE2 . GLU A 1 25 ? 4.203 7.114 7.787 1.00 0.00 ? 25 GLU A OE2 17 ATOM 23116 H H . GLU A 1 25 ? 3.302 3.274 3.788 1.00 0.00 ? 25 GLU A H 17 ATOM 23117 H HA . GLU A 1 25 ? 5.658 4.787 3.581 1.00 0.00 ? 25 GLU A HA 17 ATOM 23118 H HB2 . GLU A 1 25 ? 3.601 5.422 4.873 1.00 0.00 ? 25 GLU A HB2 17 ATOM 23119 H HB3 . GLU A 1 25 ? 4.073 4.253 6.099 1.00 0.00 ? 25 GLU A HB3 17 ATOM 23120 H HG2 . GLU A 1 25 ? 5.851 5.518 6.819 1.00 0.00 ? 25 GLU A HG2 17 ATOM 23121 H HG3 . GLU A 1 25 ? 6.001 6.373 5.283 1.00 0.00 ? 25 GLU A HG3 17 ATOM 23122 N N . ARG A 1 26 ? 5.825 2.118 5.493 1.00 0.00 ? 26 ARG A N 17 ATOM 23123 C CA . ARG A 1 26 ? 6.746 1.197 6.145 1.00 0.00 ? 26 ARG A CA 17 ATOM 23124 C C . ARG A 1 26 ? 7.812 0.732 5.161 1.00 0.00 ? 26 ARG A C 17 ATOM 23125 O O . ARG A 1 26 ? 8.990 0.615 5.510 1.00 0.00 ? 26 ARG A O 17 ATOM 23126 C CB . ARG A 1 26 ? 5.989 -0.008 6.707 1.00 0.00 ? 26 ARG A CB 17 ATOM 23127 C CG . ARG A 1 26 ? 6.590 -0.560 7.989 1.00 0.00 ? 26 ARG A CG 17 ATOM 23128 C CD . ARG A 1 26 ? 6.750 0.525 9.042 1.00 0.00 ? 26 ARG A CD 17 ATOM 23129 N NE . ARG A 1 26 ? 6.953 -0.034 10.375 1.00 0.00 ? 26 ARG A NE 17 ATOM 23130 C CZ . ARG A 1 26 ? 8.109 -0.536 10.796 1.00 0.00 ? 26 ARG A CZ 17 ATOM 23131 N NH1 . ARG A 1 26 ? 9.162 -0.547 9.989 1.00 0.00 ? 26 ARG A NH1 17 ATOM 23132 N NH2 . ARG A 1 26 ? 8.214 -1.026 12.023 1.00 0.00 ? 26 ARG A NH2 17 ATOM 23133 H H . ARG A 1 26 ? 4.870 1.896 5.460 1.00 0.00 ? 26 ARG A H 17 ATOM 23134 H HA . ARG A 1 26 ? 7.225 1.724 6.957 1.00 0.00 ? 26 ARG A HA 17 ATOM 23135 H HB2 . ARG A 1 26 ? 4.969 0.285 6.910 1.00 0.00 ? 26 ARG A HB2 17 ATOM 23136 H HB3 . ARG A 1 26 ? 5.988 -0.794 5.967 1.00 0.00 ? 26 ARG A HB3 17 ATOM 23137 H HG2 . ARG A 1 26 ? 5.941 -1.331 8.377 1.00 0.00 ? 26 ARG A HG2 17 ATOM 23138 H HG3 . ARG A 1 26 ? 7.560 -0.981 7.768 1.00 0.00 ? 26 ARG A HG3 17 ATOM 23139 H HD2 . ARG A 1 26 ? 7.603 1.135 8.785 1.00 0.00 ? 26 ARG A HD2 17 ATOM 23140 H HD3 . ARG A 1 26 ? 5.860 1.136 9.048 1.00 0.00 ? 26 ARG A HD3 17 ATOM 23141 H HE . ARG A 1 26 ? 6.188 -0.035 10.988 1.00 0.00 ? 26 ARG A HE 17 ATOM 23142 H HH11 . ARG A 1 26 ? 9.086 -0.178 9.063 1.00 0.00 ? 26 ARG A HH11 17 ATOM 23143 H HH12 . ARG A 1 26 ? 10.031 -0.925 10.307 1.00 0.00 ? 26 ARG A HH12 17 ATOM 23144 H HH21 . ARG A 1 26 ? 7.423 -1.019 12.635 1.00 0.00 ? 26 ARG A HH21 17 ATOM 23145 H HH22 . ARG A 1 26 ? 9.085 -1.404 12.338 1.00 0.00 ? 26 ARG A HH22 17 ATOM 23146 N N . HIS A 1 27 ? 7.396 0.481 3.922 1.00 0.00 ? 27 HIS A N 17 ATOM 23147 C CA . HIS A 1 27 ? 8.320 0.045 2.890 1.00 0.00 ? 27 HIS A CA 17 ATOM 23148 C C . HIS A 1 27 ? 9.280 1.174 2.542 1.00 0.00 ? 27 HIS A C 17 ATOM 23149 O O . HIS A 1 27 ? 10.409 0.934 2.116 1.00 0.00 ? 27 HIS A O 17 ATOM 23150 C CB . HIS A 1 27 ? 7.555 -0.399 1.642 1.00 0.00 ? 27 HIS A CB 17 ATOM 23151 C CG . HIS A 1 27 ? 7.795 -1.831 1.273 1.00 0.00 ? 27 HIS A CG 17 ATOM 23152 N ND1 . HIS A 1 27 ? 8.921 -2.256 0.597 1.00 0.00 ? 27 HIS A ND1 17 ATOM 23153 C CD2 . HIS A 1 27 ? 7.048 -2.939 1.490 1.00 0.00 ? 27 HIS A CD2 17 ATOM 23154 C CE1 . HIS A 1 27 ? 8.854 -3.563 0.414 1.00 0.00 ? 27 HIS A CE1 17 ATOM 23155 N NE2 . HIS A 1 27 ? 7.729 -4.001 0.947 1.00 0.00 ? 27 HIS A NE2 17 ATOM 23156 H H . HIS A 1 27 ? 6.450 0.606 3.696 1.00 0.00 ? 27 HIS A H 17 ATOM 23157 H HA . HIS A 1 27 ? 8.886 -0.789 3.276 1.00 0.00 ? 27 HIS A HA 17 ATOM 23158 H HB2 . HIS A 1 27 ? 6.497 -0.275 1.814 1.00 0.00 ? 27 HIS A HB2 17 ATOM 23159 H HB3 . HIS A 1 27 ? 7.855 0.215 0.806 1.00 0.00 ? 27 HIS A HB3 17 ATOM 23160 H HD1 . HIS A 1 27 ? 9.657 -1.684 0.296 1.00 0.00 ? 27 HIS A HD1 17 ATOM 23161 H HD2 . HIS A 1 27 ? 6.094 -2.981 1.997 1.00 0.00 ? 27 HIS A HD2 17 ATOM 23162 H HE1 . HIS A 1 27 ? 9.595 -4.169 -0.086 1.00 0.00 ? 27 HIS A HE1 17 ATOM 23163 H HE2 . HIS A 1 27 ? 7.430 -4.934 0.952 1.00 0.00 ? 27 HIS A HE2 17 ATOM 23164 N N . LYS A 1 28 ? 8.819 2.407 2.730 1.00 0.00 ? 28 LYS A N 17 ATOM 23165 C CA . LYS A 1 28 ? 9.631 3.582 2.443 1.00 0.00 ? 28 LYS A CA 17 ATOM 23166 C C . LYS A 1 28 ? 10.736 3.739 3.480 1.00 0.00 ? 28 LYS A C 17 ATOM 23167 O O . LYS A 1 28 ? 11.828 4.217 3.172 1.00 0.00 ? 28 LYS A O 17 ATOM 23168 C CB . LYS A 1 28 ? 8.758 4.838 2.415 1.00 0.00 ? 28 LYS A CB 17 ATOM 23169 C CG . LYS A 1 28 ? 9.270 5.914 1.471 1.00 0.00 ? 28 LYS A CG 17 ATOM 23170 C CD . LYS A 1 28 ? 9.518 7.224 2.202 1.00 0.00 ? 28 LYS A CD 17 ATOM 23171 C CE . LYS A 1 28 ? 8.242 8.037 2.336 1.00 0.00 ? 28 LYS A CE 17 ATOM 23172 N NZ . LYS A 1 28 ? 8.494 9.369 2.952 1.00 0.00 ? 28 LYS A NZ 17 ATOM 23173 H H . LYS A 1 28 ? 7.910 2.530 3.073 1.00 0.00 ? 28 LYS A H 17 ATOM 23174 H HA . LYS A 1 28 ? 10.079 3.444 1.473 1.00 0.00 ? 28 LYS A HA 17 ATOM 23175 H HB2 . LYS A 1 28 ? 7.761 4.562 2.105 1.00 0.00 ? 28 LYS A HB2 17 ATOM 23176 H HB3 . LYS A 1 28 ? 8.713 5.254 3.411 1.00 0.00 ? 28 LYS A HB3 17 ATOM 23177 H HG2 . LYS A 1 28 ? 10.197 5.580 1.028 1.00 0.00 ? 28 LYS A HG2 17 ATOM 23178 H HG3 . LYS A 1 28 ? 8.537 6.078 0.696 1.00 0.00 ? 28 LYS A HG3 17 ATOM 23179 H HD2 . LYS A 1 28 ? 9.901 7.007 3.189 1.00 0.00 ? 28 LYS A HD2 17 ATOM 23180 H HD3 . LYS A 1 28 ? 10.247 7.800 1.650 1.00 0.00 ? 28 LYS A HD3 17 ATOM 23181 H HE2 . LYS A 1 28 ? 7.816 8.179 1.354 1.00 0.00 ? 28 LYS A HE2 17 ATOM 23182 H HE3 . LYS A 1 28 ? 7.545 7.491 2.955 1.00 0.00 ? 28 LYS A HE3 17 ATOM 23183 H HZ1 . LYS A 1 28 ? 9.433 9.720 2.674 1.00 0.00 ? 28 LYS A HZ1 17 ATOM 23184 H HZ2 . LYS A 1 28 ? 7.775 10.051 2.636 1.00 0.00 ? 28 LYS A HZ2 17 ATOM 23185 H HZ3 . LYS A 1 28 ? 8.457 9.297 3.988 1.00 0.00 ? 28 LYS A HZ3 17 ATOM 23186 N N . GLN A 1 29 ? 10.444 3.330 4.710 1.00 0.00 ? 29 GLN A N 17 ATOM 23187 C CA . GLN A 1 29 ? 11.411 3.423 5.796 1.00 0.00 ? 29 GLN A CA 17 ATOM 23188 C C . GLN A 1 29 ? 12.553 2.432 5.587 1.00 0.00 ? 29 GLN A C 17 ATOM 23189 O O . GLN A 1 29 ? 13.717 2.759 5.809 1.00 0.00 ? 29 GLN A O 17 ATOM 23190 C CB . GLN A 1 29 ? 10.730 3.160 7.140 1.00 0.00 ? 29 GLN A CB 17 ATOM 23191 C CG . GLN A 1 29 ? 11.537 3.638 8.335 1.00 0.00 ? 29 GLN A CG 17 ATOM 23192 C CD . GLN A 1 29 ? 10.819 4.711 9.131 1.00 0.00 ? 29 GLN A CD 17 ATOM 23193 O OE1 . GLN A 1 29 ? 9.721 4.489 9.643 1.00 0.00 ? 29 GLN A OE1 17 ATOM 23194 N NE2 . GLN A 1 29 ? 11.437 5.880 9.241 1.00 0.00 ? 29 GLN A NE2 17 ATOM 23195 H H . GLN A 1 29 ? 9.556 2.958 4.892 1.00 0.00 ? 29 GLN A H 17 ATOM 23196 H HA . GLN A 1 29 ? 11.815 4.424 5.796 1.00 0.00 ? 29 GLN A HA 17 ATOM 23197 H HB2 . GLN A 1 29 ? 9.775 3.664 7.151 1.00 0.00 ? 29 GLN A HB2 17 ATOM 23198 H HB3 . GLN A 1 29 ? 10.566 2.097 7.246 1.00 0.00 ? 29 GLN A HB3 17 ATOM 23199 H HG2 . GLN A 1 29 ? 11.729 2.798 8.985 1.00 0.00 ? 29 GLN A HG2 17 ATOM 23200 H HG3 . GLN A 1 29 ? 12.475 4.041 7.982 1.00 0.00 ? 29 GLN A HG3 17 ATOM 23201 H HE21 . GLN A 1 29 ? 12.310 5.985 8.808 1.00 0.00 ? 29 GLN A HE21 17 ATOM 23202 H HE22 . GLN A 1 29 ? 10.995 6.591 9.751 1.00 0.00 ? 29 GLN A HE22 17 ATOM 23203 N N . SER A 1 30 ? 12.209 1.222 5.161 1.00 0.00 ? 30 SER A N 17 ATOM 23204 C CA . SER A 1 30 ? 13.208 0.185 4.922 1.00 0.00 ? 30 SER A CA 17 ATOM 23205 C C . SER A 1 30 ? 14.092 0.538 3.729 1.00 0.00 ? 30 SER A C 17 ATOM 23206 O O . SER A 1 30 ? 15.308 0.355 3.769 1.00 0.00 ? 30 SER A O 17 ATOM 23207 C CB . SER A 1 30 ? 12.527 -1.165 4.686 1.00 0.00 ? 30 SER A CB 17 ATOM 23208 O OG . SER A 1 30 ? 13.471 -2.222 4.703 1.00 0.00 ? 30 SER A OG 17 ATOM 23209 H H . SER A 1 30 ? 11.259 1.019 5.002 1.00 0.00 ? 30 SER A H 17 ATOM 23210 H HA . SER A 1 30 ? 13.827 0.115 5.804 1.00 0.00 ? 30 SER A HA 17 ATOM 23211 H HB2 . SER A 1 30 ? 11.798 -1.338 5.462 1.00 0.00 ? 30 SER A HB2 17 ATOM 23212 H HB3 . SER A 1 30 ? 12.034 -1.153 3.725 1.00 0.00 ? 30 SER A HB3 17 ATOM 23213 H HG . SER A 1 30 ? 13.141 -2.954 4.177 1.00 0.00 ? 30 SER A HG 17 ATOM 23214 N N . ILE A 1 31 ? 13.471 1.045 2.668 1.00 0.00 ? 31 ILE A N 17 ATOM 23215 C CA . ILE A 1 31 ? 14.199 1.423 1.459 1.00 0.00 ? 31 ILE A CA 17 ATOM 23216 C C . ILE A 1 31 ? 15.032 2.680 1.688 1.00 0.00 ? 31 ILE A C 17 ATOM 23217 O O . ILE A 1 31 ? 16.033 2.905 1.007 1.00 0.00 ? 31 ILE A O 17 ATOM 23218 C CB . ILE A 1 31 ? 13.236 1.661 0.277 1.00 0.00 ? 31 ILE A CB 17 ATOM 23219 C CG1 . ILE A 1 31 ? 13.999 2.068 -0.983 1.00 0.00 ? 31 ILE A CG1 17 ATOM 23220 C CG2 . ILE A 1 31 ? 12.217 2.735 0.626 1.00 0.00 ? 31 ILE A CG2 17 ATOM 23221 C CD1 . ILE A 1 31 ? 14.746 0.931 -1.636 1.00 0.00 ? 31 ILE A CD1 17 ATOM 23222 H H . ILE A 1 31 ? 12.499 1.164 2.699 1.00 0.00 ? 31 ILE A H 17 ATOM 23223 H HA . ILE A 1 31 ? 14.859 0.608 1.199 1.00 0.00 ? 31 ILE A HA 17 ATOM 23224 H HB . ILE A 1 31 ? 12.708 0.737 0.087 1.00 0.00 ? 31 ILE A HB 17 ATOM 23225 H HG12 . ILE A 1 31 ? 13.296 2.456 -1.707 1.00 0.00 ? 31 ILE A HG12 17 ATOM 23226 H HG13 . ILE A 1 31 ? 14.714 2.838 -0.733 1.00 0.00 ? 31 ILE A HG13 17 ATOM 23227 H HG21 . ILE A 1 31 ? 11.796 2.536 1.597 1.00 0.00 ? 31 ILE A HG21 17 ATOM 23228 H HG22 . ILE A 1 31 ? 12.701 3.699 0.636 1.00 0.00 ? 31 ILE A HG22 17 ATOM 23229 H HG23 . ILE A 1 31 ? 11.431 2.736 -0.114 1.00 0.00 ? 31 ILE A HG23 17 ATOM 23230 H HD11 . ILE A 1 31 ? 15.290 0.377 -0.887 1.00 0.00 ? 31 ILE A HD11 17 ATOM 23231 H HD12 . ILE A 1 31 ? 14.042 0.277 -2.126 1.00 0.00 ? 31 ILE A HD12 17 ATOM 23232 H HD13 . ILE A 1 31 ? 15.436 1.326 -2.366 1.00 0.00 ? 31 ILE A HD13 17 ATOM 23233 N N . LYS A 1 32 ? 14.618 3.493 2.654 1.00 0.00 ? 32 LYS A N 17 ATOM 23234 C CA . LYS A 1 32 ? 15.330 4.724 2.973 1.00 0.00 ? 32 LYS A CA 17 ATOM 23235 C C . LYS A 1 32 ? 16.571 4.434 3.811 1.00 0.00 ? 32 LYS A C 17 ATOM 23236 O O . LYS A 1 32 ? 17.599 5.095 3.663 1.00 0.00 ? 32 LYS A O 17 ATOM 23237 C CB . LYS A 1 32 ? 14.410 5.692 3.718 1.00 0.00 ? 32 LYS A CB 17 ATOM 23238 C CG . LYS A 1 32 ? 14.961 7.105 3.811 1.00 0.00 ? 32 LYS A CG 17 ATOM 23239 C CD . LYS A 1 32 ? 14.755 7.694 5.197 1.00 0.00 ? 32 LYS A CD 17 ATOM 23240 C CE . LYS A 1 32 ? 15.935 7.394 6.109 1.00 0.00 ? 32 LYS A CE 17 ATOM 23241 N NZ . LYS A 1 32 ? 17.092 8.288 5.832 1.00 0.00 ? 32 LYS A NZ 17 ATOM 23242 H H . LYS A 1 32 ? 13.815 3.258 3.165 1.00 0.00 ? 32 LYS A H 17 ATOM 23243 H HA . LYS A 1 32 ? 15.637 5.178 2.042 1.00 0.00 ? 32 LYS A HA 17 ATOM 23244 H HB2 . LYS A 1 32 ? 13.459 5.732 3.208 1.00 0.00 ? 32 LYS A HB2 17 ATOM 23245 H HB3 . LYS A 1 32 ? 14.255 5.322 4.722 1.00 0.00 ? 32 LYS A HB3 17 ATOM 23246 H HG2 . LYS A 1 32 ? 16.018 7.085 3.593 1.00 0.00 ? 32 LYS A HG2 17 ATOM 23247 H HG3 . LYS A 1 32 ? 14.454 7.727 3.087 1.00 0.00 ? 32 LYS A HG3 17 ATOM 23248 H HD2 . LYS A 1 32 ? 14.643 8.764 5.111 1.00 0.00 ? 32 LYS A HD2 17 ATOM 23249 H HD3 . LYS A 1 32 ? 13.861 7.269 5.629 1.00 0.00 ? 32 LYS A HD3 17 ATOM 23250 H HE2 . LYS A 1 32 ? 15.625 7.530 7.134 1.00 0.00 ? 32 LYS A HE2 17 ATOM 23251 H HE3 . LYS A 1 32 ? 16.239 6.369 5.958 1.00 0.00 ? 32 LYS A HE3 17 ATOM 23252 H HZ1 . LYS A 1 32 ? 16.757 9.213 5.494 1.00 0.00 ? 32 LYS A HZ1 17 ATOM 23253 H HZ2 . LYS A 1 32 ? 17.651 8.430 6.698 1.00 0.00 ? 32 LYS A HZ2 17 ATOM 23254 H HZ3 . LYS A 1 32 ? 17.703 7.868 5.104 1.00 0.00 ? 32 LYS A HZ3 17 ATOM 23255 N N . LYS A 1 33 ? 16.469 3.442 4.689 1.00 0.00 ? 33 LYS A N 17 ATOM 23256 C CA . LYS A 1 33 ? 17.586 3.067 5.547 1.00 0.00 ? 33 LYS A CA 17 ATOM 23257 C C . LYS A 1 33 ? 18.584 2.200 4.786 1.00 0.00 ? 33 LYS A C 17 ATOM 23258 O O . LYS A 1 33 ? 19.775 2.184 5.099 1.00 0.00 ? 33 LYS A O 17 ATOM 23259 C CB . LYS A 1 33 ? 17.080 2.318 6.782 1.00 0.00 ? 33 LYS A CB 17 ATOM 23260 C CG . LYS A 1 33 ? 18.177 1.976 7.777 1.00 0.00 ? 33 LYS A CG 17 ATOM 23261 C CD . LYS A 1 33 ? 17.870 0.686 8.522 1.00 0.00 ? 33 LYS A CD 17 ATOM 23262 C CE . LYS A 1 33 ? 18.582 0.636 9.864 1.00 0.00 ? 33 LYS A CE 17 ATOM 23263 N NZ . LYS A 1 33 ? 17.623 0.561 11.000 1.00 0.00 ? 33 LYS A NZ 17 ATOM 23264 H H . LYS A 1 33 ? 15.625 2.949 4.760 1.00 0.00 ? 33 LYS A H 17 ATOM 23265 H HA . LYS A 1 33 ? 18.082 3.972 5.863 1.00 0.00 ? 33 LYS A HA 17 ATOM 23266 H HB2 . LYS A 1 33 ? 16.346 2.932 7.284 1.00 0.00 ? 33 LYS A HB2 17 ATOM 23267 H HB3 . LYS A 1 33 ? 16.611 1.399 6.465 1.00 0.00 ? 33 LYS A HB3 17 ATOM 23268 H HG2 . LYS A 1 33 ? 19.109 1.859 7.246 1.00 0.00 ? 33 LYS A HG2 17 ATOM 23269 H HG3 . LYS A 1 33 ? 18.266 2.782 8.491 1.00 0.00 ? 33 LYS A HG3 17 ATOM 23270 H HD2 . LYS A 1 33 ? 16.806 0.623 8.689 1.00 0.00 ? 33 LYS A HD2 17 ATOM 23271 H HD3 . LYS A 1 33 ? 18.193 -0.150 7.921 1.00 0.00 ? 33 LYS A HD3 17 ATOM 23272 H HE2 . LYS A 1 33 ? 19.220 -0.235 9.886 1.00 0.00 ? 33 LYS A HE2 17 ATOM 23273 H HE3 . LYS A 1 33 ? 19.186 1.526 9.971 1.00 0.00 ? 33 LYS A HE3 17 ATOM 23274 H HZ1 . LYS A 1 33 ? 16.892 -0.152 10.805 1.00 0.00 ? 33 LYS A HZ1 17 ATOM 23275 H HZ2 . LYS A 1 33 ? 18.123 0.299 11.873 1.00 0.00 ? 33 LYS A HZ2 17 ATOM 23276 H HZ3 . LYS A 1 33 ? 17.164 1.483 11.141 1.00 0.00 ? 33 LYS A HZ3 17 ATOM 23277 N N . LEU A 1 34 ? 18.088 1.482 3.785 1.00 0.00 ? 34 LEU A N 17 ATOM 23278 C CA . LEU A 1 34 ? 18.933 0.613 2.975 1.00 0.00 ? 34 LEU A CA 17 ATOM 23279 C C . LEU A 1 34 ? 19.660 1.417 1.902 1.00 0.00 ? 34 LEU A C 17 ATOM 23280 O O . LEU A 1 34 ? 20.759 1.055 1.480 1.00 0.00 ? 34 LEU A O 17 ATOM 23281 C CB . LEU A 1 34 ? 18.093 -0.489 2.327 1.00 0.00 ? 34 LEU A CB 17 ATOM 23282 C CG . LEU A 1 34 ? 18.333 -1.895 2.881 1.00 0.00 ? 34 LEU A CG 17 ATOM 23283 C CD1 . LEU A 1 34 ? 17.119 -2.779 2.639 1.00 0.00 ? 34 LEU A CD1 17 ATOM 23284 C CD2 . LEU A 1 34 ? 19.576 -2.509 2.252 1.00 0.00 ? 34 LEU A CD2 17 ATOM 23285 H H . LEU A 1 34 ? 17.131 1.539 3.584 1.00 0.00 ? 34 LEU A H 17 ATOM 23286 H HA . LEU A 1 34 ? 19.665 0.161 3.627 1.00 0.00 ? 34 LEU A HA 17 ATOM 23287 H HB2 . LEU A 1 34 ? 17.049 -0.245 2.463 1.00 0.00 ? 34 LEU A HB2 17 ATOM 23288 H HB3 . LEU A 1 34 ? 18.307 -0.503 1.269 1.00 0.00 ? 34 LEU A HB3 17 ATOM 23289 H HG . LEU A 1 34 ? 18.493 -1.833 3.947 1.00 0.00 ? 34 LEU A HG 17 ATOM 23290 H HD11 . LEU A 1 34 ? 16.219 -2.206 2.802 1.00 0.00 ? 34 LEU A HD11 17 ATOM 23291 H HD12 . LEU A 1 34 ? 17.135 -3.142 1.622 1.00 0.00 ? 34 LEU A HD12 17 ATOM 23292 H HD13 . LEU A 1 34 ? 17.143 -3.617 3.320 1.00 0.00 ? 34 LEU A HD13 17 ATOM 23293 H HD21 . LEU A 1 34 ? 20.344 -1.755 2.164 1.00 0.00 ? 34 LEU A HD21 17 ATOM 23294 H HD22 . LEU A 1 34 ? 19.933 -3.315 2.876 1.00 0.00 ? 34 LEU A HD22 17 ATOM 23295 H HD23 . LEU A 1 34 ? 19.333 -2.892 1.272 1.00 0.00 ? 34 LEU A HD23 17 ATOM 23296 N N . LYS A 1 35 ? 19.042 2.511 1.469 1.00 0.00 ? 35 LYS A N 17 ATOM 23297 C CA . LYS A 1 35 ? 19.633 3.368 0.449 1.00 0.00 ? 35 LYS A CA 17 ATOM 23298 C C . LYS A 1 35 ? 20.679 4.292 1.062 1.00 0.00 ? 35 LYS A C 17 ATOM 23299 O O . LYS A 1 35 ? 21.691 4.604 0.435 1.00 0.00 ? 35 LYS A O 17 ATOM 23300 C CB . LYS A 1 35 ? 18.548 4.192 -0.247 1.00 0.00 ? 35 LYS A CB 17 ATOM 23301 C CG . LYS A 1 35 ? 17.826 3.438 -1.352 1.00 0.00 ? 35 LYS A CG 17 ATOM 23302 C CD . LYS A 1 35 ? 18.655 3.387 -2.625 1.00 0.00 ? 35 LYS A CD 17 ATOM 23303 C CE . LYS A 1 35 ? 17.920 2.660 -3.739 1.00 0.00 ? 35 LYS A CE 17 ATOM 23304 N NZ . LYS A 1 35 ? 17.467 3.593 -4.807 1.00 0.00 ? 35 LYS A NZ 17 ATOM 23305 H H . LYS A 1 35 ? 18.168 2.749 1.846 1.00 0.00 ? 35 LYS A H 17 ATOM 23306 H HA . LYS A 1 35 ? 20.115 2.733 -0.279 1.00 0.00 ? 35 LYS A HA 17 ATOM 23307 H HB2 . LYS A 1 35 ? 17.818 4.499 0.487 1.00 0.00 ? 35 LYS A HB2 17 ATOM 23308 H HB3 . LYS A 1 35 ? 19.002 5.072 -0.679 1.00 0.00 ? 35 LYS A HB3 17 ATOM 23309 H HG2 . LYS A 1 35 ? 17.633 2.431 -1.019 1.00 0.00 ? 35 LYS A HG2 17 ATOM 23310 H HG3 . LYS A 1 35 ? 16.891 3.937 -1.562 1.00 0.00 ? 35 LYS A HG3 17 ATOM 23311 H HD2 . LYS A 1 35 ? 18.868 4.395 -2.946 1.00 0.00 ? 35 LYS A HD2 17 ATOM 23312 H HD3 . LYS A 1 35 ? 19.581 2.869 -2.418 1.00 0.00 ? 35 LYS A HD3 17 ATOM 23313 H HE2 . LYS A 1 35 ? 18.584 1.927 -4.172 1.00 0.00 ? 35 LYS A HE2 17 ATOM 23314 H HE3 . LYS A 1 35 ? 17.059 2.161 -3.319 1.00 0.00 ? 35 LYS A HE3 17 ATOM 23315 H HZ1 . LYS A 1 35 ? 18.177 4.340 -4.953 1.00 0.00 ? 35 LYS A HZ1 17 ATOM 23316 H HZ2 . LYS A 1 35 ? 17.332 3.077 -5.700 1.00 0.00 ? 35 LYS A HZ2 17 ATOM 23317 H HZ3 . LYS A 1 35 ? 16.566 4.035 -4.536 1.00 0.00 ? 35 LYS A HZ3 17 ATOM 23318 N N . GLN A 1 36 ? 20.428 4.724 2.294 1.00 0.00 ? 36 GLN A N 17 ATOM 23319 C CA . GLN A 1 36 ? 21.349 5.609 2.995 1.00 0.00 ? 36 GLN A CA 17 ATOM 23320 C C . GLN A 1 36 ? 22.534 4.825 3.547 1.00 0.00 ? 36 GLN A C 17 ATOM 23321 O O . GLN A 1 36 ? 23.645 5.345 3.644 1.00 0.00 ? 36 GLN A O 17 ATOM 23322 C CB . GLN A 1 36 ? 20.627 6.336 4.131 1.00 0.00 ? 36 GLN A CB 17 ATOM 23323 C CG . GLN A 1 36 ? 21.111 7.761 4.345 1.00 0.00 ? 36 GLN A CG 17 ATOM 23324 C CD . GLN A 1 36 ? 22.191 7.858 5.405 1.00 0.00 ? 36 GLN A CD 17 ATOM 23325 O OE1 . GLN A 1 36 ? 22.385 6.934 6.196 1.00 0.00 ? 36 GLN A OE1 17 ATOM 23326 N NE2 . GLN A 1 36 ? 22.901 8.979 5.427 1.00 0.00 ? 36 GLN A NE2 17 ATOM 23327 H H . GLN A 1 36 ? 19.604 4.438 2.742 1.00 0.00 ? 36 GLN A H 17 ATOM 23328 H HA . GLN A 1 36 ? 21.714 6.337 2.286 1.00 0.00 ? 36 GLN A HA 17 ATOM 23329 H HB2 . GLN A 1 36 ? 19.571 6.367 3.909 1.00 0.00 ? 36 GLN A HB2 17 ATOM 23330 H HB3 . GLN A 1 36 ? 20.778 5.786 5.048 1.00 0.00 ? 36 GLN A HB3 17 ATOM 23331 H HG2 . GLN A 1 36 ? 21.508 8.137 3.414 1.00 0.00 ? 36 GLN A HG2 17 ATOM 23332 H HG3 . GLN A 1 36 ? 20.272 8.370 4.650 1.00 0.00 ? 36 GLN A HG3 17 ATOM 23333 H HE21 . GLN A 1 36 ? 22.691 9.673 4.767 1.00 0.00 ? 36 GLN A HE21 17 ATOM 23334 H HE22 . GLN A 1 36 ? 23.606 9.068 6.102 1.00 0.00 ? 36 GLN A HE22 17 ATOM 23335 N N . SER A 1 37 ? 22.288 3.569 3.905 1.00 0.00 ? 37 SER A N 17 ATOM 23336 C CA . SER A 1 37 ? 23.336 2.710 4.445 1.00 0.00 ? 37 SER A CA 17 ATOM 23337 C C . SER A 1 37 ? 24.242 2.198 3.332 1.00 0.00 ? 37 SER A C 17 ATOM 23338 O O . SER A 1 37 ? 25.417 1.907 3.558 1.00 0.00 ? 37 SER A O 17 ATOM 23339 C CB . SER A 1 37 ? 22.720 1.531 5.200 1.00 0.00 ? 37 SER A CB 17 ATOM 23340 O OG . SER A 1 37 ? 22.457 1.872 6.551 1.00 0.00 ? 37 SER A OG 17 ATOM 23341 H H . SER A 1 37 ? 21.382 3.210 3.802 1.00 0.00 ? 37 SER A H 17 ATOM 23342 H HA . SER A 1 37 ? 23.926 3.298 5.131 1.00 0.00 ? 37 SER A HA 17 ATOM 23343 H HB2 . SER A 1 37 ? 21.791 1.248 4.728 1.00 0.00 ? 37 SER A HB2 17 ATOM 23344 H HB3 . SER A 1 37 ? 23.404 0.695 5.179 1.00 0.00 ? 37 SER A HB3 17 ATOM 23345 H HG . SER A 1 37 ? 22.139 1.097 7.021 1.00 0.00 ? 37 SER A HG 17 ATOM 23346 N N . GLU A 1 38 ? 23.690 2.092 2.127 1.00 0.00 ? 38 GLU A N 17 ATOM 23347 C CA . GLU A 1 38 ? 24.449 1.617 0.977 1.00 0.00 ? 38 GLU A CA 17 ATOM 23348 C C . GLU A 1 38 ? 25.400 2.697 0.473 1.00 0.00 ? 38 GLU A C 17 ATOM 23349 O O . GLU A 1 38 ? 26.426 2.399 -0.140 1.00 0.00 ? 38 GLU A O 17 ATOM 23350 C CB . GLU A 1 38 ? 23.501 1.188 -0.145 1.00 0.00 ? 38 GLU A CB 17 ATOM 23351 C CG . GLU A 1 38 ? 23.626 -0.279 -0.517 1.00 0.00 ? 38 GLU A CG 17 ATOM 23352 C CD . GLU A 1 38 ? 23.925 -0.484 -1.989 1.00 0.00 ? 38 GLU A CD 17 ATOM 23353 O OE1 . GLU A 1 38 ? 23.619 0.424 -2.790 1.00 0.00 ? 38 GLU A OE1 17 ATOM 23354 O OE2 . GLU A 1 38 ? 24.466 -1.554 -2.342 1.00 0.00 ? 38 GLU A OE2 17 ATOM 23355 H H . GLU A 1 38 ? 22.748 2.341 2.009 1.00 0.00 ? 38 GLU A H 17 ATOM 23356 H HA . GLU A 1 38 ? 25.029 0.763 1.293 1.00 0.00 ? 38 GLU A HA 17 ATOM 23357 H HB2 . GLU A 1 38 ? 22.484 1.374 0.167 1.00 0.00 ? 38 GLU A HB2 17 ATOM 23358 H HB3 . GLU A 1 38 ? 23.712 1.780 -1.024 1.00 0.00 ? 38 GLU A HB3 17 ATOM 23359 H HG2 . GLU A 1 38 ? 24.425 -0.719 0.061 1.00 0.00 ? 38 GLU A HG2 17 ATOM 23360 H HG3 . GLU A 1 38 ? 22.697 -0.778 -0.281 1.00 0.00 ? 38 GLU A HG3 17 ATOM 23361 N N . ASP A 1 39 ? 25.053 3.954 0.734 1.00 0.00 ? 39 ASP A N 17 ATOM 23362 C CA . ASP A 1 39 ? 25.877 5.079 0.307 1.00 0.00 ? 39 ASP A CA 17 ATOM 23363 C C . ASP A 1 39 ? 27.145 5.174 1.149 1.00 0.00 ? 39 ASP A C 17 ATOM 23364 O O . ASP A 1 39 ? 28.164 5.699 0.699 1.00 0.00 ? 39 ASP A O 17 ATOM 23365 C CB . ASP A 1 39 ? 25.086 6.384 0.406 1.00 0.00 ? 39 ASP A CB 17 ATOM 23366 C CG . ASP A 1 39 ? 25.680 7.486 -0.449 1.00 0.00 ? 39 ASP A CG 17 ATOM 23367 O OD1 . ASP A 1 39 ? 26.743 8.023 -0.073 1.00 0.00 ? 39 ASP A OD1 17 ATOM 23368 O OD2 . ASP A 1 39 ? 25.082 7.813 -1.496 1.00 0.00 ? 39 ASP A OD2 17 ATOM 23369 H H . ASP A 1 39 ? 24.224 4.129 1.227 1.00 0.00 ? 39 ASP A H 17 ATOM 23370 H HA . ASP A 1 39 ? 26.155 4.914 -0.723 1.00 0.00 ? 39 ASP A HA 17 ATOM 23371 H HB2 . ASP A 1 39 ? 24.071 6.209 0.081 1.00 0.00 ? 39 ASP A HB2 17 ATOM 23372 H HB3 . ASP A 1 39 ? 25.078 6.716 1.434 1.00 0.00 ? 39 ASP A HB3 17 ATOM 23373 N N . ASP A 1 40 ? 27.076 4.661 2.374 1.00 0.00 ? 40 ASP A N 17 ATOM 23374 C CA . ASP A 1 40 ? 28.220 4.688 3.278 1.00 0.00 ? 40 ASP A CA 17 ATOM 23375 C C . ASP A 1 40 ? 28.504 6.109 3.754 1.00 0.00 ? 40 ASP A C 17 ATOM 23376 O O . ASP A 1 40 ? 28.473 7.055 2.968 1.00 0.00 ? 40 ASP A O 17 ATOM 23377 C CB . ASP A 1 40 ? 29.457 4.111 2.589 1.00 0.00 ? 40 ASP A CB 17 ATOM 23378 C CG . ASP A 1 40 ? 30.070 2.963 3.367 1.00 0.00 ? 40 ASP A CG 17 ATOM 23379 O OD1 . ASP A 1 40 ? 29.635 1.809 3.164 1.00 0.00 ? 40 ASP A OD1 17 ATOM 23380 O OD2 . ASP A 1 40 ? 30.986 3.216 4.177 1.00 0.00 ? 40 ASP A OD2 17 ATOM 23381 H H . ASP A 1 40 ? 26.237 4.255 2.676 1.00 0.00 ? 40 ASP A H 17 ATOM 23382 H HA . ASP A 1 40 ? 27.978 4.076 4.135 1.00 0.00 ? 40 ASP A HA 17 ATOM 23383 H HB2 . ASP A 1 40 ? 29.181 3.750 1.609 1.00 0.00 ? 40 ASP A HB2 17 ATOM 23384 H HB3 . ASP A 1 40 ? 30.199 4.889 2.486 1.00 0.00 ? 40 ASP A HB3 17 ATOM 23385 N N . ASP A 1 41 ? 28.783 6.250 5.046 1.00 0.00 ? 41 ASP A N 17 ATOM 23386 C CA . ASP A 1 41 ? 29.073 7.556 5.627 1.00 0.00 ? 41 ASP A CA 17 ATOM 23387 C C . ASP A 1 41 ? 29.667 7.409 7.024 1.00 0.00 ? 41 ASP A C 17 ATOM 23388 O O . ASP A 1 41 ? 30.120 8.430 7.584 1.00 0.00 ? 41 ASP A O 17 ATOM 23389 C CB . ASP A 1 41 ? 27.801 8.404 5.688 1.00 0.00 ? 41 ASP A CB 17 ATOM 23390 C CG . ASP A 1 41 ? 28.098 9.878 5.883 1.00 0.00 ? 41 ASP A CG 17 ATOM 23391 O OD1 . ASP A 1 41 ? 29.266 10.215 6.174 1.00 0.00 ? 41 ASP A OD1 17 ATOM 23392 O OD2 . ASP A 1 41 ? 27.165 10.696 5.743 1.00 0.00 ? 41 ASP A OD2 17 ATOM 23393 O OXT . ASP A 1 41 ? 29.676 6.274 7.546 1.00 0.00 ? 41 ASP A OXT 17 ATOM 23394 H H . ASP A 1 41 ? 28.793 5.457 5.622 1.00 0.00 ? 41 ASP A H 17 ATOM 23395 H HA . ASP A 1 41 ? 29.794 8.048 4.992 1.00 0.00 ? 41 ASP A HA 17 ATOM 23396 H HB2 . ASP A 1 41 ? 27.253 8.286 4.766 1.00 0.00 ? 41 ASP A HB2 17 ATOM 23397 H HB3 . ASP A 1 41 ? 27.190 8.066 6.512 1.00 0.00 ? 41 ASP A HB3 17 ATOM 23398 N N . ALA B 1 1 ? 31.135 -4.637 -1.808 1.00 0.00 ? 1 ALA B N 17 ATOM 23399 C CA . ALA B 1 1 ? 31.591 -5.569 -2.872 1.00 0.00 ? 1 ALA B CA 17 ATOM 23400 C C . ALA B 1 1 ? 30.887 -6.917 -2.759 1.00 0.00 ? 1 ALA B C 17 ATOM 23401 O O . ALA B 1 1 ? 30.030 -7.251 -3.577 1.00 0.00 ? 1 ALA B O 17 ATOM 23402 C CB . ALA B 1 1 ? 33.099 -5.755 -2.798 1.00 0.00 ? 1 ALA B CB 17 ATOM 23403 H H1 . ALA B 1 1 ? 30.906 -5.205 -0.968 1.00 0.00 ? 1 ALA B H1 17 ATOM 23404 H H2 . ALA B 1 1 ? 31.910 -3.974 -1.615 1.00 0.00 ? 1 ALA B H2 17 ATOM 23405 H H3 . ALA B 1 1 ? 30.295 -4.138 -2.164 1.00 0.00 ? 1 ALA B H3 17 ATOM 23406 H HA . ALA B 1 1 ? 31.354 -5.131 -3.832 1.00 0.00 ? 1 ALA B HA 17 ATOM 23407 H HB1 . ALA B 1 1 ? 33.491 -5.189 -1.966 1.00 0.00 ? 1 ALA B HB1 17 ATOM 23408 H HB2 . ALA B 1 1 ? 33.550 -5.405 -3.715 1.00 0.00 ? 1 ALA B HB2 17 ATOM 23409 H HB3 . ALA B 1 1 ? 33.326 -6.801 -2.661 1.00 0.00 ? 1 ALA B HB3 17 ATOM 23410 N N . LEU B 1 2 ? 31.253 -7.686 -1.739 1.00 0.00 ? 2 LEU B N 17 ATOM 23411 C CA . LEU B 1 2 ? 30.657 -8.997 -1.518 1.00 0.00 ? 2 LEU B CA 17 ATOM 23412 C C . LEU B 1 2 ? 29.166 -8.874 -1.218 1.00 0.00 ? 2 LEU B C 17 ATOM 23413 O O . LEU B 1 2 ? 28.396 -9.806 -1.455 1.00 0.00 ? 2 LEU B O 17 ATOM 23414 C CB . LEU B 1 2 ? 31.363 -9.715 -0.366 1.00 0.00 ? 2 LEU B CB 17 ATOM 23415 C CG . LEU B 1 2 ? 31.063 -11.211 -0.255 1.00 0.00 ? 2 LEU B CG 17 ATOM 23416 C CD1 . LEU B 1 2 ? 32.228 -11.941 0.397 1.00 0.00 ? 2 LEU B CD1 17 ATOM 23417 C CD2 . LEU B 1 2 ? 29.781 -11.439 0.531 1.00 0.00 ? 2 LEU B CD2 17 ATOM 23418 H H . LEU B 1 2 ? 31.942 -7.364 -1.120 1.00 0.00 ? 2 LEU B H 17 ATOM 23419 H HA . LEU B 1 2 ? 30.783 -9.576 -2.422 1.00 0.00 ? 2 LEU B HA 17 ATOM 23420 H HB2 . LEU B 1 2 ? 32.428 -9.591 -0.493 1.00 0.00 ? 2 LEU B HB2 17 ATOM 23421 H HB3 . LEU B 1 2 ? 31.069 -9.242 0.559 1.00 0.00 ? 2 LEU B HB3 17 ATOM 23422 H HG . LEU B 1 2 ? 30.926 -11.619 -1.245 1.00 0.00 ? 2 LEU B HG 17 ATOM 23423 H HD11 . LEU B 1 2 ? 33.141 -11.397 0.213 1.00 0.00 ? 2 LEU B HD11 17 ATOM 23424 H HD12 . LEU B 1 2 ? 32.057 -12.011 1.461 1.00 0.00 ? 2 LEU B HD12 17 ATOM 23425 H HD13 . LEU B 1 2 ? 32.309 -12.934 -0.020 1.00 0.00 ? 2 LEU B HD13 17 ATOM 23426 H HD21 . LEU B 1 2 ? 29.635 -10.624 1.226 1.00 0.00 ? 2 LEU B HD21 17 ATOM 23427 H HD22 . LEU B 1 2 ? 28.945 -11.485 -0.150 1.00 0.00 ? 2 LEU B HD22 17 ATOM 23428 H HD23 . LEU B 1 2 ? 29.854 -12.368 1.077 1.00 0.00 ? 2 LEU B HD23 17 ATOM 23429 N N . LYS B 1 3 ? 28.765 -7.719 -0.697 1.00 0.00 ? 3 LYS B N 17 ATOM 23430 C CA . LYS B 1 3 ? 27.367 -7.476 -0.365 1.00 0.00 ? 3 LYS B CA 17 ATOM 23431 C C . LYS B 1 3 ? 26.621 -6.875 -1.552 1.00 0.00 ? 3 LYS B C 17 ATOM 23432 O O . LYS B 1 3 ? 25.893 -5.893 -1.408 1.00 0.00 ? 3 LYS B O 17 ATOM 23433 C CB . LYS B 1 3 ? 27.262 -6.543 0.843 1.00 0.00 ? 3 LYS B CB 17 ATOM 23434 C CG . LYS B 1 3 ? 27.645 -7.203 2.157 1.00 0.00 ? 3 LYS B CG 17 ATOM 23435 C CD . LYS B 1 3 ? 26.966 -8.553 2.322 1.00 0.00 ? 3 LYS B CD 17 ATOM 23436 C CE . LYS B 1 3 ? 26.865 -8.950 3.786 1.00 0.00 ? 3 LYS B CE 17 ATOM 23437 N NZ . LYS B 1 3 ? 26.603 -10.407 3.950 1.00 0.00 ? 3 LYS B NZ 17 ATOM 23438 H H . LYS B 1 3 ? 29.426 -7.015 -0.531 1.00 0.00 ? 3 LYS B H 17 ATOM 23439 H HA . LYS B 1 3 ? 26.915 -8.424 -0.116 1.00 0.00 ? 3 LYS B HA 17 ATOM 23440 H HB2 . LYS B 1 3 ? 27.914 -5.696 0.687 1.00 0.00 ? 3 LYS B HB2 17 ATOM 23441 H HB3 . LYS B 1 3 ? 26.243 -6.192 0.925 1.00 0.00 ? 3 LYS B HB3 17 ATOM 23442 H HG2 . LYS B 1 3 ? 28.715 -7.345 2.179 1.00 0.00 ? 3 LYS B HG2 17 ATOM 23443 H HG3 . LYS B 1 3 ? 27.348 -6.559 2.972 1.00 0.00 ? 3 LYS B HG3 17 ATOM 23444 H HD2 . LYS B 1 3 ? 25.972 -8.498 1.905 1.00 0.00 ? 3 LYS B HD2 17 ATOM 23445 H HD3 . LYS B 1 3 ? 27.539 -9.301 1.794 1.00 0.00 ? 3 LYS B HD3 17 ATOM 23446 H HE2 . LYS B 1 3 ? 27.793 -8.703 4.278 1.00 0.00 ? 3 LYS B HE2 17 ATOM 23447 H HE3 . LYS B 1 3 ? 26.057 -8.394 4.241 1.00 0.00 ? 3 LYS B HE3 17 ATOM 23448 H HZ1 . LYS B 1 3 ? 27.017 -10.936 3.155 1.00 0.00 ? 3 LYS B HZ1 17 ATOM 23449 H HZ2 . LYS B 1 3 ? 27.025 -10.749 4.837 1.00 0.00 ? 3 LYS B HZ2 17 ATOM 23450 H HZ3 . LYS B 1 3 ? 25.579 -10.586 3.976 1.00 0.00 ? 3 LYS B HZ3 17 ATOM 23451 N N . LYS B 1 4 ? 26.806 -7.471 -2.725 1.00 0.00 ? 4 LYS B N 17 ATOM 23452 C CA . LYS B 1 4 ? 26.150 -6.996 -3.936 1.00 0.00 ? 4 LYS B CA 17 ATOM 23453 C C . LYS B 1 4 ? 24.645 -7.238 -3.869 1.00 0.00 ? 4 LYS B C 17 ATOM 23454 O O . LYS B 1 4 ? 23.854 -6.434 -4.360 1.00 0.00 ? 4 LYS B O 17 ATOM 23455 C CB . LYS B 1 4 ? 26.735 -7.692 -5.167 1.00 0.00 ? 4 LYS B CB 17 ATOM 23456 C CG . LYS B 1 4 ? 27.963 -6.996 -5.732 1.00 0.00 ? 4 LYS B CG 17 ATOM 23457 C CD . LYS B 1 4 ? 27.682 -6.389 -7.098 1.00 0.00 ? 4 LYS B CD 17 ATOM 23458 C CE . LYS B 1 4 ? 28.702 -6.842 -8.129 1.00 0.00 ? 4 LYS B CE 17 ATOM 23459 N NZ . LYS B 1 4 ? 30.068 -6.956 -7.548 1.00 0.00 ? 4 LYS B NZ 17 ATOM 23460 H H . LYS B 1 4 ? 27.398 -8.252 -2.777 1.00 0.00 ? 4 LYS B H 17 ATOM 23461 H HA . LYS B 1 4 ? 26.328 -5.934 -4.016 1.00 0.00 ? 4 LYS B HA 17 ATOM 23462 H HB2 . LYS B 1 4 ? 27.013 -8.700 -4.897 1.00 0.00 ? 4 LYS B HB2 17 ATOM 23463 H HB3 . LYS B 1 4 ? 25.981 -7.729 -5.938 1.00 0.00 ? 4 LYS B HB3 17 ATOM 23464 H HG2 . LYS B 1 4 ? 28.263 -6.209 -5.056 1.00 0.00 ? 4 LYS B HG2 17 ATOM 23465 H HG3 . LYS B 1 4 ? 28.762 -7.717 -5.827 1.00 0.00 ? 4 LYS B HG3 17 ATOM 23466 H HD2 . LYS B 1 4 ? 26.698 -6.694 -7.422 1.00 0.00 ? 4 LYS B HD2 17 ATOM 23467 H HD3 . LYS B 1 4 ? 27.718 -5.313 -7.017 1.00 0.00 ? 4 LYS B HD3 17 ATOM 23468 H HE2 . LYS B 1 4 ? 28.404 -7.807 -8.513 1.00 0.00 ? 4 LYS B HE2 17 ATOM 23469 H HE3 . LYS B 1 4 ? 28.722 -6.125 -8.938 1.00 0.00 ? 4 LYS B HE3 17 ATOM 23470 H HZ1 . LYS B 1 4 ? 30.192 -6.257 -6.788 1.00 0.00 ? 4 LYS B HZ1 17 ATOM 23471 H HZ2 . LYS B 1 4 ? 30.211 -7.907 -7.154 1.00 0.00 ? 4 LYS B HZ2 17 ATOM 23472 H HZ3 . LYS B 1 4 ? 30.784 -6.783 -8.282 1.00 0.00 ? 4 LYS B HZ3 17 ATOM 23473 N N . HIS B 1 5 ? 24.258 -8.351 -3.253 1.00 0.00 ? 5 HIS B N 17 ATOM 23474 C CA . HIS B 1 5 ? 22.849 -8.697 -3.118 1.00 0.00 ? 5 HIS B CA 17 ATOM 23475 C C . HIS B 1 5 ? 22.068 -7.555 -2.479 1.00 0.00 ? 5 HIS B C 17 ATOM 23476 O O . HIS B 1 5 ? 20.860 -7.428 -2.678 1.00 0.00 ? 5 HIS B O 17 ATOM 23477 C CB . HIS B 1 5 ? 22.693 -9.968 -2.281 1.00 0.00 ? 5 HIS B CB 17 ATOM 23478 C CG . HIS B 1 5 ? 23.327 -9.877 -0.927 1.00 0.00 ? 5 HIS B CG 17 ATOM 23479 N ND1 . HIS B 1 5 ? 24.270 -10.776 -0.475 1.00 0.00 ? 5 HIS B ND1 17 ATOM 23480 C CD2 . HIS B 1 5 ? 23.150 -8.985 0.076 1.00 0.00 ? 5 HIS B CD2 17 ATOM 23481 C CE1 . HIS B 1 5 ? 24.644 -10.443 0.747 1.00 0.00 ? 5 HIS B CE1 17 ATOM 23482 N NE2 . HIS B 1 5 ? 23.979 -9.359 1.104 1.00 0.00 ? 5 HIS B NE2 17 ATOM 23483 H H . HIS B 1 5 ? 24.937 -8.952 -2.879 1.00 0.00 ? 5 HIS B H 17 ATOM 23484 H HA . HIS B 1 5 ? 22.457 -8.878 -4.107 1.00 0.00 ? 5 HIS B HA 17 ATOM 23485 H HB2 . HIS B 1 5 ? 21.642 -10.172 -2.140 1.00 0.00 ? 5 HIS B HB2 17 ATOM 23486 H HB3 . HIS B 1 5 ? 23.147 -10.796 -2.806 1.00 0.00 ? 5 HIS B HB3 17 ATOM 23487 H HD1 . HIS B 1 5 ? 24.613 -11.546 -0.976 1.00 0.00 ? 5 HIS B HD1 17 ATOM 23488 H HD2 . HIS B 1 5 ? 22.480 -8.136 0.070 1.00 0.00 ? 5 HIS B HD2 17 ATOM 23489 H HE1 . HIS B 1 5 ? 25.370 -10.967 1.351 1.00 0.00 ? 5 HIS B HE1 17 ATOM 23490 H HE2 . HIS B 1 5 ? 24.066 -8.899 1.965 1.00 0.00 ? 5 HIS B HE2 17 ATOM 23491 N N . HIS B 1 6 ? 22.767 -6.723 -1.711 1.00 0.00 ? 6 HIS B N 17 ATOM 23492 C CA . HIS B 1 6 ? 22.138 -5.590 -1.043 1.00 0.00 ? 6 HIS B CA 17 ATOM 23493 C C . HIS B 1 6 ? 21.502 -4.645 -2.057 1.00 0.00 ? 6 HIS B C 17 ATOM 23494 O O . HIS B 1 6 ? 20.362 -4.213 -1.887 1.00 0.00 ? 6 HIS B O 17 ATOM 23495 C CB . HIS B 1 6 ? 23.165 -4.835 -0.198 1.00 0.00 ? 6 HIS B CB 17 ATOM 23496 C CG . HIS B 1 6 ? 22.782 -4.715 1.244 1.00 0.00 ? 6 HIS B CG 17 ATOM 23497 N ND1 . HIS B 1 6 ? 22.024 -5.660 1.903 1.00 0.00 ? 6 HIS B ND1 17 ATOM 23498 C CD2 . HIS B 1 6 ? 23.058 -3.754 2.158 1.00 0.00 ? 6 HIS B CD2 17 ATOM 23499 C CE1 . HIS B 1 6 ? 21.848 -5.285 3.159 1.00 0.00 ? 6 HIS B CE1 17 ATOM 23500 N NE2 . HIS B 1 6 ? 22.467 -4.133 3.338 1.00 0.00 ? 6 HIS B NE2 17 ATOM 23501 H H . HIS B 1 6 ? 23.726 -6.876 -1.590 1.00 0.00 ? 6 HIS B H 17 ATOM 23502 H HA . HIS B 1 6 ? 21.365 -5.975 -0.395 1.00 0.00 ? 6 HIS B HA 17 ATOM 23503 H HB2 . HIS B 1 6 ? 24.111 -5.352 -0.248 1.00 0.00 ? 6 HIS B HB2 17 ATOM 23504 H HB3 . HIS B 1 6 ? 23.284 -3.838 -0.595 1.00 0.00 ? 6 HIS B HB3 17 ATOM 23505 H HD1 . HIS B 1 6 ? 21.665 -6.483 1.509 1.00 0.00 ? 6 HIS B HD1 17 ATOM 23506 H HD2 . HIS B 1 6 ? 23.637 -2.857 1.989 1.00 0.00 ? 6 HIS B HD2 17 ATOM 23507 H HE1 . HIS B 1 6 ? 21.295 -5.829 3.910 1.00 0.00 ? 6 HIS B HE1 17 ATOM 23508 H HE2 . HIS B 1 6 ? 22.498 -3.631 4.178 1.00 0.00 ? 6 HIS B HE2 17 ATOM 23509 N N . GLU B 1 7 ? 22.245 -4.330 -3.114 1.00 0.00 ? 7 GLU B N 17 ATOM 23510 C CA . GLU B 1 7 ? 21.749 -3.438 -4.155 1.00 0.00 ? 7 GLU B CA 17 ATOM 23511 C C . GLU B 1 7 ? 20.474 -3.994 -4.778 1.00 0.00 ? 7 GLU B C 17 ATOM 23512 O O . GLU B 1 7 ? 19.646 -3.244 -5.295 1.00 0.00 ? 7 GLU B O 17 ATOM 23513 C CB . GLU B 1 7 ? 22.814 -3.233 -5.233 1.00 0.00 ? 7 GLU B CB 17 ATOM 23514 C CG . GLU B 1 7 ? 22.461 -2.147 -6.237 1.00 0.00 ? 7 GLU B CG 17 ATOM 23515 C CD . GLU B 1 7 ? 22.326 -2.681 -7.650 1.00 0.00 ? 7 GLU B CD 17 ATOM 23516 O OE1 . GLU B 1 7 ? 23.329 -3.195 -8.189 1.00 0.00 ? 7 GLU B OE1 17 ATOM 23517 O OE2 . GLU B 1 7 ? 21.217 -2.588 -8.217 1.00 0.00 ? 7 GLU B OE2 17 ATOM 23518 H H . GLU B 1 7 ? 23.146 -4.707 -3.195 1.00 0.00 ? 7 GLU B H 17 ATOM 23519 H HA . GLU B 1 7 ? 21.524 -2.487 -3.696 1.00 0.00 ? 7 GLU B HA 17 ATOM 23520 H HB2 . GLU B 1 7 ? 23.745 -2.965 -4.757 1.00 0.00 ? 7 GLU B HB2 17 ATOM 23521 H HB3 . GLU B 1 7 ? 22.949 -4.161 -5.770 1.00 0.00 ? 7 GLU B HB3 17 ATOM 23522 H HG2 . GLU B 1 7 ? 21.523 -1.698 -5.948 1.00 0.00 ? 7 GLU B HG2 17 ATOM 23523 H HG3 . GLU B 1 7 ? 23.238 -1.397 -6.225 1.00 0.00 ? 7 GLU B HG3 17 ATOM 23524 N N . ASN B 1 8 ? 20.317 -5.312 -4.717 1.00 0.00 ? 8 ASN B N 17 ATOM 23525 C CA . ASN B 1 8 ? 19.137 -5.964 -5.268 1.00 0.00 ? 8 ASN B CA 17 ATOM 23526 C C . ASN B 1 8 ? 17.930 -5.705 -4.377 1.00 0.00 ? 8 ASN B C 17 ATOM 23527 O O . ASN B 1 8 ? 16.925 -5.149 -4.821 1.00 0.00 ? 8 ASN B O 17 ATOM 23528 C CB . ASN B 1 8 ? 19.372 -7.469 -5.412 1.00 0.00 ? 8 ASN B CB 17 ATOM 23529 C CG . ASN B 1 8 ? 20.586 -7.786 -6.261 1.00 0.00 ? 8 ASN B CG 17 ATOM 23530 O OD1 . ASN B 1 8 ? 21.515 -6.984 -6.361 1.00 0.00 ? 8 ASN B OD1 17 ATOM 23531 N ND2 . ASN B 1 8 ? 20.585 -8.960 -6.881 1.00 0.00 ? 8 ASN B ND2 17 ATOM 23532 H H . ASN B 1 8 ? 21.008 -5.856 -4.285 1.00 0.00 ? 8 ASN B H 17 ATOM 23533 H HA . ASN B 1 8 ? 18.946 -5.540 -6.242 1.00 0.00 ? 8 ASN B HA 17 ATOM 23534 H HB2 . ASN B 1 8 ? 19.520 -7.899 -4.433 1.00 0.00 ? 8 ASN B HB2 17 ATOM 23535 H HB3 . ASN B 1 8 ? 18.506 -7.920 -5.871 1.00 0.00 ? 8 ASN B HB3 17 ATOM 23536 H HD21 . ASN B 1 8 ? 19.811 -9.548 -6.757 1.00 0.00 ? 8 ASN B HD21 17 ATOM 23537 H HD22 . ASN B 1 8 ? 21.359 -9.191 -7.438 1.00 0.00 ? 8 ASN B HD22 17 ATOM 23538 N N . GLU B 1 9 ? 18.043 -6.093 -3.112 1.00 0.00 ? 9 GLU B N 17 ATOM 23539 C CA . GLU B 1 9 ? 16.967 -5.880 -2.156 1.00 0.00 ? 9 GLU B CA 17 ATOM 23540 C C . GLU B 1 9 ? 16.615 -4.397 -2.075 1.00 0.00 ? 9 GLU B C 17 ATOM 23541 O O . GLU B 1 9 ? 15.520 -4.030 -1.651 1.00 0.00 ? 9 GLU B O 17 ATOM 23542 C CB . GLU B 1 9 ? 17.369 -6.398 -0.774 1.00 0.00 ? 9 GLU B CB 17 ATOM 23543 C CG . GLU B 1 9 ? 16.321 -7.292 -0.130 1.00 0.00 ? 9 GLU B CG 17 ATOM 23544 C CD . GLU B 1 9 ? 16.062 -6.933 1.320 1.00 0.00 ? 9 GLU B CD 17 ATOM 23545 O OE1 . GLU B 1 9 ? 16.947 -6.313 1.946 1.00 0.00 ? 9 GLU B OE1 17 ATOM 23546 O OE2 . GLU B 1 9 ? 14.974 -7.274 1.830 1.00 0.00 ? 9 GLU B OE2 17 ATOM 23547 H H . GLU B 1 9 ? 18.874 -6.517 -2.811 1.00 0.00 ? 9 GLU B H 17 ATOM 23548 H HA . GLU B 1 9 ? 16.101 -6.425 -2.500 1.00 0.00 ? 9 GLU B HA 17 ATOM 23549 H HB2 . GLU B 1 9 ? 18.284 -6.964 -0.867 1.00 0.00 ? 9 GLU B HB2 17 ATOM 23550 H HB3 . GLU B 1 9 ? 17.542 -5.555 -0.122 1.00 0.00 ? 9 GLU B HB3 17 ATOM 23551 H HG2 . GLU B 1 9 ? 15.396 -7.194 -0.679 1.00 0.00 ? 9 GLU B HG2 17 ATOM 23552 H HG3 . GLU B 1 9 ? 16.660 -8.315 -0.178 1.00 0.00 ? 9 GLU B HG3 17 ATOM 23553 N N . ILE B 1 10 ? 17.555 -3.547 -2.489 1.00 0.00 ? 10 ILE B N 17 ATOM 23554 C CA . ILE B 1 10 ? 17.349 -2.108 -2.468 1.00 0.00 ? 10 ILE B CA 17 ATOM 23555 C C . ILE B 1 10 ? 16.373 -1.689 -3.576 1.00 0.00 ? 10 ILE B C 17 ATOM 23556 O O . ILE B 1 10 ? 15.355 -1.054 -3.312 1.00 0.00 ? 10 ILE B O 17 ATOM 23557 C CB . ILE B 1 10 ? 18.722 -1.363 -2.576 1.00 0.00 ? 10 ILE B CB 17 ATOM 23558 C CG1 . ILE B 1 10 ? 18.932 -0.465 -1.357 1.00 0.00 ? 10 ILE B CG1 17 ATOM 23559 C CG2 . ILE B 1 10 ? 18.879 -0.548 -3.863 1.00 0.00 ? 10 ILE B CG2 17 ATOM 23560 C CD1 . ILE B 1 10 ? 20.220 -0.755 -0.616 1.00 0.00 ? 10 ILE B CD1 17 ATOM 23561 H H . ILE B 1 10 ? 18.409 -3.896 -2.817 1.00 0.00 ? 10 ILE B H 17 ATOM 23562 H HA . ILE B 1 10 ? 16.905 -1.859 -1.515 1.00 0.00 ? 10 ILE B HA 17 ATOM 23563 H HB . ILE B 1 10 ? 19.497 -2.114 -2.578 1.00 0.00 ? 10 ILE B HB 17 ATOM 23564 H HG12 . ILE B 1 10 ? 18.957 0.566 -1.675 1.00 0.00 ? 10 ILE B HG12 17 ATOM 23565 H HG13 . ILE B 1 10 ? 18.113 -0.605 -0.666 1.00 0.00 ? 10 ILE B HG13 17 ATOM 23566 H HG21 . ILE B 1 10 ? 18.005 0.069 -4.008 1.00 0.00 ? 10 ILE B HG21 17 ATOM 23567 H HG22 . ILE B 1 10 ? 19.753 0.081 -3.787 1.00 0.00 ? 10 ILE B HG22 17 ATOM 23568 H HG23 . ILE B 1 10 ? 18.990 -1.219 -4.702 1.00 0.00 ? 10 ILE B HG23 17 ATOM 23569 H HD11 . ILE B 1 10 ? 20.694 -1.625 -1.049 1.00 0.00 ? 10 ILE B HD11 17 ATOM 23570 H HD12 . ILE B 1 10 ? 20.882 0.094 -0.700 1.00 0.00 ? 10 ILE B HD12 17 ATOM 23571 H HD13 . ILE B 1 10 ? 20.004 -0.943 0.425 1.00 0.00 ? 10 ILE B HD13 17 ATOM 23572 N N . SER B 1 11 ? 16.696 -2.055 -4.812 1.00 0.00 ? 11 SER B N 17 ATOM 23573 C CA . SER B 1 11 ? 15.849 -1.718 -5.950 1.00 0.00 ? 11 SER B CA 17 ATOM 23574 C C . SER B 1 11 ? 14.468 -2.347 -5.798 1.00 0.00 ? 11 SER B C 17 ATOM 23575 O O . SER B 1 11 ? 13.483 -1.850 -6.347 1.00 0.00 ? 11 SER B O 17 ATOM 23576 C CB . SER B 1 11 ? 16.497 -2.188 -7.253 1.00 0.00 ? 11 SER B CB 17 ATOM 23577 O OG . SER B 1 11 ? 16.199 -1.302 -8.319 1.00 0.00 ? 11 SER B OG 17 ATOM 23578 H H . SER B 1 11 ? 17.522 -2.565 -4.963 1.00 0.00 ? 11 SER B H 17 ATOM 23579 H HA . SER B 1 11 ? 15.741 -0.645 -5.977 1.00 0.00 ? 11 SER B HA 17 ATOM 23580 H HB2 . SER B 1 11 ? 17.569 -2.229 -7.126 1.00 0.00 ? 11 SER B HB2 17 ATOM 23581 H HB3 . SER B 1 11 ? 16.126 -3.171 -7.504 1.00 0.00 ? 11 SER B HB3 17 ATOM 23582 H HG . SER B 1 11 ? 15.979 -1.809 -9.104 1.00 0.00 ? 11 SER B HG 17 ATOM 23583 N N . HIS B 1 12 ? 14.402 -3.442 -5.049 1.00 0.00 ? 12 HIS B N 17 ATOM 23584 C CA . HIS B 1 12 ? 13.144 -4.138 -4.825 1.00 0.00 ? 12 HIS B CA 17 ATOM 23585 C C . HIS B 1 12 ? 12.258 -3.339 -3.865 1.00 0.00 ? 12 HIS B C 17 ATOM 23586 O O . HIS B 1 12 ? 11.078 -3.121 -4.139 1.00 0.00 ? 12 HIS B O 17 ATOM 23587 C CB . HIS B 1 12 ? 13.428 -5.572 -4.320 1.00 0.00 ? 12 HIS B CB 17 ATOM 23588 C CG . HIS B 1 12 ? 12.583 -6.042 -3.169 1.00 0.00 ? 12 HIS B CG 17 ATOM 23589 N ND1 . HIS B 1 12 ? 11.366 -6.671 -3.330 1.00 0.00 ? 12 HIS B ND1 17 ATOM 23590 C CD2 . HIS B 1 12 ? 12.793 -5.967 -1.836 1.00 0.00 ? 12 HIS B CD2 17 ATOM 23591 C CE1 . HIS B 1 12 ? 10.863 -6.961 -2.143 1.00 0.00 ? 12 HIS B CE1 17 ATOM 23592 N NE2 . HIS B 1 12 ? 11.711 -6.545 -1.220 1.00 0.00 ? 12 HIS B NE2 17 ATOM 23593 H H . HIS B 1 12 ? 15.219 -3.791 -4.635 1.00 0.00 ? 12 HIS B H 17 ATOM 23594 H HA . HIS B 1 12 ? 12.637 -4.199 -5.778 1.00 0.00 ? 12 HIS B HA 17 ATOM 23595 H HB2 . HIS B 1 12 ? 13.271 -6.262 -5.135 1.00 0.00 ? 12 HIS B HB2 17 ATOM 23596 H HB3 . HIS B 1 12 ? 14.462 -5.630 -4.012 1.00 0.00 ? 12 HIS B HB3 17 ATOM 23597 H HD1 . HIS B 1 12 ? 10.935 -6.873 -4.186 1.00 0.00 ? 12 HIS B HD1 17 ATOM 23598 H HD2 . HIS B 1 12 ? 13.655 -5.532 -1.348 1.00 0.00 ? 12 HIS B HD2 17 ATOM 23599 H HE1 . HIS B 1 12 ? 9.921 -7.456 -1.958 1.00 0.00 ? 12 HIS B HE1 17 ATOM 23600 H HE2 . HIS B 1 12 ? 11.585 -6.635 -0.252 1.00 0.00 ? 12 HIS B HE2 17 ATOM 23601 N N . HIS B 1 13 ? 12.829 -2.897 -2.747 1.00 0.00 ? 13 HIS B N 17 ATOM 23602 C CA . HIS B 1 13 ? 12.069 -2.120 -1.778 1.00 0.00 ? 13 HIS B CA 17 ATOM 23603 C C . HIS B 1 13 ? 11.542 -0.846 -2.421 1.00 0.00 ? 13 HIS B C 17 ATOM 23604 O O . HIS B 1 13 ? 10.494 -0.339 -2.036 1.00 0.00 ? 13 HIS B O 17 ATOM 23605 C CB . HIS B 1 13 ? 12.925 -1.754 -0.568 1.00 0.00 ? 13 HIS B CB 17 ATOM 23606 C CG . HIS B 1 13 ? 13.462 -2.925 0.185 1.00 0.00 ? 13 HIS B CG 17 ATOM 23607 N ND1 . HIS B 1 13 ? 12.818 -4.141 0.267 1.00 0.00 ? 13 HIS B ND1 17 ATOM 23608 C CD2 . HIS B 1 13 ? 14.595 -3.048 0.903 1.00 0.00 ? 13 HIS B CD2 17 ATOM 23609 C CE1 . HIS B 1 13 ? 13.537 -4.965 1.011 1.00 0.00 ? 13 HIS B CE1 17 ATOM 23610 N NE2 . HIS B 1 13 ? 14.622 -4.325 1.407 1.00 0.00 ? 13 HIS B NE2 17 ATOM 23611 H H . HIS B 1 13 ? 13.776 -3.090 -2.575 1.00 0.00 ? 13 HIS B H 17 ATOM 23612 H HA . HIS B 1 13 ? 11.232 -2.720 -1.452 1.00 0.00 ? 13 HIS B HA 17 ATOM 23613 H HB2 . HIS B 1 13 ? 13.765 -1.167 -0.897 1.00 0.00 ? 13 HIS B HB2 17 ATOM 23614 H HB3 . HIS B 1 13 ? 12.329 -1.166 0.116 1.00 0.00 ? 13 HIS B HB3 17 ATOM 23615 H HD1 . HIS B 1 13 ? 11.962 -4.367 -0.153 1.00 0.00 ? 13 HIS B HD1 17 ATOM 23616 H HD2 . HIS B 1 13 ? 15.338 -2.279 1.052 1.00 0.00 ? 13 HIS B HD2 17 ATOM 23617 H HE1 . HIS B 1 13 ? 13.282 -5.987 1.250 1.00 0.00 ? 13 HIS B HE1 17 ATOM 23618 H HE2 . HIS B 1 13 ? 15.329 -4.703 1.971 1.00 0.00 ? 13 HIS B HE2 17 ATOM 23619 N N . ALA B 1 14 ? 12.281 -0.332 -3.399 1.00 0.00 ? 14 ALA B N 17 ATOM 23620 C CA . ALA B 1 14 ? 11.887 0.887 -4.094 1.00 0.00 ? 14 ALA B CA 17 ATOM 23621 C C . ALA B 1 14 ? 10.602 0.661 -4.870 1.00 0.00 ? 14 ALA B C 17 ATOM 23622 O O . ALA B 1 14 ? 9.614 1.367 -4.673 1.00 0.00 ? 14 ALA B O 17 ATOM 23623 C CB . ALA B 1 14 ? 12.998 1.354 -5.022 1.00 0.00 ? 14 ALA B CB 17 ATOM 23624 H H . ALA B 1 14 ? 13.113 -0.782 -3.659 1.00 0.00 ? 14 ALA B H 17 ATOM 23625 H HA . ALA B 1 14 ? 11.718 1.655 -3.351 1.00 0.00 ? 14 ALA B HA 17 ATOM 23626 H HB1 . ALA B 1 14 ? 13.888 0.769 -4.840 1.00 0.00 ? 14 ALA B HB1 17 ATOM 23627 H HB2 . ALA B 1 14 ? 12.688 1.227 -6.048 1.00 0.00 ? 14 ALA B HB2 17 ATOM 23628 H HB3 . ALA B 1 14 ? 13.208 2.397 -4.835 1.00 0.00 ? 14 ALA B HB3 17 ATOM 23629 N N . LYS B 1 15 ? 10.613 -0.338 -5.744 1.00 0.00 ? 15 LYS B N 17 ATOM 23630 C CA . LYS B 1 15 ? 9.433 -0.663 -6.530 1.00 0.00 ? 15 LYS B CA 17 ATOM 23631 C C . LYS B 1 15 ? 8.294 -1.115 -5.618 1.00 0.00 ? 15 LYS B C 17 ATOM 23632 O O . LYS B 1 15 ? 7.136 -1.158 -6.035 1.00 0.00 ? 15 LYS B O 17 ATOM 23633 C CB . LYS B 1 15 ? 9.754 -1.755 -7.551 1.00 0.00 ? 15 LYS B CB 17 ATOM 23634 C CG . LYS B 1 15 ? 9.652 -1.287 -8.994 1.00 0.00 ? 15 LYS B CG 17 ATOM 23635 C CD . LYS B 1 15 ? 10.404 -2.214 -9.934 1.00 0.00 ? 15 LYS B CD 17 ATOM 23636 C CE . LYS B 1 15 ? 11.898 -1.931 -9.920 1.00 0.00 ? 15 LYS B CE 17 ATOM 23637 N NZ . LYS B 1 15 ? 12.701 -3.184 -9.859 1.00 0.00 ? 15 LYS B NZ 17 ATOM 23638 H H . LYS B 1 15 ? 11.426 -0.878 -5.850 1.00 0.00 ? 15 LYS B H 17 ATOM 23639 H HA . LYS B 1 15 ? 9.126 0.232 -7.052 1.00 0.00 ? 15 LYS B HA 17 ATOM 23640 H HB2 . LYS B 1 15 ? 10.761 -2.106 -7.380 1.00 0.00 ? 15 LYS B HB2 17 ATOM 23641 H HB3 . LYS B 1 15 ? 9.066 -2.576 -7.413 1.00 0.00 ? 15 LYS B HB3 17 ATOM 23642 H HG2 . LYS B 1 15 ? 8.613 -1.264 -9.283 1.00 0.00 ? 15 LYS B HG2 17 ATOM 23643 H HG3 . LYS B 1 15 ? 10.071 -0.295 -9.070 1.00 0.00 ? 15 LYS B HG3 17 ATOM 23644 H HD2 . LYS B 1 15 ? 10.240 -3.236 -9.625 1.00 0.00 ? 15 LYS B HD2 17 ATOM 23645 H HD3 . LYS B 1 15 ? 10.030 -2.076 -10.937 1.00 0.00 ? 15 LYS B HD3 17 ATOM 23646 H HE2 . LYS B 1 15 ? 12.158 -1.392 -10.820 1.00 0.00 ? 15 LYS B HE2 17 ATOM 23647 H HE3 . LYS B 1 15 ? 12.128 -1.322 -9.058 1.00 0.00 ? 15 LYS B HE3 17 ATOM 23648 H HZ1 . LYS B 1 15 ? 12.471 -3.797 -10.665 1.00 0.00 ? 15 LYS B HZ1 17 ATOM 23649 H HZ2 . LYS B 1 15 ? 13.716 -2.958 -9.887 1.00 0.00 ? 15 LYS B HZ2 17 ATOM 23650 H HZ3 . LYS B 1 15 ? 12.495 -3.697 -8.978 1.00 0.00 ? 15 LYS B HZ3 17 ATOM 23651 N N . GLU B 1 16 ? 8.629 -1.452 -4.372 1.00 0.00 ? 16 GLU B N 17 ATOM 23652 C CA . GLU B 1 16 ? 7.633 -1.898 -3.409 1.00 0.00 ? 16 GLU B CA 17 ATOM 23653 C C . GLU B 1 16 ? 6.948 -0.710 -2.743 1.00 0.00 ? 16 GLU B C 17 ATOM 23654 O O . GLU B 1 16 ? 5.764 -0.777 -2.417 1.00 0.00 ? 16 GLU B O 17 ATOM 23655 C CB . GLU B 1 16 ? 8.280 -2.790 -2.349 1.00 0.00 ? 16 GLU B CB 17 ATOM 23656 C CG . GLU B 1 16 ? 8.821 -4.098 -2.903 1.00 0.00 ? 16 GLU B CG 17 ATOM 23657 C CD . GLU B 1 16 ? 7.952 -5.287 -2.545 1.00 0.00 ? 16 GLU B CD 17 ATOM 23658 O OE1 . GLU B 1 16 ? 7.165 -5.179 -1.581 1.00 0.00 ? 16 GLU B OE1 17 ATOM 23659 O OE2 . GLU B 1 16 ? 8.058 -6.328 -3.228 1.00 0.00 ? 16 GLU B OE2 17 ATOM 23660 H H . GLU B 1 16 ? 9.565 -1.400 -4.093 1.00 0.00 ? 16 GLU B H 17 ATOM 23661 H HA . GLU B 1 16 ? 6.890 -2.470 -3.944 1.00 0.00 ? 16 GLU B HA 17 ATOM 23662 H HB2 . GLU B 1 16 ? 9.097 -2.253 -1.891 1.00 0.00 ? 16 GLU B HB2 17 ATOM 23663 H HB3 . GLU B 1 16 ? 7.545 -3.022 -1.593 1.00 0.00 ? 16 GLU B HB3 17 ATOM 23664 H HG2 . GLU B 1 16 ? 8.877 -4.023 -3.978 1.00 0.00 ? 16 GLU B HG2 17 ATOM 23665 H HG3 . GLU B 1 16 ? 9.812 -4.262 -2.502 1.00 0.00 ? 16 GLU B HG3 17 ATOM 23666 N N . ILE B 1 17 ? 7.689 0.378 -2.541 1.00 0.00 ? 17 ILE B N 17 ATOM 23667 C CA . ILE B 1 17 ? 7.121 1.566 -1.916 1.00 0.00 ? 17 ILE B CA 17 ATOM 23668 C C . ILE B 1 17 ? 6.240 2.326 -2.910 1.00 0.00 ? 17 ILE B C 17 ATOM 23669 O O . ILE B 1 17 ? 5.192 2.861 -2.547 1.00 0.00 ? 17 ILE B O 17 ATOM 23670 C CB . ILE B 1 17 ? 8.225 2.493 -1.336 1.00 0.00 ? 17 ILE B CB 17 ATOM 23671 C CG1 . ILE B 1 17 ? 8.814 3.426 -2.406 1.00 0.00 ? 17 ILE B CG1 17 ATOM 23672 C CG2 . ILE B 1 17 ? 9.332 1.660 -0.714 1.00 0.00 ? 17 ILE B CG2 17 ATOM 23673 C CD1 . ILE B 1 17 ? 8.049 4.723 -2.562 1.00 0.00 ? 17 ILE B CD1 17 ATOM 23674 H H . ILE B 1 17 ? 8.634 0.385 -2.821 1.00 0.00 ? 17 ILE B H 17 ATOM 23675 H HA . ILE B 1 17 ? 6.497 1.236 -1.097 1.00 0.00 ? 17 ILE B HA 17 ATOM 23676 H HB . ILE B 1 17 ? 7.783 3.086 -0.551 1.00 0.00 ? 17 ILE B HB 17 ATOM 23677 H HG12 . ILE B 1 17 ? 9.830 3.672 -2.139 1.00 0.00 ? 17 ILE B HG12 17 ATOM 23678 H HG13 . ILE B 1 17 ? 8.808 2.919 -3.359 1.00 0.00 ? 17 ILE B HG13 17 ATOM 23679 H HG21 . ILE B 1 17 ? 9.034 0.623 -0.688 1.00 0.00 ? 17 ILE B HG21 17 ATOM 23680 H HG22 . ILE B 1 17 ? 10.232 1.761 -1.302 1.00 0.00 ? 17 ILE B HG22 17 ATOM 23681 H HG23 . ILE B 1 17 ? 9.520 2.005 0.289 1.00 0.00 ? 17 ILE B HG23 17 ATOM 23682 H HD11 . ILE B 1 17 ? 7.158 4.692 -1.952 1.00 0.00 ? 17 ILE B HD11 17 ATOM 23683 H HD12 . ILE B 1 17 ? 8.671 5.548 -2.249 1.00 0.00 ? 17 ILE B HD12 17 ATOM 23684 H HD13 . ILE B 1 17 ? 7.771 4.854 -3.597 1.00 0.00 ? 17 ILE B HD13 17 ATOM 23685 N N . GLU B 1 18 ? 6.674 2.356 -4.168 1.00 0.00 ? 18 GLU B N 17 ATOM 23686 C CA . GLU B 1 18 ? 5.926 3.035 -5.217 1.00 0.00 ? 18 GLU B CA 17 ATOM 23687 C C . GLU B 1 18 ? 4.740 2.188 -5.658 1.00 0.00 ? 18 GLU B C 17 ATOM 23688 O O . GLU B 1 18 ? 3.653 2.706 -5.919 1.00 0.00 ? 18 GLU B O 17 ATOM 23689 C CB . GLU B 1 18 ? 6.833 3.333 -6.412 1.00 0.00 ? 18 GLU B CB 17 ATOM 23690 C CG . GLU B 1 18 ? 6.374 4.518 -7.244 1.00 0.00 ? 18 GLU B CG 17 ATOM 23691 C CD . GLU B 1 18 ? 7.394 4.926 -8.290 1.00 0.00 ? 18 GLU B CD 17 ATOM 23692 O OE1 . GLU B 1 18 ? 8.505 5.347 -7.903 1.00 0.00 ? 18 GLU B OE1 17 ATOM 23693 O OE2 . GLU B 1 18 ? 7.082 4.824 -9.495 1.00 0.00 ? 18 GLU B OE2 17 ATOM 23694 H H . GLU B 1 18 ? 7.513 1.901 -4.397 1.00 0.00 ? 18 GLU B H 17 ATOM 23695 H HA . GLU B 1 18 ? 5.558 3.967 -4.812 1.00 0.00 ? 18 GLU B HA 17 ATOM 23696 H HB2 . GLU B 1 18 ? 7.830 3.538 -6.050 1.00 0.00 ? 18 GLU B HB2 17 ATOM 23697 H HB3 . GLU B 1 18 ? 6.864 2.462 -7.050 1.00 0.00 ? 18 GLU B HB3 17 ATOM 23698 H HG2 . GLU B 1 18 ? 5.454 4.255 -7.745 1.00 0.00 ? 18 GLU B HG2 17 ATOM 23699 H HG3 . GLU B 1 18 ? 6.198 5.357 -6.587 1.00 0.00 ? 18 GLU B HG3 17 ATOM 23700 N N . ARG B 1 19 ? 4.954 0.878 -5.732 1.00 0.00 ? 19 ARG B N 17 ATOM 23701 C CA . ARG B 1 19 ? 3.900 -0.045 -6.131 1.00 0.00 ? 19 ARG B CA 17 ATOM 23702 C C . ARG B 1 19 ? 2.883 -0.205 -5.009 1.00 0.00 ? 19 ARG B C 17 ATOM 23703 O O . ARG B 1 19 ? 1.712 -0.494 -5.254 1.00 0.00 ? 19 ARG B O 17 ATOM 23704 C CB . ARG B 1 19 ? 4.494 -1.405 -6.501 1.00 0.00 ? 19 ARG B CB 17 ATOM 23705 C CG . ARG B 1 19 ? 3.485 -2.364 -7.112 1.00 0.00 ? 19 ARG B CG 17 ATOM 23706 C CD . ARG B 1 19 ? 3.872 -3.813 -6.864 1.00 0.00 ? 19 ARG B CD 17 ATOM 23707 N NE . ARG B 1 19 ? 2.705 -4.666 -6.670 1.00 0.00 ? 19 ARG B NE 17 ATOM 23708 C CZ . ARG B 1 19 ? 2.778 -5.973 -6.438 1.00 0.00 ? 19 ARG B CZ 17 ATOM 23709 N NH1 . ARG B 1 19 ? 3.960 -6.571 -6.371 1.00 0.00 ? 19 ARG B NH1 17 ATOM 23710 N NH2 . ARG B 1 19 ? 1.671 -6.683 -6.272 1.00 0.00 ? 19 ARG B NH2 17 ATOM 23711 H H . ARG B 1 19 ? 5.839 0.521 -5.503 1.00 0.00 ? 19 ARG B H 17 ATOM 23712 H HA . ARG B 1 19 ? 3.404 0.372 -6.995 1.00 0.00 ? 19 ARG B HA 17 ATOM 23713 H HB2 . ARG B 1 19 ? 5.293 -1.255 -7.213 1.00 0.00 ? 19 ARG B HB2 17 ATOM 23714 H HB3 . ARG B 1 19 ? 4.898 -1.863 -5.610 1.00 0.00 ? 19 ARG B HB3 17 ATOM 23715 H HG2 . ARG B 1 19 ? 2.517 -2.181 -6.673 1.00 0.00 ? 19 ARG B HG2 17 ATOM 23716 H HG3 . ARG B 1 19 ? 3.438 -2.191 -8.178 1.00 0.00 ? 19 ARG B HG3 17 ATOM 23717 H HD2 . ARG B 1 19 ? 4.433 -4.173 -7.715 1.00 0.00 ? 19 ARG B HD2 17 ATOM 23718 H HD3 . ARG B 1 19 ? 4.492 -3.859 -5.981 1.00 0.00 ? 19 ARG B HD3 17 ATOM 23719 H HE . ARG B 1 19 ? 1.821 -4.245 -6.715 1.00 0.00 ? 19 ARG B HE 17 ATOM 23720 H HH11 . ARG B 1 19 ? 4.797 -6.039 -6.496 1.00 0.00 ? 19 ARG B HH11 17 ATOM 23721 H HH12 . ARG B 1 19 ? 4.014 -7.555 -6.197 1.00 0.00 ? 19 ARG B HH12 17 ATOM 23722 H HH21 . ARG B 1 19 ? 0.778 -6.234 -6.322 1.00 0.00 ? 19 ARG B HH21 17 ATOM 23723 H HH22 . ARG B 1 19 ? 1.728 -7.666 -6.097 1.00 0.00 ? 19 ARG B HH22 17 ATOM 23724 N N . LEU B 1 20 ? 3.338 -0.004 -3.776 1.00 0.00 ? 20 LEU B N 17 ATOM 23725 C CA . LEU B 1 20 ? 2.467 -0.113 -2.616 1.00 0.00 ? 20 LEU B CA 17 ATOM 23726 C C . LEU B 1 20 ? 1.514 1.072 -2.560 1.00 0.00 ? 20 LEU B C 17 ATOM 23727 O O . LEU B 1 20 ? 0.329 0.917 -2.266 1.00 0.00 ? 20 LEU B O 17 ATOM 23728 C CB . LEU B 1 20 ? 3.297 -0.183 -1.332 1.00 0.00 ? 20 LEU B CB 17 ATOM 23729 C CG . LEU B 1 20 ? 3.713 -1.592 -0.904 1.00 0.00 ? 20 LEU B CG 17 ATOM 23730 C CD1 . LEU B 1 20 ? 4.880 -1.531 0.069 1.00 0.00 ? 20 LEU B CD1 17 ATOM 23731 C CD2 . LEU B 1 20 ? 2.536 -2.329 -0.285 1.00 0.00 ? 20 LEU B CD2 17 ATOM 23732 H H . LEU B 1 20 ? 4.279 0.234 -3.646 1.00 0.00 ? 20 LEU B H 17 ATOM 23733 H HA . LEU B 1 20 ? 1.891 -1.022 -2.715 1.00 0.00 ? 20 LEU B HA 17 ATOM 23734 H HB2 . LEU B 1 20 ? 4.190 0.407 -1.474 1.00 0.00 ? 20 LEU B HB2 17 ATOM 23735 H HB3 . LEU B 1 20 ? 2.721 0.255 -0.533 1.00 0.00 ? 20 LEU B HB3 17 ATOM 23736 H HG . LEU B 1 20 ? 4.034 -2.144 -1.775 1.00 0.00 ? 20 LEU B HG 17 ATOM 23737 H HD11 . LEU B 1 20 ? 5.134 -0.500 0.262 1.00 0.00 ? 20 LEU B HD11 17 ATOM 23738 H HD12 . LEU B 1 20 ? 4.601 -2.012 0.995 1.00 0.00 ? 20 LEU B HD12 17 ATOM 23739 H HD13 . LEU B 1 20 ? 5.732 -2.039 -0.358 1.00 0.00 ? 20 LEU B HD13 17 ATOM 23740 H HD21 . LEU B 1 20 ? 1.843 -1.613 0.133 1.00 0.00 ? 20 LEU B HD21 17 ATOM 23741 H HD22 . LEU B 1 20 ? 2.035 -2.912 -1.044 1.00 0.00 ? 20 LEU B HD22 17 ATOM 23742 H HD23 . LEU B 1 20 ? 2.891 -2.984 0.496 1.00 0.00 ? 20 LEU B HD23 17 ATOM 23743 N N . GLN B 1 21 ? 2.041 2.258 -2.852 1.00 0.00 ? 21 GLN B N 17 ATOM 23744 C CA . GLN B 1 21 ? 1.238 3.474 -2.844 1.00 0.00 ? 21 GLN B CA 17 ATOM 23745 C C . GLN B 1 21 ? 0.135 3.394 -3.894 1.00 0.00 ? 21 GLN B C 17 ATOM 23746 O O . GLN B 1 21 ? -1.023 3.713 -3.620 1.00 0.00 ? 21 GLN B O 17 ATOM 23747 C CB . GLN B 1 21 ? 2.120 4.696 -3.103 1.00 0.00 ? 21 GLN B CB 17 ATOM 23748 C CG . GLN B 1 21 ? 1.358 6.011 -3.089 1.00 0.00 ? 21 GLN B CG 17 ATOM 23749 C CD . GLN B 1 21 ? 2.219 7.179 -2.650 1.00 0.00 ? 21 GLN B CD 17 ATOM 23750 O OE1 . GLN B 1 21 ? 2.036 7.725 -1.561 1.00 0.00 ? 21 GLN B OE1 17 ATOM 23751 N NE2 . GLN B 1 21 ? 3.164 7.569 -3.496 1.00 0.00 ? 21 GLN B NE2 17 ATOM 23752 H H . GLN B 1 21 ? 2.993 2.316 -3.083 1.00 0.00 ? 21 GLN B H 17 ATOM 23753 H HA . GLN B 1 21 ? 0.785 3.567 -1.868 1.00 0.00 ? 21 GLN B HA 17 ATOM 23754 H HB2 . GLN B 1 21 ? 2.886 4.740 -2.343 1.00 0.00 ? 21 GLN B HB2 17 ATOM 23755 H HB3 . GLN B 1 21 ? 2.589 4.588 -4.069 1.00 0.00 ? 21 GLN B HB3 17 ATOM 23756 H HG2 . GLN B 1 21 ? 0.989 6.210 -4.084 1.00 0.00 ? 21 GLN B HG2 17 ATOM 23757 H HG3 . GLN B 1 21 ? 0.523 5.921 -2.408 1.00 0.00 ? 21 GLN B HG3 17 ATOM 23758 H HE21 . GLN B 1 21 ? 3.252 7.087 -4.346 1.00 0.00 ? 21 GLN B HE21 17 ATOM 23759 H HE22 . GLN B 1 21 ? 3.736 8.321 -3.239 1.00 0.00 ? 21 GLN B HE22 17 ATOM 23760 N N . LYS B 1 22 ? 0.499 2.963 -5.098 1.00 0.00 ? 22 LYS B N 17 ATOM 23761 C CA . LYS B 1 22 ? -0.464 2.839 -6.185 1.00 0.00 ? 22 LYS B CA 17 ATOM 23762 C C . LYS B 1 22 ? -1.533 1.807 -5.843 1.00 0.00 ? 22 LYS B C 17 ATOM 23763 O O . LYS B 1 22 ? -2.692 1.940 -6.237 1.00 0.00 ? 22 LYS B O 17 ATOM 23764 C CB . LYS B 1 22 ? 0.245 2.446 -7.482 1.00 0.00 ? 22 LYS B CB 17 ATOM 23765 C CG . LYS B 1 22 ? -0.560 2.754 -8.734 1.00 0.00 ? 22 LYS B CG 17 ATOM 23766 C CD . LYS B 1 22 ? -0.382 1.675 -9.790 1.00 0.00 ? 22 LYS B CD 17 ATOM 23767 C CE . LYS B 1 22 ? -0.987 0.354 -9.343 1.00 0.00 ? 22 LYS B CE 17 ATOM 23768 N NZ . LYS B 1 22 ? -2.070 -0.098 -10.258 1.00 0.00 ? 22 LYS B NZ 17 ATOM 23769 H H . LYS B 1 22 ? 1.436 2.720 -5.257 1.00 0.00 ? 22 LYS B H 17 ATOM 23770 H HA . LYS B 1 22 ? -0.938 3.800 -6.321 1.00 0.00 ? 22 LYS B HA 17 ATOM 23771 H HB2 . LYS B 1 22 ? 1.183 2.979 -7.542 1.00 0.00 ? 22 LYS B HB2 17 ATOM 23772 H HB3 . LYS B 1 22 ? 0.446 1.385 -7.462 1.00 0.00 ? 22 LYS B HB3 17 ATOM 23773 H HG2 . LYS B 1 22 ? -1.604 2.818 -8.472 1.00 0.00 ? 22 LYS B HG2 17 ATOM 23774 H HG3 . LYS B 1 22 ? -0.229 3.700 -9.138 1.00 0.00 ? 22 LYS B HG3 17 ATOM 23775 H HD2 . LYS B 1 22 ? -0.869 1.993 -10.700 1.00 0.00 ? 22 LYS B HD2 17 ATOM 23776 H HD3 . LYS B 1 22 ? 0.673 1.535 -9.973 1.00 0.00 ? 22 LYS B HD3 17 ATOM 23777 H HE2 . LYS B 1 22 ? -0.209 -0.395 -9.323 1.00 0.00 ? 22 LYS B HE2 17 ATOM 23778 H HE3 . LYS B 1 22 ? -1.393 0.477 -8.349 1.00 0.00 ? 22 LYS B HE3 17 ATOM 23779 H HZ1 . LYS B 1 22 ? -2.776 0.656 -10.378 1.00 0.00 ? 22 LYS B HZ1 17 ATOM 23780 H HZ2 . LYS B 1 22 ? -1.674 -0.339 -11.190 1.00 0.00 ? 22 LYS B HZ2 17 ATOM 23781 H HZ3 . LYS B 1 22 ? -2.542 -0.939 -9.867 1.00 0.00 ? 22 LYS B HZ3 17 ATOM 23782 N N . GLU B 1 23 ? -1.133 0.777 -5.104 1.00 0.00 ? 23 GLU B N 17 ATOM 23783 C CA . GLU B 1 23 ? -2.052 -0.281 -4.706 1.00 0.00 ? 23 GLU B CA 17 ATOM 23784 C C . GLU B 1 23 ? -3.087 0.239 -3.714 1.00 0.00 ? 23 GLU B C 17 ATOM 23785 O O . GLU B 1 23 ? -4.253 -0.158 -3.752 1.00 0.00 ? 23 GLU B O 17 ATOM 23786 C CB . GLU B 1 23 ? -1.281 -1.449 -4.089 1.00 0.00 ? 23 GLU B CB 17 ATOM 23787 C CG . GLU B 1 23 ? -2.103 -2.720 -3.956 1.00 0.00 ? 23 GLU B CG 17 ATOM 23788 C CD . GLU B 1 23 ? -1.244 -3.954 -3.763 1.00 0.00 ? 23 GLU B CD 17 ATOM 23789 O OE1 . GLU B 1 23 ? -0.450 -4.273 -4.674 1.00 0.00 ? 23 GLU B OE1 17 ATOM 23790 O OE2 . GLU B 1 23 ? -1.364 -4.602 -2.702 1.00 0.00 ? 23 GLU B OE2 17 ATOM 23791 H H . GLU B 1 23 ? -0.195 0.727 -4.821 1.00 0.00 ? 23 GLU B H 17 ATOM 23792 H HA . GLU B 1 23 ? -2.562 -0.628 -5.592 1.00 0.00 ? 23 GLU B HA 17 ATOM 23793 H HB2 . GLU B 1 23 ? -0.422 -1.665 -4.707 1.00 0.00 ? 23 GLU B HB2 17 ATOM 23794 H HB3 . GLU B 1 23 ? -0.941 -1.162 -3.105 1.00 0.00 ? 23 GLU B HB3 17 ATOM 23795 H HG2 . GLU B 1 23 ? -2.760 -2.622 -3.106 1.00 0.00 ? 23 GLU B HG2 17 ATOM 23796 H HG3 . GLU B 1 23 ? -2.693 -2.847 -4.852 1.00 0.00 ? 23 GLU B HG3 17 ATOM 23797 N N . ILE B 1 24 ? -2.659 1.133 -2.828 1.00 0.00 ? 24 ILE B N 17 ATOM 23798 C CA . ILE B 1 24 ? -3.562 1.701 -1.833 1.00 0.00 ? 24 ILE B CA 17 ATOM 23799 C C . ILE B 1 24 ? -4.650 2.530 -2.519 1.00 0.00 ? 24 ILE B C 17 ATOM 23800 O O . ILE B 1 24 ? -5.821 2.474 -2.143 1.00 0.00 ? 24 ILE B O 17 ATOM 23801 C CB . ILE B 1 24 ? -2.806 2.548 -0.756 1.00 0.00 ? 24 ILE B CB 17 ATOM 23802 C CG1 . ILE B 1 24 ? -2.742 4.039 -1.118 1.00 0.00 ? 24 ILE B CG1 17 ATOM 23803 C CG2 . ILE B 1 24 ? -1.400 2.009 -0.536 1.00 0.00 ? 24 ILE B CG2 17 ATOM 23804 C CD1 . ILE B 1 24 ? -3.992 4.799 -0.729 1.00 0.00 ? 24 ILE B CD1 17 ATOM 23805 H H . ILE B 1 24 ? -1.722 1.417 -2.848 1.00 0.00 ? 24 ILE B H 17 ATOM 23806 H HA . ILE B 1 24 ? -4.040 0.872 -1.326 1.00 0.00 ? 24 ILE B HA 17 ATOM 23807 H HB . ILE B 1 24 ? -3.342 2.442 0.176 1.00 0.00 ? 24 ILE B HB 17 ATOM 23808 H HG12 . ILE B 1 24 ? -1.905 4.493 -0.608 1.00 0.00 ? 24 ILE B HG12 17 ATOM 23809 H HG13 . ILE B 1 24 ? -2.608 4.141 -2.184 1.00 0.00 ? 24 ILE B HG13 17 ATOM 23810 H HG21 . ILE B 1 24 ? -1.382 0.951 -0.743 1.00 0.00 ? 24 ILE B HG21 17 ATOM 23811 H HG22 . ILE B 1 24 ? -0.714 2.517 -1.198 1.00 0.00 ? 24 ILE B HG22 17 ATOM 23812 H HG23 . ILE B 1 24 ? -1.104 2.181 0.485 1.00 0.00 ? 24 ILE B HG23 17 ATOM 23813 H HD11 . ILE B 1 24 ? -4.702 4.120 -0.277 1.00 0.00 ? 24 ILE B HD11 17 ATOM 23814 H HD12 . ILE B 1 24 ? -3.736 5.575 -0.021 1.00 0.00 ? 24 ILE B HD12 17 ATOM 23815 H HD13 . ILE B 1 24 ? -4.431 5.245 -1.609 1.00 0.00 ? 24 ILE B HD13 17 ATOM 23816 N N . GLU B 1 25 ? -4.247 3.290 -3.533 1.00 0.00 ? 25 GLU B N 17 ATOM 23817 C CA . GLU B 1 25 ? -5.179 4.124 -4.282 1.00 0.00 ? 25 GLU B CA 17 ATOM 23818 C C . GLU B 1 25 ? -6.248 3.262 -4.942 1.00 0.00 ? 25 GLU B C 17 ATOM 23819 O O . GLU B 1 25 ? -7.429 3.610 -4.942 1.00 0.00 ? 25 GLU B O 17 ATOM 23820 C CB . GLU B 1 25 ? -4.434 4.938 -5.342 1.00 0.00 ? 25 GLU B CB 17 ATOM 23821 C CG . GLU B 1 25 ? -5.297 5.993 -6.015 1.00 0.00 ? 25 GLU B CG 17 ATOM 23822 C CD . GLU B 1 25 ? -4.483 7.143 -6.574 1.00 0.00 ? 25 GLU B CD 17 ATOM 23823 O OE1 . GLU B 1 25 ? -4.134 8.057 -5.798 1.00 0.00 ? 25 GLU B OE1 17 ATOM 23824 O OE2 . GLU B 1 25 ? -4.193 7.129 -7.789 1.00 0.00 ? 25 GLU B OE2 17 ATOM 23825 H H . GLU B 1 25 ? -3.300 3.285 -3.788 1.00 0.00 ? 25 GLU B H 17 ATOM 23826 H HA . GLU B 1 25 ? -5.654 4.799 -3.587 1.00 0.00 ? 25 GLU B HA 17 ATOM 23827 H HB2 . GLU B 1 25 ? -3.596 5.435 -4.874 1.00 0.00 ? 25 GLU B HB2 17 ATOM 23828 H HB3 . GLU B 1 25 ? -4.065 4.267 -6.102 1.00 0.00 ? 25 GLU B HB3 17 ATOM 23829 H HG2 . GLU B 1 25 ? -5.841 5.531 -6.825 1.00 0.00 ? 25 GLU B HG2 17 ATOM 23830 H HG3 . GLU B 1 25 ? -5.995 6.385 -5.290 1.00 0.00 ? 25 GLU B HG3 17 ATOM 23831 N N . ARG B 1 26 ? -5.824 2.131 -5.498 1.00 0.00 ? 26 ARG B N 17 ATOM 23832 C CA . ARG B 1 26 ? -6.748 1.213 -6.152 1.00 0.00 ? 26 ARG B CA 17 ATOM 23833 C C . ARG B 1 26 ? -7.812 0.746 -5.167 1.00 0.00 ? 26 ARG B C 17 ATOM 23834 O O . ARG B 1 26 ? -8.989 0.625 -5.515 1.00 0.00 ? 26 ARG B O 17 ATOM 23835 C CB . ARG B 1 26 ? -5.991 0.010 -6.718 1.00 0.00 ? 26 ARG B CB 17 ATOM 23836 C CG . ARG B 1 26 ? -6.595 -0.540 -8.000 1.00 0.00 ? 26 ARG B CG 17 ATOM 23837 C CD . ARG B 1 26 ? -6.747 0.546 -9.054 1.00 0.00 ? 26 ARG B CD 17 ATOM 23838 N NE . ARG B 1 26 ? -6.949 -0.011 -10.388 1.00 0.00 ? 26 ARG B NE 17 ATOM 23839 C CZ . ARG B 1 26 ? -8.105 -0.515 -10.809 1.00 0.00 ? 26 ARG B CZ 17 ATOM 23840 N NH1 . ARG B 1 26 ? -9.156 -0.531 -10.001 1.00 0.00 ? 26 ARG B NH1 17 ATOM 23841 N NH2 . ARG B 1 26 ? -8.209 -1.003 -12.037 1.00 0.00 ? 26 ARG B NH2 17 ATOM 23842 H H . ARG B 1 26 ? -4.870 1.906 -5.461 1.00 0.00 ? 26 ARG B H 17 ATOM 23843 H HA . ARG B 1 26 ? -7.227 1.743 -6.962 1.00 0.00 ? 26 ARG B HA 17 ATOM 23844 H HB2 . ARG B 1 26 ? -4.972 0.302 -6.922 1.00 0.00 ? 26 ARG B HB2 17 ATOM 23845 H HB3 . ARG B 1 26 ? -5.989 -0.779 -5.980 1.00 0.00 ? 26 ARG B HB3 17 ATOM 23846 H HG2 . ARG B 1 26 ? -5.951 -1.315 -8.387 1.00 0.00 ? 26 ARG B HG2 17 ATOM 23847 H HG3 . ARG B 1 26 ? -7.568 -0.954 -7.780 1.00 0.00 ? 26 ARG B HG3 17 ATOM 23848 H HD2 . ARG B 1 26 ? -7.597 1.160 -8.799 1.00 0.00 ? 26 ARG B HD2 17 ATOM 23849 H HD3 . ARG B 1 26 ? -5.854 1.153 -9.058 1.00 0.00 ? 26 ARG B HD3 17 ATOM 23850 H HE . ARG B 1 26 ? -6.184 -0.010 -11.001 1.00 0.00 ? 26 ARG B HE 17 ATOM 23851 H HH11 . ARG B 1 26 ? -9.081 -0.164 -9.074 1.00 0.00 ? 26 ARG B HH11 17 ATOM 23852 H HH12 . ARG B 1 26 ? -10.025 -0.910 -10.319 1.00 0.00 ? 26 ARG B HH12 17 ATOM 23853 H HH21 . ARG B 1 26 ? -7.418 -0.993 -12.649 1.00 0.00 ? 26 ARG B HH21 17 ATOM 23854 H HH22 . ARG B 1 26 ? -9.080 -1.382 -12.352 1.00 0.00 ? 26 ARG B HH22 17 ATOM 23855 N N . HIS B 1 27 ? -7.393 0.500 -3.929 1.00 0.00 ? 27 HIS B N 17 ATOM 23856 C CA . HIS B 1 27 ? -8.311 0.062 -2.891 1.00 0.00 ? 27 HIS B CA 17 ATOM 23857 C C . HIS B 1 27 ? -9.269 1.190 -2.531 1.00 0.00 ? 27 HIS B C 17 ATOM 23858 O O . HIS B 1 27 ? -10.391 0.950 -2.088 1.00 0.00 ? 27 HIS B O 17 ATOM 23859 C CB . HIS B 1 27 ? -7.535 -0.392 -1.654 1.00 0.00 ? 27 HIS B CB 17 ATOM 23860 C CG . HIS B 1 27 ? -7.786 -1.820 -1.282 1.00 0.00 ? 27 HIS B CG 17 ATOM 23861 N ND1 . HIS B 1 27 ? -8.914 -2.235 -0.604 1.00 0.00 ? 27 HIS B ND1 17 ATOM 23862 C CD2 . HIS B 1 27 ? -7.048 -2.934 -1.500 1.00 0.00 ? 27 HIS B CD2 17 ATOM 23863 C CE1 . HIS B 1 27 ? -8.857 -3.543 -0.419 1.00 0.00 ? 27 HIS B CE1 17 ATOM 23864 N NE2 . HIS B 1 27 ? -7.736 -3.989 -0.953 1.00 0.00 ? 27 HIS B NE2 17 ATOM 23865 H H . HIS B 1 27 ? -6.446 0.627 -3.706 1.00 0.00 ? 27 HIS B H 17 ATOM 23866 H HA . HIS B 1 27 ? -8.880 -0.771 -3.278 1.00 0.00 ? 27 HIS B HA 17 ATOM 23867 H HB2 . HIS B 1 27 ? -6.478 -0.279 -1.841 1.00 0.00 ? 27 HIS B HB2 17 ATOM 23868 H HB3 . HIS B 1 27 ? -7.816 0.227 -0.816 1.00 0.00 ? 27 HIS B HB3 17 ATOM 23869 H HD1 . HIS B 1 27 ? -9.646 -1.657 -0.302 1.00 0.00 ? 27 HIS B HD1 17 ATOM 23870 H HD2 . HIS B 1 27 ? -6.096 -2.983 -2.007 1.00 0.00 ? 27 HIS B HD2 17 ATOM 23871 H HE1 . HIS B 1 27 ? -9.602 -4.142 0.081 1.00 0.00 ? 27 HIS B HE1 17 ATOM 23872 H HE2 . HIS B 1 27 ? -7.444 -4.925 -0.959 1.00 0.00 ? 27 HIS B HE2 17 ATOM 23873 N N . LYS B 1 28 ? -8.815 2.425 -2.733 1.00 0.00 ? 28 LYS B N 17 ATOM 23874 C CA . LYS B 1 28 ? -9.627 3.598 -2.440 1.00 0.00 ? 28 LYS B CA 17 ATOM 23875 C C . LYS B 1 28 ? -10.730 3.759 -3.479 1.00 0.00 ? 28 LYS B C 17 ATOM 23876 O O . LYS B 1 28 ? -11.822 4.239 -3.173 1.00 0.00 ? 28 LYS B O 17 ATOM 23877 C CB . LYS B 1 28 ? -8.754 4.854 -2.407 1.00 0.00 ? 28 LYS B CB 17 ATOM 23878 C CG . LYS B 1 28 ? -9.274 5.931 -1.468 1.00 0.00 ? 28 LYS B CG 17 ATOM 23879 C CD . LYS B 1 28 ? -9.520 7.238 -2.204 1.00 0.00 ? 28 LYS B CD 17 ATOM 23880 C CE . LYS B 1 28 ? -8.243 8.051 -2.339 1.00 0.00 ? 28 LYS B CE 17 ATOM 23881 N NZ . LYS B 1 28 ? -8.495 9.383 -2.956 1.00 0.00 ? 28 LYS B NZ 17 ATOM 23882 H H . LYS B 1 28 ? -7.912 2.550 -3.092 1.00 0.00 ? 28 LYS B H 17 ATOM 23883 H HA . LYS B 1 28 ? -10.076 3.456 -1.472 1.00 0.00 ? 28 LYS B HA 17 ATOM 23884 H HB2 . LYS B 1 28 ? -7.759 4.579 -2.088 1.00 0.00 ? 28 LYS B HB2 17 ATOM 23885 H HB3 . LYS B 1 28 ? -8.702 5.269 -3.402 1.00 0.00 ? 28 LYS B HB3 17 ATOM 23886 H HG2 . LYS B 1 28 ? -10.202 5.596 -1.030 1.00 0.00 ? 28 LYS B HG2 17 ATOM 23887 H HG3 . LYS B 1 28 ? -8.545 6.099 -0.689 1.00 0.00 ? 28 LYS B HG3 17 ATOM 23888 H HD2 . LYS B 1 28 ? -9.902 7.018 -3.190 1.00 0.00 ? 28 LYS B HD2 17 ATOM 23889 H HD3 . LYS B 1 28 ? -10.248 7.817 -1.655 1.00 0.00 ? 28 LYS B HD3 17 ATOM 23890 H HE2 . LYS B 1 28 ? -7.816 8.193 -1.358 1.00 0.00 ? 28 LYS B HE2 17 ATOM 23891 H HE3 . LYS B 1 28 ? -7.547 7.503 -2.957 1.00 0.00 ? 28 LYS B HE3 17 ATOM 23892 H HZ1 . LYS B 1 28 ? -9.433 9.733 -2.678 1.00 0.00 ? 28 LYS B HZ1 17 ATOM 23893 H HZ2 . LYS B 1 28 ? -7.776 10.065 -2.639 1.00 0.00 ? 28 LYS B HZ2 17 ATOM 23894 H HZ3 . LYS B 1 28 ? -8.457 9.311 -3.992 1.00 0.00 ? 28 LYS B HZ3 17 ATOM 23895 N N . GLN B 1 29 ? -10.437 3.350 -4.710 1.00 0.00 ? 29 GLN B N 17 ATOM 23896 C CA . GLN B 1 29 ? -11.402 3.444 -5.797 1.00 0.00 ? 29 GLN B CA 17 ATOM 23897 C C . GLN B 1 29 ? -12.543 2.453 -5.593 1.00 0.00 ? 29 GLN B C 17 ATOM 23898 O O . GLN B 1 29 ? -13.708 2.779 -5.816 1.00 0.00 ? 29 GLN B O 17 ATOM 23899 C CB . GLN B 1 29 ? -10.718 3.186 -7.140 1.00 0.00 ? 29 GLN B CB 17 ATOM 23900 C CG . GLN B 1 29 ? -11.527 3.660 -8.336 1.00 0.00 ? 29 GLN B CG 17 ATOM 23901 C CD . GLN B 1 29 ? -10.811 4.729 -9.138 1.00 0.00 ? 29 GLN B CD 17 ATOM 23902 O OE1 . GLN B 1 29 ? -9.714 4.508 -9.649 1.00 0.00 ? 29 GLN B OE1 17 ATOM 23903 N NE2 . GLN B 1 29 ? -11.431 5.899 -9.250 1.00 0.00 ? 29 GLN B NE2 17 ATOM 23904 H H . GLN B 1 29 ? -9.550 2.974 -4.890 1.00 0.00 ? 29 GLN B H 17 ATOM 23905 H HA . GLN B 1 29 ? -11.808 4.446 -5.795 1.00 0.00 ? 29 GLN B HA 17 ATOM 23906 H HB2 . GLN B 1 29 ? -9.767 3.698 -7.151 1.00 0.00 ? 29 GLN B HB2 17 ATOM 23907 H HB3 . GLN B 1 29 ? -10.547 2.124 -7.245 1.00 0.00 ? 29 GLN B HB3 17 ATOM 23908 H HG2 . GLN B 1 29 ? -11.719 2.816 -8.983 1.00 0.00 ? 29 GLN B HG2 17 ATOM 23909 H HG3 . GLN B 1 29 ? -12.465 4.062 -7.983 1.00 0.00 ? 29 GLN B HG3 17 ATOM 23910 H HE21 . GLN B 1 29 ? -12.303 6.004 -8.815 1.00 0.00 ? 29 GLN B HE21 17 ATOM 23911 H HE22 . GLN B 1 29 ? -10.991 6.608 -9.763 1.00 0.00 ? 29 GLN B HE22 17 ATOM 23912 N N . SER B 1 30 ? -12.198 1.241 -5.171 1.00 0.00 ? 30 SER B N 17 ATOM 23913 C CA . SER B 1 30 ? -13.196 0.202 -4.938 1.00 0.00 ? 30 SER B CA 17 ATOM 23914 C C . SER B 1 30 ? -14.081 0.552 -3.745 1.00 0.00 ? 30 SER B C 17 ATOM 23915 O O . SER B 1 30 ? -15.297 0.370 -3.788 1.00 0.00 ? 30 SER B O 17 ATOM 23916 C CB . SER B 1 30 ? -12.515 -1.147 -4.704 1.00 0.00 ? 30 SER B CB 17 ATOM 23917 O OG . SER B 1 30 ? -13.457 -2.206 -4.726 1.00 0.00 ? 30 SER B OG 17 ATOM 23918 H H . SER B 1 30 ? -11.249 1.039 -5.012 1.00 0.00 ? 30 SER B H 17 ATOM 23919 H HA . SER B 1 30 ? -13.814 0.135 -5.821 1.00 0.00 ? 30 SER B HA 17 ATOM 23920 H HB2 . SER B 1 30 ? -11.784 -1.319 -5.481 1.00 0.00 ? 30 SER B HB2 17 ATOM 23921 H HB3 . SER B 1 30 ? -12.023 -1.138 -3.743 1.00 0.00 ? 30 SER B HB3 17 ATOM 23922 H HG . SER B 1 30 ? -13.132 -2.934 -4.192 1.00 0.00 ? 30 SER B HG 17 ATOM 23923 N N . ILE B 1 31 ? -13.462 1.052 -2.681 1.00 0.00 ? 31 ILE B N 17 ATOM 23924 C CA . ILE B 1 31 ? -14.191 1.427 -1.472 1.00 0.00 ? 31 ILE B CA 17 ATOM 23925 C C . ILE B 1 31 ? -15.027 2.683 -1.700 1.00 0.00 ? 31 ILE B C 17 ATOM 23926 O O . ILE B 1 31 ? -16.028 2.906 -1.018 1.00 0.00 ? 31 ILE B O 17 ATOM 23927 C CB . ILE B 1 31 ? -13.232 1.663 -0.289 1.00 0.00 ? 31 ILE B CB 17 ATOM 23928 C CG1 . ILE B 1 31 ? -14.000 2.060 0.971 1.00 0.00 ? 31 ILE B CG1 17 ATOM 23929 C CG2 . ILE B 1 31 ? -12.216 2.741 -0.631 1.00 0.00 ? 31 ILE B CG2 17 ATOM 23930 C CD1 . ILE B 1 31 ? -14.752 0.918 1.609 1.00 0.00 ? 31 ILE B CD1 17 ATOM 23931 H H . ILE B 1 31 ? -12.489 1.170 -2.708 1.00 0.00 ? 31 ILE B H 17 ATOM 23932 H HA . ILE B 1 31 ? -14.851 0.610 -1.216 1.00 0.00 ? 31 ILE B HA 17 ATOM 23933 H HB . ILE B 1 31 ? -12.701 0.739 -0.101 1.00 0.00 ? 31 ILE B HB 17 ATOM 23934 H HG12 . ILE B 1 31 ? -13.299 2.440 1.702 1.00 0.00 ? 31 ILE B HG12 17 ATOM 23935 H HG13 . ILE B 1 31 ? -14.712 2.834 0.724 1.00 0.00 ? 31 ILE B HG13 17 ATOM 23936 H HG21 . ILE B 1 31 ? -11.793 2.549 -1.603 1.00 0.00 ? 31 ILE B HG21 17 ATOM 23937 H HG22 . ILE B 1 31 ? -12.704 3.704 -0.637 1.00 0.00 ? 31 ILE B HG22 17 ATOM 23938 H HG23 . ILE B 1 31 ? -11.431 2.742 0.110 1.00 0.00 ? 31 ILE B HG23 17 ATOM 23939 H HD11 . ILE B 1 31 ? -15.082 0.233 0.844 1.00 0.00 ? 31 ILE B HD11 17 ATOM 23940 H HD12 . ILE B 1 31 ? -14.099 0.403 2.296 1.00 0.00 ? 31 ILE B HD12 17 ATOM 23941 H HD13 . ILE B 1 31 ? -15.607 1.302 2.142 1.00 0.00 ? 31 ILE B HD13 17 ATOM 23942 N N . LYS B 1 32 ? -14.613 3.497 -2.665 1.00 0.00 ? 32 LYS B N 17 ATOM 23943 C CA . LYS B 1 32 ? -15.327 4.729 -2.981 1.00 0.00 ? 32 LYS B CA 17 ATOM 23944 C C . LYS B 1 32 ? -16.568 4.439 -3.819 1.00 0.00 ? 32 LYS B C 17 ATOM 23945 O O . LYS B 1 32 ? -17.597 5.098 -3.670 1.00 0.00 ? 32 LYS B O 17 ATOM 23946 C CB . LYS B 1 32 ? -14.409 5.699 -3.727 1.00 0.00 ? 32 LYS B CB 17 ATOM 23947 C CG . LYS B 1 32 ? -14.963 7.111 -3.819 1.00 0.00 ? 32 LYS B CG 17 ATOM 23948 C CD . LYS B 1 32 ? -14.754 7.701 -5.204 1.00 0.00 ? 32 LYS B CD 17 ATOM 23949 C CE . LYS B 1 32 ? -15.932 7.405 -6.119 1.00 0.00 ? 32 LYS B CE 17 ATOM 23950 N NZ . LYS B 1 32 ? -17.088 8.302 -5.844 1.00 0.00 ? 32 LYS B NZ 17 ATOM 23951 H H . LYS B 1 32 ? -13.810 3.265 -3.176 1.00 0.00 ? 32 LYS B H 17 ATOM 23952 H HA . LYS B 1 32 ? -15.635 5.182 -2.051 1.00 0.00 ? 32 LYS B HA 17 ATOM 23953 H HB2 . LYS B 1 32 ? -13.458 5.741 -3.216 1.00 0.00 ? 32 LYS B HB2 17 ATOM 23954 H HB3 . LYS B 1 32 ? -14.253 5.330 -4.730 1.00 0.00 ? 32 LYS B HB3 17 ATOM 23955 H HG2 . LYS B 1 32 ? -16.021 7.087 -3.605 1.00 0.00 ? 32 LYS B HG2 17 ATOM 23956 H HG3 . LYS B 1 32 ? -14.460 7.733 -3.093 1.00 0.00 ? 32 LYS B HG3 17 ATOM 23957 H HD2 . LYS B 1 32 ? -14.640 8.772 -5.116 1.00 0.00 ? 32 LYS B HD2 17 ATOM 23958 H HD3 . LYS B 1 32 ? -13.859 7.277 -5.635 1.00 0.00 ? 32 LYS B HD3 17 ATOM 23959 H HE2 . LYS B 1 32 ? -15.619 7.541 -7.143 1.00 0.00 ? 32 LYS B HE2 17 ATOM 23960 H HE3 . LYS B 1 32 ? -16.238 6.380 -5.970 1.00 0.00 ? 32 LYS B HE3 17 ATOM 23961 H HZ1 . LYS B 1 32 ? -16.752 9.227 -5.506 1.00 0.00 ? 32 LYS B HZ1 17 ATOM 23962 H HZ2 . LYS B 1 32 ? -17.645 8.444 -6.711 1.00 0.00 ? 32 LYS B HZ2 17 ATOM 23963 H HZ3 . LYS B 1 32 ? -17.701 7.882 -5.117 1.00 0.00 ? 32 LYS B HZ3 17 ATOM 23964 N N . LYS B 1 33 ? -16.465 3.449 -4.700 1.00 0.00 ? 33 LYS B N 17 ATOM 23965 C CA . LYS B 1 33 ? -17.582 3.074 -5.559 1.00 0.00 ? 33 LYS B CA 17 ATOM 23966 C C . LYS B 1 33 ? -18.580 2.209 -4.798 1.00 0.00 ? 33 LYS B C 17 ATOM 23967 O O . LYS B 1 33 ? -19.772 2.197 -5.109 1.00 0.00 ? 33 LYS B O 17 ATOM 23968 C CB . LYS B 1 33 ? -17.075 2.324 -6.793 1.00 0.00 ? 33 LYS B CB 17 ATOM 23969 C CG . LYS B 1 33 ? -18.171 1.988 -7.792 1.00 0.00 ? 33 LYS B CG 17 ATOM 23970 C CD . LYS B 1 33 ? -17.864 0.701 -8.541 1.00 0.00 ? 33 LYS B CD 17 ATOM 23971 C CE . LYS B 1 33 ? -18.576 0.655 -9.883 1.00 0.00 ? 33 LYS B CE 17 ATOM 23972 N NZ . LYS B 1 33 ? -17.616 0.580 -11.019 1.00 0.00 ? 33 LYS B NZ 17 ATOM 23973 H H . LYS B 1 33 ? -15.620 2.959 -4.773 1.00 0.00 ? 33 LYS B H 17 ATOM 23974 H HA . LYS B 1 33 ? -18.076 3.980 -5.876 1.00 0.00 ? 33 LYS B HA 17 ATOM 23975 H HB2 . LYS B 1 33 ? -16.337 2.933 -7.292 1.00 0.00 ? 33 LYS B HB2 17 ATOM 23976 H HB3 . LYS B 1 33 ? -16.613 1.402 -6.475 1.00 0.00 ? 33 LYS B HB3 17 ATOM 23977 H HG2 . LYS B 1 33 ? -19.104 1.871 -7.263 1.00 0.00 ? 33 LYS B HG2 17 ATOM 23978 H HG3 . LYS B 1 33 ? -18.256 2.796 -8.503 1.00 0.00 ? 33 LYS B HG3 17 ATOM 23979 H HD2 . LYS B 1 33 ? -16.800 0.637 -8.707 1.00 0.00 ? 33 LYS B HD2 17 ATOM 23980 H HD3 . LYS B 1 33 ? -18.188 -0.138 -7.942 1.00 0.00 ? 33 LYS B HD3 17 ATOM 23981 H HE2 . LYS B 1 33 ? -19.216 -0.215 -9.908 1.00 0.00 ? 33 LYS B HE2 17 ATOM 23982 H HE3 . LYS B 1 33 ? -19.177 1.546 -9.988 1.00 0.00 ? 33 LYS B HE3 17 ATOM 23983 H HZ1 . LYS B 1 33 ? -16.885 -0.134 -10.823 1.00 0.00 ? 33 LYS B HZ1 17 ATOM 23984 H HZ2 . LYS B 1 33 ? -18.115 0.319 -11.892 1.00 0.00 ? 33 LYS B HZ2 17 ATOM 23985 H HZ3 . LYS B 1 33 ? -17.156 1.502 -11.158 1.00 0.00 ? 33 LYS B HZ3 17 ATOM 23986 N N . LEU B 1 34 ? -18.086 1.489 -3.797 1.00 0.00 ? 34 LEU B N 17 ATOM 23987 C CA . LEU B 1 34 ? -18.933 0.622 -2.987 1.00 0.00 ? 34 LEU B CA 17 ATOM 23988 C C . LEU B 1 34 ? -19.663 1.428 -1.918 1.00 0.00 ? 34 LEU B C 17 ATOM 23989 O O . LEU B 1 34 ? -20.763 1.069 -1.500 1.00 0.00 ? 34 LEU B O 17 ATOM 23990 C CB . LEU B 1 34 ? -18.095 -0.480 -2.335 1.00 0.00 ? 34 LEU B CB 17 ATOM 23991 C CG . LEU B 1 34 ? -18.333 -1.886 -2.888 1.00 0.00 ? 34 LEU B CG 17 ATOM 23992 C CD1 . LEU B 1 34 ? -17.120 -2.770 -2.639 1.00 0.00 ? 34 LEU B CD1 17 ATOM 23993 C CD2 . LEU B 1 34 ? -19.577 -2.500 -2.264 1.00 0.00 ? 34 LEU B CD2 17 ATOM 23994 H H . LEU B 1 34 ? -17.129 1.543 -3.597 1.00 0.00 ? 34 LEU B H 17 ATOM 23995 H HA . LEU B 1 34 ? -19.664 0.169 -3.641 1.00 0.00 ? 34 LEU B HA 17 ATOM 23996 H HB2 . LEU B 1 34 ? -17.051 -0.235 -2.468 1.00 0.00 ? 34 LEU B HB2 17 ATOM 23997 H HB3 . LEU B 1 34 ? -18.313 -0.492 -1.278 1.00 0.00 ? 34 LEU B HB3 17 ATOM 23998 H HG . LEU B 1 34 ? -18.488 -1.826 -3.955 1.00 0.00 ? 34 LEU B HG 17 ATOM 23999 H HD11 . LEU B 1 34 ? -16.219 -2.193 -2.783 1.00 0.00 ? 34 LEU B HD11 17 ATOM 24000 H HD12 . LEU B 1 34 ? -17.149 -3.145 -1.626 1.00 0.00 ? 34 LEU B HD12 17 ATOM 24001 H HD13 . LEU B 1 34 ? -17.131 -3.600 -3.330 1.00 0.00 ? 34 LEU B HD13 17 ATOM 24002 H HD21 . LEU B 1 34 ? -20.342 -1.745 -2.166 1.00 0.00 ? 34 LEU B HD21 17 ATOM 24003 H HD22 . LEU B 1 34 ? -19.939 -3.299 -2.894 1.00 0.00 ? 34 LEU B HD22 17 ATOM 24004 H HD23 . LEU B 1 34 ? -19.334 -2.895 -1.288 1.00 0.00 ? 34 LEU B HD23 17 ATOM 24005 N N . LYS B 1 35 ? -19.044 2.520 -1.483 1.00 0.00 ? 35 LYS B N 17 ATOM 24006 C CA . LYS B 1 35 ? -19.637 3.379 -0.464 1.00 0.00 ? 35 LYS B CA 17 ATOM 24007 C C . LYS B 1 35 ? -20.681 4.304 -1.080 1.00 0.00 ? 35 LYS B C 17 ATOM 24008 O O . LYS B 1 35 ? -21.692 4.621 -0.454 1.00 0.00 ? 35 LYS B O 17 ATOM 24009 C CB . LYS B 1 35 ? -18.554 4.202 0.235 1.00 0.00 ? 35 LYS B CB 17 ATOM 24010 C CG . LYS B 1 35 ? -17.834 3.446 1.339 1.00 0.00 ? 35 LYS B CG 17 ATOM 24011 C CD . LYS B 1 35 ? -18.664 3.394 2.611 1.00 0.00 ? 35 LYS B CD 17 ATOM 24012 C CE . LYS B 1 35 ? -17.929 2.669 3.726 1.00 0.00 ? 35 LYS B CE 17 ATOM 24013 N NZ . LYS B 1 35 ? -17.476 3.605 4.793 1.00 0.00 ? 35 LYS B NZ 17 ATOM 24014 H H . LYS B 1 35 ? -18.169 2.757 -1.857 1.00 0.00 ? 35 LYS B H 17 ATOM 24015 H HA . LYS B 1 35 ? -20.121 2.744 0.263 1.00 0.00 ? 35 LYS B HA 17 ATOM 24016 H HB2 . LYS B 1 35 ? -17.823 4.510 -0.498 1.00 0.00 ? 35 LYS B HB2 17 ATOM 24017 H HB3 . LYS B 1 35 ? -19.009 5.081 0.667 1.00 0.00 ? 35 LYS B HB3 17 ATOM 24018 H HG2 . LYS B 1 35 ? -17.641 2.439 1.006 1.00 0.00 ? 35 LYS B HG2 17 ATOM 24019 H HG3 . LYS B 1 35 ? -16.898 3.944 1.550 1.00 0.00 ? 35 LYS B HG3 17 ATOM 24020 H HD2 . LYS B 1 35 ? -18.879 4.402 2.931 1.00 0.00 ? 35 LYS B HD2 17 ATOM 24021 H HD3 . LYS B 1 35 ? -19.588 2.875 2.404 1.00 0.00 ? 35 LYS B HD3 17 ATOM 24022 H HE2 . LYS B 1 35 ? -18.592 1.936 4.162 1.00 0.00 ? 35 LYS B HE2 17 ATOM 24023 H HE3 . LYS B 1 35 ? -17.068 2.170 3.308 1.00 0.00 ? 35 LYS B HE3 17 ATOM 24024 H HZ1 . LYS B 1 35 ? -18.186 4.350 4.939 1.00 0.00 ? 35 LYS B HZ1 17 ATOM 24025 H HZ2 . LYS B 1 35 ? -17.342 3.090 5.687 1.00 0.00 ? 35 LYS B HZ2 17 ATOM 24026 H HZ3 . LYS B 1 35 ? -16.575 4.047 4.522 1.00 0.00 ? 35 LYS B HZ3 17 ATOM 24027 N N . GLN B 1 36 ? -20.430 4.733 -2.313 1.00 0.00 ? 36 GLN B N 17 ATOM 24028 C CA . GLN B 1 36 ? -21.349 5.619 -3.016 1.00 0.00 ? 36 GLN B CA 17 ATOM 24029 C C . GLN B 1 36 ? -22.532 4.836 -3.573 1.00 0.00 ? 36 GLN B C 17 ATOM 24030 O O . GLN B 1 36 ? -23.642 5.358 -3.679 1.00 0.00 ? 36 GLN B O 17 ATOM 24031 C CB . GLN B 1 36 ? -20.625 6.348 -4.149 1.00 0.00 ? 36 GLN B CB 17 ATOM 24032 C CG . GLN B 1 36 ? -21.108 7.773 -4.363 1.00 0.00 ? 36 GLN B CG 17 ATOM 24033 C CD . GLN B 1 36 ? -22.188 7.869 -5.423 1.00 0.00 ? 36 GLN B CD 17 ATOM 24034 O OE1 . GLN B 1 36 ? -22.381 6.946 -6.214 1.00 0.00 ? 36 GLN B OE1 17 ATOM 24035 N NE2 . GLN B 1 36 ? -22.896 8.992 -5.445 1.00 0.00 ? 36 GLN B NE2 17 ATOM 24036 H H . GLN B 1 36 ? -19.607 4.443 -2.761 1.00 0.00 ? 36 GLN B H 17 ATOM 24037 H HA . GLN B 1 36 ? -21.716 6.347 -2.307 1.00 0.00 ? 36 GLN B HA 17 ATOM 24038 H HB2 . GLN B 1 36 ? -19.569 6.379 -3.925 1.00 0.00 ? 36 GLN B HB2 17 ATOM 24039 H HB3 . GLN B 1 36 ? -20.773 5.799 -5.068 1.00 0.00 ? 36 GLN B HB3 17 ATOM 24040 H HG2 . GLN B 1 36 ? -21.507 8.148 -3.432 1.00 0.00 ? 36 GLN B HG2 17 ATOM 24041 H HG3 . GLN B 1 36 ? -20.270 8.383 -4.665 1.00 0.00 ? 36 GLN B HG3 17 ATOM 24042 H HE21 . GLN B 1 36 ? -22.688 9.685 -4.784 1.00 0.00 ? 36 GLN B HE21 17 ATOM 24043 H HE22 . GLN B 1 36 ? -23.601 9.081 -6.121 1.00 0.00 ? 36 GLN B HE22 17 ATOM 24044 N N . SER B 1 37 ? -22.287 3.578 -3.925 1.00 0.00 ? 37 SER B N 17 ATOM 24045 C CA . SER B 1 37 ? -23.333 2.720 -4.468 1.00 0.00 ? 37 SER B CA 17 ATOM 24046 C C . SER B 1 37 ? -24.242 2.206 -3.356 1.00 0.00 ? 37 SER B C 17 ATOM 24047 O O . SER B 1 37 ? -25.416 1.915 -3.585 1.00 0.00 ? 37 SER B O 17 ATOM 24048 C CB . SER B 1 37 ? -22.715 1.541 -5.224 1.00 0.00 ? 37 SER B CB 17 ATOM 24049 O OG . SER B 1 37 ? -22.450 1.883 -6.574 1.00 0.00 ? 37 SER B OG 17 ATOM 24050 H H . SER B 1 37 ? -21.382 3.217 -3.814 1.00 0.00 ? 37 SER B H 17 ATOM 24051 H HA . SER B 1 37 ? -23.922 3.309 -5.155 1.00 0.00 ? 37 SER B HA 17 ATOM 24052 H HB2 . SER B 1 37 ? -21.787 1.259 -4.750 1.00 0.00 ? 37 SER B HB2 17 ATOM 24053 H HB3 . SER B 1 37 ? -23.399 0.706 -5.204 1.00 0.00 ? 37 SER B HB3 17 ATOM 24054 H HG . SER B 1 37 ? -22.135 1.108 -7.045 1.00 0.00 ? 37 SER B HG 17 ATOM 24055 N N . GLU B 1 38 ? -23.691 2.100 -2.151 1.00 0.00 ? 38 GLU B N 17 ATOM 24056 C CA . GLU B 1 38 ? -24.453 1.625 -1.003 1.00 0.00 ? 38 GLU B CA 17 ATOM 24057 C C . GLU B 1 38 ? -25.404 2.706 -0.499 1.00 0.00 ? 38 GLU B C 17 ATOM 24058 O O . GLU B 1 38 ? -26.431 2.408 0.112 1.00 0.00 ? 38 GLU B O 17 ATOM 24059 C CB . GLU B 1 38 ? -23.508 1.195 0.120 1.00 0.00 ? 38 GLU B CB 17 ATOM 24060 C CG . GLU B 1 38 ? -23.636 -0.274 0.493 1.00 0.00 ? 38 GLU B CG 17 ATOM 24061 C CD . GLU B 1 38 ? -23.933 -0.478 1.965 1.00 0.00 ? 38 GLU B CD 17 ATOM 24062 O OE1 . GLU B 1 38 ? -23.626 0.431 2.765 1.00 0.00 ? 38 GLU B OE1 17 ATOM 24063 O OE2 . GLU B 1 38 ? -24.473 -1.547 2.319 1.00 0.00 ? 38 GLU B OE2 17 ATOM 24064 H H . GLU B 1 38 ? -22.750 2.350 -2.031 1.00 0.00 ? 38 GLU B H 17 ATOM 24065 H HA . GLU B 1 38 ? -25.033 0.771 -1.320 1.00 0.00 ? 38 GLU B HA 17 ATOM 24066 H HB2 . GLU B 1 38 ? -22.491 1.378 -0.190 1.00 0.00 ? 38 GLU B HB2 17 ATOM 24067 H HB3 . GLU B 1 38 ? -23.720 1.786 0.999 1.00 0.00 ? 38 GLU B HB3 17 ATOM 24068 H HG2 . GLU B 1 38 ? -24.436 -0.711 -0.084 1.00 0.00 ? 38 GLU B HG2 17 ATOM 24069 H HG3 . GLU B 1 38 ? -22.708 -0.774 0.255 1.00 0.00 ? 38 GLU B HG3 17 ATOM 24070 N N . ASP B 1 39 ? -25.056 3.961 -0.761 1.00 0.00 ? 39 ASP B N 17 ATOM 24071 C CA . ASP B 1 39 ? -25.879 5.087 -0.334 1.00 0.00 ? 39 ASP B CA 17 ATOM 24072 C C . ASP B 1 39 ? -27.147 5.184 -1.177 1.00 0.00 ? 39 ASP B C 17 ATOM 24073 O O . ASP B 1 39 ? -28.164 5.709 -0.728 1.00 0.00 ? 39 ASP B O 17 ATOM 24074 C CB . ASP B 1 39 ? -25.087 6.392 -0.432 1.00 0.00 ? 39 ASP B CB 17 ATOM 24075 C CG . ASP B 1 39 ? -25.680 7.494 0.423 1.00 0.00 ? 39 ASP B CG 17 ATOM 24076 O OD1 . ASP B 1 39 ? -26.743 8.032 0.044 1.00 0.00 ? 39 ASP B OD1 17 ATOM 24077 O OD2 . ASP B 1 39 ? -25.082 7.820 1.469 1.00 0.00 ? 39 ASP B OD2 17 ATOM 24078 H H . ASP B 1 39 ? -24.226 4.136 -1.252 1.00 0.00 ? 39 ASP B H 17 ATOM 24079 H HA . ASP B 1 39 ? -26.158 4.922 0.696 1.00 0.00 ? 39 ASP B HA 17 ATOM 24080 H HB2 . ASP B 1 39 ? -24.073 6.215 -0.106 1.00 0.00 ? 39 ASP B HB2 17 ATOM 24081 H HB3 . ASP B 1 39 ? -25.078 6.723 -1.461 1.00 0.00 ? 39 ASP B HB3 17 ATOM 24082 N N . ASP B 1 40 ? -27.077 4.672 -2.402 1.00 0.00 ? 40 ASP B N 17 ATOM 24083 C CA . ASP B 1 40 ? -28.219 4.700 -3.309 1.00 0.00 ? 40 ASP B CA 17 ATOM 24084 C C . ASP B 1 40 ? -28.503 6.122 -3.782 1.00 0.00 ? 40 ASP B C 17 ATOM 24085 O O . ASP B 1 40 ? -28.468 7.068 -2.996 1.00 0.00 ? 40 ASP B O 17 ATOM 24086 C CB . ASP B 1 40 ? -29.458 4.124 -2.620 1.00 0.00 ? 40 ASP B CB 17 ATOM 24087 C CG . ASP B 1 40 ? -30.071 2.975 -3.399 1.00 0.00 ? 40 ASP B CG 17 ATOM 24088 O OD1 . ASP B 1 40 ? -29.635 1.822 -3.197 1.00 0.00 ? 40 ASP B OD1 17 ATOM 24089 O OD2 . ASP B 1 40 ? -30.985 3.230 -4.211 1.00 0.00 ? 40 ASP B OD2 17 ATOM 24090 H H . ASP B 1 40 ? -26.237 4.266 -2.704 1.00 0.00 ? 40 ASP B H 17 ATOM 24091 H HA . ASP B 1 40 ? -27.977 4.090 -4.165 1.00 0.00 ? 40 ASP B HA 17 ATOM 24092 H HB2 . ASP B 1 40 ? -29.183 3.762 -1.640 1.00 0.00 ? 40 ASP B HB2 17 ATOM 24093 H HB3 . ASP B 1 40 ? -30.200 4.901 -2.518 1.00 0.00 ? 40 ASP B HB3 17 ATOM 24094 N N . ASP B 1 41 ? -28.781 6.264 -5.074 1.00 0.00 ? 41 ASP B N 17 ATOM 24095 C CA . ASP B 1 41 ? -29.071 7.571 -5.654 1.00 0.00 ? 41 ASP B CA 17 ATOM 24096 C C . ASP B 1 41 ? -29.664 7.426 -7.052 1.00 0.00 ? 41 ASP B C 17 ATOM 24097 O O . ASP B 1 41 ? -30.116 8.448 -7.610 1.00 0.00 ? 41 ASP B O 17 ATOM 24098 C CB . ASP B 1 41 ? -27.798 8.418 -5.711 1.00 0.00 ? 41 ASP B CB 17 ATOM 24099 C CG . ASP B 1 41 ? -28.094 9.892 -5.906 1.00 0.00 ? 41 ASP B CG 17 ATOM 24100 O OD1 . ASP B 1 41 ? -29.261 10.231 -6.197 1.00 0.00 ? 41 ASP B OD1 17 ATOM 24101 O OD2 . ASP B 1 41 ? -27.159 10.709 -5.766 1.00 0.00 ? 41 ASP B OD2 17 ATOM 24102 O OXT . ASP B 1 41 ? -29.671 6.293 -7.576 1.00 0.00 ? 41 ASP B OXT 17 ATOM 24103 H H . ASP B 1 41 ? -28.794 5.472 -5.651 1.00 0.00 ? 41 ASP B H 17 ATOM 24104 H HA . ASP B 1 41 ? -29.792 8.063 -5.019 1.00 0.00 ? 41 ASP B HA 17 ATOM 24105 H HB2 . ASP B 1 41 ? -27.251 8.299 -4.789 1.00 0.00 ? 41 ASP B HB2 17 ATOM 24106 H HB3 . ASP B 1 41 ? -27.186 8.081 -6.535 1.00 0.00 ? 41 ASP B HB3 17 ATOM 24107 N N . ALA A 1 1 ? -32.124 -1.158 6.436 1.00 0.00 ? 1 ALA A N 18 ATOM 24108 C CA . ALA A 1 1 ? -30.779 -1.785 6.517 1.00 0.00 ? 1 ALA A CA 18 ATOM 24109 C C . ALA A 1 1 ? -30.858 -3.281 6.233 1.00 0.00 ? 1 ALA A C 18 ATOM 24110 O O . ALA A 1 1 ? -30.669 -4.103 7.129 1.00 0.00 ? 1 ALA A O 18 ATOM 24111 C CB . ALA A 1 1 ? -30.168 -1.541 7.889 1.00 0.00 ? 1 ALA A CB 18 ATOM 24112 H H1 . ALA A 1 1 ? -32.669 -1.669 5.711 1.00 0.00 ? 1 ALA A H1 18 ATOM 24113 H H2 . ALA A 1 1 ? -32.571 -1.243 7.370 1.00 0.00 ? 1 ALA A H2 18 ATOM 24114 H H3 . ALA A 1 1 ? -31.993 -0.160 6.173 1.00 0.00 ? 1 ALA A H3 18 ATOM 24115 H HA . ALA A 1 1 ? -30.142 -1.321 5.778 1.00 0.00 ? 1 ALA A HA 18 ATOM 24116 H HB1 . ALA A 1 1 ? -30.161 -0.482 8.096 1.00 0.00 ? 1 ALA A HB1 18 ATOM 24117 H HB2 . ALA A 1 1 ? -29.157 -1.919 7.904 1.00 0.00 ? 1 ALA A HB2 18 ATOM 24118 H HB3 . ALA A 1 1 ? -30.755 -2.052 8.640 1.00 0.00 ? 1 ALA A HB3 18 ATOM 24119 N N . LEU A 1 2 ? -31.145 -3.628 4.982 1.00 0.00 ? 2 LEU A N 18 ATOM 24120 C CA . LEU A 1 2 ? -31.256 -5.028 4.586 1.00 0.00 ? 2 LEU A CA 18 ATOM 24121 C C . LEU A 1 2 ? -29.910 -5.583 4.118 1.00 0.00 ? 2 LEU A C 18 ATOM 24122 O O . LEU A 1 2 ? -29.152 -6.138 4.913 1.00 0.00 ? 2 LEU A O 18 ATOM 24123 C CB . LEU A 1 2 ? -32.308 -5.185 3.485 1.00 0.00 ? 2 LEU A CB 18 ATOM 24124 C CG . LEU A 1 2 ? -33.662 -5.714 3.957 1.00 0.00 ? 2 LEU A CG 18 ATOM 24125 C CD1 . LEU A 1 2 ? -34.749 -4.677 3.729 1.00 0.00 ? 2 LEU A CD1 18 ATOM 24126 C CD2 . LEU A 1 2 ? -34.003 -7.014 3.243 1.00 0.00 ? 2 LEU A CD2 18 ATOM 24127 H H . LEU A 1 2 ? -31.292 -2.928 4.312 1.00 0.00 ? 2 LEU A H 18 ATOM 24128 H HA . LEU A 1 2 ? -31.575 -5.587 5.453 1.00 0.00 ? 2 LEU A HA 18 ATOM 24129 H HB2 . LEU A 1 2 ? -32.462 -4.220 3.024 1.00 0.00 ? 2 LEU A HB2 18 ATOM 24130 H HB3 . LEU A 1 2 ? -31.920 -5.864 2.741 1.00 0.00 ? 2 LEU A HB3 18 ATOM 24131 H HG . LEU A 1 2 ? -33.612 -5.917 5.017 1.00 0.00 ? 2 LEU A HG 18 ATOM 24132 H HD11 . LEU A 1 2 ? -34.513 -4.094 2.851 1.00 0.00 ? 2 LEU A HD11 18 ATOM 24133 H HD12 . LEU A 1 2 ? -35.697 -5.174 3.587 1.00 0.00 ? 2 LEU A HD12 18 ATOM 24134 H HD13 . LEU A 1 2 ? -34.811 -4.024 4.587 1.00 0.00 ? 2 LEU A HD13 18 ATOM 24135 H HD21 . LEU A 1 2 ? -33.499 -7.044 2.289 1.00 0.00 ? 2 LEU A HD21 18 ATOM 24136 H HD22 . LEU A 1 2 ? -33.682 -7.850 3.846 1.00 0.00 ? 2 LEU A HD22 18 ATOM 24137 H HD23 . LEU A 1 2 ? -35.071 -7.071 3.088 1.00 0.00 ? 2 LEU A HD23 18 ATOM 24138 N N . LYS A 1 3 ? -29.616 -5.434 2.827 1.00 0.00 ? 3 LYS A N 18 ATOM 24139 C CA . LYS A 1 3 ? -28.361 -5.927 2.259 1.00 0.00 ? 3 LYS A CA 18 ATOM 24140 C C . LYS A 1 3 ? -27.174 -5.615 3.167 1.00 0.00 ? 3 LYS A C 18 ATOM 24141 O O . LYS A 1 3 ? -26.591 -4.533 3.093 1.00 0.00 ? 3 LYS A O 18 ATOM 24142 C CB . LYS A 1 3 ? -28.134 -5.313 0.876 1.00 0.00 ? 3 LYS A CB 18 ATOM 24143 C CG . LYS A 1 3 ? -27.888 -6.341 -0.216 1.00 0.00 ? 3 LYS A CG 18 ATOM 24144 C CD . LYS A 1 3 ? -29.161 -6.645 -0.991 1.00 0.00 ? 3 LYS A CD 18 ATOM 24145 C CE . LYS A 1 3 ? -29.013 -7.902 -1.833 1.00 0.00 ? 3 LYS A CE 18 ATOM 24146 N NZ . LYS A 1 3 ? -30.332 -8.513 -2.157 1.00 0.00 ? 3 LYS A NZ 18 ATOM 24147 H H . LYS A 1 3 ? -30.257 -4.985 2.239 1.00 0.00 ? 3 LYS A H 18 ATOM 24148 H HA . LYS A 1 3 ? -28.445 -6.999 2.154 1.00 0.00 ? 3 LYS A HA 18 ATOM 24149 H HB2 . LYS A 1 3 ? -29.004 -4.733 0.605 1.00 0.00 ? 3 LYS A HB2 18 ATOM 24150 H HB3 . LYS A 1 3 ? -27.277 -4.658 0.923 1.00 0.00 ? 3 LYS A HB3 18 ATOM 24151 H HG2 . LYS A 1 3 ? -27.148 -5.956 -0.899 1.00 0.00 ? 3 LYS A HG2 18 ATOM 24152 H HG3 . LYS A 1 3 ? -27.525 -7.253 0.236 1.00 0.00 ? 3 LYS A HG3 18 ATOM 24153 H HD2 . LYS A 1 3 ? -29.971 -6.787 -0.291 1.00 0.00 ? 3 LYS A HD2 18 ATOM 24154 H HD3 . LYS A 1 3 ? -29.384 -5.812 -1.640 1.00 0.00 ? 3 LYS A HD3 18 ATOM 24155 H HE2 . LYS A 1 3 ? -28.510 -7.646 -2.753 1.00 0.00 ? 3 LYS A HE2 18 ATOM 24156 H HE3 . LYS A 1 3 ? -28.418 -8.619 -1.285 1.00 0.00 ? 3 LYS A HE3 18 ATOM 24157 H HZ1 . LYS A 1 3 ? -30.833 -8.765 -1.281 1.00 0.00 ? 3 LYS A HZ1 18 ATOM 24158 H HZ2 . LYS A 1 3 ? -30.914 -7.842 -2.696 1.00 0.00 ? 3 LYS A HZ2 18 ATOM 24159 H HZ3 . LYS A 1 3 ? -30.197 -9.374 -2.725 1.00 0.00 ? 3 LYS A HZ3 18 ATOM 24160 N N . LYS A 1 4 ? -26.820 -6.571 4.023 1.00 0.00 ? 4 LYS A N 18 ATOM 24161 C CA . LYS A 1 4 ? -25.702 -6.397 4.943 1.00 0.00 ? 4 LYS A CA 18 ATOM 24162 C C . LYS A 1 4 ? -24.450 -7.108 4.436 1.00 0.00 ? 4 LYS A C 18 ATOM 24163 O O . LYS A 1 4 ? -23.529 -7.383 5.205 1.00 0.00 ? 4 LYS A O 18 ATOM 24164 C CB . LYS A 1 4 ? -26.070 -6.921 6.332 1.00 0.00 ? 4 LYS A CB 18 ATOM 24165 C CG . LYS A 1 4 ? -26.296 -8.424 6.376 1.00 0.00 ? 4 LYS A CG 18 ATOM 24166 C CD . LYS A 1 4 ? -25.041 -9.163 6.813 1.00 0.00 ? 4 LYS A CD 18 ATOM 24167 C CE . LYS A 1 4 ? -25.375 -10.513 7.427 1.00 0.00 ? 4 LYS A CE 18 ATOM 24168 N NZ . LYS A 1 4 ? -24.152 -11.251 7.846 1.00 0.00 ? 4 LYS A NZ 18 ATOM 24169 H H . LYS A 1 4 ? -27.323 -7.413 4.034 1.00 0.00 ? 4 LYS A H 18 ATOM 24170 H HA . LYS A 1 4 ? -25.495 -5.340 5.012 1.00 0.00 ? 4 LYS A HA 18 ATOM 24171 H HB2 . LYS A 1 4 ? -25.273 -6.678 7.019 1.00 0.00 ? 4 LYS A HB2 18 ATOM 24172 H HB3 . LYS A 1 4 ? -26.977 -6.432 6.660 1.00 0.00 ? 4 LYS A HB3 18 ATOM 24173 H HG2 . LYS A 1 4 ? -27.089 -8.639 7.078 1.00 0.00 ? 4 LYS A HG2 18 ATOM 24174 H HG3 . LYS A 1 4 ? -26.580 -8.765 5.392 1.00 0.00 ? 4 LYS A HG3 18 ATOM 24175 H HD2 . LYS A 1 4 ? -24.409 -9.318 5.952 1.00 0.00 ? 4 LYS A HD2 18 ATOM 24176 H HD3 . LYS A 1 4 ? -24.518 -8.564 7.544 1.00 0.00 ? 4 LYS A HD3 18 ATOM 24177 H HE2 . LYS A 1 4 ? -26.003 -10.356 8.291 1.00 0.00 ? 4 LYS A HE2 18 ATOM 24178 H HE3 . LYS A 1 4 ? -25.910 -11.103 6.697 1.00 0.00 ? 4 LYS A HE3 18 ATOM 24179 H HZ1 . LYS A 1 4 ? -23.335 -10.938 7.284 1.00 0.00 ? 4 LYS A HZ1 18 ATOM 24180 H HZ2 . LYS A 1 4 ? -23.954 -11.073 8.853 1.00 0.00 ? 4 LYS A HZ2 18 ATOM 24181 H HZ3 . LYS A 1 4 ? -24.284 -12.273 7.705 1.00 0.00 ? 4 LYS A HZ3 18 ATOM 24182 N N . HIS A 1 5 ? -24.417 -7.400 3.138 1.00 0.00 ? 5 HIS A N 18 ATOM 24183 C CA . HIS A 1 5 ? -23.272 -8.073 2.537 1.00 0.00 ? 5 HIS A CA 18 ATOM 24184 C C . HIS A 1 5 ? -22.379 -7.067 1.819 1.00 0.00 ? 5 HIS A C 18 ATOM 24185 O O . HIS A 1 5 ? -21.160 -7.231 1.762 1.00 0.00 ? 5 HIS A O 18 ATOM 24186 C CB . HIS A 1 5 ? -23.736 -9.152 1.555 1.00 0.00 ? 5 HIS A CB 18 ATOM 24187 C CG . HIS A 1 5 ? -24.987 -9.857 1.983 1.00 0.00 ? 5 HIS A CG 18 ATOM 24188 N ND1 . HIS A 1 5 ? -25.318 -10.069 3.305 1.00 0.00 ? 5 HIS A ND1 18 ATOM 24189 C CD2 . HIS A 1 5 ? -25.990 -10.399 1.253 1.00 0.00 ? 5 HIS A CD2 18 ATOM 24190 C CE1 . HIS A 1 5 ? -26.471 -10.712 3.370 1.00 0.00 ? 5 HIS A CE1 18 ATOM 24191 N NE2 . HIS A 1 5 ? -26.899 -10.923 2.140 1.00 0.00 ? 5 HIS A NE2 18 ATOM 24192 H H . HIS A 1 5 ? -25.176 -7.153 2.571 1.00 0.00 ? 5 HIS A H 18 ATOM 24193 H HA . HIS A 1 5 ? -22.706 -8.538 3.331 1.00 0.00 ? 5 HIS A HA 18 ATOM 24194 H HB2 . HIS A 1 5 ? -23.925 -8.696 0.596 1.00 0.00 ? 5 HIS A HB2 18 ATOM 24195 H HB3 . HIS A 1 5 ? -22.956 -9.892 1.450 1.00 0.00 ? 5 HIS A HB3 18 ATOM 24196 H HD1 . HIS A 1 5 ? -24.788 -9.790 4.080 1.00 0.00 ? 5 HIS A HD1 18 ATOM 24197 H HD2 . HIS A 1 5 ? -26.062 -10.416 0.175 1.00 0.00 ? 5 HIS A HD2 18 ATOM 24198 H HE1 . HIS A 1 5 ? -26.977 -11.012 4.276 1.00 0.00 ? 5 HIS A HE1 18 ATOM 24199 H HE2 . HIS A 1 5 ? -27.732 -11.381 1.900 1.00 0.00 ? 5 HIS A HE2 18 ATOM 24200 N N . HIS A 1 6 ? -22.999 -6.026 1.275 1.00 0.00 ? 6 HIS A N 18 ATOM 24201 C CA . HIS A 1 6 ? -22.267 -4.987 0.561 1.00 0.00 ? 6 HIS A CA 18 ATOM 24202 C C . HIS A 1 6 ? -21.504 -4.093 1.531 1.00 0.00 ? 6 HIS A C 18 ATOM 24203 O O . HIS A 1 6 ? -20.377 -3.687 1.256 1.00 0.00 ? 6 HIS A O 18 ATOM 24204 C CB . HIS A 1 6 ? -23.228 -4.144 -0.279 1.00 0.00 ? 6 HIS A CB 18 ATOM 24205 C CG . HIS A 1 6 ? -23.472 -4.700 -1.648 1.00 0.00 ? 6 HIS A CG 18 ATOM 24206 N ND1 . HIS A 1 6 ? -23.525 -6.052 -1.913 1.00 0.00 ? 6 HIS A ND1 18 ATOM 24207 C CD2 . HIS A 1 6 ? -23.678 -4.078 -2.833 1.00 0.00 ? 6 HIS A CD2 18 ATOM 24208 C CE1 . HIS A 1 6 ? -23.752 -6.238 -3.201 1.00 0.00 ? 6 HIS A CE1 18 ATOM 24209 N NE2 . HIS A 1 6 ? -23.849 -5.057 -3.780 1.00 0.00 ? 6 HIS A NE2 18 ATOM 24210 H H . HIS A 1 6 ? -23.972 -5.952 1.358 1.00 0.00 ? 6 HIS A H 18 ATOM 24211 H HA . HIS A 1 6 ? -21.559 -5.472 -0.096 1.00 0.00 ? 6 HIS A HA 18 ATOM 24212 H HB2 . HIS A 1 6 ? -24.179 -4.083 0.228 1.00 0.00 ? 6 HIS A HB2 18 ATOM 24213 H HB3 . HIS A 1 6 ? -22.821 -3.150 -0.391 1.00 0.00 ? 6 HIS A HB3 18 ATOM 24214 H HD1 . HIS A 1 6 ? -23.412 -6.770 -1.254 1.00 0.00 ? 6 HIS A HD1 18 ATOM 24215 H HD2 . HIS A 1 6 ? -23.703 -3.010 -3.001 1.00 0.00 ? 6 HIS A HD2 18 ATOM 24216 H HE1 . HIS A 1 6 ? -23.845 -7.195 -3.695 1.00 0.00 ? 6 HIS A HE1 18 ATOM 24217 H HE2 . HIS A 1 6 ? -24.018 -4.906 -4.734 1.00 0.00 ? 6 HIS A HE2 18 ATOM 24218 N N . GLU A 1 7 ? -22.122 -3.790 2.668 1.00 0.00 ? 7 GLU A N 18 ATOM 24219 C CA . GLU A 1 7 ? -21.491 -2.941 3.672 1.00 0.00 ? 7 GLU A CA 18 ATOM 24220 C C . GLU A 1 7 ? -20.308 -3.654 4.317 1.00 0.00 ? 7 GLU A C 18 ATOM 24221 O O . GLU A 1 7 ? -19.318 -3.023 4.687 1.00 0.00 ? 7 GLU A O 18 ATOM 24222 C CB . GLU A 1 7 ? -22.506 -2.536 4.743 1.00 0.00 ? 7 GLU A CB 18 ATOM 24223 C CG . GLU A 1 7 ? -23.819 -2.025 4.174 1.00 0.00 ? 7 GLU A CG 18 ATOM 24224 C CD . GLU A 1 7 ? -25.027 -2.643 4.851 1.00 0.00 ? 7 GLU A CD 18 ATOM 24225 O OE1 . GLU A 1 7 ? -24.852 -3.286 5.906 1.00 0.00 ? 7 GLU A OE1 18 ATOM 24226 O OE2 . GLU A 1 7 ? -26.149 -2.484 4.324 1.00 0.00 ? 7 GLU A OE2 18 ATOM 24227 H H . GLU A 1 7 ? -23.022 -4.143 2.834 1.00 0.00 ? 7 GLU A H 18 ATOM 24228 H HA . GLU A 1 7 ? -21.129 -2.054 3.174 1.00 0.00 ? 7 GLU A HA 18 ATOM 24229 H HB2 . GLU A 1 7 ? -22.717 -3.392 5.366 1.00 0.00 ? 7 GLU A HB2 18 ATOM 24230 H HB3 . GLU A 1 7 ? -22.075 -1.755 5.353 1.00 0.00 ? 7 GLU A HB3 18 ATOM 24231 H HG2 . GLU A 1 7 ? -23.862 -0.954 4.305 1.00 0.00 ? 7 GLU A HG2 18 ATOM 24232 H HG3 . GLU A 1 7 ? -23.855 -2.259 3.121 1.00 0.00 ? 7 GLU A HG3 18 ATOM 24233 N N . ASN A 1 8 ? -20.414 -4.971 4.442 1.00 0.00 ? 8 ASN A N 18 ATOM 24234 C CA . ASN A 1 8 ? -19.345 -5.766 5.033 1.00 0.00 ? 8 ASN A CA 18 ATOM 24235 C C . ASN A 1 8 ? -18.129 -5.785 4.114 1.00 0.00 ? 8 ASN A C 18 ATOM 24236 O O . ASN A 1 8 ? -16.992 -5.630 4.563 1.00 0.00 ? 8 ASN A O 18 ATOM 24237 C CB . ASN A 1 8 ? -19.825 -7.194 5.296 1.00 0.00 ? 8 ASN A CB 18 ATOM 24238 C CG . ASN A 1 8 ? -20.005 -7.479 6.775 1.00 0.00 ? 8 ASN A CG 18 ATOM 24239 O OD1 . ASN A 1 8 ? -19.635 -6.670 7.625 1.00 0.00 ? 8 ASN A OD1 18 ATOM 24240 N ND2 . ASN A 1 8 ? -20.574 -8.638 7.089 1.00 0.00 ? 8 ASN A ND2 18 ATOM 24241 H H . ASN A 1 8 ? -21.225 -5.419 4.123 1.00 0.00 ? 8 ASN A H 18 ATOM 24242 H HA . ASN A 1 8 ? -19.068 -5.306 5.970 1.00 0.00 ? 8 ASN A HA 18 ATOM 24243 H HB2 . ASN A 1 8 ? -20.773 -7.346 4.803 1.00 0.00 ? 8 ASN A HB2 18 ATOM 24244 H HB3 . ASN A 1 8 ? -19.101 -7.890 4.899 1.00 0.00 ? 8 ASN A HB3 18 ATOM 24245 H HD21 . ASN A 1 8 ? -20.843 -9.234 6.359 1.00 0.00 ? 8 ASN A HD21 18 ATOM 24246 H HD22 . ASN A 1 8 ? -20.703 -8.848 8.037 1.00 0.00 ? 8 ASN A HD22 18 ATOM 24247 N N . GLU A 1 9 ? -18.381 -5.969 2.822 1.00 0.00 ? 9 GLU A N 18 ATOM 24248 C CA . GLU A 1 9 ? -17.310 -6.002 1.835 1.00 0.00 ? 9 GLU A CA 18 ATOM 24249 C C . GLU A 1 9 ? -16.555 -4.683 1.816 1.00 0.00 ? 9 GLU A C 18 ATOM 24250 O O . GLU A 1 9 ? -15.324 -4.666 1.824 1.00 0.00 ? 9 GLU A O 18 ATOM 24251 C CB . GLU A 1 9 ? -17.873 -6.306 0.446 1.00 0.00 ? 9 GLU A CB 18 ATOM 24252 C CG . GLU A 1 9 ? -16.815 -6.736 -0.558 1.00 0.00 ? 9 GLU A CG 18 ATOM 24253 C CD . GLU A 1 9 ? -17.227 -6.460 -1.992 1.00 0.00 ? 9 GLU A CD 18 ATOM 24254 O OE1 . GLU A 1 9 ? -18.363 -5.987 -2.203 1.00 0.00 ? 9 GLU A OE1 18 ATOM 24255 O OE2 . GLU A 1 9 ? -16.412 -6.716 -2.903 1.00 0.00 ? 9 GLU A OE2 18 ATOM 24256 H H . GLU A 1 9 ? -19.309 -6.081 2.525 1.00 0.00 ? 9 GLU A H 18 ATOM 24257 H HA . GLU A 1 9 ? -16.624 -6.785 2.118 1.00 0.00 ? 9 GLU A HA 18 ATOM 24258 H HB2 . GLU A 1 9 ? -18.601 -7.099 0.530 1.00 0.00 ? 9 GLU A HB2 18 ATOM 24259 H HB3 . GLU A 1 9 ? -18.360 -5.421 0.066 1.00 0.00 ? 9 GLU A HB3 18 ATOM 24260 H HG2 . GLU A 1 9 ? -15.902 -6.198 -0.353 1.00 0.00 ? 9 GLU A HG2 18 ATOM 24261 H HG3 . GLU A 1 9 ? -16.642 -7.796 -0.447 1.00 0.00 ? 9 GLU A HG3 18 ATOM 24262 N N . ILE A 1 10 ? -17.289 -3.576 1.802 1.00 0.00 ? 10 ILE A N 18 ATOM 24263 C CA . ILE A 1 10 ? -16.657 -2.268 1.796 1.00 0.00 ? 10 ILE A CA 18 ATOM 24264 C C . ILE A 1 10 ? -15.960 -2.015 3.122 1.00 0.00 ? 10 ILE A C 18 ATOM 24265 O O . ILE A 1 10 ? -14.981 -1.282 3.187 1.00 0.00 ? 10 ILE A O 18 ATOM 24266 C CB . ILE A 1 10 ? -17.659 -1.135 1.507 1.00 0.00 ? 10 ILE A CB 18 ATOM 24267 C CG1 . ILE A 1 10 ? -18.648 -0.967 2.657 1.00 0.00 ? 10 ILE A CG1 18 ATOM 24268 C CG2 . ILE A 1 10 ? -18.400 -1.409 0.211 1.00 0.00 ? 10 ILE A CG2 18 ATOM 24269 C CD1 . ILE A 1 10 ? -19.681 0.106 2.395 1.00 0.00 ? 10 ILE A CD1 18 ATOM 24270 H H . ILE A 1 10 ? -18.268 -3.641 1.806 1.00 0.00 ? 10 ILE A H 18 ATOM 24271 H HA . ILE A 1 10 ? -15.914 -2.268 1.012 1.00 0.00 ? 10 ILE A HA 18 ATOM 24272 H HB . ILE A 1 10 ? -17.103 -0.218 1.385 1.00 0.00 ? 10 ILE A HB 18 ATOM 24273 H HG12 . ILE A 1 10 ? -19.170 -1.899 2.817 1.00 0.00 ? 10 ILE A HG12 18 ATOM 24274 H HG13 . ILE A 1 10 ? -18.110 -0.701 3.555 1.00 0.00 ? 10 ILE A HG13 18 ATOM 24275 H HG21 . ILE A 1 10 ? -17.688 -1.528 -0.592 1.00 0.00 ? 10 ILE A HG21 18 ATOM 24276 H HG22 . ILE A 1 10 ? -18.981 -2.312 0.312 1.00 0.00 ? 10 ILE A HG22 18 ATOM 24277 H HG23 . ILE A 1 10 ? -19.058 -0.580 -0.007 1.00 0.00 ? 10 ILE A HG23 18 ATOM 24278 H HD11 . ILE A 1 10 ? -19.481 0.571 1.438 1.00 0.00 ? 10 ILE A HD11 18 ATOM 24279 H HD12 . ILE A 1 10 ? -20.666 -0.336 2.381 1.00 0.00 ? 10 ILE A HD12 18 ATOM 24280 H HD13 . ILE A 1 10 ? -19.632 0.852 3.175 1.00 0.00 ? 10 ILE A HD13 18 ATOM 24281 N N . SER A 1 11 ? -16.456 -2.649 4.179 1.00 0.00 ? 11 SER A N 18 ATOM 24282 C CA . SER A 1 11 ? -15.851 -2.504 5.493 1.00 0.00 ? 11 SER A CA 18 ATOM 24283 C C . SER A 1 11 ? -14.400 -2.964 5.440 1.00 0.00 ? 11 SER A C 18 ATOM 24284 O O . SER A 1 11 ? -13.502 -2.313 5.981 1.00 0.00 ? 11 SER A O 18 ATOM 24285 C CB . SER A 1 11 ? -16.624 -3.314 6.535 1.00 0.00 ? 11 SER A CB 18 ATOM 24286 O OG . SER A 1 11 ? -17.105 -2.482 7.575 1.00 0.00 ? 11 SER A OG 18 ATOM 24287 H H . SER A 1 11 ? -17.229 -3.241 4.067 1.00 0.00 ? 11 SER A H 18 ATOM 24288 H HA . SER A 1 11 ? -15.878 -1.458 5.761 1.00 0.00 ? 11 SER A HA 18 ATOM 24289 H HB2 . SER A 1 11 ? -17.466 -3.797 6.060 1.00 0.00 ? 11 SER A HB2 18 ATOM 24290 H HB3 . SER A 1 11 ? -15.974 -4.064 6.961 1.00 0.00 ? 11 SER A HB3 18 ATOM 24291 H HG . SER A 1 11 ? -17.234 -3.005 8.370 1.00 0.00 ? 11 SER A HG 18 ATOM 24292 N N . HIS A 1 12 ? -14.175 -4.088 4.762 1.00 0.00 ? 12 HIS A N 18 ATOM 24293 C CA . HIS A 1 12 ? -12.834 -4.627 4.617 1.00 0.00 ? 12 HIS A CA 18 ATOM 24294 C C . HIS A 1 12 ? -12.001 -3.699 3.726 1.00 0.00 ? 12 HIS A C 18 ATOM 24295 O O . HIS A 1 12 ? -10.823 -3.462 3.993 1.00 0.00 ? 12 HIS A O 18 ATOM 24296 C CB . HIS A 1 12 ? -12.910 -6.071 4.067 1.00 0.00 ? 12 HIS A CB 18 ATOM 24297 C CG . HIS A 1 12 ? -11.952 -6.401 2.959 1.00 0.00 ? 12 HIS A CG 18 ATOM 24298 N ND1 . HIS A 1 12 ? -10.678 -6.882 3.176 1.00 0.00 ? 12 HIS A ND1 18 ATOM 24299 C CD2 . HIS A 1 12 ? -12.096 -6.316 1.618 1.00 0.00 ? 12 HIS A CD2 18 ATOM 24300 C CE1 . HIS A 1 12 ? -10.078 -7.077 2.014 1.00 0.00 ? 12 HIS A CE1 18 ATOM 24301 N NE2 . HIS A 1 12 ? -10.919 -6.742 1.053 1.00 0.00 ? 12 HIS A NE2 18 ATOM 24302 H H . HIS A 1 12 ? -14.930 -4.557 4.336 1.00 0.00 ? 12 HIS A H 18 ATOM 24303 H HA . HIS A 1 12 ? -12.385 -4.650 5.600 1.00 0.00 ? 12 HIS A HA 18 ATOM 24304 H HB2 . HIS A 1 12 ? -12.715 -6.758 4.876 1.00 0.00 ? 12 HIS A HB2 18 ATOM 24305 H HB3 . HIS A 1 12 ? -13.912 -6.246 3.698 1.00 0.00 ? 12 HIS A HB3 18 ATOM 24306 H HD1 . HIS A 1 12 ? -10.271 -7.054 4.052 1.00 0.00 ? 12 HIS A HD1 18 ATOM 24307 H HD2 . HIS A 1 12 ? -12.976 -5.976 1.091 1.00 0.00 ? 12 HIS A HD2 18 ATOM 24308 H HE1 . HIS A 1 12 ? -9.074 -7.449 1.875 1.00 0.00 ? 12 HIS A HE1 18 ATOM 24309 H HE2 . HIS A 1 12 ? -10.731 -6.790 0.093 1.00 0.00 ? 12 HIS A HE2 18 ATOM 24310 N N . HIS A 1 13 ? -12.627 -3.165 2.680 1.00 0.00 ? 13 HIS A N 18 ATOM 24311 C CA . HIS A 1 13 ? -11.942 -2.254 1.769 1.00 0.00 ? 13 HIS A CA 18 ATOM 24312 C C . HIS A 1 13 ? -11.484 -1.006 2.510 1.00 0.00 ? 13 HIS A C 18 ATOM 24313 O O . HIS A 1 13 ? -10.521 -0.357 2.110 1.00 0.00 ? 13 HIS A O 18 ATOM 24314 C CB . HIS A 1 13 ? -12.851 -1.846 0.612 1.00 0.00 ? 13 HIS A CB 18 ATOM 24315 C CG . HIS A 1 13 ? -13.410 -2.993 -0.164 1.00 0.00 ? 13 HIS A CG 18 ATOM 24316 N ND1 . HIS A 1 13 ? -12.753 -4.194 -0.329 1.00 0.00 ? 13 HIS A ND1 18 ATOM 24317 C CD2 . HIS A 1 13 ? -14.577 -3.108 -0.834 1.00 0.00 ? 13 HIS A CD2 18 ATOM 24318 C CE1 . HIS A 1 13 ? -13.493 -4.999 -1.071 1.00 0.00 ? 13 HIS A CE1 18 ATOM 24319 N NE2 . HIS A 1 13 ? -14.605 -4.364 -1.389 1.00 0.00 ? 13 HIS A NE2 18 ATOM 24320 H H . HIS A 1 13 ? -13.570 -3.381 2.523 1.00 0.00 ? 13 HIS A H 18 ATOM 24321 H HA . HIS A 1 13 ? -11.076 -2.765 1.375 1.00 0.00 ? 13 HIS A HA 18 ATOM 24322 H HB2 . HIS A 1 13 ? -13.681 -1.276 1.001 1.00 0.00 ? 13 HIS A HB2 18 ATOM 24323 H HB3 . HIS A 1 13 ? -12.288 -1.227 -0.072 1.00 0.00 ? 13 HIS A HB3 18 ATOM 24324 H HD1 . HIS A 1 13 ? -11.874 -4.421 0.041 1.00 0.00 ? 13 HIS A HD1 18 ATOM 24325 H HD2 . HIS A 1 13 ? -15.341 -2.350 -0.916 1.00 0.00 ? 13 HIS A HD2 18 ATOM 24326 H HE1 . HIS A 1 13 ? -13.233 -6.005 -1.364 1.00 0.00 ? 13 HIS A HE1 18 ATOM 24327 H HE2 . HIS A 1 13 ? -15.333 -4.731 -1.934 1.00 0.00 ? 13 HIS A HE2 18 ATOM 24328 N N . ALA A 1 14 ? -12.180 -0.678 3.596 1.00 0.00 ? 14 ALA A N 18 ATOM 24329 C CA . ALA A 1 14 ? -11.836 0.489 4.394 1.00 0.00 ? 14 ALA A CA 18 ATOM 24330 C C . ALA A 1 14 ? -10.541 0.234 5.142 1.00 0.00 ? 14 ALA A C 18 ATOM 24331 O O . ALA A 1 14 ? -9.583 0.997 5.028 1.00 0.00 ? 14 ALA A O 18 ATOM 24332 C CB . ALA A 1 14 ? -12.961 0.824 5.363 1.00 0.00 ? 14 ALA A CB 18 ATOM 24333 H H . ALA A 1 14 ? -12.934 -1.238 3.868 1.00 0.00 ? 14 ALA A H 18 ATOM 24334 H HA . ALA A 1 14 ? -11.698 1.327 3.725 1.00 0.00 ? 14 ALA A HA 18 ATOM 24335 H HB1 . ALA A 1 14 ? -12.659 1.648 5.993 1.00 0.00 ? 14 ALA A HB1 18 ATOM 24336 H HB2 . ALA A 1 14 ? -13.844 1.102 4.807 1.00 0.00 ? 14 ALA A HB2 18 ATOM 24337 H HB3 . ALA A 1 14 ? -13.177 -0.038 5.975 1.00 0.00 ? 14 ALA A HB3 18 ATOM 24338 N N . LYS A 1 15 ? -10.512 -0.862 5.888 1.00 0.00 ? 15 LYS A N 18 ATOM 24339 C CA . LYS A 1 15 ? -9.318 -1.235 6.629 1.00 0.00 ? 15 LYS A CA 18 ATOM 24340 C C . LYS A 1 15 ? -8.209 -1.671 5.670 1.00 0.00 ? 15 LYS A C 18 ATOM 24341 O O . LYS A 1 15 ? -7.058 -1.836 6.075 1.00 0.00 ? 15 LYS A O 18 ATOM 24342 C CB . LYS A 1 15 ? -9.633 -2.362 7.615 1.00 0.00 ? 15 LYS A CB 18 ATOM 24343 C CG . LYS A 1 15 ? -10.727 -2.012 8.611 1.00 0.00 ? 15 LYS A CG 18 ATOM 24344 C CD . LYS A 1 15 ? -10.518 -2.720 9.940 1.00 0.00 ? 15 LYS A CD 18 ATOM 24345 C CE . LYS A 1 15 ? -10.133 -1.743 11.038 1.00 0.00 ? 15 LYS A CE 18 ATOM 24346 N NZ . LYS A 1 15 ? -11.327 -1.204 11.744 1.00 0.00 ? 15 LYS A NZ 18 ATOM 24347 H H . LYS A 1 15 ? -11.304 -1.442 5.923 1.00 0.00 ? 15 LYS A H 18 ATOM 24348 H HA . LYS A 1 15 ? -8.984 -0.368 7.178 1.00 0.00 ? 15 LYS A HA 18 ATOM 24349 H HB2 . LYS A 1 15 ? -9.949 -3.233 7.058 1.00 0.00 ? 15 LYS A HB2 18 ATOM 24350 H HB3 . LYS A 1 15 ? -8.737 -2.604 8.166 1.00 0.00 ? 15 LYS A HB3 18 ATOM 24351 H HG2 . LYS A 1 15 ? -10.719 -0.945 8.779 1.00 0.00 ? 15 LYS A HG2 18 ATOM 24352 H HG3 . LYS A 1 15 ? -11.681 -2.307 8.201 1.00 0.00 ? 15 LYS A HG3 18 ATOM 24353 H HD2 . LYS A 1 15 ? -11.434 -3.218 10.219 1.00 0.00 ? 15 LYS A HD2 18 ATOM 24354 H HD3 . LYS A 1 15 ? -9.729 -3.450 9.826 1.00 0.00 ? 15 LYS A HD3 18 ATOM 24355 H HE2 . LYS A 1 15 ? -9.504 -2.253 11.752 1.00 0.00 ? 15 LYS A HE2 18 ATOM 24356 H HE3 . LYS A 1 15 ? -9.585 -0.924 10.598 1.00 0.00 ? 15 LYS A HE3 18 ATOM 24357 H HZ1 . LYS A 1 15 ? -12.194 -1.454 11.226 1.00 0.00 ? 15 LYS A HZ1 18 ATOM 24358 H HZ2 . LYS A 1 15 ? -11.386 -1.601 12.704 1.00 0.00 ? 15 LYS A HZ2 18 ATOM 24359 H HZ3 . LYS A 1 15 ? -11.265 -0.168 11.812 1.00 0.00 ? 15 LYS A HZ3 18 ATOM 24360 N N . GLU A 1 16 ? -8.561 -1.857 4.393 1.00 0.00 ? 16 GLU A N 18 ATOM 24361 C CA . GLU A 1 16 ? -7.594 -2.273 3.387 1.00 0.00 ? 16 GLU A CA 18 ATOM 24362 C C . GLU A 1 16 ? -6.861 -1.071 2.799 1.00 0.00 ? 16 GLU A C 18 ATOM 24363 O O . GLU A 1 16 ? -5.666 -1.144 2.527 1.00 0.00 ? 16 GLU A O 18 ATOM 24364 C CB . GLU A 1 16 ? -8.287 -3.060 2.273 1.00 0.00 ? 16 GLU A CB 18 ATOM 24365 C CG . GLU A 1 16 ? -8.414 -4.548 2.562 1.00 0.00 ? 16 GLU A CG 18 ATOM 24366 C CD . GLU A 1 16 ? -7.105 -5.174 3.000 1.00 0.00 ? 16 GLU A CD 18 ATOM 24367 O OE1 . GLU A 1 16 ? -6.041 -4.581 2.726 1.00 0.00 ? 16 GLU A OE1 18 ATOM 24368 O OE2 . GLU A 1 16 ? -7.144 -6.259 3.618 1.00 0.00 ? 16 GLU A OE2 18 ATOM 24369 H H . GLU A 1 16 ? -9.490 -1.715 4.122 1.00 0.00 ? 16 GLU A H 18 ATOM 24370 H HA . GLU A 1 16 ? -6.871 -2.912 3.871 1.00 0.00 ? 16 GLU A HA 18 ATOM 24371 H HB2 . GLU A 1 16 ? -9.278 -2.658 2.128 1.00 0.00 ? 16 GLU A HB2 18 ATOM 24372 H HB3 . GLU A 1 16 ? -7.722 -2.940 1.360 1.00 0.00 ? 16 GLU A HB3 18 ATOM 24373 H HG2 . GLU A 1 16 ? -9.141 -4.688 3.347 1.00 0.00 ? 16 GLU A HG2 18 ATOM 24374 H HG3 . GLU A 1 16 ? -8.753 -5.047 1.666 1.00 0.00 ? 16 GLU A HG3 18 ATOM 24375 N N . ILE A 1 17 ? -7.576 0.039 2.607 1.00 0.00 ? 17 ILE A N 18 ATOM 24376 C CA . ILE A 1 17 ? -6.963 1.245 2.059 1.00 0.00 ? 17 ILE A CA 18 ATOM 24377 C C . ILE A 1 17 ? -6.102 1.928 3.118 1.00 0.00 ? 17 ILE A C 18 ATOM 24378 O O . ILE A 1 17 ? -5.071 2.528 2.806 1.00 0.00 ? 17 ILE A O 18 ATOM 24379 C CB . ILE A 1 17 ? -8.028 2.233 1.524 1.00 0.00 ? 17 ILE A CB 18 ATOM 24380 C CG1 . ILE A 1 17 ? -7.383 3.568 1.126 1.00 0.00 ? 17 ILE A CG1 18 ATOM 24381 C CG2 . ILE A 1 17 ? -9.121 2.447 2.562 1.00 0.00 ? 17 ILE A CG2 18 ATOM 24382 C CD1 . ILE A 1 17 ? -8.378 4.627 0.702 1.00 0.00 ? 17 ILE A CD1 18 ATOM 24383 H H . ILE A 1 17 ? -8.530 0.050 2.847 1.00 0.00 ? 17 ILE A H 18 ATOM 24384 H HA . ILE A 1 17 ? -6.328 0.952 1.233 1.00 0.00 ? 17 ILE A HA 18 ATOM 24385 H HB . ILE A 1 17 ? -8.484 1.790 0.651 1.00 0.00 ? 17 ILE A HB 18 ATOM 24386 H HG12 . ILE A 1 17 ? -6.826 3.957 1.965 1.00 0.00 ? 17 ILE A HG12 18 ATOM 24387 H HG13 . ILE A 1 17 ? -6.707 3.400 0.300 1.00 0.00 ? 17 ILE A HG13 18 ATOM 24388 H HG21 . ILE A 1 17 ? -8.702 2.341 3.551 1.00 0.00 ? 17 ILE A HG21 18 ATOM 24389 H HG22 . ILE A 1 17 ? -9.537 3.438 2.454 1.00 0.00 ? 17 ILE A HG22 18 ATOM 24390 H HG23 . ILE A 1 17 ? -9.900 1.714 2.419 1.00 0.00 ? 17 ILE A HG23 18 ATOM 24391 H HD11 . ILE A 1 17 ? -9.204 4.160 0.187 1.00 0.00 ? 17 ILE A HD11 18 ATOM 24392 H HD12 . ILE A 1 17 ? -8.746 5.145 1.576 1.00 0.00 ? 17 ILE A HD12 18 ATOM 24393 H HD13 . ILE A 1 17 ? -7.895 5.333 0.043 1.00 0.00 ? 17 ILE A HD13 18 ATOM 24394 N N . GLU A 1 18 ? -6.524 1.825 4.374 1.00 0.00 ? 18 GLU A N 18 ATOM 24395 C CA . GLU A 1 18 ? -5.785 2.425 5.476 1.00 0.00 ? 18 GLU A CA 18 ATOM 24396 C C . GLU A 1 18 ? -4.565 1.581 5.828 1.00 0.00 ? 18 GLU A C 18 ATOM 24397 O O . GLU A 1 18 ? -3.485 2.111 6.093 1.00 0.00 ? 18 GLU A O 18 ATOM 24398 C CB . GLU A 1 18 ? -6.686 2.579 6.702 1.00 0.00 ? 18 GLU A CB 18 ATOM 24399 C CG . GLU A 1 18 ? -7.623 3.773 6.622 1.00 0.00 ? 18 GLU A CG 18 ATOM 24400 C CD . GLU A 1 18 ? -8.347 4.035 7.929 1.00 0.00 ? 18 GLU A CD 18 ATOM 24401 O OE1 . GLU A 1 18 ? -7.782 3.710 8.995 1.00 0.00 ? 18 GLU A OE1 18 ATOM 24402 O OE2 . GLU A 1 18 ? -9.477 4.565 7.886 1.00 0.00 ? 18 GLU A OE2 18 ATOM 24403 H H . GLU A 1 18 ? -7.349 1.327 4.564 1.00 0.00 ? 18 GLU A H 18 ATOM 24404 H HA . GLU A 1 18 ? -5.452 3.401 5.159 1.00 0.00 ? 18 GLU A HA 18 ATOM 24405 H HB2 . GLU A 1 18 ? -7.284 1.686 6.810 1.00 0.00 ? 18 GLU A HB2 18 ATOM 24406 H HB3 . GLU A 1 18 ? -6.066 2.694 7.578 1.00 0.00 ? 18 GLU A HB3 18 ATOM 24407 H HG2 . GLU A 1 18 ? -7.048 4.650 6.365 1.00 0.00 ? 18 GLU A HG2 18 ATOM 24408 H HG3 . GLU A 1 18 ? -8.358 3.586 5.852 1.00 0.00 ? 18 GLU A HG3 18 ATOM 24409 N N . ARG A 1 19 ? -4.742 0.263 5.822 1.00 0.00 ? 19 ARG A N 18 ATOM 24410 C CA . ARG A 1 19 ? -3.652 -0.651 6.134 1.00 0.00 ? 19 ARG A CA 18 ATOM 24411 C C . ARG A 1 19 ? -2.658 -0.717 4.981 1.00 0.00 ? 19 ARG A C 18 ATOM 24412 O O . ARG A 1 19 ? -1.480 -1.011 5.181 1.00 0.00 ? 19 ARG A O 18 ATOM 24413 C CB . ARG A 1 19 ? -4.197 -2.048 6.439 1.00 0.00 ? 19 ARG A CB 18 ATOM 24414 C CG . ARG A 1 19 ? -3.217 -2.934 7.191 1.00 0.00 ? 19 ARG A CG 18 ATOM 24415 C CD . ARG A 1 19 ? -3.801 -4.312 7.457 1.00 0.00 ? 19 ARG A CD 18 ATOM 24416 N NE . ARG A 1 19 ? -3.453 -5.266 6.408 1.00 0.00 ? 19 ARG A NE 18 ATOM 24417 C CZ . ARG A 1 19 ? -2.208 -5.644 6.141 1.00 0.00 ? 19 ARG A CZ 18 ATOM 24418 N NH1 . ARG A 1 19 ? -1.197 -5.150 6.842 1.00 0.00 ? 19 ARG A NH1 18 ATOM 24419 N NH2 . ARG A 1 19 ? -1.972 -6.517 5.170 1.00 0.00 ? 19 ARG A NH2 18 ATOM 24420 H H . ARG A 1 19 ? -5.624 -0.103 5.597 1.00 0.00 ? 19 ARG A H 18 ATOM 24421 H HA . ARG A 1 19 ? -3.144 -0.273 7.009 1.00 0.00 ? 19 ARG A HA 18 ATOM 24422 H HB2 . ARG A 1 19 ? -5.093 -1.952 7.035 1.00 0.00 ? 19 ARG A HB2 18 ATOM 24423 H HB3 . ARG A 1 19 ? -4.447 -2.535 5.507 1.00 0.00 ? 19 ARG A HB3 18 ATOM 24424 H HG2 . ARG A 1 19 ? -2.320 -3.042 6.601 1.00 0.00 ? 19 ARG A HG2 18 ATOM 24425 H HG3 . ARG A 1 19 ? -2.976 -2.466 8.134 1.00 0.00 ? 19 ARG A HG3 18 ATOM 24426 H HD2 . ARG A 1 19 ? -3.420 -4.674 8.400 1.00 0.00 ? 19 ARG A HD2 18 ATOM 24427 H HD3 . ARG A 1 19 ? -4.876 -4.228 7.513 1.00 0.00 ? 19 ARG A HD3 18 ATOM 24428 H HE . ARG A 1 19 ? -4.186 -5.643 5.877 1.00 0.00 ? 19 ARG A HE 18 ATOM 24429 H HH11 . ARG A 1 19 ? -1.372 -4.492 7.575 1.00 0.00 ? 19 ARG A HH11 18 ATOM 24430 H HH12 . ARG A 1 19 ? -0.261 -5.436 6.639 1.00 0.00 ? 19 ARG A HH12 18 ATOM 24431 H HH21 . ARG A 1 19 ? -2.733 -6.892 4.639 1.00 0.00 ? 19 ARG A HH21 18 ATOM 24432 H HH22 . ARG A 1 19 ? -1.034 -6.800 4.970 1.00 0.00 ? 19 ARG A HH22 18 ATOM 24433 N N . LEU A 1 20 ? -3.139 -0.432 3.775 1.00 0.00 ? 20 LEU A N 18 ATOM 24434 C CA . LEU A 1 20 ? -2.286 -0.450 2.597 1.00 0.00 ? 20 LEU A CA 18 ATOM 24435 C C . LEU A 1 20 ? -1.379 0.772 2.588 1.00 0.00 ? 20 LEU A C 18 ATOM 24436 O O . LEU A 1 20 ? -0.206 0.683 2.233 1.00 0.00 ? 20 LEU A O 18 ATOM 24437 C CB . LEU A 1 20 ? -3.129 -0.490 1.321 1.00 0.00 ? 20 LEU A CB 18 ATOM 24438 C CG . LEU A 1 20 ? -3.363 -1.884 0.734 1.00 0.00 ? 20 LEU A CG 18 ATOM 24439 C CD1 . LEU A 1 20 ? -2.135 -2.350 -0.033 1.00 0.00 ? 20 LEU A CD1 18 ATOM 24440 C CD2 . LEU A 1 20 ? -3.714 -2.878 1.832 1.00 0.00 ? 20 LEU A CD2 18 ATOM 24441 H H . LEU A 1 20 ? -4.084 -0.196 3.678 1.00 0.00 ? 20 LEU A H 18 ATOM 24442 H HA . LEU A 1 20 ? -1.674 -1.339 2.644 1.00 0.00 ? 20 LEU A HA 18 ATOM 24443 H HB2 . LEU A 1 20 ? -4.089 -0.043 1.534 1.00 0.00 ? 20 LEU A HB2 18 ATOM 24444 H HB3 . LEU A 1 20 ? -2.635 0.108 0.573 1.00 0.00 ? 20 LEU A HB3 18 ATOM 24445 H HG . LEU A 1 20 ? -4.191 -1.842 0.042 1.00 0.00 ? 20 LEU A HG 18 ATOM 24446 H HD11 . LEU A 1 20 ? -1.900 -1.633 -0.805 1.00 0.00 ? 20 LEU A HD11 18 ATOM 24447 H HD12 . LEU A 1 20 ? -1.298 -2.438 0.645 1.00 0.00 ? 20 LEU A HD12 18 ATOM 24448 H HD13 . LEU A 1 20 ? -2.335 -3.312 -0.483 1.00 0.00 ? 20 LEU A HD13 18 ATOM 24449 H HD21 . LEU A 1 20 ? -3.859 -2.350 2.763 1.00 0.00 ? 20 LEU A HD21 18 ATOM 24450 H HD22 . LEU A 1 20 ? -4.623 -3.398 1.567 1.00 0.00 ? 20 LEU A HD22 18 ATOM 24451 H HD23 . LEU A 1 20 ? -2.911 -3.591 1.943 1.00 0.00 ? 20 LEU A HD23 18 ATOM 24452 N N . GLN A 1 21 ? -1.931 1.913 2.992 1.00 0.00 ? 21 GLN A N 18 ATOM 24453 C CA . GLN A 1 21 ? -1.166 3.153 3.040 1.00 0.00 ? 21 GLN A CA 18 ATOM 24454 C C . GLN A 1 21 ? -0.027 3.035 4.047 1.00 0.00 ? 21 GLN A C 18 ATOM 24455 O O . GLN A 1 21 ? 1.118 3.381 3.750 1.00 0.00 ? 21 GLN A O 18 ATOM 24456 C CB . GLN A 1 21 ? -2.075 4.325 3.413 1.00 0.00 ? 21 GLN A CB 18 ATOM 24457 C CG . GLN A 1 21 ? -2.534 5.143 2.217 1.00 0.00 ? 21 GLN A CG 18 ATOM 24458 C CD . GLN A 1 21 ? -3.233 6.426 2.622 1.00 0.00 ? 21 GLN A CD 18 ATOM 24459 O OE1 . GLN A 1 21 ? -4.385 6.662 2.257 1.00 0.00 ? 21 GLN A OE1 18 ATOM 24460 N NE2 . GLN A 1 21 ? -2.536 7.265 3.381 1.00 0.00 ? 21 GLN A NE2 18 ATOM 24461 H H . GLN A 1 21 ? -2.873 1.920 3.270 1.00 0.00 ? 21 GLN A H 18 ATOM 24462 H HA . GLN A 1 21 ? -0.750 3.326 2.060 1.00 0.00 ? 21 GLN A HA 18 ATOM 24463 H HB2 . GLN A 1 21 ? -2.950 3.942 3.917 1.00 0.00 ? 21 GLN A HB2 18 ATOM 24464 H HB3 . GLN A 1 21 ? -1.541 4.980 4.086 1.00 0.00 ? 21 GLN A HB3 18 ATOM 24465 H HG2 . GLN A 1 21 ? -1.673 5.395 1.617 1.00 0.00 ? 21 GLN A HG2 18 ATOM 24466 H HG3 . GLN A 1 21 ? -3.219 4.546 1.632 1.00 0.00 ? 21 GLN A HG3 18 ATOM 24467 H HE21 . GLN A 1 21 ? -1.623 7.012 3.633 1.00 0.00 ? 21 GLN A HE21 18 ATOM 24468 H HE22 . GLN A 1 21 ? -2.963 8.102 3.657 1.00 0.00 ? 21 GLN A HE22 18 ATOM 24469 N N . LYS A 1 22 ? -0.346 2.536 5.238 1.00 0.00 ? 22 LYS A N 18 ATOM 24470 C CA . LYS A 1 22 ? 0.653 2.366 6.284 1.00 0.00 ? 22 LYS A CA 18 ATOM 24471 C C . LYS A 1 22 ? 1.698 1.340 5.863 1.00 0.00 ? 22 LYS A C 18 ATOM 24472 O O . LYS A 1 22 ? 2.864 1.426 6.253 1.00 0.00 ? 22 LYS A O 18 ATOM 24473 C CB . LYS A 1 22 ? -0.012 1.928 7.590 1.00 0.00 ? 22 LYS A CB 18 ATOM 24474 C CG . LYS A 1 22 ? 0.724 2.395 8.835 1.00 0.00 ? 22 LYS A CG 18 ATOM 24475 C CD . LYS A 1 22 ? 1.516 1.264 9.471 1.00 0.00 ? 22 LYS A CD 18 ATOM 24476 C CE . LYS A 1 22 ? 0.608 0.305 10.224 1.00 0.00 ? 22 LYS A CE 18 ATOM 24477 N NZ . LYS A 1 22 ? 0.964 -1.118 9.963 1.00 0.00 ? 22 LYS A NZ 18 ATOM 24478 H H . LYS A 1 22 ? -1.275 2.271 5.414 1.00 0.00 ? 22 LYS A H 18 ATOM 24479 H HA . LYS A 1 22 ? 1.140 3.317 6.437 1.00 0.00 ? 22 LYS A HA 18 ATOM 24480 H HB2 . LYS A 1 22 ? -1.015 2.328 7.621 1.00 0.00 ? 22 LYS A HB2 18 ATOM 24481 H HB3 . LYS A 1 22 ? -0.063 0.850 7.612 1.00 0.00 ? 22 LYS A HB3 18 ATOM 24482 H HG2 . LYS A 1 22 ? 1.405 3.188 8.563 1.00 0.00 ? 22 LYS A HG2 18 ATOM 24483 H HG3 . LYS A 1 22 ? 0.004 2.765 9.550 1.00 0.00 ? 22 LYS A HG3 18 ATOM 24484 H HD2 . LYS A 1 22 ? 2.033 0.719 8.695 1.00 0.00 ? 22 LYS A HD2 18 ATOM 24485 H HD3 . LYS A 1 22 ? 2.234 1.683 10.159 1.00 0.00 ? 22 LYS A HD3 18 ATOM 24486 H HE2 . LYS A 1 22 ? 0.698 0.501 11.282 1.00 0.00 ? 22 LYS A HE2 18 ATOM 24487 H HE3 . LYS A 1 22 ? -0.412 0.475 9.913 1.00 0.00 ? 22 LYS A HE3 18 ATOM 24488 H HZ1 . LYS A 1 22 ? 1.996 -1.243 10.016 1.00 0.00 ? 22 LYS A HZ1 18 ATOM 24489 H HZ2 . LYS A 1 22 ? 0.515 -1.734 10.671 1.00 0.00 ? 22 LYS A HZ2 18 ATOM 24490 H HZ3 . LYS A 1 22 ? 0.639 -1.400 9.017 1.00 0.00 ? 22 LYS A HZ3 18 ATOM 24491 N N . GLU A 1 23 ? 1.272 0.370 5.060 1.00 0.00 ? 23 GLU A N 18 ATOM 24492 C CA . GLU A 1 23 ? 2.167 -0.674 4.579 1.00 0.00 ? 23 GLU A CA 18 ATOM 24493 C C . GLU A 1 23 ? 3.200 -0.103 3.613 1.00 0.00 ? 23 GLU A C 18 ATOM 24494 O O . GLU A 1 23 ? 4.361 -0.514 3.615 1.00 0.00 ? 23 GLU A O 18 ATOM 24495 C CB . GLU A 1 23 ? 1.368 -1.784 3.892 1.00 0.00 ? 23 GLU A CB 18 ATOM 24496 C CG . GLU A 1 23 ? 1.613 -3.163 4.482 1.00 0.00 ? 23 GLU A CG 18 ATOM 24497 C CD . GLU A 1 23 ? 0.353 -4.006 4.534 1.00 0.00 ? 23 GLU A CD 18 ATOM 24498 O OE1 . GLU A 1 23 ? -0.687 -3.492 4.996 1.00 0.00 ? 23 GLU A OE1 18 ATOM 24499 O OE2 . GLU A 1 23 ? 0.408 -5.180 4.111 1.00 0.00 ? 23 GLU A OE2 18 ATOM 24500 H H . GLU A 1 23 ? 0.332 0.358 4.783 1.00 0.00 ? 23 GLU A H 18 ATOM 24501 H HA . GLU A 1 23 ? 2.681 -1.089 5.433 1.00 0.00 ? 23 GLU A HA 18 ATOM 24502 H HB2 . GLU A 1 23 ? 0.315 -1.560 3.979 1.00 0.00 ? 23 GLU A HB2 18 ATOM 24503 H HB3 . GLU A 1 23 ? 1.636 -1.810 2.847 1.00 0.00 ? 23 GLU A HB3 18 ATOM 24504 H HG2 . GLU A 1 23 ? 2.345 -3.675 3.877 1.00 0.00 ? 23 GLU A HG2 18 ATOM 24505 H HG3 . GLU A 1 23 ? 1.993 -3.049 5.487 1.00 0.00 ? 23 GLU A HG3 18 ATOM 24506 N N . ILE A 1 24 ? 2.774 0.852 2.791 1.00 0.00 ? 24 ILE A N 18 ATOM 24507 C CA . ILE A 1 24 ? 3.676 1.474 1.828 1.00 0.00 ? 24 ILE A CA 18 ATOM 24508 C C . ILE A 1 24 ? 4.767 2.254 2.564 1.00 0.00 ? 24 ILE A C 18 ATOM 24509 O O . ILE A 1 24 ? 5.940 2.211 2.191 1.00 0.00 ? 24 ILE A O 18 ATOM 24510 C CB . ILE A 1 24 ? 2.922 2.391 0.805 1.00 0.00 ? 24 ILE A CB 18 ATOM 24511 C CG1 . ILE A 1 24 ? 2.899 3.864 1.241 1.00 0.00 ? 24 ILE A CG1 18 ATOM 24512 C CG2 . ILE A 1 24 ? 1.500 1.898 0.578 1.00 0.00 ? 24 ILE A CG2 18 ATOM 24513 C CD1 . ILE A 1 24 ? 4.181 4.598 0.915 1.00 0.00 ? 24 ILE A CD1 18 ATOM 24514 H H . ILE A 1 24 ? 1.841 1.145 2.839 1.00 0.00 ? 24 ILE A H 18 ATOM 24515 H HA . ILE A 1 24 ? 4.150 0.676 1.272 1.00 0.00 ? 24 ILE A HA 18 ATOM 24516 H HB . ILE A 1 24 ? 3.442 2.320 -0.139 1.00 0.00 ? 24 ILE A HB 18 ATOM 24517 H HG12 . ILE A 1 24 ? 2.088 4.370 0.737 1.00 0.00 ? 24 ILE A HG12 18 ATOM 24518 H HG13 . ILE A 1 24 ? 2.745 3.917 2.309 1.00 0.00 ? 24 ILE A HG13 18 ATOM 24519 H HG21 . ILE A 1 24 ? 1.445 0.842 0.797 1.00 0.00 ? 24 ILE A HG21 18 ATOM 24520 H HG22 . ILE A 1 24 ? 0.825 2.437 1.227 1.00 0.00 ? 24 ILE A HG22 18 ATOM 24521 H HG23 . ILE A 1 24 ? 1.221 2.068 -0.452 1.00 0.00 ? 24 ILE A HG23 18 ATOM 24522 H HD11 . ILE A 1 24 ? 4.850 3.934 0.383 1.00 0.00 ? 24 ILE A HD11 18 ATOM 24523 H HD12 . ILE A 1 24 ? 3.958 5.456 0.297 1.00 0.00 ? 24 ILE A HD12 18 ATOM 24524 H HD13 . ILE A 1 24 ? 4.652 4.924 1.830 1.00 0.00 ? 24 ILE A HD13 18 ATOM 24525 N N . GLU A 1 25 ? 4.362 2.962 3.617 1.00 0.00 ? 25 GLU A N 18 ATOM 24526 C CA . GLU A 1 25 ? 5.293 3.747 4.416 1.00 0.00 ? 25 GLU A CA 18 ATOM 24527 C C . GLU A 1 25 ? 6.391 2.859 4.987 1.00 0.00 ? 25 GLU A C 18 ATOM 24528 O O . GLU A 1 25 ? 7.570 3.213 4.958 1.00 0.00 ? 25 GLU A O 18 ATOM 24529 C CB . GLU A 1 25 ? 4.552 4.458 5.550 1.00 0.00 ? 25 GLU A CB 18 ATOM 24530 C CG . GLU A 1 25 ? 5.335 5.611 6.159 1.00 0.00 ? 25 GLU A CG 18 ATOM 24531 C CD . GLU A 1 25 ? 4.855 6.964 5.671 1.00 0.00 ? 25 GLU A CD 18 ATOM 24532 O OE1 . GLU A 1 25 ? 4.657 7.118 4.448 1.00 0.00 ? 25 GLU A OE1 18 ATOM 24533 O OE2 . GLU A 1 25 ? 4.678 7.870 6.512 1.00 0.00 ? 25 GLU A OE2 18 ATOM 24534 H H . GLU A 1 25 ? 3.412 2.951 3.862 1.00 0.00 ? 25 GLU A H 18 ATOM 24535 H HA . GLU A 1 25 ? 5.744 4.487 3.770 1.00 0.00 ? 25 GLU A HA 18 ATOM 24536 H HB2 . GLU A 1 25 ? 3.621 4.847 5.167 1.00 0.00 ? 25 GLU A HB2 18 ATOM 24537 H HB3 . GLU A 1 25 ? 4.340 3.743 6.330 1.00 0.00 ? 25 GLU A HB3 18 ATOM 24538 H HG2 . GLU A 1 25 ? 5.227 5.574 7.232 1.00 0.00 ? 25 GLU A HG2 18 ATOM 24539 H HG3 . GLU A 1 25 ? 6.377 5.499 5.899 1.00 0.00 ? 25 GLU A HG3 18 ATOM 24540 N N . ARG A 1 26 ? 6.000 1.696 5.500 1.00 0.00 ? 26 ARG A N 18 ATOM 24541 C CA . ARG A 1 26 ? 6.957 0.756 6.067 1.00 0.00 ? 26 ARG A CA 18 ATOM 24542 C C . ARG A 1 26 ? 8.033 0.419 5.042 1.00 0.00 ? 26 ARG A C 18 ATOM 24543 O O . ARG A 1 26 ? 9.230 0.501 5.327 1.00 0.00 ? 26 ARG A O 18 ATOM 24544 C CB . ARG A 1 26 ? 6.248 -0.522 6.522 1.00 0.00 ? 26 ARG A CB 18 ATOM 24545 C CG . ARG A 1 26 ? 5.872 -0.517 7.996 1.00 0.00 ? 26 ARG A CG 18 ATOM 24546 C CD . ARG A 1 26 ? 6.726 -1.490 8.791 1.00 0.00 ? 26 ARG A CD 18 ATOM 24547 N NE . ARG A 1 26 ? 8.103 -1.025 8.930 1.00 0.00 ? 26 ARG A NE 18 ATOM 24548 C CZ . ARG A 1 26 ? 9.109 -1.807 9.308 1.00 0.00 ? 26 ARG A CZ 18 ATOM 24549 N NH1 . ARG A 1 26 ? 8.891 -3.086 9.583 1.00 0.00 ? 26 ARG A NH1 18 ATOM 24550 N NH2 . ARG A 1 26 ? 10.335 -1.310 9.411 1.00 0.00 ? 26 ARG A NH2 18 ATOM 24551 H H . ARG A 1 26 ? 5.047 1.463 5.490 1.00 0.00 ? 26 ARG A H 18 ATOM 24552 H HA . ARG A 1 26 ? 7.422 1.226 6.921 1.00 0.00 ? 26 ARG A HA 18 ATOM 24553 H HB2 . ARG A 1 26 ? 5.344 -0.643 5.943 1.00 0.00 ? 26 ARG A HB2 18 ATOM 24554 H HB3 . ARG A 1 26 ? 6.897 -1.365 6.341 1.00 0.00 ? 26 ARG A HB3 18 ATOM 24555 H HG2 . ARG A 1 26 ? 6.016 0.478 8.390 1.00 0.00 ? 26 ARG A HG2 18 ATOM 24556 H HG3 . ARG A 1 26 ? 4.834 -0.798 8.092 1.00 0.00 ? 26 ARG A HG3 18 ATOM 24557 H HD2 . ARG A 1 26 ? 6.295 -1.606 9.774 1.00 0.00 ? 26 ARG A HD2 18 ATOM 24558 H HD3 . ARG A 1 26 ? 6.728 -2.445 8.285 1.00 0.00 ? 26 ARG A HD3 18 ATOM 24559 H HE . ARG A 1 26 ? 8.286 -0.084 8.731 1.00 0.00 ? 26 ARG A HE 18 ATOM 24560 H HH11 . ARG A 1 26 ? 7.968 -3.463 9.507 1.00 0.00 ? 26 ARG A HH11 18 ATOM 24561 H HH12 . ARG A 1 26 ? 9.649 -3.672 9.868 1.00 0.00 ? 26 ARG A HH12 18 ATOM 24562 H HH21 . ARG A 1 26 ? 10.503 -0.347 9.204 1.00 0.00 ? 26 ARG A HH21 18 ATOM 24563 H HH22 . ARG A 1 26 ? 11.091 -1.900 9.696 1.00 0.00 ? 26 ARG A HH22 18 ATOM 24564 N N . HIS A 1 27 ? 7.597 0.053 3.841 1.00 0.00 ? 27 HIS A N 18 ATOM 24565 C CA . HIS A 1 27 ? 8.522 -0.281 2.769 1.00 0.00 ? 27 HIS A CA 18 ATOM 24566 C C . HIS A 1 27 ? 9.367 0.933 2.400 1.00 0.00 ? 27 HIS A C 18 ATOM 24567 O O . HIS A 1 27 ? 10.479 0.795 1.891 1.00 0.00 ? 27 HIS A O 18 ATOM 24568 C CB . HIS A 1 27 ? 7.758 -0.780 1.541 1.00 0.00 ? 27 HIS A CB 18 ATOM 24569 C CG . HIS A 1 27 ? 7.406 -2.234 1.606 1.00 0.00 ? 27 HIS A CG 18 ATOM 24570 N ND1 . HIS A 1 27 ? 8.319 -3.242 1.372 1.00 0.00 ? 27 HIS A ND1 18 ATOM 24571 C CD2 . HIS A 1 27 ? 6.232 -2.850 1.882 1.00 0.00 ? 27 HIS A CD2 18 ATOM 24572 C CE1 . HIS A 1 27 ? 7.721 -4.413 1.500 1.00 0.00 ? 27 HIS A CE1 18 ATOM 24573 N NE2 . HIS A 1 27 ? 6.456 -4.203 1.809 1.00 0.00 ? 27 HIS A NE2 18 ATOM 24574 H H . HIS A 1 27 ? 6.631 0.017 3.670 1.00 0.00 ? 27 HIS A H 18 ATOM 24575 H HA . HIS A 1 27 ? 9.173 -1.066 3.124 1.00 0.00 ? 27 HIS A HA 18 ATOM 24576 H HB2 . HIS A 1 27 ? 6.840 -0.222 1.445 1.00 0.00 ? 27 HIS A HB2 18 ATOM 24577 H HB3 . HIS A 1 27 ? 8.364 -0.624 0.661 1.00 0.00 ? 27 HIS A HB3 18 ATOM 24578 H HD1 . HIS A 1 27 ? 9.264 -3.117 1.145 1.00 0.00 ? 27 HIS A HD1 18 ATOM 24579 H HD2 . HIS A 1 27 ? 5.293 -2.367 2.116 1.00 0.00 ? 27 HIS A HD2 18 ATOM 24580 H HE1 . HIS A 1 27 ? 8.189 -5.379 1.373 1.00 0.00 ? 27 HIS A HE1 18 ATOM 24581 H HE2 . HIS A 1 27 ? 5.786 -4.902 1.962 1.00 0.00 ? 27 HIS A HE2 18 ATOM 24582 N N . LYS A 1 28 ? 8.831 2.122 2.663 1.00 0.00 ? 28 LYS A N 18 ATOM 24583 C CA . LYS A 1 28 ? 9.532 3.364 2.363 1.00 0.00 ? 28 LYS A CA 18 ATOM 24584 C C . LYS A 1 28 ? 10.660 3.607 3.357 1.00 0.00 ? 28 LYS A C 18 ATOM 24585 O O . LYS A 1 28 ? 11.655 4.256 3.034 1.00 0.00 ? 28 LYS A O 18 ATOM 24586 C CB . LYS A 1 28 ? 8.557 4.543 2.383 1.00 0.00 ? 28 LYS A CB 18 ATOM 24587 C CG . LYS A 1 28 ? 9.214 5.880 2.080 1.00 0.00 ? 28 LYS A CG 18 ATOM 24588 C CD . LYS A 1 28 ? 8.261 7.038 2.333 1.00 0.00 ? 28 LYS A CD 18 ATOM 24589 C CE . LYS A 1 28 ? 8.668 7.837 3.561 1.00 0.00 ? 28 LYS A CE 18 ATOM 24590 N NZ . LYS A 1 28 ? 7.880 9.093 3.694 1.00 0.00 ? 28 LYS A NZ 18 ATOM 24591 H H . LYS A 1 28 ? 7.941 2.165 3.071 1.00 0.00 ? 28 LYS A H 18 ATOM 24592 H HA . LYS A 1 28 ? 9.954 3.274 1.374 1.00 0.00 ? 28 LYS A HA 18 ATOM 24593 H HB2 . LYS A 1 28 ? 7.785 4.371 1.649 1.00 0.00 ? 28 LYS A HB2 18 ATOM 24594 H HB3 . LYS A 1 28 ? 8.105 4.604 3.361 1.00 0.00 ? 28 LYS A HB3 18 ATOM 24595 H HG2 . LYS A 1 28 ? 10.081 5.997 2.714 1.00 0.00 ? 28 LYS A HG2 18 ATOM 24596 H HG3 . LYS A 1 28 ? 9.518 5.896 1.045 1.00 0.00 ? 28 LYS A HG3 18 ATOM 24597 H HD2 . LYS A 1 28 ? 8.267 7.691 1.473 1.00 0.00 ? 28 LYS A HD2 18 ATOM 24598 H HD3 . LYS A 1 28 ? 7.265 6.646 2.483 1.00 0.00 ? 28 LYS A HD3 18 ATOM 24599 H HE2 . LYS A 1 28 ? 8.510 7.229 4.439 1.00 0.00 ? 28 LYS A HE2 18 ATOM 24600 H HE3 . LYS A 1 28 ? 9.716 8.086 3.480 1.00 0.00 ? 28 LYS A HE3 18 ATOM 24601 H HZ1 . LYS A 1 28 ? 6.863 8.874 3.738 1.00 0.00 ? 28 LYS A HZ1 18 ATOM 24602 H HZ2 . LYS A 1 28 ? 8.153 9.598 4.560 1.00 0.00 ? 28 LYS A HZ2 18 ATOM 24603 H HZ3 . LYS A 1 28 ? 8.052 9.712 2.876 1.00 0.00 ? 28 LYS A HZ3 18 ATOM 24604 N N . GLN A 1 29 ? 10.501 3.080 4.565 1.00 0.00 ? 29 GLN A N 18 ATOM 24605 C CA . GLN A 1 29 ? 11.511 3.240 5.603 1.00 0.00 ? 29 GLN A CA 18 ATOM 24606 C C . GLN A 1 29 ? 12.688 2.305 5.355 1.00 0.00 ? 29 GLN A C 18 ATOM 24607 O O . GLN A 1 29 ? 13.839 2.655 5.615 1.00 0.00 ? 29 GLN A O 18 ATOM 24608 C CB . GLN A 1 29 ? 10.907 2.970 6.983 1.00 0.00 ? 29 GLN A CB 18 ATOM 24609 C CG . GLN A 1 29 ? 11.763 3.480 8.131 1.00 0.00 ? 29 GLN A CG 18 ATOM 24610 C CD . GLN A 1 29 ? 11.185 4.723 8.780 1.00 0.00 ? 29 GLN A CD 18 ATOM 24611 O OE1 . GLN A 1 29 ? 10.562 4.652 9.838 1.00 0.00 ? 29 GLN A OE1 18 ATOM 24612 N NE2 . GLN A 1 29 ? 11.391 5.871 8.145 1.00 0.00 ? 29 GLN A NE2 18 ATOM 24613 H H . GLN A 1 29 ? 9.687 2.572 4.764 1.00 0.00 ? 29 GLN A H 18 ATOM 24614 H HA . GLN A 1 29 ? 11.865 4.260 5.566 1.00 0.00 ? 29 GLN A HA 18 ATOM 24615 H HB2 . GLN A 1 29 ? 9.942 3.449 7.041 1.00 0.00 ? 29 GLN A HB2 18 ATOM 24616 H HB3 . GLN A 1 29 ? 10.779 1.904 7.104 1.00 0.00 ? 29 GLN A HB3 18 ATOM 24617 H HG2 . GLN A 1 29 ? 11.837 2.705 8.879 1.00 0.00 ? 29 GLN A HG2 18 ATOM 24618 H HG3 . GLN A 1 29 ? 12.748 3.712 7.754 1.00 0.00 ? 29 GLN A HG3 18 ATOM 24619 H HE21 . GLN A 1 29 ? 11.898 5.853 7.306 1.00 0.00 ? 29 GLN A HE21 18 ATOM 24620 H HE22 . GLN A 1 29 ? 11.030 6.691 8.542 1.00 0.00 ? 29 GLN A HE22 18 ATOM 24621 N N . SER A 1 30 ? 12.391 1.113 4.848 1.00 0.00 ? 30 SER A N 18 ATOM 24622 C CA . SER A 1 30 ? 13.427 0.128 4.562 1.00 0.00 ? 30 SER A CA 18 ATOM 24623 C C . SER A 1 30 ? 14.237 0.531 3.333 1.00 0.00 ? 30 SER A C 18 ATOM 24624 O O . SER A 1 30 ? 15.458 0.376 3.304 1.00 0.00 ? 30 SER A O 18 ATOM 24625 C CB . SER A 1 30 ? 12.803 -1.252 4.346 1.00 0.00 ? 30 SER A CB 18 ATOM 24626 O OG . SER A 1 30 ? 13.747 -2.160 3.803 1.00 0.00 ? 30 SER A OG 18 ATOM 24627 H H . SER A 1 30 ? 11.452 0.891 4.662 1.00 0.00 ? 30 SER A H 18 ATOM 24628 H HA . SER A 1 30 ? 14.087 0.085 5.415 1.00 0.00 ? 30 SER A HA 18 ATOM 24629 H HB2 . SER A 1 30 ? 12.453 -1.640 5.292 1.00 0.00 ? 30 SER A HB2 18 ATOM 24630 H HB3 . SER A 1 30 ? 11.970 -1.166 3.662 1.00 0.00 ? 30 SER A HB3 18 ATOM 24631 H HG . SER A 1 30 ? 13.336 -3.021 3.693 1.00 0.00 ? 30 SER A HG 18 ATOM 24632 N N . ILE A 1 31 ? 13.549 1.043 2.318 1.00 0.00 ? 31 ILE A N 18 ATOM 24633 C CA . ILE A 1 31 ? 14.201 1.466 1.083 1.00 0.00 ? 31 ILE A CA 18 ATOM 24634 C C . ILE A 1 31 ? 14.945 2.784 1.276 1.00 0.00 ? 31 ILE A C 18 ATOM 24635 O O . ILE A 1 31 ? 15.969 3.027 0.637 1.00 0.00 ? 31 ILE A O 18 ATOM 24636 C CB . ILE A 1 31 ? 13.170 1.607 -0.059 1.00 0.00 ? 31 ILE A CB 18 ATOM 24637 C CG1 . ILE A 1 31 ? 13.811 2.154 -1.336 1.00 0.00 ? 31 ILE A CG1 18 ATOM 24638 C CG2 . ILE A 1 31 ? 12.023 2.507 0.370 1.00 0.00 ? 31 ILE A CG2 18 ATOM 24639 C CD1 . ILE A 1 31 ? 14.584 1.118 -2.115 1.00 0.00 ? 31 ILE A CD1 18 ATOM 24640 H H . ILE A 1 31 ? 12.575 1.139 2.399 1.00 0.00 ? 31 ILE A H 18 ATOM 24641 H HA . ILE A 1 31 ? 14.914 0.703 0.808 1.00 0.00 ? 31 ILE A HA 18 ATOM 24642 H HB . ILE A 1 31 ? 12.770 0.624 -0.261 1.00 0.00 ? 31 ILE A HB 18 ATOM 24643 H HG12 . ILE A 1 31 ? 13.033 2.534 -1.981 1.00 0.00 ? 31 ILE A HG12 18 ATOM 24644 H HG13 . ILE A 1 31 ? 14.487 2.957 -1.085 1.00 0.00 ? 31 ILE A HG13 18 ATOM 24645 H HG21 . ILE A 1 31 ? 12.111 2.732 1.422 1.00 0.00 ? 31 ILE A HG21 18 ATOM 24646 H HG22 . ILE A 1 31 ? 12.055 3.425 -0.198 1.00 0.00 ? 31 ILE A HG22 18 ATOM 24647 H HG23 . ILE A 1 31 ? 11.084 2.005 0.187 1.00 0.00 ? 31 ILE A HG23 18 ATOM 24648 H HD11 . ILE A 1 31 ? 15.042 0.420 -1.430 1.00 0.00 ? 31 ILE A HD11 18 ATOM 24649 H HD12 . ILE A 1 31 ? 13.909 0.588 -2.771 1.00 0.00 ? 31 ILE A HD12 18 ATOM 24650 H HD13 . ILE A 1 31 ? 15.349 1.605 -2.700 1.00 0.00 ? 31 ILE A HD13 18 ATOM 24651 N N . LYS A 1 32 ? 14.430 3.628 2.160 1.00 0.00 ? 32 LYS A N 18 ATOM 24652 C CA . LYS A 1 32 ? 15.055 4.916 2.431 1.00 0.00 ? 32 LYS A CA 18 ATOM 24653 C C . LYS A 1 32 ? 16.202 4.767 3.426 1.00 0.00 ? 32 LYS A C 18 ATOM 24654 O O . LYS A 1 32 ? 17.109 5.599 3.470 1.00 0.00 ? 32 LYS A O 18 ATOM 24655 C CB . LYS A 1 32 ? 14.021 5.905 2.972 1.00 0.00 ? 32 LYS A CB 18 ATOM 24656 C CG . LYS A 1 32 ? 14.541 7.329 3.082 1.00 0.00 ? 32 LYS A CG 18 ATOM 24657 C CD . LYS A 1 32 ? 13.757 8.278 2.190 1.00 0.00 ? 32 LYS A CD 18 ATOM 24658 C CE . LYS A 1 32 ? 14.441 8.471 0.845 1.00 0.00 ? 32 LYS A CE 18 ATOM 24659 N NZ . LYS A 1 32 ? 13.726 9.465 -0.003 1.00 0.00 ? 32 LYS A NZ 18 ATOM 24660 H H . LYS A 1 32 ? 13.615 3.379 2.644 1.00 0.00 ? 32 LYS A H 18 ATOM 24661 H HA . LYS A 1 32 ? 15.449 5.295 1.500 1.00 0.00 ? 32 LYS A HA 18 ATOM 24662 H HB2 . LYS A 1 32 ? 13.164 5.907 2.315 1.00 0.00 ? 32 LYS A HB2 18 ATOM 24663 H HB3 . LYS A 1 32 ? 13.709 5.582 3.954 1.00 0.00 ? 32 LYS A HB3 18 ATOM 24664 H HG2 . LYS A 1 32 ? 14.450 7.657 4.107 1.00 0.00 ? 32 LYS A HG2 18 ATOM 24665 H HG3 . LYS A 1 32 ? 15.579 7.346 2.787 1.00 0.00 ? 32 LYS A HG3 18 ATOM 24666 H HD2 . LYS A 1 32 ? 12.771 7.872 2.027 1.00 0.00 ? 32 LYS A HD2 18 ATOM 24667 H HD3 . LYS A 1 32 ? 13.677 9.237 2.684 1.00 0.00 ? 32 LYS A HD3 18 ATOM 24668 H HE2 . LYS A 1 32 ? 15.449 8.815 1.015 1.00 0.00 ? 32 LYS A HE2 18 ATOM 24669 H HE3 . LYS A 1 32 ? 14.466 7.522 0.331 1.00 0.00 ? 32 LYS A HE3 18 ATOM 24670 H HZ1 . LYS A 1 32 ? 12.727 9.526 0.281 1.00 0.00 ? 32 LYS A HZ1 18 ATOM 24671 H HZ2 . LYS A 1 32 ? 14.162 10.403 0.102 1.00 0.00 ? 32 LYS A HZ2 18 ATOM 24672 H HZ3 . LYS A 1 32 ? 13.775 9.182 -1.002 1.00 0.00 ? 32 LYS A HZ3 18 ATOM 24673 N N . LYS A 1 33 ? 16.155 3.707 4.227 1.00 0.00 ? 33 LYS A N 18 ATOM 24674 C CA . LYS A 1 33 ? 17.189 3.459 5.222 1.00 0.00 ? 33 LYS A CA 18 ATOM 24675 C C . LYS A 1 33 ? 18.383 2.732 4.614 1.00 0.00 ? 33 LYS A C 18 ATOM 24676 O O . LYS A 1 33 ? 19.521 2.931 5.040 1.00 0.00 ? 33 LYS A O 18 ATOM 24677 C CB . LYS A 1 33 ? 16.625 2.647 6.388 1.00 0.00 ? 33 LYS A CB 18 ATOM 24678 C CG . LYS A 1 33 ? 17.658 2.312 7.451 1.00 0.00 ? 33 LYS A CG 18 ATOM 24679 C CD . LYS A 1 33 ? 17.020 1.648 8.661 1.00 0.00 ? 33 LYS A CD 18 ATOM 24680 C CE . LYS A 1 33 ? 17.949 1.678 9.864 1.00 0.00 ? 33 LYS A CE 18 ATOM 24681 N NZ . LYS A 1 33 ? 17.673 0.558 10.806 1.00 0.00 ? 33 LYS A NZ 18 ATOM 24682 H H . LYS A 1 33 ? 15.406 3.080 4.149 1.00 0.00 ? 33 LYS A H 18 ATOM 24683 H HA . LYS A 1 33 ? 17.524 4.417 5.591 1.00 0.00 ? 33 LYS A HA 18 ATOM 24684 H HB2 . LYS A 1 33 ? 15.831 3.212 6.854 1.00 0.00 ? 33 LYS A HB2 18 ATOM 24685 H HB3 . LYS A 1 33 ? 16.219 1.722 6.006 1.00 0.00 ? 33 LYS A HB3 18 ATOM 24686 H HG2 . LYS A 1 33 ? 18.389 1.639 7.028 1.00 0.00 ? 33 LYS A HG2 18 ATOM 24687 H HG3 . LYS A 1 33 ? 18.145 3.224 7.766 1.00 0.00 ? 33 LYS A HG3 18 ATOM 24688 H HD2 . LYS A 1 33 ? 16.110 2.172 8.908 1.00 0.00 ? 33 LYS A HD2 18 ATOM 24689 H HD3 . LYS A 1 33 ? 16.792 0.621 8.417 1.00 0.00 ? 33 LYS A HD3 18 ATOM 24690 H HE2 . LYS A 1 33 ? 18.968 1.601 9.518 1.00 0.00 ? 33 LYS A HE2 18 ATOM 24691 H HE3 . LYS A 1 33 ? 17.815 2.615 10.383 1.00 0.00 ? 33 LYS A HE3 18 ATOM 24692 H HZ1 . LYS A 1 33 ? 17.777 -0.355 10.318 1.00 0.00 ? 33 LYS A HZ1 18 ATOM 24693 H HZ2 . LYS A 1 33 ? 18.340 0.588 11.603 1.00 0.00 ? 33 LYS A HZ2 18 ATOM 24694 H HZ3 . LYS A 1 33 ? 16.704 0.633 11.177 1.00 0.00 ? 33 LYS A HZ3 18 ATOM 24695 N N . LEU A 1 34 ? 18.128 1.893 3.614 1.00 0.00 ? 34 LEU A N 18 ATOM 24696 C CA . LEU A 1 34 ? 19.199 1.157 2.963 1.00 0.00 ? 34 LEU A CA 18 ATOM 24697 C C . LEU A 1 34 ? 19.806 1.988 1.840 1.00 0.00 ? 34 LEU A C 18 ATOM 24698 O O . LEU A 1 34 ? 20.977 1.831 1.499 1.00 0.00 ? 34 LEU A O 18 ATOM 24699 C CB . LEU A 1 34 ? 18.682 -0.173 2.418 1.00 0.00 ? 34 LEU A CB 18 ATOM 24700 C CG . LEU A 1 34 ? 18.154 -1.146 3.473 1.00 0.00 ? 34 LEU A CG 18 ATOM 24701 C CD1 . LEU A 1 34 ? 17.066 -2.030 2.887 1.00 0.00 ? 34 LEU A CD1 18 ATOM 24702 C CD2 . LEU A 1 34 ? 19.289 -1.994 4.028 1.00 0.00 ? 34 LEU A CD2 18 ATOM 24703 H H . LEU A 1 34 ? 17.205 1.772 3.302 1.00 0.00 ? 34 LEU A H 18 ATOM 24704 H HA . LEU A 1 34 ? 19.963 0.961 3.702 1.00 0.00 ? 34 LEU A HA 18 ATOM 24705 H HB2 . LEU A 1 34 ? 17.886 0.035 1.718 1.00 0.00 ? 34 LEU A HB2 18 ATOM 24706 H HB3 . LEU A 1 34 ? 19.488 -0.658 1.888 1.00 0.00 ? 34 LEU A HB3 18 ATOM 24707 H HG . LEU A 1 34 ? 17.725 -0.584 4.289 1.00 0.00 ? 34 LEU A HG 18 ATOM 24708 H HD11 . LEU A 1 34 ? 16.416 -1.434 2.263 1.00 0.00 ? 34 LEU A HD11 18 ATOM 24709 H HD12 . LEU A 1 34 ? 17.518 -2.812 2.294 1.00 0.00 ? 34 LEU A HD12 18 ATOM 24710 H HD13 . LEU A 1 34 ? 16.490 -2.473 3.687 1.00 0.00 ? 34 LEU A HD13 18 ATOM 24711 H HD21 . LEU A 1 34 ? 20.069 -1.349 4.407 1.00 0.00 ? 34 LEU A HD21 18 ATOM 24712 H HD22 . LEU A 1 34 ? 18.916 -2.616 4.827 1.00 0.00 ? 34 LEU A HD22 18 ATOM 24713 H HD23 . LEU A 1 34 ? 19.689 -2.618 3.242 1.00 0.00 ? 34 LEU A HD23 18 ATOM 24714 N N . LYS A 1 35 ? 18.999 2.883 1.278 1.00 0.00 ? 35 LYS A N 18 ATOM 24715 C CA . LYS A 1 35 ? 19.457 3.750 0.203 1.00 0.00 ? 35 LYS A CA 18 ATOM 24716 C C . LYS A 1 35 ? 20.173 4.968 0.772 1.00 0.00 ? 35 LYS A C 18 ATOM 24717 O O . LYS A 1 35 ? 21.071 5.526 0.141 1.00 0.00 ? 35 LYS A O 18 ATOM 24718 C CB . LYS A 1 35 ? 18.277 4.193 -0.665 1.00 0.00 ? 35 LYS A CB 18 ATOM 24719 C CG . LYS A 1 35 ? 18.695 4.798 -1.995 1.00 0.00 ? 35 LYS A CG 18 ATOM 24720 C CD . LYS A 1 35 ? 18.542 6.310 -1.990 1.00 0.00 ? 35 LYS A CD 18 ATOM 24721 C CE . LYS A 1 35 ? 19.871 7.004 -1.742 1.00 0.00 ? 35 LYS A CE 18 ATOM 24722 N NZ . LYS A 1 35 ? 19.995 8.265 -2.523 1.00 0.00 ? 35 LYS A NZ 18 ATOM 24723 H H . LYS A 1 35 ? 18.076 2.967 1.599 1.00 0.00 ? 35 LYS A H 18 ATOM 24724 H HA . LYS A 1 35 ? 20.153 3.189 -0.404 1.00 0.00 ? 35 LYS A HA 18 ATOM 24725 H HB2 . LYS A 1 35 ? 17.652 3.336 -0.864 1.00 0.00 ? 35 LYS A HB2 18 ATOM 24726 H HB3 . LYS A 1 35 ? 17.703 4.929 -0.123 1.00 0.00 ? 35 LYS A HB3 18 ATOM 24727 H HG2 . LYS A 1 35 ? 19.729 4.551 -2.184 1.00 0.00 ? 35 LYS A HG2 18 ATOM 24728 H HG3 . LYS A 1 35 ? 18.075 4.384 -2.778 1.00 0.00 ? 35 LYS A HG3 18 ATOM 24729 H HD2 . LYS A 1 35 ? 18.156 6.627 -2.948 1.00 0.00 ? 35 LYS A HD2 18 ATOM 24730 H HD3 . LYS A 1 35 ? 17.848 6.590 -1.211 1.00 0.00 ? 35 LYS A HD3 18 ATOM 24731 H HE2 . LYS A 1 35 ? 19.952 7.234 -0.690 1.00 0.00 ? 35 LYS A HE2 18 ATOM 24732 H HE3 . LYS A 1 35 ? 20.670 6.334 -2.025 1.00 0.00 ? 35 LYS A HE3 18 ATOM 24733 H HZ1 . LYS A 1 35 ? 19.051 8.623 -2.774 1.00 0.00 ? 35 LYS A HZ1 18 ATOM 24734 H HZ2 . LYS A 1 35 ? 20.490 8.986 -1.962 1.00 0.00 ? 35 LYS A HZ2 18 ATOM 24735 H HZ3 . LYS A 1 35 ? 20.531 8.093 -3.398 1.00 0.00 ? 35 LYS A HZ3 18 ATOM 24736 N N . GLN A 1 36 ? 19.776 5.373 1.976 1.00 0.00 ? 36 GLN A N 18 ATOM 24737 C CA . GLN A 1 36 ? 20.387 6.522 2.633 1.00 0.00 ? 36 GLN A CA 18 ATOM 24738 C C . GLN A 1 36 ? 21.632 6.097 3.403 1.00 0.00 ? 36 GLN A C 18 ATOM 24739 O O . GLN A 1 36 ? 22.578 6.871 3.551 1.00 0.00 ? 36 GLN A O 18 ATOM 24740 C CB . GLN A 1 36 ? 19.387 7.188 3.580 1.00 0.00 ? 36 GLN A CB 18 ATOM 24741 C CG . GLN A 1 36 ? 19.988 8.314 4.405 1.00 0.00 ? 36 GLN A CG 18 ATOM 24742 C CD . GLN A 1 36 ? 20.615 9.395 3.547 1.00 0.00 ? 36 GLN A CD 18 ATOM 24743 O OE1 . GLN A 1 36 ? 21.555 9.140 2.794 1.00 0.00 ? 36 GLN A OE1 18 ATOM 24744 N NE2 . GLN A 1 36 ? 20.095 10.613 3.656 1.00 0.00 ? 36 GLN A NE2 18 ATOM 24745 H H . GLN A 1 36 ? 19.057 4.886 2.435 1.00 0.00 ? 36 GLN A H 18 ATOM 24746 H HA . GLN A 1 36 ? 20.675 7.227 1.869 1.00 0.00 ? 36 GLN A HA 18 ATOM 24747 H HB2 . GLN A 1 36 ? 18.573 7.592 2.998 1.00 0.00 ? 36 GLN A HB2 18 ATOM 24748 H HB3 . GLN A 1 36 ? 18.998 6.442 4.257 1.00 0.00 ? 36 GLN A HB3 18 ATOM 24749 H HG2 . GLN A 1 36 ? 19.208 8.759 5.005 1.00 0.00 ? 36 GLN A HG2 18 ATOM 24750 H HG3 . GLN A 1 36 ? 20.748 7.902 5.052 1.00 0.00 ? 36 GLN A HG3 18 ATOM 24751 H HE21 . GLN A 1 36 ? 19.347 10.743 4.277 1.00 0.00 ? 36 GLN A HE21 18 ATOM 24752 H HE22 . GLN A 1 36 ? 20.481 11.331 3.113 1.00 0.00 ? 36 GLN A HE22 18 ATOM 24753 N N . SER A 1 37 ? 21.625 4.859 3.885 1.00 0.00 ? 37 SER A N 18 ATOM 24754 C CA . SER A 1 37 ? 22.756 4.327 4.635 1.00 0.00 ? 37 SER A CA 18 ATOM 24755 C C . SER A 1 37 ? 23.801 3.742 3.692 1.00 0.00 ? 37 SER A C 18 ATOM 24756 O O . SER A 1 37 ? 24.984 3.671 4.027 1.00 0.00 ? 37 SER A O 18 ATOM 24757 C CB . SER A 1 37 ? 22.284 3.255 5.621 1.00 0.00 ? 37 SER A CB 18 ATOM 24758 O OG . SER A 1 37 ? 21.285 3.764 6.490 1.00 0.00 ? 37 SER A OG 18 ATOM 24759 H H . SER A 1 37 ? 20.844 4.289 3.730 1.00 0.00 ? 37 SER A H 18 ATOM 24760 H HA . SER A 1 37 ? 23.201 5.141 5.187 1.00 0.00 ? 37 SER A HA 18 ATOM 24761 H HB2 . SER A 1 37 ? 21.873 2.421 5.073 1.00 0.00 ? 37 SER A HB2 18 ATOM 24762 H HB3 . SER A 1 37 ? 23.123 2.920 6.214 1.00 0.00 ? 37 SER A HB3 18 ATOM 24763 H HG . SER A 1 37 ? 21.445 4.697 6.651 1.00 0.00 ? 37 SER A HG 18 ATOM 24764 N N . GLU A 1 38 ? 23.359 3.329 2.507 1.00 0.00 ? 38 GLU A N 18 ATOM 24765 C CA . GLU A 1 38 ? 24.261 2.755 1.515 1.00 0.00 ? 38 GLU A CA 18 ATOM 24766 C C . GLU A 1 38 ? 24.868 3.849 0.641 1.00 0.00 ? 38 GLU A C 18 ATOM 24767 O O . GLU A 1 38 ? 25.946 3.674 0.072 1.00 0.00 ? 38 GLU A O 18 ATOM 24768 C CB . GLU A 1 38 ? 23.518 1.741 0.643 1.00 0.00 ? 38 GLU A CB 18 ATOM 24769 C CG . GLU A 1 38 ? 24.429 0.959 -0.290 1.00 0.00 ? 38 GLU A CG 18 ATOM 24770 C CD . GLU A 1 38 ? 24.186 1.287 -1.750 1.00 0.00 ? 38 GLU A CD 18 ATOM 24771 O OE1 . GLU A 1 38 ? 23.082 1.773 -2.074 1.00 0.00 ? 38 GLU A OE1 18 ATOM 24772 O OE2 . GLU A 1 38 ? 25.100 1.059 -2.570 1.00 0.00 ? 38 GLU A OE2 18 ATOM 24773 H H . GLU A 1 38 ? 22.406 3.414 2.294 1.00 0.00 ? 38 GLU A H 18 ATOM 24774 H HA . GLU A 1 38 ? 25.055 2.250 2.043 1.00 0.00 ? 38 GLU A HA 18 ATOM 24775 H HB2 . GLU A 1 38 ? 23.007 1.039 1.285 1.00 0.00 ? 38 GLU A HB2 18 ATOM 24776 H HB3 . GLU A 1 38 ? 22.788 2.265 0.043 1.00 0.00 ? 38 GLU A HB3 18 ATOM 24777 H HG2 . GLU A 1 38 ? 25.455 1.193 -0.051 1.00 0.00 ? 38 GLU A HG2 18 ATOM 24778 H HG3 . GLU A 1 38 ? 24.257 -0.097 -0.140 1.00 0.00 ? 38 GLU A HG3 18 ATOM 24779 N N . ASP A 1 39 ? 24.171 4.979 0.542 1.00 0.00 ? 39 ASP A N 18 ATOM 24780 C CA . ASP A 1 39 ? 24.647 6.099 -0.260 1.00 0.00 ? 39 ASP A CA 18 ATOM 24781 C C . ASP A 1 39 ? 25.540 7.018 0.569 1.00 0.00 ? 39 ASP A C 18 ATOM 24782 O O . ASP A 1 39 ? 26.394 7.720 0.029 1.00 0.00 ? 39 ASP A O 18 ATOM 24783 C CB . ASP A 1 39 ? 23.462 6.889 -0.822 1.00 0.00 ? 39 ASP A CB 18 ATOM 24784 C CG . ASP A 1 39 ? 23.897 8.134 -1.572 1.00 0.00 ? 39 ASP A CG 18 ATOM 24785 O OD1 . ASP A 1 39 ? 24.249 9.133 -0.910 1.00 0.00 ? 39 ASP A OD1 18 ATOM 24786 O OD2 . ASP A 1 39 ? 23.885 8.110 -2.820 1.00 0.00 ? 39 ASP A OD2 18 ATOM 24787 H H . ASP A 1 39 ? 23.319 5.061 1.020 1.00 0.00 ? 39 ASP A H 18 ATOM 24788 H HA . ASP A 1 39 ? 25.224 5.700 -1.081 1.00 0.00 ? 39 ASP A HA 18 ATOM 24789 H HB2 . ASP A 1 39 ? 22.908 6.259 -1.501 1.00 0.00 ? 39 ASP A HB2 18 ATOM 24790 H HB3 . ASP A 1 39 ? 22.818 7.188 -0.008 1.00 0.00 ? 39 ASP A HB3 18 ATOM 24791 N N . ASP A 1 40 ? 25.336 7.007 1.882 1.00 0.00 ? 40 ASP A N 18 ATOM 24792 C CA . ASP A 1 40 ? 26.123 7.839 2.785 1.00 0.00 ? 40 ASP A CA 18 ATOM 24793 C C . ASP A 1 40 ? 26.424 7.099 4.084 1.00 0.00 ? 40 ASP A C 18 ATOM 24794 O O . ASP A 1 40 ? 26.159 7.606 5.174 1.00 0.00 ? 40 ASP A O 18 ATOM 24795 C CB . ASP A 1 40 ? 25.383 9.143 3.085 1.00 0.00 ? 40 ASP A CB 18 ATOM 24796 C CG . ASP A 1 40 ? 26.321 10.257 3.508 1.00 0.00 ? 40 ASP A CG 18 ATOM 24797 O OD1 . ASP A 1 40 ? 26.889 10.166 4.616 1.00 0.00 ? 40 ASP A OD1 18 ATOM 24798 O OD2 . ASP A 1 40 ? 26.487 11.220 2.730 1.00 0.00 ? 40 ASP A OD2 18 ATOM 24799 H H . ASP A 1 40 ? 24.640 6.425 2.254 1.00 0.00 ? 40 ASP A H 18 ATOM 24800 H HA . ASP A 1 40 ? 27.056 8.071 2.292 1.00 0.00 ? 40 ASP A HA 18 ATOM 24801 H HB2 . ASP A 1 40 ? 24.852 9.462 2.200 1.00 0.00 ? 40 ASP A HB2 18 ATOM 24802 H HB3 . ASP A 1 40 ? 24.674 8.972 3.882 1.00 0.00 ? 40 ASP A HB3 18 ATOM 24803 N N . ASP A 1 41 ? 26.978 5.899 3.959 1.00 0.00 ? 41 ASP A N 18 ATOM 24804 C CA . ASP A 1 41 ? 27.316 5.088 5.124 1.00 0.00 ? 41 ASP A CA 18 ATOM 24805 C C . ASP A 1 41 ? 28.498 5.686 5.879 1.00 0.00 ? 41 ASP A C 18 ATOM 24806 O O . ASP A 1 41 ? 29.544 5.932 5.243 1.00 0.00 ? 41 ASP A O 18 ATOM 24807 C CB . ASP A 1 41 ? 27.641 3.656 4.697 1.00 0.00 ? 41 ASP A CB 18 ATOM 24808 C CG . ASP A 1 41 ? 27.103 2.626 5.672 1.00 0.00 ? 41 ASP A CG 18 ATOM 24809 O OD1 . ASP A 1 41 ? 26.121 2.936 6.380 1.00 0.00 ? 41 ASP A OD1 18 ATOM 24810 O OD2 . ASP A 1 41 ? 27.663 1.512 5.728 1.00 0.00 ? 41 ASP A OD2 18 ATOM 24811 O OXT . ASP A 1 41 ? 28.368 5.906 7.102 1.00 0.00 ? 41 ASP A OXT 18 ATOM 24812 H H . ASP A 1 41 ? 27.166 5.549 3.063 1.00 0.00 ? 41 ASP A H 18 ATOM 24813 H HA . ASP A 1 41 ? 26.456 5.074 5.777 1.00 0.00 ? 41 ASP A HA 18 ATOM 24814 H HB2 . ASP A 1 41 ? 27.205 3.467 3.728 1.00 0.00 ? 41 ASP A HB2 18 ATOM 24815 H HB3 . ASP A 1 41 ? 28.713 3.540 4.635 1.00 0.00 ? 41 ASP A HB3 18 ATOM 24816 N N . ALA B 1 1 ? 32.355 -1.261 -6.600 1.00 0.00 ? 1 ALA B N 18 ATOM 24817 C CA . ALA B 1 1 ? 30.919 -1.643 -6.628 1.00 0.00 ? 1 ALA B CA 18 ATOM 24818 C C . ALA B 1 1 ? 30.719 -3.066 -6.120 1.00 0.00 ? 1 ALA B C 18 ATOM 24819 O O . ALA B 1 1 ? 30.085 -3.888 -6.781 1.00 0.00 ? 1 ALA B O 18 ATOM 24820 C CB . ALA B 1 1 ? 30.360 -1.502 -8.035 1.00 0.00 ? 1 ALA B CB 18 ATOM 24821 H H1 . ALA B 1 1 ? 32.824 -1.845 -5.879 1.00 0.00 ? 1 ALA B H1 18 ATOM 24822 H H2 . ALA B 1 1 ? 32.748 -1.441 -7.545 1.00 0.00 ? 1 ALA B H2 18 ATOM 24823 H H3 . ALA B 1 1 ? 32.409 -0.252 -6.360 1.00 0.00 ? 1 ALA B H3 18 ATOM 24824 H HA . ALA B 1 1 ? 30.376 -0.965 -5.984 1.00 0.00 ? 1 ALA B HA 18 ATOM 24825 H HB1 . ALA B 1 1 ? 29.364 -1.917 -8.070 1.00 0.00 ? 1 ALA B HB1 18 ATOM 24826 H HB2 . ALA B 1 1 ? 30.325 -0.457 -8.306 1.00 0.00 ? 1 ALA B HB2 18 ATOM 24827 H HB3 . ALA B 1 1 ? 30.995 -2.032 -8.730 1.00 0.00 ? 1 ALA B HB3 18 ATOM 24828 N N . LEU B 1 2 ? 31.260 -3.348 -4.939 1.00 0.00 ? 2 LEU B N 18 ATOM 24829 C CA . LEU B 1 2 ? 31.135 -4.671 -4.339 1.00 0.00 ? 2 LEU B CA 18 ATOM 24830 C C . LEU B 1 2 ? 29.777 -4.819 -3.659 1.00 0.00 ? 2 LEU B C 18 ATOM 24831 O O . LEU B 1 2 ? 28.921 -3.944 -3.771 1.00 0.00 ? 2 LEU B O 18 ATOM 24832 C CB . LEU B 1 2 ? 32.260 -4.902 -3.326 1.00 0.00 ? 2 LEU B CB 18 ATOM 24833 C CG . LEU B 1 2 ? 33.528 -5.540 -3.900 1.00 0.00 ? 2 LEU B CG 18 ATOM 24834 C CD1 . LEU B 1 2 ? 34.713 -4.598 -3.748 1.00 0.00 ? 2 LEU B CD1 18 ATOM 24835 C CD2 . LEU B 1 2 ? 33.812 -6.870 -3.219 1.00 0.00 ? 2 LEU B CD2 18 ATOM 24836 H H . LEU B 1 2 ? 31.750 -2.650 -4.459 1.00 0.00 ? 2 LEU B H 18 ATOM 24837 H HA . LEU B 1 2 ? 31.213 -5.404 -5.128 1.00 0.00 ? 2 LEU B HA 18 ATOM 24838 H HB2 . LEU B 1 2 ? 32.526 -3.950 -2.892 1.00 0.00 ? 2 LEU B HB2 18 ATOM 24839 H HB3 . LEU B 1 2 ? 31.886 -5.543 -2.543 1.00 0.00 ? 2 LEU B HB3 18 ATOM 24840 H HG . LEU B 1 2 ? 33.384 -5.726 -4.954 1.00 0.00 ? 2 LEU B HG 18 ATOM 24841 H HD11 . LEU B 1 2 ? 34.570 -3.978 -2.875 1.00 0.00 ? 2 LEU B HD11 18 ATOM 24842 H HD12 . LEU B 1 2 ? 35.619 -5.175 -3.635 1.00 0.00 ? 2 LEU B HD12 18 ATOM 24843 H HD13 . LEU B 1 2 ? 34.792 -3.973 -4.625 1.00 0.00 ? 2 LEU B HD13 18 ATOM 24844 H HD21 . LEU B 1 2 ? 33.298 -6.905 -2.270 1.00 0.00 ? 2 LEU B HD21 18 ATOM 24845 H HD22 . LEU B 1 2 ? 33.466 -7.677 -3.847 1.00 0.00 ? 2 LEU B HD22 18 ATOM 24846 H HD23 . LEU B 1 2 ? 34.875 -6.971 -3.056 1.00 0.00 ? 2 LEU B HD23 18 ATOM 24847 N N . LYS B 1 3 ? 29.584 -5.930 -2.955 1.00 0.00 ? 3 LYS B N 18 ATOM 24848 C CA . LYS B 1 3 ? 28.325 -6.190 -2.256 1.00 0.00 ? 3 LYS B CA 18 ATOM 24849 C C . LYS B 1 3 ? 27.119 -5.826 -3.122 1.00 0.00 ? 3 LYS B C 18 ATOM 24850 O O . LYS B 1 3 ? 26.490 -4.787 -2.924 1.00 0.00 ? 3 LYS B O 18 ATOM 24851 C CB . LYS B 1 3 ? 28.277 -5.410 -0.939 1.00 0.00 ? 3 LYS B CB 18 ATOM 24852 C CG . LYS B 1 3 ? 27.965 -6.279 0.268 1.00 0.00 ? 3 LYS B CG 18 ATOM 24853 C CD . LYS B 1 3 ? 29.222 -6.612 1.055 1.00 0.00 ? 3 LYS B CD 18 ATOM 24854 C CE . LYS B 1 3 ? 29.052 -7.888 1.862 1.00 0.00 ? 3 LYS B CE 18 ATOM 24855 N NZ . LYS B 1 3 ? 30.362 -8.520 2.183 1.00 0.00 ? 3 LYS B NZ 18 ATOM 24856 H H . LYS B 1 3 ? 30.302 -6.593 -2.902 1.00 0.00 ? 3 LYS B H 18 ATOM 24857 H HA . LYS B 1 3 ? 28.284 -7.246 -2.036 1.00 0.00 ? 3 LYS B HA 18 ATOM 24858 H HB2 . LYS B 1 3 ? 29.234 -4.938 -0.778 1.00 0.00 ? 3 LYS B HB2 18 ATOM 24859 H HB3 . LYS B 1 3 ? 27.516 -4.646 -1.011 1.00 0.00 ? 3 LYS B HB3 18 ATOM 24860 H HG2 . LYS B 1 3 ? 27.278 -5.751 0.913 1.00 0.00 ? 3 LYS B HG2 18 ATOM 24861 H HG3 . LYS B 1 3 ? 27.509 -7.199 -0.071 1.00 0.00 ? 3 LYS B HG3 18 ATOM 24862 H HD2 . LYS B 1 3 ? 30.043 -6.741 0.365 1.00 0.00 ? 3 LYS B HD2 18 ATOM 24863 H HD3 . LYS B 1 3 ? 29.440 -5.797 1.728 1.00 0.00 ? 3 LYS B HD3 18 ATOM 24864 H HE2 . LYS B 1 3 ? 28.542 -7.651 2.783 1.00 0.00 ? 3 LYS B HE2 18 ATOM 24865 H HE3 . LYS B 1 3 ? 28.456 -8.584 1.290 1.00 0.00 ? 3 LYS B HE3 18 ATOM 24866 H HZ1 . LYS B 1 3 ? 30.953 -7.861 2.727 1.00 0.00 ? 3 LYS B HZ1 18 ATOM 24867 H HZ2 . LYS B 1 3 ? 30.215 -9.382 2.748 1.00 0.00 ? 3 LYS B HZ2 18 ATOM 24868 H HZ3 . LYS B 1 3 ? 30.860 -8.776 1.307 1.00 0.00 ? 3 LYS B HZ3 18 ATOM 24869 N N . LYS B 1 4 ? 26.804 -6.688 -4.081 1.00 0.00 ? 4 LYS B N 18 ATOM 24870 C CA . LYS B 1 4 ? 25.676 -6.456 -4.973 1.00 0.00 ? 4 LYS B CA 18 ATOM 24871 C C . LYS B 1 4 ? 24.421 -7.157 -4.461 1.00 0.00 ? 4 LYS B C 18 ATOM 24872 O O . LYS B 1 4 ? 23.503 -7.446 -5.228 1.00 0.00 ? 4 LYS B O 18 ATOM 24873 C CB . LYS B 1 4 ? 26.006 -6.943 -6.385 1.00 0.00 ? 4 LYS B CB 18 ATOM 24874 C CG . LYS B 1 4 ? 26.268 -8.437 -6.467 1.00 0.00 ? 4 LYS B CG 18 ATOM 24875 C CD . LYS B 1 4 ? 25.014 -9.201 -6.859 1.00 0.00 ? 4 LYS B CD 18 ATOM 24876 C CE . LYS B 1 4 ? 25.353 -10.552 -7.467 1.00 0.00 ? 4 LYS B CE 18 ATOM 24877 N NZ . LYS B 1 4 ? 24.132 -11.293 -7.887 1.00 0.00 ? 4 LYS B NZ 18 ATOM 24878 H H . LYS B 1 4 ? 27.342 -7.501 -4.191 1.00 0.00 ? 4 LYS B H 18 ATOM 24879 H HA . LYS B 1 4 ? 25.491 -5.392 -5.003 1.00 0.00 ? 4 LYS B HA 18 ATOM 24880 H HB2 . LYS B 1 4 ? 25.179 -6.707 -7.037 1.00 0.00 ? 4 LYS B HB2 18 ATOM 24881 H HB3 . LYS B 1 4 ? 26.887 -6.425 -6.734 1.00 0.00 ? 4 LYS B HB3 18 ATOM 24882 H HG2 . LYS B 1 4 ? 27.034 -8.619 -7.206 1.00 0.00 ? 4 LYS B HG2 18 ATOM 24883 H HG3 . LYS B 1 4 ? 26.605 -8.786 -5.502 1.00 0.00 ? 4 LYS B HG3 18 ATOM 24884 H HD2 . LYS B 1 4 ? 24.408 -9.354 -5.980 1.00 0.00 ? 4 LYS B HD2 18 ATOM 24885 H HD3 . LYS B 1 4 ? 24.462 -8.618 -7.583 1.00 0.00 ? 4 LYS B HD3 18 ATOM 24886 H HE2 . LYS B 1 4 ? 25.983 -10.397 -8.330 1.00 0.00 ? 4 LYS B HE2 18 ATOM 24887 H HE3 . LYS B 1 4 ? 25.886 -11.138 -6.733 1.00 0.00 ? 4 LYS B HE3 18 ATOM 24888 H HZ1 . LYS B 1 4 ? 23.314 -10.984 -7.324 1.00 0.00 ? 4 LYS B HZ1 18 ATOM 24889 H HZ2 . LYS B 1 4 ? 23.934 -11.116 -8.892 1.00 0.00 ? 4 LYS B HZ2 18 ATOM 24890 H HZ3 . LYS B 1 4 ? 24.268 -12.315 -7.746 1.00 0.00 ? 4 LYS B HZ3 18 ATOM 24891 N N . HIS B 1 5 ? 24.387 -7.423 -3.158 1.00 0.00 ? 5 HIS B N 18 ATOM 24892 C CA . HIS B 1 5 ? 23.242 -8.085 -2.544 1.00 0.00 ? 5 HIS B CA 18 ATOM 24893 C C . HIS B 1 5 ? 22.363 -7.073 -1.821 1.00 0.00 ? 5 HIS B C 18 ATOM 24894 O O . HIS B 1 5 ? 21.144 -7.231 -1.747 1.00 0.00 ? 5 HIS B O 18 ATOM 24895 C CB . HIS B 1 5 ? 23.709 -9.165 -1.562 1.00 0.00 ? 5 HIS B CB 18 ATOM 24896 C CG . HIS B 1 5 ? 24.967 -9.860 -1.982 1.00 0.00 ? 5 HIS B CG 18 ATOM 24897 N ND1 . HIS B 1 5 ? 25.309 -10.067 -3.303 1.00 0.00 ? 5 HIS B ND1 18 ATOM 24898 C CD2 . HIS B 1 5 ? 25.971 -10.396 -1.247 1.00 0.00 ? 5 HIS B CD2 18 ATOM 24899 C CE1 . HIS B 1 5 ? 26.467 -10.701 -3.361 1.00 0.00 ? 5 HIS B CE1 18 ATOM 24900 N NE2 . HIS B 1 5 ? 26.889 -10.911 -2.129 1.00 0.00 ? 5 HIS B NE2 18 ATOM 24901 H H . HIS B 1 5 ? 25.147 -7.166 -2.596 1.00 0.00 ? 5 HIS B H 18 ATOM 24902 H HA . HIS B 1 5 ? 22.665 -8.550 -3.330 1.00 0.00 ? 5 HIS B HA 18 ATOM 24903 H HB2 . HIS B 1 5 ? 23.888 -8.711 -0.599 1.00 0.00 ? 5 HIS B HB2 18 ATOM 24904 H HB3 . HIS B 1 5 ? 22.934 -9.910 -1.464 1.00 0.00 ? 5 HIS B HB3 18 ATOM 24905 H HD1 . HIS B 1 5 ? 24.781 -9.791 -4.080 1.00 0.00 ? 5 HIS B HD1 18 ATOM 24906 H HD2 . HIS B 1 5 ? 26.036 -10.415 -0.169 1.00 0.00 ? 5 HIS B HD2 18 ATOM 24907 H HE1 . HIS B 1 5 ? 26.981 -10.995 -4.265 1.00 0.00 ? 5 HIS B HE1 18 ATOM 24908 H HE2 . HIS B 1 5 ? 27.723 -11.364 -1.885 1.00 0.00 ? 5 HIS B HE2 18 ATOM 24909 N N . HIS B 1 6 ? 22.993 -6.030 -1.289 1.00 0.00 ? 6 HIS B N 18 ATOM 24910 C CA . HIS B 1 6 ? 22.274 -4.986 -0.571 1.00 0.00 ? 6 HIS B CA 18 ATOM 24911 C C . HIS B 1 6 ? 21.509 -4.089 -1.536 1.00 0.00 ? 6 HIS B C 18 ATOM 24912 O O . HIS B 1 6 ? 20.381 -3.687 -1.260 1.00 0.00 ? 6 HIS B O 18 ATOM 24913 C CB . HIS B 1 6 ? 23.246 -4.148 0.262 1.00 0.00 ? 6 HIS B CB 18 ATOM 24914 C CG . HIS B 1 6 ? 23.483 -4.696 1.634 1.00 0.00 ? 6 HIS B CG 18 ATOM 24915 N ND1 . HIS B 1 6 ? 23.541 -6.047 1.907 1.00 0.00 ? 6 HIS B ND1 18 ATOM 24916 C CD2 . HIS B 1 6 ? 23.680 -4.067 2.818 1.00 0.00 ? 6 HIS B CD2 18 ATOM 24917 C CE1 . HIS B 1 6 ? 23.761 -6.226 3.197 1.00 0.00 ? 6 HIS B CE1 18 ATOM 24918 N NE2 . HIS B 1 6 ? 23.850 -5.040 3.772 1.00 0.00 ? 6 HIS B NE2 18 ATOM 24919 H H . HIS B 1 6 ? 23.966 -5.962 -1.383 1.00 0.00 ? 6 HIS B H 18 ATOM 24920 H HA . HIS B 1 6 ? 21.568 -5.465 0.092 1.00 0.00 ? 6 HIS B HA 18 ATOM 24921 H HB2 . HIS B 1 6 ? 24.198 -4.103 -0.246 1.00 0.00 ? 6 HIS B HB2 18 ATOM 24922 H HB3 . HIS B 1 6 ? 22.851 -3.148 0.366 1.00 0.00 ? 6 HIS B HB3 18 ATOM 24923 H HD1 . HIS B 1 6 ? 23.435 -6.768 1.252 1.00 0.00 ? 6 HIS B HD1 18 ATOM 24924 H HD2 . HIS B 1 6 ? 23.700 -2.998 2.980 1.00 0.00 ? 6 HIS B HD2 18 ATOM 24925 H HE1 . HIS B 1 6 ? 23.854 -7.178 3.698 1.00 0.00 ? 6 HIS B HE1 18 ATOM 24926 H HE2 . HIS B 1 6 ? 24.012 -4.883 4.725 1.00 0.00 ? 6 HIS B HE2 18 ATOM 24927 N N . GLU B 1 7 ? 22.128 -3.777 -2.670 1.00 0.00 ? 7 GLU B N 18 ATOM 24928 C CA . GLU B 1 7 ? 21.496 -2.925 -3.672 1.00 0.00 ? 7 GLU B CA 18 ATOM 24929 C C . GLU B 1 7 ? 20.313 -3.636 -4.317 1.00 0.00 ? 7 GLU B C 18 ATOM 24930 O O . GLU B 1 7 ? 19.323 -3.005 -4.687 1.00 0.00 ? 7 GLU B O 18 ATOM 24931 C CB . GLU B 1 7 ? 22.509 -2.514 -4.741 1.00 0.00 ? 7 GLU B CB 18 ATOM 24932 C CG . GLU B 1 7 ? 23.822 -2.004 -4.171 1.00 0.00 ? 7 GLU B CG 18 ATOM 24933 C CD . GLU B 1 7 ? 25.031 -2.625 -4.844 1.00 0.00 ? 7 GLU B CD 18 ATOM 24934 O OE1 . GLU B 1 7 ? 24.857 -3.263 -5.903 1.00 0.00 ? 7 GLU B OE1 18 ATOM 24935 O OE2 . GLU B 1 7 ? 26.150 -2.472 -4.311 1.00 0.00 ? 7 GLU B OE2 18 ATOM 24936 H H . GLU B 1 7 ? 23.028 -4.127 -2.838 1.00 0.00 ? 7 GLU B H 18 ATOM 24937 H HA . GLU B 1 7 ? 21.134 -2.040 -3.169 1.00 0.00 ? 7 GLU B HA 18 ATOM 24938 H HB2 . GLU B 1 7 ? 22.722 -3.369 -5.366 1.00 0.00 ? 7 GLU B HB2 18 ATOM 24939 H HB3 . GLU B 1 7 ? 22.078 -1.734 -5.349 1.00 0.00 ? 7 GLU B HB3 18 ATOM 24940 H HG2 . GLU B 1 7 ? 23.866 -0.933 -4.304 1.00 0.00 ? 7 GLU B HG2 18 ATOM 24941 H HG3 . GLU B 1 7 ? 23.857 -2.236 -3.116 1.00 0.00 ? 7 GLU B HG3 18 ATOM 24942 N N . ASN B 1 8 ? 20.419 -4.953 -4.443 1.00 0.00 ? 8 ASN B N 18 ATOM 24943 C CA . ASN B 1 8 ? 19.350 -5.748 -5.035 1.00 0.00 ? 8 ASN B CA 18 ATOM 24944 C C . ASN B 1 8 ? 18.135 -5.769 -4.117 1.00 0.00 ? 8 ASN B C 18 ATOM 24945 O O . ASN B 1 8 ? 16.998 -5.615 -4.566 1.00 0.00 ? 8 ASN B O 18 ATOM 24946 C CB . ASN B 1 8 ? 19.832 -7.175 -5.300 1.00 0.00 ? 8 ASN B CB 18 ATOM 24947 C CG . ASN B 1 8 ? 20.010 -7.462 -6.778 1.00 0.00 ? 8 ASN B CG 18 ATOM 24948 O OD1 . ASN B 1 8 ? 19.635 -6.654 -7.628 1.00 0.00 ? 8 ASN B OD1 18 ATOM 24949 N ND2 . ASN B 1 8 ? 20.586 -8.616 -7.092 1.00 0.00 ? 8 ASN B ND2 18 ATOM 24950 H H . ASN B 1 8 ? 21.229 -5.402 -4.123 1.00 0.00 ? 8 ASN B H 18 ATOM 24951 H HA . ASN B 1 8 ? 19.074 -5.289 -5.973 1.00 0.00 ? 8 ASN B HA 18 ATOM 24952 H HB2 . ASN B 1 8 ? 20.781 -7.325 -4.807 1.00 0.00 ? 8 ASN B HB2 18 ATOM 24953 H HB3 . ASN B 1 8 ? 19.110 -7.872 -4.901 1.00 0.00 ? 8 ASN B HB3 18 ATOM 24954 H HD21 . ASN B 1 8 ? 20.859 -9.211 -6.363 1.00 0.00 ? 8 ASN B HD21 18 ATOM 24955 H HD22 . ASN B 1 8 ? 20.713 -8.828 -8.041 1.00 0.00 ? 8 ASN B HD22 18 ATOM 24956 N N . GLU B 1 9 ? 18.385 -5.955 -2.825 1.00 0.00 ? 9 GLU B N 18 ATOM 24957 C CA . GLU B 1 9 ? 17.314 -5.991 -1.839 1.00 0.00 ? 9 GLU B CA 18 ATOM 24958 C C . GLU B 1 9 ? 16.558 -4.672 -1.817 1.00 0.00 ? 9 GLU B C 18 ATOM 24959 O O . GLU B 1 9 ? 15.327 -4.655 -1.821 1.00 0.00 ? 9 GLU B O 18 ATOM 24960 C CB . GLU B 1 9 ? 17.876 -6.300 -0.450 1.00 0.00 ? 9 GLU B CB 18 ATOM 24961 C CG . GLU B 1 9 ? 16.816 -6.725 0.553 1.00 0.00 ? 9 GLU B CG 18 ATOM 24962 C CD . GLU B 1 9 ? 17.228 -6.449 1.987 1.00 0.00 ? 9 GLU B CD 18 ATOM 24963 O OE1 . GLU B 1 9 ? 18.365 -5.976 2.198 1.00 0.00 ? 9 GLU B OE1 18 ATOM 24964 O OE2 . GLU B 1 9 ? 16.414 -6.708 2.898 1.00 0.00 ? 9 GLU B OE2 18 ATOM 24965 H H . GLU B 1 9 ? 19.313 -6.067 -2.528 1.00 0.00 ? 9 GLU B H 18 ATOM 24966 H HA . GLU B 1 9 ? 16.628 -6.773 -2.124 1.00 0.00 ? 9 GLU B HA 18 ATOM 24967 H HB2 . GLU B 1 9 ? 18.600 -7.096 -0.536 1.00 0.00 ? 9 GLU B HB2 18 ATOM 24968 H HB3 . GLU B 1 9 ? 18.369 -5.417 -0.069 1.00 0.00 ? 9 GLU B HB3 18 ATOM 24969 H HG2 . GLU B 1 9 ? 15.906 -6.184 0.347 1.00 0.00 ? 9 GLU B HG2 18 ATOM 24970 H HG3 . GLU B 1 9 ? 16.638 -7.784 0.443 1.00 0.00 ? 9 GLU B HG3 18 ATOM 24971 N N . ILE B 1 10 ? 17.293 -3.564 -1.804 1.00 0.00 ? 10 ILE B N 18 ATOM 24972 C CA . ILE B 1 10 ? 16.660 -2.257 -1.795 1.00 0.00 ? 10 ILE B CA 18 ATOM 24973 C C . ILE B 1 10 ? 15.962 -2.003 -3.121 1.00 0.00 ? 10 ILE B C 18 ATOM 24974 O O . ILE B 1 10 ? 14.981 -1.273 -3.184 1.00 0.00 ? 10 ILE B O 18 ATOM 24975 C CB . ILE B 1 10 ? 17.663 -1.125 -1.507 1.00 0.00 ? 10 ILE B CB 18 ATOM 24976 C CG1 . ILE B 1 10 ? 18.651 -0.956 -2.658 1.00 0.00 ? 10 ILE B CG1 18 ATOM 24977 C CG2 . ILE B 1 10 ? 18.406 -1.399 -0.212 1.00 0.00 ? 10 ILE B CG2 18 ATOM 24978 C CD1 . ILE B 1 10 ? 19.681 0.122 -2.398 1.00 0.00 ? 10 ILE B CD1 18 ATOM 24979 H H . ILE B 1 10 ? 18.272 -3.629 -1.811 1.00 0.00 ? 10 ILE B H 18 ATOM 24980 H HA . ILE B 1 10 ? 15.918 -2.257 -1.010 1.00 0.00 ? 10 ILE B HA 18 ATOM 24981 H HB . ILE B 1 10 ? 17.107 -0.207 -1.383 1.00 0.00 ? 10 ILE B HB 18 ATOM 24982 H HG12 . ILE B 1 10 ? 19.175 -1.885 -2.817 1.00 0.00 ? 10 ILE B HG12 18 ATOM 24983 H HG13 . ILE B 1 10 ? 18.111 -0.691 -3.555 1.00 0.00 ? 10 ILE B HG13 18 ATOM 24984 H HG21 . ILE B 1 10 ? 17.694 -1.528 0.590 1.00 0.00 ? 10 ILE B HG21 18 ATOM 24985 H HG22 . ILE B 1 10 ? 18.995 -2.297 -0.318 1.00 0.00 ? 10 ILE B HG22 18 ATOM 24986 H HG23 . ILE B 1 10 ? 19.055 -0.566 0.012 1.00 0.00 ? 10 ILE B HG23 18 ATOM 24987 H HD11 . ILE B 1 10 ? 19.480 0.587 -1.441 1.00 0.00 ? 10 ILE B HD11 18 ATOM 24988 H HD12 . ILE B 1 10 ? 20.667 -0.318 -2.385 1.00 0.00 ? 10 ILE B HD12 18 ATOM 24989 H HD13 . ILE B 1 10 ? 19.629 0.867 -3.178 1.00 0.00 ? 10 ILE B HD13 18 ATOM 24990 N N . SER B 1 11 ? 16.460 -2.633 -4.178 1.00 0.00 ? 11 SER B N 18 ATOM 24991 C CA . SER B 1 11 ? 15.854 -2.486 -5.493 1.00 0.00 ? 11 SER B CA 18 ATOM 24992 C C . SER B 1 11 ? 14.404 -2.950 -5.440 1.00 0.00 ? 11 SER B C 18 ATOM 24993 O O . SER B 1 11 ? 13.505 -2.297 -5.979 1.00 0.00 ? 11 SER B O 18 ATOM 24994 C CB . SER B 1 11 ? 16.629 -3.294 -6.535 1.00 0.00 ? 11 SER B CB 18 ATOM 24995 O OG . SER B 1 11 ? 17.108 -2.459 -7.575 1.00 0.00 ? 11 SER B OG 18 ATOM 24996 H H . SER B 1 11 ? 17.235 -3.221 -4.068 1.00 0.00 ? 11 SER B H 18 ATOM 24997 H HA . SER B 1 11 ? 15.880 -1.440 -5.759 1.00 0.00 ? 11 SER B HA 18 ATOM 24998 H HB2 . SER B 1 11 ? 17.471 -3.775 -6.062 1.00 0.00 ? 11 SER B HB2 18 ATOM 24999 H HB3 . SER B 1 11 ? 15.980 -4.044 -6.962 1.00 0.00 ? 11 SER B HB3 18 ATOM 25000 H HG . SER B 1 11 ? 17.234 -2.980 -8.372 1.00 0.00 ? 11 SER B HG 18 ATOM 25001 N N . HIS B 1 12 ? 14.180 -4.074 -4.764 1.00 0.00 ? 12 HIS B N 18 ATOM 25002 C CA . HIS B 1 12 ? 12.839 -4.616 -4.620 1.00 0.00 ? 12 HIS B CA 18 ATOM 25003 C C . HIS B 1 12 ? 12.005 -3.689 -3.729 1.00 0.00 ? 12 HIS B C 18 ATOM 25004 O O . HIS B 1 12 ? 10.827 -3.454 -3.995 1.00 0.00 ? 12 HIS B O 18 ATOM 25005 C CB . HIS B 1 12 ? 12.917 -6.061 -4.071 1.00 0.00 ? 12 HIS B CB 18 ATOM 25006 C CG . HIS B 1 12 ? 11.959 -6.393 -2.962 1.00 0.00 ? 12 HIS B CG 18 ATOM 25007 N ND1 . HIS B 1 12 ? 10.684 -6.871 -3.180 1.00 0.00 ? 12 HIS B ND1 18 ATOM 25008 C CD2 . HIS B 1 12 ? 12.106 -6.310 -1.621 1.00 0.00 ? 12 HIS B CD2 18 ATOM 25009 C CE1 . HIS B 1 12 ? 10.087 -7.067 -2.018 1.00 0.00 ? 12 HIS B CE1 18 ATOM 25010 N NE2 . HIS B 1 12 ? 10.928 -6.735 -1.056 1.00 0.00 ? 12 HIS B NE2 18 ATOM 25011 H H . HIS B 1 12 ? 14.935 -4.544 -4.340 1.00 0.00 ? 12 HIS B H 18 ATOM 25012 H HA . HIS B 1 12 ? 12.391 -4.639 -5.603 1.00 0.00 ? 12 HIS B HA 18 ATOM 25013 H HB2 . HIS B 1 12 ? 12.722 -6.747 -4.880 1.00 0.00 ? 12 HIS B HB2 18 ATOM 25014 H HB3 . HIS B 1 12 ? 13.920 -6.235 -3.704 1.00 0.00 ? 12 HIS B HB3 18 ATOM 25015 H HD1 . HIS B 1 12 ? 10.278 -7.040 -4.055 1.00 0.00 ? 12 HIS B HD1 18 ATOM 25016 H HD2 . HIS B 1 12 ? 12.987 -5.972 -1.095 1.00 0.00 ? 12 HIS B HD2 18 ATOM 25017 H HE1 . HIS B 1 12 ? 9.082 -7.438 -1.878 1.00 0.00 ? 12 HIS B HE1 18 ATOM 25018 H HE2 . HIS B 1 12 ? 10.741 -6.784 -0.096 1.00 0.00 ? 12 HIS B HE2 18 ATOM 25019 N N . HIS B 1 13 ? 12.631 -3.156 -2.681 1.00 0.00 ? 13 HIS B N 18 ATOM 25020 C CA . HIS B 1 13 ? 11.944 -2.247 -1.770 1.00 0.00 ? 13 HIS B CA 18 ATOM 25021 C C . HIS B 1 13 ? 11.485 -0.998 -2.510 1.00 0.00 ? 13 HIS B C 18 ATOM 25022 O O . HIS B 1 13 ? 10.522 -0.350 -2.109 1.00 0.00 ? 13 HIS B O 18 ATOM 25023 C CB . HIS B 1 13 ? 12.853 -1.838 -0.612 1.00 0.00 ? 13 HIS B CB 18 ATOM 25024 C CG . HIS B 1 13 ? 13.413 -2.986 0.162 1.00 0.00 ? 13 HIS B CG 18 ATOM 25025 N ND1 . HIS B 1 13 ? 12.757 -4.188 0.325 1.00 0.00 ? 13 HIS B ND1 18 ATOM 25026 C CD2 . HIS B 1 13 ? 14.579 -3.100 0.834 1.00 0.00 ? 13 HIS B CD2 18 ATOM 25027 C CE1 . HIS B 1 13 ? 13.498 -4.993 1.068 1.00 0.00 ? 13 HIS B CE1 18 ATOM 25028 N NE2 . HIS B 1 13 ? 14.609 -4.356 1.388 1.00 0.00 ? 13 HIS B NE2 18 ATOM 25029 H H . HIS B 1 13 ? 13.574 -3.370 -2.524 1.00 0.00 ? 13 HIS B H 18 ATOM 25030 H HA . HIS B 1 13 ? 11.079 -2.759 -1.378 1.00 0.00 ? 13 HIS B HA 18 ATOM 25031 H HB2 . HIS B 1 13 ? 13.682 -1.268 -1.001 1.00 0.00 ? 13 HIS B HB2 18 ATOM 25032 H HB3 . HIS B 1 13 ? 12.289 -1.221 0.072 1.00 0.00 ? 13 HIS B HB3 18 ATOM 25033 H HD1 . HIS B 1 13 ? 11.879 -4.417 -0.046 1.00 0.00 ? 13 HIS B HD1 18 ATOM 25034 H HD2 . HIS B 1 13 ? 15.342 -2.341 0.917 1.00 0.00 ? 13 HIS B HD2 18 ATOM 25035 H HE1 . HIS B 1 13 ? 13.239 -6.000 1.361 1.00 0.00 ? 13 HIS B HE1 18 ATOM 25036 H HE2 . HIS B 1 13 ? 15.336 -4.722 1.934 1.00 0.00 ? 13 HIS B HE2 18 ATOM 25037 N N . ALA B 1 14 ? 12.180 -0.668 -3.594 1.00 0.00 ? 14 ALA B N 18 ATOM 25038 C CA . ALA B 1 14 ? 11.837 0.499 -4.392 1.00 0.00 ? 14 ALA B CA 18 ATOM 25039 C C . ALA B 1 14 ? 10.542 0.245 -5.141 1.00 0.00 ? 14 ALA B C 18 ATOM 25040 O O . ALA B 1 14 ? 9.584 1.008 -5.029 1.00 0.00 ? 14 ALA B O 18 ATOM 25041 C CB . ALA B 1 14 ? 12.961 0.836 -5.360 1.00 0.00 ? 14 ALA B CB 18 ATOM 25042 H H . ALA B 1 14 ? 12.935 -1.227 -3.867 1.00 0.00 ? 14 ALA B H 18 ATOM 25043 H HA . ALA B 1 14 ? 11.698 1.336 -3.723 1.00 0.00 ? 14 ALA B HA 18 ATOM 25044 H HB1 . ALA B 1 14 ? 13.178 -0.026 -5.973 1.00 0.00 ? 14 ALA B HB1 18 ATOM 25045 H HB2 . ALA B 1 14 ? 13.845 1.113 -4.803 1.00 0.00 ? 14 ALA B HB2 18 ATOM 25046 H HB3 . ALA B 1 14 ? 12.659 1.660 -5.990 1.00 0.00 ? 14 ALA B HB3 18 ATOM 25047 N N . LYS B 1 15 ? 10.513 -0.852 -5.886 1.00 0.00 ? 15 LYS B N 18 ATOM 25048 C CA . LYS B 1 15 ? 9.320 -1.225 -6.629 1.00 0.00 ? 15 LYS B CA 18 ATOM 25049 C C . LYS B 1 15 ? 8.211 -1.663 -5.669 1.00 0.00 ? 15 LYS B C 18 ATOM 25050 O O . LYS B 1 15 ? 7.060 -1.828 -6.075 1.00 0.00 ? 15 LYS B O 18 ATOM 25051 C CB . LYS B 1 15 ? 9.635 -2.349 -7.616 1.00 0.00 ? 15 LYS B CB 18 ATOM 25052 C CG . LYS B 1 15 ? 10.728 -1.996 -8.612 1.00 0.00 ? 15 LYS B CG 18 ATOM 25053 C CD . LYS B 1 15 ? 10.522 -2.705 -9.940 1.00 0.00 ? 15 LYS B CD 18 ATOM 25054 C CE . LYS B 1 15 ? 10.136 -1.727 -11.039 1.00 0.00 ? 15 LYS B CE 18 ATOM 25055 N NZ . LYS B 1 15 ? 11.330 -1.187 -11.745 1.00 0.00 ? 15 LYS B NZ 18 ATOM 25056 H H . LYS B 1 15 ? 11.304 -1.434 -5.921 1.00 0.00 ? 15 LYS B H 18 ATOM 25057 H HA . LYS B 1 15 ? 8.985 -0.356 -7.176 1.00 0.00 ? 15 LYS B HA 18 ATOM 25058 H HB2 . LYS B 1 15 ? 9.951 -3.222 -7.062 1.00 0.00 ? 15 LYS B HB2 18 ATOM 25059 H HB3 . LYS B 1 15 ? 8.739 -2.590 -8.169 1.00 0.00 ? 15 LYS B HB3 18 ATOM 25060 H HG2 . LYS B 1 15 ? 10.718 -0.929 -8.778 1.00 0.00 ? 15 LYS B HG2 18 ATOM 25061 H HG3 . LYS B 1 15 ? 11.684 -2.290 -8.201 1.00 0.00 ? 15 LYS B HG3 18 ATOM 25062 H HD2 . LYS B 1 15 ? 11.438 -3.201 -10.219 1.00 0.00 ? 15 LYS B HD2 18 ATOM 25063 H HD3 . LYS B 1 15 ? 9.734 -3.436 -9.828 1.00 0.00 ? 15 LYS B HD3 18 ATOM 25064 H HE2 . LYS B 1 15 ? 9.508 -2.238 -11.753 1.00 0.00 ? 15 LYS B HE2 18 ATOM 25065 H HE3 . LYS B 1 15 ? 9.588 -0.908 -10.597 1.00 0.00 ? 15 LYS B HE3 18 ATOM 25066 H HZ1 . LYS B 1 15 ? 12.196 -1.437 -11.227 1.00 0.00 ? 15 LYS B HZ1 18 ATOM 25067 H HZ2 . LYS B 1 15 ? 11.388 -1.583 -12.705 1.00 0.00 ? 15 LYS B HZ2 18 ATOM 25068 H HZ3 . LYS B 1 15 ? 11.268 -0.151 -11.812 1.00 0.00 ? 15 LYS B HZ3 18 ATOM 25069 N N . GLU B 1 16 ? 8.563 -1.850 -4.393 1.00 0.00 ? 16 GLU B N 18 ATOM 25070 C CA . GLU B 1 16 ? 7.595 -2.266 -3.388 1.00 0.00 ? 16 GLU B CA 18 ATOM 25071 C C . GLU B 1 16 ? 6.863 -1.065 -2.798 1.00 0.00 ? 16 GLU B C 18 ATOM 25072 O O . GLU B 1 16 ? 5.667 -1.140 -2.526 1.00 0.00 ? 16 GLU B O 18 ATOM 25073 C CB . GLU B 1 16 ? 8.288 -3.055 -2.273 1.00 0.00 ? 16 GLU B CB 18 ATOM 25074 C CG . GLU B 1 16 ? 8.416 -4.542 -2.565 1.00 0.00 ? 16 GLU B CG 18 ATOM 25075 C CD . GLU B 1 16 ? 7.108 -5.169 -3.006 1.00 0.00 ? 16 GLU B CD 18 ATOM 25076 O OE1 . GLU B 1 16 ? 6.044 -4.577 -2.731 1.00 0.00 ? 16 GLU B OE1 18 ATOM 25077 O OE2 . GLU B 1 16 ? 7.148 -6.253 -3.625 1.00 0.00 ? 16 GLU B OE2 18 ATOM 25078 H H . GLU B 1 16 ? 9.490 -1.706 -4.122 1.00 0.00 ? 16 GLU B H 18 ATOM 25079 H HA . GLU B 1 16 ? 6.873 -2.906 -3.872 1.00 0.00 ? 16 GLU B HA 18 ATOM 25080 H HB2 . GLU B 1 16 ? 9.280 -2.653 -2.128 1.00 0.00 ? 16 GLU B HB2 18 ATOM 25081 H HB3 . GLU B 1 16 ? 7.724 -2.936 -1.361 1.00 0.00 ? 16 GLU B HB3 18 ATOM 25082 H HG2 . GLU B 1 16 ? 9.145 -4.682 -3.349 1.00 0.00 ? 16 GLU B HG2 18 ATOM 25083 H HG3 . GLU B 1 16 ? 8.754 -5.043 -1.669 1.00 0.00 ? 16 GLU B HG3 18 ATOM 25084 N N . ILE B 1 17 ? 7.576 0.044 -2.606 1.00 0.00 ? 17 ILE B N 18 ATOM 25085 C CA . ILE B 1 17 ? 6.963 1.250 -2.056 1.00 0.00 ? 17 ILE B CA 18 ATOM 25086 C C . ILE B 1 17 ? 6.102 1.934 -3.115 1.00 0.00 ? 17 ILE B C 18 ATOM 25087 O O . ILE B 1 17 ? 5.070 2.530 -2.801 1.00 0.00 ? 17 ILE B O 18 ATOM 25088 C CB . ILE B 1 17 ? 8.029 2.239 -1.522 1.00 0.00 ? 17 ILE B CB 18 ATOM 25089 C CG1 . ILE B 1 17 ? 7.383 3.573 -1.121 1.00 0.00 ? 17 ILE B CG1 18 ATOM 25090 C CG2 . ILE B 1 17 ? 9.122 2.454 -2.559 1.00 0.00 ? 17 ILE B CG2 18 ATOM 25091 C CD1 . ILE B 1 17 ? 8.378 4.631 -0.696 1.00 0.00 ? 17 ILE B CD1 18 ATOM 25092 H H . ILE B 1 17 ? 8.531 0.056 -2.845 1.00 0.00 ? 17 ILE B H 18 ATOM 25093 H HA . ILE B 1 17 ? 6.329 0.956 -1.230 1.00 0.00 ? 17 ILE B HA 18 ATOM 25094 H HB . ILE B 1 17 ? 8.484 1.795 -0.647 1.00 0.00 ? 17 ILE B HB 18 ATOM 25095 H HG12 . ILE B 1 17 ? 6.828 3.962 -1.961 1.00 0.00 ? 17 ILE B HG12 18 ATOM 25096 H HG13 . ILE B 1 17 ? 6.705 3.403 -0.297 1.00 0.00 ? 17 ILE B HG13 18 ATOM 25097 H HG21 . ILE B 1 17 ? 8.704 2.348 -3.549 1.00 0.00 ? 17 ILE B HG21 18 ATOM 25098 H HG22 . ILE B 1 17 ? 9.538 3.443 -2.449 1.00 0.00 ? 17 ILE B HG22 18 ATOM 25099 H HG23 . ILE B 1 17 ? 9.901 1.719 -2.416 1.00 0.00 ? 17 ILE B HG23 18 ATOM 25100 H HD11 . ILE B 1 17 ? 9.202 4.163 -0.180 1.00 0.00 ? 17 ILE B HD11 18 ATOM 25101 H HD12 . ILE B 1 17 ? 8.748 5.149 -1.569 1.00 0.00 ? 17 ILE B HD12 18 ATOM 25102 H HD13 . ILE B 1 17 ? 7.895 5.336 -0.037 1.00 0.00 ? 17 ILE B HD13 18 ATOM 25103 N N . GLU B 1 18 ? 6.525 1.833 -4.371 1.00 0.00 ? 18 GLU B N 18 ATOM 25104 C CA . GLU B 1 18 ? 5.785 2.434 -5.472 1.00 0.00 ? 18 GLU B CA 18 ATOM 25105 C C . GLU B 1 18 ? 4.566 1.589 -5.824 1.00 0.00 ? 18 GLU B C 18 ATOM 25106 O O . GLU B 1 18 ? 3.486 2.119 -6.089 1.00 0.00 ? 18 GLU B O 18 ATOM 25107 C CB . GLU B 1 18 ? 6.686 2.589 -6.698 1.00 0.00 ? 18 GLU B CB 18 ATOM 25108 C CG . GLU B 1 18 ? 7.623 3.784 -6.617 1.00 0.00 ? 18 GLU B CG 18 ATOM 25109 C CD . GLU B 1 18 ? 8.345 4.047 -7.924 1.00 0.00 ? 18 GLU B CD 18 ATOM 25110 O OE1 . GLU B 1 18 ? 7.782 3.722 -8.990 1.00 0.00 ? 18 GLU B OE1 18 ATOM 25111 O OE2 . GLU B 1 18 ? 9.475 4.579 -7.881 1.00 0.00 ? 18 GLU B OE2 18 ATOM 25112 H H . GLU B 1 18 ? 7.351 1.337 -4.561 1.00 0.00 ? 18 GLU B H 18 ATOM 25113 H HA . GLU B 1 18 ? 5.450 3.410 -5.154 1.00 0.00 ? 18 GLU B HA 18 ATOM 25114 H HB2 . GLU B 1 18 ? 7.285 1.697 -6.807 1.00 0.00 ? 18 GLU B HB2 18 ATOM 25115 H HB3 . GLU B 1 18 ? 6.066 2.705 -7.575 1.00 0.00 ? 18 GLU B HB3 18 ATOM 25116 H HG2 . GLU B 1 18 ? 7.047 4.660 -6.359 1.00 0.00 ? 18 GLU B HG2 18 ATOM 25117 H HG3 . GLU B 1 18 ? 8.357 3.597 -5.847 1.00 0.00 ? 18 GLU B HG3 18 ATOM 25118 N N . ARG B 1 19 ? 4.743 0.271 -5.818 1.00 0.00 ? 19 ARG B N 18 ATOM 25119 C CA . ARG B 1 19 ? 3.654 -0.643 -6.132 1.00 0.00 ? 19 ARG B CA 18 ATOM 25120 C C . ARG B 1 19 ? 2.661 -0.712 -4.979 1.00 0.00 ? 19 ARG B C 18 ATOM 25121 O O . ARG B 1 19 ? 1.482 -1.007 -5.178 1.00 0.00 ? 19 ARG B O 18 ATOM 25122 C CB . ARG B 1 19 ? 4.200 -2.040 -6.438 1.00 0.00 ? 19 ARG B CB 18 ATOM 25123 C CG . ARG B 1 19 ? 3.221 -2.924 -7.192 1.00 0.00 ? 19 ARG B CG 18 ATOM 25124 C CD . ARG B 1 19 ? 3.807 -4.303 -7.457 1.00 0.00 ? 19 ARG B CD 18 ATOM 25125 N NE . ARG B 1 19 ? 3.460 -5.256 -6.407 1.00 0.00 ? 19 ARG B NE 18 ATOM 25126 C CZ . ARG B 1 19 ? 2.214 -5.638 -6.143 1.00 0.00 ? 19 ARG B CZ 18 ATOM 25127 N NH1 . ARG B 1 19 ? 1.204 -5.151 -6.850 1.00 0.00 ? 19 ARG B NH1 18 ATOM 25128 N NH2 . ARG B 1 19 ? 1.978 -6.511 -5.172 1.00 0.00 ? 19 ARG B NH2 18 ATOM 25129 H H . ARG B 1 19 ? 5.626 -0.093 -5.594 1.00 0.00 ? 19 ARG B H 18 ATOM 25130 H HA . ARG B 1 19 ? 3.145 -0.265 -7.005 1.00 0.00 ? 19 ARG B HA 18 ATOM 25131 H HB2 . ARG B 1 19 ? 5.096 -1.940 -7.033 1.00 0.00 ? 19 ARG B HB2 18 ATOM 25132 H HB3 . ARG B 1 19 ? 4.450 -2.527 -5.506 1.00 0.00 ? 19 ARG B HB3 18 ATOM 25133 H HG2 . ARG B 1 19 ? 2.323 -3.034 -6.604 1.00 0.00 ? 19 ARG B HG2 18 ATOM 25134 H HG3 . ARG B 1 19 ? 2.983 -2.457 -8.135 1.00 0.00 ? 19 ARG B HG3 18 ATOM 25135 H HD2 . ARG B 1 19 ? 3.428 -4.666 -8.399 1.00 0.00 ? 19 ARG B HD2 18 ATOM 25136 H HD3 . ARG B 1 19 ? 4.883 -4.218 -7.511 1.00 0.00 ? 19 ARG B HD3 18 ATOM 25137 H HE . ARG B 1 19 ? 4.191 -5.630 -5.872 1.00 0.00 ? 19 ARG B HE 18 ATOM 25138 H HH11 . ARG B 1 19 ? 1.379 -4.493 -7.584 1.00 0.00 ? 19 ARG B HH11 18 ATOM 25139 H HH12 . ARG B 1 19 ? 0.268 -5.440 -6.651 1.00 0.00 ? 19 ARG B HH12 18 ATOM 25140 H HH21 . ARG B 1 19 ? 2.737 -6.881 -4.637 1.00 0.00 ? 19 ARG B HH21 18 ATOM 25141 H HH22 . ARG B 1 19 ? 1.041 -6.797 -4.975 1.00 0.00 ? 19 ARG B HH22 18 ATOM 25142 N N . LEU B 1 20 ? 3.140 -0.427 -3.772 1.00 0.00 ? 20 LEU B N 18 ATOM 25143 C CA . LEU B 1 20 ? 2.288 -0.447 -2.594 1.00 0.00 ? 20 LEU B CA 18 ATOM 25144 C C . LEU B 1 20 ? 1.380 0.775 -2.583 1.00 0.00 ? 20 LEU B C 18 ATOM 25145 O O . LEU B 1 20 ? 0.207 0.685 -2.226 1.00 0.00 ? 20 LEU B O 18 ATOM 25146 C CB . LEU B 1 20 ? 3.131 -0.487 -1.318 1.00 0.00 ? 20 LEU B CB 18 ATOM 25147 C CG . LEU B 1 20 ? 3.364 -1.884 -0.733 1.00 0.00 ? 20 LEU B CG 18 ATOM 25148 C CD1 . LEU B 1 20 ? 2.138 -2.351 0.034 1.00 0.00 ? 20 LEU B CD1 18 ATOM 25149 C CD2 . LEU B 1 20 ? 3.716 -2.875 -1.832 1.00 0.00 ? 20 LEU B CD2 18 ATOM 25150 H H . LEU B 1 20 ? 4.086 -0.190 -3.675 1.00 0.00 ? 20 LEU B H 18 ATOM 25151 H HA . LEU B 1 20 ? 1.676 -1.336 -2.641 1.00 0.00 ? 20 LEU B HA 18 ATOM 25152 H HB2 . LEU B 1 20 ? 4.090 -0.041 -1.530 1.00 0.00 ? 20 LEU B HB2 18 ATOM 25153 H HB3 . LEU B 1 20 ? 2.638 0.108 -0.569 1.00 0.00 ? 20 LEU B HB3 18 ATOM 25154 H HG . LEU B 1 20 ? 4.194 -1.842 -0.041 1.00 0.00 ? 20 LEU B HG 18 ATOM 25155 H HD11 . LEU B 1 20 ? 1.903 -1.634 0.807 1.00 0.00 ? 20 LEU B HD11 18 ATOM 25156 H HD12 . LEU B 1 20 ? 1.301 -2.437 -0.643 1.00 0.00 ? 20 LEU B HD12 18 ATOM 25157 H HD13 . LEU B 1 20 ? 2.339 -3.312 0.484 1.00 0.00 ? 20 LEU B HD13 18 ATOM 25158 H HD21 . LEU B 1 20 ? 3.861 -2.348 -2.763 1.00 0.00 ? 20 LEU B HD21 18 ATOM 25159 H HD22 . LEU B 1 20 ? 4.625 -3.395 -1.569 1.00 0.00 ? 20 LEU B HD22 18 ATOM 25160 H HD23 . LEU B 1 20 ? 2.913 -3.589 -1.943 1.00 0.00 ? 20 LEU B HD23 18 ATOM 25161 N N . GLN B 1 21 ? 1.931 1.917 -2.987 1.00 0.00 ? 21 GLN B N 18 ATOM 25162 C CA . GLN B 1 21 ? 1.165 3.156 -3.035 1.00 0.00 ? 21 GLN B CA 18 ATOM 25163 C C . GLN B 1 21 ? 0.027 3.038 -4.042 1.00 0.00 ? 21 GLN B C 18 ATOM 25164 O O . GLN B 1 21 ? -1.119 3.383 -3.745 1.00 0.00 ? 21 GLN B O 18 ATOM 25165 C CB . GLN B 1 21 ? 2.075 4.329 -3.406 1.00 0.00 ? 21 GLN B CB 18 ATOM 25166 C CG . GLN B 1 21 ? 2.531 5.147 -2.209 1.00 0.00 ? 21 GLN B CG 18 ATOM 25167 C CD . GLN B 1 21 ? 3.229 6.431 -2.614 1.00 0.00 ? 21 GLN B CD 18 ATOM 25168 O OE1 . GLN B 1 21 ? 4.381 6.666 -2.249 1.00 0.00 ? 21 GLN B OE1 18 ATOM 25169 N NE2 . GLN B 1 21 ? 2.532 7.270 -3.371 1.00 0.00 ? 21 GLN B NE2 18 ATOM 25170 H H . GLN B 1 21 ? 2.873 1.924 -3.267 1.00 0.00 ? 21 GLN B H 18 ATOM 25171 H HA . GLN B 1 21 ? 0.749 3.327 -2.054 1.00 0.00 ? 21 GLN B HA 18 ATOM 25172 H HB2 . GLN B 1 21 ? 2.950 3.946 -3.909 1.00 0.00 ? 21 GLN B HB2 18 ATOM 25173 H HB3 . GLN B 1 21 ? 1.541 4.983 -4.080 1.00 0.00 ? 21 GLN B HB3 18 ATOM 25174 H HG2 . GLN B 1 21 ? 1.668 5.399 -1.610 1.00 0.00 ? 21 GLN B HG2 18 ATOM 25175 H HG3 . GLN B 1 21 ? 3.215 4.552 -1.622 1.00 0.00 ? 21 GLN B HG3 18 ATOM 25176 H HE21 . GLN B 1 21 ? 1.620 7.018 -3.623 1.00 0.00 ? 21 GLN B HE21 18 ATOM 25177 H HE22 . GLN B 1 21 ? 2.959 8.108 -3.647 1.00 0.00 ? 21 GLN B HE22 18 ATOM 25178 N N . LYS B 1 22 ? 0.347 2.540 -5.233 1.00 0.00 ? 22 LYS B N 18 ATOM 25179 C CA . LYS B 1 22 ? -0.652 2.370 -6.280 1.00 0.00 ? 22 LYS B CA 18 ATOM 25180 C C . LYS B 1 22 ? -1.697 1.343 -5.859 1.00 0.00 ? 22 LYS B C 18 ATOM 25181 O O . LYS B 1 22 ? -2.861 1.427 -6.249 1.00 0.00 ? 22 LYS B O 18 ATOM 25182 C CB . LYS B 1 22 ? 0.016 1.933 -7.586 1.00 0.00 ? 22 LYS B CB 18 ATOM 25183 C CG . LYS B 1 22 ? -0.719 2.402 -8.831 1.00 0.00 ? 22 LYS B CG 18 ATOM 25184 C CD . LYS B 1 22 ? -1.511 1.272 -9.468 1.00 0.00 ? 22 LYS B CD 18 ATOM 25185 C CE . LYS B 1 22 ? -0.606 0.313 -10.224 1.00 0.00 ? 22 LYS B CE 18 ATOM 25186 N NZ . LYS B 1 22 ? -0.960 -1.109 -9.964 1.00 0.00 ? 22 LYS B NZ 18 ATOM 25187 H H . LYS B 1 22 ? 1.277 2.275 -5.410 1.00 0.00 ? 22 LYS B H 18 ATOM 25188 H HA . LYS B 1 22 ? -1.138 3.321 -6.434 1.00 0.00 ? 22 LYS B HA 18 ATOM 25189 H HB2 . LYS B 1 22 ? 1.019 2.332 -7.615 1.00 0.00 ? 22 LYS B HB2 18 ATOM 25190 H HB3 . LYS B 1 22 ? 0.066 0.854 -7.608 1.00 0.00 ? 22 LYS B HB3 18 ATOM 25191 H HG2 . LYS B 1 22 ? -1.399 3.195 -8.559 1.00 0.00 ? 22 LYS B HG2 18 ATOM 25192 H HG3 . LYS B 1 22 ? 0.003 2.771 -9.545 1.00 0.00 ? 22 LYS B HG3 18 ATOM 25193 H HD2 . LYS B 1 22 ? -2.028 0.726 -8.693 1.00 0.00 ? 22 LYS B HD2 18 ATOM 25194 H HD3 . LYS B 1 22 ? -2.231 1.692 -10.156 1.00 0.00 ? 22 LYS B HD3 18 ATOM 25195 H HE2 . LYS B 1 22 ? -0.697 0.510 -11.282 1.00 0.00 ? 22 LYS B HE2 18 ATOM 25196 H HE3 . LYS B 1 22 ? 0.416 0.483 -9.915 1.00 0.00 ? 22 LYS B HE3 18 ATOM 25197 H HZ1 . LYS B 1 22 ? -1.991 -1.235 -10.017 1.00 0.00 ? 22 LYS B HZ1 18 ATOM 25198 H HZ2 . LYS B 1 22 ? -0.511 -1.725 -10.671 1.00 0.00 ? 22 LYS B HZ2 18 ATOM 25199 H HZ3 . LYS B 1 22 ? -0.635 -1.391 -9.017 1.00 0.00 ? 22 LYS B HZ3 18 ATOM 25200 N N . GLU B 1 23 ? -1.269 0.374 -5.056 1.00 0.00 ? 23 GLU B N 18 ATOM 25201 C CA . GLU B 1 23 ? -2.163 -0.672 -4.576 1.00 0.00 ? 23 GLU B CA 18 ATOM 25202 C C . GLU B 1 23 ? -3.196 -0.102 -3.609 1.00 0.00 ? 23 GLU B C 18 ATOM 25203 O O . GLU B 1 23 ? -4.357 -0.515 -3.611 1.00 0.00 ? 23 GLU B O 18 ATOM 25204 C CB . GLU B 1 23 ? -1.364 -1.782 -3.891 1.00 0.00 ? 23 GLU B CB 18 ATOM 25205 C CG . GLU B 1 23 ? -1.606 -3.160 -4.483 1.00 0.00 ? 23 GLU B CG 18 ATOM 25206 C CD . GLU B 1 23 ? -0.343 -3.996 -4.546 1.00 0.00 ? 23 GLU B CD 18 ATOM 25207 O OE1 . GLU B 1 23 ? 0.690 -3.478 -5.020 1.00 0.00 ? 23 GLU B OE1 18 ATOM 25208 O OE2 . GLU B 1 23 ? -0.387 -5.170 -4.123 1.00 0.00 ? 23 GLU B OE2 18 ATOM 25209 H H . GLU B 1 23 ? -0.329 0.363 -4.779 1.00 0.00 ? 23 GLU B H 18 ATOM 25210 H HA . GLU B 1 23 ? -2.678 -1.086 -5.430 1.00 0.00 ? 23 GLU B HA 18 ATOM 25211 H HB2 . GLU B 1 23 ? -0.311 -1.556 -3.976 1.00 0.00 ? 23 GLU B HB2 18 ATOM 25212 H HB3 . GLU B 1 23 ? -1.634 -1.811 -2.845 1.00 0.00 ? 23 GLU B HB3 18 ATOM 25213 H HG2 . GLU B 1 23 ? -2.332 -3.677 -3.874 1.00 0.00 ? 23 GLU B HG2 18 ATOM 25214 H HG3 . GLU B 1 23 ? -1.995 -3.044 -5.484 1.00 0.00 ? 23 GLU B HG3 18 ATOM 25215 N N . ILE B 1 24 ? -2.772 0.854 -2.787 1.00 0.00 ? 24 ILE B N 18 ATOM 25216 C CA . ILE B 1 24 ? -3.675 1.475 -1.825 1.00 0.00 ? 24 ILE B CA 18 ATOM 25217 C C . ILE B 1 24 ? -4.767 2.254 -2.561 1.00 0.00 ? 24 ILE B C 18 ATOM 25218 O O . ILE B 1 24 ? -5.939 2.209 -2.188 1.00 0.00 ? 24 ILE B O 18 ATOM 25219 C CB . ILE B 1 24 ? -2.922 2.392 -0.801 1.00 0.00 ? 24 ILE B CB 18 ATOM 25220 C CG1 . ILE B 1 24 ? -2.899 3.865 -1.236 1.00 0.00 ? 24 ILE B CG1 18 ATOM 25221 C CG2 . ILE B 1 24 ? -1.500 1.900 -0.573 1.00 0.00 ? 24 ILE B CG2 18 ATOM 25222 C CD1 . ILE B 1 24 ? -4.183 4.598 -0.912 1.00 0.00 ? 24 ILE B CD1 18 ATOM 25223 H H . ILE B 1 24 ? -1.839 1.149 -2.835 1.00 0.00 ? 24 ILE B H 18 ATOM 25224 H HA . ILE B 1 24 ? -4.149 0.676 -1.268 1.00 0.00 ? 24 ILE B HA 18 ATOM 25225 H HB . ILE B 1 24 ? -3.444 2.320 0.143 1.00 0.00 ? 24 ILE B HB 18 ATOM 25226 H HG12 . ILE B 1 24 ? -2.090 4.371 -0.732 1.00 0.00 ? 24 ILE B HG12 18 ATOM 25227 H HG13 . ILE B 1 24 ? -2.745 3.918 -2.304 1.00 0.00 ? 24 ILE B HG13 18 ATOM 25228 H HG21 . ILE B 1 24 ? -1.446 0.844 -0.788 1.00 0.00 ? 24 ILE B HG21 18 ATOM 25229 H HG22 . ILE B 1 24 ? -0.825 2.435 -1.225 1.00 0.00 ? 24 ILE B HG22 18 ATOM 25230 H HG23 . ILE B 1 24 ? -1.221 2.073 0.456 1.00 0.00 ? 24 ILE B HG23 18 ATOM 25231 H HD11 . ILE B 1 24 ? -4.852 3.933 -0.381 1.00 0.00 ? 24 ILE B HD11 18 ATOM 25232 H HD12 . ILE B 1 24 ? -3.962 5.455 -0.294 1.00 0.00 ? 24 ILE B HD12 18 ATOM 25233 H HD13 . ILE B 1 24 ? -4.653 4.925 -1.827 1.00 0.00 ? 24 ILE B HD13 18 ATOM 25234 N N . GLU B 1 25 ? -4.363 2.963 -3.613 1.00 0.00 ? 25 GLU B N 18 ATOM 25235 C CA . GLU B 1 25 ? -5.295 3.749 -4.411 1.00 0.00 ? 25 GLU B CA 18 ATOM 25236 C C . GLU B 1 25 ? -6.392 2.858 -4.984 1.00 0.00 ? 25 GLU B C 18 ATOM 25237 O O . GLU B 1 25 ? -7.571 3.212 -4.954 1.00 0.00 ? 25 GLU B O 18 ATOM 25238 C CB . GLU B 1 25 ? -4.555 4.461 -5.545 1.00 0.00 ? 25 GLU B CB 18 ATOM 25239 C CG . GLU B 1 25 ? -5.338 5.614 -6.152 1.00 0.00 ? 25 GLU B CG 18 ATOM 25240 C CD . GLU B 1 25 ? -4.858 6.966 -5.663 1.00 0.00 ? 25 GLU B CD 18 ATOM 25241 O OE1 . GLU B 1 25 ? -4.659 7.119 -4.440 1.00 0.00 ? 25 GLU B OE1 18 ATOM 25242 O OE2 . GLU B 1 25 ? -4.681 7.872 -6.505 1.00 0.00 ? 25 GLU B OE2 18 ATOM 25243 H H . GLU B 1 25 ? -3.412 2.953 -3.858 1.00 0.00 ? 25 GLU B H 18 ATOM 25244 H HA . GLU B 1 25 ? -5.746 4.487 -3.765 1.00 0.00 ? 25 GLU B HA 18 ATOM 25245 H HB2 . GLU B 1 25 ? -3.623 4.851 -5.162 1.00 0.00 ? 25 GLU B HB2 18 ATOM 25246 H HB3 . GLU B 1 25 ? -4.343 3.747 -6.326 1.00 0.00 ? 25 GLU B HB3 18 ATOM 25247 H HG2 . GLU B 1 25 ? -5.232 5.578 -7.226 1.00 0.00 ? 25 GLU B HG2 18 ATOM 25248 H HG3 . GLU B 1 25 ? -6.380 5.502 -5.890 1.00 0.00 ? 25 GLU B HG3 18 ATOM 25249 N N . ARG B 1 26 ? -5.998 1.697 -5.497 1.00 0.00 ? 26 ARG B N 18 ATOM 25250 C CA . ARG B 1 26 ? -6.955 0.757 -6.065 1.00 0.00 ? 26 ARG B CA 18 ATOM 25251 C C . ARG B 1 26 ? -8.030 0.417 -5.041 1.00 0.00 ? 26 ARG B C 18 ATOM 25252 O O . ARG B 1 26 ? -9.227 0.497 -5.326 1.00 0.00 ? 26 ARG B O 18 ATOM 25253 C CB . ARG B 1 26 ? -6.244 -0.518 -6.522 1.00 0.00 ? 26 ARG B CB 18 ATOM 25254 C CG . ARG B 1 26 ? -5.871 -0.511 -7.996 1.00 0.00 ? 26 ARG B CG 18 ATOM 25255 C CD . ARG B 1 26 ? -6.724 -1.487 -8.791 1.00 0.00 ? 26 ARG B CD 18 ATOM 25256 N NE . ARG B 1 26 ? -8.102 -1.022 -8.928 1.00 0.00 ? 26 ARG B NE 18 ATOM 25257 C CZ . ARG B 1 26 ? -9.107 -1.803 -9.308 1.00 0.00 ? 26 ARG B CZ 18 ATOM 25258 N NH1 . ARG B 1 26 ? -8.887 -3.080 -9.589 1.00 0.00 ? 26 ARG B NH1 18 ATOM 25259 N NH2 . ARG B 1 26 ? -10.333 -1.309 -9.407 1.00 0.00 ? 26 ARG B NH2 18 ATOM 25260 H H . ARG B 1 26 ? -5.046 1.466 -5.488 1.00 0.00 ? 26 ARG B H 18 ATOM 25261 H HA . ARG B 1 26 ? -7.420 1.228 -6.919 1.00 0.00 ? 26 ARG B HA 18 ATOM 25262 H HB2 . ARG B 1 26 ? -5.339 -0.639 -5.944 1.00 0.00 ? 26 ARG B HB2 18 ATOM 25263 H HB3 . ARG B 1 26 ? -6.892 -1.363 -6.341 1.00 0.00 ? 26 ARG B HB3 18 ATOM 25264 H HG2 . ARG B 1 26 ? -6.017 0.483 -8.390 1.00 0.00 ? 26 ARG B HG2 18 ATOM 25265 H HG3 . ARG B 1 26 ? -4.832 -0.792 -8.095 1.00 0.00 ? 26 ARG B HG3 18 ATOM 25266 H HD2 . ARG B 1 26 ? -6.295 -1.601 -9.775 1.00 0.00 ? 26 ARG B HD2 18 ATOM 25267 H HD3 . ARG B 1 26 ? -6.724 -2.440 -8.285 1.00 0.00 ? 26 ARG B HD3 18 ATOM 25268 H HE . ARG B 1 26 ? -8.286 -0.081 -8.725 1.00 0.00 ? 26 ARG B HE 18 ATOM 25269 H HH11 . ARG B 1 26 ? -7.964 -3.457 -9.515 1.00 0.00 ? 26 ARG B HH11 18 ATOM 25270 H HH12 . ARG B 1 26 ? -9.645 -3.667 -9.874 1.00 0.00 ? 26 ARG B HH12 18 ATOM 25271 H HH21 . ARG B 1 26 ? -10.503 -0.346 -9.197 1.00 0.00 ? 26 ARG B HH21 18 ATOM 25272 H HH22 . ARG B 1 26 ? -11.089 -1.898 -9.694 1.00 0.00 ? 26 ARG B HH22 18 ATOM 25273 N N . HIS B 1 27 ? -7.595 0.053 -3.840 1.00 0.00 ? 27 HIS B N 18 ATOM 25274 C CA . HIS B 1 27 ? -8.519 -0.284 -2.767 1.00 0.00 ? 27 HIS B CA 18 ATOM 25275 C C . HIS B 1 27 ? -9.366 0.929 -2.398 1.00 0.00 ? 27 HIS B C 18 ATOM 25276 O O . HIS B 1 27 ? -10.478 0.790 -1.890 1.00 0.00 ? 27 HIS B O 18 ATOM 25277 C CB . HIS B 1 27 ? -7.754 -0.782 -1.540 1.00 0.00 ? 27 HIS B CB 18 ATOM 25278 C CG . HIS B 1 27 ? -7.401 -2.236 -1.605 1.00 0.00 ? 27 HIS B CG 18 ATOM 25279 N ND1 . HIS B 1 27 ? -8.313 -3.244 -1.371 1.00 0.00 ? 27 HIS B ND1 18 ATOM 25280 C CD2 . HIS B 1 27 ? -6.226 -2.851 -1.880 1.00 0.00 ? 27 HIS B CD2 18 ATOM 25281 C CE1 . HIS B 1 27 ? -7.714 -4.415 -1.499 1.00 0.00 ? 27 HIS B CE1 18 ATOM 25282 N NE2 . HIS B 1 27 ? -6.449 -4.203 -1.808 1.00 0.00 ? 27 HIS B NE2 18 ATOM 25283 H H . HIS B 1 27 ? -6.628 0.019 -3.668 1.00 0.00 ? 27 HIS B H 18 ATOM 25284 H HA . HIS B 1 27 ? -9.169 -1.069 -3.122 1.00 0.00 ? 27 HIS B HA 18 ATOM 25285 H HB2 . HIS B 1 27 ? -6.837 -0.222 -1.445 1.00 0.00 ? 27 HIS B HB2 18 ATOM 25286 H HB3 . HIS B 1 27 ? -8.360 -0.625 -0.659 1.00 0.00 ? 27 HIS B HB3 18 ATOM 25287 H HD1 . HIS B 1 27 ? -9.258 -3.119 -1.144 1.00 0.00 ? 27 HIS B HD1 18 ATOM 25288 H HD2 . HIS B 1 27 ? -5.288 -2.366 -2.113 1.00 0.00 ? 27 HIS B HD2 18 ATOM 25289 H HE1 . HIS B 1 27 ? -8.181 -5.381 -1.373 1.00 0.00 ? 27 HIS B HE1 18 ATOM 25290 H HE2 . HIS B 1 27 ? -5.779 -4.902 -1.960 1.00 0.00 ? 27 HIS B HE2 18 ATOM 25291 N N . LYS B 1 28 ? -8.830 2.120 -2.659 1.00 0.00 ? 28 LYS B N 18 ATOM 25292 C CA . LYS B 1 28 ? -9.532 3.361 -2.357 1.00 0.00 ? 28 LYS B CA 18 ATOM 25293 C C . LYS B 1 28 ? -10.661 3.603 -3.351 1.00 0.00 ? 28 LYS B C 18 ATOM 25294 O O . LYS B 1 28 ? -11.656 4.250 -3.028 1.00 0.00 ? 28 LYS B O 18 ATOM 25295 C CB . LYS B 1 28 ? -8.558 4.540 -2.377 1.00 0.00 ? 28 LYS B CB 18 ATOM 25296 C CG . LYS B 1 28 ? -9.214 5.877 -2.074 1.00 0.00 ? 28 LYS B CG 18 ATOM 25297 C CD . LYS B 1 28 ? -8.261 7.034 -2.326 1.00 0.00 ? 28 LYS B CD 18 ATOM 25298 C CE . LYS B 1 28 ? -8.672 7.838 -3.550 1.00 0.00 ? 28 LYS B CE 18 ATOM 25299 N NZ . LYS B 1 28 ? -7.882 9.093 -3.680 1.00 0.00 ? 28 LYS B NZ 18 ATOM 25300 H H . LYS B 1 28 ? -7.941 2.164 -3.066 1.00 0.00 ? 28 LYS B H 18 ATOM 25301 H HA . LYS B 1 28 ? -9.953 3.269 -1.369 1.00 0.00 ? 28 LYS B HA 18 ATOM 25302 H HB2 . LYS B 1 28 ? -7.786 4.367 -1.643 1.00 0.00 ? 28 LYS B HB2 18 ATOM 25303 H HB3 . LYS B 1 28 ? -8.104 4.601 -3.355 1.00 0.00 ? 28 LYS B HB3 18 ATOM 25304 H HG2 . LYS B 1 28 ? -10.081 5.993 -2.708 1.00 0.00 ? 28 LYS B HG2 18 ATOM 25305 H HG3 . LYS B 1 28 ? -9.519 5.891 -1.038 1.00 0.00 ? 28 LYS B HG3 18 ATOM 25306 H HD2 . LYS B 1 28 ? -8.263 7.683 -1.464 1.00 0.00 ? 28 LYS B HD2 18 ATOM 25307 H HD3 . LYS B 1 28 ? -7.267 6.641 -2.482 1.00 0.00 ? 28 LYS B HD3 18 ATOM 25308 H HE2 . LYS B 1 28 ? -8.517 7.232 -4.431 1.00 0.00 ? 28 LYS B HE2 18 ATOM 25309 H HE3 . LYS B 1 28 ? -9.719 8.088 -3.464 1.00 0.00 ? 28 LYS B HE3 18 ATOM 25310 H HZ1 . LYS B 1 28 ? -6.867 8.873 -3.724 1.00 0.00 ? 28 LYS B HZ1 18 ATOM 25311 H HZ2 . LYS B 1 28 ? -8.155 9.598 -4.548 1.00 0.00 ? 28 LYS B HZ2 18 ATOM 25312 H HZ3 . LYS B 1 28 ? -8.055 9.711 -2.863 1.00 0.00 ? 28 LYS B HZ3 18 ATOM 25313 N N . GLN B 1 29 ? -10.500 3.081 -4.562 1.00 0.00 ? 29 GLN B N 18 ATOM 25314 C CA . GLN B 1 29 ? -11.510 3.242 -5.599 1.00 0.00 ? 29 GLN B CA 18 ATOM 25315 C C . GLN B 1 29 ? -12.686 2.306 -5.352 1.00 0.00 ? 29 GLN B C 18 ATOM 25316 O O . GLN B 1 29 ? -13.838 2.659 -5.610 1.00 0.00 ? 29 GLN B O 18 ATOM 25317 C CB . GLN B 1 29 ? -10.906 2.971 -6.979 1.00 0.00 ? 29 GLN B CB 18 ATOM 25318 C CG . GLN B 1 29 ? -11.762 3.481 -8.127 1.00 0.00 ? 29 GLN B CG 18 ATOM 25319 C CD . GLN B 1 29 ? -11.186 4.725 -8.775 1.00 0.00 ? 29 GLN B CD 18 ATOM 25320 O OE1 . GLN B 1 29 ? -10.562 4.656 -9.833 1.00 0.00 ? 29 GLN B OE1 18 ATOM 25321 N NE2 . GLN B 1 29 ? -11.394 5.873 -8.140 1.00 0.00 ? 29 GLN B NE2 18 ATOM 25322 H H . GLN B 1 29 ? -9.686 2.575 -4.761 1.00 0.00 ? 29 GLN B H 18 ATOM 25323 H HA . GLN B 1 29 ? -11.863 4.261 -5.562 1.00 0.00 ? 29 GLN B HA 18 ATOM 25324 H HB2 . GLN B 1 29 ? -9.941 3.453 -7.036 1.00 0.00 ? 29 GLN B HB2 18 ATOM 25325 H HB3 . GLN B 1 29 ? -10.776 1.907 -7.099 1.00 0.00 ? 29 GLN B HB3 18 ATOM 25326 H HG2 . GLN B 1 29 ? -11.837 2.706 -8.875 1.00 0.00 ? 29 GLN B HG2 18 ATOM 25327 H HG3 . GLN B 1 29 ? -12.747 3.713 -7.750 1.00 0.00 ? 29 GLN B HG3 18 ATOM 25328 H HE21 . GLN B 1 29 ? -11.899 5.853 -7.301 1.00 0.00 ? 29 GLN B HE21 18 ATOM 25329 H HE22 . GLN B 1 29 ? -11.032 6.693 -8.537 1.00 0.00 ? 29 GLN B HE22 18 ATOM 25330 N N . SER B 1 30 ? -12.389 1.114 -4.847 1.00 0.00 ? 30 SER B N 18 ATOM 25331 C CA . SER B 1 30 ? -13.426 0.128 -4.562 1.00 0.00 ? 30 SER B CA 18 ATOM 25332 C C . SER B 1 30 ? -14.238 0.531 -3.333 1.00 0.00 ? 30 SER B C 18 ATOM 25333 O O . SER B 1 30 ? -15.459 0.379 -3.307 1.00 0.00 ? 30 SER B O 18 ATOM 25334 C CB . SER B 1 30 ? -12.802 -1.251 -4.344 1.00 0.00 ? 30 SER B CB 18 ATOM 25335 O OG . SER B 1 30 ? -13.745 -2.159 -3.801 1.00 0.00 ? 30 SER B OG 18 ATOM 25336 H H . SER B 1 30 ? -11.451 0.891 -4.662 1.00 0.00 ? 30 SER B H 18 ATOM 25337 H HA . SER B 1 30 ? -14.086 0.085 -5.415 1.00 0.00 ? 30 SER B HA 18 ATOM 25338 H HB2 . SER B 1 30 ? -12.451 -1.639 -5.289 1.00 0.00 ? 30 SER B HB2 18 ATOM 25339 H HB3 . SER B 1 30 ? -11.971 -1.163 -3.661 1.00 0.00 ? 30 SER B HB3 18 ATOM 25340 H HG . SER B 1 30 ? -13.335 -3.020 -3.692 1.00 0.00 ? 30 SER B HG 18 ATOM 25341 N N . ILE B 1 31 ? -13.549 1.041 -2.317 1.00 0.00 ? 31 ILE B N 18 ATOM 25342 C CA . ILE B 1 31 ? -14.203 1.463 -1.083 1.00 0.00 ? 31 ILE B CA 18 ATOM 25343 C C . ILE B 1 31 ? -14.947 2.781 -1.273 1.00 0.00 ? 31 ILE B C 18 ATOM 25344 O O . ILE B 1 31 ? -15.970 3.024 -0.632 1.00 0.00 ? 31 ILE B O 18 ATOM 25345 C CB . ILE B 1 31 ? -13.172 1.602 0.060 1.00 0.00 ? 31 ILE B CB 18 ATOM 25346 C CG1 . ILE B 1 31 ? -13.813 2.146 1.337 1.00 0.00 ? 31 ILE B CG1 18 ATOM 25347 C CG2 . ILE B 1 31 ? -12.024 2.502 -0.368 1.00 0.00 ? 31 ILE B CG2 18 ATOM 25348 C CD1 . ILE B 1 31 ? -14.584 1.109 2.115 1.00 0.00 ? 31 ILE B CD1 18 ATOM 25349 H H . ILE B 1 31 ? -12.576 1.134 -2.396 1.00 0.00 ? 31 ILE B H 18 ATOM 25350 H HA . ILE B 1 31 ? -14.916 0.699 -0.807 1.00 0.00 ? 31 ILE B HA 18 ATOM 25351 H HB . ILE B 1 31 ? -12.771 0.618 0.260 1.00 0.00 ? 31 ILE B HB 18 ATOM 25352 H HG12 . ILE B 1 31 ? -13.035 2.526 1.983 1.00 0.00 ? 31 ILE B HG12 18 ATOM 25353 H HG13 . ILE B 1 31 ? -14.491 2.949 1.088 1.00 0.00 ? 31 ILE B HG13 18 ATOM 25354 H HG21 . ILE B 1 31 ? -12.113 2.729 -1.419 1.00 0.00 ? 31 ILE B HG21 18 ATOM 25355 H HG22 . ILE B 1 31 ? -12.056 3.420 0.200 1.00 0.00 ? 31 ILE B HG22 18 ATOM 25356 H HG23 . ILE B 1 31 ? -11.085 2.001 -0.185 1.00 0.00 ? 31 ILE B HG23 18 ATOM 25357 H HD11 . ILE B 1 31 ? -15.043 0.412 1.430 1.00 0.00 ? 31 ILE B HD11 18 ATOM 25358 H HD12 . ILE B 1 31 ? -13.908 0.577 2.769 1.00 0.00 ? 31 ILE B HD12 18 ATOM 25359 H HD13 . ILE B 1 31 ? -15.349 1.594 2.704 1.00 0.00 ? 31 ILE B HD13 18 ATOM 25360 N N . LYS B 1 32 ? -14.434 3.625 -2.159 1.00 0.00 ? 32 LYS B N 18 ATOM 25361 C CA . LYS B 1 32 ? -15.059 4.914 -2.428 1.00 0.00 ? 32 LYS B CA 18 ATOM 25362 C C . LYS B 1 32 ? -16.204 4.765 -3.425 1.00 0.00 ? 32 LYS B C 18 ATOM 25363 O O . LYS B 1 32 ? -17.113 5.596 -3.468 1.00 0.00 ? 32 LYS B O 18 ATOM 25364 C CB . LYS B 1 32 ? -14.024 5.904 -2.966 1.00 0.00 ? 32 LYS B CB 18 ATOM 25365 C CG . LYS B 1 32 ? -14.546 7.328 -3.073 1.00 0.00 ? 32 LYS B CG 18 ATOM 25366 C CD . LYS B 1 32 ? -13.762 8.277 -2.181 1.00 0.00 ? 32 LYS B CD 18 ATOM 25367 C CE . LYS B 1 32 ? -14.444 8.468 -0.837 1.00 0.00 ? 32 LYS B CE 18 ATOM 25368 N NZ . LYS B 1 32 ? -13.729 9.461 0.013 1.00 0.00 ? 32 LYS B NZ 18 ATOM 25369 H H . LYS B 1 32 ? -13.619 3.377 -2.643 1.00 0.00 ? 32 LYS B H 18 ATOM 25370 H HA . LYS B 1 32 ? -15.455 5.290 -1.497 1.00 0.00 ? 32 LYS B HA 18 ATOM 25371 H HB2 . LYS B 1 32 ? -13.168 5.906 -2.306 1.00 0.00 ? 32 LYS B HB2 18 ATOM 25372 H HB3 . LYS B 1 32 ? -13.712 5.583 -3.947 1.00 0.00 ? 32 LYS B HB3 18 ATOM 25373 H HG2 . LYS B 1 32 ? -14.457 7.658 -4.097 1.00 0.00 ? 32 LYS B HG2 18 ATOM 25374 H HG3 . LYS B 1 32 ? -15.584 7.345 -2.777 1.00 0.00 ? 32 LYS B HG3 18 ATOM 25375 H HD2 . LYS B 1 32 ? -12.775 7.870 -2.019 1.00 0.00 ? 32 LYS B HD2 18 ATOM 25376 H HD3 . LYS B 1 32 ? -13.682 9.235 -2.673 1.00 0.00 ? 32 LYS B HD3 18 ATOM 25377 H HE2 . LYS B 1 32 ? -15.454 8.812 -1.004 1.00 0.00 ? 32 LYS B HE2 18 ATOM 25378 H HE3 . LYS B 1 32 ? -14.468 7.518 -0.321 1.00 0.00 ? 32 LYS B HE3 18 ATOM 25379 H HZ1 . LYS B 1 32 ? -12.731 9.522 -0.272 1.00 0.00 ? 32 LYS B HZ1 18 ATOM 25380 H HZ2 . LYS B 1 32 ? -14.166 10.399 -0.092 1.00 0.00 ? 32 LYS B HZ2 18 ATOM 25381 H HZ3 . LYS B 1 32 ? -13.778 9.178 1.012 1.00 0.00 ? 32 LYS B HZ3 18 ATOM 25382 N N . LYS B 1 33 ? -16.156 3.705 -4.225 1.00 0.00 ? 33 LYS B N 18 ATOM 25383 C CA . LYS B 1 33 ? -17.190 3.457 -5.222 1.00 0.00 ? 33 LYS B CA 18 ATOM 25384 C C . LYS B 1 33 ? -18.382 2.729 -4.615 1.00 0.00 ? 33 LYS B C 18 ATOM 25385 O O . LYS B 1 33 ? -19.520 2.926 -5.044 1.00 0.00 ? 33 LYS B O 18 ATOM 25386 C CB . LYS B 1 33 ? -16.622 2.646 -6.389 1.00 0.00 ? 33 LYS B CB 18 ATOM 25387 C CG . LYS B 1 33 ? -17.656 2.305 -7.451 1.00 0.00 ? 33 LYS B CG 18 ATOM 25388 C CD . LYS B 1 33 ? -17.015 1.646 -8.662 1.00 0.00 ? 33 LYS B CD 18 ATOM 25389 C CE . LYS B 1 33 ? -17.942 1.675 -9.865 1.00 0.00 ? 33 LYS B CE 18 ATOM 25390 N NZ . LYS B 1 33 ? -17.667 0.555 -10.806 1.00 0.00 ? 33 LYS B NZ 18 ATOM 25391 H H . LYS B 1 33 ? -15.407 3.077 -4.147 1.00 0.00 ? 33 LYS B H 18 ATOM 25392 H HA . LYS B 1 33 ? -17.523 4.415 -5.592 1.00 0.00 ? 33 LYS B HA 18 ATOM 25393 H HB2 . LYS B 1 33 ? -15.832 3.214 -6.856 1.00 0.00 ? 33 LYS B HB2 18 ATOM 25394 H HB3 . LYS B 1 33 ? -16.213 1.724 -6.006 1.00 0.00 ? 33 LYS B HB3 18 ATOM 25395 H HG2 . LYS B 1 33 ? -18.382 1.628 -7.027 1.00 0.00 ? 33 LYS B HG2 18 ATOM 25396 H HG3 . LYS B 1 33 ? -18.148 3.214 -7.764 1.00 0.00 ? 33 LYS B HG3 18 ATOM 25397 H HD2 . LYS B 1 33 ? -16.105 2.174 -8.907 1.00 0.00 ? 33 LYS B HD2 18 ATOM 25398 H HD3 . LYS B 1 33 ? -16.785 0.619 -8.420 1.00 0.00 ? 33 LYS B HD3 18 ATOM 25399 H HE2 . LYS B 1 33 ? -18.962 1.601 -9.521 1.00 0.00 ? 33 LYS B HE2 18 ATOM 25400 H HE3 . LYS B 1 33 ? -17.806 2.613 -10.385 1.00 0.00 ? 33 LYS B HE3 18 ATOM 25401 H HZ1 . LYS B 1 33 ? -17.771 -0.358 -10.316 1.00 0.00 ? 33 LYS B HZ1 18 ATOM 25402 H HZ2 . LYS B 1 33 ? -18.334 0.584 -11.604 1.00 0.00 ? 33 LYS B HZ2 18 ATOM 25403 H HZ3 . LYS B 1 33 ? -16.698 0.628 -11.177 1.00 0.00 ? 33 LYS B HZ3 18 ATOM 25404 N N . LEU B 1 34 ? -18.128 1.893 -3.613 1.00 0.00 ? 34 LEU B N 18 ATOM 25405 C CA . LEU B 1 34 ? -19.198 1.154 -2.962 1.00 0.00 ? 34 LEU B CA 18 ATOM 25406 C C . LEU B 1 34 ? -19.803 1.985 -1.839 1.00 0.00 ? 34 LEU B C 18 ATOM 25407 O O . LEU B 1 34 ? -20.976 1.828 -1.497 1.00 0.00 ? 34 LEU B O 18 ATOM 25408 C CB . LEU B 1 34 ? -18.677 -0.175 -2.418 1.00 0.00 ? 34 LEU B CB 18 ATOM 25409 C CG . LEU B 1 34 ? -18.150 -1.147 -3.475 1.00 0.00 ? 34 LEU B CG 18 ATOM 25410 C CD1 . LEU B 1 34 ? -17.060 -2.031 -2.889 1.00 0.00 ? 34 LEU B CD1 18 ATOM 25411 C CD2 . LEU B 1 34 ? -19.285 -1.995 -4.029 1.00 0.00 ? 34 LEU B CD2 18 ATOM 25412 H H . LEU B 1 34 ? -17.204 1.774 -3.301 1.00 0.00 ? 34 LEU B H 18 ATOM 25413 H HA . LEU B 1 34 ? -19.962 0.958 -3.700 1.00 0.00 ? 34 LEU B HA 18 ATOM 25414 H HB2 . LEU B 1 34 ? -17.881 0.034 -1.720 1.00 0.00 ? 34 LEU B HB2 18 ATOM 25415 H HB3 . LEU B 1 34 ? -19.482 -0.661 -1.887 1.00 0.00 ? 34 LEU B HB3 18 ATOM 25416 H HG . LEU B 1 34 ? -17.721 -0.584 -4.291 1.00 0.00 ? 34 LEU B HG 18 ATOM 25417 H HD11 . LEU B 1 34 ? -16.423 -1.439 -2.250 1.00 0.00 ? 34 LEU B HD11 18 ATOM 25418 H HD12 . LEU B 1 34 ? -17.512 -2.825 -2.312 1.00 0.00 ? 34 LEU B HD12 18 ATOM 25419 H HD13 . LEU B 1 34 ? -16.474 -2.456 -3.690 1.00 0.00 ? 34 LEU B HD13 18 ATOM 25420 H HD21 . LEU B 1 34 ? -20.066 -1.350 -4.406 1.00 0.00 ? 34 LEU B HD21 18 ATOM 25421 H HD22 . LEU B 1 34 ? -18.911 -2.615 -4.830 1.00 0.00 ? 34 LEU B HD22 18 ATOM 25422 H HD23 . LEU B 1 34 ? -19.683 -2.621 -3.243 1.00 0.00 ? 34 LEU B HD23 18 ATOM 25423 N N . LYS B 1 35 ? -18.997 2.879 -1.275 1.00 0.00 ? 35 LYS B N 18 ATOM 25424 C CA . LYS B 1 35 ? -19.456 3.746 -0.200 1.00 0.00 ? 35 LYS B CA 18 ATOM 25425 C C . LYS B 1 35 ? -20.173 4.964 -0.769 1.00 0.00 ? 35 LYS B C 18 ATOM 25426 O O . LYS B 1 35 ? -21.070 5.521 -0.135 1.00 0.00 ? 35 LYS B O 18 ATOM 25427 C CB . LYS B 1 35 ? -18.277 4.188 0.670 1.00 0.00 ? 35 LYS B CB 18 ATOM 25428 C CG . LYS B 1 35 ? -18.695 4.791 2.001 1.00 0.00 ? 35 LYS B CG 18 ATOM 25429 C CD . LYS B 1 35 ? -18.543 6.303 2.001 1.00 0.00 ? 35 LYS B CD 18 ATOM 25430 C CE . LYS B 1 35 ? -19.872 6.996 1.751 1.00 0.00 ? 35 LYS B CE 18 ATOM 25431 N NZ . LYS B 1 35 ? -19.999 8.256 2.534 1.00 0.00 ? 35 LYS B NZ 18 ATOM 25432 H H . LYS B 1 35 ? -18.075 2.963 -1.596 1.00 0.00 ? 35 LYS B H 18 ATOM 25433 H HA . LYS B 1 35 ? -20.151 3.184 0.406 1.00 0.00 ? 35 LYS B HA 18 ATOM 25434 H HB2 . LYS B 1 35 ? -17.649 3.332 0.867 1.00 0.00 ? 35 LYS B HB2 18 ATOM 25435 H HB3 . LYS B 1 35 ? -17.704 4.927 0.129 1.00 0.00 ? 35 LYS B HB3 18 ATOM 25436 H HG2 . LYS B 1 35 ? -19.729 4.544 2.189 1.00 0.00 ? 35 LYS B HG2 18 ATOM 25437 H HG3 . LYS B 1 35 ? -18.077 4.375 2.784 1.00 0.00 ? 35 LYS B HG3 18 ATOM 25438 H HD2 . LYS B 1 35 ? -18.159 6.616 2.960 1.00 0.00 ? 35 LYS B HD2 18 ATOM 25439 H HD3 . LYS B 1 35 ? -17.848 6.584 1.223 1.00 0.00 ? 35 LYS B HD3 18 ATOM 25440 H HE2 . LYS B 1 35 ? -19.951 7.227 0.699 1.00 0.00 ? 35 LYS B HE2 18 ATOM 25441 H HE3 . LYS B 1 35 ? -20.671 6.326 2.032 1.00 0.00 ? 35 LYS B HE3 18 ATOM 25442 H HZ1 . LYS B 1 35 ? -19.056 8.616 2.787 1.00 0.00 ? 35 LYS B HZ1 18 ATOM 25443 H HZ2 . LYS B 1 35 ? -20.496 8.977 1.973 1.00 0.00 ? 35 LYS B HZ2 18 ATOM 25444 H HZ3 . LYS B 1 35 ? -20.536 8.082 3.408 1.00 0.00 ? 35 LYS B HZ3 18 ATOM 25445 N N . GLN B 1 36 ? -19.776 5.369 -1.972 1.00 0.00 ? 36 GLN B N 18 ATOM 25446 C CA . GLN B 1 36 ? -20.388 6.516 -2.628 1.00 0.00 ? 36 GLN B CA 18 ATOM 25447 C C . GLN B 1 36 ? -21.635 6.092 -3.394 1.00 0.00 ? 36 GLN B C 18 ATOM 25448 O O . GLN B 1 36 ? -22.585 6.862 -3.533 1.00 0.00 ? 36 GLN B O 18 ATOM 25449 C CB . GLN B 1 36 ? -19.392 7.184 -3.578 1.00 0.00 ? 36 GLN B CB 18 ATOM 25450 C CG . GLN B 1 36 ? -19.994 8.313 -4.397 1.00 0.00 ? 36 GLN B CG 18 ATOM 25451 C CD . GLN B 1 36 ? -20.621 9.389 -3.533 1.00 0.00 ? 36 GLN B CD 18 ATOM 25452 O OE1 . GLN B 1 36 ? -21.554 9.126 -2.774 1.00 0.00 ? 36 GLN B OE1 18 ATOM 25453 N NE2 . GLN B 1 36 ? -20.110 10.609 -3.644 1.00 0.00 ? 36 GLN B NE2 18 ATOM 25454 H H . GLN B 1 36 ? -19.058 4.881 -2.432 1.00 0.00 ? 36 GLN B H 18 ATOM 25455 H HA . GLN B 1 36 ? -20.674 7.223 -1.863 1.00 0.00 ? 36 GLN B HA 18 ATOM 25456 H HB2 . GLN B 1 36 ? -18.573 7.585 -2.998 1.00 0.00 ? 36 GLN B HB2 18 ATOM 25457 H HB3 . GLN B 1 36 ? -19.007 6.438 -4.259 1.00 0.00 ? 36 GLN B HB3 18 ATOM 25458 H HG2 . GLN B 1 36 ? -19.215 8.761 -4.995 1.00 0.00 ? 36 GLN B HG2 18 ATOM 25459 H HG3 . GLN B 1 36 ? -20.754 7.904 -5.047 1.00 0.00 ? 36 GLN B HG3 18 ATOM 25460 H HE21 . GLN B 1 36 ? -19.367 10.745 -4.270 1.00 0.00 ? 36 GLN B HE21 18 ATOM 25461 H HE22 . GLN B 1 36 ? -20.496 11.325 -3.097 1.00 0.00 ? 36 GLN B HE22 18 ATOM 25462 N N . SER B 1 37 ? -21.626 4.857 -3.885 1.00 0.00 ? 37 SER B N 18 ATOM 25463 C CA . SER B 1 37 ? -22.758 4.324 -4.633 1.00 0.00 ? 37 SER B CA 18 ATOM 25464 C C . SER B 1 37 ? -23.802 3.741 -3.687 1.00 0.00 ? 37 SER B C 18 ATOM 25465 O O . SER B 1 37 ? -24.985 3.673 -4.018 1.00 0.00 ? 37 SER B O 18 ATOM 25466 C CB . SER B 1 37 ? -22.289 3.252 -5.619 1.00 0.00 ? 37 SER B CB 18 ATOM 25467 O OG . SER B 1 37 ? -21.507 3.819 -6.656 1.00 0.00 ? 37 SER B OG 18 ATOM 25468 H H . SER B 1 37 ? -20.841 4.290 -3.739 1.00 0.00 ? 37 SER B H 18 ATOM 25469 H HA . SER B 1 37 ? -23.205 5.138 -5.184 1.00 0.00 ? 37 SER B HA 18 ATOM 25470 H HB2 . SER B 1 37 ? -21.692 2.521 -5.095 1.00 0.00 ? 37 SER B HB2 18 ATOM 25471 H HB3 . SER B 1 37 ? -23.149 2.767 -6.057 1.00 0.00 ? 37 SER B HB3 18 ATOM 25472 H HG . SER B 1 37 ? -21.020 4.573 -6.317 1.00 0.00 ? 37 SER B HG 18 ATOM 25473 N N . GLU B 1 38 ? -23.355 3.322 -2.506 1.00 0.00 ? 38 GLU B N 18 ATOM 25474 C CA . GLU B 1 38 ? -24.254 2.749 -1.511 1.00 0.00 ? 38 GLU B CA 18 ATOM 25475 C C . GLU B 1 38 ? -24.864 3.842 -0.638 1.00 0.00 ? 38 GLU B C 18 ATOM 25476 O O . GLU B 1 38 ? -25.941 3.666 -0.070 1.00 0.00 ? 38 GLU B O 18 ATOM 25477 C CB . GLU B 1 38 ? -23.508 1.739 -0.638 1.00 0.00 ? 38 GLU B CB 18 ATOM 25478 C CG . GLU B 1 38 ? -24.413 0.965 0.306 1.00 0.00 ? 38 GLU B CG 18 ATOM 25479 C CD . GLU B 1 38 ? -24.161 1.300 1.763 1.00 0.00 ? 38 GLU B CD 18 ATOM 25480 O OE1 . GLU B 1 38 ? -23.054 1.788 2.077 1.00 0.00 ? 38 GLU B OE1 18 ATOM 25481 O OE2 . GLU B 1 38 ? -25.069 1.076 2.590 1.00 0.00 ? 38 GLU B OE2 18 ATOM 25482 H H . GLU B 1 38 ? -22.401 3.404 -2.296 1.00 0.00 ? 38 GLU B H 18 ATOM 25483 H HA . GLU B 1 38 ? -25.048 2.239 -2.037 1.00 0.00 ? 38 GLU B HA 18 ATOM 25484 H HB2 . GLU B 1 38 ? -23.002 1.031 -1.278 1.00 0.00 ? 38 GLU B HB2 18 ATOM 25485 H HB3 . GLU B 1 38 ? -22.773 2.264 -0.046 1.00 0.00 ? 38 GLU B HB3 18 ATOM 25486 H HG2 . GLU B 1 38 ? -25.441 1.200 0.072 1.00 0.00 ? 38 GLU B HG2 18 ATOM 25487 H HG3 . GLU B 1 38 ? -24.246 -0.092 0.161 1.00 0.00 ? 38 GLU B HG3 18 ATOM 25488 N N . ASP B 1 39 ? -24.168 4.971 -0.538 1.00 0.00 ? 39 ASP B N 18 ATOM 25489 C CA . ASP B 1 39 ? -24.643 6.092 0.264 1.00 0.00 ? 39 ASP B CA 18 ATOM 25490 C C . ASP B 1 39 ? -25.538 7.011 -0.564 1.00 0.00 ? 39 ASP B C 18 ATOM 25491 O O . ASP B 1 39 ? -26.388 7.717 -0.024 1.00 0.00 ? 39 ASP B O 18 ATOM 25492 C CB . ASP B 1 39 ? -23.460 6.883 0.827 1.00 0.00 ? 39 ASP B CB 18 ATOM 25493 C CG . ASP B 1 39 ? -23.896 8.127 1.576 1.00 0.00 ? 39 ASP B CG 18 ATOM 25494 O OD1 . ASP B 1 39 ? -24.256 9.122 0.914 1.00 0.00 ? 39 ASP B OD1 18 ATOM 25495 O OD2 . ASP B 1 39 ? -23.877 8.105 2.825 1.00 0.00 ? 39 ASP B OD2 18 ATOM 25496 H H . ASP B 1 39 ? -23.315 5.054 -1.015 1.00 0.00 ? 39 ASP B H 18 ATOM 25497 H HA . ASP B 1 39 ? -25.221 5.692 1.084 1.00 0.00 ? 39 ASP B HA 18 ATOM 25498 H HB2 . ASP B 1 39 ? -22.906 6.252 1.506 1.00 0.00 ? 39 ASP B HB2 18 ATOM 25499 H HB3 . ASP B 1 39 ? -22.815 7.182 0.014 1.00 0.00 ? 39 ASP B HB3 18 ATOM 25500 N N . ASP B 1 40 ? -25.338 6.996 -1.879 1.00 0.00 ? 40 ASP B N 18 ATOM 25501 C CA . ASP B 1 40 ? -26.126 7.828 -2.780 1.00 0.00 ? 40 ASP B CA 18 ATOM 25502 C C . ASP B 1 40 ? -26.428 7.088 -4.079 1.00 0.00 ? 40 ASP B C 18 ATOM 25503 O O . ASP B 1 40 ? -26.166 7.596 -5.170 1.00 0.00 ? 40 ASP B O 18 ATOM 25504 C CB . ASP B 1 40 ? -25.385 9.131 -3.082 1.00 0.00 ? 40 ASP B CB 18 ATOM 25505 C CG . ASP B 1 40 ? -26.323 10.247 -3.500 1.00 0.00 ? 40 ASP B CG 18 ATOM 25506 O OD1 . ASP B 1 40 ? -26.893 10.158 -4.608 1.00 0.00 ? 40 ASP B OD1 18 ATOM 25507 O OD2 . ASP B 1 40 ? -26.488 11.208 -2.720 1.00 0.00 ? 40 ASP B OD2 18 ATOM 25508 H H . ASP B 1 40 ? -24.644 6.412 -2.251 1.00 0.00 ? 40 ASP B H 18 ATOM 25509 H HA . ASP B 1 40 ? -27.057 8.060 -2.287 1.00 0.00 ? 40 ASP B HA 18 ATOM 25510 H HB2 . ASP B 1 40 ? -24.852 9.448 -2.198 1.00 0.00 ? 40 ASP B HB2 18 ATOM 25511 H HB3 . ASP B 1 40 ? -24.680 8.961 -3.881 1.00 0.00 ? 40 ASP B HB3 18 ATOM 25512 N N . ASP B 1 41 ? -26.980 5.886 -3.956 1.00 0.00 ? 41 ASP B N 18 ATOM 25513 C CA . ASP B 1 41 ? -27.317 5.077 -5.121 1.00 0.00 ? 41 ASP B CA 18 ATOM 25514 C C . ASP B 1 41 ? -28.501 5.675 -5.874 1.00 0.00 ? 41 ASP B C 18 ATOM 25515 O O . ASP B 1 41 ? -29.546 5.919 -5.235 1.00 0.00 ? 41 ASP B O 18 ATOM 25516 C CB . ASP B 1 41 ? -27.642 3.643 -4.694 1.00 0.00 ? 41 ASP B CB 18 ATOM 25517 C CG . ASP B 1 41 ? -27.103 2.616 -5.671 1.00 0.00 ? 41 ASP B CG 18 ATOM 25518 O OD1 . ASP B 1 41 ? -26.122 2.926 -6.379 1.00 0.00 ? 41 ASP B OD1 18 ATOM 25519 O OD2 . ASP B 1 41 ? -27.661 1.500 -5.726 1.00 0.00 ? 41 ASP B OD2 18 ATOM 25520 O OXT . ASP B 1 41 ? -28.372 5.895 -7.097 1.00 0.00 ? 41 ASP B OXT 18 ATOM 25521 H H . ASP B 1 41 ? -27.165 5.535 -3.059 1.00 0.00 ? 41 ASP B H 18 ATOM 25522 H HA . ASP B 1 41 ? -26.459 5.063 -5.775 1.00 0.00 ? 41 ASP B HA 18 ATOM 25523 H HB2 . ASP B 1 41 ? -27.205 3.455 -3.726 1.00 0.00 ? 41 ASP B HB2 18 ATOM 25524 H HB3 . ASP B 1 41 ? -28.713 3.526 -4.631 1.00 0.00 ? 41 ASP B HB3 18 ATOM 25525 N N . ALA A 1 1 ? -26.030 5.233 7.828 1.00 0.00 ? 1 ALA A N 19 ATOM 25526 C CA . ALA A 1 1 ? -27.489 5.334 8.087 1.00 0.00 ? 1 ALA A CA 19 ATOM 25527 C C . ALA A 1 1 ? -28.270 4.367 7.205 1.00 0.00 ? 1 ALA A C 19 ATOM 25528 O O . ALA A 1 1 ? -28.209 4.442 5.977 1.00 0.00 ? 1 ALA A O 19 ATOM 25529 C CB . ALA A 1 1 ? -27.967 6.760 7.857 1.00 0.00 ? 1 ALA A CB 19 ATOM 25530 H H1 . ALA A 1 1 ? -25.889 5.262 6.797 1.00 0.00 ? 1 ALA A H1 19 ATOM 25531 H H2 . ALA A 1 1 ? -25.568 6.038 8.294 1.00 0.00 ? 1 ALA A H2 19 ATOM 25532 H H3 . ALA A 1 1 ? -25.699 4.331 8.226 1.00 0.00 ? 1 ALA A H3 19 ATOM 25533 H HA . ALA A 1 1 ? -27.669 5.084 9.123 1.00 0.00 ? 1 ALA A HA 19 ATOM 25534 H HB1 . ALA A 1 1 ? -28.697 7.021 8.609 1.00 0.00 ? 1 ALA A HB1 19 ATOM 25535 H HB2 . ALA A 1 1 ? -27.127 7.436 7.921 1.00 0.00 ? 1 ALA A HB2 19 ATOM 25536 H HB3 . ALA A 1 1 ? -28.416 6.836 6.878 1.00 0.00 ? 1 ALA A HB3 19 ATOM 25537 N N . LEU A 1 2 ? -29.006 3.459 7.838 1.00 0.00 ? 2 LEU A N 19 ATOM 25538 C CA . LEU A 1 2 ? -29.801 2.476 7.110 1.00 0.00 ? 2 LEU A CA 19 ATOM 25539 C C . LEU A 1 2 ? -28.927 1.672 6.153 1.00 0.00 ? 2 LEU A C 19 ATOM 25540 O O . LEU A 1 2 ? -27.784 2.041 5.883 1.00 0.00 ? 2 LEU A O 19 ATOM 25541 C CB . LEU A 1 2 ? -30.922 3.169 6.335 1.00 0.00 ? 2 LEU A CB 19 ATOM 25542 C CG . LEU A 1 2 ? -31.750 4.166 7.148 1.00 0.00 ? 2 LEU A CG 19 ATOM 25543 C CD1 . LEU A 1 2 ? -32.137 3.569 8.492 1.00 0.00 ? 2 LEU A CD1 19 ATOM 25544 C CD2 . LEU A 1 2 ? -30.980 5.464 7.341 1.00 0.00 ? 2 LEU A CD2 19 ATOM 25545 H H . LEU A 1 2 ? -29.015 3.450 8.818 1.00 0.00 ? 2 LEU A H 19 ATOM 25546 H HA . LEU A 1 2 ? -30.237 1.802 7.832 1.00 0.00 ? 2 LEU A HA 19 ATOM 25547 H HB2 . LEU A 1 2 ? -30.483 3.694 5.499 1.00 0.00 ? 2 LEU A HB2 19 ATOM 25548 H HB3 . LEU A 1 2 ? -31.589 2.411 5.952 1.00 0.00 ? 2 LEU A HB3 19 ATOM 25549 H HG . LEU A 1 2 ? -32.659 4.393 6.609 1.00 0.00 ? 2 LEU A HG 19 ATOM 25550 H HD11 . LEU A 1 2 ? -32.214 2.495 8.400 1.00 0.00 ? 2 LEU A HD11 19 ATOM 25551 H HD12 . LEU A 1 2 ? -31.383 3.814 9.225 1.00 0.00 ? 2 LEU A HD12 19 ATOM 25552 H HD13 . LEU A 1 2 ? -33.089 3.973 8.805 1.00 0.00 ? 2 LEU A HD13 19 ATOM 25553 H HD21 . LEU A 1 2 ? -30.390 5.667 6.460 1.00 0.00 ? 2 LEU A HD21 19 ATOM 25554 H HD22 . LEU A 1 2 ? -31.675 6.275 7.503 1.00 0.00 ? 2 LEU A HD22 19 ATOM 25555 H HD23 . LEU A 1 2 ? -30.328 5.371 8.198 1.00 0.00 ? 2 LEU A HD23 19 ATOM 25556 N N . LYS A 1 3 ? -29.474 0.575 5.641 1.00 0.00 ? 3 LYS A N 19 ATOM 25557 C CA . LYS A 1 3 ? -28.743 -0.280 4.712 1.00 0.00 ? 3 LYS A CA 19 ATOM 25558 C C . LYS A 1 3 ? -27.382 -0.665 5.283 1.00 0.00 ? 3 LYS A C 19 ATOM 25559 O O . LYS A 1 3 ? -26.431 0.115 5.227 1.00 0.00 ? 3 LYS A O 19 ATOM 25560 C CB . LYS A 1 3 ? -28.563 0.429 3.369 1.00 0.00 ? 3 LYS A CB 19 ATOM 25561 C CG . LYS A 1 3 ? -28.600 -0.510 2.174 1.00 0.00 ? 3 LYS A CG 19 ATOM 25562 C CD . LYS A 1 3 ? -29.318 0.120 0.993 1.00 0.00 ? 3 LYS A CD 19 ATOM 25563 C CE . LYS A 1 3 ? -28.670 1.431 0.580 1.00 0.00 ? 3 LYS A CE 19 ATOM 25564 N NZ . LYS A 1 3 ? -29.626 2.328 -0.123 1.00 0.00 ? 3 LYS A NZ 19 ATOM 25565 H H . LYS A 1 3 ? -30.389 0.334 5.892 1.00 0.00 ? 3 LYS A H 19 ATOM 25566 H HA . LYS A 1 3 ? -29.323 -1.177 4.560 1.00 0.00 ? 3 LYS A HA 19 ATOM 25567 H HB2 . LYS A 1 3 ? -29.352 1.157 3.251 1.00 0.00 ? 3 LYS A HB2 19 ATOM 25568 H HB3 . LYS A 1 3 ? -27.611 0.939 3.369 1.00 0.00 ? 3 LYS A HB3 19 ATOM 25569 H HG2 . LYS A 1 3 ? -27.587 -0.747 1.883 1.00 0.00 ? 3 LYS A HG2 19 ATOM 25570 H HG3 . LYS A 1 3 ? -29.115 -1.416 2.457 1.00 0.00 ? 3 LYS A HG3 19 ATOM 25571 H HD2 . LYS A 1 3 ? -29.286 -0.564 0.157 1.00 0.00 ? 3 LYS A HD2 19 ATOM 25572 H HD3 . LYS A 1 3 ? -30.346 0.307 1.268 1.00 0.00 ? 3 LYS A HD3 19 ATOM 25573 H HE2 . LYS A 1 3 ? -28.306 1.932 1.466 1.00 0.00 ? 3 LYS A HE2 19 ATOM 25574 H HE3 . LYS A 1 3 ? -27.840 1.216 -0.077 1.00 0.00 ? 3 LYS A HE3 19 ATOM 25575 H HZ1 . LYS A 1 3 ? -30.326 1.763 -0.647 1.00 0.00 ? 3 LYS A HZ1 19 ATOM 25576 H HZ2 . LYS A 1 3 ? -30.126 2.927 0.564 1.00 0.00 ? 3 LYS A HZ2 19 ATOM 25577 H HZ3 . LYS A 1 3 ? -29.118 2.938 -0.794 1.00 0.00 ? 3 LYS A HZ3 19 ATOM 25578 N N . LYS A 1 4 ? -27.295 -1.871 5.833 1.00 0.00 ? 4 LYS A N 19 ATOM 25579 C CA . LYS A 1 4 ? -26.048 -2.357 6.413 1.00 0.00 ? 4 LYS A CA 19 ATOM 25580 C C . LYS A 1 4 ? -25.402 -3.414 5.523 1.00 0.00 ? 4 LYS A C 19 ATOM 25581 O O . LYS A 1 4 ? -24.602 -4.225 5.989 1.00 0.00 ? 4 LYS A O 19 ATOM 25582 C CB . LYS A 1 4 ? -26.301 -2.933 7.808 1.00 0.00 ? 4 LYS A CB 19 ATOM 25583 C CG . LYS A 1 4 ? -27.621 -3.678 7.927 1.00 0.00 ? 4 LYS A CG 19 ATOM 25584 C CD . LYS A 1 4 ? -27.833 -4.213 9.335 1.00 0.00 ? 4 LYS A CD 19 ATOM 25585 C CE . LYS A 1 4 ? -28.637 -3.241 10.185 1.00 0.00 ? 4 LYS A CE 19 ATOM 25586 N NZ . LYS A 1 4 ? -29.864 -2.772 9.483 1.00 0.00 ? 4 LYS A NZ 19 ATOM 25587 H H . LYS A 1 4 ? -28.087 -2.448 5.848 1.00 0.00 ? 4 LYS A H 19 ATOM 25588 H HA . LYS A 1 4 ? -25.376 -1.517 6.499 1.00 0.00 ? 4 LYS A HA 19 ATOM 25589 H HB2 . LYS A 1 4 ? -25.502 -3.618 8.052 1.00 0.00 ? 4 LYS A HB2 19 ATOM 25590 H HB3 . LYS A 1 4 ? -26.303 -2.125 8.524 1.00 0.00 ? 4 LYS A HB3 19 ATOM 25591 H HG2 . LYS A 1 4 ? -28.428 -3.004 7.685 1.00 0.00 ? 4 LYS A HG2 19 ATOM 25592 H HG3 . LYS A 1 4 ? -27.620 -4.506 7.233 1.00 0.00 ? 4 LYS A HG3 19 ATOM 25593 H HD2 . LYS A 1 4 ? -28.366 -5.150 9.278 1.00 0.00 ? 4 LYS A HD2 19 ATOM 25594 H HD3 . LYS A 1 4 ? -26.870 -4.372 9.798 1.00 0.00 ? 4 LYS A HD3 19 ATOM 25595 H HE2 . LYS A 1 4 ? -28.924 -3.736 11.100 1.00 0.00 ? 4 LYS A HE2 19 ATOM 25596 H HE3 . LYS A 1 4 ? -28.015 -2.388 10.417 1.00 0.00 ? 4 LYS A HE3 19 ATOM 25597 H HZ1 . LYS A 1 4 ? -30.275 -3.550 8.927 1.00 0.00 ? 4 LYS A HZ1 19 ATOM 25598 H HZ2 . LYS A 1 4 ? -30.567 -2.444 10.173 1.00 0.00 ? 4 LYS A HZ2 19 ATOM 25599 H HZ3 . LYS A 1 4 ? -29.631 -1.987 8.842 1.00 0.00 ? 4 LYS A HZ3 19 ATOM 25600 N N . HIS A 1 5 ? -25.749 -3.397 4.241 1.00 0.00 ? 5 HIS A N 19 ATOM 25601 C CA . HIS A 1 5 ? -25.196 -4.352 3.288 1.00 0.00 ? 5 HIS A CA 19 ATOM 25602 C C . HIS A 1 5 ? -23.943 -3.784 2.631 1.00 0.00 ? 5 HIS A C 19 ATOM 25603 O O . HIS A 1 5 ? -22.851 -4.341 2.758 1.00 0.00 ? 5 HIS A O 19 ATOM 25604 C CB . HIS A 1 5 ? -26.234 -4.702 2.221 1.00 0.00 ? 5 HIS A CB 19 ATOM 25605 C CG . HIS A 1 5 ? -27.622 -4.846 2.762 1.00 0.00 ? 5 HIS A CG 19 ATOM 25606 N ND1 . HIS A 1 5 ? -28.297 -6.049 2.794 1.00 0.00 ? 5 HIS A ND1 19 ATOM 25607 C CD2 . HIS A 1 5 ? -28.465 -3.931 3.296 1.00 0.00 ? 5 HIS A CD2 19 ATOM 25608 C CE1 . HIS A 1 5 ? -29.494 -5.867 3.323 1.00 0.00 ? 5 HIS A CE1 19 ATOM 25609 N NE2 . HIS A 1 5 ? -29.620 -4.591 3.636 1.00 0.00 ? 5 HIS A NE2 19 ATOM 25610 H H . HIS A 1 5 ? -26.388 -2.725 3.925 1.00 0.00 ? 5 HIS A H 19 ATOM 25611 H HA . HIS A 1 5 ? -24.930 -5.247 3.830 1.00 0.00 ? 5 HIS A HA 19 ATOM 25612 H HB2 . HIS A 1 5 ? -26.249 -3.923 1.473 1.00 0.00 ? 5 HIS A HB2 19 ATOM 25613 H HB3 . HIS A 1 5 ? -25.959 -5.637 1.754 1.00 0.00 ? 5 HIS A HB3 19 ATOM 25614 H HD1 . HIS A 1 5 ? -27.950 -6.909 2.475 1.00 0.00 ? 5 HIS A HD1 19 ATOM 25615 H HD2 . HIS A 1 5 ? -28.266 -2.877 3.430 1.00 0.00 ? 5 HIS A HD2 19 ATOM 25616 H HE1 . HIS A 1 5 ? -30.242 -6.632 3.474 1.00 0.00 ? 5 HIS A HE1 19 ATOM 25617 H HE2 . HIS A 1 5 ? -30.412 -4.184 4.046 1.00 0.00 ? 5 HIS A HE2 19 ATOM 25618 N N . HIS A 1 6 ? -24.107 -2.665 1.931 1.00 0.00 ? 6 HIS A N 19 ATOM 25619 C CA . HIS A 1 6 ? -22.987 -2.019 1.262 1.00 0.00 ? 6 HIS A CA 19 ATOM 25620 C C . HIS A 1 6 ? -21.955 -1.555 2.284 1.00 0.00 ? 6 HIS A C 19 ATOM 25621 O O . HIS A 1 6 ? -20.757 -1.569 2.014 1.00 0.00 ? 6 HIS A O 19 ATOM 25622 C CB . HIS A 1 6 ? -23.477 -0.841 0.414 1.00 0.00 ? 6 HIS A CB 19 ATOM 25623 C CG . HIS A 1 6 ? -23.855 0.369 1.212 1.00 0.00 ? 6 HIS A CG 19 ATOM 25624 N ND1 . HIS A 1 6 ? -24.628 0.307 2.352 1.00 0.00 ? 6 HIS A ND1 19 ATOM 25625 C CD2 . HIS A 1 6 ? -23.560 1.678 1.030 1.00 0.00 ? 6 HIS A CD2 19 ATOM 25626 C CE1 . HIS A 1 6 ? -24.793 1.526 2.835 1.00 0.00 ? 6 HIS A CE1 19 ATOM 25627 N NE2 . HIS A 1 6 ? -24.154 2.374 2.052 1.00 0.00 ? 6 HIS A NE2 19 ATOM 25628 H H . HIS A 1 6 ? -24.999 -2.264 1.870 1.00 0.00 ? 6 HIS A H 19 ATOM 25629 H HA . HIS A 1 6 ? -22.527 -2.750 0.615 1.00 0.00 ? 6 HIS A HA 19 ATOM 25630 H HB2 . HIS A 1 6 ? -22.694 -0.553 -0.272 1.00 0.00 ? 6 HIS A HB2 19 ATOM 25631 H HB3 . HIS A 1 6 ? -24.344 -1.151 -0.150 1.00 0.00 ? 6 HIS A HB3 19 ATOM 25632 H HD1 . HIS A 1 6 ? -25.001 -0.508 2.747 1.00 0.00 ? 6 HIS A HD1 19 ATOM 25633 H HD2 . HIS A 1 6 ? -22.967 2.096 0.228 1.00 0.00 ? 6 HIS A HD2 19 ATOM 25634 H HE1 . HIS A 1 6 ? -25.353 1.783 3.721 1.00 0.00 ? 6 HIS A HE1 19 ATOM 25635 H HE2 . HIS A 1 6 ? -24.114 3.345 2.181 1.00 0.00 ? 6 HIS A HE2 19 ATOM 25636 N N . GLU A 1 7 ? -22.429 -1.157 3.462 1.00 0.00 ? 7 GLU A N 19 ATOM 25637 C CA . GLU A 1 7 ? -21.547 -0.708 4.530 1.00 0.00 ? 7 GLU A CA 19 ATOM 25638 C C . GLU A 1 7 ? -20.692 -1.868 5.026 1.00 0.00 ? 7 GLU A C 19 ATOM 25639 O O . GLU A 1 7 ? -19.579 -1.669 5.509 1.00 0.00 ? 7 GLU A O 19 ATOM 25640 C CB . GLU A 1 7 ? -22.364 -0.125 5.685 1.00 0.00 ? 7 GLU A CB 19 ATOM 25641 C CG . GLU A 1 7 ? -22.332 1.394 5.748 1.00 0.00 ? 7 GLU A CG 19 ATOM 25642 C CD . GLU A 1 7 ? -21.447 1.912 6.864 1.00 0.00 ? 7 GLU A CD 19 ATOM 25643 O OE1 . GLU A 1 7 ? -20.229 2.064 6.634 1.00 0.00 ? 7 GLU A OE1 19 ATOM 25644 O OE2 . GLU A 1 7 ? -21.971 2.166 7.969 1.00 0.00 ? 7 GLU A OE2 19 ATOM 25645 H H . GLU A 1 7 ? -23.392 -1.176 3.619 1.00 0.00 ? 7 GLU A H 19 ATOM 25646 H HA . GLU A 1 7 ? -20.902 0.059 4.130 1.00 0.00 ? 7 GLU A HA 19 ATOM 25647 H HB2 . GLU A 1 7 ? -23.391 -0.438 5.579 1.00 0.00 ? 7 GLU A HB2 19 ATOM 25648 H HB3 . GLU A 1 7 ? -21.974 -0.511 6.615 1.00 0.00 ? 7 GLU A HB3 19 ATOM 25649 H HG2 . GLU A 1 7 ? -21.957 1.772 4.808 1.00 0.00 ? 7 GLU A HG2 19 ATOM 25650 H HG3 . GLU A 1 7 ? -23.336 1.755 5.907 1.00 0.00 ? 7 GLU A HG3 19 ATOM 25651 N N . ASN A 1 8 ? -21.221 -3.082 4.888 1.00 0.00 ? 8 ASN A N 19 ATOM 25652 C CA . ASN A 1 8 ? -20.503 -4.281 5.307 1.00 0.00 ? 8 ASN A CA 19 ATOM 25653 C C . ASN A 1 8 ? -19.308 -4.515 4.392 1.00 0.00 ? 8 ASN A C 19 ATOM 25654 O O . ASN A 1 8 ? -18.160 -4.519 4.838 1.00 0.00 ? 8 ASN A O 19 ATOM 25655 C CB . ASN A 1 8 ? -21.430 -5.497 5.282 1.00 0.00 ? 8 ASN A CB 19 ATOM 25656 C CG . ASN A 1 8 ? -21.894 -5.899 6.669 1.00 0.00 ? 8 ASN A CG 19 ATOM 25657 O OD1 . ASN A 1 8 ? -21.172 -5.727 7.651 1.00 0.00 ? 8 ASN A OD1 19 ATOM 25658 N ND2 . ASN A 1 8 ? -23.104 -6.438 6.756 1.00 0.00 ? 8 ASN A ND2 19 ATOM 25659 H H . ASN A 1 8 ? -22.109 -3.175 4.487 1.00 0.00 ? 8 ASN A H 19 ATOM 25660 H HA . ASN A 1 8 ? -20.148 -4.123 6.314 1.00 0.00 ? 8 ASN A HA 19 ATOM 25661 H HB2 . ASN A 1 8 ? -22.301 -5.266 4.685 1.00 0.00 ? 8 ASN A HB2 19 ATOM 25662 H HB3 . ASN A 1 8 ? -20.907 -6.332 4.841 1.00 0.00 ? 8 ASN A HB3 19 ATOM 25663 H HD21 . ASN A 1 8 ? -23.623 -6.545 5.931 1.00 0.00 ? 8 ASN A HD21 19 ATOM 25664 H HD22 . ASN A 1 8 ? -23.429 -6.707 7.640 1.00 0.00 ? 8 ASN A HD22 19 ATOM 25665 N N . GLU A 1 9 ? -19.585 -4.684 3.103 1.00 0.00 ? 9 GLU A N 19 ATOM 25666 C CA . GLU A 1 9 ? -18.527 -4.889 2.122 1.00 0.00 ? 9 GLU A CA 19 ATOM 25667 C C . GLU A 1 9 ? -17.638 -3.647 2.036 1.00 0.00 ? 9 GLU A C 19 ATOM 25668 O O . GLU A 1 9 ? -16.513 -3.707 1.539 1.00 0.00 ? 9 GLU A O 19 ATOM 25669 C CB . GLU A 1 9 ? -19.125 -5.202 0.749 1.00 0.00 ? 9 GLU A CB 19 ATOM 25670 C CG . GLU A 1 9 ? -18.091 -5.276 -0.362 1.00 0.00 ? 9 GLU A CG 19 ATOM 25671 C CD . GLU A 1 9 ? -18.262 -6.503 -1.237 1.00 0.00 ? 9 GLU A CD 19 ATOM 25672 O OE1 . GLU A 1 9 ? -19.396 -6.747 -1.701 1.00 0.00 ? 9 GLU A OE1 19 ATOM 25673 O OE2 . GLU A 1 9 ? -17.263 -7.219 -1.459 1.00 0.00 ? 9 GLU A OE2 19 ATOM 25674 H H . GLU A 1 9 ? -20.521 -4.650 2.803 1.00 0.00 ? 9 GLU A H 19 ATOM 25675 H HA . GLU A 1 9 ? -17.927 -5.726 2.447 1.00 0.00 ? 9 GLU A HA 19 ATOM 25676 H HB2 . GLU A 1 9 ? -19.636 -6.152 0.801 1.00 0.00 ? 9 GLU A HB2 19 ATOM 25677 H HB3 . GLU A 1 9 ? -19.839 -4.432 0.496 1.00 0.00 ? 9 GLU A HB3 19 ATOM 25678 H HG2 . GLU A 1 9 ? -18.182 -4.396 -0.981 1.00 0.00 ? 9 GLU A HG2 19 ATOM 25679 H HG3 . GLU A 1 9 ? -17.106 -5.303 0.081 1.00 0.00 ? 9 GLU A HG3 19 ATOM 25680 N N . ILE A 1 10 ? -18.155 -2.522 2.532 1.00 0.00 ? 10 ILE A N 19 ATOM 25681 C CA . ILE A 1 10 ? -17.429 -1.262 2.528 1.00 0.00 ? 10 ILE A CA 19 ATOM 25682 C C . ILE A 1 10 ? -16.452 -1.220 3.707 1.00 0.00 ? 10 ILE A C 19 ATOM 25683 O O . ILE A 1 10 ? -15.398 -0.591 3.630 1.00 0.00 ? 10 ILE A O 19 ATOM 25684 C CB . ILE A 1 10 ? -18.435 -0.070 2.570 1.00 0.00 ? 10 ILE A CB 19 ATOM 25685 C CG1 . ILE A 1 10 ? -18.882 0.282 1.151 1.00 0.00 ? 10 ILE A CG1 19 ATOM 25686 C CG2 . ILE A 1 10 ? -17.875 1.174 3.259 1.00 0.00 ? 10 ILE A CG2 19 ATOM 25687 C CD1 . ILE A 1 10 ? -19.895 1.405 1.102 1.00 0.00 ? 10 ILE A CD1 19 ATOM 25688 H H . ILE A 1 10 ? -19.053 -2.542 2.918 1.00 0.00 ? 10 ILE A H 19 ATOM 25689 H HA . ILE A 1 10 ? -16.866 -1.205 1.607 1.00 0.00 ? 10 ILE A HA 19 ATOM 25690 H HB . ILE A 1 10 ? -19.298 -0.390 3.129 1.00 0.00 ? 10 ILE A HB 19 ATOM 25691 H HG12 . ILE A 1 10 ? -18.021 0.587 0.575 1.00 0.00 ? 10 ILE A HG12 19 ATOM 25692 H HG13 . ILE A 1 10 ? -19.327 -0.589 0.693 1.00 0.00 ? 10 ILE A HG13 19 ATOM 25693 H HG21 . ILE A 1 10 ? -16.798 1.127 3.281 1.00 0.00 ? 10 ILE A HG21 19 ATOM 25694 H HG22 . ILE A 1 10 ? -18.186 2.053 2.714 1.00 0.00 ? 10 ILE A HG22 19 ATOM 25695 H HG23 . ILE A 1 10 ? -18.257 1.223 4.268 1.00 0.00 ? 10 ILE A HG23 19 ATOM 25696 H HD11 . ILE A 1 10 ? -19.602 2.184 1.790 1.00 0.00 ? 10 ILE A HD11 19 ATOM 25697 H HD12 . ILE A 1 10 ? -19.939 1.806 0.101 1.00 0.00 ? 10 ILE A HD12 19 ATOM 25698 H HD13 . ILE A 1 10 ? -20.866 1.026 1.382 1.00 0.00 ? 10 ILE A HD13 19 ATOM 25699 N N . SER A 1 11 ? -16.808 -1.903 4.788 1.00 0.00 ? 11 SER A N 19 ATOM 25700 C CA . SER A 1 11 ? -15.959 -1.950 5.970 1.00 0.00 ? 11 SER A CA 19 ATOM 25701 C C . SER A 1 11 ? -14.755 -2.848 5.715 1.00 0.00 ? 11 SER A C 19 ATOM 25702 O O . SER A 1 11 ? -13.647 -2.569 6.175 1.00 0.00 ? 11 SER A O 19 ATOM 25703 C CB . SER A 1 11 ? -16.749 -2.460 7.177 1.00 0.00 ? 11 SER A CB 19 ATOM 25704 O OG . SER A 1 11 ? -16.128 -2.081 8.394 1.00 0.00 ? 11 SER A OG 19 ATOM 25705 H H . SER A 1 11 ? -17.655 -2.393 4.788 1.00 0.00 ? 11 SER A H 19 ATOM 25706 H HA . SER A 1 11 ? -15.611 -0.948 6.171 1.00 0.00 ? 11 SER A HA 19 ATOM 25707 H HB2 . SER A 1 11 ? -17.746 -2.046 7.152 1.00 0.00 ? 11 SER A HB2 19 ATOM 25708 H HB3 . SER A 1 11 ? -16.807 -3.538 7.137 1.00 0.00 ? 11 SER A HB3 19 ATOM 25709 H HG . SER A 1 11 ? -15.177 -2.042 8.271 1.00 0.00 ? 11 SER A HG 19 ATOM 25710 N N . HIS A 1 12 ? -14.980 -3.922 4.965 1.00 0.00 ? 12 HIS A N 19 ATOM 25711 C CA . HIS A 1 12 ? -13.916 -4.856 4.637 1.00 0.00 ? 12 HIS A CA 19 ATOM 25712 C C . HIS A 1 12 ? -12.925 -4.197 3.671 1.00 0.00 ? 12 HIS A C 19 ATOM 25713 O O . HIS A 1 12 ? -11.713 -4.232 3.891 1.00 0.00 ? 12 HIS A O 19 ATOM 25714 C CB . HIS A 1 12 ? -14.528 -6.160 4.070 1.00 0.00 ? 12 HIS A CB 19 ATOM 25715 C CG . HIS A 1 12 ? -13.863 -6.716 2.843 1.00 0.00 ? 12 HIS A CG 19 ATOM 25716 N ND1 . HIS A 1 12 ? -12.807 -7.602 2.889 1.00 0.00 ? 12 HIS A ND1 19 ATOM 25717 C CD2 . HIS A 1 12 ? -14.120 -6.506 1.534 1.00 0.00 ? 12 HIS A CD2 19 ATOM 25718 C CE1 . HIS A 1 12 ? -12.442 -7.912 1.657 1.00 0.00 ? 12 HIS A CE1 19 ATOM 25719 N NE2 . HIS A 1 12 ? -13.225 -7.261 0.817 1.00 0.00 ? 12 HIS A NE2 19 ATOM 25720 H H . HIS A 1 12 ? -15.883 -4.085 4.619 1.00 0.00 ? 12 HIS A H 19 ATOM 25721 H HA . HIS A 1 12 ? -13.393 -5.088 5.554 1.00 0.00 ? 12 HIS A HA 19 ATOM 25722 H HB2 . HIS A 1 12 ? -14.483 -6.921 4.833 1.00 0.00 ? 12 HIS A HB2 19 ATOM 25723 H HB3 . HIS A 1 12 ? -15.565 -5.974 3.827 1.00 0.00 ? 12 HIS A HB3 19 ATOM 25724 H HD1 . HIS A 1 12 ? -12.387 -7.950 3.703 1.00 0.00 ? 12 HIS A HD1 19 ATOM 25725 H HD2 . HIS A 1 12 ? -14.889 -5.863 1.129 1.00 0.00 ? 12 HIS A HD2 19 ATOM 25726 H HE1 . HIS A 1 12 ? -11.643 -8.585 1.386 1.00 0.00 ? 12 HIS A HE1 19 ATOM 25727 H HE2 . HIS A 1 12 ? -13.171 -7.310 -0.160 1.00 0.00 ? 12 HIS A HE2 19 ATOM 25728 N N . HIS A 1 13 ? -13.446 -3.584 2.610 1.00 0.00 ? 13 HIS A N 19 ATOM 25729 C CA . HIS A 1 13 ? -12.594 -2.913 1.638 1.00 0.00 ? 13 HIS A CA 19 ATOM 25730 C C . HIS A 1 13 ? -11.779 -1.821 2.315 1.00 0.00 ? 13 HIS A C 19 ATOM 25731 O O . HIS A 1 13 ? -10.647 -1.549 1.925 1.00 0.00 ? 13 HIS A O 19 ATOM 25732 C CB . HIS A 1 13 ? -13.419 -2.300 0.510 1.00 0.00 ? 13 HIS A CB 19 ATOM 25733 C CG . HIS A 1 13 ? -14.220 -3.286 -0.272 1.00 0.00 ? 13 HIS A CG 19 ATOM 25734 N ND1 . HIS A 1 13 ? -13.839 -4.597 -0.463 1.00 0.00 ? 13 HIS A ND1 19 ATOM 25735 C CD2 . HIS A 1 13 ? -15.390 -3.135 -0.928 1.00 0.00 ? 13 HIS A CD2 19 ATOM 25736 C CE1 . HIS A 1 13 ? -14.744 -5.211 -1.206 1.00 0.00 ? 13 HIS A CE1 19 ATOM 25737 N NE2 . HIS A 1 13 ? -15.695 -4.346 -1.501 1.00 0.00 ? 13 HIS A NE2 19 ATOM 25738 H H . HIS A 1 13 ? -14.420 -3.573 2.485 1.00 0.00 ? 13 HIS A H 19 ATOM 25739 H HA . HIS A 1 13 ? -11.919 -3.648 1.224 1.00 0.00 ? 13 HIS A HA 19 ATOM 25740 H HB2 . HIS A 1 13 ? -14.103 -1.577 0.927 1.00 0.00 ? 13 HIS A HB2 19 ATOM 25741 H HB3 . HIS A 1 13 ? -12.752 -1.800 -0.176 1.00 0.00 ? 13 HIS A HB3 19 ATOM 25742 H HD1 . HIS A 1 13 ? -13.027 -5.016 -0.108 1.00 0.00 ? 13 HIS A HD1 19 ATOM 25743 H HD2 . HIS A 1 13 ? -15.972 -2.227 -0.992 1.00 0.00 ? 13 HIS A HD2 19 ATOM 25744 H HE1 . HIS A 1 13 ? -14.710 -6.245 -1.519 1.00 0.00 ? 13 HIS A HE1 19 ATOM 25745 H HE2 . HIS A 1 13 ? -16.489 -4.538 -2.043 1.00 0.00 ? 13 HIS A HE2 19 ATOM 25746 N N . ALA A 1 14 ? -12.365 -1.196 3.333 1.00 0.00 ? 14 ALA A N 19 ATOM 25747 C CA . ALA A 1 14 ? -11.687 -0.133 4.062 1.00 0.00 ? 14 ALA A CA 19 ATOM 25748 C C . ALA A 1 14 ? -10.444 -0.673 4.749 1.00 0.00 ? 14 ALA A C 19 ATOM 25749 O O . ALA A 1 14 ? -9.371 -0.077 4.675 1.00 0.00 ? 14 ALA A O 19 ATOM 25750 C CB . ALA A 1 14 ? -12.627 0.504 5.075 1.00 0.00 ? 14 ALA A CB 19 ATOM 25751 H H . ALA A 1 14 ? -13.272 -1.456 3.599 1.00 0.00 ? 14 ALA A H 19 ATOM 25752 H HA . ALA A 1 14 ? -11.389 0.623 3.350 1.00 0.00 ? 14 ALA A HA 19 ATOM 25753 H HB1 . ALA A 1 14 ? -13.556 -0.045 5.098 1.00 0.00 ? 14 ALA A HB1 19 ATOM 25754 H HB2 . ALA A 1 14 ? -12.820 1.528 4.793 1.00 0.00 ? 14 ALA A HB2 19 ATOM 25755 H HB3 . ALA A 1 14 ? -12.170 0.481 6.054 1.00 0.00 ? 14 ALA A HB3 19 ATOM 25756 N N . LYS A 1 15 ? -10.590 -1.817 5.404 1.00 0.00 ? 15 LYS A N 19 ATOM 25757 C CA . LYS A 1 15 ? -9.469 -2.446 6.081 1.00 0.00 ? 15 LYS A CA 19 ATOM 25758 C C . LYS A 1 15 ? -8.469 -2.988 5.062 1.00 0.00 ? 15 LYS A C 19 ATOM 25759 O O . LYS A 1 15 ? -7.326 -3.288 5.402 1.00 0.00 ? 15 LYS A O 19 ATOM 25760 C CB . LYS A 1 15 ? -9.957 -3.574 6.992 1.00 0.00 ? 15 LYS A CB 19 ATOM 25761 C CG . LYS A 1 15 ? -10.526 -4.764 6.236 1.00 0.00 ? 15 LYS A CG 19 ATOM 25762 C CD . LYS A 1 15 ? -10.225 -6.072 6.951 1.00 0.00 ? 15 LYS A CD 19 ATOM 25763 C CE . LYS A 1 15 ? -11.423 -7.009 6.926 1.00 0.00 ? 15 LYS A CE 19 ATOM 25764 N NZ . LYS A 1 15 ? -11.321 -8.068 7.967 1.00 0.00 ? 15 LYS A NZ 19 ATOM 25765 H H . LYS A 1 15 ? -11.469 -2.255 5.417 1.00 0.00 ? 15 LYS A H 19 ATOM 25766 H HA . LYS A 1 15 ? -8.980 -1.693 6.681 1.00 0.00 ? 15 LYS A HA 19 ATOM 25767 H HB2 . LYS A 1 15 ? -9.128 -3.920 7.593 1.00 0.00 ? 15 LYS A HB2 19 ATOM 25768 H HB3 . LYS A 1 15 ? -10.726 -3.187 7.643 1.00 0.00 ? 15 LYS A HB3 19 ATOM 25769 H HG2 . LYS A 1 15 ? -11.597 -4.648 6.156 1.00 0.00 ? 15 LYS A HG2 19 ATOM 25770 H HG3 . LYS A 1 15 ? -10.090 -4.794 5.249 1.00 0.00 ? 15 LYS A HG3 19 ATOM 25771 H HD2 . LYS A 1 15 ? -9.393 -6.555 6.461 1.00 0.00 ? 15 LYS A HD2 19 ATOM 25772 H HD3 . LYS A 1 15 ? -9.967 -5.859 7.977 1.00 0.00 ? 15 LYS A HD3 19 ATOM 25773 H HE2 . LYS A 1 15 ? -12.318 -6.431 7.099 1.00 0.00 ? 15 LYS A HE2 19 ATOM 25774 H HE3 . LYS A 1 15 ? -11.478 -7.475 5.953 1.00 0.00 ? 15 LYS A HE3 19 ATOM 25775 H HZ1 . LYS A 1 15 ? -10.376 -8.502 7.945 1.00 0.00 ? 15 LYS A HZ1 19 ATOM 25776 H HZ2 . LYS A 1 15 ? -11.479 -7.659 8.910 1.00 0.00 ? 15 LYS A HZ2 19 ATOM 25777 H HZ3 . LYS A 1 15 ? -12.034 -8.806 7.796 1.00 0.00 ? 15 LYS A HZ3 19 ATOM 25778 N N . GLU A 1 16 ? -8.907 -3.117 3.806 1.00 0.00 ? 16 GLU A N 19 ATOM 25779 C CA . GLU A 1 16 ? -8.049 -3.628 2.745 1.00 0.00 ? 16 GLU A CA 19 ATOM 25780 C C . GLU A 1 16 ? -7.090 -2.554 2.234 1.00 0.00 ? 16 GLU A C 19 ATOM 25781 O O . GLU A 1 16 ? -5.906 -2.822 2.037 1.00 0.00 ? 16 GLU A O 19 ATOM 25782 C CB . GLU A 1 16 ? -8.895 -4.163 1.589 1.00 0.00 ? 16 GLU A CB 19 ATOM 25783 C CG . GLU A 1 16 ? -8.746 -5.660 1.369 1.00 0.00 ? 16 GLU A CG 19 ATOM 25784 C CD . GLU A 1 16 ? -10.041 -6.317 0.934 1.00 0.00 ? 16 GLU A CD 19 ATOM 25785 O OE1 . GLU A 1 16 ? -11.104 -5.673 1.057 1.00 0.00 ? 16 GLU A OE1 19 ATOM 25786 O OE2 . GLU A 1 16 ? -9.993 -7.476 0.470 1.00 0.00 ? 16 GLU A OE2 19 ATOM 25787 H H . GLU A 1 16 ? -9.830 -2.870 3.591 1.00 0.00 ? 16 GLU A H 19 ATOM 25788 H HA . GLU A 1 16 ? -7.467 -4.439 3.157 1.00 0.00 ? 16 GLU A HA 19 ATOM 25789 H HB2 . GLU A 1 16 ? -9.935 -3.954 1.792 1.00 0.00 ? 16 GLU A HB2 19 ATOM 25790 H HB3 . GLU A 1 16 ? -8.606 -3.657 0.680 1.00 0.00 ? 16 GLU A HB3 19 ATOM 25791 H HG2 . GLU A 1 16 ? -8.002 -5.826 0.603 1.00 0.00 ? 16 GLU A HG2 19 ATOM 25792 H HG3 . GLU A 1 16 ? -8.419 -6.116 2.291 1.00 0.00 ? 16 GLU A HG3 19 ATOM 25793 N N . ILE A 1 17 ? -7.595 -1.341 2.019 1.00 0.00 ? 17 ILE A N 19 ATOM 25794 C CA . ILE A 1 17 ? -6.754 -0.252 1.534 1.00 0.00 ? 17 ILE A CA 19 ATOM 25795 C C . ILE A 1 17 ? -5.885 0.297 2.661 1.00 0.00 ? 17 ILE A C 19 ATOM 25796 O O . ILE A 1 17 ? -4.769 0.764 2.429 1.00 0.00 ? 17 ILE A O 19 ATOM 25797 C CB . ILE A 1 17 ? -7.597 0.890 0.929 1.00 0.00 ? 17 ILE A CB 19 ATOM 25798 C CG1 . ILE A 1 17 ? -6.696 2.042 0.474 1.00 0.00 ? 17 ILE A CG1 19 ATOM 25799 C CG2 . ILE A 1 17 ? -8.630 1.375 1.936 1.00 0.00 ? 17 ILE A CG2 19 ATOM 25800 C CD1 . ILE A 1 17 ? -7.452 3.299 0.098 1.00 0.00 ? 17 ILE A CD1 19 ATOM 25801 H H . ILE A 1 17 ? -8.549 -1.172 2.192 1.00 0.00 ? 17 ILE A H 19 ATOM 25802 H HA . ILE A 1 17 ? -6.107 -0.646 0.760 1.00 0.00 ? 17 ILE A HA 19 ATOM 25803 H HB . ILE A 1 17 ? -8.127 0.498 0.074 1.00 0.00 ? 17 ILE A HB 19 ATOM 25804 H HG12 . ILE A 1 17 ? -6.014 2.294 1.272 1.00 0.00 ? 17 ILE A HG12 19 ATOM 25805 H HG13 . ILE A 1 17 ? -6.129 1.724 -0.389 1.00 0.00 ? 17 ILE A HG13 19 ATOM 25806 H HG21 . ILE A 1 17 ? -8.620 0.730 2.800 1.00 0.00 ? 17 ILE A HG21 19 ATOM 25807 H HG22 . ILE A 1 17 ? -8.393 2.385 2.236 1.00 0.00 ? 17 ILE A HG22 19 ATOM 25808 H HG23 . ILE A 1 17 ? -9.612 1.355 1.482 1.00 0.00 ? 17 ILE A HG23 19 ATOM 25809 H HD11 . ILE A 1 17 ? -8.386 3.028 -0.373 1.00 0.00 ? 17 ILE A HD11 19 ATOM 25810 H HD12 . ILE A 1 17 ? -7.651 3.879 0.986 1.00 0.00 ? 17 ILE A HD12 19 ATOM 25811 H HD13 . ILE A 1 17 ? -6.859 3.884 -0.591 1.00 0.00 ? 17 ILE A HD13 19 ATOM 25812 N N . GLU A 1 18 ? -6.401 0.226 3.883 1.00 0.00 ? 18 GLU A N 19 ATOM 25813 C CA . GLU A 1 18 ? -5.670 0.708 5.047 1.00 0.00 ? 18 GLU A CA 19 ATOM 25814 C C . GLU A 1 18 ? -4.633 -0.318 5.492 1.00 0.00 ? 18 GLU A C 19 ATOM 25815 O O . GLU A 1 18 ? -3.572 0.039 6.007 1.00 0.00 ? 18 GLU A O 19 ATOM 25816 C CB . GLU A 1 18 ? -6.635 1.007 6.196 1.00 0.00 ? 18 GLU A CB 19 ATOM 25817 C CG . GLU A 1 18 ? -5.940 1.430 7.480 1.00 0.00 ? 18 GLU A CG 19 ATOM 25818 C CD . GLU A 1 18 ? -5.724 0.272 8.434 1.00 0.00 ? 18 GLU A CD 19 ATOM 25819 O OE1 . GLU A 1 18 ? -5.679 -0.885 7.963 1.00 0.00 ? 18 GLU A OE1 19 ATOM 25820 O OE2 . GLU A 1 18 ? -5.599 0.521 9.651 1.00 0.00 ? 18 GLU A OE2 19 ATOM 25821 H H . GLU A 1 18 ? -7.291 -0.165 4.005 1.00 0.00 ? 18 GLU A H 19 ATOM 25822 H HA . GLU A 1 18 ? -5.161 1.618 4.767 1.00 0.00 ? 18 GLU A HA 19 ATOM 25823 H HB2 . GLU A 1 18 ? -7.301 1.802 5.893 1.00 0.00 ? 18 GLU A HB2 19 ATOM 25824 H HB3 . GLU A 1 18 ? -7.217 0.122 6.401 1.00 0.00 ? 18 GLU A HB3 19 ATOM 25825 H HG2 . GLU A 1 18 ? -4.980 1.855 7.231 1.00 0.00 ? 18 GLU A HG2 19 ATOM 25826 H HG3 . GLU A 1 18 ? -6.547 2.175 7.973 1.00 0.00 ? 18 GLU A HG3 19 ATOM 25827 N N . ARG A 1 19 ? -4.943 -1.595 5.285 1.00 0.00 ? 19 ARG A N 19 ATOM 25828 C CA . ARG A 1 19 ? -4.034 -2.668 5.663 1.00 0.00 ? 19 ARG A CA 19 ATOM 25829 C C . ARG A 1 19 ? -2.865 -2.752 4.692 1.00 0.00 ? 19 ARG A C 19 ATOM 25830 O O . ARG A 1 19 ? -1.722 -2.963 5.098 1.00 0.00 ? 19 ARG A O 19 ATOM 25831 C CB . ARG A 1 19 ? -4.772 -4.006 5.709 1.00 0.00 ? 19 ARG A CB 19 ATOM 25832 C CG . ARG A 1 19 ? -3.860 -5.197 5.954 1.00 0.00 ? 19 ARG A CG 19 ATOM 25833 C CD . ARG A 1 19 ? -4.622 -6.368 6.555 1.00 0.00 ? 19 ARG A CD 19 ATOM 25834 N NE . ARG A 1 19 ? -3.782 -7.554 6.691 1.00 0.00 ? 19 ARG A NE 19 ATOM 25835 C CZ . ARG A 1 19 ? -3.517 -8.387 5.690 1.00 0.00 ? 19 ARG A CZ 19 ATOM 25836 N NH1 . ARG A 1 19 ? -4.023 -8.163 4.485 1.00 0.00 ? 19 ARG A NH1 19 ATOM 25837 N NH2 . ARG A 1 19 ? -2.743 -9.446 5.893 1.00 0.00 ? 19 ARG A NH2 19 ATOM 25838 H H . ARG A 1 19 ? -5.802 -1.819 4.866 1.00 0.00 ? 19 ARG A H 19 ATOM 25839 H HA . ARG A 1 19 ? -3.650 -2.444 6.647 1.00 0.00 ? 19 ARG A HA 19 ATOM 25840 H HB2 . ARG A 1 19 ? -5.506 -3.972 6.501 1.00 0.00 ? 19 ARG A HB2 19 ATOM 25841 H HB3 . ARG A 1 19 ? -5.279 -4.157 4.767 1.00 0.00 ? 19 ARG A HB3 19 ATOM 25842 H HG2 . ARG A 1 19 ? -3.427 -5.507 5.015 1.00 0.00 ? 19 ARG A HG2 19 ATOM 25843 H HG3 . ARG A 1 19 ? -3.076 -4.902 6.635 1.00 0.00 ? 19 ARG A HG3 19 ATOM 25844 H HD2 . ARG A 1 19 ? -4.985 -6.082 7.530 1.00 0.00 ? 19 ARG A HD2 19 ATOM 25845 H HD3 . ARG A 1 19 ? -5.459 -6.603 5.914 1.00 0.00 ? 19 ARG A HD3 19 ATOM 25846 H HE . ARG A 1 19 ? -3.396 -7.739 7.573 1.00 0.00 ? 19 ARG A HE 19 ATOM 25847 H HH11 . ARG A 1 19 ? -4.607 -7.365 4.329 1.00 0.00 ? 19 ARG A HH11 19 ATOM 25848 H HH12 . ARG A 1 19 ? -3.823 -8.791 3.733 1.00 0.00 ? 19 ARG A HH12 19 ATOM 25849 H HH21 . ARG A 1 19 ? -2.359 -9.617 6.800 1.00 0.00 ? 19 ARG A HH21 19 ATOM 25850 H HH22 . ARG A 1 19 ? -2.545 -10.072 5.138 1.00 0.00 ? 19 ARG A HH22 19 ATOM 25851 N N . LEU A 1 20 ? -3.151 -2.575 3.405 1.00 0.00 ? 20 LEU A N 19 ATOM 25852 C CA . LEU A 1 20 ? -2.111 -2.624 2.393 1.00 0.00 ? 20 LEU A CA 19 ATOM 25853 C C . LEU A 1 20 ? -1.207 -1.407 2.520 1.00 0.00 ? 20 LEU A C 19 ATOM 25854 O O . LEU A 1 20 ? 0.002 -1.495 2.309 1.00 0.00 ? 20 LEU A O 19 ATOM 25855 C CB . LEU A 1 20 ? -2.724 -2.688 0.993 1.00 0.00 ? 20 LEU A CB 19 ATOM 25856 C CG . LEU A 1 20 ? -3.672 -3.864 0.756 1.00 0.00 ? 20 LEU A CG 19 ATOM 25857 C CD1 . LEU A 1 20 ? -4.732 -3.497 -0.271 1.00 0.00 ? 20 LEU A CD1 19 ATOM 25858 C CD2 . LEU A 1 20 ? -2.893 -5.092 0.304 1.00 0.00 ? 20 LEU A CD2 19 ATOM 25859 H H . LEU A 1 20 ? -4.079 -2.399 3.134 1.00 0.00 ? 20 LEU A H 19 ATOM 25860 H HA . LEU A 1 20 ? -1.524 -3.514 2.563 1.00 0.00 ? 20 LEU A HA 19 ATOM 25861 H HB2 . LEU A 1 20 ? -3.268 -1.772 0.819 1.00 0.00 ? 20 LEU A HB2 19 ATOM 25862 H HB3 . LEU A 1 20 ? -1.920 -2.752 0.276 1.00 0.00 ? 20 LEU A HB3 19 ATOM 25863 H HG . LEU A 1 20 ? -4.173 -4.108 1.681 1.00 0.00 ? 20 LEU A HG 19 ATOM 25864 H HD11 . LEU A 1 20 ? -4.871 -2.426 -0.278 1.00 0.00 ? 20 LEU A HD11 19 ATOM 25865 H HD12 . LEU A 1 20 ? -4.414 -3.825 -1.250 1.00 0.00 ? 20 LEU A HD12 19 ATOM 25866 H HD13 . LEU A 1 20 ? -5.663 -3.979 -0.015 1.00 0.00 ? 20 LEU A HD13 19 ATOM 25867 H HD21 . LEU A 1 20 ? -1.882 -4.806 0.057 1.00 0.00 ? 20 LEU A HD21 19 ATOM 25868 H HD22 . LEU A 1 20 ? -2.876 -5.820 1.101 1.00 0.00 ? 20 LEU A HD22 19 ATOM 25869 H HD23 . LEU A 1 20 ? -3.369 -5.520 -0.565 1.00 0.00 ? 20 LEU A HD23 19 ATOM 25870 N N . GLN A 1 21 ? -1.803 -0.272 2.871 1.00 0.00 ? 21 GLN A N 19 ATOM 25871 C CA . GLN A 1 21 ? -1.053 0.966 3.034 1.00 0.00 ? 21 GLN A CA 19 ATOM 25872 C C . GLN A 1 21 ? -0.025 0.829 4.151 1.00 0.00 ? 21 GLN A C 19 ATOM 25873 O O . GLN A 1 21 ? 1.118 1.261 4.011 1.00 0.00 ? 21 GLN A O 19 ATOM 25874 C CB . GLN A 1 21 ? -2.002 2.128 3.335 1.00 0.00 ? 21 GLN A CB 19 ATOM 25875 C CG . GLN A 1 21 ? -2.592 2.771 2.092 1.00 0.00 ? 21 GLN A CG 19 ATOM 25876 C CD . GLN A 1 21 ? -1.811 3.987 1.636 1.00 0.00 ? 21 GLN A CD 19 ATOM 25877 O OE1 . GLN A 1 21 ? -2.389 4.983 1.198 1.00 0.00 ? 21 GLN A OE1 19 ATOM 25878 N NE2 . GLN A 1 21 ? -0.489 3.913 1.737 1.00 0.00 ? 21 GLN A NE2 19 ATOM 25879 H H . GLN A 1 21 ? -2.772 -0.268 3.028 1.00 0.00 ? 21 GLN A H 19 ATOM 25880 H HA . GLN A 1 21 ? -0.536 1.165 2.107 1.00 0.00 ? 21 GLN A HA 19 ATOM 25881 H HB2 . GLN A 1 21 ? -2.814 1.765 3.948 1.00 0.00 ? 21 GLN A HB2 19 ATOM 25882 H HB3 . GLN A 1 21 ? -1.461 2.886 3.884 1.00 0.00 ? 21 GLN A HB3 19 ATOM 25883 H HG2 . GLN A 1 21 ? -2.594 2.044 1.293 1.00 0.00 ? 21 GLN A HG2 19 ATOM 25884 H HG3 . GLN A 1 21 ? -3.608 3.071 2.305 1.00 0.00 ? 21 GLN A HG3 19 ATOM 25885 H HE21 . GLN A 1 21 ? -0.097 3.089 2.095 1.00 0.00 ? 21 GLN A HE21 19 ATOM 25886 H HE22 . GLN A 1 21 ? 0.041 4.686 1.450 1.00 0.00 ? 21 GLN A HE22 19 ATOM 25887 N N . LYS A 1 22 ? -0.436 0.218 5.258 1.00 0.00 ? 22 LYS A N 19 ATOM 25888 C CA . LYS A 1 22 ? 0.458 0.021 6.393 1.00 0.00 ? 22 LYS A CA 19 ATOM 25889 C C . LYS A 1 22 ? 1.652 -0.839 5.990 1.00 0.00 ? 22 LYS A C 19 ATOM 25890 O O . LYS A 1 22 ? 2.797 -0.531 6.325 1.00 0.00 ? 22 LYS A O 19 ATOM 25891 C CB . LYS A 1 22 ? -0.292 -0.634 7.554 1.00 0.00 ? 22 LYS A CB 19 ATOM 25892 C CG . LYS A 1 22 ? 0.560 -0.821 8.798 1.00 0.00 ? 22 LYS A CG 19 ATOM 25893 C CD . LYS A 1 22 ? 0.139 -2.054 9.581 1.00 0.00 ? 22 LYS A CD 19 ATOM 25894 C CE . LYS A 1 22 ? 0.458 -3.331 8.822 1.00 0.00 ? 22 LYS A CE 19 ATOM 25895 N NZ . LYS A 1 22 ? 0.315 -4.538 9.681 1.00 0.00 ? 22 LYS A NZ 19 ATOM 25896 H H . LYS A 1 22 ? -1.361 -0.111 5.312 1.00 0.00 ? 22 LYS A H 19 ATOM 25897 H HA . LYS A 1 22 ? 0.815 0.991 6.705 1.00 0.00 ? 22 LYS A HA 19 ATOM 25898 H HB2 . LYS A 1 22 ? -1.140 -0.018 7.814 1.00 0.00 ? 22 LYS A HB2 19 ATOM 25899 H HB3 . LYS A 1 22 ? -0.646 -1.604 7.237 1.00 0.00 ? 22 LYS A HB3 19 ATOM 25900 H HG2 . LYS A 1 22 ? 1.593 -0.930 8.503 1.00 0.00 ? 22 LYS A HG2 19 ATOM 25901 H HG3 . LYS A 1 22 ? 0.454 0.049 9.429 1.00 0.00 ? 22 LYS A HG3 19 ATOM 25902 H HD2 . LYS A 1 22 ? 0.665 -2.067 10.524 1.00 0.00 ? 22 LYS A HD2 19 ATOM 25903 H HD3 . LYS A 1 22 ? -0.925 -2.007 9.762 1.00 0.00 ? 22 LYS A HD3 19 ATOM 25904 H HE2 . LYS A 1 22 ? -0.218 -3.415 7.985 1.00 0.00 ? 22 LYS A HE2 19 ATOM 25905 H HE3 . LYS A 1 22 ? 1.474 -3.276 8.460 1.00 0.00 ? 22 LYS A HE3 19 ATOM 25906 H HZ1 . LYS A 1 22 ? 0.252 -4.260 10.682 1.00 0.00 ? 22 LYS A HZ1 19 ATOM 25907 H HZ2 . LYS A 1 22 ? -0.546 -5.062 9.424 1.00 0.00 ? 22 LYS A HZ2 19 ATOM 25908 H HZ3 . LYS A 1 22 ? 1.136 -5.164 9.558 1.00 0.00 ? 22 LYS A HZ3 19 ATOM 25909 N N . GLU A 1 23 ? 1.375 -1.918 5.265 1.00 0.00 ? 23 GLU A N 19 ATOM 25910 C CA . GLU A 1 23 ? 2.423 -2.825 4.814 1.00 0.00 ? 23 GLU A CA 19 ATOM 25911 C C . GLU A 1 23 ? 3.454 -2.088 3.963 1.00 0.00 ? 23 GLU A C 19 ATOM 25912 O O . GLU A 1 23 ? 4.659 -2.313 4.094 1.00 0.00 ? 23 GLU A O 19 ATOM 25913 C CB . GLU A 1 23 ? 1.817 -3.980 4.014 1.00 0.00 ? 23 GLU A CB 19 ATOM 25914 C CG . GLU A 1 23 ? 2.172 -5.352 4.565 1.00 0.00 ? 23 GLU A CG 19 ATOM 25915 C CD . GLU A 1 23 ? 1.550 -6.479 3.765 1.00 0.00 ? 23 GLU A CD 19 ATOM 25916 O OE1 . GLU A 1 23 ? 0.618 -6.206 2.980 1.00 0.00 ? 23 GLU A OE1 19 ATOM 25917 O OE2 . GLU A 1 23 ? 1.996 -7.635 3.922 1.00 0.00 ? 23 GLU A OE2 19 ATOM 25918 H H . GLU A 1 23 ? 0.443 -2.110 5.030 1.00 0.00 ? 23 GLU A H 19 ATOM 25919 H HA . GLU A 1 23 ? 2.916 -3.224 5.688 1.00 0.00 ? 23 GLU A HA 19 ATOM 25920 H HB2 . GLU A 1 23 ? 0.742 -3.881 4.019 1.00 0.00 ? 23 GLU A HB2 19 ATOM 25921 H HB3 . GLU A 1 23 ? 2.172 -3.922 2.996 1.00 0.00 ? 23 GLU A HB3 19 ATOM 25922 H HG2 . GLU A 1 23 ? 3.245 -5.467 4.546 1.00 0.00 ? 23 GLU A HG2 19 ATOM 25923 H HG3 . GLU A 1 23 ? 1.822 -5.418 5.585 1.00 0.00 ? 23 GLU A HG3 19 ATOM 25924 N N . ILE A 1 24 ? 2.976 -1.205 3.089 1.00 0.00 ? 24 ILE A N 19 ATOM 25925 C CA . ILE A 1 24 ? 3.867 -0.442 2.225 1.00 0.00 ? 24 ILE A CA 19 ATOM 25926 C C . ILE A 1 24 ? 4.747 0.488 3.059 1.00 0.00 ? 24 ILE A C 19 ATOM 25927 O O . ILE A 1 24 ? 5.883 0.784 2.691 1.00 0.00 ? 24 ILE A O 19 ATOM 25928 C CB . ILE A 1 24 ? 3.088 0.357 1.133 1.00 0.00 ? 24 ILE A CB 19 ATOM 25929 C CG1 . ILE A 1 24 ? 2.703 1.769 1.596 1.00 0.00 ? 24 ILE A CG1 19 ATOM 25930 C CG2 . ILE A 1 24 ? 1.842 -0.404 0.705 1.00 0.00 ? 24 ILE A CG2 19 ATOM 25931 C CD1 . ILE A 1 24 ? 3.612 2.842 1.040 1.00 0.00 ? 24 ILE A CD1 19 ATOM 25932 H H . ILE A 1 24 ? 2.009 -1.064 3.030 1.00 0.00 ? 24 ILE A H 19 ATOM 25933 H HA . ILE A 1 24 ? 4.510 -1.152 1.719 1.00 0.00 ? 24 ILE A HA 19 ATOM 25934 H HB . ILE A 1 24 ? 3.730 0.439 0.267 1.00 0.00 ? 24 ILE A HB 19 ATOM 25935 H HG12 . ILE A 1 24 ? 1.696 1.985 1.272 1.00 0.00 ? 24 ILE A HG12 19 ATOM 25936 H HG13 . ILE A 1 24 ? 2.749 1.816 2.673 1.00 0.00 ? 24 ILE A HG13 19 ATOM 25937 H HG21 . ILE A 1 24 ? 1.904 -1.421 1.057 1.00 0.00 ? 24 ILE A HG21 19 ATOM 25938 H HG22 . ILE A 1 24 ? 0.970 0.070 1.129 1.00 0.00 ? 24 ILE A HG22 19 ATOM 25939 H HG23 . ILE A 1 24 ? 1.768 -0.397 -0.370 1.00 0.00 ? 24 ILE A HG23 19 ATOM 25940 H HD11 . ILE A 1 24 ? 4.307 2.396 0.342 1.00 0.00 ? 24 ILE A HD11 19 ATOM 25941 H HD12 . ILE A 1 24 ? 3.019 3.588 0.532 1.00 0.00 ? 24 ILE A HD12 19 ATOM 25942 H HD13 . ILE A 1 24 ? 4.159 3.305 1.848 1.00 0.00 ? 24 ILE A HD13 19 ATOM 25943 N N . GLU A 1 25 ? 4.208 0.933 4.191 1.00 0.00 ? 25 GLU A N 19 ATOM 25944 C CA . GLU A 1 25 ? 4.939 1.816 5.090 1.00 0.00 ? 25 GLU A CA 19 ATOM 25945 C C . GLU A 1 25 ? 6.176 1.110 5.623 1.00 0.00 ? 25 GLU A C 19 ATOM 25946 O O . GLU A 1 25 ? 7.269 1.677 5.642 1.00 0.00 ? 25 GLU A O 19 ATOM 25947 C CB . GLU A 1 25 ? 4.044 2.257 6.250 1.00 0.00 ? 25 GLU A CB 19 ATOM 25948 C CG . GLU A 1 25 ? 4.706 3.258 7.182 1.00 0.00 ? 25 GLU A CG 19 ATOM 25949 C CD . GLU A 1 25 ? 4.313 3.053 8.631 1.00 0.00 ? 25 GLU A CD 19 ATOM 25950 O OE1 . GLU A 1 25 ? 3.229 2.484 8.878 1.00 0.00 ? 25 GLU A OE1 19 ATOM 25951 O OE2 . GLU A 1 25 ? 5.088 3.463 9.521 1.00 0.00 ? 25 GLU A OE2 19 ATOM 25952 H H . GLU A 1 25 ? 3.300 0.654 4.431 1.00 0.00 ? 25 GLU A H 19 ATOM 25953 H HA . GLU A 1 25 ? 5.245 2.686 4.527 1.00 0.00 ? 25 GLU A HA 19 ATOM 25954 H HB2 . GLU A 1 25 ? 3.149 2.709 5.848 1.00 0.00 ? 25 GLU A HB2 19 ATOM 25955 H HB3 . GLU A 1 25 ? 3.769 1.387 6.828 1.00 0.00 ? 25 GLU A HB3 19 ATOM 25956 H HG2 . GLU A 1 25 ? 5.777 3.155 7.098 1.00 0.00 ? 25 GLU A HG2 19 ATOM 25957 H HG3 . GLU A 1 25 ? 4.416 4.255 6.883 1.00 0.00 ? 25 GLU A HG3 19 ATOM 25958 N N . ARG A 1 26 ? 5.999 -0.138 6.043 1.00 0.00 ? 26 ARG A N 19 ATOM 25959 C CA . ARG A 1 26 ? 7.107 -0.930 6.562 1.00 0.00 ? 26 ARG A CA 19 ATOM 25960 C C . ARG A 1 26 ? 8.213 -1.029 5.519 1.00 0.00 ? 26 ARG A C 19 ATOM 25961 O O . ARG A 1 26 ? 9.379 -0.747 5.801 1.00 0.00 ? 26 ARG A O 19 ATOM 25962 C CB . ARG A 1 26 ? 6.627 -2.329 6.953 1.00 0.00 ? 26 ARG A CB 19 ATOM 25963 C CG . ARG A 1 26 ? 7.243 -2.844 8.244 1.00 0.00 ? 26 ARG A CG 19 ATOM 25964 C CD . ARG A 1 26 ? 7.497 -4.342 8.181 1.00 0.00 ? 26 ARG A CD 19 ATOM 25965 N NE . ARG A 1 26 ? 6.294 -5.114 8.480 1.00 0.00 ? 26 ARG A NE 19 ATOM 25966 C CZ . ARG A 1 26 ? 6.256 -6.442 8.493 1.00 0.00 ? 26 ARG A CZ 19 ATOM 25967 N NH1 . ARG A 1 26 ? 7.352 -7.141 8.226 1.00 0.00 ? 26 ARG A NH1 19 ATOM 25968 N NH2 . ARG A 1 26 ? 5.125 -7.072 8.774 1.00 0.00 ? 26 ARG A NH2 19 ATOM 25969 H H . ARG A 1 26 ? 5.104 -0.539 5.994 1.00 0.00 ? 26 ARG A H 19 ATOM 25970 H HA . ARG A 1 26 ? 7.494 -0.430 7.437 1.00 0.00 ? 26 ARG A HA 19 ATOM 25971 H HB2 . ARG A 1 26 ? 5.554 -2.309 7.074 1.00 0.00 ? 26 ARG A HB2 19 ATOM 25972 H HB3 . ARG A 1 26 ? 6.878 -3.018 6.160 1.00 0.00 ? 26 ARG A HB3 19 ATOM 25973 H HG2 . ARG A 1 26 ? 8.182 -2.337 8.411 1.00 0.00 ? 26 ARG A HG2 19 ATOM 25974 H HG3 . ARG A 1 26 ? 6.569 -2.636 9.061 1.00 0.00 ? 26 ARG A HG3 19 ATOM 25975 H HD2 . ARG A 1 26 ? 7.837 -4.594 7.188 1.00 0.00 ? 26 ARG A HD2 19 ATOM 25976 H HD3 . ARG A 1 26 ? 8.264 -4.594 8.899 1.00 0.00 ? 26 ARG A HD3 19 ATOM 25977 H HE . ARG A 1 26 ? 5.474 -4.616 8.680 1.00 0.00 ? 26 ARG A HE 19 ATOM 25978 H HH11 . ARG A 1 26 ? 8.207 -6.668 8.015 1.00 0.00 ? 26 ARG A HH11 19 ATOM 25979 H HH12 . ARG A 1 26 ? 7.321 -8.141 8.238 1.00 0.00 ? 26 ARG A HH12 19 ATOM 25980 H HH21 . ARG A 1 26 ? 4.297 -6.549 8.977 1.00 0.00 ? 26 ARG A HH21 19 ATOM 25981 H HH22 . ARG A 1 26 ? 5.098 -8.072 8.784 1.00 0.00 ? 26 ARG A HH22 19 ATOM 25982 N N . HIS A 1 27 ? 7.835 -1.414 4.302 1.00 0.00 ? 27 HIS A N 19 ATOM 25983 C CA . HIS A 1 27 ? 8.793 -1.532 3.213 1.00 0.00 ? 27 HIS A CA 19 ATOM 25984 C C . HIS A 1 27 ? 9.364 -0.163 2.851 1.00 0.00 ? 27 HIS A C 19 ATOM 25985 O O . HIS A 1 27 ? 10.431 -0.067 2.243 1.00 0.00 ? 27 HIS A O 19 ATOM 25986 C CB . HIS A 1 27 ? 8.131 -2.163 1.987 1.00 0.00 ? 27 HIS A CB 19 ATOM 25987 C CG . HIS A 1 27 ? 8.336 -3.644 1.893 1.00 0.00 ? 27 HIS A CG 19 ATOM 25988 N ND1 . HIS A 1 27 ? 9.583 -4.234 1.917 1.00 0.00 ? 27 HIS A ND1 19 ATOM 25989 C CD2 . HIS A 1 27 ? 7.444 -4.657 1.777 1.00 0.00 ? 27 HIS A CD2 19 ATOM 25990 C CE1 . HIS A 1 27 ? 9.449 -5.545 1.817 1.00 0.00 ? 27 HIS A CE1 19 ATOM 25991 N NE2 . HIS A 1 27 ? 8.162 -5.826 1.732 1.00 0.00 ? 27 HIS A NE2 19 ATOM 25992 H H . HIS A 1 27 ? 6.888 -1.613 4.131 1.00 0.00 ? 27 HIS A H 19 ATOM 25993 H HA . HIS A 1 27 ? 9.599 -2.169 3.546 1.00 0.00 ? 27 HIS A HA 19 ATOM 25994 H HB2 . HIS A 1 27 ? 7.067 -1.978 2.025 1.00 0.00 ? 27 HIS A HB2 19 ATOM 25995 H HB3 . HIS A 1 27 ? 8.538 -1.713 1.093 1.00 0.00 ? 27 HIS A HB3 19 ATOM 25996 H HD1 . HIS A 1 27 ? 10.438 -3.762 1.993 1.00 0.00 ? 27 HIS A HD1 19 ATOM 25997 H HD2 . HIS A 1 27 ? 6.369 -4.561 1.728 1.00 0.00 ? 27 HIS A HD2 19 ATOM 25998 H HE1 . HIS A 1 27 ? 10.255 -6.264 1.809 1.00 0.00 ? 27 HIS A HE1 19 ATOM 25999 H HE2 . HIS A 1 27 ? 7.784 -6.725 1.650 1.00 0.00 ? 27 HIS A HE2 19 ATOM 26000 N N . LYS A 1 28 ? 8.649 0.895 3.231 1.00 0.00 ? 28 LYS A N 19 ATOM 26001 C CA . LYS A 1 28 ? 9.085 2.257 2.950 1.00 0.00 ? 28 LYS A CA 19 ATOM 26002 C C . LYS A 1 28 ? 10.141 2.703 3.952 1.00 0.00 ? 28 LYS A C 19 ATOM 26003 O O . LYS A 1 28 ? 10.974 3.558 3.652 1.00 0.00 ? 28 LYS A O 19 ATOM 26004 C CB . LYS A 1 28 ? 7.892 3.214 2.989 1.00 0.00 ? 28 LYS A CB 19 ATOM 26005 C CG . LYS A 1 28 ? 8.255 4.651 2.653 1.00 0.00 ? 28 LYS A CG 19 ATOM 26006 C CD . LYS A 1 28 ? 7.120 5.605 2.992 1.00 0.00 ? 28 LYS A CD 19 ATOM 26007 C CE . LYS A 1 28 ? 7.447 6.446 4.215 1.00 0.00 ? 28 LYS A CE 19 ATOM 26008 N NZ . LYS A 1 28 ? 6.955 7.844 4.075 1.00 0.00 ? 28 LYS A NZ 19 ATOM 26009 H H . LYS A 1 28 ? 7.809 0.758 3.714 1.00 0.00 ? 28 LYS A H 19 ATOM 26010 H HA . LYS A 1 28 ? 9.515 2.269 1.961 1.00 0.00 ? 28 LYS A HA 19 ATOM 26011 H HB2 . LYS A 1 28 ? 7.151 2.877 2.281 1.00 0.00 ? 28 LYS A HB2 19 ATOM 26012 H HB3 . LYS A 1 28 ? 7.464 3.196 3.980 1.00 0.00 ? 28 LYS A HB3 19 ATOM 26013 H HG2 . LYS A 1 28 ? 9.130 4.933 3.218 1.00 0.00 ? 28 LYS A HG2 19 ATOM 26014 H HG3 . LYS A 1 28 ? 8.469 4.721 1.596 1.00 0.00 ? 28 LYS A HG3 19 ATOM 26015 H HD2 . LYS A 1 28 ? 6.952 6.261 2.151 1.00 0.00 ? 28 LYS A HD2 19 ATOM 26016 H HD3 . LYS A 1 28 ? 6.227 5.031 3.188 1.00 0.00 ? 28 LYS A HD3 19 ATOM 26017 H HE2 . LYS A 1 28 ? 6.983 5.996 5.079 1.00 0.00 ? 28 LYS A HE2 19 ATOM 26018 H HE3 . LYS A 1 28 ? 8.519 6.461 4.350 1.00 0.00 ? 28 LYS A HE3 19 ATOM 26019 H HZ1 . LYS A 1 28 ? 7.372 8.287 3.231 1.00 0.00 ? 28 LYS A HZ1 19 ATOM 26020 H HZ2 . LYS A 1 28 ? 5.920 7.851 3.981 1.00 0.00 ? 28 LYS A HZ2 19 ATOM 26021 H HZ3 . LYS A 1 28 ? 7.220 8.402 4.913 1.00 0.00 ? 28 LYS A HZ3 19 ATOM 26022 N N . GLN A 1 29 ? 10.103 2.117 5.144 1.00 0.00 ? 29 GLN A N 19 ATOM 26023 C CA . GLN A 1 29 ? 11.060 2.452 6.189 1.00 0.00 ? 29 GLN A CA 19 ATOM 26024 C C . GLN A 1 29 ? 12.404 1.791 5.911 1.00 0.00 ? 29 GLN A C 19 ATOM 26025 O O . GLN A 1 29 ? 13.459 2.385 6.135 1.00 0.00 ? 29 GLN A O 19 ATOM 26026 C CB . GLN A 1 29 ? 10.534 2.012 7.557 1.00 0.00 ? 29 GLN A CB 19 ATOM 26027 C CG . GLN A 1 29 ? 11.303 2.607 8.724 1.00 0.00 ? 29 GLN A CG 19 ATOM 26028 C CD . GLN A 1 29 ? 11.183 1.774 9.985 1.00 0.00 ? 29 GLN A CD 19 ATOM 26029 O OE1 . GLN A 1 29 ? 11.793 0.710 10.100 1.00 0.00 ? 29 GLN A OE1 19 ATOM 26030 N NE2 . GLN A 1 29 ? 10.394 2.253 10.940 1.00 0.00 ? 29 GLN A NE2 19 ATOM 26031 H H . GLN A 1 29 ? 9.417 1.441 5.323 1.00 0.00 ? 29 GLN A H 19 ATOM 26032 H HA . GLN A 1 29 ? 11.191 3.524 6.189 1.00 0.00 ? 29 GLN A HA 19 ATOM 26033 H HB2 . GLN A 1 29 ? 9.500 2.312 7.644 1.00 0.00 ? 29 GLN A HB2 19 ATOM 26034 H HB3 . GLN A 1 29 ? 10.594 0.936 7.623 1.00 0.00 ? 29 GLN A HB3 19 ATOM 26035 H HG2 . GLN A 1 29 ? 12.346 2.676 8.455 1.00 0.00 ? 29 GLN A HG2 19 ATOM 26036 H HG3 . GLN A 1 29 ? 10.917 3.596 8.927 1.00 0.00 ? 29 GLN A HG3 19 ATOM 26037 H HE21 . GLN A 1 29 ? 9.940 3.107 10.779 1.00 0.00 ? 29 GLN A HE21 19 ATOM 26038 H HE22 . GLN A 1 29 ? 10.300 1.735 11.766 1.00 0.00 ? 29 GLN A HE22 19 ATOM 26039 N N . SER A 1 30 ? 12.357 0.558 5.417 1.00 0.00 ? 30 SER A N 19 ATOM 26040 C CA . SER A 1 30 ? 13.572 -0.185 5.104 1.00 0.00 ? 30 SER A CA 19 ATOM 26041 C C . SER A 1 30 ? 14.246 0.379 3.857 1.00 0.00 ? 30 SER A C 19 ATOM 26042 O O . SER A 1 30 ? 15.470 0.502 3.802 1.00 0.00 ? 30 SER A O 19 ATOM 26043 C CB . SER A 1 30 ? 13.251 -1.666 4.900 1.00 0.00 ? 30 SER A CB 19 ATOM 26044 O OG . SER A 1 30 ? 14.221 -2.489 5.524 1.00 0.00 ? 30 SER A OG 19 ATOM 26045 H H . SER A 1 30 ? 11.483 0.138 5.260 1.00 0.00 ? 30 SER A H 19 ATOM 26046 H HA . SER A 1 30 ? 14.247 -0.083 5.940 1.00 0.00 ? 30 SER A HA 19 ATOM 26047 H HB2 . SER A 1 30 ? 12.283 -1.885 5.328 1.00 0.00 ? 30 SER A HB2 19 ATOM 26048 H HB3 . SER A 1 30 ? 13.235 -1.887 3.843 1.00 0.00 ? 30 SER A HB3 19 ATOM 26049 H HG . SER A 1 30 ? 13.816 -3.318 5.790 1.00 0.00 ? 30 SER A HG 19 ATOM 26050 N N . ILE A 1 31 ? 13.439 0.721 2.856 1.00 0.00 ? 31 ILE A N 19 ATOM 26051 C CA . ILE A 1 31 ? 13.960 1.270 1.610 1.00 0.00 ? 31 ILE A CA 19 ATOM 26052 C C . ILE A 1 31 ? 14.364 2.729 1.784 1.00 0.00 ? 31 ILE A C 19 ATOM 26053 O O . ILE A 1 31 ? 15.246 3.229 1.085 1.00 0.00 ? 31 ILE A O 19 ATOM 26054 C CB . ILE A 1 31 ? 12.921 1.156 0.478 1.00 0.00 ? 31 ILE A CB 19 ATOM 26055 C CG1 . ILE A 1 31 ? 13.476 1.718 -0.830 1.00 0.00 ? 31 ILE A CG1 19 ATOM 26056 C CG2 . ILE A 1 31 ? 11.640 1.877 0.862 1.00 0.00 ? 31 ILE A CG2 19 ATOM 26057 C CD1 . ILE A 1 31 ? 14.396 0.762 -1.553 1.00 0.00 ? 31 ILE A CD1 19 ATOM 26058 H H . ILE A 1 31 ? 12.470 0.602 2.956 1.00 0.00 ? 31 ILE A H 19 ATOM 26059 H HA . ILE A 1 31 ? 14.833 0.698 1.331 1.00 0.00 ? 31 ILE A HA 19 ATOM 26060 H HB . ILE A 1 31 ? 12.691 0.110 0.342 1.00 0.00 ? 31 ILE A HB 19 ATOM 26061 H HG12 . ILE A 1 31 ? 12.651 1.944 -1.492 1.00 0.00 ? 31 ILE A HG12 19 ATOM 26062 H HG13 . ILE A 1 31 ? 14.026 2.622 -0.625 1.00 0.00 ? 31 ILE A HG13 19 ATOM 26063 H HG21 . ILE A 1 31 ? 11.614 2.020 1.932 1.00 0.00 ? 31 ILE A HG21 19 ATOM 26064 H HG22 . ILE A 1 31 ? 11.604 2.836 0.369 1.00 0.00 ? 31 ILE A HG22 19 ATOM 26065 H HG23 . ILE A 1 31 ? 10.789 1.284 0.559 1.00 0.00 ? 31 ILE A HG23 19 ATOM 26066 H HD11 . ILE A 1 31 ? 15.071 0.306 -0.843 1.00 0.00 ? 31 ILE A HD11 19 ATOM 26067 H HD12 . ILE A 1 31 ? 13.809 -0.005 -2.036 1.00 0.00 ? 31 ILE A HD12 19 ATOM 26068 H HD13 . ILE A 1 31 ? 14.965 1.302 -2.296 1.00 0.00 ? 31 ILE A HD13 19 ATOM 26069 N N . LYS A 1 32 ? 13.721 3.406 2.729 1.00 0.00 ? 32 LYS A N 19 ATOM 26070 C CA . LYS A 1 32 ? 14.021 4.804 3.004 1.00 0.00 ? 32 LYS A CA 19 ATOM 26071 C C . LYS A 1 32 ? 15.263 4.922 3.881 1.00 0.00 ? 32 LYS A C 19 ATOM 26072 O O . LYS A 1 32 ? 15.959 5.938 3.859 1.00 0.00 ? 32 LYS A O 19 ATOM 26073 C CB . LYS A 1 32 ? 12.831 5.481 3.687 1.00 0.00 ? 32 LYS A CB 19 ATOM 26074 C CG . LYS A 1 32 ? 13.105 6.919 4.100 1.00 0.00 ? 32 LYS A CG 19 ATOM 26075 C CD . LYS A 1 32 ? 11.897 7.542 4.780 1.00 0.00 ? 32 LYS A CD 19 ATOM 26076 C CE . LYS A 1 32 ? 11.412 6.693 5.944 1.00 0.00 ? 32 LYS A CE 19 ATOM 26077 N NZ . LYS A 1 32 ? 10.414 7.415 6.781 1.00 0.00 ? 32 LYS A NZ 19 ATOM 26078 H H . LYS A 1 32 ? 13.034 2.950 3.260 1.00 0.00 ? 32 LYS A H 19 ATOM 26079 H HA . LYS A 1 32 ? 14.212 5.295 2.061 1.00 0.00 ? 32 LYS A HA 19 ATOM 26080 H HB2 . LYS A 1 32 ? 11.991 5.478 3.008 1.00 0.00 ? 32 LYS A HB2 19 ATOM 26081 H HB3 . LYS A 1 32 ? 12.571 4.919 4.572 1.00 0.00 ? 32 LYS A HB3 19 ATOM 26082 H HG2 . LYS A 1 32 ? 13.939 6.934 4.786 1.00 0.00 ? 32 LYS A HG2 19 ATOM 26083 H HG3 . LYS A 1 32 ? 13.349 7.495 3.220 1.00 0.00 ? 32 LYS A HG3 19 ATOM 26084 H HD2 . LYS A 1 32 ? 12.167 8.520 5.149 1.00 0.00 ? 32 LYS A HD2 19 ATOM 26085 H HD3 . LYS A 1 32 ? 11.099 7.636 4.058 1.00 0.00 ? 32 LYS A HD3 19 ATOM 26086 H HE2 . LYS A 1 32 ? 10.959 5.795 5.555 1.00 0.00 ? 32 LYS A HE2 19 ATOM 26087 H HE3 . LYS A 1 32 ? 12.262 6.430 6.558 1.00 0.00 ? 32 LYS A HE3 19 ATOM 26088 H HZ1 . LYS A 1 32 ? 9.590 7.680 6.205 1.00 0.00 ? 32 LYS A HZ1 19 ATOM 26089 H HZ2 . LYS A 1 32 ? 10.097 6.807 7.564 1.00 0.00 ? 32 LYS A HZ2 19 ATOM 26090 H HZ3 . LYS A 1 32 ? 10.837 8.279 7.178 1.00 0.00 ? 32 LYS A HZ3 19 ATOM 26091 N N . LYS A 1 33 ? 15.535 3.874 4.653 1.00 0.00 ? 33 LYS A N 19 ATOM 26092 C CA . LYS A 1 33 ? 16.694 3.856 5.537 1.00 0.00 ? 33 LYS A CA 19 ATOM 26093 C C . LYS A 1 33 ? 17.972 3.585 4.751 1.00 0.00 ? 33 LYS A C 19 ATOM 26094 O O . LYS A 1 33 ? 19.006 4.204 4.998 1.00 0.00 ? 33 LYS A O 19 ATOM 26095 C CB . LYS A 1 33 ? 16.516 2.794 6.624 1.00 0.00 ? 33 LYS A CB 19 ATOM 26096 C CG . LYS A 1 33 ? 15.719 3.279 7.823 1.00 0.00 ? 33 LYS A CG 19 ATOM 26097 C CD . LYS A 1 33 ? 15.320 2.127 8.730 1.00 0.00 ? 33 LYS A CD 19 ATOM 26098 C CE . LYS A 1 33 ? 15.697 2.400 10.177 1.00 0.00 ? 33 LYS A CE 19 ATOM 26099 N NZ . LYS A 1 33 ? 17.159 2.243 10.408 1.00 0.00 ? 33 LYS A NZ 19 ATOM 26100 H H . LYS A 1 33 ? 14.944 3.093 4.626 1.00 0.00 ? 33 LYS A H 19 ATOM 26101 H HA . LYS A 1 33 ? 16.771 4.826 6.003 1.00 0.00 ? 33 LYS A HA 19 ATOM 26102 H HB2 . LYS A 1 33 ? 16.004 1.943 6.199 1.00 0.00 ? 33 LYS A HB2 19 ATOM 26103 H HB3 . LYS A 1 33 ? 17.490 2.482 6.969 1.00 0.00 ? 33 LYS A HB3 19 ATOM 26104 H HG2 . LYS A 1 33 ? 16.322 3.975 8.387 1.00 0.00 ? 33 LYS A HG2 19 ATOM 26105 H HG3 . LYS A 1 33 ? 14.826 3.776 7.473 1.00 0.00 ? 33 LYS A HG3 19 ATOM 26106 H HD2 . LYS A 1 33 ? 14.251 1.986 8.669 1.00 0.00 ? 33 LYS A HD2 19 ATOM 26107 H HD3 . LYS A 1 33 ? 15.822 1.230 8.399 1.00 0.00 ? 33 LYS A HD3 19 ATOM 26108 H HE2 . LYS A 1 33 ? 15.409 3.410 10.427 1.00 0.00 ? 33 LYS A HE2 19 ATOM 26109 H HE3 . LYS A 1 33 ? 15.165 1.706 10.812 1.00 0.00 ? 33 LYS A HE3 19 ATOM 26110 H HZ1 . LYS A 1 33 ? 17.679 2.389 9.520 1.00 0.00 ? 33 LYS A HZ1 19 ATOM 26111 H HZ2 . LYS A 1 33 ? 17.487 2.940 11.108 1.00 0.00 ? 33 LYS A HZ2 19 ATOM 26112 H HZ3 . LYS A 1 33 ? 17.365 1.288 10.764 1.00 0.00 ? 33 LYS A HZ3 19 ATOM 26113 N N . LEU A 1 34 ? 17.895 2.657 3.800 1.00 0.00 ? 34 LEU A N 19 ATOM 26114 C CA . LEU A 1 34 ? 19.051 2.312 2.981 1.00 0.00 ? 34 LEU A CA 19 ATOM 26115 C C . LEU A 1 34 ? 19.316 3.391 1.937 1.00 0.00 ? 34 LEU A C 19 ATOM 26116 O O . LEU A 1 34 ? 20.464 3.642 1.569 1.00 0.00 ? 34 LEU A O 19 ATOM 26117 C CB . LEU A 1 34 ? 18.836 0.961 2.295 1.00 0.00 ? 34 LEU A CB 19 ATOM 26118 C CG . LEU A 1 34 ? 20.028 0.004 2.366 1.00 0.00 ? 34 LEU A CG 19 ATOM 26119 C CD1 . LEU A 1 34 ? 19.733 -1.274 1.596 1.00 0.00 ? 34 LEU A CD1 19 ATOM 26120 C CD2 . LEU A 1 34 ? 21.283 0.677 1.827 1.00 0.00 ? 34 LEU A CD2 19 ATOM 26121 H H . LEU A 1 34 ? 17.043 2.194 3.646 1.00 0.00 ? 34 LEU A H 19 ATOM 26122 H HA . LEU A 1 34 ? 19.908 2.242 3.633 1.00 0.00 ? 34 LEU A HA 19 ATOM 26123 H HB2 . LEU A 1 34 ? 17.986 0.479 2.754 1.00 0.00 ? 34 LEU A HB2 19 ATOM 26124 H HB3 . LEU A 1 34 ? 18.609 1.141 1.256 1.00 0.00 ? 34 LEU A HB3 19 ATOM 26125 H HG . LEU A 1 34 ? 20.207 -0.262 3.398 1.00 0.00 ? 34 LEU A HG 19 ATOM 26126 H HD11 . LEU A 1 34 ? 18.786 -1.176 1.086 1.00 0.00 ? 34 LEU A HD11 19 ATOM 26127 H HD12 . LEU A 1 34 ? 20.516 -1.447 0.872 1.00 0.00 ? 34 LEU A HD12 19 ATOM 26128 H HD13 . LEU A 1 34 ? 19.688 -2.106 2.283 1.00 0.00 ? 34 LEU A HD13 19 ATOM 26129 H HD21 . LEU A 1 34 ? 21.325 1.696 2.180 1.00 0.00 ? 34 LEU A HD21 19 ATOM 26130 H HD22 . LEU A 1 34 ? 22.155 0.140 2.172 1.00 0.00 ? 34 LEU A HD22 19 ATOM 26131 H HD23 . LEU A 1 34 ? 21.260 0.669 0.747 1.00 0.00 ? 34 LEU A HD23 19 ATOM 26132 N N . LYS A 1 35 ? 18.250 4.027 1.467 1.00 0.00 ? 35 LYS A N 19 ATOM 26133 C CA . LYS A 1 35 ? 18.369 5.083 0.468 1.00 0.00 ? 35 LYS A CA 19 ATOM 26134 C C . LYS A 1 35 ? 18.740 6.408 1.125 1.00 0.00 ? 35 LYS A C 19 ATOM 26135 O O . LYS A 1 35 ? 19.345 7.277 0.496 1.00 0.00 ? 35 LYS A O 19 ATOM 26136 C CB . LYS A 1 35 ? 17.060 5.232 -0.308 1.00 0.00 ? 35 LYS A CB 19 ATOM 26137 C CG . LYS A 1 35 ? 17.099 6.326 -1.362 1.00 0.00 ? 35 LYS A CG 19 ATOM 26138 C CD . LYS A 1 35 ? 15.702 6.810 -1.715 1.00 0.00 ? 35 LYS A CD 19 ATOM 26139 C CE . LYS A 1 35 ? 15.306 8.022 -0.887 1.00 0.00 ? 35 LYS A CE 19 ATOM 26140 N NZ . LYS A 1 35 ? 13.882 7.959 -0.456 1.00 0.00 ? 35 LYS A NZ 19 ATOM 26141 H H . LYS A 1 35 ? 17.361 3.784 1.801 1.00 0.00 ? 35 LYS A H 19 ATOM 26142 H HA . LYS A 1 35 ? 19.156 4.803 -0.218 1.00 0.00 ? 35 LYS A HA 19 ATOM 26143 H HB2 . LYS A 1 35 ? 16.837 4.297 -0.799 1.00 0.00 ? 35 LYS A HB2 19 ATOM 26144 H HB3 . LYS A 1 35 ? 16.267 5.460 0.388 1.00 0.00 ? 35 LYS A HB3 19 ATOM 26145 H HG2 . LYS A 1 35 ? 17.671 7.160 -0.982 1.00 0.00 ? 35 LYS A HG2 19 ATOM 26146 H HG3 . LYS A 1 35 ? 17.572 5.939 -2.252 1.00 0.00 ? 35 LYS A HG3 19 ATOM 26147 H HD2 . LYS A 1 35 ? 15.678 7.077 -2.761 1.00 0.00 ? 35 LYS A HD2 19 ATOM 26148 H HD3 . LYS A 1 35 ? 14.997 6.013 -1.529 1.00 0.00 ? 35 LYS A HD3 19 ATOM 26149 H HE2 . LYS A 1 35 ? 15.936 8.066 -0.011 1.00 0.00 ? 35 LYS A HE2 19 ATOM 26150 H HE3 . LYS A 1 35 ? 15.455 8.912 -1.481 1.00 0.00 ? 35 LYS A HE3 19 ATOM 26151 H HZ1 . LYS A 1 35 ? 13.714 7.096 0.099 1.00 0.00 ? 35 LYS A HZ1 19 ATOM 26152 H HZ2 . LYS A 1 35 ? 13.649 8.786 0.130 1.00 0.00 ? 35 LYS A HZ2 19 ATOM 26153 H HZ3 . LYS A 1 35 ? 13.257 7.950 -1.287 1.00 0.00 ? 35 LYS A HZ3 19 ATOM 26154 N N . GLN A 1 36 ? 18.375 6.554 2.394 1.00 0.00 ? 36 GLN A N 19 ATOM 26155 C CA . GLN A 1 36 ? 18.670 7.771 3.139 1.00 0.00 ? 36 GLN A CA 19 ATOM 26156 C C . GLN A 1 36 ? 20.098 7.745 3.675 1.00 0.00 ? 36 GLN A C 19 ATOM 26157 O O . GLN A 1 36 ? 20.705 8.791 3.903 1.00 0.00 ? 36 GLN A O 19 ATOM 26158 C CB . GLN A 1 36 ? 17.682 7.940 4.295 1.00 0.00 ? 36 GLN A CB 19 ATOM 26159 C CG . GLN A 1 36 ? 17.970 9.149 5.171 1.00 0.00 ? 36 GLN A CG 19 ATOM 26160 C CD . GLN A 1 36 ? 16.761 9.590 5.972 1.00 0.00 ? 36 GLN A CD 19 ATOM 26161 O OE1 . GLN A 1 36 ? 16.539 10.783 6.176 1.00 0.00 ? 36 GLN A OE1 19 ATOM 26162 N NE2 . GLN A 1 36 ? 15.972 8.625 6.431 1.00 0.00 ? 36 GLN A NE2 19 ATOM 26163 H H . GLN A 1 36 ? 17.896 5.824 2.841 1.00 0.00 ? 36 GLN A H 19 ATOM 26164 H HA . GLN A 1 36 ? 18.566 8.607 2.464 1.00 0.00 ? 36 GLN A HA 19 ATOM 26165 H HB2 . GLN A 1 36 ? 16.686 8.046 3.890 1.00 0.00 ? 36 GLN A HB2 19 ATOM 26166 H HB3 . GLN A 1 36 ? 17.717 7.056 4.915 1.00 0.00 ? 36 GLN A HB3 19 ATOM 26167 H HG2 . GLN A 1 36 ? 18.765 8.899 5.856 1.00 0.00 ? 36 GLN A HG2 19 ATOM 26168 H HG3 . GLN A 1 36 ? 18.284 9.967 4.540 1.00 0.00 ? 36 GLN A HG3 19 ATOM 26169 H HE21 . GLN A 1 36 ? 16.210 7.697 6.230 1.00 0.00 ? 36 GLN A HE21 19 ATOM 26170 H HE22 . GLN A 1 36 ? 15.182 8.883 6.953 1.00 0.00 ? 36 GLN A HE22 19 ATOM 26171 N N . SER A 1 37 ? 20.627 6.542 3.874 1.00 0.00 ? 37 SER A N 19 ATOM 26172 C CA . SER A 1 37 ? 21.985 6.380 4.382 1.00 0.00 ? 37 SER A CA 19 ATOM 26173 C C . SER A 1 37 ? 23.009 6.592 3.272 1.00 0.00 ? 37 SER A C 19 ATOM 26174 O O . SER A 1 37 ? 24.150 6.973 3.532 1.00 0.00 ? 37 SER A O 19 ATOM 26175 C CB . SER A 1 37 ? 22.160 4.989 4.994 1.00 0.00 ? 37 SER A CB 19 ATOM 26176 O OG . SER A 1 37 ? 22.061 5.036 6.408 1.00 0.00 ? 37 SER A OG 19 ATOM 26177 H H . SER A 1 37 ? 20.094 5.745 3.674 1.00 0.00 ? 37 SER A H 19 ATOM 26178 H HA . SER A 1 37 ? 22.142 7.124 5.148 1.00 0.00 ? 37 SER A HA 19 ATOM 26179 H HB2 . SER A 1 37 ? 21.392 4.331 4.616 1.00 0.00 ? 37 SER A HB2 19 ATOM 26180 H HB3 . SER A 1 37 ? 23.132 4.600 4.727 1.00 0.00 ? 37 SER A HB3 19 ATOM 26181 H HG . SER A 1 37 ? 21.454 5.733 6.665 1.00 0.00 ? 37 SER A HG 19 ATOM 26182 N N . GLU A 1 38 ? 22.593 6.343 2.034 1.00 0.00 ? 38 GLU A N 19 ATOM 26183 C CA . GLU A 1 38 ? 23.476 6.508 0.885 1.00 0.00 ? 38 GLU A CA 19 ATOM 26184 C C . GLU A 1 38 ? 23.497 7.959 0.418 1.00 0.00 ? 38 GLU A C 19 ATOM 26185 O O . GLU A 1 38 ? 24.496 8.435 -0.120 1.00 0.00 ? 38 GLU A O 19 ATOM 26186 C CB . GLU A 1 38 ? 23.030 5.598 -0.262 1.00 0.00 ? 38 GLU A CB 19 ATOM 26187 C CG . GLU A 1 38 ? 23.870 5.750 -1.519 1.00 0.00 ? 38 GLU A CG 19 ATOM 26188 C CD . GLU A 1 38 ? 23.081 5.469 -2.784 1.00 0.00 ? 38 GLU A CD 19 ATOM 26189 O OE1 . GLU A 1 38 ? 22.033 4.797 -2.693 1.00 0.00 ? 38 GLU A OE1 19 ATOM 26190 O OE2 . GLU A 1 38 ? 23.514 5.920 -3.865 1.00 0.00 ? 38 GLU A OE2 19 ATOM 26191 H H . GLU A 1 38 ? 21.672 6.042 1.890 1.00 0.00 ? 38 GLU A H 19 ATOM 26192 H HA . GLU A 1 38 ? 24.473 6.225 1.189 1.00 0.00 ? 38 GLU A HA 19 ATOM 26193 H HB2 . GLU A 1 38 ? 23.091 4.571 0.064 1.00 0.00 ? 38 GLU A HB2 19 ATOM 26194 H HB3 . GLU A 1 38 ? 22.005 5.828 -0.509 1.00 0.00 ? 38 GLU A HB3 19 ATOM 26195 H HG2 . GLU A 1 38 ? 24.246 6.761 -1.566 1.00 0.00 ? 38 GLU A HG2 19 ATOM 26196 H HG3 . GLU A 1 38 ? 24.700 5.060 -1.469 1.00 0.00 ? 38 GLU A HG3 19 ATOM 26197 N N . ASP A 1 39 ? 22.387 8.660 0.631 1.00 0.00 ? 39 ASP A N 19 ATOM 26198 C CA . ASP A 1 39 ? 22.278 10.059 0.233 1.00 0.00 ? 39 ASP A CA 19 ATOM 26199 C C . ASP A 1 39 ? 22.775 10.981 1.341 1.00 0.00 ? 39 ASP A C 19 ATOM 26200 O O . ASP A 1 39 ? 23.204 12.106 1.082 1.00 0.00 ? 39 ASP A O 19 ATOM 26201 C CB . ASP A 1 39 ? 20.828 10.398 -0.117 1.00 0.00 ? 39 ASP A CB 19 ATOM 26202 C CG . ASP A 1 39 ? 20.725 11.557 -1.090 1.00 0.00 ? 39 ASP A CG 19 ATOM 26203 O OD1 . ASP A 1 39 ? 20.755 12.719 -0.636 1.00 0.00 ? 39 ASP A OD1 19 ATOM 26204 O OD2 . ASP A 1 39 ? 20.613 11.301 -2.308 1.00 0.00 ? 39 ASP A OD2 19 ATOM 26205 H H . ASP A 1 39 ? 21.624 8.226 1.066 1.00 0.00 ? 39 ASP A H 19 ATOM 26206 H HA . ASP A 1 39 ? 22.893 10.203 -0.642 1.00 0.00 ? 39 ASP A HA 19 ATOM 26207 H HB2 . ASP A 1 39 ? 20.360 9.535 -0.564 1.00 0.00 ? 39 ASP A HB2 19 ATOM 26208 H HB3 . ASP A 1 39 ? 20.299 10.663 0.787 1.00 0.00 ? 39 ASP A HB3 19 ATOM 26209 N N . ASP A 1 40 ? 22.716 10.497 2.578 1.00 0.00 ? 40 ASP A N 19 ATOM 26210 C CA . ASP A 1 40 ? 23.161 11.279 3.727 1.00 0.00 ? 40 ASP A CA 19 ATOM 26211 C C . ASP A 1 40 ? 24.636 11.643 3.599 1.00 0.00 ? 40 ASP A C 19 ATOM 26212 O O . ASP A 1 40 ? 25.511 10.784 3.707 1.00 0.00 ? 40 ASP A O 19 ATOM 26213 C CB . ASP A 1 40 ? 22.927 10.499 5.022 1.00 0.00 ? 40 ASP A CB 19 ATOM 26214 C CG . ASP A 1 40 ? 21.566 10.780 5.628 1.00 0.00 ? 40 ASP A CG 19 ATOM 26215 O OD1 . ASP A 1 40 ? 20.614 11.030 4.860 1.00 0.00 ? 40 ASP A OD1 19 ATOM 26216 O OD2 . ASP A 1 40 ? 21.453 10.751 6.871 1.00 0.00 ? 40 ASP A OD2 19 ATOM 26217 H H . ASP A 1 40 ? 22.366 9.594 2.722 1.00 0.00 ? 40 ASP A H 19 ATOM 26218 H HA . ASP A 1 40 ? 22.579 12.188 3.754 1.00 0.00 ? 40 ASP A HA 19 ATOM 26219 H HB2 . ASP A 1 40 ? 22.996 9.441 4.815 1.00 0.00 ? 40 ASP A HB2 19 ATOM 26220 H HB3 . ASP A 1 40 ? 23.685 10.772 5.741 1.00 0.00 ? 40 ASP A HB3 19 ATOM 26221 N N . ASP A 1 41 ? 24.906 12.924 3.367 1.00 0.00 ? 41 ASP A N 19 ATOM 26222 C CA . ASP A 1 41 ? 26.276 13.402 3.224 1.00 0.00 ? 41 ASP A CA 19 ATOM 26223 C C . ASP A 1 41 ? 26.673 14.276 4.409 1.00 0.00 ? 41 ASP A C 19 ATOM 26224 O O . ASP A 1 41 ? 25.856 15.128 4.815 1.00 0.00 ? 41 ASP A O 19 ATOM 26225 C CB . ASP A 1 41 ? 26.431 14.189 1.921 1.00 0.00 ? 41 ASP A CB 19 ATOM 26226 C CG . ASP A 1 41 ? 27.577 13.679 1.070 1.00 0.00 ? 41 ASP A CG 19 ATOM 26227 O OD1 . ASP A 1 41 ? 28.548 13.140 1.643 1.00 0.00 ? 41 ASP A OD1 19 ATOM 26228 O OD2 . ASP A 1 41 ? 27.504 13.818 -0.169 1.00 0.00 ? 41 ASP A OD2 19 ATOM 26229 O OXT . ASP A 1 41 ? 27.799 14.100 4.922 1.00 0.00 ? 41 ASP A OXT 19 ATOM 26230 H H . ASP A 1 41 ? 24.167 13.562 3.290 1.00 0.00 ? 41 ASP A H 19 ATOM 26231 H HA . ASP A 1 41 ? 26.926 12.541 3.193 1.00 0.00 ? 41 ASP A HA 19 ATOM 26232 H HB2 . ASP A 1 41 ? 25.519 14.109 1.349 1.00 0.00 ? 41 ASP A HB2 19 ATOM 26233 H HB3 . ASP A 1 41 ? 26.614 15.228 2.155 1.00 0.00 ? 41 ASP A HB3 19 ATOM 26234 N N . ALA B 1 1 ? 26.031 5.239 -7.823 1.00 0.00 ? 1 ALA B N 19 ATOM 26235 C CA . ALA B 1 1 ? 27.490 5.341 -8.082 1.00 0.00 ? 1 ALA B CA 19 ATOM 26236 C C . ALA B 1 1 ? 28.271 4.373 -7.201 1.00 0.00 ? 1 ALA B C 19 ATOM 26237 O O . ALA B 1 1 ? 28.209 4.446 -5.973 1.00 0.00 ? 1 ALA B O 19 ATOM 26238 C CB . ALA B 1 1 ? 27.968 6.767 -7.850 1.00 0.00 ? 1 ALA B CB 19 ATOM 26239 H H1 . ALA B 1 1 ? 25.889 5.269 -6.792 1.00 0.00 ? 1 ALA B H1 19 ATOM 26240 H H2 . ALA B 1 1 ? 25.568 6.046 -8.288 1.00 0.00 ? 1 ALA B H2 19 ATOM 26241 H H3 . ALA B 1 1 ? 25.700 4.338 -8.222 1.00 0.00 ? 1 ALA B H3 19 ATOM 26242 H HA . ALA B 1 1 ? 27.669 5.092 -9.118 1.00 0.00 ? 1 ALA B HA 19 ATOM 26243 H HB1 . ALA B 1 1 ? 28.416 6.842 -6.871 1.00 0.00 ? 1 ALA B HB1 19 ATOM 26244 H HB2 . ALA B 1 1 ? 28.698 7.029 -8.602 1.00 0.00 ? 1 ALA B HB2 19 ATOM 26245 H HB3 . ALA B 1 1 ? 27.128 7.443 -7.914 1.00 0.00 ? 1 ALA B HB3 19 ATOM 26246 N N . LEU B 1 2 ? 29.007 3.465 -7.835 1.00 0.00 ? 2 LEU B N 19 ATOM 26247 C CA . LEU B 1 2 ? 29.800 2.482 -7.109 1.00 0.00 ? 2 LEU B CA 19 ATOM 26248 C C . LEU B 1 2 ? 28.927 1.677 -6.151 1.00 0.00 ? 2 LEU B C 19 ATOM 26249 O O . LEU B 1 2 ? 27.783 2.044 -5.882 1.00 0.00 ? 2 LEU B O 19 ATOM 26250 C CB . LEU B 1 2 ? 30.923 3.174 -6.333 1.00 0.00 ? 2 LEU B CB 19 ATOM 26251 C CG . LEU B 1 2 ? 31.750 4.173 -7.145 1.00 0.00 ? 2 LEU B CG 19 ATOM 26252 C CD1 . LEU B 1 2 ? 32.136 3.577 -8.489 1.00 0.00 ? 2 LEU B CD1 19 ATOM 26253 C CD2 . LEU B 1 2 ? 30.979 5.470 -7.336 1.00 0.00 ? 2 LEU B CD2 19 ATOM 26254 H H . LEU B 1 2 ? 29.016 3.457 -8.815 1.00 0.00 ? 2 LEU B H 19 ATOM 26255 H HA . LEU B 1 2 ? 30.236 1.808 -7.831 1.00 0.00 ? 2 LEU B HA 19 ATOM 26256 H HB2 . LEU B 1 2 ? 30.484 3.697 -5.496 1.00 0.00 ? 2 LEU B HB2 19 ATOM 26257 H HB3 . LEU B 1 2 ? 31.590 2.415 -5.952 1.00 0.00 ? 2 LEU B HB3 19 ATOM 26258 H HG . LEU B 1 2 ? 32.659 4.399 -6.606 1.00 0.00 ? 2 LEU B HG 19 ATOM 26259 H HD11 . LEU B 1 2 ? 32.214 2.503 -8.398 1.00 0.00 ? 2 LEU B HD11 19 ATOM 26260 H HD12 . LEU B 1 2 ? 31.383 3.823 -9.222 1.00 0.00 ? 2 LEU B HD12 19 ATOM 26261 H HD13 . LEU B 1 2 ? 33.088 3.981 -8.802 1.00 0.00 ? 2 LEU B HD13 19 ATOM 26262 H HD21 . LEU B 1 2 ? 30.388 5.671 -6.455 1.00 0.00 ? 2 LEU B HD21 19 ATOM 26263 H HD22 . LEU B 1 2 ? 31.674 6.281 -7.497 1.00 0.00 ? 2 LEU B HD22 19 ATOM 26264 H HD23 . LEU B 1 2 ? 30.328 5.378 -8.193 1.00 0.00 ? 2 LEU B HD23 19 ATOM 26265 N N . LYS B 1 3 ? 29.474 0.580 -5.639 1.00 0.00 ? 3 LYS B N 19 ATOM 26266 C CA . LYS B 1 3 ? 28.744 -0.277 -4.712 1.00 0.00 ? 3 LYS B CA 19 ATOM 26267 C C . LYS B 1 3 ? 27.383 -0.661 -5.284 1.00 0.00 ? 3 LYS B C 19 ATOM 26268 O O . LYS B 1 3 ? 26.432 0.119 -5.226 1.00 0.00 ? 3 LYS B O 19 ATOM 26269 C CB . LYS B 1 3 ? 28.562 0.432 -3.367 1.00 0.00 ? 3 LYS B CB 19 ATOM 26270 C CG . LYS B 1 3 ? 28.598 -0.510 -2.175 1.00 0.00 ? 3 LYS B CG 19 ATOM 26271 C CD . LYS B 1 3 ? 29.317 0.118 -0.992 1.00 0.00 ? 3 LYS B CD 19 ATOM 26272 C CE . LYS B 1 3 ? 28.667 1.429 -0.578 1.00 0.00 ? 3 LYS B CE 19 ATOM 26273 N NZ . LYS B 1 3 ? 29.626 2.325 0.127 1.00 0.00 ? 3 LYS B NZ 19 ATOM 26274 H H . LYS B 1 3 ? 30.390 0.339 -5.892 1.00 0.00 ? 3 LYS B H 19 ATOM 26275 H HA . LYS B 1 3 ? 29.324 -1.174 -4.561 1.00 0.00 ? 3 LYS B HA 19 ATOM 26276 H HB2 . LYS B 1 3 ? 29.352 1.158 -3.248 1.00 0.00 ? 3 LYS B HB2 19 ATOM 26277 H HB3 . LYS B 1 3 ? 27.611 0.943 -3.368 1.00 0.00 ? 3 LYS B HB3 19 ATOM 26278 H HG2 . LYS B 1 3 ? 27.585 -0.744 -1.884 1.00 0.00 ? 3 LYS B HG2 19 ATOM 26279 H HG3 . LYS B 1 3 ? 29.113 -1.416 -2.459 1.00 0.00 ? 3 LYS B HG3 19 ATOM 26280 H HD2 . LYS B 1 3 ? 29.284 -0.568 -0.158 1.00 0.00 ? 3 LYS B HD2 19 ATOM 26281 H HD3 . LYS B 1 3 ? 30.345 0.305 -1.265 1.00 0.00 ? 3 LYS B HD3 19 ATOM 26282 H HE2 . LYS B 1 3 ? 28.303 1.930 -1.461 1.00 0.00 ? 3 LYS B HE2 19 ATOM 26283 H HE3 . LYS B 1 3 ? 27.840 1.213 0.082 1.00 0.00 ? 3 LYS B HE3 19 ATOM 26284 H HZ1 . LYS B 1 3 ? 30.326 1.760 0.649 1.00 0.00 ? 3 LYS B HZ1 19 ATOM 26285 H HZ2 . LYS B 1 3 ? 30.125 2.925 -0.561 1.00 0.00 ? 3 LYS B HZ2 19 ATOM 26286 H HZ3 . LYS B 1 3 ? 29.117 2.936 0.797 1.00 0.00 ? 3 LYS B HZ3 19 ATOM 26287 N N . LYS B 1 4 ? 27.296 -1.867 -5.834 1.00 0.00 ? 4 LYS B N 19 ATOM 26288 C CA . LYS B 1 4 ? 26.050 -2.352 -6.417 1.00 0.00 ? 4 LYS B CA 19 ATOM 26289 C C . LYS B 1 4 ? 25.403 -3.409 -5.526 1.00 0.00 ? 4 LYS B C 19 ATOM 26290 O O . LYS B 1 4 ? 24.600 -4.219 -5.993 1.00 0.00 ? 4 LYS B O 19 ATOM 26291 C CB . LYS B 1 4 ? 26.303 -2.928 -7.810 1.00 0.00 ? 4 LYS B CB 19 ATOM 26292 C CG . LYS B 1 4 ? 27.623 -3.674 -7.930 1.00 0.00 ? 4 LYS B CG 19 ATOM 26293 C CD . LYS B 1 4 ? 27.835 -4.206 -9.338 1.00 0.00 ? 4 LYS B CD 19 ATOM 26294 C CE . LYS B 1 4 ? 28.637 -3.232 -10.186 1.00 0.00 ? 4 LYS B CE 19 ATOM 26295 N NZ . LYS B 1 4 ? 29.864 -2.764 -9.484 1.00 0.00 ? 4 LYS B NZ 19 ATOM 26296 H H . LYS B 1 4 ? 28.088 -2.444 -5.850 1.00 0.00 ? 4 LYS B H 19 ATOM 26297 H HA . LYS B 1 4 ? 25.377 -1.513 -6.501 1.00 0.00 ? 4 LYS B HA 19 ATOM 26298 H HB2 . LYS B 1 4 ? 25.504 -3.613 -8.056 1.00 0.00 ? 4 LYS B HB2 19 ATOM 26299 H HB3 . LYS B 1 4 ? 26.305 -2.120 -8.526 1.00 0.00 ? 4 LYS B HB3 19 ATOM 26300 H HG2 . LYS B 1 4 ? 28.430 -3.000 -7.686 1.00 0.00 ? 4 LYS B HG2 19 ATOM 26301 H HG3 . LYS B 1 4 ? 27.619 -4.503 -7.239 1.00 0.00 ? 4 LYS B HG3 19 ATOM 26302 H HD2 . LYS B 1 4 ? 28.369 -5.142 -9.283 1.00 0.00 ? 4 LYS B HD2 19 ATOM 26303 H HD3 . LYS B 1 4 ? 26.872 -4.365 -9.802 1.00 0.00 ? 4 LYS B HD3 19 ATOM 26304 H HE2 . LYS B 1 4 ? 28.924 -3.725 -11.103 1.00 0.00 ? 4 LYS B HE2 19 ATOM 26305 H HE3 . LYS B 1 4 ? 28.016 -2.378 -10.416 1.00 0.00 ? 4 LYS B HE3 19 ATOM 26306 H HZ1 . LYS B 1 4 ? 30.276 -3.541 -8.929 1.00 0.00 ? 4 LYS B HZ1 19 ATOM 26307 H HZ2 . LYS B 1 4 ? 30.568 -2.435 -10.175 1.00 0.00 ? 4 LYS B HZ2 19 ATOM 26308 H HZ3 . LYS B 1 4 ? 29.631 -1.979 -8.843 1.00 0.00 ? 4 LYS B HZ3 19 ATOM 26309 N N . HIS B 1 5 ? 25.751 -3.395 -4.244 1.00 0.00 ? 5 HIS B N 19 ATOM 26310 C CA . HIS B 1 5 ? 25.197 -4.349 -3.292 1.00 0.00 ? 5 HIS B CA 19 ATOM 26311 C C . HIS B 1 5 ? 23.944 -3.781 -2.636 1.00 0.00 ? 5 HIS B C 19 ATOM 26312 O O . HIS B 1 5 ? 22.851 -4.338 -2.768 1.00 0.00 ? 5 HIS B O 19 ATOM 26313 C CB . HIS B 1 5 ? 26.235 -4.700 -2.224 1.00 0.00 ? 5 HIS B CB 19 ATOM 26314 C CG . HIS B 1 5 ? 27.623 -4.845 -2.764 1.00 0.00 ? 5 HIS B CG 19 ATOM 26315 N ND1 . HIS B 1 5 ? 28.296 -6.049 -2.795 1.00 0.00 ? 5 HIS B ND1 19 ATOM 26316 C CD2 . HIS B 1 5 ? 28.468 -3.931 -3.299 1.00 0.00 ? 5 HIS B CD2 19 ATOM 26317 C CE1 . HIS B 1 5 ? 29.494 -5.869 -3.324 1.00 0.00 ? 5 HIS B CE1 19 ATOM 26318 N NE2 . HIS B 1 5 ? 29.622 -4.593 -3.638 1.00 0.00 ? 5 HIS B NE2 19 ATOM 26319 H H . HIS B 1 5 ? 26.391 -2.724 -3.929 1.00 0.00 ? 5 HIS B H 19 ATOM 26320 H HA . HIS B 1 5 ? 24.932 -5.245 -3.834 1.00 0.00 ? 5 HIS B HA 19 ATOM 26321 H HB2 . HIS B 1 5 ? 26.249 -3.920 -1.477 1.00 0.00 ? 5 HIS B HB2 19 ATOM 26322 H HB3 . HIS B 1 5 ? 25.958 -5.634 -1.756 1.00 0.00 ? 5 HIS B HB3 19 ATOM 26323 H HD1 . HIS B 1 5 ? 27.948 -6.908 -2.476 1.00 0.00 ? 5 HIS B HD1 19 ATOM 26324 H HD2 . HIS B 1 5 ? 28.269 -2.876 -3.434 1.00 0.00 ? 5 HIS B HD2 19 ATOM 26325 H HE1 . HIS B 1 5 ? 30.240 -6.633 -3.475 1.00 0.00 ? 5 HIS B HE1 19 ATOM 26326 H HE2 . HIS B 1 5 ? 30.413 -4.187 -4.046 1.00 0.00 ? 5 HIS B HE2 19 ATOM 26327 N N . HIS B 1 6 ? 24.107 -2.665 -1.933 1.00 0.00 ? 6 HIS B N 19 ATOM 26328 C CA . HIS B 1 6 ? 22.988 -2.019 -1.266 1.00 0.00 ? 6 HIS B CA 19 ATOM 26329 C C . HIS B 1 6 ? 21.956 -1.556 -2.289 1.00 0.00 ? 6 HIS B C 19 ATOM 26330 O O . HIS B 1 6 ? 20.758 -1.573 -2.023 1.00 0.00 ? 6 HIS B O 19 ATOM 26331 C CB . HIS B 1 6 ? 23.475 -0.840 -0.417 1.00 0.00 ? 6 HIS B CB 19 ATOM 26332 C CG . HIS B 1 6 ? 23.854 0.369 -1.215 1.00 0.00 ? 6 HIS B CG 19 ATOM 26333 N ND1 . HIS B 1 6 ? 24.631 0.307 -2.352 1.00 0.00 ? 6 HIS B ND1 19 ATOM 26334 C CD2 . HIS B 1 6 ? 23.558 1.678 -1.034 1.00 0.00 ? 6 HIS B CD2 19 ATOM 26335 C CE1 . HIS B 1 6 ? 24.797 1.526 -2.836 1.00 0.00 ? 6 HIS B CE1 19 ATOM 26336 N NE2 . HIS B 1 6 ? 24.155 2.374 -2.055 1.00 0.00 ? 6 HIS B NE2 19 ATOM 26337 H H . HIS B 1 6 ? 25.000 -2.265 -1.868 1.00 0.00 ? 6 HIS B H 19 ATOM 26338 H HA . HIS B 1 6 ? 22.525 -2.751 -0.619 1.00 0.00 ? 6 HIS B HA 19 ATOM 26339 H HB2 . HIS B 1 6 ? 22.692 -0.552 0.267 1.00 0.00 ? 6 HIS B HB2 19 ATOM 26340 H HB3 . HIS B 1 6 ? 24.342 -1.150 0.150 1.00 0.00 ? 6 HIS B HB3 19 ATOM 26341 H HD1 . HIS B 1 6 ? 25.008 -0.507 -2.746 1.00 0.00 ? 6 HIS B HD1 19 ATOM 26342 H HD2 . HIS B 1 6 ? 22.962 2.095 -0.235 1.00 0.00 ? 6 HIS B HD2 19 ATOM 26343 H HE1 . HIS B 1 6 ? 25.358 1.783 -3.720 1.00 0.00 ? 6 HIS B HE1 19 ATOM 26344 H HE2 . HIS B 1 6 ? 24.113 3.344 -2.185 1.00 0.00 ? 6 HIS B HE2 19 ATOM 26345 N N . GLU B 1 7 ? 22.433 -1.155 -3.465 1.00 0.00 ? 7 GLU B N 19 ATOM 26346 C CA . GLU B 1 7 ? 21.554 -0.705 -4.533 1.00 0.00 ? 7 GLU B CA 19 ATOM 26347 C C . GLU B 1 7 ? 20.697 -1.865 -5.030 1.00 0.00 ? 7 GLU B C 19 ATOM 26348 O O . GLU B 1 7 ? 19.584 -1.665 -5.514 1.00 0.00 ? 7 GLU B O 19 ATOM 26349 C CB . GLU B 1 7 ? 22.370 -0.123 -5.689 1.00 0.00 ? 7 GLU B CB 19 ATOM 26350 C CG . GLU B 1 7 ? 22.338 1.395 -5.751 1.00 0.00 ? 7 GLU B CG 19 ATOM 26351 C CD . GLU B 1 7 ? 21.450 1.915 -6.865 1.00 0.00 ? 7 GLU B CD 19 ATOM 26352 O OE1 . GLU B 1 7 ? 20.232 2.066 -6.632 1.00 0.00 ? 7 GLU B OE1 19 ATOM 26353 O OE2 . GLU B 1 7 ? 21.973 2.170 -7.970 1.00 0.00 ? 7 GLU B OE2 19 ATOM 26354 H H . GLU B 1 7 ? 23.397 -1.172 -3.619 1.00 0.00 ? 7 GLU B H 19 ATOM 26355 H HA . GLU B 1 7 ? 20.908 0.062 -4.133 1.00 0.00 ? 7 GLU B HA 19 ATOM 26356 H HB2 . GLU B 1 7 ? 23.398 -0.436 -5.582 1.00 0.00 ? 7 GLU B HB2 19 ATOM 26357 H HB3 . GLU B 1 7 ? 21.981 -0.508 -6.620 1.00 0.00 ? 7 GLU B HB3 19 ATOM 26358 H HG2 . GLU B 1 7 ? 21.967 1.774 -4.811 1.00 0.00 ? 7 GLU B HG2 19 ATOM 26359 H HG3 . GLU B 1 7 ? 23.343 1.757 -5.913 1.00 0.00 ? 7 GLU B HG3 19 ATOM 26360 N N . ASN B 1 8 ? 21.224 -3.080 -4.892 1.00 0.00 ? 8 ASN B N 19 ATOM 26361 C CA . ASN B 1 8 ? 20.505 -4.277 -5.311 1.00 0.00 ? 8 ASN B CA 19 ATOM 26362 C C . ASN B 1 8 ? 19.310 -4.511 -4.397 1.00 0.00 ? 8 ASN B C 19 ATOM 26363 O O . ASN B 1 8 ? 18.162 -4.509 -4.842 1.00 0.00 ? 8 ASN B O 19 ATOM 26364 C CB . ASN B 1 8 ? 21.432 -5.494 -5.287 1.00 0.00 ? 8 ASN B CB 19 ATOM 26365 C CG . ASN B 1 8 ? 21.894 -5.895 -6.674 1.00 0.00 ? 8 ASN B CG 19 ATOM 26366 O OD1 . ASN B 1 8 ? 21.172 -5.725 -7.656 1.00 0.00 ? 8 ASN B OD1 19 ATOM 26367 N ND2 . ASN B 1 8 ? 23.105 -6.434 -6.761 1.00 0.00 ? 8 ASN B ND2 19 ATOM 26368 H H . ASN B 1 8 ? 22.113 -3.173 -4.489 1.00 0.00 ? 8 ASN B H 19 ATOM 26369 H HA . ASN B 1 8 ? 20.151 -4.119 -6.319 1.00 0.00 ? 8 ASN B HA 19 ATOM 26370 H HB2 . ASN B 1 8 ? 22.302 -5.264 -4.691 1.00 0.00 ? 8 ASN B HB2 19 ATOM 26371 H HB3 . ASN B 1 8 ? 20.908 -6.329 -4.846 1.00 0.00 ? 8 ASN B HB3 19 ATOM 26372 H HD21 . ASN B 1 8 ? 23.626 -6.541 -5.937 1.00 0.00 ? 8 ASN B HD21 19 ATOM 26373 H HD22 . ASN B 1 8 ? 23.429 -6.703 -7.646 1.00 0.00 ? 8 ASN B HD22 19 ATOM 26374 N N . GLU B 1 9 ? 19.586 -4.687 -3.107 1.00 0.00 ? 9 GLU B N 19 ATOM 26375 C CA . GLU B 1 9 ? 18.527 -4.892 -2.127 1.00 0.00 ? 9 GLU B CA 19 ATOM 26376 C C . GLU B 1 9 ? 17.638 -3.650 -2.040 1.00 0.00 ? 9 GLU B C 19 ATOM 26377 O O . GLU B 1 9 ? 16.514 -3.710 -1.543 1.00 0.00 ? 9 GLU B O 19 ATOM 26378 C CB . GLU B 1 9 ? 19.125 -5.207 -0.754 1.00 0.00 ? 9 GLU B CB 19 ATOM 26379 C CG . GLU B 1 9 ? 18.092 -5.278 0.358 1.00 0.00 ? 9 GLU B CG 19 ATOM 26380 C CD . GLU B 1 9 ? 18.261 -6.504 1.233 1.00 0.00 ? 9 GLU B CD 19 ATOM 26381 O OE1 . GLU B 1 9 ? 19.393 -6.750 1.698 1.00 0.00 ? 9 GLU B OE1 19 ATOM 26382 O OE2 . GLU B 1 9 ? 17.260 -7.219 1.453 1.00 0.00 ? 9 GLU B OE2 19 ATOM 26383 H H . GLU B 1 9 ? 20.522 -4.658 -2.807 1.00 0.00 ? 9 GLU B H 19 ATOM 26384 H HA . GLU B 1 9 ? 17.929 -5.729 -2.453 1.00 0.00 ? 9 GLU B HA 19 ATOM 26385 H HB2 . GLU B 1 9 ? 19.633 -6.159 -0.805 1.00 0.00 ? 9 GLU B HB2 19 ATOM 26386 H HB3 . GLU B 1 9 ? 19.842 -4.439 -0.502 1.00 0.00 ? 9 GLU B HB3 19 ATOM 26387 H HG2 . GLU B 1 9 ? 18.185 -4.398 0.976 1.00 0.00 ? 9 GLU B HG2 19 ATOM 26388 H HG3 . GLU B 1 9 ? 17.106 -5.302 -0.085 1.00 0.00 ? 9 GLU B HG3 19 ATOM 26389 N N . ILE B 1 10 ? 18.156 -2.526 -2.537 1.00 0.00 ? 10 ILE B N 19 ATOM 26390 C CA . ILE B 1 10 ? 17.429 -1.266 -2.532 1.00 0.00 ? 10 ILE B CA 19 ATOM 26391 C C . ILE B 1 10 ? 16.446 -1.227 -3.705 1.00 0.00 ? 10 ILE B C 19 ATOM 26392 O O . ILE B 1 10 ? 15.386 -0.607 -3.621 1.00 0.00 ? 10 ILE B O 19 ATOM 26393 C CB . ILE B 1 10 ? 18.436 -0.074 -2.583 1.00 0.00 ? 10 ILE B CB 19 ATOM 26394 C CG1 . ILE B 1 10 ? 18.886 0.284 -1.166 1.00 0.00 ? 10 ILE B CG1 19 ATOM 26395 C CG2 . ILE B 1 10 ? 17.874 1.167 -3.275 1.00 0.00 ? 10 ILE B CG2 19 ATOM 26396 C CD1 . ILE B 1 10 ? 19.896 1.409 -1.121 1.00 0.00 ? 10 ILE B CD1 19 ATOM 26397 H H . ILE B 1 10 ? 19.052 -2.546 -2.923 1.00 0.00 ? 10 ILE B H 19 ATOM 26398 H HA . ILE B 1 10 ? 16.873 -1.205 -1.608 1.00 0.00 ? 10 ILE B HA 19 ATOM 26399 H HB . ILE B 1 10 ? 19.298 -0.396 -3.143 1.00 0.00 ? 10 ILE B HB 19 ATOM 26400 H HG12 . ILE B 1 10 ? 18.025 0.589 -0.589 1.00 0.00 ? 10 ILE B HG12 19 ATOM 26401 H HG13 . ILE B 1 10 ? 19.332 -0.585 -0.706 1.00 0.00 ? 10 ILE B HG13 19 ATOM 26402 H HG21 . ILE B 1 10 ? 17.464 0.893 -4.234 1.00 0.00 ? 10 ILE B HG21 19 ATOM 26403 H HG22 . ILE B 1 10 ? 17.102 1.605 -2.662 1.00 0.00 ? 10 ILE B HG22 19 ATOM 26404 H HG23 . ILE B 1 10 ? 18.671 1.883 -3.419 1.00 0.00 ? 10 ILE B HG23 19 ATOM 26405 H HD11 . ILE B 1 10 ? 19.599 2.187 -1.809 1.00 0.00 ? 10 ILE B HD11 19 ATOM 26406 H HD12 . ILE B 1 10 ? 19.941 1.812 -0.120 1.00 0.00 ? 10 ILE B HD12 19 ATOM 26407 H HD13 . ILE B 1 10 ? 20.868 1.031 -1.403 1.00 0.00 ? 10 ILE B HD13 19 ATOM 26408 N N . SER B 1 11 ? 16.804 -1.902 -4.791 1.00 0.00 ? 11 SER B N 19 ATOM 26409 C CA . SER B 1 11 ? 15.953 -1.952 -5.971 1.00 0.00 ? 11 SER B CA 19 ATOM 26410 C C . SER B 1 11 ? 14.750 -2.848 -5.713 1.00 0.00 ? 11 SER B C 19 ATOM 26411 O O . SER B 1 11 ? 13.640 -2.568 -6.169 1.00 0.00 ? 11 SER B O 19 ATOM 26412 C CB . SER B 1 11 ? 16.740 -2.465 -7.178 1.00 0.00 ? 11 SER B CB 19 ATOM 26413 O OG . SER B 1 11 ? 15.975 -2.370 -8.368 1.00 0.00 ? 11 SER B OG 19 ATOM 26414 H H . SER B 1 11 ? 17.657 -2.382 -4.796 1.00 0.00 ? 11 SER B H 19 ATOM 26415 H HA . SER B 1 11 ? 15.605 -0.950 -6.174 1.00 0.00 ? 11 SER B HA 19 ATOM 26416 H HB2 . SER B 1 11 ? 17.639 -1.877 -7.295 1.00 0.00 ? 11 SER B HB2 19 ATOM 26417 H HB3 . SER B 1 11 ? 17.006 -3.500 -7.017 1.00 0.00 ? 11 SER B HB3 19 ATOM 26418 H HG . SER B 1 11 ? 15.386 -1.614 -8.312 1.00 0.00 ? 11 SER B HG 19 ATOM 26419 N N . HIS B 1 12 ? 14.977 -3.924 -4.967 1.00 0.00 ? 12 HIS B N 19 ATOM 26420 C CA . HIS B 1 12 ? 13.913 -4.858 -4.637 1.00 0.00 ? 12 HIS B CA 19 ATOM 26421 C C . HIS B 1 12 ? 12.924 -4.199 -3.669 1.00 0.00 ? 12 HIS B C 19 ATOM 26422 O O . HIS B 1 12 ? 11.711 -4.239 -3.885 1.00 0.00 ? 12 HIS B O 19 ATOM 26423 C CB . HIS B 1 12 ? 14.525 -6.162 -4.071 1.00 0.00 ? 12 HIS B CB 19 ATOM 26424 C CG . HIS B 1 12 ? 13.863 -6.718 -2.844 1.00 0.00 ? 12 HIS B CG 19 ATOM 26425 N ND1 . HIS B 1 12 ? 12.807 -7.605 -2.888 1.00 0.00 ? 12 HIS B ND1 19 ATOM 26426 C CD2 . HIS B 1 12 ? 14.120 -6.507 -1.533 1.00 0.00 ? 12 HIS B CD2 19 ATOM 26427 C CE1 . HIS B 1 12 ? 12.444 -7.915 -1.656 1.00 0.00 ? 12 HIS B CE1 19 ATOM 26428 N NE2 . HIS B 1 12 ? 13.225 -7.261 -0.817 1.00 0.00 ? 12 HIS B NE2 19 ATOM 26429 H H . HIS B 1 12 ? 15.882 -4.090 -4.624 1.00 0.00 ? 12 HIS B H 19 ATOM 26430 H HA . HIS B 1 12 ? 13.390 -5.090 -5.553 1.00 0.00 ? 12 HIS B HA 19 ATOM 26431 H HB2 . HIS B 1 12 ? 14.480 -6.923 -4.834 1.00 0.00 ? 12 HIS B HB2 19 ATOM 26432 H HB3 . HIS B 1 12 ? 15.563 -5.976 -3.829 1.00 0.00 ? 12 HIS B HB3 19 ATOM 26433 H HD1 . HIS B 1 12 ? 12.388 -7.955 -3.702 1.00 0.00 ? 12 HIS B HD1 19 ATOM 26434 H HD2 . HIS B 1 12 ? 14.889 -5.863 -1.131 1.00 0.00 ? 12 HIS B HD2 19 ATOM 26435 H HE1 . HIS B 1 12 ? 11.646 -8.588 -1.383 1.00 0.00 ? 12 HIS B HE1 19 ATOM 26436 H HE2 . HIS B 1 12 ? 13.173 -7.310 0.161 1.00 0.00 ? 12 HIS B HE2 19 ATOM 26437 N N . HIS B 1 13 ? 13.446 -3.581 -2.611 1.00 0.00 ? 13 HIS B N 19 ATOM 26438 C CA . HIS B 1 13 ? 12.593 -2.911 -1.639 1.00 0.00 ? 13 HIS B CA 19 ATOM 26439 C C . HIS B 1 13 ? 11.779 -1.817 -2.315 1.00 0.00 ? 13 HIS B C 19 ATOM 26440 O O . HIS B 1 13 ? 10.649 -1.544 -1.923 1.00 0.00 ? 13 HIS B O 19 ATOM 26441 C CB . HIS B 1 13 ? 13.419 -2.298 -0.511 1.00 0.00 ? 13 HIS B CB 19 ATOM 26442 C CG . HIS B 1 13 ? 14.221 -3.286 0.271 1.00 0.00 ? 13 HIS B CG 19 ATOM 26443 N ND1 . HIS B 1 13 ? 13.839 -4.597 0.462 1.00 0.00 ? 13 HIS B ND1 19 ATOM 26444 C CD2 . HIS B 1 13 ? 15.391 -3.136 0.926 1.00 0.00 ? 13 HIS B CD2 19 ATOM 26445 C CE1 . HIS B 1 13 ? 14.743 -5.211 1.204 1.00 0.00 ? 13 HIS B CE1 19 ATOM 26446 N NE2 . HIS B 1 13 ? 15.696 -4.347 1.498 1.00 0.00 ? 13 HIS B NE2 19 ATOM 26447 H H . HIS B 1 13 ? 14.420 -3.568 -2.488 1.00 0.00 ? 13 HIS B H 19 ATOM 26448 H HA . HIS B 1 13 ? 11.919 -3.646 -1.225 1.00 0.00 ? 13 HIS B HA 19 ATOM 26449 H HB2 . HIS B 1 13 ? 14.103 -1.575 -0.927 1.00 0.00 ? 13 HIS B HB2 19 ATOM 26450 H HB3 . HIS B 1 13 ? 12.752 -1.799 0.175 1.00 0.00 ? 13 HIS B HB3 19 ATOM 26451 H HD1 . HIS B 1 13 ? 13.026 -5.014 0.106 1.00 0.00 ? 13 HIS B HD1 19 ATOM 26452 H HD2 . HIS B 1 13 ? 15.973 -2.228 0.989 1.00 0.00 ? 13 HIS B HD2 19 ATOM 26453 H HE1 . HIS B 1 13 ? 14.709 -6.246 1.516 1.00 0.00 ? 13 HIS B HE1 19 ATOM 26454 H HE2 . HIS B 1 13 ? 16.490 -4.539 2.038 1.00 0.00 ? 13 HIS B HE2 19 ATOM 26455 N N . ALA B 1 14 ? 12.365 -1.192 -3.333 1.00 0.00 ? 14 ALA B N 19 ATOM 26456 C CA . ALA B 1 14 ? 11.686 -0.128 -4.061 1.00 0.00 ? 14 ALA B CA 19 ATOM 26457 C C . ALA B 1 14 ? 10.444 -0.665 -4.751 1.00 0.00 ? 14 ALA B C 19 ATOM 26458 O O . ALA B 1 14 ? 9.372 -0.068 -4.678 1.00 0.00 ? 14 ALA B O 19 ATOM 26459 C CB . ALA B 1 14 ? 12.627 0.511 -5.072 1.00 0.00 ? 14 ALA B CB 19 ATOM 26460 H H . ALA B 1 14 ? 13.271 -1.453 -3.600 1.00 0.00 ? 14 ALA B H 19 ATOM 26461 H HA . ALA B 1 14 ? 11.389 0.627 -3.348 1.00 0.00 ? 14 ALA B HA 19 ATOM 26462 H HB1 . ALA B 1 14 ? 13.557 -0.038 -5.095 1.00 0.00 ? 14 ALA B HB1 19 ATOM 26463 H HB2 . ALA B 1 14 ? 12.171 0.489 -6.051 1.00 0.00 ? 14 ALA B HB2 19 ATOM 26464 H HB3 . ALA B 1 14 ? 12.820 1.534 -4.787 1.00 0.00 ? 14 ALA B HB3 19 ATOM 26465 N N . LYS B 1 15 ? 10.590 -1.811 -5.403 1.00 0.00 ? 15 LYS B N 19 ATOM 26466 C CA . LYS B 1 15 ? 9.467 -2.439 -6.082 1.00 0.00 ? 15 LYS B CA 19 ATOM 26467 C C . LYS B 1 15 ? 8.467 -2.982 -5.063 1.00 0.00 ? 15 LYS B C 19 ATOM 26468 O O . LYS B 1 15 ? 7.323 -3.276 -5.404 1.00 0.00 ? 15 LYS B O 19 ATOM 26469 C CB . LYS B 1 15 ? 9.955 -3.566 -6.994 1.00 0.00 ? 15 LYS B CB 19 ATOM 26470 C CG . LYS B 1 15 ? 10.526 -4.756 -6.239 1.00 0.00 ? 15 LYS B CG 19 ATOM 26471 C CD . LYS B 1 15 ? 10.225 -6.064 -6.953 1.00 0.00 ? 15 LYS B CD 19 ATOM 26472 C CE . LYS B 1 15 ? 11.422 -7.000 -6.930 1.00 0.00 ? 15 LYS B CE 19 ATOM 26473 N NZ . LYS B 1 15 ? 11.320 -8.058 -7.972 1.00 0.00 ? 15 LYS B NZ 19 ATOM 26474 H H . LYS B 1 15 ? 11.466 -2.251 -5.415 1.00 0.00 ? 15 LYS B H 19 ATOM 26475 H HA . LYS B 1 15 ? 8.979 -1.685 -6.682 1.00 0.00 ? 15 LYS B HA 19 ATOM 26476 H HB2 . LYS B 1 15 ? 9.127 -3.911 -7.594 1.00 0.00 ? 15 LYS B HB2 19 ATOM 26477 H HB3 . LYS B 1 15 ? 10.724 -3.179 -7.645 1.00 0.00 ? 15 LYS B HB3 19 ATOM 26478 H HG2 . LYS B 1 15 ? 11.595 -4.641 -6.158 1.00 0.00 ? 15 LYS B HG2 19 ATOM 26479 H HG3 . LYS B 1 15 ? 10.090 -4.787 -5.251 1.00 0.00 ? 15 LYS B HG3 19 ATOM 26480 H HD2 . LYS B 1 15 ? 9.394 -6.548 -6.463 1.00 0.00 ? 15 LYS B HD2 19 ATOM 26481 H HD3 . LYS B 1 15 ? 9.965 -5.851 -7.979 1.00 0.00 ? 15 LYS B HD3 19 ATOM 26482 H HE2 . LYS B 1 15 ? 12.318 -6.422 -7.103 1.00 0.00 ? 15 LYS B HE2 19 ATOM 26483 H HE3 . LYS B 1 15 ? 11.479 -7.468 -5.958 1.00 0.00 ? 15 LYS B HE3 19 ATOM 26484 H HZ1 . LYS B 1 15 ? 10.376 -8.493 -7.950 1.00 0.00 ? 15 LYS B HZ1 19 ATOM 26485 H HZ2 . LYS B 1 15 ? 11.479 -7.648 -8.915 1.00 0.00 ? 15 LYS B HZ2 19 ATOM 26486 H HZ3 . LYS B 1 15 ? 12.033 -8.797 -7.803 1.00 0.00 ? 15 LYS B HZ3 19 ATOM 26487 N N . GLU B 1 16 ? 8.907 -3.117 -3.810 1.00 0.00 ? 16 GLU B N 19 ATOM 26488 C CA . GLU B 1 16 ? 8.048 -3.627 -2.749 1.00 0.00 ? 16 GLU B CA 19 ATOM 26489 C C . GLU B 1 16 ? 7.089 -2.555 -2.239 1.00 0.00 ? 16 GLU B C 19 ATOM 26490 O O . GLU B 1 16 ? 5.905 -2.821 -2.047 1.00 0.00 ? 16 GLU B O 19 ATOM 26491 C CB . GLU B 1 16 ? 8.895 -4.163 -1.593 1.00 0.00 ? 16 GLU B CB 19 ATOM 26492 C CG . GLU B 1 16 ? 8.746 -5.660 -1.373 1.00 0.00 ? 16 GLU B CG 19 ATOM 26493 C CD . GLU B 1 16 ? 10.041 -6.317 -0.939 1.00 0.00 ? 16 GLU B CD 19 ATOM 26494 O OE1 . GLU B 1 16 ? 11.104 -5.673 -1.065 1.00 0.00 ? 16 GLU B OE1 19 ATOM 26495 O OE2 . GLU B 1 16 ? 9.993 -7.476 -0.475 1.00 0.00 ? 16 GLU B OE2 19 ATOM 26496 H H . GLU B 1 16 ? 9.831 -2.873 -3.594 1.00 0.00 ? 16 GLU B H 19 ATOM 26497 H HA . GLU B 1 16 ? 7.467 -4.438 -3.161 1.00 0.00 ? 16 GLU B HA 19 ATOM 26498 H HB2 . GLU B 1 16 ? 9.934 -3.953 -1.795 1.00 0.00 ? 16 GLU B HB2 19 ATOM 26499 H HB3 . GLU B 1 16 ? 8.604 -3.657 -0.684 1.00 0.00 ? 16 GLU B HB3 19 ATOM 26500 H HG2 . GLU B 1 16 ? 8.003 -5.826 -0.608 1.00 0.00 ? 16 GLU B HG2 19 ATOM 26501 H HG3 . GLU B 1 16 ? 8.420 -6.115 -2.296 1.00 0.00 ? 16 GLU B HG3 19 ATOM 26502 N N . ILE B 1 17 ? 7.594 -1.342 -2.020 1.00 0.00 ? 17 ILE B N 19 ATOM 26503 C CA . ILE B 1 17 ? 6.752 -0.254 -1.534 1.00 0.00 ? 17 ILE B CA 19 ATOM 26504 C C . ILE B 1 17 ? 5.883 0.295 -2.661 1.00 0.00 ? 17 ILE B C 19 ATOM 26505 O O . ILE B 1 17 ? 4.764 0.755 -2.429 1.00 0.00 ? 17 ILE B O 19 ATOM 26506 C CB . ILE B 1 17 ? 7.596 0.889 -0.930 1.00 0.00 ? 17 ILE B CB 19 ATOM 26507 C CG1 . ILE B 1 17 ? 6.693 2.041 -0.475 1.00 0.00 ? 17 ILE B CG1 19 ATOM 26508 C CG2 . ILE B 1 17 ? 8.629 1.376 -1.935 1.00 0.00 ? 17 ILE B CG2 19 ATOM 26509 C CD1 . ILE B 1 17 ? 7.448 3.297 -0.097 1.00 0.00 ? 17 ILE B CD1 19 ATOM 26510 H H . ILE B 1 17 ? 8.549 -1.173 -2.188 1.00 0.00 ? 17 ILE B H 19 ATOM 26511 H HA . ILE B 1 17 ? 6.107 -0.649 -0.759 1.00 0.00 ? 17 ILE B HA 19 ATOM 26512 H HB . ILE B 1 17 ? 8.124 0.498 -0.074 1.00 0.00 ? 17 ILE B HB 19 ATOM 26513 H HG12 . ILE B 1 17 ? 6.012 2.293 -1.273 1.00 0.00 ? 17 ILE B HG12 19 ATOM 26514 H HG13 . ILE B 1 17 ? 6.126 1.722 0.389 1.00 0.00 ? 17 ILE B HG13 19 ATOM 26515 H HG21 . ILE B 1 17 ? 8.619 0.731 -2.800 1.00 0.00 ? 17 ILE B HG21 19 ATOM 26516 H HG22 . ILE B 1 17 ? 8.391 2.385 -2.237 1.00 0.00 ? 17 ILE B HG22 19 ATOM 26517 H HG23 . ILE B 1 17 ? 9.609 1.357 -1.482 1.00 0.00 ? 17 ILE B HG23 19 ATOM 26518 H HD11 . ILE B 1 17 ? 8.383 3.027 0.374 1.00 0.00 ? 17 ILE B HD11 19 ATOM 26519 H HD12 . ILE B 1 17 ? 7.646 3.878 -0.983 1.00 0.00 ? 17 ILE B HD12 19 ATOM 26520 H HD13 . ILE B 1 17 ? 6.854 3.880 0.592 1.00 0.00 ? 17 ILE B HD13 19 ATOM 26521 N N . GLU B 1 18 ? 6.401 0.232 -3.882 1.00 0.00 ? 18 GLU B N 19 ATOM 26522 C CA . GLU B 1 18 ? 5.669 0.712 -5.046 1.00 0.00 ? 18 GLU B CA 19 ATOM 26523 C C . GLU B 1 18 ? 4.632 -0.313 -5.490 1.00 0.00 ? 18 GLU B C 19 ATOM 26524 O O . GLU B 1 18 ? 3.573 0.043 -6.010 1.00 0.00 ? 18 GLU B O 19 ATOM 26525 C CB . GLU B 1 18 ? 6.632 1.012 -6.195 1.00 0.00 ? 18 GLU B CB 19 ATOM 26526 C CG . GLU B 1 18 ? 5.938 1.436 -7.478 1.00 0.00 ? 18 GLU B CG 19 ATOM 26527 C CD . GLU B 1 18 ? 5.722 0.279 -8.433 1.00 0.00 ? 18 GLU B CD 19 ATOM 26528 O OE1 . GLU B 1 18 ? 5.677 -0.878 -7.964 1.00 0.00 ? 18 GLU B OE1 19 ATOM 26529 O OE2 . GLU B 1 18 ? 5.598 0.529 -9.651 1.00 0.00 ? 18 GLU B OE2 19 ATOM 26530 H H . GLU B 1 18 ? 7.294 -0.153 -4.005 1.00 0.00 ? 18 GLU B H 19 ATOM 26531 H HA . GLU B 1 18 ? 5.161 1.623 -4.765 1.00 0.00 ? 18 GLU B HA 19 ATOM 26532 H HB2 . GLU B 1 18 ? 7.299 1.807 -5.892 1.00 0.00 ? 18 GLU B HB2 19 ATOM 26533 H HB3 . GLU B 1 18 ? 7.215 0.126 -6.401 1.00 0.00 ? 18 GLU B HB3 19 ATOM 26534 H HG2 . GLU B 1 18 ? 4.977 1.860 -7.229 1.00 0.00 ? 18 GLU B HG2 19 ATOM 26535 H HG3 . GLU B 1 18 ? 6.543 2.183 -7.970 1.00 0.00 ? 18 GLU B HG3 19 ATOM 26536 N N . ARG B 1 19 ? 4.940 -1.590 -5.278 1.00 0.00 ? 19 ARG B N 19 ATOM 26537 C CA . ARG B 1 19 ? 4.031 -2.664 -5.656 1.00 0.00 ? 19 ARG B CA 19 ATOM 26538 C C . ARG B 1 19 ? 2.860 -2.748 -4.687 1.00 0.00 ? 19 ARG B C 19 ATOM 26539 O O . ARG B 1 19 ? 1.717 -2.961 -5.096 1.00 0.00 ? 19 ARG B O 19 ATOM 26540 C CB . ARG B 1 19 ? 4.770 -4.002 -5.700 1.00 0.00 ? 19 ARG B CB 19 ATOM 26541 C CG . ARG B 1 19 ? 3.859 -5.192 -5.952 1.00 0.00 ? 19 ARG B CG 19 ATOM 26542 C CD . ARG B 1 19 ? 4.621 -6.360 -6.557 1.00 0.00 ? 19 ARG B CD 19 ATOM 26543 N NE . ARG B 1 19 ? 3.783 -7.547 -6.697 1.00 0.00 ? 19 ARG B NE 19 ATOM 26544 C CZ . ARG B 1 19 ? 3.517 -8.382 -5.697 1.00 0.00 ? 19 ARG B CZ 19 ATOM 26545 N NH1 . ARG B 1 19 ? 4.024 -8.159 -4.492 1.00 0.00 ? 19 ARG B NH1 19 ATOM 26546 N NH2 . ARG B 1 19 ? 2.745 -9.440 -5.902 1.00 0.00 ? 19 ARG B NH2 19 ATOM 26547 H H . ARG B 1 19 ? 5.797 -1.814 -4.855 1.00 0.00 ? 19 ARG B H 19 ATOM 26548 H HA . ARG B 1 19 ? 3.648 -2.440 -6.640 1.00 0.00 ? 19 ARG B HA 19 ATOM 26549 H HB2 . ARG B 1 19 ? 5.507 -3.968 -6.489 1.00 0.00 ? 19 ARG B HB2 19 ATOM 26550 H HB3 . ARG B 1 19 ? 5.273 -4.154 -4.757 1.00 0.00 ? 19 ARG B HB3 19 ATOM 26551 H HG2 . ARG B 1 19 ? 3.425 -5.507 -5.015 1.00 0.00 ? 19 ARG B HG2 19 ATOM 26552 H HG3 . ARG B 1 19 ? 3.074 -4.895 -6.631 1.00 0.00 ? 19 ARG B HG3 19 ATOM 26553 H HD2 . ARG B 1 19 ? 4.983 -6.070 -7.533 1.00 0.00 ? 19 ARG B HD2 19 ATOM 26554 H HD3 . ARG B 1 19 ? 5.460 -6.596 -5.918 1.00 0.00 ? 19 ARG B HD3 19 ATOM 26555 H HE . ARG B 1 19 ? 3.399 -7.731 -7.580 1.00 0.00 ? 19 ARG B HE 19 ATOM 26556 H HH11 . ARG B 1 19 ? 4.606 -7.362 -4.334 1.00 0.00 ? 19 ARG B HH11 19 ATOM 26557 H HH12 . ARG B 1 19 ? 3.822 -8.789 -3.741 1.00 0.00 ? 19 ARG B HH12 19 ATOM 26558 H HH21 . ARG B 1 19 ? 2.361 -9.611 -6.809 1.00 0.00 ? 19 ARG B HH21 19 ATOM 26559 H HH22 . ARG B 1 19 ? 2.546 -10.067 -5.149 1.00 0.00 ? 19 ARG B HH22 19 ATOM 26560 N N . LEU B 1 20 ? 3.143 -2.573 -3.400 1.00 0.00 ? 20 LEU B N 19 ATOM 26561 C CA . LEU B 1 20 ? 2.099 -2.624 -2.390 1.00 0.00 ? 20 LEU B CA 19 ATOM 26562 C C . LEU B 1 20 ? 1.203 -1.400 -2.505 1.00 0.00 ? 20 LEU B C 19 ATOM 26563 O O . LEU B 1 20 ? -0.002 -1.476 -2.272 1.00 0.00 ? 20 LEU B O 19 ATOM 26564 C CB . LEU B 1 20 ? 2.704 -2.710 -0.988 1.00 0.00 ? 20 LEU B CB 19 ATOM 26565 C CG . LEU B 1 20 ? 3.669 -3.877 -0.770 1.00 0.00 ? 20 LEU B CG 19 ATOM 26566 C CD1 . LEU B 1 20 ? 4.730 -3.507 0.256 1.00 0.00 ? 20 LEU B CD1 19 ATOM 26567 C CD2 . LEU B 1 20 ? 2.910 -5.119 -0.330 1.00 0.00 ? 20 LEU B CD2 19 ATOM 26568 H H . LEU B 1 20 ? 4.069 -2.397 -3.124 1.00 0.00 ? 20 LEU B H 19 ATOM 26569 H HA . LEU B 1 20 ? 1.505 -3.508 -2.573 1.00 0.00 ? 20 LEU B HA 19 ATOM 26570 H HB2 . LEU B 1 20 ? 3.231 -1.789 -0.789 1.00 0.00 ? 20 LEU B HB2 19 ATOM 26571 H HB3 . LEU B 1 20 ? 1.897 -2.806 -0.279 1.00 0.00 ? 20 LEU B HB3 19 ATOM 26572 H HG . LEU B 1 20 ? 4.169 -4.101 -1.701 1.00 0.00 ? 20 LEU B HG 19 ATOM 26573 H HD11 . LEU B 1 20 ? 4.862 -2.435 0.267 1.00 0.00 ? 20 LEU B HD11 19 ATOM 26574 H HD12 . LEU B 1 20 ? 4.415 -3.841 1.234 1.00 0.00 ? 20 LEU B HD12 19 ATOM 26575 H HD13 . LEU B 1 20 ? 5.663 -3.983 -0.004 1.00 0.00 ? 20 LEU B HD13 19 ATOM 26576 H HD21 . LEU B 1 20 ? 1.894 -4.851 -0.080 1.00 0.00 ? 20 LEU B HD21 19 ATOM 26577 H HD22 . LEU B 1 20 ? 2.903 -5.841 -1.134 1.00 0.00 ? 20 LEU B HD22 19 ATOM 26578 H HD23 . LEU B 1 20 ? 3.392 -5.549 0.536 1.00 0.00 ? 20 LEU B HD23 19 ATOM 26579 N N . GLN B 1 21 ? 1.801 -0.271 -2.874 1.00 0.00 ? 21 GLN B N 19 ATOM 26580 C CA . GLN B 1 21 ? 1.057 0.971 -3.031 1.00 0.00 ? 21 GLN B CA 19 ATOM 26581 C C . GLN B 1 21 ? 0.029 0.839 -4.149 1.00 0.00 ? 21 GLN B C 19 ATOM 26582 O O . GLN B 1 21 ? -1.114 1.274 -4.009 1.00 0.00 ? 21 GLN B O 19 ATOM 26583 C CB . GLN B 1 21 ? 2.009 2.130 -3.329 1.00 0.00 ? 21 GLN B CB 19 ATOM 26584 C CG . GLN B 1 21 ? 2.596 2.772 -2.083 1.00 0.00 ? 21 GLN B CG 19 ATOM 26585 C CD . GLN B 1 21 ? 1.812 3.989 -1.630 1.00 0.00 ? 21 GLN B CD 19 ATOM 26586 O OE1 . GLN B 1 21 ? 2.389 4.984 -1.191 1.00 0.00 ? 21 GLN B OE1 19 ATOM 26587 N NE2 . GLN B 1 21 ? 0.491 3.914 -1.733 1.00 0.00 ? 21 GLN B NE2 19 ATOM 26588 H H . GLN B 1 21 ? 2.767 -0.275 -3.051 1.00 0.00 ? 21 GLN B H 19 ATOM 26589 H HA . GLN B 1 21 ? 0.540 1.167 -2.104 1.00 0.00 ? 21 GLN B HA 19 ATOM 26590 H HB2 . GLN B 1 21 ? 2.823 1.765 -3.937 1.00 0.00 ? 21 GLN B HB2 19 ATOM 26591 H HB3 . GLN B 1 21 ? 1.473 2.889 -3.881 1.00 0.00 ? 21 GLN B HB3 19 ATOM 26592 H HG2 . GLN B 1 21 ? 2.594 2.045 -1.285 1.00 0.00 ? 21 GLN B HG2 19 ATOM 26593 H HG3 . GLN B 1 21 ? 3.612 3.073 -2.292 1.00 0.00 ? 21 GLN B HG3 19 ATOM 26594 H HE21 . GLN B 1 21 ? 0.101 3.089 -2.092 1.00 0.00 ? 21 GLN B HE21 19 ATOM 26595 H HE22 . GLN B 1 21 ? -0.041 4.685 -1.448 1.00 0.00 ? 21 GLN B HE22 19 ATOM 26596 N N . LYS B 1 22 ? 0.439 0.230 -5.258 1.00 0.00 ? 22 LYS B N 19 ATOM 26597 C CA . LYS B 1 22 ? -0.456 0.038 -6.393 1.00 0.00 ? 22 LYS B CA 19 ATOM 26598 C C . LYS B 1 22 ? -1.648 -0.825 -5.994 1.00 0.00 ? 22 LYS B C 19 ATOM 26599 O O . LYS B 1 22 ? -2.794 -0.520 -6.333 1.00 0.00 ? 22 LYS B O 19 ATOM 26600 C CB . LYS B 1 22 ? 0.294 -0.611 -7.558 1.00 0.00 ? 22 LYS B CB 19 ATOM 26601 C CG . LYS B 1 22 ? -0.562 -0.807 -8.799 1.00 0.00 ? 22 LYS B CG 19 ATOM 26602 C CD . LYS B 1 22 ? -0.137 -2.039 -9.580 1.00 0.00 ? 22 LYS B CD 19 ATOM 26603 C CE . LYS B 1 22 ? -0.457 -3.317 -8.823 1.00 0.00 ? 22 LYS B CE 19 ATOM 26604 N NZ . LYS B 1 22 ? -0.315 -4.524 -9.683 1.00 0.00 ? 22 LYS B NZ 19 ATOM 26605 H H . LYS B 1 22 ? 1.362 -0.101 -5.312 1.00 0.00 ? 22 LYS B H 19 ATOM 26606 H HA . LYS B 1 22 ? -0.814 1.009 -6.701 1.00 0.00 ? 22 LYS B HA 19 ATOM 26607 H HB2 . LYS B 1 22 ? 1.135 0.012 -7.822 1.00 0.00 ? 22 LYS B HB2 19 ATOM 26608 H HB3 . LYS B 1 22 ? 0.659 -1.577 -7.242 1.00 0.00 ? 22 LYS B HB3 19 ATOM 26609 H HG2 . LYS B 1 22 ? -1.593 -0.922 -8.498 1.00 0.00 ? 22 LYS B HG2 19 ATOM 26610 H HG3 . LYS B 1 22 ? -0.464 0.063 -9.432 1.00 0.00 ? 22 LYS B HG3 19 ATOM 26611 H HD2 . LYS B 1 22 ? -0.659 -2.053 -10.525 1.00 0.00 ? 22 LYS B HD2 19 ATOM 26612 H HD3 . LYS B 1 22 ? 0.929 -1.993 -9.755 1.00 0.00 ? 22 LYS B HD3 19 ATOM 26613 H HE2 . LYS B 1 22 ? 0.218 -3.403 -7.984 1.00 0.00 ? 22 LYS B HE2 19 ATOM 26614 H HE3 . LYS B 1 22 ? -1.474 -3.261 -8.461 1.00 0.00 ? 22 LYS B HE3 19 ATOM 26615 H HZ1 . LYS B 1 22 ? -0.252 -4.244 -10.683 1.00 0.00 ? 22 LYS B HZ1 19 ATOM 26616 H HZ2 . LYS B 1 22 ? 0.546 -5.047 -9.426 1.00 0.00 ? 22 LYS B HZ2 19 ATOM 26617 H HZ3 . LYS B 1 22 ? -1.137 -5.150 -9.560 1.00 0.00 ? 22 LYS B HZ3 19 ATOM 26618 N N . GLU B 1 23 ? -1.370 -1.904 -5.271 1.00 0.00 ? 23 GLU B N 19 ATOM 26619 C CA . GLU B 1 23 ? -2.416 -2.814 -4.821 1.00 0.00 ? 23 GLU B CA 19 ATOM 26620 C C . GLU B 1 23 ? -3.450 -2.081 -3.971 1.00 0.00 ? 23 GLU B C 19 ATOM 26621 O O . GLU B 1 23 ? -4.654 -2.304 -4.112 1.00 0.00 ? 23 GLU B O 19 ATOM 26622 C CB . GLU B 1 23 ? -1.808 -3.969 -4.021 1.00 0.00 ? 23 GLU B CB 19 ATOM 26623 C CG . GLU B 1 23 ? -2.166 -5.341 -4.569 1.00 0.00 ? 23 GLU B CG 19 ATOM 26624 C CD . GLU B 1 23 ? -1.545 -6.467 -3.766 1.00 0.00 ? 23 GLU B CD 19 ATOM 26625 O OE1 . GLU B 1 23 ? -0.614 -6.193 -2.980 1.00 0.00 ? 23 GLU B OE1 19 ATOM 26626 O OE2 . GLU B 1 23 ? -1.990 -7.624 -3.923 1.00 0.00 ? 23 GLU B OE2 19 ATOM 26627 H H . GLU B 1 23 ? -0.437 -2.092 -5.031 1.00 0.00 ? 23 GLU B H 19 ATOM 26628 H HA . GLU B 1 23 ? -2.906 -3.213 -5.697 1.00 0.00 ? 23 GLU B HA 19 ATOM 26629 H HB2 . GLU B 1 23 ? -0.733 -3.870 -4.030 1.00 0.00 ? 23 GLU B HB2 19 ATOM 26630 H HB3 . GLU B 1 23 ? -2.159 -3.908 -3.002 1.00 0.00 ? 23 GLU B HB3 19 ATOM 26631 H HG2 . GLU B 1 23 ? -3.240 -5.454 -4.548 1.00 0.00 ? 23 GLU B HG2 19 ATOM 26632 H HG3 . GLU B 1 23 ? -1.817 -5.410 -5.588 1.00 0.00 ? 23 GLU B HG3 19 ATOM 26633 N N . ILE B 1 24 ? -2.977 -1.204 -3.089 1.00 0.00 ? 24 ILE B N 19 ATOM 26634 C CA . ILE B 1 24 ? -3.874 -0.447 -2.225 1.00 0.00 ? 24 ILE B CA 19 ATOM 26635 C C . ILE B 1 24 ? -4.753 0.482 -3.061 1.00 0.00 ? 24 ILE B C 19 ATOM 26636 O O . ILE B 1 24 ? -5.891 0.774 -2.697 1.00 0.00 ? 24 ILE B O 19 ATOM 26637 C CB . ILE B 1 24 ? -3.103 0.350 -1.129 1.00 0.00 ? 24 ILE B CB 19 ATOM 26638 C CG1 . ILE B 1 24 ? -2.705 1.759 -1.593 1.00 0.00 ? 24 ILE B CG1 19 ATOM 26639 C CG2 . ILE B 1 24 ? -1.866 -0.413 -0.682 1.00 0.00 ? 24 ILE B CG2 19 ATOM 26640 C CD1 . ILE B 1 24 ? -3.607 2.840 -1.040 1.00 0.00 ? 24 ILE B CD1 19 ATOM 26641 H H . ILE B 1 24 ? -2.009 -1.064 -3.021 1.00 0.00 ? 24 ILE B H 19 ATOM 26642 H HA . ILE B 1 24 ? -4.516 -1.161 -1.725 1.00 0.00 ? 24 ILE B HA 19 ATOM 26643 H HB . ILE B 1 24 ? -3.755 0.441 -0.272 1.00 0.00 ? 24 ILE B HB 19 ATOM 26644 H HG12 . ILE B 1 24 ? -1.697 1.969 -1.268 1.00 0.00 ? 24 ILE B HG12 19 ATOM 26645 H HG13 . ILE B 1 24 ? -2.750 1.806 -2.670 1.00 0.00 ? 24 ILE B HG13 19 ATOM 26646 H HG21 . ILE B 1 24 ? -1.874 -1.401 -1.112 1.00 0.00 ? 24 ILE B HG21 19 ATOM 26647 H HG22 . ILE B 1 24 ? -0.981 0.115 -1.005 1.00 0.00 ? 24 ILE B HG22 19 ATOM 26648 H HG23 . ILE B 1 24 ? -1.865 -0.489 0.392 1.00 0.00 ? 24 ILE B HG23 19 ATOM 26649 H HD11 . ILE B 1 24 ? -4.310 2.399 -0.346 1.00 0.00 ? 24 ILE B HD11 19 ATOM 26650 H HD12 . ILE B 1 24 ? -3.010 3.579 -0.528 1.00 0.00 ? 24 ILE B HD12 19 ATOM 26651 H HD13 . ILE B 1 24 ? -4.147 3.308 -1.850 1.00 0.00 ? 24 ILE B HD13 19 ATOM 26652 N N . GLU B 1 25 ? -4.210 0.934 -4.190 1.00 0.00 ? 25 GLU B N 19 ATOM 26653 C CA . GLU B 1 25 ? -4.939 1.817 -5.088 1.00 0.00 ? 25 GLU B CA 19 ATOM 26654 C C . GLU B 1 25 ? -6.177 1.112 -5.621 1.00 0.00 ? 25 GLU B C 19 ATOM 26655 O O . GLU B 1 25 ? -7.270 1.678 -5.637 1.00 0.00 ? 25 GLU B O 19 ATOM 26656 C CB . GLU B 1 25 ? -4.044 2.257 -6.248 1.00 0.00 ? 25 GLU B CB 19 ATOM 26657 C CG . GLU B 1 25 ? -4.706 3.261 -7.179 1.00 0.00 ? 25 GLU B CG 19 ATOM 26658 C CD . GLU B 1 25 ? -4.311 3.058 -8.628 1.00 0.00 ? 25 GLU B CD 19 ATOM 26659 O OE1 . GLU B 1 25 ? -3.228 2.489 -8.876 1.00 0.00 ? 25 GLU B OE1 19 ATOM 26660 O OE2 . GLU B 1 25 ? -5.088 3.468 -9.518 1.00 0.00 ? 25 GLU B OE2 19 ATOM 26661 H H . GLU B 1 25 ? -3.299 0.658 -4.425 1.00 0.00 ? 25 GLU B H 19 ATOM 26662 H HA . GLU B 1 25 ? -5.245 2.686 -4.525 1.00 0.00 ? 25 GLU B HA 19 ATOM 26663 H HB2 . GLU B 1 25 ? -3.148 2.708 -5.846 1.00 0.00 ? 25 GLU B HB2 19 ATOM 26664 H HB3 . GLU B 1 25 ? -3.770 1.388 -6.827 1.00 0.00 ? 25 GLU B HB3 19 ATOM 26665 H HG2 . GLU B 1 25 ? -5.777 3.159 -7.095 1.00 0.00 ? 25 GLU B HG2 19 ATOM 26666 H HG3 . GLU B 1 25 ? -4.416 4.257 -6.878 1.00 0.00 ? 25 GLU B HG3 19 ATOM 26667 N N . ARG B 1 26 ? -5.999 -0.136 -6.045 1.00 0.00 ? 26 ARG B N 19 ATOM 26668 C CA . ARG B 1 26 ? -7.107 -0.927 -6.564 1.00 0.00 ? 26 ARG B CA 19 ATOM 26669 C C . ARG B 1 26 ? -8.212 -1.027 -5.520 1.00 0.00 ? 26 ARG B C 19 ATOM 26670 O O . ARG B 1 26 ? -9.380 -0.748 -5.803 1.00 0.00 ? 26 ARG B O 19 ATOM 26671 C CB . ARG B 1 26 ? -6.627 -2.325 -6.957 1.00 0.00 ? 26 ARG B CB 19 ATOM 26672 C CG . ARG B 1 26 ? -7.243 -2.840 -8.248 1.00 0.00 ? 26 ARG B CG 19 ATOM 26673 C CD . ARG B 1 26 ? -7.496 -4.337 -8.187 1.00 0.00 ? 26 ARG B CD 19 ATOM 26674 N NE . ARG B 1 26 ? -6.294 -5.108 -8.486 1.00 0.00 ? 26 ARG B NE 19 ATOM 26675 C CZ . ARG B 1 26 ? -6.256 -6.436 -8.501 1.00 0.00 ? 26 ARG B CZ 19 ATOM 26676 N NH1 . ARG B 1 26 ? -7.351 -7.136 -8.234 1.00 0.00 ? 26 ARG B NH1 19 ATOM 26677 N NH2 . ARG B 1 26 ? -5.125 -7.067 -8.782 1.00 0.00 ? 26 ARG B NH2 19 ATOM 26678 H H . ARG B 1 26 ? -5.104 -0.536 -5.998 1.00 0.00 ? 26 ARG B H 19 ATOM 26679 H HA . ARG B 1 26 ? -7.495 -0.426 -7.439 1.00 0.00 ? 26 ARG B HA 19 ATOM 26680 H HB2 . ARG B 1 26 ? -5.554 -2.304 -7.079 1.00 0.00 ? 26 ARG B HB2 19 ATOM 26681 H HB3 . ARG B 1 26 ? -6.877 -3.016 -6.165 1.00 0.00 ? 26 ARG B HB3 19 ATOM 26682 H HG2 . ARG B 1 26 ? -8.181 -2.332 -8.415 1.00 0.00 ? 26 ARG B HG2 19 ATOM 26683 H HG3 . ARG B 1 26 ? -6.568 -2.630 -9.065 1.00 0.00 ? 26 ARG B HG3 19 ATOM 26684 H HD2 . ARG B 1 26 ? -7.838 -4.591 -7.194 1.00 0.00 ? 26 ARG B HD2 19 ATOM 26685 H HD3 . ARG B 1 26 ? -8.263 -4.589 -8.906 1.00 0.00 ? 26 ARG B HD3 19 ATOM 26686 H HE . ARG B 1 26 ? -5.473 -4.611 -8.685 1.00 0.00 ? 26 ARG B HE 19 ATOM 26687 H HH11 . ARG B 1 26 ? -8.207 -6.664 -8.022 1.00 0.00 ? 26 ARG B HH11 19 ATOM 26688 H HH12 . ARG B 1 26 ? -7.321 -8.136 -8.246 1.00 0.00 ? 26 ARG B HH12 19 ATOM 26689 H HH21 . ARG B 1 26 ? -4.297 -6.543 -8.984 1.00 0.00 ? 26 ARG B HH21 19 ATOM 26690 H HH22 . ARG B 1 26 ? -5.098 -8.067 -8.793 1.00 0.00 ? 26 ARG B HH22 19 ATOM 26691 N N . HIS B 1 27 ? -7.833 -1.412 -4.304 1.00 0.00 ? 27 HIS B N 19 ATOM 26692 C CA . HIS B 1 27 ? -8.791 -1.531 -3.214 1.00 0.00 ? 27 HIS B CA 19 ATOM 26693 C C . HIS B 1 27 ? -9.362 -0.162 -2.849 1.00 0.00 ? 27 HIS B C 19 ATOM 26694 O O . HIS B 1 27 ? -10.424 -0.067 -2.235 1.00 0.00 ? 27 HIS B O 19 ATOM 26695 C CB . HIS B 1 27 ? -8.128 -2.164 -1.989 1.00 0.00 ? 27 HIS B CB 19 ATOM 26696 C CG . HIS B 1 27 ? -8.335 -3.644 -1.898 1.00 0.00 ? 27 HIS B CG 19 ATOM 26697 N ND1 . HIS B 1 27 ? -9.582 -4.233 -1.920 1.00 0.00 ? 27 HIS B ND1 19 ATOM 26698 C CD2 . HIS B 1 27 ? -7.445 -4.659 -1.785 1.00 0.00 ? 27 HIS B CD2 19 ATOM 26699 C CE1 . HIS B 1 27 ? -9.450 -5.545 -1.823 1.00 0.00 ? 27 HIS B CE1 19 ATOM 26700 N NE2 . HIS B 1 27 ? -8.164 -5.828 -1.741 1.00 0.00 ? 27 HIS B NE2 19 ATOM 26701 H H . HIS B 1 27 ? -6.887 -1.608 -4.133 1.00 0.00 ? 27 HIS B H 19 ATOM 26702 H HA . HIS B 1 27 ? -9.597 -2.167 -3.547 1.00 0.00 ? 27 HIS B HA 19 ATOM 26703 H HB2 . HIS B 1 27 ? -7.066 -1.980 -2.028 1.00 0.00 ? 27 HIS B HB2 19 ATOM 26704 H HB3 . HIS B 1 27 ? -8.535 -1.715 -1.096 1.00 0.00 ? 27 HIS B HB3 19 ATOM 26705 H HD1 . HIS B 1 27 ? -10.437 -3.760 -1.996 1.00 0.00 ? 27 HIS B HD1 19 ATOM 26706 H HD2 . HIS B 1 27 ? -6.369 -4.566 -1.738 1.00 0.00 ? 27 HIS B HD2 19 ATOM 26707 H HE1 . HIS B 1 27 ? -10.257 -6.262 -1.815 1.00 0.00 ? 27 HIS B HE1 19 ATOM 26708 H HE2 . HIS B 1 27 ? -7.786 -6.728 -1.661 1.00 0.00 ? 27 HIS B HE2 19 ATOM 26709 N N . LYS B 1 28 ? -8.650 0.897 -3.234 1.00 0.00 ? 28 LYS B N 19 ATOM 26710 C CA . LYS B 1 28 ? -9.086 2.258 -2.950 1.00 0.00 ? 28 LYS B CA 19 ATOM 26711 C C . LYS B 1 28 ? -10.143 2.706 -3.952 1.00 0.00 ? 28 LYS B C 19 ATOM 26712 O O . LYS B 1 28 ? -10.975 3.560 -3.652 1.00 0.00 ? 28 LYS B O 19 ATOM 26713 C CB . LYS B 1 28 ? -7.894 3.216 -2.989 1.00 0.00 ? 28 LYS B CB 19 ATOM 26714 C CG . LYS B 1 28 ? -8.257 4.653 -2.652 1.00 0.00 ? 28 LYS B CG 19 ATOM 26715 C CD . LYS B 1 28 ? -7.122 5.607 -2.989 1.00 0.00 ? 28 LYS B CD 19 ATOM 26716 C CE . LYS B 1 28 ? -7.447 6.449 -4.211 1.00 0.00 ? 28 LYS B CE 19 ATOM 26717 N NZ . LYS B 1 28 ? -6.956 7.848 -4.069 1.00 0.00 ? 28 LYS B NZ 19 ATOM 26718 H H . LYS B 1 28 ? -7.813 0.761 -3.722 1.00 0.00 ? 28 LYS B H 19 ATOM 26719 H HA . LYS B 1 28 ? -9.516 2.269 -1.962 1.00 0.00 ? 28 LYS B HA 19 ATOM 26720 H HB2 . LYS B 1 28 ? -7.152 2.878 -2.280 1.00 0.00 ? 28 LYS B HB2 19 ATOM 26721 H HB3 . LYS B 1 28 ? -7.465 3.198 -3.980 1.00 0.00 ? 28 LYS B HB3 19 ATOM 26722 H HG2 . LYS B 1 28 ? -9.131 4.935 -3.219 1.00 0.00 ? 28 LYS B HG2 19 ATOM 26723 H HG3 . LYS B 1 28 ? -8.472 4.722 -1.595 1.00 0.00 ? 28 LYS B HG3 19 ATOM 26724 H HD2 . LYS B 1 28 ? -6.954 6.262 -2.147 1.00 0.00 ? 28 LYS B HD2 19 ATOM 26725 H HD3 . LYS B 1 28 ? -6.229 5.032 -3.186 1.00 0.00 ? 28 LYS B HD3 19 ATOM 26726 H HE2 . LYS B 1 28 ? -6.983 6.000 -5.077 1.00 0.00 ? 28 LYS B HE2 19 ATOM 26727 H HE3 . LYS B 1 28 ? -8.519 6.465 -4.347 1.00 0.00 ? 28 LYS B HE3 19 ATOM 26728 H HZ1 . LYS B 1 28 ? -7.373 8.289 -3.225 1.00 0.00 ? 28 LYS B HZ1 19 ATOM 26729 H HZ2 . LYS B 1 28 ? -5.921 7.854 -3.975 1.00 0.00 ? 28 LYS B HZ2 19 ATOM 26730 H HZ3 . LYS B 1 28 ? -7.220 8.406 -4.907 1.00 0.00 ? 28 LYS B HZ3 19 ATOM 26731 N N . GLN B 1 29 ? -10.104 2.120 -5.144 1.00 0.00 ? 29 GLN B N 19 ATOM 26732 C CA . GLN B 1 29 ? -11.062 2.456 -6.189 1.00 0.00 ? 29 GLN B CA 19 ATOM 26733 C C . GLN B 1 29 ? -12.406 1.794 -5.912 1.00 0.00 ? 29 GLN B C 19 ATOM 26734 O O . GLN B 1 29 ? -13.461 2.388 -6.135 1.00 0.00 ? 29 GLN B O 19 ATOM 26735 C CB . GLN B 1 29 ? -10.534 2.018 -7.556 1.00 0.00 ? 29 GLN B CB 19 ATOM 26736 C CG . GLN B 1 29 ? -11.303 2.613 -8.724 1.00 0.00 ? 29 GLN B CG 19 ATOM 26737 C CD . GLN B 1 29 ? -11.184 1.781 -9.986 1.00 0.00 ? 29 GLN B CD 19 ATOM 26738 O OE1 . GLN B 1 29 ? -11.793 0.718 -10.102 1.00 0.00 ? 29 GLN B OE1 19 ATOM 26739 N NE2 . GLN B 1 29 ? -10.395 2.261 -10.940 1.00 0.00 ? 29 GLN B NE2 19 ATOM 26740 H H . GLN B 1 29 ? -9.418 1.443 -5.323 1.00 0.00 ? 29 GLN B H 19 ATOM 26741 H HA . GLN B 1 29 ? -11.194 3.527 -6.187 1.00 0.00 ? 29 GLN B HA 19 ATOM 26742 H HB2 . GLN B 1 29 ? -9.500 2.318 -7.644 1.00 0.00 ? 29 GLN B HB2 19 ATOM 26743 H HB3 . GLN B 1 29 ? -10.595 0.942 -7.625 1.00 0.00 ? 29 GLN B HB3 19 ATOM 26744 H HG2 . GLN B 1 29 ? -12.346 2.682 -8.455 1.00 0.00 ? 29 GLN B HG2 19 ATOM 26745 H HG3 . GLN B 1 29 ? -10.918 3.603 -8.925 1.00 0.00 ? 29 GLN B HG3 19 ATOM 26746 H HE21 . GLN B 1 29 ? -9.940 3.115 -10.778 1.00 0.00 ? 29 GLN B HE21 19 ATOM 26747 H HE22 . GLN B 1 29 ? -10.299 1.745 -11.766 1.00 0.00 ? 29 GLN B HE22 19 ATOM 26748 N N . SER B 1 30 ? -12.357 0.561 -5.418 1.00 0.00 ? 30 SER B N 19 ATOM 26749 C CA . SER B 1 30 ? -13.572 -0.182 -5.104 1.00 0.00 ? 30 SER B CA 19 ATOM 26750 C C . SER B 1 30 ? -14.246 0.381 -3.857 1.00 0.00 ? 30 SER B C 19 ATOM 26751 O O . SER B 1 30 ? -15.470 0.505 -3.803 1.00 0.00 ? 30 SER B O 19 ATOM 26752 C CB . SER B 1 30 ? -13.251 -1.664 -4.902 1.00 0.00 ? 30 SER B CB 19 ATOM 26753 O OG . SER B 1 30 ? -14.222 -2.487 -5.526 1.00 0.00 ? 30 SER B OG 19 ATOM 26754 H H . SER B 1 30 ? -11.484 0.141 -5.260 1.00 0.00 ? 30 SER B H 19 ATOM 26755 H HA . SER B 1 30 ? -14.248 -0.080 -5.941 1.00 0.00 ? 30 SER B HA 19 ATOM 26756 H HB2 . SER B 1 30 ? -12.284 -1.882 -5.329 1.00 0.00 ? 30 SER B HB2 19 ATOM 26757 H HB3 . SER B 1 30 ? -13.235 -1.885 -3.845 1.00 0.00 ? 30 SER B HB3 19 ATOM 26758 H HG . SER B 1 30 ? -13.816 -3.314 -5.795 1.00 0.00 ? 30 SER B HG 19 ATOM 26759 N N . ILE B 1 31 ? -13.440 0.721 -2.855 1.00 0.00 ? 31 ILE B N 19 ATOM 26760 C CA . ILE B 1 31 ? -13.961 1.270 -1.609 1.00 0.00 ? 31 ILE B CA 19 ATOM 26761 C C . ILE B 1 31 ? -14.365 2.729 -1.783 1.00 0.00 ? 31 ILE B C 19 ATOM 26762 O O . ILE B 1 31 ? -15.246 3.228 -1.084 1.00 0.00 ? 31 ILE B O 19 ATOM 26763 C CB . ILE B 1 31 ? -12.922 1.156 -0.478 1.00 0.00 ? 31 ILE B CB 19 ATOM 26764 C CG1 . ILE B 1 31 ? -13.476 1.716 0.832 1.00 0.00 ? 31 ILE B CG1 19 ATOM 26765 C CG2 . ILE B 1 31 ? -11.640 1.877 -0.861 1.00 0.00 ? 31 ILE B CG2 19 ATOM 26766 C CD1 . ILE B 1 31 ? -14.397 0.760 1.553 1.00 0.00 ? 31 ILE B CD1 19 ATOM 26767 H H . ILE B 1 31 ? -12.471 0.600 -2.956 1.00 0.00 ? 31 ILE B H 19 ATOM 26768 H HA . ILE B 1 31 ? -14.833 0.697 -1.331 1.00 0.00 ? 31 ILE B HA 19 ATOM 26769 H HB . ILE B 1 31 ? -12.691 0.111 -0.341 1.00 0.00 ? 31 ILE B HB 19 ATOM 26770 H HG12 . ILE B 1 31 ? -12.652 1.943 1.493 1.00 0.00 ? 31 ILE B HG12 19 ATOM 26771 H HG13 . ILE B 1 31 ? -14.028 2.621 0.627 1.00 0.00 ? 31 ILE B HG13 19 ATOM 26772 H HG21 . ILE B 1 31 ? -11.613 2.019 -1.932 1.00 0.00 ? 31 ILE B HG21 19 ATOM 26773 H HG22 . ILE B 1 31 ? -11.608 2.839 -0.370 1.00 0.00 ? 31 ILE B HG22 19 ATOM 26774 H HG23 . ILE B 1 31 ? -10.789 1.287 -0.554 1.00 0.00 ? 31 ILE B HG23 19 ATOM 26775 H HD11 . ILE B 1 31 ? -15.071 0.303 0.843 1.00 0.00 ? 31 ILE B HD11 19 ATOM 26776 H HD12 . ILE B 1 31 ? -13.810 -0.007 2.036 1.00 0.00 ? 31 ILE B HD12 19 ATOM 26777 H HD13 . ILE B 1 31 ? -14.965 1.298 2.296 1.00 0.00 ? 31 ILE B HD13 19 ATOM 26778 N N . LYS B 1 32 ? -13.721 3.406 -2.728 1.00 0.00 ? 32 LYS B N 19 ATOM 26779 C CA . LYS B 1 32 ? -14.022 4.805 -3.002 1.00 0.00 ? 32 LYS B CA 19 ATOM 26780 C C . LYS B 1 32 ? -15.263 4.924 -3.880 1.00 0.00 ? 32 LYS B C 19 ATOM 26781 O O . LYS B 1 32 ? -15.957 5.940 -3.857 1.00 0.00 ? 32 LYS B O 19 ATOM 26782 C CB . LYS B 1 32 ? -12.833 5.483 -3.685 1.00 0.00 ? 32 LYS B CB 19 ATOM 26783 C CG . LYS B 1 32 ? -13.106 6.921 -4.096 1.00 0.00 ? 32 LYS B CG 19 ATOM 26784 C CD . LYS B 1 32 ? -11.898 7.545 -4.775 1.00 0.00 ? 32 LYS B CD 19 ATOM 26785 C CE . LYS B 1 32 ? -11.414 6.697 -5.941 1.00 0.00 ? 32 LYS B CE 19 ATOM 26786 N NZ . LYS B 1 32 ? -10.415 7.421 -6.776 1.00 0.00 ? 32 LYS B NZ 19 ATOM 26787 H H . LYS B 1 32 ? -13.034 2.951 -3.258 1.00 0.00 ? 32 LYS B H 19 ATOM 26788 H HA . LYS B 1 32 ? -14.213 5.295 -2.059 1.00 0.00 ? 32 LYS B HA 19 ATOM 26789 H HB2 . LYS B 1 32 ? -11.993 5.479 -3.006 1.00 0.00 ? 32 LYS B HB2 19 ATOM 26790 H HB3 . LYS B 1 32 ? -12.572 4.922 -4.570 1.00 0.00 ? 32 LYS B HB3 19 ATOM 26791 H HG2 . LYS B 1 32 ? -13.939 6.936 -4.782 1.00 0.00 ? 32 LYS B HG2 19 ATOM 26792 H HG3 . LYS B 1 32 ? -13.351 7.496 -3.215 1.00 0.00 ? 32 LYS B HG3 19 ATOM 26793 H HD2 . LYS B 1 32 ? -12.170 8.523 -5.143 1.00 0.00 ? 32 LYS B HD2 19 ATOM 26794 H HD3 . LYS B 1 32 ? -11.100 7.639 -4.052 1.00 0.00 ? 32 LYS B HD3 19 ATOM 26795 H HE2 . LYS B 1 32 ? -10.960 5.799 -5.551 1.00 0.00 ? 32 LYS B HE2 19 ATOM 26796 H HE3 . LYS B 1 32 ? -12.262 6.435 -6.555 1.00 0.00 ? 32 LYS B HE3 19 ATOM 26797 H HZ1 . LYS B 1 32 ? -9.590 7.685 -6.199 1.00 0.00 ? 32 LYS B HZ1 19 ATOM 26798 H HZ2 . LYS B 1 32 ? -10.098 6.814 -7.558 1.00 0.00 ? 32 LYS B HZ2 19 ATOM 26799 H HZ3 . LYS B 1 32 ? -10.838 8.284 -7.171 1.00 0.00 ? 32 LYS B HZ3 19 ATOM 26800 N N . LYS B 1 33 ? -15.538 3.875 -4.651 1.00 0.00 ? 33 LYS B N 19 ATOM 26801 C CA . LYS B 1 33 ? -16.696 3.857 -5.534 1.00 0.00 ? 33 LYS B CA 19 ATOM 26802 C C . LYS B 1 33 ? -17.974 3.585 -4.748 1.00 0.00 ? 33 LYS B C 19 ATOM 26803 O O . LYS B 1 33 ? -19.010 4.204 -4.996 1.00 0.00 ? 33 LYS B O 19 ATOM 26804 C CB . LYS B 1 33 ? -16.518 2.799 -6.624 1.00 0.00 ? 33 LYS B CB 19 ATOM 26805 C CG . LYS B 1 33 ? -15.720 3.286 -7.821 1.00 0.00 ? 33 LYS B CG 19 ATOM 26806 C CD . LYS B 1 33 ? -15.319 2.135 -8.730 1.00 0.00 ? 33 LYS B CD 19 ATOM 26807 C CE . LYS B 1 33 ? -15.697 2.410 -10.176 1.00 0.00 ? 33 LYS B CE 19 ATOM 26808 N NZ . LYS B 1 33 ? -17.160 2.252 -10.407 1.00 0.00 ? 33 LYS B NZ 19 ATOM 26809 H H . LYS B 1 33 ? -14.948 3.093 -4.623 1.00 0.00 ? 33 LYS B H 19 ATOM 26810 H HA . LYS B 1 33 ? -16.773 4.829 -5.998 1.00 0.00 ? 33 LYS B HA 19 ATOM 26811 H HB2 . LYS B 1 33 ? -16.006 1.946 -6.200 1.00 0.00 ? 33 LYS B HB2 19 ATOM 26812 H HB3 . LYS B 1 33 ? -17.493 2.487 -6.970 1.00 0.00 ? 33 LYS B HB3 19 ATOM 26813 H HG2 . LYS B 1 33 ? -16.324 3.982 -8.384 1.00 0.00 ? 33 LYS B HG2 19 ATOM 26814 H HG3 . LYS B 1 33 ? -14.828 3.783 -7.469 1.00 0.00 ? 33 LYS B HG3 19 ATOM 26815 H HD2 . LYS B 1 33 ? -14.250 1.995 -8.668 1.00 0.00 ? 33 LYS B HD2 19 ATOM 26816 H HD3 . LYS B 1 33 ? -15.821 1.237 -8.399 1.00 0.00 ? 33 LYS B HD3 19 ATOM 26817 H HE2 . LYS B 1 33 ? -15.410 3.420 -10.425 1.00 0.00 ? 33 LYS B HE2 19 ATOM 26818 H HE3 . LYS B 1 33 ? -15.163 1.718 -10.812 1.00 0.00 ? 33 LYS B HE3 19 ATOM 26819 H HZ1 . LYS B 1 33 ? -17.680 2.397 -9.519 1.00 0.00 ? 33 LYS B HZ1 19 ATOM 26820 H HZ2 . LYS B 1 33 ? -17.488 2.948 -11.106 1.00 0.00 ? 33 LYS B HZ2 19 ATOM 26821 H HZ3 . LYS B 1 33 ? -17.365 1.297 -10.764 1.00 0.00 ? 33 LYS B HZ3 19 ATOM 26822 N N . LEU B 1 34 ? -17.897 2.658 -3.797 1.00 0.00 ? 34 LEU B N 19 ATOM 26823 C CA . LEU B 1 34 ? -19.053 2.312 -2.978 1.00 0.00 ? 34 LEU B CA 19 ATOM 26824 C C . LEU B 1 34 ? -19.317 3.389 -1.932 1.00 0.00 ? 34 LEU B C 19 ATOM 26825 O O . LEU B 1 34 ? -20.464 3.638 -1.559 1.00 0.00 ? 34 LEU B O 19 ATOM 26826 C CB . LEU B 1 34 ? -18.840 0.960 -2.296 1.00 0.00 ? 34 LEU B CB 19 ATOM 26827 C CG . LEU B 1 34 ? -20.030 0.003 -2.373 1.00 0.00 ? 34 LEU B CG 19 ATOM 26828 C CD1 . LEU B 1 34 ? -19.738 -1.277 -1.606 1.00 0.00 ? 34 LEU B CD1 19 ATOM 26829 C CD2 . LEU B 1 34 ? -21.288 0.672 -1.838 1.00 0.00 ? 34 LEU B CD2 19 ATOM 26830 H H . LEU B 1 34 ? -17.043 2.197 -3.642 1.00 0.00 ? 34 LEU B H 19 ATOM 26831 H HA . LEU B 1 34 ? -19.911 2.245 -3.630 1.00 0.00 ? 34 LEU B HA 19 ATOM 26832 H HB2 . LEU B 1 34 ? -17.986 0.479 -2.753 1.00 0.00 ? 34 LEU B HB2 19 ATOM 26833 H HB3 . LEU B 1 34 ? -18.617 1.136 -1.254 1.00 0.00 ? 34 LEU B HB3 19 ATOM 26834 H HG . LEU B 1 34 ? -20.205 -0.261 -3.407 1.00 0.00 ? 34 LEU B HG 19 ATOM 26835 H HD11 . LEU B 1 34 ? -18.791 -1.183 -1.096 1.00 0.00 ? 34 LEU B HD11 19 ATOM 26836 H HD12 . LEU B 1 34 ? -20.521 -1.451 -0.883 1.00 0.00 ? 34 LEU B HD12 19 ATOM 26837 H HD13 . LEU B 1 34 ? -19.694 -2.108 -2.295 1.00 0.00 ? 34 LEU B HD13 19 ATOM 26838 H HD21 . LEU B 1 34 ? -21.332 1.692 -2.192 1.00 0.00 ? 34 LEU B HD21 19 ATOM 26839 H HD22 . LEU B 1 34 ? -22.158 0.134 -2.184 1.00 0.00 ? 34 LEU B HD22 19 ATOM 26840 H HD23 . LEU B 1 34 ? -21.268 0.667 -0.759 1.00 0.00 ? 34 LEU B HD23 19 ATOM 26841 N N . LYS B 1 35 ? -18.250 4.027 -1.464 1.00 0.00 ? 35 LYS B N 19 ATOM 26842 C CA . LYS B 1 35 ? -18.369 5.081 -0.463 1.00 0.00 ? 35 LYS B CA 19 ATOM 26843 C C . LYS B 1 35 ? -18.739 6.407 -1.118 1.00 0.00 ? 35 LYS B C 19 ATOM 26844 O O . LYS B 1 35 ? -19.348 7.273 -0.489 1.00 0.00 ? 35 LYS B O 19 ATOM 26845 C CB . LYS B 1 35 ? -17.059 5.229 0.313 1.00 0.00 ? 35 LYS B CB 19 ATOM 26846 C CG . LYS B 1 35 ? -17.097 6.322 1.369 1.00 0.00 ? 35 LYS B CG 19 ATOM 26847 C CD . LYS B 1 35 ? -15.700 6.806 1.721 1.00 0.00 ? 35 LYS B CD 19 ATOM 26848 C CE . LYS B 1 35 ? -15.305 8.019 0.893 1.00 0.00 ? 35 LYS B CE 19 ATOM 26849 N NZ . LYS B 1 35 ? -13.882 7.958 0.462 1.00 0.00 ? 35 LYS B NZ 19 ATOM 26850 H H . LYS B 1 35 ? -17.362 3.786 -1.801 1.00 0.00 ? 35 LYS B H 19 ATOM 26851 H HA . LYS B 1 35 ? -19.154 4.800 0.223 1.00 0.00 ? 35 LYS B HA 19 ATOM 26852 H HB2 . LYS B 1 35 ? -16.836 4.293 0.803 1.00 0.00 ? 35 LYS B HB2 19 ATOM 26853 H HB3 . LYS B 1 35 ? -16.265 5.459 -0.384 1.00 0.00 ? 35 LYS B HB3 19 ATOM 26854 H HG2 . LYS B 1 35 ? -17.671 7.155 0.989 1.00 0.00 ? 35 LYS B HG2 19 ATOM 26855 H HG3 . LYS B 1 35 ? -17.569 5.933 2.258 1.00 0.00 ? 35 LYS B HG3 19 ATOM 26856 H HD2 . LYS B 1 35 ? -15.675 7.073 2.766 1.00 0.00 ? 35 LYS B HD2 19 ATOM 26857 H HD3 . LYS B 1 35 ? -14.996 6.009 1.533 1.00 0.00 ? 35 LYS B HD3 19 ATOM 26858 H HE2 . LYS B 1 35 ? -15.936 8.062 0.017 1.00 0.00 ? 35 LYS B HE2 19 ATOM 26859 H HE3 . LYS B 1 35 ? -15.455 8.908 1.488 1.00 0.00 ? 35 LYS B HE3 19 ATOM 26860 H HZ1 . LYS B 1 35 ? -13.714 7.095 -0.095 1.00 0.00 ? 35 LYS B HZ1 19 ATOM 26861 H HZ2 . LYS B 1 35 ? -13.649 8.785 -0.124 1.00 0.00 ? 35 LYS B HZ2 19 ATOM 26862 H HZ3 . LYS B 1 35 ? -13.256 7.948 1.292 1.00 0.00 ? 35 LYS B HZ3 19 ATOM 26863 N N . GLN B 1 36 ? -18.370 6.557 -2.385 1.00 0.00 ? 36 GLN B N 19 ATOM 26864 C CA . GLN B 1 36 ? -18.666 7.775 -3.129 1.00 0.00 ? 36 GLN B CA 19 ATOM 26865 C C . GLN B 1 36 ? -20.093 7.747 -3.668 1.00 0.00 ? 36 GLN B C 19 ATOM 26866 O O . GLN B 1 36 ? -20.702 8.792 -3.896 1.00 0.00 ? 36 GLN B O 19 ATOM 26867 C CB . GLN B 1 36 ? -17.676 7.947 -4.283 1.00 0.00 ? 36 GLN B CB 19 ATOM 26868 C CG . GLN B 1 36 ? -17.968 9.154 -5.160 1.00 0.00 ? 36 GLN B CG 19 ATOM 26869 C CD . GLN B 1 36 ? -16.762 9.596 -5.964 1.00 0.00 ? 36 GLN B CD 19 ATOM 26870 O OE1 . GLN B 1 36 ? -16.540 10.789 -6.170 1.00 0.00 ? 36 GLN B OE1 19 ATOM 26871 N NE2 . GLN B 1 36 ? -15.972 8.631 -6.425 1.00 0.00 ? 36 GLN B NE2 19 ATOM 26872 H H . GLN B 1 36 ? -17.889 5.829 -2.832 1.00 0.00 ? 36 GLN B H 19 ATOM 26873 H HA . GLN B 1 36 ? -18.566 8.610 -2.452 1.00 0.00 ? 36 GLN B HA 19 ATOM 26874 H HB2 . GLN B 1 36 ? -16.682 8.059 -3.875 1.00 0.00 ? 36 GLN B HB2 19 ATOM 26875 H HB3 . GLN B 1 36 ? -17.705 7.063 -4.901 1.00 0.00 ? 36 GLN B HB3 19 ATOM 26876 H HG2 . GLN B 1 36 ? -18.764 8.902 -5.844 1.00 0.00 ? 36 GLN B HG2 19 ATOM 26877 H HG3 . GLN B 1 36 ? -18.282 9.974 -4.529 1.00 0.00 ? 36 GLN B HG3 19 ATOM 26878 H HE21 . GLN B 1 36 ? -16.210 7.703 -6.222 1.00 0.00 ? 36 GLN B HE21 19 ATOM 26879 H HE22 . GLN B 1 36 ? -15.185 8.889 -6.948 1.00 0.00 ? 36 GLN B HE22 19 ATOM 26880 N N . SER B 1 37 ? -20.619 6.543 -3.869 1.00 0.00 ? 37 SER B N 19 ATOM 26881 C CA . SER B 1 37 ? -21.975 6.378 -4.379 1.00 0.00 ? 37 SER B CA 19 ATOM 26882 C C . SER B 1 37 ? -23.002 6.588 -3.272 1.00 0.00 ? 37 SER B C 19 ATOM 26883 O O . SER B 1 37 ? -24.144 6.967 -3.535 1.00 0.00 ? 37 SER B O 19 ATOM 26884 C CB . SER B 1 37 ? -22.145 4.985 -4.990 1.00 0.00 ? 37 SER B CB 19 ATOM 26885 O OG . SER B 1 37 ? -21.738 4.969 -6.349 1.00 0.00 ? 37 SER B OG 19 ATOM 26886 H H . SER B 1 37 ? -20.084 5.747 -3.668 1.00 0.00 ? 37 SER B H 19 ATOM 26887 H HA . SER B 1 37 ? -22.133 7.120 -5.147 1.00 0.00 ? 37 SER B HA 19 ATOM 26888 H HB2 . SER B 1 37 ? -21.545 4.277 -4.440 1.00 0.00 ? 37 SER B HB2 19 ATOM 26889 H HB3 . SER B 1 37 ? -23.184 4.695 -4.935 1.00 0.00 ? 37 SER B HB3 19 ATOM 26890 H HG . SER B 1 37 ? -21.911 5.825 -6.747 1.00 0.00 ? 37 SER B HG 19 ATOM 26891 N N . GLU B 1 38 ? -22.589 6.344 -2.033 1.00 0.00 ? 38 GLU B N 19 ATOM 26892 C CA . GLU B 1 38 ? -23.474 6.507 -0.885 1.00 0.00 ? 38 GLU B CA 19 ATOM 26893 C C . GLU B 1 38 ? -23.496 7.959 -0.419 1.00 0.00 ? 38 GLU B C 19 ATOM 26894 O O . GLU B 1 38 ? -24.497 8.435 0.117 1.00 0.00 ? 38 GLU B O 19 ATOM 26895 C CB . GLU B 1 38 ? -23.030 5.597 0.262 1.00 0.00 ? 38 GLU B CB 19 ATOM 26896 C CG . GLU B 1 38 ? -23.870 5.751 1.519 1.00 0.00 ? 38 GLU B CG 19 ATOM 26897 C CD . GLU B 1 38 ? -23.083 5.469 2.784 1.00 0.00 ? 38 GLU B CD 19 ATOM 26898 O OE1 . GLU B 1 38 ? -22.033 4.799 2.693 1.00 0.00 ? 38 GLU B OE1 19 ATOM 26899 O OE2 . GLU B 1 38 ? -23.517 5.919 3.866 1.00 0.00 ? 38 GLU B OE2 19 ATOM 26900 H H . GLU B 1 38 ? -21.666 6.044 -1.887 1.00 0.00 ? 38 GLU B H 19 ATOM 26901 H HA . GLU B 1 38 ? -24.470 6.225 -1.192 1.00 0.00 ? 38 GLU B HA 19 ATOM 26902 H HB2 . GLU B 1 38 ? -23.093 4.570 -0.065 1.00 0.00 ? 38 GLU B HB2 19 ATOM 26903 H HB3 . GLU B 1 38 ? -22.004 5.825 0.510 1.00 0.00 ? 38 GLU B HB3 19 ATOM 26904 H HG2 . GLU B 1 38 ? -24.246 6.762 1.565 1.00 0.00 ? 38 GLU B HG2 19 ATOM 26905 H HG3 . GLU B 1 38 ? -24.701 5.061 1.468 1.00 0.00 ? 38 GLU B HG3 19 ATOM 26906 N N . ASP B 1 39 ? -22.385 8.659 -0.626 1.00 0.00 ? 39 ASP B N 19 ATOM 26907 C CA . ASP B 1 39 ? -22.277 10.057 -0.227 1.00 0.00 ? 39 ASP B CA 19 ATOM 26908 C C . ASP B 1 39 ? -22.775 10.981 -1.335 1.00 0.00 ? 39 ASP B C 19 ATOM 26909 O O . ASP B 1 39 ? -23.205 12.104 -1.074 1.00 0.00 ? 39 ASP B O 19 ATOM 26910 C CB . ASP B 1 39 ? -20.827 10.398 0.123 1.00 0.00 ? 39 ASP B CB 19 ATOM 26911 C CG . ASP B 1 39 ? -20.724 11.555 1.097 1.00 0.00 ? 39 ASP B CG 19 ATOM 26912 O OD1 . ASP B 1 39 ? -20.755 12.718 0.644 1.00 0.00 ? 39 ASP B OD1 19 ATOM 26913 O OD2 . ASP B 1 39 ? -20.612 11.296 2.315 1.00 0.00 ? 39 ASP B OD2 19 ATOM 26914 H H . ASP B 1 39 ? -21.620 8.224 -1.058 1.00 0.00 ? 39 ASP B H 19 ATOM 26915 H HA . ASP B 1 39 ? -22.892 10.201 0.648 1.00 0.00 ? 39 ASP B HA 19 ATOM 26916 H HB2 . ASP B 1 39 ? -20.358 9.534 0.568 1.00 0.00 ? 39 ASP B HB2 19 ATOM 26917 H HB3 . ASP B 1 39 ? -20.298 10.665 -0.781 1.00 0.00 ? 39 ASP B HB3 19 ATOM 26918 N N . ASP B 1 40 ? -22.715 10.498 -2.572 1.00 0.00 ? 40 ASP B N 19 ATOM 26919 C CA . ASP B 1 40 ? -23.160 11.280 -3.719 1.00 0.00 ? 40 ASP B CA 19 ATOM 26920 C C . ASP B 1 40 ? -24.636 11.644 -3.590 1.00 0.00 ? 40 ASP B C 19 ATOM 26921 O O . ASP B 1 40 ? -25.510 10.783 -3.699 1.00 0.00 ? 40 ASP B O 19 ATOM 26922 C CB . ASP B 1 40 ? -22.926 10.502 -5.015 1.00 0.00 ? 40 ASP B CB 19 ATOM 26923 C CG . ASP B 1 40 ? -21.567 10.783 -5.621 1.00 0.00 ? 40 ASP B CG 19 ATOM 26924 O OD1 . ASP B 1 40 ? -20.614 11.030 -4.853 1.00 0.00 ? 40 ASP B OD1 19 ATOM 26925 O OD2 . ASP B 1 40 ? -21.453 10.754 -6.864 1.00 0.00 ? 40 ASP B OD2 19 ATOM 26926 H H . ASP B 1 40 ? -22.363 9.595 -2.716 1.00 0.00 ? 40 ASP B H 19 ATOM 26927 H HA . ASP B 1 40 ? -22.579 12.189 -3.746 1.00 0.00 ? 40 ASP B HA 19 ATOM 26928 H HB2 . ASP B 1 40 ? -22.997 9.443 -4.810 1.00 0.00 ? 40 ASP B HB2 19 ATOM 26929 H HB3 . ASP B 1 40 ? -23.686 10.775 -5.734 1.00 0.00 ? 40 ASP B HB3 19 ATOM 26930 N N . ASP B 1 41 ? -24.907 12.925 -3.358 1.00 0.00 ? 41 ASP B N 19 ATOM 26931 C CA . ASP B 1 41 ? -26.276 13.402 -3.214 1.00 0.00 ? 41 ASP B CA 19 ATOM 26932 C C . ASP B 1 41 ? -26.675 14.277 -4.398 1.00 0.00 ? 41 ASP B C 19 ATOM 26933 O O . ASP B 1 41 ? -25.858 15.130 -4.804 1.00 0.00 ? 41 ASP B O 19 ATOM 26934 C CB . ASP B 1 41 ? -26.430 14.188 -1.911 1.00 0.00 ? 41 ASP B CB 19 ATOM 26935 C CG . ASP B 1 41 ? -27.577 13.677 -1.060 1.00 0.00 ? 41 ASP B CG 19 ATOM 26936 O OD1 . ASP B 1 41 ? -28.547 13.140 -1.633 1.00 0.00 ? 41 ASP B OD1 19 ATOM 26937 O OD2 . ASP B 1 41 ? -27.504 13.816 0.179 1.00 0.00 ? 41 ASP B OD2 19 ATOM 26938 O OXT . ASP B 1 41 ? -27.800 14.101 -4.910 1.00 0.00 ? 41 ASP B OXT 19 ATOM 26939 H H . ASP B 1 41 ? -24.167 13.562 -3.281 1.00 0.00 ? 41 ASP B H 19 ATOM 26940 H HA . ASP B 1 41 ? -26.926 12.540 -3.183 1.00 0.00 ? 41 ASP B HA 19 ATOM 26941 H HB2 . ASP B 1 41 ? -25.518 14.106 -1.338 1.00 0.00 ? 41 ASP B HB2 19 ATOM 26942 H HB3 . ASP B 1 41 ? -26.612 15.227 -2.142 1.00 0.00 ? 41 ASP B HB3 19 ATOM 26943 N N . ALA A 1 1 ? -28.676 -13.534 -0.582 1.00 0.00 ? 1 ALA A N 20 ATOM 26944 C CA . ALA A 1 1 ? -30.030 -12.960 -0.790 1.00 0.00 ? 1 ALA A CA 20 ATOM 26945 C C . ALA A 1 1 ? -30.087 -11.508 -0.330 1.00 0.00 ? 1 ALA A C 20 ATOM 26946 O O . ALA A 1 1 ? -30.320 -10.601 -1.129 1.00 0.00 ? 1 ALA A O 20 ATOM 26947 C CB . ALA A 1 1 ? -31.073 -13.788 -0.054 1.00 0.00 ? 1 ALA A CB 20 ATOM 26948 H H1 . ALA A 1 1 ? -27.988 -12.758 -0.664 1.00 0.00 ? 1 ALA A H1 20 ATOM 26949 H H2 . ALA A 1 1 ? -28.654 -13.957 0.368 1.00 0.00 ? 1 ALA A H2 20 ATOM 26950 H H3 . ALA A 1 1 ? -28.520 -14.255 -1.315 1.00 0.00 ? 1 ALA A H3 20 ATOM 26951 H HA . ALA A 1 1 ? -30.257 -13.000 -1.847 1.00 0.00 ? 1 ALA A HA 20 ATOM 26952 H HB1 . ALA A 1 1 ? -31.472 -14.540 -0.719 1.00 0.00 ? 1 ALA A HB1 20 ATOM 26953 H HB2 . ALA A 1 1 ? -31.873 -13.144 0.282 1.00 0.00 ? 1 ALA A HB2 20 ATOM 26954 H HB3 . ALA A 1 1 ? -30.616 -14.268 0.798 1.00 0.00 ? 1 ALA A HB3 20 ATOM 26955 N N . LEU A 1 2 ? -29.873 -11.294 0.964 1.00 0.00 ? 2 LEU A N 20 ATOM 26956 C CA . LEU A 1 2 ? -29.899 -9.951 1.532 1.00 0.00 ? 2 LEU A CA 20 ATOM 26957 C C . LEU A 1 2 ? -28.711 -9.130 1.040 1.00 0.00 ? 2 LEU A C 20 ATOM 26958 O O . LEU A 1 2 ? -27.714 -9.681 0.574 1.00 0.00 ? 2 LEU A O 20 ATOM 26959 C CB . LEU A 1 2 ? -29.888 -10.020 3.060 1.00 0.00 ? 2 LEU A CB 20 ATOM 26960 C CG . LEU A 1 2 ? -30.599 -11.234 3.658 1.00 0.00 ? 2 LEU A CG 20 ATOM 26961 C CD1 . LEU A 1 2 ? -29.587 -12.272 4.117 1.00 0.00 ? 2 LEU A CD1 20 ATOM 26962 C CD2 . LEU A 1 2 ? -31.494 -10.811 4.814 1.00 0.00 ? 2 LEU A CD2 20 ATOM 26963 H H . LEU A 1 2 ? -29.692 -12.058 1.551 1.00 0.00 ? 2 LEU A H 20 ATOM 26964 H HA . LEU A 1 2 ? -30.810 -9.473 1.208 1.00 0.00 ? 2 LEU A HA 20 ATOM 26965 H HB2 . LEU A 1 2 ? -28.861 -10.031 3.392 1.00 0.00 ? 2 LEU A HB2 20 ATOM 26966 H HB3 . LEU A 1 2 ? -30.363 -9.129 3.442 1.00 0.00 ? 2 LEU A HB3 20 ATOM 26967 H HG . LEU A 1 2 ? -31.223 -11.688 2.901 1.00 0.00 ? 2 LEU A HG 20 ATOM 26968 H HD11 . LEU A 1 2 ? -28.602 -11.988 3.780 1.00 0.00 ? 2 LEU A HD11 20 ATOM 26969 H HD12 . LEU A 1 2 ? -29.595 -12.331 5.196 1.00 0.00 ? 2 LEU A HD12 20 ATOM 26970 H HD13 . LEU A 1 2 ? -29.846 -13.235 3.703 1.00 0.00 ? 2 LEU A HD13 20 ATOM 26971 H HD21 . LEU A 1 2 ? -31.375 -9.753 4.992 1.00 0.00 ? 2 LEU A HD21 20 ATOM 26972 H HD22 . LEU A 1 2 ? -32.524 -11.022 4.567 1.00 0.00 ? 2 LEU A HD22 20 ATOM 26973 H HD23 . LEU A 1 2 ? -31.218 -11.359 5.702 1.00 0.00 ? 2 LEU A HD23 20 ATOM 26974 N N . LYS A 1 3 ? -28.824 -7.811 1.147 1.00 0.00 ? 3 LYS A N 20 ATOM 26975 C CA . LYS A 1 3 ? -27.758 -6.916 0.712 1.00 0.00 ? 3 LYS A CA 20 ATOM 26976 C C . LYS A 1 3 ? -26.990 -6.359 1.907 1.00 0.00 ? 3 LYS A C 20 ATOM 26977 O O . LYS A 1 3 ? -26.385 -5.291 1.824 1.00 0.00 ? 3 LYS A O 20 ATOM 26978 C CB . LYS A 1 3 ? -28.335 -5.766 -0.117 1.00 0.00 ? 3 LYS A CB 20 ATOM 26979 C CG . LYS A 1 3 ? -28.311 -6.025 -1.615 1.00 0.00 ? 3 LYS A CG 20 ATOM 26980 C CD . LYS A 1 3 ? -26.893 -6.243 -2.119 1.00 0.00 ? 3 LYS A CD 20 ATOM 26981 C CE . LYS A 1 3 ? -26.804 -7.468 -3.015 1.00 0.00 ? 3 LYS A CE 20 ATOM 26982 N NZ . LYS A 1 3 ? -26.526 -7.101 -4.431 1.00 0.00 ? 3 LYS A NZ 20 ATOM 26983 H H . LYS A 1 3 ? -29.643 -7.430 1.527 1.00 0.00 ? 3 LYS A H 20 ATOM 26984 H HA . LYS A 1 3 ? -27.078 -7.485 0.096 1.00 0.00 ? 3 LYS A HA 20 ATOM 26985 H HB2 . LYS A 1 3 ? -29.360 -5.602 0.181 1.00 0.00 ? 3 LYS A HB2 20 ATOM 26986 H HB3 . LYS A 1 3 ? -27.763 -4.872 0.081 1.00 0.00 ? 3 LYS A HB3 20 ATOM 26987 H HG2 . LYS A 1 3 ? -28.897 -6.906 -1.828 1.00 0.00 ? 3 LYS A HG2 20 ATOM 26988 H HG3 . LYS A 1 3 ? -28.738 -5.173 -2.124 1.00 0.00 ? 3 LYS A HG3 20 ATOM 26989 H HD2 . LYS A 1 3 ? -26.584 -5.375 -2.681 1.00 0.00 ? 3 LYS A HD2 20 ATOM 26990 H HD3 . LYS A 1 3 ? -26.237 -6.380 -1.271 1.00 0.00 ? 3 LYS A HD3 20 ATOM 26991 H HE2 . LYS A 1 3 ? -26.010 -8.104 -2.656 1.00 0.00 ? 3 LYS A HE2 20 ATOM 26992 H HE3 . LYS A 1 3 ? -27.742 -8.002 -2.968 1.00 0.00 ? 3 LYS A HE3 20 ATOM 26993 H HZ1 . LYS A 1 3 ? -25.782 -6.376 -4.473 1.00 0.00 ? 3 LYS A HZ1 20 ATOM 26994 H HZ2 . LYS A 1 3 ? -26.209 -7.937 -4.962 1.00 0.00 ? 3 LYS A HZ2 20 ATOM 26995 H HZ3 . LYS A 1 3 ? -27.386 -6.724 -4.878 1.00 0.00 ? 3 LYS A HZ3 20 ATOM 26996 N N . LYS A 1 4 ? -27.018 -7.091 3.016 1.00 0.00 ? 4 LYS A N 20 ATOM 26997 C CA . LYS A 1 4 ? -26.323 -6.669 4.227 1.00 0.00 ? 4 LYS A CA 20 ATOM 26998 C C . LYS A 1 4 ? -24.830 -6.962 4.124 1.00 0.00 ? 4 LYS A C 20 ATOM 26999 O O . LYS A 1 4 ? -23.998 -6.149 4.526 1.00 0.00 ? 4 LYS A O 20 ATOM 27000 C CB . LYS A 1 4 ? -26.910 -7.376 5.451 1.00 0.00 ? 4 LYS A CB 20 ATOM 27001 C CG . LYS A 1 4 ? -28.430 -7.425 5.452 1.00 0.00 ? 4 LYS A CG 20 ATOM 27002 C CD . LYS A 1 4 ? -29.005 -6.842 6.733 1.00 0.00 ? 4 LYS A CD 20 ATOM 27003 C CE . LYS A 1 4 ? -30.098 -5.826 6.442 1.00 0.00 ? 4 LYS A CE 20 ATOM 27004 N NZ . LYS A 1 4 ? -30.986 -6.269 5.331 1.00 0.00 ? 4 LYS A NZ 20 ATOM 27005 H H . LYS A 1 4 ? -27.517 -7.934 3.021 1.00 0.00 ? 4 LYS A H 20 ATOM 27006 H HA . LYS A 1 4 ? -26.462 -5.604 4.335 1.00 0.00 ? 4 LYS A HA 20 ATOM 27007 H HB2 . LYS A 1 4 ? -26.539 -8.389 5.479 1.00 0.00 ? 4 LYS A HB2 20 ATOM 27008 H HB3 . LYS A 1 4 ? -26.587 -6.857 6.340 1.00 0.00 ? 4 LYS A HB3 20 ATOM 27009 H HG2 . LYS A 1 4 ? -28.799 -6.855 4.613 1.00 0.00 ? 4 LYS A HG2 20 ATOM 27010 H HG3 . LYS A 1 4 ? -28.747 -8.452 5.361 1.00 0.00 ? 4 LYS A HG3 20 ATOM 27011 H HD2 . LYS A 1 4 ? -29.421 -7.642 7.327 1.00 0.00 ? 4 LYS A HD2 20 ATOM 27012 H HD3 . LYS A 1 4 ? -28.213 -6.357 7.285 1.00 0.00 ? 4 LYS A HD3 20 ATOM 27013 H HE2 . LYS A 1 4 ? -30.693 -5.690 7.333 1.00 0.00 ? 4 LYS A HE2 20 ATOM 27014 H HE3 . LYS A 1 4 ? -29.637 -4.888 6.171 1.00 0.00 ? 4 LYS A HE3 20 ATOM 27015 H HZ1 . LYS A 1 4 ? -31.034 -7.307 5.303 1.00 0.00 ? 4 LYS A HZ1 20 ATOM 27016 H HZ2 . LYS A 1 4 ? -31.946 -5.894 5.470 1.00 0.00 ? 4 LYS A HZ2 20 ATOM 27017 H HZ3 . LYS A 1 4 ? -30.618 -5.926 4.421 1.00 0.00 ? 4 LYS A HZ3 20 ATOM 27018 N N . HIS A 1 5 ? -24.497 -8.128 3.580 1.00 0.00 ? 5 HIS A N 20 ATOM 27019 C CA . HIS A 1 5 ? -23.104 -8.527 3.422 1.00 0.00 ? 5 HIS A CA 20 ATOM 27020 C C . HIS A 1 5 ? -22.302 -7.430 2.728 1.00 0.00 ? 5 HIS A C 20 ATOM 27021 O O . HIS A 1 5 ? -21.085 -7.340 2.890 1.00 0.00 ? 5 HIS A O 20 ATOM 27022 C CB . HIS A 1 5 ? -23.010 -9.828 2.624 1.00 0.00 ? 5 HIS A CB 20 ATOM 27023 C CG . HIS A 1 5 ? -23.735 -9.782 1.314 1.00 0.00 ? 5 HIS A CG 20 ATOM 27024 N ND1 . HIS A 1 5 ? -23.088 -9.763 0.096 1.00 0.00 ? 5 HIS A ND1 20 ATOM 27025 C CD2 . HIS A 1 5 ? -25.060 -9.751 1.035 1.00 0.00 ? 5 HIS A CD2 20 ATOM 27026 C CE1 . HIS A 1 5 ? -23.984 -9.722 -0.875 1.00 0.00 ? 5 HIS A CE1 20 ATOM 27027 N NE2 . HIS A 1 5 ? -25.186 -9.716 -0.331 1.00 0.00 ? 5 HIS A NE2 20 ATOM 27028 H H . HIS A 1 5 ? -25.205 -8.734 3.276 1.00 0.00 ? 5 HIS A H 20 ATOM 27029 H HA . HIS A 1 5 ? -22.692 -8.689 4.407 1.00 0.00 ? 5 HIS A HA 20 ATOM 27030 H HB2 . HIS A 1 5 ? -21.972 -10.043 2.420 1.00 0.00 ? 5 HIS A HB2 20 ATOM 27031 H HB3 . HIS A 1 5 ? -23.430 -10.632 3.210 1.00 0.00 ? 5 HIS A HB3 20 ATOM 27032 H HD1 . HIS A 1 5 ? -22.118 -9.775 -0.037 1.00 0.00 ? 5 HIS A HD1 20 ATOM 27033 H HD2 . HIS A 1 5 ? -25.867 -9.757 1.754 1.00 0.00 ? 5 HIS A HD2 20 ATOM 27034 H HE1 . HIS A 1 5 ? -23.769 -9.699 -1.933 1.00 0.00 ? 5 HIS A HE1 20 ATOM 27035 H HE2 . HIS A 1 5 ? -26.031 -9.689 -0.826 1.00 0.00 ? 5 HIS A HE2 20 ATOM 27036 N N . HIS A 1 6 ? -22.991 -6.599 1.952 1.00 0.00 ? 6 HIS A N 20 ATOM 27037 C CA . HIS A 1 6 ? -22.341 -5.509 1.234 1.00 0.00 ? 6 HIS A CA 20 ATOM 27038 C C . HIS A 1 6 ? -21.662 -4.547 2.203 1.00 0.00 ? 6 HIS A C 20 ATOM 27039 O O . HIS A 1 6 ? -20.487 -4.221 2.046 1.00 0.00 ? 6 HIS A O 20 ATOM 27040 C CB . HIS A 1 6 ? -23.361 -4.754 0.379 1.00 0.00 ? 6 HIS A CB 20 ATOM 27041 C CG . HIS A 1 6 ? -23.504 -5.304 -1.006 1.00 0.00 ? 6 HIS A CG 20 ATOM 27042 N ND1 . HIS A 1 6 ? -23.846 -6.616 -1.263 1.00 0.00 ? 6 HIS A ND1 20 ATOM 27043 C CD2 . HIS A 1 6 ? -23.351 -4.714 -2.215 1.00 0.00 ? 6 HIS A CD2 20 ATOM 27044 C CE1 . HIS A 1 6 ? -23.896 -6.809 -2.569 1.00 0.00 ? 6 HIS A CE1 20 ATOM 27045 N NE2 . HIS A 1 6 ? -23.600 -5.671 -3.169 1.00 0.00 ? 6 HIS A NE2 20 ATOM 27046 H H . HIS A 1 6 ? -23.959 -6.721 1.861 1.00 0.00 ? 6 HIS A H 20 ATOM 27047 H HA . HIS A 1 6 ? -21.590 -5.938 0.589 1.00 0.00 ? 6 HIS A HA 20 ATOM 27048 H HB2 . HIS A 1 6 ? -24.328 -4.802 0.857 1.00 0.00 ? 6 HIS A HB2 20 ATOM 27049 H HB3 . HIS A 1 6 ? -23.056 -3.721 0.296 1.00 0.00 ? 6 HIS A HB3 20 ATOM 27050 H HD1 . HIS A 1 6 ? -24.026 -7.303 -0.588 1.00 0.00 ? 6 HIS A HD1 20 ATOM 27051 H HD2 . HIS A 1 6 ? -23.081 -3.683 -2.396 1.00 0.00 ? 6 HIS A HD2 20 ATOM 27052 H HE1 . HIS A 1 6 ? -24.138 -7.739 -3.062 1.00 0.00 ? 6 HIS A HE1 20 ATOM 27053 H HE2 . HIS A 1 6 ? -23.565 -5.534 -4.138 1.00 0.00 ? 6 HIS A HE2 20 ATOM 27054 N N . GLU A 1 7 ? -22.409 -4.099 3.208 1.00 0.00 ? 7 GLU A N 20 ATOM 27055 C CA . GLU A 1 7 ? -21.874 -3.178 4.203 1.00 0.00 ? 7 GLU A CA 20 ATOM 27056 C C . GLU A 1 7 ? -20.620 -3.752 4.852 1.00 0.00 ? 7 GLU A C 20 ATOM 27057 O O . GLU A 1 7 ? -19.766 -3.012 5.338 1.00 0.00 ? 7 GLU A O 20 ATOM 27058 C CB . GLU A 1 7 ? -22.927 -2.877 5.271 1.00 0.00 ? 7 GLU A CB 20 ATOM 27059 C CG . GLU A 1 7 ? -22.756 -1.516 5.927 1.00 0.00 ? 7 GLU A CG 20 ATOM 27060 C CD . GLU A 1 7 ? -23.522 -1.398 7.231 1.00 0.00 ? 7 GLU A CD 20 ATOM 27061 O OE1 . GLU A 1 7 ? -24.749 -1.168 7.179 1.00 0.00 ? 7 GLU A OE1 20 ATOM 27062 O OE2 . GLU A 1 7 ? -22.894 -1.534 8.302 1.00 0.00 ? 7 GLU A OE2 20 ATOM 27063 H H . GLU A 1 7 ? -23.340 -4.396 3.282 1.00 0.00 ? 7 GLU A H 20 ATOM 27064 H HA . GLU A 1 7 ? -21.612 -2.260 3.697 1.00 0.00 ? 7 GLU A HA 20 ATOM 27065 H HB2 . GLU A 1 7 ? -23.905 -2.914 4.817 1.00 0.00 ? 7 GLU A HB2 20 ATOM 27066 H HB3 . GLU A 1 7 ? -22.867 -3.633 6.041 1.00 0.00 ? 7 GLU A HB3 20 ATOM 27067 H HG2 . GLU A 1 7 ? -21.707 -1.356 6.127 1.00 0.00 ? 7 GLU A HG2 20 ATOM 27068 H HG3 . GLU A 1 7 ? -23.113 -0.757 5.247 1.00 0.00 ? 7 GLU A HG3 20 ATOM 27069 N N . ASN A 1 8 ? -20.513 -5.077 4.850 1.00 0.00 ? 8 ASN A N 20 ATOM 27070 C CA . ASN A 1 8 ? -19.358 -5.748 5.433 1.00 0.00 ? 8 ASN A CA 20 ATOM 27071 C C . ASN A 1 8 ? -18.134 -5.556 4.549 1.00 0.00 ? 8 ASN A C 20 ATOM 27072 O O . ASN A 1 8 ? -17.121 -5.010 4.986 1.00 0.00 ? 8 ASN A O 20 ATOM 27073 C CB . ASN A 1 8 ? -19.643 -7.240 5.620 1.00 0.00 ? 8 ASN A CB 20 ATOM 27074 C CG . ASN A 1 8 ? -20.964 -7.493 6.320 1.00 0.00 ? 8 ASN A CG 20 ATOM 27075 O OD1 . ASN A 1 8 ? -21.733 -6.567 6.573 1.00 0.00 ? 8 ASN A OD1 20 ATOM 27076 N ND2 . ASN A 1 8 ? -21.231 -8.754 6.641 1.00 0.00 ? 8 ASN A ND2 20 ATOM 27077 H H . ASN A 1 8 ? -21.224 -5.614 4.442 1.00 0.00 ? 8 ASN A H 20 ATOM 27078 H HA . ASN A 1 8 ? -19.165 -5.301 6.396 1.00 0.00 ? 8 ASN A HA 20 ATOM 27079 H HB2 . ASN A 1 8 ? -19.674 -7.718 4.652 1.00 0.00 ? 8 ASN A HB2 20 ATOM 27080 H HB3 . ASN A 1 8 ? -18.853 -7.681 6.208 1.00 0.00 ? 8 ASN A HB3 20 ATOM 27081 H HD21 . ASN A 1 8 ? -20.571 -9.440 6.411 1.00 0.00 ? 8 ASN A HD21 20 ATOM 27082 H HD22 . ASN A 1 8 ? -22.078 -8.946 7.095 1.00 0.00 ? 8 ASN A HD22 20 ATOM 27083 N N . GLU A 1 9 ? -18.241 -5.988 3.298 1.00 0.00 ? 9 GLU A N 20 ATOM 27084 C CA . GLU A 1 9 ? -17.145 -5.842 2.350 1.00 0.00 ? 9 GLU A CA 20 ATOM 27085 C C . GLU A 1 9 ? -16.746 -4.373 2.223 1.00 0.00 ? 9 GLU A C 20 ATOM 27086 O O . GLU A 1 9 ? -15.635 -4.057 1.802 1.00 0.00 ? 9 GLU A O 20 ATOM 27087 C CB . GLU A 1 9 ? -17.544 -6.395 0.981 1.00 0.00 ? 9 GLU A CB 20 ATOM 27088 C CG . GLU A 1 9 ? -16.920 -7.745 0.662 1.00 0.00 ? 9 GLU A CG 20 ATOM 27089 C CD . GLU A 1 9 ? -15.426 -7.772 0.914 1.00 0.00 ? 9 GLU A CD 20 ATOM 27090 O OE1 . GLU A 1 9 ? -15.022 -8.049 2.063 1.00 0.00 ? 9 GLU A OE1 20 ATOM 27091 O OE2 . GLU A 1 9 ? -14.659 -7.516 -0.038 1.00 0.00 ? 9 GLU A OE2 20 ATOM 27092 H H . GLU A 1 9 ? -19.078 -6.403 3.002 1.00 0.00 ? 9 GLU A H 20 ATOM 27093 H HA . GLU A 1 9 ? -16.302 -6.401 2.726 1.00 0.00 ? 9 GLU A HA 20 ATOM 27094 H HB2 . GLU A 1 9 ? -18.618 -6.503 0.949 1.00 0.00 ? 9 GLU A HB2 20 ATOM 27095 H HB3 . GLU A 1 9 ? -17.239 -5.693 0.219 1.00 0.00 ? 9 GLU A HB3 20 ATOM 27096 H HG2 . GLU A 1 9 ? -17.388 -8.497 1.280 1.00 0.00 ? 9 GLU A HG2 20 ATOM 27097 H HG3 . GLU A 1 9 ? -17.100 -7.972 -0.379 1.00 0.00 ? 9 GLU A HG3 20 ATOM 27098 N N . ILE A 1 10 ? -17.664 -3.482 2.593 1.00 0.00 ? 10 ILE A N 20 ATOM 27099 C CA . ILE A 1 10 ? -17.414 -2.051 2.524 1.00 0.00 ? 10 ILE A CA 20 ATOM 27100 C C . ILE A 1 10 ? -16.439 -1.624 3.626 1.00 0.00 ? 10 ILE A C 20 ATOM 27101 O O . ILE A 1 10 ? -15.403 -1.021 3.354 1.00 0.00 ? 10 ILE A O 20 ATOM 27102 C CB . ILE A 1 10 ? -18.765 -1.262 2.589 1.00 0.00 ? 10 ILE A CB 20 ATOM 27103 C CG1 . ILE A 1 10 ? -18.940 -0.410 1.332 1.00 0.00 ? 10 ILE A CG1 20 ATOM 27104 C CG2 . ILE A 1 10 ? -18.908 -0.391 3.841 1.00 0.00 ? 10 ILE A CG2 20 ATOM 27105 C CD1 . ILE A 1 10 ? -20.244 -0.668 0.612 1.00 0.00 ? 10 ILE A CD1 20 ATOM 27106 H H . ILE A 1 10 ? -18.533 -3.793 2.919 1.00 0.00 ? 10 ILE A H 20 ATOM 27107 H HA . ILE A 1 10 ? -16.954 -1.849 1.567 1.00 0.00 ? 10 ILE A HA 20 ATOM 27108 H HB . ILE A 1 10 ? -19.562 -1.989 2.614 1.00 0.00 ? 10 ILE A HB 20 ATOM 27109 H HG12 . ILE A 1 10 ? -18.913 0.635 1.606 1.00 0.00 ? 10 ILE A HG12 20 ATOM 27110 H HG13 . ILE A 1 10 ? -18.132 -0.618 0.646 1.00 0.00 ? 10 ILE A HG13 20 ATOM 27111 H HG21 . ILE A 1 10 ? -18.016 0.203 3.969 1.00 0.00 ? 10 ILE A HG21 20 ATOM 27112 H HG22 . ILE A 1 10 ? -19.763 0.260 3.730 1.00 0.00 ? 10 ILE A HG22 20 ATOM 27113 H HG23 . ILE A 1 10 ? -19.048 -1.024 4.704 1.00 0.00 ? 10 ILE A HG23 20 ATOM 27114 H HD11 . ILE A 1 10 ? -20.779 -1.464 1.111 1.00 0.00 ? 10 ILE A HD11 20 ATOM 27115 H HD12 . ILE A 1 10 ? -20.844 0.230 0.619 1.00 0.00 ? 10 ILE A HD12 20 ATOM 27116 H HD13 . ILE A 1 10 ? -20.041 -0.958 -0.410 1.00 0.00 ? 10 ILE A HD13 20 ATOM 27117 N N . SER A 1 11 ? -16.782 -1.944 4.870 1.00 0.00 ? 11 SER A N 20 ATOM 27118 C CA . SER A 1 11 ? -15.937 -1.595 6.006 1.00 0.00 ? 11 SER A CA 20 ATOM 27119 C C . SER A 1 11 ? -14.566 -2.250 5.880 1.00 0.00 ? 11 SER A C 20 ATOM 27120 O O . SER A 1 11 ? -13.575 -1.749 6.415 1.00 0.00 ? 11 SER A O 20 ATOM 27121 C CB . SER A 1 11 ? -16.603 -2.023 7.315 1.00 0.00 ? 11 SER A CB 20 ATOM 27122 O OG . SER A 1 11 ? -17.206 -0.918 7.965 1.00 0.00 ? 11 SER A OG 20 ATOM 27123 H H . SER A 1 11 ? -17.620 -2.430 5.028 1.00 0.00 ? 11 SER A H 20 ATOM 27124 H HA . SER A 1 11 ? -15.812 -0.523 6.009 1.00 0.00 ? 11 SER A HA 20 ATOM 27125 H HB2 . SER A 1 11 ? -17.362 -2.761 7.106 1.00 0.00 ? 11 SER A HB2 20 ATOM 27126 H HB3 . SER A 1 11 ? -15.858 -2.449 7.972 1.00 0.00 ? 11 SER A HB3 20 ATOM 27127 H HG . SER A 1 11 ? -16.789 -0.782 8.819 1.00 0.00 ? 11 SER A HG 20 ATOM 27128 N N . HIS A 1 12 ? -14.515 -3.370 5.168 1.00 0.00 ? 12 HIS A N 20 ATOM 27129 C CA . HIS A 1 12 ? -13.268 -4.092 4.970 1.00 0.00 ? 12 HIS A CA 20 ATOM 27130 C C . HIS A 1 12 ? -12.365 -3.333 3.995 1.00 0.00 ? 12 HIS A C 20 ATOM 27131 O O . HIS A 1 12 ? -11.187 -3.113 4.274 1.00 0.00 ? 12 HIS A O 20 ATOM 27132 C CB . HIS A 1 12 ? -13.573 -5.535 4.501 1.00 0.00 ? 12 HIS A CB 20 ATOM 27133 C CG . HIS A 1 12 ? -12.729 -6.048 3.369 1.00 0.00 ? 12 HIS A CG 20 ATOM 27134 N ND1 . HIS A 1 12 ? -11.528 -6.702 3.555 1.00 0.00 ? 12 HIS A ND1 20 ATOM 27135 C CD2 . HIS A 1 12 ? -12.925 -5.997 2.031 1.00 0.00 ? 12 HIS A CD2 20 ATOM 27136 C CE1 . HIS A 1 12 ? -11.022 -7.031 2.379 1.00 0.00 ? 12 HIS A CE1 20 ATOM 27137 N NE2 . HIS A 1 12 ? -11.851 -6.615 1.439 1.00 0.00 ? 12 HIS A NE2 20 ATOM 27138 H H . HIS A 1 12 ? -15.338 -3.719 4.763 1.00 0.00 ? 12 HIS A H 20 ATOM 27139 H HA . HIS A 1 12 ? -12.767 -4.136 5.927 1.00 0.00 ? 12 HIS A HA 20 ATOM 27140 H HB2 . HIS A 1 12 ? -13.434 -6.204 5.334 1.00 0.00 ? 12 HIS A HB2 20 ATOM 27141 H HB3 . HIS A 1 12 ? -14.606 -5.582 4.188 1.00 0.00 ? 12 HIS A HB3 20 ATOM 27142 H HD1 . HIS A 1 12 ? -11.110 -6.894 4.419 1.00 0.00 ? 12 HIS A HD1 20 ATOM 27143 H HD2 . HIS A 1 12 ? -13.770 -5.552 1.526 1.00 0.00 ? 12 HIS A HD2 20 ATOM 27144 H HE1 . HIS A 1 12 ? -10.090 -7.551 2.215 1.00 0.00 ? 12 HIS A HE1 20 ATOM 27145 H HE2 . HIS A 1 12 ? -11.718 -6.730 0.475 1.00 0.00 ? 12 HIS A HE2 20 ATOM 27146 N N . HIS A 1 13 ? -12.921 -2.928 2.855 1.00 0.00 ? 13 HIS A N 20 ATOM 27147 C CA . HIS A 1 13 ? -12.148 -2.190 1.866 1.00 0.00 ? 13 HIS A CA 20 ATOM 27148 C C . HIS A 1 13 ? -11.612 -0.902 2.469 1.00 0.00 ? 13 HIS A C 20 ATOM 27149 O O . HIS A 1 13 ? -10.556 -0.419 2.074 1.00 0.00 ? 13 HIS A O 20 ATOM 27150 C CB . HIS A 1 13 ? -12.996 -1.854 0.644 1.00 0.00 ? 13 HIS A CB 20 ATOM 27151 C CG . HIS A 1 13 ? -13.521 -3.044 -0.086 1.00 0.00 ? 13 HIS A CG 20 ATOM 27152 N ND1 . HIS A 1 13 ? -12.870 -4.259 -0.134 1.00 0.00 ? 13 HIS A ND1 20 ATOM 27153 C CD2 . HIS A 1 13 ? -14.648 -3.192 -0.809 1.00 0.00 ? 13 HIS A CD2 20 ATOM 27154 C CE1 . HIS A 1 13 ? -13.580 -5.105 -0.860 1.00 0.00 ? 13 HIS A CE1 20 ATOM 27155 N NE2 . HIS A 1 13 ? -14.665 -4.481 -1.280 1.00 0.00 ? 13 HIS A NE2 20 ATOM 27156 H H . HIS A 1 13 ? -13.866 -3.122 2.682 1.00 0.00 ? 13 HIS A H 20 ATOM 27157 H HA . HIS A 1 13 ? -11.316 -2.808 1.563 1.00 0.00 ? 13 HIS A HA 20 ATOM 27158 H HB2 . HIS A 1 13 ? -13.842 -1.267 0.955 1.00 0.00 ? 13 HIS A HB2 20 ATOM 27159 H HB3 . HIS A 1 13 ? -12.400 -1.277 -0.049 1.00 0.00 ? 13 HIS A HB3 20 ATOM 27160 H HD1 . HIS A 1 13 ? -12.017 -4.470 0.298 1.00 0.00 ? 13 HIS A HD1 20 ATOM 27161 H HD2 . HIS A 1 13 ? -15.393 -2.428 -0.983 1.00 0.00 ? 13 HIS A HD2 20 ATOM 27162 H HE1 . HIS A 1 13 ? -13.319 -6.131 -1.074 1.00 0.00 ? 13 HIS A HE1 20 ATOM 27163 H HE2 . HIS A 1 13 ? -15.367 -4.876 -1.838 1.00 0.00 ? 13 HIS A HE2 20 ATOM 27164 N N . ALA A 1 14 ? -12.351 -0.348 3.426 1.00 0.00 ? 14 ALA A N 20 ATOM 27165 C CA . ALA A 1 14 ? -11.948 0.888 4.081 1.00 0.00 ? 14 ALA A CA 20 ATOM 27166 C C . ALA A 1 14 ? -10.666 0.677 4.869 1.00 0.00 ? 14 ALA A C 20 ATOM 27167 O O . ALA A 1 14 ? -9.673 1.372 4.659 1.00 0.00 ? 14 ALA A O 20 ATOM 27168 C CB . ALA A 1 14 ? -13.057 1.395 4.991 1.00 0.00 ? 14 ALA A CB 20 ATOM 27169 H H . ALA A 1 14 ? -13.188 -0.781 3.696 1.00 0.00 ? 14 ALA A H 20 ATOM 27170 H HA . ALA A 1 14 ? -11.770 1.632 3.315 1.00 0.00 ? 14 ALA A HA 20 ATOM 27171 H HB1 . ALA A 1 14 ? -12.812 1.168 6.018 1.00 0.00 ? 14 ALA A HB1 20 ATOM 27172 H HB2 . ALA A 1 14 ? -13.987 0.914 4.727 1.00 0.00 ? 14 ALA A HB2 20 ATOM 27173 H HB3 . ALA A 1 14 ? -13.159 2.464 4.873 1.00 0.00 ? 14 ALA A HB3 20 ATOM 27174 N N . LYS A 1 15 ? -10.686 -0.302 5.767 1.00 0.00 ? 15 LYS A N 20 ATOM 27175 C CA . LYS A 1 15 ? -9.511 -0.612 6.566 1.00 0.00 ? 15 LYS A CA 20 ATOM 27176 C C . LYS A 1 15 ? -8.372 -1.106 5.675 1.00 0.00 ? 15 LYS A C 20 ATOM 27177 O O . LYS A 1 15 ? -7.218 -1.154 6.099 1.00 0.00 ? 15 LYS A O 20 ATOM 27178 C CB . LYS A 1 15 ? -9.847 -1.668 7.621 1.00 0.00 ? 15 LYS A CB 20 ATOM 27179 C CG . LYS A 1 15 ? -10.492 -1.096 8.872 1.00 0.00 ? 15 LYS A CG 20 ATOM 27180 C CD . LYS A 1 15 ? -9.671 0.046 9.449 1.00 0.00 ? 15 LYS A CD 20 ATOM 27181 C CE . LYS A 1 15 ? -10.118 0.397 10.859 1.00 0.00 ? 15 LYS A CE 20 ATOM 27182 N NZ . LYS A 1 15 ? -11.321 1.274 10.858 1.00 0.00 ? 15 LYS A NZ 20 ATOM 27183 H H . LYS A 1 15 ? -11.503 -0.835 5.882 1.00 0.00 ? 15 LYS A H 20 ATOM 27184 H HA . LYS A 1 15 ? -9.197 0.295 7.061 1.00 0.00 ? 15 LYS A HA 20 ATOM 27185 H HB2 . LYS A 1 15 ? -10.527 -2.389 7.189 1.00 0.00 ? 15 LYS A HB2 20 ATOM 27186 H HB3 . LYS A 1 15 ? -8.937 -2.174 7.911 1.00 0.00 ? 15 LYS A HB3 20 ATOM 27187 H HG2 . LYS A 1 15 ? -11.475 -0.727 8.621 1.00 0.00 ? 15 LYS A HG2 20 ATOM 27188 H HG3 . LYS A 1 15 ? -10.576 -1.877 9.612 1.00 0.00 ? 15 LYS A HG3 20 ATOM 27189 H HD2 . LYS A 1 15 ? -8.632 -0.248 9.474 1.00 0.00 ? 15 LYS A HD2 20 ATOM 27190 H HD3 . LYS A 1 15 ? -9.787 0.914 8.818 1.00 0.00 ? 15 LYS A HD3 20 ATOM 27191 H HE2 . LYS A 1 15 ? -10.350 -0.516 11.387 1.00 0.00 ? 15 LYS A HE2 20 ATOM 27192 H HE3 . LYS A 1 15 ? -9.311 0.907 11.363 1.00 0.00 ? 15 LYS A HE3 20 ATOM 27193 H HZ1 . LYS A 1 15 ? -11.560 1.552 9.885 1.00 0.00 ? 15 LYS A HZ1 20 ATOM 27194 H HZ2 . LYS A 1 15 ? -12.132 0.769 11.272 1.00 0.00 ? 15 LYS A HZ2 20 ATOM 27195 H HZ3 . LYS A 1 15 ? -11.139 2.131 11.418 1.00 0.00 ? 15 LYS A HZ3 20 ATOM 27196 N N . GLU A 1 16 ? -8.704 -1.470 4.434 1.00 0.00 ? 16 GLU A N 20 ATOM 27197 C CA . GLU A 1 16 ? -7.708 -1.956 3.491 1.00 0.00 ? 16 GLU A CA 20 ATOM 27198 C C . GLU A 1 16 ? -7.013 -0.795 2.787 1.00 0.00 ? 16 GLU A C 20 ATOM 27199 O O . GLU A 1 16 ? -5.828 -0.880 2.467 1.00 0.00 ? 16 GLU A O 20 ATOM 27200 C CB . GLU A 1 16 ? -8.358 -2.879 2.459 1.00 0.00 ? 16 GLU A CB 20 ATOM 27201 C CG . GLU A 1 16 ? -7.954 -4.337 2.609 1.00 0.00 ? 16 GLU A CG 20 ATOM 27202 C CD . GLU A 1 16 ? -6.455 -4.515 2.743 1.00 0.00 ? 16 GLU A CD 20 ATOM 27203 O OE1 . GLU A 1 16 ? -5.708 -3.871 1.977 1.00 0.00 ? 16 GLU A OE1 20 ATOM 27204 O OE2 . GLU A 1 16 ? -6.026 -5.300 3.616 1.00 0.00 ? 16 GLU A OE2 20 ATOM 27205 H H . GLU A 1 16 ? -9.637 -1.414 4.148 1.00 0.00 ? 16 GLU A H 20 ATOM 27206 H HA . GLU A 1 16 ? -6.971 -2.514 4.048 1.00 0.00 ? 16 GLU A HA 20 ATOM 27207 H HB2 . GLU A 1 16 ? -9.431 -2.813 2.558 1.00 0.00 ? 16 GLU A HB2 20 ATOM 27208 H HB3 . GLU A 1 16 ? -8.076 -2.549 1.470 1.00 0.00 ? 16 GLU A HB3 20 ATOM 27209 H HG2 . GLU A 1 16 ? -8.430 -4.741 3.489 1.00 0.00 ? 16 GLU A HG2 20 ATOM 27210 H HG3 . GLU A 1 16 ? -8.289 -4.880 1.738 1.00 0.00 ? 16 GLU A HG3 20 ATOM 27211 N N . ILE A 1 17 ? -7.747 0.290 2.547 1.00 0.00 ? 17 ILE A N 20 ATOM 27212 C CA . ILE A 1 17 ? -7.170 1.452 1.885 1.00 0.00 ? 17 ILE A CA 20 ATOM 27213 C C . ILE A 1 17 ? -6.291 2.240 2.856 1.00 0.00 ? 17 ILE A C 20 ATOM 27214 O O . ILE A 1 17 ? -5.239 2.761 2.480 1.00 0.00 ? 17 ILE A O 20 ATOM 27215 C CB . ILE A 1 17 ? -8.269 2.361 1.270 1.00 0.00 ? 17 ILE A CB 20 ATOM 27216 C CG1 . ILE A 1 17 ? -8.866 3.323 2.309 1.00 0.00 ? 17 ILE A CG1 20 ATOM 27217 C CG2 . ILE A 1 17 ? -9.370 1.510 0.662 1.00 0.00 ? 17 ILE A CG2 20 ATOM 27218 C CD1 . ILE A 1 17 ? -8.127 4.639 2.409 1.00 0.00 ? 17 ILE A CD1 20 ATOM 27219 H H . ILE A 1 17 ? -8.693 0.312 2.822 1.00 0.00 ? 17 ILE A H 20 ATOM 27220 H HA . ILE A 1 17 ? -6.544 1.092 1.079 1.00 0.00 ? 17 ILE A HA 20 ATOM 27221 H HB . ILE A 1 17 ? -7.820 2.935 0.472 1.00 0.00 ? 17 ILE A HB 20 ATOM 27222 H HG12 . ILE A 1 17 ? -9.890 3.538 2.043 1.00 0.00 ? 17 ILE A HG12 20 ATOM 27223 H HG13 . ILE A 1 17 ? -8.843 2.853 3.280 1.00 0.00 ? 17 ILE A HG13 20 ATOM 27224 H HG21 . ILE A 1 17 ? -9.051 0.479 0.627 1.00 0.00 ? 17 ILE A HG21 20 ATOM 27225 H HG22 . ILE A 1 17 ? -10.262 1.590 1.265 1.00 0.00 ? 17 ILE A HG22 20 ATOM 27226 H HG23 . ILE A 1 17 ? -9.580 1.855 -0.337 1.00 0.00 ? 17 ILE A HG23 20 ATOM 27227 H HD11 . ILE A 1 17 ? -7.547 4.796 1.511 1.00 0.00 ? 17 ILE A HD11 20 ATOM 27228 H HD12 . ILE A 1 17 ? -8.838 5.443 2.524 1.00 0.00 ? 17 ILE A HD12 20 ATOM 27229 H HD13 . ILE A 1 17 ? -7.468 4.617 3.264 1.00 0.00 ? 17 ILE A HD13 20 ATOM 27230 N N . GLU A 1 18 ? -6.724 2.304 4.112 1.00 0.00 ? 18 GLU A N 20 ATOM 27231 C CA . GLU A 1 18 ? -5.975 3.010 5.143 1.00 0.00 ? 18 GLU A CA 20 ATOM 27232 C C . GLU A 1 18 ? -4.794 2.168 5.608 1.00 0.00 ? 18 GLU A C 20 ATOM 27233 O O . GLU A 1 18 ? -3.699 2.684 5.834 1.00 0.00 ? 18 GLU A O 20 ATOM 27234 C CB . GLU A 1 18 ? -6.883 3.343 6.329 1.00 0.00 ? 18 GLU A CB 20 ATOM 27235 C CG . GLU A 1 18 ? -7.629 4.658 6.175 1.00 0.00 ? 18 GLU A CG 20 ATOM 27236 C CD . GLU A 1 18 ? -8.441 5.015 7.404 1.00 0.00 ? 18 GLU A CD 20 ATOM 27237 O OE1 . GLU A 1 18 ? -9.618 4.606 7.478 1.00 0.00 ? 18 GLU A OE1 20 ATOM 27238 O OE2 . GLU A 1 18 ? -7.899 5.704 8.293 1.00 0.00 ? 18 GLU A OE2 20 ATOM 27239 H H . GLU A 1 18 ? -7.564 1.857 4.354 1.00 0.00 ? 18 GLU A H 20 ATOM 27240 H HA . GLU A 1 18 ? -5.603 3.929 4.714 1.00 0.00 ? 18 GLU A HA 20 ATOM 27241 H HB2 . GLU A 1 18 ? -7.609 2.553 6.444 1.00 0.00 ? 18 GLU A HB2 20 ATOM 27242 H HB3 . GLU A 1 18 ? -6.280 3.398 7.223 1.00 0.00 ? 18 GLU A HB3 20 ATOM 27243 H HG2 . GLU A 1 18 ? -6.912 5.445 5.995 1.00 0.00 ? 18 GLU A HG2 20 ATOM 27244 H HG3 . GLU A 1 18 ? -8.297 4.581 5.330 1.00 0.00 ? 18 GLU A HG3 20 ATOM 27245 N N . ARG A 1 19 ? -5.024 0.865 5.739 1.00 0.00 ? 19 ARG A N 20 ATOM 27246 C CA . ARG A 1 19 ? -3.977 -0.053 6.166 1.00 0.00 ? 19 ARG A CA 20 ATOM 27247 C C . ARG A 1 19 ? -2.955 -0.242 5.052 1.00 0.00 ? 19 ARG A C 20 ATOM 27248 O O . ARG A 1 19 ? -1.785 -0.524 5.310 1.00 0.00 ? 19 ARG A O 20 ATOM 27249 C CB . ARG A 1 19 ? -4.578 -1.402 6.562 1.00 0.00 ? 19 ARG A CB 20 ATOM 27250 C CG . ARG A 1 19 ? -3.547 -2.409 7.044 1.00 0.00 ? 19 ARG A CG 20 ATOM 27251 C CD . ARG A 1 19 ? -3.019 -3.258 5.900 1.00 0.00 ? 19 ARG A CD 20 ATOM 27252 N NE . ARG A 1 19 ? -2.774 -4.638 6.309 1.00 0.00 ? 19 ARG A NE 20 ATOM 27253 C CZ . ARG A 1 19 ? -1.837 -4.992 7.182 1.00 0.00 ? 19 ARG A CZ 20 ATOM 27254 N NH1 . ARG A 1 19 ? -1.062 -4.069 7.735 1.00 0.00 ? 19 ARG A NH1 20 ATOM 27255 N NH2 . ARG A 1 19 ? -1.675 -6.267 7.504 1.00 0.00 ? 19 ARG A NH2 20 ATOM 27256 H H . ARG A 1 19 ? -5.916 0.512 5.535 1.00 0.00 ? 19 ARG A H 20 ATOM 27257 H HA . ARG A 1 19 ? -3.483 0.381 7.022 1.00 0.00 ? 19 ARG A HA 20 ATOM 27258 H HB2 . ARG A 1 19 ? -5.295 -1.245 7.355 1.00 0.00 ? 19 ARG A HB2 20 ATOM 27259 H HB3 . ARG A 1 19 ? -5.088 -1.822 5.707 1.00 0.00 ? 19 ARG A HB3 20 ATOM 27260 H HG2 . ARG A 1 19 ? -2.723 -1.878 7.496 1.00 0.00 ? 19 ARG A HG2 20 ATOM 27261 H HG3 . ARG A 1 19 ? -4.007 -3.056 7.778 1.00 0.00 ? 19 ARG A HG3 20 ATOM 27262 H HD2 . ARG A 1 19 ? -3.745 -3.254 5.100 1.00 0.00 ? 19 ARG A HD2 20 ATOM 27263 H HD3 . ARG A 1 19 ? -2.094 -2.826 5.546 1.00 0.00 ? 19 ARG A HD3 20 ATOM 27264 H HE . ARG A 1 19 ? -3.336 -5.336 5.912 1.00 0.00 ? 19 ARG A HE 20 ATOM 27265 H HH11 . ARG A 1 19 ? -1.181 -3.105 7.495 1.00 0.00 ? 19 ARG A HH11 20 ATOM 27266 H HH12 . ARG A 1 19 ? -0.357 -4.336 8.392 1.00 0.00 ? 19 ARG A HH12 20 ATOM 27267 H HH21 . ARG A 1 19 ? -2.258 -6.965 7.089 1.00 0.00 ? 19 ARG A HH21 20 ATOM 27268 H HH22 . ARG A 1 19 ? -0.968 -6.531 8.162 1.00 0.00 ? 19 ARG A HH22 20 ATOM 27269 N N . LEU A 1 20 ? -3.405 -0.072 3.813 1.00 0.00 ? 20 LEU A N 20 ATOM 27270 C CA . LEU A 1 20 ? -2.527 -0.212 2.661 1.00 0.00 ? 20 LEU A CA 20 ATOM 27271 C C . LEU A 1 20 ? -1.556 0.958 2.598 1.00 0.00 ? 20 LEU A C 20 ATOM 27272 O O . LEU A 1 20 ? -0.366 0.777 2.345 1.00 0.00 ? 20 LEU A O 20 ATOM 27273 C CB . LEU A 1 20 ? -3.349 -0.287 1.372 1.00 0.00 ? 20 LEU A CB 20 ATOM 27274 C CG . LEU A 1 20 ? -3.771 -1.696 0.955 1.00 0.00 ? 20 LEU A CG 20 ATOM 27275 C CD1 . LEU A 1 20 ? -4.953 -1.638 0.001 1.00 0.00 ? 20 LEU A CD1 20 ATOM 27276 C CD2 . LEU A 1 20 ? -2.604 -2.434 0.316 1.00 0.00 ? 20 LEU A CD2 20 ATOM 27277 H H . LEU A 1 20 ? -4.345 0.162 3.670 1.00 0.00 ? 20 LEU A H 20 ATOM 27278 H HA . LEU A 1 20 ? -1.968 -1.128 2.778 1.00 0.00 ? 20 LEU A HA 20 ATOM 27279 H HB2 . LEU A 1 20 ? -4.240 0.310 1.504 1.00 0.00 ? 20 LEU A HB2 20 ATOM 27280 H HB3 . LEU A 1 20 ? -2.764 0.141 0.573 1.00 0.00 ? 20 LEU A HB3 20 ATOM 27281 H HG . LEU A 1 20 ? -4.077 -2.248 1.832 1.00 0.00 ? 20 LEU A HG 20 ATOM 27282 H HD11 . LEU A 1 20 ? -5.443 -0.680 0.092 1.00 0.00 ? 20 LEU A HD11 20 ATOM 27283 H HD12 . LEU A 1 20 ? -4.605 -1.768 -1.013 1.00 0.00 ? 20 LEU A HD12 20 ATOM 27284 H HD13 . LEU A 1 20 ? -5.651 -2.425 0.245 1.00 0.00 ? 20 LEU A HD13 20 ATOM 27285 H HD21 . LEU A 1 20 ? -2.213 -1.848 -0.503 1.00 0.00 ? 20 LEU A HD21 20 ATOM 27286 H HD22 . LEU A 1 20 ? -1.828 -2.585 1.052 1.00 0.00 ? 20 LEU A HD22 20 ATOM 27287 H HD23 . LEU A 1 20 ? -2.941 -3.390 -0.054 1.00 0.00 ? 20 LEU A HD23 20 ATOM 27288 N N . GLN A 1 21 ? -2.074 2.160 2.841 1.00 0.00 ? 21 GLN A N 20 ATOM 27289 C CA . GLN A 1 21 ? -1.252 3.363 2.821 1.00 0.00 ? 21 GLN A CA 20 ATOM 27290 C C . GLN A 1 21 ? -0.149 3.278 3.870 1.00 0.00 ? 21 GLN A C 20 ATOM 27291 O O . GLN A 1 21 ? 1.013 3.576 3.590 1.00 0.00 ? 21 GLN A O 20 ATOM 27292 C CB . GLN A 1 21 ? -2.116 4.600 3.070 1.00 0.00 ? 21 GLN A CB 20 ATOM 27293 C CG . GLN A 1 21 ? -1.468 5.897 2.613 1.00 0.00 ? 21 GLN A CG 20 ATOM 27294 C CD . GLN A 1 21 ? -1.594 7.005 3.639 1.00 0.00 ? 21 GLN A CD 20 ATOM 27295 O OE1 . GLN A 1 21 ? -2.145 8.070 3.356 1.00 0.00 ? 21 GLN A OE1 20 ATOM 27296 N NE2 . GLN A 1 21 ? -1.084 6.761 4.840 1.00 0.00 ? 21 GLN A NE2 20 ATOM 27297 H H . GLN A 1 21 ? -3.032 2.237 3.042 1.00 0.00 ? 21 GLN A H 20 ATOM 27298 H HA . GLN A 1 21 ? -0.799 3.440 1.844 1.00 0.00 ? 21 GLN A HA 20 ATOM 27299 H HB2 . GLN A 1 21 ? -3.051 4.485 2.543 1.00 0.00 ? 21 GLN A HB2 20 ATOM 27300 H HB3 . GLN A 1 21 ? -2.317 4.677 4.129 1.00 0.00 ? 21 GLN A HB3 20 ATOM 27301 H HG2 . GLN A 1 21 ? -0.420 5.715 2.430 1.00 0.00 ? 21 GLN A HG2 20 ATOM 27302 H HG3 . GLN A 1 21 ? -1.942 6.218 1.696 1.00 0.00 ? 21 GLN A HG3 20 ATOM 27303 H HE21 . GLN A 1 21 ? -0.660 5.891 4.994 1.00 0.00 ? 21 GLN A HE21 20 ATOM 27304 H HE22 . GLN A 1 21 ? -1.151 7.461 5.523 1.00 0.00 ? 21 GLN A HE22 20 ATOM 27305 N N . LYS A 1 22 ? -0.517 2.865 5.079 1.00 0.00 ? 22 LYS A N 20 ATOM 27306 C CA . LYS A 1 22 ? 0.446 2.739 6.166 1.00 0.00 ? 22 LYS A CA 20 ATOM 27307 C C . LYS A 1 22 ? 1.507 1.697 5.829 1.00 0.00 ? 22 LYS A C 20 ATOM 27308 O O . LYS A 1 22 ? 2.666 1.827 6.223 1.00 0.00 ? 22 LYS A O 20 ATOM 27309 C CB . LYS A 1 22 ? -0.267 2.358 7.466 1.00 0.00 ? 22 LYS A CB 20 ATOM 27310 C CG . LYS A 1 22 ? -0.468 3.528 8.414 1.00 0.00 ? 22 LYS A CG 20 ATOM 27311 C CD . LYS A 1 22 ? 0.861 4.115 8.863 1.00 0.00 ? 22 LYS A CD 20 ATOM 27312 C CE . LYS A 1 22 ? 1.208 5.371 8.080 1.00 0.00 ? 22 LYS A CE 20 ATOM 27313 N NZ . LYS A 1 22 ? 1.860 6.398 8.938 1.00 0.00 ? 22 LYS A NZ 20 ATOM 27314 H H . LYS A 1 22 ? -1.459 2.639 5.243 1.00 0.00 ? 22 LYS A H 20 ATOM 27315 H HA . LYS A 1 22 ? 0.926 3.697 6.297 1.00 0.00 ? 22 LYS A HA 20 ATOM 27316 H HB2 . LYS A 1 22 ? -1.237 1.948 7.224 1.00 0.00 ? 22 LYS A HB2 20 ATOM 27317 H HB3 . LYS A 1 22 ? 0.316 1.605 7.974 1.00 0.00 ? 22 LYS A HB3 20 ATOM 27318 H HG2 . LYS A 1 22 ? -1.036 4.295 7.911 1.00 0.00 ? 22 LYS A HG2 20 ATOM 27319 H HG3 . LYS A 1 22 ? -1.012 3.186 9.283 1.00 0.00 ? 22 LYS A HG3 20 ATOM 27320 H HD2 . LYS A 1 22 ? 0.798 4.363 9.913 1.00 0.00 ? 22 LYS A HD2 20 ATOM 27321 H HD3 . LYS A 1 22 ? 1.637 3.381 8.711 1.00 0.00 ? 22 LYS A HD3 20 ATOM 27322 H HE2 . LYS A 1 22 ? 1.879 5.105 7.278 1.00 0.00 ? 22 LYS A HE2 20 ATOM 27323 H HE3 . LYS A 1 22 ? 0.299 5.785 7.666 1.00 0.00 ? 22 LYS A HE3 20 ATOM 27324 H HZ1 . LYS A 1 22 ? 2.037 6.011 9.887 1.00 0.00 ? 22 LYS A HZ1 20 ATOM 27325 H HZ2 . LYS A 1 22 ? 2.767 6.689 8.521 1.00 0.00 ? 22 LYS A HZ2 20 ATOM 27326 H HZ3 . LYS A 1 22 ? 1.247 7.234 9.024 1.00 0.00 ? 22 LYS A HZ3 20 ATOM 27327 N N . GLU A 1 23 ? 1.101 0.664 5.098 1.00 0.00 ? 23 GLU A N 20 ATOM 27328 C CA . GLU A 1 23 ? 2.015 -0.403 4.708 1.00 0.00 ? 23 GLU A CA 20 ATOM 27329 C C . GLU A 1 23 ? 3.058 0.104 3.716 1.00 0.00 ? 23 GLU A C 20 ATOM 27330 O O . GLU A 1 23 ? 4.221 -0.299 3.764 1.00 0.00 ? 23 GLU A O 20 ATOM 27331 C CB . GLU A 1 23 ? 1.238 -1.570 4.096 1.00 0.00 ? 23 GLU A CB 20 ATOM 27332 C CG . GLU A 1 23 ? 0.876 -2.652 5.101 1.00 0.00 ? 23 GLU A CG 20 ATOM 27333 C CD . GLU A 1 23 ? 0.161 -3.825 4.460 1.00 0.00 ? 23 GLU A CD 20 ATOM 27334 O OE1 . GLU A 1 23 ? -0.713 -3.590 3.600 1.00 0.00 ? 23 GLU A OE1 20 ATOM 27335 O OE2 . GLU A 1 23 ? 0.475 -4.979 4.818 1.00 0.00 ? 23 GLU A OE2 20 ATOM 27336 H H . GLU A 1 23 ? 0.163 0.617 4.816 1.00 0.00 ? 23 GLU A H 20 ATOM 27337 H HA . GLU A 1 23 ? 2.521 -0.747 5.598 1.00 0.00 ? 23 GLU A HA 20 ATOM 27338 H HB2 . GLU A 1 23 ? 0.325 -1.190 3.663 1.00 0.00 ? 23 GLU A HB2 20 ATOM 27339 H HB3 . GLU A 1 23 ? 1.837 -2.017 3.318 1.00 0.00 ? 23 GLU A HB3 20 ATOM 27340 H HG2 . GLU A 1 23 ? 1.782 -3.012 5.565 1.00 0.00 ? 23 GLU A HG2 20 ATOM 27341 H HG3 . GLU A 1 23 ? 0.232 -2.224 5.854 1.00 0.00 ? 23 GLU A HG3 20 ATOM 27342 N N . ILE A 1 24 ? 2.639 0.992 2.818 1.00 0.00 ? 24 ILE A N 20 ATOM 27343 C CA . ILE A 1 24 ? 3.550 1.546 1.822 1.00 0.00 ? 24 ILE A CA 20 ATOM 27344 C C . ILE A 1 24 ? 4.638 2.375 2.505 1.00 0.00 ? 24 ILE A C 20 ATOM 27345 O O . ILE A 1 24 ? 5.810 2.316 2.132 1.00 0.00 ? 24 ILE A O 20 ATOM 27346 C CB . ILE A 1 24 ? 2.801 2.385 0.736 1.00 0.00 ? 24 ILE A CB 20 ATOM 27347 C CG1 . ILE A 1 24 ? 2.730 3.878 1.091 1.00 0.00 ? 24 ILE A CG1 20 ATOM 27348 C CG2 . ILE A 1 24 ? 1.397 1.842 0.509 1.00 0.00 ? 24 ILE A CG2 20 ATOM 27349 C CD1 . ILE A 1 24 ? 3.972 4.645 0.691 1.00 0.00 ? 24 ILE A CD1 20 ATOM 27350 H H . ILE A 1 24 ? 1.703 1.279 2.831 1.00 0.00 ? 24 ILE A H 20 ATOM 27351 H HA . ILE A 1 24 ? 4.026 0.709 1.323 1.00 0.00 ? 24 ILE A HA 20 ATOM 27352 H HB . ILE A 1 24 ? 3.343 2.276 -0.192 1.00 0.00 ? 24 ILE A HB 20 ATOM 27353 H HG12 . ILE A 1 24 ? 1.888 4.324 0.584 1.00 0.00 ? 24 ILE A HG12 20 ATOM 27354 H HG13 . ILE A 1 24 ? 2.601 3.985 2.156 1.00 0.00 ? 24 ILE A HG13 20 ATOM 27355 H HG21 . ILE A 1 24 ? 1.397 0.772 0.653 1.00 0.00 ? 24 ILE A HG21 20 ATOM 27356 H HG22 . ILE A 1 24 ? 0.718 2.300 1.213 1.00 0.00 ? 24 ILE A HG22 20 ATOM 27357 H HG23 . ILE A 1 24 ? 1.080 2.071 -0.496 1.00 0.00 ? 24 ILE A HG23 20 ATOM 27358 H HD11 . ILE A 1 24 ? 4.689 3.964 0.254 1.00 0.00 ? 24 ILE A HD11 20 ATOM 27359 H HD12 . ILE A 1 24 ? 3.710 5.404 -0.031 1.00 0.00 ? 24 ILE A HD12 20 ATOM 27360 H HD13 . ILE A 1 24 ? 4.404 5.111 1.564 1.00 0.00 ? 24 ILE A HD13 20 ATOM 27361 N N . GLU A 1 25 ? 4.235 3.141 3.515 1.00 0.00 ? 25 GLU A N 20 ATOM 27362 C CA . GLU A 1 25 ? 5.166 3.976 4.262 1.00 0.00 ? 25 GLU A CA 20 ATOM 27363 C C . GLU A 1 25 ? 6.224 3.114 4.938 1.00 0.00 ? 25 GLU A C 20 ATOM 27364 O O . GLU A 1 25 ? 7.406 3.459 4.952 1.00 0.00 ? 25 GLU A O 20 ATOM 27365 C CB . GLU A 1 25 ? 4.419 4.807 5.307 1.00 0.00 ? 25 GLU A CB 20 ATOM 27366 C CG . GLU A 1 25 ? 4.965 6.216 5.467 1.00 0.00 ? 25 GLU A CG 20 ATOM 27367 C CD . GLU A 1 25 ? 3.946 7.279 5.108 1.00 0.00 ? 25 GLU A CD 20 ATOM 27368 O OE1 . GLU A 1 25 ? 3.608 7.399 3.912 1.00 0.00 ? 25 GLU A OE1 20 ATOM 27369 O OE2 . GLU A 1 25 ? 3.486 7.994 6.025 1.00 0.00 ? 25 GLU A OE2 20 ATOM 27370 H H . GLU A 1 25 ? 3.286 3.139 3.768 1.00 0.00 ? 25 GLU A H 20 ATOM 27371 H HA . GLU A 1 25 ? 5.652 4.641 3.563 1.00 0.00 ? 25 GLU A HA 20 ATOM 27372 H HB2 . GLU A 1 25 ? 3.381 4.877 5.020 1.00 0.00 ? 25 GLU A HB2 20 ATOM 27373 H HB3 . GLU A 1 25 ? 4.486 4.307 6.262 1.00 0.00 ? 25 GLU A HB3 20 ATOM 27374 H HG2 . GLU A 1 25 ? 5.264 6.358 6.495 1.00 0.00 ? 25 GLU A HG2 20 ATOM 27375 H HG3 . GLU A 1 25 ? 5.825 6.330 4.824 1.00 0.00 ? 25 GLU A HG3 20 ATOM 27376 N N . ARG A 1 26 ? 5.792 1.985 5.490 1.00 0.00 ? 26 ARG A N 20 ATOM 27377 C CA . ARG A 1 26 ? 6.704 1.066 6.158 1.00 0.00 ? 26 ARG A CA 20 ATOM 27378 C C . ARG A 1 26 ? 7.790 0.608 5.194 1.00 0.00 ? 26 ARG A C 20 ATOM 27379 O O . ARG A 1 26 ? 8.967 0.532 5.552 1.00 0.00 ? 26 ARG A O 20 ATOM 27380 C CB . ARG A 1 26 ? 5.939 -0.144 6.702 1.00 0.00 ? 26 ARG A CB 20 ATOM 27381 C CG . ARG A 1 26 ? 6.541 -0.722 7.972 1.00 0.00 ? 26 ARG A CG 20 ATOM 27382 C CD . ARG A 1 26 ? 6.193 -2.193 8.133 1.00 0.00 ? 26 ARG A CD 20 ATOM 27383 N NE . ARG A 1 26 ? 6.809 -3.017 7.097 1.00 0.00 ? 26 ARG A NE 20 ATOM 27384 C CZ . ARG A 1 26 ? 6.757 -4.345 7.086 1.00 0.00 ? 26 ARG A CZ 20 ATOM 27385 N NH1 . ARG A 1 26 ? 6.120 -4.994 8.051 1.00 0.00 ? 26 ARG A NH1 20 ATOM 27386 N NH2 . ARG A 1 26 ? 7.342 -5.025 6.109 1.00 0.00 ? 26 ARG A NH2 20 ATOM 27387 H H . ARG A 1 26 ? 4.838 1.762 5.441 1.00 0.00 ? 26 ARG A H 20 ATOM 27388 H HA . ARG A 1 26 ? 7.164 1.593 6.981 1.00 0.00 ? 26 ARG A HA 20 ATOM 27389 H HB2 . ARG A 1 26 ? 4.923 0.153 6.912 1.00 0.00 ? 26 ARG A HB2 20 ATOM 27390 H HB3 . ARG A 1 26 ? 5.932 -0.917 5.948 1.00 0.00 ? 26 ARG A HB3 20 ATOM 27391 H HG2 . ARG A 1 26 ? 7.615 -0.620 7.930 1.00 0.00 ? 26 ARG A HG2 20 ATOM 27392 H HG3 . ARG A 1 26 ? 6.158 -0.176 8.821 1.00 0.00 ? 26 ARG A HG3 20 ATOM 27393 H HD2 . ARG A 1 26 ? 6.539 -2.528 9.099 1.00 0.00 ? 26 ARG A HD2 20 ATOM 27394 H HD3 . ARG A 1 26 ? 5.120 -2.303 8.078 1.00 0.00 ? 26 ARG A HD3 20 ATOM 27395 H HE . ARG A 1 26 ? 7.284 -2.558 6.374 1.00 0.00 ? 26 ARG A HE 20 ATOM 27396 H HH11 . ARG A 1 26 ? 5.677 -4.484 8.789 1.00 0.00 ? 26 ARG A HH11 20 ATOM 27397 H HH12 . ARG A 1 26 ? 6.082 -5.993 8.041 1.00 0.00 ? 26 ARG A HH12 20 ATOM 27398 H HH21 . ARG A 1 26 ? 7.822 -4.539 5.380 1.00 0.00 ? 26 ARG A HH21 20 ATOM 27399 H HH22 . ARG A 1 26 ? 7.302 -6.024 6.102 1.00 0.00 ? 26 ARG A HH22 20 ATOM 27400 N N . HIS A 1 27 ? 7.389 0.321 3.958 1.00 0.00 ? 27 HIS A N 20 ATOM 27401 C CA . HIS A 1 27 ? 8.330 -0.112 2.939 1.00 0.00 ? 27 HIS A CA 20 ATOM 27402 C C . HIS A 1 27 ? 9.281 1.026 2.593 1.00 0.00 ? 27 HIS A C 20 ATOM 27403 O O . HIS A 1 27 ? 10.414 0.796 2.173 1.00 0.00 ? 27 HIS A O 20 ATOM 27404 C CB . HIS A 1 27 ? 7.587 -0.579 1.688 1.00 0.00 ? 27 HIS A CB 20 ATOM 27405 C CG . HIS A 1 27 ? 7.874 -2.002 1.320 1.00 0.00 ? 27 HIS A CG 20 ATOM 27406 N ND1 . HIS A 1 27 ? 9.018 -2.391 0.653 1.00 0.00 ? 27 HIS A ND1 20 ATOM 27407 C CD2 . HIS A 1 27 ? 7.161 -3.133 1.532 1.00 0.00 ? 27 HIS A CD2 20 ATOM 27408 C CE1 . HIS A 1 27 ? 8.994 -3.699 0.469 1.00 0.00 ? 27 HIS A CE1 20 ATOM 27409 N NE2 . HIS A 1 27 ? 7.879 -4.172 0.994 1.00 0.00 ? 27 HIS A NE2 20 ATOM 27410 H H . HIS A 1 27 ? 6.440 0.415 3.724 1.00 0.00 ? 27 HIS A H 20 ATOM 27411 H HA . HIS A 1 27 ? 8.901 -0.935 3.341 1.00 0.00 ? 27 HIS A HA 20 ATOM 27412 H HB2 . HIS A 1 27 ? 6.524 -0.488 1.853 1.00 0.00 ? 27 HIS A HB2 20 ATOM 27413 H HB3 . HIS A 1 27 ? 7.871 0.045 0.854 1.00 0.00 ? 27 HIS A HB3 20 ATOM 27414 H HD1 . HIS A 1 27 ? 9.738 -1.797 0.356 1.00 0.00 ? 27 HIS A HD1 20 ATOM 27415 H HD2 . HIS A 1 27 ? 6.205 -3.204 2.031 1.00 0.00 ? 27 HIS A HD2 20 ATOM 27416 H HE1 . HIS A 1 27 ? 9.757 -4.282 -0.024 1.00 0.00 ? 27 HIS A HE1 20 ATOM 27417 H HE2 . HIS A 1 27 ? 7.610 -5.115 0.998 1.00 0.00 ? 27 HIS A HE2 20 ATOM 27418 N N . LYS A 1 28 ? 8.807 2.257 2.779 1.00 0.00 ? 28 LYS A N 20 ATOM 27419 C CA . LYS A 1 28 ? 9.612 3.437 2.495 1.00 0.00 ? 28 LYS A CA 20 ATOM 27420 C C . LYS A 1 28 ? 10.704 3.607 3.543 1.00 0.00 ? 28 LYS A C 20 ATOM 27421 O O . LYS A 1 28 ? 11.792 4.101 3.247 1.00 0.00 ? 28 LYS A O 20 ATOM 27422 C CB . LYS A 1 28 ? 8.728 4.685 2.454 1.00 0.00 ? 28 LYS A CB 20 ATOM 27423 C CG . LYS A 1 28 ? 9.092 5.652 1.340 1.00 0.00 ? 28 LYS A CG 20 ATOM 27424 C CD . LYS A 1 28 ? 9.366 7.047 1.880 1.00 0.00 ? 28 LYS A CD 20 ATOM 27425 C CE . LYS A 1 28 ? 8.155 7.952 1.725 1.00 0.00 ? 28 LYS A CE 20 ATOM 27426 N NZ . LYS A 1 28 ? 8.519 9.392 1.832 1.00 0.00 ? 28 LYS A NZ 20 ATOM 27427 H H . LYS A 1 28 ? 7.897 2.373 3.118 1.00 0.00 ? 28 LYS A H 20 ATOM 27428 H HA . LYS A 1 28 ? 10.072 3.301 1.531 1.00 0.00 ? 28 LYS A HA 20 ATOM 27429 H HB2 . LYS A 1 28 ? 7.701 4.381 2.316 1.00 0.00 ? 28 LYS A HB2 20 ATOM 27430 H HB3 . LYS A 1 28 ? 8.816 5.207 3.396 1.00 0.00 ? 28 LYS A HB3 20 ATOM 27431 H HG2 . LYS A 1 28 ? 9.977 5.292 0.838 1.00 0.00 ? 28 LYS A HG2 20 ATOM 27432 H HG3 . LYS A 1 28 ? 8.273 5.703 0.637 1.00 0.00 ? 28 LYS A HG3 20 ATOM 27433 H HD2 . LYS A 1 28 ? 9.617 6.975 2.927 1.00 0.00 ? 28 LYS A HD2 20 ATOM 27434 H HD3 . LYS A 1 28 ? 10.196 7.475 1.337 1.00 0.00 ? 28 LYS A HD3 20 ATOM 27435 H HE2 . LYS A 1 28 ? 7.708 7.775 0.758 1.00 0.00 ? 28 LYS A HE2 20 ATOM 27436 H HE3 . LYS A 1 28 ? 7.441 7.712 2.499 1.00 0.00 ? 28 LYS A HE3 20 ATOM 27437 H HZ1 . LYS A 1 28 ? 9.524 9.488 2.084 1.00 0.00 ? 28 LYS A HZ1 20 ATOM 27438 H HZ2 . LYS A 1 28 ? 8.354 9.871 0.924 1.00 0.00 ? 28 LYS A HZ2 20 ATOM 27439 H HZ3 . LYS A 1 28 ? 7.943 9.853 2.564 1.00 0.00 ? 28 LYS A HZ3 20 ATOM 27440 N N . GLN A 1 29 ? 10.406 3.192 4.770 1.00 0.00 ? 29 GLN A N 20 ATOM 27441 C CA . GLN A 1 29 ? 11.363 3.293 5.864 1.00 0.00 ? 29 GLN A CA 20 ATOM 27442 C C . GLN A 1 29 ? 12.518 2.318 5.661 1.00 0.00 ? 29 GLN A C 20 ATOM 27443 O O . GLN A 1 29 ? 13.677 2.657 5.896 1.00 0.00 ? 29 GLN A O 20 ATOM 27444 C CB . GLN A 1 29 ? 10.674 3.017 7.201 1.00 0.00 ? 29 GLN A CB 20 ATOM 27445 C CG . GLN A 1 29 ? 11.295 3.762 8.371 1.00 0.00 ? 29 GLN A CG 20 ATOM 27446 C CD . GLN A 1 29 ? 10.661 5.120 8.600 1.00 0.00 ? 29 GLN A CD 20 ATOM 27447 O OE1 . GLN A 1 29 ? 9.569 5.399 8.104 1.00 0.00 ? 29 GLN A OE1 20 ATOM 27448 N NE2 . GLN A 1 29 ? 11.343 5.973 9.355 1.00 0.00 ? 29 GLN A NE2 20 ATOM 27449 H H . GLN A 1 29 ? 9.522 2.805 4.942 1.00 0.00 ? 29 GLN A H 20 ATOM 27450 H HA . GLN A 1 29 ? 11.754 4.299 5.871 1.00 0.00 ? 29 GLN A HA 20 ATOM 27451 H HB2 . GLN A 1 29 ? 9.637 3.309 7.126 1.00 0.00 ? 29 GLN A HB2 20 ATOM 27452 H HB3 . GLN A 1 29 ? 10.727 1.958 7.408 1.00 0.00 ? 29 GLN A HB3 20 ATOM 27453 H HG2 . GLN A 1 29 ? 11.173 3.170 9.265 1.00 0.00 ? 29 GLN A HG2 20 ATOM 27454 H HG3 . GLN A 1 29 ? 12.348 3.903 8.173 1.00 0.00 ? 29 GLN A HG3 20 ATOM 27455 H HE21 . GLN A 1 29 ? 12.206 5.683 9.717 1.00 0.00 ? 29 GLN A HE21 20 ATOM 27456 H HE22 . GLN A 1 29 ? 10.956 6.858 9.520 1.00 0.00 ? 29 GLN A HE22 20 ATOM 27457 N N . SER A 1 30 ? 12.191 1.106 5.222 1.00 0.00 ? 30 SER A N 20 ATOM 27458 C CA . SER A 1 30 ? 13.206 0.084 4.987 1.00 0.00 ? 30 SER A CA 20 ATOM 27459 C C . SER A 1 30 ? 14.100 0.461 3.808 1.00 0.00 ? 30 SER A C 20 ATOM 27460 O O . SER A 1 30 ? 15.321 0.324 3.873 1.00 0.00 ? 30 SER A O 20 ATOM 27461 C CB . SER A 1 30 ? 12.543 -1.271 4.725 1.00 0.00 ? 30 SER A CB 20 ATOM 27462 O OG . SER A 1 30 ? 13.010 -2.252 5.636 1.00 0.00 ? 30 SER A OG 20 ATOM 27463 H H . SER A 1 30 ? 11.247 0.895 5.053 1.00 0.00 ? 30 SER A H 20 ATOM 27464 H HA . SER A 1 30 ? 13.814 0.011 5.875 1.00 0.00 ? 30 SER A HA 20 ATOM 27465 H HB2 . SER A 1 30 ? 11.473 -1.174 4.838 1.00 0.00 ? 30 SER A HB2 20 ATOM 27466 H HB3 . SER A 1 30 ? 12.772 -1.593 3.720 1.00 0.00 ? 30 SER A HB3 20 ATOM 27467 H HG . SER A 1 30 ? 13.461 -2.948 5.153 1.00 0.00 ? 30 SER A HG 20 ATOM 27468 N N . ILE A 1 31 ? 13.483 0.937 2.732 1.00 0.00 ? 31 ILE A N 20 ATOM 27469 C CA . ILE A 1 31 ? 14.219 1.336 1.535 1.00 0.00 ? 31 ILE A CA 20 ATOM 27470 C C . ILE A 1 31 ? 15.024 2.607 1.784 1.00 0.00 ? 31 ILE A C 20 ATOM 27471 O O . ILE A 1 31 ? 16.034 2.854 1.124 1.00 0.00 ? 31 ILE A O 20 ATOM 27472 C CB . ILE A 1 31 ? 13.266 1.563 0.343 1.00 0.00 ? 31 ILE A CB 20 ATOM 27473 C CG1 . ILE A 1 31 ? 14.038 1.991 -0.905 1.00 0.00 ? 31 ILE A CG1 20 ATOM 27474 C CG2 . ILE A 1 31 ? 12.226 2.618 0.685 1.00 0.00 ? 31 ILE A CG2 20 ATOM 27475 C CD1 . ILE A 1 31 ? 14.797 0.866 -1.566 1.00 0.00 ? 31 ILE A CD1 20 ATOM 27476 H H . ILE A 1 31 ? 12.506 1.021 2.743 1.00 0.00 ? 31 ILE A H 20 ATOM 27477 H HA . ILE A 1 31 ? 14.897 0.536 1.279 1.00 0.00 ? 31 ILE A HA 20 ATOM 27478 H HB . ILE A 1 31 ? 12.756 0.631 0.140 1.00 0.00 ? 31 ILE A HB 20 ATOM 27479 H HG12 . ILE A 1 31 ? 13.338 2.384 -1.631 1.00 0.00 ? 31 ILE A HG12 20 ATOM 27480 H HG13 . ILE A 1 31 ? 14.745 2.761 -0.639 1.00 0.00 ? 31 ILE A HG13 20 ATOM 27481 H HG21 . ILE A 1 31 ? 11.791 2.401 1.648 1.00 0.00 ? 31 ILE A HG21 20 ATOM 27482 H HG22 . ILE A 1 31 ? 12.696 3.590 0.714 1.00 0.00 ? 31 ILE A HG22 20 ATOM 27483 H HG23 . ILE A 1 31 ? 11.451 2.616 -0.066 1.00 0.00 ? 31 ILE A HG23 20 ATOM 27484 H HD11 . ILE A 1 31 ? 15.275 0.262 -0.809 1.00 0.00 ? 31 ILE A HD11 20 ATOM 27485 H HD12 . ILE A 1 31 ? 14.108 0.257 -2.132 1.00 0.00 ? 31 ILE A HD12 20 ATOM 27486 H HD13 . ILE A 1 31 ? 15.545 1.275 -2.227 1.00 0.00 ? 31 ILE A HD13 20 ATOM 27487 N N . LYS A 1 32 ? 14.575 3.408 2.746 1.00 0.00 ? 32 LYS A N 20 ATOM 27488 C CA . LYS A 1 32 ? 15.258 4.652 3.083 1.00 0.00 ? 32 LYS A CA 20 ATOM 27489 C C . LYS A 1 32 ? 16.502 4.381 3.923 1.00 0.00 ? 32 LYS A C 20 ATOM 27490 O O . LYS A 1 32 ? 17.516 5.065 3.787 1.00 0.00 ? 32 LYS A O 20 ATOM 27491 C CB . LYS A 1 32 ? 14.313 5.588 3.838 1.00 0.00 ? 32 LYS A CB 20 ATOM 27492 C CG . LYS A 1 32 ? 13.369 6.361 2.931 1.00 0.00 ? 32 LYS A CG 20 ATOM 27493 C CD . LYS A 1 32 ? 12.258 7.031 3.724 1.00 0.00 ? 32 LYS A CD 20 ATOM 27494 C CE . LYS A 1 32 ? 12.817 7.935 4.811 1.00 0.00 ? 32 LYS A CE 20 ATOM 27495 N NZ . LYS A 1 32 ? 13.394 9.188 4.248 1.00 0.00 ? 32 LYS A NZ 20 ATOM 27496 H H . LYS A 1 32 ? 13.768 3.156 3.241 1.00 0.00 ? 32 LYS A H 20 ATOM 27497 H HA . LYS A 1 32 ? 15.559 5.125 2.161 1.00 0.00 ? 32 LYS A HA 20 ATOM 27498 H HB2 . LYS A 1 32 ? 13.719 5.005 4.526 1.00 0.00 ? 32 LYS A HB2 20 ATOM 27499 H HB3 . LYS A 1 32 ? 14.901 6.300 4.399 1.00 0.00 ? 32 LYS A HB3 20 ATOM 27500 H HG2 . LYS A 1 32 ? 13.930 7.119 2.405 1.00 0.00 ? 32 LYS A HG2 20 ATOM 27501 H HG3 . LYS A 1 32 ? 12.930 5.677 2.220 1.00 0.00 ? 32 LYS A HG3 20 ATOM 27502 H HD2 . LYS A 1 32 ? 11.656 7.623 3.052 1.00 0.00 ? 32 LYS A HD2 20 ATOM 27503 H HD3 . LYS A 1 32 ? 11.647 6.268 4.182 1.00 0.00 ? 32 LYS A HD3 20 ATOM 27504 H HE2 . LYS A 1 32 ? 12.021 8.191 5.493 1.00 0.00 ? 32 LYS A HE2 20 ATOM 27505 H HE3 . LYS A 1 32 ? 13.590 7.400 5.343 1.00 0.00 ? 32 LYS A HE3 20 ATOM 27506 H HZ1 . LYS A 1 32 ? 13.185 9.253 3.232 1.00 0.00 ? 32 LYS A HZ1 20 ATOM 27507 H HZ2 . LYS A 1 32 ? 12.987 10.015 4.729 1.00 0.00 ? 32 LYS A HZ2 20 ATOM 27508 H HZ3 . LYS A 1 32 ? 14.426 9.197 4.379 1.00 0.00 ? 32 LYS A HZ3 20 ATOM 27509 N N . LYS A 1 33 ? 16.418 3.377 4.790 1.00 0.00 ? 33 LYS A N 20 ATOM 27510 C CA . LYS A 1 33 ? 17.540 3.015 5.650 1.00 0.00 ? 33 LYS A CA 20 ATOM 27511 C C . LYS A 1 33 ? 18.564 2.190 4.881 1.00 0.00 ? 33 LYS A C 20 ATOM 27512 O O . LYS A 1 33 ? 19.753 2.199 5.204 1.00 0.00 ? 33 LYS A O 20 ATOM 27513 C CB . LYS A 1 33 ? 17.045 2.233 6.868 1.00 0.00 ? 33 LYS A CB 20 ATOM 27514 C CG . LYS A 1 33 ? 18.133 1.952 7.893 1.00 0.00 ? 33 LYS A CG 20 ATOM 27515 C CD . LYS A 1 33 ? 18.470 3.195 8.701 1.00 0.00 ? 33 LYS A CD 20 ATOM 27516 C CE . LYS A 1 33 ? 19.011 2.835 10.076 1.00 0.00 ? 33 LYS A CE 20 ATOM 27517 N NZ . LYS A 1 33 ? 20.297 3.528 10.365 1.00 0.00 ? 33 LYS A NZ 20 ATOM 27518 H H . LYS A 1 33 ? 15.584 2.866 4.853 1.00 0.00 ? 33 LYS A H 20 ATOM 27519 H HA . LYS A 1 33 ? 18.008 3.929 5.985 1.00 0.00 ? 33 LYS A HA 20 ATOM 27520 H HB2 . LYS A 1 33 ? 16.263 2.799 7.352 1.00 0.00 ? 33 LYS A HB2 20 ATOM 27521 H HB3 . LYS A 1 33 ? 16.642 1.289 6.536 1.00 0.00 ? 33 LYS A HB3 20 ATOM 27522 H HG2 . LYS A 1 33 ? 17.790 1.181 8.565 1.00 0.00 ? 33 LYS A HG2 20 ATOM 27523 H HG3 . LYS A 1 33 ? 19.021 1.616 7.378 1.00 0.00 ? 33 LYS A HG3 20 ATOM 27524 H HD2 . LYS A 1 33 ? 19.217 3.766 8.171 1.00 0.00 ? 33 LYS A HD2 20 ATOM 27525 H HD3 . LYS A 1 33 ? 17.576 3.790 8.819 1.00 0.00 ? 33 LYS A HD3 20 ATOM 27526 H HE2 . LYS A 1 33 ? 18.283 3.121 10.821 1.00 0.00 ? 33 LYS A HE2 20 ATOM 27527 H HE3 . LYS A 1 33 ? 19.169 1.767 10.118 1.00 0.00 ? 33 LYS A HE3 20 ATOM 27528 H HZ1 . LYS A 1 33 ? 20.886 3.561 9.509 1.00 0.00 ? 33 LYS A HZ1 20 ATOM 27529 H HZ2 . LYS A 1 33 ? 20.115 4.499 10.688 1.00 0.00 ? 33 LYS A HZ2 20 ATOM 27530 H HZ3 . LYS A 1 33 ? 20.817 3.019 11.110 1.00 0.00 ? 33 LYS A HZ3 20 ATOM 27531 N N . LEU A 1 34 ? 18.096 1.479 3.861 1.00 0.00 ? 34 LEU A N 20 ATOM 27532 C CA . LEU A 1 34 ? 18.970 0.649 3.042 1.00 0.00 ? 34 LEU A CA 20 ATOM 27533 C C . LEU A 1 34 ? 19.698 1.495 2.003 1.00 0.00 ? 34 LEU A C 20 ATOM 27534 O O . LEU A 1 34 ? 20.809 1.167 1.588 1.00 0.00 ? 34 LEU A O 20 ATOM 27535 C CB . LEU A 1 34 ? 18.162 -0.452 2.352 1.00 0.00 ? 34 LEU A CB 20 ATOM 27536 C CG . LEU A 1 34 ? 18.426 -1.867 2.868 1.00 0.00 ? 34 LEU A CG 20 ATOM 27537 C CD1 . LEU A 1 34 ? 17.317 -2.811 2.430 1.00 0.00 ? 34 LEU A CD1 20 ATOM 27538 C CD2 . LEU A 1 34 ? 19.778 -2.368 2.380 1.00 0.00 ? 34 LEU A CD2 20 ATOM 27539 H H . LEU A 1 34 ? 17.140 1.516 3.653 1.00 0.00 ? 34 LEU A H 20 ATOM 27540 H HA . LEU A 1 34 ? 19.701 0.194 3.694 1.00 0.00 ? 34 LEU A HA 20 ATOM 27541 H HB2 . LEU A 1 34 ? 17.112 -0.234 2.482 1.00 0.00 ? 34 LEU A HB2 20 ATOM 27542 H HB3 . LEU A 1 34 ? 18.389 -0.429 1.297 1.00 0.00 ? 34 LEU A HB3 20 ATOM 27543 H HG . LEU A 1 34 ? 18.444 -1.852 3.948 1.00 0.00 ? 34 LEU A HG 20 ATOM 27544 H HD11 . LEU A 1 34 ? 16.359 -2.382 2.683 1.00 0.00 ? 34 LEU A HD11 20 ATOM 27545 H HD12 . LEU A 1 34 ? 17.373 -2.962 1.361 1.00 0.00 ? 34 LEU A HD12 20 ATOM 27546 H HD13 . LEU A 1 34 ? 17.431 -3.759 2.933 1.00 0.00 ? 34 LEU A HD13 20 ATOM 27547 H HD21 . LEU A 1 34 ? 20.510 -1.581 2.478 1.00 0.00 ? 34 LEU A HD21 20 ATOM 27548 H HD22 . LEU A 1 34 ? 20.082 -3.219 2.972 1.00 0.00 ? 34 LEU A HD22 20 ATOM 27549 H HD23 . LEU A 1 34 ? 19.700 -2.660 1.344 1.00 0.00 ? 34 LEU A HD23 20 ATOM 27550 N N . LYS A 1 35 ? 19.065 2.589 1.590 1.00 0.00 ? 35 LYS A N 20 ATOM 27551 C CA . LYS A 1 35 ? 19.654 3.484 0.602 1.00 0.00 ? 35 LYS A CA 20 ATOM 27552 C C . LYS A 1 35 ? 20.687 4.400 1.250 1.00 0.00 ? 35 LYS A C 20 ATOM 27553 O O . LYS A 1 35 ? 21.715 4.715 0.650 1.00 0.00 ? 35 LYS A O 20 ATOM 27554 C CB . LYS A 1 35 ? 18.565 4.321 -0.074 1.00 0.00 ? 35 LYS A CB 20 ATOM 27555 C CG . LYS A 1 35 ? 18.060 3.724 -1.378 1.00 0.00 ? 35 LYS A CG 20 ATOM 27556 C CD . LYS A 1 35 ? 17.252 4.734 -2.176 1.00 0.00 ? 35 LYS A CD 20 ATOM 27557 C CE . LYS A 1 35 ? 16.366 4.050 -3.204 1.00 0.00 ? 35 LYS A CE 20 ATOM 27558 N NZ . LYS A 1 35 ? 15.329 4.972 -3.744 1.00 0.00 ? 35 LYS A NZ 20 ATOM 27559 H H . LYS A 1 35 ? 18.181 2.799 1.960 1.00 0.00 ? 35 LYS A H 20 ATOM 27560 H HA . LYS A 1 35 ? 20.145 2.877 -0.144 1.00 0.00 ? 35 LYS A HA 20 ATOM 27561 H HB2 . LYS A 1 35 ? 17.729 4.415 0.602 1.00 0.00 ? 35 LYS A HB2 20 ATOM 27562 H HB3 . LYS A 1 35 ? 18.961 5.304 -0.283 1.00 0.00 ? 35 LYS A HB3 20 ATOM 27563 H HG2 . LYS A 1 35 ? 18.906 3.407 -1.969 1.00 0.00 ? 35 LYS A HG2 20 ATOM 27564 H HG3 . LYS A 1 35 ? 17.435 2.872 -1.154 1.00 0.00 ? 35 LYS A HG3 20 ATOM 27565 H HD2 . LYS A 1 35 ? 16.630 5.300 -1.499 1.00 0.00 ? 35 LYS A HD2 20 ATOM 27566 H HD3 . LYS A 1 35 ? 17.932 5.401 -2.687 1.00 0.00 ? 35 LYS A HD3 20 ATOM 27567 H HE2 . LYS A 1 35 ? 16.983 3.702 -4.018 1.00 0.00 ? 35 LYS A HE2 20 ATOM 27568 H HE3 . LYS A 1 35 ? 15.879 3.207 -2.736 1.00 0.00 ? 35 LYS A HE3 20 ATOM 27569 H HZ1 . LYS A 1 35 ? 14.799 5.411 -2.963 1.00 0.00 ? 35 LYS A HZ1 20 ATOM 27570 H HZ2 . LYS A 1 35 ? 15.776 5.722 -4.309 1.00 0.00 ? 35 LYS A HZ2 20 ATOM 27571 H HZ3 . LYS A 1 35 ? 14.664 4.448 -4.348 1.00 0.00 ? 35 LYS A HZ3 20 ATOM 27572 N N . GLN A 1 36 ? 20.408 4.820 2.479 1.00 0.00 ? 36 GLN A N 20 ATOM 27573 C CA . GLN A 1 36 ? 21.316 5.698 3.210 1.00 0.00 ? 36 GLN A CA 20 ATOM 27574 C C . GLN A 1 36 ? 22.488 4.907 3.779 1.00 0.00 ? 36 GLN A C 20 ATOM 27575 O O . GLN A 1 36 ? 23.588 5.437 3.938 1.00 0.00 ? 36 GLN A O 20 ATOM 27576 C CB . GLN A 1 36 ? 20.570 6.413 4.338 1.00 0.00 ? 36 GLN A CB 20 ATOM 27577 C CG . GLN A 1 36 ? 20.928 7.885 4.467 1.00 0.00 ? 36 GLN A CG 20 ATOM 27578 C CD . GLN A 1 36 ? 20.180 8.570 5.593 1.00 0.00 ? 36 GLN A CD 20 ATOM 27579 O OE1 . GLN A 1 36 ? 20.767 8.936 6.612 1.00 0.00 ? 36 GLN A OE1 20 ATOM 27580 N NE2 . GLN A 1 36 ? 18.876 8.747 5.415 1.00 0.00 ? 36 GLN A NE2 20 ATOM 27581 H H . GLN A 1 36 ? 19.574 4.534 2.906 1.00 0.00 ? 36 GLN A H 20 ATOM 27582 H HA . GLN A 1 36 ? 21.695 6.433 2.517 1.00 0.00 ? 36 GLN A HA 20 ATOM 27583 H HB2 . GLN A 1 36 ? 19.508 6.337 4.157 1.00 0.00 ? 36 GLN A HB2 20 ATOM 27584 H HB3 . GLN A 1 36 ? 20.802 5.925 5.273 1.00 0.00 ? 36 GLN A HB3 20 ATOM 27585 H HG2 . GLN A 1 36 ? 21.988 7.968 4.656 1.00 0.00 ? 36 GLN A HG2 20 ATOM 27586 H HG3 . GLN A 1 36 ? 20.688 8.382 3.538 1.00 0.00 ? 36 GLN A HG3 20 ATOM 27587 H HE21 . GLN A 1 36 ? 18.475 8.431 4.579 1.00 0.00 ? 36 GLN A HE21 20 ATOM 27588 H HE22 . GLN A 1 36 ? 18.368 9.189 6.128 1.00 0.00 ? 36 GLN A HE22 20 ATOM 27589 N N . SER A 1 37 ? 22.245 3.636 4.084 1.00 0.00 ? 37 SER A N 20 ATOM 27590 C CA . SER A 1 37 ? 23.282 2.771 4.633 1.00 0.00 ? 37 SER A CA 20 ATOM 27591 C C . SER A 1 37 ? 24.204 2.263 3.531 1.00 0.00 ? 37 SER A C 20 ATOM 27592 O O . SER A 1 37 ? 25.368 1.949 3.778 1.00 0.00 ? 37 SER A O 20 ATOM 27593 C CB . SER A 1 37 ? 22.649 1.589 5.371 1.00 0.00 ? 37 SER A CB 20 ATOM 27594 O OG . SER A 1 37 ? 21.881 0.789 4.490 1.00 0.00 ? 37 SER A OG 20 ATOM 27595 H H . SER A 1 37 ? 21.348 3.272 3.933 1.00 0.00 ? 37 SER A H 20 ATOM 27596 H HA . SER A 1 37 ? 23.862 3.353 5.333 1.00 0.00 ? 37 SER A HA 20 ATOM 27597 H HB2 . SER A 1 37 ? 23.428 0.979 5.803 1.00 0.00 ? 37 SER A HB2 20 ATOM 27598 H HB3 . SER A 1 37 ? 22.006 1.960 6.155 1.00 0.00 ? 37 SER A HB3 20 ATOM 27599 H HG . SER A 1 37 ? 22.286 -0.077 4.408 1.00 0.00 ? 37 SER A HG 20 ATOM 27600 N N . GLU A 1 38 ? 23.676 2.187 2.313 1.00 0.00 ? 38 GLU A N 20 ATOM 27601 C CA . GLU A 1 38 ? 24.455 1.718 1.172 1.00 0.00 ? 38 GLU A CA 20 ATOM 27602 C C . GLU A 1 38 ? 25.386 2.814 0.663 1.00 0.00 ? 38 GLU A C 20 ATOM 27603 O O . GLU A 1 38 ? 26.418 2.531 0.055 1.00 0.00 ? 38 GLU A O 20 ATOM 27604 C CB . GLU A 1 38 ? 23.525 1.260 0.047 1.00 0.00 ? 38 GLU A CB 20 ATOM 27605 C CG . GLU A 1 38 ? 23.522 -0.246 -0.164 1.00 0.00 ? 38 GLU A CG 20 ATOM 27606 C CD . GLU A 1 38 ? 23.482 -0.629 -1.630 1.00 0.00 ? 38 GLU A CD 20 ATOM 27607 O OE1 . GLU A 1 38 ? 23.022 0.197 -2.447 1.00 0.00 ? 38 GLU A OE1 20 ATOM 27608 O OE2 . GLU A 1 38 ? 23.911 -1.754 -1.961 1.00 0.00 ? 38 GLU A OE2 20 ATOM 27609 H H . GLU A 1 38 ? 22.743 2.453 2.178 1.00 0.00 ? 38 GLU A H 20 ATOM 27610 H HA . GLU A 1 38 ? 25.050 0.879 1.499 1.00 0.00 ? 38 GLU A HA 20 ATOM 27611 H HB2 . GLU A 1 38 ? 22.516 1.571 0.279 1.00 0.00 ? 38 GLU A HB2 20 ATOM 27612 H HB3 . GLU A 1 38 ? 23.834 1.730 -0.875 1.00 0.00 ? 38 GLU A HB3 20 ATOM 27613 H HG2 . GLU A 1 38 ? 24.417 -0.659 0.276 1.00 0.00 ? 38 GLU A HG2 20 ATOM 27614 H HG3 . GLU A 1 38 ? 22.654 -0.664 0.326 1.00 0.00 ? 38 GLU A HG3 20 ATOM 27615 N N . ASP A 1 39 ? 25.015 4.064 0.917 1.00 0.00 ? 39 ASP A N 20 ATOM 27616 C CA . ASP A 1 39 ? 25.818 5.202 0.485 1.00 0.00 ? 39 ASP A CA 20 ATOM 27617 C C . ASP A 1 39 ? 27.057 5.357 1.361 1.00 0.00 ? 39 ASP A C 20 ATOM 27618 O O . ASP A 1 39 ? 28.088 5.857 0.911 1.00 0.00 ? 39 ASP A O 20 ATOM 27619 C CB . ASP A 1 39 ? 24.987 6.486 0.526 1.00 0.00 ? 39 ASP A CB 20 ATOM 27620 C CG . ASP A 1 39 ? 24.900 7.163 -0.827 1.00 0.00 ? 39 ASP A CG 20 ATOM 27621 O OD1 . ASP A 1 39 ? 24.011 6.789 -1.622 1.00 0.00 ? 39 ASP A OD1 20 ATOM 27622 O OD2 . ASP A 1 39 ? 25.719 8.066 -1.093 1.00 0.00 ? 39 ASP A OD2 20 ATOM 27623 H H . ASP A 1 39 ? 24.181 4.226 1.407 1.00 0.00 ? 39 ASP A H 20 ATOM 27624 H HA . ASP A 1 39 ? 26.131 5.020 -0.533 1.00 0.00 ? 39 ASP A HA 20 ATOM 27625 H HB2 . ASP A 1 39 ? 23.985 6.248 0.854 1.00 0.00 ? 39 ASP A HB2 20 ATOM 27626 H HB3 . ASP A 1 39 ? 25.437 7.176 1.226 1.00 0.00 ? 39 ASP A HB3 20 ATOM 27627 N N . ASP A 1 40 ? 26.950 4.923 2.612 1.00 0.00 ? 40 ASP A N 20 ATOM 27628 C CA . ASP A 1 40 ? 28.062 5.013 3.551 1.00 0.00 ? 40 ASP A CA 20 ATOM 27629 C C . ASP A 1 40 ? 28.595 3.627 3.897 1.00 0.00 ? 40 ASP A C 20 ATOM 27630 O O . ASP A 1 40 ? 27.877 2.796 4.452 1.00 0.00 ? 40 ASP A O 20 ATOM 27631 C CB . ASP A 1 40 ? 27.623 5.737 4.825 1.00 0.00 ? 40 ASP A CB 20 ATOM 27632 C CG . ASP A 1 40 ? 28.753 5.880 5.826 1.00 0.00 ? 40 ASP A CG 20 ATOM 27633 O OD1 . ASP A 1 40 ? 29.491 6.884 5.749 1.00 0.00 ? 40 ASP A OD1 20 ATOM 27634 O OD2 . ASP A 1 40 ? 28.900 4.987 6.687 1.00 0.00 ? 40 ASP A OD2 20 ATOM 27635 H H . ASP A 1 40 ? 26.101 4.534 2.911 1.00 0.00 ? 40 ASP A H 20 ATOM 27636 H HA . ASP A 1 40 ? 28.849 5.580 3.078 1.00 0.00 ? 40 ASP A HA 20 ATOM 27637 H HB2 . ASP A 1 40 ? 27.270 6.724 4.568 1.00 0.00 ? 40 ASP A HB2 20 ATOM 27638 H HB3 . ASP A 1 40 ? 26.822 5.181 5.290 1.00 0.00 ? 40 ASP A HB3 20 ATOM 27639 N N . ASP A 1 41 ? 29.859 3.384 3.565 1.00 0.00 ? 41 ASP A N 20 ATOM 27640 C CA . ASP A 1 41 ? 30.488 2.098 3.840 1.00 0.00 ? 41 ASP A CA 20 ATOM 27641 C C . ASP A 1 41 ? 30.474 1.795 5.336 1.00 0.00 ? 41 ASP A C 20 ATOM 27642 O O . ASP A 1 41 ? 31.013 2.615 6.109 1.00 0.00 ? 41 ASP A O 20 ATOM 27643 C CB . ASP A 1 41 ? 31.926 2.088 3.319 1.00 0.00 ? 41 ASP A CB 20 ATOM 27644 C CG . ASP A 1 41 ? 32.163 0.993 2.299 1.00 0.00 ? 41 ASP A CG 20 ATOM 27645 O OD1 . ASP A 1 41 ? 31.967 1.253 1.093 1.00 0.00 ? 41 ASP A OD1 20 ATOM 27646 O OD2 . ASP A 1 41 ? 32.547 -0.125 2.704 1.00 0.00 ? 41 ASP A OD2 20 ATOM 27647 O OXT . ASP A 1 41 ? 29.925 0.742 5.721 1.00 0.00 ? 41 ASP A OXT 20 ATOM 27648 H H . ASP A 1 41 ? 30.380 4.086 3.124 1.00 0.00 ? 41 ASP A H 20 ATOM 27649 H HA . ASP A 1 41 ? 29.922 1.336 3.327 1.00 0.00 ? 41 ASP A HA 20 ATOM 27650 H HB2 . ASP A 1 41 ? 32.141 3.039 2.856 1.00 0.00 ? 41 ASP A HB2 20 ATOM 27651 H HB3 . ASP A 1 41 ? 32.602 1.935 4.148 1.00 0.00 ? 41 ASP A HB3 20 ATOM 27652 N N . ALA B 1 1 ? 28.677 -13.533 0.571 1.00 0.00 ? 1 ALA B N 20 ATOM 27653 C CA . ALA B 1 1 ? 30.032 -12.958 0.780 1.00 0.00 ? 1 ALA B CA 20 ATOM 27654 C C . ALA B 1 1 ? 30.087 -11.506 0.319 1.00 0.00 ? 1 ALA B C 20 ATOM 27655 O O . ALA B 1 1 ? 30.319 -10.600 1.118 1.00 0.00 ? 1 ALA B O 20 ATOM 27656 C CB . ALA B 1 1 ? 31.074 -13.786 0.043 1.00 0.00 ? 1 ALA B CB 20 ATOM 27657 H H1 . ALA B 1 1 ? 27.988 -12.757 0.654 1.00 0.00 ? 1 ALA B H1 20 ATOM 27658 H H2 . ALA B 1 1 ? 28.655 -13.955 -0.378 1.00 0.00 ? 1 ALA B H2 20 ATOM 27659 H H3 . ALA B 1 1 ? 28.521 -14.253 1.304 1.00 0.00 ? 1 ALA B H3 20 ATOM 27660 H HA . ALA B 1 1 ? 30.257 -12.998 1.836 1.00 0.00 ? 1 ALA B HA 20 ATOM 27661 H HB1 . ALA B 1 1 ? 31.473 -14.538 0.708 1.00 0.00 ? 1 ALA B HB1 20 ATOM 27662 H HB2 . ALA B 1 1 ? 30.616 -14.266 -0.809 1.00 0.00 ? 1 ALA B HB2 20 ATOM 27663 H HB3 . ALA B 1 1 ? 31.873 -13.142 -0.292 1.00 0.00 ? 1 ALA B HB3 20 ATOM 27664 N N . LEU B 1 2 ? 29.873 -11.293 -0.975 1.00 0.00 ? 2 LEU B N 20 ATOM 27665 C CA . LEU B 1 2 ? 29.899 -9.950 -1.542 1.00 0.00 ? 2 LEU B CA 20 ATOM 27666 C C . LEU B 1 2 ? 28.711 -9.129 -1.050 1.00 0.00 ? 2 LEU B C 20 ATOM 27667 O O . LEU B 1 2 ? 27.714 -9.681 -0.585 1.00 0.00 ? 2 LEU B O 20 ATOM 27668 C CB . LEU B 1 2 ? 29.888 -10.018 -3.070 1.00 0.00 ? 2 LEU B CB 20 ATOM 27669 C CG . LEU B 1 2 ? 30.600 -11.233 -3.669 1.00 0.00 ? 2 LEU B CG 20 ATOM 27670 C CD1 . LEU B 1 2 ? 29.587 -12.271 -4.128 1.00 0.00 ? 2 LEU B CD1 20 ATOM 27671 C CD2 . LEU B 1 2 ? 31.494 -10.810 -4.825 1.00 0.00 ? 2 LEU B CD2 20 ATOM 27672 H H . LEU B 1 2 ? 29.693 -12.056 -1.563 1.00 0.00 ? 2 LEU B H 20 ATOM 27673 H HA . LEU B 1 2 ? 30.811 -9.471 -1.218 1.00 0.00 ? 2 LEU B HA 20 ATOM 27674 H HB2 . LEU B 1 2 ? 28.860 -10.029 -3.402 1.00 0.00 ? 2 LEU B HB2 20 ATOM 27675 H HB3 . LEU B 1 2 ? 30.364 -9.127 -3.454 1.00 0.00 ? 2 LEU B HB3 20 ATOM 27676 H HG . LEU B 1 2 ? 31.222 -11.686 -2.912 1.00 0.00 ? 2 LEU B HG 20 ATOM 27677 H HD11 . LEU B 1 2 ? 28.602 -11.987 -3.790 1.00 0.00 ? 2 LEU B HD11 20 ATOM 27678 H HD12 . LEU B 1 2 ? 29.595 -12.329 -5.206 1.00 0.00 ? 2 LEU B HD12 20 ATOM 27679 H HD13 . LEU B 1 2 ? 29.846 -13.234 -3.713 1.00 0.00 ? 2 LEU B HD13 20 ATOM 27680 H HD21 . LEU B 1 2 ? 31.375 -9.752 -5.003 1.00 0.00 ? 2 LEU B HD21 20 ATOM 27681 H HD22 . LEU B 1 2 ? 32.524 -11.020 -4.579 1.00 0.00 ? 2 LEU B HD22 20 ATOM 27682 H HD23 . LEU B 1 2 ? 31.217 -11.358 -5.713 1.00 0.00 ? 2 LEU B HD23 20 ATOM 27683 N N . LYS B 1 3 ? 28.825 -7.809 -1.156 1.00 0.00 ? 3 LYS B N 20 ATOM 27684 C CA . LYS B 1 3 ? 27.760 -6.914 -0.721 1.00 0.00 ? 3 LYS B CA 20 ATOM 27685 C C . LYS B 1 3 ? 26.991 -6.357 -1.916 1.00 0.00 ? 3 LYS B C 20 ATOM 27686 O O . LYS B 1 3 ? 26.387 -5.289 -1.834 1.00 0.00 ? 3 LYS B O 20 ATOM 27687 C CB . LYS B 1 3 ? 28.337 -5.765 0.108 1.00 0.00 ? 3 LYS B CB 20 ATOM 27688 C CG . LYS B 1 3 ? 28.313 -6.025 1.605 1.00 0.00 ? 3 LYS B CG 20 ATOM 27689 C CD . LYS B 1 3 ? 26.896 -6.243 2.111 1.00 0.00 ? 3 LYS B CD 20 ATOM 27690 C CE . LYS B 1 3 ? 26.807 -7.468 3.006 1.00 0.00 ? 3 LYS B CE 20 ATOM 27691 N NZ . LYS B 1 3 ? 26.529 -7.100 4.422 1.00 0.00 ? 3 LYS B NZ 20 ATOM 27692 H H . LYS B 1 3 ? 29.644 -7.428 -1.535 1.00 0.00 ? 3 LYS B H 20 ATOM 27693 H HA . LYS B 1 3 ? 27.079 -7.483 -0.105 1.00 0.00 ? 3 LYS B HA 20 ATOM 27694 H HB2 . LYS B 1 3 ? 29.361 -5.601 -0.191 1.00 0.00 ? 3 LYS B HB2 20 ATOM 27695 H HB3 . LYS B 1 3 ? 27.764 -4.871 -0.090 1.00 0.00 ? 3 LYS B HB3 20 ATOM 27696 H HG2 . LYS B 1 3 ? 28.899 -6.906 1.817 1.00 0.00 ? 3 LYS B HG2 20 ATOM 27697 H HG3 . LYS B 1 3 ? 28.741 -5.174 2.115 1.00 0.00 ? 3 LYS B HG3 20 ATOM 27698 H HD2 . LYS B 1 3 ? 26.587 -5.375 2.673 1.00 0.00 ? 3 LYS B HD2 20 ATOM 27699 H HD3 . LYS B 1 3 ? 26.240 -6.378 1.263 1.00 0.00 ? 3 LYS B HD3 20 ATOM 27700 H HE2 . LYS B 1 3 ? 26.013 -8.104 2.646 1.00 0.00 ? 3 LYS B HE2 20 ATOM 27701 H HE3 . LYS B 1 3 ? 27.744 -8.001 2.959 1.00 0.00 ? 3 LYS B HE3 20 ATOM 27702 H HZ1 . LYS B 1 3 ? 25.785 -6.375 4.465 1.00 0.00 ? 3 LYS B HZ1 20 ATOM 27703 H HZ2 . LYS B 1 3 ? 26.212 -7.937 4.953 1.00 0.00 ? 3 LYS B HZ2 20 ATOM 27704 H HZ3 . LYS B 1 3 ? 27.389 -6.725 4.870 1.00 0.00 ? 3 LYS B HZ3 20 ATOM 27705 N N . LYS B 1 4 ? 27.018 -7.089 -3.025 1.00 0.00 ? 4 LYS B N 20 ATOM 27706 C CA . LYS B 1 4 ? 26.323 -6.668 -4.235 1.00 0.00 ? 4 LYS B CA 20 ATOM 27707 C C . LYS B 1 4 ? 24.829 -6.960 -4.132 1.00 0.00 ? 4 LYS B C 20 ATOM 27708 O O . LYS B 1 4 ? 23.998 -6.146 -4.535 1.00 0.00 ? 4 LYS B O 20 ATOM 27709 C CB . LYS B 1 4 ? 26.910 -7.374 -5.458 1.00 0.00 ? 4 LYS B CB 20 ATOM 27710 C CG . LYS B 1 4 ? 28.429 -7.423 -5.461 1.00 0.00 ? 4 LYS B CG 20 ATOM 27711 C CD . LYS B 1 4 ? 29.004 -6.839 -6.743 1.00 0.00 ? 4 LYS B CD 20 ATOM 27712 C CE . LYS B 1 4 ? 30.097 -5.825 -6.451 1.00 0.00 ? 4 LYS B CE 20 ATOM 27713 N NZ . LYS B 1 4 ? 30.985 -6.267 -5.341 1.00 0.00 ? 4 LYS B NZ 20 ATOM 27714 H H . LYS B 1 4 ? 27.516 -7.933 -3.029 1.00 0.00 ? 4 LYS B H 20 ATOM 27715 H HA . LYS B 1 4 ? 26.462 -5.603 -4.343 1.00 0.00 ? 4 LYS B HA 20 ATOM 27716 H HB2 . LYS B 1 4 ? 26.538 -8.388 -5.488 1.00 0.00 ? 4 LYS B HB2 20 ATOM 27717 H HB3 . LYS B 1 4 ? 26.586 -6.855 -6.349 1.00 0.00 ? 4 LYS B HB3 20 ATOM 27718 H HG2 . LYS B 1 4 ? 28.799 -6.853 -4.623 1.00 0.00 ? 4 LYS B HG2 20 ATOM 27719 H HG3 . LYS B 1 4 ? 28.747 -8.451 -5.371 1.00 0.00 ? 4 LYS B HG3 20 ATOM 27720 H HD2 . LYS B 1 4 ? 29.420 -7.640 -7.337 1.00 0.00 ? 4 LYS B HD2 20 ATOM 27721 H HD3 . LYS B 1 4 ? 28.212 -6.354 -7.294 1.00 0.00 ? 4 LYS B HD3 20 ATOM 27722 H HE2 . LYS B 1 4 ? 30.692 -5.689 -7.343 1.00 0.00 ? 4 LYS B HE2 20 ATOM 27723 H HE3 . LYS B 1 4 ? 29.637 -4.886 -6.181 1.00 0.00 ? 4 LYS B HE3 20 ATOM 27724 H HZ1 . LYS B 1 4 ? 31.033 -7.305 -5.313 1.00 0.00 ? 4 LYS B HZ1 20 ATOM 27725 H HZ2 . LYS B 1 4 ? 31.944 -5.891 -5.479 1.00 0.00 ? 4 LYS B HZ2 20 ATOM 27726 H HZ3 . LYS B 1 4 ? 30.616 -5.924 -4.430 1.00 0.00 ? 4 LYS B HZ3 20 ATOM 27727 N N . HIS B 1 5 ? 24.496 -8.126 -3.588 1.00 0.00 ? 5 HIS B N 20 ATOM 27728 C CA . HIS B 1 5 ? 23.103 -8.524 -3.429 1.00 0.00 ? 5 HIS B CA 20 ATOM 27729 C C . HIS B 1 5 ? 22.302 -7.428 -2.735 1.00 0.00 ? 5 HIS B C 20 ATOM 27730 O O . HIS B 1 5 ? 21.085 -7.338 -2.898 1.00 0.00 ? 5 HIS B O 20 ATOM 27731 C CB . HIS B 1 5 ? 23.009 -9.826 -2.632 1.00 0.00 ? 5 HIS B CB 20 ATOM 27732 C CG . HIS B 1 5 ? 23.735 -9.779 -1.322 1.00 0.00 ? 5 HIS B CG 20 ATOM 27733 N ND1 . HIS B 1 5 ? 23.089 -9.761 -0.104 1.00 0.00 ? 5 HIS B ND1 20 ATOM 27734 C CD2 . HIS B 1 5 ? 25.060 -9.751 -1.045 1.00 0.00 ? 5 HIS B CD2 20 ATOM 27735 C CE1 . HIS B 1 5 ? 23.985 -9.721 0.867 1.00 0.00 ? 5 HIS B CE1 20 ATOM 27736 N NE2 . HIS B 1 5 ? 25.187 -9.716 0.323 1.00 0.00 ? 5 HIS B NE2 20 ATOM 27737 H H . HIS B 1 5 ? 25.205 -8.732 -3.284 1.00 0.00 ? 5 HIS B H 20 ATOM 27738 H HA . HIS B 1 5 ? 22.691 -8.686 -4.414 1.00 0.00 ? 5 HIS B HA 20 ATOM 27739 H HB2 . HIS B 1 5 ? 21.971 -10.040 -2.427 1.00 0.00 ? 5 HIS B HB2 20 ATOM 27740 H HB3 . HIS B 1 5 ? 23.430 -10.630 -3.218 1.00 0.00 ? 5 HIS B HB3 20 ATOM 27741 H HD1 . HIS B 1 5 ? 22.118 -9.773 0.030 1.00 0.00 ? 5 HIS B HD1 20 ATOM 27742 H HD2 . HIS B 1 5 ? 25.867 -9.757 -1.764 1.00 0.00 ? 5 HIS B HD2 20 ATOM 27743 H HE1 . HIS B 1 5 ? 23.770 -9.699 1.925 1.00 0.00 ? 5 HIS B HE1 20 ATOM 27744 H HE2 . HIS B 1 5 ? 26.033 -9.689 0.816 1.00 0.00 ? 5 HIS B HE2 20 ATOM 27745 N N . HIS B 1 6 ? 22.991 -6.596 -1.959 1.00 0.00 ? 6 HIS B N 20 ATOM 27746 C CA . HIS B 1 6 ? 22.343 -5.507 -1.240 1.00 0.00 ? 6 HIS B CA 20 ATOM 27747 C C . HIS B 1 6 ? 21.664 -4.545 -2.210 1.00 0.00 ? 6 HIS B C 20 ATOM 27748 O O . HIS B 1 6 ? 20.488 -4.217 -2.051 1.00 0.00 ? 6 HIS B O 20 ATOM 27749 C CB . HIS B 1 6 ? 23.362 -4.752 -0.385 1.00 0.00 ? 6 HIS B CB 20 ATOM 27750 C CG . HIS B 1 6 ? 23.506 -5.304 1.000 1.00 0.00 ? 6 HIS B CG 20 ATOM 27751 N ND1 . HIS B 1 6 ? 23.849 -6.615 1.255 1.00 0.00 ? 6 HIS B ND1 20 ATOM 27752 C CD2 . HIS B 1 6 ? 23.352 -4.715 2.209 1.00 0.00 ? 6 HIS B CD2 20 ATOM 27753 C CE1 . HIS B 1 6 ? 23.898 -6.809 2.561 1.00 0.00 ? 6 HIS B CE1 20 ATOM 27754 N NE2 . HIS B 1 6 ? 23.602 -5.672 3.161 1.00 0.00 ? 6 HIS B NE2 20 ATOM 27755 H H . HIS B 1 6 ? 23.959 -6.719 -1.868 1.00 0.00 ? 6 HIS B H 20 ATOM 27756 H HA . HIS B 1 6 ? 21.591 -5.937 -0.596 1.00 0.00 ? 6 HIS B HA 20 ATOM 27757 H HB2 . HIS B 1 6 ? 24.329 -4.800 -0.863 1.00 0.00 ? 6 HIS B HB2 20 ATOM 27758 H HB3 . HIS B 1 6 ? 23.057 -3.719 -0.302 1.00 0.00 ? 6 HIS B HB3 20 ATOM 27759 H HD1 . HIS B 1 6 ? 24.028 -7.302 0.579 1.00 0.00 ? 6 HIS B HD1 20 ATOM 27760 H HD2 . HIS B 1 6 ? 23.083 -3.683 2.391 1.00 0.00 ? 6 HIS B HD2 20 ATOM 27761 H HE1 . HIS B 1 6 ? 24.140 -7.739 3.053 1.00 0.00 ? 6 HIS B HE1 20 ATOM 27762 H HE2 . HIS B 1 6 ? 23.566 -5.535 4.131 1.00 0.00 ? 6 HIS B HE2 20 ATOM 27763 N N . GLU B 1 7 ? 22.410 -4.098 -3.214 1.00 0.00 ? 7 GLU B N 20 ATOM 27764 C CA . GLU B 1 7 ? 21.874 -3.176 -4.209 1.00 0.00 ? 7 GLU B CA 20 ATOM 27765 C C . GLU B 1 7 ? 20.620 -3.751 -4.858 1.00 0.00 ? 7 GLU B C 20 ATOM 27766 O O . GLU B 1 7 ? 19.766 -3.010 -5.345 1.00 0.00 ? 7 GLU B O 20 ATOM 27767 C CB . GLU B 1 7 ? 22.926 -2.874 -5.277 1.00 0.00 ? 7 GLU B CB 20 ATOM 27768 C CG . GLU B 1 7 ? 22.755 -1.513 -5.932 1.00 0.00 ? 7 GLU B CG 20 ATOM 27769 C CD . GLU B 1 7 ? 23.520 -1.393 -7.236 1.00 0.00 ? 7 GLU B CD 20 ATOM 27770 O OE1 . GLU B 1 7 ? 24.747 -1.164 -7.186 1.00 0.00 ? 7 GLU B OE1 20 ATOM 27771 O OE2 . GLU B 1 7 ? 22.892 -1.529 -8.307 1.00 0.00 ? 7 GLU B OE2 20 ATOM 27772 H H . GLU B 1 7 ? 23.340 -4.396 -3.290 1.00 0.00 ? 7 GLU B H 20 ATOM 27773 H HA . GLU B 1 7 ? 21.613 -2.259 -3.703 1.00 0.00 ? 7 GLU B HA 20 ATOM 27774 H HB2 . GLU B 1 7 ? 23.905 -2.911 -4.823 1.00 0.00 ? 7 GLU B HB2 20 ATOM 27775 H HB3 . GLU B 1 7 ? 22.867 -3.630 -6.047 1.00 0.00 ? 7 GLU B HB3 20 ATOM 27776 H HG2 . GLU B 1 7 ? 21.706 -1.354 -6.133 1.00 0.00 ? 7 GLU B HG2 20 ATOM 27777 H HG3 . GLU B 1 7 ? 23.111 -0.753 -5.252 1.00 0.00 ? 7 GLU B HG3 20 ATOM 27778 N N . ASN B 1 8 ? 20.513 -5.075 -4.856 1.00 0.00 ? 8 ASN B N 20 ATOM 27779 C CA . ASN B 1 8 ? 19.358 -5.746 -5.439 1.00 0.00 ? 8 ASN B CA 20 ATOM 27780 C C . ASN B 1 8 ? 18.134 -5.553 -4.555 1.00 0.00 ? 8 ASN B C 20 ATOM 27781 O O . ASN B 1 8 ? 17.120 -5.009 -4.991 1.00 0.00 ? 8 ASN B O 20 ATOM 27782 C CB . ASN B 1 8 ? 19.642 -7.237 -5.626 1.00 0.00 ? 8 ASN B CB 20 ATOM 27783 C CG . ASN B 1 8 ? 20.963 -7.490 -6.329 1.00 0.00 ? 8 ASN B CG 20 ATOM 27784 O OD1 . ASN B 1 8 ? 21.732 -6.564 -6.580 1.00 0.00 ? 8 ASN B OD1 20 ATOM 27785 N ND2 . ASN B 1 8 ? 21.231 -8.751 -6.649 1.00 0.00 ? 8 ASN B ND2 20 ATOM 27786 H H . ASN B 1 8 ? 21.223 -5.612 -4.448 1.00 0.00 ? 8 ASN B H 20 ATOM 27787 H HA . ASN B 1 8 ? 19.164 -5.298 -6.402 1.00 0.00 ? 8 ASN B HA 20 ATOM 27788 H HB2 . ASN B 1 8 ? 19.675 -7.716 -4.659 1.00 0.00 ? 8 ASN B HB2 20 ATOM 27789 H HB3 . ASN B 1 8 ? 18.852 -7.677 -6.215 1.00 0.00 ? 8 ASN B HB3 20 ATOM 27790 H HD21 . ASN B 1 8 ? 20.571 -9.438 -6.417 1.00 0.00 ? 8 ASN B HD21 20 ATOM 27791 H HD22 . ASN B 1 8 ? 22.077 -8.943 -7.103 1.00 0.00 ? 8 ASN B HD22 20 ATOM 27792 N N . GLU B 1 9 ? 18.241 -5.987 -3.303 1.00 0.00 ? 9 GLU B N 20 ATOM 27793 C CA . GLU B 1 9 ? 17.145 -5.841 -2.355 1.00 0.00 ? 9 GLU B CA 20 ATOM 27794 C C . GLU B 1 9 ? 16.747 -4.373 -2.227 1.00 0.00 ? 9 GLU B C 20 ATOM 27795 O O . GLU B 1 9 ? 15.636 -4.056 -1.805 1.00 0.00 ? 9 GLU B O 20 ATOM 27796 C CB . GLU B 1 9 ? 17.546 -6.395 -0.987 1.00 0.00 ? 9 GLU B CB 20 ATOM 27797 C CG . GLU B 1 9 ? 16.922 -7.745 -0.669 1.00 0.00 ? 9 GLU B CG 20 ATOM 27798 C CD . GLU B 1 9 ? 15.428 -7.771 -0.920 1.00 0.00 ? 9 GLU B CD 20 ATOM 27799 O OE1 . GLU B 1 9 ? 15.023 -8.048 -2.069 1.00 0.00 ? 9 GLU B OE1 20 ATOM 27800 O OE2 . GLU B 1 9 ? 14.661 -7.517 0.032 1.00 0.00 ? 9 GLU B OE2 20 ATOM 27801 H H . GLU B 1 9 ? 19.079 -6.400 -3.008 1.00 0.00 ? 9 GLU B H 20 ATOM 27802 H HA . GLU B 1 9 ? 16.302 -6.400 -2.731 1.00 0.00 ? 9 GLU B HA 20 ATOM 27803 H HB2 . GLU B 1 9 ? 18.620 -6.502 -0.956 1.00 0.00 ? 9 GLU B HB2 20 ATOM 27804 H HB3 . GLU B 1 9 ? 17.241 -5.694 -0.225 1.00 0.00 ? 9 GLU B HB3 20 ATOM 27805 H HG2 . GLU B 1 9 ? 17.389 -8.497 -1.287 1.00 0.00 ? 9 GLU B HG2 20 ATOM 27806 H HG3 . GLU B 1 9 ? 17.102 -7.973 0.372 1.00 0.00 ? 9 GLU B HG3 20 ATOM 27807 N N . ILE B 1 10 ? 17.665 -3.480 -2.597 1.00 0.00 ? 10 ILE B N 20 ATOM 27808 C CA . ILE B 1 10 ? 17.415 -2.050 -2.527 1.00 0.00 ? 10 ILE B CA 20 ATOM 27809 C C . ILE B 1 10 ? 16.439 -1.621 -3.630 1.00 0.00 ? 10 ILE B C 20 ATOM 27810 O O . ILE B 1 10 ? 15.403 -1.018 -3.356 1.00 0.00 ? 10 ILE B O 20 ATOM 27811 C CB . ILE B 1 10 ? 18.766 -1.260 -2.593 1.00 0.00 ? 10 ILE B CB 20 ATOM 27812 C CG1 . ILE B 1 10 ? 18.940 -0.408 -1.335 1.00 0.00 ? 10 ILE B CG1 20 ATOM 27813 C CG2 . ILE B 1 10 ? 18.909 -0.390 -3.843 1.00 0.00 ? 10 ILE B CG2 20 ATOM 27814 C CD1 . ILE B 1 10 ? 20.243 -0.671 -0.611 1.00 0.00 ? 10 ILE B CD1 20 ATOM 27815 H H . ILE B 1 10 ? 18.533 -3.792 -2.925 1.00 0.00 ? 10 ILE B H 20 ATOM 27816 H HA . ILE B 1 10 ? 16.954 -1.849 -1.570 1.00 0.00 ? 10 ILE B HA 20 ATOM 27817 H HB . ILE B 1 10 ? 19.562 -1.988 -2.617 1.00 0.00 ? 10 ILE B HB 20 ATOM 27818 H HG12 . ILE B 1 10 ? 18.916 0.636 -1.608 1.00 0.00 ? 10 ILE B HG12 20 ATOM 27819 H HG13 . ILE B 1 10 ? 18.131 -0.616 -0.650 1.00 0.00 ? 10 ILE B HG13 20 ATOM 27820 H HG21 . ILE B 1 10 ? 18.016 0.205 -3.971 1.00 0.00 ? 10 ILE B HG21 20 ATOM 27821 H HG22 . ILE B 1 10 ? 19.763 0.262 -3.733 1.00 0.00 ? 10 ILE B HG22 20 ATOM 27822 H HG23 . ILE B 1 10 ? 19.048 -1.022 -4.708 1.00 0.00 ? 10 ILE B HG23 20 ATOM 27823 H HD11 . ILE B 1 10 ? 20.777 -1.466 -1.112 1.00 0.00 ? 10 ILE B HD11 20 ATOM 27824 H HD12 . ILE B 1 10 ? 20.844 0.226 -0.617 1.00 0.00 ? 10 ILE B HD12 20 ATOM 27825 H HD13 . ILE B 1 10 ? 20.038 -0.961 0.408 1.00 0.00 ? 10 ILE B HD13 20 ATOM 27826 N N . SER B 1 11 ? 16.781 -1.943 -4.874 1.00 0.00 ? 11 SER B N 20 ATOM 27827 C CA . SER B 1 11 ? 15.936 -1.593 -6.009 1.00 0.00 ? 11 SER B CA 20 ATOM 27828 C C . SER B 1 11 ? 14.565 -2.247 -5.883 1.00 0.00 ? 11 SER B C 20 ATOM 27829 O O . SER B 1 11 ? 13.574 -1.747 -6.418 1.00 0.00 ? 11 SER B O 20 ATOM 27830 C CB . SER B 1 11 ? 16.602 -2.019 -7.318 1.00 0.00 ? 11 SER B CB 20 ATOM 27831 O OG . SER B 1 11 ? 17.204 -0.914 -7.968 1.00 0.00 ? 11 SER B OG 20 ATOM 27832 H H . SER B 1 11 ? 17.619 -2.429 -5.031 1.00 0.00 ? 11 SER B H 20 ATOM 27833 H HA . SER B 1 11 ? 15.811 -0.521 -6.010 1.00 0.00 ? 11 SER B HA 20 ATOM 27834 H HB2 . SER B 1 11 ? 17.362 -2.757 -7.109 1.00 0.00 ? 11 SER B HB2 20 ATOM 27835 H HB3 . SER B 1 11 ? 15.857 -2.446 -7.975 1.00 0.00 ? 11 SER B HB3 20 ATOM 27836 H HG . SER B 1 11 ? 16.788 -0.779 -8.823 1.00 0.00 ? 11 SER B HG 20 ATOM 27837 N N . HIS B 1 12 ? 14.516 -3.368 -5.171 1.00 0.00 ? 12 HIS B N 20 ATOM 27838 C CA . HIS B 1 12 ? 13.267 -4.090 -4.974 1.00 0.00 ? 12 HIS B CA 20 ATOM 27839 C C . HIS B 1 12 ? 12.364 -3.332 -3.996 1.00 0.00 ? 12 HIS B C 20 ATOM 27840 O O . HIS B 1 12 ? 11.186 -3.111 -4.275 1.00 0.00 ? 12 HIS B O 20 ATOM 27841 C CB . HIS B 1 12 ? 13.573 -5.533 -4.505 1.00 0.00 ? 12 HIS B CB 20 ATOM 27842 C CG . HIS B 1 12 ? 12.729 -6.047 -3.373 1.00 0.00 ? 12 HIS B CG 20 ATOM 27843 N ND1 . HIS B 1 12 ? 11.528 -6.700 -3.559 1.00 0.00 ? 12 HIS B ND1 20 ATOM 27844 C CD2 . HIS B 1 12 ? 12.925 -5.997 -2.035 1.00 0.00 ? 12 HIS B CD2 20 ATOM 27845 C CE1 . HIS B 1 12 ? 11.023 -7.030 -2.384 1.00 0.00 ? 12 HIS B CE1 20 ATOM 27846 N NE2 . HIS B 1 12 ? 11.852 -6.615 -1.444 1.00 0.00 ? 12 HIS B NE2 20 ATOM 27847 H H . HIS B 1 12 ? 15.337 -3.717 -4.766 1.00 0.00 ? 12 HIS B H 20 ATOM 27848 H HA . HIS B 1 12 ? 12.767 -4.133 -5.930 1.00 0.00 ? 12 HIS B HA 20 ATOM 27849 H HB2 . HIS B 1 12 ? 13.433 -6.202 -5.339 1.00 0.00 ? 12 HIS B HB2 20 ATOM 27850 H HB3 . HIS B 1 12 ? 14.607 -5.580 -4.192 1.00 0.00 ? 12 HIS B HB3 20 ATOM 27851 H HD1 . HIS B 1 12 ? 11.110 -6.893 -4.424 1.00 0.00 ? 12 HIS B HD1 20 ATOM 27852 H HD2 . HIS B 1 12 ? 13.771 -5.553 -1.530 1.00 0.00 ? 12 HIS B HD2 20 ATOM 27853 H HE1 . HIS B 1 12 ? 10.092 -7.551 -2.220 1.00 0.00 ? 12 HIS B HE1 20 ATOM 27854 H HE2 . HIS B 1 12 ? 11.719 -6.731 -0.480 1.00 0.00 ? 12 HIS B HE2 20 ATOM 27855 N N . HIS B 1 13 ? 12.922 -2.927 -2.858 1.00 0.00 ? 13 HIS B N 20 ATOM 27856 C CA . HIS B 1 13 ? 12.149 -2.190 -1.868 1.00 0.00 ? 13 HIS B CA 20 ATOM 27857 C C . HIS B 1 13 ? 11.613 -0.901 -2.469 1.00 0.00 ? 13 HIS B C 20 ATOM 27858 O O . HIS B 1 13 ? 10.558 -0.418 -2.074 1.00 0.00 ? 13 HIS B O 20 ATOM 27859 C CB . HIS B 1 13 ? 12.997 -1.855 -0.645 1.00 0.00 ? 13 HIS B CB 20 ATOM 27860 C CG . HIS B 1 13 ? 13.523 -3.045 0.083 1.00 0.00 ? 13 HIS B CG 20 ATOM 27861 N ND1 . HIS B 1 13 ? 12.873 -4.260 0.131 1.00 0.00 ? 13 HIS B ND1 20 ATOM 27862 C CD2 . HIS B 1 13 ? 14.650 -3.193 0.806 1.00 0.00 ? 13 HIS B CD2 20 ATOM 27863 C CE1 . HIS B 1 13 ? 13.583 -5.106 0.857 1.00 0.00 ? 13 HIS B CE1 20 ATOM 27864 N NE2 . HIS B 1 13 ? 14.667 -4.481 1.277 1.00 0.00 ? 13 HIS B NE2 20 ATOM 27865 H H . HIS B 1 13 ? 13.867 -3.121 -2.685 1.00 0.00 ? 13 HIS B H 20 ATOM 27866 H HA . HIS B 1 13 ? 11.318 -2.808 -1.564 1.00 0.00 ? 13 HIS B HA 20 ATOM 27867 H HB2 . HIS B 1 13 ? 13.844 -1.267 -0.958 1.00 0.00 ? 13 HIS B HB2 20 ATOM 27868 H HB3 . HIS B 1 13 ? 12.403 -1.278 0.047 1.00 0.00 ? 13 HIS B HB3 20 ATOM 27869 H HD1 . HIS B 1 13 ? 12.019 -4.470 -0.301 1.00 0.00 ? 13 HIS B HD1 20 ATOM 27870 H HD2 . HIS B 1 13 ? 15.396 -2.430 0.979 1.00 0.00 ? 13 HIS B HD2 20 ATOM 27871 H HE1 . HIS B 1 13 ? 13.321 -6.132 1.068 1.00 0.00 ? 13 HIS B HE1 20 ATOM 27872 H HE2 . HIS B 1 13 ? 15.370 -4.877 1.835 1.00 0.00 ? 13 HIS B HE2 20 ATOM 27873 N N . ALA B 1 14 ? 12.352 -0.347 -3.427 1.00 0.00 ? 14 ALA B N 20 ATOM 27874 C CA . ALA B 1 14 ? 11.948 0.891 -4.081 1.00 0.00 ? 14 ALA B CA 20 ATOM 27875 C C . ALA B 1 14 ? 10.667 0.678 -4.870 1.00 0.00 ? 14 ALA B C 20 ATOM 27876 O O . ALA B 1 14 ? 9.673 1.374 -4.658 1.00 0.00 ? 14 ALA B O 20 ATOM 27877 C CB . ALA B 1 14 ? 13.057 1.397 -4.991 1.00 0.00 ? 14 ALA B CB 20 ATOM 27878 H H . ALA B 1 14 ? 13.189 -0.780 -3.697 1.00 0.00 ? 14 ALA B H 20 ATOM 27879 H HA . ALA B 1 14 ? 11.770 1.632 -3.315 1.00 0.00 ? 14 ALA B HA 20 ATOM 27880 H HB1 . ALA B 1 14 ? 13.988 0.916 -4.727 1.00 0.00 ? 14 ALA B HB1 20 ATOM 27881 H HB2 . ALA B 1 14 ? 12.813 1.170 -6.018 1.00 0.00 ? 14 ALA B HB2 20 ATOM 27882 H HB3 . ALA B 1 14 ? 13.159 2.466 -4.873 1.00 0.00 ? 14 ALA B HB3 20 ATOM 27883 N N . LYS B 1 15 ? 10.686 -0.299 -5.768 1.00 0.00 ? 15 LYS B N 20 ATOM 27884 C CA . LYS B 1 15 ? 9.511 -0.610 -6.567 1.00 0.00 ? 15 LYS B CA 20 ATOM 27885 C C . LYS B 1 15 ? 8.374 -1.103 -5.676 1.00 0.00 ? 15 LYS B C 20 ATOM 27886 O O . LYS B 1 15 ? 7.218 -1.152 -6.100 1.00 0.00 ? 15 LYS B O 20 ATOM 27887 C CB . LYS B 1 15 ? 9.847 -1.666 -7.622 1.00 0.00 ? 15 LYS B CB 20 ATOM 27888 C CG . LYS B 1 15 ? 10.492 -1.092 -8.873 1.00 0.00 ? 15 LYS B CG 20 ATOM 27889 C CD . LYS B 1 15 ? 9.669 0.050 -9.451 1.00 0.00 ? 15 LYS B CD 20 ATOM 27890 C CE . LYS B 1 15 ? 10.116 0.399 -10.861 1.00 0.00 ? 15 LYS B CE 20 ATOM 27891 N NZ . LYS B 1 15 ? 11.319 1.276 -10.861 1.00 0.00 ? 15 LYS B NZ 20 ATOM 27892 H H . LYS B 1 15 ? 11.503 -0.833 -5.883 1.00 0.00 ? 15 LYS B H 20 ATOM 27893 H HA . LYS B 1 15 ? 9.197 0.297 -7.062 1.00 0.00 ? 15 LYS B HA 20 ATOM 27894 H HB2 . LYS B 1 15 ? 10.527 -2.386 -7.191 1.00 0.00 ? 15 LYS B HB2 20 ATOM 27895 H HB3 . LYS B 1 15 ? 8.937 -2.170 -7.912 1.00 0.00 ? 15 LYS B HB3 20 ATOM 27896 H HG2 . LYS B 1 15 ? 11.476 -0.722 -8.623 1.00 0.00 ? 15 LYS B HG2 20 ATOM 27897 H HG3 . LYS B 1 15 ? 10.577 -1.873 -9.614 1.00 0.00 ? 15 LYS B HG3 20 ATOM 27898 H HD2 . LYS B 1 15 ? 8.631 -0.244 -9.475 1.00 0.00 ? 15 LYS B HD2 20 ATOM 27899 H HD3 . LYS B 1 15 ? 9.785 0.918 -8.820 1.00 0.00 ? 15 LYS B HD3 20 ATOM 27900 H HE2 . LYS B 1 15 ? 10.347 -0.514 -11.389 1.00 0.00 ? 15 LYS B HE2 20 ATOM 27901 H HE3 . LYS B 1 15 ? 9.308 0.911 -11.364 1.00 0.00 ? 15 LYS B HE3 20 ATOM 27902 H HZ1 . LYS B 1 15 ? 11.558 1.555 -9.888 1.00 0.00 ? 15 LYS B HZ1 20 ATOM 27903 H HZ2 . LYS B 1 15 ? 12.129 0.772 -11.275 1.00 0.00 ? 15 LYS B HZ2 20 ATOM 27904 H HZ3 . LYS B 1 15 ? 11.137 2.133 -11.421 1.00 0.00 ? 15 LYS B HZ3 20 ATOM 27905 N N . GLU B 1 16 ? 8.705 -1.469 -4.436 1.00 0.00 ? 16 GLU B N 20 ATOM 27906 C CA . GLU B 1 16 ? 7.709 -1.954 -3.492 1.00 0.00 ? 16 GLU B CA 20 ATOM 27907 C C . GLU B 1 16 ? 7.014 -0.795 -2.789 1.00 0.00 ? 16 GLU B C 20 ATOM 27908 O O . GLU B 1 16 ? 5.828 -0.879 -2.469 1.00 0.00 ? 16 GLU B O 20 ATOM 27909 C CB . GLU B 1 16 ? 8.359 -2.878 -2.461 1.00 0.00 ? 16 GLU B CB 20 ATOM 27910 C CG . GLU B 1 16 ? 7.954 -4.336 -2.610 1.00 0.00 ? 16 GLU B CG 20 ATOM 27911 C CD . GLU B 1 16 ? 6.455 -4.514 -2.747 1.00 0.00 ? 16 GLU B CD 20 ATOM 27912 O OE1 . GLU B 1 16 ? 5.709 -3.869 -1.979 1.00 0.00 ? 16 GLU B OE1 20 ATOM 27913 O OE2 . GLU B 1 16 ? 6.026 -5.298 -3.619 1.00 0.00 ? 16 GLU B OE2 20 ATOM 27914 H H . GLU B 1 16 ? 9.638 -1.411 -4.149 1.00 0.00 ? 16 GLU B H 20 ATOM 27915 H HA . GLU B 1 16 ? 6.972 -2.513 -4.050 1.00 0.00 ? 16 GLU B HA 20 ATOM 27916 H HB2 . GLU B 1 16 ? 9.432 -2.812 -2.561 1.00 0.00 ? 16 GLU B HB2 20 ATOM 27917 H HB3 . GLU B 1 16 ? 8.077 -2.548 -1.472 1.00 0.00 ? 16 GLU B HB3 20 ATOM 27918 H HG2 . GLU B 1 16 ? 8.430 -4.740 -3.492 1.00 0.00 ? 16 GLU B HG2 20 ATOM 27919 H HG3 . GLU B 1 16 ? 8.291 -4.880 -1.741 1.00 0.00 ? 16 GLU B HG3 20 ATOM 27920 N N . ILE B 1 17 ? 7.747 0.291 -2.547 1.00 0.00 ? 17 ILE B N 20 ATOM 27921 C CA . ILE B 1 17 ? 7.170 1.452 -1.884 1.00 0.00 ? 17 ILE B CA 20 ATOM 27922 C C . ILE B 1 17 ? 6.291 2.240 -2.856 1.00 0.00 ? 17 ILE B C 20 ATOM 27923 O O . ILE B 1 17 ? 5.240 2.762 -2.479 1.00 0.00 ? 17 ILE B O 20 ATOM 27924 C CB . ILE B 1 17 ? 8.270 2.362 -1.269 1.00 0.00 ? 17 ILE B CB 20 ATOM 27925 C CG1 . ILE B 1 17 ? 8.867 3.323 -2.308 1.00 0.00 ? 17 ILE B CG1 20 ATOM 27926 C CG2 . ILE B 1 17 ? 9.370 1.510 -0.661 1.00 0.00 ? 17 ILE B CG2 20 ATOM 27927 C CD1 . ILE B 1 17 ? 8.128 4.639 -2.408 1.00 0.00 ? 17 ILE B CD1 20 ATOM 27928 H H . ILE B 1 17 ? 8.693 0.312 -2.821 1.00 0.00 ? 17 ILE B H 20 ATOM 27929 H HA . ILE B 1 17 ? 6.545 1.091 -1.079 1.00 0.00 ? 17 ILE B HA 20 ATOM 27930 H HB . ILE B 1 17 ? 7.820 2.935 -0.472 1.00 0.00 ? 17 ILE B HB 20 ATOM 27931 H HG12 . ILE B 1 17 ? 9.890 3.538 -2.043 1.00 0.00 ? 17 ILE B HG12 20 ATOM 27932 H HG13 . ILE B 1 17 ? 8.843 2.853 -3.280 1.00 0.00 ? 17 ILE B HG13 20 ATOM 27933 H HG21 . ILE B 1 17 ? 9.051 0.479 -0.627 1.00 0.00 ? 17 ILE B HG21 20 ATOM 27934 H HG22 . ILE B 1 17 ? 10.263 1.591 -1.264 1.00 0.00 ? 17 ILE B HG22 20 ATOM 27935 H HG23 . ILE B 1 17 ? 9.580 1.855 0.339 1.00 0.00 ? 17 ILE B HG23 20 ATOM 27936 H HD11 . ILE B 1 17 ? 7.548 4.797 -1.510 1.00 0.00 ? 17 ILE B HD11 20 ATOM 27937 H HD12 . ILE B 1 17 ? 8.839 5.444 -2.523 1.00 0.00 ? 17 ILE B HD12 20 ATOM 27938 H HD13 . ILE B 1 17 ? 7.468 4.618 -3.264 1.00 0.00 ? 17 ILE B HD13 20 ATOM 27939 N N . GLU B 1 18 ? 6.724 2.306 -4.112 1.00 0.00 ? 18 GLU B N 20 ATOM 27940 C CA . GLU B 1 18 ? 5.975 3.012 -5.142 1.00 0.00 ? 18 GLU B CA 20 ATOM 27941 C C . GLU B 1 18 ? 4.794 2.169 -5.607 1.00 0.00 ? 18 GLU B C 20 ATOM 27942 O O . GLU B 1 18 ? 3.699 2.686 -5.833 1.00 0.00 ? 18 GLU B O 20 ATOM 27943 C CB . GLU B 1 18 ? 6.883 3.345 -6.328 1.00 0.00 ? 18 GLU B CB 20 ATOM 27944 C CG . GLU B 1 18 ? 7.629 4.659 -6.174 1.00 0.00 ? 18 GLU B CG 20 ATOM 27945 C CD . GLU B 1 18 ? 8.439 5.018 -7.404 1.00 0.00 ? 18 GLU B CD 20 ATOM 27946 O OE1 . GLU B 1 18 ? 9.617 4.608 -7.478 1.00 0.00 ? 18 GLU B OE1 20 ATOM 27947 O OE2 . GLU B 1 18 ? 7.897 5.707 -8.293 1.00 0.00 ? 18 GLU B OE2 20 ATOM 27948 H H . GLU B 1 18 ? 7.564 1.858 -4.353 1.00 0.00 ? 18 GLU B H 20 ATOM 27949 H HA . GLU B 1 18 ? 5.604 3.930 -4.713 1.00 0.00 ? 18 GLU B HA 20 ATOM 27950 H HB2 . GLU B 1 18 ? 7.610 2.555 -6.443 1.00 0.00 ? 18 GLU B HB2 20 ATOM 27951 H HB3 . GLU B 1 18 ? 6.280 3.399 -7.223 1.00 0.00 ? 18 GLU B HB3 20 ATOM 27952 H HG2 . GLU B 1 18 ? 6.911 5.447 -5.994 1.00 0.00 ? 18 GLU B HG2 20 ATOM 27953 H HG3 . GLU B 1 18 ? 8.297 4.583 -5.329 1.00 0.00 ? 18 GLU B HG3 20 ATOM 27954 N N . ARG B 1 19 ? 5.024 0.867 -5.738 1.00 0.00 ? 19 ARG B N 20 ATOM 27955 C CA . ARG B 1 19 ? 3.977 -0.051 -6.165 1.00 0.00 ? 19 ARG B CA 20 ATOM 27956 C C . ARG B 1 19 ? 2.955 -0.241 -5.053 1.00 0.00 ? 19 ARG B C 20 ATOM 27957 O O . ARG B 1 19 ? 1.784 -0.523 -5.310 1.00 0.00 ? 19 ARG B O 20 ATOM 27958 C CB . ARG B 1 19 ? 4.578 -1.400 -6.563 1.00 0.00 ? 19 ARG B CB 20 ATOM 27959 C CG . ARG B 1 19 ? 3.546 -2.407 -7.046 1.00 0.00 ? 19 ARG B CG 20 ATOM 27960 C CD . ARG B 1 19 ? 3.019 -3.256 -5.900 1.00 0.00 ? 19 ARG B CD 20 ATOM 27961 N NE . ARG B 1 19 ? 2.774 -4.636 -6.310 1.00 0.00 ? 19 ARG B NE 20 ATOM 27962 C CZ . ARG B 1 19 ? 1.836 -4.989 -7.183 1.00 0.00 ? 19 ARG B CZ 20 ATOM 27963 N NH1 . ARG B 1 19 ? 1.060 -4.067 -7.735 1.00 0.00 ? 19 ARG B NH1 20 ATOM 27964 N NH2 . ARG B 1 19 ? 1.674 -6.265 -7.506 1.00 0.00 ? 19 ARG B NH2 20 ATOM 27965 H H . ARG B 1 19 ? 5.915 0.513 -5.535 1.00 0.00 ? 19 ARG B H 20 ATOM 27966 H HA . ARG B 1 19 ? 3.483 0.383 -7.022 1.00 0.00 ? 19 ARG B HA 20 ATOM 27967 H HB2 . ARG B 1 19 ? 5.294 -1.242 -7.356 1.00 0.00 ? 19 ARG B HB2 20 ATOM 27968 H HB3 . ARG B 1 19 ? 5.087 -1.820 -5.708 1.00 0.00 ? 19 ARG B HB3 20 ATOM 27969 H HG2 . ARG B 1 19 ? 2.722 -1.876 -7.496 1.00 0.00 ? 19 ARG B HG2 20 ATOM 27970 H HG3 . ARG B 1 19 ? 4.006 -3.054 -7.780 1.00 0.00 ? 19 ARG B HG3 20 ATOM 27971 H HD2 . ARG B 1 19 ? 3.744 -3.252 -5.102 1.00 0.00 ? 19 ARG B HD2 20 ATOM 27972 H HD3 . ARG B 1 19 ? 2.093 -2.825 -5.547 1.00 0.00 ? 19 ARG B HD3 20 ATOM 27973 H HE . ARG B 1 19 ? 3.336 -5.334 -5.914 1.00 0.00 ? 19 ARG B HE 20 ATOM 27974 H HH11 . ARG B 1 19 ? 1.179 -3.103 -7.495 1.00 0.00 ? 19 ARG B HH11 20 ATOM 27975 H HH12 . ARG B 1 19 ? 0.355 -4.334 -8.392 1.00 0.00 ? 19 ARG B HH12 20 ATOM 27976 H HH21 . ARG B 1 19 ? 2.257 -6.964 -7.091 1.00 0.00 ? 19 ARG B HH21 20 ATOM 27977 H HH22 . ARG B 1 19 ? 0.968 -6.529 -8.162 1.00 0.00 ? 19 ARG B HH22 20 ATOM 27978 N N . LEU B 1 20 ? 3.405 -0.071 -3.812 1.00 0.00 ? 20 LEU B N 20 ATOM 27979 C CA . LEU B 1 20 ? 2.528 -0.211 -2.662 1.00 0.00 ? 20 LEU B CA 20 ATOM 27980 C C . LEU B 1 20 ? 1.556 0.959 -2.598 1.00 0.00 ? 20 LEU B C 20 ATOM 27981 O O . LEU B 1 20 ? 0.366 0.778 -2.345 1.00 0.00 ? 20 LEU B O 20 ATOM 27982 C CB . LEU B 1 20 ? 3.349 -0.286 -1.373 1.00 0.00 ? 20 LEU B CB 20 ATOM 27983 C CG . LEU B 1 20 ? 3.772 -1.695 -0.956 1.00 0.00 ? 20 LEU B CG 20 ATOM 27984 C CD1 . LEU B 1 20 ? 4.955 -1.637 -0.002 1.00 0.00 ? 20 LEU B CD1 20 ATOM 27985 C CD2 . LEU B 1 20 ? 2.606 -2.434 -0.316 1.00 0.00 ? 20 LEU B CD2 20 ATOM 27986 H H . LEU B 1 20 ? 4.345 0.164 -3.670 1.00 0.00 ? 20 LEU B H 20 ATOM 27987 H HA . LEU B 1 20 ? 1.968 -1.127 -2.778 1.00 0.00 ? 20 LEU B HA 20 ATOM 27988 H HB2 . LEU B 1 20 ? 4.240 0.312 -1.504 1.00 0.00 ? 20 LEU B HB2 20 ATOM 27989 H HB3 . LEU B 1 20 ? 2.765 0.141 -0.572 1.00 0.00 ? 20 LEU B HB3 20 ATOM 27990 H HG . LEU B 1 20 ? 4.078 -2.247 -1.833 1.00 0.00 ? 20 LEU B HG 20 ATOM 27991 H HD11 . LEU B 1 20 ? 5.445 -0.679 -0.093 1.00 0.00 ? 20 LEU B HD11 20 ATOM 27992 H HD12 . LEU B 1 20 ? 4.607 -1.768 1.012 1.00 0.00 ? 20 LEU B HD12 20 ATOM 27993 H HD13 . LEU B 1 20 ? 5.654 -2.424 -0.246 1.00 0.00 ? 20 LEU B HD13 20 ATOM 27994 H HD21 . LEU B 1 20 ? 2.215 -1.848 0.503 1.00 0.00 ? 20 LEU B HD21 20 ATOM 27995 H HD22 . LEU B 1 20 ? 1.829 -2.585 -1.052 1.00 0.00 ? 20 LEU B HD22 20 ATOM 27996 H HD23 . LEU B 1 20 ? 2.943 -3.390 0.052 1.00 0.00 ? 20 LEU B HD23 20 ATOM 27997 N N . GLN B 1 21 ? 2.074 2.160 -2.840 1.00 0.00 ? 21 GLN B N 20 ATOM 27998 C CA . GLN B 1 21 ? 1.252 3.364 -2.819 1.00 0.00 ? 21 GLN B CA 20 ATOM 27999 C C . GLN B 1 21 ? 0.148 3.279 -3.869 1.00 0.00 ? 21 GLN B C 20 ATOM 28000 O O . GLN B 1 21 ? -1.013 3.577 -3.590 1.00 0.00 ? 21 GLN B O 20 ATOM 28001 C CB . GLN B 1 21 ? 2.116 4.602 -3.069 1.00 0.00 ? 21 GLN B CB 20 ATOM 28002 C CG . GLN B 1 21 ? 1.467 5.898 -2.611 1.00 0.00 ? 21 GLN B CG 20 ATOM 28003 C CD . GLN B 1 21 ? 1.594 7.007 -3.638 1.00 0.00 ? 21 GLN B CD 20 ATOM 28004 O OE1 . GLN B 1 21 ? 2.145 8.071 -3.355 1.00 0.00 ? 21 GLN B OE1 20 ATOM 28005 N NE2 . GLN B 1 21 ? 1.083 6.762 -4.839 1.00 0.00 ? 21 GLN B NE2 20 ATOM 28006 H H . GLN B 1 21 ? 3.032 2.238 -3.041 1.00 0.00 ? 21 GLN B H 20 ATOM 28007 H HA . GLN B 1 21 ? 0.799 3.441 -1.843 1.00 0.00 ? 21 GLN B HA 20 ATOM 28008 H HB2 . GLN B 1 21 ? 3.051 4.486 -2.542 1.00 0.00 ? 21 GLN B HB2 20 ATOM 28009 H HB3 . GLN B 1 21 ? 2.316 4.679 -4.128 1.00 0.00 ? 21 GLN B HB3 20 ATOM 28010 H HG2 . GLN B 1 21 ? 0.419 5.716 -2.429 1.00 0.00 ? 21 GLN B HG2 20 ATOM 28011 H HG3 . GLN B 1 21 ? 1.942 6.219 -1.696 1.00 0.00 ? 21 GLN B HG3 20 ATOM 28012 H HE21 . GLN B 1 21 ? 0.659 5.892 -4.993 1.00 0.00 ? 21 GLN B HE21 20 ATOM 28013 H HE22 . GLN B 1 21 ? 1.151 7.462 -5.522 1.00 0.00 ? 21 GLN B HE22 20 ATOM 28014 N N . LYS B 1 22 ? 0.517 2.867 -5.078 1.00 0.00 ? 22 LYS B N 20 ATOM 28015 C CA . LYS B 1 22 ? -0.446 2.741 -6.165 1.00 0.00 ? 22 LYS B CA 20 ATOM 28016 C C . LYS B 1 22 ? -1.507 1.699 -5.828 1.00 0.00 ? 22 LYS B C 20 ATOM 28017 O O . LYS B 1 22 ? -2.666 1.828 -6.222 1.00 0.00 ? 22 LYS B O 20 ATOM 28018 C CB . LYS B 1 22 ? 0.266 2.361 -7.464 1.00 0.00 ? 22 LYS B CB 20 ATOM 28019 C CG . LYS B 1 22 ? 0.466 3.531 -8.414 1.00 0.00 ? 22 LYS B CG 20 ATOM 28020 C CD . LYS B 1 22 ? -0.862 4.117 -8.862 1.00 0.00 ? 22 LYS B CD 20 ATOM 28021 C CE . LYS B 1 22 ? -1.209 5.373 -8.079 1.00 0.00 ? 22 LYS B CE 20 ATOM 28022 N NZ . LYS B 1 22 ? -1.862 6.401 -8.936 1.00 0.00 ? 22 LYS B NZ 20 ATOM 28023 H H . LYS B 1 22 ? 1.459 2.641 -5.242 1.00 0.00 ? 22 LYS B H 20 ATOM 28024 H HA . LYS B 1 22 ? -0.926 3.699 -6.295 1.00 0.00 ? 22 LYS B HA 20 ATOM 28025 H HB2 . LYS B 1 22 ? 1.236 1.950 -7.223 1.00 0.00 ? 22 LYS B HB2 20 ATOM 28026 H HB3 . LYS B 1 22 ? -0.317 1.608 -7.974 1.00 0.00 ? 22 LYS B HB3 20 ATOM 28027 H HG2 . LYS B 1 22 ? 1.035 4.298 -7.909 1.00 0.00 ? 22 LYS B HG2 20 ATOM 28028 H HG3 . LYS B 1 22 ? 1.011 3.188 -9.282 1.00 0.00 ? 22 LYS B HG3 20 ATOM 28029 H HD2 . LYS B 1 22 ? -0.800 4.366 -9.911 1.00 0.00 ? 22 LYS B HD2 20 ATOM 28030 H HD3 . LYS B 1 22 ? -1.639 3.382 -8.709 1.00 0.00 ? 22 LYS B HD3 20 ATOM 28031 H HE2 . LYS B 1 22 ? -1.881 5.107 -7.277 1.00 0.00 ? 22 LYS B HE2 20 ATOM 28032 H HE3 . LYS B 1 22 ? -0.300 5.786 -7.664 1.00 0.00 ? 22 LYS B HE3 20 ATOM 28033 H HZ1 . LYS B 1 22 ? -2.039 6.014 -9.885 1.00 0.00 ? 22 LYS B HZ1 20 ATOM 28034 H HZ2 . LYS B 1 22 ? -2.769 6.692 -8.518 1.00 0.00 ? 22 LYS B HZ2 20 ATOM 28035 H HZ3 . LYS B 1 22 ? -1.249 7.237 -9.022 1.00 0.00 ? 22 LYS B HZ3 20 ATOM 28036 N N . GLU B 1 23 ? -1.102 0.665 -5.098 1.00 0.00 ? 23 GLU B N 20 ATOM 28037 C CA . GLU B 1 23 ? -2.015 -0.401 -4.708 1.00 0.00 ? 23 GLU B CA 20 ATOM 28038 C C . GLU B 1 23 ? -3.058 0.105 -3.715 1.00 0.00 ? 23 GLU B C 20 ATOM 28039 O O . GLU B 1 23 ? -4.222 -0.298 -3.763 1.00 0.00 ? 23 GLU B O 20 ATOM 28040 C CB . GLU B 1 23 ? -1.239 -1.569 -4.097 1.00 0.00 ? 23 GLU B CB 20 ATOM 28041 C CG . GLU B 1 23 ? -0.877 -2.651 -5.101 1.00 0.00 ? 23 GLU B CG 20 ATOM 28042 C CD . GLU B 1 23 ? -0.161 -3.824 -4.461 1.00 0.00 ? 23 GLU B CD 20 ATOM 28043 O OE1 . GLU B 1 23 ? 0.713 -3.588 -3.600 1.00 0.00 ? 23 GLU B OE1 20 ATOM 28044 O OE2 . GLU B 1 23 ? -0.476 -4.978 -4.819 1.00 0.00 ? 23 GLU B OE2 20 ATOM 28045 H H . GLU B 1 23 ? -0.164 0.619 -4.815 1.00 0.00 ? 23 GLU B H 20 ATOM 28046 H HA . GLU B 1 23 ? -2.522 -0.746 -5.598 1.00 0.00 ? 23 GLU B HA 20 ATOM 28047 H HB2 . GLU B 1 23 ? -0.325 -1.189 -3.663 1.00 0.00 ? 23 GLU B HB2 20 ATOM 28048 H HB3 . GLU B 1 23 ? -1.837 -2.016 -3.318 1.00 0.00 ? 23 GLU B HB3 20 ATOM 28049 H HG2 . GLU B 1 23 ? -1.783 -3.011 -5.564 1.00 0.00 ? 23 GLU B HG2 20 ATOM 28050 H HG3 . GLU B 1 23 ? -0.232 -2.222 -5.855 1.00 0.00 ? 23 GLU B HG3 20 ATOM 28051 N N . ILE B 1 24 ? -2.639 0.992 -2.818 1.00 0.00 ? 24 ILE B N 20 ATOM 28052 C CA . ILE B 1 24 ? -3.549 1.545 -1.821 1.00 0.00 ? 24 ILE B CA 20 ATOM 28053 C C . ILE B 1 24 ? -4.638 2.377 -2.503 1.00 0.00 ? 24 ILE B C 20 ATOM 28054 O O . ILE B 1 24 ? -5.810 2.317 -2.131 1.00 0.00 ? 24 ILE B O 20 ATOM 28055 C CB . ILE B 1 24 ? -2.801 2.385 -0.734 1.00 0.00 ? 24 ILE B CB 20 ATOM 28056 C CG1 . ILE B 1 24 ? -2.730 3.879 -1.090 1.00 0.00 ? 24 ILE B CG1 20 ATOM 28057 C CG2 . ILE B 1 24 ? -1.397 1.842 -0.509 1.00 0.00 ? 24 ILE B CG2 20 ATOM 28058 C CD1 . ILE B 1 24 ? -3.972 4.645 -0.689 1.00 0.00 ? 24 ILE B CD1 20 ATOM 28059 H H . ILE B 1 24 ? -1.703 1.280 -2.830 1.00 0.00 ? 24 ILE B H 20 ATOM 28060 H HA . ILE B 1 24 ? -4.026 0.710 -1.322 1.00 0.00 ? 24 ILE B HA 20 ATOM 28061 H HB . ILE B 1 24 ? -3.342 2.275 0.193 1.00 0.00 ? 24 ILE B HB 20 ATOM 28062 H HG12 . ILE B 1 24 ? -1.887 4.324 -0.583 1.00 0.00 ? 24 ILE B HG12 20 ATOM 28063 H HG13 . ILE B 1 24 ? -2.602 3.985 -2.155 1.00 0.00 ? 24 ILE B HG13 20 ATOM 28064 H HG21 . ILE B 1 24 ? -1.396 0.771 -0.653 1.00 0.00 ? 24 ILE B HG21 20 ATOM 28065 H HG22 . ILE B 1 24 ? -0.718 2.300 -1.211 1.00 0.00 ? 24 ILE B HG22 20 ATOM 28066 H HG23 . ILE B 1 24 ? -1.080 2.070 0.496 1.00 0.00 ? 24 ILE B HG23 20 ATOM 28067 H HD11 . ILE B 1 24 ? -4.689 3.964 -0.251 1.00 0.00 ? 24 ILE B HD11 20 ATOM 28068 H HD12 . ILE B 1 24 ? -3.709 5.405 0.033 1.00 0.00 ? 24 ILE B HD12 20 ATOM 28069 H HD13 . ILE B 1 24 ? -4.403 5.113 -1.562 1.00 0.00 ? 24 ILE B HD13 20 ATOM 28070 N N . GLU B 1 25 ? -4.235 3.142 -3.514 1.00 0.00 ? 25 GLU B N 20 ATOM 28071 C CA . GLU B 1 25 ? -5.166 3.978 -4.260 1.00 0.00 ? 25 GLU B CA 20 ATOM 28072 C C . GLU B 1 25 ? -6.225 3.116 -4.937 1.00 0.00 ? 25 GLU B C 20 ATOM 28073 O O . GLU B 1 25 ? -7.406 3.460 -4.950 1.00 0.00 ? 25 GLU B O 20 ATOM 28074 C CB . GLU B 1 25 ? -4.419 4.808 -5.305 1.00 0.00 ? 25 GLU B CB 20 ATOM 28075 C CG . GLU B 1 25 ? -4.965 6.217 -5.466 1.00 0.00 ? 25 GLU B CG 20 ATOM 28076 C CD . GLU B 1 25 ? -3.947 7.281 -5.107 1.00 0.00 ? 25 GLU B CD 20 ATOM 28077 O OE1 . GLU B 1 25 ? -3.608 7.399 -3.910 1.00 0.00 ? 25 GLU B OE1 20 ATOM 28078 O OE2 . GLU B 1 25 ? -3.487 7.995 -6.022 1.00 0.00 ? 25 GLU B OE2 20 ATOM 28079 H H . GLU B 1 25 ? -3.286 3.140 -3.767 1.00 0.00 ? 25 GLU B H 20 ATOM 28080 H HA . GLU B 1 25 ? -5.652 4.642 -3.561 1.00 0.00 ? 25 GLU B HA 20 ATOM 28081 H HB2 . GLU B 1 25 ? -3.381 4.877 -5.018 1.00 0.00 ? 25 GLU B HB2 20 ATOM 28082 H HB3 . GLU B 1 25 ? -4.487 4.309 -6.260 1.00 0.00 ? 25 GLU B HB3 20 ATOM 28083 H HG2 . GLU B 1 25 ? -5.264 6.360 -6.493 1.00 0.00 ? 25 GLU B HG2 20 ATOM 28084 H HG3 . GLU B 1 25 ? -5.825 6.332 -4.822 1.00 0.00 ? 25 GLU B HG3 20 ATOM 28085 N N . ARG B 1 26 ? -5.792 1.986 -5.489 1.00 0.00 ? 26 ARG B N 20 ATOM 28086 C CA . ARG B 1 26 ? -6.704 1.068 -6.158 1.00 0.00 ? 26 ARG B CA 20 ATOM 28087 C C . ARG B 1 26 ? -7.790 0.610 -5.193 1.00 0.00 ? 26 ARG B C 20 ATOM 28088 O O . ARG B 1 26 ? -8.968 0.534 -5.551 1.00 0.00 ? 26 ARG B O 20 ATOM 28089 C CB . ARG B 1 26 ? -5.940 -0.142 -6.702 1.00 0.00 ? 26 ARG B CB 20 ATOM 28090 C CG . ARG B 1 26 ? -6.542 -0.719 -7.972 1.00 0.00 ? 26 ARG B CG 20 ATOM 28091 C CD . ARG B 1 26 ? -6.195 -2.191 -8.133 1.00 0.00 ? 26 ARG B CD 20 ATOM 28092 N NE . ARG B 1 26 ? -6.810 -3.015 -7.097 1.00 0.00 ? 26 ARG B NE 20 ATOM 28093 C CZ . ARG B 1 26 ? -6.758 -4.343 -7.085 1.00 0.00 ? 26 ARG B CZ 20 ATOM 28094 N NH1 . ARG B 1 26 ? -6.121 -4.992 -8.051 1.00 0.00 ? 26 ARG B NH1 20 ATOM 28095 N NH2 . ARG B 1 26 ? -7.342 -5.023 -6.107 1.00 0.00 ? 26 ARG B NH2 20 ATOM 28096 H H . ARG B 1 26 ? -4.839 1.763 -5.440 1.00 0.00 ? 26 ARG B H 20 ATOM 28097 H HA . ARG B 1 26 ? -7.165 1.595 -6.980 1.00 0.00 ? 26 ARG B HA 20 ATOM 28098 H HB2 . ARG B 1 26 ? -4.924 0.155 -6.912 1.00 0.00 ? 26 ARG B HB2 20 ATOM 28099 H HB3 . ARG B 1 26 ? -5.932 -0.915 -5.948 1.00 0.00 ? 26 ARG B HB3 20 ATOM 28100 H HG2 . ARG B 1 26 ? -7.616 -0.616 -7.929 1.00 0.00 ? 26 ARG B HG2 20 ATOM 28101 H HG3 . ARG B 1 26 ? -6.159 -0.173 -8.821 1.00 0.00 ? 26 ARG B HG3 20 ATOM 28102 H HD2 . ARG B 1 26 ? -6.542 -2.525 -9.098 1.00 0.00 ? 26 ARG B HD2 20 ATOM 28103 H HD3 . ARG B 1 26 ? -5.122 -2.301 -8.079 1.00 0.00 ? 26 ARG B HD3 20 ATOM 28104 H HE . ARG B 1 26 ? -7.285 -2.555 -6.373 1.00 0.00 ? 26 ARG B HE 20 ATOM 28105 H HH11 . ARG B 1 26 ? -5.679 -4.482 -8.789 1.00 0.00 ? 26 ARG B HH11 20 ATOM 28106 H HH12 . ARG B 1 26 ? -6.083 -5.991 -8.041 1.00 0.00 ? 26 ARG B HH12 20 ATOM 28107 H HH21 . ARG B 1 26 ? -7.822 -4.537 -5.378 1.00 0.00 ? 26 ARG B HH21 20 ATOM 28108 H HH22 . ARG B 1 26 ? -7.302 -6.022 -6.101 1.00 0.00 ? 26 ARG B HH22 20 ATOM 28109 N N . HIS B 1 27 ? -7.389 0.322 -3.958 1.00 0.00 ? 27 HIS B N 20 ATOM 28110 C CA . HIS B 1 27 ? -8.331 -0.111 -2.939 1.00 0.00 ? 27 HIS B CA 20 ATOM 28111 C C . HIS B 1 27 ? -9.281 1.027 -2.592 1.00 0.00 ? 27 HIS B C 20 ATOM 28112 O O . HIS B 1 27 ? -10.414 0.797 -2.173 1.00 0.00 ? 27 HIS B O 20 ATOM 28113 C CB . HIS B 1 27 ? -7.588 -0.579 -1.688 1.00 0.00 ? 27 HIS B CB 20 ATOM 28114 C CG . HIS B 1 27 ? -7.874 -2.002 -1.320 1.00 0.00 ? 27 HIS B CG 20 ATOM 28115 N ND1 . HIS B 1 27 ? -9.018 -2.391 -0.653 1.00 0.00 ? 27 HIS B ND1 20 ATOM 28116 C CD2 . HIS B 1 27 ? -7.161 -3.132 -1.533 1.00 0.00 ? 27 HIS B CD2 20 ATOM 28117 C CE1 . HIS B 1 27 ? -8.994 -3.699 -0.470 1.00 0.00 ? 27 HIS B CE1 20 ATOM 28118 N NE2 . HIS B 1 27 ? -7.879 -4.172 -0.995 1.00 0.00 ? 27 HIS B NE2 20 ATOM 28119 H H . HIS B 1 27 ? -6.440 0.416 -3.724 1.00 0.00 ? 27 HIS B H 20 ATOM 28120 H HA . HIS B 1 27 ? -8.902 -0.934 -3.341 1.00 0.00 ? 27 HIS B HA 20 ATOM 28121 H HB2 . HIS B 1 27 ? -6.524 -0.488 -1.853 1.00 0.00 ? 27 HIS B HB2 20 ATOM 28122 H HB3 . HIS B 1 27 ? -7.871 0.045 -0.853 1.00 0.00 ? 27 HIS B HB3 20 ATOM 28123 H HD1 . HIS B 1 27 ? -9.738 -1.797 -0.357 1.00 0.00 ? 27 HIS B HD1 20 ATOM 28124 H HD2 . HIS B 1 27 ? -6.205 -3.203 -2.032 1.00 0.00 ? 27 HIS B HD2 20 ATOM 28125 H HE1 . HIS B 1 27 ? -9.758 -4.282 0.023 1.00 0.00 ? 27 HIS B HE1 20 ATOM 28126 H HE2 . HIS B 1 27 ? -7.610 -5.114 -0.999 1.00 0.00 ? 27 HIS B HE2 20 ATOM 28127 N N . LYS B 1 28 ? -8.808 2.258 -2.777 1.00 0.00 ? 28 LYS B N 20 ATOM 28128 C CA . LYS B 1 28 ? -9.612 3.438 -2.493 1.00 0.00 ? 28 LYS B CA 20 ATOM 28129 C C . LYS B 1 28 ? -10.704 3.609 -3.541 1.00 0.00 ? 28 LYS B C 20 ATOM 28130 O O . LYS B 1 28 ? -11.792 4.102 -3.244 1.00 0.00 ? 28 LYS B O 20 ATOM 28131 C CB . LYS B 1 28 ? -8.727 4.686 -2.452 1.00 0.00 ? 28 LYS B CB 20 ATOM 28132 C CG . LYS B 1 28 ? -9.091 5.653 -1.337 1.00 0.00 ? 28 LYS B CG 20 ATOM 28133 C CD . LYS B 1 28 ? -9.365 7.047 -1.876 1.00 0.00 ? 28 LYS B CD 20 ATOM 28134 C CE . LYS B 1 28 ? -8.155 7.953 -1.721 1.00 0.00 ? 28 LYS B CE 20 ATOM 28135 N NZ . LYS B 1 28 ? -8.519 9.392 -1.828 1.00 0.00 ? 28 LYS B NZ 20 ATOM 28136 H H . LYS B 1 28 ? -7.897 2.374 -3.117 1.00 0.00 ? 28 LYS B H 20 ATOM 28137 H HA . LYS B 1 28 ? -10.072 3.302 -1.529 1.00 0.00 ? 28 LYS B HA 20 ATOM 28138 H HB2 . LYS B 1 28 ? -7.700 4.382 -2.314 1.00 0.00 ? 28 LYS B HB2 20 ATOM 28139 H HB3 . LYS B 1 28 ? -8.816 5.207 -3.393 1.00 0.00 ? 28 LYS B HB3 20 ATOM 28140 H HG2 . LYS B 1 28 ? -9.976 5.292 -0.835 1.00 0.00 ? 28 LYS B HG2 20 ATOM 28141 H HG3 . LYS B 1 28 ? -8.272 5.703 -0.635 1.00 0.00 ? 28 LYS B HG3 20 ATOM 28142 H HD2 . LYS B 1 28 ? -9.616 6.975 -2.924 1.00 0.00 ? 28 LYS B HD2 20 ATOM 28143 H HD3 . LYS B 1 28 ? -10.196 7.475 -1.334 1.00 0.00 ? 28 LYS B HD3 20 ATOM 28144 H HE2 . LYS B 1 28 ? -7.709 7.774 -0.753 1.00 0.00 ? 28 LYS B HE2 20 ATOM 28145 H HE3 . LYS B 1 28 ? -7.440 7.712 -2.495 1.00 0.00 ? 28 LYS B HE3 20 ATOM 28146 H HZ1 . LYS B 1 28 ? -9.524 9.489 -2.079 1.00 0.00 ? 28 LYS B HZ1 20 ATOM 28147 H HZ2 . LYS B 1 28 ? -8.354 9.872 -0.920 1.00 0.00 ? 28 LYS B HZ2 20 ATOM 28148 H HZ3 . LYS B 1 28 ? -7.943 9.854 -2.560 1.00 0.00 ? 28 LYS B HZ3 20 ATOM 28149 N N . GLN B 1 29 ? -10.406 3.194 -4.768 1.00 0.00 ? 29 GLN B N 20 ATOM 28150 C CA . GLN B 1 29 ? -11.364 3.296 -5.861 1.00 0.00 ? 29 GLN B CA 20 ATOM 28151 C C . GLN B 1 29 ? -12.518 2.321 -5.659 1.00 0.00 ? 29 GLN B C 20 ATOM 28152 O O . GLN B 1 29 ? -13.678 2.660 -5.893 1.00 0.00 ? 29 GLN B O 20 ATOM 28153 C CB . GLN B 1 29 ? -10.675 3.019 -7.199 1.00 0.00 ? 29 GLN B CB 20 ATOM 28154 C CG . GLN B 1 29 ? -11.297 3.765 -8.368 1.00 0.00 ? 29 GLN B CG 20 ATOM 28155 C CD . GLN B 1 29 ? -10.662 5.123 -8.597 1.00 0.00 ? 29 GLN B CD 20 ATOM 28156 O OE1 . GLN B 1 29 ? -9.571 5.402 -8.102 1.00 0.00 ? 29 GLN B OE1 20 ATOM 28157 N NE2 . GLN B 1 29 ? -11.345 5.976 -9.351 1.00 0.00 ? 29 GLN B NE2 20 ATOM 28158 H H . GLN B 1 29 ? -9.523 2.807 -4.940 1.00 0.00 ? 29 GLN B H 20 ATOM 28159 H HA . GLN B 1 29 ? -11.755 4.302 -5.868 1.00 0.00 ? 29 GLN B HA 20 ATOM 28160 H HB2 . GLN B 1 29 ? -9.639 3.311 -7.125 1.00 0.00 ? 29 GLN B HB2 20 ATOM 28161 H HB3 . GLN B 1 29 ? -10.728 1.961 -7.406 1.00 0.00 ? 29 GLN B HB3 20 ATOM 28162 H HG2 . GLN B 1 29 ? -11.175 3.173 -9.263 1.00 0.00 ? 29 GLN B HG2 20 ATOM 28163 H HG3 . GLN B 1 29 ? -12.349 3.905 -8.171 1.00 0.00 ? 29 GLN B HG3 20 ATOM 28164 H HE21 . GLN B 1 29 ? -12.208 5.686 -9.713 1.00 0.00 ? 29 GLN B HE21 20 ATOM 28165 H HE22 . GLN B 1 29 ? -10.958 6.862 -9.516 1.00 0.00 ? 29 GLN B HE22 20 ATOM 28166 N N . SER B 1 30 ? -12.192 1.108 -5.221 1.00 0.00 ? 30 SER B N 20 ATOM 28167 C CA . SER B 1 30 ? -13.206 0.085 -4.985 1.00 0.00 ? 30 SER B CA 20 ATOM 28168 C C . SER B 1 30 ? -14.100 0.463 -3.806 1.00 0.00 ? 30 SER B C 20 ATOM 28169 O O . SER B 1 30 ? -15.321 0.324 -3.872 1.00 0.00 ? 30 SER B O 20 ATOM 28170 C CB . SER B 1 30 ? -12.543 -1.268 -4.725 1.00 0.00 ? 30 SER B CB 20 ATOM 28171 O OG . SER B 1 30 ? -13.012 -2.249 -5.635 1.00 0.00 ? 30 SER B OG 20 ATOM 28172 H H . SER B 1 30 ? -11.248 0.897 -5.052 1.00 0.00 ? 30 SER B H 20 ATOM 28173 H HA . SER B 1 30 ? -13.816 0.014 -5.873 1.00 0.00 ? 30 SER B HA 20 ATOM 28174 H HB2 . SER B 1 30 ? -11.474 -1.172 -4.840 1.00 0.00 ? 30 SER B HB2 20 ATOM 28175 H HB3 . SER B 1 30 ? -12.770 -1.590 -3.719 1.00 0.00 ? 30 SER B HB3 20 ATOM 28176 H HG . SER B 1 30 ? -13.461 -2.947 -5.152 1.00 0.00 ? 30 SER B HG 20 ATOM 28177 N N . ILE B 1 31 ? -13.482 0.939 -2.731 1.00 0.00 ? 31 ILE B N 20 ATOM 28178 C CA . ILE B 1 31 ? -14.218 1.338 -1.534 1.00 0.00 ? 31 ILE B CA 20 ATOM 28179 C C . ILE B 1 31 ? -15.024 2.607 -1.782 1.00 0.00 ? 31 ILE B C 20 ATOM 28180 O O . ILE B 1 31 ? -16.033 2.855 -1.120 1.00 0.00 ? 31 ILE B O 20 ATOM 28181 C CB . ILE B 1 31 ? -13.265 1.564 -0.341 1.00 0.00 ? 31 ILE B CB 20 ATOM 28182 C CG1 . ILE B 1 31 ? -14.037 1.991 0.907 1.00 0.00 ? 31 ILE B CG1 20 ATOM 28183 C CG2 . ILE B 1 31 ? -12.225 2.618 -0.684 1.00 0.00 ? 31 ILE B CG2 20 ATOM 28184 C CD1 . ILE B 1 31 ? -14.796 0.866 1.566 1.00 0.00 ? 31 ILE B CD1 20 ATOM 28185 H H . ILE B 1 31 ? -12.506 1.024 -2.742 1.00 0.00 ? 31 ILE B H 20 ATOM 28186 H HA . ILE B 1 31 ? -14.896 0.536 -1.277 1.00 0.00 ? 31 ILE B HA 20 ATOM 28187 H HB . ILE B 1 31 ? -12.755 0.632 -0.139 1.00 0.00 ? 31 ILE B HB 20 ATOM 28188 H HG12 . ILE B 1 31 ? -13.337 2.383 1.633 1.00 0.00 ? 31 ILE B HG12 20 ATOM 28189 H HG13 . ILE B 1 31 ? -14.744 2.762 0.642 1.00 0.00 ? 31 ILE B HG13 20 ATOM 28190 H HG21 . ILE B 1 31 ? -11.791 2.403 -1.647 1.00 0.00 ? 31 ILE B HG21 20 ATOM 28191 H HG22 . ILE B 1 31 ? -12.696 3.590 -0.712 1.00 0.00 ? 31 ILE B HG22 20 ATOM 28192 H HG23 . ILE B 1 31 ? -11.451 2.617 0.067 1.00 0.00 ? 31 ILE B HG23 20 ATOM 28193 H HD11 . ILE B 1 31 ? -15.275 0.262 0.809 1.00 0.00 ? 31 ILE B HD11 20 ATOM 28194 H HD12 . ILE B 1 31 ? -14.108 0.255 2.132 1.00 0.00 ? 31 ILE B HD12 20 ATOM 28195 H HD13 . ILE B 1 31 ? -15.544 1.275 2.230 1.00 0.00 ? 31 ILE B HD13 20 ATOM 28196 N N . LYS B 1 32 ? -14.576 3.409 -2.742 1.00 0.00 ? 32 LYS B N 20 ATOM 28197 C CA . LYS B 1 32 ? -15.259 4.653 -3.079 1.00 0.00 ? 32 LYS B CA 20 ATOM 28198 C C . LYS B 1 32 ? -16.502 4.382 -3.919 1.00 0.00 ? 32 LYS B C 20 ATOM 28199 O O . LYS B 1 32 ? -17.516 5.067 -3.782 1.00 0.00 ? 32 LYS B O 20 ATOM 28200 C CB . LYS B 1 32 ? -14.313 5.590 -3.834 1.00 0.00 ? 32 LYS B CB 20 ATOM 28201 C CG . LYS B 1 32 ? -13.369 6.362 -2.926 1.00 0.00 ? 32 LYS B CG 20 ATOM 28202 C CD . LYS B 1 32 ? -12.258 7.032 -3.720 1.00 0.00 ? 32 LYS B CD 20 ATOM 28203 C CE . LYS B 1 32 ? -12.817 7.937 -4.805 1.00 0.00 ? 32 LYS B CE 20 ATOM 28204 N NZ . LYS B 1 32 ? -13.394 9.189 -4.242 1.00 0.00 ? 32 LYS B NZ 20 ATOM 28205 H H . LYS B 1 32 ? -13.768 3.158 -3.237 1.00 0.00 ? 32 LYS B H 20 ATOM 28206 H HA . LYS B 1 32 ? -15.559 5.126 -2.156 1.00 0.00 ? 32 LYS B HA 20 ATOM 28207 H HB2 . LYS B 1 32 ? -13.721 5.006 -4.522 1.00 0.00 ? 32 LYS B HB2 20 ATOM 28208 H HB3 . LYS B 1 32 ? -14.902 6.302 -4.394 1.00 0.00 ? 32 LYS B HB3 20 ATOM 28209 H HG2 . LYS B 1 32 ? -13.930 7.120 -2.401 1.00 0.00 ? 32 LYS B HG2 20 ATOM 28210 H HG3 . LYS B 1 32 ? -12.931 5.678 -2.215 1.00 0.00 ? 32 LYS B HG3 20 ATOM 28211 H HD2 . LYS B 1 32 ? -11.655 7.622 -3.048 1.00 0.00 ? 32 LYS B HD2 20 ATOM 28212 H HD3 . LYS B 1 32 ? -11.648 6.269 -4.179 1.00 0.00 ? 32 LYS B HD3 20 ATOM 28213 H HE2 . LYS B 1 32 ? -12.021 8.194 -5.487 1.00 0.00 ? 32 LYS B HE2 20 ATOM 28214 H HE3 . LYS B 1 32 ? -13.589 7.403 -5.340 1.00 0.00 ? 32 LYS B HE3 20 ATOM 28215 H HZ1 . LYS B 1 32 ? -13.186 9.254 -3.226 1.00 0.00 ? 32 LYS B HZ1 20 ATOM 28216 H HZ2 . LYS B 1 32 ? -12.988 10.018 -4.722 1.00 0.00 ? 32 LYS B HZ2 20 ATOM 28217 H HZ3 . LYS B 1 32 ? -14.426 9.197 -4.373 1.00 0.00 ? 32 LYS B HZ3 20 ATOM 28218 N N . LYS B 1 33 ? -16.419 3.379 -4.786 1.00 0.00 ? 33 LYS B N 20 ATOM 28219 C CA . LYS B 1 33 ? -17.541 3.017 -5.645 1.00 0.00 ? 33 LYS B CA 20 ATOM 28220 C C . LYS B 1 33 ? -18.565 2.192 -4.877 1.00 0.00 ? 33 LYS B C 20 ATOM 28221 O O . LYS B 1 33 ? -19.753 2.201 -5.198 1.00 0.00 ? 33 LYS B O 20 ATOM 28222 C CB . LYS B 1 33 ? -17.046 2.236 -6.864 1.00 0.00 ? 33 LYS B CB 20 ATOM 28223 C CG . LYS B 1 33 ? -18.134 1.954 -7.888 1.00 0.00 ? 33 LYS B CG 20 ATOM 28224 C CD . LYS B 1 33 ? -18.472 3.197 -8.696 1.00 0.00 ? 33 LYS B CD 20 ATOM 28225 C CE . LYS B 1 33 ? -19.014 2.837 -10.070 1.00 0.00 ? 33 LYS B CE 20 ATOM 28226 N NZ . LYS B 1 33 ? -20.299 3.530 -10.360 1.00 0.00 ? 33 LYS B NZ 20 ATOM 28227 H H . LYS B 1 33 ? -15.585 2.868 -4.848 1.00 0.00 ? 33 LYS B H 20 ATOM 28228 H HA . LYS B 1 33 ? -18.009 3.931 -5.979 1.00 0.00 ? 33 LYS B HA 20 ATOM 28229 H HB2 . LYS B 1 33 ? -16.264 2.800 -7.347 1.00 0.00 ? 33 LYS B HB2 20 ATOM 28230 H HB3 . LYS B 1 33 ? -16.643 1.291 -6.532 1.00 0.00 ? 33 LYS B HB3 20 ATOM 28231 H HG2 . LYS B 1 33 ? -17.791 1.183 -8.561 1.00 0.00 ? 33 LYS B HG2 20 ATOM 28232 H HG3 . LYS B 1 33 ? -19.021 1.617 -7.373 1.00 0.00 ? 33 LYS B HG3 20 ATOM 28233 H HD2 . LYS B 1 33 ? -19.218 3.768 -8.164 1.00 0.00 ? 33 LYS B HD2 20 ATOM 28234 H HD3 . LYS B 1 33 ? -17.578 3.792 -8.815 1.00 0.00 ? 33 LYS B HD3 20 ATOM 28235 H HE2 . LYS B 1 33 ? -18.286 3.123 -10.815 1.00 0.00 ? 33 LYS B HE2 20 ATOM 28236 H HE3 . LYS B 1 33 ? -19.171 1.770 -10.113 1.00 0.00 ? 33 LYS B HE3 20 ATOM 28237 H HZ1 . LYS B 1 33 ? -20.888 3.563 -9.502 1.00 0.00 ? 33 LYS B HZ1 20 ATOM 28238 H HZ2 . LYS B 1 33 ? -20.117 4.503 -10.682 1.00 0.00 ? 33 LYS B HZ2 20 ATOM 28239 H HZ3 . LYS B 1 33 ? -20.820 3.022 -11.103 1.00 0.00 ? 33 LYS B HZ3 20 ATOM 28240 N N . LEU B 1 34 ? -18.096 1.480 -3.857 1.00 0.00 ? 34 LEU B N 20 ATOM 28241 C CA . LEU B 1 34 ? -18.970 0.650 -3.038 1.00 0.00 ? 34 LEU B CA 20 ATOM 28242 C C . LEU B 1 34 ? -19.697 1.495 -1.998 1.00 0.00 ? 34 LEU B C 20 ATOM 28243 O O . LEU B 1 34 ? -20.808 1.167 -1.581 1.00 0.00 ? 34 LEU B O 20 ATOM 28244 C CB . LEU B 1 34 ? -18.162 -0.452 -2.349 1.00 0.00 ? 34 LEU B CB 20 ATOM 28245 C CG . LEU B 1 34 ? -18.426 -1.867 -2.866 1.00 0.00 ? 34 LEU B CG 20 ATOM 28246 C CD1 . LEU B 1 34 ? -17.315 -2.810 -2.432 1.00 0.00 ? 34 LEU B CD1 20 ATOM 28247 C CD2 . LEU B 1 34 ? -19.776 -2.370 -2.378 1.00 0.00 ? 34 LEU B CD2 20 ATOM 28248 H H . LEU B 1 34 ? -17.140 1.517 -3.650 1.00 0.00 ? 34 LEU B H 20 ATOM 28249 H HA . LEU B 1 34 ? -19.701 0.196 -3.690 1.00 0.00 ? 34 LEU B HA 20 ATOM 28250 H HB2 . LEU B 1 34 ? -17.112 -0.233 -2.478 1.00 0.00 ? 34 LEU B HB2 20 ATOM 28251 H HB3 . LEU B 1 34 ? -18.389 -0.431 -1.293 1.00 0.00 ? 34 LEU B HB3 20 ATOM 28252 H HG . LEU B 1 34 ? -18.445 -1.850 -3.947 1.00 0.00 ? 34 LEU B HG 20 ATOM 28253 H HD11 . LEU B 1 34 ? -16.358 -2.380 -2.688 1.00 0.00 ? 34 LEU B HD11 20 ATOM 28254 H HD12 . LEU B 1 34 ? -17.367 -2.961 -1.364 1.00 0.00 ? 34 LEU B HD12 20 ATOM 28255 H HD13 . LEU B 1 34 ? -17.430 -3.758 -2.936 1.00 0.00 ? 34 LEU B HD13 20 ATOM 28256 H HD21 . LEU B 1 34 ? -20.510 -1.583 -2.474 1.00 0.00 ? 34 LEU B HD21 20 ATOM 28257 H HD22 . LEU B 1 34 ? -20.080 -3.220 -2.970 1.00 0.00 ? 34 LEU B HD22 20 ATOM 28258 H HD23 . LEU B 1 34 ? -19.697 -2.663 -1.341 1.00 0.00 ? 34 LEU B HD23 20 ATOM 28259 N N . LYS B 1 35 ? -19.064 2.590 -1.585 1.00 0.00 ? 35 LYS B N 20 ATOM 28260 C CA . LYS B 1 35 ? -19.652 3.485 -0.597 1.00 0.00 ? 35 LYS B CA 20 ATOM 28261 C C . LYS B 1 35 ? -20.686 4.400 -1.243 1.00 0.00 ? 35 LYS B C 20 ATOM 28262 O O . LYS B 1 35 ? -21.713 4.716 -0.642 1.00 0.00 ? 35 LYS B O 20 ATOM 28263 C CB . LYS B 1 35 ? -18.563 4.321 0.079 1.00 0.00 ? 35 LYS B CB 20 ATOM 28264 C CG . LYS B 1 35 ? -18.059 3.724 1.382 1.00 0.00 ? 35 LYS B CG 20 ATOM 28265 C CD . LYS B 1 35 ? -17.251 4.734 2.182 1.00 0.00 ? 35 LYS B CD 20 ATOM 28266 C CE . LYS B 1 35 ? -16.364 4.050 3.208 1.00 0.00 ? 35 LYS B CE 20 ATOM 28267 N NZ . LYS B 1 35 ? -15.327 4.972 3.749 1.00 0.00 ? 35 LYS B NZ 20 ATOM 28268 H H . LYS B 1 35 ? -18.181 2.800 -1.957 1.00 0.00 ? 35 LYS B H 20 ATOM 28269 H HA . LYS B 1 35 ? -20.143 2.877 0.149 1.00 0.00 ? 35 LYS B HA 20 ATOM 28270 H HB2 . LYS B 1 35 ? -17.726 4.414 -0.597 1.00 0.00 ? 35 LYS B HB2 20 ATOM 28271 H HB3 . LYS B 1 35 ? -18.959 5.304 0.287 1.00 0.00 ? 35 LYS B HB3 20 ATOM 28272 H HG2 . LYS B 1 35 ? -18.905 3.407 1.974 1.00 0.00 ? 35 LYS B HG2 20 ATOM 28273 H HG3 . LYS B 1 35 ? -17.434 2.872 1.159 1.00 0.00 ? 35 LYS B HG3 20 ATOM 28274 H HD2 . LYS B 1 35 ? -16.629 5.300 1.504 1.00 0.00 ? 35 LYS B HD2 20 ATOM 28275 H HD3 . LYS B 1 35 ? -17.930 5.401 2.693 1.00 0.00 ? 35 LYS B HD3 20 ATOM 28276 H HE2 . LYS B 1 35 ? -16.980 3.700 4.022 1.00 0.00 ? 35 LYS B HE2 20 ATOM 28277 H HE3 . LYS B 1 35 ? -15.876 3.208 2.740 1.00 0.00 ? 35 LYS B HE3 20 ATOM 28278 H HZ1 . LYS B 1 35 ? -14.797 5.411 2.968 1.00 0.00 ? 35 LYS B HZ1 20 ATOM 28279 H HZ2 . LYS B 1 35 ? -15.774 5.722 4.313 1.00 0.00 ? 35 LYS B HZ2 20 ATOM 28280 H HZ3 . LYS B 1 35 ? -14.662 4.448 4.353 1.00 0.00 ? 35 LYS B HZ3 20 ATOM 28281 N N . GLN B 1 36 ? -20.408 4.821 -2.473 1.00 0.00 ? 36 GLN B N 20 ATOM 28282 C CA . GLN B 1 36 ? -21.316 5.699 -3.203 1.00 0.00 ? 36 GLN B CA 20 ATOM 28283 C C . GLN B 1 36 ? -22.488 4.909 -3.772 1.00 0.00 ? 36 GLN B C 20 ATOM 28284 O O . GLN B 1 36 ? -23.588 5.438 -3.930 1.00 0.00 ? 36 GLN B O 20 ATOM 28285 C CB . GLN B 1 36 ? -20.570 6.415 -4.331 1.00 0.00 ? 36 GLN B CB 20 ATOM 28286 C CG . GLN B 1 36 ? -20.929 7.886 -4.459 1.00 0.00 ? 36 GLN B CG 20 ATOM 28287 C CD . GLN B 1 36 ? -20.182 8.572 -5.585 1.00 0.00 ? 36 GLN B CD 20 ATOM 28288 O OE1 . GLN B 1 36 ? -20.769 8.939 -6.603 1.00 0.00 ? 36 GLN B OE1 20 ATOM 28289 N NE2 . GLN B 1 36 ? -18.877 8.750 -5.408 1.00 0.00 ? 36 GLN B NE2 20 ATOM 28290 H H . GLN B 1 36 ? -19.573 4.534 -2.900 1.00 0.00 ? 36 GLN B H 20 ATOM 28291 H HA . GLN B 1 36 ? -21.694 6.434 -2.509 1.00 0.00 ? 36 GLN B HA 20 ATOM 28292 H HB2 . GLN B 1 36 ? -19.509 6.339 -4.150 1.00 0.00 ? 36 GLN B HB2 20 ATOM 28293 H HB3 . GLN B 1 36 ? -20.802 5.928 -5.266 1.00 0.00 ? 36 GLN B HB3 20 ATOM 28294 H HG2 . GLN B 1 36 ? -21.989 7.970 -4.647 1.00 0.00 ? 36 GLN B HG2 20 ATOM 28295 H HG3 . GLN B 1 36 ? -20.689 8.384 -3.531 1.00 0.00 ? 36 GLN B HG3 20 ATOM 28296 H HE21 . GLN B 1 36 ? -18.476 8.431 -4.572 1.00 0.00 ? 36 GLN B HE21 20 ATOM 28297 H HE22 . GLN B 1 36 ? -18.369 9.190 -6.120 1.00 0.00 ? 36 GLN B HE22 20 ATOM 28298 N N . SER B 1 37 ? -22.246 3.638 -4.076 1.00 0.00 ? 37 SER B N 20 ATOM 28299 C CA . SER B 1 37 ? -23.282 2.772 -4.626 1.00 0.00 ? 37 SER B CA 20 ATOM 28300 C C . SER B 1 37 ? -24.205 2.264 -3.523 1.00 0.00 ? 37 SER B C 20 ATOM 28301 O O . SER B 1 37 ? -25.368 1.950 -3.770 1.00 0.00 ? 37 SER B O 20 ATOM 28302 C CB . SER B 1 37 ? -22.650 1.591 -5.364 1.00 0.00 ? 37 SER B CB 20 ATOM 28303 O OG . SER B 1 37 ? -21.882 0.790 -4.482 1.00 0.00 ? 37 SER B OG 20 ATOM 28304 H H . SER B 1 37 ? -21.348 3.273 -3.925 1.00 0.00 ? 37 SER B H 20 ATOM 28305 H HA . SER B 1 37 ? -23.863 3.355 -5.325 1.00 0.00 ? 37 SER B HA 20 ATOM 28306 H HB2 . SER B 1 37 ? -23.429 0.980 -5.796 1.00 0.00 ? 37 SER B HB2 20 ATOM 28307 H HB3 . SER B 1 37 ? -22.007 1.961 -6.148 1.00 0.00 ? 37 SER B HB3 20 ATOM 28308 H HG . SER B 1 37 ? -22.286 -0.076 -4.401 1.00 0.00 ? 37 SER B HG 20 ATOM 28309 N N . GLU B 1 38 ? -23.677 2.188 -2.305 1.00 0.00 ? 38 GLU B N 20 ATOM 28310 C CA . GLU B 1 38 ? -24.455 1.720 -1.165 1.00 0.00 ? 38 GLU B CA 20 ATOM 28311 C C . GLU B 1 38 ? -25.386 2.815 -0.655 1.00 0.00 ? 38 GLU B C 20 ATOM 28312 O O . GLU B 1 38 ? -26.419 2.532 -0.048 1.00 0.00 ? 38 GLU B O 20 ATOM 28313 C CB . GLU B 1 38 ? -23.524 1.261 -0.040 1.00 0.00 ? 38 GLU B CB 20 ATOM 28314 C CG . GLU B 1 38 ? -23.521 -0.245 0.171 1.00 0.00 ? 38 GLU B CG 20 ATOM 28315 C CD . GLU B 1 38 ? -23.481 -0.628 1.637 1.00 0.00 ? 38 GLU B CD 20 ATOM 28316 O OE1 . GLU B 1 38 ? -23.020 0.197 2.454 1.00 0.00 ? 38 GLU B OE1 20 ATOM 28317 O OE2 . GLU B 1 38 ? -23.909 -1.753 1.968 1.00 0.00 ? 38 GLU B OE2 20 ATOM 28318 H H . GLU B 1 38 ? -22.743 2.454 -2.171 1.00 0.00 ? 38 GLU B H 20 ATOM 28319 H HA . GLU B 1 38 ? -25.050 0.880 -1.492 1.00 0.00 ? 38 GLU B HA 20 ATOM 28320 H HB2 . GLU B 1 38 ? -22.516 1.572 -0.272 1.00 0.00 ? 38 GLU B HB2 20 ATOM 28321 H HB3 . GLU B 1 38 ? -23.834 1.731 0.882 1.00 0.00 ? 38 GLU B HB3 20 ATOM 28322 H HG2 . GLU B 1 38 ? -24.417 -0.659 -0.269 1.00 0.00 ? 38 GLU B HG2 20 ATOM 28323 H HG3 . GLU B 1 38 ? -22.654 -0.663 -0.320 1.00 0.00 ? 38 GLU B HG3 20 ATOM 28324 N N . ASP B 1 39 ? -25.014 4.065 -0.908 1.00 0.00 ? 39 ASP B N 20 ATOM 28325 C CA . ASP B 1 39 ? -25.817 5.204 -0.476 1.00 0.00 ? 39 ASP B CA 20 ATOM 28326 C C . ASP B 1 39 ? -27.057 5.358 -1.351 1.00 0.00 ? 39 ASP B C 20 ATOM 28327 O O . ASP B 1 39 ? -28.088 5.858 -0.901 1.00 0.00 ? 39 ASP B O 20 ATOM 28328 C CB . ASP B 1 39 ? -24.986 6.487 -0.518 1.00 0.00 ? 39 ASP B CB 20 ATOM 28329 C CG . ASP B 1 39 ? -24.899 7.163 0.837 1.00 0.00 ? 39 ASP B CG 20 ATOM 28330 O OD1 . ASP B 1 39 ? -24.009 6.790 1.630 1.00 0.00 ? 39 ASP B OD1 20 ATOM 28331 O OD2 . ASP B 1 39 ? -25.718 8.067 1.103 1.00 0.00 ? 39 ASP B OD2 20 ATOM 28332 H H . ASP B 1 39 ? -24.180 4.228 -1.396 1.00 0.00 ? 39 ASP B H 20 ATOM 28333 H HA . ASP B 1 39 ? -26.130 5.021 0.541 1.00 0.00 ? 39 ASP B HA 20 ATOM 28334 H HB2 . ASP B 1 39 ? -23.985 6.249 -0.846 1.00 0.00 ? 39 ASP B HB2 20 ATOM 28335 H HB3 . ASP B 1 39 ? -25.436 7.177 -1.216 1.00 0.00 ? 39 ASP B HB3 20 ATOM 28336 N N . ASP B 1 40 ? -26.949 4.925 -2.603 1.00 0.00 ? 40 ASP B N 20 ATOM 28337 C CA . ASP B 1 40 ? -28.062 5.014 -3.541 1.00 0.00 ? 40 ASP B CA 20 ATOM 28338 C C . ASP B 1 40 ? -28.595 3.628 -3.887 1.00 0.00 ? 40 ASP B C 20 ATOM 28339 O O . ASP B 1 40 ? -27.877 2.797 -4.444 1.00 0.00 ? 40 ASP B O 20 ATOM 28340 C CB . ASP B 1 40 ? -27.624 5.739 -4.816 1.00 0.00 ? 40 ASP B CB 20 ATOM 28341 C CG . ASP B 1 40 ? -28.754 5.881 -5.817 1.00 0.00 ? 40 ASP B CG 20 ATOM 28342 O OD1 . ASP B 1 40 ? -29.492 6.885 -5.739 1.00 0.00 ? 40 ASP B OD1 20 ATOM 28343 O OD2 . ASP B 1 40 ? -28.901 4.988 -6.678 1.00 0.00 ? 40 ASP B OD2 20 ATOM 28344 H H . ASP B 1 40 ? -26.101 4.534 -2.903 1.00 0.00 ? 40 ASP B H 20 ATOM 28345 H HA . ASP B 1 40 ? -28.849 5.581 -3.068 1.00 0.00 ? 40 ASP B HA 20 ATOM 28346 H HB2 . ASP B 1 40 ? -27.270 6.725 -4.558 1.00 0.00 ? 40 ASP B HB2 20 ATOM 28347 H HB3 . ASP B 1 40 ? -26.823 5.182 -5.281 1.00 0.00 ? 40 ASP B HB3 20 ATOM 28348 N N . ASP B 1 41 ? -29.859 3.385 -3.555 1.00 0.00 ? 41 ASP B N 20 ATOM 28349 C CA . ASP B 1 41 ? -30.488 2.100 -3.831 1.00 0.00 ? 41 ASP B CA 20 ATOM 28350 C C . ASP B 1 41 ? -30.475 1.798 -5.327 1.00 0.00 ? 41 ASP B C 20 ATOM 28351 O O . ASP B 1 41 ? -31.015 2.617 -6.099 1.00 0.00 ? 41 ASP B O 20 ATOM 28352 C CB . ASP B 1 41 ? -31.926 2.090 -3.309 1.00 0.00 ? 41 ASP B CB 20 ATOM 28353 C CG . ASP B 1 41 ? -32.163 0.994 -2.289 1.00 0.00 ? 41 ASP B CG 20 ATOM 28354 O OD1 . ASP B 1 41 ? -31.966 1.254 -1.083 1.00 0.00 ? 41 ASP B OD1 20 ATOM 28355 O OD2 . ASP B 1 41 ? -32.546 -0.123 -2.694 1.00 0.00 ? 41 ASP B OD2 20 ATOM 28356 O OXT . ASP B 1 41 ? -29.925 0.744 -5.711 1.00 0.00 ? 41 ASP B OXT 20 ATOM 28357 H H . ASP B 1 41 ? -30.380 4.087 -3.114 1.00 0.00 ? 41 ASP B H 20 ATOM 28358 H HA . ASP B 1 41 ? -29.923 1.337 -3.317 1.00 0.00 ? 41 ASP B HA 20 ATOM 28359 H HB2 . ASP B 1 41 ? -32.140 3.040 -2.846 1.00 0.00 ? 41 ASP B HB2 20 ATOM 28360 H HB3 . ASP B 1 41 ? -32.602 1.937 -4.138 1.00 0.00 ? 41 ASP B HB3 20 ATOM 28361 N N . ALA A 1 1 ? -30.669 8.972 2.757 1.00 0.00 ? 1 ALA A N 21 ATOM 28362 C CA . ALA A 1 1 ? -30.333 7.806 1.900 1.00 0.00 ? 1 ALA A CA 21 ATOM 28363 C C . ALA A 1 1 ? -29.387 6.850 2.620 1.00 0.00 ? 1 ALA A C 21 ATOM 28364 O O . ALA A 1 1 ? -28.190 6.814 2.335 1.00 0.00 ? 1 ALA A O 21 ATOM 28365 C CB . ALA A 1 1 ? -29.715 8.275 0.592 1.00 0.00 ? 1 ALA A CB 21 ATOM 28366 H H1 . ALA A 1 1 ? -30.553 8.680 3.750 1.00 0.00 ? 1 ALA A H1 21 ATOM 28367 H H2 . ALA A 1 1 ? -30.017 9.744 2.514 1.00 0.00 ? 1 ALA A H2 21 ATOM 28368 H H3 . ALA A 1 1 ? -31.654 9.239 2.558 1.00 0.00 ? 1 ALA A H3 21 ATOM 28369 H HA . ALA A 1 1 ? -31.248 7.281 1.668 1.00 0.00 ? 1 ALA A HA 21 ATOM 28370 H HB1 . ALA A 1 1 ? -28.659 8.051 0.592 1.00 0.00 ? 1 ALA A HB1 21 ATOM 28371 H HB2 . ALA A 1 1 ? -29.856 9.341 0.488 1.00 0.00 ? 1 ALA A HB2 21 ATOM 28372 H HB3 . ALA A 1 1 ? -30.191 7.766 -0.234 1.00 0.00 ? 1 ALA A HB3 21 ATOM 28373 N N . LEU A 1 2 ? -29.934 6.073 3.550 1.00 0.00 ? 2 LEU A N 21 ATOM 28374 C CA . LEU A 1 2 ? -29.139 5.112 4.306 1.00 0.00 ? 2 LEU A CA 21 ATOM 28375 C C . LEU A 1 2 ? -29.152 3.751 3.620 1.00 0.00 ? 2 LEU A C 21 ATOM 28376 O O . LEU A 1 2 ? -30.214 3.204 3.327 1.00 0.00 ? 2 LEU A O 21 ATOM 28377 C CB . LEU A 1 2 ? -29.674 4.986 5.733 1.00 0.00 ? 2 LEU A CB 21 ATOM 28378 C CG . LEU A 1 2 ? -29.171 6.051 6.708 1.00 0.00 ? 2 LEU A CG 21 ATOM 28379 C CD1 . LEU A 1 2 ? -30.338 6.804 7.326 1.00 0.00 ? 2 LEU A CD1 21 ATOM 28380 C CD2 . LEU A 1 2 ? -28.310 5.418 7.791 1.00 0.00 ? 2 LEU A CD2 21 ATOM 28381 H H . LEU A 1 2 ? -30.894 6.146 3.728 1.00 0.00 ? 2 LEU A H 21 ATOM 28382 H HA . LEU A 1 2 ? -28.123 5.477 4.341 1.00 0.00 ? 2 LEU A HA 21 ATOM 28383 H HB2 . LEU A 1 2 ? -30.753 5.041 5.697 1.00 0.00 ? 2 LEU A HB2 21 ATOM 28384 H HB3 . LEU A 1 2 ? -29.393 4.017 6.116 1.00 0.00 ? 2 LEU A HB3 21 ATOM 28385 H HG . LEU A 1 2 ? -28.563 6.764 6.171 1.00 0.00 ? 2 LEU A HG 21 ATOM 28386 H HD11 . LEU A 1 2 ? -31.200 6.154 7.375 1.00 0.00 ? 2 LEU A HD11 21 ATOM 28387 H HD12 . LEU A 1 2 ? -30.073 7.124 8.323 1.00 0.00 ? 2 LEU A HD12 21 ATOM 28388 H HD13 . LEU A 1 2 ? -30.572 7.667 6.721 1.00 0.00 ? 2 LEU A HD13 21 ATOM 28389 H HD21 . LEU A 1 2 ? -27.743 4.601 7.367 1.00 0.00 ? 2 LEU A HD21 21 ATOM 28390 H HD22 . LEU A 1 2 ? -27.632 6.157 8.190 1.00 0.00 ? 2 LEU A HD22 21 ATOM 28391 H HD23 . LEU A 1 2 ? -28.942 5.044 8.582 1.00 0.00 ? 2 LEU A HD23 21 ATOM 28392 N N . LYS A 1 3 ? -27.965 3.214 3.357 1.00 0.00 ? 3 LYS A N 21 ATOM 28393 C CA . LYS A 1 3 ? -27.847 1.921 2.694 1.00 0.00 ? 3 LYS A CA 21 ATOM 28394 C C . LYS A 1 3 ? -27.559 0.804 3.696 1.00 0.00 ? 3 LYS A C 21 ATOM 28395 O O . LYS A 1 3 ? -28.127 -0.280 3.597 1.00 0.00 ? 3 LYS A O 21 ATOM 28396 C CB . LYS A 1 3 ? -26.752 1.973 1.629 1.00 0.00 ? 3 LYS A CB 21 ATOM 28397 C CG . LYS A 1 3 ? -27.153 2.760 0.390 1.00 0.00 ? 3 LYS A CG 21 ATOM 28398 C CD . LYS A 1 3 ? -27.618 4.163 0.746 1.00 0.00 ? 3 LYS A CD 21 ATOM 28399 C CE . LYS A 1 3 ? -27.825 5.016 -0.495 1.00 0.00 ? 3 LYS A CE 21 ATOM 28400 N NZ . LYS A 1 3 ? -26.745 6.028 -0.660 1.00 0.00 ? 3 LYS A NZ 21 ATOM 28401 H H . LYS A 1 3 ? -27.152 3.700 3.608 1.00 0.00 ? 3 LYS A H 21 ATOM 28402 H HA . LYS A 1 3 ? -28.791 1.714 2.212 1.00 0.00 ? 3 LYS A HA 21 ATOM 28403 H HB2 . LYS A 1 3 ? -25.873 2.435 2.053 1.00 0.00 ? 3 LYS A HB2 21 ATOM 28404 H HB3 . LYS A 1 3 ? -26.509 0.966 1.326 1.00 0.00 ? 3 LYS A HB3 21 ATOM 28405 H HG2 . LYS A 1 3 ? -26.302 2.831 -0.272 1.00 0.00 ? 3 LYS A HG2 21 ATOM 28406 H HG3 . LYS A 1 3 ? -27.957 2.240 -0.110 1.00 0.00 ? 3 LYS A HG3 21 ATOM 28407 H HD2 . LYS A 1 3 ? -28.552 4.097 1.284 1.00 0.00 ? 3 LYS A HD2 21 ATOM 28408 H HD3 . LYS A 1 3 ? -26.872 4.630 1.373 1.00 0.00 ? 3 LYS A HD3 21 ATOM 28409 H HE2 . LYS A 1 3 ? -27.837 4.372 -1.361 1.00 0.00 ? 3 LYS A HE2 21 ATOM 28410 H HE3 . LYS A 1 3 ? -28.774 5.525 -0.412 1.00 0.00 ? 3 LYS A HE3 21 ATOM 28411 H HZ1 . LYS A 1 3 ? -26.045 5.931 0.103 1.00 0.00 ? 3 LYS A HZ1 21 ATOM 28412 H HZ2 . LYS A 1 3 ? -26.267 5.895 -1.574 1.00 0.00 ? 3 LYS A HZ2 21 ATOM 28413 H HZ3 . LYS A 1 3 ? -27.146 6.987 -0.628 1.00 0.00 ? 3 LYS A HZ3 21 ATOM 28414 N N . LYS A 1 4 ? -26.679 1.079 4.654 1.00 0.00 ? 4 LYS A N 21 ATOM 28415 C CA . LYS A 1 4 ? -26.313 0.097 5.676 1.00 0.00 ? 4 LYS A CA 21 ATOM 28416 C C . LYS A 1 4 ? -25.445 -1.013 5.090 1.00 0.00 ? 4 LYS A C 21 ATOM 28417 O O . LYS A 1 4 ? -24.222 -0.987 5.222 1.00 0.00 ? 4 LYS A O 21 ATOM 28418 C CB . LYS A 1 4 ? -27.564 -0.501 6.326 1.00 0.00 ? 4 LYS A CB 21 ATOM 28419 C CG . LYS A 1 4 ? -27.764 -0.067 7.771 1.00 0.00 ? 4 LYS A CG 21 ATOM 28420 C CD . LYS A 1 4 ? -26.492 -0.237 8.588 1.00 0.00 ? 4 LYS A CD 21 ATOM 28421 C CE . LYS A 1 4 ? -26.790 -0.766 9.982 1.00 0.00 ? 4 LYS A CE 21 ATOM 28422 N NZ . LYS A 1 4 ? -27.415 -2.117 9.943 1.00 0.00 ? 4 LYS A NZ 21 ATOM 28423 H H . LYS A 1 4 ? -26.264 1.965 4.677 1.00 0.00 ? 4 LYS A H 21 ATOM 28424 H HA . LYS A 1 4 ? -25.741 0.613 6.432 1.00 0.00 ? 4 LYS A HA 21 ATOM 28425 H HB2 . LYS A 1 4 ? -28.431 -0.199 5.759 1.00 0.00 ? 4 LYS A HB2 21 ATOM 28426 H HB3 . LYS A 1 4 ? -27.487 -1.578 6.304 1.00 0.00 ? 4 LYS A HB3 21 ATOM 28427 H HG2 . LYS A 1 4 ? -28.055 0.972 7.789 1.00 0.00 ? 4 LYS A HG2 21 ATOM 28428 H HG3 . LYS A 1 4 ? -28.546 -0.668 8.212 1.00 0.00 ? 4 LYS A HG3 21 ATOM 28429 H HD2 . LYS A 1 4 ? -25.840 -0.933 8.081 1.00 0.00 ? 4 LYS A HD2 21 ATOM 28430 H HD3 . LYS A 1 4 ? -26.001 0.722 8.674 1.00 0.00 ? 4 LYS A HD3 21 ATOM 28431 H HE2 . LYS A 1 4 ? -25.865 -0.824 10.536 1.00 0.00 ? 4 LYS A HE2 21 ATOM 28432 H HE3 . LYS A 1 4 ? -27.462 -0.081 10.477 1.00 0.00 ? 4 LYS A HE3 21 ATOM 28433 H HZ1 . LYS A 1 4 ? -27.528 -2.430 8.956 1.00 0.00 ? 4 LYS A HZ1 21 ATOM 28434 H HZ2 . LYS A 1 4 ? -26.817 -2.802 10.446 1.00 0.00 ? 4 LYS A HZ2 21 ATOM 28435 H HZ3 . LYS A 1 4 ? -28.351 -2.091 10.396 1.00 0.00 ? 4 LYS A HZ3 21 ATOM 28436 N N . HIS A 1 5 ? -26.077 -1.991 4.442 1.00 0.00 ? 5 HIS A N 21 ATOM 28437 C CA . HIS A 1 5 ? -25.352 -3.106 3.835 1.00 0.00 ? 5 HIS A CA 21 ATOM 28438 C C . HIS A 1 5 ? -24.133 -2.603 3.067 1.00 0.00 ? 5 HIS A C 21 ATOM 28439 O O . HIS A 1 5 ? -23.101 -3.275 3.000 1.00 0.00 ? 5 HIS A O 21 ATOM 28440 C CB . HIS A 1 5 ? -26.271 -3.894 2.899 1.00 0.00 ? 5 HIS A CB 21 ATOM 28441 C CG . HIS A 1 5 ? -26.610 -3.168 1.633 1.00 0.00 ? 5 HIS A CG 21 ATOM 28442 N ND1 . HIS A 1 5 ? -25.896 -3.325 0.462 1.00 0.00 ? 5 HIS A ND1 21 ATOM 28443 C CD2 . HIS A 1 5 ? -27.592 -2.279 1.356 1.00 0.00 ? 5 HIS A CD2 21 ATOM 28444 C CE1 . HIS A 1 5 ? -26.424 -2.562 -0.479 1.00 0.00 ? 5 HIS A CE1 21 ATOM 28445 N NE2 . HIS A 1 5 ? -27.454 -1.918 0.038 1.00 0.00 ? 5 HIS A NE2 21 ATOM 28446 H H . HIS A 1 5 ? -27.051 -1.964 4.368 1.00 0.00 ? 5 HIS A H 21 ATOM 28447 H HA . HIS A 1 5 ? -25.018 -3.756 4.630 1.00 0.00 ? 5 HIS A HA 21 ATOM 28448 H HB2 . HIS A 1 5 ? -25.790 -4.823 2.629 1.00 0.00 ? 5 HIS A HB2 21 ATOM 28449 H HB3 . HIS A 1 5 ? -27.196 -4.112 3.414 1.00 0.00 ? 5 HIS A HB3 21 ATOM 28450 H HD1 . HIS A 1 5 ? -25.117 -3.907 0.340 1.00 0.00 ? 5 HIS A HD1 21 ATOM 28451 H HD2 . HIS A 1 5 ? -28.344 -1.919 2.043 1.00 0.00 ? 5 HIS A HD2 21 ATOM 28452 H HE1 . HIS A 1 5 ? -26.075 -2.480 -1.497 1.00 0.00 ? 5 HIS A HE1 21 ATOM 28453 H HE2 . HIS A 1 5 ? -28.026 -1.286 -0.444 1.00 0.00 ? 5 HIS A HE2 21 ATOM 28454 N N . HIS A 1 6 ? -24.258 -1.407 2.501 1.00 0.00 ? 6 HIS A N 21 ATOM 28455 C CA . HIS A 1 6 ? -23.168 -0.802 1.750 1.00 0.00 ? 6 HIS A CA 21 ATOM 28456 C C . HIS A 1 6 ? -22.009 -0.478 2.679 1.00 0.00 ? 6 HIS A C 21 ATOM 28457 O O . HIS A 1 6 ? -20.874 -0.851 2.411 1.00 0.00 ? 6 HIS A O 21 ATOM 28458 C CB . HIS A 1 6 ? -23.642 0.463 1.033 1.00 0.00 ? 6 HIS A CB 21 ATOM 28459 C CG . HIS A 1 6 ? -23.987 0.241 -0.407 1.00 0.00 ? 6 HIS A CG 21 ATOM 28460 N ND1 . HIS A 1 6 ? -25.264 -0.046 -0.840 1.00 0.00 ? 6 HIS A ND1 21 ATOM 28461 C CD2 . HIS A 1 6 ? -23.212 0.266 -1.517 1.00 0.00 ? 6 HIS A CD2 21 ATOM 28462 C CE1 . HIS A 1 6 ? -25.260 -0.190 -2.153 1.00 0.00 ? 6 HIS A CE1 21 ATOM 28463 N NE2 . HIS A 1 6 ? -24.028 -0.005 -2.587 1.00 0.00 ? 6 HIS A NE2 21 ATOM 28464 H H . HIS A 1 6 ? -25.103 -0.918 2.600 1.00 0.00 ? 6 HIS A H 21 ATOM 28465 H HA . HIS A 1 6 ? -22.830 -1.523 1.019 1.00 0.00 ? 6 HIS A HA 21 ATOM 28466 H HB2 . HIS A 1 6 ? -24.523 0.841 1.530 1.00 0.00 ? 6 HIS A HB2 21 ATOM 28467 H HB3 . HIS A 1 6 ? -22.861 1.209 1.078 1.00 0.00 ? 6 HIS A HB3 21 ATOM 28468 H HD1 . HIS A 1 6 ? -26.056 -0.132 -0.269 1.00 0.00 ? 6 HIS A HD1 21 ATOM 28469 H HD2 . HIS A 1 6 ? -22.149 0.463 -1.554 1.00 0.00 ? 6 HIS A HD2 21 ATOM 28470 H HE1 . HIS A 1 6 ? -26.120 -0.421 -2.766 1.00 0.00 ? 6 HIS A HE1 21 ATOM 28471 H HE2 . HIS A 1 6 ? -23.744 -0.054 -3.524 1.00 0.00 ? 6 HIS A HE2 21 ATOM 28472 N N . GLU A 1 7 ? -22.307 0.204 3.781 1.00 0.00 ? 7 GLU A N 21 ATOM 28473 C CA . GLU A 1 7 ? -21.286 0.552 4.758 1.00 0.00 ? 7 GLU A CA 21 ATOM 28474 C C . GLU A 1 7 ? -20.586 -0.707 5.265 1.00 0.00 ? 7 GLU A C 21 ATOM 28475 O O . GLU A 1 7 ? -19.457 -0.647 5.753 1.00 0.00 ? 7 GLU A O 21 ATOM 28476 C CB . GLU A 1 7 ? -21.911 1.310 5.930 1.00 0.00 ? 7 GLU A CB 21 ATOM 28477 C CG . GLU A 1 7 ? -21.258 2.655 6.205 1.00 0.00 ? 7 GLU A CG 21 ATOM 28478 C CD . GLU A 1 7 ? -21.826 3.339 7.433 1.00 0.00 ? 7 GLU A CD 21 ATOM 28479 O OE1 . GLU A 1 7 ? -22.364 2.632 8.311 1.00 0.00 ? 7 GLU A OE1 21 ATOM 28480 O OE2 . GLU A 1 7 ? -21.734 4.582 7.515 1.00 0.00 ? 7 GLU A OE2 21 ATOM 28481 H H . GLU A 1 7 ? -23.232 0.468 3.945 1.00 0.00 ? 7 GLU A H 21 ATOM 28482 H HA . GLU A 1 7 ? -20.562 1.188 4.273 1.00 0.00 ? 7 GLU A HA 21 ATOM 28483 H HB2 . GLU A 1 7 ? -22.957 1.480 5.719 1.00 0.00 ? 7 GLU A HB2 21 ATOM 28484 H HB3 . GLU A 1 7 ? -21.827 0.705 6.821 1.00 0.00 ? 7 GLU A HB3 21 ATOM 28485 H HG2 . GLU A 1 7 ? -20.200 2.502 6.354 1.00 0.00 ? 7 GLU A HG2 21 ATOM 28486 H HG3 . GLU A 1 7 ? -21.412 3.296 5.349 1.00 0.00 ? 7 GLU A HG3 21 ATOM 28487 N N . ASN A 1 8 ? -21.264 -1.850 5.143 1.00 0.00 ? 8 ASN A N 21 ATOM 28488 C CA . ASN A 1 8 ? -20.708 -3.124 5.583 1.00 0.00 ? 8 ASN A CA 21 ATOM 28489 C C . ASN A 1 8 ? -19.563 -3.553 4.672 1.00 0.00 ? 8 ASN A C 21 ATOM 28490 O O . ASN A 1 8 ? -18.418 -3.666 5.110 1.00 0.00 ? 8 ASN A O 21 ATOM 28491 C CB . ASN A 1 8 ? -21.794 -4.202 5.601 1.00 0.00 ? 8 ASN A CB 21 ATOM 28492 C CG . ASN A 1 8 ? -21.772 -5.026 6.873 1.00 0.00 ? 8 ASN A CG 21 ATOM 28493 O OD1 . ASN A 1 8 ? -20.766 -5.654 7.202 1.00 0.00 ? 8 ASN A OD1 21 ATOM 28494 N ND2 . ASN A 1 8 ? -22.885 -5.026 7.597 1.00 0.00 ? 8 ASN A ND2 21 ATOM 28495 H H . ASN A 1 8 ? -22.159 -1.836 4.745 1.00 0.00 ? 8 ASN A H 21 ATOM 28496 H HA . ASN A 1 8 ? -20.326 -2.992 6.584 1.00 0.00 ? 8 ASN A HA 21 ATOM 28497 H HB2 . ASN A 1 8 ? -22.762 -3.730 5.518 1.00 0.00 ? 8 ASN A HB2 21 ATOM 28498 H HB3 . ASN A 1 8 ? -21.648 -4.865 4.761 1.00 0.00 ? 8 ASN A HB3 21 ATOM 28499 H HD21 . ASN A 1 8 ? -23.648 -4.503 7.274 1.00 0.00 ? 8 ASN A HD21 21 ATOM 28500 H HD22 . ASN A 1 8 ? -22.898 -5.550 8.425 1.00 0.00 ? 8 ASN A HD22 21 ATOM 28501 N N . GLU A 1 9 ? -19.873 -3.774 3.396 1.00 0.00 ? 9 GLU A N 21 ATOM 28502 C CA . GLU A 1 9 ? -18.853 -4.168 2.429 1.00 0.00 ? 9 GLU A CA 21 ATOM 28503 C C . GLU A 1 9 ? -17.878 -3.016 2.176 1.00 0.00 ? 9 GLU A C 21 ATOM 28504 O O . GLU A 1 9 ? -16.819 -3.203 1.578 1.00 0.00 ? 9 GLU A O 21 ATOM 28505 C CB . GLU A 1 9 ? -19.505 -4.600 1.114 1.00 0.00 ? 9 GLU A CB 21 ATOM 28506 C CG . GLU A 1 9 ? -20.231 -5.933 1.203 1.00 0.00 ? 9 GLU A CG 21 ATOM 28507 C CD . GLU A 1 9 ? -21.321 -5.933 2.257 1.00 0.00 ? 9 GLU A CD 21 ATOM 28508 O OE1 . GLU A 1 9 ? -22.407 -5.379 1.989 1.00 0.00 ? 9 GLU A OE1 21 ATOM 28509 O OE2 . GLU A 1 9 ? -21.088 -6.488 3.352 1.00 0.00 ? 9 GLU A OE2 21 ATOM 28510 H H . GLU A 1 9 ? -20.804 -3.651 3.094 1.00 0.00 ? 9 GLU A H 21 ATOM 28511 H HA . GLU A 1 9 ? -18.307 -5.003 2.844 1.00 0.00 ? 9 GLU A HA 21 ATOM 28512 H HB2 . GLU A 1 9 ? -20.217 -3.846 0.814 1.00 0.00 ? 9 GLU A HB2 21 ATOM 28513 H HB3 . GLU A 1 9 ? -18.740 -4.681 0.356 1.00 0.00 ? 9 GLU A HB3 21 ATOM 28514 H HG2 . GLU A 1 9 ? -20.679 -6.149 0.245 1.00 0.00 ? 9 GLU A HG2 21 ATOM 28515 H HG3 . GLU A 1 9 ? -19.514 -6.703 1.447 1.00 0.00 ? 9 GLU A HG3 21 ATOM 28516 N N . ILE A 1 10 ? -18.248 -1.826 2.645 1.00 0.00 ? 10 ILE A N 21 ATOM 28517 C CA . ILE A 1 10 ? -17.430 -0.635 2.487 1.00 0.00 ? 10 ILE A CA 21 ATOM 28518 C C . ILE A 1 10 ? -16.414 -0.547 3.622 1.00 0.00 ? 10 ILE A C 21 ATOM 28519 O O . ILE A 1 10 ? -15.316 -0.019 3.449 1.00 0.00 ? 10 ILE A O 21 ATOM 28520 C CB . ILE A 1 10 ? -18.335 0.624 2.455 1.00 0.00 ? 10 ILE A CB 21 ATOM 28521 C CG1 . ILE A 1 10 ? -19.095 0.687 1.129 1.00 0.00 ? 10 ILE A CG1 21 ATOM 28522 C CG2 . ILE A 1 10 ? -17.548 1.908 2.671 1.00 0.00 ? 10 ILE A CG2 21 ATOM 28523 C CD1 . ILE A 1 10 ? -20.309 1.588 1.170 1.00 0.00 ? 10 ILE A CD1 21 ATOM 28524 H H . ILE A 1 10 ? -19.093 -1.744 3.118 1.00 0.00 ? 10 ILE A H 21 ATOM 28525 H HA . ILE A 1 10 ? -16.905 -0.708 1.546 1.00 0.00 ? 10 ILE A HA 21 ATOM 28526 H HB . ILE A 1 10 ? -19.051 0.537 3.257 1.00 0.00 ? 10 ILE A HB 21 ATOM 28527 H HG12 . ILE A 1 10 ? -18.433 1.058 0.360 1.00 0.00 ? 10 ILE A HG12 21 ATOM 28528 H HG13 . ILE A 1 10 ? -19.427 -0.307 0.863 1.00 0.00 ? 10 ILE A HG13 21 ATOM 28529 H HG21 . ILE A 1 10 ? -16.492 1.691 2.676 1.00 0.00 ? 10 ILE A HG21 21 ATOM 28530 H HG22 . ILE A 1 10 ? -17.771 2.603 1.875 1.00 0.00 ? 10 ILE A HG22 21 ATOM 28531 H HG23 . ILE A 1 10 ? -17.833 2.344 3.617 1.00 0.00 ? 10 ILE A HG23 21 ATOM 28532 H HD11 . ILE A 1 10 ? -20.759 1.543 2.152 1.00 0.00 ? 10 ILE A HD11 21 ATOM 28533 H HD12 . ILE A 1 10 ? -20.011 2.604 0.957 1.00 0.00 ? 10 ILE A HD12 21 ATOM 28534 H HD13 . ILE A 1 10 ? -21.026 1.261 0.431 1.00 0.00 ? 10 ILE A HD13 21 ATOM 28535 N N . SER A 1 11 ? -16.787 -1.086 4.777 1.00 0.00 ? 11 SER A N 21 ATOM 28536 C CA . SER A 1 11 ? -15.907 -1.089 5.935 1.00 0.00 ? 11 SER A CA 21 ATOM 28537 C C . SER A 1 11 ? -14.862 -2.185 5.785 1.00 0.00 ? 11 SER A C 21 ATOM 28538 O O . SER A 1 11 ? -13.735 -2.059 6.266 1.00 0.00 ? 11 SER A O 21 ATOM 28539 C CB . SER A 1 11 ? -16.711 -1.299 7.219 1.00 0.00 ? 11 SER A CB 21 ATOM 28540 O OG . SER A 1 11 ? -15.854 -1.510 8.329 1.00 0.00 ? 11 SER A OG 21 ATOM 28541 H H . SER A 1 11 ? -17.670 -1.505 4.847 1.00 0.00 ? 11 SER A H 21 ATOM 28542 H HA . SER A 1 11 ? -15.409 -0.132 5.979 1.00 0.00 ? 11 SER A HA 21 ATOM 28543 H HB2 . SER A 1 11 ? -17.317 -0.426 7.409 1.00 0.00 ? 11 SER A HB2 21 ATOM 28544 H HB3 . SER A 1 11 ? -17.350 -2.163 7.103 1.00 0.00 ? 11 SER A HB3 21 ATOM 28545 H HG . SER A 1 11 ? -15.754 -0.689 8.816 1.00 0.00 ? 11 SER A HG 21 ATOM 28546 N N . HIS A 1 12 ? -15.245 -3.259 5.098 1.00 0.00 ? 12 HIS A N 21 ATOM 28547 C CA . HIS A 1 12 ? -14.345 -4.377 4.869 1.00 0.00 ? 12 HIS A CA 21 ATOM 28548 C C . HIS A 1 12 ? -13.298 -3.993 3.817 1.00 0.00 ? 12 HIS A C 21 ATOM 28549 O O . HIS A 1 12 ? -12.099 -4.194 4.023 1.00 0.00 ? 12 HIS A O 21 ATOM 28550 C CB . HIS A 1 12 ? -15.165 -5.627 4.474 1.00 0.00 ? 12 HIS A CB 21 ATOM 28551 C CG . HIS A 1 12 ? -14.651 -6.406 3.297 1.00 0.00 ? 12 HIS A CG 21 ATOM 28552 N ND1 . HIS A 1 12 ? -13.596 -7.290 3.376 1.00 0.00 ? 12 HIS A ND1 21 ATOM 28553 C CD2 . HIS A 1 12 ? -15.063 -6.427 2.010 1.00 0.00 ? 12 HIS A CD2 21 ATOM 28554 C CE1 . HIS A 1 12 ? -13.381 -7.822 2.186 1.00 0.00 ? 12 HIS A CE1 21 ATOM 28555 N NE2 . HIS A 1 12 ? -14.259 -7.314 1.340 1.00 0.00 ? 12 HIS A NE2 21 ATOM 28556 H H . HIS A 1 12 ? -16.155 -3.295 4.731 1.00 0.00 ? 12 HIS A H 21 ATOM 28557 H HA . HIS A 1 12 ? -13.833 -4.576 5.799 1.00 0.00 ? 12 HIS A HA 21 ATOM 28558 H HB2 . HIS A 1 12 ? -15.192 -6.301 5.316 1.00 0.00 ? 12 HIS A HB2 21 ATOM 28559 H HB3 . HIS A 1 12 ? -16.176 -5.317 4.246 1.00 0.00 ? 12 HIS A HB3 21 ATOM 28560 H HD1 . HIS A 1 12 ? -13.081 -7.497 4.184 1.00 0.00 ? 12 HIS A HD1 21 ATOM 28561 H HD2 . HIS A 1 12 ? -15.873 -5.847 1.590 1.00 0.00 ? 12 HIS A HD2 21 ATOM 28562 H HE1 . HIS A 1 12 ? -12.618 -8.548 1.946 1.00 0.00 ? 12 HIS A HE1 21 ATOM 28563 H HE2 . HIS A 1 12 ? -14.323 -7.538 0.388 1.00 0.00 ? 12 HIS A HE2 21 ATOM 28564 N N . HIS A 1 13 ? -13.748 -3.418 2.701 1.00 0.00 ? 13 HIS A N 21 ATOM 28565 C CA . HIS A 1 13 ? -12.824 -2.998 1.657 1.00 0.00 ? 13 HIS A CA 21 ATOM 28566 C C . HIS A 1 13 ? -11.917 -1.897 2.187 1.00 0.00 ? 13 HIS A C 21 ATOM 28567 O O . HIS A 1 13 ? -10.766 -1.771 1.774 1.00 0.00 ? 13 HIS A O 21 ATOM 28568 C CB . HIS A 1 13 ? -13.570 -2.495 0.421 1.00 0.00 ? 13 HIS A CB 21 ATOM 28569 C CG . HIS A 1 13 ? -14.516 -3.487 -0.173 1.00 0.00 ? 13 HIS A CG 21 ATOM 28570 N ND1 . HIS A 1 13 ? -14.309 -4.849 -0.133 1.00 0.00 ? 13 HIS A ND1 21 ATOM 28571 C CD2 . HIS A 1 13 ? -15.679 -3.303 -0.836 1.00 0.00 ? 13 HIS A CD2 21 ATOM 28572 C CE1 . HIS A 1 13 ? -15.306 -5.461 -0.748 1.00 0.00 ? 13 HIS A CE1 21 ATOM 28573 N NE2 . HIS A 1 13 ? -16.151 -4.545 -1.182 1.00 0.00 ? 13 HIS A NE2 21 ATOM 28574 H H . HIS A 1 13 ? -14.711 -3.260 2.588 1.00 0.00 ? 13 HIS A H 21 ATOM 28575 H HA . HIS A 1 13 ? -12.218 -3.850 1.384 1.00 0.00 ? 13 HIS A HA 21 ATOM 28576 H HB2 . HIS A 1 13 ? -14.137 -1.614 0.685 1.00 0.00 ? 13 HIS A HB2 21 ATOM 28577 H HB3 . HIS A 1 13 ? -12.847 -2.236 -0.338 1.00 0.00 ? 13 HIS A HB3 21 ATOM 28578 H HD1 . HIS A 1 13 ? -13.544 -5.300 0.282 1.00 0.00 ? 13 HIS A HD1 21 ATOM 28579 H HD2 . HIS A 1 13 ? -16.147 -2.353 -1.052 1.00 0.00 ? 13 HIS A HD2 21 ATOM 28580 H HE1 . HIS A 1 13 ? -15.411 -6.529 -0.873 1.00 0.00 ? 13 HIS A HE1 21 ATOM 28581 H HE2 . HIS A 1 13 ? -16.980 -4.725 -1.673 1.00 0.00 ? 13 HIS A HE2 21 ATOM 28582 N N . ALA A 1 14 ? -12.449 -1.104 3.115 1.00 0.00 ? 14 ALA A N 21 ATOM 28583 C CA . ALA A 1 14 ? -11.690 -0.017 3.716 1.00 0.00 ? 14 ALA A CA 21 ATOM 28584 C C . ALA A 1 14 ? -10.527 -0.569 4.524 1.00 0.00 ? 14 ALA A C 21 ATOM 28585 O O . ALA A 1 14 ? -9.426 -0.019 4.506 1.00 0.00 ? 14 ALA A O 21 ATOM 28586 C CB . ALA A 1 14 ? -12.592 0.839 4.592 1.00 0.00 ? 14 ALA A CB 21 ATOM 28587 H H . ALA A 1 14 ? -13.371 -1.260 3.406 1.00 0.00 ? 14 ALA A H 21 ATOM 28588 H HA . ALA A 1 14 ? -11.303 0.602 2.918 1.00 0.00 ? 14 ALA A HA 21 ATOM 28589 H HB1 . ALA A 1 14 ? -12.831 0.300 5.497 1.00 0.00 ? 14 ALA A HB1 21 ATOM 28590 H HB2 . ALA A 1 14 ? -12.083 1.758 4.844 1.00 0.00 ? 14 ALA A HB2 21 ATOM 28591 H HB3 . ALA A 1 14 ? -13.502 1.068 4.058 1.00 0.00 ? 14 ALA A HB3 21 ATOM 28592 N N . LYS A 1 15 ? -10.778 -1.671 5.222 1.00 0.00 ? 15 LYS A N 21 ATOM 28593 C CA . LYS A 1 15 ? -9.749 -2.314 6.025 1.00 0.00 ? 15 LYS A CA 21 ATOM 28594 C C . LYS A 1 15 ? -8.720 -2.994 5.127 1.00 0.00 ? 15 LYS A C 21 ATOM 28595 O O . LYS A 1 15 ? -7.579 -3.217 5.532 1.00 0.00 ? 15 LYS A O 21 ATOM 28596 C CB . LYS A 1 15 ? -10.375 -3.340 6.973 1.00 0.00 ? 15 LYS A CB 21 ATOM 28597 C CG . LYS A 1 15 ? -10.900 -2.733 8.264 1.00 0.00 ? 15 LYS A CG 21 ATOM 28598 C CD . LYS A 1 15 ? -11.787 -3.712 9.018 1.00 0.00 ? 15 LYS A CD 21 ATOM 28599 C CE . LYS A 1 15 ? -12.071 -3.230 10.432 1.00 0.00 ? 15 LYS A CE 21 ATOM 28600 N NZ . LYS A 1 15 ? -12.353 -4.362 11.357 1.00 0.00 ? 15 LYS A NZ 21 ATOM 28601 H H . LYS A 1 15 ? -11.675 -2.067 5.186 1.00 0.00 ? 15 LYS A H 21 ATOM 28602 H HA . LYS A 1 15 ? -9.256 -1.550 6.607 1.00 0.00 ? 15 LYS A HA 21 ATOM 28603 H HB2 . LYS A 1 15 ? -11.198 -3.823 6.467 1.00 0.00 ? 15 LYS A HB2 21 ATOM 28604 H HB3 . LYS A 1 15 ? -9.632 -4.081 7.225 1.00 0.00 ? 15 LYS A HB3 21 ATOM 28605 H HG2 . LYS A 1 15 ? -10.063 -2.465 8.891 1.00 0.00 ? 15 LYS A HG2 21 ATOM 28606 H HG3 . LYS A 1 15 ? -11.474 -1.848 8.028 1.00 0.00 ? 15 LYS A HG3 21 ATOM 28607 H HD2 . LYS A 1 15 ? -12.723 -3.815 8.489 1.00 0.00 ? 15 LYS A HD2 21 ATOM 28608 H HD3 . LYS A 1 15 ? -11.291 -4.669 9.066 1.00 0.00 ? 15 LYS A HD3 21 ATOM 28609 H HE2 . LYS A 1 15 ? -11.210 -2.687 10.793 1.00 0.00 ? 15 LYS A HE2 21 ATOM 28610 H HE3 . LYS A 1 15 ? -12.927 -2.572 10.410 1.00 0.00 ? 15 LYS A HE3 21 ATOM 28611 H HZ1 . LYS A 1 15 ? -11.569 -5.046 11.335 1.00 0.00 ? 15 LYS A HZ1 21 ATOM 28612 H HZ2 . LYS A 1 15 ? -12.464 -4.009 12.330 1.00 0.00 ? 15 LYS A HZ2 21 ATOM 28613 H HZ3 . LYS A 1 15 ? -13.228 -4.847 11.075 1.00 0.00 ? 15 LYS A HZ3 21 ATOM 28614 N N . GLU A 1 16 ? -9.132 -3.322 3.903 1.00 0.00 ? 16 GLU A N 21 ATOM 28615 C CA . GLU A 1 16 ? -8.245 -3.975 2.946 1.00 0.00 ? 16 GLU A CA 21 ATOM 28616 C C . GLU A 1 16 ? -7.235 -2.988 2.366 1.00 0.00 ? 16 GLU A C 21 ATOM 28617 O O . GLU A 1 16 ? -6.060 -3.315 2.211 1.00 0.00 ? 16 GLU A O 21 ATOM 28618 C CB . GLU A 1 16 ? -9.061 -4.610 1.817 1.00 0.00 ? 16 GLU A CB 21 ATOM 28619 C CG . GLU A 1 16 ? -9.175 -6.121 1.926 1.00 0.00 ? 16 GLU A CG 21 ATOM 28620 C CD . GLU A 1 16 ? -10.598 -6.582 2.174 1.00 0.00 ? 16 GLU A CD 21 ATOM 28621 O OE1 . GLU A 1 16 ? -11.533 -5.915 1.682 1.00 0.00 ? 16 GLU A OE1 21 ATOM 28622 O OE2 . GLU A 1 16 ? -10.779 -7.610 2.860 1.00 0.00 ? 16 GLU A OE2 21 ATOM 28623 H H . GLU A 1 16 ? -10.055 -3.121 3.638 1.00 0.00 ? 16 GLU A H 21 ATOM 28624 H HA . GLU A 1 16 ? -7.709 -4.752 3.470 1.00 0.00 ? 16 GLU A HA 21 ATOM 28625 H HB2 . GLU A 1 16 ? -10.057 -4.193 1.829 1.00 0.00 ? 16 GLU A HB2 21 ATOM 28626 H HB3 . GLU A 1 16 ? -8.592 -4.373 0.872 1.00 0.00 ? 16 GLU A HB3 21 ATOM 28627 H HG2 . GLU A 1 16 ? -8.826 -6.563 1.004 1.00 0.00 ? 16 GLU A HG2 21 ATOM 28628 H HG3 . GLU A 1 16 ? -8.555 -6.460 2.743 1.00 0.00 ? 16 GLU A HG3 21 ATOM 28629 N N . ILE A 1 17 ? -7.696 -1.780 2.050 1.00 0.00 ? 17 ILE A N 21 ATOM 28630 C CA . ILE A 1 17 ? -6.821 -0.754 1.492 1.00 0.00 ? 17 ILE A CA 21 ATOM 28631 C C . ILE A 1 17 ? -5.914 -0.173 2.575 1.00 0.00 ? 17 ILE A C 21 ATOM 28632 O O . ILE A 1 17 ? -4.763 0.178 2.311 1.00 0.00 ? 17 ILE A O 21 ATOM 28633 C CB . ILE A 1 17 ? -7.638 0.381 0.831 1.00 0.00 ? 17 ILE A CB 21 ATOM 28634 C CG1 . ILE A 1 17 ? -6.713 1.508 0.348 1.00 0.00 ? 17 ILE A CG1 21 ATOM 28635 C CG2 . ILE A 1 17 ? -8.689 0.913 1.795 1.00 0.00 ? 17 ILE A CG2 21 ATOM 28636 C CD1 . ILE A 1 17 ? -7.447 2.760 -0.083 1.00 0.00 ? 17 ILE A CD1 21 ATOM 28637 H H . ILE A 1 17 ? -8.643 -1.574 2.197 1.00 0.00 ? 17 ILE A H 21 ATOM 28638 H HA . ILE A 1 17 ? -6.203 -1.215 0.734 1.00 0.00 ? 17 ILE A HA 21 ATOM 28639 H HB . ILE A 1 17 ? -8.154 -0.035 -0.022 1.00 0.00 ? 17 ILE A HB 21 ATOM 28640 H HG12 . ILE A 1 17 ? -6.041 1.781 1.147 1.00 0.00 ? 17 ILE A HG12 21 ATOM 28641 H HG13 . ILE A 1 17 ? -6.138 1.154 -0.494 1.00 0.00 ? 17 ILE A HG13 21 ATOM 28642 H HG21 . ILE A 1 17 ? -8.227 1.139 2.745 1.00 0.00 ? 17 ILE A HG21 21 ATOM 28643 H HG22 . ILE A 1 17 ? -9.132 1.810 1.387 1.00 0.00 ? 17 ILE A HG22 21 ATOM 28644 H HG23 . ILE A 1 17 ? -9.458 0.168 1.936 1.00 0.00 ? 17 ILE A HG23 21 ATOM 28645 H HD11 . ILE A 1 17 ? -8.321 2.486 -0.654 1.00 0.00 ? 17 ILE A HD11 21 ATOM 28646 H HD12 . ILE A 1 17 ? -7.748 3.320 0.790 1.00 0.00 ? 17 ILE A HD12 21 ATOM 28647 H HD13 . ILE A 1 17 ? -6.794 3.366 -0.692 1.00 0.00 ? 17 ILE A HD13 21 ATOM 28648 N N . GLU A 1 18 ? -6.437 -0.082 3.792 1.00 0.00 ? 18 GLU A N 21 ATOM 28649 C CA . GLU A 1 18 ? -5.671 0.447 4.912 1.00 0.00 ? 18 GLU A CA 21 ATOM 28650 C C . GLU A 1 18 ? -4.664 -0.587 5.404 1.00 0.00 ? 18 GLU A C 21 ATOM 28651 O O . GLU A 1 18 ? -3.600 -0.240 5.919 1.00 0.00 ? 18 GLU A O 21 ATOM 28652 C CB . GLU A 1 18 ? -6.605 0.852 6.053 1.00 0.00 ? 18 GLU A CB 21 ATOM 28653 C CG . GLU A 1 18 ? -5.940 1.723 7.105 1.00 0.00 ? 18 GLU A CG 21 ATOM 28654 C CD . GLU A 1 18 ? -5.017 0.936 8.015 1.00 0.00 ? 18 GLU A CD 21 ATOM 28655 O OE1 . GLU A 1 18 ? -5.305 -0.253 8.268 1.00 0.00 ? 18 GLU A OE1 21 ATOM 28656 O OE2 . GLU A 1 18 ? -4.006 1.509 8.474 1.00 0.00 ? 18 GLU A OE2 21 ATOM 28657 H H . GLU A 1 18 ? -7.356 -0.384 3.940 1.00 0.00 ? 18 GLU A H 21 ATOM 28658 H HA . GLU A 1 18 ? -5.135 1.318 4.567 1.00 0.00 ? 18 GLU A HA 21 ATOM 28659 H HB2 . GLU A 1 18 ? -7.442 1.397 5.641 1.00 0.00 ? 18 GLU A HB2 21 ATOM 28660 H HB3 . GLU A 1 18 ? -6.972 -0.042 6.537 1.00 0.00 ? 18 GLU A HB3 21 ATOM 28661 H HG2 . GLU A 1 18 ? -5.363 2.488 6.608 1.00 0.00 ? 18 GLU A HG2 21 ATOM 28662 H HG3 . GLU A 1 18 ? -6.707 2.186 7.708 1.00 0.00 ? 18 GLU A HG3 21 ATOM 28663 N N . ARG A 1 19 ? -5.009 -1.860 5.237 1.00 0.00 ? 19 ARG A N 21 ATOM 28664 C CA . ARG A 1 19 ? -4.136 -2.948 5.659 1.00 0.00 ? 19 ARG A CA 21 ATOM 28665 C C . ARG A 1 19 ? -2.945 -3.077 4.719 1.00 0.00 ? 19 ARG A C 21 ATOM 28666 O O . ARG A 1 19 ? -1.806 -3.235 5.161 1.00 0.00 ? 19 ARG A O 21 ATOM 28667 C CB . ARG A 1 19 ? -4.913 -4.266 5.704 1.00 0.00 ? 19 ARG A CB 21 ATOM 28668 C CG . ARG A 1 19 ? -4.042 -5.476 6.002 1.00 0.00 ? 19 ARG A CG 21 ATOM 28669 C CD . ARG A 1 19 ? -4.849 -6.606 6.617 1.00 0.00 ? 19 ARG A CD 21 ATOM 28670 N NE . ARG A 1 19 ? -5.404 -7.498 5.602 1.00 0.00 ? 19 ARG A NE 21 ATOM 28671 C CZ . ARG A 1 19 ? -4.687 -8.407 4.951 1.00 0.00 ? 19 ARG A CZ 21 ATOM 28672 N NH1 . ARG A 1 19 ? -3.393 -8.544 5.208 1.00 0.00 ? 19 ARG A NH1 21 ATOM 28673 N NH2 . ARG A 1 19 ? -5.263 -9.182 4.042 1.00 0.00 ? 19 ARG A NH2 21 ATOM 28674 H H . ARG A 1 19 ? -5.867 -2.072 4.817 1.00 0.00 ? 19 ARG A H 21 ATOM 28675 H HA . ARG A 1 19 ? -3.774 -2.718 6.650 1.00 0.00 ? 19 ARG A HA 21 ATOM 28676 H HB2 . ARG A 1 19 ? -5.670 -4.198 6.471 1.00 0.00 ? 19 ARG A HB2 21 ATOM 28677 H HB3 . ARG A 1 19 ? -5.392 -4.421 4.750 1.00 0.00 ? 19 ARG A HB3 21 ATOM 28678 H HG2 . ARG A 1 19 ? -3.598 -5.823 5.081 1.00 0.00 ? 19 ARG A HG2 21 ATOM 28679 H HG3 . ARG A 1 19 ? -3.262 -5.184 6.692 1.00 0.00 ? 19 ARG A HG3 21 ATOM 28680 H HD2 . ARG A 1 19 ? -4.207 -7.177 7.270 1.00 0.00 ? 19 ARG A HD2 21 ATOM 28681 H HD3 . ARG A 1 19 ? -5.660 -6.181 7.192 1.00 0.00 ? 19 ARG A HD3 21 ATOM 28682 H HE . ARG A 1 19 ? -6.358 -7.413 5.396 1.00 0.00 ? 19 ARG A HE 21 ATOM 28683 H HH11 . ARG A 1 19 ? -2.956 -7.962 5.894 1.00 0.00 ? 19 ARG A HH11 21 ATOM 28684 H HH12 . ARG A 1 19 ? -2.856 -9.230 4.718 1.00 0.00 ? 19 ARG A HH12 21 ATOM 28685 H HH21 . ARG A 1 19 ? -6.238 -9.082 3.845 1.00 0.00 ? 19 ARG A HH21 21 ATOM 28686 H HH22 . ARG A 1 19 ? -4.722 -9.865 3.552 1.00 0.00 ? 19 ARG A HH22 21 ATOM 28687 N N . LEU A 1 20 ? -3.210 -3.000 3.418 1.00 0.00 ? 20 LEU A N 21 ATOM 28688 C CA . LEU A 1 20 ? -2.151 -3.100 2.428 1.00 0.00 ? 20 LEU A CA 21 ATOM 28689 C C . LEU A 1 20 ? -1.220 -1.900 2.536 1.00 0.00 ? 20 LEU A C 21 ATOM 28690 O O . LEU A 1 20 ? -0.013 -2.016 2.326 1.00 0.00 ? 20 LEU A O 21 ATOM 28691 C CB . LEU A 1 20 ? -2.743 -3.185 1.021 1.00 0.00 ? 20 LEU A CB 21 ATOM 28692 C CG . LEU A 1 20 ? -3.714 -4.345 0.797 1.00 0.00 ? 20 LEU A CG 21 ATOM 28693 C CD1 . LEU A 1 20 ? -4.692 -4.015 -0.321 1.00 0.00 ? 20 LEU A CD1 21 ATOM 28694 C CD2 . LEU A 1 20 ? -2.954 -5.624 0.482 1.00 0.00 ? 20 LEU A CD2 21 ATOM 28695 H H . LEU A 1 20 ? -4.135 -2.862 3.119 1.00 0.00 ? 20 LEU A H 21 ATOM 28696 H HA . LEU A 1 20 ? -1.588 -3.998 2.632 1.00 0.00 ? 20 LEU A HA 21 ATOM 28697 H HB2 . LEU A 1 20 ? -3.263 -2.262 0.814 1.00 0.00 ? 20 LEU A HB2 21 ATOM 28698 H HB3 . LEU A 1 20 ? -1.930 -3.287 0.318 1.00 0.00 ? 20 LEU A HB3 21 ATOM 28699 H HG . LEU A 1 20 ? -4.285 -4.508 1.701 1.00 0.00 ? 20 LEU A HG 21 ATOM 28700 H HD11 . LEU A 1 20 ? -4.167 -3.515 -1.121 1.00 0.00 ? 20 LEU A HD11 21 ATOM 28701 H HD12 . LEU A 1 20 ? -5.133 -4.926 -0.694 1.00 0.00 ? 20 LEU A HD12 21 ATOM 28702 H HD13 . LEU A 1 20 ? -5.469 -3.367 0.060 1.00 0.00 ? 20 LEU A HD13 21 ATOM 28703 H HD21 . LEU A 1 20 ? -1.929 -5.383 0.244 1.00 0.00 ? 20 LEU A HD21 21 ATOM 28704 H HD22 . LEU A 1 20 ? -2.979 -6.279 1.340 1.00 0.00 ? 20 LEU A HD22 21 ATOM 28705 H HD23 . LEU A 1 20 ? -3.413 -6.117 -0.362 1.00 0.00 ? 20 LEU A HD23 21 ATOM 28706 N N . GLN A 1 21 ? -1.791 -0.747 2.872 1.00 0.00 ? 21 GLN A N 21 ATOM 28707 C CA . GLN A 1 21 ? -1.017 0.477 3.018 1.00 0.00 ? 21 GLN A CA 21 ATOM 28708 C C . GLN A 1 21 ? -0.002 0.339 4.146 1.00 0.00 ? 21 GLN A C 21 ATOM 28709 O O . GLN A 1 21 ? 1.157 0.728 4.003 1.00 0.00 ? 21 GLN A O 21 ATOM 28710 C CB . GLN A 1 21 ? -1.943 1.664 3.291 1.00 0.00 ? 21 GLN A CB 21 ATOM 28711 C CG . GLN A 1 21 ? -1.233 3.007 3.269 1.00 0.00 ? 21 GLN A CG 21 ATOM 28712 C CD . GLN A 1 21 ? -1.801 3.951 2.227 1.00 0.00 ? 21 GLN A CD 21 ATOM 28713 O OE1 . GLN A 1 21 ? -1.061 4.562 1.457 1.00 0.00 ? 21 GLN A OE1 21 ATOM 28714 N NE2 . GLN A 1 21 ? -3.123 4.073 2.198 1.00 0.00 ? 21 GLN A NE2 21 ATOM 28715 H H . GLN A 1 21 ? -2.759 -0.722 3.030 1.00 0.00 ? 21 GLN A H 21 ATOM 28716 H HA . GLN A 1 21 ? -0.489 0.649 2.091 1.00 0.00 ? 21 GLN A HA 21 ATOM 28717 H HB2 . GLN A 1 21 ? -2.720 1.679 2.541 1.00 0.00 ? 21 GLN A HB2 21 ATOM 28718 H HB3 . GLN A 1 21 ? -2.395 1.536 4.263 1.00 0.00 ? 21 GLN A HB3 21 ATOM 28719 H HG2 . GLN A 1 21 ? -1.332 3.469 4.240 1.00 0.00 ? 21 GLN A HG2 21 ATOM 28720 H HG3 . GLN A 1 21 ? -0.187 2.844 3.054 1.00 0.00 ? 21 GLN A HG3 21 ATOM 28721 H HE21 . GLN A 1 21 ? -3.650 3.555 2.841 1.00 0.00 ? 21 GLN A HE21 21 ATOM 28722 H HE22 . GLN A 1 21 ? -3.518 4.676 1.534 1.00 0.00 ? 21 GLN A HE22 21 ATOM 28723 N N . LYS A 1 22 ? -0.441 -0.224 5.267 1.00 0.00 ? 22 LYS A N 21 ATOM 28724 C CA . LYS A 1 22 ? 0.438 -0.417 6.414 1.00 0.00 ? 22 LYS A CA 21 ATOM 28725 C C . LYS A 1 22 ? 1.639 -1.276 6.031 1.00 0.00 ? 22 LYS A C 21 ATOM 28726 O O . LYS A 1 22 ? 2.781 -0.949 6.357 1.00 0.00 ? 22 LYS A O 21 ATOM 28727 C CB . LYS A 1 22 ? -0.327 -1.071 7.565 1.00 0.00 ? 22 LYS A CB 21 ATOM 28728 C CG . LYS A 1 22 ? -0.746 -0.094 8.652 1.00 0.00 ? 22 LYS A CG 21 ATOM 28729 C CD . LYS A 1 22 ? -2.027 -0.538 9.337 1.00 0.00 ? 22 LYS A CD 21 ATOM 28730 C CE . LYS A 1 22 ? -1.898 -1.941 9.906 1.00 0.00 ? 22 LYS A CE 21 ATOM 28731 N NZ . LYS A 1 22 ? -1.143 -1.953 11.189 1.00 0.00 ? 22 LYS A NZ 21 ATOM 28732 H H . LYS A 1 22 ? -1.375 -0.519 5.323 1.00 0.00 ? 22 LYS A H 21 ATOM 28733 H HA . LYS A 1 22 ? 0.789 0.554 6.731 1.00 0.00 ? 22 LYS A HA 21 ATOM 28734 H HB2 . LYS A 1 22 ? -1.217 -1.541 7.171 1.00 0.00 ? 22 LYS A HB2 21 ATOM 28735 H HB3 . LYS A 1 22 ? 0.299 -1.828 8.014 1.00 0.00 ? 22 LYS A HB3 21 ATOM 28736 H HG2 . LYS A 1 22 ? 0.042 -0.032 9.388 1.00 0.00 ? 22 LYS A HG2 21 ATOM 28737 H HG3 . LYS A 1 22 ? -0.902 0.877 8.207 1.00 0.00 ? 22 LYS A HG3 21 ATOM 28738 H HD2 . LYS A 1 22 ? -2.250 0.147 10.141 1.00 0.00 ? 22 LYS A HD2 21 ATOM 28739 H HD3 . LYS A 1 22 ? -2.833 -0.524 8.617 1.00 0.00 ? 22 LYS A HD3 21 ATOM 28740 H HE2 . LYS A 1 22 ? -2.887 -2.339 10.078 1.00 0.00 ? 22 LYS A HE2 21 ATOM 28741 H HE3 . LYS A 1 22 ? -1.381 -2.561 9.188 1.00 0.00 ? 22 LYS A HE3 21 ATOM 28742 H HZ1 . LYS A 1 22 ? -0.489 -1.144 11.227 1.00 0.00 ? 22 LYS A HZ1 21 ATOM 28743 H HZ2 . LYS A 1 22 ? -1.801 -1.890 11.992 1.00 0.00 ? 22 LYS A HZ2 21 ATOM 28744 H HZ3 . LYS A 1 22 ? -0.594 -2.832 11.274 1.00 0.00 ? 22 LYS A HZ3 21 ATOM 28745 N N . GLU A 1 23 ? 1.372 -2.376 5.334 1.00 0.00 ? 23 GLU A N 21 ATOM 28746 C CA . GLU A 1 23 ? 2.428 -3.283 4.903 1.00 0.00 ? 23 GLU A CA 21 ATOM 28747 C C . GLU A 1 23 ? 3.459 -2.555 4.045 1.00 0.00 ? 23 GLU A C 21 ATOM 28748 O O . GLU A 1 23 ? 4.667 -2.739 4.214 1.00 0.00 ? 23 GLU A O 21 ATOM 28749 C CB . GLU A 1 23 ? 1.834 -4.455 4.120 1.00 0.00 ? 23 GLU A CB 21 ATOM 28750 C CG . GLU A 1 23 ? 2.540 -5.778 4.376 1.00 0.00 ? 23 GLU A CG 21 ATOM 28751 C CD . GLU A 1 23 ? 1.612 -6.969 4.243 1.00 0.00 ? 23 GLU A CD 21 ATOM 28752 O OE1 . GLU A 1 23 ? 0.901 -7.056 3.219 1.00 0.00 ? 23 GLU A OE1 21 ATOM 28753 O OE2 . GLU A 1 23 ? 1.597 -7.815 5.161 1.00 0.00 ? 23 GLU A OE2 21 ATOM 28754 H H . GLU A 1 23 ? 0.439 -2.581 5.103 1.00 0.00 ? 23 GLU A H 21 ATOM 28755 H HA . GLU A 1 23 ? 2.919 -3.664 5.786 1.00 0.00 ? 23 GLU A HA 21 ATOM 28756 H HB2 . GLU A 1 23 ? 0.796 -4.568 4.396 1.00 0.00 ? 23 GLU A HB2 21 ATOM 28757 H HB3 . GLU A 1 23 ? 1.895 -4.237 3.065 1.00 0.00 ? 23 GLU A HB3 21 ATOM 28758 H HG2 . GLU A 1 23 ? 3.343 -5.885 3.661 1.00 0.00 ? 23 GLU A HG2 21 ATOM 28759 H HG3 . GLU A 1 23 ? 2.947 -5.766 5.376 1.00 0.00 ? 23 GLU A HG3 21 ATOM 28760 N N . ILE A 1 24 ? 2.978 -1.724 3.123 1.00 0.00 ? 24 ILE A N 21 ATOM 28761 C CA . ILE A 1 24 ? 3.870 -0.973 2.246 1.00 0.00 ? 24 ILE A CA 21 ATOM 28762 C C . ILE A 1 24 ? 4.733 -0.014 3.067 1.00 0.00 ? 24 ILE A C 21 ATOM 28763 O O . ILE A 1 24 ? 5.873 0.277 2.709 1.00 0.00 ? 24 ILE A O 21 ATOM 28764 C CB . ILE A 1 24 ? 3.094 -0.210 1.126 1.00 0.00 ? 24 ILE A CB 21 ATOM 28765 C CG1 . ILE A 1 24 ? 2.701 1.216 1.541 1.00 0.00 ? 24 ILE A CG1 21 ATOM 28766 C CG2 . ILE A 1 24 ? 1.853 -0.985 0.713 1.00 0.00 ? 24 ILE A CG2 21 ATOM 28767 C CD1 . ILE A 1 24 ? 3.614 2.273 0.960 1.00 0.00 ? 24 ILE A CD1 21 ATOM 28768 H H . ILE A 1 24 ? 2.010 -1.614 3.036 1.00 0.00 ? 24 ILE A H 21 ATOM 28769 H HA . ILE A 1 24 ? 4.524 -1.689 1.765 1.00 0.00 ? 24 ILE A HA 21 ATOM 28770 H HB . ILE A 1 24 ? 3.741 -0.153 0.263 1.00 0.00 ? 24 ILE A HB 21 ATOM 28771 H HG12 . ILE A 1 24 ? 1.698 1.421 1.201 1.00 0.00 ? 24 ILE A HG12 21 ATOM 28772 H HG13 . ILE A 1 24 ? 2.737 1.298 2.616 1.00 0.00 ? 24 ILE A HG13 21 ATOM 28773 H HG21 . ILE A 1 24 ? 1.903 -1.985 1.116 1.00 0.00 ? 24 ILE A HG21 21 ATOM 28774 H HG22 . ILE A 1 24 ? 0.974 -0.487 1.095 1.00 0.00 ? 24 ILE A HG22 21 ATOM 28775 H HG23 . ILE A 1 24 ? 1.801 -1.032 -0.362 1.00 0.00 ? 24 ILE A HG23 21 ATOM 28776 H HD11 . ILE A 1 24 ? 4.309 1.809 0.275 1.00 0.00 ? 24 ILE A HD11 21 ATOM 28777 H HD12 . ILE A 1 24 ? 3.024 3.008 0.434 1.00 0.00 ? 24 ILE A HD12 21 ATOM 28778 H HD13 . ILE A 1 24 ? 4.162 2.754 1.758 1.00 0.00 ? 24 ILE A HD13 21 ATOM 28779 N N . GLU A 1 25 ? 4.173 0.463 4.177 1.00 0.00 ? 25 GLU A N 21 ATOM 28780 C CA . GLU A 1 25 ? 4.882 1.377 5.060 1.00 0.00 ? 25 GLU A CA 21 ATOM 28781 C C . GLU A 1 25 ? 6.130 0.707 5.615 1.00 0.00 ? 25 GLU A C 21 ATOM 28782 O O . GLU A 1 25 ? 7.212 1.292 5.621 1.00 0.00 ? 25 GLU A O 21 ATOM 28783 C CB . GLU A 1 25 ? 3.974 1.827 6.205 1.00 0.00 ? 25 GLU A CB 21 ATOM 28784 C CG . GLU A 1 25 ? 4.516 3.015 6.982 1.00 0.00 ? 25 GLU A CG 21 ATOM 28785 C CD . GLU A 1 25 ? 3.443 3.728 7.780 1.00 0.00 ? 25 GLU A CD 21 ATOM 28786 O OE1 . GLU A 1 25 ? 2.261 3.343 7.662 1.00 0.00 ? 25 GLU A OE1 21 ATOM 28787 O OE2 . GLU A 1 25 ? 3.785 4.674 8.522 1.00 0.00 ? 25 GLU A OE2 21 ATOM 28788 H H . GLU A 1 25 ? 3.262 0.186 4.409 1.00 0.00 ? 25 GLU A H 21 ATOM 28789 H HA . GLU A 1 25 ? 5.175 2.240 4.481 1.00 0.00 ? 25 GLU A HA 21 ATOM 28790 H HB2 . GLU A 1 25 ? 3.010 2.099 5.800 1.00 0.00 ? 25 GLU A HB2 21 ATOM 28791 H HB3 . GLU A 1 25 ? 3.845 1.003 6.892 1.00 0.00 ? 25 GLU A HB3 21 ATOM 28792 H HG2 . GLU A 1 25 ? 5.278 2.665 7.664 1.00 0.00 ? 25 GLU A HG2 21 ATOM 28793 H HG3 . GLU A 1 25 ? 4.952 3.715 6.285 1.00 0.00 ? 25 GLU A HG3 21 ATOM 28794 N N . ARG A 1 26 ? 5.973 -0.533 6.070 1.00 0.00 ? 26 ARG A N 21 ATOM 28795 C CA . ARG A 1 26 ? 7.093 -1.290 6.612 1.00 0.00 ? 26 ARG A CA 21 ATOM 28796 C C . ARG A 1 26 ? 8.204 -1.394 5.575 1.00 0.00 ? 26 ARG A C 21 ATOM 28797 O O . ARG A 1 26 ? 9.370 -1.121 5.865 1.00 0.00 ? 26 ARG A O 21 ATOM 28798 C CB . ARG A 1 26 ? 6.637 -2.687 7.038 1.00 0.00 ? 26 ARG A CB 21 ATOM 28799 C CG . ARG A 1 26 ? 7.636 -3.405 7.932 1.00 0.00 ? 26 ARG A CG 21 ATOM 28800 C CD . ARG A 1 26 ? 7.378 -4.903 7.963 1.00 0.00 ? 26 ARG A CD 21 ATOM 28801 N NE . ARG A 1 26 ? 6.915 -5.351 9.273 1.00 0.00 ? 26 ARG A NE 21 ATOM 28802 C CZ . ARG A 1 26 ? 7.726 -5.580 10.302 1.00 0.00 ? 26 ARG A CZ 21 ATOM 28803 N NH1 . ARG A 1 26 ? 9.034 -5.404 10.170 1.00 0.00 ? 26 ARG A NH1 21 ATOM 28804 N NH2 . ARG A 1 26 ? 7.229 -5.985 11.463 1.00 0.00 ? 26 ARG A NH2 21 ATOM 28805 H H . ARG A 1 26 ? 5.086 -0.950 6.029 1.00 0.00 ? 26 ARG A H 21 ATOM 28806 H HA . ARG A 1 26 ? 7.467 -0.759 7.475 1.00 0.00 ? 26 ARG A HA 21 ATOM 28807 H HB2 . ARG A 1 26 ? 5.704 -2.601 7.574 1.00 0.00 ? 26 ARG A HB2 21 ATOM 28808 H HB3 . ARG A 1 26 ? 6.482 -3.287 6.154 1.00 0.00 ? 26 ARG A HB3 21 ATOM 28809 H HG2 . ARG A 1 26 ? 8.632 -3.229 7.556 1.00 0.00 ? 26 ARG A HG2 21 ATOM 28810 H HG3 . ARG A 1 26 ? 7.552 -3.013 8.935 1.00 0.00 ? 26 ARG A HG3 21 ATOM 28811 H HD2 . ARG A 1 26 ? 6.626 -5.141 7.226 1.00 0.00 ? 26 ARG A HD2 21 ATOM 28812 H HD3 . ARG A 1 26 ? 8.296 -5.417 7.720 1.00 0.00 ? 26 ARG A HD3 21 ATOM 28813 H HE . ARG A 1 26 ? 5.952 -5.488 9.393 1.00 0.00 ? 26 ARG A HE 21 ATOM 28814 H HH11 . ARG A 1 26 ? 9.411 -5.098 9.296 1.00 0.00 ? 26 ARG A HH11 21 ATOM 28815 H HH12 . ARG A 1 26 ? 9.642 -5.576 10.945 1.00 0.00 ? 26 ARG A HH12 21 ATOM 28816 H HH21 . ARG A 1 26 ? 6.244 -6.119 11.565 1.00 0.00 ? 26 ARG A HH21 21 ATOM 28817 H HH22 . ARG A 1 26 ? 7.840 -6.157 12.235 1.00 0.00 ? 26 ARG A HH22 21 ATOM 28818 N N . HIS A 1 27 ? 7.831 -1.780 4.357 1.00 0.00 ? 27 HIS A N 21 ATOM 28819 C CA . HIS A 1 27 ? 8.793 -1.905 3.271 1.00 0.00 ? 27 HIS A CA 21 ATOM 28820 C C . HIS A 1 27 ? 9.395 -0.545 2.927 1.00 0.00 ? 27 HIS A C 21 ATOM 28821 O O . HIS A 1 27 ? 10.487 -0.462 2.365 1.00 0.00 ? 27 HIS A O 21 ATOM 28822 C CB . HIS A 1 27 ? 8.125 -2.509 2.035 1.00 0.00 ? 27 HIS A CB 21 ATOM 28823 C CG . HIS A 1 27 ? 8.681 -3.844 1.647 1.00 0.00 ? 27 HIS A CG 21 ATOM 28824 N ND1 . HIS A 1 27 ? 9.956 -4.013 1.148 1.00 0.00 ? 27 HIS A ND1 21 ATOM 28825 C CD2 . HIS A 1 27 ? 8.127 -5.079 1.686 1.00 0.00 ? 27 HIS A CD2 21 ATOM 28826 C CE1 . HIS A 1 27 ? 10.162 -5.294 0.897 1.00 0.00 ? 27 HIS A CE1 21 ATOM 28827 N NE2 . HIS A 1 27 ? 9.069 -5.961 1.215 1.00 0.00 ? 27 HIS A NE2 21 ATOM 28828 H H . HIS A 1 27 ? 6.883 -1.974 4.183 1.00 0.00 ? 27 HIS A H 21 ATOM 28829 H HA . HIS A 1 27 ? 9.583 -2.562 3.601 1.00 0.00 ? 27 HIS A HA 21 ATOM 28830 H HB2 . HIS A 1 27 ? 7.070 -2.632 2.228 1.00 0.00 ? 27 HIS A HB2 21 ATOM 28831 H HB3 . HIS A 1 27 ? 8.257 -1.837 1.199 1.00 0.00 ? 27 HIS A HB3 21 ATOM 28832 H HD1 . HIS A 1 27 ? 10.612 -3.301 1.000 1.00 0.00 ? 27 HIS A HD1 21 ATOM 28833 H HD2 . HIS A 1 27 ? 7.131 -5.325 2.025 1.00 0.00 ? 27 HIS A HD2 21 ATOM 28834 H HE1 . HIS A 1 27 ? 11.070 -5.722 0.500 1.00 0.00 ? 27 HIS A HE1 21 ATOM 28835 H HE2 . HIS A 1 27 ? 8.951 -6.930 1.128 1.00 0.00 ? 27 HIS A HE2 21 ATOM 28836 N N . LYS A 1 28 ? 8.675 0.522 3.271 1.00 0.00 ? 28 LYS A N 21 ATOM 28837 C CA . LYS A 1 28 ? 9.135 1.878 3.001 1.00 0.00 ? 28 LYS A CA 21 ATOM 28838 C C . LYS A 1 28 ? 10.197 2.302 4.009 1.00 0.00 ? 28 LYS A C 21 ATOM 28839 O O . LYS A 1 28 ? 11.081 3.097 3.696 1.00 0.00 ? 28 LYS A O 21 ATOM 28840 C CB . LYS A 1 28 ? 7.960 2.856 3.045 1.00 0.00 ? 28 LYS A CB 21 ATOM 28841 C CG . LYS A 1 28 ? 8.286 4.226 2.474 1.00 0.00 ? 28 LYS A CG 21 ATOM 28842 C CD . LYS A 1 28 ? 8.793 5.172 3.550 1.00 0.00 ? 28 LYS A CD 21 ATOM 28843 C CE . LYS A 1 28 ? 7.747 5.398 4.630 1.00 0.00 ? 28 LYS A CE 21 ATOM 28844 N NZ . LYS A 1 28 ? 7.317 6.823 4.697 1.00 0.00 ? 28 LYS A NZ 21 ATOM 28845 H H . LYS A 1 28 ? 7.812 0.393 3.717 1.00 0.00 ? 28 LYS A H 21 ATOM 28846 H HA . LYS A 1 28 ? 9.570 1.890 2.013 1.00 0.00 ? 28 LYS A HA 21 ATOM 28847 H HB2 . LYS A 1 28 ? 7.138 2.440 2.480 1.00 0.00 ? 28 LYS A HB2 21 ATOM 28848 H HB3 . LYS A 1 28 ? 7.651 2.982 4.071 1.00 0.00 ? 28 LYS A HB3 21 ATOM 28849 H HG2 . LYS A 1 28 ? 9.047 4.118 1.716 1.00 0.00 ? 28 LYS A HG2 21 ATOM 28850 H HG3 . LYS A 1 28 ? 7.392 4.644 2.032 1.00 0.00 ? 28 LYS A HG3 21 ATOM 28851 H HD2 . LYS A 1 28 ? 9.676 4.747 4.002 1.00 0.00 ? 28 LYS A HD2 21 ATOM 28852 H HD3 . LYS A 1 28 ? 9.040 6.121 3.096 1.00 0.00 ? 28 LYS A HD3 21 ATOM 28853 H HE2 . LYS A 1 28 ? 6.886 4.783 4.415 1.00 0.00 ? 28 LYS A HE2 21 ATOM 28854 H HE3 . LYS A 1 28 ? 8.164 5.111 5.584 1.00 0.00 ? 28 LYS A HE3 21 ATOM 28855 H HZ1 . LYS A 1 28 ? 7.411 7.269 3.762 1.00 0.00 ? 28 LYS A HZ1 21 ATOM 28856 H HZ2 . LYS A 1 28 ? 6.325 6.883 5.000 1.00 0.00 ? 28 LYS A HZ2 21 ATOM 28857 H HZ3 . LYS A 1 28 ? 7.907 7.342 5.378 1.00 0.00 ? 28 LYS A HZ3 21 ATOM 28858 N N . GLN A 1 29 ? 10.104 1.764 5.220 1.00 0.00 ? 29 GLN A N 21 ATOM 28859 C CA . GLN A 1 29 ? 11.058 2.087 6.273 1.00 0.00 ? 29 GLN A CA 21 ATOM 28860 C C . GLN A 1 29 ? 12.391 1.395 6.015 1.00 0.00 ? 29 GLN A C 21 ATOM 28861 O O . GLN A 1 29 ? 13.454 1.955 6.281 1.00 0.00 ? 29 GLN A O 21 ATOM 28862 C CB . GLN A 1 29 ? 10.507 1.672 7.638 1.00 0.00 ? 29 GLN A CB 21 ATOM 28863 C CG . GLN A 1 29 ? 11.493 1.870 8.777 1.00 0.00 ? 29 GLN A CG 21 ATOM 28864 C CD . GLN A 1 29 ? 11.878 0.566 9.448 1.00 0.00 ? 29 GLN A CD 21 ATOM 28865 O OE1 . GLN A 1 29 ? 12.531 -0.286 8.845 1.00 0.00 ? 29 GLN A OE1 21 ATOM 28866 N NE2 . GLN A 1 29 ? 11.475 0.404 10.702 1.00 0.00 ? 29 GLN A NE2 21 ATOM 28867 H H . GLN A 1 29 ? 9.377 1.134 5.410 1.00 0.00 ? 29 GLN A H 21 ATOM 28868 H HA . GLN A 1 29 ? 11.212 3.155 6.264 1.00 0.00 ? 29 GLN A HA 21 ATOM 28869 H HB2 . GLN A 1 29 ? 9.624 2.256 7.849 1.00 0.00 ? 29 GLN A HB2 21 ATOM 28870 H HB3 . GLN A 1 29 ? 10.237 0.627 7.602 1.00 0.00 ? 29 GLN A HB3 21 ATOM 28871 H HG2 . GLN A 1 29 ? 12.387 2.334 8.386 1.00 0.00 ? 29 GLN A HG2 21 ATOM 28872 H HG3 . GLN A 1 29 ? 11.045 2.519 9.515 1.00 0.00 ? 29 GLN A HG3 21 ATOM 28873 H HE21 . GLN A 1 29 ? 10.959 1.125 11.119 1.00 0.00 ? 29 GLN A HE21 21 ATOM 28874 H HE22 . GLN A 1 29 ? 11.711 -0.430 11.160 1.00 0.00 ? 29 GLN A HE22 21 ATOM 28875 N N . SER A 1 30 ? 12.324 0.176 5.494 1.00 0.00 ? 30 SER A N 21 ATOM 28876 C CA . SER A 1 30 ? 13.526 -0.592 5.197 1.00 0.00 ? 30 SER A CA 21 ATOM 28877 C C . SER A 1 30 ? 14.231 -0.043 3.961 1.00 0.00 ? 30 SER A C 21 ATOM 28878 O O . SER A 1 30 ? 15.455 0.079 3.936 1.00 0.00 ? 30 SER A O 21 ATOM 28879 C CB . SER A 1 30 ? 13.178 -2.067 4.989 1.00 0.00 ? 30 SER A CB 21 ATOM 28880 O OG . SER A 1 30 ? 13.104 -2.753 6.226 1.00 0.00 ? 30 SER A OG 21 ATOM 28881 H H . SER A 1 30 ? 11.446 -0.217 5.302 1.00 0.00 ? 30 SER A H 21 ATOM 28882 H HA . SER A 1 30 ? 14.192 -0.504 6.042 1.00 0.00 ? 30 SER A HA 21 ATOM 28883 H HB2 . SER A 1 30 ? 12.222 -2.142 4.492 1.00 0.00 ? 30 SER A HB2 21 ATOM 28884 H HB3 . SER A 1 30 ? 13.938 -2.531 4.378 1.00 0.00 ? 30 SER A HB3 21 ATOM 28885 H HG . SER A 1 30 ? 12.271 -3.228 6.280 1.00 0.00 ? 30 SER A HG 21 ATOM 28886 N N . ILE A 1 31 ? 13.451 0.288 2.935 1.00 0.00 ? 31 ILE A N 21 ATOM 28887 C CA . ILE A 1 31 ? 14.007 0.825 1.701 1.00 0.00 ? 31 ILE A CA 21 ATOM 28888 C C . ILE A 1 31 ? 14.400 2.291 1.864 1.00 0.00 ? 31 ILE A C 21 ATOM 28889 O O . ILE A 1 31 ? 15.232 2.806 1.117 1.00 0.00 ? 31 ILE A O 21 ATOM 28890 C CB . ILE A 1 31 ? 13.011 0.680 0.535 1.00 0.00 ? 31 ILE A CB 21 ATOM 28891 C CG1 . ILE A 1 31 ? 13.729 0.933 -0.810 1.00 0.00 ? 31 ILE A CG1 21 ATOM 28892 C CG2 . ILE A 1 31 ? 11.804 1.594 0.741 1.00 0.00 ? 31 ILE A CG2 21 ATOM 28893 C CD1 . ILE A 1 31 ? 13.420 2.262 -1.479 1.00 0.00 ? 31 ILE A CD1 21 ATOM 28894 H H . ILE A 1 31 ? 12.479 0.171 3.011 1.00 0.00 ? 31 ILE A H 21 ATOM 28895 H HA . ILE A 1 31 ? 14.892 0.253 1.462 1.00 0.00 ? 31 ILE A HA 21 ATOM 28896 H HB . ILE A 1 31 ? 12.651 -0.336 0.544 1.00 0.00 ? 31 ILE A HB 21 ATOM 28897 H HG12 . ILE A 1 31 ? 14.794 0.895 -0.647 1.00 0.00 ? 31 ILE A HG12 21 ATOM 28898 H HG13 . ILE A 1 31 ? 13.455 0.148 -1.499 1.00 0.00 ? 31 ILE A HG13 21 ATOM 28899 H HG21 . ILE A 1 31 ? 11.467 1.518 1.765 1.00 0.00 ? 31 ILE A HG21 21 ATOM 28900 H HG22 . ILE A 1 31 ? 12.085 2.615 0.529 1.00 0.00 ? 31 ILE A HG22 21 ATOM 28901 H HG23 . ILE A 1 31 ? 11.007 1.294 0.077 1.00 0.00 ? 31 ILE A HG23 21 ATOM 28902 H HD11 . ILE A 1 31 ? 13.500 3.057 -0.753 1.00 0.00 ? 31 ILE A HD11 21 ATOM 28903 H HD12 . ILE A 1 31 ? 14.122 2.432 -2.281 1.00 0.00 ? 31 ILE A HD12 21 ATOM 28904 H HD13 . ILE A 1 31 ? 12.416 2.238 -1.878 1.00 0.00 ? 31 ILE A HD13 21 ATOM 28905 N N . LYS A 1 32 ? 13.806 2.955 2.851 1.00 0.00 ? 32 LYS A N 21 ATOM 28906 C CA . LYS A 1 32 ? 14.104 4.356 3.115 1.00 0.00 ? 32 LYS A CA 21 ATOM 28907 C C . LYS A 1 32 ? 15.353 4.479 3.980 1.00 0.00 ? 32 LYS A C 21 ATOM 28908 O O . LYS A 1 32 ? 16.080 5.469 3.904 1.00 0.00 ? 32 LYS A O 21 ATOM 28909 C CB . LYS A 1 32 ? 12.921 5.034 3.806 1.00 0.00 ? 32 LYS A CB 21 ATOM 28910 C CG . LYS A 1 32 ? 13.180 6.487 4.173 1.00 0.00 ? 32 LYS A CG 21 ATOM 28911 C CD . LYS A 1 32 ? 12.454 6.878 5.449 1.00 0.00 ? 32 LYS A CD 21 ATOM 28912 C CE . LYS A 1 32 ? 10.948 6.738 5.298 1.00 0.00 ? 32 LYS A CE 21 ATOM 28913 N NZ . LYS A 1 32 ? 10.226 7.944 5.786 1.00 0.00 ? 32 LYS A NZ 21 ATOM 28914 H H . LYS A 1 32 ? 13.157 2.490 3.419 1.00 0.00 ? 32 LYS A H 21 ATOM 28915 H HA . LYS A 1 32 ? 14.287 4.842 2.168 1.00 0.00 ? 32 LYS A HA 21 ATOM 28916 H HB2 . LYS A 1 32 ? 12.065 4.999 3.148 1.00 0.00 ? 32 LYS A HB2 21 ATOM 28917 H HB3 . LYS A 1 32 ? 12.690 4.494 4.713 1.00 0.00 ? 32 LYS A HB3 21 ATOM 28918 H HG2 . LYS A 1 32 ? 14.242 6.627 4.316 1.00 0.00 ? 32 LYS A HG2 21 ATOM 28919 H HG3 . LYS A 1 32 ? 12.838 7.117 3.365 1.00 0.00 ? 32 LYS A HG3 21 ATOM 28920 H HD2 . LYS A 1 32 ? 12.787 6.238 6.252 1.00 0.00 ? 32 LYS A HD2 21 ATOM 28921 H HD3 . LYS A 1 32 ? 12.689 7.906 5.684 1.00 0.00 ? 32 LYS A HD3 21 ATOM 28922 H HE2 . LYS A 1 32 ? 10.716 6.588 4.255 1.00 0.00 ? 32 LYS A HE2 21 ATOM 28923 H HE3 . LYS A 1 32 ? 10.621 5.878 5.865 1.00 0.00 ? 32 LYS A HE3 21 ATOM 28924 H HZ1 . LYS A 1 32 ? 10.904 8.696 6.024 1.00 0.00 ? 32 LYS A HZ1 21 ATOM 28925 H HZ2 . LYS A 1 32 ? 9.579 8.297 5.051 1.00 0.00 ? 32 LYS A HZ2 21 ATOM 28926 H HZ3 . LYS A 1 32 ? 9.672 7.711 6.636 1.00 0.00 ? 32 LYS A HZ3 21 ATOM 28927 N N . LYS A 1 33 ? 15.599 3.459 4.799 1.00 0.00 ? 33 LYS A N 21 ATOM 28928 C CA . LYS A 1 33 ? 16.763 3.447 5.675 1.00 0.00 ? 33 LYS A CA 21 ATOM 28929 C C . LYS A 1 33 ? 18.024 3.121 4.883 1.00 0.00 ? 33 LYS A C 21 ATOM 28930 O O . LYS A 1 33 ? 19.085 3.700 5.119 1.00 0.00 ? 33 LYS A O 21 ATOM 28931 C CB . LYS A 1 33 ? 16.573 2.428 6.799 1.00 0.00 ? 33 LYS A CB 21 ATOM 28932 C CG . LYS A 1 33 ? 15.825 2.982 8.001 1.00 0.00 ? 33 LYS A CG 21 ATOM 28933 C CD . LYS A 1 33 ? 16.780 3.397 9.109 1.00 0.00 ? 33 LYS A CD 21 ATOM 28934 C CE . LYS A 1 33 ? 17.646 2.233 9.562 1.00 0.00 ? 33 LYS A CE 21 ATOM 28935 N NZ . LYS A 1 33 ? 17.895 2.264 11.030 1.00 0.00 ? 33 LYS A NZ 21 ATOM 28936 H H . LYS A 1 33 ? 14.984 2.696 4.810 1.00 0.00 ? 33 LYS A H 21 ATOM 28937 H HA . LYS A 1 33 ? 16.866 4.433 6.105 1.00 0.00 ? 33 LYS A HA 21 ATOM 28938 H HB2 . LYS A 1 33 ? 16.018 1.584 6.415 1.00 0.00 ? 33 LYS A HB2 21 ATOM 28939 H HB3 . LYS A 1 33 ? 17.543 2.089 7.130 1.00 0.00 ? 33 LYS A HB3 21 ATOM 28940 H HG2 . LYS A 1 33 ? 15.253 3.844 7.692 1.00 0.00 ? 33 LYS A HG2 21 ATOM 28941 H HG3 . LYS A 1 33 ? 15.158 2.222 8.380 1.00 0.00 ? 33 LYS A HG3 21 ATOM 28942 H HD2 . LYS A 1 33 ? 17.420 4.187 8.742 1.00 0.00 ? 33 LYS A HD2 21 ATOM 28943 H HD3 . LYS A 1 33 ? 16.206 3.757 9.950 1.00 0.00 ? 33 LYS A HD3 21 ATOM 28944 H HE2 . LYS A 1 33 ? 17.147 1.309 9.310 1.00 0.00 ? 33 LYS A HE2 21 ATOM 28945 H HE3 . LYS A 1 33 ? 18.593 2.282 9.044 1.00 0.00 ? 33 LYS A HE3 21 ATOM 28946 H HZ1 . LYS A 1 33 ? 17.680 3.209 11.408 1.00 0.00 ? 33 LYS A HZ1 21 ATOM 28947 H HZ2 . LYS A 1 33 ? 17.292 1.566 11.509 1.00 0.00 ? 33 LYS A HZ2 21 ATOM 28948 H HZ3 . LYS A 1 33 ? 18.891 2.041 11.228 1.00 0.00 ? 33 LYS A HZ3 21 ATOM 28949 N N . LEU A 1 34 ? 17.900 2.194 3.938 1.00 0.00 ? 34 LEU A N 21 ATOM 28950 C CA . LEU A 1 34 ? 19.028 1.794 3.108 1.00 0.00 ? 34 LEU A CA 21 ATOM 28951 C C . LEU A 1 34 ? 19.332 2.864 2.064 1.00 0.00 ? 34 LEU A C 21 ATOM 28952 O O . LEU A 1 34 ? 20.492 3.122 1.743 1.00 0.00 ? 34 LEU A O 21 ATOM 28953 C CB . LEU A 1 34 ? 18.737 0.460 2.419 1.00 0.00 ? 34 LEU A CB 21 ATOM 28954 C CG . LEU A 1 34 ? 19.229 -0.778 3.173 1.00 0.00 ? 34 LEU A CG 21 ATOM 28955 C CD1 . LEU A 1 34 ? 18.409 -1.999 2.783 1.00 0.00 ? 34 LEU A CD1 21 ATOM 28956 C CD2 . LEU A 1 34 ? 20.706 -1.015 2.900 1.00 0.00 ? 34 LEU A CD2 21 ATOM 28957 H H . LEU A 1 34 ? 17.026 1.770 3.796 1.00 0.00 ? 34 LEU A H 21 ATOM 28958 H HA . LEU A 1 34 ? 19.889 1.680 3.750 1.00 0.00 ? 34 LEU A HA 21 ATOM 28959 H HB2 . LEU A 1 34 ? 17.669 0.374 2.285 1.00 0.00 ? 34 LEU A HB2 21 ATOM 28960 H HB3 . LEU A 1 34 ? 19.206 0.470 1.447 1.00 0.00 ? 34 LEU A HB3 21 ATOM 28961 H HG . LEU A 1 34 ? 19.105 -0.618 4.233 1.00 0.00 ? 34 LEU A HG 21 ATOM 28962 H HD11 . LEU A 1 34 ? 18.436 -2.124 1.710 1.00 0.00 ? 34 LEU A HD11 21 ATOM 28963 H HD12 . LEU A 1 34 ? 18.824 -2.876 3.257 1.00 0.00 ? 34 LEU A HD12 21 ATOM 28964 H HD13 . LEU A 1 34 ? 17.388 -1.865 3.105 1.00 0.00 ? 34 LEU A HD13 21 ATOM 28965 H HD21 . LEU A 1 34 ? 20.876 -1.040 1.833 1.00 0.00 ? 34 LEU A HD21 21 ATOM 28966 H HD22 . LEU A 1 34 ? 21.286 -0.217 3.338 1.00 0.00 ? 34 LEU A HD22 21 ATOM 28967 H HD23 . LEU A 1 34 ? 21.005 -1.958 3.333 1.00 0.00 ? 34 LEU A HD23 21 ATOM 28968 N N . LYS A 1 35 ? 18.280 3.485 1.541 1.00 0.00 ? 35 LYS A N 21 ATOM 28969 C CA . LYS A 1 35 ? 18.432 4.530 0.536 1.00 0.00 ? 35 LYS A CA 21 ATOM 28970 C C . LYS A 1 35 ? 18.868 5.841 1.181 1.00 0.00 ? 35 LYS A C 21 ATOM 28971 O O . LYS A 1 35 ? 19.495 6.683 0.539 1.00 0.00 ? 35 LYS A O 21 ATOM 28972 C CB . LYS A 1 35 ? 17.119 4.734 -0.223 1.00 0.00 ? 35 LYS A CB 21 ATOM 28973 C CG . LYS A 1 35 ? 17.224 5.732 -1.364 1.00 0.00 ? 35 LYS A CG 21 ATOM 28974 C CD . LYS A 1 35 ? 15.950 6.547 -1.509 1.00 0.00 ? 35 LYS A CD 21 ATOM 28975 C CE . LYS A 1 35 ? 16.029 7.849 -0.729 1.00 0.00 ? 35 LYS A CE 21 ATOM 28976 N NZ . LYS A 1 35 ? 14.728 8.572 -0.719 1.00 0.00 ? 35 LYS A NZ 21 ATOM 28977 H H . LYS A 1 35 ? 17.380 3.236 1.839 1.00 0.00 ? 35 LYS A H 21 ATOM 28978 H HA . LYS A 1 35 ? 19.195 4.213 -0.160 1.00 0.00 ? 35 LYS A HA 21 ATOM 28979 H HB2 . LYS A 1 35 ? 16.802 3.785 -0.630 1.00 0.00 ? 35 LYS A HB2 21 ATOM 28980 H HB3 . LYS A 1 35 ? 16.368 5.087 0.469 1.00 0.00 ? 35 LYS A HB3 21 ATOM 28981 H HG2 . LYS A 1 35 ? 18.047 6.401 -1.169 1.00 0.00 ? 35 LYS A HG2 21 ATOM 28982 H HG3 . LYS A 1 35 ? 17.404 5.195 -2.283 1.00 0.00 ? 35 LYS A HG3 21 ATOM 28983 H HD2 . LYS A 1 35 ? 15.796 6.775 -2.554 1.00 0.00 ? 35 LYS A HD2 21 ATOM 28984 H HD3 . LYS A 1 35 ? 15.117 5.966 -1.140 1.00 0.00 ? 35 LYS A HD3 21 ATOM 28985 H HE2 . LYS A 1 35 ? 16.315 7.627 0.290 1.00 0.00 ? 35 LYS A HE2 21 ATOM 28986 H HE3 . LYS A 1 35 ? 16.779 8.480 -1.182 1.00 0.00 ? 35 LYS A HE3 21 ATOM 28987 H HZ1 . LYS A 1 35 ? 14.188 8.348 -1.579 1.00 0.00 ? 35 LYS A HZ1 21 ATOM 28988 H HZ2 . LYS A 1 35 ? 14.168 8.289 0.111 1.00 0.00 ? 35 LYS A HZ2 21 ATOM 28989 H HZ3 . LYS A 1 35 ? 14.889 9.598 -0.680 1.00 0.00 ? 35 LYS A HZ3 21 ATOM 28990 N N . GLN A 1 36 ? 18.533 6.006 2.457 1.00 0.00 ? 36 GLN A N 21 ATOM 28991 C CA . GLN A 1 36 ? 18.892 7.212 3.192 1.00 0.00 ? 36 GLN A CA 21 ATOM 28992 C C . GLN A 1 36 ? 20.348 7.161 3.641 1.00 0.00 ? 36 GLN A C 21 ATOM 28993 O O . GLN A 1 36 ? 21.013 8.192 3.749 1.00 0.00 ? 36 GLN A O 21 ATOM 28994 C CB . GLN A 1 36 ? 17.976 7.388 4.405 1.00 0.00 ? 36 GLN A CB 21 ATOM 28995 C CG . GLN A 1 36 ? 18.344 8.578 5.276 1.00 0.00 ? 36 GLN A CG 21 ATOM 28996 C CD . GLN A 1 36 ? 17.243 9.620 5.332 1.00 0.00 ? 36 GLN A CD 21 ATOM 28997 O OE1 . GLN A 1 36 ? 16.059 9.288 5.377 1.00 0.00 ? 36 GLN A OE1 21 ATOM 28998 N NE2 . GLN A 1 36 ? 17.630 10.891 5.328 1.00 0.00 ? 36 GLN A NE2 21 ATOM 28999 H H . GLN A 1 36 ? 18.034 5.297 2.916 1.00 0.00 ? 36 GLN A H 21 ATOM 29000 H HA . GLN A 1 36 ? 18.762 8.055 2.529 1.00 0.00 ? 36 GLN A HA 21 ATOM 29001 H HB2 . GLN A 1 36 ? 16.962 7.520 4.060 1.00 0.00 ? 36 GLN A HB2 21 ATOM 29002 H HB3 . GLN A 1 36 ? 18.028 6.496 5.012 1.00 0.00 ? 36 GLN A HB3 21 ATOM 29003 H HG2 . GLN A 1 36 ? 18.537 8.228 6.280 1.00 0.00 ? 36 GLN A HG2 21 ATOM 29004 H HG3 . GLN A 1 36 ? 19.235 9.039 4.878 1.00 0.00 ? 36 GLN A HG3 21 ATOM 29005 H HE21 . GLN A 1 36 ? 18.592 11.081 5.290 1.00 0.00 ? 36 GLN A HE21 21 ATOM 29006 H HE22 . GLN A 1 36 ? 16.941 11.585 5.364 1.00 0.00 ? 36 GLN A HE22 21 ATOM 29007 N N . SER A 1 37 ? 20.839 5.952 3.903 1.00 0.00 ? 37 SER A N 21 ATOM 29008 C CA . SER A 1 37 ? 22.218 5.766 4.339 1.00 0.00 ? 37 SER A CA 21 ATOM 29009 C C . SER A 1 37 ? 23.186 5.966 3.178 1.00 0.00 ? 37 SER A C 21 ATOM 29010 O O . SER A 1 37 ? 24.349 6.317 3.380 1.00 0.00 ? 37 SER A O 21 ATOM 29011 C CB . SER A 1 37 ? 22.402 4.370 4.937 1.00 0.00 ? 37 SER A CB 21 ATOM 29012 O OG . SER A 1 37 ? 21.976 4.332 6.289 1.00 0.00 ? 37 SER A OG 21 ATOM 29013 H H . SER A 1 37 ? 20.260 5.169 3.798 1.00 0.00 ? 37 SER A H 21 ATOM 29014 H HA . SER A 1 37 ? 22.427 6.504 5.099 1.00 0.00 ? 37 SER A HA 21 ATOM 29015 H HB2 . SER A 1 37 ? 21.821 3.658 4.370 1.00 0.00 ? 37 SER A HB2 21 ATOM 29016 H HB3 . SER A 1 37 ? 23.447 4.098 4.894 1.00 0.00 ? 37 SER A HB3 21 ATOM 29017 H HG . SER A 1 37 ? 21.251 4.948 6.415 1.00 0.00 ? 37 SER A HG 21 ATOM 29018 N N . GLU A 1 38 ? 22.698 5.743 1.962 1.00 0.00 ? 38 GLU A N 21 ATOM 29019 C CA . GLU A 1 38 ? 23.520 5.899 0.768 1.00 0.00 ? 38 GLU A CA 21 ATOM 29020 C C . GLU A 1 38 ? 23.760 7.374 0.463 1.00 0.00 ? 38 GLU A C 21 ATOM 29021 O O . GLU A 1 38 ? 24.754 7.734 -0.170 1.00 0.00 ? 38 GLU A O 21 ATOM 29022 C CB . GLU A 1 38 ? 22.853 5.220 -0.429 1.00 0.00 ? 38 GLU A CB 21 ATOM 29023 C CG . GLU A 1 38 ? 23.792 4.992 -1.602 1.00 0.00 ? 38 GLU A CG 21 ATOM 29024 C CD . GLU A 1 38 ? 23.987 6.238 -2.443 1.00 0.00 ? 38 GLU A CD 21 ATOM 29025 O OE1 . GLU A 1 38 ? 23.035 7.041 -2.546 1.00 0.00 ? 38 GLU A OE1 21 ATOM 29026 O OE2 . GLU A 1 38 ? 25.092 6.413 -2.999 1.00 0.00 ? 38 GLU A OE2 21 ATOM 29027 H H . GLU A 1 38 ? 21.763 5.466 1.865 1.00 0.00 ? 38 GLU A H 21 ATOM 29028 H HA . GLU A 1 38 ? 24.471 5.424 0.956 1.00 0.00 ? 38 GLU A HA 21 ATOM 29029 H HB2 . GLU A 1 38 ? 22.465 4.263 -0.115 1.00 0.00 ? 38 GLU A HB2 21 ATOM 29030 H HB3 . GLU A 1 38 ? 22.033 5.837 -0.767 1.00 0.00 ? 38 GLU A HB3 21 ATOM 29031 H HG2 . GLU A 1 38 ? 24.753 4.681 -1.222 1.00 0.00 ? 38 GLU A HG2 21 ATOM 29032 H HG3 . GLU A 1 38 ? 23.384 4.213 -2.228 1.00 0.00 ? 38 GLU A HG3 21 ATOM 29033 N N . ASP A 1 39 ? 22.844 8.224 0.915 1.00 0.00 ? 39 ASP A N 21 ATOM 29034 C CA . ASP A 1 39 ? 22.956 9.660 0.690 1.00 0.00 ? 39 ASP A CA 21 ATOM 29035 C C . ASP A 1 39 ? 22.960 10.420 2.012 1.00 0.00 ? 39 ASP A C 21 ATOM 29036 O O . ASP A 1 39 ? 22.572 11.586 2.071 1.00 0.00 ? 39 ASP A O 21 ATOM 29037 C CB . ASP A 1 39 ? 21.804 10.151 -0.189 1.00 0.00 ? 39 ASP A CB 21 ATOM 29038 C CG . ASP A 1 39 ? 22.141 11.436 -0.920 1.00 0.00 ? 39 ASP A CG 21 ATOM 29039 O OD1 . ASP A 1 39 ? 22.163 12.501 -0.269 1.00 0.00 ? 39 ASP A OD1 21 ATOM 29040 O OD2 . ASP A 1 39 ? 22.384 11.376 -2.144 1.00 0.00 ? 39 ASP A OD2 21 ATOM 29041 H H . ASP A 1 39 ? 22.074 7.876 1.413 1.00 0.00 ? 39 ASP A H 21 ATOM 29042 H HA . ASP A 1 39 ? 23.889 9.844 0.179 1.00 0.00 ? 39 ASP A HA 21 ATOM 29043 H HB2 . ASP A 1 39 ? 21.570 9.393 -0.922 1.00 0.00 ? 39 ASP A HB2 21 ATOM 29044 H HB3 . ASP A 1 39 ? 20.937 10.328 0.431 1.00 0.00 ? 39 ASP A HB3 21 ATOM 29045 N N . ASP A 1 40 ? 23.404 9.751 3.071 1.00 0.00 ? 40 ASP A N 21 ATOM 29046 C CA . ASP A 1 40 ? 23.460 10.364 4.394 1.00 0.00 ? 40 ASP A CA 21 ATOM 29047 C C . ASP A 1 40 ? 24.660 11.296 4.511 1.00 0.00 ? 40 ASP A C 21 ATOM 29048 O O . ASP A 1 40 ? 25.548 11.291 3.659 1.00 0.00 ? 40 ASP A O 21 ATOM 29049 C CB . ASP A 1 40 ? 23.529 9.285 5.477 1.00 0.00 ? 40 ASP A CB 21 ATOM 29050 C CG . ASP A 1 40 ? 22.686 9.628 6.689 1.00 0.00 ? 40 ASP A CG 21 ATOM 29051 O OD1 . ASP A 1 40 ? 21.445 9.522 6.599 1.00 0.00 ? 40 ASP A OD1 21 ATOM 29052 O OD2 . ASP A 1 40 ? 23.267 10.003 7.729 1.00 0.00 ? 40 ASP A OD2 21 ATOM 29053 H H . ASP A 1 40 ? 23.701 8.824 2.962 1.00 0.00 ? 40 ASP A H 21 ATOM 29054 H HA . ASP A 1 40 ? 22.557 10.940 4.530 1.00 0.00 ? 40 ASP A HA 21 ATOM 29055 H HB2 . ASP A 1 40 ? 23.175 8.350 5.068 1.00 0.00 ? 40 ASP A HB2 21 ATOM 29056 H HB3 . ASP A 1 40 ? 24.555 9.169 5.795 1.00 0.00 ? 40 ASP A HB3 21 ATOM 29057 N N . ASP A 1 41 ? 24.681 12.096 5.572 1.00 0.00 ? 41 ASP A N 21 ATOM 29058 C CA . ASP A 1 41 ? 25.774 13.035 5.801 1.00 0.00 ? 41 ASP A CA 21 ATOM 29059 C C . ASP A 1 41 ? 26.650 12.578 6.963 1.00 0.00 ? 41 ASP A C 21 ATOM 29060 O O . ASP A 1 41 ? 27.829 12.245 6.719 1.00 0.00 ? 41 ASP A O 21 ATOM 29061 C CB . ASP A 1 41 ? 25.222 14.433 6.082 1.00 0.00 ? 41 ASP A CB 21 ATOM 29062 C CG . ASP A 1 41 ? 26.063 15.525 5.448 1.00 0.00 ? 41 ASP A CG 21 ATOM 29063 O OD1 . ASP A 1 41 ? 27.296 15.350 5.363 1.00 0.00 ? 41 ASP A OD1 21 ATOM 29064 O OD2 . ASP A 1 41 ? 25.486 16.554 5.036 1.00 0.00 ? 41 ASP A OD2 21 ATOM 29065 O OXT . ASP A 1 41 ? 26.149 12.557 8.107 1.00 0.00 ? 41 ASP A OXT 21 ATOM 29066 H H . ASP A 1 41 ? 23.945 12.054 6.217 1.00 0.00 ? 41 ASP A H 21 ATOM 29067 H HA . ASP A 1 41 ? 26.375 13.069 4.904 1.00 0.00 ? 41 ASP A HA 21 ATOM 29068 H HB2 . ASP A 1 41 ? 24.219 14.504 5.689 1.00 0.00 ? 41 ASP A HB2 21 ATOM 29069 H HB3 . ASP A 1 41 ? 25.199 14.596 7.150 1.00 0.00 ? 41 ASP A HB3 21 ATOM 29070 N N . ALA B 1 1 ? 30.782 8.925 -2.577 1.00 0.00 ? 1 ALA B N 21 ATOM 29071 C CA . ALA B 1 1 ? 30.310 7.745 -1.808 1.00 0.00 ? 1 ALA B CA 21 ATOM 29072 C C . ALA B 1 1 ? 29.324 6.919 -2.627 1.00 0.00 ? 1 ALA B C 21 ATOM 29073 O O . ALA B 1 1 ? 28.113 7.129 -2.554 1.00 0.00 ? 1 ALA B O 21 ATOM 29074 C CB . ALA B 1 1 ? 29.668 8.192 -0.503 1.00 0.00 ? 1 ALA B CB 21 ATOM 29075 H H1 . ALA B 1 1 ? 30.711 8.692 -3.589 1.00 0.00 ? 1 ALA B H1 21 ATOM 29076 H H2 . ALA B 1 1 ? 30.171 9.729 -2.334 1.00 0.00 ? 1 ALA B H2 21 ATOM 29077 H H3 . ALA B 1 1 ? 31.768 9.109 -2.304 1.00 0.00 ? 1 ALA B H3 21 ATOM 29078 H HA . ALA B 1 1 ? 31.166 7.130 -1.568 1.00 0.00 ? 1 ALA B HA 21 ATOM 29079 H HB1 . ALA B 1 1 ? 29.786 9.260 -0.390 1.00 0.00 ? 1 ALA B HB1 21 ATOM 29080 H HB2 . ALA B 1 1 ? 28.617 7.944 -0.515 1.00 0.00 ? 1 ALA B HB2 21 ATOM 29081 H HB3 . ALA B 1 1 ? 30.146 7.688 0.325 1.00 0.00 ? 1 ALA B HB3 21 ATOM 29082 N N . LEU B 1 2 ? 29.851 5.983 -3.409 1.00 0.00 ? 2 LEU B N 21 ATOM 29083 C CA . LEU B 1 2 ? 29.015 5.129 -4.245 1.00 0.00 ? 2 LEU B CA 21 ATOM 29084 C C . LEU B 1 2 ? 28.870 3.734 -3.642 1.00 0.00 ? 2 LEU B C 21 ATOM 29085 O O . LEU B 1 2 ? 29.853 3.010 -3.481 1.00 0.00 ? 2 LEU B O 21 ATOM 29086 C CB . LEU B 1 2 ? 29.605 5.027 -5.653 1.00 0.00 ? 2 LEU B CB 21 ATOM 29087 C CG . LEU B 1 2 ? 29.118 6.090 -6.639 1.00 0.00 ? 2 LEU B CG 21 ATOM 29088 C CD1 . LEU B 1 2 ? 30.297 6.834 -7.248 1.00 0.00 ? 2 LEU B CD1 21 ATOM 29089 C CD2 . LEU B 1 2 ? 28.266 5.455 -7.728 1.00 0.00 ? 2 LEU B CD2 21 ATOM 29090 H H . LEU B 1 2 ? 30.824 5.865 -3.426 1.00 0.00 ? 2 LEU B H 21 ATOM 29091 H HA . LEU B 1 2 ? 28.038 5.583 -4.308 1.00 0.00 ? 2 LEU B HA 21 ATOM 29092 H HB2 . LEU B 1 2 ? 30.681 5.103 -5.576 1.00 0.00 ? 2 LEU B HB2 21 ATOM 29093 H HB3 . LEU B 1 2 ? 29.359 4.056 -6.055 1.00 0.00 ? 2 LEU B HB3 21 ATOM 29094 H HG . LEU B 1 2 ? 28.507 6.808 -6.111 1.00 0.00 ? 2 LEU B HG 21 ATOM 29095 H HD11 . LEU B 1 2 ? 31.153 6.178 -7.292 1.00 0.00 ? 2 LEU B HD11 21 ATOM 29096 H HD12 . LEU B 1 2 ? 30.041 7.158 -8.246 1.00 0.00 ? 2 LEU B HD12 21 ATOM 29097 H HD13 . LEU B 1 2 ? 30.532 7.695 -6.640 1.00 0.00 ? 2 LEU B HD13 21 ATOM 29098 H HD21 . LEU B 1 2 ? 27.700 4.635 -7.310 1.00 0.00 ? 2 LEU B HD21 21 ATOM 29099 H HD22 . LEU B 1 2 ? 27.588 6.192 -8.130 1.00 0.00 ? 2 LEU B HD22 21 ATOM 29100 H HD23 . LEU B 1 2 ? 28.907 5.086 -8.516 1.00 0.00 ? 2 LEU B HD23 21 ATOM 29101 N N . LYS B 1 3 ? 27.634 3.363 -3.320 1.00 0.00 ? 3 LYS B N 21 ATOM 29102 C CA . LYS B 1 3 ? 27.351 2.051 -2.745 1.00 0.00 ? 3 LYS B CA 21 ATOM 29103 C C . LYS B 1 3 ? 26.507 1.222 -3.708 1.00 0.00 ? 3 LYS B C 21 ATOM 29104 O O . LYS B 1 3 ? 25.312 1.033 -3.498 1.00 0.00 ? 3 LYS B O 21 ATOM 29105 C CB . LYS B 1 3 ? 26.622 2.196 -1.410 1.00 0.00 ? 3 LYS B CB 21 ATOM 29106 C CG . LYS B 1 3 ? 27.441 2.894 -0.337 1.00 0.00 ? 3 LYS B CG 21 ATOM 29107 C CD . LYS B 1 3 ? 27.755 4.330 -0.720 1.00 0.00 ? 3 LYS B CD 21 ATOM 29108 C CE . LYS B 1 3 ? 27.897 5.214 0.508 1.00 0.00 ? 3 LYS B CE 21 ATOM 29109 N NZ . LYS B 1 3 ? 26.731 6.125 0.674 1.00 0.00 ? 3 LYS B NZ 21 ATOM 29110 H H . LYS B 1 3 ? 26.893 3.983 -3.480 1.00 0.00 ? 3 LYS B H 21 ATOM 29111 H HA . LYS B 1 3 ? 28.293 1.548 -2.583 1.00 0.00 ? 3 LYS B HA 21 ATOM 29112 H HB2 . LYS B 1 3 ? 25.717 2.763 -1.566 1.00 0.00 ? 3 LYS B HB2 21 ATOM 29113 H HB3 . LYS B 1 3 ? 26.362 1.213 -1.049 1.00 0.00 ? 3 LYS B HB3 21 ATOM 29114 H HG2 . LYS B 1 3 ? 26.881 2.894 0.586 1.00 0.00 ? 3 LYS B HG2 21 ATOM 29115 H HG3 . LYS B 1 3 ? 28.367 2.356 -0.198 1.00 0.00 ? 3 LYS B HG3 21 ATOM 29116 H HD2 . LYS B 1 3 ? 28.681 4.350 -1.275 1.00 0.00 ? 3 LYS B HD2 21 ATOM 29117 H HD3 . LYS B 1 3 ? 26.954 4.711 -1.337 1.00 0.00 ? 3 LYS B HD3 21 ATOM 29118 H HE2 . LYS B 1 3 ? 27.978 4.585 1.381 1.00 0.00 ? 3 LYS B HE2 21 ATOM 29119 H HE3 . LYS B 1 3 ? 28.795 5.807 0.407 1.00 0.00 ? 3 LYS B HE3 21 ATOM 29120 H HZ1 . LYS B 1 3 ? 26.042 5.967 -0.089 1.00 0.00 ? 3 LYS B HZ1 21 ATOM 29121 H HZ2 . LYS B 1 3 ? 26.267 5.948 1.588 1.00 0.00 ? 3 LYS B HZ2 21 ATOM 29122 H HZ3 . LYS B 1 3 ? 27.044 7.116 0.643 1.00 0.00 ? 3 LYS B HZ3 21 ATOM 29123 N N . LYS B 1 4 ? 27.137 0.743 -4.770 1.00 0.00 ? 4 LYS B N 21 ATOM 29124 C CA . LYS B 1 4 ? 26.453 -0.055 -5.781 1.00 0.00 ? 4 LYS B CA 21 ATOM 29125 C C . LYS B 1 4 ? 25.550 -1.121 -5.161 1.00 0.00 ? 4 LYS B C 21 ATOM 29126 O O . LYS B 1 4 ? 24.339 -1.124 -5.384 1.00 0.00 ? 4 LYS B O 21 ATOM 29127 C CB . LYS B 1 4 ? 27.479 -0.720 -6.699 1.00 0.00 ? 4 LYS B CB 21 ATOM 29128 C CG . LYS B 1 4 ? 27.649 -0.013 -8.033 1.00 0.00 ? 4 LYS B CG 21 ATOM 29129 C CD . LYS B 1 4 ? 26.396 -0.124 -8.884 1.00 0.00 ? 4 LYS B CD 21 ATOM 29130 C CE . LYS B 1 4 ? 26.693 -0.768 -10.229 1.00 0.00 ? 4 LYS B CE 21 ATOM 29131 N NZ . LYS B 1 4 ? 27.357 -2.091 -10.076 1.00 0.00 ? 4 LYS B NZ 21 ATOM 29132 H H . LYS B 1 4 ? 28.090 0.939 -4.883 1.00 0.00 ? 4 LYS B H 21 ATOM 29133 H HA . LYS B 1 4 ? 25.842 0.613 -6.368 1.00 0.00 ? 4 LYS B HA 21 ATOM 29134 H HB2 . LYS B 1 4 ? 28.436 -0.733 -6.200 1.00 0.00 ? 4 LYS B HB2 21 ATOM 29135 H HB3 . LYS B 1 4 ? 27.169 -1.736 -6.892 1.00 0.00 ? 4 LYS B HB3 21 ATOM 29136 H HG2 . LYS B 1 4 ? 27.858 1.031 -7.853 1.00 0.00 ? 4 LYS B HG2 21 ATOM 29137 H HG3 . LYS B 1 4 ? 28.475 -0.462 -8.563 1.00 0.00 ? 4 LYS B HG3 21 ATOM 29138 H HD2 . LYS B 1 4 ? 25.669 -0.728 -8.360 1.00 0.00 ? 4 LYS B HD2 21 ATOM 29139 H HD3 . LYS B 1 4 ? 25.995 0.865 -9.049 1.00 0.00 ? 4 LYS B HD3 21 ATOM 29140 H HE2 . LYS B 1 4 ? 25.764 -0.900 -10.763 1.00 0.00 ? 4 LYS B HE2 21 ATOM 29141 H HE3 . LYS B 1 4 ? 27.341 -0.112 -10.791 1.00 0.00 ? 4 LYS B HE3 21 ATOM 29142 H HZ1 . LYS B 1 4 ? 27.445 -2.333 -9.067 1.00 0.00 ? 4 LYS B HZ1 21 ATOM 29143 H HZ2 . LYS B 1 4 ? 26.796 -2.830 -10.548 1.00 0.00 ? 4 LYS B HZ2 21 ATOM 29144 H HZ3 . LYS B 1 4 ? 28.305 -2.067 -10.500 1.00 0.00 ? 4 LYS B HZ3 21 ATOM 29145 N N . HIS B 1 5 ? 26.143 -2.031 -4.398 1.00 0.00 ? 5 HIS B N 21 ATOM 29146 C CA . HIS B 1 5 ? 25.389 -3.109 -3.767 1.00 0.00 ? 5 HIS B CA 21 ATOM 29147 C C . HIS B 1 5 ? 24.159 -2.574 -3.040 1.00 0.00 ? 5 HIS B C 21 ATOM 29148 O O . HIS B 1 5 ? 23.112 -3.226 -3.009 1.00 0.00 ? 5 HIS B O 21 ATOM 29149 C CB . HIS B 1 5 ? 26.279 -3.887 -2.797 1.00 0.00 ? 5 HIS B CB 21 ATOM 29150 C CG . HIS B 1 5 ? 26.605 -3.140 -1.541 1.00 0.00 ? 5 HIS B CG 21 ATOM 29151 N ND1 . HIS B 1 5 ? 25.887 -3.285 -0.372 1.00 0.00 ? 5 HIS B ND1 21 ATOM 29152 C CD2 . HIS B 1 5 ? 27.585 -2.246 -1.270 1.00 0.00 ? 5 HIS B CD2 21 ATOM 29153 C CE1 . HIS B 1 5 ? 26.411 -2.512 0.563 1.00 0.00 ? 5 HIS B CE1 21 ATOM 29154 N NE2 . HIS B 1 5 ? 27.442 -1.872 0.043 1.00 0.00 ? 5 HIS B NE2 21 ATOM 29155 H H . HIS B 1 5 ? 27.112 -1.984 -4.263 1.00 0.00 ? 5 HIS B H 21 ATOM 29156 H HA . HIS B 1 5 ? 25.061 -3.778 -4.549 1.00 0.00 ? 5 HIS B HA 21 ATOM 29157 H HB2 . HIS B 1 5 ? 25.780 -4.802 -2.516 1.00 0.00 ? 5 HIS B HB2 21 ATOM 29158 H HB3 . HIS B 1 5 ? 27.210 -4.130 -3.290 1.00 0.00 ? 5 HIS B HB3 21 ATOM 29159 H HD1 . HIS B 1 5 ? 25.108 -3.866 -0.247 1.00 0.00 ? 5 HIS B HD1 21 ATOM 29160 H HD2 . HIS B 1 5 ? 28.339 -1.892 -1.959 1.00 0.00 ? 5 HIS B HD2 21 ATOM 29161 H HE1 . HIS B 1 5 ? 26.057 -2.420 1.578 1.00 0.00 ? 5 HIS B HE1 21 ATOM 29162 H HE2 . HIS B 1 5 ? 28.012 -1.234 0.520 1.00 0.00 ? 5 HIS B HE2 21 ATOM 29163 N N . HIS B 1 6 ? 24.285 -1.388 -2.458 1.00 0.00 ? 6 HIS B N 21 ATOM 29164 C CA . HIS B 1 6 ? 23.172 -0.779 -1.736 1.00 0.00 ? 6 HIS B CA 21 ATOM 29165 C C . HIS B 1 6 ? 22.024 -0.461 -2.681 1.00 0.00 ? 6 HIS B C 21 ATOM 29166 O O . HIS B 1 6 ? 20.882 -0.816 -2.412 1.00 0.00 ? 6 HIS B O 21 ATOM 29167 C CB . HIS B 1 6 ? 23.623 0.488 -1.007 1.00 0.00 ? 6 HIS B CB 21 ATOM 29168 C CG . HIS B 1 6 ? 23.946 0.266 0.437 1.00 0.00 ? 6 HIS B CG 21 ATOM 29169 N ND1 . HIS B 1 6 ? 25.217 -0.025 0.888 1.00 0.00 ? 6 HIS B ND1 21 ATOM 29170 C CD2 . HIS B 1 6 ? 23.157 0.293 1.538 1.00 0.00 ? 6 HIS B CD2 21 ATOM 29171 C CE1 . HIS B 1 6 ? 25.197 -0.169 2.200 1.00 0.00 ? 6 HIS B CE1 21 ATOM 29172 N NE2 . HIS B 1 6 ? 23.959 0.020 2.618 1.00 0.00 ? 6 HIS B NE2 21 ATOM 29173 H H . HIS B 1 6 ? 25.141 -0.913 -2.516 1.00 0.00 ? 6 HIS B H 21 ATOM 29174 H HA . HIS B 1 6 ? 22.823 -1.499 -1.010 1.00 0.00 ? 6 HIS B HA 21 ATOM 29175 H HB2 . HIS B 1 6 ? 24.505 0.877 -1.488 1.00 0.00 ? 6 HIS B HB2 21 ATOM 29176 H HB3 . HIS B 1 6 ? 22.835 1.225 -1.062 1.00 0.00 ? 6 HIS B HB3 21 ATOM 29177 H HD1 . HIS B 1 6 ? 26.016 -0.113 0.328 1.00 0.00 ? 6 HIS B HD1 21 ATOM 29178 H HD2 . HIS B 1 6 ? 22.096 0.495 1.561 1.00 0.00 ? 6 HIS B HD2 21 ATOM 29179 H HE1 . HIS B 1 6 ? 26.046 -0.401 2.824 1.00 0.00 ? 6 HIS B HE1 21 ATOM 29180 H HE2 . HIS B 1 6 ? 23.663 -0.027 3.551 1.00 0.00 ? 6 HIS B HE2 21 ATOM 29181 N N . GLU B 1 7 ? 22.329 0.203 -3.792 1.00 0.00 ? 7 GLU B N 21 ATOM 29182 C CA . GLU B 1 7 ? 21.310 0.547 -4.774 1.00 0.00 ? 7 GLU B CA 21 ATOM 29183 C C . GLU B 1 7 ? 20.608 -0.711 -5.278 1.00 0.00 ? 7 GLU B C 21 ATOM 29184 O O . GLU B 1 7 ? 19.483 -0.648 -5.771 1.00 0.00 ? 7 GLU B O 21 ATOM 29185 C CB . GLU B 1 7 ? 21.936 1.304 -5.948 1.00 0.00 ? 7 GLU B CB 21 ATOM 29186 C CG . GLU B 1 7 ? 21.283 2.649 -6.219 1.00 0.00 ? 7 GLU B CG 21 ATOM 29187 C CD . GLU B 1 7 ? 21.851 3.334 -7.448 1.00 0.00 ? 7 GLU B CD 21 ATOM 29188 O OE1 . GLU B 1 7 ? 22.387 2.628 -8.327 1.00 0.00 ? 7 GLU B OE1 21 ATOM 29189 O OE2 . GLU B 1 7 ? 21.758 4.578 -7.530 1.00 0.00 ? 7 GLU B OE2 21 ATOM 29190 H H . GLU B 1 7 ? 23.256 0.459 -3.959 1.00 0.00 ? 7 GLU B H 21 ATOM 29191 H HA . GLU B 1 7 ? 20.585 1.184 -4.291 1.00 0.00 ? 7 GLU B HA 21 ATOM 29192 H HB2 . GLU B 1 7 ? 22.982 1.471 -5.736 1.00 0.00 ? 7 GLU B HB2 21 ATOM 29193 H HB3 . GLU B 1 7 ? 21.850 0.699 -6.838 1.00 0.00 ? 7 GLU B HB3 21 ATOM 29194 H HG2 . GLU B 1 7 ? 20.224 2.498 -6.368 1.00 0.00 ? 7 GLU B HG2 21 ATOM 29195 H HG3 . GLU B 1 7 ? 21.438 3.290 -5.364 1.00 0.00 ? 7 GLU B HG3 21 ATOM 29196 N N . ASN B 1 8 ? 21.280 -1.856 -5.147 1.00 0.00 ? 8 ASN B N 21 ATOM 29197 C CA . ASN B 1 8 ? 20.718 -3.129 -5.585 1.00 0.00 ? 8 ASN B CA 21 ATOM 29198 C C . ASN B 1 8 ? 19.573 -3.552 -4.671 1.00 0.00 ? 8 ASN B C 21 ATOM 29199 O O . ASN B 1 8 ? 18.427 -3.663 -5.109 1.00 0.00 ? 8 ASN B O 21 ATOM 29200 C CB . ASN B 1 8 ? 21.800 -4.210 -5.602 1.00 0.00 ? 8 ASN B CB 21 ATOM 29201 C CG . ASN B 1 8 ? 21.779 -5.027 -6.880 1.00 0.00 ? 8 ASN B CG 21 ATOM 29202 O OD1 . ASN B 1 8 ? 20.778 -5.665 -7.207 1.00 0.00 ? 8 ASN B OD1 21 ATOM 29203 N ND2 . ASN B 1 8 ? 22.888 -5.010 -7.611 1.00 0.00 ? 8 ASN B ND2 21 ATOM 29204 H H . ASN B 1 8 ? 22.172 -1.844 -4.745 1.00 0.00 ? 8 ASN B H 21 ATOM 29205 H HA . ASN B 1 8 ? 20.335 -2.996 -6.585 1.00 0.00 ? 8 ASN B HA 21 ATOM 29206 H HB2 . ASN B 1 8 ? 22.769 -3.743 -5.512 1.00 0.00 ? 8 ASN B HB2 21 ATOM 29207 H HB3 . ASN B 1 8 ? 21.646 -4.878 -4.768 1.00 0.00 ? 8 ASN B HB3 21 ATOM 29208 H HD21 . ASN B 1 8 ? 23.646 -4.479 -7.290 1.00 0.00 ? 8 ASN B HD21 21 ATOM 29209 H HD22 . ASN B 1 8 ? 22.902 -5.529 -8.442 1.00 0.00 ? 8 ASN B HD22 21 ATOM 29210 N N . GLU B 1 9 ? 19.881 -3.767 -3.394 1.00 0.00 ? 9 GLU B N 21 ATOM 29211 C CA . GLU B 1 9 ? 18.860 -4.156 -2.428 1.00 0.00 ? 9 GLU B CA 21 ATOM 29212 C C . GLU B 1 9 ? 17.886 -3.002 -2.179 1.00 0.00 ? 9 GLU B C 21 ATOM 29213 O O . GLU B 1 9 ? 16.823 -3.186 -1.584 1.00 0.00 ? 9 GLU B O 21 ATOM 29214 C CB . GLU B 1 9 ? 19.509 -4.586 -1.111 1.00 0.00 ? 9 GLU B CB 21 ATOM 29215 C CG . GLU B 1 9 ? 20.236 -5.918 -1.198 1.00 0.00 ? 9 GLU B CG 21 ATOM 29216 C CD . GLU B 1 9 ? 21.320 -5.922 -2.258 1.00 0.00 ? 9 GLU B CD 21 ATOM 29217 O OE1 . GLU B 1 9 ? 22.409 -5.370 -1.997 1.00 0.00 ? 9 GLU B OE1 21 ATOM 29218 O OE2 . GLU B 1 9 ? 21.079 -6.477 -3.351 1.00 0.00 ? 9 GLU B OE2 21 ATOM 29219 H H . GLU B 1 9 ? 20.813 -3.646 -3.093 1.00 0.00 ? 9 GLU B H 21 ATOM 29220 H HA . GLU B 1 9 ? 18.313 -4.991 -2.841 1.00 0.00 ? 9 GLU B HA 21 ATOM 29221 H HB2 . GLU B 1 9 ? 20.219 -3.831 -0.811 1.00 0.00 ? 9 GLU B HB2 21 ATOM 29222 H HB3 . GLU B 1 9 ? 18.742 -4.668 -0.355 1.00 0.00 ? 9 GLU B HB3 21 ATOM 29223 H HG2 . GLU B 1 9 ? 20.691 -6.128 -0.241 1.00 0.00 ? 9 GLU B HG2 21 ATOM 29224 H HG3 . GLU B 1 9 ? 19.519 -6.690 -1.433 1.00 0.00 ? 9 GLU B HG3 21 ATOM 29225 N N . ILE B 1 10 ? 18.259 -1.813 -2.648 1.00 0.00 ? 10 ILE B N 21 ATOM 29226 C CA . ILE B 1 10 ? 17.443 -0.622 -2.494 1.00 0.00 ? 10 ILE B CA 21 ATOM 29227 C C . ILE B 1 10 ? 16.425 -0.534 -3.628 1.00 0.00 ? 10 ILE B C 21 ATOM 29228 O O . ILE B 1 10 ? 15.324 -0.013 -3.451 1.00 0.00 ? 10 ILE B O 21 ATOM 29229 C CB . ILE B 1 10 ? 18.350 0.637 -2.463 1.00 0.00 ? 10 ILE B CB 21 ATOM 29230 C CG1 . ILE B 1 10 ? 19.096 0.708 -1.131 1.00 0.00 ? 10 ILE B CG1 21 ATOM 29231 C CG2 . ILE B 1 10 ? 17.567 1.922 -2.696 1.00 0.00 ? 10 ILE B CG2 21 ATOM 29232 C CD1 . ILE B 1 10 ? 20.304 1.619 -1.162 1.00 0.00 ? 10 ILE B CD1 21 ATOM 29233 H H . ILE B 1 10 ? 19.106 -1.734 -3.120 1.00 0.00 ? 10 ILE B H 21 ATOM 29234 H HA . ILE B 1 10 ? 16.918 -0.694 -1.552 1.00 0.00 ? 10 ILE B HA 21 ATOM 29235 H HB . ILE B 1 10 ? 19.072 0.543 -3.258 1.00 0.00 ? 10 ILE B HB 21 ATOM 29236 H HG12 . ILE B 1 10 ? 18.425 1.075 -0.369 1.00 0.00 ? 10 ILE B HG12 21 ATOM 29237 H HG13 . ILE B 1 10 ? 19.433 -0.282 -0.861 1.00 0.00 ? 10 ILE B HG13 21 ATOM 29238 H HG21 . ILE B 1 10 ? 16.510 1.708 -2.697 1.00 0.00 ? 10 ILE B HG21 21 ATOM 29239 H HG22 . ILE B 1 10 ? 17.794 2.626 -1.909 1.00 0.00 ? 10 ILE B HG22 21 ATOM 29240 H HG23 . ILE B 1 10 ? 17.852 2.344 -3.649 1.00 0.00 ? 10 ILE B HG23 21 ATOM 29241 H HD11 . ILE B 1 10 ? 20.776 1.558 -2.132 1.00 0.00 ? 10 ILE B HD11 21 ATOM 29242 H HD12 . ILE B 1 10 ? 19.992 2.636 -0.977 1.00 0.00 ? 10 ILE B HD12 21 ATOM 29243 H HD13 . ILE B 1 10 ? 21.005 1.313 -0.400 1.00 0.00 ? 10 ILE B HD13 21 ATOM 29244 N N . SER B 1 11 ? 16.797 -1.066 -4.787 1.00 0.00 ? 11 SER B N 21 ATOM 29245 C CA . SER B 1 11 ? 15.913 -1.067 -5.942 1.00 0.00 ? 11 SER B CA 21 ATOM 29246 C C . SER B 1 11 ? 14.866 -2.161 -5.790 1.00 0.00 ? 11 SER B C 21 ATOM 29247 O O . SER B 1 11 ? 13.737 -2.031 -6.266 1.00 0.00 ? 11 SER B O 21 ATOM 29248 C CB . SER B 1 11 ? 16.713 -1.278 -7.229 1.00 0.00 ? 11 SER B CB 21 ATOM 29249 O OG . SER B 1 11 ? 15.854 -1.487 -8.335 1.00 0.00 ? 11 SER B OG 21 ATOM 29250 H H . SER B 1 11 ? 17.682 -1.481 -4.860 1.00 0.00 ? 11 SER B H 21 ATOM 29251 H HA . SER B 1 11 ? 15.417 -0.109 -5.985 1.00 0.00 ? 11 SER B HA 21 ATOM 29252 H HB2 . SER B 1 11 ? 17.320 -0.406 -7.420 1.00 0.00 ? 11 SER B HB2 21 ATOM 29253 H HB3 . SER B 1 11 ? 17.351 -2.143 -7.115 1.00 0.00 ? 11 SER B HB3 21 ATOM 29254 H HG . SER B 1 11 ? 15.740 -0.663 -8.814 1.00 0.00 ? 11 SER B HG 21 ATOM 29255 N N . HIS B 1 12 ? 15.248 -3.238 -5.110 1.00 0.00 ? 12 HIS B N 21 ATOM 29256 C CA . HIS B 1 12 ? 14.347 -4.355 -4.880 1.00 0.00 ? 12 HIS B CA 21 ATOM 29257 C C . HIS B 1 12 ? 13.299 -3.971 -3.828 1.00 0.00 ? 12 HIS B C 21 ATOM 29258 O O . HIS B 1 12 ? 12.101 -4.172 -4.035 1.00 0.00 ? 12 HIS B O 21 ATOM 29259 C CB . HIS B 1 12 ? 15.164 -5.607 -4.488 1.00 0.00 ? 12 HIS B CB 21 ATOM 29260 C CG . HIS B 1 12 ? 14.649 -6.387 -3.311 1.00 0.00 ? 12 HIS B CG 21 ATOM 29261 N ND1 . HIS B 1 12 ? 13.593 -7.270 -3.392 1.00 0.00 ? 12 HIS B ND1 21 ATOM 29262 C CD2 . HIS B 1 12 ? 15.062 -6.409 -2.026 1.00 0.00 ? 12 HIS B CD2 21 ATOM 29263 C CE1 . HIS B 1 12 ? 13.378 -7.803 -2.202 1.00 0.00 ? 12 HIS B CE1 21 ATOM 29264 N NE2 . HIS B 1 12 ? 14.257 -7.296 -1.356 1.00 0.00 ? 12 HIS B NE2 21 ATOM 29265 H H . HIS B 1 12 ? 16.160 -3.279 -4.746 1.00 0.00 ? 12 HIS B H 21 ATOM 29266 H HA . HIS B 1 12 ? 13.835 -4.552 -5.812 1.00 0.00 ? 12 HIS B HA 21 ATOM 29267 H HB2 . HIS B 1 12 ? 15.190 -6.280 -5.331 1.00 0.00 ? 12 HIS B HB2 21 ATOM 29268 H HB3 . HIS B 1 12 ? 16.176 -5.300 -4.261 1.00 0.00 ? 12 HIS B HB3 21 ATOM 29269 H HD1 . HIS B 1 12 ? 13.078 -7.475 -4.199 1.00 0.00 ? 12 HIS B HD1 21 ATOM 29270 H HD2 . HIS B 1 12 ? 15.872 -5.830 -1.605 1.00 0.00 ? 12 HIS B HD2 21 ATOM 29271 H HE1 . HIS B 1 12 ? 12.615 -8.528 -1.962 1.00 0.00 ? 12 HIS B HE1 21 ATOM 29272 H HE2 . HIS B 1 12 ? 14.321 -7.521 -0.405 1.00 0.00 ? 12 HIS B HE2 21 ATOM 29273 N N . HIS B 1 13 ? 13.748 -3.400 -2.710 1.00 0.00 ? 13 HIS B N 21 ATOM 29274 C CA . HIS B 1 13 ? 12.822 -2.982 -1.666 1.00 0.00 ? 13 HIS B CA 21 ATOM 29275 C C . HIS B 1 13 ? 11.912 -1.884 -2.195 1.00 0.00 ? 13 HIS B C 21 ATOM 29276 O O . HIS B 1 13 ? 10.760 -1.764 -1.784 1.00 0.00 ? 13 HIS B O 21 ATOM 29277 C CB . HIS B 1 13 ? 13.566 -2.479 -0.430 1.00 0.00 ? 13 HIS B CB 21 ATOM 29278 C CG . HIS B 1 13 ? 14.514 -3.472 0.163 1.00 0.00 ? 13 HIS B CG 21 ATOM 29279 N ND1 . HIS B 1 13 ? 14.309 -4.833 0.121 1.00 0.00 ? 13 HIS B ND1 21 ATOM 29280 C CD2 . HIS B 1 13 ? 15.677 -3.287 0.826 1.00 0.00 ? 13 HIS B CD2 21 ATOM 29281 C CE1 . HIS B 1 13 ? 15.306 -5.445 0.734 1.00 0.00 ? 13 HIS B CE1 21 ATOM 29282 N NE2 . HIS B 1 13 ? 16.150 -4.528 1.170 1.00 0.00 ? 13 HIS B NE2 21 ATOM 29283 H H . HIS B 1 13 ? 14.713 -3.242 -2.595 1.00 0.00 ? 13 HIS B H 21 ATOM 29284 H HA . HIS B 1 13 ? 12.219 -3.837 -1.396 1.00 0.00 ? 13 HIS B HA 21 ATOM 29285 H HB2 . HIS B 1 13 ? 14.131 -1.598 -0.690 1.00 0.00 ? 13 HIS B HB2 21 ATOM 29286 H HB3 . HIS B 1 13 ? 12.842 -2.223 0.330 1.00 0.00 ? 13 HIS B HB3 21 ATOM 29287 H HD1 . HIS B 1 13 ? 13.545 -5.285 -0.296 1.00 0.00 ? 13 HIS B HD1 21 ATOM 29288 H HD2 . HIS B 1 13 ? 16.141 -2.337 1.046 1.00 0.00 ? 13 HIS B HD2 21 ATOM 29289 H HE1 . HIS B 1 13 ? 15.415 -6.513 0.856 1.00 0.00 ? 13 HIS B HE1 21 ATOM 29290 H HE2 . HIS B 1 13 ? 16.979 -4.708 1.660 1.00 0.00 ? 13 HIS B HE2 21 ATOM 29291 N N . ALA B 1 14 ? 12.442 -1.086 -3.120 1.00 0.00 ? 14 ALA B N 21 ATOM 29292 C CA . ALA B 1 14 ? 11.680 0.001 -3.717 1.00 0.00 ? 14 ALA B CA 21 ATOM 29293 C C . ALA B 1 14 ? 10.518 -0.553 -4.525 1.00 0.00 ? 14 ALA B C 21 ATOM 29294 O O . ALA B 1 14 ? 9.416 -0.006 -4.503 1.00 0.00 ? 14 ALA B O 21 ATOM 29295 C CB . ALA B 1 14 ? 12.579 0.861 -4.594 1.00 0.00 ? 14 ALA B CB 21 ATOM 29296 H H . ALA B 1 14 ? 13.367 -1.237 -3.409 1.00 0.00 ? 14 ALA B H 21 ATOM 29297 H HA . ALA B 1 14 ? 11.292 0.618 -2.919 1.00 0.00 ? 14 ALA B HA 21 ATOM 29298 H HB1 . ALA B 1 14 ? 13.493 1.085 -4.062 1.00 0.00 ? 14 ALA B HB1 21 ATOM 29299 H HB2 . ALA B 1 14 ? 12.814 0.327 -5.502 1.00 0.00 ? 14 ALA B HB2 21 ATOM 29300 H HB3 . ALA B 1 14 ? 12.070 1.781 -4.838 1.00 0.00 ? 14 ALA B HB3 21 ATOM 29301 N N . LYS B 1 15 ? 10.770 -1.651 -5.228 1.00 0.00 ? 15 LYS B N 21 ATOM 29302 C CA . LYS B 1 15 ? 9.741 -2.294 -6.033 1.00 0.00 ? 15 LYS B CA 21 ATOM 29303 C C . LYS B 1 15 ? 8.713 -2.975 -5.135 1.00 0.00 ? 15 LYS B C 21 ATOM 29304 O O . LYS B 1 15 ? 7.571 -3.197 -5.540 1.00 0.00 ? 15 LYS B O 21 ATOM 29305 C CB . LYS B 1 15 ? 10.369 -3.317 -6.981 1.00 0.00 ? 15 LYS B CB 21 ATOM 29306 C CG . LYS B 1 15 ? 10.890 -2.710 -8.273 1.00 0.00 ? 15 LYS B CG 21 ATOM 29307 C CD . LYS B 1 15 ? 11.776 -3.686 -9.030 1.00 0.00 ? 15 LYS B CD 21 ATOM 29308 C CE . LYS B 1 15 ? 12.058 -3.202 -10.443 1.00 0.00 ? 15 LYS B CE 21 ATOM 29309 N NZ . LYS B 1 15 ? 12.340 -4.332 -11.371 1.00 0.00 ? 15 LYS B NZ 21 ATOM 29310 H H . LYS B 1 15 ? 11.669 -2.044 -5.198 1.00 0.00 ? 15 LYS B H 21 ATOM 29311 H HA . LYS B 1 15 ? 9.247 -1.529 -6.615 1.00 0.00 ? 15 LYS B HA 21 ATOM 29312 H HB2 . LYS B 1 15 ? 11.192 -3.801 -6.478 1.00 0.00 ? 15 LYS B HB2 21 ATOM 29313 H HB3 . LYS B 1 15 ? 9.625 -4.060 -7.232 1.00 0.00 ? 15 LYS B HB3 21 ATOM 29314 H HG2 . LYS B 1 15 ? 10.051 -2.442 -8.899 1.00 0.00 ? 15 LYS B HG2 21 ATOM 29315 H HG3 . LYS B 1 15 ? 11.463 -1.825 -8.038 1.00 0.00 ? 15 LYS B HG3 21 ATOM 29316 H HD2 . LYS B 1 15 ? 12.713 -3.791 -8.502 1.00 0.00 ? 15 LYS B HD2 21 ATOM 29317 H HD3 . LYS B 1 15 ? 11.279 -4.644 -9.079 1.00 0.00 ? 15 LYS B HD3 21 ATOM 29318 H HE2 . LYS B 1 15 ? 11.197 -2.660 -10.803 1.00 0.00 ? 15 LYS B HE2 21 ATOM 29319 H HE3 . LYS B 1 15 ? 12.914 -2.544 -10.420 1.00 0.00 ? 15 LYS B HE3 21 ATOM 29320 H HZ1 . LYS B 1 15 ? 11.557 -5.016 -11.350 1.00 0.00 ? 15 LYS B HZ1 21 ATOM 29321 H HZ2 . LYS B 1 15 ? 12.451 -3.977 -12.343 1.00 0.00 ? 15 LYS B HZ2 21 ATOM 29322 H HZ3 . LYS B 1 15 ? 13.215 -4.817 -11.089 1.00 0.00 ? 15 LYS B HZ3 21 ATOM 29323 N N . GLU B 1 16 ? 9.125 -3.306 -3.913 1.00 0.00 ? 16 GLU B N 21 ATOM 29324 C CA . GLU B 1 16 ? 8.240 -3.963 -2.956 1.00 0.00 ? 16 GLU B CA 21 ATOM 29325 C C . GLU B 1 16 ? 7.227 -2.978 -2.376 1.00 0.00 ? 16 GLU B C 21 ATOM 29326 O O . GLU B 1 16 ? 6.052 -3.306 -2.223 1.00 0.00 ? 16 GLU B O 21 ATOM 29327 C CB . GLU B 1 16 ? 9.055 -4.598 -1.829 1.00 0.00 ? 16 GLU B CB 21 ATOM 29328 C CG . GLU B 1 16 ? 9.169 -6.110 -1.938 1.00 0.00 ? 16 GLU B CG 21 ATOM 29329 C CD . GLU B 1 16 ? 10.592 -6.570 -2.186 1.00 0.00 ? 16 GLU B CD 21 ATOM 29330 O OE1 . GLU B 1 16 ? 11.527 -5.903 -1.695 1.00 0.00 ? 16 GLU B OE1 21 ATOM 29331 O OE2 . GLU B 1 16 ? 10.772 -7.598 -2.873 1.00 0.00 ? 16 GLU B OE2 21 ATOM 29332 H H . GLU B 1 16 ? 10.049 -3.108 -3.648 1.00 0.00 ? 16 GLU B H 21 ATOM 29333 H HA . GLU B 1 16 ? 7.705 -4.738 -3.482 1.00 0.00 ? 16 GLU B HA 21 ATOM 29334 H HB2 . GLU B 1 16 ? 10.051 -4.181 -1.840 1.00 0.00 ? 16 GLU B HB2 21 ATOM 29335 H HB3 . GLU B 1 16 ? 8.586 -4.362 -0.884 1.00 0.00 ? 16 GLU B HB3 21 ATOM 29336 H HG2 . GLU B 1 16 ? 8.820 -6.552 -1.016 1.00 0.00 ? 16 GLU B HG2 21 ATOM 29337 H HG3 . GLU B 1 16 ? 8.549 -6.447 -2.756 1.00 0.00 ? 16 GLU B HG3 21 ATOM 29338 N N . ILE B 1 17 ? 7.687 -1.771 -2.054 1.00 0.00 ? 17 ILE B N 21 ATOM 29339 C CA . ILE B 1 17 ? 6.810 -0.746 -1.494 1.00 0.00 ? 17 ILE B CA 21 ATOM 29340 C C . ILE B 1 17 ? 5.902 -0.165 -2.575 1.00 0.00 ? 17 ILE B C 21 ATOM 29341 O O . ILE B 1 17 ? 4.750 0.183 -2.311 1.00 0.00 ? 17 ILE B O 21 ATOM 29342 C CB . ILE B 1 17 ? 7.625 0.388 -0.830 1.00 0.00 ? 17 ILE B CB 21 ATOM 29343 C CG1 . ILE B 1 17 ? 6.699 1.512 -0.346 1.00 0.00 ? 17 ILE B CG1 21 ATOM 29344 C CG2 . ILE B 1 17 ? 8.675 0.923 -1.793 1.00 0.00 ? 17 ILE B CG2 21 ATOM 29345 C CD1 . ILE B 1 17 ? 7.431 2.764 0.089 1.00 0.00 ? 17 ILE B CD1 21 ATOM 29346 H H . ILE B 1 17 ? 8.635 -1.564 -2.199 1.00 0.00 ? 17 ILE B H 21 ATOM 29347 H HA . ILE B 1 17 ? 6.192 -1.211 -0.738 1.00 0.00 ? 17 ILE B HA 21 ATOM 29348 H HB . ILE B 1 17 ? 8.141 -0.030 0.021 1.00 0.00 ? 17 ILE B HB 21 ATOM 29349 H HG12 . ILE B 1 17 ? 6.026 1.786 -1.144 1.00 0.00 ? 17 ILE B HG12 21 ATOM 29350 H HG13 . ILE B 1 17 ? 6.124 1.155 0.496 1.00 0.00 ? 17 ILE B HG13 21 ATOM 29351 H HG21 . ILE B 1 17 ? 8.213 1.150 -2.742 1.00 0.00 ? 17 ILE B HG21 21 ATOM 29352 H HG22 . ILE B 1 17 ? 9.115 1.820 -1.384 1.00 0.00 ? 17 ILE B HG22 21 ATOM 29353 H HG23 . ILE B 1 17 ? 9.446 0.180 -1.935 1.00 0.00 ? 17 ILE B HG23 21 ATOM 29354 H HD11 . ILE B 1 17 ? 8.306 2.490 0.660 1.00 0.00 ? 17 ILE B HD11 21 ATOM 29355 H HD12 . ILE B 1 17 ? 7.731 3.326 -0.782 1.00 0.00 ? 17 ILE B HD12 21 ATOM 29356 H HD13 . ILE B 1 17 ? 6.777 3.368 0.700 1.00 0.00 ? 17 ILE B HD13 21 ATOM 29357 N N . GLU B 1 18 ? 6.424 -0.071 -3.792 1.00 0.00 ? 18 GLU B N 21 ATOM 29358 C CA . GLU B 1 18 ? 5.656 0.459 -4.911 1.00 0.00 ? 18 GLU B CA 21 ATOM 29359 C C . GLU B 1 18 ? 4.651 -0.574 -5.405 1.00 0.00 ? 18 GLU B C 21 ATOM 29360 O O . GLU B 1 18 ? 3.586 -0.227 -5.918 1.00 0.00 ? 18 GLU B O 21 ATOM 29361 C CB . GLU B 1 18 ? 6.591 0.866 -6.052 1.00 0.00 ? 18 GLU B CB 21 ATOM 29362 C CG . GLU B 1 18 ? 5.924 1.740 -7.102 1.00 0.00 ? 18 GLU B CG 21 ATOM 29363 C CD . GLU B 1 18 ? 5.001 0.955 -8.013 1.00 0.00 ? 18 GLU B CD 21 ATOM 29364 O OE1 . GLU B 1 18 ? 5.289 -0.234 -8.269 1.00 0.00 ? 18 GLU B OE1 21 ATOM 29365 O OE2 . GLU B 1 18 ? 3.989 1.528 -8.470 1.00 0.00 ? 18 GLU B OE2 21 ATOM 29366 H H . GLU B 1 18 ? 7.344 -0.371 -3.943 1.00 0.00 ? 18 GLU B H 21 ATOM 29367 H HA . GLU B 1 18 ? 5.121 1.330 -4.565 1.00 0.00 ? 18 GLU B HA 21 ATOM 29368 H HB2 . GLU B 1 18 ? 7.427 1.411 -5.640 1.00 0.00 ? 18 GLU B HB2 21 ATOM 29369 H HB3 . GLU B 1 18 ? 6.958 -0.026 -6.538 1.00 0.00 ? 18 GLU B HB3 21 ATOM 29370 H HG2 . GLU B 1 18 ? 5.348 2.504 -6.603 1.00 0.00 ? 18 GLU B HG2 21 ATOM 29371 H HG3 . GLU B 1 18 ? 6.690 2.206 -7.704 1.00 0.00 ? 18 GLU B HG3 21 ATOM 29372 N N . ARG B 1 19 ? 4.995 -1.847 -5.240 1.00 0.00 ? 19 ARG B N 21 ATOM 29373 C CA . ARG B 1 19 ? 4.124 -2.935 -5.664 1.00 0.00 ? 19 ARG B CA 21 ATOM 29374 C C . ARG B 1 19 ? 2.932 -3.067 -4.724 1.00 0.00 ? 19 ARG B C 21 ATOM 29375 O O . ARG B 1 19 ? 1.793 -3.222 -5.167 1.00 0.00 ? 19 ARG B O 21 ATOM 29376 C CB . ARG B 1 19 ? 4.900 -4.252 -5.712 1.00 0.00 ? 19 ARG B CB 21 ATOM 29377 C CG . ARG B 1 19 ? 4.030 -5.461 -6.013 1.00 0.00 ? 19 ARG B CG 21 ATOM 29378 C CD . ARG B 1 19 ? 4.839 -6.591 -6.630 1.00 0.00 ? 19 ARG B CD 21 ATOM 29379 N NE . ARG B 1 19 ? 5.394 -7.484 -5.618 1.00 0.00 ? 19 ARG B NE 21 ATOM 29380 C CZ . ARG B 1 19 ? 4.677 -8.395 -4.968 1.00 0.00 ? 19 ARG B CZ 21 ATOM 29381 N NH1 . ARG B 1 19 ? 3.384 -8.532 -5.227 1.00 0.00 ? 19 ARG B NH1 21 ATOM 29382 N NH2 . ARG B 1 19 ? 5.254 -9.172 -4.062 1.00 0.00 ? 19 ARG B NH2 21 ATOM 29383 H H . ARG B 1 19 ? 5.855 -2.060 -4.821 1.00 0.00 ? 19 ARG B H 21 ATOM 29384 H HA . ARG B 1 19 ? 3.761 -2.703 -6.654 1.00 0.00 ? 19 ARG B HA 21 ATOM 29385 H HB2 . ARG B 1 19 ? 5.658 -4.182 -6.478 1.00 0.00 ? 19 ARG B HB2 21 ATOM 29386 H HB3 . ARG B 1 19 ? 5.380 -4.410 -4.756 1.00 0.00 ? 19 ARG B HB3 21 ATOM 29387 H HG2 . ARG B 1 19 ? 3.586 -5.812 -5.092 1.00 0.00 ? 19 ARG B HG2 21 ATOM 29388 H HG3 . ARG B 1 19 ? 3.250 -5.169 -6.701 1.00 0.00 ? 19 ARG B HG3 21 ATOM 29389 H HD2 . ARG B 1 19 ? 4.196 -7.159 -7.285 1.00 0.00 ? 19 ARG B HD2 21 ATOM 29390 H HD3 . ARG B 1 19 ? 5.648 -6.164 -7.204 1.00 0.00 ? 19 ARG B HD3 21 ATOM 29391 H HE . ARG B 1 19 ? 6.347 -7.399 -5.412 1.00 0.00 ? 19 ARG B HE 21 ATOM 29392 H HH11 . ARG B 1 19 ? 2.946 -7.949 -5.910 1.00 0.00 ? 19 ARG B HH11 21 ATOM 29393 H HH12 . ARG B 1 19 ? 2.846 -9.220 -4.738 1.00 0.00 ? 19 ARG B HH12 21 ATOM 29394 H HH21 . ARG B 1 19 ? 6.229 -9.071 -3.865 1.00 0.00 ? 19 ARG B HH21 21 ATOM 29395 H HH22 . ARG B 1 19 ? 4.713 -9.858 -3.574 1.00 0.00 ? 19 ARG B HH22 21 ATOM 29396 N N . LEU B 1 20 ? 3.198 -2.992 -3.423 1.00 0.00 ? 20 LEU B N 21 ATOM 29397 C CA . LEU B 1 20 ? 2.138 -3.094 -2.433 1.00 0.00 ? 20 LEU B CA 21 ATOM 29398 C C . LEU B 1 20 ? 1.206 -1.895 -2.539 1.00 0.00 ? 20 LEU B C 21 ATOM 29399 O O . LEU B 1 20 ? -0.001 -2.012 -2.330 1.00 0.00 ? 20 LEU B O 21 ATOM 29400 C CB . LEU B 1 20 ? 2.730 -3.182 -1.026 1.00 0.00 ? 20 LEU B CB 21 ATOM 29401 C CG . LEU B 1 20 ? 3.703 -4.342 -0.804 1.00 0.00 ? 20 LEU B CG 21 ATOM 29402 C CD1 . LEU B 1 20 ? 4.680 -4.012 0.313 1.00 0.00 ? 20 LEU B CD1 21 ATOM 29403 C CD2 . LEU B 1 20 ? 2.943 -5.622 -0.490 1.00 0.00 ? 20 LEU B CD2 21 ATOM 29404 H H . LEU B 1 20 ? 4.123 -2.856 -3.123 1.00 0.00 ? 20 LEU B H 21 ATOM 29405 H HA . LEU B 1 20 ? 1.577 -3.993 -2.638 1.00 0.00 ? 20 LEU B HA 21 ATOM 29406 H HB2 . LEU B 1 20 ? 3.249 -2.259 -0.818 1.00 0.00 ? 20 LEU B HB2 21 ATOM 29407 H HB3 . LEU B 1 20 ? 1.918 -3.286 -0.323 1.00 0.00 ? 20 LEU B HB3 21 ATOM 29408 H HG . LEU B 1 20 ? 4.273 -4.503 -1.709 1.00 0.00 ? 20 LEU B HG 21 ATOM 29409 H HD11 . LEU B 1 20 ? 4.156 -3.512 1.114 1.00 0.00 ? 20 LEU B HD11 21 ATOM 29410 H HD12 . LEU B 1 20 ? 5.121 -4.924 0.686 1.00 0.00 ? 20 LEU B HD12 21 ATOM 29411 H HD13 . LEU B 1 20 ? 5.458 -3.366 -0.067 1.00 0.00 ? 20 LEU B HD13 21 ATOM 29412 H HD21 . LEU B 1 20 ? 1.918 -5.382 -0.251 1.00 0.00 ? 20 LEU B HD21 21 ATOM 29413 H HD22 . LEU B 1 20 ? 2.969 -6.275 -1.349 1.00 0.00 ? 20 LEU B HD22 21 ATOM 29414 H HD23 . LEU B 1 20 ? 3.404 -6.116 0.353 1.00 0.00 ? 20 LEU B HD23 21 ATOM 29415 N N . GLN B 1 21 ? 1.778 -0.742 -2.872 1.00 0.00 ? 21 GLN B N 21 ATOM 29416 C CA . GLN B 1 21 ? 1.003 0.483 -3.015 1.00 0.00 ? 21 GLN B CA 21 ATOM 29417 C C . GLN B 1 21 ? -0.014 0.345 -4.144 1.00 0.00 ? 21 GLN B C 21 ATOM 29418 O O . GLN B 1 21 ? -1.171 0.733 -3.999 1.00 0.00 ? 21 GLN B O 21 ATOM 29419 C CB . GLN B 1 21 ? 1.928 1.671 -3.287 1.00 0.00 ? 21 GLN B CB 21 ATOM 29420 C CG . GLN B 1 21 ? 1.217 3.014 -3.263 1.00 0.00 ? 21 GLN B CG 21 ATOM 29421 C CD . GLN B 1 21 ? 1.784 3.954 -2.217 1.00 0.00 ? 21 GLN B CD 21 ATOM 29422 O OE1 . GLN B 1 21 ? 1.042 4.564 -1.447 1.00 0.00 ? 21 GLN B OE1 21 ATOM 29423 N NE2 . GLN B 1 21 ? 3.106 4.078 -2.188 1.00 0.00 ? 21 GLN B NE2 21 ATOM 29424 H H . GLN B 1 21 ? 2.746 -0.715 -3.029 1.00 0.00 ? 21 GLN B H 21 ATOM 29425 H HA . GLN B 1 21 ? 0.474 0.652 -2.089 1.00 0.00 ? 21 GLN B HA 21 ATOM 29426 H HB2 . GLN B 1 21 ? 2.705 1.685 -2.537 1.00 0.00 ? 21 GLN B HB2 21 ATOM 29427 H HB3 . GLN B 1 21 ? 2.381 1.545 -4.259 1.00 0.00 ? 21 GLN B HB3 21 ATOM 29428 H HG2 . GLN B 1 21 ? 1.316 3.476 -4.233 1.00 0.00 ? 21 GLN B HG2 21 ATOM 29429 H HG3 . GLN B 1 21 ? 0.171 2.849 -3.049 1.00 0.00 ? 21 GLN B HG3 21 ATOM 29430 H HE21 . GLN B 1 21 ? 3.634 3.563 -2.833 1.00 0.00 ? 21 GLN B HE21 21 ATOM 29431 H HE22 . GLN B 1 21 ? 3.499 4.680 -1.522 1.00 0.00 ? 21 GLN B HE22 21 ATOM 29432 N N . LYS B 1 22 ? 0.426 -0.214 -5.267 1.00 0.00 ? 22 LYS B N 21 ATOM 29433 C CA . LYS B 1 22 ? -0.452 -0.405 -6.413 1.00 0.00 ? 22 LYS B CA 21 ATOM 29434 C C . LYS B 1 22 ? -1.653 -1.265 -6.032 1.00 0.00 ? 22 LYS B C 21 ATOM 29435 O O . LYS B 1 22 ? -2.795 -0.938 -6.356 1.00 0.00 ? 22 LYS B O 21 ATOM 29436 C CB . LYS B 1 22 ? 0.312 -1.057 -7.567 1.00 0.00 ? 22 LYS B CB 21 ATOM 29437 C CG . LYS B 1 22 ? 0.729 -0.077 -8.651 1.00 0.00 ? 22 LYS B CG 21 ATOM 29438 C CD . LYS B 1 22 ? 2.012 -0.519 -9.337 1.00 0.00 ? 22 LYS B CD 21 ATOM 29439 C CE . LYS B 1 22 ? 1.882 -1.921 -9.910 1.00 0.00 ? 22 LYS B CE 21 ATOM 29440 N NZ . LYS B 1 22 ? 1.127 -1.930 -11.193 1.00 0.00 ? 22 LYS B NZ 21 ATOM 29441 H H . LYS B 1 22 ? 1.361 -0.508 -5.323 1.00 0.00 ? 22 LYS B H 21 ATOM 29442 H HA . LYS B 1 22 ? -0.805 0.566 -6.729 1.00 0.00 ? 22 LYS B HA 21 ATOM 29443 H HB2 . LYS B 1 22 ? 1.203 -1.526 -7.174 1.00 0.00 ? 22 LYS B HB2 21 ATOM 29444 H HB3 . LYS B 1 22 ? -0.314 -1.814 -8.017 1.00 0.00 ? 22 LYS B HB3 21 ATOM 29445 H HG2 . LYS B 1 22 ? -0.057 -0.014 -9.388 1.00 0.00 ? 22 LYS B HG2 21 ATOM 29446 H HG3 . LYS B 1 22 ? 0.886 0.893 -8.204 1.00 0.00 ? 22 LYS B HG3 21 ATOM 29447 H HD2 . LYS B 1 22 ? 2.233 0.168 -10.141 1.00 0.00 ? 22 LYS B HD2 21 ATOM 29448 H HD3 . LYS B 1 22 ? 2.816 -0.506 -8.617 1.00 0.00 ? 22 LYS B HD3 21 ATOM 29449 H HE2 . LYS B 1 22 ? 2.872 -2.318 -10.083 1.00 0.00 ? 22 LYS B HE2 21 ATOM 29450 H HE3 . LYS B 1 22 ? 1.367 -2.542 -9.194 1.00 0.00 ? 22 LYS B HE3 21 ATOM 29451 H HZ1 . LYS B 1 22 ? 0.473 -1.122 -11.229 1.00 0.00 ? 22 LYS B HZ1 21 ATOM 29452 H HZ2 . LYS B 1 22 ? 1.786 -1.865 -11.996 1.00 0.00 ? 22 LYS B HZ2 21 ATOM 29453 H HZ3 . LYS B 1 22 ? 0.579 -2.809 -11.279 1.00 0.00 ? 22 LYS B HZ3 21 ATOM 29454 N N . GLU B 1 23 ? -1.385 -2.367 -5.338 1.00 0.00 ? 23 GLU B N 21 ATOM 29455 C CA . GLU B 1 23 ? -2.442 -3.276 -4.908 1.00 0.00 ? 23 GLU B CA 21 ATOM 29456 C C . GLU B 1 23 ? -3.473 -2.549 -4.049 1.00 0.00 ? 23 GLU B C 21 ATOM 29457 O O . GLU B 1 23 ? -4.680 -2.733 -4.219 1.00 0.00 ? 23 GLU B O 21 ATOM 29458 C CB . GLU B 1 23 ? -1.847 -4.450 -4.128 1.00 0.00 ? 23 GLU B CB 21 ATOM 29459 C CG . GLU B 1 23 ? -2.552 -5.771 -4.386 1.00 0.00 ? 23 GLU B CG 21 ATOM 29460 C CD . GLU B 1 23 ? -1.623 -6.962 -4.256 1.00 0.00 ? 23 GLU B CD 21 ATOM 29461 O OE1 . GLU B 1 23 ? -0.912 -7.051 -3.234 1.00 0.00 ? 23 GLU B OE1 21 ATOM 29462 O OE2 . GLU B 1 23 ? -1.607 -7.806 -5.177 1.00 0.00 ? 23 GLU B OE2 21 ATOM 29463 H H . GLU B 1 23 ? -0.453 -2.573 -5.109 1.00 0.00 ? 23 GLU B H 21 ATOM 29464 H HA . GLU B 1 23 ? -2.931 -3.654 -5.792 1.00 0.00 ? 23 GLU B HA 21 ATOM 29465 H HB2 . GLU B 1 23 ? -0.809 -4.560 -4.403 1.00 0.00 ? 23 GLU B HB2 21 ATOM 29466 H HB3 . GLU B 1 23 ? -1.909 -4.232 -3.072 1.00 0.00 ? 23 GLU B HB3 21 ATOM 29467 H HG2 . GLU B 1 23 ? -3.356 -5.881 -3.673 1.00 0.00 ? 23 GLU B HG2 21 ATOM 29468 H HG3 . GLU B 1 23 ? -2.960 -5.758 -5.386 1.00 0.00 ? 23 GLU B HG3 21 ATOM 29469 N N . ILE B 1 24 ? -2.993 -1.721 -3.126 1.00 0.00 ? 24 ILE B N 21 ATOM 29470 C CA . ILE B 1 24 ? -3.884 -0.971 -2.248 1.00 0.00 ? 24 ILE B CA 21 ATOM 29471 C C . ILE B 1 24 ? -4.748 -0.012 -3.067 1.00 0.00 ? 24 ILE B C 21 ATOM 29472 O O . ILE B 1 24 ? -5.889 0.278 -2.707 1.00 0.00 ? 24 ILE B O 21 ATOM 29473 C CB . ILE B 1 24 ? -3.108 -0.210 -1.126 1.00 0.00 ? 24 ILE B CB 21 ATOM 29474 C CG1 . ILE B 1 24 ? -2.716 1.217 -1.539 1.00 0.00 ? 24 ILE B CG1 21 ATOM 29475 C CG2 . ILE B 1 24 ? -1.866 -0.985 -0.715 1.00 0.00 ? 24 ILE B CG2 21 ATOM 29476 C CD1 . ILE B 1 24 ? -3.629 2.273 -0.957 1.00 0.00 ? 24 ILE B CD1 21 ATOM 29477 H H . ILE B 1 24 ? -2.024 -1.611 -3.039 1.00 0.00 ? 24 ILE B H 21 ATOM 29478 H HA . ILE B 1 24 ? -4.538 -1.689 -1.767 1.00 0.00 ? 24 ILE B HA 21 ATOM 29479 H HB . ILE B 1 24 ? -3.755 -0.154 -0.263 1.00 0.00 ? 24 ILE B HB 21 ATOM 29480 H HG12 . ILE B 1 24 ? -1.712 1.422 -1.200 1.00 0.00 ? 24 ILE B HG12 21 ATOM 29481 H HG13 . ILE B 1 24 ? -2.753 1.301 -2.614 1.00 0.00 ? 24 ILE B HG13 21 ATOM 29482 H HG21 . ILE B 1 24 ? -1.916 -1.984 -1.119 1.00 0.00 ? 24 ILE B HG21 21 ATOM 29483 H HG22 . ILE B 1 24 ? -0.988 -0.485 -1.096 1.00 0.00 ? 24 ILE B HG22 21 ATOM 29484 H HG23 . ILE B 1 24 ? -1.815 -1.034 0.360 1.00 0.00 ? 24 ILE B HG23 21 ATOM 29485 H HD11 . ILE B 1 24 ? -4.324 1.807 -0.271 1.00 0.00 ? 24 ILE B HD11 21 ATOM 29486 H HD12 . ILE B 1 24 ? -3.039 3.007 -0.427 1.00 0.00 ? 24 ILE B HD12 21 ATOM 29487 H HD13 . ILE B 1 24 ? -4.176 2.757 -1.753 1.00 0.00 ? 24 ILE B HD13 21 ATOM 29488 N N . GLU B 1 25 ? -4.189 0.468 -4.176 1.00 0.00 ? 25 GLU B N 21 ATOM 29489 C CA . GLU B 1 25 ? -4.899 1.383 -5.056 1.00 0.00 ? 25 GLU B CA 21 ATOM 29490 C C . GLU B 1 25 ? -6.146 0.712 -5.613 1.00 0.00 ? 25 GLU B C 21 ATOM 29491 O O . GLU B 1 25 ? -7.229 1.297 -5.617 1.00 0.00 ? 25 GLU B O 21 ATOM 29492 C CB . GLU B 1 25 ? -3.991 1.835 -6.202 1.00 0.00 ? 25 GLU B CB 21 ATOM 29493 C CG . GLU B 1 25 ? -4.535 3.025 -6.976 1.00 0.00 ? 25 GLU B CG 21 ATOM 29494 C CD . GLU B 1 25 ? -3.463 3.742 -7.773 1.00 0.00 ? 25 GLU B CD 21 ATOM 29495 O OE1 . GLU B 1 25 ? -2.280 3.358 -7.656 1.00 0.00 ? 25 GLU B OE1 21 ATOM 29496 O OE2 . GLU B 1 25 ? -3.805 4.688 -8.512 1.00 0.00 ? 25 GLU B OE2 21 ATOM 29497 H H . GLU B 1 25 ? -3.278 0.191 -4.408 1.00 0.00 ? 25 GLU B H 21 ATOM 29498 H HA . GLU B 1 25 ? -5.193 2.244 -4.476 1.00 0.00 ? 25 GLU B HA 21 ATOM 29499 H HB2 . GLU B 1 25 ? -3.028 2.106 -5.796 1.00 0.00 ? 25 GLU B HB2 21 ATOM 29500 H HB3 . GLU B 1 25 ? -3.863 1.013 -6.890 1.00 0.00 ? 25 GLU B HB3 21 ATOM 29501 H HG2 . GLU B 1 25 ? -5.296 2.677 -7.658 1.00 0.00 ? 25 GLU B HG2 21 ATOM 29502 H HG3 . GLU B 1 25 ? -4.972 3.723 -6.277 1.00 0.00 ? 25 GLU B HG3 21 ATOM 29503 N N . ARG B 1 26 ? -5.989 -0.526 -6.070 1.00 0.00 ? 26 ARG B N 21 ATOM 29504 C CA . ARG B 1 26 ? -7.108 -1.283 -6.613 1.00 0.00 ? 26 ARG B CA 21 ATOM 29505 C C . ARG B 1 26 ? -8.219 -1.390 -5.576 1.00 0.00 ? 26 ARG B C 21 ATOM 29506 O O . ARG B 1 26 ? -9.386 -1.117 -5.866 1.00 0.00 ? 26 ARG B O 21 ATOM 29507 C CB . ARG B 1 26 ? -6.653 -2.679 -7.043 1.00 0.00 ? 26 ARG B CB 21 ATOM 29508 C CG . ARG B 1 26 ? -7.650 -3.396 -7.938 1.00 0.00 ? 26 ARG B CG 21 ATOM 29509 C CD . ARG B 1 26 ? -7.391 -4.893 -7.972 1.00 0.00 ? 26 ARG B CD 21 ATOM 29510 N NE . ARG B 1 26 ? -6.928 -5.338 -9.284 1.00 0.00 ? 26 ARG B NE 21 ATOM 29511 C CZ . ARG B 1 26 ? -7.739 -5.565 -10.312 1.00 0.00 ? 26 ARG B CZ 21 ATOM 29512 N NH1 . ARG B 1 26 ? -9.046 -5.390 -10.180 1.00 0.00 ? 26 ARG B NH1 21 ATOM 29513 N NH2 . ARG B 1 26 ? -7.242 -5.968 -11.474 1.00 0.00 ? 26 ARG B NH2 21 ATOM 29514 H H . ARG B 1 26 ? -5.101 -0.943 -6.031 1.00 0.00 ? 26 ARG B H 21 ATOM 29515 H HA . ARG B 1 26 ? -7.484 -0.752 -7.476 1.00 0.00 ? 26 ARG B HA 21 ATOM 29516 H HB2 . ARG B 1 26 ? -5.718 -2.591 -7.578 1.00 0.00 ? 26 ARG B HB2 21 ATOM 29517 H HB3 . ARG B 1 26 ? -6.496 -3.281 -6.160 1.00 0.00 ? 26 ARG B HB3 21 ATOM 29518 H HG2 . ARG B 1 26 ? -8.647 -3.222 -7.562 1.00 0.00 ? 26 ARG B HG2 21 ATOM 29519 H HG3 . ARG B 1 26 ? -7.567 -3.001 -8.940 1.00 0.00 ? 26 ARG B HG3 21 ATOM 29520 H HD2 . ARG B 1 26 ? -6.639 -5.133 -7.236 1.00 0.00 ? 26 ARG B HD2 21 ATOM 29521 H HD3 . ARG B 1 26 ? -8.309 -5.410 -7.730 1.00 0.00 ? 26 ARG B HD3 21 ATOM 29522 H HE . ARG B 1 26 ? -5.965 -5.474 -9.404 1.00 0.00 ? 26 ARG B HE 21 ATOM 29523 H HH11 . ARG B 1 26 ? -9.424 -5.086 -9.305 1.00 0.00 ? 26 ARG B HH11 21 ATOM 29524 H HH12 . ARG B 1 26 ? -9.655 -5.562 -10.956 1.00 0.00 ? 26 ARG B HH12 21 ATOM 29525 H HH21 . ARG B 1 26 ? -6.256 -6.101 -11.577 1.00 0.00 ? 26 ARG B HH21 21 ATOM 29526 H HH22 . ARG B 1 26 ? -7.853 -6.139 -12.247 1.00 0.00 ? 26 ARG B HH22 21 ATOM 29527 N N . HIS B 1 27 ? -7.845 -1.777 -4.360 1.00 0.00 ? 27 HIS B N 21 ATOM 29528 C CA . HIS B 1 27 ? -8.807 -1.905 -3.274 1.00 0.00 ? 27 HIS B CA 21 ATOM 29529 C C . HIS B 1 27 ? -9.410 -0.546 -2.927 1.00 0.00 ? 27 HIS B C 21 ATOM 29530 O O . HIS B 1 27 ? -10.502 -0.466 -2.364 1.00 0.00 ? 27 HIS B O 21 ATOM 29531 C CB . HIS B 1 27 ? -8.138 -2.511 -2.038 1.00 0.00 ? 27 HIS B CB 21 ATOM 29532 C CG . HIS B 1 27 ? -8.694 -3.848 -1.654 1.00 0.00 ? 27 HIS B CG 21 ATOM 29533 N ND1 . HIS B 1 27 ? -9.969 -4.019 -1.156 1.00 0.00 ? 27 HIS B ND1 21 ATOM 29534 C CD2 . HIS B 1 27 ? -8.139 -5.083 -1.695 1.00 0.00 ? 27 HIS B CD2 21 ATOM 29535 C CE1 . HIS B 1 27 ? -10.174 -5.301 -0.907 1.00 0.00 ? 27 HIS B CE1 21 ATOM 29536 N NE2 . HIS B 1 27 ? -9.080 -5.966 -1.227 1.00 0.00 ? 27 HIS B NE2 21 ATOM 29537 H H . HIS B 1 27 ? -6.897 -1.971 -4.186 1.00 0.00 ? 27 HIS B H 21 ATOM 29538 H HA . HIS B 1 27 ? -9.597 -2.562 -3.606 1.00 0.00 ? 27 HIS B HA 21 ATOM 29539 H HB2 . HIS B 1 27 ? -7.084 -2.635 -2.233 1.00 0.00 ? 27 HIS B HB2 21 ATOM 29540 H HB3 . HIS B 1 27 ? -8.271 -1.842 -1.202 1.00 0.00 ? 27 HIS B HB3 21 ATOM 29541 H HD1 . HIS B 1 27 ? -10.625 -3.306 -1.006 1.00 0.00 ? 27 HIS B HD1 21 ATOM 29542 H HD2 . HIS B 1 27 ? -7.143 -5.327 -2.034 1.00 0.00 ? 27 HIS B HD2 21 ATOM 29543 H HE1 . HIS B 1 27 ? -11.083 -5.730 -0.511 1.00 0.00 ? 27 HIS B HE1 21 ATOM 29544 H HE2 . HIS B 1 27 ? -8.962 -6.936 -1.141 1.00 0.00 ? 27 HIS B HE2 21 ATOM 29545 N N . LYS B 1 28 ? -8.690 0.521 -3.268 1.00 0.00 ? 28 LYS B N 21 ATOM 29546 C CA . LYS B 1 28 ? -9.152 1.876 -2.995 1.00 0.00 ? 28 LYS B CA 21 ATOM 29547 C C . LYS B 1 28 ? -10.214 2.301 -4.003 1.00 0.00 ? 28 LYS B C 21 ATOM 29548 O O . LYS B 1 28 ? -11.098 3.096 -3.688 1.00 0.00 ? 28 LYS B O 21 ATOM 29549 C CB . LYS B 1 28 ? -7.977 2.855 -3.038 1.00 0.00 ? 28 LYS B CB 21 ATOM 29550 C CG . LYS B 1 28 ? -8.304 4.225 -2.464 1.00 0.00 ? 28 LYS B CG 21 ATOM 29551 C CD . LYS B 1 28 ? -8.812 5.172 -3.540 1.00 0.00 ? 28 LYS B CD 21 ATOM 29552 C CE . LYS B 1 28 ? -7.766 5.402 -4.619 1.00 0.00 ? 28 LYS B CE 21 ATOM 29553 N NZ . LYS B 1 28 ? -7.337 6.826 -4.683 1.00 0.00 ? 28 LYS B NZ 21 ATOM 29554 H H . LYS B 1 28 ? -7.828 0.394 -3.715 1.00 0.00 ? 28 LYS B H 21 ATOM 29555 H HA . LYS B 1 28 ? -9.585 1.887 -2.007 1.00 0.00 ? 28 LYS B HA 21 ATOM 29556 H HB2 . LYS B 1 28 ? -7.156 2.439 -2.475 1.00 0.00 ? 28 LYS B HB2 21 ATOM 29557 H HB3 . LYS B 1 28 ? -7.668 2.984 -4.065 1.00 0.00 ? 28 LYS B HB3 21 ATOM 29558 H HG2 . LYS B 1 28 ? -9.065 4.116 -1.707 1.00 0.00 ? 28 LYS B HG2 21 ATOM 29559 H HG3 . LYS B 1 28 ? -7.411 4.642 -2.023 1.00 0.00 ? 28 LYS B HG3 21 ATOM 29560 H HD2 . LYS B 1 28 ? -9.695 4.746 -3.993 1.00 0.00 ? 28 LYS B HD2 21 ATOM 29561 H HD3 . LYS B 1 28 ? -9.060 6.119 -3.083 1.00 0.00 ? 28 LYS B HD3 21 ATOM 29562 H HE2 . LYS B 1 28 ? -6.906 4.785 -4.406 1.00 0.00 ? 28 LYS B HE2 21 ATOM 29563 H HE3 . LYS B 1 28 ? -8.184 5.117 -5.574 1.00 0.00 ? 28 LYS B HE3 21 ATOM 29564 H HZ1 . LYS B 1 28 ? -7.431 7.270 -3.747 1.00 0.00 ? 28 LYS B HZ1 21 ATOM 29565 H HZ2 . LYS B 1 28 ? -6.343 6.887 -4.984 1.00 0.00 ? 28 LYS B HZ2 21 ATOM 29566 H HZ3 . LYS B 1 28 ? -7.927 7.347 -5.363 1.00 0.00 ? 28 LYS B HZ3 21 ATOM 29567 N N . GLN B 1 29 ? -10.120 1.767 -5.215 1.00 0.00 ? 29 GLN B N 21 ATOM 29568 C CA . GLN B 1 29 ? -11.076 2.090 -6.266 1.00 0.00 ? 29 GLN B CA 21 ATOM 29569 C C . GLN B 1 29 ? -12.408 1.398 -6.010 1.00 0.00 ? 29 GLN B C 21 ATOM 29570 O O . GLN B 1 29 ? -13.472 1.957 -6.274 1.00 0.00 ? 29 GLN B O 21 ATOM 29571 C CB . GLN B 1 29 ? -10.525 1.678 -7.632 1.00 0.00 ? 29 GLN B CB 21 ATOM 29572 C CG . GLN B 1 29 ? -11.512 1.878 -8.771 1.00 0.00 ? 29 GLN B CG 21 ATOM 29573 C CD . GLN B 1 29 ? -11.897 0.575 -9.445 1.00 0.00 ? 29 GLN B CD 21 ATOM 29574 O OE1 . GLN B 1 29 ? -12.548 -0.279 -8.844 1.00 0.00 ? 29 GLN B OE1 21 ATOM 29575 N NE2 . GLN B 1 29 ? -11.493 0.416 -10.700 1.00 0.00 ? 29 GLN B NE2 21 ATOM 29576 H H . GLN B 1 29 ? -9.394 1.137 -5.406 1.00 0.00 ? 29 GLN B H 21 ATOM 29577 H HA . GLN B 1 29 ? -11.230 3.159 -6.256 1.00 0.00 ? 29 GLN B HA 21 ATOM 29578 H HB2 . GLN B 1 29 ? -9.642 2.262 -7.844 1.00 0.00 ? 29 GLN B HB2 21 ATOM 29579 H HB3 . GLN B 1 29 ? -10.255 0.632 -7.599 1.00 0.00 ? 29 GLN B HB3 21 ATOM 29580 H HG2 . GLN B 1 29 ? -12.405 2.340 -8.379 1.00 0.00 ? 29 GLN B HG2 21 ATOM 29581 H HG3 . GLN B 1 29 ? -11.065 2.529 -9.508 1.00 0.00 ? 29 GLN B HG3 21 ATOM 29582 H HE21 . GLN B 1 29 ? -10.977 1.139 -11.115 1.00 0.00 ? 29 GLN B HE21 21 ATOM 29583 H HE22 . GLN B 1 29 ? -11.727 -0.416 -11.161 1.00 0.00 ? 29 GLN B HE22 21 ATOM 29584 N N . SER B 1 30 ? -12.341 0.176 -5.491 1.00 0.00 ? 30 SER B N 21 ATOM 29585 C CA . SER B 1 30 ? -13.542 -0.593 -5.196 1.00 0.00 ? 30 SER B CA 21 ATOM 29586 C C . SER B 1 30 ? -14.245 -0.047 -3.958 1.00 0.00 ? 30 SER B C 21 ATOM 29587 O O . SER B 1 30 ? -15.471 0.074 -3.932 1.00 0.00 ? 30 SER B O 21 ATOM 29588 C CB . SER B 1 30 ? -13.193 -2.067 -4.991 1.00 0.00 ? 30 SER B CB 21 ATOM 29589 O OG . SER B 1 30 ? -13.118 -2.751 -6.230 1.00 0.00 ? 30 SER B OG 21 ATOM 29590 H H . SER B 1 30 ? -11.461 -0.216 -5.302 1.00 0.00 ? 30 SER B H 21 ATOM 29591 H HA . SER B 1 30 ? -14.208 -0.503 -6.041 1.00 0.00 ? 30 SER B HA 21 ATOM 29592 H HB2 . SER B 1 30 ? -12.237 -2.144 -4.495 1.00 0.00 ? 30 SER B HB2 21 ATOM 29593 H HB3 . SER B 1 30 ? -13.953 -2.534 -4.382 1.00 0.00 ? 30 SER B HB3 21 ATOM 29594 H HG . SER B 1 30 ? -12.286 -3.226 -6.285 1.00 0.00 ? 30 SER B HG 21 ATOM 29595 N N . ILE B 1 31 ? -13.466 0.284 -2.933 1.00 0.00 ? 31 ILE B N 21 ATOM 29596 C CA . ILE B 1 31 ? -14.021 0.817 -1.697 1.00 0.00 ? 31 ILE B CA 21 ATOM 29597 C C . ILE B 1 31 ? -14.416 2.283 -1.857 1.00 0.00 ? 31 ILE B C 21 ATOM 29598 O O . ILE B 1 31 ? -15.247 2.796 -1.108 1.00 0.00 ? 31 ILE B O 21 ATOM 29599 C CB . ILE B 1 31 ? -13.025 0.670 -0.531 1.00 0.00 ? 31 ILE B CB 21 ATOM 29600 C CG1 . ILE B 1 31 ? -13.740 0.921 0.814 1.00 0.00 ? 31 ILE B CG1 21 ATOM 29601 C CG2 . ILE B 1 31 ? -11.818 1.585 -0.737 1.00 0.00 ? 31 ILE B CG2 21 ATOM 29602 C CD1 . ILE B 1 31 ? -13.433 2.248 1.485 1.00 0.00 ? 31 ILE B CD1 21 ATOM 29603 H H . ILE B 1 31 ? -12.494 0.167 -3.009 1.00 0.00 ? 31 ILE B H 21 ATOM 29604 H HA . ILE B 1 31 ? -14.905 0.244 -1.458 1.00 0.00 ? 31 ILE B HA 21 ATOM 29605 H HB . ILE B 1 31 ? -12.662 -0.346 -0.542 1.00 0.00 ? 31 ILE B HB 21 ATOM 29606 H HG12 . ILE B 1 31 ? -14.807 0.882 0.652 1.00 0.00 ? 31 ILE B HG12 21 ATOM 29607 H HG13 . ILE B 1 31 ? -13.466 0.135 1.502 1.00 0.00 ? 31 ILE B HG13 21 ATOM 29608 H HG21 . ILE B 1 31 ? -11.482 1.513 -1.761 1.00 0.00 ? 31 ILE B HG21 21 ATOM 29609 H HG22 . ILE B 1 31 ? -12.099 2.606 -0.523 1.00 0.00 ? 31 ILE B HG22 21 ATOM 29610 H HG23 . ILE B 1 31 ? -11.020 1.285 -0.075 1.00 0.00 ? 31 ILE B HG23 21 ATOM 29611 H HD11 . ILE B 1 31 ? -13.513 3.044 0.761 1.00 0.00 ? 31 ILE B HD11 21 ATOM 29612 H HD12 . ILE B 1 31 ? -14.136 2.417 2.287 1.00 0.00 ? 31 ILE B HD12 21 ATOM 29613 H HD13 . ILE B 1 31 ? -12.430 2.224 1.885 1.00 0.00 ? 31 ILE B HD13 21 ATOM 29614 N N . LYS B 1 32 ? -13.822 2.949 -2.843 1.00 0.00 ? 32 LYS B N 21 ATOM 29615 C CA . LYS B 1 32 ? -14.122 4.350 -3.104 1.00 0.00 ? 32 LYS B CA 21 ATOM 29616 C C . LYS B 1 32 ? -15.371 4.474 -3.967 1.00 0.00 ? 32 LYS B C 21 ATOM 29617 O O . LYS B 1 32 ? -16.098 5.465 -3.890 1.00 0.00 ? 32 LYS B O 21 ATOM 29618 C CB . LYS B 1 32 ? -12.939 5.032 -3.794 1.00 0.00 ? 32 LYS B CB 21 ATOM 29619 C CG . LYS B 1 32 ? -13.201 6.484 -4.158 1.00 0.00 ? 32 LYS B CG 21 ATOM 29620 C CD . LYS B 1 32 ? -12.474 6.879 -5.433 1.00 0.00 ? 32 LYS B CD 21 ATOM 29621 C CE . LYS B 1 32 ? -10.968 6.740 -5.282 1.00 0.00 ? 32 LYS B CE 21 ATOM 29622 N NZ . LYS B 1 32 ? -10.248 7.948 -5.768 1.00 0.00 ? 32 LYS B NZ 21 ATOM 29623 H H . LYS B 1 32 ? -13.174 2.487 -3.413 1.00 0.00 ? 32 LYS B H 21 ATOM 29624 H HA . LYS B 1 32 ? -14.304 4.834 -2.156 1.00 0.00 ? 32 LYS B HA 21 ATOM 29625 H HB2 . LYS B 1 32 ? -12.084 4.996 -3.136 1.00 0.00 ? 32 LYS B HB2 21 ATOM 29626 H HB3 . LYS B 1 32 ? -12.707 4.492 -4.701 1.00 0.00 ? 32 LYS B HB3 21 ATOM 29627 H HG2 . LYS B 1 32 ? -14.262 6.624 -4.302 1.00 0.00 ? 32 LYS B HG2 21 ATOM 29628 H HG3 . LYS B 1 32 ? -12.860 7.114 -3.350 1.00 0.00 ? 32 LYS B HG3 21 ATOM 29629 H HD2 . LYS B 1 32 ? -12.807 6.241 -6.238 1.00 0.00 ? 32 LYS B HD2 21 ATOM 29630 H HD3 . LYS B 1 32 ? -12.711 7.907 -5.667 1.00 0.00 ? 32 LYS B HD3 21 ATOM 29631 H HE2 . LYS B 1 32 ? -10.736 6.588 -4.239 1.00 0.00 ? 32 LYS B HE2 21 ATOM 29632 H HE3 . LYS B 1 32 ? -10.641 5.882 -5.852 1.00 0.00 ? 32 LYS B HE3 21 ATOM 29633 H HZ1 . LYS B 1 32 ? -10.927 8.699 -6.004 1.00 0.00 ? 32 LYS B HZ1 21 ATOM 29634 H HZ2 . LYS B 1 32 ? -9.602 8.300 -5.032 1.00 0.00 ? 32 LYS B HZ2 21 ATOM 29635 H HZ3 . LYS B 1 32 ? -9.693 7.717 -6.617 1.00 0.00 ? 32 LYS B HZ3 21 ATOM 29636 N N . LYS B 1 33 ? -15.617 3.457 -4.787 1.00 0.00 ? 33 LYS B N 21 ATOM 29637 C CA . LYS B 1 33 ? -16.782 3.446 -5.663 1.00 0.00 ? 33 LYS B CA 21 ATOM 29638 C C . LYS B 1 33 ? -18.043 3.117 -4.872 1.00 0.00 ? 33 LYS B C 21 ATOM 29639 O O . LYS B 1 33 ? -19.104 3.696 -5.105 1.00 0.00 ? 33 LYS B O 21 ATOM 29640 C CB . LYS B 1 33 ? -16.592 2.429 -6.791 1.00 0.00 ? 33 LYS B CB 21 ATOM 29641 C CG . LYS B 1 33 ? -15.845 2.986 -7.991 1.00 0.00 ? 33 LYS B CG 21 ATOM 29642 C CD . LYS B 1 33 ? -16.801 3.402 -9.098 1.00 0.00 ? 33 LYS B CD 21 ATOM 29643 C CE . LYS B 1 33 ? -17.664 2.239 -9.554 1.00 0.00 ? 33 LYS B CE 21 ATOM 29644 N NZ . LYS B 1 33 ? -17.913 2.274 -11.023 1.00 0.00 ? 33 LYS B NZ 21 ATOM 29645 H H . LYS B 1 33 ? -15.003 2.693 -4.800 1.00 0.00 ? 33 LYS B H 21 ATOM 29646 H HA . LYS B 1 33 ? -16.887 4.431 -6.090 1.00 0.00 ? 33 LYS B HA 21 ATOM 29647 H HB2 . LYS B 1 33 ? -16.038 1.584 -6.408 1.00 0.00 ? 33 LYS B HB2 21 ATOM 29648 H HB3 . LYS B 1 33 ? -17.563 2.091 -7.122 1.00 0.00 ? 33 LYS B HB3 21 ATOM 29649 H HG2 . LYS B 1 33 ? -15.273 3.847 -7.679 1.00 0.00 ? 33 LYS B HG2 21 ATOM 29650 H HG3 . LYS B 1 33 ? -15.178 2.226 -8.371 1.00 0.00 ? 33 LYS B HG3 21 ATOM 29651 H HD2 . LYS B 1 33 ? -17.440 4.190 -8.730 1.00 0.00 ? 33 LYS B HD2 21 ATOM 29652 H HD3 . LYS B 1 33 ? -16.226 3.764 -9.938 1.00 0.00 ? 33 LYS B HD3 21 ATOM 29653 H HE2 . LYS B 1 33 ? -17.164 1.315 -9.305 1.00 0.00 ? 33 LYS B HE2 21 ATOM 29654 H HE3 . LYS B 1 33 ? -18.611 2.286 -9.036 1.00 0.00 ? 33 LYS B HE3 21 ATOM 29655 H HZ1 . LYS B 1 33 ? -17.699 3.220 -11.398 1.00 0.00 ? 33 LYS B HZ1 21 ATOM 29656 H HZ2 . LYS B 1 33 ? -17.310 1.577 -11.504 1.00 0.00 ? 33 LYS B HZ2 21 ATOM 29657 H HZ3 . LYS B 1 33 ? -18.909 2.049 -11.222 1.00 0.00 ? 33 LYS B HZ3 21 ATOM 29658 N N . LEU B 1 34 ? -17.917 2.187 -3.930 1.00 0.00 ? 34 LEU B N 21 ATOM 29659 C CA . LEU B 1 34 ? -19.045 1.785 -3.099 1.00 0.00 ? 34 LEU B CA 21 ATOM 29660 C C . LEU B 1 34 ? -19.347 2.851 -2.052 1.00 0.00 ? 34 LEU B C 21 ATOM 29661 O O . LEU B 1 34 ? -20.508 3.107 -1.729 1.00 0.00 ? 34 LEU B O 21 ATOM 29662 C CB . LEU B 1 34 ? -18.751 0.448 -2.414 1.00 0.00 ? 34 LEU B CB 21 ATOM 29663 C CG . LEU B 1 34 ? -19.242 -0.788 -3.170 1.00 0.00 ? 34 LEU B CG 21 ATOM 29664 C CD1 . LEU B 1 34 ? -18.423 -2.009 -2.784 1.00 0.00 ? 34 LEU B CD1 21 ATOM 29665 C CD2 . LEU B 1 34 ? -20.720 -1.027 -2.898 1.00 0.00 ? 34 LEU B CD2 21 ATOM 29666 H H . LEU B 1 34 ? -17.044 1.763 -3.788 1.00 0.00 ? 34 LEU B H 21 ATOM 29667 H HA . LEU B 1 34 ? -19.905 1.671 -3.740 1.00 0.00 ? 34 LEU B HA 21 ATOM 29668 H HB2 . LEU B 1 34 ? -17.683 0.363 -2.280 1.00 0.00 ? 34 LEU B HB2 21 ATOM 29669 H HB3 . LEU B 1 34 ? -19.220 0.456 -1.441 1.00 0.00 ? 34 LEU B HB3 21 ATOM 29670 H HG . LEU B 1 34 ? -19.119 -0.625 -4.231 1.00 0.00 ? 34 LEU B HG 21 ATOM 29671 H HD11 . LEU B 1 34 ? -18.449 -2.135 -1.712 1.00 0.00 ? 34 LEU B HD11 21 ATOM 29672 H HD12 . LEU B 1 34 ? -18.837 -2.885 -3.260 1.00 0.00 ? 34 LEU B HD12 21 ATOM 29673 H HD13 . LEU B 1 34 ? -17.401 -1.874 -3.105 1.00 0.00 ? 34 LEU B HD13 21 ATOM 29674 H HD21 . LEU B 1 34 ? -20.889 -1.052 -1.832 1.00 0.00 ? 34 LEU B HD21 21 ATOM 29675 H HD22 . LEU B 1 34 ? -21.300 -0.227 -3.335 1.00 0.00 ? 34 LEU B HD22 21 ATOM 29676 H HD23 . LEU B 1 34 ? -21.018 -1.968 -3.333 1.00 0.00 ? 34 LEU B HD23 21 ATOM 29677 N N . LYS B 1 35 ? -18.296 3.474 -1.529 1.00 0.00 ? 35 LYS B N 21 ATOM 29678 C CA . LYS B 1 35 ? -18.448 4.516 -0.521 1.00 0.00 ? 35 LYS B CA 21 ATOM 29679 C C . LYS B 1 35 ? -18.887 5.827 -1.165 1.00 0.00 ? 35 LYS B C 21 ATOM 29680 O O . LYS B 1 35 ? -19.520 6.665 -0.521 1.00 0.00 ? 35 LYS B O 21 ATOM 29681 C CB . LYS B 1 35 ? -17.134 4.719 0.236 1.00 0.00 ? 35 LYS B CB 21 ATOM 29682 C CG . LYS B 1 35 ? -17.239 5.714 1.380 1.00 0.00 ? 35 LYS B CG 21 ATOM 29683 C CD . LYS B 1 35 ? -15.967 6.531 1.526 1.00 0.00 ? 35 LYS B CD 21 ATOM 29684 C CE . LYS B 1 35 ? -16.049 7.834 0.747 1.00 0.00 ? 35 LYS B CE 21 ATOM 29685 N NZ . LYS B 1 35 ? -14.748 8.559 0.738 1.00 0.00 ? 35 LYS B NZ 21 ATOM 29686 H H . LYS B 1 35 ? -17.396 3.227 -1.829 1.00 0.00 ? 35 LYS B H 21 ATOM 29687 H HA . LYS B 1 35 ? -19.210 4.198 0.174 1.00 0.00 ? 35 LYS B HA 21 ATOM 29688 H HB2 . LYS B 1 35 ? -16.815 3.770 0.640 1.00 0.00 ? 35 LYS B HB2 21 ATOM 29689 H HB3 . LYS B 1 35 ? -16.385 5.077 -0.455 1.00 0.00 ? 35 LYS B HB3 21 ATOM 29690 H HG2 . LYS B 1 35 ? -18.065 6.383 1.187 1.00 0.00 ? 35 LYS B HG2 21 ATOM 29691 H HG3 . LYS B 1 35 ? -17.418 5.174 2.298 1.00 0.00 ? 35 LYS B HG3 21 ATOM 29692 H HD2 . LYS B 1 35 ? -15.813 6.757 2.571 1.00 0.00 ? 35 LYS B HD2 21 ATOM 29693 H HD3 . LYS B 1 35 ? -15.134 5.952 1.155 1.00 0.00 ? 35 LYS B HD3 21 ATOM 29694 H HE2 . LYS B 1 35 ? -16.334 7.613 -0.270 1.00 0.00 ? 35 LYS B HE2 21 ATOM 29695 H HE3 . LYS B 1 35 ? -16.799 8.464 1.203 1.00 0.00 ? 35 LYS B HE3 21 ATOM 29696 H HZ1 . LYS B 1 35 ? -14.208 8.335 1.599 1.00 0.00 ? 35 LYS B HZ1 21 ATOM 29697 H HZ2 . LYS B 1 35 ? -14.188 8.279 -0.092 1.00 0.00 ? 35 LYS B HZ2 21 ATOM 29698 H HZ3 . LYS B 1 35 ? -14.911 9.585 0.702 1.00 0.00 ? 35 LYS B HZ3 21 ATOM 29699 N N . GLN B 1 36 ? -18.547 5.998 -2.438 1.00 0.00 ? 36 GLN B N 21 ATOM 29700 C CA . GLN B 1 36 ? -18.907 7.206 -3.170 1.00 0.00 ? 36 GLN B CA 21 ATOM 29701 C C . GLN B 1 36 ? -20.362 7.151 -3.623 1.00 0.00 ? 36 GLN B C 21 ATOM 29702 O O . GLN B 1 36 ? -21.027 8.180 -3.736 1.00 0.00 ? 36 GLN B O 21 ATOM 29703 C CB . GLN B 1 36 ? -17.989 7.387 -4.381 1.00 0.00 ? 36 GLN B CB 21 ATOM 29704 C CG . GLN B 1 36 ? -18.360 8.576 -5.253 1.00 0.00 ? 36 GLN B CG 21 ATOM 29705 C CD . GLN B 1 36 ? -17.263 9.622 -5.309 1.00 0.00 ? 36 GLN B CD 21 ATOM 29706 O OE1 . GLN B 1 36 ? -16.078 9.292 -5.357 1.00 0.00 ? 36 GLN B OE1 21 ATOM 29707 N NE2 . GLN B 1 36 ? -17.654 10.890 -5.302 1.00 0.00 ? 36 GLN B NE2 21 ATOM 29708 H H . GLN B 1 36 ? -18.043 5.294 -2.897 1.00 0.00 ? 36 GLN B H 21 ATOM 29709 H HA . GLN B 1 36 ? -18.781 8.048 -2.505 1.00 0.00 ? 36 GLN B HA 21 ATOM 29710 H HB2 . GLN B 1 36 ? -16.976 7.525 -4.033 1.00 0.00 ? 36 GLN B HB2 21 ATOM 29711 H HB3 . GLN B 1 36 ? -18.034 6.495 -4.988 1.00 0.00 ? 36 GLN B HB3 21 ATOM 29712 H HG2 . GLN B 1 36 ? -18.553 8.225 -6.255 1.00 0.00 ? 36 GLN B HG2 21 ATOM 29713 H HG3 . GLN B 1 36 ? -19.253 9.034 -4.853 1.00 0.00 ? 36 GLN B HG3 21 ATOM 29714 H HE21 . GLN B 1 36 ? -18.615 11.079 -5.263 1.00 0.00 ? 36 GLN B HE21 21 ATOM 29715 H HE22 . GLN B 1 36 ? -16.966 11.587 -5.339 1.00 0.00 ? 36 GLN B HE22 21 ATOM 29716 N N . SER B 1 37 ? -20.849 5.942 -3.881 1.00 0.00 ? 37 SER B N 21 ATOM 29717 C CA . SER B 1 37 ? -22.226 5.750 -4.321 1.00 0.00 ? 37 SER B CA 21 ATOM 29718 C C . SER B 1 37 ? -23.199 5.948 -3.162 1.00 0.00 ? 37 SER B C 21 ATOM 29719 O O . SER B 1 37 ? -24.362 6.292 -3.368 1.00 0.00 ? 37 SER B O 21 ATOM 29720 C CB . SER B 1 37 ? -22.403 4.353 -4.919 1.00 0.00 ? 37 SER B CB 21 ATOM 29721 O OG . SER B 1 37 ? -21.699 4.226 -6.143 1.00 0.00 ? 37 SER B OG 21 ATOM 29722 H H . SER B 1 37 ? -20.270 5.158 -3.772 1.00 0.00 ? 37 SER B H 21 ATOM 29723 H HA . SER B 1 37 ? -22.436 6.487 -5.082 1.00 0.00 ? 37 SER B HA 21 ATOM 29724 H HB2 . SER B 1 37 ? -22.025 3.617 -4.224 1.00 0.00 ? 37 SER B HB2 21 ATOM 29725 H HB3 . SER B 1 37 ? -23.453 4.172 -5.099 1.00 0.00 ? 37 SER B HB3 21 ATOM 29726 H HG . SER B 1 37 ? -21.680 5.075 -6.592 1.00 0.00 ? 37 SER B HG 21 ATOM 29727 N N . GLU B 1 38 ? -22.712 5.727 -1.945 1.00 0.00 ? 38 GLU B N 21 ATOM 29728 C CA . GLU B 1 38 ? -23.538 5.882 -0.754 1.00 0.00 ? 38 GLU B CA 21 ATOM 29729 C C . GLU B 1 38 ? -23.780 7.357 -0.446 1.00 0.00 ? 38 GLU B C 21 ATOM 29730 O O . GLU B 1 38 ? -24.777 7.714 0.182 1.00 0.00 ? 38 GLU B O 21 ATOM 29731 C CB . GLU B 1 38 ? -22.873 5.202 0.445 1.00 0.00 ? 38 GLU B CB 21 ATOM 29732 C CG . GLU B 1 38 ? -23.816 4.973 1.615 1.00 0.00 ? 38 GLU B CG 21 ATOM 29733 C CD . GLU B 1 38 ? -24.011 6.217 2.460 1.00 0.00 ? 38 GLU B CD 21 ATOM 29734 O OE1 . GLU B 1 38 ? -23.058 7.018 2.564 1.00 0.00 ? 38 GLU B OE1 21 ATOM 29735 O OE2 . GLU B 1 38 ? -25.115 6.389 3.016 1.00 0.00 ? 38 GLU B OE2 21 ATOM 29736 H H . GLU B 1 38 ? -21.776 5.455 -1.845 1.00 0.00 ? 38 GLU B H 21 ATOM 29737 H HA . GLU B 1 38 ? -24.488 5.406 -0.945 1.00 0.00 ? 38 GLU B HA 21 ATOM 29738 H HB2 . GLU B 1 38 ? -22.484 4.245 0.131 1.00 0.00 ? 38 GLU B HB2 21 ATOM 29739 H HB3 . GLU B 1 38 ? -22.055 5.820 0.786 1.00 0.00 ? 38 GLU B HB3 21 ATOM 29740 H HG2 . GLU B 1 38 ? -24.777 4.663 1.231 1.00 0.00 ? 38 GLU B HG2 21 ATOM 29741 H HG3 . GLU B 1 38 ? -23.410 4.191 2.240 1.00 0.00 ? 38 GLU B HG3 21 ATOM 29742 N N . ASP B 1 39 ? -22.863 8.207 -0.893 1.00 0.00 ? 39 ASP B N 21 ATOM 29743 C CA . ASP B 1 39 ? -22.976 9.643 -0.666 1.00 0.00 ? 39 ASP B CA 21 ATOM 29744 C C . ASP B 1 39 ? -22.980 10.405 -1.987 1.00 0.00 ? 39 ASP B C 21 ATOM 29745 O O . ASP B 1 39 ? -22.587 11.570 -2.045 1.00 0.00 ? 39 ASP B O 21 ATOM 29746 C CB . ASP B 1 39 ? -21.826 10.134 0.215 1.00 0.00 ? 39 ASP B CB 21 ATOM 29747 C CG . ASP B 1 39 ? -22.166 11.416 0.949 1.00 0.00 ? 39 ASP B CG 21 ATOM 29748 O OD1 . ASP B 1 39 ? -22.190 12.483 0.300 1.00 0.00 ? 39 ASP B OD1 21 ATOM 29749 O OD2 . ASP B 1 39 ? -22.409 11.354 2.172 1.00 0.00 ? 39 ASP B OD2 21 ATOM 29750 H H . ASP B 1 39 ? -22.090 7.861 -1.387 1.00 0.00 ? 39 ASP B H 21 ATOM 29751 H HA . ASP B 1 39 ? -23.911 9.825 -0.157 1.00 0.00 ? 39 ASP B HA 21 ATOM 29752 H HB2 . ASP B 1 39 ? -21.593 9.374 0.947 1.00 0.00 ? 39 ASP B HB2 21 ATOM 29753 H HB3 . ASP B 1 39 ? -20.958 10.312 -0.403 1.00 0.00 ? 39 ASP B HB3 21 ATOM 29754 N N . ASP B 1 40 ? -23.428 9.740 -3.047 1.00 0.00 ? 40 ASP B N 21 ATOM 29755 C CA . ASP B 1 40 ? -23.485 10.354 -4.369 1.00 0.00 ? 40 ASP B CA 21 ATOM 29756 C C . ASP B 1 40 ? -24.686 11.286 -4.484 1.00 0.00 ? 40 ASP B C 21 ATOM 29757 O O . ASP B 1 40 ? -25.575 11.278 -3.633 1.00 0.00 ? 40 ASP B O 21 ATOM 29758 C CB . ASP B 1 40 ? -23.553 9.278 -5.453 1.00 0.00 ? 40 ASP B CB 21 ATOM 29759 C CG . ASP B 1 40 ? -22.711 9.623 -6.665 1.00 0.00 ? 40 ASP B CG 21 ATOM 29760 O OD1 . ASP B 1 40 ? -21.470 9.517 -6.574 1.00 0.00 ? 40 ASP B OD1 21 ATOM 29761 O OD2 . ASP B 1 40 ? -23.292 9.999 -7.704 1.00 0.00 ? 40 ASP B OD2 21 ATOM 29762 H H . ASP B 1 40 ? -23.729 8.813 -2.938 1.00 0.00 ? 40 ASP B H 21 ATOM 29763 H HA . ASP B 1 40 ? -22.582 10.931 -4.504 1.00 0.00 ? 40 ASP B HA 21 ATOM 29764 H HB2 . ASP B 1 40 ? -23.198 8.342 -5.046 1.00 0.00 ? 40 ASP B HB2 21 ATOM 29765 H HB3 . ASP B 1 40 ? -24.579 9.160 -5.771 1.00 0.00 ? 40 ASP B HB3 21 ATOM 29766 N N . ASP B 1 41 ? -24.707 12.089 -5.543 1.00 0.00 ? 41 ASP B N 21 ATOM 29767 C CA . ASP B 1 41 ? -25.800 13.026 -5.769 1.00 0.00 ? 41 ASP B CA 21 ATOM 29768 C C . ASP B 1 41 ? -26.675 12.571 -6.933 1.00 0.00 ? 41 ASP B C 21 ATOM 29769 O O . ASP B 1 41 ? -27.853 12.238 -6.690 1.00 0.00 ? 41 ASP B O 21 ATOM 29770 C CB . ASP B 1 41 ? -25.249 14.426 -6.048 1.00 0.00 ? 41 ASP B CB 21 ATOM 29771 C CG . ASP B 1 41 ? -26.090 15.516 -5.411 1.00 0.00 ? 41 ASP B CG 21 ATOM 29772 O OD1 . ASP B 1 41 ? -27.323 15.340 -5.327 1.00 0.00 ? 41 ASP B OD1 21 ATOM 29773 O OD2 . ASP B 1 41 ? -25.515 16.544 -4.998 1.00 0.00 ? 41 ASP B OD2 21 ATOM 29774 O OXT . ASP B 1 41 ? -26.174 12.553 -8.077 1.00 0.00 ? 41 ASP B OXT 21 ATOM 29775 H H . ASP B 1 41 ? -23.970 12.049 -6.187 1.00 0.00 ? 41 ASP B H 21 ATOM 29776 H HA . ASP B 1 41 ? -26.401 13.058 -4.873 1.00 0.00 ? 41 ASP B HA 21 ATOM 29777 H HB2 . ASP B 1 41 ? -24.246 14.497 -5.655 1.00 0.00 ? 41 ASP B HB2 21 ATOM 29778 H HB3 . ASP B 1 41 ? -25.226 14.592 -7.115 1.00 0.00 ? 41 ASP B HB3 21 ATOM 29779 N N . ALA A 1 1 ? -36.259 2.876 3.080 1.00 0.00 ? 1 ALA A N 22 ATOM 29780 C CA . ALA A 1 1 ? -35.229 3.191 2.056 1.00 0.00 ? 1 ALA A CA 22 ATOM 29781 C C . ALA A 1 1 ? -33.857 3.374 2.696 1.00 0.00 ? 1 ALA A C 22 ATOM 29782 O O . ALA A 1 1 ? -33.325 4.482 2.739 1.00 0.00 ? 1 ALA A O 22 ATOM 29783 C CB . ALA A 1 1 ? -35.621 4.440 1.281 1.00 0.00 ? 1 ALA A CB 22 ATOM 29784 H H1 . ALA A 1 1 ? -35.907 2.081 3.650 1.00 0.00 ? 1 ALA A H1 22 ATOM 29785 H H2 . ALA A 1 1 ? -36.394 3.727 3.664 1.00 0.00 ? 1 ALA A H2 22 ATOM 29786 H H3 . ALA A 1 1 ? -37.134 2.620 2.582 1.00 0.00 ? 1 ALA A H3 22 ATOM 29787 H HA . ALA A 1 1 ? -35.181 2.366 1.359 1.00 0.00 ? 1 ALA A HA 22 ATOM 29788 H HB1 . ALA A 1 1 ? -36.686 4.435 1.106 1.00 0.00 ? 1 ALA A HB1 22 ATOM 29789 H HB2 . ALA A 1 1 ? -35.354 5.317 1.854 1.00 0.00 ? 1 ALA A HB2 22 ATOM 29790 H HB3 . ALA A 1 1 ? -35.099 4.455 0.335 1.00 0.00 ? 1 ALA A HB3 22 ATOM 29791 N N . LEU A 1 2 ? -33.290 2.279 3.192 1.00 0.00 ? 2 LEU A N 22 ATOM 29792 C CA . LEU A 1 2 ? -31.980 2.319 3.830 1.00 0.00 ? 2 LEU A CA 22 ATOM 29793 C C . LEU A 1 2 ? -31.039 1.293 3.206 1.00 0.00 ? 2 LEU A C 22 ATOM 29794 O O . LEU A 1 2 ? -31.464 0.209 2.806 1.00 0.00 ? 2 LEU A O 22 ATOM 29795 C CB . LEU A 1 2 ? -32.113 2.060 5.332 1.00 0.00 ? 2 LEU A CB 22 ATOM 29796 C CG . LEU A 1 2 ? -32.721 3.209 6.137 1.00 0.00 ? 2 LEU A CG 22 ATOM 29797 C CD1 . LEU A 1 2 ? -33.919 2.724 6.938 1.00 0.00 ? 2 LEU A CD1 22 ATOM 29798 C CD2 . LEU A 1 2 ? -31.677 3.826 7.056 1.00 0.00 ? 2 LEU A CD2 22 ATOM 29799 H H . LEU A 1 2 ? -33.765 1.423 3.127 1.00 0.00 ? 2 LEU A H 22 ATOM 29800 H HA . LEU A 1 2 ? -31.569 3.306 3.680 1.00 0.00 ? 2 LEU A HA 22 ATOM 29801 H HB2 . LEU A 1 2 ? -32.731 1.184 5.471 1.00 0.00 ? 2 LEU A HB2 22 ATOM 29802 H HB3 . LEU A 1 2 ? -31.130 1.852 5.729 1.00 0.00 ? 2 LEU A HB3 22 ATOM 29803 H HG . LEU A 1 2 ? -33.063 3.975 5.456 1.00 0.00 ? 2 LEU A HG 22 ATOM 29804 H HD11 . LEU A 1 2 ? -34.579 2.162 6.294 1.00 0.00 ? 2 LEU A HD11 22 ATOM 29805 H HD12 . LEU A 1 2 ? -33.580 2.092 7.746 1.00 0.00 ? 2 LEU A HD12 22 ATOM 29806 H HD13 . LEU A 1 2 ? -34.449 3.574 7.343 1.00 0.00 ? 2 LEU A HD13 22 ATOM 29807 H HD21 . LEU A 1 2 ? -30.839 4.170 6.468 1.00 0.00 ? 2 LEU A HD21 22 ATOM 29808 H HD22 . LEU A 1 2 ? -32.113 4.660 7.586 1.00 0.00 ? 2 LEU A HD22 22 ATOM 29809 H HD23 . LEU A 1 2 ? -31.339 3.085 7.765 1.00 0.00 ? 2 LEU A HD23 22 ATOM 29810 N N . LYS A 1 3 ? -29.760 1.644 3.126 1.00 0.00 ? 3 LYS A N 22 ATOM 29811 C CA . LYS A 1 3 ? -28.758 0.754 2.550 1.00 0.00 ? 3 LYS A CA 22 ATOM 29812 C C . LYS A 1 3 ? -27.634 0.483 3.545 1.00 0.00 ? 3 LYS A C 22 ATOM 29813 O O . LYS A 1 3 ? -26.585 1.126 3.502 1.00 0.00 ? 3 LYS A O 22 ATOM 29814 C CB . LYS A 1 3 ? -28.185 1.359 1.267 1.00 0.00 ? 3 LYS A CB 22 ATOM 29815 C CG . LYS A 1 3 ? -29.097 1.206 0.062 1.00 0.00 ? 3 LYS A CG 22 ATOM 29816 C CD . LYS A 1 3 ? -28.527 1.904 -1.161 1.00 0.00 ? 3 LYS A CD 22 ATOM 29817 C CE . LYS A 1 3 ? -28.250 3.373 -0.886 1.00 0.00 ? 3 LYS A CE 22 ATOM 29818 N NZ . LYS A 1 3 ? -28.479 4.216 -2.092 1.00 0.00 ? 3 LYS A NZ 22 ATOM 29819 H H . LYS A 1 3 ? -29.482 2.522 3.462 1.00 0.00 ? 3 LYS A H 22 ATOM 29820 H HA . LYS A 1 3 ? -29.244 -0.180 2.311 1.00 0.00 ? 3 LYS A HA 22 ATOM 29821 H HB2 . LYS A 1 3 ? -28.008 2.412 1.428 1.00 0.00 ? 3 LYS A HB2 22 ATOM 29822 H HB3 . LYS A 1 3 ? -27.245 0.875 1.044 1.00 0.00 ? 3 LYS A HB3 22 ATOM 29823 H HG2 . LYS A 1 3 ? -29.215 0.155 -0.157 1.00 0.00 ? 3 LYS A HG2 22 ATOM 29824 H HG3 . LYS A 1 3 ? -30.060 1.637 0.295 1.00 0.00 ? 3 LYS A HG3 22 ATOM 29825 H HD2 . LYS A 1 3 ? -27.602 1.421 -1.441 1.00 0.00 ? 3 LYS A HD2 22 ATOM 29826 H HD3 . LYS A 1 3 ? -29.236 1.825 -1.973 1.00 0.00 ? 3 LYS A HD3 22 ATOM 29827 H HE2 . LYS A 1 3 ? -28.905 3.707 -0.095 1.00 0.00 ? 3 LYS A HE2 22 ATOM 29828 H HE3 . LYS A 1 3 ? -27.222 3.481 -0.572 1.00 0.00 ? 3 LYS A HE3 22 ATOM 29829 H HZ1 . LYS A 1 3 ? -28.275 3.670 -2.954 1.00 0.00 ? 3 LYS A HZ1 22 ATOM 29830 H HZ2 . LYS A 1 3 ? -29.469 4.536 -2.123 1.00 0.00 ? 3 LYS A HZ2 22 ATOM 29831 H HZ3 . LYS A 1 3 ? -27.858 5.050 -2.069 1.00 0.00 ? 3 LYS A HZ3 22 ATOM 29832 N N . LYS A 1 4 ? -27.861 -0.472 4.441 1.00 0.00 ? 4 LYS A N 22 ATOM 29833 C CA . LYS A 1 4 ? -26.866 -0.828 5.446 1.00 0.00 ? 4 LYS A CA 22 ATOM 29834 C C . LYS A 1 4 ? -25.833 -1.792 4.873 1.00 0.00 ? 4 LYS A C 22 ATOM 29835 O O . LYS A 1 4 ? -24.665 -1.770 5.263 1.00 0.00 ? 4 LYS A O 22 ATOM 29836 C CB . LYS A 1 4 ? -27.546 -1.457 6.665 1.00 0.00 ? 4 LYS A CB 22 ATOM 29837 C CG . LYS A 1 4 ? -28.335 -0.463 7.500 1.00 0.00 ? 4 LYS A CG 22 ATOM 29838 C CD . LYS A 1 4 ? -29.505 -1.133 8.205 1.00 0.00 ? 4 LYS A CD 22 ATOM 29839 C CE . LYS A 1 4 ? -29.900 -0.382 9.465 1.00 0.00 ? 4 LYS A CE 22 ATOM 29840 N NZ . LYS A 1 4 ? -29.985 -1.284 10.646 1.00 0.00 ? 4 LYS A NZ 22 ATOM 29841 H H . LYS A 1 4 ? -28.716 -0.950 4.424 1.00 0.00 ? 4 LYS A H 22 ATOM 29842 H HA . LYS A 1 4 ? -26.366 0.077 5.752 1.00 0.00 ? 4 LYS A HA 22 ATOM 29843 H HB2 . LYS A 1 4 ? -28.222 -2.229 6.328 1.00 0.00 ? 4 LYS A HB2 22 ATOM 29844 H HB3 . LYS A 1 4 ? -26.789 -1.902 7.294 1.00 0.00 ? 4 LYS A HB3 22 ATOM 29845 H HG2 . LYS A 1 4 ? -27.681 -0.031 8.243 1.00 0.00 ? 4 LYS A HG2 22 ATOM 29846 H HG3 . LYS A 1 4 ? -28.714 0.315 6.854 1.00 0.00 ? 4 LYS A HG3 22 ATOM 29847 H HD2 . LYS A 1 4 ? -30.350 -1.159 7.532 1.00 0.00 ? 4 LYS A HD2 22 ATOM 29848 H HD3 . LYS A 1 4 ? -29.223 -2.141 8.470 1.00 0.00 ? 4 LYS A HD3 22 ATOM 29849 H HE2 . LYS A 1 4 ? -29.164 0.383 9.659 1.00 0.00 ? 4 LYS A HE2 22 ATOM 29850 H HE3 . LYS A 1 4 ? -30.864 0.080 9.306 1.00 0.00 ? 4 LYS A HE3 22 ATOM 29851 H HZ1 . LYS A 1 4 ? -29.880 -2.275 10.347 1.00 0.00 ? 4 LYS A HZ1 22 ATOM 29852 H HZ2 . LYS A 1 4 ? -29.230 -1.056 11.324 1.00 0.00 ? 4 LYS A HZ2 22 ATOM 29853 H HZ3 . LYS A 1 4 ? -30.905 -1.171 11.117 1.00 0.00 ? 4 LYS A HZ3 22 ATOM 29854 N N . HIS A 1 5 ? -26.270 -2.636 3.944 1.00 0.00 ? 5 HIS A N 22 ATOM 29855 C CA . HIS A 1 5 ? -25.383 -3.609 3.316 1.00 0.00 ? 5 HIS A CA 22 ATOM 29856 C C . HIS A 1 5 ? -24.134 -2.929 2.762 1.00 0.00 ? 5 HIS A C 22 ATOM 29857 O O . HIS A 1 5 ? -23.045 -3.504 2.771 1.00 0.00 ? 5 HIS A O 22 ATOM 29858 C CB . HIS A 1 5 ? -26.115 -4.347 2.194 1.00 0.00 ? 5 HIS A CB 22 ATOM 29859 C CG . HIS A 1 5 ? -26.976 -3.457 1.354 1.00 0.00 ? 5 HIS A CG 22 ATOM 29860 N ND1 . HIS A 1 5 ? -28.336 -3.328 1.543 1.00 0.00 ? 5 HIS A ND1 22 ATOM 29861 C CD2 . HIS A 1 5 ? -26.665 -2.646 0.314 1.00 0.00 ? 5 HIS A CD2 22 ATOM 29862 C CE1 . HIS A 1 5 ? -28.824 -2.478 0.657 1.00 0.00 ? 5 HIS A CE1 22 ATOM 29863 N NE2 . HIS A 1 5 ? -27.831 -2.050 -0.098 1.00 0.00 ? 5 HIS A NE2 22 ATOM 29864 H H . HIS A 1 5 ? -27.212 -2.605 3.675 1.00 0.00 ? 5 HIS A H 22 ATOM 29865 H HA . HIS A 1 5 ? -25.086 -4.321 4.070 1.00 0.00 ? 5 HIS A HA 22 ATOM 29866 H HB2 . HIS A 1 5 ? -25.388 -4.813 1.546 1.00 0.00 ? 5 HIS A HB2 22 ATOM 29867 H HB3 . HIS A 1 5 ? -26.745 -5.109 2.627 1.00 0.00 ? 5 HIS A HB3 22 ATOM 29868 H HD1 . HIS A 1 5 ? -28.867 -3.791 2.226 1.00 0.00 ? 5 HIS A HD1 22 ATOM 29869 H HD2 . HIS A 1 5 ? -25.682 -2.496 -0.109 1.00 0.00 ? 5 HIS A HD2 22 ATOM 29870 H HE1 . HIS A 1 5 ? -29.860 -2.183 0.567 1.00 0.00 ? 5 HIS A HE1 22 ATOM 29871 H HE2 . HIS A 1 5 ? -27.915 -1.409 -0.836 1.00 0.00 ? 5 HIS A HE2 22 ATOM 29872 N N . HIS A 1 6 ? -24.299 -1.699 2.284 1.00 0.00 ? 6 HIS A N 22 ATOM 29873 C CA . HIS A 1 6 ? -23.183 -0.944 1.729 1.00 0.00 ? 6 HIS A CA 22 ATOM 29874 C C . HIS A 1 6 ? -22.114 -0.716 2.788 1.00 0.00 ? 6 HIS A C 22 ATOM 29875 O O . HIS A 1 6 ? -20.956 -1.063 2.588 1.00 0.00 ? 6 HIS A O 22 ATOM 29876 C CB . HIS A 1 6 ? -23.666 0.395 1.170 1.00 0.00 ? 6 HIS A CB 22 ATOM 29877 C CG . HIS A 1 6 ? -23.720 0.434 -0.325 1.00 0.00 ? 6 HIS A CG 22 ATOM 29878 N ND1 . HIS A 1 6 ? -23.721 -0.701 -1.109 1.00 0.00 ? 6 HIS A ND1 22 ATOM 29879 C CD2 . HIS A 1 6 ? -23.777 1.481 -1.183 1.00 0.00 ? 6 HIS A CD2 22 ATOM 29880 C CE1 . HIS A 1 6 ? -23.774 -0.355 -2.383 1.00 0.00 ? 6 HIS A CE1 22 ATOM 29881 N NE2 . HIS A 1 6 ? -23.809 0.963 -2.454 1.00 0.00 ? 6 HIS A NE2 22 ATOM 29882 H H . HIS A 1 6 ? -25.190 -1.290 2.306 1.00 0.00 ? 6 HIS A H 22 ATOM 29883 H HA . HIS A 1 6 ? -22.754 -1.529 0.930 1.00 0.00 ? 6 HIS A HA 22 ATOM 29884 H HB2 . HIS A 1 6 ? -24.660 0.596 1.544 1.00 0.00 ? 6 HIS A HB2 22 ATOM 29885 H HB3 . HIS A 1 6 ? -22.998 1.177 1.501 1.00 0.00 ? 6 HIS A HB3 22 ATOM 29886 H HD1 . HIS A 1 6 ? -23.687 -1.623 -0.780 1.00 0.00 ? 6 HIS A HD1 22 ATOM 29887 H HD2 . HIS A 1 6 ? -23.794 2.529 -0.917 1.00 0.00 ? 6 HIS A HD2 22 ATOM 29888 H HE1 . HIS A 1 6 ? -23.788 -1.034 -3.223 1.00 0.00 ? 6 HIS A HE1 22 ATOM 29889 H HE2 . HIS A 1 6 ? -23.852 1.484 -3.283 1.00 0.00 ? 6 HIS A HE2 22 ATOM 29890 N N . GLU A 1 7 ? -22.511 -0.136 3.914 1.00 0.00 ? 7 GLU A N 22 ATOM 29891 C CA . GLU A 1 7 ? -21.584 0.126 5.007 1.00 0.00 ? 7 GLU A CA 22 ATOM 29892 C C . GLU A 1 7 ? -20.839 -1.147 5.401 1.00 0.00 ? 7 GLU A C 22 ATOM 29893 O O . GLU A 1 7 ? -19.750 -1.088 5.969 1.00 0.00 ? 7 GLU A O 22 ATOM 29894 C CB . GLU A 1 7 ? -22.333 0.688 6.217 1.00 0.00 ? 7 GLU A CB 22 ATOM 29895 C CG . GLU A 1 7 ? -21.462 1.530 7.134 1.00 0.00 ? 7 GLU A CG 22 ATOM 29896 C CD . GLU A 1 7 ? -22.252 2.179 8.254 1.00 0.00 ? 7 GLU A CD 22 ATOM 29897 O OE1 . GLU A 1 7 ? -23.301 2.792 7.964 1.00 0.00 ? 7 GLU A OE1 22 ATOM 29898 O OE2 . GLU A 1 7 ? -21.822 2.074 9.422 1.00 0.00 ? 7 GLU A OE2 22 ATOM 29899 H H . GLU A 1 7 ? -23.449 0.118 4.016 1.00 0.00 ? 7 GLU A H 22 ATOM 29900 H HA . GLU A 1 7 ? -20.868 0.858 4.666 1.00 0.00 ? 7 GLU A HA 22 ATOM 29901 H HB2 . GLU A 1 7 ? -23.149 1.302 5.866 1.00 0.00 ? 7 GLU A HB2 22 ATOM 29902 H HB3 . GLU A 1 7 ? -22.734 -0.134 6.791 1.00 0.00 ? 7 GLU A HB3 22 ATOM 29903 H HG2 . GLU A 1 7 ? -20.703 0.898 7.570 1.00 0.00 ? 7 GLU A HG2 22 ATOM 29904 H HG3 . GLU A 1 7 ? -20.991 2.306 6.549 1.00 0.00 ? 7 GLU A HG3 22 ATOM 29905 N N . ASN A 1 8 ? -21.433 -2.299 5.092 1.00 0.00 ? 8 ASN A N 22 ATOM 29906 C CA . ASN A 1 8 ? -20.821 -3.585 5.411 1.00 0.00 ? 8 ASN A CA 22 ATOM 29907 C C . ASN A 1 8 ? -19.600 -3.828 4.532 1.00 0.00 ? 8 ASN A C 22 ATOM 29908 O O . ASN A 1 8 ? -18.481 -3.961 5.030 1.00 0.00 ? 8 ASN A O 22 ATOM 29909 C CB . ASN A 1 8 ? -21.833 -4.718 5.228 1.00 0.00 ? 8 ASN A CB 22 ATOM 29910 C CG . ASN A 1 8 ? -22.011 -5.543 6.487 1.00 0.00 ? 8 ASN A CG 22 ATOM 29911 O OD1 . ASN A 1 8 ? -21.468 -5.213 7.542 1.00 0.00 ? 8 ASN A OD1 22 ATOM 29912 N ND2 . ASN A 1 8 ? -22.776 -6.624 6.384 1.00 0.00 ? 8 ASN A ND2 22 ATOM 29913 H H . ASN A 1 8 ? -22.301 -2.285 4.638 1.00 0.00 ? 8 ASN A H 22 ATOM 29914 H HA . ASN A 1 8 ? -20.506 -3.556 6.444 1.00 0.00 ? 8 ASN A HA 22 ATOM 29915 H HB2 . ASN A 1 8 ? -22.790 -4.297 4.957 1.00 0.00 ? 8 ASN A HB2 22 ATOM 29916 H HB3 . ASN A 1 8 ? -21.494 -5.371 4.437 1.00 0.00 ? 8 ASN A HB3 22 ATOM 29917 H HD21 . ASN A 1 8 ? -23.176 -6.825 5.513 1.00 0.00 ? 8 ASN A HD21 22 ATOM 29918 H HD22 . ASN A 1 8 ? -22.909 -7.175 7.182 1.00 0.00 ? 8 ASN A HD22 22 ATOM 29919 N N . GLU A 1 9 ? -19.816 -3.865 3.220 1.00 0.00 ? 9 GLU A N 22 ATOM 29920 C CA . GLU A 1 9 ? -18.720 -4.068 2.279 1.00 0.00 ? 9 GLU A CA 22 ATOM 29921 C C . GLU A 1 9 ? -17.807 -2.839 2.234 1.00 0.00 ? 9 GLU A C 22 ATOM 29922 O O . GLU A 1 9 ? -16.730 -2.875 1.640 1.00 0.00 ? 9 GLU A O 22 ATOM 29923 C CB . GLU A 1 9 ? -19.269 -4.361 0.881 1.00 0.00 ? 9 GLU A CB 22 ATOM 29924 C CG . GLU A 1 9 ? -19.623 -5.822 0.660 1.00 0.00 ? 9 GLU A CG 22 ATOM 29925 C CD . GLU A 1 9 ? -20.458 -6.395 1.788 1.00 0.00 ? 9 GLU A CD 22 ATOM 29926 O OE1 . GLU A 1 9 ? -21.428 -5.728 2.207 1.00 0.00 ? 9 GLU A OE1 22 ATOM 29927 O OE2 . GLU A 1 9 ? -20.143 -7.511 2.253 1.00 0.00 ? 9 GLU A OE2 22 ATOM 29928 H H . GLU A 1 9 ? -20.729 -3.734 2.877 1.00 0.00 ? 9 GLU A H 22 ATOM 29929 H HA . GLU A 1 9 ? -18.146 -4.918 2.616 1.00 0.00 ? 9 GLU A HA 22 ATOM 29930 H HB2 . GLU A 1 9 ? -20.158 -3.769 0.725 1.00 0.00 ? 9 GLU A HB2 22 ATOM 29931 H HB3 . GLU A 1 9 ? -18.526 -4.079 0.149 1.00 0.00 ? 9 GLU A HB3 22 ATOM 29932 H HG2 . GLU A 1 9 ? -20.182 -5.909 -0.260 1.00 0.00 ? 9 GLU A HG2 22 ATOM 29933 H HG3 . GLU A 1 9 ? -18.710 -6.394 0.581 1.00 0.00 ? 9 GLU A HG3 22 ATOM 29934 N N . ILE A 1 10 ? -18.246 -1.757 2.873 1.00 0.00 ? 10 ILE A N 22 ATOM 29935 C CA . ILE A 1 10 ? -17.488 -0.519 2.919 1.00 0.00 ? 10 ILE A CA 22 ATOM 29936 C C . ILE A 1 10 ? -16.548 -0.525 4.122 1.00 0.00 ? 10 ILE A C 22 ATOM 29937 O O . ILE A 1 10 ? -15.469 0.067 4.084 1.00 0.00 ? 10 ILE A O 22 ATOM 29938 C CB . ILE A 1 10 ? -18.462 0.692 2.979 1.00 0.00 ? 10 ILE A CB 22 ATOM 29939 C CG1 . ILE A 1 10 ? -19.096 0.919 1.607 1.00 0.00 ? 10 ILE A CG1 22 ATOM 29940 C CG2 . ILE A 1 10 ? -17.782 1.969 3.459 1.00 0.00 ? 10 ILE A CG2 22 ATOM 29941 C CD1 . ILE A 1 10 ? -20.142 2.012 1.598 1.00 0.00 ? 10 ILE A CD1 22 ATOM 29942 H H . ILE A 1 10 ? -19.103 -1.789 3.331 1.00 0.00 ? 10 ILE A H 22 ATOM 29943 H HA . ILE A 1 10 ? -16.902 -0.449 2.014 1.00 0.00 ? 10 ILE A HA 22 ATOM 29944 H HB . ILE A 1 10 ? -19.243 0.452 3.681 1.00 0.00 ? 10 ILE A HB 22 ATOM 29945 H HG12 . ILE A 1 10 ? -18.325 1.194 0.902 1.00 0.00 ? 10 ILE A HG12 22 ATOM 29946 H HG13 . ILE A 1 10 ? -19.568 0.004 1.279 1.00 0.00 ? 10 ILE A HG13 22 ATOM 29947 H HG21 . ILE A 1 10 ? -16.717 1.814 3.526 1.00 0.00 ? 10 ILE A HG21 22 ATOM 29948 H HG22 . ILE A 1 10 ? -17.989 2.767 2.762 1.00 0.00 ? 10 ILE A HG22 22 ATOM 29949 H HG23 . ILE A 1 10 ? -18.170 2.234 4.432 1.00 0.00 ? 10 ILE A HG23 22 ATOM 29950 H HD11 . ILE A 1 10 ? -20.204 2.459 2.580 1.00 0.00 ? 10 ILE A HD11 22 ATOM 29951 H HD12 . ILE A 1 10 ? -19.868 2.767 0.877 1.00 0.00 ? 10 ILE A HD12 22 ATOM 29952 H HD13 . ILE A 1 10 ? -21.100 1.592 1.333 1.00 0.00 ? 10 ILE A HD13 22 ATOM 29953 N N . SER A 1 11 ? -16.958 -1.212 5.180 1.00 0.00 ? 11 SER A N 22 ATOM 29954 C CA . SER A 1 11 ? -16.145 -1.311 6.381 1.00 0.00 ? 11 SER A CA 22 ATOM 29955 C C . SER A 1 11 ? -15.057 -2.356 6.187 1.00 0.00 ? 11 SER A C 22 ATOM 29956 O O . SER A 1 11 ? -13.973 -2.259 6.764 1.00 0.00 ? 11 SER A O 22 ATOM 29957 C CB . SER A 1 11 ? -17.012 -1.670 7.589 1.00 0.00 ? 11 SER A CB 22 ATOM 29958 O OG . SER A 1 11 ? -17.487 -3.003 7.498 1.00 0.00 ? 11 SER A OG 22 ATOM 29959 H H . SER A 1 11 ? -17.822 -1.675 5.146 1.00 0.00 ? 11 SER A H 22 ATOM 29960 H HA . SER A 1 11 ? -15.681 -0.350 6.549 1.00 0.00 ? 11 SER A HA 22 ATOM 29961 H HB2 . SER A 1 11 ? -16.428 -1.570 8.491 1.00 0.00 ? 11 SER A HB2 22 ATOM 29962 H HB3 . SER A 1 11 ? -17.860 -1.002 7.633 1.00 0.00 ? 11 SER A HB3 22 ATOM 29963 H HG . SER A 1 11 ? -17.792 -3.293 8.361 1.00 0.00 ? 11 SER A HG 22 ATOM 29964 N N . HIS A 1 12 ? -15.352 -3.351 5.356 1.00 0.00 ? 12 HIS A N 22 ATOM 29965 C CA . HIS A 1 12 ? -14.400 -4.409 5.071 1.00 0.00 ? 12 HIS A CA 22 ATOM 29966 C C . HIS A 1 12 ? -13.354 -3.913 4.067 1.00 0.00 ? 12 HIS A C 22 ATOM 29967 O O . HIS A 1 12 ? -12.152 -4.064 4.292 1.00 0.00 ? 12 HIS A O 22 ATOM 29968 C CB . HIS A 1 12 ? -15.155 -5.665 4.580 1.00 0.00 ? 12 HIS A CB 22 ATOM 29969 C CG . HIS A 1 12 ? -14.531 -6.395 3.427 1.00 0.00 ? 12 HIS A CG 22 ATOM 29970 N ND1 . HIS A 1 12 ? -13.550 -7.353 3.576 1.00 0.00 ? 12 HIS A ND1 22 ATOM 29971 C CD2 . HIS A 1 12 ? -14.764 -6.298 2.101 1.00 0.00 ? 12 HIS A CD2 22 ATOM 29972 C CE1 . HIS A 1 12 ? -13.205 -7.813 2.386 1.00 0.00 ? 12 HIS A CE1 22 ATOM 29973 N NE2 . HIS A 1 12 ? -13.928 -7.189 1.475 1.00 0.00 ? 12 HIS A NE2 22 ATOM 29974 H H . HIS A 1 12 ? -16.231 -3.369 4.917 1.00 0.00 ? 12 HIS A H 22 ATOM 29975 H HA . HIS A 1 12 ? -13.894 -4.647 5.997 1.00 0.00 ? 12 HIS A HA 22 ATOM 29976 H HB2 . HIS A 1 12 ? -15.230 -6.364 5.398 1.00 0.00 ? 12 HIS A HB2 22 ATOM 29977 H HB3 . HIS A 1 12 ? -16.153 -5.373 4.283 1.00 0.00 ? 12 HIS A HB3 22 ATOM 29978 H HD1 . HIS A 1 12 ? -13.164 -7.649 4.427 1.00 0.00 ? 12 HIS A HD1 22 ATOM 29979 H HD2 . HIS A 1 12 ? -15.474 -5.636 1.624 1.00 0.00 ? 12 HIS A HD2 22 ATOM 29980 H HE1 . HIS A 1 12 ? -12.461 -8.571 2.194 1.00 0.00 ? 12 HIS A HE1 22 ATOM 29981 H HE2 . HIS A 1 12 ? -13.875 -7.341 0.509 1.00 0.00 ? 12 HIS A HE2 22 ATOM 29982 N N . HIS A 1 13 ? -13.806 -3.299 2.974 1.00 0.00 ? 13 HIS A N 22 ATOM 29983 C CA . HIS A 1 13 ? -12.875 -2.774 1.983 1.00 0.00 ? 13 HIS A CA 22 ATOM 29984 C C . HIS A 1 13 ? -12.084 -1.618 2.578 1.00 0.00 ? 13 HIS A C 22 ATOM 29985 O O . HIS A 1 13 ? -10.968 -1.335 2.148 1.00 0.00 ? 13 HIS A O 22 ATOM 29986 C CB . HIS A 1 13 ? -13.600 -2.297 0.727 1.00 0.00 ? 13 HIS A CB 22 ATOM 29987 C CG . HIS A 1 13 ? -14.376 -3.358 0.020 1.00 0.00 ? 13 HIS A CG 22 ATOM 29988 N ND1 . HIS A 1 13 ? -13.999 -4.684 -0.010 1.00 0.00 ? 13 HIS A ND1 22 ATOM 29989 C CD2 . HIS A 1 13 ? -15.513 -3.272 -0.702 1.00 0.00 ? 13 HIS A CD2 22 ATOM 29990 C CE1 . HIS A 1 13 ? -14.877 -5.369 -0.723 1.00 0.00 ? 13 HIS A CE1 22 ATOM 29991 N NE2 . HIS A 1 13 ? -15.805 -4.535 -1.153 1.00 0.00 ? 13 HIS A NE2 22 ATOM 29992 H H . HIS A 1 13 ? -14.774 -3.181 2.842 1.00 0.00 ? 13 HIS A H 22 ATOM 29993 H HA . HIS A 1 13 ? -12.191 -3.566 1.719 1.00 0.00 ? 13 HIS A HA 22 ATOM 29994 H HB2 . HIS A 1 13 ? -14.288 -1.511 0.993 1.00 0.00 ? 13 HIS A HB2 22 ATOM 29995 H HB3 . HIS A 1 13 ? -12.870 -1.909 0.033 1.00 0.00 ? 13 HIS A HB3 22 ATOM 29996 H HD1 . HIS A 1 13 ? -13.209 -5.066 0.425 1.00 0.00 ? 13 HIS A HD1 22 ATOM 29997 H HD2 . HIS A 1 13 ? -16.079 -2.372 -0.888 1.00 0.00 ? 13 HIS A HD2 22 ATOM 29998 H HE1 . HIS A 1 13 ? -14.840 -6.431 -0.919 1.00 0.00 ? 13 HIS A HE1 22 ATOM 29999 H HE2 . HIS A 1 13 ? -16.576 -4.780 -1.705 1.00 0.00 ? 13 HIS A HE2 22 ATOM 30000 N N . ALA A 1 14 ? -12.671 -0.951 3.572 1.00 0.00 ? 14 ALA A N 22 ATOM 30001 C CA . ALA A 1 14 ? -12.013 0.170 4.227 1.00 0.00 ? 14 ALA A CA 22 ATOM 30002 C C . ALA A 1 14 ? -10.795 -0.314 4.997 1.00 0.00 ? 14 ALA A C 22 ATOM 30003 O O . ALA A 1 14 ? -9.699 0.226 4.852 1.00 0.00 ? 14 ALA A O 22 ATOM 30004 C CB . ALA A 1 14 ? -12.982 0.887 5.156 1.00 0.00 ? 14 ALA A CB 22 ATOM 30005 H H . ALA A 1 14 ? -13.563 -1.223 3.873 1.00 0.00 ? 14 ALA A H 22 ATOM 30006 H HA . ALA A 1 14 ? -11.694 0.865 3.464 1.00 0.00 ? 14 ALA A HA 22 ATOM 30007 H HB1 . ALA A 1 14 ? -13.665 0.169 5.587 1.00 0.00 ? 14 ALA A HB1 22 ATOM 30008 H HB2 . ALA A 1 14 ? -12.430 1.376 5.944 1.00 0.00 ? 14 ALA A HB2 22 ATOM 30009 H HB3 . ALA A 1 14 ? -13.540 1.623 4.595 1.00 0.00 ? 14 ALA A HB3 22 ATOM 30010 N N . LYS A 1 15 ? -10.991 -1.353 5.802 1.00 0.00 ? 15 LYS A N 22 ATOM 30011 C CA . LYS A 1 15 ? -9.903 -1.926 6.578 1.00 0.00 ? 15 LYS A CA 22 ATOM 30012 C C . LYS A 1 15 ? -8.891 -2.604 5.657 1.00 0.00 ? 15 LYS A C 22 ATOM 30013 O O . LYS A 1 15 ? -7.746 -2.838 6.044 1.00 0.00 ? 15 LYS A O 22 ATOM 30014 C CB . LYS A 1 15 ? -10.445 -2.934 7.592 1.00 0.00 ? 15 LYS A CB 22 ATOM 30015 C CG . LYS A 1 15 ? -9.562 -3.099 8.819 1.00 0.00 ? 15 LYS A CG 22 ATOM 30016 C CD . LYS A 1 15 ? -10.217 -3.990 9.861 1.00 0.00 ? 15 LYS A CD 22 ATOM 30017 C CE . LYS A 1 15 ? -9.368 -4.092 11.119 1.00 0.00 ? 15 LYS A CE 22 ATOM 30018 N NZ . LYS A 1 15 ? -10.199 -4.055 12.354 1.00 0.00 ? 15 LYS A NZ 22 ATOM 30019 H H . LYS A 1 15 ? -11.887 -1.751 5.865 1.00 0.00 ? 15 LYS A H 22 ATOM 30020 H HA . LYS A 1 15 ? -9.411 -1.123 7.107 1.00 0.00 ? 15 LYS A HA 22 ATOM 30021 H HB2 . LYS A 1 15 ? -11.422 -2.609 7.920 1.00 0.00 ? 15 LYS A HB2 22 ATOM 30022 H HB3 . LYS A 1 15 ? -10.538 -3.897 7.112 1.00 0.00 ? 15 LYS A HB3 22 ATOM 30023 H HG2 . LYS A 1 15 ? -8.624 -3.542 8.519 1.00 0.00 ? 15 LYS A HG2 22 ATOM 30024 H HG3 . LYS A 1 15 ? -9.380 -2.126 9.252 1.00 0.00 ? 15 LYS A HG3 22 ATOM 30025 H HD2 . LYS A 1 15 ? -11.179 -3.576 10.122 1.00 0.00 ? 15 LYS A HD2 22 ATOM 30026 H HD3 . LYS A 1 15 ? -10.348 -4.978 9.445 1.00 0.00 ? 15 LYS A HD3 22 ATOM 30027 H HE2 . LYS A 1 15 ? -8.820 -5.021 11.094 1.00 0.00 ? 15 LYS A HE2 22 ATOM 30028 H HE3 . LYS A 1 15 ? -8.674 -3.265 11.137 1.00 0.00 ? 15 LYS A HE3 22 ATOM 30029 H HZ1 . LYS A 1 15 ? -11.191 -4.266 12.125 1.00 0.00 ? 15 LYS A HZ1 22 ATOM 30030 H HZ2 . LYS A 1 15 ? -9.856 -4.759 13.037 1.00 0.00 ? 15 LYS A HZ2 22 ATOM 30031 H HZ3 . LYS A 1 15 ? -10.148 -3.112 12.791 1.00 0.00 ? 15 LYS A HZ3 22 ATOM 30032 N N . GLU A 1 16 ? -9.322 -2.921 4.435 1.00 0.00 ? 16 GLU A N 22 ATOM 30033 C CA . GLU A 1 16 ? -8.454 -3.575 3.463 1.00 0.00 ? 16 GLU A CA 22 ATOM 30034 C C . GLU A 1 16 ? -7.495 -2.581 2.812 1.00 0.00 ? 16 GLU A C 22 ATOM 30035 O O . GLU A 1 16 ? -6.336 -2.907 2.565 1.00 0.00 ? 16 GLU A O 22 ATOM 30036 C CB . GLU A 1 16 ? -9.292 -4.270 2.388 1.00 0.00 ? 16 GLU A CB 22 ATOM 30037 C CG . GLU A 1 16 ? -9.683 -5.695 2.748 1.00 0.00 ? 16 GLU A CG 22 ATOM 30038 C CD . GLU A 1 16 ? -8.598 -6.699 2.412 1.00 0.00 ? 16 GLU A CD 22 ATOM 30039 O OE1 . GLU A 1 16 ? -7.502 -6.271 1.992 1.00 0.00 ? 16 GLU A OE1 22 ATOM 30040 O OE2 . GLU A 1 16 ? -8.846 -7.914 2.568 1.00 0.00 ? 16 GLU A OE2 22 ATOM 30041 H H . GLU A 1 16 ? -10.247 -2.717 4.182 1.00 0.00 ? 16 GLU A H 22 ATOM 30042 H HA . GLU A 1 16 ? -7.875 -4.318 3.990 1.00 0.00 ? 16 GLU A HA 22 ATOM 30043 H HB2 . GLU A 1 16 ? -10.195 -3.701 2.228 1.00 0.00 ? 16 GLU A HB2 22 ATOM 30044 H HB3 . GLU A 1 16 ? -8.726 -4.297 1.469 1.00 0.00 ? 16 GLU A HB3 22 ATOM 30045 H HG2 . GLU A 1 16 ? -9.880 -5.743 3.809 1.00 0.00 ? 16 GLU A HG2 22 ATOM 30046 H HG3 . GLU A 1 16 ? -10.578 -5.956 2.204 1.00 0.00 ? 16 GLU A HG3 22 ATOM 30047 N N . ILE A 1 17 ? -7.976 -1.371 2.535 1.00 0.00 ? 17 ILE A N 22 ATOM 30048 C CA . ILE A 1 17 ? -7.139 -0.348 1.915 1.00 0.00 ? 17 ILE A CA 22 ATOM 30049 C C . ILE A 1 17 ? -6.216 0.292 2.944 1.00 0.00 ? 17 ILE A C 22 ATOM 30050 O O . ILE A 1 17 ? -5.124 0.756 2.611 1.00 0.00 ? 17 ILE A O 22 ATOM 30051 C CB . ILE A 1 17 ? -7.991 0.741 1.230 1.00 0.00 ? 17 ILE A CB 22 ATOM 30052 C CG1 . ILE A 1 17 ? -7.094 1.828 0.618 1.00 0.00 ? 17 ILE A CG1 22 ATOM 30053 C CG2 . ILE A 1 17 ? -8.987 1.340 2.215 1.00 0.00 ? 17 ILE A CG2 22 ATOM 30054 C CD1 . ILE A 1 17 ? -6.590 2.854 1.614 1.00 0.00 ? 17 ILE A CD1 22 ATOM 30055 H H . ILE A 1 17 ? -8.910 -1.159 2.753 1.00 0.00 ? 17 ILE A H 22 ATOM 30056 H HA . ILE A 1 17 ? -6.530 -0.827 1.160 1.00 0.00 ? 17 ILE A HA 22 ATOM 30057 H HB . ILE A 1 17 ? -8.555 0.269 0.437 1.00 0.00 ? 17 ILE A HB 22 ATOM 30058 H HG12 . ILE A 1 17 ? -6.233 1.359 0.167 1.00 0.00 ? 17 ILE A HG12 22 ATOM 30059 H HG13 . ILE A 1 17 ? -7.650 2.352 -0.145 1.00 0.00 ? 17 ILE A HG13 22 ATOM 30060 H HG21 . ILE A 1 17 ? -8.619 1.208 3.222 1.00 0.00 ? 17 ILE A HG21 22 ATOM 30061 H HG22 . ILE A 1 17 ? -9.107 2.393 2.009 1.00 0.00 ? 17 ILE A HG22 22 ATOM 30062 H HG23 . ILE A 1 17 ? -9.939 0.841 2.111 1.00 0.00 ? 17 ILE A HG23 22 ATOM 30063 H HD11 . ILE A 1 17 ? -6.936 2.595 2.604 1.00 0.00 ? 17 ILE A HD11 22 ATOM 30064 H HD12 . ILE A 1 17 ? -5.510 2.868 1.602 1.00 0.00 ? 17 ILE A HD12 22 ATOM 30065 H HD13 . ILE A 1 17 ? -6.966 3.831 1.346 1.00 0.00 ? 17 ILE A HD13 22 ATOM 30066 N N . GLU A 1 18 ? -6.653 0.303 4.198 1.00 0.00 ? 18 GLU A N 22 ATOM 30067 C CA . GLU A 1 18 ? -5.857 0.875 5.275 1.00 0.00 ? 18 GLU A CA 22 ATOM 30068 C C . GLU A 1 18 ? -4.796 -0.117 5.735 1.00 0.00 ? 18 GLU A C 22 ATOM 30069 O O . GLU A 1 18 ? -3.686 0.270 6.103 1.00 0.00 ? 18 GLU A O 22 ATOM 30070 C CB . GLU A 1 18 ? -6.752 1.268 6.451 1.00 0.00 ? 18 GLU A CB 22 ATOM 30071 C CG . GLU A 1 18 ? -7.016 2.762 6.542 1.00 0.00 ? 18 GLU A CG 22 ATOM 30072 C CD . GLU A 1 18 ? -7.932 3.124 7.695 1.00 0.00 ? 18 GLU A CD 22 ATOM 30073 O OE1 . GLU A 1 18 ? -8.432 2.199 8.368 1.00 0.00 ? 18 GLU A OE1 22 ATOM 30074 O OE2 . GLU A 1 18 ? -8.150 4.333 7.923 1.00 0.00 ? 18 GLU A OE2 22 ATOM 30075 H H . GLU A 1 18 ? -7.527 -0.090 4.404 1.00 0.00 ? 18 GLU A H 22 ATOM 30076 H HA . GLU A 1 18 ? -5.366 1.757 4.893 1.00 0.00 ? 18 GLU A HA 22 ATOM 30077 H HB2 . GLU A 1 18 ? -7.702 0.763 6.351 1.00 0.00 ? 18 GLU A HB2 22 ATOM 30078 H HB3 . GLU A 1 18 ? -6.281 0.951 7.370 1.00 0.00 ? 18 GLU A HB3 22 ATOM 30079 H HG2 . GLU A 1 18 ? -6.073 3.273 6.678 1.00 0.00 ? 18 GLU A HG2 22 ATOM 30080 H HG3 . GLU A 1 18 ? -7.472 3.091 5.620 1.00 0.00 ? 18 GLU A HG3 22 ATOM 30081 N N . ARG A 1 19 ? -5.140 -1.401 5.699 1.00 0.00 ? 19 ARG A N 22 ATOM 30082 C CA . ARG A 1 19 ? -4.213 -2.449 6.103 1.00 0.00 ? 19 ARG A CA 22 ATOM 30083 C C . ARG A 1 19 ? -3.133 -2.635 5.045 1.00 0.00 ? 19 ARG A C 22 ATOM 30084 O O . ARG A 1 19 ? -1.960 -2.829 5.364 1.00 0.00 ? 19 ARG A O 22 ATOM 30085 C CB . ARG A 1 19 ? -4.960 -3.765 6.328 1.00 0.00 ? 19 ARG A CB 22 ATOM 30086 C CG . ARG A 1 19 ? -5.676 -3.835 7.667 1.00 0.00 ? 19 ARG A CG 22 ATOM 30087 C CD . ARG A 1 19 ? -4.713 -4.168 8.796 1.00 0.00 ? 19 ARG A CD 22 ATOM 30088 N NE . ARG A 1 19 ? -5.308 -5.074 9.773 1.00 0.00 ? 19 ARG A NE 22 ATOM 30089 C CZ . ARG A 1 19 ? -5.499 -6.371 9.554 1.00 0.00 ? 19 ARG A CZ 22 ATOM 30090 N NH1 . ARG A 1 19 ? -5.143 -6.908 8.396 1.00 0.00 ? 19 ARG A NH1 22 ATOM 30091 N NH2 . ARG A 1 19 ? -6.046 -7.131 10.493 1.00 0.00 ? 19 ARG A NH2 22 ATOM 30092 H H . ARG A 1 19 ? -6.037 -1.647 5.388 1.00 0.00 ? 19 ARG A H 22 ATOM 30093 H HA . ARG A 1 19 ? -3.747 -2.143 7.027 1.00 0.00 ? 19 ARG A HA 22 ATOM 30094 H HB2 . ARG A 1 19 ? -5.694 -3.888 5.545 1.00 0.00 ? 19 ARG A HB2 22 ATOM 30095 H HB3 . ARG A 1 19 ? -4.253 -4.580 6.279 1.00 0.00 ? 19 ARG A HB3 22 ATOM 30096 H HG2 . ARG A 1 19 ? -6.137 -2.880 7.869 1.00 0.00 ? 19 ARG A HG2 22 ATOM 30097 H HG3 . ARG A 1 19 ? -6.436 -4.601 7.617 1.00 0.00 ? 19 ARG A HG3 22 ATOM 30098 H HD2 . ARG A 1 19 ? -3.833 -4.632 8.377 1.00 0.00 ? 19 ARG A HD2 22 ATOM 30099 H HD3 . ARG A 1 19 ? -4.433 -3.250 9.293 1.00 0.00 ? 19 ARG A HD3 22 ATOM 30100 H HE . ARG A 1 19 ? -5.578 -4.697 10.636 1.00 0.00 ? 19 ARG A HE 22 ATOM 30101 H HH11 . ARG A 1 19 ? -4.731 -6.338 7.686 1.00 0.00 ? 19 ARG A HH11 22 ATOM 30102 H HH12 . ARG A 1 19 ? -5.287 -7.884 8.232 1.00 0.00 ? 19 ARG A HH12 22 ATOM 30103 H HH21 . ARG A 1 19 ? -6.316 -6.728 11.368 1.00 0.00 ? 19 ARG A HH21 22 ATOM 30104 H HH22 . ARG A 1 19 ? -6.189 -8.106 10.326 1.00 0.00 ? 19 ARG A HH22 22 ATOM 30105 N N . LEU A 1 20 ? -3.538 -2.563 3.779 1.00 0.00 ? 20 LEU A N 22 ATOM 30106 C CA . LEU A 1 20 ? -2.603 -2.712 2.677 1.00 0.00 ? 20 LEU A CA 22 ATOM 30107 C C . LEU A 1 20 ? -1.627 -1.544 2.656 1.00 0.00 ? 20 LEU A C 22 ATOM 30108 O O . LEU A 1 20 ? -0.432 -1.726 2.425 1.00 0.00 ? 20 LEU A O 22 ATOM 30109 C CB . LEU A 1 20 ? -3.354 -2.797 1.347 1.00 0.00 ? 20 LEU A CB 22 ATOM 30110 C CG . LEU A 1 20 ? -2.929 -3.948 0.433 1.00 0.00 ? 20 LEU A CG 22 ATOM 30111 C CD1 . LEU A 1 20 ? -1.414 -4.050 0.368 1.00 0.00 ? 20 LEU A CD1 22 ATOM 30112 C CD2 . LEU A 1 20 ? -3.533 -5.259 0.914 1.00 0.00 ? 20 LEU A CD2 22 ATOM 30113 H H . LEU A 1 20 ? -4.484 -2.395 3.585 1.00 0.00 ? 20 LEU A H 22 ATOM 30114 H HA . LEU A 1 20 ? -2.050 -3.627 2.830 1.00 0.00 ? 20 LEU A HA 22 ATOM 30115 H HB2 . LEU A 1 20 ? -4.406 -2.904 1.559 1.00 0.00 ? 20 LEU A HB2 22 ATOM 30116 H HB3 . LEU A 1 20 ? -3.205 -1.871 0.813 1.00 0.00 ? 20 LEU A HB3 22 ATOM 30117 H HG . LEU A 1 20 ? -3.293 -3.758 -0.567 1.00 0.00 ? 20 LEU A HG 22 ATOM 30118 H HD11 . LEU A 1 20 ? -0.974 -3.167 0.809 1.00 0.00 ? 20 LEU A HD11 22 ATOM 30119 H HD12 . LEU A 1 20 ? -1.088 -4.924 0.912 1.00 0.00 ? 20 LEU A HD12 22 ATOM 30120 H HD13 . LEU A 1 20 ? -1.102 -4.129 -0.662 1.00 0.00 ? 20 LEU A HD13 22 ATOM 30121 H HD21 . LEU A 1 20 ? -4.578 -5.110 1.145 1.00 0.00 ? 20 LEU A HD21 22 ATOM 30122 H HD22 . LEU A 1 20 ? -3.438 -6.005 0.139 1.00 0.00 ? 20 LEU A HD22 22 ATOM 30123 H HD23 . LEU A 1 20 ? -3.012 -5.591 1.800 1.00 0.00 ? 20 LEU A HD23 22 ATOM 30124 N N . GLN A 1 21 ? -2.145 -0.344 2.908 1.00 0.00 ? 21 GLN A N 22 ATOM 30125 C CA . GLN A 1 21 ? -1.316 0.855 2.926 1.00 0.00 ? 21 GLN A CA 22 ATOM 30126 C C . GLN A 1 21 ? -0.232 0.743 3.991 1.00 0.00 ? 21 GLN A C 22 ATOM 30127 O O . GLN A 1 21 ? 0.920 1.105 3.759 1.00 0.00 ? 21 GLN A O 22 ATOM 30128 C CB . GLN A 1 21 ? -2.178 2.093 3.184 1.00 0.00 ? 21 GLN A CB 22 ATOM 30129 C CG . GLN A 1 21 ? -1.599 3.369 2.596 1.00 0.00 ? 21 GLN A CG 22 ATOM 30130 C CD . GLN A 1 21 ? -2.524 4.559 2.764 1.00 0.00 ? 21 GLN A CD 22 ATOM 30131 O OE1 . GLN A 1 21 ? -3.135 5.026 1.803 1.00 0.00 ? 21 GLN A OE1 22 ATOM 30132 N NE2 . GLN A 1 21 ? -2.630 5.058 3.990 1.00 0.00 ? 21 GLN A NE2 22 ATOM 30133 H H . GLN A 1 21 ? -3.106 -0.265 3.092 1.00 0.00 ? 21 GLN A H 22 ATOM 30134 H HA . GLN A 1 21 ? -0.846 0.949 1.959 1.00 0.00 ? 21 GLN A HA 22 ATOM 30135 H HB2 . GLN A 1 21 ? -3.154 1.933 2.752 1.00 0.00 ? 21 GLN A HB2 22 ATOM 30136 H HB3 . GLN A 1 21 ? -2.283 2.228 4.250 1.00 0.00 ? 21 GLN A HB3 22 ATOM 30137 H HG2 . GLN A 1 21 ? -0.665 3.587 3.091 1.00 0.00 ? 21 GLN A HG2 22 ATOM 30138 H HG3 . GLN A 1 21 ? -1.420 3.217 1.542 1.00 0.00 ? 21 GLN A HG3 22 ATOM 30139 H HE21 . GLN A 1 21 ? -2.113 4.636 4.708 1.00 0.00 ? 21 GLN A HE21 22 ATOM 30140 H HE22 . GLN A 1 21 ? -3.221 5.828 4.128 1.00 0.00 ? 21 GLN A HE22 22 ATOM 30141 N N . LYS A 1 22 ? -0.609 0.235 5.159 1.00 0.00 ? 22 LYS A N 22 ATOM 30142 C CA . LYS A 1 22 ? 0.335 0.070 6.258 1.00 0.00 ? 22 LYS A CA 22 ATOM 30143 C C . LYS A 1 22 ? 1.477 -0.854 5.850 1.00 0.00 ? 22 LYS A C 22 ATOM 30144 O O . LYS A 1 22 ? 2.637 -0.608 6.180 1.00 0.00 ? 22 LYS A O 22 ATOM 30145 C CB . LYS A 1 22 ? -0.375 -0.490 7.492 1.00 0.00 ? 22 LYS A CB 22 ATOM 30146 C CG . LYS A 1 22 ? 0.105 0.118 8.799 1.00 0.00 ? 22 LYS A CG 22 ATOM 30147 C CD . LYS A 1 22 ? 0.252 -0.936 9.883 1.00 0.00 ? 22 LYS A CD 22 ATOM 30148 C CE . LYS A 1 22 ? -1.069 -1.631 10.168 1.00 0.00 ? 22 LYS A CE 22 ATOM 30149 N NZ . LYS A 1 22 ? -1.039 -2.375 11.457 1.00 0.00 ? 22 LYS A NZ 22 ATOM 30150 H H . LYS A 1 22 ? -1.543 -0.040 5.286 1.00 0.00 ? 22 LYS A H 22 ATOM 30151 H HA . LYS A 1 22 ? 0.740 1.042 6.495 1.00 0.00 ? 22 LYS A HA 22 ATOM 30152 H HB2 . LYS A 1 22 ? -1.435 -0.301 7.399 1.00 0.00 ? 22 LYS A HB2 22 ATOM 30153 H HB3 . LYS A 1 22 ? -0.211 -1.556 7.534 1.00 0.00 ? 22 LYS A HB3 22 ATOM 30154 H HG2 . LYS A 1 22 ? 1.063 0.588 8.635 1.00 0.00 ? 22 LYS A HG2 22 ATOM 30155 H HG3 . LYS A 1 22 ? -0.611 0.859 9.124 1.00 0.00 ? 22 LYS A HG3 22 ATOM 30156 H HD2 . LYS A 1 22 ? 0.973 -1.673 9.560 1.00 0.00 ? 22 LYS A HD2 22 ATOM 30157 H HD3 . LYS A 1 22 ? 0.601 -0.461 10.788 1.00 0.00 ? 22 LYS A HD3 22 ATOM 30158 H HE2 . LYS A 1 22 ? -1.851 -0.888 10.209 1.00 0.00 ? 22 LYS A HE2 22 ATOM 30159 H HE3 . LYS A 1 22 ? -1.275 -2.326 9.366 1.00 0.00 ? 22 LYS A HE3 22 ATOM 30160 H HZ1 . LYS A 1 22 ? -0.249 -3.051 11.463 1.00 0.00 ? 22 LYS A HZ1 22 ATOM 30161 H HZ2 . LYS A 1 22 ? -0.920 -1.711 12.249 1.00 0.00 ? 22 LYS A HZ2 22 ATOM 30162 H HZ3 . LYS A 1 22 ? -1.928 -2.898 11.589 1.00 0.00 ? 22 LYS A HZ3 22 ATOM 30163 N N . GLU A 1 23 ? 1.140 -1.918 5.129 1.00 0.00 ? 23 GLU A N 22 ATOM 30164 C CA . GLU A 1 23 ? 2.137 -2.881 4.673 1.00 0.00 ? 23 GLU A CA 22 ATOM 30165 C C . GLU A 1 23 ? 3.161 -2.219 3.755 1.00 0.00 ? 23 GLU A C 22 ATOM 30166 O O . GLU A 1 23 ? 4.371 -2.395 3.926 1.00 0.00 ? 23 GLU A O 22 ATOM 30167 C CB . GLU A 1 23 ? 1.458 -4.043 3.945 1.00 0.00 ? 23 GLU A CB 22 ATOM 30168 C CG . GLU A 1 23 ? 1.236 -5.264 4.821 1.00 0.00 ? 23 GLU A CG 22 ATOM 30169 C CD . GLU A 1 23 ? -0.052 -5.992 4.493 1.00 0.00 ? 23 GLU A CD 22 ATOM 30170 O OE1 . GLU A 1 23 ? -1.107 -5.327 4.418 1.00 0.00 ? 23 GLU A OE1 22 ATOM 30171 O OE2 . GLU A 1 23 ? -0.007 -7.226 4.309 1.00 0.00 ? 23 GLU A OE2 22 ATOM 30172 H H . GLU A 1 23 ? 0.196 -2.061 4.898 1.00 0.00 ? 23 GLU A H 22 ATOM 30173 H HA . GLU A 1 23 ? 2.648 -3.265 5.544 1.00 0.00 ? 23 GLU A HA 22 ATOM 30174 H HB2 . GLU A 1 23 ? 0.499 -3.711 3.579 1.00 0.00 ? 23 GLU A HB2 22 ATOM 30175 H HB3 . GLU A 1 23 ? 2.073 -4.335 3.106 1.00 0.00 ? 23 GLU A HB3 22 ATOM 30176 H HG2 . GLU A 1 23 ? 2.062 -5.946 4.682 1.00 0.00 ? 23 GLU A HG2 22 ATOM 30177 H HG3 . GLU A 1 23 ? 1.201 -4.949 5.854 1.00 0.00 ? 23 GLU A HG3 22 ATOM 30178 N N . ILE A 1 24 ? 2.675 -1.454 2.781 1.00 0.00 ? 24 ILE A N 22 ATOM 30179 C CA . ILE A 1 24 ? 3.564 -0.772 1.847 1.00 0.00 ? 24 ILE A CA 22 ATOM 30180 C C . ILE A 1 24 ? 4.512 0.156 2.607 1.00 0.00 ? 24 ILE A C 22 ATOM 30181 O O . ILE A 1 24 ? 5.678 0.309 2.243 1.00 0.00 ? 24 ILE A O 22 ATOM 30182 C CB . ILE A 1 24 ? 2.782 0.012 0.742 1.00 0.00 ? 24 ILE A CB 22 ATOM 30183 C CG1 . ILE A 1 24 ? 2.508 1.469 1.139 1.00 0.00 ? 24 ILE A CG1 22 ATOM 30184 C CG2 . ILE A 1 24 ? 1.473 -0.687 0.406 1.00 0.00 ? 24 ILE A CG2 22 ATOM 30185 C CD1 . ILE A 1 24 ? 3.613 2.414 0.721 1.00 0.00 ? 24 ILE A CD1 22 ATOM 30186 H H . ILE A 1 24 ? 1.705 -1.346 2.696 1.00 0.00 ? 24 ILE A H 22 ATOM 30187 H HA . ILE A 1 24 ? 4.157 -1.533 1.356 1.00 0.00 ? 24 ILE A HA 22 ATOM 30188 H HB . ILE A 1 24 ? 3.390 0.006 -0.152 1.00 0.00 ? 24 ILE A HB 22 ATOM 30189 H HG12 . ILE A 1 24 ? 1.593 1.799 0.672 1.00 0.00 ? 24 ILE A HG12 22 ATOM 30190 H HG13 . ILE A 1 24 ? 2.404 1.532 2.212 1.00 0.00 ? 24 ILE A HG13 22 ATOM 30191 H HG21 . ILE A 1 24 ? 1.620 -1.757 0.426 1.00 0.00 ? 24 ILE A HG21 22 ATOM 30192 H HG22 . ILE A 1 24 ? 0.724 -0.411 1.132 1.00 0.00 ? 24 ILE A HG22 22 ATOM 30193 H HG23 . ILE A 1 24 ? 1.147 -0.387 -0.578 1.00 0.00 ? 24 ILE A HG23 22 ATOM 30194 H HD11 . ILE A 1 24 ? 4.392 1.856 0.218 1.00 0.00 ? 24 ILE A HD11 22 ATOM 30195 H HD12 . ILE A 1 24 ? 3.214 3.160 0.050 1.00 0.00 ? 24 ILE A HD12 22 ATOM 30196 H HD13 . ILE A 1 24 ? 4.024 2.898 1.595 1.00 0.00 ? 24 ILE A HD13 22 ATOM 30197 N N . GLU A 1 25 ? 3.995 0.767 3.670 1.00 0.00 ? 25 GLU A N 22 ATOM 30198 C CA . GLU A 1 25 ? 4.782 1.673 4.494 1.00 0.00 ? 25 GLU A CA 22 ATOM 30199 C C . GLU A 1 25 ? 5.987 0.948 5.080 1.00 0.00 ? 25 GLU A C 22 ATOM 30200 O O . GLU A 1 25 ? 7.100 1.471 5.077 1.00 0.00 ? 25 GLU A O 22 ATOM 30201 C CB . GLU A 1 25 ? 3.924 2.255 5.618 1.00 0.00 ? 25 GLU A CB 22 ATOM 30202 C CG . GLU A 1 25 ? 4.460 3.562 6.179 1.00 0.00 ? 25 GLU A CG 22 ATOM 30203 C CD . GLU A 1 25 ? 3.476 4.705 6.039 1.00 0.00 ? 25 GLU A CD 22 ATOM 30204 O OE1 . GLU A 1 25 ? 2.829 4.804 4.974 1.00 0.00 ? 25 GLU A OE1 22 ATOM 30205 O OE2 . GLU A 1 25 ? 3.350 5.502 6.992 1.00 0.00 ? 25 GLU A OE2 22 ATOM 30206 H H . GLU A 1 25 ? 3.059 0.598 3.908 1.00 0.00 ? 25 GLU A H 22 ATOM 30207 H HA . GLU A 1 25 ? 5.132 2.477 3.864 1.00 0.00 ? 25 GLU A HA 22 ATOM 30208 H HB2 . GLU A 1 25 ? 2.928 2.434 5.240 1.00 0.00 ? 25 GLU A HB2 22 ATOM 30209 H HB3 . GLU A 1 25 ? 3.871 1.537 6.423 1.00 0.00 ? 25 GLU A HB3 22 ATOM 30210 H HG2 . GLU A 1 25 ? 4.682 3.425 7.228 1.00 0.00 ? 25 GLU A HG2 22 ATOM 30211 H HG3 . GLU A 1 25 ? 5.367 3.819 5.652 1.00 0.00 ? 25 GLU A HG3 22 ATOM 30212 N N . ARG A 1 26 ? 5.756 -0.267 5.572 1.00 0.00 ? 26 ARG A N 22 ATOM 30213 C CA . ARG A 1 26 ? 6.827 -1.067 6.149 1.00 0.00 ? 26 ARG A CA 22 ATOM 30214 C C . ARG A 1 26 ? 7.956 -1.235 5.140 1.00 0.00 ? 26 ARG A C 22 ATOM 30215 O O . ARG A 1 26 ? 9.125 -1.005 5.450 1.00 0.00 ? 26 ARG A O 22 ATOM 30216 C CB . ARG A 1 26 ? 6.299 -2.437 6.579 1.00 0.00 ? 26 ARG A CB 22 ATOM 30217 C CG . ARG A 1 26 ? 5.338 -2.376 7.755 1.00 0.00 ? 26 ARG A CG 22 ATOM 30218 C CD . ARG A 1 26 ? 5.144 -3.745 8.387 1.00 0.00 ? 26 ARG A CD 22 ATOM 30219 N NE . ARG A 1 26 ? 3.732 -4.101 8.498 1.00 0.00 ? 26 ARG A NE 22 ATOM 30220 C CZ . ARG A 1 26 ? 3.302 -5.286 8.918 1.00 0.00 ? 26 ARG A CZ 22 ATOM 30221 N NH1 . ARG A 1 26 ? 4.173 -6.225 9.265 1.00 0.00 ? 26 ARG A NH1 22 ATOM 30222 N NH2 . ARG A 1 26 ? 2.002 -5.534 8.993 1.00 0.00 ? 26 ARG A NH2 22 ATOM 30223 H H . ARG A 1 26 ? 4.848 -0.634 5.539 1.00 0.00 ? 26 ARG A H 22 ATOM 30224 H HA . ARG A 1 26 ? 7.206 -0.545 7.015 1.00 0.00 ? 26 ARG A HA 22 ATOM 30225 H HB2 . ARG A 1 26 ? 5.784 -2.890 5.745 1.00 0.00 ? 26 ARG A HB2 22 ATOM 30226 H HB3 . ARG A 1 26 ? 7.136 -3.061 6.858 1.00 0.00 ? 26 ARG A HB3 22 ATOM 30227 H HG2 . ARG A 1 26 ? 5.737 -1.702 8.499 1.00 0.00 ? 26 ARG A HG2 22 ATOM 30228 H HG3 . ARG A 1 26 ? 4.383 -2.009 7.409 1.00 0.00 ? 26 ARG A HG3 22 ATOM 30229 H HD2 . ARG A 1 26 ? 5.644 -4.483 7.777 1.00 0.00 ? 26 ARG A HD2 22 ATOM 30230 H HD3 . ARG A 1 26 ? 5.582 -3.738 9.374 1.00 0.00 ? 26 ARG A HD3 22 ATOM 30231 H HE . ARG A 1 26 ? 3.071 -3.421 8.248 1.00 0.00 ? 26 ARG A HE 22 ATOM 30232 H HH11 . ARG A 1 26 ? 5.154 -6.041 9.209 1.00 0.00 ? 26 ARG A HH11 22 ATOM 30233 H HH12 . ARG A 1 26 ? 3.848 -7.116 9.580 1.00 0.00 ? 26 ARG A HH12 22 ATOM 30234 H HH21 . ARG A 1 26 ? 1.343 -4.829 8.732 1.00 0.00 ? 26 ARG A HH21 22 ATOM 30235 H HH22 . ARG A 1 26 ? 1.681 -6.427 9.308 1.00 0.00 ? 26 ARG A HH22 22 ATOM 30236 N N . HIS A 1 27 ? 7.592 -1.625 3.922 1.00 0.00 ? 27 HIS A N 22 ATOM 30237 C CA . HIS A 1 27 ? 8.572 -1.808 2.859 1.00 0.00 ? 27 HIS A CA 22 ATOM 30238 C C . HIS A 1 27 ? 9.247 -0.481 2.528 1.00 0.00 ? 27 HIS A C 22 ATOM 30239 O O . HIS A 1 27 ? 10.379 -0.449 2.046 1.00 0.00 ? 27 HIS A O 22 ATOM 30240 C CB . HIS A 1 27 ? 7.903 -2.382 1.610 1.00 0.00 ? 27 HIS A CB 22 ATOM 30241 C CG . HIS A 1 27 ? 8.325 -3.785 1.297 1.00 0.00 ? 27 HIS A CG 22 ATOM 30242 N ND1 . HIS A 1 27 ? 9.617 -4.124 0.955 1.00 0.00 ? 27 HIS A ND1 22 ATOM 30243 C CD2 . HIS A 1 27 ? 7.617 -4.939 1.276 1.00 0.00 ? 27 HIS A CD2 22 ATOM 30244 C CE1 . HIS A 1 27 ? 9.686 -5.426 0.736 1.00 0.00 ? 27 HIS A CE1 22 ATOM 30245 N NE2 . HIS A 1 27 ? 8.486 -5.942 0.925 1.00 0.00 ? 27 HIS A NE2 22 ATOM 30246 H H . HIS A 1 27 ? 6.641 -1.783 3.730 1.00 0.00 ? 27 HIS A H 22 ATOM 30247 H HA . HIS A 1 27 ? 9.320 -2.502 3.212 1.00 0.00 ? 27 HIS A HA 22 ATOM 30248 H HB2 . HIS A 1 27 ? 6.833 -2.382 1.750 1.00 0.00 ? 27 HIS A HB2 22 ATOM 30249 H HB3 . HIS A 1 27 ? 8.151 -1.763 0.760 1.00 0.00 ? 27 HIS A HB3 22 ATOM 30250 H HD1 . HIS A 1 27 ? 10.372 -3.503 0.883 1.00 0.00 ? 27 HIS A HD1 22 ATOM 30251 H HD2 . HIS A 1 27 ? 6.564 -5.050 1.495 1.00 0.00 ? 27 HIS A HD2 22 ATOM 30252 H HE1 . HIS A 1 27 ? 10.573 -5.973 0.454 1.00 0.00 ? 27 HIS A HE1 22 ATOM 30253 H HE2 . HIS A 1 27 ? 8.257 -6.890 0.830 1.00 0.00 ? 27 HIS A HE2 22 ATOM 30254 N N . LYS A 1 28 ? 8.540 0.616 2.795 1.00 0.00 ? 28 LYS A N 22 ATOM 30255 C CA . LYS A 1 28 ? 9.065 1.949 2.530 1.00 0.00 ? 28 LYS A CA 22 ATOM 30256 C C . LYS A 1 28 ? 10.084 2.352 3.590 1.00 0.00 ? 28 LYS A C 22 ATOM 30257 O O . LYS A 1 28 ? 10.963 3.176 3.339 1.00 0.00 ? 28 LYS A O 22 ATOM 30258 C CB . LYS A 1 28 ? 7.925 2.969 2.487 1.00 0.00 ? 28 LYS A CB 22 ATOM 30259 C CG . LYS A 1 28 ? 8.261 4.224 1.697 1.00 0.00 ? 28 LYS A CG 22 ATOM 30260 C CD . LYS A 1 28 ? 7.951 5.481 2.492 1.00 0.00 ? 28 LYS A CD 22 ATOM 30261 C CE . LYS A 1 28 ? 6.453 5.693 2.637 1.00 0.00 ? 28 LYS A CE 22 ATOM 30262 N NZ . LYS A 1 28 ? 6.138 6.886 3.472 1.00 0.00 ? 28 LYS A NZ 22 ATOM 30263 H H . LYS A 1 28 ? 7.644 0.525 3.179 1.00 0.00 ? 28 LYS A H 22 ATOM 30264 H HA . LYS A 1 28 ? 9.552 1.928 1.569 1.00 0.00 ? 28 LYS A HA 22 ATOM 30265 H HB2 . LYS A 1 28 ? 7.060 2.507 2.037 1.00 0.00 ? 28 LYS A HB2 22 ATOM 30266 H HB3 . LYS A 1 28 ? 7.681 3.261 3.498 1.00 0.00 ? 28 LYS A HB3 22 ATOM 30267 H HG2 . LYS A 1 28 ? 9.313 4.214 1.453 1.00 0.00 ? 28 LYS A HG2 22 ATOM 30268 H HG3 . LYS A 1 28 ? 7.679 4.230 0.787 1.00 0.00 ? 28 LYS A HG3 22 ATOM 30269 H HD2 . LYS A 1 28 ? 8.389 5.392 3.474 1.00 0.00 ? 28 LYS A HD2 22 ATOM 30270 H HD3 . LYS A 1 28 ? 8.378 6.333 1.980 1.00 0.00 ? 28 LYS A HD3 22 ATOM 30271 H HE2 . LYS A 1 28 ? 6.024 5.831 1.655 1.00 0.00 ? 28 LYS A HE2 22 ATOM 30272 H HE3 . LYS A 1 28 ? 6.021 4.817 3.099 1.00 0.00 ? 28 LYS A HE3 22 ATOM 30273 H HZ1 . LYS A 1 28 ? 6.985 7.481 3.577 1.00 0.00 ? 28 LYS A HZ1 22 ATOM 30274 H HZ2 . LYS A 1 28 ? 5.388 7.448 3.025 1.00 0.00 ? 28 LYS A HZ2 22 ATOM 30275 H HZ3 . LYS A 1 28 ? 5.818 6.588 4.415 1.00 0.00 ? 28 LYS A HZ3 22 ATOM 30276 N N . GLN A 1 29 ? 9.961 1.764 4.776 1.00 0.00 ? 29 GLN A N 22 ATOM 30277 C CA . GLN A 1 29 ? 10.873 2.058 5.872 1.00 0.00 ? 29 GLN A CA 22 ATOM 30278 C C . GLN A 1 29 ? 12.215 1.373 5.651 1.00 0.00 ? 29 GLN A C 22 ATOM 30279 O O . GLN A 1 29 ? 13.270 1.949 5.916 1.00 0.00 ? 29 GLN A O 22 ATOM 30280 C CB . GLN A 1 29 ? 10.269 1.608 7.203 1.00 0.00 ? 29 GLN A CB 22 ATOM 30281 C CG . GLN A 1 29 ? 11.172 1.865 8.399 1.00 0.00 ? 29 GLN A CG 22 ATOM 30282 C CD . GLN A 1 29 ? 10.741 1.094 9.631 1.00 0.00 ? 29 GLN A CD 22 ATOM 30283 O OE1 . GLN A 1 29 ? 9.624 0.583 9.699 1.00 0.00 ? 29 GLN A OE1 22 ATOM 30284 N NE2 . GLN A 1 29 ? 11.628 1.008 10.616 1.00 0.00 ? 29 GLN A NE2 22 ATOM 30285 H H . GLN A 1 29 ? 9.242 1.114 4.914 1.00 0.00 ? 29 GLN A H 22 ATOM 30286 H HA . GLN A 1 29 ? 11.028 3.127 5.899 1.00 0.00 ? 29 GLN A HA 22 ATOM 30287 H HB2 . GLN A 1 29 ? 9.340 2.135 7.361 1.00 0.00 ? 29 GLN A HB2 22 ATOM 30288 H HB3 . GLN A 1 29 ? 10.067 0.548 7.154 1.00 0.00 ? 29 GLN A HB3 22 ATOM 30289 H HG2 . GLN A 1 29 ? 12.179 1.572 8.143 1.00 0.00 ? 29 GLN A HG2 22 ATOM 30290 H HG3 . GLN A 1 29 ? 11.152 2.921 8.628 1.00 0.00 ? 29 GLN A HG3 22 ATOM 30291 H HE21 . GLN A 1 29 ? 12.499 1.441 10.493 1.00 0.00 ? 29 GLN A HE21 22 ATOM 30292 H HE22 . GLN A 1 29 ? 11.376 0.515 11.424 1.00 0.00 ? 29 GLN A HE22 22 ATOM 30293 N N . SER A 1 30 ? 12.168 0.140 5.160 1.00 0.00 ? 30 SER A N 22 ATOM 30294 C CA . SER A 1 30 ? 13.381 -0.625 4.898 1.00 0.00 ? 30 SER A CA 22 ATOM 30295 C C . SER A 1 30 ? 14.161 -0.025 3.733 1.00 0.00 ? 30 SER A C 22 ATOM 30296 O O . SER A 1 30 ? 15.388 0.072 3.777 1.00 0.00 ? 30 SER A O 22 ATOM 30297 C CB . SER A 1 30 ? 13.035 -2.085 4.598 1.00 0.00 ? 30 SER A CB 22 ATOM 30298 O OG . SER A 1 30 ? 12.233 -2.642 5.625 1.00 0.00 ? 30 SER A OG 22 ATOM 30299 H H . SER A 1 30 ? 11.294 -0.266 4.967 1.00 0.00 ? 30 SER A H 22 ATOM 30300 H HA . SER A 1 30 ? 13.995 -0.586 5.785 1.00 0.00 ? 30 SER A HA 22 ATOM 30301 H HB2 . SER A 1 30 ? 12.493 -2.140 3.665 1.00 0.00 ? 30 SER A HB2 22 ATOM 30302 H HB3 . SER A 1 30 ? 13.947 -2.659 4.517 1.00 0.00 ? 30 SER A HB3 22 ATOM 30303 H HG . SER A 1 30 ? 11.364 -2.851 5.275 1.00 0.00 ? 30 SER A HG 22 ATOM 30304 N N . ILE A 1 31 ? 13.442 0.378 2.689 1.00 0.00 ? 31 ILE A N 22 ATOM 30305 C CA . ILE A 1 31 ? 14.067 0.971 1.513 1.00 0.00 ? 31 ILE A CA 22 ATOM 30306 C C . ILE A 1 31 ? 14.563 2.381 1.812 1.00 0.00 ? 31 ILE A C 22 ATOM 30307 O O . ILE A 1 31 ? 15.504 2.865 1.184 1.00 0.00 ? 31 ILE A O 22 ATOM 30308 C CB . ILE A 1 31 ? 13.083 1.007 0.328 1.00 0.00 ? 31 ILE A CB 22 ATOM 30309 C CG1 . ILE A 1 31 ? 13.708 1.683 -0.893 1.00 0.00 ? 31 ILE A CG1 22 ATOM 30310 C CG2 . ILE A 1 31 ? 11.802 1.718 0.728 1.00 0.00 ? 31 ILE A CG2 22 ATOM 30311 C CD1 . ILE A 1 31 ? 14.691 0.804 -1.630 1.00 0.00 ? 31 ILE A CD1 22 ATOM 30312 H H . ILE A 1 31 ? 12.465 0.276 2.711 1.00 0.00 ? 31 ILE A H 22 ATOM 30313 H HA . ILE A 1 31 ? 14.910 0.354 1.236 1.00 0.00 ? 31 ILE A HA 22 ATOM 30314 H HB . ILE A 1 31 ? 12.835 -0.011 0.075 1.00 0.00 ? 31 ILE A HB 22 ATOM 30315 H HG12 . ILE A 1 31 ? 12.922 1.950 -1.585 1.00 0.00 ? 31 ILE A HG12 22 ATOM 30316 H HG13 . ILE A 1 31 ? 14.227 2.576 -0.581 1.00 0.00 ? 31 ILE A HG13 22 ATOM 30317 H HG21 . ILE A 1 31 ? 11.789 1.860 1.798 1.00 0.00 ? 31 ILE A HG21 22 ATOM 30318 H HG22 . ILE A 1 31 ? 11.757 2.679 0.237 1.00 0.00 ? 31 ILE A HG22 22 ATOM 30319 H HG23 . ILE A 1 31 ? 10.952 1.122 0.432 1.00 0.00 ? 31 ILE A HG23 22 ATOM 30320 H HD11 . ILE A 1 31 ? 15.368 0.349 -0.924 1.00 0.00 ? 31 ILE A HD11 22 ATOM 30321 H HD12 . ILE A 1 31 ? 14.152 0.033 -2.161 1.00 0.00 ? 31 ILE A HD12 22 ATOM 30322 H HD13 . ILE A 1 31 ? 15.250 1.401 -2.333 1.00 0.00 ? 31 ILE A HD13 22 ATOM 30323 N N . LYS A 1 32 ? 13.927 3.032 2.779 1.00 0.00 ? 32 LYS A N 22 ATOM 30324 C CA . LYS A 1 32 ? 14.310 4.384 3.167 1.00 0.00 ? 32 LYS A CA 22 ATOM 30325 C C . LYS A 1 32 ? 15.585 4.360 4.001 1.00 0.00 ? 32 LYS A C 22 ATOM 30326 O O . LYS A 1 32 ? 16.415 5.265 3.914 1.00 0.00 ? 32 LYS A O 22 ATOM 30327 C CB . LYS A 1 32 ? 13.182 5.054 3.953 1.00 0.00 ? 32 LYS A CB 22 ATOM 30328 C CG . LYS A 1 32 ? 12.120 5.690 3.072 1.00 0.00 ? 32 LYS A CG 22 ATOM 30329 C CD . LYS A 1 32 ? 12.635 6.956 2.405 1.00 0.00 ? 32 LYS A CD 22 ATOM 30330 C CE . LYS A 1 32 ? 12.370 6.945 0.909 1.00 0.00 ? 32 LYS A CE 22 ATOM 30331 N NZ . LYS A 1 32 ? 12.488 8.305 0.314 1.00 0.00 ? 32 LYS A NZ 22 ATOM 30332 H H . LYS A 1 32 ? 13.188 2.592 3.248 1.00 0.00 ? 32 LYS A H 22 ATOM 30333 H HA . LYS A 1 32 ? 14.495 4.947 2.265 1.00 0.00 ? 32 LYS A HA 22 ATOM 30334 H HB2 . LYS A 1 32 ? 12.704 4.313 4.577 1.00 0.00 ? 32 LYS A HB2 22 ATOM 30335 H HB3 . LYS A 1 32 ? 13.605 5.823 4.583 1.00 0.00 ? 32 LYS A HB3 22 ATOM 30336 H HG2 . LYS A 1 32 ? 11.831 4.985 2.307 1.00 0.00 ? 32 LYS A HG2 22 ATOM 30337 H HG3 . LYS A 1 32 ? 11.262 5.937 3.679 1.00 0.00 ? 32 LYS A HG3 22 ATOM 30338 H HD2 . LYS A 1 32 ? 12.138 7.809 2.842 1.00 0.00 ? 32 LYS A HD2 22 ATOM 30339 H HD3 . LYS A 1 32 ? 13.700 7.032 2.574 1.00 0.00 ? 32 LYS A HD3 22 ATOM 30340 H HE2 . LYS A 1 32 ? 13.087 6.291 0.434 1.00 0.00 ? 32 LYS A HE2 22 ATOM 30341 H HE3 . LYS A 1 32 ? 11.372 6.571 0.736 1.00 0.00 ? 32 LYS A HE3 22 ATOM 30342 H HZ1 . LYS A 1 32 ? 13.192 8.865 0.836 1.00 0.00 ? 32 LYS A HZ1 22 ATOM 30343 H HZ2 . LYS A 1 32 ? 12.786 8.235 -0.680 1.00 0.00 ? 32 LYS A HZ2 22 ATOM 30344 H HZ3 . LYS A 1 32 ? 11.572 8.795 0.356 1.00 0.00 ? 32 LYS A HZ3 22 ATOM 30345 N N . LYS A 1 33 ? 15.738 3.312 4.805 1.00 0.00 ? 33 LYS A N 22 ATOM 30346 C CA . LYS A 1 33 ? 16.917 3.163 5.649 1.00 0.00 ? 33 LYS A CA 22 ATOM 30347 C C . LYS A 1 33 ? 18.130 2.785 4.807 1.00 0.00 ? 33 LYS A C 22 ATOM 30348 O O . LYS A 1 33 ? 19.257 3.176 5.110 1.00 0.00 ? 33 LYS A O 22 ATOM 30349 C CB . LYS A 1 33 ? 16.673 2.102 6.724 1.00 0.00 ? 33 LYS A CB 22 ATOM 30350 C CG . LYS A 1 33 ? 17.839 1.928 7.682 1.00 0.00 ? 33 LYS A CG 22 ATOM 30351 C CD . LYS A 1 33 ? 18.621 0.659 7.381 1.00 0.00 ? 33 LYS A CD 22 ATOM 30352 C CE . LYS A 1 33 ? 17.915 -0.572 7.927 1.00 0.00 ? 33 LYS A CE 22 ATOM 30353 N NZ . LYS A 1 33 ? 17.952 -0.620 9.416 1.00 0.00 ? 33 LYS A NZ 22 ATOM 30354 H H . LYS A 1 33 ? 15.044 2.620 4.826 1.00 0.00 ? 33 LYS A H 22 ATOM 30355 H HA . LYS A 1 33 ? 17.105 4.113 6.127 1.00 0.00 ? 33 LYS A HA 22 ATOM 30356 H HB2 . LYS A 1 33 ? 15.802 2.382 7.298 1.00 0.00 ? 33 LYS A HB2 22 ATOM 30357 H HB3 . LYS A 1 33 ? 16.485 1.154 6.241 1.00 0.00 ? 33 LYS A HB3 22 ATOM 30358 H HG2 . LYS A 1 33 ? 18.500 2.776 7.587 1.00 0.00 ? 33 LYS A HG2 22 ATOM 30359 H HG3 . LYS A 1 33 ? 17.458 1.875 8.691 1.00 0.00 ? 33 LYS A HG3 22 ATOM 30360 H HD2 . LYS A 1 33 ? 18.725 0.556 6.312 1.00 0.00 ? 33 LYS A HD2 22 ATOM 30361 H HD3 . LYS A 1 33 ? 19.598 0.734 7.836 1.00 0.00 ? 33 LYS A HD3 22 ATOM 30362 H HE2 . LYS A 1 33 ? 16.885 -0.555 7.603 1.00 0.00 ? 33 LYS A HE2 22 ATOM 30363 H HE3 . LYS A 1 33 ? 18.400 -1.453 7.536 1.00 0.00 ? 33 LYS A HE3 22 ATOM 30364 H HZ1 . LYS A 1 33 ? 18.231 0.307 9.797 1.00 0.00 ? 33 LYS A HZ1 22 ATOM 30365 H HZ2 . LYS A 1 33 ? 17.014 -0.868 9.789 1.00 0.00 ? 33 LYS A HZ2 22 ATOM 30366 H HZ3 . LYS A 1 33 ? 18.640 -1.334 9.733 1.00 0.00 ? 33 LYS A HZ3 22 ATOM 30367 N N . LEU A 1 34 ? 17.886 2.023 3.745 1.00 0.00 ? 34 LEU A N 22 ATOM 30368 C CA . LEU A 1 34 ? 18.954 1.592 2.851 1.00 0.00 ? 34 LEU A CA 22 ATOM 30369 C C . LEU A 1 34 ? 19.503 2.775 2.060 1.00 0.00 ? 34 LEU A C 22 ATOM 30370 O O . LEU A 1 34 ? 20.714 2.908 1.883 1.00 0.00 ? 34 LEU A O 22 ATOM 30371 C CB . LEU A 1 34 ? 18.440 0.517 1.892 1.00 0.00 ? 34 LEU A CB 22 ATOM 30372 C CG . LEU A 1 34 ? 19.483 -0.507 1.434 1.00 0.00 ? 34 LEU A CG 22 ATOM 30373 C CD1 . LEU A 1 34 ? 20.799 0.176 1.096 1.00 0.00 ? 34 LEU A CD1 22 ATOM 30374 C CD2 . LEU A 1 34 ? 19.691 -1.569 2.504 1.00 0.00 ? 34 LEU A CD2 22 ATOM 30375 H H . LEU A 1 34 ? 16.965 1.747 3.556 1.00 0.00 ? 34 LEU A H 22 ATOM 30376 H HA . LEU A 1 34 ? 19.746 1.177 3.455 1.00 0.00 ? 34 LEU A HA 22 ATOM 30377 H HB2 . LEU A 1 34 ? 17.635 -0.015 2.380 1.00 0.00 ? 34 LEU A HB2 22 ATOM 30378 H HB3 . LEU A 1 34 ? 18.043 1.007 1.016 1.00 0.00 ? 34 LEU A HB3 22 ATOM 30379 H HG . LEU A 1 34 ? 19.125 -0.999 0.541 1.00 0.00 ? 34 LEU A HG 22 ATOM 30380 H HD11 . LEU A 1 34 ? 20.600 1.125 0.622 1.00 0.00 ? 34 LEU A HD11 22 ATOM 30381 H HD12 . LEU A 1 34 ? 21.364 0.339 2.003 1.00 0.00 ? 34 LEU A HD12 22 ATOM 30382 H HD13 . LEU A 1 34 ? 21.369 -0.450 0.425 1.00 0.00 ? 34 LEU A HD13 22 ATOM 30383 H HD21 . LEU A 1 34 ? 18.904 -1.497 3.240 1.00 0.00 ? 34 LEU A HD21 22 ATOM 30384 H HD22 . LEU A 1 34 ? 19.669 -2.547 2.048 1.00 0.00 ? 34 LEU A HD22 22 ATOM 30385 H HD23 . LEU A 1 34 ? 20.647 -1.416 2.982 1.00 0.00 ? 34 LEU A HD23 22 ATOM 30386 N N . LYS A 1 35 ? 18.603 3.633 1.587 1.00 0.00 ? 35 LYS A N 22 ATOM 30387 C CA . LYS A 1 35 ? 18.998 4.805 0.815 1.00 0.00 ? 35 LYS A CA 22 ATOM 30388 C C . LYS A 1 35 ? 19.680 5.839 1.705 1.00 0.00 ? 35 LYS A C 22 ATOM 30389 O O . LYS A 1 35 ? 20.529 6.603 1.247 1.00 0.00 ? 35 LYS A O 22 ATOM 30390 C CB . LYS A 1 35 ? 17.777 5.427 0.134 1.00 0.00 ? 35 LYS A CB 22 ATOM 30391 C CG . LYS A 1 35 ? 18.122 6.576 -0.800 1.00 0.00 ? 35 LYS A CG 22 ATOM 30392 C CD . LYS A 1 35 ? 17.072 7.672 -0.746 1.00 0.00 ? 35 LYS A CD 22 ATOM 30393 C CE . LYS A 1 35 ? 15.822 7.287 -1.522 1.00 0.00 ? 35 LYS A CE 22 ATOM 30394 N NZ . LYS A 1 35 ? 15.648 8.118 -2.745 1.00 0.00 ? 35 LYS A NZ 22 ATOM 30395 H H . LYS A 1 35 ? 17.651 3.474 1.762 1.00 0.00 ? 35 LYS A H 22 ATOM 30396 H HA . LYS A 1 35 ? 19.696 4.483 0.058 1.00 0.00 ? 35 LYS A HA 22 ATOM 30397 H HB2 . LYS A 1 35 ? 17.272 4.664 -0.440 1.00 0.00 ? 35 LYS A HB2 22 ATOM 30398 H HB3 . LYS A 1 35 ? 17.106 5.799 0.894 1.00 0.00 ? 35 LYS A HB3 22 ATOM 30399 H HG2 . LYS A 1 35 ? 19.076 6.990 -0.510 1.00 0.00 ? 35 LYS A HG2 22 ATOM 30400 H HG3 . LYS A 1 35 ? 18.184 6.199 -1.810 1.00 0.00 ? 35 LYS A HG3 22 ATOM 30401 H HD2 . LYS A 1 35 ? 16.802 7.849 0.285 1.00 0.00 ? 35 LYS A HD2 22 ATOM 30402 H HD3 . LYS A 1 35 ? 17.485 8.575 -1.172 1.00 0.00 ? 35 LYS A HD3 22 ATOM 30403 H HE2 . LYS A 1 35 ? 15.900 6.249 -1.811 1.00 0.00 ? 35 LYS A HE2 22 ATOM 30404 H HE3 . LYS A 1 35 ? 14.962 7.418 -0.882 1.00 0.00 ? 35 LYS A HE3 22 ATOM 30405 H HZ1 . LYS A 1 35 ? 15.817 9.120 -2.522 1.00 0.00 ? 35 LYS A HZ1 22 ATOM 30406 H HZ2 . LYS A 1 35 ? 16.321 7.818 -3.479 1.00 0.00 ? 35 LYS A HZ2 22 ATOM 30407 H HZ3 . LYS A 1 35 ? 14.681 8.014 -3.112 1.00 0.00 ? 35 LYS A HZ3 22 ATOM 30408 N N . GLN A 1 36 ? 19.302 5.857 2.980 1.00 0.00 ? 36 GLN A N 22 ATOM 30409 C CA . GLN A 1 36 ? 19.878 6.797 3.934 1.00 0.00 ? 36 GLN A CA 22 ATOM 30410 C C . GLN A 1 36 ? 21.287 6.372 4.334 1.00 0.00 ? 36 GLN A C 22 ATOM 30411 O O . GLN A 1 36 ? 22.126 7.207 4.671 1.00 0.00 ? 36 GLN A O 22 ATOM 30412 C CB . GLN A 1 36 ? 18.991 6.902 5.176 1.00 0.00 ? 36 GLN A CB 22 ATOM 30413 C CG . GLN A 1 36 ? 18.448 8.300 5.420 1.00 0.00 ? 36 GLN A CG 22 ATOM 30414 C CD . GLN A 1 36 ? 17.530 8.369 6.625 1.00 0.00 ? 36 GLN A CD 22 ATOM 30415 O OE1 . GLN A 1 36 ? 17.396 7.401 7.373 1.00 0.00 ? 36 GLN A OE1 22 ATOM 30416 N NE2 . GLN A 1 36 ? 16.892 9.517 6.819 1.00 0.00 ? 36 GLN A NE2 22 ATOM 30417 H H . GLN A 1 36 ? 18.620 5.223 3.284 1.00 0.00 ? 36 GLN A H 22 ATOM 30418 H HA . GLN A 1 36 ? 19.928 7.764 3.456 1.00 0.00 ? 36 GLN A HA 22 ATOM 30419 H HB2 . GLN A 1 36 ? 18.154 6.229 5.065 1.00 0.00 ? 36 GLN A HB2 22 ATOM 30420 H HB3 . GLN A 1 36 ? 19.566 6.607 6.042 1.00 0.00 ? 36 GLN A HB3 22 ATOM 30421 H HG2 . GLN A 1 36 ? 19.278 8.972 5.581 1.00 0.00 ? 36 GLN A HG2 22 ATOM 30422 H HG3 . GLN A 1 36 ? 17.896 8.616 4.546 1.00 0.00 ? 36 GLN A HG3 22 ATOM 30423 H HE21 . GLN A 1 36 ? 17.046 10.245 6.182 1.00 0.00 ? 36 GLN A HE21 22 ATOM 30424 H HE22 . GLN A 1 36 ? 16.292 9.589 7.590 1.00 0.00 ? 36 GLN A HE22 22 ATOM 30425 N N . SER A 1 37 ? 21.539 5.068 4.295 1.00 0.00 ? 37 SER A N 22 ATOM 30426 C CA . SER A 1 37 ? 22.847 4.531 4.653 1.00 0.00 ? 37 SER A CA 22 ATOM 30427 C C . SER A 1 37 ? 23.877 4.840 3.571 1.00 0.00 ? 37 SER A C 22 ATOM 30428 O O . SER A 1 37 ? 25.067 4.973 3.854 1.00 0.00 ? 37 SER A O 22 ATOM 30429 C CB . SER A 1 37 ? 22.758 3.020 4.872 1.00 0.00 ? 37 SER A CB 22 ATOM 30430 O OG . SER A 1 37 ? 22.004 2.714 6.031 1.00 0.00 ? 37 SER A OG 22 ATOM 30431 H H . SER A 1 37 ? 20.829 4.451 4.017 1.00 0.00 ? 37 SER A H 22 ATOM 30432 H HA . SER A 1 37 ? 23.157 5.001 5.574 1.00 0.00 ? 37 SER A HA 22 ATOM 30433 H HB2 . SER A 1 37 ? 22.282 2.561 4.018 1.00 0.00 ? 37 SER A HB2 22 ATOM 30434 H HB3 . SER A 1 37 ? 23.754 2.616 4.987 1.00 0.00 ? 37 SER A HB3 22 ATOM 30435 H HG . SER A 1 37 ? 22.200 3.356 6.719 1.00 0.00 ? 37 SER A HG 22 ATOM 30436 N N . GLU A 1 38 ? 23.409 4.954 2.332 1.00 0.00 ? 38 GLU A N 22 ATOM 30437 C CA . GLU A 1 38 ? 24.290 5.249 1.207 1.00 0.00 ? 38 GLU A CA 22 ATOM 30438 C C . GLU A 1 38 ? 24.830 6.672 1.298 1.00 0.00 ? 38 GLU A C 22 ATOM 30439 O O . GLU A 1 38 ? 25.947 6.952 0.860 1.00 0.00 ? 38 GLU A O 22 ATOM 30440 C CB . GLU A 1 38 ? 23.545 5.057 -0.114 1.00 0.00 ? 38 GLU A CB 22 ATOM 30441 C CG . GLU A 1 38 ? 24.382 5.390 -1.339 1.00 0.00 ? 38 GLU A CG 22 ATOM 30442 C CD . GLU A 1 38 ? 23.565 6.014 -2.452 1.00 0.00 ? 38 GLU A CD 22 ATOM 30443 O OE1 . GLU A 1 38 ? 22.439 6.479 -2.174 1.00 0.00 ? 38 GLU A OE1 22 ATOM 30444 O OE2 . GLU A 1 38 ? 24.049 6.038 -3.603 1.00 0.00 ? 38 GLU A OE2 22 ATOM 30445 H H . GLU A 1 38 ? 22.450 4.838 2.170 1.00 0.00 ? 38 GLU A H 22 ATOM 30446 H HA . GLU A 1 38 ? 25.120 4.559 1.246 1.00 0.00 ? 38 GLU A HA 22 ATOM 30447 H HB2 . GLU A 1 38 ? 23.228 4.028 -0.190 1.00 0.00 ? 38 GLU A HB2 22 ATOM 30448 H HB3 . GLU A 1 38 ? 22.672 5.694 -0.118 1.00 0.00 ? 38 GLU A HB3 22 ATOM 30449 H HG2 . GLU A 1 38 ? 25.158 6.083 -1.051 1.00 0.00 ? 38 GLU A HG2 22 ATOM 30450 H HG3 . GLU A 1 38 ? 24.832 4.480 -1.709 1.00 0.00 ? 38 GLU A HG3 22 ATOM 30451 N N . ASP A 1 39 ? 24.032 7.568 1.870 1.00 0.00 ? 39 ASP A N 22 ATOM 30452 C CA . ASP A 1 39 ? 24.431 8.963 2.018 1.00 0.00 ? 39 ASP A CA 22 ATOM 30453 C C . ASP A 1 39 ? 25.476 9.115 3.119 1.00 0.00 ? 39 ASP A C 22 ATOM 30454 O O . ASP A 1 39 ? 26.479 9.808 2.945 1.00 0.00 ? 39 ASP A O 22 ATOM 30455 C CB . ASP A 1 39 ? 23.212 9.832 2.332 1.00 0.00 ? 39 ASP A CB 22 ATOM 30456 C CG . ASP A 1 39 ? 23.358 11.245 1.800 1.00 0.00 ? 39 ASP A CG 22 ATOM 30457 O OD1 . ASP A 1 39 ? 24.499 11.751 1.763 1.00 0.00 ? 39 ASP A OD1 22 ATOM 30458 O OD2 . ASP A 1 39 ? 22.330 11.845 1.421 1.00 0.00 ? 39 ASP A OD2 22 ATOM 30459 H H . ASP A 1 39 ? 23.154 7.284 2.200 1.00 0.00 ? 39 ASP A H 22 ATOM 30460 H HA . ASP A 1 39 ? 24.862 9.286 1.083 1.00 0.00 ? 39 ASP A HA 22 ATOM 30461 H HB2 . ASP A 1 39 ? 22.336 9.389 1.885 1.00 0.00 ? 39 ASP A HB2 22 ATOM 30462 H HB3 . ASP A 1 39 ? 23.080 9.882 3.403 1.00 0.00 ? 39 ASP A HB3 22 ATOM 30463 N N . ASP A 1 40 ? 25.235 8.464 4.251 1.00 0.00 ? 40 ASP A N 22 ATOM 30464 C CA . ASP A 1 40 ? 26.156 8.526 5.380 1.00 0.00 ? 40 ASP A CA 22 ATOM 30465 C C . ASP A 1 40 ? 26.173 7.206 6.143 1.00 0.00 ? 40 ASP A C 22 ATOM 30466 O O . ASP A 1 40 ? 25.178 6.481 6.173 1.00 0.00 ? 40 ASP A O 22 ATOM 30467 C CB . ASP A 1 40 ? 25.764 9.667 6.322 1.00 0.00 ? 40 ASP A CB 22 ATOM 30468 C CG . ASP A 1 40 ? 24.330 9.555 6.801 1.00 0.00 ? 40 ASP A CG 22 ATOM 30469 O OD1 . ASP A 1 40 ? 24.086 8.815 7.777 1.00 0.00 ? 40 ASP A OD1 22 ATOM 30470 O OD2 . ASP A 1 40 ? 23.451 10.207 6.199 1.00 0.00 ? 40 ASP A OD2 22 ATOM 30471 H H . ASP A 1 40 ? 24.418 7.928 4.330 1.00 0.00 ? 40 ASP A H 22 ATOM 30472 H HA . ASP A 1 40 ? 27.145 8.717 4.991 1.00 0.00 ? 40 ASP A HA 22 ATOM 30473 H HB2 . ASP A 1 40 ? 26.414 9.653 7.185 1.00 0.00 ? 40 ASP A HB2 22 ATOM 30474 H HB3 . ASP A 1 40 ? 25.880 10.608 5.805 1.00 0.00 ? 40 ASP A HB3 22 ATOM 30475 N N . ASP A 1 41 ? 27.311 6.899 6.758 1.00 0.00 ? 41 ASP A N 22 ATOM 30476 C CA . ASP A 1 41 ? 27.458 5.665 7.521 1.00 0.00 ? 41 ASP A CA 22 ATOM 30477 C C . ASP A 1 41 ? 28.537 5.811 8.588 1.00 0.00 ? 41 ASP A C 22 ATOM 30478 O O . ASP A 1 41 ? 29.056 4.773 9.050 1.00 0.00 ? 41 ASP A O 22 ATOM 30479 C CB . ASP A 1 41 ? 27.801 4.502 6.588 1.00 0.00 ? 41 ASP A CB 22 ATOM 30480 C CG . ASP A 1 41 ? 29.094 4.730 5.831 1.00 0.00 ? 41 ASP A CG 22 ATOM 30481 O OD1 . ASP A 1 41 ? 30.174 4.564 6.437 1.00 0.00 ? 41 ASP A OD1 22 ATOM 30482 O OD2 . ASP A 1 41 ? 29.028 5.076 4.633 1.00 0.00 ? 41 ASP A OD2 22 ATOM 30483 O OXT . ASP A 1 41 ? 28.855 6.962 8.954 1.00 0.00 ? 41 ASP A OXT 22 ATOM 30484 H H . ASP A 1 41 ? 28.069 7.517 6.698 1.00 0.00 ? 41 ASP A H 22 ATOM 30485 H HA . ASP A 1 41 ? 26.515 5.461 8.005 1.00 0.00 ? 41 ASP A HA 22 ATOM 30486 H HB2 . ASP A 1 41 ? 27.901 3.599 7.172 1.00 0.00 ? 41 ASP A HB2 22 ATOM 30487 H HB3 . ASP A 1 41 ? 27.003 4.376 5.871 1.00 0.00 ? 41 ASP A HB3 22 ATOM 30488 N N . ALA B 1 1 ? 36.259 2.878 -3.078 1.00 0.00 ? 1 ALA B N 22 ATOM 30489 C CA . ALA B 1 1 ? 35.230 3.192 -2.054 1.00 0.00 ? 1 ALA B CA 22 ATOM 30490 C C . ALA B 1 1 ? 33.857 3.375 -2.694 1.00 0.00 ? 1 ALA B C 22 ATOM 30491 O O . ALA B 1 1 ? 33.325 4.484 -2.736 1.00 0.00 ? 1 ALA B O 22 ATOM 30492 C CB . ALA B 1 1 ? 35.621 4.441 -1.278 1.00 0.00 ? 1 ALA B CB 22 ATOM 30493 H H1 . ALA B 1 1 ? 35.907 2.083 -3.648 1.00 0.00 ? 1 ALA B H1 22 ATOM 30494 H H2 . ALA B 1 1 ? 36.394 3.729 -3.661 1.00 0.00 ? 1 ALA B H2 22 ATOM 30495 H H3 . ALA B 1 1 ? 37.134 2.621 -2.580 1.00 0.00 ? 1 ALA B H3 22 ATOM 30496 H HA . ALA B 1 1 ? 35.181 2.367 -1.357 1.00 0.00 ? 1 ALA B HA 22 ATOM 30497 H HB1 . ALA B 1 1 ? 36.686 4.436 -1.103 1.00 0.00 ? 1 ALA B HB1 22 ATOM 30498 H HB2 . ALA B 1 1 ? 35.354 5.317 -1.850 1.00 0.00 ? 1 ALA B HB2 22 ATOM 30499 H HB3 . ALA B 1 1 ? 35.100 4.455 -0.332 1.00 0.00 ? 1 ALA B HB3 22 ATOM 30500 N N . LEU B 1 2 ? 33.290 2.281 -3.190 1.00 0.00 ? 2 LEU B N 22 ATOM 30501 C CA . LEU B 1 2 ? 31.980 2.321 -3.829 1.00 0.00 ? 2 LEU B CA 22 ATOM 30502 C C . LEU B 1 2 ? 31.039 1.295 -3.206 1.00 0.00 ? 2 LEU B C 22 ATOM 30503 O O . LEU B 1 2 ? 31.464 0.211 -2.806 1.00 0.00 ? 2 LEU B O 22 ATOM 30504 C CB . LEU B 1 2 ? 32.113 2.063 -5.330 1.00 0.00 ? 2 LEU B CB 22 ATOM 30505 C CG . LEU B 1 2 ? 32.721 3.213 -6.135 1.00 0.00 ? 2 LEU B CG 22 ATOM 30506 C CD1 . LEU B 1 2 ? 33.919 2.729 -6.936 1.00 0.00 ? 2 LEU B CD1 22 ATOM 30507 C CD2 . LEU B 1 2 ? 31.677 3.831 -7.053 1.00 0.00 ? 2 LEU B CD2 22 ATOM 30508 H H . LEU B 1 2 ? 33.765 1.425 -3.126 1.00 0.00 ? 2 LEU B H 22 ATOM 30509 H HA . LEU B 1 2 ? 31.569 3.308 -3.678 1.00 0.00 ? 2 LEU B HA 22 ATOM 30510 H HB2 . LEU B 1 2 ? 32.731 1.187 -5.470 1.00 0.00 ? 2 LEU B HB2 22 ATOM 30511 H HB3 . LEU B 1 2 ? 31.130 1.856 -5.727 1.00 0.00 ? 2 LEU B HB3 22 ATOM 30512 H HG . LEU B 1 2 ? 33.063 3.978 -5.453 1.00 0.00 ? 2 LEU B HG 22 ATOM 30513 H HD11 . LEU B 1 2 ? 34.579 2.166 -6.292 1.00 0.00 ? 2 LEU B HD11 22 ATOM 30514 H HD12 . LEU B 1 2 ? 33.581 2.098 -7.744 1.00 0.00 ? 2 LEU B HD12 22 ATOM 30515 H HD13 . LEU B 1 2 ? 34.449 3.579 -7.341 1.00 0.00 ? 2 LEU B HD13 22 ATOM 30516 H HD21 . LEU B 1 2 ? 30.839 4.174 -6.466 1.00 0.00 ? 2 LEU B HD21 22 ATOM 30517 H HD22 . LEU B 1 2 ? 32.113 4.665 -7.583 1.00 0.00 ? 2 LEU B HD22 22 ATOM 30518 H HD23 . LEU B 1 2 ? 31.339 3.090 -7.763 1.00 0.00 ? 2 LEU B HD23 22 ATOM 30519 N N . LYS B 1 3 ? 29.760 1.646 -3.125 1.00 0.00 ? 3 LYS B N 22 ATOM 30520 C CA . LYS B 1 3 ? 28.758 0.755 -2.550 1.00 0.00 ? 3 LYS B CA 22 ATOM 30521 C C . LYS B 1 3 ? 27.634 0.485 -3.545 1.00 0.00 ? 3 LYS B C 22 ATOM 30522 O O . LYS B 1 3 ? 26.585 1.128 -3.501 1.00 0.00 ? 3 LYS B O 22 ATOM 30523 C CB . LYS B 1 3 ? 28.185 1.360 -1.266 1.00 0.00 ? 3 LYS B CB 22 ATOM 30524 C CG . LYS B 1 3 ? 29.098 1.206 -0.061 1.00 0.00 ? 3 LYS B CG 22 ATOM 30525 C CD . LYS B 1 3 ? 28.527 1.903 1.162 1.00 0.00 ? 3 LYS B CD 22 ATOM 30526 C CE . LYS B 1 3 ? 28.250 3.372 0.888 1.00 0.00 ? 3 LYS B CE 22 ATOM 30527 N NZ . LYS B 1 3 ? 28.479 4.214 2.095 1.00 0.00 ? 3 LYS B NZ 22 ATOM 30528 H H . LYS B 1 3 ? 29.482 2.524 -3.460 1.00 0.00 ? 3 LYS B H 22 ATOM 30529 H HA . LYS B 1 3 ? 29.244 -0.179 -2.312 1.00 0.00 ? 3 LYS B HA 22 ATOM 30530 H HB2 . LYS B 1 3 ? 28.008 2.413 -1.426 1.00 0.00 ? 3 LYS B HB2 22 ATOM 30531 H HB3 . LYS B 1 3 ? 27.245 0.876 -1.043 1.00 0.00 ? 3 LYS B HB3 22 ATOM 30532 H HG2 . LYS B 1 3 ? 29.215 0.155 0.157 1.00 0.00 ? 3 LYS B HG2 22 ATOM 30533 H HG3 . LYS B 1 3 ? 30.060 1.637 -0.294 1.00 0.00 ? 3 LYS B HG3 22 ATOM 30534 H HD2 . LYS B 1 3 ? 27.602 1.420 1.442 1.00 0.00 ? 3 LYS B HD2 22 ATOM 30535 H HD3 . LYS B 1 3 ? 29.236 1.824 1.974 1.00 0.00 ? 3 LYS B HD3 22 ATOM 30536 H HE2 . LYS B 1 3 ? 28.905 3.707 0.098 1.00 0.00 ? 3 LYS B HE2 22 ATOM 30537 H HE3 . LYS B 1 3 ? 27.222 3.480 0.574 1.00 0.00 ? 3 LYS B HE3 22 ATOM 30538 H HZ1 . LYS B 1 3 ? 28.275 3.668 2.956 1.00 0.00 ? 3 LYS B HZ1 22 ATOM 30539 H HZ2 . LYS B 1 3 ? 29.469 4.534 2.126 1.00 0.00 ? 3 LYS B HZ2 22 ATOM 30540 H HZ3 . LYS B 1 3 ? 27.858 5.049 2.072 1.00 0.00 ? 3 LYS B HZ3 22 ATOM 30541 N N . LYS B 1 4 ? 27.861 -0.469 -4.441 1.00 0.00 ? 4 LYS B N 22 ATOM 30542 C CA . LYS B 1 4 ? 26.866 -0.825 -5.447 1.00 0.00 ? 4 LYS B CA 22 ATOM 30543 C C . LYS B 1 4 ? 25.833 -1.789 -4.874 1.00 0.00 ? 4 LYS B C 22 ATOM 30544 O O . LYS B 1 4 ? 24.665 -1.767 -5.264 1.00 0.00 ? 4 LYS B O 22 ATOM 30545 C CB . LYS B 1 4 ? 27.546 -1.453 -6.666 1.00 0.00 ? 4 LYS B CB 22 ATOM 30546 C CG . LYS B 1 4 ? 28.335 -0.458 -7.501 1.00 0.00 ? 4 LYS B CG 22 ATOM 30547 C CD . LYS B 1 4 ? 29.505 -1.128 -8.205 1.00 0.00 ? 4 LYS B CD 22 ATOM 30548 C CE . LYS B 1 4 ? 29.900 -0.376 -9.465 1.00 0.00 ? 4 LYS B CE 22 ATOM 30549 N NZ . LYS B 1 4 ? 29.985 -1.277 -10.647 1.00 0.00 ? 4 LYS B NZ 22 ATOM 30550 H H . LYS B 1 4 ? 28.716 -0.947 -4.425 1.00 0.00 ? 4 LYS B H 22 ATOM 30551 H HA . LYS B 1 4 ? 26.366 0.081 -5.752 1.00 0.00 ? 4 LYS B HA 22 ATOM 30552 H HB2 . LYS B 1 4 ? 28.221 -2.225 -6.329 1.00 0.00 ? 4 LYS B HB2 22 ATOM 30553 H HB3 . LYS B 1 4 ? 26.789 -1.897 -7.295 1.00 0.00 ? 4 LYS B HB3 22 ATOM 30554 H HG2 . LYS B 1 4 ? 27.681 -0.026 -8.243 1.00 0.00 ? 4 LYS B HG2 22 ATOM 30555 H HG3 . LYS B 1 4 ? 28.714 0.319 -6.854 1.00 0.00 ? 4 LYS B HG3 22 ATOM 30556 H HD2 . LYS B 1 4 ? 30.350 -1.154 -7.533 1.00 0.00 ? 4 LYS B HD2 22 ATOM 30557 H HD3 . LYS B 1 4 ? 29.223 -2.136 -8.472 1.00 0.00 ? 4 LYS B HD3 22 ATOM 30558 H HE2 . LYS B 1 4 ? 29.164 0.389 -9.659 1.00 0.00 ? 4 LYS B HE2 22 ATOM 30559 H HE3 . LYS B 1 4 ? 30.864 0.086 -9.306 1.00 0.00 ? 4 LYS B HE3 22 ATOM 30560 H HZ1 . LYS B 1 4 ? 29.880 -2.268 -10.349 1.00 0.00 ? 4 LYS B HZ1 22 ATOM 30561 H HZ2 . LYS B 1 4 ? 29.230 -1.049 -11.325 1.00 0.00 ? 4 LYS B HZ2 22 ATOM 30562 H HZ3 . LYS B 1 4 ? 30.905 -1.163 -11.118 1.00 0.00 ? 4 LYS B HZ3 22 ATOM 30563 N N . HIS B 1 5 ? 26.270 -2.633 -3.946 1.00 0.00 ? 5 HIS B N 22 ATOM 30564 C CA . HIS B 1 5 ? 25.383 -3.607 -3.319 1.00 0.00 ? 5 HIS B CA 22 ATOM 30565 C C . HIS B 1 5 ? 24.134 -2.927 -2.764 1.00 0.00 ? 5 HIS B C 22 ATOM 30566 O O . HIS B 1 5 ? 23.045 -3.502 -2.774 1.00 0.00 ? 5 HIS B O 22 ATOM 30567 C CB . HIS B 1 5 ? 26.115 -4.346 -2.197 1.00 0.00 ? 5 HIS B CB 22 ATOM 30568 C CG . HIS B 1 5 ? 26.976 -3.456 -1.356 1.00 0.00 ? 5 HIS B CG 22 ATOM 30569 N ND1 . HIS B 1 5 ? 28.336 -3.327 -1.546 1.00 0.00 ? 5 HIS B ND1 22 ATOM 30570 C CD2 . HIS B 1 5 ? 26.665 -2.646 -0.317 1.00 0.00 ? 5 HIS B CD2 22 ATOM 30571 C CE1 . HIS B 1 5 ? 28.824 -2.478 -0.659 1.00 0.00 ? 5 HIS B CE1 22 ATOM 30572 N NE2 . HIS B 1 5 ? 27.831 -2.050 0.097 1.00 0.00 ? 5 HIS B NE2 22 ATOM 30573 H H . HIS B 1 5 ? 27.212 -2.603 -3.677 1.00 0.00 ? 5 HIS B H 22 ATOM 30574 H HA . HIS B 1 5 ? 25.086 -4.318 -4.073 1.00 0.00 ? 5 HIS B HA 22 ATOM 30575 H HB2 . HIS B 1 5 ? 25.388 -4.812 -1.549 1.00 0.00 ? 5 HIS B HB2 22 ATOM 30576 H HB3 . HIS B 1 5 ? 26.745 -5.108 -2.631 1.00 0.00 ? 5 HIS B HB3 22 ATOM 30577 H HD1 . HIS B 1 5 ? 28.867 -3.790 -2.228 1.00 0.00 ? 5 HIS B HD1 22 ATOM 30578 H HD2 . HIS B 1 5 ? 25.682 -2.496 0.108 1.00 0.00 ? 5 HIS B HD2 22 ATOM 30579 H HE1 . HIS B 1 5 ? 29.860 -2.183 -0.569 1.00 0.00 ? 5 HIS B HE1 22 ATOM 30580 H HE2 . HIS B 1 5 ? 27.915 -1.410 0.835 1.00 0.00 ? 5 HIS B HE2 22 ATOM 30581 N N . HIS B 1 6 ? 24.299 -1.698 -2.285 1.00 0.00 ? 6 HIS B N 22 ATOM 30582 C CA . HIS B 1 6 ? 23.183 -0.943 -1.730 1.00 0.00 ? 6 HIS B CA 22 ATOM 30583 C C . HIS B 1 6 ? 22.114 -0.714 -2.788 1.00 0.00 ? 6 HIS B C 22 ATOM 30584 O O . HIS B 1 6 ? 20.956 -1.062 -2.588 1.00 0.00 ? 6 HIS B O 22 ATOM 30585 C CB . HIS B 1 6 ? 23.666 0.396 -1.170 1.00 0.00 ? 6 HIS B CB 22 ATOM 30586 C CG . HIS B 1 6 ? 23.720 0.434 0.325 1.00 0.00 ? 6 HIS B CG 22 ATOM 30587 N ND1 . HIS B 1 6 ? 23.721 -0.702 1.109 1.00 0.00 ? 6 HIS B ND1 22 ATOM 30588 C CD2 . HIS B 1 6 ? 23.777 1.480 1.184 1.00 0.00 ? 6 HIS B CD2 22 ATOM 30589 C CE1 . HIS B 1 6 ? 23.774 -0.357 2.382 1.00 0.00 ? 6 HIS B CE1 22 ATOM 30590 N NE2 . HIS B 1 6 ? 23.809 0.961 2.455 1.00 0.00 ? 6 HIS B NE2 22 ATOM 30591 H H . HIS B 1 6 ? 25.190 -1.289 -2.307 1.00 0.00 ? 6 HIS B H 22 ATOM 30592 H HA . HIS B 1 6 ? 22.754 -1.528 -0.931 1.00 0.00 ? 6 HIS B HA 22 ATOM 30593 H HB2 . HIS B 1 6 ? 24.660 0.597 -1.543 1.00 0.00 ? 6 HIS B HB2 22 ATOM 30594 H HB3 . HIS B 1 6 ? 22.998 1.178 -1.499 1.00 0.00 ? 6 HIS B HB3 22 ATOM 30595 H HD1 . HIS B 1 6 ? 23.687 -1.624 0.779 1.00 0.00 ? 6 HIS B HD1 22 ATOM 30596 H HD2 . HIS B 1 6 ? 23.794 2.528 0.919 1.00 0.00 ? 6 HIS B HD2 22 ATOM 30597 H HE1 . HIS B 1 6 ? 23.789 -1.036 3.222 1.00 0.00 ? 6 HIS B HE1 22 ATOM 30598 H HE2 . HIS B 1 6 ? 23.852 1.482 3.284 1.00 0.00 ? 6 HIS B HE2 22 ATOM 30599 N N . GLU B 1 7 ? 22.511 -0.133 -3.914 1.00 0.00 ? 7 GLU B N 22 ATOM 30600 C CA . GLU B 1 7 ? 21.584 0.130 -5.007 1.00 0.00 ? 7 GLU B CA 22 ATOM 30601 C C . GLU B 1 7 ? 20.839 -1.144 -5.402 1.00 0.00 ? 7 GLU B C 22 ATOM 30602 O O . GLU B 1 7 ? 19.750 -1.084 -5.970 1.00 0.00 ? 7 GLU B O 22 ATOM 30603 C CB . GLU B 1 7 ? 22.333 0.692 -6.216 1.00 0.00 ? 7 GLU B CB 22 ATOM 30604 C CG . GLU B 1 7 ? 21.462 1.535 -7.133 1.00 0.00 ? 7 GLU B CG 22 ATOM 30605 C CD . GLU B 1 7 ? 22.252 2.185 -8.253 1.00 0.00 ? 7 GLU B CD 22 ATOM 30606 O OE1 . GLU B 1 7 ? 23.301 2.797 -7.961 1.00 0.00 ? 7 GLU B OE1 22 ATOM 30607 O OE2 . GLU B 1 7 ? 21.822 2.080 -9.420 1.00 0.00 ? 7 GLU B OE2 22 ATOM 30608 H H . GLU B 1 7 ? 23.448 0.120 -4.016 1.00 0.00 ? 7 GLU B H 22 ATOM 30609 H HA . GLU B 1 7 ? 20.868 0.861 -4.665 1.00 0.00 ? 7 GLU B HA 22 ATOM 30610 H HB2 . GLU B 1 7 ? 23.149 1.306 -5.865 1.00 0.00 ? 7 GLU B HB2 22 ATOM 30611 H HB3 . GLU B 1 7 ? 22.734 -0.130 -6.792 1.00 0.00 ? 7 GLU B HB3 22 ATOM 30612 H HG2 . GLU B 1 7 ? 20.703 0.903 -7.569 1.00 0.00 ? 7 GLU B HG2 22 ATOM 30613 H HG3 . GLU B 1 7 ? 20.991 2.310 -6.547 1.00 0.00 ? 7 GLU B HG3 22 ATOM 30614 N N . ASN B 1 8 ? 21.433 -2.296 -5.093 1.00 0.00 ? 8 ASN B N 22 ATOM 30615 C CA . ASN B 1 8 ? 20.821 -3.582 -5.413 1.00 0.00 ? 8 ASN B CA 22 ATOM 30616 C C . ASN B 1 8 ? 19.600 -3.825 -4.535 1.00 0.00 ? 8 ASN B C 22 ATOM 30617 O O . ASN B 1 8 ? 18.481 -3.958 -5.033 1.00 0.00 ? 8 ASN B O 22 ATOM 30618 C CB . ASN B 1 8 ? 21.833 -4.715 -5.231 1.00 0.00 ? 8 ASN B CB 22 ATOM 30619 C CG . ASN B 1 8 ? 22.011 -5.539 -6.491 1.00 0.00 ? 8 ASN B CG 22 ATOM 30620 O OD1 . ASN B 1 8 ? 21.468 -5.208 -7.545 1.00 0.00 ? 8 ASN B OD1 22 ATOM 30621 N ND2 . ASN B 1 8 ? 22.776 -6.620 -6.389 1.00 0.00 ? 8 ASN B ND2 22 ATOM 30622 H H . ASN B 1 8 ? 22.301 -2.282 -4.640 1.00 0.00 ? 8 ASN B H 22 ATOM 30623 H HA . ASN B 1 8 ? 20.506 -3.552 -6.446 1.00 0.00 ? 8 ASN B HA 22 ATOM 30624 H HB2 . ASN B 1 8 ? 22.790 -4.294 -4.960 1.00 0.00 ? 8 ASN B HB2 22 ATOM 30625 H HB3 . ASN B 1 8 ? 21.494 -5.368 -4.440 1.00 0.00 ? 8 ASN B HB3 22 ATOM 30626 H HD21 . ASN B 1 8 ? 23.176 -6.822 -5.516 1.00 0.00 ? 8 ASN B HD21 22 ATOM 30627 H HD22 . ASN B 1 8 ? 22.909 -7.170 -7.187 1.00 0.00 ? 8 ASN B HD22 22 ATOM 30628 N N . GLU B 1 9 ? 19.816 -3.863 -3.222 1.00 0.00 ? 9 GLU B N 22 ATOM 30629 C CA . GLU B 1 9 ? 18.720 -4.067 -2.281 1.00 0.00 ? 9 GLU B CA 22 ATOM 30630 C C . GLU B 1 9 ? 17.807 -2.838 -2.236 1.00 0.00 ? 9 GLU B C 22 ATOM 30631 O O . GLU B 1 9 ? 16.730 -2.874 -1.642 1.00 0.00 ? 9 GLU B O 22 ATOM 30632 C CB . GLU B 1 9 ? 19.269 -4.360 -0.884 1.00 0.00 ? 9 GLU B CB 22 ATOM 30633 C CG . GLU B 1 9 ? 19.623 -5.822 -0.664 1.00 0.00 ? 9 GLU B CG 22 ATOM 30634 C CD . GLU B 1 9 ? 20.458 -6.394 -1.792 1.00 0.00 ? 9 GLU B CD 22 ATOM 30635 O OE1 . GLU B 1 9 ? 21.428 -5.727 -2.211 1.00 0.00 ? 9 GLU B OE1 22 ATOM 30636 O OE2 . GLU B 1 9 ? 20.143 -7.510 -2.258 1.00 0.00 ? 9 GLU B OE2 22 ATOM 30637 H H . GLU B 1 9 ? 20.729 -3.732 -2.879 1.00 0.00 ? 9 GLU B H 22 ATOM 30638 H HA . GLU B 1 9 ? 18.146 -4.916 -2.620 1.00 0.00 ? 9 GLU B HA 22 ATOM 30639 H HB2 . GLU B 1 9 ? 20.157 -3.769 -0.726 1.00 0.00 ? 9 GLU B HB2 22 ATOM 30640 H HB3 . GLU B 1 9 ? 18.525 -4.080 -0.152 1.00 0.00 ? 9 GLU B HB3 22 ATOM 30641 H HG2 . GLU B 1 9 ? 20.182 -5.910 0.256 1.00 0.00 ? 9 GLU B HG2 22 ATOM 30642 H HG3 . GLU B 1 9 ? 18.710 -6.394 -0.586 1.00 0.00 ? 9 GLU B HG3 22 ATOM 30643 N N . ILE B 1 10 ? 18.246 -1.755 -2.874 1.00 0.00 ? 10 ILE B N 22 ATOM 30644 C CA . ILE B 1 10 ? 17.488 -0.517 -2.920 1.00 0.00 ? 10 ILE B CA 22 ATOM 30645 C C . ILE B 1 10 ? 16.548 -0.522 -4.122 1.00 0.00 ? 10 ILE B C 22 ATOM 30646 O O . ILE B 1 10 ? 15.469 0.070 -4.083 1.00 0.00 ? 10 ILE B O 22 ATOM 30647 C CB . ILE B 1 10 ? 18.462 0.694 -2.978 1.00 0.00 ? 10 ILE B CB 22 ATOM 30648 C CG1 . ILE B 1 10 ? 19.096 0.920 -1.606 1.00 0.00 ? 10 ILE B CG1 22 ATOM 30649 C CG2 . ILE B 1 10 ? 17.782 1.971 -3.458 1.00 0.00 ? 10 ILE B CG2 22 ATOM 30650 C CD1 . ILE B 1 10 ? 20.142 2.014 -1.597 1.00 0.00 ? 10 ILE B CD1 22 ATOM 30651 H H . ILE B 1 10 ? 19.103 -1.787 -3.332 1.00 0.00 ? 10 ILE B H 22 ATOM 30652 H HA . ILE B 1 10 ? 16.902 -0.448 -2.014 1.00 0.00 ? 10 ILE B HA 22 ATOM 30653 H HB . ILE B 1 10 ? 19.243 0.454 -3.681 1.00 0.00 ? 10 ILE B HB 22 ATOM 30654 H HG12 . ILE B 1 10 ? 18.325 1.195 -0.901 1.00 0.00 ? 10 ILE B HG12 22 ATOM 30655 H HG13 . ILE B 1 10 ? 19.568 0.005 -1.279 1.00 0.00 ? 10 ILE B HG13 22 ATOM 30656 H HG21 . ILE B 1 10 ? 16.717 1.816 -3.525 1.00 0.00 ? 10 ILE B HG21 22 ATOM 30657 H HG22 . ILE B 1 10 ? 17.989 2.769 -2.760 1.00 0.00 ? 10 ILE B HG22 22 ATOM 30658 H HG23 . ILE B 1 10 ? 18.170 2.237 -4.431 1.00 0.00 ? 10 ILE B HG23 22 ATOM 30659 H HD11 . ILE B 1 10 ? 20.204 2.460 -2.578 1.00 0.00 ? 10 ILE B HD11 22 ATOM 30660 H HD12 . ILE B 1 10 ? 19.868 2.768 -0.875 1.00 0.00 ? 10 ILE B HD12 22 ATOM 30661 H HD13 . ILE B 1 10 ? 21.100 1.593 -1.332 1.00 0.00 ? 10 ILE B HD13 22 ATOM 30662 N N . SER B 1 11 ? 16.958 -1.209 -5.181 1.00 0.00 ? 11 SER B N 22 ATOM 30663 C CA . SER B 1 11 ? 16.145 -1.307 -6.382 1.00 0.00 ? 11 SER B CA 22 ATOM 30664 C C . SER B 1 11 ? 15.057 -2.352 -6.188 1.00 0.00 ? 11 SER B C 22 ATOM 30665 O O . SER B 1 11 ? 13.973 -2.254 -6.766 1.00 0.00 ? 11 SER B O 22 ATOM 30666 C CB . SER B 1 11 ? 17.012 -1.665 -7.590 1.00 0.00 ? 11 SER B CB 22 ATOM 30667 O OG . SER B 1 11 ? 17.487 -2.998 -7.500 1.00 0.00 ? 11 SER B OG 22 ATOM 30668 H H . SER B 1 11 ? 17.822 -1.672 -5.147 1.00 0.00 ? 11 SER B H 22 ATOM 30669 H HA . SER B 1 11 ? 15.681 -0.346 -6.550 1.00 0.00 ? 11 SER B HA 22 ATOM 30670 H HB2 . SER B 1 11 ? 16.428 -1.565 -8.492 1.00 0.00 ? 11 SER B HB2 22 ATOM 30671 H HB3 . SER B 1 11 ? 17.860 -0.997 -7.634 1.00 0.00 ? 11 SER B HB3 22 ATOM 30672 H HG . SER B 1 11 ? 17.792 -3.288 -8.363 1.00 0.00 ? 11 SER B HG 22 ATOM 30673 N N . HIS B 1 12 ? 15.352 -3.348 -5.358 1.00 0.00 ? 12 HIS B N 22 ATOM 30674 C CA . HIS B 1 12 ? 14.400 -4.406 -5.073 1.00 0.00 ? 12 HIS B CA 22 ATOM 30675 C C . HIS B 1 12 ? 13.354 -3.910 -4.070 1.00 0.00 ? 12 HIS B C 22 ATOM 30676 O O . HIS B 1 12 ? 12.152 -4.061 -4.295 1.00 0.00 ? 12 HIS B O 22 ATOM 30677 C CB . HIS B 1 12 ? 15.155 -5.662 -4.584 1.00 0.00 ? 12 HIS B CB 22 ATOM 30678 C CG . HIS B 1 12 ? 14.531 -6.393 -3.431 1.00 0.00 ? 12 HIS B CG 22 ATOM 30679 N ND1 . HIS B 1 12 ? 13.550 -7.350 -3.581 1.00 0.00 ? 12 HIS B ND1 22 ATOM 30680 C CD2 . HIS B 1 12 ? 14.764 -6.297 -2.105 1.00 0.00 ? 12 HIS B CD2 22 ATOM 30681 C CE1 . HIS B 1 12 ? 13.205 -7.812 -2.391 1.00 0.00 ? 12 HIS B CE1 22 ATOM 30682 N NE2 . HIS B 1 12 ? 13.928 -7.188 -1.480 1.00 0.00 ? 12 HIS B NE2 22 ATOM 30683 H H . HIS B 1 12 ? 16.231 -3.366 -4.919 1.00 0.00 ? 12 HIS B H 22 ATOM 30684 H HA . HIS B 1 12 ? 13.894 -4.643 -6.000 1.00 0.00 ? 12 HIS B HA 22 ATOM 30685 H HB2 . HIS B 1 12 ? 15.230 -6.361 -5.403 1.00 0.00 ? 12 HIS B HB2 22 ATOM 30686 H HB3 . HIS B 1 12 ? 16.153 -5.370 -4.286 1.00 0.00 ? 12 HIS B HB3 22 ATOM 30687 H HD1 . HIS B 1 12 ? 13.164 -7.646 -4.432 1.00 0.00 ? 12 HIS B HD1 22 ATOM 30688 H HD2 . HIS B 1 12 ? 15.474 -5.635 -1.628 1.00 0.00 ? 12 HIS B HD2 22 ATOM 30689 H HE1 . HIS B 1 12 ? 12.461 -8.570 -2.200 1.00 0.00 ? 12 HIS B HE1 22 ATOM 30690 H HE2 . HIS B 1 12 ? 13.875 -7.341 -0.514 1.00 0.00 ? 12 HIS B HE2 22 ATOM 30691 N N . HIS B 1 13 ? 13.806 -3.297 -2.976 1.00 0.00 ? 13 HIS B N 22 ATOM 30692 C CA . HIS B 1 13 ? 12.875 -2.773 -1.986 1.00 0.00 ? 13 HIS B CA 22 ATOM 30693 C C . HIS B 1 13 ? 12.084 -1.616 -2.579 1.00 0.00 ? 13 HIS B C 22 ATOM 30694 O O . HIS B 1 13 ? 10.968 -1.334 -2.149 1.00 0.00 ? 13 HIS B O 22 ATOM 30695 C CB . HIS B 1 13 ? 13.600 -2.297 -0.728 1.00 0.00 ? 13 HIS B CB 22 ATOM 30696 C CG . HIS B 1 13 ? 14.376 -3.358 -0.022 1.00 0.00 ? 13 HIS B CG 22 ATOM 30697 N ND1 . HIS B 1 13 ? 13.999 -4.684 0.007 1.00 0.00 ? 13 HIS B ND1 22 ATOM 30698 C CD2 . HIS B 1 13 ? 15.513 -3.273 0.699 1.00 0.00 ? 13 HIS B CD2 22 ATOM 30699 C CE1 . HIS B 1 13 ? 14.877 -5.370 0.720 1.00 0.00 ? 13 HIS B CE1 22 ATOM 30700 N NE2 . HIS B 1 13 ? 15.804 -4.536 1.150 1.00 0.00 ? 13 HIS B NE2 22 ATOM 30701 H H . HIS B 1 13 ? 14.774 -3.179 -2.844 1.00 0.00 ? 13 HIS B H 22 ATOM 30702 H HA . HIS B 1 13 ? 12.191 -3.565 -1.721 1.00 0.00 ? 13 HIS B HA 22 ATOM 30703 H HB2 . HIS B 1 13 ? 14.288 -1.510 -0.994 1.00 0.00 ? 13 HIS B HB2 22 ATOM 30704 H HB3 . HIS B 1 13 ? 12.870 -1.909 -0.034 1.00 0.00 ? 13 HIS B HB3 22 ATOM 30705 H HD1 . HIS B 1 13 ? 13.209 -5.066 -0.428 1.00 0.00 ? 13 HIS B HD1 22 ATOM 30706 H HD2 . HIS B 1 13 ? 16.079 -2.373 0.887 1.00 0.00 ? 13 HIS B HD2 22 ATOM 30707 H HE1 . HIS B 1 13 ? 14.840 -6.432 0.915 1.00 0.00 ? 13 HIS B HE1 22 ATOM 30708 H HE2 . HIS B 1 13 ? 16.576 -4.781 1.701 1.00 0.00 ? 13 HIS B HE2 22 ATOM 30709 N N . ALA B 1 14 ? 12.671 -0.949 -3.573 1.00 0.00 ? 14 ALA B N 22 ATOM 30710 C CA . ALA B 1 14 ? 12.013 0.173 -4.227 1.00 0.00 ? 14 ALA B CA 22 ATOM 30711 C C . ALA B 1 14 ? 10.795 -0.311 -4.997 1.00 0.00 ? 14 ALA B C 22 ATOM 30712 O O . ALA B 1 14 ? 9.699 0.229 -4.852 1.00 0.00 ? 14 ALA B O 22 ATOM 30713 C CB . ALA B 1 14 ? 12.982 0.890 -5.155 1.00 0.00 ? 14 ALA B CB 22 ATOM 30714 H H . ALA B 1 14 ? 13.563 -1.220 -3.874 1.00 0.00 ? 14 ALA B H 22 ATOM 30715 H HA . ALA B 1 14 ? 11.694 0.867 -3.463 1.00 0.00 ? 14 ALA B HA 22 ATOM 30716 H HB1 . ALA B 1 14 ? 13.665 0.173 -5.587 1.00 0.00 ? 14 ALA B HB1 22 ATOM 30717 H HB2 . ALA B 1 14 ? 13.540 1.626 -4.594 1.00 0.00 ? 14 ALA B HB2 22 ATOM 30718 H HB3 . ALA B 1 14 ? 12.430 1.380 -5.943 1.00 0.00 ? 14 ALA B HB3 22 ATOM 30719 N N . LYS B 1 15 ? 10.991 -1.349 -5.803 1.00 0.00 ? 15 LYS B N 22 ATOM 30720 C CA . LYS B 1 15 ? 9.903 -1.922 -6.579 1.00 0.00 ? 15 LYS B CA 22 ATOM 30721 C C . LYS B 1 15 ? 8.891 -2.600 -5.659 1.00 0.00 ? 15 LYS B C 22 ATOM 30722 O O . LYS B 1 15 ? 7.746 -2.834 -6.046 1.00 0.00 ? 15 LYS B O 22 ATOM 30723 C CB . LYS B 1 15 ? 10.445 -2.929 -7.594 1.00 0.00 ? 15 LYS B CB 22 ATOM 30724 C CG . LYS B 1 15 ? 9.562 -3.093 -8.821 1.00 0.00 ? 15 LYS B CG 22 ATOM 30725 C CD . LYS B 1 15 ? 10.216 -3.983 -9.864 1.00 0.00 ? 15 LYS B CD 22 ATOM 30726 C CE . LYS B 1 15 ? 9.368 -4.085 -11.121 1.00 0.00 ? 15 LYS B CE 22 ATOM 30727 N NZ . LYS B 1 15 ? 10.199 -4.047 -12.357 1.00 0.00 ? 15 LYS B NZ 22 ATOM 30728 H H . LYS B 1 15 ? 11.887 -1.747 -5.866 1.00 0.00 ? 15 LYS B H 22 ATOM 30729 H HA . LYS B 1 15 ? 9.411 -1.118 -7.108 1.00 0.00 ? 15 LYS B HA 22 ATOM 30730 H HB2 . LYS B 1 15 ? 11.422 -2.604 -7.921 1.00 0.00 ? 15 LYS B HB2 22 ATOM 30731 H HB3 . LYS B 1 15 ? 10.537 -3.892 -7.114 1.00 0.00 ? 15 LYS B HB3 22 ATOM 30732 H HG2 . LYS B 1 15 ? 8.624 -3.536 -8.521 1.00 0.00 ? 15 LYS B HG2 22 ATOM 30733 H HG3 . LYS B 1 15 ? 9.380 -2.120 -9.254 1.00 0.00 ? 15 LYS B HG3 22 ATOM 30734 H HD2 . LYS B 1 15 ? 11.179 -3.569 -10.125 1.00 0.00 ? 15 LYS B HD2 22 ATOM 30735 H HD3 . LYS B 1 15 ? 10.348 -4.972 -9.449 1.00 0.00 ? 15 LYS B HD3 22 ATOM 30736 H HE2 . LYS B 1 15 ? 8.820 -5.014 -11.097 1.00 0.00 ? 15 LYS B HE2 22 ATOM 30737 H HE3 . LYS B 1 15 ? 8.674 -3.258 -11.139 1.00 0.00 ? 15 LYS B HE3 22 ATOM 30738 H HZ1 . LYS B 1 15 ? 11.191 -4.258 -12.128 1.00 0.00 ? 15 LYS B HZ1 22 ATOM 30739 H HZ2 . LYS B 1 15 ? 9.856 -4.750 -13.041 1.00 0.00 ? 15 LYS B HZ2 22 ATOM 30740 H HZ3 . LYS B 1 15 ? 10.148 -3.103 -12.793 1.00 0.00 ? 15 LYS B HZ3 22 ATOM 30741 N N . GLU B 1 16 ? 9.322 -2.918 -4.437 1.00 0.00 ? 16 GLU B N 22 ATOM 30742 C CA . GLU B 1 16 ? 8.454 -3.573 -3.465 1.00 0.00 ? 16 GLU B CA 22 ATOM 30743 C C . GLU B 1 16 ? 7.495 -2.579 -2.814 1.00 0.00 ? 16 GLU B C 22 ATOM 30744 O O . GLU B 1 16 ? 6.336 -2.905 -2.567 1.00 0.00 ? 16 GLU B O 22 ATOM 30745 C CB . GLU B 1 16 ? 9.292 -4.269 -2.391 1.00 0.00 ? 16 GLU B CB 22 ATOM 30746 C CG . GLU B 1 16 ? 9.682 -5.693 -2.752 1.00 0.00 ? 16 GLU B CG 22 ATOM 30747 C CD . GLU B 1 16 ? 8.598 -6.698 -2.417 1.00 0.00 ? 16 GLU B CD 22 ATOM 30748 O OE1 . GLU B 1 16 ? 7.502 -6.271 -1.996 1.00 0.00 ? 16 GLU B OE1 22 ATOM 30749 O OE2 . GLU B 1 16 ? 8.845 -7.912 -2.573 1.00 0.00 ? 16 GLU B OE2 22 ATOM 30750 H H . GLU B 1 16 ? 10.247 -2.714 -4.184 1.00 0.00 ? 16 GLU B H 22 ATOM 30751 H HA . GLU B 1 16 ? 7.875 -4.315 -3.992 1.00 0.00 ? 16 GLU B HA 22 ATOM 30752 H HB2 . GLU B 1 16 ? 10.195 -3.700 -2.230 1.00 0.00 ? 16 GLU B HB2 22 ATOM 30753 H HB3 . GLU B 1 16 ? 8.726 -4.296 -1.472 1.00 0.00 ? 16 GLU B HB3 22 ATOM 30754 H HG2 . GLU B 1 16 ? 9.880 -5.740 -3.813 1.00 0.00 ? 16 GLU B HG2 22 ATOM 30755 H HG3 . GLU B 1 16 ? 10.578 -5.955 -2.208 1.00 0.00 ? 16 GLU B HG3 22 ATOM 30756 N N . ILE B 1 17 ? 7.976 -1.369 -2.536 1.00 0.00 ? 17 ILE B N 22 ATOM 30757 C CA . ILE B 1 17 ? 7.139 -0.347 -1.915 1.00 0.00 ? 17 ILE B CA 22 ATOM 30758 C C . ILE B 1 17 ? 6.216 0.294 -2.944 1.00 0.00 ? 17 ILE B C 22 ATOM 30759 O O . ILE B 1 17 ? 5.124 0.758 -2.611 1.00 0.00 ? 17 ILE B O 22 ATOM 30760 C CB . ILE B 1 17 ? 7.991 0.742 -1.229 1.00 0.00 ? 17 ILE B CB 22 ATOM 30761 C CG1 . ILE B 1 17 ? 7.094 1.828 -0.617 1.00 0.00 ? 17 ILE B CG1 22 ATOM 30762 C CG2 . ILE B 1 17 ? 8.987 1.341 -2.214 1.00 0.00 ? 17 ILE B CG2 22 ATOM 30763 C CD1 . ILE B 1 17 ? 6.590 2.855 -1.612 1.00 0.00 ? 17 ILE B CD1 22 ATOM 30764 H H . ILE B 1 17 ? 8.910 -1.157 -2.754 1.00 0.00 ? 17 ILE B H 22 ATOM 30765 H HA . ILE B 1 17 ? 6.530 -0.826 -1.160 1.00 0.00 ? 17 ILE B HA 22 ATOM 30766 H HB . ILE B 1 17 ? 8.555 0.269 -0.437 1.00 0.00 ? 17 ILE B HB 22 ATOM 30767 H HG12 . ILE B 1 17 ? 6.233 1.359 -0.166 1.00 0.00 ? 17 ILE B HG12 22 ATOM 30768 H HG13 . ILE B 1 17 ? 7.651 2.352 0.146 1.00 0.00 ? 17 ILE B HG13 22 ATOM 30769 H HG21 . ILE B 1 17 ? 8.619 1.211 -3.221 1.00 0.00 ? 17 ILE B HG21 22 ATOM 30770 H HG22 . ILE B 1 17 ? 9.107 2.394 -2.007 1.00 0.00 ? 17 ILE B HG22 22 ATOM 30771 H HG23 . ILE B 1 17 ? 9.939 0.842 -2.110 1.00 0.00 ? 17 ILE B HG23 22 ATOM 30772 H HD11 . ILE B 1 17 ? 6.936 2.597 -2.603 1.00 0.00 ? 17 ILE B HD11 22 ATOM 30773 H HD12 . ILE B 1 17 ? 5.510 2.869 -1.600 1.00 0.00 ? 17 ILE B HD12 22 ATOM 30774 H HD13 . ILE B 1 17 ? 6.966 3.832 -1.343 1.00 0.00 ? 17 ILE B HD13 22 ATOM 30775 N N . GLU B 1 18 ? 6.653 0.306 -4.198 1.00 0.00 ? 18 GLU B N 22 ATOM 30776 C CA . GLU B 1 18 ? 5.857 0.878 -5.275 1.00 0.00 ? 18 GLU B CA 22 ATOM 30777 C C . GLU B 1 18 ? 4.796 -0.113 -5.735 1.00 0.00 ? 18 GLU B C 22 ATOM 30778 O O . GLU B 1 18 ? 3.686 0.274 -6.103 1.00 0.00 ? 18 GLU B O 22 ATOM 30779 C CB . GLU B 1 18 ? 6.752 1.272 -6.450 1.00 0.00 ? 18 GLU B CB 22 ATOM 30780 C CG . GLU B 1 18 ? 7.016 2.767 -6.540 1.00 0.00 ? 18 GLU B CG 22 ATOM 30781 C CD . GLU B 1 18 ? 7.932 3.129 -7.692 1.00 0.00 ? 18 GLU B CD 22 ATOM 30782 O OE1 . GLU B 1 18 ? 8.432 2.204 -8.367 1.00 0.00 ? 18 GLU B OE1 22 ATOM 30783 O OE2 . GLU B 1 18 ? 8.150 4.338 -7.920 1.00 0.00 ? 18 GLU B OE2 22 ATOM 30784 H H . GLU B 1 18 ? 7.527 -0.087 -4.404 1.00 0.00 ? 18 GLU B H 22 ATOM 30785 H HA . GLU B 1 18 ? 5.366 1.760 -4.892 1.00 0.00 ? 18 GLU B HA 22 ATOM 30786 H HB2 . GLU B 1 18 ? 7.702 0.767 -6.350 1.00 0.00 ? 18 GLU B HB2 22 ATOM 30787 H HB3 . GLU B 1 18 ? 6.281 0.956 -7.369 1.00 0.00 ? 18 GLU B HB3 22 ATOM 30788 H HG2 . GLU B 1 18 ? 6.073 3.278 -6.676 1.00 0.00 ? 18 GLU B HG2 22 ATOM 30789 H HG3 . GLU B 1 18 ? 7.472 3.095 -5.618 1.00 0.00 ? 18 GLU B HG3 22 ATOM 30790 N N . ARG B 1 19 ? 5.140 -1.397 -5.700 1.00 0.00 ? 19 ARG B N 22 ATOM 30791 C CA . ARG B 1 19 ? 4.213 -2.445 -6.104 1.00 0.00 ? 19 ARG B CA 22 ATOM 30792 C C . ARG B 1 19 ? 3.133 -2.632 -5.046 1.00 0.00 ? 19 ARG B C 22 ATOM 30793 O O . ARG B 1 19 ? 1.960 -2.826 -5.366 1.00 0.00 ? 19 ARG B O 22 ATOM 30794 C CB . ARG B 1 19 ? 4.960 -3.761 -6.331 1.00 0.00 ? 19 ARG B CB 22 ATOM 30795 C CG . ARG B 1 19 ? 5.676 -3.830 -7.669 1.00 0.00 ? 19 ARG B CG 22 ATOM 30796 C CD . ARG B 1 19 ? 4.713 -4.162 -8.799 1.00 0.00 ? 19 ARG B CD 22 ATOM 30797 N NE . ARG B 1 19 ? 5.308 -5.067 -9.777 1.00 0.00 ? 19 ARG B NE 22 ATOM 30798 C CZ . ARG B 1 19 ? 5.499 -6.365 -9.559 1.00 0.00 ? 19 ARG B CZ 22 ATOM 30799 N NH1 . ARG B 1 19 ? 5.143 -6.903 -8.400 1.00 0.00 ? 19 ARG B NH1 22 ATOM 30800 N NH2 . ARG B 1 19 ? 6.046 -7.124 -10.497 1.00 0.00 ? 19 ARG B NH2 22 ATOM 30801 H H . ARG B 1 19 ? 6.037 -1.644 -5.389 1.00 0.00 ? 19 ARG B H 22 ATOM 30802 H HA . ARG B 1 19 ? 3.747 -2.138 -7.028 1.00 0.00 ? 19 ARG B HA 22 ATOM 30803 H HB2 . ARG B 1 19 ? 5.694 -3.884 -5.547 1.00 0.00 ? 19 ARG B HB2 22 ATOM 30804 H HB3 . ARG B 1 19 ? 4.253 -4.576 -6.282 1.00 0.00 ? 19 ARG B HB3 22 ATOM 30805 H HG2 . ARG B 1 19 ? 6.137 -2.875 -7.871 1.00 0.00 ? 19 ARG B HG2 22 ATOM 30806 H HG3 . ARG B 1 19 ? 6.436 -4.596 -7.620 1.00 0.00 ? 19 ARG B HG3 22 ATOM 30807 H HD2 . ARG B 1 19 ? 3.833 -4.627 -8.380 1.00 0.00 ? 19 ARG B HD2 22 ATOM 30808 H HD3 . ARG B 1 19 ? 4.433 -3.244 -9.295 1.00 0.00 ? 19 ARG B HD3 22 ATOM 30809 H HE . ARG B 1 19 ? 5.578 -4.690 -10.639 1.00 0.00 ? 19 ARG B HE 22 ATOM 30810 H HH11 . ARG B 1 19 ? 4.731 -6.333 -7.690 1.00 0.00 ? 19 ARG B HH11 22 ATOM 30811 H HH12 . ARG B 1 19 ? 5.287 -7.879 -8.237 1.00 0.00 ? 19 ARG B HH12 22 ATOM 30812 H HH21 . ARG B 1 19 ? 6.316 -6.721 -11.372 1.00 0.00 ? 19 ARG B HH21 22 ATOM 30813 H HH22 . ARG B 1 19 ? 6.189 -8.099 -10.331 1.00 0.00 ? 19 ARG B HH22 22 ATOM 30814 N N . LEU B 1 20 ? 3.538 -2.559 -3.781 1.00 0.00 ? 20 LEU B N 22 ATOM 30815 C CA . LEU B 1 20 ? 2.603 -2.710 -2.679 1.00 0.00 ? 20 LEU B CA 22 ATOM 30816 C C . LEU B 1 20 ? 1.627 -1.542 -2.657 1.00 0.00 ? 20 LEU B C 22 ATOM 30817 O O . LEU B 1 20 ? 0.432 -1.724 -2.426 1.00 0.00 ? 20 LEU B O 22 ATOM 30818 C CB . LEU B 1 20 ? 3.354 -2.796 -1.349 1.00 0.00 ? 20 LEU B CB 22 ATOM 30819 C CG . LEU B 1 20 ? 2.929 -3.948 -0.435 1.00 0.00 ? 20 LEU B CG 22 ATOM 30820 C CD1 . LEU B 1 20 ? 1.414 -4.050 -0.371 1.00 0.00 ? 20 LEU B CD1 22 ATOM 30821 C CD2 . LEU B 1 20 ? 3.533 -5.258 -0.918 1.00 0.00 ? 20 LEU B CD2 22 ATOM 30822 H H . LEU B 1 20 ? 4.484 -2.393 -3.587 1.00 0.00 ? 20 LEU B H 22 ATOM 30823 H HA . LEU B 1 20 ? 2.050 -3.625 -2.832 1.00 0.00 ? 20 LEU B HA 22 ATOM 30824 H HB2 . LEU B 1 20 ? 4.406 -2.903 -1.561 1.00 0.00 ? 20 LEU B HB2 22 ATOM 30825 H HB3 . LEU B 1 20 ? 3.205 -1.870 -0.815 1.00 0.00 ? 20 LEU B HB3 22 ATOM 30826 H HG . LEU B 1 20 ? 3.293 -3.759 0.564 1.00 0.00 ? 20 LEU B HG 22 ATOM 30827 H HD11 . LEU B 1 20 ? 0.974 -3.166 -0.811 1.00 0.00 ? 20 LEU B HD11 22 ATOM 30828 H HD12 . LEU B 1 20 ? 1.088 -4.923 -0.916 1.00 0.00 ? 20 LEU B HD12 22 ATOM 30829 H HD13 . LEU B 1 20 ? 1.102 -4.130 0.660 1.00 0.00 ? 20 LEU B HD13 22 ATOM 30830 H HD21 . LEU B 1 20 ? 4.578 -5.110 -1.149 1.00 0.00 ? 20 LEU B HD21 22 ATOM 30831 H HD22 . LEU B 1 20 ? 3.438 -6.005 -0.143 1.00 0.00 ? 20 LEU B HD22 22 ATOM 30832 H HD23 . LEU B 1 20 ? 3.012 -5.590 -1.804 1.00 0.00 ? 20 LEU B HD23 22 ATOM 30833 N N . GLN B 1 21 ? 2.145 -0.342 -2.908 1.00 0.00 ? 21 GLN B N 22 ATOM 30834 C CA . GLN B 1 21 ? 1.316 0.857 -2.925 1.00 0.00 ? 21 GLN B CA 22 ATOM 30835 C C . GLN B 1 21 ? 0.232 0.746 -3.990 1.00 0.00 ? 21 GLN B C 22 ATOM 30836 O O . GLN B 1 21 ? -0.920 1.109 -3.758 1.00 0.00 ? 21 GLN B O 22 ATOM 30837 C CB . GLN B 1 21 ? 2.178 2.095 -3.183 1.00 0.00 ? 21 GLN B CB 22 ATOM 30838 C CG . GLN B 1 21 ? 1.599 3.371 -2.594 1.00 0.00 ? 21 GLN B CG 22 ATOM 30839 C CD . GLN B 1 21 ? 2.524 4.561 -2.761 1.00 0.00 ? 21 GLN B CD 22 ATOM 30840 O OE1 . GLN B 1 21 ? 3.135 5.027 -1.799 1.00 0.00 ? 21 GLN B OE1 22 ATOM 30841 N NE2 . GLN B 1 21 ? 2.630 5.061 -3.987 1.00 0.00 ? 21 GLN B NE2 22 ATOM 30842 H H . GLN B 1 21 ? 3.106 -0.263 -3.092 1.00 0.00 ? 21 GLN B H 22 ATOM 30843 H HA . GLN B 1 21 ? 0.846 0.950 -1.959 1.00 0.00 ? 21 GLN B HA 22 ATOM 30844 H HB2 . GLN B 1 21 ? 3.154 1.935 -2.751 1.00 0.00 ? 21 GLN B HB2 22 ATOM 30845 H HB3 . GLN B 1 21 ? 2.283 2.231 -4.249 1.00 0.00 ? 21 GLN B HB3 22 ATOM 30846 H HG2 . GLN B 1 21 ? 0.665 3.589 -3.089 1.00 0.00 ? 21 GLN B HG2 22 ATOM 30847 H HG3 . GLN B 1 21 ? 1.420 3.218 -1.540 1.00 0.00 ? 21 GLN B HG3 22 ATOM 30848 H HE21 . GLN B 1 21 ? 2.113 4.639 -4.705 1.00 0.00 ? 21 GLN B HE21 22 ATOM 30849 H HE22 . GLN B 1 21 ? 3.222 5.831 -4.124 1.00 0.00 ? 21 GLN B HE22 22 ATOM 30850 N N . LYS B 1 22 ? 0.609 0.238 -5.159 1.00 0.00 ? 22 LYS B N 22 ATOM 30851 C CA . LYS B 1 22 ? -0.335 0.074 -6.258 1.00 0.00 ? 22 LYS B CA 22 ATOM 30852 C C . LYS B 1 22 ? -1.477 -0.850 -5.850 1.00 0.00 ? 22 LYS B C 22 ATOM 30853 O O . LYS B 1 22 ? -2.637 -0.604 -6.180 1.00 0.00 ? 22 LYS B O 22 ATOM 30854 C CB . LYS B 1 22 ? 0.375 -0.485 -7.492 1.00 0.00 ? 22 LYS B CB 22 ATOM 30855 C CG . LYS B 1 22 ? -0.105 0.124 -8.798 1.00 0.00 ? 22 LYS B CG 22 ATOM 30856 C CD . LYS B 1 22 ? -0.252 -0.929 -9.883 1.00 0.00 ? 22 LYS B CD 22 ATOM 30857 C CE . LYS B 1 22 ? 1.069 -1.624 -10.169 1.00 0.00 ? 22 LYS B CE 22 ATOM 30858 N NZ . LYS B 1 22 ? 1.039 -2.367 -11.459 1.00 0.00 ? 22 LYS B NZ 22 ATOM 30859 H H . LYS B 1 22 ? 1.543 -0.037 -5.286 1.00 0.00 ? 22 LYS B H 22 ATOM 30860 H HA . LYS B 1 22 ? -0.740 1.046 -6.495 1.00 0.00 ? 22 LYS B HA 22 ATOM 30861 H HB2 . LYS B 1 22 ? 1.435 -0.296 -7.399 1.00 0.00 ? 22 LYS B HB2 22 ATOM 30862 H HB3 . LYS B 1 22 ? 0.212 -1.551 -7.535 1.00 0.00 ? 22 LYS B HB3 22 ATOM 30863 H HG2 . LYS B 1 22 ? -1.063 0.594 -8.635 1.00 0.00 ? 22 LYS B HG2 22 ATOM 30864 H HG3 . LYS B 1 22 ? 0.611 0.865 -9.124 1.00 0.00 ? 22 LYS B HG3 22 ATOM 30865 H HD2 . LYS B 1 22 ? -0.973 -1.666 -9.561 1.00 0.00 ? 22 LYS B HD2 22 ATOM 30866 H HD3 . LYS B 1 22 ? -0.601 -0.454 -10.788 1.00 0.00 ? 22 LYS B HD3 22 ATOM 30867 H HE2 . LYS B 1 22 ? 1.851 -0.881 -10.209 1.00 0.00 ? 22 LYS B HE2 22 ATOM 30868 H HE3 . LYS B 1 22 ? 1.275 -2.320 -9.367 1.00 0.00 ? 22 LYS B HE3 22 ATOM 30869 H HZ1 . LYS B 1 22 ? 0.249 -3.043 -11.465 1.00 0.00 ? 22 LYS B HZ1 22 ATOM 30870 H HZ2 . LYS B 1 22 ? 0.920 -1.703 -12.250 1.00 0.00 ? 22 LYS B HZ2 22 ATOM 30871 H HZ3 . LYS B 1 22 ? 1.928 -2.890 -11.591 1.00 0.00 ? 22 LYS B HZ3 22 ATOM 30872 N N . GLU B 1 23 ? -1.140 -1.915 -5.131 1.00 0.00 ? 23 GLU B N 22 ATOM 30873 C CA . GLU B 1 23 ? -2.137 -2.878 -4.675 1.00 0.00 ? 23 GLU B CA 22 ATOM 30874 C C . GLU B 1 23 ? -3.161 -2.216 -3.756 1.00 0.00 ? 23 GLU B C 22 ATOM 30875 O O . GLU B 1 23 ? -4.371 -2.392 -3.927 1.00 0.00 ? 23 GLU B O 22 ATOM 30876 C CB . GLU B 1 23 ? -1.458 -4.040 -3.948 1.00 0.00 ? 23 GLU B CB 22 ATOM 30877 C CG . GLU B 1 23 ? -1.236 -5.261 -4.825 1.00 0.00 ? 23 GLU B CG 22 ATOM 30878 C CD . GLU B 1 23 ? 0.052 -5.989 -4.497 1.00 0.00 ? 23 GLU B CD 22 ATOM 30879 O OE1 . GLU B 1 23 ? 1.107 -5.324 -4.422 1.00 0.00 ? 23 GLU B OE1 22 ATOM 30880 O OE2 . GLU B 1 23 ? 0.007 -7.223 -4.314 1.00 0.00 ? 23 GLU B OE2 22 ATOM 30881 H H . GLU B 1 23 ? -0.196 -2.058 -4.899 1.00 0.00 ? 23 GLU B H 22 ATOM 30882 H HA . GLU B 1 23 ? -2.648 -3.261 -5.546 1.00 0.00 ? 23 GLU B HA 22 ATOM 30883 H HB2 . GLU B 1 23 ? -0.499 -3.708 -3.581 1.00 0.00 ? 23 GLU B HB2 22 ATOM 30884 H HB3 . GLU B 1 23 ? -2.073 -4.333 -3.109 1.00 0.00 ? 23 GLU B HB3 22 ATOM 30885 H HG2 . GLU B 1 23 ? -2.062 -5.943 -4.686 1.00 0.00 ? 23 GLU B HG2 22 ATOM 30886 H HG3 . GLU B 1 23 ? -1.201 -4.945 -5.858 1.00 0.00 ? 23 GLU B HG3 22 ATOM 30887 N N . ILE B 1 24 ? -2.675 -1.452 -2.782 1.00 0.00 ? 24 ILE B N 22 ATOM 30888 C CA . ILE B 1 24 ? -3.564 -0.771 -1.847 1.00 0.00 ? 24 ILE B CA 22 ATOM 30889 C C . ILE B 1 24 ? -4.512 0.158 -2.607 1.00 0.00 ? 24 ILE B C 22 ATOM 30890 O O . ILE B 1 24 ? -5.678 0.310 -2.243 1.00 0.00 ? 24 ILE B O 22 ATOM 30891 C CB . ILE B 1 24 ? -2.782 0.013 -0.742 1.00 0.00 ? 24 ILE B CB 22 ATOM 30892 C CG1 . ILE B 1 24 ? -2.508 1.470 -1.138 1.00 0.00 ? 24 ILE B CG1 22 ATOM 30893 C CG2 . ILE B 1 24 ? -1.473 -0.687 -0.407 1.00 0.00 ? 24 ILE B CG2 22 ATOM 30894 C CD1 . ILE B 1 24 ? -3.613 2.415 -0.719 1.00 0.00 ? 24 ILE B CD1 22 ATOM 30895 H H . ILE B 1 24 ? -1.705 -1.344 -2.697 1.00 0.00 ? 24 ILE B H 22 ATOM 30896 H HA . ILE B 1 24 ? -4.157 -1.532 -1.357 1.00 0.00 ? 24 ILE B HA 22 ATOM 30897 H HB . ILE B 1 24 ? -3.390 0.006 0.152 1.00 0.00 ? 24 ILE B HB 22 ATOM 30898 H HG12 . ILE B 1 24 ? -1.593 1.800 -0.671 1.00 0.00 ? 24 ILE B HG12 22 ATOM 30899 H HG13 . ILE B 1 24 ? -2.404 1.533 -2.211 1.00 0.00 ? 24 ILE B HG13 22 ATOM 30900 H HG21 . ILE B 1 24 ? -1.620 -1.757 -0.427 1.00 0.00 ? 24 ILE B HG21 22 ATOM 30901 H HG22 . ILE B 1 24 ? -0.724 -0.410 -1.133 1.00 0.00 ? 24 ILE B HG22 22 ATOM 30902 H HG23 . ILE B 1 24 ? -1.147 -0.387 0.578 1.00 0.00 ? 24 ILE B HG23 22 ATOM 30903 H HD11 . ILE B 1 24 ? -4.392 1.856 -0.217 1.00 0.00 ? 24 ILE B HD11 22 ATOM 30904 H HD12 . ILE B 1 24 ? -3.214 3.160 -0.048 1.00 0.00 ? 24 ILE B HD12 22 ATOM 30905 H HD13 . ILE B 1 24 ? -4.024 2.899 -1.593 1.00 0.00 ? 24 ILE B HD13 22 ATOM 30906 N N . GLU B 1 25 ? -3.995 0.770 -3.670 1.00 0.00 ? 25 GLU B N 22 ATOM 30907 C CA . GLU B 1 25 ? -4.782 1.676 -4.493 1.00 0.00 ? 25 GLU B CA 22 ATOM 30908 C C . GLU B 1 25 ? -5.987 0.951 -5.079 1.00 0.00 ? 25 GLU B C 22 ATOM 30909 O O . GLU B 1 25 ? -7.100 1.474 -5.076 1.00 0.00 ? 25 GLU B O 22 ATOM 30910 C CB . GLU B 1 25 ? -3.924 2.259 -5.617 1.00 0.00 ? 25 GLU B CB 22 ATOM 30911 C CG . GLU B 1 25 ? -4.460 3.566 -6.177 1.00 0.00 ? 25 GLU B CG 22 ATOM 30912 C CD . GLU B 1 25 ? -3.476 4.709 -6.035 1.00 0.00 ? 25 GLU B CD 22 ATOM 30913 O OE1 . GLU B 1 25 ? -2.829 4.807 -4.971 1.00 0.00 ? 25 GLU B OE1 22 ATOM 30914 O OE2 . GLU B 1 25 ? -3.350 5.507 -6.989 1.00 0.00 ? 25 GLU B OE2 22 ATOM 30915 H H . GLU B 1 25 ? -3.059 0.601 -3.908 1.00 0.00 ? 25 GLU B H 22 ATOM 30916 H HA . GLU B 1 25 ? -5.132 2.480 -3.862 1.00 0.00 ? 25 GLU B HA 22 ATOM 30917 H HB2 . GLU B 1 25 ? -2.928 2.437 -5.238 1.00 0.00 ? 25 GLU B HB2 22 ATOM 30918 H HB3 . GLU B 1 25 ? -3.871 1.541 -6.423 1.00 0.00 ? 25 GLU B HB3 22 ATOM 30919 H HG2 . GLU B 1 25 ? -4.682 3.430 -7.225 1.00 0.00 ? 25 GLU B HG2 22 ATOM 30920 H HG3 . GLU B 1 25 ? -5.367 3.823 -5.649 1.00 0.00 ? 25 GLU B HG3 22 ATOM 30921 N N . ARG B 1 26 ? -5.756 -0.263 -5.573 1.00 0.00 ? 26 ARG B N 22 ATOM 30922 C CA . ARG B 1 26 ? -6.827 -1.063 -6.150 1.00 0.00 ? 26 ARG B CA 22 ATOM 30923 C C . ARG B 1 26 ? -7.956 -1.232 -5.140 1.00 0.00 ? 26 ARG B C 22 ATOM 30924 O O . ARG B 1 26 ? -9.125 -1.001 -5.451 1.00 0.00 ? 26 ARG B O 22 ATOM 30925 C CB . ARG B 1 26 ? -6.299 -2.432 -6.581 1.00 0.00 ? 26 ARG B CB 22 ATOM 30926 C CG . ARG B 1 26 ? -5.338 -2.371 -7.758 1.00 0.00 ? 26 ARG B CG 22 ATOM 30927 C CD . ARG B 1 26 ? -5.144 -3.739 -8.390 1.00 0.00 ? 26 ARG B CD 22 ATOM 30928 N NE . ARG B 1 26 ? -3.732 -4.095 -8.501 1.00 0.00 ? 26 ARG B NE 22 ATOM 30929 C CZ . ARG B 1 26 ? -3.302 -5.280 -8.922 1.00 0.00 ? 26 ARG B CZ 22 ATOM 30930 N NH1 . ARG B 1 26 ? -4.173 -6.219 -9.269 1.00 0.00 ? 26 ARG B NH1 22 ATOM 30931 N NH2 . ARG B 1 26 ? -2.002 -5.528 -8.996 1.00 0.00 ? 26 ARG B NH2 22 ATOM 30932 H H . ARG B 1 26 ? -4.848 -0.630 -5.539 1.00 0.00 ? 26 ARG B H 22 ATOM 30933 H HA . ARG B 1 26 ? -7.206 -0.540 -7.016 1.00 0.00 ? 26 ARG B HA 22 ATOM 30934 H HB2 . ARG B 1 26 ? -5.784 -2.886 -5.747 1.00 0.00 ? 26 ARG B HB2 22 ATOM 30935 H HB3 . ARG B 1 26 ? -7.136 -3.056 -6.860 1.00 0.00 ? 26 ARG B HB3 22 ATOM 30936 H HG2 . ARG B 1 26 ? -5.737 -1.696 -8.500 1.00 0.00 ? 26 ARG B HG2 22 ATOM 30937 H HG3 . ARG B 1 26 ? -4.383 -2.004 -7.410 1.00 0.00 ? 26 ARG B HG3 22 ATOM 30938 H HD2 . ARG B 1 26 ? -5.644 -4.477 -7.780 1.00 0.00 ? 26 ARG B HD2 22 ATOM 30939 H HD3 . ARG B 1 26 ? -5.582 -3.732 -9.376 1.00 0.00 ? 26 ARG B HD3 22 ATOM 30940 H HE . ARG B 1 26 ? -3.071 -3.416 -8.250 1.00 0.00 ? 26 ARG B HE 22 ATOM 30941 H HH11 . ARG B 1 26 ? -5.155 -6.035 -9.213 1.00 0.00 ? 26 ARG B HH11 22 ATOM 30942 H HH12 . ARG B 1 26 ? -3.848 -7.109 -9.585 1.00 0.00 ? 26 ARG B HH12 22 ATOM 30943 H HH21 . ARG B 1 26 ? -1.343 -4.823 -8.736 1.00 0.00 ? 26 ARG B HH21 22 ATOM 30944 H HH22 . ARG B 1 26 ? -1.681 -6.421 -9.312 1.00 0.00 ? 26 ARG B HH22 22 ATOM 30945 N N . HIS B 1 27 ? -7.592 -1.622 -3.923 1.00 0.00 ? 27 HIS B N 22 ATOM 30946 C CA . HIS B 1 27 ? -8.572 -1.806 -2.860 1.00 0.00 ? 27 HIS B CA 22 ATOM 30947 C C . HIS B 1 27 ? -9.247 -0.479 -2.528 1.00 0.00 ? 27 HIS B C 22 ATOM 30948 O O . HIS B 1 27 ? -10.379 -0.448 -2.046 1.00 0.00 ? 27 HIS B O 22 ATOM 30949 C CB . HIS B 1 27 ? -7.903 -2.382 -1.611 1.00 0.00 ? 27 HIS B CB 22 ATOM 30950 C CG . HIS B 1 27 ? -8.325 -3.784 -1.299 1.00 0.00 ? 27 HIS B CG 22 ATOM 30951 N ND1 . HIS B 1 27 ? -9.617 -4.123 -0.958 1.00 0.00 ? 27 HIS B ND1 22 ATOM 30952 C CD2 . HIS B 1 27 ? -7.617 -4.938 -1.280 1.00 0.00 ? 27 HIS B CD2 22 ATOM 30953 C CE1 . HIS B 1 27 ? -9.686 -5.425 -0.740 1.00 0.00 ? 27 HIS B CE1 22 ATOM 30954 N NE2 . HIS B 1 27 ? -8.486 -5.941 -0.929 1.00 0.00 ? 27 HIS B NE2 22 ATOM 30955 H H . HIS B 1 27 ? -6.641 -1.780 -3.731 1.00 0.00 ? 27 HIS B H 22 ATOM 30956 H HA . HIS B 1 27 ? -9.320 -2.500 -3.214 1.00 0.00 ? 27 HIS B HA 22 ATOM 30957 H HB2 . HIS B 1 27 ? -6.833 -2.381 -1.752 1.00 0.00 ? 27 HIS B HB2 22 ATOM 30958 H HB3 . HIS B 1 27 ? -8.151 -1.762 -0.762 1.00 0.00 ? 27 HIS B HB3 22 ATOM 30959 H HD1 . HIS B 1 27 ? -10.372 -3.502 -0.885 1.00 0.00 ? 27 HIS B HD1 22 ATOM 30960 H HD2 . HIS B 1 27 ? -6.564 -5.049 -1.498 1.00 0.00 ? 27 HIS B HD2 22 ATOM 30961 H HE1 . HIS B 1 27 ? -10.573 -5.973 -0.458 1.00 0.00 ? 27 HIS B HE1 22 ATOM 30962 H HE2 . HIS B 1 27 ? -8.257 -6.889 -0.834 1.00 0.00 ? 27 HIS B HE2 22 ATOM 30963 N N . LYS B 1 28 ? -8.540 0.618 -2.794 1.00 0.00 ? 28 LYS B N 22 ATOM 30964 C CA . LYS B 1 28 ? -9.064 1.951 -2.529 1.00 0.00 ? 28 LYS B CA 22 ATOM 30965 C C . LYS B 1 28 ? -10.083 2.355 -3.589 1.00 0.00 ? 28 LYS B C 22 ATOM 30966 O O . LYS B 1 28 ? -10.963 3.178 -3.337 1.00 0.00 ? 28 LYS B O 22 ATOM 30967 C CB . LYS B 1 28 ? -7.925 2.971 -2.485 1.00 0.00 ? 28 LYS B CB 22 ATOM 30968 C CG . LYS B 1 28 ? -8.261 4.225 -1.694 1.00 0.00 ? 28 LYS B CG 22 ATOM 30969 C CD . LYS B 1 28 ? -7.951 5.483 -2.488 1.00 0.00 ? 28 LYS B CD 22 ATOM 30970 C CE . LYS B 1 28 ? -6.453 5.695 -2.633 1.00 0.00 ? 28 LYS B CE 22 ATOM 30971 N NZ . LYS B 1 28 ? -6.138 6.888 -3.467 1.00 0.00 ? 28 LYS B NZ 22 ATOM 30972 H H . LYS B 1 28 ? -7.644 0.527 -3.179 1.00 0.00 ? 28 LYS B H 22 ATOM 30973 H HA . LYS B 1 28 ? -9.552 1.929 -1.568 1.00 0.00 ? 28 LYS B HA 22 ATOM 30974 H HB2 . LYS B 1 28 ? -7.060 2.508 -2.035 1.00 0.00 ? 28 LYS B HB2 22 ATOM 30975 H HB3 . LYS B 1 28 ? -7.681 3.263 -3.495 1.00 0.00 ? 28 LYS B HB3 22 ATOM 30976 H HG2 . LYS B 1 28 ? -9.313 4.215 -1.450 1.00 0.00 ? 28 LYS B HG2 22 ATOM 30977 H HG3 . LYS B 1 28 ? -7.679 4.231 -0.784 1.00 0.00 ? 28 LYS B HG3 22 ATOM 30978 H HD2 . LYS B 1 28 ? -8.389 5.394 -3.470 1.00 0.00 ? 28 LYS B HD2 22 ATOM 30979 H HD3 . LYS B 1 28 ? -8.378 6.334 -1.976 1.00 0.00 ? 28 LYS B HD3 22 ATOM 30980 H HE2 . LYS B 1 28 ? -6.024 5.832 -1.651 1.00 0.00 ? 28 LYS B HE2 22 ATOM 30981 H HE3 . LYS B 1 28 ? -6.021 4.819 -3.096 1.00 0.00 ? 28 LYS B HE3 22 ATOM 30982 H HZ1 . LYS B 1 28 ? -6.985 7.484 -3.572 1.00 0.00 ? 28 LYS B HZ1 22 ATOM 30983 H HZ2 . LYS B 1 28 ? -5.388 7.450 -3.020 1.00 0.00 ? 28 LYS B HZ2 22 ATOM 30984 H HZ3 . LYS B 1 28 ? -5.818 6.591 -4.411 1.00 0.00 ? 28 LYS B HZ3 22 ATOM 30985 N N . GLN B 1 29 ? -9.961 1.767 -4.774 1.00 0.00 ? 29 GLN B N 22 ATOM 30986 C CA . GLN B 1 29 ? -10.873 2.062 -5.871 1.00 0.00 ? 29 GLN B CA 22 ATOM 30987 C C . GLN B 1 29 ? -12.215 1.377 -5.650 1.00 0.00 ? 29 GLN B C 22 ATOM 30988 O O . GLN B 1 29 ? -13.270 1.953 -5.915 1.00 0.00 ? 29 GLN B O 22 ATOM 30989 C CB . GLN B 1 29 ? -10.269 1.613 -7.202 1.00 0.00 ? 29 GLN B CB 22 ATOM 30990 C CG . GLN B 1 29 ? -11.172 1.871 -8.398 1.00 0.00 ? 29 GLN B CG 22 ATOM 30991 C CD . GLN B 1 29 ? -10.741 1.101 -9.631 1.00 0.00 ? 29 GLN B CD 22 ATOM 30992 O OE1 . GLN B 1 29 ? -9.624 0.590 -9.698 1.00 0.00 ? 29 GLN B OE1 22 ATOM 30993 N NE2 . GLN B 1 29 ? -11.628 1.016 -10.615 1.00 0.00 ? 29 GLN B NE2 22 ATOM 30994 H H . GLN B 1 29 ? -9.242 1.117 -4.913 1.00 0.00 ? 29 GLN B H 22 ATOM 30995 H HA . GLN B 1 29 ? -11.028 3.131 -5.896 1.00 0.00 ? 29 GLN B HA 22 ATOM 30996 H HB2 . GLN B 1 29 ? -9.340 2.140 -7.359 1.00 0.00 ? 29 GLN B HB2 22 ATOM 30997 H HB3 . GLN B 1 29 ? -10.067 0.553 -7.153 1.00 0.00 ? 29 GLN B HB3 22 ATOM 30998 H HG2 . GLN B 1 29 ? -12.179 1.577 -8.142 1.00 0.00 ? 29 GLN B HG2 22 ATOM 30999 H HG3 . GLN B 1 29 ? -11.153 2.927 -8.626 1.00 0.00 ? 29 GLN B HG3 22 ATOM 31000 H HE21 . GLN B 1 29 ? -12.499 1.448 -10.492 1.00 0.00 ? 29 GLN B HE21 22 ATOM 31001 H HE22 . GLN B 1 29 ? -11.376 0.523 -11.424 1.00 0.00 ? 29 GLN B HE22 22 ATOM 31002 N N . SER B 1 30 ? -12.168 0.143 -5.159 1.00 0.00 ? 30 SER B N 22 ATOM 31003 C CA . SER B 1 30 ? -13.381 -0.622 -4.898 1.00 0.00 ? 30 SER B CA 22 ATOM 31004 C C . SER B 1 30 ? -14.161 -0.022 -3.733 1.00 0.00 ? 30 SER B C 22 ATOM 31005 O O . SER B 1 30 ? -15.388 0.075 -3.778 1.00 0.00 ? 30 SER B O 22 ATOM 31006 C CB . SER B 1 30 ? -13.035 -2.082 -4.599 1.00 0.00 ? 30 SER B CB 22 ATOM 31007 O OG . SER B 1 30 ? -12.233 -2.638 -5.626 1.00 0.00 ? 30 SER B OG 22 ATOM 31008 H H . SER B 1 30 ? -11.294 -0.263 -4.967 1.00 0.00 ? 30 SER B H 22 ATOM 31009 H HA . SER B 1 30 ? -13.995 -0.582 -5.785 1.00 0.00 ? 30 SER B HA 22 ATOM 31010 H HB2 . SER B 1 30 ? -12.493 -2.137 -3.666 1.00 0.00 ? 30 SER B HB2 22 ATOM 31011 H HB3 . SER B 1 30 ? -13.947 -2.656 -4.519 1.00 0.00 ? 30 SER B HB3 22 ATOM 31012 H HG . SER B 1 30 ? -11.364 -2.847 -5.276 1.00 0.00 ? 30 SER B HG 22 ATOM 31013 N N . ILE B 1 31 ? -13.442 0.380 -2.689 1.00 0.00 ? 31 ILE B N 22 ATOM 31014 C CA . ILE B 1 31 ? -14.067 0.972 -1.512 1.00 0.00 ? 31 ILE B CA 22 ATOM 31015 C C . ILE B 1 31 ? -14.563 2.382 -1.810 1.00 0.00 ? 31 ILE B C 22 ATOM 31016 O O . ILE B 1 31 ? -15.505 2.866 -1.182 1.00 0.00 ? 31 ILE B O 22 ATOM 31017 C CB . ILE B 1 31 ? -13.083 1.007 -0.327 1.00 0.00 ? 31 ILE B CB 22 ATOM 31018 C CG1 . ILE B 1 31 ? -13.708 1.682 0.894 1.00 0.00 ? 31 ILE B CG1 22 ATOM 31019 C CG2 . ILE B 1 31 ? -11.802 1.719 -0.727 1.00 0.00 ? 31 ILE B CG2 22 ATOM 31020 C CD1 . ILE B 1 31 ? -14.691 0.803 1.631 1.00 0.00 ? 31 ILE B CD1 22 ATOM 31021 H H . ILE B 1 31 ? -12.465 0.278 -2.711 1.00 0.00 ? 31 ILE B H 22 ATOM 31022 H HA . ILE B 1 31 ? -14.910 0.355 -1.236 1.00 0.00 ? 31 ILE B HA 22 ATOM 31023 H HB . ILE B 1 31 ? -12.835 -0.011 -0.075 1.00 0.00 ? 31 ILE B HB 22 ATOM 31024 H HG12 . ILE B 1 31 ? -12.922 1.949 1.586 1.00 0.00 ? 31 ILE B HG12 22 ATOM 31025 H HG13 . ILE B 1 31 ? -14.227 2.576 0.583 1.00 0.00 ? 31 ILE B HG13 22 ATOM 31026 H HG21 . ILE B 1 31 ? -11.789 1.861 -1.797 1.00 0.00 ? 31 ILE B HG21 22 ATOM 31027 H HG22 . ILE B 1 31 ? -11.757 2.679 -0.235 1.00 0.00 ? 31 ILE B HG22 22 ATOM 31028 H HG23 . ILE B 1 31 ? -10.952 1.122 -0.432 1.00 0.00 ? 31 ILE B HG23 22 ATOM 31029 H HD11 . ILE B 1 31 ? -15.368 0.347 0.924 1.00 0.00 ? 31 ILE B HD11 22 ATOM 31030 H HD12 . ILE B 1 31 ? -14.152 0.032 2.161 1.00 0.00 ? 31 ILE B HD12 22 ATOM 31031 H HD13 . ILE B 1 31 ? -15.250 1.400 2.334 1.00 0.00 ? 31 ILE B HD13 22 ATOM 31032 N N . LYS B 1 32 ? -13.927 3.034 -2.777 1.00 0.00 ? 32 LYS B N 22 ATOM 31033 C CA . LYS B 1 32 ? -14.310 4.386 -3.164 1.00 0.00 ? 32 LYS B CA 22 ATOM 31034 C C . LYS B 1 32 ? -15.585 4.363 -3.998 1.00 0.00 ? 32 LYS B C 22 ATOM 31035 O O . LYS B 1 32 ? -16.415 5.268 -3.910 1.00 0.00 ? 32 LYS B O 22 ATOM 31036 C CB . LYS B 1 32 ? -13.182 5.057 -3.950 1.00 0.00 ? 32 LYS B CB 22 ATOM 31037 C CG . LYS B 1 32 ? -12.120 5.692 -3.068 1.00 0.00 ? 32 LYS B CG 22 ATOM 31038 C CD . LYS B 1 32 ? -12.635 6.958 -2.401 1.00 0.00 ? 32 LYS B CD 22 ATOM 31039 C CE . LYS B 1 32 ? -12.370 6.946 -0.904 1.00 0.00 ? 32 LYS B CE 22 ATOM 31040 N NZ . LYS B 1 32 ? -12.488 8.305 -0.308 1.00 0.00 ? 32 LYS B NZ 22 ATOM 31041 H H . LYS B 1 32 ? -13.188 2.594 -3.247 1.00 0.00 ? 32 LYS B H 22 ATOM 31042 H HA . LYS B 1 32 ? -14.495 4.949 -2.262 1.00 0.00 ? 32 LYS B HA 22 ATOM 31043 H HB2 . LYS B 1 32 ? -12.704 4.316 -4.574 1.00 0.00 ? 32 LYS B HB2 22 ATOM 31044 H HB3 . LYS B 1 32 ? -13.604 5.826 -4.579 1.00 0.00 ? 32 LYS B HB3 22 ATOM 31045 H HG2 . LYS B 1 32 ? -11.831 4.987 -2.303 1.00 0.00 ? 32 LYS B HG2 22 ATOM 31046 H HG3 . LYS B 1 32 ? -11.262 5.940 -3.675 1.00 0.00 ? 32 LYS B HG3 22 ATOM 31047 H HD2 . LYS B 1 32 ? -12.138 7.811 -2.837 1.00 0.00 ? 32 LYS B HD2 22 ATOM 31048 H HD3 . LYS B 1 32 ? -13.700 7.034 -2.569 1.00 0.00 ? 32 LYS B HD3 22 ATOM 31049 H HE2 . LYS B 1 32 ? -13.087 6.291 -0.430 1.00 0.00 ? 32 LYS B HE2 22 ATOM 31050 H HE3 . LYS B 1 32 ? -11.372 6.572 -0.732 1.00 0.00 ? 32 LYS B HE3 22 ATOM 31051 H HZ1 . LYS B 1 32 ? -13.192 8.866 -0.830 1.00 0.00 ? 32 LYS B HZ1 22 ATOM 31052 H HZ2 . LYS B 1 32 ? -12.786 8.235 0.686 1.00 0.00 ? 32 LYS B HZ2 22 ATOM 31053 H HZ3 . LYS B 1 32 ? -11.572 8.795 -0.350 1.00 0.00 ? 32 LYS B HZ3 22 ATOM 31054 N N . LYS B 1 33 ? -15.738 3.315 -4.803 1.00 0.00 ? 33 LYS B N 22 ATOM 31055 C CA . LYS B 1 33 ? -16.917 3.167 -5.647 1.00 0.00 ? 33 LYS B CA 22 ATOM 31056 C C . LYS B 1 33 ? -18.130 2.788 -4.806 1.00 0.00 ? 33 LYS B C 22 ATOM 31057 O O . LYS B 1 33 ? -19.257 3.179 -5.108 1.00 0.00 ? 33 LYS B O 22 ATOM 31058 C CB . LYS B 1 33 ? -16.673 2.108 -6.722 1.00 0.00 ? 33 LYS B CB 22 ATOM 31059 C CG . LYS B 1 33 ? -17.839 1.933 -7.680 1.00 0.00 ? 33 LYS B CG 22 ATOM 31060 C CD . LYS B 1 33 ? -18.621 0.664 -7.381 1.00 0.00 ? 33 LYS B CD 22 ATOM 31061 C CE . LYS B 1 33 ? -17.915 -0.567 -7.928 1.00 0.00 ? 33 LYS B CE 22 ATOM 31062 N NZ . LYS B 1 33 ? -17.952 -0.613 -9.416 1.00 0.00 ? 33 LYS B NZ 22 ATOM 31063 H H . LYS B 1 33 ? -15.044 2.623 -4.824 1.00 0.00 ? 33 LYS B H 22 ATOM 31064 H HA . LYS B 1 33 ? -17.105 4.117 -6.124 1.00 0.00 ? 33 LYS B HA 22 ATOM 31065 H HB2 . LYS B 1 33 ? -15.802 2.387 -7.297 1.00 0.00 ? 33 LYS B HB2 22 ATOM 31066 H HB3 . LYS B 1 33 ? -16.485 1.158 -6.240 1.00 0.00 ? 33 LYS B HB3 22 ATOM 31067 H HG2 . LYS B 1 33 ? -18.500 2.781 -7.585 1.00 0.00 ? 33 LYS B HG2 22 ATOM 31068 H HG3 . LYS B 1 33 ? -17.458 1.881 -8.690 1.00 0.00 ? 33 LYS B HG3 22 ATOM 31069 H HD2 . LYS B 1 33 ? -18.725 0.560 -6.312 1.00 0.00 ? 33 LYS B HD2 22 ATOM 31070 H HD3 . LYS B 1 33 ? -19.598 0.739 -7.835 1.00 0.00 ? 33 LYS B HD3 22 ATOM 31071 H HE2 . LYS B 1 33 ? -16.885 -0.550 -7.604 1.00 0.00 ? 33 LYS B HE2 22 ATOM 31072 H HE3 . LYS B 1 33 ? -18.400 -1.448 -7.537 1.00 0.00 ? 33 LYS B HE3 22 ATOM 31073 H HZ1 . LYS B 1 33 ? -18.231 0.314 -9.796 1.00 0.00 ? 33 LYS B HZ1 22 ATOM 31074 H HZ2 . LYS B 1 33 ? -17.014 -0.861 -9.790 1.00 0.00 ? 33 LYS B HZ2 22 ATOM 31075 H HZ3 . LYS B 1 33 ? -18.640 -1.327 -9.734 1.00 0.00 ? 33 LYS B HZ3 22 ATOM 31076 N N . LEU B 1 34 ? -17.886 2.026 -3.744 1.00 0.00 ? 34 LEU B N 22 ATOM 31077 C CA . LEU B 1 34 ? -18.954 1.594 -2.850 1.00 0.00 ? 34 LEU B CA 22 ATOM 31078 C C . LEU B 1 34 ? -19.503 2.777 -2.058 1.00 0.00 ? 34 LEU B C 22 ATOM 31079 O O . LEU B 1 34 ? -20.714 2.909 -1.881 1.00 0.00 ? 34 LEU B O 22 ATOM 31080 C CB . LEU B 1 34 ? -18.440 0.518 -1.891 1.00 0.00 ? 34 LEU B CB 22 ATOM 31081 C CG . LEU B 1 34 ? -19.483 -0.506 -1.434 1.00 0.00 ? 34 LEU B CG 22 ATOM 31082 C CD1 . LEU B 1 34 ? -20.799 0.177 -1.096 1.00 0.00 ? 34 LEU B CD1 22 ATOM 31083 C CD2 . LEU B 1 34 ? -19.691 -1.567 -2.505 1.00 0.00 ? 34 LEU B CD2 22 ATOM 31084 H H . LEU B 1 34 ? -16.965 1.750 -3.555 1.00 0.00 ? 34 LEU B H 22 ATOM 31085 H HA . LEU B 1 34 ? -19.746 1.180 -3.455 1.00 0.00 ? 34 LEU B HA 22 ATOM 31086 H HB2 . LEU B 1 34 ? -17.635 -0.013 -2.380 1.00 0.00 ? 34 LEU B HB2 22 ATOM 31087 H HB3 . LEU B 1 34 ? -18.043 1.008 -1.014 1.00 0.00 ? 34 LEU B HB3 22 ATOM 31088 H HG . LEU B 1 34 ? -19.125 -0.998 -0.542 1.00 0.00 ? 34 LEU B HG 22 ATOM 31089 H HD11 . LEU B 1 34 ? -20.600 1.126 -0.621 1.00 0.00 ? 34 LEU B HD11 22 ATOM 31090 H HD12 . LEU B 1 34 ? -21.364 0.340 -2.002 1.00 0.00 ? 34 LEU B HD12 22 ATOM 31091 H HD13 . LEU B 1 34 ? -21.369 -0.449 -0.425 1.00 0.00 ? 34 LEU B HD13 22 ATOM 31092 H HD21 . LEU B 1 34 ? -18.904 -1.495 -3.241 1.00 0.00 ? 34 LEU B HD21 22 ATOM 31093 H HD22 . LEU B 1 34 ? -19.669 -2.546 -2.050 1.00 0.00 ? 34 LEU B HD22 22 ATOM 31094 H HD23 . LEU B 1 34 ? -20.647 -1.414 -2.983 1.00 0.00 ? 34 LEU B HD23 22 ATOM 31095 N N . LYS B 1 35 ? -18.603 3.634 -1.584 1.00 0.00 ? 35 LYS B N 22 ATOM 31096 C CA . LYS B 1 35 ? -18.998 4.806 -0.812 1.00 0.00 ? 35 LYS B CA 22 ATOM 31097 C C . LYS B 1 35 ? -19.680 5.840 -1.701 1.00 0.00 ? 35 LYS B C 22 ATOM 31098 O O . LYS B 1 35 ? -20.529 6.604 -1.243 1.00 0.00 ? 35 LYS B O 22 ATOM 31099 C CB . LYS B 1 35 ? -17.777 5.427 -0.130 1.00 0.00 ? 35 LYS B CB 22 ATOM 31100 C CG . LYS B 1 35 ? -18.122 6.575 0.804 1.00 0.00 ? 35 LYS B CG 22 ATOM 31101 C CD . LYS B 1 35 ? -17.072 7.672 0.752 1.00 0.00 ? 35 LYS B CD 22 ATOM 31102 C CE . LYS B 1 35 ? -15.822 7.286 1.527 1.00 0.00 ? 35 LYS B CE 22 ATOM 31103 N NZ . LYS B 1 35 ? -15.648 8.116 2.750 1.00 0.00 ? 35 LYS B NZ 22 ATOM 31104 H H . LYS B 1 35 ? -17.651 3.475 -1.760 1.00 0.00 ? 35 LYS B H 22 ATOM 31105 H HA . LYS B 1 35 ? -19.696 4.483 -0.055 1.00 0.00 ? 35 LYS B HA 22 ATOM 31106 H HB2 . LYS B 1 35 ? -17.272 4.664 0.443 1.00 0.00 ? 35 LYS B HB2 22 ATOM 31107 H HB3 . LYS B 1 35 ? -17.106 5.800 -0.890 1.00 0.00 ? 35 LYS B HB3 22 ATOM 31108 H HG2 . LYS B 1 35 ? -19.076 6.990 0.514 1.00 0.00 ? 35 LYS B HG2 22 ATOM 31109 H HG3 . LYS B 1 35 ? -18.184 6.198 1.815 1.00 0.00 ? 35 LYS B HG3 22 ATOM 31110 H HD2 . LYS B 1 35 ? -16.802 7.849 -0.279 1.00 0.00 ? 35 LYS B HD2 22 ATOM 31111 H HD3 . LYS B 1 35 ? -17.484 8.574 1.178 1.00 0.00 ? 35 LYS B HD3 22 ATOM 31112 H HE2 . LYS B 1 35 ? -15.900 6.248 1.815 1.00 0.00 ? 35 LYS B HE2 22 ATOM 31113 H HE3 . LYS B 1 35 ? -14.962 7.417 0.887 1.00 0.00 ? 35 LYS B HE3 22 ATOM 31114 H HZ1 . LYS B 1 35 ? -15.817 9.119 2.529 1.00 0.00 ? 35 LYS B HZ1 22 ATOM 31115 H HZ2 . LYS B 1 35 ? -16.321 7.816 3.484 1.00 0.00 ? 35 LYS B HZ2 22 ATOM 31116 H HZ3 . LYS B 1 35 ? -14.681 8.012 3.117 1.00 0.00 ? 35 LYS B HZ3 22 ATOM 31117 N N . GLN B 1 36 ? -19.302 5.859 -2.976 1.00 0.00 ? 36 GLN B N 22 ATOM 31118 C CA . GLN B 1 36 ? -19.878 6.800 -3.930 1.00 0.00 ? 36 GLN B CA 22 ATOM 31119 C C . GLN B 1 36 ? -21.287 6.375 -4.330 1.00 0.00 ? 36 GLN B C 22 ATOM 31120 O O . GLN B 1 36 ? -22.126 7.210 -4.666 1.00 0.00 ? 36 GLN B O 22 ATOM 31121 C CB . GLN B 1 36 ? -18.991 6.906 -5.172 1.00 0.00 ? 36 GLN B CB 22 ATOM 31122 C CG . GLN B 1 36 ? -18.448 8.304 -5.414 1.00 0.00 ? 36 GLN B CG 22 ATOM 31123 C CD . GLN B 1 36 ? -17.530 8.374 -6.619 1.00 0.00 ? 36 GLN B CD 22 ATOM 31124 O OE1 . GLN B 1 36 ? -17.396 7.406 -7.368 1.00 0.00 ? 36 GLN B OE1 22 ATOM 31125 N NE2 . GLN B 1 36 ? -16.892 9.522 -6.812 1.00 0.00 ? 36 GLN B NE2 22 ATOM 31126 H H . GLN B 1 36 ? -18.620 5.225 -3.281 1.00 0.00 ? 36 GLN B H 22 ATOM 31127 H HA . GLN B 1 36 ? -19.928 7.767 -3.451 1.00 0.00 ? 36 GLN B HA 22 ATOM 31128 H HB2 . GLN B 1 36 ? -18.154 6.232 -5.061 1.00 0.00 ? 36 GLN B HB2 22 ATOM 31129 H HB3 . GLN B 1 36 ? -19.566 6.611 -6.037 1.00 0.00 ? 36 GLN B HB3 22 ATOM 31130 H HG2 . GLN B 1 36 ? -19.278 8.976 -5.575 1.00 0.00 ? 36 GLN B HG2 22 ATOM 31131 H HG3 . GLN B 1 36 ? -17.896 8.619 -4.541 1.00 0.00 ? 36 GLN B HG3 22 ATOM 31132 H HE21 . GLN B 1 36 ? -17.046 10.249 -6.175 1.00 0.00 ? 36 GLN B HE21 22 ATOM 31133 H HE22 . GLN B 1 36 ? -16.292 9.594 -7.584 1.00 0.00 ? 36 GLN B HE22 22 ATOM 31134 N N . SER B 1 37 ? -21.539 5.070 -4.291 1.00 0.00 ? 37 SER B N 22 ATOM 31135 C CA . SER B 1 37 ? -22.847 4.534 -4.650 1.00 0.00 ? 37 SER B CA 22 ATOM 31136 C C . SER B 1 37 ? -23.877 4.843 -3.567 1.00 0.00 ? 37 SER B C 22 ATOM 31137 O O . SER B 1 37 ? -25.067 4.975 -3.851 1.00 0.00 ? 37 SER B O 22 ATOM 31138 C CB . SER B 1 37 ? -22.758 3.023 -4.870 1.00 0.00 ? 37 SER B CB 22 ATOM 31139 O OG . SER B 1 37 ? -22.004 2.718 -6.029 1.00 0.00 ? 37 SER B OG 22 ATOM 31140 H H . SER B 1 37 ? -20.829 4.454 -4.014 1.00 0.00 ? 37 SER B H 22 ATOM 31141 H HA . SER B 1 37 ? -23.157 5.005 -5.570 1.00 0.00 ? 37 SER B HA 22 ATOM 31142 H HB2 . SER B 1 37 ? -22.281 2.564 -4.016 1.00 0.00 ? 37 SER B HB2 22 ATOM 31143 H HB3 . SER B 1 37 ? -23.754 2.619 -4.985 1.00 0.00 ? 37 SER B HB3 22 ATOM 31144 H HG . SER B 1 37 ? -22.200 3.361 -6.717 1.00 0.00 ? 37 SER B HG 22 ATOM 31145 N N . GLU B 1 38 ? -23.409 4.956 -2.328 1.00 0.00 ? 38 GLU B N 22 ATOM 31146 C CA . GLU B 1 38 ? -24.290 5.250 -1.204 1.00 0.00 ? 38 GLU B CA 22 ATOM 31147 C C . GLU B 1 38 ? -24.830 6.674 -1.294 1.00 0.00 ? 38 GLU B C 22 ATOM 31148 O O . GLU B 1 38 ? -25.947 6.953 -0.855 1.00 0.00 ? 38 GLU B O 22 ATOM 31149 C CB . GLU B 1 38 ? -23.545 5.057 0.117 1.00 0.00 ? 38 GLU B CB 22 ATOM 31150 C CG . GLU B 1 38 ? -24.382 5.389 1.342 1.00 0.00 ? 38 GLU B CG 22 ATOM 31151 C CD . GLU B 1 38 ? -23.565 6.013 2.457 1.00 0.00 ? 38 GLU B CD 22 ATOM 31152 O OE1 . GLU B 1 38 ? -22.439 6.478 2.178 1.00 0.00 ? 38 GLU B OE1 22 ATOM 31153 O OE2 . GLU B 1 38 ? -24.049 6.036 3.607 1.00 0.00 ? 38 GLU B OE2 22 ATOM 31154 H H . GLU B 1 38 ? -22.450 4.840 -2.167 1.00 0.00 ? 38 GLU B H 22 ATOM 31155 H HA . GLU B 1 38 ? -25.120 4.560 -1.243 1.00 0.00 ? 38 GLU B HA 22 ATOM 31156 H HB2 . GLU B 1 38 ? -23.228 4.028 0.193 1.00 0.00 ? 38 GLU B HB2 22 ATOM 31157 H HB3 . GLU B 1 38 ? -22.672 5.694 0.122 1.00 0.00 ? 38 GLU B HB3 22 ATOM 31158 H HG2 . GLU B 1 38 ? -25.158 6.082 1.055 1.00 0.00 ? 38 GLU B HG2 22 ATOM 31159 H HG3 . GLU B 1 38 ? -24.832 4.479 1.712 1.00 0.00 ? 38 GLU B HG3 22 ATOM 31160 N N . ASP B 1 39 ? -24.032 7.569 -1.864 1.00 0.00 ? 39 ASP B N 22 ATOM 31161 C CA . ASP B 1 39 ? -24.431 8.964 -2.012 1.00 0.00 ? 39 ASP B CA 22 ATOM 31162 C C . ASP B 1 39 ? -25.476 9.117 -3.112 1.00 0.00 ? 39 ASP B C 22 ATOM 31163 O O . ASP B 1 39 ? -26.479 9.810 -2.937 1.00 0.00 ? 39 ASP B O 22 ATOM 31164 C CB . ASP B 1 39 ? -23.212 9.834 -2.325 1.00 0.00 ? 39 ASP B CB 22 ATOM 31165 C CG . ASP B 1 39 ? -23.358 11.246 -1.792 1.00 0.00 ? 39 ASP B CG 22 ATOM 31166 O OD1 . ASP B 1 39 ? -24.499 11.752 -1.755 1.00 0.00 ? 39 ASP B OD1 22 ATOM 31167 O OD2 . ASP B 1 39 ? -22.330 11.846 -1.413 1.00 0.00 ? 39 ASP B OD2 22 ATOM 31168 H H . ASP B 1 39 ? -23.154 7.286 -2.195 1.00 0.00 ? 39 ASP B H 22 ATOM 31169 H HA . ASP B 1 39 ? -24.862 9.287 -1.076 1.00 0.00 ? 39 ASP B HA 22 ATOM 31170 H HB2 . ASP B 1 39 ? -22.336 9.390 -1.878 1.00 0.00 ? 39 ASP B HB2 22 ATOM 31171 H HB3 . ASP B 1 39 ? -23.080 9.885 -3.397 1.00 0.00 ? 39 ASP B HB3 22 ATOM 31172 N N . ASP B 1 40 ? -25.235 8.467 -4.246 1.00 0.00 ? 40 ASP B N 22 ATOM 31173 C CA . ASP B 1 40 ? -26.156 8.530 -5.375 1.00 0.00 ? 40 ASP B CA 22 ATOM 31174 C C . ASP B 1 40 ? -26.173 7.210 -6.138 1.00 0.00 ? 40 ASP B C 22 ATOM 31175 O O . ASP B 1 40 ? -25.178 6.485 -6.168 1.00 0.00 ? 40 ASP B O 22 ATOM 31176 C CB . ASP B 1 40 ? -25.764 9.672 -6.315 1.00 0.00 ? 40 ASP B CB 22 ATOM 31177 C CG . ASP B 1 40 ? -24.330 9.560 -6.794 1.00 0.00 ? 40 ASP B CG 22 ATOM 31178 O OD1 . ASP B 1 40 ? -24.086 8.820 -7.771 1.00 0.00 ? 40 ASP B OD1 22 ATOM 31179 O OD2 . ASP B 1 40 ? -23.451 10.212 -6.192 1.00 0.00 ? 40 ASP B OD2 22 ATOM 31180 H H . ASP B 1 40 ? -24.418 7.931 -4.325 1.00 0.00 ? 40 ASP B H 22 ATOM 31181 H HA . ASP B 1 40 ? -27.145 8.720 -4.985 1.00 0.00 ? 40 ASP B HA 22 ATOM 31182 H HB2 . ASP B 1 40 ? -26.414 9.658 -7.178 1.00 0.00 ? 40 ASP B HB2 22 ATOM 31183 H HB3 . ASP B 1 40 ? -25.880 10.612 -5.798 1.00 0.00 ? 40 ASP B HB3 22 ATOM 31184 N N . ASP B 1 41 ? -27.311 6.904 -6.753 1.00 0.00 ? 41 ASP B N 22 ATOM 31185 C CA . ASP B 1 41 ? -27.458 5.670 -7.517 1.00 0.00 ? 41 ASP B CA 22 ATOM 31186 C C . ASP B 1 41 ? -28.537 5.817 -8.584 1.00 0.00 ? 41 ASP B C 22 ATOM 31187 O O . ASP B 1 41 ? -29.056 4.779 -9.047 1.00 0.00 ? 41 ASP B O 22 ATOM 31188 C CB . ASP B 1 41 ? -27.801 4.507 -6.585 1.00 0.00 ? 41 ASP B CB 22 ATOM 31189 C CG . ASP B 1 41 ? -29.094 4.734 -5.828 1.00 0.00 ? 41 ASP B CG 22 ATOM 31190 O OD1 . ASP B 1 41 ? -30.174 4.569 -6.434 1.00 0.00 ? 41 ASP B OD1 22 ATOM 31191 O OD2 . ASP B 1 41 ? -29.028 5.079 -4.630 1.00 0.00 ? 41 ASP B OD2 22 ATOM 31192 O OXT . ASP B 1 41 ? -28.855 6.968 -8.950 1.00 0.00 ? 41 ASP B OXT 22 ATOM 31193 H H . ASP B 1 41 ? -28.069 7.522 -6.693 1.00 0.00 ? 41 ASP B H 22 ATOM 31194 H HA . ASP B 1 41 ? -26.515 5.466 -8.002 1.00 0.00 ? 41 ASP B HA 22 ATOM 31195 H HB2 . ASP B 1 41 ? -27.901 3.604 -7.169 1.00 0.00 ? 41 ASP B HB2 22 ATOM 31196 H HB3 . ASP B 1 41 ? -27.003 4.380 -5.869 1.00 0.00 ? 41 ASP B HB3 22 ATOM 31197 N N . ALA A 1 1 ? -32.091 9.426 2.068 1.00 0.00 ? 1 ALA A N 23 ATOM 31198 C CA . ALA A 1 1 ? -31.482 8.101 1.782 1.00 0.00 ? 1 ALA A CA 23 ATOM 31199 C C . ALA A 1 1 ? -30.462 7.725 2.850 1.00 0.00 ? 1 ALA A C 23 ATOM 31200 O O . ALA A 1 1 ? -29.508 8.463 3.100 1.00 0.00 ? 1 ALA A O 23 ATOM 31201 C CB . ALA A 1 1 ? -30.829 8.106 0.408 1.00 0.00 ? 1 ALA A CB 23 ATOM 31202 H H1 . ALA A 1 1 ? -32.058 9.573 3.097 1.00 0.00 ? 1 ALA A H1 23 ATOM 31203 H H2 . ALA A 1 1 ? -31.533 10.146 1.567 1.00 0.00 ? 1 ALA A H2 23 ATOM 31204 H H3 . ALA A 1 1 ? -33.072 9.406 1.722 1.00 0.00 ? 1 ALA A H3 23 ATOM 31205 H HA . ALA A 1 1 ? -32.268 7.360 1.776 1.00 0.00 ? 1 ALA A HA 23 ATOM 31206 H HB1 . ALA A 1 1 ? -31.245 7.312 -0.192 1.00 0.00 ? 1 ALA A HB1 23 ATOM 31207 H HB2 . ALA A 1 1 ? -31.011 9.056 -0.074 1.00 0.00 ? 1 ALA A HB2 23 ATOM 31208 H HB3 . ALA A 1 1 ? -29.765 7.956 0.515 1.00 0.00 ? 1 ALA A HB3 23 ATOM 31209 N N . LEU A 1 2 ? -30.668 6.573 3.480 1.00 0.00 ? 2 LEU A N 23 ATOM 31210 C CA . LEU A 1 2 ? -29.764 6.101 4.523 1.00 0.00 ? 2 LEU A CA 23 ATOM 31211 C C . LEU A 1 2 ? -29.788 4.579 4.617 1.00 0.00 ? 2 LEU A C 23 ATOM 31212 O O . LEU A 1 2 ? -30.022 4.015 5.686 1.00 0.00 ? 2 LEU A O 23 ATOM 31213 C CB . LEU A 1 2 ? -30.147 6.711 5.874 1.00 0.00 ? 2 LEU A CB 23 ATOM 31214 C CG . LEU A 1 2 ? -31.635 7.020 6.047 1.00 0.00 ? 2 LEU A CG 23 ATOM 31215 C CD1 . LEU A 1 2 ? -32.020 6.982 7.517 1.00 0.00 ? 2 LEU A CD1 23 ATOM 31216 C CD2 . LEU A 1 2 ? -31.971 8.374 5.440 1.00 0.00 ? 2 LEU A CD2 23 ATOM 31217 H H . LEU A 1 2 ? -31.445 6.028 3.238 1.00 0.00 ? 2 LEU A H 23 ATOM 31218 H HA . LEU A 1 2 ? -28.766 6.418 4.266 1.00 0.00 ? 2 LEU A HA 23 ATOM 31219 H HB2 . LEU A 1 2 ? -29.849 6.023 6.652 1.00 0.00 ? 2 LEU A HB2 23 ATOM 31220 H HB3 . LEU A 1 2 ? -29.594 7.630 5.999 1.00 0.00 ? 2 LEU A HB3 23 ATOM 31221 H HG . LEU A 1 2 ? -32.214 6.268 5.532 1.00 0.00 ? 2 LEU A HG 23 ATOM 31222 H HD11 . LEU A 1 2 ? -31.146 7.171 8.123 1.00 0.00 ? 2 LEU A HD11 23 ATOM 31223 H HD12 . LEU A 1 2 ? -32.764 7.740 7.714 1.00 0.00 ? 2 LEU A HD12 23 ATOM 31224 H HD13 . LEU A 1 2 ? -32.423 6.010 7.760 1.00 0.00 ? 2 LEU A HD13 23 ATOM 31225 H HD21 . LEU A 1 2 ? -31.081 8.804 5.003 1.00 0.00 ? 2 LEU A HD21 23 ATOM 31226 H HD22 . LEU A 1 2 ? -32.723 8.249 4.675 1.00 0.00 ? 2 LEU A HD22 23 ATOM 31227 H HD23 . LEU A 1 2 ? -32.347 9.031 6.210 1.00 0.00 ? 2 LEU A HD23 23 ATOM 31228 N N . LYS A 1 3 ? -29.542 3.917 3.490 1.00 0.00 ? 3 LYS A N 23 ATOM 31229 C CA . LYS A 1 3 ? -29.533 2.459 3.446 1.00 0.00 ? 3 LYS A CA 23 ATOM 31230 C C . LYS A 1 3 ? -28.551 1.892 4.466 1.00 0.00 ? 3 LYS A C 23 ATOM 31231 O O . LYS A 1 3 ? -28.851 0.916 5.155 1.00 0.00 ? 3 LYS A O 23 ATOM 31232 C CB . LYS A 1 3 ? -29.166 1.972 2.042 1.00 0.00 ? 3 LYS A CB 23 ATOM 31233 C CG . LYS A 1 3 ? -29.855 2.745 0.928 1.00 0.00 ? 3 LYS A CG 23 ATOM 31234 C CD . LYS A 1 3 ? -31.344 2.899 1.193 1.00 0.00 ? 3 LYS A CD 23 ATOM 31235 C CE . LYS A 1 3 ? -32.148 2.835 -0.095 1.00 0.00 ? 3 LYS A CE 23 ATOM 31236 N NZ . LYS A 1 3 ? -31.551 3.681 -1.165 1.00 0.00 ? 3 LYS A NZ 23 ATOM 31237 H H . LYS A 1 3 ? -29.361 4.422 2.670 1.00 0.00 ? 3 LYS A H 23 ATOM 31238 H HA . LYS A 1 3 ? -30.527 2.114 3.689 1.00 0.00 ? 3 LYS A HA 23 ATOM 31239 H HB2 . LYS A 1 3 ? -28.099 2.067 1.909 1.00 0.00 ? 3 LYS A HB2 23 ATOM 31240 H HB3 . LYS A 1 3 ? -29.440 0.931 1.953 1.00 0.00 ? 3 LYS A HB3 23 ATOM 31241 H HG2 . LYS A 1 3 ? -29.410 3.725 0.854 1.00 0.00 ? 3 LYS A HG2 23 ATOM 31242 H HG3 . LYS A 1 3 ? -29.718 2.212 -0.002 1.00 0.00 ? 3 LYS A HG3 23 ATOM 31243 H HD2 . LYS A 1 3 ? -31.668 2.104 1.848 1.00 0.00 ? 3 LYS A HD2 23 ATOM 31244 H HD3 . LYS A 1 3 ? -31.517 3.853 1.669 1.00 0.00 ? 3 LYS A HD3 23 ATOM 31245 H HE2 . LYS A 1 3 ? -32.180 1.810 -0.435 1.00 0.00 ? 3 LYS A HE2 23 ATOM 31246 H HE3 . LYS A 1 3 ? -33.153 3.177 0.105 1.00 0.00 ? 3 LYS A HE3 23 ATOM 31247 H HZ1 . LYS A 1 3 ? -31.082 4.509 -0.746 1.00 0.00 ? 3 LYS A HZ1 23 ATOM 31248 H HZ2 . LYS A 1 3 ? -30.850 3.134 -1.704 1.00 0.00 ? 3 LYS A HZ2 23 ATOM 31249 H HZ3 . LYS A 1 3 ? -32.294 4.011 -1.816 1.00 0.00 ? 3 LYS A HZ3 23 ATOM 31250 N N . LYS A 1 4 ? -27.380 2.512 4.558 1.00 0.00 ? 4 LYS A N 23 ATOM 31251 C CA . LYS A 1 4 ? -26.351 2.073 5.495 1.00 0.00 ? 4 LYS A CA 23 ATOM 31252 C C . LYS A 1 4 ? -25.742 0.741 5.064 1.00 0.00 ? 4 LYS A C 23 ATOM 31253 O O . LYS A 1 4 ? -25.147 0.031 5.875 1.00 0.00 ? 4 LYS A O 23 ATOM 31254 C CB . LYS A 1 4 ? -26.936 1.946 6.903 1.00 0.00 ? 4 LYS A CB 23 ATOM 31255 C CG . LYS A 1 4 ? -27.743 3.159 7.337 1.00 0.00 ? 4 LYS A CG 23 ATOM 31256 C CD . LYS A 1 4 ? -27.454 3.533 8.782 1.00 0.00 ? 4 LYS A CD 23 ATOM 31257 C CE . LYS A 1 4 ? -26.837 4.918 8.886 1.00 0.00 ? 4 LYS A CE 23 ATOM 31258 N NZ . LYS A 1 4 ? -26.852 5.429 10.284 1.00 0.00 ? 4 LYS A NZ 23 ATOM 31259 H H . LYS A 1 4 ? -27.202 3.285 3.983 1.00 0.00 ? 4 LYS A H 23 ATOM 31260 H HA . LYS A 1 4 ? -25.574 2.821 5.506 1.00 0.00 ? 4 LYS A HA 23 ATOM 31261 H HB2 . LYS A 1 4 ? -27.581 1.081 6.936 1.00 0.00 ? 4 LYS A HB2 23 ATOM 31262 H HB3 . LYS A 1 4 ? -26.128 1.808 7.605 1.00 0.00 ? 4 LYS A HB3 23 ATOM 31263 H HG2 . LYS A 1 4 ? -27.489 3.994 6.702 1.00 0.00 ? 4 LYS A HG2 23 ATOM 31264 H HG3 . LYS A 1 4 ? -28.795 2.934 7.236 1.00 0.00 ? 4 LYS A HG3 23 ATOM 31265 H HD2 . LYS A 1 4 ? -28.378 3.518 9.340 1.00 0.00 ? 4 LYS A HD2 23 ATOM 31266 H HD3 . LYS A 1 4 ? -26.767 2.810 9.200 1.00 0.00 ? 4 LYS A HD3 23 ATOM 31267 H HE2 . LYS A 1 4 ? -25.815 4.870 8.541 1.00 0.00 ? 4 LYS A HE2 23 ATOM 31268 H HE3 . LYS A 1 4 ? -27.397 5.595 8.258 1.00 0.00 ? 4 LYS A HE3 23 ATOM 31269 H HZ1 . LYS A 1 4 ? -27.216 4.697 10.928 1.00 0.00 ? 4 LYS A HZ1 23 ATOM 31270 H HZ2 . LYS A 1 4 ? -25.890 5.689 10.581 1.00 0.00 ? 4 LYS A HZ2 23 ATOM 31271 H HZ3 . LYS A 1 4 ? -27.462 6.268 10.352 1.00 0.00 ? 4 LYS A HZ3 23 ATOM 31272 N N . HIS A 1 5 ? -25.888 0.407 3.785 1.00 0.00 ? 5 HIS A N 23 ATOM 31273 C CA . HIS A 1 5 ? -25.343 -0.838 3.256 1.00 0.00 ? 5 HIS A CA 23 ATOM 31274 C C . HIS A 1 5 ? -23.950 -0.611 2.678 1.00 0.00 ? 5 HIS A C 23 ATOM 31275 O O . HIS A 1 5 ? -23.084 -1.486 2.747 1.00 0.00 ? 5 HIS A O 23 ATOM 31276 C CB . HIS A 1 5 ? -26.278 -1.420 2.189 1.00 0.00 ? 5 HIS A CB 23 ATOM 31277 C CG . HIS A 1 5 ? -26.227 -0.701 0.873 1.00 0.00 ? 5 HIS A CG 23 ATOM 31278 N ND1 . HIS A 1 5 ? -26.114 -1.355 -0.336 1.00 0.00 ? 5 HIS A ND1 23 ATOM 31279 C CD2 . HIS A 1 5 ? -26.275 0.622 0.580 1.00 0.00 ? 5 HIS A CD2 23 ATOM 31280 C CE1 . HIS A 1 5 ? -26.095 -0.467 -1.315 1.00 0.00 ? 5 HIS A CE1 23 ATOM 31281 N NE2 . HIS A 1 5 ? -26.191 0.737 -0.785 1.00 0.00 ? 5 HIS A NE2 23 ATOM 31282 H H . HIS A 1 5 ? -26.368 1.012 3.183 1.00 0.00 ? 5 HIS A H 23 ATOM 31283 H HA . HIS A 1 5 ? -25.268 -1.538 4.075 1.00 0.00 ? 5 HIS A HA 23 ATOM 31284 H HB2 . HIS A 1 5 ? -26.010 -2.450 2.011 1.00 0.00 ? 5 HIS A HB2 23 ATOM 31285 H HB3 . HIS A 1 5 ? -27.294 -1.377 2.551 1.00 0.00 ? 5 HIS A HB3 23 ATOM 31286 H HD1 . HIS A 1 5 ? -26.057 -2.326 -0.459 1.00 0.00 ? 5 HIS A HD1 23 ATOM 31287 H HD2 . HIS A 1 5 ? -26.363 1.433 1.288 1.00 0.00 ? 5 HIS A HD2 23 ATOM 31288 H HE1 . HIS A 1 5 ? -26.014 -0.690 -2.369 1.00 0.00 ? 5 HIS A HE1 23 ATOM 31289 H HE2 . HIS A 1 5 ? -26.200 1.578 -1.288 1.00 0.00 ? 5 HIS A HE2 23 ATOM 31290 N N . HIS A 1 6 ? -23.740 0.573 2.112 1.00 0.00 ? 6 HIS A N 23 ATOM 31291 C CA . HIS A 1 6 ? -22.453 0.919 1.526 1.00 0.00 ? 6 HIS A CA 23 ATOM 31292 C C . HIS A 1 6 ? -21.373 0.956 2.597 1.00 0.00 ? 6 HIS A C 23 ATOM 31293 O O . HIS A 1 6 ? -20.265 0.480 2.379 1.00 0.00 ? 6 HIS A O 23 ATOM 31294 C CB . HIS A 1 6 ? -22.534 2.269 0.810 1.00 0.00 ? 6 HIS A CB 23 ATOM 31295 C CG . HIS A 1 6 ? -23.190 2.196 -0.534 1.00 0.00 ? 6 HIS A CG 23 ATOM 31296 N ND1 . HIS A 1 6 ? -23.366 1.015 -1.225 1.00 0.00 ? 6 HIS A ND1 23 ATOM 31297 C CD2 . HIS A 1 6 ? -23.717 3.169 -1.316 1.00 0.00 ? 6 HIS A CD2 23 ATOM 31298 C CE1 . HIS A 1 6 ? -23.970 1.266 -2.373 1.00 0.00 ? 6 HIS A CE1 23 ATOM 31299 N NE2 . HIS A 1 6 ? -24.193 2.564 -2.451 1.00 0.00 ? 6 HIS A NE2 23 ATOM 31300 H H . HIS A 1 6 ? -24.467 1.230 2.091 1.00 0.00 ? 6 HIS A H 23 ATOM 31301 H HA . HIS A 1 6 ? -22.199 0.152 0.810 1.00 0.00 ? 6 HIS A HA 23 ATOM 31302 H HB2 . HIS A 1 6 ? -23.098 2.958 1.419 1.00 0.00 ? 6 HIS A HB2 23 ATOM 31303 H HB3 . HIS A 1 6 ? -21.534 2.654 0.672 1.00 0.00 ? 6 HIS A HB3 23 ATOM 31304 H HD1 . HIS A 1 6 ? -23.089 0.126 -0.920 1.00 0.00 ? 6 HIS A HD1 23 ATOM 31305 H HD2 . HIS A 1 6 ? -23.755 4.225 -1.087 1.00 0.00 ? 6 HIS A HD2 23 ATOM 31306 H HE1 . HIS A 1 6 ? -24.236 0.532 -3.120 1.00 0.00 ? 6 HIS A HE1 23 ATOM 31307 H HE2 . HIS A 1 6 ? -24.630 3.020 -3.202 1.00 0.00 ? 6 HIS A HE2 23 ATOM 31308 N N . GLU A 1 7 ? -21.706 1.516 3.755 1.00 0.00 ? 7 GLU A N 23 ATOM 31309 C CA . GLU A 1 7 ? -20.762 1.596 4.860 1.00 0.00 ? 7 GLU A CA 23 ATOM 31310 C C . GLU A 1 7 ? -20.351 0.196 5.307 1.00 0.00 ? 7 GLU A C 23 ATOM 31311 O O . GLU A 1 7 ? -19.264 0.000 5.849 1.00 0.00 ? 7 GLU A O 23 ATOM 31312 C CB . GLU A 1 7 ? -21.376 2.361 6.034 1.00 0.00 ? 7 GLU A CB 23 ATOM 31313 C CG . GLU A 1 7 ? -22.616 1.699 6.610 1.00 0.00 ? 7 GLU A CG 23 ATOM 31314 C CD . GLU A 1 7 ? -23.215 2.485 7.762 1.00 0.00 ? 7 GLU A CD 23 ATOM 31315 O OE1 . GLU A 1 7 ? -23.895 3.497 7.498 1.00 0.00 ? 7 GLU A OE1 23 ATOM 31316 O OE2 . GLU A 1 7 ? -23.002 2.086 8.926 1.00 0.00 ? 7 GLU A OE2 23 ATOM 31317 H H . GLU A 1 7 ? -22.607 1.875 3.872 1.00 0.00 ? 7 GLU A H 23 ATOM 31318 H HA . GLU A 1 7 ? -19.885 2.124 4.513 1.00 0.00 ? 7 GLU A HA 23 ATOM 31319 H HB2 . GLU A 1 7 ? -20.640 2.443 6.820 1.00 0.00 ? 7 GLU A HB2 23 ATOM 31320 H HB3 . GLU A 1 7 ? -21.645 3.353 5.700 1.00 0.00 ? 7 GLU A HB3 23 ATOM 31321 H HG2 . GLU A 1 7 ? -23.358 1.613 5.830 1.00 0.00 ? 7 GLU A HG2 23 ATOM 31322 H HG3 . GLU A 1 7 ? -22.351 0.714 6.965 1.00 0.00 ? 7 GLU A HG3 23 ATOM 31323 N N . ASN A 1 8 ? -21.228 -0.777 5.065 1.00 0.00 ? 8 ASN A N 23 ATOM 31324 C CA . ASN A 1 8 ? -20.956 -2.162 5.430 1.00 0.00 ? 8 ASN A CA 23 ATOM 31325 C C . ASN A 1 8 ? -19.843 -2.730 4.558 1.00 0.00 ? 8 ASN A C 23 ATOM 31326 O O . ASN A 1 8 ? -18.775 -3.095 5.055 1.00 0.00 ? 8 ASN A O 23 ATOM 31327 C CB . ASN A 1 8 ? -22.221 -3.010 5.285 1.00 0.00 ? 8 ASN A CB 23 ATOM 31328 C CG . ASN A 1 8 ? -22.594 -3.719 6.571 1.00 0.00 ? 8 ASN A CG 23 ATOM 31329 O OD1 . ASN A 1 8 ? -21.781 -3.834 7.488 1.00 0.00 ? 8 ASN A OD1 23 ATOM 31330 N ND2 . ASN A 1 8 ? -23.829 -4.202 6.645 1.00 0.00 ? 8 ASN A ND2 23 ATOM 31331 H H . ASN A 1 8 ? -22.075 -0.558 4.623 1.00 0.00 ? 8 ASN A H 23 ATOM 31332 H HA . ASN A 1 8 ? -20.636 -2.178 6.461 1.00 0.00 ? 8 ASN A HA 23 ATOM 31333 H HB2 . ASN A 1 8 ? -23.044 -2.372 4.997 1.00 0.00 ? 8 ASN A HB2 23 ATOM 31334 H HB3 . ASN A 1 8 ? -22.063 -3.753 4.518 1.00 0.00 ? 8 ASN A HB3 23 ATOM 31335 H HD21 . ASN A 1 8 ? -24.423 -4.074 5.875 1.00 0.00 ? 8 ASN A HD21 23 ATOM 31336 H HD22 . ASN A 1 8 ? -24.097 -4.665 7.466 1.00 0.00 ? 8 ASN A HD22 23 ATOM 31337 N N . GLU A 1 9 ? -20.089 -2.783 3.251 1.00 0.00 ? 9 GLU A N 23 ATOM 31338 C CA . GLU A 1 9 ? -19.090 -3.286 2.315 1.00 0.00 ? 9 GLU A CA 23 ATOM 31339 C C . GLU A 1 9 ? -17.887 -2.342 2.254 1.00 0.00 ? 9 GLU A C 23 ATOM 31340 O O . GLU A 1 9 ? -16.832 -2.695 1.725 1.00 0.00 ? 9 GLU A O 23 ATOM 31341 C CB . GLU A 1 9 ? -19.700 -3.446 0.921 1.00 0.00 ? 9 GLU A CB 23 ATOM 31342 C CG . GLU A 1 9 ? -18.696 -3.878 -0.136 1.00 0.00 ? 9 GLU A CG 23 ATOM 31343 C CD . GLU A 1 9 ? -19.326 -4.719 -1.228 1.00 0.00 ? 9 GLU A CD 23 ATOM 31344 O OE1 . GLU A 1 9 ? -20.279 -4.235 -1.875 1.00 0.00 ? 9 GLU A OE1 23 ATOM 31345 O OE2 . GLU A 1 9 ? -18.867 -5.862 -1.436 1.00 0.00 ? 9 GLU A OE2 23 ATOM 31346 H H . GLU A 1 9 ? -20.953 -2.459 2.908 1.00 0.00 ? 9 GLU A H 23 ATOM 31347 H HA . GLU A 1 9 ? -18.758 -4.251 2.669 1.00 0.00 ? 9 GLU A HA 23 ATOM 31348 H HB2 . GLU A 1 9 ? -20.483 -4.188 0.967 1.00 0.00 ? 9 GLU A HB2 23 ATOM 31349 H HB3 . GLU A 1 9 ? -20.127 -2.502 0.617 1.00 0.00 ? 9 GLU A HB3 23 ATOM 31350 H HG2 . GLU A 1 9 ? -18.265 -2.996 -0.585 1.00 0.00 ? 9 GLU A HG2 23 ATOM 31351 H HG3 . GLU A 1 9 ? -17.917 -4.455 0.341 1.00 0.00 ? 9 GLU A HG3 23 ATOM 31352 N N . ILE A 1 10 ? -18.055 -1.143 2.809 1.00 0.00 ? 10 ILE A N 23 ATOM 31353 C CA . ILE A 1 10 ? -17.002 -0.142 2.834 1.00 0.00 ? 10 ILE A CA 23 ATOM 31354 C C . ILE A 1 10 ? -16.121 -0.338 4.066 1.00 0.00 ? 10 ILE A C 23 ATOM 31355 O O . ILE A 1 10 ? -14.944 0.023 4.066 1.00 0.00 ? 10 ILE A O 23 ATOM 31356 C CB . ILE A 1 10 ? -17.622 1.284 2.806 1.00 0.00 ? 10 ILE A CB 23 ATOM 31357 C CG1 . ILE A 1 10 ? -18.074 1.628 1.386 1.00 0.00 ? 10 ILE A CG1 23 ATOM 31358 C CG2 . ILE A 1 10 ? -16.661 2.352 3.318 1.00 0.00 ? 10 ILE A CG2 23 ATOM 31359 C CD1 . ILE A 1 10 ? -18.977 2.840 1.317 1.00 0.00 ? 10 ILE A CD1 23 ATOM 31360 H H . ILE A 1 10 ? -18.910 -0.926 3.222 1.00 0.00 ? 10 ILE A H 23 ATOM 31361 H HA . ILE A 1 10 ? -16.397 -0.271 1.947 1.00 0.00 ? 10 ILE A HA 23 ATOM 31362 H HB . ILE A 1 10 ? -18.486 1.282 3.451 1.00 0.00 ? 10 ILE A HB 23 ATOM 31363 H HG12 . ILE A 1 10 ? -17.206 1.827 0.776 1.00 0.00 ? 10 ILE A HG12 23 ATOM 31364 H HG13 . ILE A 1 10 ? -18.613 0.788 0.973 1.00 0.00 ? 10 ILE A HG13 23 ATOM 31365 H HG21 . ILE A 1 10 ? -16.300 2.073 4.296 1.00 0.00 ? 10 ILE A HG21 23 ATOM 31366 H HG22 . ILE A 1 10 ? -15.828 2.446 2.639 1.00 0.00 ? 10 ILE A HG22 23 ATOM 31367 H HG23 . ILE A 1 10 ? -17.182 3.296 3.385 1.00 0.00 ? 10 ILE A HG23 23 ATOM 31368 H HD11 . ILE A 1 10 ? -19.792 2.722 2.017 1.00 0.00 ? 10 ILE A HD11 23 ATOM 31369 H HD12 . ILE A 1 10 ? -18.412 3.725 1.569 1.00 0.00 ? 10 ILE A HD12 23 ATOM 31370 H HD13 . ILE A 1 10 ? -19.373 2.938 0.317 1.00 0.00 ? 10 ILE A HD13 23 ATOM 31371 N N . SER A 1 11 ? -16.697 -0.929 5.109 1.00 0.00 ? 11 SER A N 23 ATOM 31372 C CA . SER A 1 11 ? -15.960 -1.192 6.334 1.00 0.00 ? 11 SER A CA 23 ATOM 31373 C C . SER A 1 11 ? -15.029 -2.379 6.131 1.00 0.00 ? 11 SER A C 23 ATOM 31374 O O . SER A 1 11 ? -13.881 -2.372 6.580 1.00 0.00 ? 11 SER A O 23 ATOM 31375 C CB . SER A 1 11 ? -16.923 -1.469 7.491 1.00 0.00 ? 11 SER A CB 23 ATOM 31376 O OG . SER A 1 11 ? -16.345 -1.112 8.734 1.00 0.00 ? 11 SER A OG 23 ATOM 31377 H H . SER A 1 11 ? -17.634 -1.207 5.046 1.00 0.00 ? 11 SER A H 23 ATOM 31378 H HA . SER A 1 11 ? -15.369 -0.318 6.565 1.00 0.00 ? 11 SER A HA 23 ATOM 31379 H HB2 . SER A 1 11 ? -17.826 -0.895 7.350 1.00 0.00 ? 11 SER A HB2 23 ATOM 31380 H HB3 . SER A 1 11 ? -17.166 -2.522 7.509 1.00 0.00 ? 11 SER A HB3 23 ATOM 31381 H HG . SER A 1 11 ? -16.483 -0.176 8.894 1.00 0.00 ? 11 SER A HG 23 ATOM 31382 N N . HIS A 1 12 ? -15.528 -3.393 5.429 1.00 0.00 ? 12 HIS A N 23 ATOM 31383 C CA . HIS A 1 12 ? -14.739 -4.579 5.146 1.00 0.00 ? 12 HIS A CA 23 ATOM 31384 C C . HIS A 1 12 ? -13.627 -4.230 4.152 1.00 0.00 ? 12 HIS A C 23 ATOM 31385 O O . HIS A 1 12 ? -12.453 -4.520 4.394 1.00 0.00 ? 12 HIS A O 23 ATOM 31386 C CB . HIS A 1 12 ? -15.666 -5.709 4.642 1.00 0.00 ? 12 HIS A CB 23 ATOM 31387 C CG . HIS A 1 12 ? -15.161 -6.494 3.467 1.00 0.00 ? 12 HIS A CG 23 ATOM 31388 N ND1 . HIS A 1 12 ? -14.361 -7.611 3.589 1.00 0.00 ? 12 HIS A ND1 23 ATOM 31389 C CD2 . HIS A 1 12 ? -15.353 -6.312 2.144 1.00 0.00 ? 12 HIS A CD2 23 ATOM 31390 C CE1 . HIS A 1 12 ? -14.084 -8.083 2.385 1.00 0.00 ? 12 HIS A CE1 23 ATOM 31391 N NE2 . HIS A 1 12 ? -14.674 -7.312 1.492 1.00 0.00 ? 12 HIS A NE2 23 ATOM 31392 H H . HIS A 1 12 ? -16.445 -3.335 5.082 1.00 0.00 ? 12 HIS A H 23 ATOM 31393 H HA . HIS A 1 12 ? -14.281 -4.892 6.074 1.00 0.00 ? 12 HIS A HA 23 ATOM 31394 H HB2 . HIS A 1 12 ? -15.828 -6.408 5.448 1.00 0.00 ? 12 HIS A HB2 23 ATOM 31395 H HB3 . HIS A 1 12 ? -16.617 -5.276 4.364 1.00 0.00 ? 12 HIS A HB3 23 ATOM 31396 H HD1 . HIS A 1 12 ? -14.044 -8.001 4.430 1.00 0.00 ? 12 HIS A HD1 23 ATOM 31397 H HD2 . HIS A 1 12 ? -15.931 -5.520 1.686 1.00 0.00 ? 12 HIS A HD2 23 ATOM 31398 H HE1 . HIS A 1 12 ? -13.478 -8.951 2.171 1.00 0.00 ? 12 HIS A HE1 23 ATOM 31399 H HE2 . HIS A 1 12 ? -14.634 -7.435 0.521 1.00 0.00 ? 12 HIS A HE2 23 ATOM 31400 N N . HIS A 1 13 ? -13.993 -3.580 3.048 1.00 0.00 ? 13 HIS A N 23 ATOM 31401 C CA . HIS A 1 13 ? -13.000 -3.181 2.063 1.00 0.00 ? 13 HIS A CA 23 ATOM 31402 C C . HIS A 1 13 ? -12.035 -2.184 2.687 1.00 0.00 ? 13 HIS A C 23 ATOM 31403 O O . HIS A 1 13 ? -10.877 -2.093 2.286 1.00 0.00 ? 13 HIS A O 23 ATOM 31404 C CB . HIS A 1 13 ? -13.655 -2.560 0.831 1.00 0.00 ? 13 HIS A CB 23 ATOM 31405 C CG . HIS A 1 13 ? -14.564 -3.483 0.089 1.00 0.00 ? 13 HIS A CG 23 ATOM 31406 N ND1 . HIS A 1 13 ? -14.369 -4.845 0.015 1.00 0.00 ? 13 HIS A ND1 23 ATOM 31407 C CD2 . HIS A 1 13 ? -15.679 -3.224 -0.628 1.00 0.00 ? 13 HIS A CD2 23 ATOM 31408 C CE1 . HIS A 1 13 ? -15.327 -5.386 -0.717 1.00 0.00 ? 13 HIS A CE1 23 ATOM 31409 N NE2 . HIS A 1 13 ? -16.136 -4.422 -1.119 1.00 0.00 ? 13 HIS A NE2 23 ATOM 31410 H H . HIS A 1 13 ? -14.937 -3.346 2.906 1.00 0.00 ? 13 HIS A H 23 ATOM 31411 H HA . HIS A 1 13 ? -12.450 -4.063 1.768 1.00 0.00 ? 13 HIS A HA 23 ATOM 31412 H HB2 . HIS A 1 13 ? -14.231 -1.700 1.132 1.00 0.00 ? 13 HIS A HB2 23 ATOM 31413 H HB3 . HIS A 1 13 ? -12.879 -2.247 0.150 1.00 0.00 ? 13 HIS A HB3 23 ATOM 31414 H HD1 . HIS A 1 13 ? -13.637 -5.343 0.437 1.00 0.00 ? 13 HIS A HD1 23 ATOM 31415 H HD2 . HIS A 1 13 ? -16.122 -2.251 -0.787 1.00 0.00 ? 13 HIS A HD2 23 ATOM 31416 H HE1 . HIS A 1 13 ? -15.433 -6.436 -0.946 1.00 0.00 ? 13 HIS A HE1 23 ATOM 31417 H HE2 . HIS A 1 13 ? -16.932 -4.545 -1.676 1.00 0.00 ? 13 HIS A HE2 23 ATOM 31418 N N . ALA A 1 14 ? -12.521 -1.442 3.683 1.00 0.00 ? 14 ALA A N 23 ATOM 31419 C CA . ALA A 1 14 ? -11.699 -0.462 4.378 1.00 0.00 ? 14 ALA A CA 23 ATOM 31420 C C . ALA A 1 14 ? -10.588 -1.165 5.142 1.00 0.00 ? 14 ALA A C 23 ATOM 31421 O O . ALA A 1 14 ? -9.470 -0.663 5.248 1.00 0.00 ? 14 ALA A O 23 ATOM 31422 C CB . ALA A 1 14 ? -12.551 0.376 5.320 1.00 0.00 ? 14 ALA A CB 23 ATOM 31423 H H . ALA A 1 14 ? -13.451 -1.568 3.962 1.00 0.00 ? 14 ALA A H 23 ATOM 31424 H HA . ALA A 1 14 ? -11.259 0.194 3.639 1.00 0.00 ? 14 ALA A HA 23 ATOM 31425 H HB1 . ALA A 1 14 ? -13.378 -0.217 5.680 1.00 0.00 ? 14 ALA A HB1 23 ATOM 31426 H HB2 . ALA A 1 14 ? -11.949 0.701 6.155 1.00 0.00 ? 14 ALA A HB2 23 ATOM 31427 H HB3 . ALA A 1 14 ? -12.930 1.238 4.791 1.00 0.00 ? 14 ALA A HB3 23 ATOM 31428 N N . LYS A 1 15 ? -10.904 -2.346 5.661 1.00 0.00 ? 15 LYS A N 23 ATOM 31429 C CA . LYS A 1 15 ? -9.928 -3.136 6.394 1.00 0.00 ? 15 LYS A CA 23 ATOM 31430 C C . LYS A 1 15 ? -8.931 -3.765 5.426 1.00 0.00 ? 15 LYS A C 23 ATOM 31431 O O . LYS A 1 15 ? -7.802 -4.083 5.800 1.00 0.00 ? 15 LYS A O 23 ATOM 31432 C CB . LYS A 1 15 ? -10.626 -4.224 7.212 1.00 0.00 ? 15 LYS A CB 23 ATOM 31433 C CG . LYS A 1 15 ? -9.800 -4.726 8.386 1.00 0.00 ? 15 LYS A CG 23 ATOM 31434 C CD . LYS A 1 15 ? -10.675 -5.381 9.443 1.00 0.00 ? 15 LYS A CD 23 ATOM 31435 C CE . LYS A 1 15 ? -10.956 -6.837 9.111 1.00 0.00 ? 15 LYS A CE 23 ATOM 31436 N NZ . LYS A 1 15 ? -12.323 -7.249 9.528 1.00 0.00 ? 15 LYS A NZ 23 ATOM 31437 H H . LYS A 1 15 ? -11.810 -2.700 5.533 1.00 0.00 ? 15 LYS A H 23 ATOM 31438 H HA . LYS A 1 15 ? -9.398 -2.474 7.064 1.00 0.00 ? 15 LYS A HA 23 ATOM 31439 H HB2 . LYS A 1 15 ? -11.556 -3.831 7.595 1.00 0.00 ? 15 LYS A HB2 23 ATOM 31440 H HB3 . LYS A 1 15 ? -10.839 -5.064 6.565 1.00 0.00 ? 15 LYS A HB3 23 ATOM 31441 H HG2 . LYS A 1 15 ? -9.084 -5.450 8.028 1.00 0.00 ? 15 LYS A HG2 23 ATOM 31442 H HG3 . LYS A 1 15 ? -9.279 -3.890 8.830 1.00 0.00 ? 15 LYS A HG3 23 ATOM 31443 H HD2 . LYS A 1 15 ? -10.169 -5.332 10.397 1.00 0.00 ? 15 LYS A HD2 23 ATOM 31444 H HD3 . LYS A 1 15 ? -11.612 -4.847 9.502 1.00 0.00 ? 15 LYS A HD3 23 ATOM 31445 H HE2 . LYS A 1 15 ? -10.858 -6.974 8.044 1.00 0.00 ? 15 LYS A HE2 23 ATOM 31446 H HE3 . LYS A 1 15 ? -10.230 -7.456 9.619 1.00 0.00 ? 15 LYS A HE3 23 ATOM 31447 H HZ1 . LYS A 1 15 ? -12.936 -6.414 9.620 1.00 0.00 ? 15 LYS A HZ1 23 ATOM 31448 H HZ2 . LYS A 1 15 ? -12.736 -7.891 8.822 1.00 0.00 ? 15 LYS A HZ2 23 ATOM 31449 H HZ3 . LYS A 1 15 ? -12.285 -7.739 10.446 1.00 0.00 ? 15 LYS A HZ3 23 ATOM 31450 N N . GLU A 1 16 ? -9.360 -3.944 4.176 1.00 0.00 ? 16 GLU A N 23 ATOM 31451 C CA . GLU A 1 16 ? -8.509 -4.535 3.149 1.00 0.00 ? 16 GLU A CA 23 ATOM 31452 C C . GLU A 1 16 ? -7.434 -3.556 2.677 1.00 0.00 ? 16 GLU A C 23 ATOM 31453 O O . GLU A 1 16 ? -6.278 -3.936 2.504 1.00 0.00 ? 16 GLU A O 23 ATOM 31454 C CB . GLU A 1 16 ? -9.353 -4.996 1.960 1.00 0.00 ? 16 GLU A CB 23 ATOM 31455 C CG . GLU A 1 16 ? -9.661 -6.484 1.972 1.00 0.00 ? 16 GLU A CG 23 ATOM 31456 C CD . GLU A 1 16 ? -11.147 -6.772 1.882 1.00 0.00 ? 16 GLU A CD 23 ATOM 31457 O OE1 . GLU A 1 16 ? -11.932 -6.050 2.534 1.00 0.00 ? 16 GLU A OE1 23 ATOM 31458 O OE2 . GLU A 1 16 ? -11.527 -7.718 1.162 1.00 0.00 ? 16 GLU A OE2 23 ATOM 31459 H H . GLU A 1 16 ? -10.275 -3.675 3.940 1.00 0.00 ? 16 GLU A H 23 ATOM 31460 H HA . GLU A 1 16 ? -8.020 -5.394 3.584 1.00 0.00 ? 16 GLU A HA 23 ATOM 31461 H HB2 . GLU A 1 16 ? -10.289 -4.456 1.967 1.00 0.00 ? 16 GLU A HB2 23 ATOM 31462 H HB3 . GLU A 1 16 ? -8.823 -4.768 1.048 1.00 0.00 ? 16 GLU A HB3 23 ATOM 31463 H HG2 . GLU A 1 16 ? -9.170 -6.948 1.131 1.00 0.00 ? 16 GLU A HG2 23 ATOM 31464 H HG3 . GLU A 1 16 ? -9.282 -6.910 2.890 1.00 0.00 ? 16 GLU A HG3 23 ATOM 31465 N N . ILE A 1 17 ? -7.816 -2.296 2.471 1.00 0.00 ? 17 ILE A N 23 ATOM 31466 C CA . ILE A 1 17 ? -6.868 -1.278 2.027 1.00 0.00 ? 17 ILE A CA 23 ATOM 31467 C C . ILE A 1 17 ? -5.958 -0.860 3.178 1.00 0.00 ? 17 ILE A C 23 ATOM 31468 O O . ILE A 1 17 ? -4.822 -0.437 2.964 1.00 0.00 ? 17 ILE A O 23 ATOM 31469 C CB . ILE A 1 17 ? -7.599 -0.037 1.459 1.00 0.00 ? 17 ILE A CB 23 ATOM 31470 C CG1 . ILE A 1 17 ? -6.605 1.092 1.137 1.00 0.00 ? 17 ILE A CG1 23 ATOM 31471 C CG2 . ILE A 1 17 ? -8.664 0.439 2.434 1.00 0.00 ? 17 ILE A CG2 23 ATOM 31472 C CD1 . ILE A 1 17 ? -7.261 2.428 0.858 1.00 0.00 ? 17 ILE A CD1 23 ATOM 31473 H H . ILE A 1 17 ? -8.750 -2.045 2.625 1.00 0.00 ? 17 ILE A H 23 ATOM 31474 H HA . ILE A 1 17 ? -6.258 -1.704 1.240 1.00 0.00 ? 17 ILE A HA 23 ATOM 31475 H HB . ILE A 1 17 ? -8.097 -0.334 0.546 1.00 0.00 ? 17 ILE A HB 23 ATOM 31476 H HG12 . ILE A 1 17 ? -5.935 1.225 1.972 1.00 0.00 ? 17 ILE A HG12 23 ATOM 31477 H HG13 . ILE A 1 17 ? -6.033 0.816 0.264 1.00 0.00 ? 17 ILE A HG13 23 ATOM 31478 H HG21 . ILE A 1 17 ? -8.684 -0.216 3.288 1.00 0.00 ? 17 ILE A HG21 23 ATOM 31479 H HG22 . ILE A 1 17 ? -8.435 1.444 2.755 1.00 0.00 ? 17 ILE A HG22 23 ATOM 31480 H HG23 . ILE A 1 17 ? -9.629 0.428 1.947 1.00 0.00 ? 17 ILE A HG23 23 ATOM 31481 H HD11 . ILE A 1 17 ? -8.218 2.268 0.383 1.00 0.00 ? 17 ILE A HD11 23 ATOM 31482 H HD12 . ILE A 1 17 ? -7.407 2.958 1.787 1.00 0.00 ? 17 ILE A HD12 23 ATOM 31483 H HD13 . ILE A 1 17 ? -6.629 3.011 0.206 1.00 0.00 ? 17 ILE A HD13 23 ATOM 31484 N N . GLU A 1 18 ? -6.464 -0.988 4.401 1.00 0.00 ? 18 GLU A N 23 ATOM 31485 C CA . GLU A 1 18 ? -5.692 -0.630 5.584 1.00 0.00 ? 18 GLU A CA 23 ATOM 31486 C C . GLU A 1 18 ? -4.647 -1.696 5.892 1.00 0.00 ? 18 GLU A C 23 ATOM 31487 O O . GLU A 1 18 ? -3.539 -1.386 6.331 1.00 0.00 ? 18 GLU A O 23 ATOM 31488 C CB . GLU A 1 18 ? -6.618 -0.441 6.786 1.00 0.00 ? 18 GLU A CB 23 ATOM 31489 C CG . GLU A 1 18 ? -6.711 0.999 7.265 1.00 0.00 ? 18 GLU A CG 23 ATOM 31490 C CD . GLU A 1 18 ? -6.422 1.140 8.747 1.00 0.00 ? 18 GLU A CD 23 ATOM 31491 O OE1 . GLU A 1 18 ? -7.135 0.507 9.553 1.00 0.00 ? 18 GLU A OE1 23 ATOM 31492 O OE2 . GLU A 1 18 ? -5.482 1.883 9.099 1.00 0.00 ? 18 GLU A OE2 23 ATOM 31493 H H . GLU A 1 18 ? -7.375 -1.334 4.509 1.00 0.00 ? 18 GLU A H 23 ATOM 31494 H HA . GLU A 1 18 ? -5.187 0.302 5.379 1.00 0.00 ? 18 GLU A HA 23 ATOM 31495 H HB2 . GLU A 1 18 ? -7.611 -0.774 6.518 1.00 0.00 ? 18 GLU A HB2 23 ATOM 31496 H HB3 . GLU A 1 18 ? -6.255 -1.047 7.605 1.00 0.00 ? 18 GLU A HB3 23 ATOM 31497 H HG2 . GLU A 1 18 ? -5.997 1.594 6.716 1.00 0.00 ? 18 GLU A HG2 23 ATOM 31498 H HG3 . GLU A 1 18 ? -7.708 1.365 7.070 1.00 0.00 ? 18 GLU A HG3 23 ATOM 31499 N N . ARG A 1 19 ? -5.004 -2.955 5.655 1.00 0.00 ? 19 ARG A N 23 ATOM 31500 C CA . ARG A 1 19 ? -4.091 -4.064 5.905 1.00 0.00 ? 19 ARG A CA 23 ATOM 31501 C C . ARG A 1 19 ? -2.992 -4.103 4.850 1.00 0.00 ? 19 ARG A C 23 ATOM 31502 O O . ARG A 1 19 ? -1.817 -4.300 5.167 1.00 0.00 ? 19 ARG A O 23 ATOM 31503 C CB . ARG A 1 19 ? -4.855 -5.389 5.915 1.00 0.00 ? 19 ARG A CB 23 ATOM 31504 C CG . ARG A 1 19 ? -3.955 -6.608 6.050 1.00 0.00 ? 19 ARG A CG 23 ATOM 31505 C CD . ARG A 1 19 ? -4.745 -7.900 5.914 1.00 0.00 ? 19 ARG A CD 23 ATOM 31506 N NE . ARG A 1 19 ? -4.264 -8.720 4.806 1.00 0.00 ? 19 ARG A NE 23 ATOM 31507 C CZ . ARG A 1 19 ? -4.649 -9.975 4.600 1.00 0.00 ? 19 ARG A CZ 23 ATOM 31508 N NH1 . ARG A 1 19 ? -5.515 -10.550 5.423 1.00 0.00 ? 19 ARG A NH1 23 ATOM 31509 N NH2 . ARG A 1 19 ? -4.168 -10.656 3.568 1.00 0.00 ? 19 ARG A NH2 23 ATOM 31510 H H . ARG A 1 19 ? -5.898 -3.142 5.300 1.00 0.00 ? 19 ARG A H 23 ATOM 31511 H HA . ARG A 1 19 ? -3.639 -3.909 6.873 1.00 0.00 ? 19 ARG A HA 23 ATOM 31512 H HB2 . ARG A 1 19 ? -5.547 -5.385 6.744 1.00 0.00 ? 19 ARG A HB2 23 ATOM 31513 H HB3 . ARG A 1 19 ? -5.410 -5.479 4.993 1.00 0.00 ? 19 ARG A HB3 23 ATOM 31514 H HG2 . ARG A 1 19 ? -3.203 -6.575 5.277 1.00 0.00 ? 19 ARG A HG2 23 ATOM 31515 H HG3 . ARG A 1 19 ? -3.480 -6.585 7.020 1.00 0.00 ? 19 ARG A HG3 23 ATOM 31516 H HD2 . ARG A 1 19 ? -4.651 -8.461 6.832 1.00 0.00 ? 19 ARG A HD2 23 ATOM 31517 H HD3 . ARG A 1 19 ? -5.784 -7.656 5.747 1.00 0.00 ? 19 ARG A HD3 23 ATOM 31518 H HE . ARG A 1 19 ? -3.623 -8.314 4.186 1.00 0.00 ? 19 ARG A HE 23 ATOM 31519 H HH11 . ARG A 1 19 ? -5.879 -10.039 6.201 1.00 0.00 ? 19 ARG A HH11 23 ATOM 31520 H HH12 . ARG A 1 19 ? -5.803 -11.494 5.266 1.00 0.00 ? 19 ARG A HH12 23 ATOM 31521 H HH21 . ARG A 1 19 ? -3.515 -10.225 2.945 1.00 0.00 ? 19 ARG A HH21 23 ATOM 31522 H HH22 . ARG A 1 19 ? -4.458 -11.600 3.415 1.00 0.00 ? 19 ARG A HH22 23 ATOM 31523 N N . LEU A 1 20 ? -3.378 -3.902 3.595 1.00 0.00 ? 20 LEU A N 23 ATOM 31524 C CA . LEU A 1 20 ? -2.424 -3.907 2.500 1.00 0.00 ? 20 LEU A CA 23 ATOM 31525 C C . LEU A 1 20 ? -1.512 -2.692 2.598 1.00 0.00 ? 20 LEU A C 23 ATOM 31526 O O . LEU A 1 20 ? -0.337 -2.755 2.240 1.00 0.00 ? 20 LEU A O 23 ATOM 31527 C CB . LEU A 1 20 ? -3.157 -3.916 1.157 1.00 0.00 ? 20 LEU A CB 23 ATOM 31528 C CG . LEU A 1 20 ? -2.761 -5.048 0.207 1.00 0.00 ? 20 LEU A CG 23 ATOM 31529 C CD1 . LEU A 1 20 ? -2.694 -6.374 0.951 1.00 0.00 ? 20 LEU A CD1 23 ATOM 31530 C CD2 . LEU A 1 20 ? -3.741 -5.138 -0.952 1.00 0.00 ? 20 LEU A CD2 23 ATOM 31531 H H . LEU A 1 20 ? -4.325 -3.738 3.401 1.00 0.00 ? 20 LEU A H 23 ATOM 31532 H HA . LEU A 1 20 ? -1.825 -4.801 2.584 1.00 0.00 ? 20 LEU A HA 23 ATOM 31533 H HB2 . LEU A 1 20 ? -4.217 -3.994 1.352 1.00 0.00 ? 20 LEU A HB2 23 ATOM 31534 H HB3 . LEU A 1 20 ? -2.969 -2.978 0.661 1.00 0.00 ? 20 LEU A HB3 23 ATOM 31535 H HG . LEU A 1 20 ? -1.780 -4.843 -0.197 1.00 0.00 ? 20 LEU A HG 23 ATOM 31536 H HD11 . LEU A 1 20 ? -3.208 -6.282 1.897 1.00 0.00 ? 20 LEU A HD11 23 ATOM 31537 H HD12 . LEU A 1 20 ? -3.165 -7.143 0.358 1.00 0.00 ? 20 LEU A HD12 23 ATOM 31538 H HD13 . LEU A 1 20 ? -1.661 -6.636 1.128 1.00 0.00 ? 20 LEU A HD13 23 ATOM 31539 H HD21 . LEU A 1 20 ? -3.893 -4.155 -1.371 1.00 0.00 ? 20 LEU A HD21 23 ATOM 31540 H HD22 . LEU A 1 20 ? -3.342 -5.795 -1.711 1.00 0.00 ? 20 LEU A HD22 23 ATOM 31541 H HD23 . LEU A 1 20 ? -4.683 -5.526 -0.597 1.00 0.00 ? 20 LEU A HD23 23 ATOM 31542 N N . GLN A 1 21 ? -2.062 -1.588 3.099 1.00 0.00 ? 21 GLN A N 23 ATOM 31543 C CA . GLN A 1 21 ? -1.295 -0.360 3.258 1.00 0.00 ? 21 GLN A CA 23 ATOM 31544 C C . GLN A 1 21 ? -0.175 -0.561 4.271 1.00 0.00 ? 21 GLN A C 23 ATOM 31545 O O . GLN A 1 21 ? 0.950 -0.105 4.064 1.00 0.00 ? 21 GLN A O 23 ATOM 31546 C CB . GLN A 1 21 ? -2.208 0.784 3.705 1.00 0.00 ? 21 GLN A CB 23 ATOM 31547 C CG . GLN A 1 21 ? -1.462 2.067 4.029 1.00 0.00 ? 21 GLN A CG 23 ATOM 31548 C CD . GLN A 1 21 ? -1.299 2.287 5.520 1.00 0.00 ? 21 GLN A CD 23 ATOM 31549 O OE1 . GLN A 1 21 ? -0.191 2.499 6.012 1.00 0.00 ? 21 GLN A OE1 23 ATOM 31550 N NE2 . GLN A 1 21 ? -2.408 2.236 6.250 1.00 0.00 ? 21 GLN A NE2 23 ATOM 31551 H H . GLN A 1 21 ? -3.002 -1.604 3.376 1.00 0.00 ? 21 GLN A H 23 ATOM 31552 H HA . GLN A 1 21 ? -0.862 -0.113 2.301 1.00 0.00 ? 21 GLN A HA 23 ATOM 31553 H HB2 . GLN A 1 21 ? -2.917 0.993 2.917 1.00 0.00 ? 21 GLN A HB2 23 ATOM 31554 H HB3 . GLN A 1 21 ? -2.747 0.474 4.589 1.00 0.00 ? 21 GLN A HB3 23 ATOM 31555 H HG2 . GLN A 1 21 ? -0.481 2.021 3.580 1.00 0.00 ? 21 GLN A HG2 23 ATOM 31556 H HG3 . GLN A 1 21 ? -2.009 2.901 3.614 1.00 0.00 ? 21 GLN A HG3 23 ATOM 31557 H HE21 . GLN A 1 21 ? -3.257 2.062 5.791 1.00 0.00 ? 21 GLN A HE21 23 ATOM 31558 H HE22 . GLN A 1 21 ? -2.333 2.375 7.216 1.00 0.00 ? 21 GLN A HE22 23 ATOM 31559 N N . LYS A 1 22 ? -0.488 -1.254 5.361 1.00 0.00 ? 22 LYS A N 23 ATOM 31560 C CA . LYS A 1 22 ? 0.497 -1.523 6.400 1.00 0.00 ? 22 LYS A CA 23 ATOM 31561 C C . LYS A 1 22 ? 1.664 -2.324 5.832 1.00 0.00 ? 22 LYS A C 23 ATOM 31562 O O . LYS A 1 22 ? 2.828 -2.008 6.080 1.00 0.00 ? 22 LYS A O 23 ATOM 31563 C CB . LYS A 1 22 ? -0.147 -2.287 7.558 1.00 0.00 ? 22 LYS A CB 23 ATOM 31564 C CG . LYS A 1 22 ? 0.835 -2.675 8.652 1.00 0.00 ? 22 LYS A CG 23 ATOM 31565 C CD . LYS A 1 22 ? 0.516 -4.047 9.225 1.00 0.00 ? 22 LYS A CD 23 ATOM 31566 C CE . LYS A 1 22 ? 1.478 -5.104 8.708 1.00 0.00 ? 22 LYS A CE 23 ATOM 31567 N NZ . LYS A 1 22 ? 2.186 -5.803 9.816 1.00 0.00 ? 22 LYS A NZ 23 ATOM 31568 H H . LYS A 1 22 ? -1.402 -1.597 5.466 1.00 0.00 ? 22 LYS A H 23 ATOM 31569 H HA . LYS A 1 22 ? 0.866 -0.576 6.764 1.00 0.00 ? 22 LYS A HA 23 ATOM 31570 H HB2 . LYS A 1 22 ? -0.916 -1.670 7.998 1.00 0.00 ? 22 LYS A HB2 23 ATOM 31571 H HB3 . LYS A 1 22 ? -0.598 -3.189 7.173 1.00 0.00 ? 22 LYS A HB3 23 ATOM 31572 H HG2 . LYS A 1 22 ? 1.832 -2.693 8.238 1.00 0.00 ? 22 LYS A HG2 23 ATOM 31573 H HG3 . LYS A 1 22 ? 0.785 -1.943 9.444 1.00 0.00 ? 22 LYS A HG3 23 ATOM 31574 H HD2 . LYS A 1 22 ? 0.592 -4.002 10.302 1.00 0.00 ? 22 LYS A HD2 23 ATOM 31575 H HD3 . LYS A 1 22 ? -0.491 -4.319 8.944 1.00 0.00 ? 22 LYS A HD3 23 ATOM 31576 H HE2 . LYS A 1 22 ? 0.919 -5.830 8.135 1.00 0.00 ? 22 LYS A HE2 23 ATOM 31577 H HE3 . LYS A 1 22 ? 2.207 -4.628 8.069 1.00 0.00 ? 22 LYS A HE3 23 ATOM 31578 H HZ1 . LYS A 1 22 ? 1.496 -6.237 10.462 1.00 0.00 ? 22 LYS A HZ1 23 ATOM 31579 H HZ2 . LYS A 1 22 ? 2.803 -6.547 9.433 1.00 0.00 ? 22 LYS A HZ2 23 ATOM 31580 H HZ3 . LYS A 1 22 ? 2.768 -5.125 10.350 1.00 0.00 ? 22 LYS A HZ3 23 ATOM 31581 N N . GLU A 1 23 ? 1.342 -3.360 5.065 1.00 0.00 ? 23 GLU A N 23 ATOM 31582 C CA . GLU A 1 23 ? 2.364 -4.203 4.454 1.00 0.00 ? 23 GLU A CA 23 ATOM 31583 C C . GLU A 1 23 ? 3.312 -3.369 3.599 1.00 0.00 ? 23 GLU A C 23 ATOM 31584 O O . GLU A 1 23 ? 4.534 -3.531 3.666 1.00 0.00 ? 23 GLU A O 23 ATOM 31585 C CB . GLU A 1 23 ? 1.712 -5.294 3.602 1.00 0.00 ? 23 GLU A CB 23 ATOM 31586 C CG . GLU A 1 23 ? 2.359 -6.660 3.763 1.00 0.00 ? 23 GLU A CG 23 ATOM 31587 C CD . GLU A 1 23 ? 1.755 -7.461 4.900 1.00 0.00 ? 23 GLU A CD 23 ATOM 31588 O OE1 . GLU A 1 23 ? 1.112 -6.851 5.780 1.00 0.00 ? 23 GLU A OE1 23 ATOM 31589 O OE2 . GLU A 1 23 ? 1.924 -8.698 4.910 1.00 0.00 ? 23 GLU A OE2 23 ATOM 31590 H H . GLU A 1 23 ? 0.394 -3.561 4.901 1.00 0.00 ? 23 GLU A H 23 ATOM 31591 H HA . GLU A 1 23 ? 2.927 -4.668 5.249 1.00 0.00 ? 23 GLU A HA 23 ATOM 31592 H HB2 . GLU A 1 23 ? 0.671 -5.377 3.878 1.00 0.00 ? 23 GLU A HB2 23 ATOM 31593 H HB3 . GLU A 1 23 ? 1.778 -5.008 2.562 1.00 0.00 ? 23 GLU A HB3 23 ATOM 31594 H HG2 . GLU A 1 23 ? 2.232 -7.214 2.846 1.00 0.00 ? 23 GLU A HG2 23 ATOM 31595 H HG3 . GLU A 1 23 ? 3.413 -6.524 3.958 1.00 0.00 ? 23 GLU A HG3 23 ATOM 31596 N N . ILE A 1 24 ? 2.746 -2.467 2.801 1.00 0.00 ? 24 ILE A N 23 ATOM 31597 C CA . ILE A 1 24 ? 3.554 -1.606 1.943 1.00 0.00 ? 24 ILE A CA 23 ATOM 31598 C C . ILE A 1 24 ? 4.356 -0.616 2.797 1.00 0.00 ? 24 ILE A C 23 ATOM 31599 O O . ILE A 1 24 ? 5.394 -0.113 2.372 1.00 0.00 ? 24 ILE A O 23 ATOM 31600 C CB . ILE A 1 24 ? 2.701 -0.858 0.855 1.00 0.00 ? 24 ILE A CB 23 ATOM 31601 C CG1 . ILE A 1 24 ? 2.395 0.599 1.234 1.00 0.00 ? 24 ILE A CG1 23 ATOM 31602 C CG2 . ILE A 1 24 ? 1.402 -1.596 0.570 1.00 0.00 ? 24 ILE A CG2 23 ATOM 31603 C CD1 . ILE A 1 24 ? 3.432 1.572 0.717 1.00 0.00 ? 24 ILE A CD1 23 ATOM 31604 H H . ILE A 1 24 ? 1.771 -2.377 2.799 1.00 0.00 ? 24 ILE A H 23 ATOM 31605 H HA . ILE A 1 24 ? 4.258 -2.246 1.424 1.00 0.00 ? 24 ILE A HA 23 ATOM 31606 H HB . ILE A 1 24 ? 3.277 -0.859 -0.060 1.00 0.00 ? 24 ILE A HB 23 ATOM 31607 H HG12 . ILE A 1 24 ? 1.439 0.880 0.819 1.00 0.00 ? 24 ILE A HG12 23 ATOM 31608 H HG13 . ILE A 1 24 ? 2.359 0.688 2.309 1.00 0.00 ? 24 ILE A HG13 23 ATOM 31609 H HG21 . ILE A 1 24 ? 1.499 -2.628 0.872 1.00 0.00 ? 24 ILE A HG21 23 ATOM 31610 H HG22 . ILE A 1 24 ? 0.598 -1.132 1.122 1.00 0.00 ? 24 ILE A HG22 23 ATOM 31611 H HG23 . ILE A 1 24 ? 1.187 -1.548 -0.486 1.00 0.00 ? 24 ILE A HG23 23 ATOM 31612 H HD11 . ILE A 1 24 ? 4.144 1.042 0.098 1.00 0.00 ? 24 ILE A HD11 23 ATOM 31613 H HD12 . ILE A 1 24 ? 2.945 2.339 0.132 1.00 0.00 ? 24 ILE A HD12 23 ATOM 31614 H HD13 . ILE A 1 24 ? 3.946 2.026 1.551 1.00 0.00 ? 24 ILE A HD13 23 ATOM 31615 N N . GLU A 1 25 ? 3.855 -0.346 4.004 1.00 0.00 ? 25 GLU A N 23 ATOM 31616 C CA . GLU A 1 25 ? 4.515 0.574 4.922 1.00 0.00 ? 25 GLU A CA 23 ATOM 31617 C C . GLU A 1 25 ? 5.761 -0.070 5.522 1.00 0.00 ? 25 GLU A C 23 ATOM 31618 O O . GLU A 1 25 ? 6.701 0.619 5.923 1.00 0.00 ? 25 GLU A O 23 ATOM 31619 C CB . GLU A 1 25 ? 3.556 0.991 6.038 1.00 0.00 ? 25 GLU A CB 23 ATOM 31620 C CG . GLU A 1 25 ? 3.892 2.340 6.655 1.00 0.00 ? 25 GLU A CG 23 ATOM 31621 C CD . GLU A 1 25 ? 4.019 2.273 8.164 1.00 0.00 ? 25 GLU A CD 23 ATOM 31622 O OE1 . GLU A 1 25 ? 5.047 1.756 8.652 1.00 0.00 ? 25 GLU A OE1 23 ATOM 31623 O OE2 . GLU A 1 25 ? 3.091 2.739 8.859 1.00 0.00 ? 25 GLU A OE2 23 ATOM 31624 H H . GLU A 1 25 ? 3.022 -0.778 4.283 1.00 0.00 ? 25 GLU A H 23 ATOM 31625 H HA . GLU A 1 25 ? 4.808 1.449 4.363 1.00 0.00 ? 25 GLU A HA 23 ATOM 31626 H HB2 . GLU A 1 25 ? 2.555 1.044 5.634 1.00 0.00 ? 25 GLU A HB2 23 ATOM 31627 H HB3 . GLU A 1 25 ? 3.582 0.246 6.817 1.00 0.00 ? 25 GLU A HB3 23 ATOM 31628 H HG2 . GLU A 1 25 ? 4.829 2.686 6.245 1.00 0.00 ? 25 GLU A HG2 23 ATOM 31629 H HG3 . GLU A 1 25 ? 3.109 3.041 6.405 1.00 0.00 ? 25 GLU A HG3 23 ATOM 31630 N N . ARG A 1 26 ? 5.765 -1.397 5.577 1.00 0.00 ? 26 ARG A N 23 ATOM 31631 C CA . ARG A 1 26 ? 6.898 -2.130 6.120 1.00 0.00 ? 26 ARG A CA 23 ATOM 31632 C C . ARG A 1 26 ? 8.029 -2.193 5.101 1.00 0.00 ? 26 ARG A C 23 ATOM 31633 O O . ARG A 1 26 ? 9.193 -1.953 5.431 1.00 0.00 ? 26 ARG A O 23 ATOM 31634 C CB . ARG A 1 26 ? 6.475 -3.545 6.522 1.00 0.00 ? 26 ARG A CB 23 ATOM 31635 C CG . ARG A 1 26 ? 7.249 -4.098 7.706 1.00 0.00 ? 26 ARG A CG 23 ATOM 31636 C CD . ARG A 1 26 ? 7.151 -5.614 7.778 1.00 0.00 ? 26 ARG A CD 23 ATOM 31637 N NE . ARG A 1 26 ? 6.919 -6.084 9.141 1.00 0.00 ? 26 ARG A NE 23 ATOM 31638 C CZ . ARG A 1 26 ? 6.698 -7.357 9.453 1.00 0.00 ? 26 ARG A CZ 23 ATOM 31639 N NH1 . ARG A 1 26 ? 6.678 -8.281 8.502 1.00 0.00 ? 26 ARG A NH1 23 ATOM 31640 N NH2 . ARG A 1 26 ? 6.495 -7.705 10.716 1.00 0.00 ? 26 ARG A NH2 23 ATOM 31641 H H . ARG A 1 26 ? 4.989 -1.893 5.242 1.00 0.00 ? 26 ARG A H 23 ATOM 31642 H HA . ARG A 1 26 ? 7.246 -1.604 6.998 1.00 0.00 ? 26 ARG A HA 23 ATOM 31643 H HB2 . ARG A 1 26 ? 5.426 -3.535 6.777 1.00 0.00 ? 26 ARG A HB2 23 ATOM 31644 H HB3 . ARG A 1 26 ? 6.626 -4.206 5.680 1.00 0.00 ? 26 ARG A HB3 23 ATOM 31645 H HG2 . ARG A 1 26 ? 8.287 -3.819 7.608 1.00 0.00 ? 26 ARG A HG2 23 ATOM 31646 H HG3 . ARG A 1 26 ? 6.845 -3.677 8.616 1.00 0.00 ? 26 ARG A HG3 23 ATOM 31647 H HD2 . ARG A 1 26 ? 6.334 -5.939 7.151 1.00 0.00 ? 26 ARG A HD2 23 ATOM 31648 H HD3 . ARG A 1 26 ? 8.075 -6.038 7.413 1.00 0.00 ? 26 ARG A HD3 23 ATOM 31649 H HE . ARG A 1 26 ? 6.929 -5.416 9.859 1.00 0.00 ? 26 ARG A HE 23 ATOM 31650 H HH11 . ARG A 1 26 ? 6.831 -8.020 7.549 1.00 0.00 ? 26 ARG A HH11 23 ATOM 31651 H HH12 . ARG A 1 26 ? 6.512 -9.238 8.739 1.00 0.00 ? 26 ARG A HH12 23 ATOM 31652 H HH21 . ARG A 1 26 ? 6.510 -7.011 11.435 1.00 0.00 ? 26 ARG A HH21 23 ATOM 31653 H HH22 . ARG A 1 26 ? 6.328 -8.664 10.949 1.00 0.00 ? 26 ARG A HH22 23 ATOM 31654 N N . HIS A 1 27 ? 7.680 -2.512 3.858 1.00 0.00 ? 27 HIS A N 23 ATOM 31655 C CA . HIS A 1 27 ? 8.669 -2.602 2.790 1.00 0.00 ? 27 HIS A CA 23 ATOM 31656 C C . HIS A 1 27 ? 9.158 -1.218 2.377 1.00 0.00 ? 27 HIS A C 23 ATOM 31657 O O . HIS A 1 27 ? 10.274 -1.069 1.879 1.00 0.00 ? 27 HIS A O 23 ATOM 31658 C CB . HIS A 1 27 ? 8.082 -3.334 1.582 1.00 0.00 ? 27 HIS A CB 23 ATOM 31659 C CG . HIS A 1 27 ? 8.651 -4.703 1.378 1.00 0.00 ? 27 HIS A CG 23 ATOM 31660 N ND1 . HIS A 1 27 ? 9.979 -4.929 1.085 1.00 0.00 ? 27 HIS A ND1 23 ATOM 31661 C CD2 . HIS A 1 27 ? 8.066 -5.924 1.427 1.00 0.00 ? 27 HIS A CD2 23 ATOM 31662 C CE1 . HIS A 1 27 ? 10.186 -6.228 0.961 1.00 0.00 ? 27 HIS A CE1 23 ATOM 31663 N NE2 . HIS A 1 27 ? 9.042 -6.853 1.165 1.00 0.00 ? 27 HIS A NE2 23 ATOM 31664 H H . HIS A 1 27 ? 6.735 -2.689 3.654 1.00 0.00 ? 27 HIS A H 23 ATOM 31665 H HA . HIS A 1 27 ? 9.509 -3.166 3.166 1.00 0.00 ? 27 HIS A HA 23 ATOM 31666 H HB2 . HIS A 1 27 ? 7.015 -3.435 1.714 1.00 0.00 ? 27 HIS A HB2 23 ATOM 31667 H HB3 . HIS A 1 27 ? 8.276 -2.755 0.690 1.00 0.00 ? 27 HIS A HB3 23 ATOM 31668 H HD1 . HIS A 1 27 ? 10.669 -4.240 0.982 1.00 0.00 ? 27 HIS A HD1 23 ATOM 31669 H HD2 . HIS A 1 27 ? 7.025 -6.128 1.635 1.00 0.00 ? 27 HIS A HD2 23 ATOM 31670 H HE1 . HIS A 1 27 ? 11.132 -6.699 0.734 1.00 0.00 ? 27 HIS A HE1 23 ATOM 31671 H HE2 . HIS A 1 27 ? 8.912 -7.824 1.133 1.00 0.00 ? 27 HIS A HE2 23 ATOM 31672 N N . LYS A 1 28 ? 8.324 -0.206 2.592 1.00 0.00 ? 28 LYS A N 23 ATOM 31673 C CA . LYS A 1 28 ? 8.687 1.163 2.244 1.00 0.00 ? 28 LYS A CA 23 ATOM 31674 C C . LYS A 1 28 ? 9.569 1.768 3.330 1.00 0.00 ? 28 LYS A C 23 ATOM 31675 O O . LYS A 1 28 ? 10.412 2.620 3.055 1.00 0.00 ? 28 LYS A O 23 ATOM 31676 C CB . LYS A 1 28 ? 7.435 2.022 2.028 1.00 0.00 ? 28 LYS A CB 23 ATOM 31677 C CG . LYS A 1 28 ? 6.751 2.460 3.312 1.00 0.00 ? 28 LYS A CG 23 ATOM 31678 C CD . LYS A 1 28 ? 7.368 3.733 3.867 1.00 0.00 ? 28 LYS A CD 23 ATOM 31679 C CE . LYS A 1 28 ? 7.523 3.665 5.377 1.00 0.00 ? 28 LYS A CE 23 ATOM 31680 N NZ . LYS A 1 28 ? 6.412 4.364 6.081 1.00 0.00 ? 28 LYS A NZ 23 ATOM 31681 H H . LYS A 1 28 ? 7.451 -0.383 2.999 1.00 0.00 ? 28 LYS A H 23 ATOM 31682 H HA . LYS A 1 28 ? 9.248 1.126 1.322 1.00 0.00 ? 28 LYS A HA 23 ATOM 31683 H HB2 . LYS A 1 28 ? 7.716 2.909 1.480 1.00 0.00 ? 28 LYS A HB2 23 ATOM 31684 H HB3 . LYS A 1 28 ? 6.724 1.459 1.441 1.00 0.00 ? 28 LYS A HB3 23 ATOM 31685 H HG2 . LYS A 1 28 ? 5.705 2.638 3.109 1.00 0.00 ? 28 LYS A HG2 23 ATOM 31686 H HG3 . LYS A 1 28 ? 6.849 1.674 4.044 1.00 0.00 ? 28 LYS A HG3 23 ATOM 31687 H HD2 . LYS A 1 28 ? 8.342 3.873 3.422 1.00 0.00 ? 28 LYS A HD2 23 ATOM 31688 H HD3 . LYS A 1 28 ? 6.731 4.569 3.616 1.00 0.00 ? 28 LYS A HD3 23 ATOM 31689 H HE2 . LYS A 1 28 ? 7.532 2.628 5.680 1.00 0.00 ? 28 LYS A HE2 23 ATOM 31690 H HE3 . LYS A 1 28 ? 8.459 4.127 5.651 1.00 0.00 ? 28 LYS A HE3 23 ATOM 31691 H HZ1 . LYS A 1 28 ? 5.549 4.337 5.501 1.00 0.00 ? 28 LYS A HZ1 23 ATOM 31692 H HZ2 . LYS A 1 28 ? 6.218 3.901 6.992 1.00 0.00 ? 28 LYS A HZ2 23 ATOM 31693 H HZ3 . LYS A 1 28 ? 6.668 5.357 6.257 1.00 0.00 ? 28 LYS A HZ3 23 ATOM 31694 N N . GLN A 1 29 ? 9.371 1.313 4.563 1.00 0.00 ? 29 GLN A N 23 ATOM 31695 C CA . GLN A 1 29 ? 10.153 1.800 5.689 1.00 0.00 ? 29 GLN A CA 23 ATOM 31696 C C . GLN A 1 29 ? 11.589 1.298 5.595 1.00 0.00 ? 29 GLN A C 23 ATOM 31697 O O . GLN A 1 29 ? 12.534 2.030 5.889 1.00 0.00 ? 29 GLN A O 23 ATOM 31698 C CB . GLN A 1 29 ? 9.525 1.353 7.011 1.00 0.00 ? 29 GLN A CB 23 ATOM 31699 C CG . GLN A 1 29 ? 10.379 1.665 8.229 1.00 0.00 ? 29 GLN A CG 23 ATOM 31700 C CD . GLN A 1 29 ? 9.662 1.375 9.533 1.00 0.00 ? 29 GLN A CD 23 ATOM 31701 O OE1 . GLN A 1 29 ? 9.643 0.238 10.005 1.00 0.00 ? 29 GLN A OE1 23 ATOM 31702 N NE2 . GLN A 1 29 ? 9.067 2.405 10.124 1.00 0.00 ? 29 GLN A NE2 23 ATOM 31703 H H . GLN A 1 29 ? 8.684 0.628 4.717 1.00 0.00 ? 29 GLN A H 23 ATOM 31704 H HA . GLN A 1 29 ? 10.159 2.879 5.648 1.00 0.00 ? 29 GLN A HA 23 ATOM 31705 H HB2 . GLN A 1 29 ? 8.573 1.848 7.129 1.00 0.00 ? 29 GLN A HB2 23 ATOM 31706 H HB3 . GLN A 1 29 ? 9.363 0.286 6.975 1.00 0.00 ? 29 GLN A HB3 23 ATOM 31707 H HG2 . GLN A 1 29 ? 11.275 1.064 8.188 1.00 0.00 ? 29 GLN A HG2 23 ATOM 31708 H HG3 . GLN A 1 29 ? 10.646 2.711 8.207 1.00 0.00 ? 29 GLN A HG3 23 ATOM 31709 H HE21 . GLN A 1 29 ? 9.123 3.283 9.691 1.00 0.00 ? 29 GLN A HE21 23 ATOM 31710 H HE22 . GLN A 1 29 ? 8.596 2.246 10.968 1.00 0.00 ? 29 GLN A HE22 23 ATOM 31711 N N . SER A 1 30 ? 11.745 0.044 5.180 1.00 0.00 ? 30 SER A N 23 ATOM 31712 C CA . SER A 1 30 ? 13.068 -0.552 5.043 1.00 0.00 ? 30 SER A CA 23 ATOM 31713 C C . SER A 1 30 ? 13.817 0.060 3.863 1.00 0.00 ? 30 SER A C 23 ATOM 31714 O O . SER A 1 30 ? 15.000 0.386 3.964 1.00 0.00 ? 30 SER A O 23 ATOM 31715 C CB . SER A 1 30 ? 12.952 -2.066 4.858 1.00 0.00 ? 30 SER A CB 23 ATOM 31716 O OG . SER A 1 30 ? 11.730 -2.411 4.229 1.00 0.00 ? 30 SER A OG 23 ATOM 31717 H H . SER A 1 30 ? 10.951 -0.491 4.957 1.00 0.00 ? 30 SER A H 23 ATOM 31718 H HA . SER A 1 30 ? 13.620 -0.349 5.949 1.00 0.00 ? 30 SER A HA 23 ATOM 31719 H HB2 . SER A 1 30 ? 13.769 -2.416 4.245 1.00 0.00 ? 30 SER A HB2 23 ATOM 31720 H HB3 . SER A 1 30 ? 12.994 -2.548 5.824 1.00 0.00 ? 30 SER A HB3 23 ATOM 31721 H HG . SER A 1 30 ? 11.594 -3.360 4.290 1.00 0.00 ? 30 SER A HG 23 ATOM 31722 N N . ILE A 1 31 ? 13.117 0.214 2.742 1.00 0.00 ? 31 ILE A N 23 ATOM 31723 C CA . ILE A 1 31 ? 13.712 0.785 1.541 1.00 0.00 ? 31 ILE A CA 23 ATOM 31724 C C . ILE A 1 31 ? 13.989 2.277 1.719 1.00 0.00 ? 31 ILE A C 23 ATOM 31725 O O . ILE A 1 31 ? 14.851 2.843 1.045 1.00 0.00 ? 31 ILE A O 23 ATOM 31726 C CB . ILE A 1 31 ? 12.801 0.560 0.316 1.00 0.00 ? 31 ILE A CB 23 ATOM 31727 C CG1 . ILE A 1 31 ? 13.589 0.798 -0.993 1.00 0.00 ? 31 ILE A CG1 23 ATOM 31728 C CG2 . ILE A 1 31 ? 11.542 1.420 0.414 1.00 0.00 ? 31 ILE A CG2 23 ATOM 31729 C CD1 . ILE A 1 31 ? 13.256 2.080 -1.737 1.00 0.00 ? 31 ILE A CD1 23 ATOM 31730 H H . ILE A 1 31 ? 12.177 -0.064 2.723 1.00 0.00 ? 31 ILE A H 23 ATOM 31731 H HA . ILE A 1 31 ? 14.649 0.278 1.362 1.00 0.00 ? 31 ILE A HA 23 ATOM 31732 H HB . ILE A 1 31 ? 12.485 -0.470 0.340 1.00 0.00 ? 31 ILE A HB 23 ATOM 31733 H HG12 . ILE A 1 31 ? 14.642 0.824 -0.764 1.00 0.00 ? 31 ILE A HG12 23 ATOM 31734 H HG13 . ILE A 1 31 ? 13.399 -0.028 -1.664 1.00 0.00 ? 31 ILE A HG13 23 ATOM 31735 H HG21 . ILE A 1 31 ? 11.162 1.383 1.423 1.00 0.00 ? 31 ILE A HG21 23 ATOM 31736 H HG22 . ILE A 1 31 ? 11.781 2.441 0.156 1.00 0.00 ? 31 ILE A HG22 23 ATOM 31737 H HG23 . ILE A 1 31 ? 10.794 1.043 -0.267 1.00 0.00 ? 31 ILE A HG23 23 ATOM 31738 H HD11 . ILE A 1 31 ? 13.402 2.926 -1.082 1.00 0.00 ? 31 ILE A HD11 23 ATOM 31739 H HD12 . ILE A 1 31 ? 13.901 2.173 -2.598 1.00 0.00 ? 31 ILE A HD12 23 ATOM 31740 H HD13 . ILE A 1 31 ? 12.225 2.047 -2.061 1.00 0.00 ? 31 ILE A HD13 23 ATOM 31741 N N . LYS A 1 32 ? 13.257 2.909 2.636 1.00 0.00 ? 32 LYS A N 23 ATOM 31742 C CA . LYS A 1 32 ? 13.434 4.331 2.904 1.00 0.00 ? 32 LYS A CA 23 ATOM 31743 C C . LYS A 1 32 ? 14.662 4.564 3.777 1.00 0.00 ? 32 LYS A C 23 ATOM 31744 O O . LYS A 1 32 ? 15.348 5.578 3.643 1.00 0.00 ? 32 LYS A O 23 ATOM 31745 C CB . LYS A 1 32 ? 12.194 4.906 3.591 1.00 0.00 ? 32 LYS A CB 23 ATOM 31746 C CG . LYS A 1 32 ? 11.246 5.620 2.641 1.00 0.00 ? 32 LYS A CG 23 ATOM 31747 C CD . LYS A 1 32 ? 10.856 4.731 1.472 1.00 0.00 ? 32 LYS A CD 23 ATOM 31748 C CE . LYS A 1 32 ? 10.858 5.501 0.161 1.00 0.00 ? 32 LYS A CE 23 ATOM 31749 N NZ . LYS A 1 32 ? 9.648 5.211 -0.657 1.00 0.00 ? 32 LYS A NZ 23 ATOM 31750 H H . LYS A 1 32 ? 12.589 2.404 3.146 1.00 0.00 ? 32 LYS A H 23 ATOM 31751 H HA . LYS A 1 32 ? 13.578 4.833 1.959 1.00 0.00 ? 32 LYS A HA 23 ATOM 31752 H HB2 . LYS A 1 32 ? 11.654 4.101 4.067 1.00 0.00 ? 32 LYS A HB2 23 ATOM 31753 H HB3 . LYS A 1 32 ? 12.509 5.610 4.346 1.00 0.00 ? 32 LYS A HB3 23 ATOM 31754 H HG2 . LYS A 1 32 ? 10.353 5.899 3.181 1.00 0.00 ? 32 LYS A HG2 23 ATOM 31755 H HG3 . LYS A 1 32 ? 11.732 6.507 2.262 1.00 0.00 ? 32 LYS A HG3 23 ATOM 31756 H HD2 . LYS A 1 32 ? 11.561 3.917 1.401 1.00 0.00 ? 32 LYS A HD2 23 ATOM 31757 H HD3 . LYS A 1 32 ? 9.865 4.337 1.647 1.00 0.00 ? 32 LYS A HD3 23 ATOM 31758 H HE2 . LYS A 1 32 ? 10.888 6.558 0.380 1.00 0.00 ? 32 LYS A HE2 23 ATOM 31759 H HE3 . LYS A 1 32 ? 11.738 5.226 -0.402 1.00 0.00 ? 32 LYS A HE3 23 ATOM 31760 H HZ1 . LYS A 1 32 ? 8.789 5.436 -0.115 1.00 0.00 ? 32 LYS A HZ1 23 ATOM 31761 H HZ2 . LYS A 1 32 ? 9.659 5.783 -1.525 1.00 0.00 ? 32 LYS A HZ2 23 ATOM 31762 H HZ3 . LYS A 1 32 ? 9.626 4.205 -0.917 1.00 0.00 ? 32 LYS A HZ3 23 ATOM 31763 N N . LYS A 1 33 ? 14.934 3.617 4.668 1.00 0.00 ? 33 LYS A N 23 ATOM 31764 C CA . LYS A 1 33 ? 16.082 3.717 5.561 1.00 0.00 ? 33 LYS A CA 23 ATOM 31765 C C . LYS A 1 33 ? 17.380 3.513 4.790 1.00 0.00 ? 33 LYS A C 23 ATOM 31766 O O . LYS A 1 33 ? 18.385 4.171 5.060 1.00 0.00 ? 33 LYS A O 23 ATOM 31767 C CB . LYS A 1 33 ? 15.973 2.684 6.683 1.00 0.00 ? 33 LYS A CB 23 ATOM 31768 C CG . LYS A 1 33 ? 14.981 3.069 7.769 1.00 0.00 ? 33 LYS A CG 23 ATOM 31769 C CD . LYS A 1 33 ? 15.639 3.099 9.140 1.00 0.00 ? 33 LYS A CD 23 ATOM 31770 C CE . LYS A 1 33 ? 14.607 3.213 10.250 1.00 0.00 ? 33 LYS A CE 23 ATOM 31771 N NZ . LYS A 1 33 ? 13.604 4.278 9.970 1.00 0.00 ? 33 LYS A NZ 23 ATOM 31772 H H . LYS A 1 33 ? 14.351 2.832 4.725 1.00 0.00 ? 33 LYS A H 23 ATOM 31773 H HA . LYS A 1 33 ? 16.083 4.707 5.992 1.00 0.00 ? 33 LYS A HA 23 ATOM 31774 H HB2 . LYS A 1 33 ? 15.662 1.741 6.261 1.00 0.00 ? 33 LYS A HB2 23 ATOM 31775 H HB3 . LYS A 1 33 ? 16.944 2.562 7.141 1.00 0.00 ? 33 LYS A HB3 23 ATOM 31776 H HG2 . LYS A 1 33 ? 14.584 4.049 7.551 1.00 0.00 ? 33 LYS A HG2 23 ATOM 31777 H HG3 . LYS A 1 33 ? 14.177 2.347 7.781 1.00 0.00 ? 33 LYS A HG3 23 ATOM 31778 H HD2 . LYS A 1 33 ? 16.201 2.188 9.277 1.00 0.00 ? 33 LYS A HD2 23 ATOM 31779 H HD3 . LYS A 1 33 ? 16.304 3.948 9.190 1.00 0.00 ? 33 LYS A HD3 23 ATOM 31780 H HE2 . LYS A 1 33 ? 14.095 2.267 10.347 1.00 0.00 ? 33 LYS A HE2 23 ATOM 31781 H HE3 . LYS A 1 33 ? 15.116 3.442 11.175 1.00 0.00 ? 33 LYS A HE3 23 ATOM 31782 H HZ1 . LYS A 1 33 ? 13.932 4.881 9.189 1.00 0.00 ? 33 LYS A HZ1 23 ATOM 31783 H HZ2 . LYS A 1 33 ? 12.693 3.851 9.707 1.00 0.00 ? 33 LYS A HZ2 23 ATOM 31784 H HZ3 . LYS A 1 33 ? 13.466 4.869 10.815 1.00 0.00 ? 33 LYS A HZ3 23 ATOM 31785 N N . LEU A 1 34 ? 17.351 2.598 3.826 1.00 0.00 ? 34 LEU A N 23 ATOM 31786 C CA . LEU A 1 34 ? 18.527 2.308 3.013 1.00 0.00 ? 34 LEU A CA 23 ATOM 31787 C C . LEU A 1 34 ? 18.841 3.471 2.078 1.00 0.00 ? 34 LEU A C 23 ATOM 31788 O O . LEU A 1 34 ? 20.002 3.835 1.894 1.00 0.00 ? 34 LEU A O 23 ATOM 31789 C CB . LEU A 1 34 ? 18.310 1.029 2.203 1.00 0.00 ? 34 LEU A CB 23 ATOM 31790 C CG . LEU A 1 34 ? 18.974 -0.222 2.780 1.00 0.00 ? 34 LEU A CG 23 ATOM 31791 C CD1 . LEU A 1 34 ? 18.144 -1.458 2.469 1.00 0.00 ? 34 LEU A CD1 23 ATOM 31792 C CD2 . LEU A 1 34 ? 20.385 -0.375 2.232 1.00 0.00 ? 34 LEU A CD2 23 ATOM 31793 H H . LEU A 1 34 ? 16.520 2.107 3.657 1.00 0.00 ? 34 LEU A H 23 ATOM 31794 H HA . LEU A 1 34 ? 19.363 2.164 3.681 1.00 0.00 ? 34 LEU A HA 23 ATOM 31795 H HB2 . LEU A 1 34 ? 17.248 0.849 2.133 1.00 0.00 ? 34 LEU A HB2 23 ATOM 31796 H HB3 . LEU A 1 34 ? 18.698 1.188 1.208 1.00 0.00 ? 34 LEU A HB3 23 ATOM 31797 H HG . LEU A 1 34 ? 19.040 -0.125 3.853 1.00 0.00 ? 34 LEU A HG 23 ATOM 31798 H HD11 . LEU A 1 34 ? 17.710 -1.363 1.485 1.00 0.00 ? 34 LEU A HD11 23 ATOM 31799 H HD12 . LEU A 1 34 ? 18.775 -2.333 2.501 1.00 0.00 ? 34 LEU A HD12 23 ATOM 31800 H HD13 . LEU A 1 34 ? 17.356 -1.555 3.202 1.00 0.00 ? 34 LEU A HD13 23 ATOM 31801 H HD21 . LEU A 1 34 ? 20.365 -0.301 1.155 1.00 0.00 ? 34 LEU A HD21 23 ATOM 31802 H HD22 . LEU A 1 34 ? 21.015 0.405 2.636 1.00 0.00 ? 34 LEU A HD22 23 ATOM 31803 H HD23 . LEU A 1 34 ? 20.780 -1.339 2.519 1.00 0.00 ? 34 LEU A HD23 23 ATOM 31804 N N . LYS A 1 35 ? 17.800 4.051 1.487 1.00 0.00 ? 35 LYS A N 23 ATOM 31805 C CA . LYS A 1 35 ? 17.972 5.173 0.572 1.00 0.00 ? 35 LYS A CA 23 ATOM 31806 C C . LYS A 1 35 ? 18.310 6.450 1.333 1.00 0.00 ? 35 LYS A C 23 ATOM 31807 O O . LYS A 1 35 ? 18.925 7.367 0.787 1.00 0.00 ? 35 LYS A O 23 ATOM 31808 C CB . LYS A 1 35 ? 16.705 5.380 -0.262 1.00 0.00 ? 35 LYS A CB 23 ATOM 31809 C CG . LYS A 1 35 ? 15.546 5.968 0.524 1.00 0.00 ? 35 LYS A CG 23 ATOM 31810 C CD . LYS A 1 35 ? 15.164 7.346 0.008 1.00 0.00 ? 35 LYS A CD 23 ATOM 31811 C CE . LYS A 1 35 ? 13.873 7.840 0.640 1.00 0.00 ? 35 LYS A CE 23 ATOM 31812 N NZ . LYS A 1 35 ? 14.127 8.855 1.699 1.00 0.00 ? 35 LYS A NZ 23 ATOM 31813 H H . LYS A 1 35 ? 16.896 3.718 1.673 1.00 0.00 ? 35 LYS A H 23 ATOM 31814 H HA . LYS A 1 35 ? 18.792 4.937 -0.089 1.00 0.00 ? 35 LYS A HA 23 ATOM 31815 H HB2 . LYS A 1 35 ? 16.932 6.047 -1.081 1.00 0.00 ? 35 LYS A HB2 23 ATOM 31816 H HB3 . LYS A 1 35 ? 16.392 4.426 -0.662 1.00 0.00 ? 35 LYS A HB3 23 ATOM 31817 H HG2 . LYS A 1 35 ? 14.692 5.313 0.435 1.00 0.00 ? 35 LYS A HG2 23 ATOM 31818 H HG3 . LYS A 1 35 ? 15.832 6.049 1.562 1.00 0.00 ? 35 LYS A HG3 23 ATOM 31819 H HD2 . LYS A 1 35 ? 15.956 8.040 0.242 1.00 0.00 ? 35 LYS A HD2 23 ATOM 31820 H HD3 . LYS A 1 35 ? 15.033 7.294 -1.063 1.00 0.00 ? 35 LYS A HD3 23 ATOM 31821 H HE2 . LYS A 1 35 ? 13.256 8.282 -0.128 1.00 0.00 ? 35 LYS A HE2 23 ATOM 31822 H HE3 . LYS A 1 35 ? 13.356 6.998 1.077 1.00 0.00 ? 35 LYS A HE3 23 ATOM 31823 H HZ1 . LYS A 1 35 ? 15.048 9.313 1.543 1.00 0.00 ? 35 LYS A HZ1 23 ATOM 31824 H HZ2 . LYS A 1 35 ? 13.384 9.582 1.683 1.00 0.00 ? 35 LYS A HZ2 23 ATOM 31825 H HZ3 . LYS A 1 35 ? 14.133 8.403 2.635 1.00 0.00 ? 35 LYS A HZ3 23 ATOM 31826 N N . GLN A 1 36 ? 17.908 6.504 2.599 1.00 0.00 ? 36 GLN A N 23 ATOM 31827 C CA . GLN A 1 36 ? 18.172 7.668 3.436 1.00 0.00 ? 36 GLN A CA 23 ATOM 31828 C C . GLN A 1 36 ? 19.605 7.649 3.954 1.00 0.00 ? 36 GLN A C 23 ATOM 31829 O O . GLN A 1 36 ? 20.189 8.696 4.236 1.00 0.00 ? 36 GLN A O 23 ATOM 31830 C CB . GLN A 1 36 ? 17.193 7.710 4.612 1.00 0.00 ? 36 GLN A CB 23 ATOM 31831 C CG . GLN A 1 36 ? 17.256 9.002 5.410 1.00 0.00 ? 36 GLN A CG 23 ATOM 31832 C CD . GLN A 1 36 ? 16.621 8.871 6.781 1.00 0.00 ? 36 GLN A CD 23 ATOM 31833 O OE1 . GLN A 1 36 ? 17.240 9.185 7.797 1.00 0.00 ? 36 GLN A OE1 23 ATOM 31834 N NE2 . GLN A 1 36 ? 15.378 8.404 6.815 1.00 0.00 ? 36 GLN A NE2 23 ATOM 31835 H H . GLN A 1 36 ? 17.425 5.742 2.980 1.00 0.00 ? 36 GLN A H 23 ATOM 31836 H HA . GLN A 1 36 ? 18.032 8.551 2.830 1.00 0.00 ? 36 GLN A HA 23 ATOM 31837 H HB2 . GLN A 1 36 ? 16.188 7.595 4.233 1.00 0.00 ? 36 GLN A HB2 23 ATOM 31838 H HB3 . GLN A 1 36 ? 17.413 6.889 5.278 1.00 0.00 ? 36 GLN A HB3 23 ATOM 31839 H HG2 . GLN A 1 36 ? 18.291 9.283 5.536 1.00 0.00 ? 36 GLN A HG2 23 ATOM 31840 H HG3 . GLN A 1 36 ? 16.739 9.775 4.862 1.00 0.00 ? 36 GLN A HG3 23 ATOM 31841 H HE21 . GLN A 1 36 ? 14.947 8.174 5.966 1.00 0.00 ? 36 GLN A HE21 23 ATOM 31842 H HE22 . GLN A 1 36 ? 14.943 8.309 7.689 1.00 0.00 ? 36 GLN A HE22 23 ATOM 31843 N N . SER A 1 37 ? 20.168 6.451 4.077 1.00 0.00 ? 37 SER A N 23 ATOM 31844 C CA . SER A 1 37 ? 21.535 6.294 4.561 1.00 0.00 ? 37 SER A CA 23 ATOM 31845 C C . SER A 1 37 ? 22.540 6.709 3.493 1.00 0.00 ? 37 SER A C 23 ATOM 31846 O O . SER A 1 37 ? 23.660 7.114 3.804 1.00 0.00 ? 37 SER A O 23 ATOM 31847 C CB . SER A 1 37 ? 21.786 4.845 4.981 1.00 0.00 ? 37 SER A CB 23 ATOM 31848 O OG . SER A 1 37 ? 22.590 4.783 6.146 1.00 0.00 ? 37 SER A OG 23 ATOM 31849 H H . SER A 1 37 ? 19.651 5.653 3.837 1.00 0.00 ? 37 SER A H 23 ATOM 31850 H HA . SER A 1 37 ? 21.657 6.936 5.421 1.00 0.00 ? 37 SER A HA 23 ATOM 31851 H HB2 . SER A 1 37 ? 20.842 4.363 5.185 1.00 0.00 ? 37 SER A HB2 23 ATOM 31852 H HB3 . SER A 1 37 ? 22.291 4.323 4.181 1.00 0.00 ? 37 SER A HB3 23 ATOM 31853 H HG . SER A 1 37 ? 22.174 5.286 6.850 1.00 0.00 ? 37 SER A HG 23 ATOM 31854 N N . GLU A 1 38 ? 22.133 6.606 2.231 1.00 0.00 ? 38 GLU A N 23 ATOM 31855 C CA . GLU A 1 38 ? 22.998 6.971 1.116 1.00 0.00 ? 38 GLU A CA 23 ATOM 31856 C C . GLU A 1 38 ? 23.162 8.485 1.028 1.00 0.00 ? 38 GLU A C 23 ATOM 31857 O O . GLU A 1 38 ? 24.154 8.982 0.493 1.00 0.00 ? 38 GLU A O 23 ATOM 31858 C CB . GLU A 1 38 ? 22.430 6.430 -0.197 1.00 0.00 ? 38 GLU A CB 23 ATOM 31859 C CG . GLU A 1 38 ? 23.437 6.416 -1.335 1.00 0.00 ? 38 GLU A CG 23 ATOM 31860 C CD . GLU A 1 38 ? 22.810 6.751 -2.673 1.00 0.00 ? 38 GLU A CD 23 ATOM 31861 O OE1 . GLU A 1 38 ? 21.905 6.008 -3.108 1.00 0.00 ? 38 GLU A OE1 23 ATOM 31862 O OE2 . GLU A 1 38 ? 23.223 7.757 -3.287 1.00 0.00 ? 38 GLU A OE2 23 ATOM 31863 H H . GLU A 1 38 ? 21.228 6.277 2.046 1.00 0.00 ? 38 GLU A H 23 ATOM 31864 H HA . GLU A 1 38 ? 23.967 6.527 1.290 1.00 0.00 ? 38 GLU A HA 23 ATOM 31865 H HB2 . GLU A 1 38 ? 22.085 5.419 -0.037 1.00 0.00 ? 38 GLU A HB2 23 ATOM 31866 H HB3 . GLU A 1 38 ? 21.593 7.044 -0.494 1.00 0.00 ? 38 GLU A HB3 23 ATOM 31867 H HG2 . GLU A 1 38 ? 24.209 7.141 -1.126 1.00 0.00 ? 38 GLU A HG2 23 ATOM 31868 H HG3 . GLU A 1 38 ? 23.878 5.431 -1.397 1.00 0.00 ? 38 GLU A HG3 23 ATOM 31869 N N . ASP A 1 39 ? 22.183 9.215 1.555 1.00 0.00 ? 39 ASP A N 23 ATOM 31870 C CA . ASP A 1 39 ? 22.221 10.673 1.534 1.00 0.00 ? 39 ASP A CA 23 ATOM 31871 C C . ASP A 1 39 ? 21.779 11.247 2.877 1.00 0.00 ? 39 ASP A C 23 ATOM 31872 O O . ASP A 1 39 ? 21.224 12.344 2.941 1.00 0.00 ? 39 ASP A O 23 ATOM 31873 C CB . ASP A 1 39 ? 21.325 11.210 0.418 1.00 0.00 ? 39 ASP A CB 23 ATOM 31874 C CG . ASP A 1 39 ? 19.871 10.824 0.607 1.00 0.00 ? 39 ASP A CG 23 ATOM 31875 O OD1 . ASP A 1 39 ? 19.135 11.588 1.266 1.00 0.00 ? 39 ASP A OD1 23 ATOM 31876 O OD2 . ASP A 1 39 ? 19.469 9.758 0.097 1.00 0.00 ? 39 ASP A OD2 23 ATOM 31877 H H . ASP A 1 39 ? 21.419 8.763 1.968 1.00 0.00 ? 39 ASP A H 23 ATOM 31878 H HA . ASP A 1 39 ? 23.239 10.976 1.345 1.00 0.00 ? 39 ASP A HA 23 ATOM 31879 H HB2 . ASP A 1 39 ? 21.392 12.288 0.398 1.00 0.00 ? 39 ASP A HB2 23 ATOM 31880 H HB3 . ASP A 1 39 ? 21.663 10.815 -0.529 1.00 0.00 ? 39 ASP A HB3 23 ATOM 31881 N N . ASP A 1 40 ? 22.028 10.498 3.946 1.00 0.00 ? 40 ASP A N 23 ATOM 31882 C CA . ASP A 1 40 ? 21.655 10.933 5.287 1.00 0.00 ? 40 ASP A CA 23 ATOM 31883 C C . ASP A 1 40 ? 20.177 11.306 5.346 1.00 0.00 ? 40 ASP A C 23 ATOM 31884 O O . ASP A 1 40 ? 19.453 11.170 4.361 1.00 0.00 ? 40 ASP A O 23 ATOM 31885 C CB . ASP A 1 40 ? 22.512 12.126 5.717 1.00 0.00 ? 40 ASP A CB 23 ATOM 31886 C CG . ASP A 1 40 ? 23.067 11.964 7.118 1.00 0.00 ? 40 ASP A CG 23 ATOM 31887 O OD1 . ASP A 1 40 ? 23.883 11.042 7.330 1.00 0.00 ? 40 ASP A OD1 23 ATOM 31888 O OD2 . ASP A 1 40 ? 22.688 12.759 8.003 1.00 0.00 ? 40 ASP A OD2 23 ATOM 31889 H H . ASP A 1 40 ? 22.473 9.632 3.831 1.00 0.00 ? 40 ASP A H 23 ATOM 31890 H HA . ASP A 1 40 ? 21.834 10.111 5.964 1.00 0.00 ? 40 ASP A HA 23 ATOM 31891 H HB2 . ASP A 1 40 ? 23.339 12.232 5.031 1.00 0.00 ? 40 ASP A HB2 23 ATOM 31892 H HB3 . ASP A 1 40 ? 21.909 13.022 5.689 1.00 0.00 ? 40 ASP A HB3 23 ATOM 31893 N N . ASP A 1 41 ? 19.737 11.776 6.509 1.00 0.00 ? 41 ASP A N 23 ATOM 31894 C CA . ASP A 1 41 ? 18.346 12.169 6.697 1.00 0.00 ? 41 ASP A CA 23 ATOM 31895 C C . ASP A 1 41 ? 17.912 13.165 5.625 1.00 0.00 ? 41 ASP A C 23 ATOM 31896 O O . ASP A 1 41 ? 18.733 14.031 5.257 1.00 0.00 ? 41 ASP A O 23 ATOM 31897 C CB . ASP A 1 41 ? 18.148 12.778 8.086 1.00 0.00 ? 41 ASP A CB 23 ATOM 31898 C CG . ASP A 1 41 ? 16.766 12.504 8.646 1.00 0.00 ? 41 ASP A CG 23 ATOM 31899 O OD1 . ASP A 1 41 ? 16.429 11.318 8.843 1.00 0.00 ? 41 ASP A OD1 23 ATOM 31900 O OD2 . ASP A 1 41 ? 16.020 13.477 8.887 1.00 0.00 ? 41 ASP A OD2 23 ATOM 31901 O OXT . ASP A 1 41 ? 16.755 13.069 5.164 1.00 0.00 ? 41 ASP A OXT 23 ATOM 31902 H H . ASP A 1 41 ? 20.363 11.861 7.258 1.00 0.00 ? 41 ASP A H 23 ATOM 31903 H HA . ASP A 1 41 ? 17.736 11.281 6.613 1.00 0.00 ? 41 ASP A HA 23 ATOM 31904 H HB2 . ASP A 1 41 ? 18.879 12.360 8.763 1.00 0.00 ? 41 ASP A HB2 23 ATOM 31905 H HB3 . ASP A 1 41 ? 18.288 13.847 8.026 1.00 0.00 ? 41 ASP A HB3 23 ATOM 31906 N N . ALA B 1 1 ? 32.090 9.430 -2.064 1.00 0.00 ? 1 ALA B N 23 ATOM 31907 C CA . ALA B 1 1 ? 31.482 8.105 -1.779 1.00 0.00 ? 1 ALA B CA 23 ATOM 31908 C C . ALA B 1 1 ? 30.462 7.729 -2.848 1.00 0.00 ? 1 ALA B C 23 ATOM 31909 O O . ALA B 1 1 ? 29.509 8.468 -3.097 1.00 0.00 ? 1 ALA B O 23 ATOM 31910 C CB . ALA B 1 1 ? 30.828 8.110 -0.404 1.00 0.00 ? 1 ALA B CB 23 ATOM 31911 H H1 . ALA B 1 1 ? 32.058 9.577 -3.093 1.00 0.00 ? 1 ALA B H1 23 ATOM 31912 H H2 . ALA B 1 1 ? 31.532 10.150 -1.562 1.00 0.00 ? 1 ALA B H2 23 ATOM 31913 H H3 . ALA B 1 1 ? 33.071 9.410 -1.717 1.00 0.00 ? 1 ALA B H3 23 ATOM 31914 H HA . ALA B 1 1 ? 32.268 7.364 -1.772 1.00 0.00 ? 1 ALA B HA 23 ATOM 31915 H HB1 . ALA B 1 1 ? 31.011 9.058 0.078 1.00 0.00 ? 1 ALA B HB1 23 ATOM 31916 H HB2 . ALA B 1 1 ? 29.764 7.960 -0.512 1.00 0.00 ? 1 ALA B HB2 23 ATOM 31917 H HB3 . ALA B 1 1 ? 31.244 7.314 0.195 1.00 0.00 ? 1 ALA B HB3 23 ATOM 31918 N N . LEU B 1 2 ? 30.668 6.577 -3.477 1.00 0.00 ? 2 LEU B N 23 ATOM 31919 C CA . LEU B 1 2 ? 29.765 6.104 -4.521 1.00 0.00 ? 2 LEU B CA 23 ATOM 31920 C C . LEU B 1 2 ? 29.789 4.582 -4.614 1.00 0.00 ? 2 LEU B C 23 ATOM 31921 O O . LEU B 1 2 ? 30.025 4.020 -5.683 1.00 0.00 ? 2 LEU B O 23 ATOM 31922 C CB . LEU B 1 2 ? 30.147 6.715 -5.870 1.00 0.00 ? 2 LEU B CB 23 ATOM 31923 C CG . LEU B 1 2 ? 31.635 7.025 -6.043 1.00 0.00 ? 2 LEU B CG 23 ATOM 31924 C CD1 . LEU B 1 2 ? 32.020 6.990 -7.514 1.00 0.00 ? 2 LEU B CD1 23 ATOM 31925 C CD2 . LEU B 1 2 ? 31.971 8.378 -5.433 1.00 0.00 ? 2 LEU B CD2 23 ATOM 31926 H H . LEU B 1 2 ? 31.445 6.031 -3.234 1.00 0.00 ? 2 LEU B H 23 ATOM 31927 H HA . LEU B 1 2 ? 28.766 6.421 -4.262 1.00 0.00 ? 2 LEU B HA 23 ATOM 31928 H HB2 . LEU B 1 2 ? 29.851 6.027 -6.649 1.00 0.00 ? 2 LEU B HB2 23 ATOM 31929 H HB3 . LEU B 1 2 ? 29.594 7.635 -5.995 1.00 0.00 ? 2 LEU B HB3 23 ATOM 31930 H HG . LEU B 1 2 ? 32.215 6.272 -5.528 1.00 0.00 ? 2 LEU B HG 23 ATOM 31931 H HD11 . LEU B 1 2 ? 31.146 7.179 -8.119 1.00 0.00 ? 2 LEU B HD11 23 ATOM 31932 H HD12 . LEU B 1 2 ? 32.764 7.748 -7.710 1.00 0.00 ? 2 LEU B HD12 23 ATOM 31933 H HD13 . LEU B 1 2 ? 32.423 6.019 -7.757 1.00 0.00 ? 2 LEU B HD13 23 ATOM 31934 H HD21 . LEU B 1 2 ? 31.081 8.807 -4.998 1.00 0.00 ? 2 LEU B HD21 23 ATOM 31935 H HD22 . LEU B 1 2 ? 32.723 8.251 -4.668 1.00 0.00 ? 2 LEU B HD22 23 ATOM 31936 H HD23 . LEU B 1 2 ? 32.348 9.036 -6.203 1.00 0.00 ? 2 LEU B HD23 23 ATOM 31937 N N . LYS B 1 3 ? 29.541 3.920 -3.488 1.00 0.00 ? 3 LYS B N 23 ATOM 31938 C CA . LYS B 1 3 ? 29.533 2.462 -3.444 1.00 0.00 ? 3 LYS B CA 23 ATOM 31939 C C . LYS B 1 3 ? 28.550 1.896 -4.464 1.00 0.00 ? 3 LYS B C 23 ATOM 31940 O O . LYS B 1 3 ? 28.849 0.920 -5.153 1.00 0.00 ? 3 LYS B O 23 ATOM 31941 C CB . LYS B 1 3 ? 29.166 1.975 -2.040 1.00 0.00 ? 3 LYS B CB 23 ATOM 31942 C CG . LYS B 1 3 ? 29.856 2.746 -0.927 1.00 0.00 ? 3 LYS B CG 23 ATOM 31943 C CD . LYS B 1 3 ? 31.345 2.901 -1.192 1.00 0.00 ? 3 LYS B CD 23 ATOM 31944 C CE . LYS B 1 3 ? 32.149 2.836 0.096 1.00 0.00 ? 3 LYS B CE 23 ATOM 31945 N NZ . LYS B 1 3 ? 31.552 3.682 1.167 1.00 0.00 ? 3 LYS B NZ 23 ATOM 31946 H H . LYS B 1 3 ? 29.358 4.425 -2.667 1.00 0.00 ? 3 LYS B H 23 ATOM 31947 H HA . LYS B 1 3 ? 30.526 2.118 -3.688 1.00 0.00 ? 3 LYS B HA 23 ATOM 31948 H HB2 . LYS B 1 3 ? 28.099 2.069 -1.907 1.00 0.00 ? 3 LYS B HB2 23 ATOM 31949 H HB3 . LYS B 1 3 ? 29.441 0.934 -1.951 1.00 0.00 ? 3 LYS B HB3 23 ATOM 31950 H HG2 . LYS B 1 3 ? 29.410 3.727 -0.852 1.00 0.00 ? 3 LYS B HG2 23 ATOM 31951 H HG3 . LYS B 1 3 ? 29.718 2.214 0.004 1.00 0.00 ? 3 LYS B HG3 23 ATOM 31952 H HD2 . LYS B 1 3 ? 31.668 2.107 -1.848 1.00 0.00 ? 3 LYS B HD2 23 ATOM 31953 H HD3 . LYS B 1 3 ? 31.517 3.856 -1.667 1.00 0.00 ? 3 LYS B HD3 23 ATOM 31954 H HE2 . LYS B 1 3 ? 32.181 1.811 0.435 1.00 0.00 ? 3 LYS B HE2 23 ATOM 31955 H HE3 . LYS B 1 3 ? 33.153 3.180 -0.105 1.00 0.00 ? 3 LYS B HE3 23 ATOM 31956 H HZ1 . LYS B 1 3 ? 31.081 4.508 0.749 1.00 0.00 ? 3 LYS B HZ1 23 ATOM 31957 H HZ2 . LYS B 1 3 ? 30.850 3.133 1.705 1.00 0.00 ? 3 LYS B HZ2 23 ATOM 31958 H HZ3 . LYS B 1 3 ? 32.294 4.011 1.818 1.00 0.00 ? 3 LYS B HZ3 23 ATOM 31959 N N . LYS B 1 4 ? 27.379 2.516 -4.556 1.00 0.00 ? 4 LYS B N 23 ATOM 31960 C CA . LYS B 1 4 ? 26.351 2.077 -5.493 1.00 0.00 ? 4 LYS B CA 23 ATOM 31961 C C . LYS B 1 4 ? 25.742 0.744 -5.063 1.00 0.00 ? 4 LYS B C 23 ATOM 31962 O O . LYS B 1 4 ? 25.148 0.035 -5.875 1.00 0.00 ? 4 LYS B O 23 ATOM 31963 C CB . LYS B 1 4 ? 26.935 1.951 -6.901 1.00 0.00 ? 4 LYS B CB 23 ATOM 31964 C CG . LYS B 1 4 ? 27.744 3.163 -7.335 1.00 0.00 ? 4 LYS B CG 23 ATOM 31965 C CD . LYS B 1 4 ? 27.457 3.538 -8.779 1.00 0.00 ? 4 LYS B CD 23 ATOM 31966 C CE . LYS B 1 4 ? 26.840 4.924 -8.882 1.00 0.00 ? 4 LYS B CE 23 ATOM 31967 N NZ . LYS B 1 4 ? 26.853 5.435 -10.280 1.00 0.00 ? 4 LYS B NZ 23 ATOM 31968 H H . LYS B 1 4 ? 27.201 3.289 -3.981 1.00 0.00 ? 4 LYS B H 23 ATOM 31969 H HA . LYS B 1 4 ? 25.572 2.825 -5.503 1.00 0.00 ? 4 LYS B HA 23 ATOM 31970 H HB2 . LYS B 1 4 ? 27.578 1.084 -6.936 1.00 0.00 ? 4 LYS B HB2 23 ATOM 31971 H HB3 . LYS B 1 4 ? 26.126 1.817 -7.604 1.00 0.00 ? 4 LYS B HB3 23 ATOM 31972 H HG2 . LYS B 1 4 ? 27.491 3.998 -6.699 1.00 0.00 ? 4 LYS B HG2 23 ATOM 31973 H HG3 . LYS B 1 4 ? 28.796 2.936 -7.233 1.00 0.00 ? 4 LYS B HG3 23 ATOM 31974 H HD2 . LYS B 1 4 ? 28.382 3.525 -9.336 1.00 0.00 ? 4 LYS B HD2 23 ATOM 31975 H HD3 . LYS B 1 4 ? 26.772 2.817 -9.198 1.00 0.00 ? 4 LYS B HD3 23 ATOM 31976 H HE2 . LYS B 1 4 ? 25.819 4.876 -8.536 1.00 0.00 ? 4 LYS B HE2 23 ATOM 31977 H HE3 . LYS B 1 4 ? 27.400 5.601 -8.255 1.00 0.00 ? 4 LYS B HE3 23 ATOM 31978 H HZ1 . LYS B 1 4 ? 27.215 4.703 -10.926 1.00 0.00 ? 4 LYS B HZ1 23 ATOM 31979 H HZ2 . LYS B 1 4 ? 25.890 5.696 -10.575 1.00 0.00 ? 4 LYS B HZ2 23 ATOM 31980 H HZ3 . LYS B 1 4 ? 27.463 6.274 -10.348 1.00 0.00 ? 4 LYS B HZ3 23 ATOM 31981 N N . HIS B 1 5 ? 25.888 0.410 -3.784 1.00 0.00 ? 5 HIS B N 23 ATOM 31982 C CA . HIS B 1 5 ? 25.345 -0.835 -3.255 1.00 0.00 ? 5 HIS B CA 23 ATOM 31983 C C . HIS B 1 5 ? 23.950 -0.610 -2.677 1.00 0.00 ? 5 HIS B C 23 ATOM 31984 O O . HIS B 1 5 ? 23.084 -1.485 -2.748 1.00 0.00 ? 5 HIS B O 23 ATOM 31985 C CB . HIS B 1 5 ? 26.278 -1.417 -2.188 1.00 0.00 ? 5 HIS B CB 23 ATOM 31986 C CG . HIS B 1 5 ? 26.227 -0.699 -0.872 1.00 0.00 ? 5 HIS B CG 23 ATOM 31987 N ND1 . HIS B 1 5 ? 26.113 -1.355 0.336 1.00 0.00 ? 5 HIS B ND1 23 ATOM 31988 C CD2 . HIS B 1 5 ? 26.276 0.622 -0.578 1.00 0.00 ? 5 HIS B CD2 23 ATOM 31989 C CE1 . HIS B 1 5 ? 26.093 -0.467 1.316 1.00 0.00 ? 5 HIS B CE1 23 ATOM 31990 N NE2 . HIS B 1 5 ? 26.191 0.737 0.787 1.00 0.00 ? 5 HIS B NE2 23 ATOM 31991 H H . HIS B 1 5 ? 26.367 1.016 -3.181 1.00 0.00 ? 5 HIS B H 23 ATOM 31992 H HA . HIS B 1 5 ? 25.269 -1.535 -4.076 1.00 0.00 ? 5 HIS B HA 23 ATOM 31993 H HB2 . HIS B 1 5 ? 26.010 -2.447 -2.012 1.00 0.00 ? 5 HIS B HB2 23 ATOM 31994 H HB3 . HIS B 1 5 ? 27.295 -1.374 -2.551 1.00 0.00 ? 5 HIS B HB3 23 ATOM 31995 H HD1 . HIS B 1 5 ? 26.054 -2.325 0.458 1.00 0.00 ? 5 HIS B HD1 23 ATOM 31996 H HD2 . HIS B 1 5 ? 26.365 1.434 -1.286 1.00 0.00 ? 5 HIS B HD2 23 ATOM 31997 H HE1 . HIS B 1 5 ? 26.012 -0.691 2.369 1.00 0.00 ? 5 HIS B HE1 23 ATOM 31998 H HE2 . HIS B 1 5 ? 26.201 1.578 1.290 1.00 0.00 ? 5 HIS B HE2 23 ATOM 31999 N N . HIS B 1 6 ? 23.741 0.575 -2.110 1.00 0.00 ? 6 HIS B N 23 ATOM 32000 C CA . HIS B 1 6 ? 22.453 0.920 -1.525 1.00 0.00 ? 6 HIS B CA 23 ATOM 32001 C C . HIS B 1 6 ? 21.373 0.957 -2.595 1.00 0.00 ? 6 HIS B C 23 ATOM 32002 O O . HIS B 1 6 ? 20.266 0.479 -2.379 1.00 0.00 ? 6 HIS B O 23 ATOM 32003 C CB . HIS B 1 6 ? 22.533 2.268 -0.808 1.00 0.00 ? 6 HIS B CB 23 ATOM 32004 C CG . HIS B 1 6 ? 23.191 2.195 0.535 1.00 0.00 ? 6 HIS B CG 23 ATOM 32005 N ND1 . HIS B 1 6 ? 23.366 1.013 1.225 1.00 0.00 ? 6 HIS B ND1 23 ATOM 32006 C CD2 . HIS B 1 6 ? 23.717 3.168 1.319 1.00 0.00 ? 6 HIS B CD2 23 ATOM 32007 C CE1 . HIS B 1 6 ? 23.970 1.262 2.374 1.00 0.00 ? 6 HIS B CE1 23 ATOM 32008 N NE2 . HIS B 1 6 ? 24.193 2.561 2.454 1.00 0.00 ? 6 HIS B NE2 23 ATOM 32009 H H . HIS B 1 6 ? 24.467 1.232 -2.089 1.00 0.00 ? 6 HIS B H 23 ATOM 32010 H HA . HIS B 1 6 ? 22.200 0.151 -0.809 1.00 0.00 ? 6 HIS B HA 23 ATOM 32011 H HB2 . HIS B 1 6 ? 23.098 2.959 -1.416 1.00 0.00 ? 6 HIS B HB2 23 ATOM 32012 H HB3 . HIS B 1 6 ? 21.533 2.654 -0.669 1.00 0.00 ? 6 HIS B HB3 23 ATOM 32013 H HD1 . HIS B 1 6 ? 23.089 0.124 0.920 1.00 0.00 ? 6 HIS B HD1 23 ATOM 32014 H HD2 . HIS B 1 6 ? 23.754 4.223 1.092 1.00 0.00 ? 6 HIS B HD2 23 ATOM 32015 H HE1 . HIS B 1 6 ? 24.237 0.528 3.120 1.00 0.00 ? 6 HIS B HE1 23 ATOM 32016 H HE2 . HIS B 1 6 ? 24.630 3.015 3.204 1.00 0.00 ? 6 HIS B HE2 23 ATOM 32017 N N . GLU B 1 7 ? 21.706 1.519 -3.753 1.00 0.00 ? 7 GLU B N 23 ATOM 32018 C CA . GLU B 1 7 ? 20.761 1.600 -4.858 1.00 0.00 ? 7 GLU B CA 23 ATOM 32019 C C . GLU B 1 7 ? 20.351 0.201 -5.306 1.00 0.00 ? 7 GLU B C 23 ATOM 32020 O O . GLU B 1 7 ? 19.264 0.006 -5.849 1.00 0.00 ? 7 GLU B O 23 ATOM 32021 C CB . GLU B 1 7 ? 21.376 2.367 -6.030 1.00 0.00 ? 7 GLU B CB 23 ATOM 32022 C CG . GLU B 1 7 ? 22.616 1.705 -6.608 1.00 0.00 ? 7 GLU B CG 23 ATOM 32023 C CD . GLU B 1 7 ? 23.214 2.491 -7.758 1.00 0.00 ? 7 GLU B CD 23 ATOM 32024 O OE1 . GLU B 1 7 ? 23.894 3.504 -7.496 1.00 0.00 ? 7 GLU B OE1 23 ATOM 32025 O OE2 . GLU B 1 7 ? 23.001 2.092 -8.923 1.00 0.00 ? 7 GLU B OE2 23 ATOM 32026 H H . GLU B 1 7 ? 22.606 1.880 -3.869 1.00 0.00 ? 7 GLU B H 23 ATOM 32027 H HA . GLU B 1 7 ? 19.885 2.128 -4.510 1.00 0.00 ? 7 GLU B HA 23 ATOM 32028 H HB2 . GLU B 1 7 ? 20.640 2.451 -6.816 1.00 0.00 ? 7 GLU B HB2 23 ATOM 32029 H HB3 . GLU B 1 7 ? 21.645 3.358 -5.695 1.00 0.00 ? 7 GLU B HB3 23 ATOM 32030 H HG2 . GLU B 1 7 ? 23.359 1.619 -5.828 1.00 0.00 ? 7 GLU B HG2 23 ATOM 32031 H HG3 . GLU B 1 7 ? 22.351 0.720 -6.962 1.00 0.00 ? 7 GLU B HG3 23 ATOM 32032 N N . ASN B 1 8 ? 21.229 -0.772 -5.065 1.00 0.00 ? 8 ASN B N 23 ATOM 32033 C CA . ASN B 1 8 ? 20.957 -2.157 -5.432 1.00 0.00 ? 8 ASN B CA 23 ATOM 32034 C C . ASN B 1 8 ? 19.843 -2.727 -4.561 1.00 0.00 ? 8 ASN B C 23 ATOM 32035 O O . ASN B 1 8 ? 18.776 -3.092 -5.057 1.00 0.00 ? 8 ASN B O 23 ATOM 32036 C CB . ASN B 1 8 ? 22.222 -3.005 -5.287 1.00 0.00 ? 8 ASN B CB 23 ATOM 32037 C CG . ASN B 1 8 ? 22.593 -3.715 -6.575 1.00 0.00 ? 8 ASN B CG 23 ATOM 32038 O OD1 . ASN B 1 8 ? 21.780 -3.827 -7.492 1.00 0.00 ? 8 ASN B OD1 23 ATOM 32039 N ND2 . ASN B 1 8 ? 23.829 -4.198 -6.650 1.00 0.00 ? 8 ASN B ND2 23 ATOM 32040 H H . ASN B 1 8 ? 22.075 -0.554 -4.624 1.00 0.00 ? 8 ASN B H 23 ATOM 32041 H HA . ASN B 1 8 ? 20.636 -2.173 -6.463 1.00 0.00 ? 8 ASN B HA 23 ATOM 32042 H HB2 . ASN B 1 8 ? 23.045 -2.367 -5.000 1.00 0.00 ? 8 ASN B HB2 23 ATOM 32043 H HB3 . ASN B 1 8 ? 22.064 -3.749 -4.521 1.00 0.00 ? 8 ASN B HB3 23 ATOM 32044 H HD21 . ASN B 1 8 ? 24.422 -4.071 -5.880 1.00 0.00 ? 8 ASN B HD21 23 ATOM 32045 H HD22 . ASN B 1 8 ? 24.096 -4.661 -7.471 1.00 0.00 ? 8 ASN B HD22 23 ATOM 32046 N N . GLU B 1 9 ? 20.089 -2.781 -3.254 1.00 0.00 ? 9 GLU B N 23 ATOM 32047 C CA . GLU B 1 9 ? 19.090 -3.285 -2.317 1.00 0.00 ? 9 GLU B CA 23 ATOM 32048 C C . GLU B 1 9 ? 17.887 -2.341 -2.257 1.00 0.00 ? 9 GLU B C 23 ATOM 32049 O O . GLU B 1 9 ? 16.832 -2.694 -1.728 1.00 0.00 ? 9 GLU B O 23 ATOM 32050 C CB . GLU B 1 9 ? 19.700 -3.444 -0.924 1.00 0.00 ? 9 GLU B CB 23 ATOM 32051 C CG . GLU B 1 9 ? 18.697 -3.879 0.133 1.00 0.00 ? 9 GLU B CG 23 ATOM 32052 C CD . GLU B 1 9 ? 19.327 -4.721 1.224 1.00 0.00 ? 9 GLU B CD 23 ATOM 32053 O OE1 . GLU B 1 9 ? 20.283 -4.239 1.869 1.00 0.00 ? 9 GLU B OE1 23 ATOM 32054 O OE2 . GLU B 1 9 ? 18.865 -5.862 1.435 1.00 0.00 ? 9 GLU B OE2 23 ATOM 32055 H H . GLU B 1 9 ? 20.953 -2.457 -2.910 1.00 0.00 ? 9 GLU B H 23 ATOM 32056 H HA . GLU B 1 9 ? 18.759 -4.250 -2.672 1.00 0.00 ? 9 GLU B HA 23 ATOM 32057 H HB2 . GLU B 1 9 ? 20.485 -4.185 -0.970 1.00 0.00 ? 9 GLU B HB2 23 ATOM 32058 H HB3 . GLU B 1 9 ? 20.125 -2.500 -0.619 1.00 0.00 ? 9 GLU B HB3 23 ATOM 32059 H HG2 . GLU B 1 9 ? 18.264 -2.998 0.584 1.00 0.00 ? 9 GLU B HG2 23 ATOM 32060 H HG3 . GLU B 1 9 ? 17.919 -4.457 -0.344 1.00 0.00 ? 9 GLU B HG3 23 ATOM 32061 N N . ILE B 1 10 ? 18.055 -1.141 -2.810 1.00 0.00 ? 10 ILE B N 23 ATOM 32062 C CA . ILE B 1 10 ? 17.002 -0.140 -2.834 1.00 0.00 ? 10 ILE B CA 23 ATOM 32063 C C . ILE B 1 10 ? 16.121 -0.336 -4.067 1.00 0.00 ? 10 ILE B C 23 ATOM 32064 O O . ILE B 1 10 ? 14.944 0.026 -4.066 1.00 0.00 ? 10 ILE B O 23 ATOM 32065 C CB . ILE B 1 10 ? 17.621 1.287 -2.806 1.00 0.00 ? 10 ILE B CB 23 ATOM 32066 C CG1 . ILE B 1 10 ? 18.075 1.629 -1.386 1.00 0.00 ? 10 ILE B CG1 23 ATOM 32067 C CG2 . ILE B 1 10 ? 16.659 2.355 -3.317 1.00 0.00 ? 10 ILE B CG2 23 ATOM 32068 C CD1 . ILE B 1 10 ? 18.980 2.840 -1.318 1.00 0.00 ? 10 ILE B CD1 23 ATOM 32069 H H . ILE B 1 10 ? 18.910 -0.924 -3.222 1.00 0.00 ? 10 ILE B H 23 ATOM 32070 H HA . ILE B 1 10 ? 16.396 -0.269 -1.948 1.00 0.00 ? 10 ILE B HA 23 ATOM 32071 H HB . ILE B 1 10 ? 18.484 1.286 -3.452 1.00 0.00 ? 10 ILE B HB 23 ATOM 32072 H HG12 . ILE B 1 10 ? 17.208 1.829 -0.776 1.00 0.00 ? 10 ILE B HG12 23 ATOM 32073 H HG13 . ILE B 1 10 ? 18.613 0.788 -0.976 1.00 0.00 ? 10 ILE B HG13 23 ATOM 32074 H HG21 . ILE B 1 10 ? 16.297 2.076 -4.294 1.00 0.00 ? 10 ILE B HG21 23 ATOM 32075 H HG22 . ILE B 1 10 ? 15.828 2.448 -2.635 1.00 0.00 ? 10 ILE B HG22 23 ATOM 32076 H HG23 . ILE B 1 10 ? 17.181 3.299 -3.382 1.00 0.00 ? 10 ILE B HG23 23 ATOM 32077 H HD11 . ILE B 1 10 ? 19.794 2.722 -2.018 1.00 0.00 ? 10 ILE B HD11 23 ATOM 32078 H HD12 . ILE B 1 10 ? 18.416 3.726 -1.568 1.00 0.00 ? 10 ILE B HD12 23 ATOM 32079 H HD13 . ILE B 1 10 ? 19.377 2.936 -0.318 1.00 0.00 ? 10 ILE B HD13 23 ATOM 32080 N N . SER B 1 11 ? 16.696 -0.926 -5.110 1.00 0.00 ? 11 SER B N 23 ATOM 32081 C CA . SER B 1 11 ? 15.958 -1.188 -6.336 1.00 0.00 ? 11 SER B CA 23 ATOM 32082 C C . SER B 1 11 ? 15.028 -2.376 -6.132 1.00 0.00 ? 11 SER B C 23 ATOM 32083 O O . SER B 1 11 ? 13.881 -2.369 -6.582 1.00 0.00 ? 11 SER B O 23 ATOM 32084 C CB . SER B 1 11 ? 16.922 -1.464 -7.493 1.00 0.00 ? 11 SER B CB 23 ATOM 32085 O OG . SER B 1 11 ? 16.342 -1.104 -8.735 1.00 0.00 ? 11 SER B OG 23 ATOM 32086 H H . SER B 1 11 ? 17.633 -1.204 -5.047 1.00 0.00 ? 11 SER B H 23 ATOM 32087 H HA . SER B 1 11 ? 15.368 -0.313 -6.565 1.00 0.00 ? 11 SER B HA 23 ATOM 32088 H HB2 . SER B 1 11 ? 17.824 -0.890 -7.351 1.00 0.00 ? 11 SER B HB2 23 ATOM 32089 H HB3 . SER B 1 11 ? 17.163 -2.517 -7.513 1.00 0.00 ? 11 SER B HB3 23 ATOM 32090 H HG . SER B 1 11 ? 16.482 -0.168 -8.894 1.00 0.00 ? 11 SER B HG 23 ATOM 32091 N N . HIS B 1 12 ? 15.527 -3.389 -5.432 1.00 0.00 ? 12 HIS B N 23 ATOM 32092 C CA . HIS B 1 12 ? 14.739 -4.576 -5.150 1.00 0.00 ? 12 HIS B CA 23 ATOM 32093 C C . HIS B 1 12 ? 13.628 -4.228 -4.155 1.00 0.00 ? 12 HIS B C 23 ATOM 32094 O O . HIS B 1 12 ? 12.453 -4.519 -4.396 1.00 0.00 ? 12 HIS B O 23 ATOM 32095 C CB . HIS B 1 12 ? 15.667 -5.706 -4.646 1.00 0.00 ? 12 HIS B CB 23 ATOM 32096 C CG . HIS B 1 12 ? 15.162 -6.492 -3.472 1.00 0.00 ? 12 HIS B CG 23 ATOM 32097 N ND1 . HIS B 1 12 ? 14.365 -7.612 -3.593 1.00 0.00 ? 12 HIS B ND1 23 ATOM 32098 C CD2 . HIS B 1 12 ? 15.352 -6.309 -2.147 1.00 0.00 ? 12 HIS B CD2 23 ATOM 32099 C CE1 . HIS B 1 12 ? 14.087 -8.083 -2.390 1.00 0.00 ? 12 HIS B CE1 23 ATOM 32100 N NE2 . HIS B 1 12 ? 14.674 -7.309 -1.496 1.00 0.00 ? 12 HIS B NE2 23 ATOM 32101 H H . HIS B 1 12 ? 16.445 -3.331 -5.085 1.00 0.00 ? 12 HIS B H 23 ATOM 32102 H HA . HIS B 1 12 ? 14.281 -4.890 -6.077 1.00 0.00 ? 12 HIS B HA 23 ATOM 32103 H HB2 . HIS B 1 12 ? 15.830 -6.404 -5.452 1.00 0.00 ? 12 HIS B HB2 23 ATOM 32104 H HB3 . HIS B 1 12 ? 16.617 -5.272 -4.367 1.00 0.00 ? 12 HIS B HB3 23 ATOM 32105 H HD1 . HIS B 1 12 ? 14.051 -8.002 -4.435 1.00 0.00 ? 12 HIS B HD1 23 ATOM 32106 H HD2 . HIS B 1 12 ? 15.928 -5.515 -1.689 1.00 0.00 ? 12 HIS B HD2 23 ATOM 32107 H HE1 . HIS B 1 12 ? 13.484 -8.952 -2.175 1.00 0.00 ? 12 HIS B HE1 23 ATOM 32108 H HE2 . HIS B 1 12 ? 14.632 -7.433 -0.525 1.00 0.00 ? 12 HIS B HE2 23 ATOM 32109 N N . HIS B 1 13 ? 13.993 -3.577 -3.051 1.00 0.00 ? 13 HIS B N 23 ATOM 32110 C CA . HIS B 1 13 ? 13.000 -3.180 -2.065 1.00 0.00 ? 13 HIS B CA 23 ATOM 32111 C C . HIS B 1 13 ? 12.035 -2.181 -2.689 1.00 0.00 ? 13 HIS B C 23 ATOM 32112 O O . HIS B 1 13 ? 10.877 -2.091 -2.289 1.00 0.00 ? 13 HIS B O 23 ATOM 32113 C CB . HIS B 1 13 ? 13.654 -2.560 -0.833 1.00 0.00 ? 13 HIS B CB 23 ATOM 32114 C CG . HIS B 1 13 ? 14.564 -3.483 -0.091 1.00 0.00 ? 13 HIS B CG 23 ATOM 32115 N ND1 . HIS B 1 13 ? 14.367 -4.846 -0.016 1.00 0.00 ? 13 HIS B ND1 23 ATOM 32116 C CD2 . HIS B 1 13 ? 15.679 -3.224 0.626 1.00 0.00 ? 13 HIS B CD2 23 ATOM 32117 C CE1 . HIS B 1 13 ? 15.326 -5.386 0.716 1.00 0.00 ? 13 HIS B CE1 23 ATOM 32118 N NE2 . HIS B 1 13 ? 16.135 -4.422 1.116 1.00 0.00 ? 13 HIS B NE2 23 ATOM 32119 H H . HIS B 1 13 ? 14.937 -3.343 -2.909 1.00 0.00 ? 13 HIS B H 23 ATOM 32120 H HA . HIS B 1 13 ? 12.451 -4.061 -1.772 1.00 0.00 ? 13 HIS B HA 23 ATOM 32121 H HB2 . HIS B 1 13 ? 14.232 -1.699 -1.133 1.00 0.00 ? 13 HIS B HB2 23 ATOM 32122 H HB3 . HIS B 1 13 ? 12.879 -2.247 -0.152 1.00 0.00 ? 13 HIS B HB3 23 ATOM 32123 H HD1 . HIS B 1 13 ? 13.635 -5.343 -0.437 1.00 0.00 ? 13 HIS B HD1 23 ATOM 32124 H HD2 . HIS B 1 13 ? 16.122 -2.252 0.784 1.00 0.00 ? 13 HIS B HD2 23 ATOM 32125 H HE1 . HIS B 1 13 ? 15.431 -6.436 0.947 1.00 0.00 ? 13 HIS B HE1 23 ATOM 32126 H HE2 . HIS B 1 13 ? 16.931 -4.545 1.674 1.00 0.00 ? 13 HIS B HE2 23 ATOM 32127 N N . ALA B 1 14 ? 12.521 -1.440 -3.684 1.00 0.00 ? 14 ALA B N 23 ATOM 32128 C CA . ALA B 1 14 ? 11.699 -0.458 -4.378 1.00 0.00 ? 14 ALA B CA 23 ATOM 32129 C C . ALA B 1 14 ? 10.588 -1.161 -5.143 1.00 0.00 ? 14 ALA B C 23 ATOM 32130 O O . ALA B 1 14 ? 9.470 -0.659 -5.248 1.00 0.00 ? 14 ALA B O 23 ATOM 32131 C CB . ALA B 1 14 ? 12.550 0.380 -5.320 1.00 0.00 ? 14 ALA B CB 23 ATOM 32132 H H . ALA B 1 14 ? 13.451 -1.565 -3.964 1.00 0.00 ? 14 ALA B H 23 ATOM 32133 H HA . ALA B 1 14 ? 11.259 0.196 -3.639 1.00 0.00 ? 14 ALA B HA 23 ATOM 32134 H HB1 . ALA B 1 14 ? 13.377 -0.214 -5.681 1.00 0.00 ? 14 ALA B HB1 23 ATOM 32135 H HB2 . ALA B 1 14 ? 12.929 1.242 -4.792 1.00 0.00 ? 14 ALA B HB2 23 ATOM 32136 H HB3 . ALA B 1 14 ? 11.948 0.705 -6.156 1.00 0.00 ? 14 ALA B HB3 23 ATOM 32137 N N . LYS B 1 15 ? 10.904 -2.343 -5.662 1.00 0.00 ? 15 LYS B N 23 ATOM 32138 C CA . LYS B 1 15 ? 9.928 -3.132 -6.397 1.00 0.00 ? 15 LYS B CA 23 ATOM 32139 C C . LYS B 1 15 ? 8.931 -3.762 -5.427 1.00 0.00 ? 15 LYS B C 23 ATOM 32140 O O . LYS B 1 15 ? 7.802 -4.079 -5.801 1.00 0.00 ? 15 LYS B O 23 ATOM 32141 C CB . LYS B 1 15 ? 10.627 -4.220 -7.214 1.00 0.00 ? 15 LYS B CB 23 ATOM 32142 C CG . LYS B 1 15 ? 9.802 -4.721 -8.389 1.00 0.00 ? 15 LYS B CG 23 ATOM 32143 C CD . LYS B 1 15 ? 10.677 -5.376 -9.445 1.00 0.00 ? 15 LYS B CD 23 ATOM 32144 C CE . LYS B 1 15 ? 10.957 -6.833 -9.113 1.00 0.00 ? 15 LYS B CE 23 ATOM 32145 N NZ . LYS B 1 15 ? 12.326 -7.245 -9.532 1.00 0.00 ? 15 LYS B NZ 23 ATOM 32146 H H . LYS B 1 15 ? 11.810 -2.696 -5.535 1.00 0.00 ? 15 LYS B H 23 ATOM 32147 H HA . LYS B 1 15 ? 9.398 -2.470 -7.065 1.00 0.00 ? 15 LYS B HA 23 ATOM 32148 H HB2 . LYS B 1 15 ? 11.557 -3.826 -7.597 1.00 0.00 ? 15 LYS B HB2 23 ATOM 32149 H HB3 . LYS B 1 15 ? 10.840 -5.059 -6.568 1.00 0.00 ? 15 LYS B HB3 23 ATOM 32150 H HG2 . LYS B 1 15 ? 9.086 -5.445 -8.030 1.00 0.00 ? 15 LYS B HG2 23 ATOM 32151 H HG3 . LYS B 1 15 ? 9.281 -3.885 -8.832 1.00 0.00 ? 15 LYS B HG3 23 ATOM 32152 H HD2 . LYS B 1 15 ? 10.171 -5.325 -10.399 1.00 0.00 ? 15 LYS B HD2 23 ATOM 32153 H HD3 . LYS B 1 15 ? 11.614 -4.842 -9.504 1.00 0.00 ? 15 LYS B HD3 23 ATOM 32154 H HE2 . LYS B 1 15 ? 10.860 -6.970 -8.047 1.00 0.00 ? 15 LYS B HE2 23 ATOM 32155 H HE3 . LYS B 1 15 ? 10.233 -7.450 -9.622 1.00 0.00 ? 15 LYS B HE3 23 ATOM 32156 H HZ1 . LYS B 1 15 ? 12.938 -6.410 -9.622 1.00 0.00 ? 15 LYS B HZ1 23 ATOM 32157 H HZ2 . LYS B 1 15 ? 12.737 -7.887 -8.825 1.00 0.00 ? 15 LYS B HZ2 23 ATOM 32158 H HZ3 . LYS B 1 15 ? 12.286 -7.733 -10.449 1.00 0.00 ? 15 LYS B HZ3 23 ATOM 32159 N N . GLU B 1 16 ? 9.360 -3.941 -4.178 1.00 0.00 ? 16 GLU B N 23 ATOM 32160 C CA . GLU B 1 16 ? 8.509 -4.533 -3.151 1.00 0.00 ? 16 GLU B CA 23 ATOM 32161 C C . GLU B 1 16 ? 7.435 -3.553 -2.678 1.00 0.00 ? 16 GLU B C 23 ATOM 32162 O O . GLU B 1 16 ? 6.280 -3.933 -2.505 1.00 0.00 ? 16 GLU B O 23 ATOM 32163 C CB . GLU B 1 16 ? 9.354 -4.994 -1.962 1.00 0.00 ? 16 GLU B CB 23 ATOM 32164 C CG . GLU B 1 16 ? 9.662 -6.482 -1.975 1.00 0.00 ? 16 GLU B CG 23 ATOM 32165 C CD . GLU B 1 16 ? 11.148 -6.771 -1.886 1.00 0.00 ? 16 GLU B CD 23 ATOM 32166 O OE1 . GLU B 1 16 ? 11.933 -6.049 -2.536 1.00 0.00 ? 16 GLU B OE1 23 ATOM 32167 O OE2 . GLU B 1 16 ? 11.527 -7.718 -1.166 1.00 0.00 ? 16 GLU B OE2 23 ATOM 32168 H H . GLU B 1 16 ? 10.275 -3.673 -3.942 1.00 0.00 ? 16 GLU B H 23 ATOM 32169 H HA . GLU B 1 16 ? 8.021 -5.392 -3.586 1.00 0.00 ? 16 GLU B HA 23 ATOM 32170 H HB2 . GLU B 1 16 ? 10.290 -4.454 -1.970 1.00 0.00 ? 16 GLU B HB2 23 ATOM 32171 H HB3 . GLU B 1 16 ? 8.824 -4.765 -1.049 1.00 0.00 ? 16 GLU B HB3 23 ATOM 32172 H HG2 . GLU B 1 16 ? 9.170 -6.946 -1.133 1.00 0.00 ? 16 GLU B HG2 23 ATOM 32173 H HG3 . GLU B 1 16 ? 9.282 -6.907 -2.893 1.00 0.00 ? 16 GLU B HG3 23 ATOM 32174 N N . ILE B 1 17 ? 7.816 -2.294 -2.473 1.00 0.00 ? 17 ILE B N 23 ATOM 32175 C CA . ILE B 1 17 ? 6.868 -1.275 -2.028 1.00 0.00 ? 17 ILE B CA 23 ATOM 32176 C C . ILE B 1 17 ? 5.959 -0.858 -3.180 1.00 0.00 ? 17 ILE B C 23 ATOM 32177 O O . ILE B 1 17 ? 4.823 -0.434 -2.965 1.00 0.00 ? 17 ILE B O 23 ATOM 32178 C CB . ILE B 1 17 ? 7.599 -0.034 -1.459 1.00 0.00 ? 17 ILE B CB 23 ATOM 32179 C CG1 . ILE B 1 17 ? 6.605 1.093 -1.135 1.00 0.00 ? 17 ILE B CG1 23 ATOM 32180 C CG2 . ILE B 1 17 ? 8.664 0.443 -2.434 1.00 0.00 ? 17 ILE B CG2 23 ATOM 32181 C CD1 . ILE B 1 17 ? 7.261 2.430 -0.856 1.00 0.00 ? 17 ILE B CD1 23 ATOM 32182 H H . ILE B 1 17 ? 8.750 -2.042 -2.627 1.00 0.00 ? 17 ILE B H 23 ATOM 32183 H HA . ILE B 1 17 ? 6.258 -1.701 -1.241 1.00 0.00 ? 17 ILE B HA 23 ATOM 32184 H HB . ILE B 1 17 ? 8.098 -0.332 -0.547 1.00 0.00 ? 17 ILE B HB 23 ATOM 32185 H HG12 . ILE B 1 17 ? 5.935 1.227 -1.970 1.00 0.00 ? 17 ILE B HG12 23 ATOM 32186 H HG13 . ILE B 1 17 ? 6.033 0.816 -0.263 1.00 0.00 ? 17 ILE B HG13 23 ATOM 32187 H HG21 . ILE B 1 17 ? 8.684 -0.213 -3.288 1.00 0.00 ? 17 ILE B HG21 23 ATOM 32188 H HG22 . ILE B 1 17 ? 8.434 1.448 -2.755 1.00 0.00 ? 17 ILE B HG22 23 ATOM 32189 H HG23 . ILE B 1 17 ? 9.628 0.432 -1.946 1.00 0.00 ? 17 ILE B HG23 23 ATOM 32190 H HD11 . ILE B 1 17 ? 8.218 2.268 -0.380 1.00 0.00 ? 17 ILE B HD11 23 ATOM 32191 H HD12 . ILE B 1 17 ? 7.406 2.960 -1.785 1.00 0.00 ? 17 ILE B HD12 23 ATOM 32192 H HD13 . ILE B 1 17 ? 6.628 3.012 -0.203 1.00 0.00 ? 17 ILE B HD13 23 ATOM 32193 N N . GLU B 1 18 ? 6.464 -0.985 -4.402 1.00 0.00 ? 18 GLU B N 23 ATOM 32194 C CA . GLU B 1 18 ? 5.693 -0.626 -5.585 1.00 0.00 ? 18 GLU B CA 23 ATOM 32195 C C . GLU B 1 18 ? 4.648 -1.693 -5.893 1.00 0.00 ? 18 GLU B C 23 ATOM 32196 O O . GLU B 1 18 ? 3.539 -1.382 -6.332 1.00 0.00 ? 18 GLU B O 23 ATOM 32197 C CB . GLU B 1 18 ? 6.619 -0.438 -6.788 1.00 0.00 ? 18 GLU B CB 23 ATOM 32198 C CG . GLU B 1 18 ? 6.712 1.002 -7.265 1.00 0.00 ? 18 GLU B CG 23 ATOM 32199 C CD . GLU B 1 18 ? 6.423 1.145 -8.746 1.00 0.00 ? 18 GLU B CD 23 ATOM 32200 O OE1 . GLU B 1 18 ? 7.136 0.513 -9.555 1.00 0.00 ? 18 GLU B OE1 23 ATOM 32201 O OE2 . GLU B 1 18 ? 5.482 1.887 -9.098 1.00 0.00 ? 18 GLU B OE2 23 ATOM 32202 H H . GLU B 1 18 ? 7.374 -1.332 -4.511 1.00 0.00 ? 18 GLU B H 23 ATOM 32203 H HA . GLU B 1 18 ? 5.187 0.305 -5.380 1.00 0.00 ? 18 GLU B HA 23 ATOM 32204 H HB2 . GLU B 1 18 ? 7.611 -0.771 -6.520 1.00 0.00 ? 18 GLU B HB2 23 ATOM 32205 H HB3 . GLU B 1 18 ? 6.256 -1.043 -7.606 1.00 0.00 ? 18 GLU B HB3 23 ATOM 32206 H HG2 . GLU B 1 18 ? 5.998 1.597 -6.716 1.00 0.00 ? 18 GLU B HG2 23 ATOM 32207 H HG3 . GLU B 1 18 ? 7.710 1.368 -7.071 1.00 0.00 ? 18 GLU B HG3 23 ATOM 32208 N N . ARG B 1 19 ? 5.004 -2.952 -5.657 1.00 0.00 ? 19 ARG B N 23 ATOM 32209 C CA . ARG B 1 19 ? 4.092 -4.060 -5.907 1.00 0.00 ? 19 ARG B CA 23 ATOM 32210 C C . ARG B 1 19 ? 2.993 -4.099 -4.852 1.00 0.00 ? 19 ARG B C 23 ATOM 32211 O O . ARG B 1 19 ? 1.817 -4.297 -5.169 1.00 0.00 ? 19 ARG B O 23 ATOM 32212 C CB . ARG B 1 19 ? 4.855 -5.386 -5.917 1.00 0.00 ? 19 ARG B CB 23 ATOM 32213 C CG . ARG B 1 19 ? 3.956 -6.604 -6.057 1.00 0.00 ? 19 ARG B CG 23 ATOM 32214 C CD . ARG B 1 19 ? 4.745 -7.896 -5.921 1.00 0.00 ? 19 ARG B CD 23 ATOM 32215 N NE . ARG B 1 19 ? 4.264 -8.716 -4.813 1.00 0.00 ? 19 ARG B NE 23 ATOM 32216 C CZ . ARG B 1 19 ? 4.648 -9.971 -4.605 1.00 0.00 ? 19 ARG B CZ 23 ATOM 32217 N NH1 . ARG B 1 19 ? 5.514 -10.546 -5.429 1.00 0.00 ? 19 ARG B NH1 23 ATOM 32218 N NH2 . ARG B 1 19 ? 4.167 -10.652 -3.574 1.00 0.00 ? 19 ARG B NH2 23 ATOM 32219 H H . ARG B 1 19 ? 5.899 -3.139 -5.301 1.00 0.00 ? 19 ARG B H 23 ATOM 32220 H HA . ARG B 1 19 ? 3.640 -3.906 -6.874 1.00 0.00 ? 19 ARG B HA 23 ATOM 32221 H HB2 . ARG B 1 19 ? 5.550 -5.381 -6.743 1.00 0.00 ? 19 ARG B HB2 23 ATOM 32222 H HB3 . ARG B 1 19 ? 5.408 -5.477 -4.994 1.00 0.00 ? 19 ARG B HB3 23 ATOM 32223 H HG2 . ARG B 1 19 ? 3.201 -6.572 -5.286 1.00 0.00 ? 19 ARG B HG2 23 ATOM 32224 H HG3 . ARG B 1 19 ? 3.484 -6.580 -7.028 1.00 0.00 ? 19 ARG B HG3 23 ATOM 32225 H HD2 . ARG B 1 19 ? 4.651 -8.458 -6.838 1.00 0.00 ? 19 ARG B HD2 23 ATOM 32226 H HD3 . ARG B 1 19 ? 5.784 -7.653 -5.752 1.00 0.00 ? 19 ARG B HD3 23 ATOM 32227 H HE . ARG B 1 19 ? 3.623 -8.310 -4.193 1.00 0.00 ? 19 ARG B HE 23 ATOM 32228 H HH11 . ARG B 1 19 ? 5.879 -10.035 -6.207 1.00 0.00 ? 19 ARG B HH11 23 ATOM 32229 H HH12 . ARG B 1 19 ? 5.803 -11.491 -5.272 1.00 0.00 ? 19 ARG B HH12 23 ATOM 32230 H HH21 . ARG B 1 19 ? 3.514 -10.222 -2.952 1.00 0.00 ? 19 ARG B HH21 23 ATOM 32231 H HH22 . ARG B 1 19 ? 4.457 -11.597 -3.420 1.00 0.00 ? 19 ARG B HH22 23 ATOM 32232 N N . LEU B 1 20 ? 3.378 -3.900 -3.597 1.00 0.00 ? 20 LEU B N 23 ATOM 32233 C CA . LEU B 1 20 ? 2.424 -3.904 -2.503 1.00 0.00 ? 20 LEU B CA 23 ATOM 32234 C C . LEU B 1 20 ? 1.513 -2.689 -2.600 1.00 0.00 ? 20 LEU B C 23 ATOM 32235 O O . LEU B 1 20 ? 0.337 -2.752 -2.241 1.00 0.00 ? 20 LEU B O 23 ATOM 32236 C CB . LEU B 1 20 ? 3.157 -3.915 -1.159 1.00 0.00 ? 20 LEU B CB 23 ATOM 32237 C CG . LEU B 1 20 ? 2.760 -5.048 -0.210 1.00 0.00 ? 20 LEU B CG 23 ATOM 32238 C CD1 . LEU B 1 20 ? 2.692 -6.372 -0.954 1.00 0.00 ? 20 LEU B CD1 23 ATOM 32239 C CD2 . LEU B 1 20 ? 3.740 -5.138 0.950 1.00 0.00 ? 20 LEU B CD2 23 ATOM 32240 H H . LEU B 1 20 ? 4.325 -3.737 -3.403 1.00 0.00 ? 20 LEU B H 23 ATOM 32241 H HA . LEU B 1 20 ? 1.825 -4.798 -2.587 1.00 0.00 ? 20 LEU B HA 23 ATOM 32242 H HB2 . LEU B 1 20 ? 4.218 -3.993 -1.354 1.00 0.00 ? 20 LEU B HB2 23 ATOM 32243 H HB3 . LEU B 1 20 ? 2.970 -2.976 -0.662 1.00 0.00 ? 20 LEU B HB3 23 ATOM 32244 H HG . LEU B 1 20 ? 1.779 -4.842 0.195 1.00 0.00 ? 20 LEU B HG 23 ATOM 32245 H HD11 . LEU B 1 20 ? 3.207 -6.281 -1.899 1.00 0.00 ? 20 LEU B HD11 23 ATOM 32246 H HD12 . LEU B 1 20 ? 3.162 -7.143 -0.361 1.00 0.00 ? 20 LEU B HD12 23 ATOM 32247 H HD13 . LEU B 1 20 ? 1.659 -6.633 -1.132 1.00 0.00 ? 20 LEU B HD13 23 ATOM 32248 H HD21 . LEU B 1 20 ? 3.892 -4.156 1.369 1.00 0.00 ? 20 LEU B HD21 23 ATOM 32249 H HD22 . LEU B 1 20 ? 3.341 -5.796 1.708 1.00 0.00 ? 20 LEU B HD22 23 ATOM 32250 H HD23 . LEU B 1 20 ? 4.682 -5.528 0.595 1.00 0.00 ? 20 LEU B HD23 23 ATOM 32251 N N . GLN B 1 21 ? 2.062 -1.586 -3.101 1.00 0.00 ? 21 GLN B N 23 ATOM 32252 C CA . GLN B 1 21 ? 1.296 -0.357 -3.259 1.00 0.00 ? 21 GLN B CA 23 ATOM 32253 C C . GLN B 1 21 ? 0.175 -0.557 -4.271 1.00 0.00 ? 21 GLN B C 23 ATOM 32254 O O . GLN B 1 21 ? -0.950 -0.102 -4.065 1.00 0.00 ? 21 GLN B O 23 ATOM 32255 C CB . GLN B 1 21 ? 2.209 0.786 -3.707 1.00 0.00 ? 21 GLN B CB 23 ATOM 32256 C CG . GLN B 1 21 ? 1.463 2.072 -4.025 1.00 0.00 ? 21 GLN B CG 23 ATOM 32257 C CD . GLN B 1 21 ? 1.300 2.296 -5.515 1.00 0.00 ? 21 GLN B CD 23 ATOM 32258 O OE1 . GLN B 1 21 ? 0.192 2.520 -6.004 1.00 0.00 ? 21 GLN B OE1 23 ATOM 32259 N NE2 . GLN B 1 21 ? 2.407 2.238 -6.247 1.00 0.00 ? 21 GLN B NE2 23 ATOM 32260 H H . GLN B 1 21 ? 3.003 -1.602 -3.378 1.00 0.00 ? 21 GLN B H 23 ATOM 32261 H HA . GLN B 1 21 ? 0.862 -0.110 -2.301 1.00 0.00 ? 21 GLN B HA 23 ATOM 32262 H HB2 . GLN B 1 21 ? 2.919 0.993 -2.920 1.00 0.00 ? 21 GLN B HB2 23 ATOM 32263 H HB3 . GLN B 1 21 ? 2.746 0.478 -4.592 1.00 0.00 ? 21 GLN B HB3 23 ATOM 32264 H HG2 . GLN B 1 21 ? 0.482 2.025 -3.576 1.00 0.00 ? 21 GLN B HG2 23 ATOM 32265 H HG3 . GLN B 1 21 ? 2.010 2.904 -3.607 1.00 0.00 ? 21 GLN B HG3 23 ATOM 32266 H HE21 . GLN B 1 21 ? 3.255 2.055 -5.791 1.00 0.00 ? 21 GLN B HE21 23 ATOM 32267 H HE22 . GLN B 1 21 ? 2.331 2.380 -7.214 1.00 0.00 ? 21 GLN B HE22 23 ATOM 32268 N N . LYS B 1 22 ? 0.488 -1.251 -5.362 1.00 0.00 ? 22 LYS B N 23 ATOM 32269 C CA . LYS B 1 22 ? -0.497 -1.520 -6.401 1.00 0.00 ? 22 LYS B CA 23 ATOM 32270 C C . LYS B 1 22 ? -1.664 -2.320 -5.834 1.00 0.00 ? 22 LYS B C 23 ATOM 32271 O O . LYS B 1 22 ? -2.828 -2.004 -6.081 1.00 0.00 ? 22 LYS B O 23 ATOM 32272 C CB . LYS B 1 22 ? 0.146 -2.282 -7.561 1.00 0.00 ? 22 LYS B CB 23 ATOM 32273 C CG . LYS B 1 22 ? -0.836 -2.670 -8.654 1.00 0.00 ? 22 LYS B CG 23 ATOM 32274 C CD . LYS B 1 22 ? -0.518 -4.041 -9.228 1.00 0.00 ? 22 LYS B CD 23 ATOM 32275 C CE . LYS B 1 22 ? -1.478 -5.099 -8.710 1.00 0.00 ? 22 LYS B CE 23 ATOM 32276 N NZ . LYS B 1 22 ? -2.187 -5.796 -9.819 1.00 0.00 ? 22 LYS B NZ 23 ATOM 32277 H H . LYS B 1 22 ? 1.402 -1.594 -5.467 1.00 0.00 ? 22 LYS B H 23 ATOM 32278 H HA . LYS B 1 22 ? -0.867 -0.572 -6.764 1.00 0.00 ? 22 LYS B HA 23 ATOM 32279 H HB2 . LYS B 1 22 ? 0.916 -1.665 -8.000 1.00 0.00 ? 22 LYS B HB2 23 ATOM 32280 H HB3 . LYS B 1 22 ? 0.598 -3.185 -7.176 1.00 0.00 ? 22 LYS B HB3 23 ATOM 32281 H HG2 . LYS B 1 22 ? -1.833 -2.687 -8.239 1.00 0.00 ? 22 LYS B HG2 23 ATOM 32282 H HG3 . LYS B 1 22 ? -0.786 -1.937 -9.446 1.00 0.00 ? 22 LYS B HG3 23 ATOM 32283 H HD2 . LYS B 1 22 ? -0.594 -3.996 -10.304 1.00 0.00 ? 22 LYS B HD2 23 ATOM 32284 H HD3 . LYS B 1 22 ? 0.490 -4.313 -8.948 1.00 0.00 ? 22 LYS B HD3 23 ATOM 32285 H HE2 . LYS B 1 22 ? -0.920 -5.824 -8.139 1.00 0.00 ? 22 LYS B HE2 23 ATOM 32286 H HE3 . LYS B 1 22 ? -2.208 -4.622 -8.071 1.00 0.00 ? 22 LYS B HE3 23 ATOM 32287 H HZ1 . LYS B 1 22 ? -1.498 -6.232 -10.465 1.00 0.00 ? 22 LYS B HZ1 23 ATOM 32288 H HZ2 . LYS B 1 22 ? -2.804 -6.541 -9.437 1.00 0.00 ? 22 LYS B HZ2 23 ATOM 32289 H HZ3 . LYS B 1 22 ? -2.769 -5.120 -10.353 1.00 0.00 ? 22 LYS B HZ3 23 ATOM 32290 N N . GLU B 1 23 ? -1.342 -3.357 -5.066 1.00 0.00 ? 23 GLU B N 23 ATOM 32291 C CA . GLU B 1 23 ? -2.363 -4.200 -4.457 1.00 0.00 ? 23 GLU B CA 23 ATOM 32292 C C . GLU B 1 23 ? -3.312 -3.367 -3.600 1.00 0.00 ? 23 GLU B C 23 ATOM 32293 O O . GLU B 1 23 ? -4.534 -3.529 -3.667 1.00 0.00 ? 23 GLU B O 23 ATOM 32294 C CB . GLU B 1 23 ? -1.711 -5.291 -3.604 1.00 0.00 ? 23 GLU B CB 23 ATOM 32295 C CG . GLU B 1 23 ? -2.358 -6.657 -3.766 1.00 0.00 ? 23 GLU B CG 23 ATOM 32296 C CD . GLU B 1 23 ? -1.753 -7.457 -4.904 1.00 0.00 ? 23 GLU B CD 23 ATOM 32297 O OE1 . GLU B 1 23 ? -1.110 -6.845 -5.783 1.00 0.00 ? 23 GLU B OE1 23 ATOM 32298 O OE2 . GLU B 1 23 ? -1.923 -8.694 -4.916 1.00 0.00 ? 23 GLU B OE2 23 ATOM 32299 H H . GLU B 1 23 ? -0.393 -3.558 -4.903 1.00 0.00 ? 23 GLU B H 23 ATOM 32300 H HA . GLU B 1 23 ? -2.927 -4.665 -5.251 1.00 0.00 ? 23 GLU B HA 23 ATOM 32301 H HB2 . GLU B 1 23 ? -0.670 -5.374 -3.880 1.00 0.00 ? 23 GLU B HB2 23 ATOM 32302 H HB3 . GLU B 1 23 ? -1.778 -5.007 -2.564 1.00 0.00 ? 23 GLU B HB3 23 ATOM 32303 H HG2 . GLU B 1 23 ? -2.230 -7.213 -2.849 1.00 0.00 ? 23 GLU B HG2 23 ATOM 32304 H HG3 . GLU B 1 23 ? -3.411 -6.521 -3.961 1.00 0.00 ? 23 GLU B HG3 23 ATOM 32305 N N . ILE B 1 24 ? -2.746 -2.465 -2.803 1.00 0.00 ? 24 ILE B N 23 ATOM 32306 C CA . ILE B 1 24 ? -3.554 -1.604 -1.944 1.00 0.00 ? 24 ILE B CA 23 ATOM 32307 C C . ILE B 1 24 ? -4.356 -0.614 -2.798 1.00 0.00 ? 24 ILE B C 23 ATOM 32308 O O . ILE B 1 24 ? -5.394 -0.112 -2.373 1.00 0.00 ? 24 ILE B O 23 ATOM 32309 C CB . ILE B 1 24 ? -2.702 -0.857 -0.856 1.00 0.00 ? 24 ILE B CB 23 ATOM 32310 C CG1 . ILE B 1 24 ? -2.395 0.600 -1.233 1.00 0.00 ? 24 ILE B CG1 23 ATOM 32311 C CG2 . ILE B 1 24 ? -1.402 -1.595 -0.571 1.00 0.00 ? 24 ILE B CG2 23 ATOM 32312 C CD1 . ILE B 1 24 ? -3.432 1.574 -0.716 1.00 0.00 ? 24 ILE B CD1 23 ATOM 32313 H H . ILE B 1 24 ? -1.771 -2.374 -2.801 1.00 0.00 ? 24 ILE B H 23 ATOM 32314 H HA . ILE B 1 24 ? -4.258 -2.245 -1.426 1.00 0.00 ? 24 ILE B HA 23 ATOM 32315 H HB . ILE B 1 24 ? -3.277 -0.859 0.059 1.00 0.00 ? 24 ILE B HB 23 ATOM 32316 H HG12 . ILE B 1 24 ? -1.439 0.882 -0.819 1.00 0.00 ? 24 ILE B HG12 23 ATOM 32317 H HG13 . ILE B 1 24 ? -2.359 0.690 -2.309 1.00 0.00 ? 24 ILE B HG13 23 ATOM 32318 H HG21 . ILE B 1 24 ? -1.499 -2.627 -0.873 1.00 0.00 ? 24 ILE B HG21 23 ATOM 32319 H HG22 . ILE B 1 24 ? -0.599 -1.132 -1.123 1.00 0.00 ? 24 ILE B HG22 23 ATOM 32320 H HG23 . ILE B 1 24 ? -1.187 -1.548 0.485 1.00 0.00 ? 24 ILE B HG23 23 ATOM 32321 H HD11 . ILE B 1 24 ? -4.144 1.043 -0.099 1.00 0.00 ? 24 ILE B HD11 23 ATOM 32322 H HD12 . ILE B 1 24 ? -2.946 2.339 -0.129 1.00 0.00 ? 24 ILE B HD12 23 ATOM 32323 H HD13 . ILE B 1 24 ? -3.946 2.028 -1.549 1.00 0.00 ? 24 ILE B HD13 23 ATOM 32324 N N . GLU B 1 25 ? -3.855 -0.343 -4.004 1.00 0.00 ? 25 GLU B N 23 ATOM 32325 C CA . GLU B 1 25 ? -4.516 0.577 -4.922 1.00 0.00 ? 25 GLU B CA 23 ATOM 32326 C C . GLU B 1 25 ? -5.761 -0.066 -5.522 1.00 0.00 ? 25 GLU B C 23 ATOM 32327 O O . GLU B 1 25 ? -6.701 0.623 -5.922 1.00 0.00 ? 25 GLU B O 23 ATOM 32328 C CB . GLU B 1 25 ? -3.556 0.996 -6.037 1.00 0.00 ? 25 GLU B CB 23 ATOM 32329 C CG . GLU B 1 25 ? -3.893 2.344 -6.653 1.00 0.00 ? 25 GLU B CG 23 ATOM 32330 C CD . GLU B 1 25 ? -4.020 2.279 -8.163 1.00 0.00 ? 25 GLU B CD 23 ATOM 32331 O OE1 . GLU B 1 25 ? -5.047 1.762 -8.651 1.00 0.00 ? 25 GLU B OE1 23 ATOM 32332 O OE2 . GLU B 1 25 ? -3.092 2.745 -8.857 1.00 0.00 ? 25 GLU B OE2 23 ATOM 32333 H H . GLU B 1 25 ? -3.022 -0.774 -4.284 1.00 0.00 ? 25 GLU B H 23 ATOM 32334 H HA . GLU B 1 25 ? -4.808 1.452 -4.362 1.00 0.00 ? 25 GLU B HA 23 ATOM 32335 H HB2 . GLU B 1 25 ? -2.555 1.048 -5.635 1.00 0.00 ? 25 GLU B HB2 23 ATOM 32336 H HB3 . GLU B 1 25 ? -3.582 0.251 -6.818 1.00 0.00 ? 25 GLU B HB3 23 ATOM 32337 H HG2 . GLU B 1 25 ? -4.830 2.689 -6.244 1.00 0.00 ? 25 GLU B HG2 23 ATOM 32338 H HG3 . GLU B 1 25 ? -3.111 3.046 -6.402 1.00 0.00 ? 25 GLU B HG3 23 ATOM 32339 N N . ARG B 1 26 ? -5.765 -1.393 -5.578 1.00 0.00 ? 26 ARG B N 23 ATOM 32340 C CA . ARG B 1 26 ? -6.898 -2.126 -6.122 1.00 0.00 ? 26 ARG B CA 23 ATOM 32341 C C . ARG B 1 26 ? -8.030 -2.189 -5.102 1.00 0.00 ? 26 ARG B C 23 ATOM 32342 O O . ARG B 1 26 ? -9.193 -1.948 -5.431 1.00 0.00 ? 26 ARG B O 23 ATOM 32343 C CB . ARG B 1 26 ? -6.475 -3.541 -6.523 1.00 0.00 ? 26 ARG B CB 23 ATOM 32344 C CG . ARG B 1 26 ? -7.249 -4.093 -7.708 1.00 0.00 ? 26 ARG B CG 23 ATOM 32345 C CD . ARG B 1 26 ? -7.151 -5.608 -7.780 1.00 0.00 ? 26 ARG B CD 23 ATOM 32346 N NE . ARG B 1 26 ? -6.919 -6.078 -9.144 1.00 0.00 ? 26 ARG B NE 23 ATOM 32347 C CZ . ARG B 1 26 ? -6.698 -7.350 -9.457 1.00 0.00 ? 26 ARG B CZ 23 ATOM 32348 N NH1 . ARG B 1 26 ? -6.678 -8.276 -8.507 1.00 0.00 ? 26 ARG B NH1 23 ATOM 32349 N NH2 . ARG B 1 26 ? -6.495 -7.699 -10.721 1.00 0.00 ? 26 ARG B NH2 23 ATOM 32350 H H . ARG B 1 26 ? -4.989 -1.889 -5.243 1.00 0.00 ? 26 ARG B H 23 ATOM 32351 H HA . ARG B 1 26 ? -7.246 -1.600 -6.998 1.00 0.00 ? 26 ARG B HA 23 ATOM 32352 H HB2 . ARG B 1 26 ? -5.425 -3.532 -6.777 1.00 0.00 ? 26 ARG B HB2 23 ATOM 32353 H HB3 . ARG B 1 26 ? -6.628 -4.202 -5.681 1.00 0.00 ? 26 ARG B HB3 23 ATOM 32354 H HG2 . ARG B 1 26 ? -8.287 -3.814 -7.610 1.00 0.00 ? 26 ARG B HG2 23 ATOM 32355 H HG3 . ARG B 1 26 ? -6.844 -3.672 -8.617 1.00 0.00 ? 26 ARG B HG3 23 ATOM 32356 H HD2 . ARG B 1 26 ? -6.333 -5.934 -7.154 1.00 0.00 ? 26 ARG B HD2 23 ATOM 32357 H HD3 . ARG B 1 26 ? -8.075 -6.034 -7.415 1.00 0.00 ? 26 ARG B HD3 23 ATOM 32358 H HE . ARG B 1 26 ? -6.928 -5.410 -9.862 1.00 0.00 ? 26 ARG B HE 23 ATOM 32359 H HH11 . ARG B 1 26 ? -6.831 -8.016 -7.554 1.00 0.00 ? 26 ARG B HH11 23 ATOM 32360 H HH12 . ARG B 1 26 ? -6.512 -9.233 -8.745 1.00 0.00 ? 26 ARG B HH12 23 ATOM 32361 H HH21 . ARG B 1 26 ? -6.509 -7.003 -11.439 1.00 0.00 ? 26 ARG B HH21 23 ATOM 32362 H HH22 . ARG B 1 26 ? -6.328 -8.656 -10.955 1.00 0.00 ? 26 ARG B HH22 23 ATOM 32363 N N . HIS B 1 27 ? -7.681 -2.510 -3.859 1.00 0.00 ? 27 HIS B N 23 ATOM 32364 C CA . HIS B 1 27 ? -8.669 -2.601 -2.791 1.00 0.00 ? 27 HIS B CA 23 ATOM 32365 C C . HIS B 1 27 ? -9.158 -1.217 -2.377 1.00 0.00 ? 27 HIS B C 23 ATOM 32366 O O . HIS B 1 27 ? -10.275 -1.068 -1.880 1.00 0.00 ? 27 HIS B O 23 ATOM 32367 C CB . HIS B 1 27 ? -8.081 -3.333 -1.584 1.00 0.00 ? 27 HIS B CB 23 ATOM 32368 C CG . HIS B 1 27 ? -8.651 -4.702 -1.381 1.00 0.00 ? 27 HIS B CG 23 ATOM 32369 N ND1 . HIS B 1 27 ? -9.980 -4.928 -1.084 1.00 0.00 ? 27 HIS B ND1 23 ATOM 32370 C CD2 . HIS B 1 27 ? -8.067 -5.923 -1.432 1.00 0.00 ? 27 HIS B CD2 23 ATOM 32371 C CE1 . HIS B 1 27 ? -10.187 -6.227 -0.963 1.00 0.00 ? 27 HIS B CE1 23 ATOM 32372 N NE2 . HIS B 1 27 ? -9.043 -6.852 -1.170 1.00 0.00 ? 27 HIS B NE2 23 ATOM 32373 H H . HIS B 1 27 ? -6.735 -2.689 -3.656 1.00 0.00 ? 27 HIS B H 23 ATOM 32374 H HA . HIS B 1 27 ? -9.509 -3.165 -3.169 1.00 0.00 ? 27 HIS B HA 23 ATOM 32375 H HB2 . HIS B 1 27 ? -7.014 -3.435 -1.716 1.00 0.00 ? 27 HIS B HB2 23 ATOM 32376 H HB3 . HIS B 1 27 ? -8.275 -2.755 -0.692 1.00 0.00 ? 27 HIS B HB3 23 ATOM 32377 H HD1 . HIS B 1 27 ? -10.668 -4.239 -0.979 1.00 0.00 ? 27 HIS B HD1 23 ATOM 32378 H HD2 . HIS B 1 27 ? -7.027 -6.128 -1.642 1.00 0.00 ? 27 HIS B HD2 23 ATOM 32379 H HE1 . HIS B 1 27 ? -11.133 -6.698 -0.734 1.00 0.00 ? 27 HIS B HE1 23 ATOM 32380 H HE2 . HIS B 1 27 ? -8.914 -7.823 -1.140 1.00 0.00 ? 27 HIS B HE2 23 ATOM 32381 N N . LYS B 1 28 ? -8.324 -0.205 -2.592 1.00 0.00 ? 28 LYS B N 23 ATOM 32382 C CA . LYS B 1 28 ? -8.687 1.163 -2.243 1.00 0.00 ? 28 LYS B CA 23 ATOM 32383 C C . LYS B 1 28 ? -9.569 1.769 -3.328 1.00 0.00 ? 28 LYS B C 23 ATOM 32384 O O . LYS B 1 28 ? -10.413 2.621 -3.054 1.00 0.00 ? 28 LYS B O 23 ATOM 32385 C CB . LYS B 1 28 ? -7.435 2.022 -2.027 1.00 0.00 ? 28 LYS B CB 23 ATOM 32386 C CG . LYS B 1 28 ? -6.751 2.461 -3.310 1.00 0.00 ? 28 LYS B CG 23 ATOM 32387 C CD . LYS B 1 28 ? -7.368 3.735 -3.863 1.00 0.00 ? 28 LYS B CD 23 ATOM 32388 C CE . LYS B 1 28 ? -7.523 3.668 -5.373 1.00 0.00 ? 28 LYS B CE 23 ATOM 32389 N NZ . LYS B 1 28 ? -6.412 4.366 -6.077 1.00 0.00 ? 28 LYS B NZ 23 ATOM 32390 H H . LYS B 1 28 ? -7.451 -0.382 -2.997 1.00 0.00 ? 28 LYS B H 23 ATOM 32391 H HA . LYS B 1 28 ? -9.248 1.127 -1.322 1.00 0.00 ? 28 LYS B HA 23 ATOM 32392 H HB2 . LYS B 1 28 ? -7.716 2.909 -1.478 1.00 0.00 ? 28 LYS B HB2 23 ATOM 32393 H HB3 . LYS B 1 28 ? -6.724 1.459 -1.440 1.00 0.00 ? 28 LYS B HB3 23 ATOM 32394 H HG2 . LYS B 1 28 ? -5.705 2.639 -3.107 1.00 0.00 ? 28 LYS B HG2 23 ATOM 32395 H HG3 . LYS B 1 28 ? -6.848 1.676 -4.042 1.00 0.00 ? 28 LYS B HG3 23 ATOM 32396 H HD2 . LYS B 1 28 ? -8.342 3.874 -3.418 1.00 0.00 ? 28 LYS B HD2 23 ATOM 32397 H HD3 . LYS B 1 28 ? -6.732 4.570 -3.611 1.00 0.00 ? 28 LYS B HD3 23 ATOM 32398 H HE2 . LYS B 1 28 ? -7.534 2.632 -5.677 1.00 0.00 ? 28 LYS B HE2 23 ATOM 32399 H HE3 . LYS B 1 28 ? -8.459 4.132 -5.647 1.00 0.00 ? 28 LYS B HE3 23 ATOM 32400 H HZ1 . LYS B 1 28 ? -5.550 4.339 -5.496 1.00 0.00 ? 28 LYS B HZ1 23 ATOM 32401 H HZ2 . LYS B 1 28 ? -6.218 3.904 -6.988 1.00 0.00 ? 28 LYS B HZ2 23 ATOM 32402 H HZ3 . LYS B 1 28 ? -6.668 5.359 -6.253 1.00 0.00 ? 28 LYS B HZ3 23 ATOM 32403 N N . GLN B 1 29 ? -9.371 1.315 -4.562 1.00 0.00 ? 29 GLN B N 23 ATOM 32404 C CA . GLN B 1 29 ? -10.154 1.804 -5.688 1.00 0.00 ? 29 GLN B CA 23 ATOM 32405 C C . GLN B 1 29 ? -11.589 1.301 -5.595 1.00 0.00 ? 29 GLN B C 23 ATOM 32406 O O . GLN B 1 29 ? -12.535 2.034 -5.888 1.00 0.00 ? 29 GLN B O 23 ATOM 32407 C CB . GLN B 1 29 ? -9.525 1.357 -7.010 1.00 0.00 ? 29 GLN B CB 23 ATOM 32408 C CG . GLN B 1 29 ? -10.378 1.670 -8.228 1.00 0.00 ? 29 GLN B CG 23 ATOM 32409 C CD . GLN B 1 29 ? -9.661 1.381 -9.533 1.00 0.00 ? 29 GLN B CD 23 ATOM 32410 O OE1 . GLN B 1 29 ? -9.641 0.245 -10.005 1.00 0.00 ? 29 GLN B OE1 23 ATOM 32411 N NE2 . GLN B 1 29 ? -9.066 2.412 -10.122 1.00 0.00 ? 29 GLN B NE2 23 ATOM 32412 H H . GLN B 1 29 ? -8.684 0.631 -4.716 1.00 0.00 ? 29 GLN B H 23 ATOM 32413 H HA . GLN B 1 29 ? -10.159 2.883 -5.646 1.00 0.00 ? 29 GLN B HA 23 ATOM 32414 H HB2 . GLN B 1 29 ? -8.573 1.851 -7.128 1.00 0.00 ? 29 GLN B HB2 23 ATOM 32415 H HB3 . GLN B 1 29 ? -9.364 0.289 -6.976 1.00 0.00 ? 29 GLN B HB3 23 ATOM 32416 H HG2 . GLN B 1 29 ? -11.275 1.070 -8.189 1.00 0.00 ? 29 GLN B HG2 23 ATOM 32417 H HG3 . GLN B 1 29 ? -10.646 2.716 -8.206 1.00 0.00 ? 29 GLN B HG3 23 ATOM 32418 H HE21 . GLN B 1 29 ? -9.123 3.289 -9.688 1.00 0.00 ? 29 GLN B HE21 23 ATOM 32419 H HE22 . GLN B 1 29 ? -8.594 2.254 -10.966 1.00 0.00 ? 29 GLN B HE22 23 ATOM 32420 N N . SER B 1 30 ? -11.745 0.047 -5.179 1.00 0.00 ? 30 SER B N 23 ATOM 32421 C CA . SER B 1 30 ? -13.069 -0.549 -5.043 1.00 0.00 ? 30 SER B CA 23 ATOM 32422 C C . SER B 1 30 ? -13.817 0.063 -3.863 1.00 0.00 ? 30 SER B C 23 ATOM 32423 O O . SER B 1 30 ? -15.001 0.388 -3.964 1.00 0.00 ? 30 SER B O 23 ATOM 32424 C CB . SER B 1 30 ? -12.955 -2.063 -4.861 1.00 0.00 ? 30 SER B CB 23 ATOM 32425 O OG . SER B 1 30 ? -11.736 -2.410 -4.226 1.00 0.00 ? 30 SER B OG 23 ATOM 32426 H H . SER B 1 30 ? -10.952 -0.489 -4.958 1.00 0.00 ? 30 SER B H 23 ATOM 32427 H HA . SER B 1 30 ? -13.620 -0.344 -5.949 1.00 0.00 ? 30 SER B HA 23 ATOM 32428 H HB2 . SER B 1 30 ? -13.774 -2.414 -4.252 1.00 0.00 ? 30 SER B HB2 23 ATOM 32429 H HB3 . SER B 1 30 ? -12.991 -2.544 -5.827 1.00 0.00 ? 30 SER B HB3 23 ATOM 32430 H HG . SER B 1 30 ? -11.597 -3.358 -4.292 1.00 0.00 ? 30 SER B HG 23 ATOM 32431 N N . ILE B 1 31 ? -13.118 0.216 -2.742 1.00 0.00 ? 31 ILE B N 23 ATOM 32432 C CA . ILE B 1 31 ? -13.712 0.787 -1.541 1.00 0.00 ? 31 ILE B CA 23 ATOM 32433 C C . ILE B 1 31 ? -13.989 2.279 -1.717 1.00 0.00 ? 31 ILE B C 23 ATOM 32434 O O . ILE B 1 31 ? -14.851 2.844 -1.044 1.00 0.00 ? 31 ILE B O 23 ATOM 32435 C CB . ILE B 1 31 ? -12.802 0.559 -0.316 1.00 0.00 ? 31 ILE B CB 23 ATOM 32436 C CG1 . ILE B 1 31 ? -13.589 0.797 0.994 1.00 0.00 ? 31 ILE B CG1 23 ATOM 32437 C CG2 . ILE B 1 31 ? -11.542 1.418 -0.414 1.00 0.00 ? 31 ILE B CG2 23 ATOM 32438 C CD1 . ILE B 1 31 ? -13.255 2.078 1.738 1.00 0.00 ? 31 ILE B CD1 23 ATOM 32439 H H . ILE B 1 31 ? -12.177 -0.062 -2.723 1.00 0.00 ? 31 ILE B H 23 ATOM 32440 H HA . ILE B 1 31 ? -14.650 0.279 -1.362 1.00 0.00 ? 31 ILE B HA 23 ATOM 32441 H HB . ILE B 1 31 ? -12.486 -0.471 -0.342 1.00 0.00 ? 31 ILE B HB 23 ATOM 32442 H HG12 . ILE B 1 31 ? -14.643 0.824 0.765 1.00 0.00 ? 31 ILE B HG12 23 ATOM 32443 H HG13 . ILE B 1 31 ? -13.400 -0.030 1.664 1.00 0.00 ? 31 ILE B HG13 23 ATOM 32444 H HG21 . ILE B 1 31 ? -11.162 1.382 -1.423 1.00 0.00 ? 31 ILE B HG21 23 ATOM 32445 H HG22 . ILE B 1 31 ? -11.780 2.440 -0.156 1.00 0.00 ? 31 ILE B HG22 23 ATOM 32446 H HG23 . ILE B 1 31 ? -10.794 1.041 0.268 1.00 0.00 ? 31 ILE B HG23 23 ATOM 32447 H HD11 . ILE B 1 31 ? -13.400 2.924 1.084 1.00 0.00 ? 31 ILE B HD11 23 ATOM 32448 H HD12 . ILE B 1 31 ? -13.900 2.171 2.600 1.00 0.00 ? 31 ILE B HD12 23 ATOM 32449 H HD13 . ILE B 1 31 ? -12.224 2.045 2.063 1.00 0.00 ? 31 ILE B HD13 23 ATOM 32450 N N . LYS B 1 32 ? -13.257 2.910 -2.633 1.00 0.00 ? 32 LYS B N 23 ATOM 32451 C CA . LYS B 1 32 ? -13.433 4.333 -2.901 1.00 0.00 ? 32 LYS B CA 23 ATOM 32452 C C . LYS B 1 32 ? -14.661 4.568 -3.773 1.00 0.00 ? 32 LYS B C 23 ATOM 32453 O O . LYS B 1 32 ? -15.348 5.581 -3.639 1.00 0.00 ? 32 LYS B O 23 ATOM 32454 C CB . LYS B 1 32 ? -12.193 4.908 -3.588 1.00 0.00 ? 32 LYS B CB 23 ATOM 32455 C CG . LYS B 1 32 ? -11.246 5.622 -2.637 1.00 0.00 ? 32 LYS B CG 23 ATOM 32456 C CD . LYS B 1 32 ? -10.853 4.732 -1.470 1.00 0.00 ? 32 LYS B CD 23 ATOM 32457 C CE . LYS B 1 32 ? -10.856 5.501 -0.158 1.00 0.00 ? 32 LYS B CE 23 ATOM 32458 N NZ . LYS B 1 32 ? -9.646 5.209 0.659 1.00 0.00 ? 32 LYS B NZ 23 ATOM 32459 H H . LYS B 1 32 ? -12.589 2.406 -3.145 1.00 0.00 ? 32 LYS B H 23 ATOM 32460 H HA . LYS B 1 32 ? -13.577 4.834 -1.956 1.00 0.00 ? 32 LYS B HA 23 ATOM 32461 H HB2 . LYS B 1 32 ? -11.653 4.103 -4.064 1.00 0.00 ? 32 LYS B HB2 23 ATOM 32462 H HB3 . LYS B 1 32 ? -12.508 5.612 -4.343 1.00 0.00 ? 32 LYS B HB3 23 ATOM 32463 H HG2 . LYS B 1 32 ? -10.354 5.905 -3.177 1.00 0.00 ? 32 LYS B HG2 23 ATOM 32464 H HG3 . LYS B 1 32 ? -11.734 6.507 -2.257 1.00 0.00 ? 32 LYS B HG3 23 ATOM 32465 H HD2 . LYS B 1 32 ? -11.557 3.917 -1.399 1.00 0.00 ? 32 LYS B HD2 23 ATOM 32466 H HD3 . LYS B 1 32 ? -9.862 4.341 -1.646 1.00 0.00 ? 32 LYS B HD3 23 ATOM 32467 H HE2 . LYS B 1 32 ? -10.886 6.557 -0.375 1.00 0.00 ? 32 LYS B HE2 23 ATOM 32468 H HE3 . LYS B 1 32 ? -11.735 5.224 0.405 1.00 0.00 ? 32 LYS B HE3 23 ATOM 32469 H HZ1 . LYS B 1 32 ? -8.787 5.436 0.119 1.00 0.00 ? 32 LYS B HZ1 23 ATOM 32470 H HZ2 . LYS B 1 32 ? -9.656 5.780 1.528 1.00 0.00 ? 32 LYS B HZ2 23 ATOM 32471 H HZ3 . LYS B 1 32 ? -9.623 4.203 0.919 1.00 0.00 ? 32 LYS B HZ3 23 ATOM 32472 N N . LYS B 1 33 ? -14.933 3.621 -4.666 1.00 0.00 ? 33 LYS B N 23 ATOM 32473 C CA . LYS B 1 33 ? -16.081 3.721 -5.559 1.00 0.00 ? 33 LYS B CA 23 ATOM 32474 C C . LYS B 1 33 ? -17.380 3.517 -4.788 1.00 0.00 ? 33 LYS B C 23 ATOM 32475 O O . LYS B 1 33 ? -18.384 4.176 -5.057 1.00 0.00 ? 33 LYS B O 23 ATOM 32476 C CB . LYS B 1 33 ? -15.971 2.689 -6.682 1.00 0.00 ? 33 LYS B CB 23 ATOM 32477 C CG . LYS B 1 33 ? -14.980 3.072 -7.768 1.00 0.00 ? 33 LYS B CG 23 ATOM 32478 C CD . LYS B 1 33 ? -15.638 3.104 -9.137 1.00 0.00 ? 33 LYS B CD 23 ATOM 32479 C CE . LYS B 1 33 ? -14.607 3.219 -10.248 1.00 0.00 ? 33 LYS B CE 23 ATOM 32480 N NZ . LYS B 1 33 ? -13.604 4.284 -9.968 1.00 0.00 ? 33 LYS B NZ 23 ATOM 32481 H H . LYS B 1 33 ? -14.350 2.836 -4.724 1.00 0.00 ? 33 LYS B H 23 ATOM 32482 H HA . LYS B 1 33 ? -16.082 4.711 -5.989 1.00 0.00 ? 33 LYS B HA 23 ATOM 32483 H HB2 . LYS B 1 33 ? -15.660 1.745 -6.258 1.00 0.00 ? 33 LYS B HB2 23 ATOM 32484 H HB3 . LYS B 1 33 ? -16.943 2.566 -7.138 1.00 0.00 ? 33 LYS B HB3 23 ATOM 32485 H HG2 . LYS B 1 33 ? -14.582 4.052 -7.548 1.00 0.00 ? 33 LYS B HG2 23 ATOM 32486 H HG3 . LYS B 1 33 ? -14.176 2.350 -7.779 1.00 0.00 ? 33 LYS B HG3 23 ATOM 32487 H HD2 . LYS B 1 33 ? -16.201 2.193 -9.277 1.00 0.00 ? 33 LYS B HD2 23 ATOM 32488 H HD3 . LYS B 1 33 ? -16.304 3.953 -9.187 1.00 0.00 ? 33 LYS B HD3 23 ATOM 32489 H HE2 . LYS B 1 33 ? -14.094 2.273 -10.346 1.00 0.00 ? 33 LYS B HE2 23 ATOM 32490 H HE3 . LYS B 1 33 ? -15.116 3.448 -11.173 1.00 0.00 ? 33 LYS B HE3 23 ATOM 32491 H HZ1 . LYS B 1 33 ? -13.932 4.887 -9.187 1.00 0.00 ? 33 LYS B HZ1 23 ATOM 32492 H HZ2 . LYS B 1 33 ? -12.693 3.858 -9.705 1.00 0.00 ? 33 LYS B HZ2 23 ATOM 32493 H HZ3 . LYS B 1 33 ? -13.466 4.876 -10.812 1.00 0.00 ? 33 LYS B HZ3 23 ATOM 32494 N N . LEU B 1 34 ? -17.352 2.601 -3.825 1.00 0.00 ? 34 LEU B N 23 ATOM 32495 C CA . LEU B 1 34 ? -18.527 2.312 -3.013 1.00 0.00 ? 34 LEU B CA 23 ATOM 32496 C C . LEU B 1 34 ? -18.841 3.473 -2.076 1.00 0.00 ? 34 LEU B C 23 ATOM 32497 O O . LEU B 1 34 ? -20.002 3.838 -1.893 1.00 0.00 ? 34 LEU B O 23 ATOM 32498 C CB . LEU B 1 34 ? -18.311 1.031 -2.204 1.00 0.00 ? 34 LEU B CB 23 ATOM 32499 C CG . LEU B 1 34 ? -18.976 -0.219 -2.781 1.00 0.00 ? 34 LEU B CG 23 ATOM 32500 C CD1 . LEU B 1 34 ? -18.147 -1.456 -2.471 1.00 0.00 ? 34 LEU B CD1 23 ATOM 32501 C CD2 . LEU B 1 34 ? -20.388 -0.371 -2.236 1.00 0.00 ? 34 LEU B CD2 23 ATOM 32502 H H . LEU B 1 34 ? -16.521 2.110 -3.657 1.00 0.00 ? 34 LEU B H 23 ATOM 32503 H HA . LEU B 1 34 ? -19.363 2.167 -3.680 1.00 0.00 ? 34 LEU B HA 23 ATOM 32504 H HB2 . LEU B 1 34 ? -17.249 0.850 -2.133 1.00 0.00 ? 34 LEU B HB2 23 ATOM 32505 H HB3 . LEU B 1 34 ? -18.698 1.190 -1.208 1.00 0.00 ? 34 LEU B HB3 23 ATOM 32506 H HG . LEU B 1 34 ? -19.041 -0.122 -3.855 1.00 0.00 ? 34 LEU B HG 23 ATOM 32507 H HD11 . LEU B 1 34 ? -17.707 -1.358 -1.490 1.00 0.00 ? 34 LEU B HD11 23 ATOM 32508 H HD12 . LEU B 1 34 ? -18.781 -2.330 -2.497 1.00 0.00 ? 34 LEU B HD12 23 ATOM 32509 H HD13 . LEU B 1 34 ? -17.363 -1.558 -3.209 1.00 0.00 ? 34 LEU B HD13 23 ATOM 32510 H HD21 . LEU B 1 34 ? -20.368 -0.297 -1.158 1.00 0.00 ? 34 LEU B HD21 23 ATOM 32511 H HD22 . LEU B 1 34 ? -21.016 0.410 -2.639 1.00 0.00 ? 34 LEU B HD22 23 ATOM 32512 H HD23 . LEU B 1 34 ? -20.783 -1.335 -2.521 1.00 0.00 ? 34 LEU B HD23 23 ATOM 32513 N N . LYS B 1 35 ? -17.800 4.053 -1.485 1.00 0.00 ? 35 LYS B N 23 ATOM 32514 C CA . LYS B 1 35 ? -17.972 5.175 -0.569 1.00 0.00 ? 35 LYS B CA 23 ATOM 32515 C C . LYS B 1 35 ? -18.310 6.453 -1.331 1.00 0.00 ? 35 LYS B C 23 ATOM 32516 O O . LYS B 1 35 ? -18.923 7.369 -0.783 1.00 0.00 ? 35 LYS B O 23 ATOM 32517 C CB . LYS B 1 35 ? -16.705 5.381 0.265 1.00 0.00 ? 35 LYS B CB 23 ATOM 32518 C CG . LYS B 1 35 ? -15.546 5.971 -0.522 1.00 0.00 ? 35 LYS B CG 23 ATOM 32519 C CD . LYS B 1 35 ? -15.163 7.348 -0.002 1.00 0.00 ? 35 LYS B CD 23 ATOM 32520 C CE . LYS B 1 35 ? -13.873 7.843 -0.634 1.00 0.00 ? 35 LYS B CE 23 ATOM 32521 N NZ . LYS B 1 35 ? -14.127 8.859 -1.693 1.00 0.00 ? 35 LYS B NZ 23 ATOM 32522 H H . LYS B 1 35 ? -16.896 3.720 -1.671 1.00 0.00 ? 35 LYS B H 23 ATOM 32523 H HA . LYS B 1 35 ? -18.792 4.938 0.092 1.00 0.00 ? 35 LYS B HA 23 ATOM 32524 H HB2 . LYS B 1 35 ? -16.932 6.048 1.084 1.00 0.00 ? 35 LYS B HB2 23 ATOM 32525 H HB3 . LYS B 1 35 ? -16.392 4.428 0.664 1.00 0.00 ? 35 LYS B HB3 23 ATOM 32526 H HG2 . LYS B 1 35 ? -14.692 5.315 -0.432 1.00 0.00 ? 35 LYS B HG2 23 ATOM 32527 H HG3 . LYS B 1 35 ? -15.832 6.054 -1.560 1.00 0.00 ? 35 LYS B HG3 23 ATOM 32528 H HD2 . LYS B 1 35 ? -15.956 8.042 -0.235 1.00 0.00 ? 35 LYS B HD2 23 ATOM 32529 H HD3 . LYS B 1 35 ? -15.032 7.294 1.069 1.00 0.00 ? 35 LYS B HD3 23 ATOM 32530 H HE2 . LYS B 1 35 ? -13.257 8.286 0.135 1.00 0.00 ? 35 LYS B HE2 23 ATOM 32531 H HE3 . LYS B 1 35 ? -13.354 7.002 -1.071 1.00 0.00 ? 35 LYS B HE3 23 ATOM 32532 H HZ1 . LYS B 1 35 ? -15.048 9.316 -1.536 1.00 0.00 ? 35 LYS B HZ1 23 ATOM 32533 H HZ2 . LYS B 1 35 ? -13.384 9.586 -1.677 1.00 0.00 ? 35 LYS B HZ2 23 ATOM 32534 H HZ3 . LYS B 1 35 ? -14.133 8.406 -2.628 1.00 0.00 ? 35 LYS B HZ3 23 ATOM 32535 N N . GLN B 1 36 ? -17.909 6.507 -2.597 1.00 0.00 ? 36 GLN B N 23 ATOM 32536 C CA . GLN B 1 36 ? -18.172 7.672 -3.432 1.00 0.00 ? 36 GLN B CA 23 ATOM 32537 C C . GLN B 1 36 ? -19.605 7.653 -3.951 1.00 0.00 ? 36 GLN B C 23 ATOM 32538 O O . GLN B 1 36 ? -20.189 8.701 -4.230 1.00 0.00 ? 36 GLN B O 23 ATOM 32539 C CB . GLN B 1 36 ? -17.192 7.714 -4.607 1.00 0.00 ? 36 GLN B CB 23 ATOM 32540 C CG . GLN B 1 36 ? -17.256 9.006 -5.406 1.00 0.00 ? 36 GLN B CG 23 ATOM 32541 C CD . GLN B 1 36 ? -16.622 8.875 -6.777 1.00 0.00 ? 36 GLN B CD 23 ATOM 32542 O OE1 . GLN B 1 36 ? -17.243 9.189 -7.793 1.00 0.00 ? 36 GLN B OE1 23 ATOM 32543 N NE2 . GLN B 1 36 ? -15.380 8.409 -6.813 1.00 0.00 ? 36 GLN B NE2 23 ATOM 32544 H H . GLN B 1 36 ? -17.425 5.745 -2.977 1.00 0.00 ? 36 GLN B H 23 ATOM 32545 H HA . GLN B 1 36 ? -18.031 8.554 -2.826 1.00 0.00 ? 36 GLN B HA 23 ATOM 32546 H HB2 . GLN B 1 36 ? -16.187 7.599 -4.228 1.00 0.00 ? 36 GLN B HB2 23 ATOM 32547 H HB3 . GLN B 1 36 ? -17.412 6.893 -5.273 1.00 0.00 ? 36 GLN B HB3 23 ATOM 32548 H HG2 . GLN B 1 36 ? -18.292 9.286 -5.530 1.00 0.00 ? 36 GLN B HG2 23 ATOM 32549 H HG3 . GLN B 1 36 ? -16.739 9.779 -4.857 1.00 0.00 ? 36 GLN B HG3 23 ATOM 32550 H HE21 . GLN B 1 36 ? -14.948 8.178 -5.963 1.00 0.00 ? 36 GLN B HE21 23 ATOM 32551 H HE22 . GLN B 1 36 ? -14.945 8.314 -7.686 1.00 0.00 ? 36 GLN B HE22 23 ATOM 32552 N N . SER B 1 37 ? -20.169 6.456 -4.075 1.00 0.00 ? 37 SER B N 23 ATOM 32553 C CA . SER B 1 37 ? -21.536 6.301 -4.558 1.00 0.00 ? 37 SER B CA 23 ATOM 32554 C C . SER B 1 37 ? -22.540 6.715 -3.489 1.00 0.00 ? 37 SER B C 23 ATOM 32555 O O . SER B 1 37 ? -23.659 7.124 -3.798 1.00 0.00 ? 37 SER B O 23 ATOM 32556 C CB . SER B 1 37 ? -21.789 4.852 -4.979 1.00 0.00 ? 37 SER B CB 23 ATOM 32557 O OG . SER B 1 37 ? -22.594 4.793 -6.144 1.00 0.00 ? 37 SER B OG 23 ATOM 32558 H H . SER B 1 37 ? -19.653 5.657 -3.836 1.00 0.00 ? 37 SER B H 23 ATOM 32559 H HA . SER B 1 37 ? -21.658 6.943 -5.418 1.00 0.00 ? 37 SER B HA 23 ATOM 32560 H HB2 . SER B 1 37 ? -20.846 4.369 -5.184 1.00 0.00 ? 37 SER B HB2 23 ATOM 32561 H HB3 . SER B 1 37 ? -22.294 4.330 -4.179 1.00 0.00 ? 37 SER B HB3 23 ATOM 32562 H HG . SER B 1 37 ? -22.175 5.292 -6.849 1.00 0.00 ? 37 SER B HG 23 ATOM 32563 N N . GLU B 1 38 ? -22.134 6.608 -2.228 1.00 0.00 ? 38 GLU B N 23 ATOM 32564 C CA . GLU B 1 38 ? -22.998 6.972 -1.111 1.00 0.00 ? 38 GLU B CA 23 ATOM 32565 C C . GLU B 1 38 ? -23.162 8.486 -1.022 1.00 0.00 ? 38 GLU B C 23 ATOM 32566 O O . GLU B 1 38 ? -24.154 8.982 -0.486 1.00 0.00 ? 38 GLU B O 23 ATOM 32567 C CB . GLU B 1 38 ? -22.429 6.430 0.202 1.00 0.00 ? 38 GLU B CB 23 ATOM 32568 C CG . GLU B 1 38 ? -23.436 6.415 1.340 1.00 0.00 ? 38 GLU B CG 23 ATOM 32569 C CD . GLU B 1 38 ? -22.809 6.750 2.678 1.00 0.00 ? 38 GLU B CD 23 ATOM 32570 O OE1 . GLU B 1 38 ? -21.905 6.006 3.113 1.00 0.00 ? 38 GLU B OE1 23 ATOM 32571 O OE2 . GLU B 1 38 ? -23.222 7.757 3.292 1.00 0.00 ? 38 GLU B OE2 23 ATOM 32572 H H . GLU B 1 38 ? -21.230 6.275 -2.043 1.00 0.00 ? 38 GLU B H 23 ATOM 32573 H HA . GLU B 1 38 ? -23.967 6.527 -1.284 1.00 0.00 ? 38 GLU B HA 23 ATOM 32574 H HB2 . GLU B 1 38 ? -22.084 5.420 0.041 1.00 0.00 ? 38 GLU B HB2 23 ATOM 32575 H HB3 . GLU B 1 38 ? -21.592 7.046 0.498 1.00 0.00 ? 38 GLU B HB3 23 ATOM 32576 H HG2 . GLU B 1 38 ? -24.209 7.140 1.131 1.00 0.00 ? 38 GLU B HG2 23 ATOM 32577 H HG3 . GLU B 1 38 ? -23.876 5.430 1.401 1.00 0.00 ? 38 GLU B HG3 23 ATOM 32578 N N . ASP B 1 39 ? -22.184 9.216 -1.550 1.00 0.00 ? 39 ASP B N 23 ATOM 32579 C CA . ASP B 1 39 ? -22.221 10.674 -1.529 1.00 0.00 ? 39 ASP B CA 23 ATOM 32580 C C . ASP B 1 39 ? -21.779 11.249 -2.871 1.00 0.00 ? 39 ASP B C 23 ATOM 32581 O O . ASP B 1 39 ? -21.226 12.347 -2.935 1.00 0.00 ? 39 ASP B O 23 ATOM 32582 C CB . ASP B 1 39 ? -21.326 11.211 -0.412 1.00 0.00 ? 39 ASP B CB 23 ATOM 32583 C CG . ASP B 1 39 ? -19.871 10.826 -0.601 1.00 0.00 ? 39 ASP B CG 23 ATOM 32584 O OD1 . ASP B 1 39 ? -19.136 11.592 -1.260 1.00 0.00 ? 39 ASP B OD1 23 ATOM 32585 O OD2 . ASP B 1 39 ? -19.468 9.759 -0.092 1.00 0.00 ? 39 ASP B OD2 23 ATOM 32586 H H . ASP B 1 39 ? -21.420 8.764 -1.963 1.00 0.00 ? 39 ASP B H 23 ATOM 32587 H HA . ASP B 1 39 ? -23.240 10.977 -1.339 1.00 0.00 ? 39 ASP B HA 23 ATOM 32588 H HB2 . ASP B 1 39 ? -21.393 12.288 -0.391 1.00 0.00 ? 39 ASP B HB2 23 ATOM 32589 H HB3 . ASP B 1 39 ? -21.663 10.815 0.534 1.00 0.00 ? 39 ASP B HB3 23 ATOM 32590 N N . ASP B 1 40 ? -22.027 10.500 -3.941 1.00 0.00 ? 40 ASP B N 23 ATOM 32591 C CA . ASP B 1 40 ? -21.654 10.936 -5.281 1.00 0.00 ? 40 ASP B CA 23 ATOM 32592 C C . ASP B 1 40 ? -20.177 11.310 -5.340 1.00 0.00 ? 40 ASP B C 23 ATOM 32593 O O . ASP B 1 40 ? -19.453 11.176 -4.354 1.00 0.00 ? 40 ASP B O 23 ATOM 32594 C CB . ASP B 1 40 ? -22.512 12.128 -5.710 1.00 0.00 ? 40 ASP B CB 23 ATOM 32595 C CG . ASP B 1 40 ? -23.064 11.968 -7.113 1.00 0.00 ? 40 ASP B CG 23 ATOM 32596 O OD1 . ASP B 1 40 ? -23.878 11.046 -7.329 1.00 0.00 ? 40 ASP B OD1 23 ATOM 32597 O OD2 . ASP B 1 40 ? -22.683 12.765 -7.996 1.00 0.00 ? 40 ASP B OD2 23 ATOM 32598 H H . ASP B 1 40 ? -22.471 9.634 -3.825 1.00 0.00 ? 40 ASP B H 23 ATOM 32599 H HA . ASP B 1 40 ? -21.833 10.114 -5.959 1.00 0.00 ? 40 ASP B HA 23 ATOM 32600 H HB2 . ASP B 1 40 ? -23.341 12.232 -5.027 1.00 0.00 ? 40 ASP B HB2 23 ATOM 32601 H HB3 . ASP B 1 40 ? -21.911 13.026 -5.679 1.00 0.00 ? 40 ASP B HB3 23 ATOM 32602 N N . ASP B 1 41 ? -19.736 11.780 -6.502 1.00 0.00 ? 41 ASP B N 23 ATOM 32603 C CA . ASP B 1 41 ? -18.345 12.173 -6.689 1.00 0.00 ? 41 ASP B CA 23 ATOM 32604 C C . ASP B 1 41 ? -17.912 13.168 -5.618 1.00 0.00 ? 41 ASP B C 23 ATOM 32605 O O . ASP B 1 41 ? -18.733 14.034 -5.249 1.00 0.00 ? 41 ASP B O 23 ATOM 32606 C CB . ASP B 1 41 ? -18.147 12.782 -8.078 1.00 0.00 ? 41 ASP B CB 23 ATOM 32607 C CG . ASP B 1 41 ? -16.765 12.510 -8.639 1.00 0.00 ? 41 ASP B CG 23 ATOM 32608 O OD1 . ASP B 1 41 ? -16.429 11.324 -8.838 1.00 0.00 ? 41 ASP B OD1 23 ATOM 32609 O OD2 . ASP B 1 41 ? -16.019 13.482 -8.878 1.00 0.00 ? 41 ASP B OD2 23 ATOM 32610 O OXT . ASP B 1 41 ? -16.755 13.073 -5.156 1.00 0.00 ? 41 ASP B OXT 23 ATOM 32611 H H . ASP B 1 41 ? -20.362 11.863 -7.252 1.00 0.00 ? 41 ASP B H 23 ATOM 32612 H HA . ASP B 1 41 ? -17.735 11.286 -6.607 1.00 0.00 ? 41 ASP B HA 23 ATOM 32613 H HB2 . ASP B 1 41 ? -18.878 12.365 -8.755 1.00 0.00 ? 41 ASP B HB2 23 ATOM 32614 H HB3 . ASP B 1 41 ? -18.288 13.852 -8.019 1.00 0.00 ? 41 ASP B HB3 23 ATOM 32615 N N . ALA A 1 1 ? -34.155 -9.223 -2.759 1.00 0.00 ? 1 ALA A N 24 ATOM 32616 C CA . ALA A 1 1 ? -32.841 -8.603 -2.454 1.00 0.00 ? 1 ALA A CA 24 ATOM 32617 C C . ALA A 1 1 ? -31.954 -9.560 -1.663 1.00 0.00 ? 1 ALA A C 24 ATOM 32618 O O . ALA A 1 1 ? -32.427 -10.566 -1.134 1.00 0.00 ? 1 ALA A O 24 ATOM 32619 C CB . ALA A 1 1 ? -33.036 -7.307 -1.681 1.00 0.00 ? 1 ALA A CB 24 ATOM 32620 H H1 . ALA A 1 1 ? -34.509 -9.663 -1.885 1.00 0.00 ? 1 ALA A H1 24 ATOM 32621 H H2 . ALA A 1 1 ? -34.793 -8.468 -3.085 1.00 0.00 ? 1 ALA A H2 24 ATOM 32622 H H3 . ALA A 1 1 ? -34.006 -9.935 -3.502 1.00 0.00 ? 1 ALA A H3 24 ATOM 32623 H HA . ALA A 1 1 ? -32.351 -8.366 -3.387 1.00 0.00 ? 1 ALA A HA 24 ATOM 32624 H HB1 . ALA A 1 1 ? -32.304 -7.247 -0.889 1.00 0.00 ? 1 ALA A HB1 24 ATOM 32625 H HB2 . ALA A 1 1 ? -34.028 -7.287 -1.257 1.00 0.00 ? 1 ALA A HB2 24 ATOM 32626 H HB3 . ALA A 1 1 ? -32.911 -6.468 -2.350 1.00 0.00 ? 1 ALA A HB3 24 ATOM 32627 N N . LEU A 1 2 ? -30.666 -9.240 -1.589 1.00 0.00 ? 2 LEU A N 24 ATOM 32628 C CA . LEU A 1 2 ? -29.714 -10.071 -0.862 1.00 0.00 ? 2 LEU A CA 24 ATOM 32629 C C . LEU A 1 2 ? -28.332 -9.426 -0.847 1.00 0.00 ? 2 LEU A C 24 ATOM 32630 O O . LEU A 1 2 ? -27.314 -10.114 -0.930 1.00 0.00 ? 2 LEU A O 24 ATOM 32631 C CB . LEU A 1 2 ? -29.634 -11.462 -1.493 1.00 0.00 ? 2 LEU A CB 24 ATOM 32632 C CG . LEU A 1 2 ? -28.711 -12.448 -0.773 1.00 0.00 ? 2 LEU A CG 24 ATOM 32633 C CD1 . LEU A 1 2 ? -29.468 -13.712 -0.399 1.00 0.00 ? 2 LEU A CD1 24 ATOM 32634 C CD2 . LEU A 1 2 ? -27.508 -12.782 -1.643 1.00 0.00 ? 2 LEU A CD2 24 ATOM 32635 H H . LEU A 1 2 ? -30.350 -8.425 -2.031 1.00 0.00 ? 2 LEU A H 24 ATOM 32636 H HA . LEU A 1 2 ? -30.064 -10.166 0.155 1.00 0.00 ? 2 LEU A HA 24 ATOM 32637 H HB2 . LEU A 1 2 ? -30.628 -11.883 -1.514 1.00 0.00 ? 2 LEU A HB2 24 ATOM 32638 H HB3 . LEU A 1 2 ? -29.285 -11.354 -2.509 1.00 0.00 ? 2 LEU A HB3 24 ATOM 32639 H HG . LEU A 1 2 ? -28.349 -11.993 0.138 1.00 0.00 ? 2 LEU A HG 24 ATOM 32640 H HD11 . LEU A 1 2 ? -30.469 -13.454 -0.089 1.00 0.00 ? 2 LEU A HD11 24 ATOM 32641 H HD12 . LEU A 1 2 ? -29.514 -14.371 -1.254 1.00 0.00 ? 2 LEU A HD12 24 ATOM 32642 H HD13 . LEU A 1 2 ? -28.958 -14.210 0.412 1.00 0.00 ? 2 LEU A HD13 24 ATOM 32643 H HD21 . LEU A 1 2 ? -27.749 -12.595 -2.680 1.00 0.00 ? 2 LEU A HD21 24 ATOM 32644 H HD22 . LEU A 1 2 ? -26.670 -12.166 -1.352 1.00 0.00 ? 2 LEU A HD22 24 ATOM 32645 H HD23 . LEU A 1 2 ? -27.250 -13.823 -1.516 1.00 0.00 ? 2 LEU A HD23 24 ATOM 32646 N N . LYS A 1 3 ? -28.302 -8.103 -0.741 1.00 0.00 ? 3 LYS A N 24 ATOM 32647 C CA . LYS A 1 3 ? -27.045 -7.366 -0.716 1.00 0.00 ? 3 LYS A CA 24 ATOM 32648 C C . LYS A 1 3 ? -26.656 -6.998 0.712 1.00 0.00 ? 3 LYS A C 24 ATOM 32649 O O . LYS A 1 3 ? -26.932 -5.893 1.177 1.00 0.00 ? 3 LYS A O 24 ATOM 32650 C CB . LYS A 1 3 ? -27.152 -6.101 -1.570 1.00 0.00 ? 3 LYS A CB 24 ATOM 32651 C CG . LYS A 1 3 ? -26.345 -6.168 -2.857 1.00 0.00 ? 3 LYS A CG 24 ATOM 32652 C CD . LYS A 1 3 ? -27.140 -6.814 -3.980 1.00 0.00 ? 3 LYS A CD 24 ATOM 32653 C CE . LYS A 1 3 ? -26.810 -8.292 -4.118 1.00 0.00 ? 3 LYS A CE 24 ATOM 32654 N NZ . LYS A 1 3 ? -25.838 -8.543 -5.218 1.00 0.00 ? 3 LYS A NZ 24 ATOM 32655 H H . LYS A 1 3 ? -29.147 -7.609 -0.679 1.00 0.00 ? 3 LYS A H 24 ATOM 32656 H HA . LYS A 1 3 ? -26.280 -8.005 -1.131 1.00 0.00 ? 3 LYS A HA 24 ATOM 32657 H HB2 . LYS A 1 3 ? -28.188 -5.941 -1.828 1.00 0.00 ? 3 LYS A HB2 24 ATOM 32658 H HB3 . LYS A 1 3 ? -26.798 -5.259 -0.992 1.00 0.00 ? 3 LYS A HB3 24 ATOM 32659 H HG2 . LYS A 1 3 ? -26.073 -5.165 -3.153 1.00 0.00 ? 3 LYS A HG2 24 ATOM 32660 H HG3 . LYS A 1 3 ? -25.451 -6.748 -2.681 1.00 0.00 ? 3 LYS A HG3 24 ATOM 32661 H HD2 . LYS A 1 3 ? -28.194 -6.710 -3.768 1.00 0.00 ? 3 LYS A HD2 24 ATOM 32662 H HD3 . LYS A 1 3 ? -26.906 -6.313 -4.908 1.00 0.00 ? 3 LYS A HD3 24 ATOM 32663 H HE2 . LYS A 1 3 ? -26.386 -8.640 -3.189 1.00 0.00 ? 3 LYS A HE2 24 ATOM 32664 H HE3 . LYS A 1 3 ? -27.721 -8.833 -4.323 1.00 0.00 ? 3 LYS A HE3 24 ATOM 32665 H HZ1 . LYS A 1 3 ? -24.995 -7.947 -5.093 1.00 0.00 ? 3 LYS A HZ1 24 ATOM 32666 H HZ2 . LYS A 1 3 ? -25.547 -9.542 -5.216 1.00 0.00 ? 3 LYS A HZ2 24 ATOM 32667 H HZ3 . LYS A 1 3 ? -26.272 -8.321 -6.136 1.00 0.00 ? 3 LYS A HZ3 24 ATOM 32668 N N . LYS A 1 4 ? -26.015 -7.934 1.403 1.00 0.00 ? 4 LYS A N 24 ATOM 32669 C CA . LYS A 1 4 ? -25.586 -7.710 2.780 1.00 0.00 ? 4 LYS A CA 24 ATOM 32670 C C . LYS A 1 4 ? -24.091 -7.970 2.939 1.00 0.00 ? 4 LYS A C 24 ATOM 32671 O O . LYS A 1 4 ? -23.405 -7.264 3.678 1.00 0.00 ? 4 LYS A O 24 ATOM 32672 C CB . LYS A 1 4 ? -26.376 -8.606 3.734 1.00 0.00 ? 4 LYS A CB 24 ATOM 32673 C CG . LYS A 1 4 ? -26.774 -7.917 5.028 1.00 0.00 ? 4 LYS A CG 24 ATOM 32674 C CD . LYS A 1 4 ? -26.948 -8.914 6.162 1.00 0.00 ? 4 LYS A CD 24 ATOM 32675 C CE . LYS A 1 4 ? -25.723 -8.956 7.060 1.00 0.00 ? 4 LYS A CE 24 ATOM 32676 N NZ . LYS A 1 4 ? -25.420 -10.338 7.523 1.00 0.00 ? 4 LYS A NZ 24 ATOM 32677 H H . LYS A 1 4 ? -25.826 -8.796 0.977 1.00 0.00 ? 4 LYS A H 24 ATOM 32678 H HA . LYS A 1 4 ? -25.787 -6.677 3.023 1.00 0.00 ? 4 LYS A HA 24 ATOM 32679 H HB2 . LYS A 1 4 ? -27.277 -8.938 3.237 1.00 0.00 ? 4 LYS A HB2 24 ATOM 32680 H HB3 . LYS A 1 4 ? -25.774 -9.469 3.981 1.00 0.00 ? 4 LYS A HB3 24 ATOM 32681 H HG2 . LYS A 1 4 ? -26.004 -7.210 5.300 1.00 0.00 ? 4 LYS A HG2 24 ATOM 32682 H HG3 . LYS A 1 4 ? -27.707 -7.394 4.874 1.00 0.00 ? 4 LYS A HG3 24 ATOM 32683 H HD2 . LYS A 1 4 ? -27.806 -8.628 6.752 1.00 0.00 ? 4 LYS A HD2 24 ATOM 32684 H HD3 . LYS A 1 4 ? -27.109 -9.896 5.742 1.00 0.00 ? 4 LYS A HD3 24 ATOM 32685 H HE2 . LYS A 1 4 ? -24.875 -8.576 6.511 1.00 0.00 ? 4 LYS A HE2 24 ATOM 32686 H HE3 . LYS A 1 4 ? -25.903 -8.329 7.922 1.00 0.00 ? 4 LYS A HE3 24 ATOM 32687 H HZ1 . LYS A 1 4 ? -26.026 -11.022 7.026 1.00 0.00 ? 4 LYS A HZ1 24 ATOM 32688 H HZ2 . LYS A 1 4 ? -24.424 -10.570 7.329 1.00 0.00 ? 4 LYS A HZ2 24 ATOM 32689 H HZ3 . LYS A 1 4 ? -25.591 -10.419 8.546 1.00 0.00 ? 4 LYS A HZ3 24 ATOM 32690 N N . HIS A 1 5 ? -23.592 -8.987 2.244 1.00 0.00 ? 5 HIS A N 24 ATOM 32691 C CA . HIS A 1 5 ? -22.179 -9.339 2.311 1.00 0.00 ? 5 HIS A CA 24 ATOM 32692 C C . HIS A 1 5 ? -21.300 -8.176 1.858 1.00 0.00 ? 5 HIS A C 24 ATOM 32693 O O . HIS A 1 5 ? -20.143 -8.068 2.264 1.00 0.00 ? 5 HIS A O 24 ATOM 32694 C CB . HIS A 1 5 ? -21.900 -10.567 1.443 1.00 0.00 ? 5 HIS A CB 24 ATOM 32695 C CG . HIS A 1 5 ? -22.187 -10.351 -0.010 1.00 0.00 ? 5 HIS A CG 24 ATOM 32696 N ND1 . HIS A 1 5 ? -21.495 -10.988 -1.019 1.00 0.00 ? 5 HIS A ND1 24 ATOM 32697 C CD2 . HIS A 1 5 ? -23.100 -9.560 -0.626 1.00 0.00 ? 5 HIS A CD2 24 ATOM 32698 C CE1 . HIS A 1 5 ? -21.968 -10.600 -2.190 1.00 0.00 ? 5 HIS A CE1 24 ATOM 32699 N NE2 . HIS A 1 5 ? -22.942 -9.734 -1.977 1.00 0.00 ? 5 HIS A NE2 24 ATOM 32700 H H . HIS A 1 5 ? -24.187 -9.515 1.674 1.00 0.00 ? 5 HIS A H 24 ATOM 32701 H HA . HIS A 1 5 ? -21.944 -9.575 3.338 1.00 0.00 ? 5 HIS A HA 24 ATOM 32702 H HB2 . HIS A 1 5 ? -20.859 -10.837 1.538 1.00 0.00 ? 5 HIS A HB2 24 ATOM 32703 H HB3 . HIS A 1 5 ? -22.512 -11.388 1.785 1.00 0.00 ? 5 HIS A HB3 24 ATOM 32704 H HD1 . HIS A 1 5 ? -20.765 -11.630 -0.895 1.00 0.00 ? 5 HIS A HD1 24 ATOM 32705 H HD2 . HIS A 1 5 ? -23.817 -8.913 -0.141 1.00 0.00 ? 5 HIS A HD2 24 ATOM 32706 H HE1 . HIS A 1 5 ? -21.618 -10.933 -3.156 1.00 0.00 ? 5 HIS A HE1 24 ATOM 32707 H HE2 . HIS A 1 5 ? -23.467 -9.290 -2.676 1.00 0.00 ? 5 HIS A HE2 24 ATOM 32708 N N . HIS A 1 6 ? -21.853 -7.310 1.014 1.00 0.00 ? 6 HIS A N 24 ATOM 32709 C CA . HIS A 1 6 ? -21.109 -6.161 0.509 1.00 0.00 ? 6 HIS A CA 24 ATOM 32710 C C . HIS A 1 6 ? -20.754 -5.200 1.641 1.00 0.00 ? 6 HIS A C 24 ATOM 32711 O O . HIS A 1 6 ? -19.697 -4.570 1.624 1.00 0.00 ? 6 HIS A O 24 ATOM 32712 C CB . HIS A 1 6 ? -21.910 -5.439 -0.581 1.00 0.00 ? 6 HIS A CB 24 ATOM 32713 C CG . HIS A 1 6 ? -23.016 -4.570 -0.061 1.00 0.00 ? 6 HIS A CG 24 ATOM 32714 N ND1 . HIS A 1 6 ? -24.346 -4.931 -0.111 1.00 0.00 ? 6 HIS A ND1 24 ATOM 32715 C CD2 . HIS A 1 6 ? -22.982 -3.346 0.517 1.00 0.00 ? 6 HIS A CD2 24 ATOM 32716 C CE1 . HIS A 1 6 ? -25.082 -3.966 0.412 1.00 0.00 ? 6 HIS A CE1 24 ATOM 32717 N NE2 . HIS A 1 6 ? -24.278 -2.995 0.801 1.00 0.00 ? 6 HIS A NE2 24 ATOM 32718 H H . HIS A 1 6 ? -22.778 -7.448 0.723 1.00 0.00 ? 6 HIS A H 24 ATOM 32719 H HA . HIS A 1 6 ? -20.192 -6.533 0.077 1.00 0.00 ? 6 HIS A HA 24 ATOM 32720 H HB2 . HIS A 1 6 ? -21.241 -4.812 -1.151 1.00 0.00 ? 6 HIS A HB2 24 ATOM 32721 H HB3 . HIS A 1 6 ? -22.349 -6.175 -1.239 1.00 0.00 ? 6 HIS A HB3 24 ATOM 32722 H HD1 . HIS A 1 6 ? -24.698 -5.769 -0.477 1.00 0.00 ? 6 HIS A HD1 24 ATOM 32723 H HD2 . HIS A 1 6 ? -22.100 -2.753 0.714 1.00 0.00 ? 6 HIS A HD2 24 ATOM 32724 H HE1 . HIS A 1 6 ? -26.157 -3.970 0.503 1.00 0.00 ? 6 HIS A HE1 24 ATOM 32725 H HE2 . HIS A 1 6 ? -24.564 -2.160 1.226 1.00 0.00 ? 6 HIS A HE2 24 ATOM 32726 N N . GLU A 1 7 ? -21.642 -5.094 2.626 1.00 0.00 ? 7 GLU A N 24 ATOM 32727 C CA . GLU A 1 7 ? -21.419 -4.214 3.768 1.00 0.00 ? 7 GLU A CA 24 ATOM 32728 C C . GLU A 1 7 ? -20.163 -4.624 4.528 1.00 0.00 ? 7 GLU A C 24 ATOM 32729 O O . GLU A 1 7 ? -19.397 -3.775 4.985 1.00 0.00 ? 7 GLU A O 24 ATOM 32730 C CB . GLU A 1 7 ? -22.629 -4.241 4.704 1.00 0.00 ? 7 GLU A CB 24 ATOM 32731 C CG . GLU A 1 7 ? -22.445 -3.403 5.960 1.00 0.00 ? 7 GLU A CG 24 ATOM 32732 C CD . GLU A 1 7 ? -23.395 -3.803 7.071 1.00 0.00 ? 7 GLU A CD 24 ATOM 32733 O OE1 . GLU A 1 7 ? -23.497 -5.015 7.358 1.00 0.00 ? 7 GLU A OE1 24 ATOM 32734 O OE2 . GLU A 1 7 ? -24.037 -2.905 7.655 1.00 0.00 ? 7 GLU A OE2 24 ATOM 32735 H H . GLU A 1 7 ? -22.465 -5.623 2.586 1.00 0.00 ? 7 GLU A H 24 ATOM 32736 H HA . GLU A 1 7 ? -21.288 -3.211 3.392 1.00 0.00 ? 7 GLU A HA 24 ATOM 32737 H HB2 . GLU A 1 7 ? -23.490 -3.868 4.171 1.00 0.00 ? 7 GLU A HB2 24 ATOM 32738 H HB3 . GLU A 1 7 ? -22.815 -5.263 5.003 1.00 0.00 ? 7 GLU A HB3 24 ATOM 32739 H HG2 . GLU A 1 7 ? -21.432 -3.524 6.313 1.00 0.00 ? 7 GLU A HG2 24 ATOM 32740 H HG3 . GLU A 1 7 ? -22.618 -2.367 5.713 1.00 0.00 ? 7 GLU A HG3 24 ATOM 32741 N N . ASN A 1 8 ? -19.951 -5.930 4.652 1.00 0.00 ? 8 ASN A N 24 ATOM 32742 C CA . ASN A 1 8 ? -18.779 -6.448 5.349 1.00 0.00 ? 8 ASN A CA 24 ATOM 32743 C C . ASN A 1 8 ? -17.516 -6.111 4.571 1.00 0.00 ? 8 ASN A C 24 ATOM 32744 O O . ASN A 1 8 ? -16.596 -5.485 5.099 1.00 0.00 ? 8 ASN A O 24 ATOM 32745 C CB . ASN A 1 8 ? -18.893 -7.963 5.540 1.00 0.00 ? 8 ASN A CB 24 ATOM 32746 C CG . ASN A 1 8 ? -20.155 -8.359 6.280 1.00 0.00 ? 8 ASN A CG 24 ATOM 32747 O OD1 . ASN A 1 8 ? -21.066 -7.550 6.456 1.00 0.00 ? 8 ASN A OD1 24 ATOM 32748 N ND2 . ASN A 1 8 ? -20.215 -9.612 6.718 1.00 0.00 ? 8 ASN A ND2 24 ATOM 32749 H H . ASN A 1 8 ? -20.593 -6.557 4.260 1.00 0.00 ? 8 ASN A H 24 ATOM 32750 H HA . ASN A 1 8 ? -18.729 -5.971 6.317 1.00 0.00 ? 8 ASN A HA 24 ATOM 32751 H HB2 . ASN A 1 8 ? -18.900 -8.441 4.572 1.00 0.00 ? 8 ASN A HB2 24 ATOM 32752 H HB3 . ASN A 1 8 ? -18.041 -8.314 6.103 1.00 0.00 ? 8 ASN A HB3 24 ATOM 32753 H HD21 . ASN A 1 8 ? -19.451 -10.200 6.542 1.00 0.00 ? 8 ASN A HD21 24 ATOM 32754 H HD22 . ASN A 1 8 ? -21.020 -9.896 7.200 1.00 0.00 ? 8 ASN A HD22 24 ATOM 32755 N N . GLU A 1 9 ? -17.490 -6.507 3.304 1.00 0.00 ? 9 GLU A N 24 ATOM 32756 C CA . GLU A 1 9 ? -16.351 -6.220 2.443 1.00 0.00 ? 9 GLU A CA 24 ATOM 32757 C C . GLU A 1 9 ? -16.134 -4.712 2.336 1.00 0.00 ? 9 GLU A C 24 ATOM 32758 O O . GLU A 1 9 ? -15.058 -4.256 1.951 1.00 0.00 ? 9 GLU A O 24 ATOM 32759 C CB . GLU A 1 9 ? -16.574 -6.817 1.051 1.00 0.00 ? 9 GLU A CB 24 ATOM 32760 C CG . GLU A 1 9 ? -15.285 -7.128 0.310 1.00 0.00 ? 9 GLU A CG 24 ATOM 32761 C CD . GLU A 1 9 ? -15.044 -8.618 0.157 1.00 0.00 ? 9 GLU A CD 24 ATOM 32762 O OE1 . GLU A 1 9 ? -14.618 -9.254 1.144 1.00 0.00 ? 9 GLU A OE1 24 ATOM 32763 O OE2 . GLU A 1 9 ? -15.283 -9.148 -0.948 1.00 0.00 ? 9 GLU A OE2 24 ATOM 32764 H H . GLU A 1 9 ? -18.262 -6.985 2.935 1.00 0.00 ? 9 GLU A H 24 ATOM 32765 H HA . GLU A 1 9 ? -15.476 -6.670 2.885 1.00 0.00 ? 9 GLU A HA 24 ATOM 32766 H HB2 . GLU A 1 9 ? -17.136 -7.734 1.152 1.00 0.00 ? 9 GLU A HB2 24 ATOM 32767 H HB3 . GLU A 1 9 ? -17.146 -6.117 0.460 1.00 0.00 ? 9 GLU A HB3 24 ATOM 32768 H HG2 . GLU A 1 9 ? -15.336 -6.685 -0.674 1.00 0.00 ? 9 GLU A HG2 24 ATOM 32769 H HG3 . GLU A 1 9 ? -14.458 -6.698 0.855 1.00 0.00 ? 9 GLU A HG3 24 ATOM 32770 N N . ILE A 1 10 ? -17.167 -3.941 2.682 1.00 0.00 ? 10 ILE A N 24 ATOM 32771 C CA . ILE A 1 10 ? -17.098 -2.490 2.631 1.00 0.00 ? 10 ILE A CA 24 ATOM 32772 C C . ILE A 1 10 ? -16.200 -1.953 3.752 1.00 0.00 ? 10 ILE A C 24 ATOM 32773 O O . ILE A 1 10 ? -15.273 -1.182 3.507 1.00 0.00 ? 10 ILE A O 24 ATOM 32774 C CB . ILE A 1 10 ? -18.542 -1.884 2.691 1.00 0.00 ? 10 ILE A CB 24 ATOM 32775 C CG1 . ILE A 1 10 ? -18.803 -1.020 1.458 1.00 0.00 ? 10 ILE A CG1 24 ATOM 32776 C CG2 . ILE A 1 10 ? -18.823 -1.085 3.964 1.00 0.00 ? 10 ILE A CG2 24 ATOM 32777 C CD1 . ILE A 1 10 ? -20.086 -1.379 0.743 1.00 0.00 ? 10 ILE A CD1 24 ATOM 32778 H H . ILE A 1 10 ? -18.000 -4.360 2.978 1.00 0.00 ? 10 ILE A H 24 ATOM 32779 H HA . ILE A 1 10 ? -16.660 -2.218 1.681 1.00 0.00 ? 10 ILE A HA 24 ATOM 32780 H HB . ILE A 1 10 ? -19.236 -2.709 2.673 1.00 0.00 ? 10 ILE A HB 24 ATOM 32781 H HG12 . ILE A 1 10 ? -18.868 0.015 1.758 1.00 0.00 ? 10 ILE A HG12 24 ATOM 32782 H HG13 . ILE A 1 10 ? -17.987 -1.140 0.761 1.00 0.00 ? 10 ILE A HG13 24 ATOM 32783 H HG21 . ILE A 1 10 ? -18.677 -1.717 4.827 1.00 0.00 ? 10 ILE A HG21 24 ATOM 32784 H HG22 . ILE A 1 10 ? -18.152 -0.242 4.018 1.00 0.00 ? 10 ILE A HG22 24 ATOM 32785 H HG23 . ILE A 1 10 ? -19.844 -0.731 3.948 1.00 0.00 ? 10 ILE A HG23 24 ATOM 32786 H HD11 . ILE A 1 10 ? -20.178 -2.455 0.691 1.00 0.00 ? 10 ILE A HD11 24 ATOM 32787 H HD12 . ILE A 1 10 ? -20.926 -0.972 1.285 1.00 0.00 ? 10 ILE A HD12 24 ATOM 32788 H HD13 . ILE A 1 10 ? -20.070 -0.970 -0.256 1.00 0.00 ? 10 ILE A HD13 24 ATOM 32789 N N . SER A 1 11 ? -16.486 -2.370 4.983 1.00 0.00 ? 11 SER A N 24 ATOM 32790 C CA . SER A 1 11 ? -15.708 -1.933 6.136 1.00 0.00 ? 11 SER A CA 24 ATOM 32791 C C . SER A 1 11 ? -14.263 -2.402 6.025 1.00 0.00 ? 11 SER A C 24 ATOM 32792 O O . SER A 1 11 ? -13.347 -1.755 6.535 1.00 0.00 ? 11 SER A O 24 ATOM 32793 C CB . SER A 1 11 ? -16.332 -2.462 7.428 1.00 0.00 ? 11 SER A CB 24 ATOM 32794 O OG . SER A 1 11 ? -17.697 -2.091 7.526 1.00 0.00 ? 11 SER A OG 24 ATOM 32795 H H . SER A 1 11 ? -17.238 -2.989 5.118 1.00 0.00 ? 11 SER A H 24 ATOM 32796 H HA . SER A 1 11 ? -15.723 -0.854 6.155 1.00 0.00 ? 11 SER A HA 24 ATOM 32797 H HB2 . SER A 1 11 ? -16.263 -3.539 7.444 1.00 0.00 ? 11 SER A HB2 24 ATOM 32798 H HB3 . SER A 1 11 ? -15.800 -2.054 8.275 1.00 0.00 ? 11 SER A HB3 24 ATOM 32799 H HG . SER A 1 11 ? -18.231 -2.873 7.680 1.00 0.00 ? 11 SER A HG 24 ATOM 32800 N N . HIS A 1 12 ? -14.065 -3.532 5.354 1.00 0.00 ? 12 HIS A N 24 ATOM 32801 C CA . HIS A 1 12 ? -12.732 -4.086 5.179 1.00 0.00 ? 12 HIS A CA 24 ATOM 32802 C C . HIS A 1 12 ? -11.933 -3.245 4.179 1.00 0.00 ? 12 HIS A C 24 ATOM 32803 O O . HIS A 1 12 ? -10.758 -2.952 4.406 1.00 0.00 ? 12 HIS A O 24 ATOM 32804 C CB . HIS A 1 12 ? -12.839 -5.570 4.754 1.00 0.00 ? 12 HIS A CB 24 ATOM 32805 C CG . HIS A 1 12 ? -11.933 -6.000 3.635 1.00 0.00 ? 12 HIS A CG 24 ATOM 32806 N ND1 . HIS A 1 12 ? -10.650 -6.465 3.836 1.00 0.00 ? 12 HIS A ND1 24 ATOM 32807 C CD2 . HIS A 1 12 ? -12.137 -6.029 2.299 1.00 0.00 ? 12 HIS A CD2 24 ATOM 32808 C CE1 . HIS A 1 12 ? -10.104 -6.762 2.669 1.00 0.00 ? 12 HIS A CE1 24 ATOM 32809 N NE2 . HIS A 1 12 ? -10.987 -6.507 1.721 1.00 0.00 ? 12 HIS A NE2 24 ATOM 32810 H H . HIS A 1 12 ? -14.833 -4.003 4.969 1.00 0.00 ? 12 HIS A H 24 ATOM 32811 H HA . HIS A 1 12 ? -12.233 -4.034 6.136 1.00 0.00 ? 12 HIS A HA 24 ATOM 32812 H HB2 . HIS A 1 12 ? -12.612 -6.191 5.607 1.00 0.00 ? 12 HIS A HB2 24 ATOM 32813 H HB3 . HIS A 1 12 ? -13.856 -5.766 4.446 1.00 0.00 ? 12 HIS A HB3 24 ATOM 32814 H HD1 . HIS A 1 12 ? -10.205 -6.564 4.704 1.00 0.00 ? 12 HIS A HD1 24 ATOM 32815 H HD2 . HIS A 1 12 ? -13.039 -5.730 1.785 1.00 0.00 ? 12 HIS A HD2 24 ATOM 32816 H HE1 . HIS A 1 12 ? -9.107 -7.149 2.517 1.00 0.00 ? 12 HIS A HE1 24 ATOM 32817 H HE2 . HIS A 1 12 ? -10.841 -6.638 0.761 1.00 0.00 ? 12 HIS A HE2 24 ATOM 32818 N N . HIS A 1 13 ? -12.572 -2.850 3.081 1.00 0.00 ? 13 HIS A N 24 ATOM 32819 C CA . HIS A 1 13 ? -11.901 -2.039 2.076 1.00 0.00 ? 13 HIS A CA 24 ATOM 32820 C C . HIS A 1 13 ? -11.457 -0.715 2.675 1.00 0.00 ? 13 HIS A C 24 ATOM 32821 O O . HIS A 1 13 ? -10.440 -0.163 2.275 1.00 0.00 ? 13 HIS A O 24 ATOM 32822 C CB . HIS A 1 13 ? -12.815 -1.767 0.886 1.00 0.00 ? 13 HIS A CB 24 ATOM 32823 C CG . HIS A 1 13 ? -13.308 -2.991 0.194 1.00 0.00 ? 13 HIS A CG 24 ATOM 32824 N ND1 . HIS A 1 13 ? -12.611 -4.181 0.154 1.00 0.00 ? 13 HIS A ND1 24 ATOM 32825 C CD2 . HIS A 1 13 ? -14.445 -3.197 -0.498 1.00 0.00 ? 13 HIS A CD2 24 ATOM 32826 C CE1 . HIS A 1 13 ? -13.304 -5.068 -0.540 1.00 0.00 ? 13 HIS A CE1 24 ATOM 32827 N NE2 . HIS A 1 13 ? -14.422 -4.494 -0.946 1.00 0.00 ? 13 HIS A NE2 24 ATOM 32828 H H . HIS A 1 13 ? -13.510 -3.103 2.949 1.00 0.00 ? 13 HIS A H 24 ATOM 32829 H HA . HIS A 1 13 ? -11.030 -2.581 1.737 1.00 0.00 ? 13 HIS A HA 24 ATOM 32830 H HB2 . HIS A 1 13 ? -13.676 -1.217 1.225 1.00 0.00 ? 13 HIS A HB2 24 ATOM 32831 H HB3 . HIS A 1 13 ? -12.278 -1.171 0.162 1.00 0.00 ? 13 HIS A HB3 24 ATOM 32832 H HD1 . HIS A 1 13 ? -11.740 -4.350 0.569 1.00 0.00 ? 13 HIS A HD1 24 ATOM 32833 H HD2 . HIS A 1 13 ? -15.224 -2.467 -0.666 1.00 0.00 ? 13 HIS A HD2 24 ATOM 32834 H HE1 . HIS A 1 13 ? -13.008 -6.086 -0.740 1.00 0.00 ? 13 HIS A HE1 24 ATOM 32835 H HE2 . HIS A 1 13 ? -15.121 -4.926 -1.480 1.00 0.00 ? 13 HIS A HE2 24 ATOM 32836 N N . ALA A 1 14 ? -12.230 -0.209 3.632 1.00 0.00 ? 14 ALA A N 24 ATOM 32837 C CA . ALA A 1 14 ? -11.907 1.055 4.280 1.00 0.00 ? 14 ALA A CA 24 ATOM 32838 C C . ALA A 1 14 ? -10.615 0.926 5.069 1.00 0.00 ? 14 ALA A C 24 ATOM 32839 O O . ALA A 1 14 ? -9.658 1.665 4.839 1.00 0.00 ? 14 ALA A O 24 ATOM 32840 C CB . ALA A 1 14 ? -13.047 1.496 5.186 1.00 0.00 ? 14 ALA A CB 24 ATOM 32841 H H . ALA A 1 14 ? -13.036 -0.697 3.905 1.00 0.00 ? 14 ALA A H 24 ATOM 32842 H HA . ALA A 1 14 ? -11.774 1.803 3.509 1.00 0.00 ? 14 ALA A HA 24 ATOM 32843 H HB1 . ALA A 1 14 ? -13.319 0.684 5.844 1.00 0.00 ? 14 ALA A HB1 24 ATOM 32844 H HB2 . ALA A 1 14 ? -12.732 2.345 5.774 1.00 0.00 ? 14 ALA A HB2 24 ATOM 32845 H HB3 . ALA A 1 14 ? -13.900 1.772 4.584 1.00 0.00 ? 14 ALA A HB3 24 ATOM 32846 N N . LYS A 1 15 ? -10.584 -0.033 5.986 1.00 0.00 ? 15 LYS A N 24 ATOM 32847 C CA . LYS A 1 15 ? -9.393 -0.272 6.784 1.00 0.00 ? 15 LYS A CA 24 ATOM 32848 C C . LYS A 1 15 ? -8.242 -0.727 5.891 1.00 0.00 ? 15 LYS A C 24 ATOM 32849 O O . LYS A 1 15 ? -7.081 -0.706 6.299 1.00 0.00 ? 15 LYS A O 24 ATOM 32850 C CB . LYS A 1 15 ? -9.673 -1.324 7.858 1.00 0.00 ? 15 LYS A CB 24 ATOM 32851 C CG . LYS A 1 15 ? -9.891 -0.737 9.243 1.00 0.00 ? 15 LYS A CG 24 ATOM 32852 C CD . LYS A 1 15 ? -9.290 -1.621 10.325 1.00 0.00 ? 15 LYS A CD 24 ATOM 32853 C CE . LYS A 1 15 ? -10.353 -2.123 11.288 1.00 0.00 ? 15 LYS A CE 24 ATOM 32854 N NZ . LYS A 1 15 ? -10.386 -1.323 12.544 1.00 0.00 ? 15 LYS A NZ 24 ATOM 32855 H H . LYS A 1 15 ? -11.370 -0.604 6.111 1.00 0.00 ? 15 LYS A H 24 ATOM 32856 H HA . LYS A 1 15 ? -9.119 0.658 7.261 1.00 0.00 ? 15 LYS A HA 24 ATOM 32857 H HB2 . LYS A 1 15 ? -10.558 -1.878 7.582 1.00 0.00 ? 15 LYS A HB2 24 ATOM 32858 H HB3 . LYS A 1 15 ? -8.834 -2.004 7.907 1.00 0.00 ? 15 LYS A HB3 24 ATOM 32859 H HG2 . LYS A 1 15 ? -9.426 0.236 9.288 1.00 0.00 ? 15 LYS A HG2 24 ATOM 32860 H HG3 . LYS A 1 15 ? -10.953 -0.639 9.419 1.00 0.00 ? 15 LYS A HG3 24 ATOM 32861 H HD2 . LYS A 1 15 ? -8.812 -2.469 9.858 1.00 0.00 ? 15 LYS A HD2 24 ATOM 32862 H HD3 . LYS A 1 15 ? -8.556 -1.050 10.876 1.00 0.00 ? 15 LYS A HD3 24 ATOM 32863 H HE2 . LYS A 1 15 ? -11.316 -2.058 10.806 1.00 0.00 ? 15 LYS A HE2 24 ATOM 32864 H HE3 . LYS A 1 15 ? -10.142 -3.153 11.532 1.00 0.00 ? 15 LYS A HE3 24 ATOM 32865 H HZ1 . LYS A 1 15 ? -9.801 -0.470 12.440 1.00 0.00 ? 15 LYS A HZ1 24 ATOM 32866 H HZ2 . LYS A 1 15 ? -11.362 -1.036 12.759 1.00 0.00 ? 15 LYS A HZ2 24 ATOM 32867 H HZ3 . LYS A 1 15 ? -10.018 -1.887 13.336 1.00 0.00 ? 15 LYS A HZ3 24 ATOM 32868 N N . GLU A 1 16 ? -8.572 -1.139 4.664 1.00 0.00 ? 16 GLU A N 24 ATOM 32869 C CA . GLU A 1 16 ? -7.569 -1.595 3.716 1.00 0.00 ? 16 GLU A CA 24 ATOM 32870 C C . GLU A 1 16 ? -6.916 -0.418 3.002 1.00 0.00 ? 16 GLU A C 24 ATOM 32871 O O . GLU A 1 16 ? -5.731 -0.467 2.679 1.00 0.00 ? 16 GLU A O 24 ATOM 32872 C CB . GLU A 1 16 ? -8.197 -2.545 2.694 1.00 0.00 ? 16 GLU A CB 24 ATOM 32873 C CG . GLU A 1 16 ? -7.199 -3.492 2.046 1.00 0.00 ? 16 GLU A CG 24 ATOM 32874 C CD . GLU A 1 16 ? -6.301 -4.176 3.059 1.00 0.00 ? 16 GLU A CD 24 ATOM 32875 O OE1 . GLU A 1 16 ? -6.725 -4.323 4.225 1.00 0.00 ? 16 GLU A OE1 24 ATOM 32876 O OE2 . GLU A 1 16 ? -5.175 -4.565 2.687 1.00 0.00 ? 16 GLU A OE2 24 ATOM 32877 H H . GLU A 1 16 ? -9.511 -1.136 4.391 1.00 0.00 ? 16 GLU A H 24 ATOM 32878 H HA . GLU A 1 16 ? -6.810 -2.127 4.270 1.00 0.00 ? 16 GLU A HA 24 ATOM 32879 H HB2 . GLU A 1 16 ? -8.953 -3.136 3.187 1.00 0.00 ? 16 GLU A HB2 24 ATOM 32880 H HB3 . GLU A 1 16 ? -8.662 -1.959 1.914 1.00 0.00 ? 16 GLU A HB3 24 ATOM 32881 H HG2 . GLU A 1 16 ? -7.742 -4.249 1.502 1.00 0.00 ? 16 GLU A HG2 24 ATOM 32882 H HG3 . GLU A 1 16 ? -6.581 -2.930 1.361 1.00 0.00 ? 16 GLU A HG3 24 ATOM 32883 N N . ILE A 1 17 ? -7.684 0.646 2.757 1.00 0.00 ? 17 ILE A N 24 ATOM 32884 C CA . ILE A 1 17 ? -7.144 1.821 2.085 1.00 0.00 ? 17 ILE A CA 24 ATOM 32885 C C . ILE A 1 17 ? -6.252 2.620 3.035 1.00 0.00 ? 17 ILE A C 24 ATOM 32886 O O . ILE A 1 17 ? -5.228 3.173 2.628 1.00 0.00 ? 17 ILE A O 24 ATOM 32887 C CB . ILE A 1 17 ? -8.273 2.715 1.506 1.00 0.00 ? 17 ILE A CB 24 ATOM 32888 C CG1 . ILE A 1 17 ? -8.874 3.644 2.571 1.00 0.00 ? 17 ILE A CG1 24 ATOM 32889 C CG2 . ILE A 1 17 ? -9.363 1.848 0.901 1.00 0.00 ? 17 ILE A CG2 24 ATOM 32890 C CD1 . ILE A 1 17 ? -8.206 5.000 2.636 1.00 0.00 ? 17 ILE A CD1 24 ATOM 32891 H H . ILE A 1 17 ? -8.628 0.641 3.038 1.00 0.00 ? 17 ILE A H 24 ATOM 32892 H HA . ILE A 1 17 ? -6.535 1.475 1.260 1.00 0.00 ? 17 ILE A HA 24 ATOM 32893 H HB . ILE A 1 17 ? -7.852 3.312 0.711 1.00 0.00 ? 17 ILE A HB 24 ATOM 32894 H HG12 . ILE A 1 17 ? -9.920 3.800 2.355 1.00 0.00 ? 17 ILE A HG12 24 ATOM 32895 H HG13 . ILE A 1 17 ? -8.776 3.179 3.541 1.00 0.00 ? 17 ILE A HG13 24 ATOM 32896 H HG21 . ILE A 1 17 ? -9.030 0.821 0.866 1.00 0.00 ? 17 ILE A HG21 24 ATOM 32897 H HG22 . ILE A 1 17 ? -10.255 1.916 1.506 1.00 0.00 ? 17 ILE A HG22 24 ATOM 32898 H HG23 . ILE A 1 17 ? -9.581 2.189 -0.100 1.00 0.00 ? 17 ILE A HG23 24 ATOM 32899 H HD11 . ILE A 1 17 ? -7.296 4.982 2.054 1.00 0.00 ? 17 ILE A HD11 24 ATOM 32900 H HD12 . ILE A 1 17 ? -8.873 5.750 2.237 1.00 0.00 ? 17 ILE A HD12 24 ATOM 32901 H HD13 . ILE A 1 17 ? -7.972 5.238 3.663 1.00 0.00 ? 17 ILE A HD13 24 ATOM 32902 N N . GLU A 1 18 ? -6.644 2.664 4.305 1.00 0.00 ? 18 GLU A N 24 ATOM 32903 C CA . GLU A 1 18 ? -5.876 3.382 5.314 1.00 0.00 ? 18 GLU A CA 24 ATOM 32904 C C . GLU A 1 18 ? -4.640 2.583 5.709 1.00 0.00 ? 18 GLU A C 24 ATOM 32905 O O . GLU A 1 18 ? -3.551 3.138 5.869 1.00 0.00 ? 18 GLU A O 24 ATOM 32906 C CB . GLU A 1 18 ? -6.739 3.657 6.547 1.00 0.00 ? 18 GLU A CB 24 ATOM 32907 C CG . GLU A 1 18 ? -7.303 5.068 6.592 1.00 0.00 ? 18 GLU A CG 24 ATOM 32908 C CD . GLU A 1 18 ? -7.641 5.515 8.001 1.00 0.00 ? 18 GLU A CD 24 ATOM 32909 O OE1 . GLU A 1 18 ? -8.539 4.906 8.618 1.00 0.00 ? 18 GLU A OE1 24 ATOM 32910 O OE2 . GLU A 1 18 ? -7.007 6.476 8.486 1.00 0.00 ? 18 GLU A OE2 24 ATOM 32911 H H . GLU A 1 18 ? -7.463 2.192 4.573 1.00 0.00 ? 18 GLU A H 24 ATOM 32912 H HA . GLU A 1 18 ? -5.562 4.322 4.885 1.00 0.00 ? 18 GLU A HA 24 ATOM 32913 H HB2 . GLU A 1 18 ? -7.565 2.961 6.556 1.00 0.00 ? 18 GLU A HB2 24 ATOM 32914 H HB3 . GLU A 1 18 ? -6.141 3.503 7.433 1.00 0.00 ? 18 GLU A HB3 24 ATOM 32915 H HG2 . GLU A 1 18 ? -6.572 5.748 6.180 1.00 0.00 ? 18 GLU A HG2 24 ATOM 32916 H HG3 . GLU A 1 18 ? -8.202 5.101 5.994 1.00 0.00 ? 18 GLU A HG3 24 ATOM 32917 N N . ARG A 1 19 ? -4.814 1.274 5.857 1.00 0.00 ? 19 ARG A N 24 ATOM 32918 C CA . ARG A 1 19 ? -3.712 0.397 6.223 1.00 0.00 ? 19 ARG A CA 24 ATOM 32919 C C . ARG A 1 19 ? -2.735 0.257 5.062 1.00 0.00 ? 19 ARG A C 24 ATOM 32920 O O . ARG A 1 19 ? -1.547 0.004 5.265 1.00 0.00 ? 19 ARG A O 24 ATOM 32921 C CB . ARG A 1 19 ? -4.238 -0.979 6.636 1.00 0.00 ? 19 ARG A CB 24 ATOM 32922 C CG . ARG A 1 19 ? -4.981 -0.974 7.961 1.00 0.00 ? 19 ARG A CG 24 ATOM 32923 C CD . ARG A 1 19 ? -4.097 -1.463 9.098 1.00 0.00 ? 19 ARG A CD 24 ATOM 32924 N NE . ARG A 1 19 ? -3.372 -0.368 9.736 1.00 0.00 ? 19 ARG A NE 24 ATOM 32925 C CZ . ARG A 1 19 ? -2.376 -0.547 10.597 1.00 0.00 ? 19 ARG A CZ 24 ATOM 32926 N NH1 . ARG A 1 19 ? -1.989 -1.774 10.921 1.00 0.00 ? 19 ARG A NH1 24 ATOM 32927 N NH2 . ARG A 1 19 ? -1.766 0.500 11.135 1.00 0.00 ? 19 ARG A NH2 24 ATOM 32928 H H . ARG A 1 19 ? -5.703 0.888 5.708 1.00 0.00 ? 19 ARG A H 24 ATOM 32929 H HA . ARG A 1 19 ? -3.195 0.844 7.058 1.00 0.00 ? 19 ARG A HA 24 ATOM 32930 H HB2 . ARG A 1 19 ? -4.910 -1.339 5.872 1.00 0.00 ? 19 ARG A HB2 24 ATOM 32931 H HB3 . ARG A 1 19 ? -3.403 -1.661 6.719 1.00 0.00 ? 19 ARG A HB3 24 ATOM 32932 H HG2 . ARG A 1 19 ? -5.303 0.034 8.178 1.00 0.00 ? 19 ARG A HG2 24 ATOM 32933 H HG3 . ARG A 1 19 ? -5.842 -1.620 7.883 1.00 0.00 ? 19 ARG A HG3 24 ATOM 32934 H HD2 . ARG A 1 19 ? -4.718 -1.948 9.836 1.00 0.00 ? 19 ARG A HD2 24 ATOM 32935 H HD3 . ARG A 1 19 ? -3.386 -2.172 8.703 1.00 0.00 ? 19 ARG A HD3 24 ATOM 32936 H HE . ARG A 1 19 ? -3.641 0.548 9.512 1.00 0.00 ? 19 ARG A HE 24 ATOM 32937 H HH11 . ARG A 1 19 ? -2.447 -2.566 10.516 1.00 0.00 ? 19 ARG A HH11 24 ATOM 32938 H HH12 . ARG A 1 19 ? -1.239 -1.907 11.568 1.00 0.00 ? 19 ARG A HH12 24 ATOM 32939 H HH21 . ARG A 1 19 ? -2.055 1.425 10.893 1.00 0.00 ? 19 ARG A HH21 24 ATOM 32940 H HH22 . ARG A 1 19 ? -1.016 0.363 11.783 1.00 0.00 ? 19 ARG A HH22 24 ATOM 32941 N N . LEU A 1 20 ? -3.241 0.435 3.846 1.00 0.00 ? 20 LEU A N 24 ATOM 32942 C CA . LEU A 1 20 ? -2.406 0.341 2.659 1.00 0.00 ? 20 LEU A CA 24 ATOM 32943 C C . LEU A 1 20 ? -1.471 1.538 2.585 1.00 0.00 ? 20 LEU A C 24 ATOM 32944 O O . LEU A 1 20 ? -0.286 1.394 2.291 1.00 0.00 ? 20 LEU A O 24 ATOM 32945 C CB . LEU A 1 20 ? -3.270 0.269 1.396 1.00 0.00 ? 20 LEU A CB 24 ATOM 32946 C CG . LEU A 1 20 ? -3.482 -1.137 0.829 1.00 0.00 ? 20 LEU A CG 24 ATOM 32947 C CD1 . LEU A 1 20 ? -2.268 -1.575 0.025 1.00 0.00 ? 20 LEU A CD1 24 ATOM 32948 C CD2 . LEU A 1 20 ? -3.771 -2.131 1.944 1.00 0.00 ? 20 LEU A CD2 24 ATOM 32949 H H . LEU A 1 20 ? -4.193 0.644 3.747 1.00 0.00 ? 20 LEU A H 24 ATOM 32950 H HA . LEU A 1 20 ? -1.817 -0.560 2.736 1.00 0.00 ? 20 LEU A HA 24 ATOM 32951 H HB2 . LEU A 1 20 ? -4.236 0.696 1.622 1.00 0.00 ? 20 LEU A HB2 24 ATOM 32952 H HB3 . LEU A 1 20 ? -2.802 0.872 0.634 1.00 0.00 ? 20 LEU A HB3 24 ATOM 32953 H HG . LEU A 1 20 ? -4.334 -1.124 0.163 1.00 0.00 ? 20 LEU A HG 24 ATOM 32954 H HD11 . LEU A 1 20 ? -1.979 -0.784 -0.651 1.00 0.00 ? 20 LEU A HD11 24 ATOM 32955 H HD12 . LEU A 1 20 ? -1.450 -1.792 0.697 1.00 0.00 ? 20 LEU A HD12 24 ATOM 32956 H HD13 . LEU A 1 20 ? -2.512 -2.461 -0.542 1.00 0.00 ? 20 LEU A HD13 24 ATOM 32957 H HD21 . LEU A 1 20 ? -3.870 -1.602 2.881 1.00 0.00 ? 20 LEU A HD21 24 ATOM 32958 H HD22 . LEU A 1 20 ? -4.689 -2.657 1.730 1.00 0.00 ? 20 LEU A HD22 24 ATOM 32959 H HD23 . LEU A 1 20 ? -2.959 -2.840 2.015 1.00 0.00 ? 20 LEU A HD23 24 ATOM 32960 N N . GLN A 1 21 ? -2.011 2.721 2.864 1.00 0.00 ? 21 GLN A N 24 ATOM 32961 C CA . GLN A 1 21 ? -1.221 3.946 2.837 1.00 0.00 ? 21 GLN A CA 24 ATOM 32962 C C . GLN A 1 21 ? -0.066 3.863 3.829 1.00 0.00 ? 21 GLN A C 24 ATOM 32963 O O . GLN A 1 21 ? 1.084 4.145 3.484 1.00 0.00 ? 21 GLN A O 24 ATOM 32964 C CB . GLN A 1 21 ? -2.101 5.155 3.160 1.00 0.00 ? 21 GLN A CB 24 ATOM 32965 C CG . GLN A 1 21 ? -1.459 6.486 2.806 1.00 0.00 ? 21 GLN A CG 24 ATOM 32966 C CD . GLN A 1 21 ? -2.049 7.645 3.584 1.00 0.00 ? 21 GLN A CD 24 ATOM 32967 O OE1 . GLN A 1 21 ? -1.534 8.029 4.634 1.00 0.00 ? 21 GLN A OE1 24 ATOM 32968 N NE2 . GLN A 1 21 ? -3.136 8.209 3.071 1.00 0.00 ? 21 GLN A NE2 24 ATOM 32969 H H . GLN A 1 21 ? -2.965 2.770 3.097 1.00 0.00 ? 21 GLN A H 24 ATOM 32970 H HA . GLN A 1 21 ? -0.819 4.059 1.842 1.00 0.00 ? 21 GLN A HA 24 ATOM 32971 H HB2 . GLN A 1 21 ? -3.027 5.069 2.611 1.00 0.00 ? 21 GLN A HB2 24 ATOM 32972 H HB3 . GLN A 1 21 ? -2.318 5.155 4.218 1.00 0.00 ? 21 GLN A HB3 24 ATOM 32973 H HG2 . GLN A 1 21 ? -0.402 6.429 3.021 1.00 0.00 ? 21 GLN A HG2 24 ATOM 32974 H HG3 . GLN A 1 21 ? -1.600 6.670 1.751 1.00 0.00 ? 21 GLN A HG3 24 ATOM 32975 H HE21 . GLN A 1 21 ? -3.491 7.851 2.231 1.00 0.00 ? 21 GLN A HE21 24 ATOM 32976 H HE22 . GLN A 1 21 ? -3.539 8.961 3.553 1.00 0.00 ? 21 GLN A HE22 24 ATOM 32977 N N . LYS A 1 22 ? -0.373 3.471 5.062 1.00 0.00 ? 22 LYS A N 24 ATOM 32978 C CA . LYS A 1 22 ? 0.648 3.351 6.094 1.00 0.00 ? 22 LYS A CA 24 ATOM 32979 C C . LYS A 1 22 ? 1.667 2.282 5.719 1.00 0.00 ? 22 LYS A C 24 ATOM 32980 O O . LYS A 1 22 ? 2.854 2.404 6.024 1.00 0.00 ? 22 LYS A O 24 ATOM 32981 C CB . LYS A 1 22 ? 0.013 3.018 7.446 1.00 0.00 ? 22 LYS A CB 24 ATOM 32982 C CG . LYS A 1 22 ? 0.795 3.567 8.630 1.00 0.00 ? 22 LYS A CG 24 ATOM 32983 C CD . LYS A 1 22 ? 1.239 2.468 9.588 1.00 0.00 ? 22 LYS A CD 24 ATOM 32984 C CE . LYS A 1 22 ? 1.878 1.294 8.859 1.00 0.00 ? 22 LYS A CE 24 ATOM 32985 N NZ . LYS A 1 22 ? 2.742 0.485 9.763 1.00 0.00 ? 22 LYS A NZ 24 ATOM 32986 H H . LYS A 1 22 ? -1.306 3.254 5.282 1.00 0.00 ? 22 LYS A H 24 ATOM 32987 H HA . LYS A 1 22 ? 1.155 4.302 6.169 1.00 0.00 ? 22 LYS A HA 24 ATOM 32988 H HB2 . LYS A 1 22 ? -0.983 3.436 7.474 1.00 0.00 ? 22 LYS A HB2 24 ATOM 32989 H HB3 . LYS A 1 22 ? -0.054 1.946 7.547 1.00 0.00 ? 22 LYS A HB3 24 ATOM 32990 H HG2 . LYS A 1 22 ? 1.670 4.081 8.263 1.00 0.00 ? 22 LYS A HG2 24 ATOM 32991 H HG3 . LYS A 1 22 ? 0.168 4.264 9.168 1.00 0.00 ? 22 LYS A HG3 24 ATOM 32992 H HD2 . LYS A 1 22 ? 1.960 2.879 10.277 1.00 0.00 ? 22 LYS A HD2 24 ATOM 32993 H HD3 . LYS A 1 22 ? 0.379 2.114 10.136 1.00 0.00 ? 22 LYS A HD3 24 ATOM 32994 H HE2 . LYS A 1 22 ? 1.095 0.663 8.466 1.00 0.00 ? 22 LYS A HE2 24 ATOM 32995 H HE3 . LYS A 1 22 ? 2.477 1.673 8.046 1.00 0.00 ? 22 LYS A HE3 24 ATOM 32996 H HZ1 . LYS A 1 22 ? 2.236 0.272 10.645 1.00 0.00 ? 22 LYS A HZ1 24 ATOM 32997 H HZ2 . LYS A 1 22 ? 3.003 -0.410 9.302 1.00 0.00 ? 22 LYS A HZ2 24 ATOM 32998 H HZ3 . LYS A 1 22 ? 3.611 1.011 9.992 1.00 0.00 ? 22 LYS A HZ3 24 ATOM 32999 N N . GLU A 1 23 ? 1.196 1.234 5.051 1.00 0.00 ? 23 GLU A N 24 ATOM 33000 C CA . GLU A 1 23 ? 2.064 0.142 4.630 1.00 0.00 ? 23 GLU A CA 24 ATOM 33001 C C . GLU A 1 23 ? 3.089 0.623 3.608 1.00 0.00 ? 23 GLU A C 24 ATOM 33002 O O . GLU A 1 23 ? 4.230 0.156 3.590 1.00 0.00 ? 23 GLU A O 24 ATOM 33003 C CB . GLU A 1 23 ? 1.234 -0.999 4.038 1.00 0.00 ? 23 GLU A CB 24 ATOM 33004 C CG . GLU A 1 23 ? 2.072 -2.174 3.557 1.00 0.00 ? 23 GLU A CG 24 ATOM 33005 C CD . GLU A 1 23 ? 1.267 -3.169 2.747 1.00 0.00 ? 23 GLU A CD 24 ATOM 33006 O OE1 . GLU A 1 23 ? 0.629 -2.751 1.757 1.00 0.00 ? 23 GLU A OE1 24 ATOM 33007 O OE2 . GLU A 1 23 ? 1.272 -4.367 3.101 1.00 0.00 ? 23 GLU A OE2 24 ATOM 33008 H H . GLU A 1 23 ? 0.240 1.195 4.836 1.00 0.00 ? 23 GLU A H 24 ATOM 33009 H HA . GLU A 1 23 ? 2.587 -0.220 5.502 1.00 0.00 ? 23 GLU A HA 24 ATOM 33010 H HB2 . GLU A 1 23 ? 0.549 -1.358 4.791 1.00 0.00 ? 23 GLU A HB2 24 ATOM 33011 H HB3 . GLU A 1 23 ? 0.669 -0.620 3.200 1.00 0.00 ? 23 GLU A HB3 24 ATOM 33012 H HG2 . GLU A 1 23 ? 2.875 -1.798 2.943 1.00 0.00 ? 23 GLU A HG2 24 ATOM 33013 H HG3 . GLU A 1 23 ? 2.484 -2.681 4.417 1.00 0.00 ? 23 GLU A HG3 24 ATOM 33014 N N . ILE A 1 24 ? 2.682 1.562 2.759 1.00 0.00 ? 24 ILE A N 24 ATOM 33015 C CA . ILE A 1 24 ? 3.578 2.099 1.740 1.00 0.00 ? 24 ILE A CA 24 ATOM 33016 C C . ILE A 1 24 ? 4.699 2.904 2.402 1.00 0.00 ? 24 ILE A C 24 ATOM 33017 O O . ILE A 1 24 ? 5.866 2.795 2.025 1.00 0.00 ? 24 ILE A O 24 ATOM 33018 C CB . ILE A 1 24 ? 2.822 2.955 0.669 1.00 0.00 ? 24 ILE A CB 24 ATOM 33019 C CG1 . ILE A 1 24 ? 2.837 4.457 0.994 1.00 0.00 ? 24 ILE A CG1 24 ATOM 33020 C CG2 . ILE A 1 24 ? 1.386 2.476 0.510 1.00 0.00 ? 24 ILE A CG2 24 ATOM 33021 C CD1 . ILE A 1 24 ? 4.131 5.137 0.604 1.00 0.00 ? 24 ILE A CD1 24 ATOM 33022 H H . ILE A 1 24 ? 1.765 1.902 2.822 1.00 0.00 ? 24 ILE A H 24 ATOM 33023 H HA . ILE A 1 24 ? 4.027 1.255 1.233 1.00 0.00 ? 24 ILE A HA 24 ATOM 33024 H HB . ILE A 1 24 ? 3.319 2.803 -0.278 1.00 0.00 ? 24 ILE A HB 24 ATOM 33025 H HG12 . ILE A 1 24 ? 2.032 4.942 0.463 1.00 0.00 ? 24 ILE A HG12 24 ATOM 33026 H HG13 . ILE A 1 24 ? 2.695 4.592 2.056 1.00 0.00 ? 24 ILE A HG13 24 ATOM 33027 H HG21 . ILE A 1 24 ? 1.339 1.413 0.689 1.00 0.00 ? 24 ILE A HG21 24 ATOM 33028 H HG22 . ILE A 1 24 ? 0.755 2.990 1.220 1.00 0.00 ? 24 ILE A HG22 24 ATOM 33029 H HG23 . ILE A 1 24 ? 1.045 2.688 -0.492 1.00 0.00 ? 24 ILE A HG23 24 ATOM 33030 H HD11 . ILE A 1 24 ? 4.798 4.412 0.156 1.00 0.00 ? 24 ILE A HD11 24 ATOM 33031 H HD12 . ILE A 1 24 ? 3.924 5.922 -0.109 1.00 0.00 ? 24 ILE A HD12 24 ATOM 33032 H HD13 . ILE A 1 24 ? 4.596 5.560 1.482 1.00 0.00 ? 24 ILE A HD13 24 ATOM 33033 N N . GLU A 1 25 ? 4.327 3.704 3.398 1.00 0.00 ? 25 GLU A N 24 ATOM 33034 C CA . GLU A 1 25 ? 5.293 4.518 4.122 1.00 0.00 ? 25 GLU A CA 24 ATOM 33035 C C . GLU A 1 25 ? 6.344 3.633 4.777 1.00 0.00 ? 25 GLU A C 24 ATOM 33036 O O . GLU A 1 25 ? 7.535 3.944 4.760 1.00 0.00 ? 25 GLU A O 24 ATOM 33037 C CB . GLU A 1 25 ? 4.588 5.369 5.180 1.00 0.00 ? 25 GLU A CB 24 ATOM 33038 C CG . GLU A 1 25 ? 5.374 6.602 5.594 1.00 0.00 ? 25 GLU A CG 24 ATOM 33039 C CD . GLU A 1 25 ? 4.495 7.827 5.755 1.00 0.00 ? 25 GLU A CD 24 ATOM 33040 O OE1 . GLU A 1 25 ? 3.264 7.700 5.587 1.00 0.00 ? 25 GLU A OE1 24 ATOM 33041 O OE2 . GLU A 1 25 ? 5.038 8.912 6.050 1.00 0.00 ? 25 GLU A OE2 24 ATOM 33042 H H . GLU A 1 25 ? 3.381 3.740 3.656 1.00 0.00 ? 25 GLU A H 24 ATOM 33043 H HA . GLU A 1 25 ? 5.779 5.171 3.411 1.00 0.00 ? 25 GLU A HA 24 ATOM 33044 H HB2 . GLU A 1 25 ? 3.634 5.691 4.790 1.00 0.00 ? 25 GLU A HB2 24 ATOM 33045 H HB3 . GLU A 1 25 ? 4.421 4.763 6.059 1.00 0.00 ? 25 GLU A HB3 24 ATOM 33046 H HG2 . GLU A 1 25 ? 5.864 6.403 6.536 1.00 0.00 ? 25 GLU A HG2 24 ATOM 33047 H HG3 . GLU A 1 25 ? 6.119 6.808 4.838 1.00 0.00 ? 25 GLU A HG3 24 ATOM 33048 N N . ARG A 1 26 ? 5.893 2.519 5.349 1.00 0.00 ? 26 ARG A N 24 ATOM 33049 C CA . ARG A 1 26 ? 6.795 1.579 6.000 1.00 0.00 ? 26 ARG A CA 24 ATOM 33050 C C . ARG A 1 26 ? 7.814 1.048 5.000 1.00 0.00 ? 26 ARG A C 24 ATOM 33051 O O . ARG A 1 26 ? 8.990 0.873 5.326 1.00 0.00 ? 26 ARG A O 24 ATOM 33052 C CB . ARG A 1 26 ? 6.007 0.421 6.613 1.00 0.00 ? 26 ARG A CB 24 ATOM 33053 C CG . ARG A 1 26 ? 5.675 0.620 8.083 1.00 0.00 ? 26 ARG A CG 24 ATOM 33054 C CD . ARG A 1 26 ? 6.928 0.866 8.908 1.00 0.00 ? 26 ARG A CD 24 ATOM 33055 N NE . ARG A 1 26 ? 6.934 2.196 9.512 1.00 0.00 ? 26 ARG A NE 24 ATOM 33056 C CZ . ARG A 1 26 ? 8.027 2.785 9.984 1.00 0.00 ? 26 ARG A CZ 24 ATOM 33057 N NH1 . ARG A 1 26 ? 9.197 2.164 9.922 1.00 0.00 ? 26 ARG A NH1 24 ATOM 33058 N NH2 . ARG A 1 26 ? 7.951 3.996 10.518 1.00 0.00 ? 26 ARG A NH2 24 ATOM 33059 H H . ARG A 1 26 ? 4.934 2.323 5.323 1.00 0.00 ? 26 ARG A H 24 ATOM 33060 H HA . ARG A 1 26 ? 7.317 2.107 6.784 1.00 0.00 ? 26 ARG A HA 24 ATOM 33061 H HB2 . ARG A 1 26 ? 5.080 0.304 6.070 1.00 0.00 ? 26 ARG A HB2 24 ATOM 33062 H HB3 . ARG A 1 26 ? 6.587 -0.485 6.517 1.00 0.00 ? 26 ARG A HB3 24 ATOM 33063 H HG2 . ARG A 1 26 ? 5.019 1.472 8.182 1.00 0.00 ? 26 ARG A HG2 24 ATOM 33064 H HG3 . ARG A 1 26 ? 5.179 -0.264 8.454 1.00 0.00 ? 26 ARG A HG3 24 ATOM 33065 H HD2 . ARG A 1 26 ? 6.978 0.126 9.692 1.00 0.00 ? 26 ARG A HD2 24 ATOM 33066 H HD3 . ARG A 1 26 ? 7.791 0.769 8.266 1.00 0.00 ? 26 ARG A HD3 24 ATOM 33067 H HE . ARG A 1 26 ? 6.079 2.673 9.567 1.00 0.00 ? 26 ARG A HE 24 ATOM 33068 H HH11 . ARG A 1 26 ? 9.257 1.251 9.520 1.00 0.00 ? 26 ARG A HH11 24 ATOM 33069 H HH12 . ARG A 1 26 ? 10.018 2.609 10.277 1.00 0.00 ? 26 ARG A HH12 24 ATOM 33070 H HH21 . ARG A 1 26 ? 7.071 4.468 10.567 1.00 0.00 ? 26 ARG A HH21 24 ATOM 33071 H HH22 . ARG A 1 26 ? 8.776 4.439 10.874 1.00 0.00 ? 26 ARG A HH22 24 ATOM 33072 N N . HIS A 1 27 ? 7.357 0.805 3.774 1.00 0.00 ? 27 HIS A N 24 ATOM 33073 C CA . HIS A 1 27 ? 8.233 0.311 2.726 1.00 0.00 ? 27 HIS A CA 24 ATOM 33074 C C . HIS A 1 27 ? 9.267 1.369 2.368 1.00 0.00 ? 27 HIS A C 24 ATOM 33075 O O . HIS A 1 27 ? 10.375 1.051 1.937 1.00 0.00 ? 27 HIS A O 24 ATOM 33076 C CB . HIS A 1 27 ? 7.419 -0.071 1.487 1.00 0.00 ? 27 HIS A CB 24 ATOM 33077 C CG . HIS A 1 27 ? 7.375 -1.545 1.234 1.00 0.00 ? 27 HIS A CG 24 ATOM 33078 N ND1 . HIS A 1 27 ? 8.500 -2.302 0.985 1.00 0.00 ? 27 HIS A ND1 24 ATOM 33079 C CD2 . HIS A 1 27 ? 6.329 -2.406 1.192 1.00 0.00 ? 27 HIS A CD2 24 ATOM 33080 C CE1 . HIS A 1 27 ? 8.151 -3.563 0.801 1.00 0.00 ? 27 HIS A CE1 24 ATOM 33081 N NE2 . HIS A 1 27 ? 6.840 -3.652 0.922 1.00 0.00 ? 27 HIS A NE2 24 ATOM 33082 H H . HIS A 1 27 ? 6.413 0.976 3.568 1.00 0.00 ? 27 HIS A H 24 ATOM 33083 H HA . HIS A 1 27 ? 8.742 -0.566 3.099 1.00 0.00 ? 27 HIS A HA 24 ATOM 33084 H HB2 . HIS A 1 27 ? 6.405 0.275 1.612 1.00 0.00 ? 27 HIS A HB2 24 ATOM 33085 H HB3 . HIS A 1 27 ? 7.853 0.404 0.620 1.00 0.00 ? 27 HIS A HB3 24 ATOM 33086 H HD1 . HIS A 1 27 ? 9.420 -1.965 0.948 1.00 0.00 ? 27 HIS A HD1 24 ATOM 33087 H HD2 . HIS A 1 27 ? 5.288 -2.158 1.344 1.00 0.00 ? 27 HIS A HD2 24 ATOM 33088 H HE1 . HIS A 1 27 ? 8.823 -4.381 0.589 1.00 0.00 ? 27 HIS A HE1 24 ATOM 33089 H HE2 . HIS A 1 27 ? 6.317 -4.476 0.833 1.00 0.00 ? 27 HIS A HE2 24 ATOM 33090 N N . LYS A 1 28 ? 8.893 2.632 2.559 1.00 0.00 ? 28 LYS A N 24 ATOM 33091 C CA . LYS A 1 28 ? 9.783 3.747 2.268 1.00 0.00 ? 28 LYS A CA 24 ATOM 33092 C C . LYS A 1 28 ? 10.890 3.838 3.311 1.00 0.00 ? 28 LYS A C 24 ATOM 33093 O O . LYS A 1 28 ? 12.005 4.269 3.013 1.00 0.00 ? 28 LYS A O 24 ATOM 33094 C CB . LYS A 1 28 ? 8.996 5.058 2.223 1.00 0.00 ? 28 LYS A CB 24 ATOM 33095 C CG . LYS A 1 28 ? 8.007 5.135 1.071 1.00 0.00 ? 28 LYS A CG 24 ATOM 33096 C CD . LYS A 1 28 ? 7.208 6.427 1.107 1.00 0.00 ? 28 LYS A CD 24 ATOM 33097 C CE . LYS A 1 28 ? 8.024 7.602 0.593 1.00 0.00 ? 28 LYS A CE 24 ATOM 33098 N NZ . LYS A 1 28 ? 7.173 8.609 -0.099 1.00 0.00 ? 28 LYS A NZ 24 ATOM 33099 H H . LYS A 1 28 ? 7.997 2.818 2.909 1.00 0.00 ? 28 LYS A H 24 ATOM 33100 H HA . LYS A 1 28 ? 10.228 3.571 1.302 1.00 0.00 ? 28 LYS A HA 24 ATOM 33101 H HB2 . LYS A 1 28 ? 8.449 5.167 3.147 1.00 0.00 ? 28 LYS A HB2 24 ATOM 33102 H HB3 . LYS A 1 28 ? 9.692 5.879 2.127 1.00 0.00 ? 28 LYS A HB3 24 ATOM 33103 H HG2 . LYS A 1 28 ? 8.550 5.086 0.138 1.00 0.00 ? 28 LYS A HG2 24 ATOM 33104 H HG3 . LYS A 1 28 ? 7.326 4.299 1.138 1.00 0.00 ? 28 LYS A HG3 24 ATOM 33105 H HD2 . LYS A 1 28 ? 6.330 6.314 0.489 1.00 0.00 ? 28 LYS A HD2 24 ATOM 33106 H HD3 . LYS A 1 28 ? 6.910 6.626 2.127 1.00 0.00 ? 28 LYS A HD3 24 ATOM 33107 H HE2 . LYS A 1 28 ? 8.517 8.074 1.430 1.00 0.00 ? 28 LYS A HE2 24 ATOM 33108 H HE3 . LYS A 1 28 ? 8.766 7.232 -0.099 1.00 0.00 ? 28 LYS A HE3 24 ATOM 33109 H HZ1 . LYS A 1 28 ? 6.289 8.168 -0.425 1.00 0.00 ? 28 LYS A HZ1 24 ATOM 33110 H HZ2 . LYS A 1 28 ? 6.939 9.387 0.551 1.00 0.00 ? 28 LYS A HZ2 24 ATOM 33111 H HZ3 . LYS A 1 28 ? 7.677 8.998 -0.922 1.00 0.00 ? 28 LYS A HZ3 24 ATOM 33112 N N . GLN A 1 29 ? 10.576 3.427 4.534 1.00 0.00 ? 29 GLN A N 24 ATOM 33113 C CA . GLN A 1 29 ? 11.543 3.458 5.624 1.00 0.00 ? 29 GLN A CA 24 ATOM 33114 C C . GLN A 1 29 ? 12.623 2.401 5.416 1.00 0.00 ? 29 GLN A C 24 ATOM 33115 O O . GLN A 1 29 ? 13.803 2.649 5.662 1.00 0.00 ? 29 GLN A O 24 ATOM 33116 C CB . GLN A 1 29 ? 10.842 3.234 6.964 1.00 0.00 ? 29 GLN A CB 24 ATOM 33117 C CG . GLN A 1 29 ? 11.765 3.373 8.164 1.00 0.00 ? 29 GLN A CG 24 ATOM 33118 C CD . GLN A 1 29 ? 11.753 4.772 8.749 1.00 0.00 ? 29 GLN A CD 24 ATOM 33119 O OE1 . GLN A 1 29 ? 10.973 5.074 9.652 1.00 0.00 ? 29 GLN A OE1 24 ATOM 33120 N NE2 . GLN A 1 29 ? 12.622 5.636 8.235 1.00 0.00 ? 29 GLN A NE2 24 ATOM 33121 H H . GLN A 1 29 ? 9.671 3.092 4.708 1.00 0.00 ? 29 GLN A H 24 ATOM 33122 H HA . GLN A 1 29 ? 12.006 4.433 5.627 1.00 0.00 ? 29 GLN A HA 24 ATOM 33123 H HB2 . GLN A 1 29 ? 10.044 3.954 7.066 1.00 0.00 ? 29 GLN A HB2 24 ATOM 33124 H HB3 . GLN A 1 29 ? 10.422 2.240 6.976 1.00 0.00 ? 29 GLN A HB3 24 ATOM 33125 H HG2 . GLN A 1 29 ? 11.451 2.679 8.928 1.00 0.00 ? 29 GLN A HG2 24 ATOM 33126 H HG3 . GLN A 1 29 ? 12.773 3.136 7.856 1.00 0.00 ? 29 GLN A HG3 24 ATOM 33127 H HE21 . GLN A 1 29 ? 13.213 5.327 7.518 1.00 0.00 ? 29 GLN A HE21 24 ATOM 33128 H HE22 . GLN A 1 29 ? 12.636 6.548 8.595 1.00 0.00 ? 29 GLN A HE22 24 ATOM 33129 N N . SER A 1 30 ? 12.210 1.223 4.960 1.00 0.00 ? 30 SER A N 24 ATOM 33130 C CA . SER A 1 30 ? 13.144 0.129 4.717 1.00 0.00 ? 30 SER A CA 24 ATOM 33131 C C . SER A 1 30 ? 14.060 0.447 3.537 1.00 0.00 ? 30 SER A C 24 ATOM 33132 O O . SER A 1 30 ? 15.267 0.220 3.597 1.00 0.00 ? 30 SER A O 24 ATOM 33133 C CB . SER A 1 30 ? 12.382 -1.171 4.450 1.00 0.00 ? 30 SER A CB 24 ATOM 33134 O OG . SER A 1 30 ? 12.983 -2.263 5.124 1.00 0.00 ? 30 SER A OG 24 ATOM 33135 H H . SER A 1 30 ? 11.255 1.085 4.782 1.00 0.00 ? 30 SER A H 24 ATOM 33136 H HA . SER A 1 30 ? 13.748 0.006 5.603 1.00 0.00 ? 30 SER A HA 24 ATOM 33137 H HB2 . SER A 1 30 ? 11.365 -1.067 4.796 1.00 0.00 ? 30 SER A HB2 24 ATOM 33138 H HB3 . SER A 1 30 ? 12.383 -1.374 3.389 1.00 0.00 ? 30 SER A HB3 24 ATOM 33139 H HG . SER A 1 30 ? 12.301 -2.858 5.443 1.00 0.00 ? 30 SER A HG 24 ATOM 33140 N N . ILE A 1 31 ? 13.473 0.973 2.467 1.00 0.00 ? 31 ILE A N 24 ATOM 33141 C CA . ILE A 1 31 ? 14.229 1.324 1.268 1.00 0.00 ? 31 ILE A CA 24 ATOM 33142 C C . ILE A 1 31 ? 15.124 2.534 1.515 1.00 0.00 ? 31 ILE A C 24 ATOM 33143 O O . ILE A 1 31 ? 16.148 2.708 0.852 1.00 0.00 ? 31 ILE A O 24 ATOM 33144 C CB . ILE A 1 31 ? 13.290 1.618 0.080 1.00 0.00 ? 31 ILE A CB 24 ATOM 33145 C CG1 . ILE A 1 31 ? 14.083 2.006 -1.167 1.00 0.00 ? 31 ILE A CG1 24 ATOM 33146 C CG2 . ILE A 1 31 ? 12.314 2.730 0.432 1.00 0.00 ? 31 ILE A CG2 24 ATOM 33147 C CD1 . ILE A 1 31 ? 14.778 0.843 -1.831 1.00 0.00 ? 31 ILE A CD1 24 ATOM 33148 H H . ILE A 1 31 ? 12.505 1.126 2.484 1.00 0.00 ? 31 ILE A H 24 ATOM 33149 H HA . ILE A 1 31 ? 14.850 0.478 1.007 1.00 0.00 ? 31 ILE A HA 24 ATOM 33150 H HB . ILE A 1 31 ? 12.725 0.719 -0.128 1.00 0.00 ? 31 ILE A HB 24 ATOM 33151 H HG12 . ILE A 1 31 ? 13.406 2.440 -1.890 1.00 0.00 ? 31 ILE A HG12 24 ATOM 33152 H HG13 . ILE A 1 31 ? 14.833 2.736 -0.898 1.00 0.00 ? 31 ILE A HG13 24 ATOM 33153 H HG21 . ILE A 1 31 ? 11.875 2.539 1.397 1.00 0.00 ? 31 ILE A HG21 24 ATOM 33154 H HG22 . ILE A 1 31 ? 12.840 3.673 0.458 1.00 0.00 ? 31 ILE A HG22 24 ATOM 33155 H HG23 . ILE A 1 31 ? 11.536 2.774 -0.314 1.00 0.00 ? 31 ILE A HG23 24 ATOM 33156 H HD11 . ILE A 1 31 ? 15.221 0.210 -1.079 1.00 0.00 ? 31 ILE A HD11 24 ATOM 33157 H HD12 . ILE A 1 31 ? 14.058 0.276 -2.401 1.00 0.00 ? 31 ILE A HD12 24 ATOM 33158 H HD13 . ILE A 1 31 ? 15.549 1.212 -2.492 1.00 0.00 ? 31 ILE A HD13 24 ATOM 33159 N N . LYS A 1 32 ? 14.734 3.369 2.473 1.00 0.00 ? 32 LYS A N 24 ATOM 33160 C CA . LYS A 1 32 ? 15.505 4.562 2.806 1.00 0.00 ? 32 LYS A CA 24 ATOM 33161 C C . LYS A 1 32 ? 16.704 4.212 3.681 1.00 0.00 ? 32 LYS A C 24 ATOM 33162 O O . LYS A 1 32 ? 17.754 4.847 3.595 1.00 0.00 ? 32 LYS A O 24 ATOM 33163 C CB . LYS A 1 32 ? 14.618 5.585 3.521 1.00 0.00 ? 32 LYS A CB 24 ATOM 33164 C CG . LYS A 1 32 ? 14.052 6.650 2.596 1.00 0.00 ? 32 LYS A CG 24 ATOM 33165 C CD . LYS A 1 32 ? 13.631 7.890 3.368 1.00 0.00 ? 32 LYS A CD 24 ATOM 33166 C CE . LYS A 1 32 ? 14.808 8.520 4.096 1.00 0.00 ? 32 LYS A CE 24 ATOM 33167 N NZ . LYS A 1 32 ? 14.504 9.906 4.546 1.00 0.00 ? 32 LYS A NZ 24 ATOM 33168 H H . LYS A 1 32 ? 13.911 3.178 2.968 1.00 0.00 ? 32 LYS A H 24 ATOM 33169 H HA . LYS A 1 32 ? 15.863 4.993 1.883 1.00 0.00 ? 32 LYS A HA 24 ATOM 33170 H HB2 . LYS A 1 32 ? 13.794 5.066 3.986 1.00 0.00 ? 32 LYS A HB2 24 ATOM 33171 H HB3 . LYS A 1 32 ? 15.202 6.075 4.286 1.00 0.00 ? 32 LYS A HB3 24 ATOM 33172 H HG2 . LYS A 1 32 ? 14.808 6.926 1.876 1.00 0.00 ? 32 LYS A HG2 24 ATOM 33173 H HG3 . LYS A 1 32 ? 13.192 6.246 2.083 1.00 0.00 ? 32 LYS A HG3 24 ATOM 33174 H HD2 . LYS A 1 32 ? 13.223 8.611 2.675 1.00 0.00 ? 32 LYS A HD2 24 ATOM 33175 H HD3 . LYS A 1 32 ? 12.877 7.615 4.090 1.00 0.00 ? 32 LYS A HD3 24 ATOM 33176 H HE2 . LYS A 1 32 ? 15.045 7.915 4.959 1.00 0.00 ? 32 LYS A HE2 24 ATOM 33177 H HE3 . LYS A 1 32 ? 15.656 8.544 3.429 1.00 0.00 ? 32 LYS A HE3 24 ATOM 33178 H HZ1 . LYS A 1 32 ? 13.476 10.058 4.571 1.00 0.00 ? 32 LYS A HZ1 24 ATOM 33179 H HZ2 . LYS A 1 32 ? 14.889 10.065 5.500 1.00 0.00 ? 32 LYS A HZ2 24 ATOM 33180 H HZ3 . LYS A 1 32 ? 14.930 10.595 3.893 1.00 0.00 ? 32 LYS A HZ3 24 ATOM 33181 N N . LYS A 1 33 ? 16.539 3.197 4.525 1.00 0.00 ? 33 LYS A N 24 ATOM 33182 C CA . LYS A 1 33 ? 17.608 2.762 5.415 1.00 0.00 ? 33 LYS A CA 24 ATOM 33183 C C . LYS A 1 33 ? 18.625 1.909 4.665 1.00 0.00 ? 33 LYS A C 24 ATOM 33184 O O . LYS A 1 33 ? 19.812 1.907 4.992 1.00 0.00 ? 33 LYS A O 24 ATOM 33185 C CB . LYS A 1 33 ? 17.031 1.974 6.592 1.00 0.00 ? 33 LYS A CB 24 ATOM 33186 C CG . LYS A 1 33 ? 18.088 1.444 7.546 1.00 0.00 ? 33 LYS A CG 24 ATOM 33187 C CD . LYS A 1 33 ? 17.473 0.583 8.637 1.00 0.00 ? 33 LYS A CD 24 ATOM 33188 C CE . LYS A 1 33 ? 18.145 -0.778 8.719 1.00 0.00 ? 33 LYS A CE 24 ATOM 33189 N NZ . LYS A 1 33 ? 17.208 -1.834 9.192 1.00 0.00 ? 33 LYS A NZ 24 ATOM 33190 H H . LYS A 1 33 ? 15.678 2.730 4.547 1.00 0.00 ? 33 LYS A H 24 ATOM 33191 H HA . LYS A 1 33 ? 18.105 3.644 5.792 1.00 0.00 ? 33 LYS A HA 24 ATOM 33192 H HB2 . LYS A 1 33 ? 16.364 2.616 7.149 1.00 0.00 ? 33 LYS A HB2 24 ATOM 33193 H HB3 . LYS A 1 33 ? 16.470 1.135 6.208 1.00 0.00 ? 33 LYS A HB3 24 ATOM 33194 H HG2 . LYS A 1 33 ? 18.796 0.849 6.988 1.00 0.00 ? 33 LYS A HG2 24 ATOM 33195 H HG3 . LYS A 1 33 ? 18.598 2.279 8.003 1.00 0.00 ? 33 LYS A HG3 24 ATOM 33196 H HD2 . LYS A 1 33 ? 17.585 1.085 9.586 1.00 0.00 ? 33 LYS A HD2 24 ATOM 33197 H HD3 . LYS A 1 33 ? 16.423 0.443 8.422 1.00 0.00 ? 33 LYS A HD3 24 ATOM 33198 H HE2 . LYS A 1 33 ? 18.509 -1.046 7.738 1.00 0.00 ? 33 LYS A HE2 24 ATOM 33199 H HE3 . LYS A 1 33 ? 18.978 -0.714 9.405 1.00 0.00 ? 33 LYS A HE3 24 ATOM 33200 H HZ1 . LYS A 1 33 ? 16.232 -1.472 9.190 1.00 0.00 ? 33 LYS A HZ1 24 ATOM 33201 H HZ2 . LYS A 1 33 ? 17.261 -2.664 8.568 1.00 0.00 ? 33 LYS A HZ2 24 ATOM 33202 H HZ3 . LYS A 1 33 ? 17.456 -2.125 10.160 1.00 0.00 ? 33 LYS A HZ3 24 ATOM 33203 N N . LEU A 1 34 ? 18.150 1.186 3.656 1.00 0.00 ? 34 LEU A N 24 ATOM 33204 C CA . LEU A 1 34 ? 19.016 0.329 2.856 1.00 0.00 ? 34 LEU A CA 24 ATOM 33205 C C . LEU A 1 34 ? 19.788 1.153 1.831 1.00 0.00 ? 34 LEU A C 24 ATOM 33206 O O . LEU A 1 34 ? 20.913 0.813 1.466 1.00 0.00 ? 34 LEU A O 24 ATOM 33207 C CB . LEU A 1 34 ? 18.189 -0.750 2.152 1.00 0.00 ? 34 LEU A CB 24 ATOM 33208 C CG . LEU A 1 34 ? 18.517 -2.187 2.560 1.00 0.00 ? 34 LEU A CG 24 ATOM 33209 C CD1 . LEU A 1 34 ? 17.485 -3.150 1.997 1.00 0.00 ? 34 LEU A CD1 24 ATOM 33210 C CD2 . LEU A 1 34 ? 19.915 -2.569 2.095 1.00 0.00 ? 34 LEU A CD2 24 ATOM 33211 H H . LEU A 1 34 ? 17.195 1.232 3.444 1.00 0.00 ? 34 LEU A H 24 ATOM 33212 H HA . LEU A 1 34 ? 19.721 -0.145 3.521 1.00 0.00 ? 34 LEU A HA 24 ATOM 33213 H HB2 . LEU A 1 34 ? 17.145 -0.567 2.364 1.00 0.00 ? 34 LEU A HB2 24 ATOM 33214 H HB3 . LEU A 1 34 ? 18.344 -0.657 1.088 1.00 0.00 ? 34 LEU A HB3 24 ATOM 33215 H HG . LEU A 1 34 ? 18.490 -2.263 3.638 1.00 0.00 ? 34 LEU A HG 24 ATOM 33216 H HD11 . LEU A 1 34 ? 16.505 -2.885 2.366 1.00 0.00 ? 34 LEU A HD11 24 ATOM 33217 H HD12 . LEU A 1 34 ? 17.491 -3.094 0.918 1.00 0.00 ? 34 LEU A HD12 24 ATOM 33218 H HD13 . LEU A 1 34 ? 17.725 -4.157 2.305 1.00 0.00 ? 34 LEU A HD13 24 ATOM 33219 H HD21 . LEU A 1 34 ? 20.523 -1.679 2.014 1.00 0.00 ? 34 LEU A HD21 24 ATOM 33220 H HD22 . LEU A 1 34 ? 20.360 -3.245 2.809 1.00 0.00 ? 34 LEU A HD22 24 ATOM 33221 H HD23 . LEU A 1 34 ? 19.853 -3.053 1.132 1.00 0.00 ? 34 LEU A HD23 24 ATOM 33222 N N . LYS A 1 35 ? 19.177 2.242 1.374 1.00 0.00 ? 35 LYS A N 24 ATOM 33223 C CA . LYS A 1 35 ? 19.811 3.117 0.395 1.00 0.00 ? 35 LYS A CA 24 ATOM 33224 C C . LYS A 1 35 ? 20.828 4.031 1.071 1.00 0.00 ? 35 LYS A C 24 ATOM 33225 O O . LYS A 1 35 ? 21.869 4.349 0.497 1.00 0.00 ? 35 LYS A O 24 ATOM 33226 C CB . LYS A 1 35 ? 18.756 3.954 -0.331 1.00 0.00 ? 35 LYS A CB 24 ATOM 33227 C CG . LYS A 1 35 ? 18.335 3.372 -1.671 1.00 0.00 ? 35 LYS A CG 24 ATOM 33228 C CD . LYS A 1 35 ? 17.661 4.417 -2.545 1.00 0.00 ? 35 LYS A CD 24 ATOM 33229 C CE . LYS A 1 35 ? 16.638 3.787 -3.477 1.00 0.00 ? 35 LYS A CE 24 ATOM 33230 N NZ . LYS A 1 35 ? 16.839 4.214 -4.890 1.00 0.00 ? 35 LYS A NZ 24 ATOM 33231 H H . LYS A 1 35 ? 18.281 2.463 1.704 1.00 0.00 ? 35 LYS A H 24 ATOM 33232 H HA . LYS A 1 35 ? 20.324 2.496 -0.323 1.00 0.00 ? 35 LYS A HA 24 ATOM 33233 H HB2 . LYS A 1 35 ? 17.880 4.031 0.294 1.00 0.00 ? 35 LYS A HB2 24 ATOM 33234 H HB3 . LYS A 1 35 ? 19.154 4.943 -0.503 1.00 0.00 ? 35 LYS A HB3 24 ATOM 33235 H HG2 . LYS A 1 35 ? 19.211 3.001 -2.183 1.00 0.00 ? 35 LYS A HG2 24 ATOM 33236 H HG3 . LYS A 1 35 ? 17.646 2.559 -1.499 1.00 0.00 ? 35 LYS A HG3 24 ATOM 33237 H HD2 . LYS A 1 35 ? 17.160 5.133 -1.911 1.00 0.00 ? 35 LYS A HD2 24 ATOM 33238 H HD3 . LYS A 1 35 ? 18.413 4.919 -3.136 1.00 0.00 ? 35 LYS A HD3 24 ATOM 33239 H HE2 . LYS A 1 35 ? 16.730 2.713 -3.419 1.00 0.00 ? 35 LYS A HE2 24 ATOM 33240 H HE3 . LYS A 1 35 ? 15.650 4.082 -3.158 1.00 0.00 ? 35 LYS A HE3 24 ATOM 33241 H HZ1 . LYS A 1 35 ? 17.727 4.749 -4.979 1.00 0.00 ? 35 LYS A HZ1 24 ATOM 33242 H HZ2 . LYS A 1 35 ? 16.885 3.382 -5.512 1.00 0.00 ? 35 LYS A HZ2 24 ATOM 33243 H HZ3 . LYS A 1 35 ? 16.050 4.818 -5.196 1.00 0.00 ? 35 LYS A HZ3 24 ATOM 33244 N N . GLN A 1 36 ? 20.519 4.447 2.295 1.00 0.00 ? 36 GLN A N 24 ATOM 33245 C CA . GLN A 1 36 ? 21.408 5.321 3.050 1.00 0.00 ? 36 GLN A CA 24 ATOM 33246 C C . GLN A 1 36 ? 22.594 4.537 3.597 1.00 0.00 ? 36 GLN A C 24 ATOM 33247 O O . GLN A 1 36 ? 23.691 5.074 3.747 1.00 0.00 ? 36 GLN A O 24 ATOM 33248 C CB . GLN A 1 36 ? 20.649 5.990 4.198 1.00 0.00 ? 36 GLN A CB 24 ATOM 33249 C CG . GLN A 1 36 ? 21.519 6.889 5.061 1.00 0.00 ? 36 GLN A CG 24 ATOM 33250 C CD . GLN A 1 36 ? 22.243 7.948 4.252 1.00 0.00 ? 36 GLN A CD 24 ATOM 33251 O OE1 . GLN A 1 36 ? 21.623 8.862 3.709 1.00 0.00 ? 36 GLN A OE1 24 ATOM 33252 N NE2 . GLN A 1 36 ? 23.564 7.830 4.170 1.00 0.00 ? 36 GLN A NE2 24 ATOM 33253 H H . GLN A 1 36 ? 19.674 4.157 2.701 1.00 0.00 ? 36 GLN A H 24 ATOM 33254 H HA . GLN A 1 36 ? 21.773 6.083 2.379 1.00 0.00 ? 36 GLN A HA 24 ATOM 33255 H HB2 . GLN A 1 36 ? 19.848 6.586 3.787 1.00 0.00 ? 36 GLN A HB2 24 ATOM 33256 H HB3 . GLN A 1 36 ? 20.225 5.223 4.829 1.00 0.00 ? 36 GLN A HB3 24 ATOM 33257 H HG2 . GLN A 1 36 ? 20.895 7.381 5.791 1.00 0.00 ? 36 GLN A HG2 24 ATOM 33258 H HG3 . GLN A 1 36 ? 22.253 6.279 5.568 1.00 0.00 ? 36 GLN A HG3 24 ATOM 33259 H HE21 . GLN A 1 36 ? 23.991 7.077 4.628 1.00 0.00 ? 36 GLN A HE21 24 ATOM 33260 H HE22 . GLN A 1 36 ? 24.056 8.502 3.653 1.00 0.00 ? 36 GLN A HE22 24 ATOM 33261 N N . SER A 1 37 ? 22.367 3.260 3.890 1.00 0.00 ? 37 SER A N 24 ATOM 33262 C CA . SER A 1 37 ? 23.418 2.398 4.416 1.00 0.00 ? 37 SER A CA 24 ATOM 33263 C C . SER A 1 37 ? 24.424 2.050 3.325 1.00 0.00 ? 37 SER A C 24 ATOM 33264 O O . SER A 1 37 ? 25.591 1.777 3.605 1.00 0.00 ? 37 SER A O 24 ATOM 33265 C CB . SER A 1 37 ? 22.816 1.119 5.000 1.00 0.00 ? 37 SER A CB 24 ATOM 33266 O OG . SER A 1 37 ? 23.752 0.444 5.822 1.00 0.00 ? 37 SER A OG 24 ATOM 33267 H H . SER A 1 37 ? 21.472 2.887 3.746 1.00 0.00 ? 37 SER A H 24 ATOM 33268 H HA . SER A 1 37 ? 23.928 2.938 5.200 1.00 0.00 ? 37 SER A HA 24 ATOM 33269 H HB2 . SER A 1 37 ? 21.950 1.371 5.594 1.00 0.00 ? 37 SER A HB2 24 ATOM 33270 H HB3 . SER A 1 37 ? 22.521 0.463 4.195 1.00 0.00 ? 37 SER A HB3 24 ATOM 33271 H HG . SER A 1 37 ? 23.478 -0.468 5.938 1.00 0.00 ? 37 SER A HG 24 ATOM 33272 N N . GLU A 1 38 ? 23.963 2.065 2.077 1.00 0.00 ? 38 GLU A N 24 ATOM 33273 C CA . GLU A 1 38 ? 24.822 1.754 0.942 1.00 0.00 ? 38 GLU A CA 24 ATOM 33274 C C . GLU A 1 38 ? 25.865 2.847 0.737 1.00 0.00 ? 38 GLU A C 24 ATOM 33275 O O . GLU A 1 38 ? 26.986 2.577 0.306 1.00 0.00 ? 38 GLU A O 24 ATOM 33276 C CB . GLU A 1 38 ? 23.985 1.587 -0.327 1.00 0.00 ? 38 GLU A CB 24 ATOM 33277 C CG . GLU A 1 38 ? 24.163 0.236 -1.001 1.00 0.00 ? 38 GLU A CG 24 ATOM 33278 C CD . GLU A 1 38 ? 23.123 -0.021 -2.074 1.00 0.00 ? 38 GLU A CD 24 ATOM 33279 O OE1 . GLU A 1 38 ? 22.465 0.948 -2.509 1.00 0.00 ? 38 GLU A OE1 24 ATOM 33280 O OE2 . GLU A 1 38 ? 22.968 -1.191 -2.481 1.00 0.00 ? 38 GLU A OE2 24 ATOM 33281 H H . GLU A 1 38 ? 23.022 2.293 1.917 1.00 0.00 ? 38 GLU A H 24 ATOM 33282 H HA . GLU A 1 38 ? 25.328 0.824 1.154 1.00 0.00 ? 38 GLU A HA 24 ATOM 33283 H HB2 . GLU A 1 38 ? 22.941 1.704 -0.073 1.00 0.00 ? 38 GLU A HB2 24 ATOM 33284 H HB3 . GLU A 1 38 ? 24.263 2.356 -1.032 1.00 0.00 ? 38 GLU A HB3 24 ATOM 33285 H HG2 . GLU A 1 38 ? 25.142 0.201 -1.454 1.00 0.00 ? 38 GLU A HG2 24 ATOM 33286 H HG3 . GLU A 1 38 ? 24.085 -0.538 -0.251 1.00 0.00 ? 38 GLU A HG3 24 ATOM 33287 N N . ASP A 1 39 ? 25.489 4.082 1.051 1.00 0.00 ? 39 ASP A N 24 ATOM 33288 C CA . ASP A 1 39 ? 26.391 5.218 0.903 1.00 0.00 ? 39 ASP A CA 24 ATOM 33289 C C . ASP A 1 39 ? 27.599 5.073 1.822 1.00 0.00 ? 39 ASP A C 24 ATOM 33290 O O . ASP A 1 39 ? 28.675 5.601 1.539 1.00 0.00 ? 39 ASP A O 24 ATOM 33291 C CB . ASP A 1 39 ? 25.656 6.523 1.211 1.00 0.00 ? 39 ASP A CB 24 ATOM 33292 C CG . ASP A 1 39 ? 26.415 7.743 0.727 1.00 0.00 ? 39 ASP A CG 24 ATOM 33293 O OD1 . ASP A 1 39 ? 27.649 7.787 0.918 1.00 0.00 ? 39 ASP A OD1 24 ATOM 33294 O OD2 . ASP A 1 39 ? 25.778 8.654 0.158 1.00 0.00 ? 39 ASP A OD2 24 ATOM 33295 H H . ASP A 1 39 ? 24.582 4.234 1.392 1.00 0.00 ? 39 ASP A H 24 ATOM 33296 H HA . ASP A 1 39 ? 26.732 5.239 -0.120 1.00 0.00 ? 39 ASP A HA 24 ATOM 33297 H HB2 . ASP A 1 39 ? 24.691 6.509 0.725 1.00 0.00 ? 39 ASP A HB2 24 ATOM 33298 H HB3 . ASP A 1 39 ? 25.515 6.608 2.277 1.00 0.00 ? 39 ASP A HB3 24 ATOM 33299 N N . ASP A 1 40 ? 27.414 4.354 2.925 1.00 0.00 ? 40 ASP A N 24 ATOM 33300 C CA . ASP A 1 40 ? 28.489 4.137 3.886 1.00 0.00 ? 40 ASP A CA 24 ATOM 33301 C C . ASP A 1 40 ? 28.853 5.437 4.597 1.00 0.00 ? 40 ASP A C 24 ATOM 33302 O O . ASP A 1 40 ? 28.967 6.489 3.969 1.00 0.00 ? 40 ASP A O 24 ATOM 33303 C CB . ASP A 1 40 ? 29.722 3.565 3.184 1.00 0.00 ? 40 ASP A CB 24 ATOM 33304 C CG . ASP A 1 40 ? 30.265 2.333 3.882 1.00 0.00 ? 40 ASP A CG 24 ATOM 33305 O OD1 . ASP A 1 40 ? 29.799 2.032 5.001 1.00 0.00 ? 40 ASP A OD1 24 ATOM 33306 O OD2 . ASP A 1 40 ? 31.155 1.670 3.310 1.00 0.00 ? 40 ASP A OD2 24 ATOM 33307 H H . ASP A 1 40 ? 26.534 3.958 3.095 1.00 0.00 ? 40 ASP A H 24 ATOM 33308 H HA . ASP A 1 40 ? 28.140 3.426 4.618 1.00 0.00 ? 40 ASP A HA 24 ATOM 33309 H HB2 . ASP A 1 40 ? 29.459 3.295 2.171 1.00 0.00 ? 40 ASP A HB2 24 ATOM 33310 H HB3 . ASP A 1 40 ? 30.498 4.316 3.162 1.00 0.00 ? 40 ASP A HB3 24 ATOM 33311 N N . ASP A 1 41 ? 29.035 5.355 5.911 1.00 0.00 ? 41 ASP A N 24 ATOM 33312 C CA . ASP A 1 41 ? 29.387 6.524 6.708 1.00 0.00 ? 41 ASP A CA 24 ATOM 33313 C C . ASP A 1 41 ? 29.543 6.154 8.180 1.00 0.00 ? 41 ASP A C 24 ATOM 33314 O O . ASP A 1 41 ? 29.708 7.074 9.007 1.00 0.00 ? 41 ASP A O 24 ATOM 33315 C CB . ASP A 1 41 ? 28.322 7.612 6.555 1.00 0.00 ? 41 ASP A CB 24 ATOM 33316 C CG . ASP A 1 41 ? 28.917 9.006 6.533 1.00 0.00 ? 41 ASP A CG 24 ATOM 33317 O OD1 . ASP A 1 41 ? 29.649 9.354 7.485 1.00 0.00 ? 41 ASP A OD1 24 ATOM 33318 O OD2 . ASP A 1 41 ? 28.654 9.749 5.565 1.00 0.00 ? 41 ASP A OD2 24 ATOM 33319 O OXT . ASP A 1 41 ? 29.498 4.945 8.491 1.00 0.00 ? 41 ASP A OXT 24 ATOM 33320 H H . ASP A 1 41 ? 28.931 4.488 6.355 1.00 0.00 ? 41 ASP A H 24 ATOM 33321 H HA . ASP A 1 41 ? 30.330 6.903 6.343 1.00 0.00 ? 41 ASP A HA 24 ATOM 33322 H HB2 . ASP A 1 41 ? 27.786 7.455 5.630 1.00 0.00 ? 41 ASP A HB2 24 ATOM 33323 H HB3 . ASP A 1 41 ? 27.630 7.548 7.381 1.00 0.00 ? 41 ASP A HB3 24 ATOM 33324 N N . ALA B 1 1 ? 34.153 -9.228 2.748 1.00 0.00 ? 1 ALA B N 24 ATOM 33325 C CA . ALA B 1 1 ? 32.839 -8.607 2.443 1.00 0.00 ? 1 ALA B CA 24 ATOM 33326 C C . ALA B 1 1 ? 31.953 -9.563 1.653 1.00 0.00 ? 1 ALA B C 24 ATOM 33327 O O . ALA B 1 1 ? 32.426 -10.568 1.121 1.00 0.00 ? 1 ALA B O 24 ATOM 33328 C CB . ALA B 1 1 ? 33.034 -7.310 1.674 1.00 0.00 ? 1 ALA B CB 24 ATOM 33329 H H1 . ALA B 1 1 ? 34.507 -9.666 1.874 1.00 0.00 ? 1 ALA B H1 24 ATOM 33330 H H2 . ALA B 1 1 ? 34.791 -8.473 3.075 1.00 0.00 ? 1 ALA B H2 24 ATOM 33331 H H3 . ALA B 1 1 ? 34.003 -9.941 3.489 1.00 0.00 ? 1 ALA B H3 24 ATOM 33332 H HA . ALA B 1 1 ? 32.350 -8.372 3.378 1.00 0.00 ? 1 ALA B HA 24 ATOM 33333 H HB1 . ALA B 1 1 ? 32.910 -6.472 2.342 1.00 0.00 ? 1 ALA B HB1 24 ATOM 33334 H HB2 . ALA B 1 1 ? 34.027 -7.289 1.249 1.00 0.00 ? 1 ALA B HB2 24 ATOM 33335 H HB3 . ALA B 1 1 ? 32.302 -7.249 0.881 1.00 0.00 ? 1 ALA B HB3 24 ATOM 33336 N N . LEU B 1 2 ? 30.664 -9.243 1.578 1.00 0.00 ? 2 LEU B N 24 ATOM 33337 C CA . LEU B 1 2 ? 29.712 -10.074 0.851 1.00 0.00 ? 2 LEU B CA 24 ATOM 33338 C C . LEU B 1 2 ? 28.330 -9.429 0.836 1.00 0.00 ? 2 LEU B C 24 ATOM 33339 O O . LEU B 1 2 ? 27.312 -10.117 0.916 1.00 0.00 ? 2 LEU B O 24 ATOM 33340 C CB . LEU B 1 2 ? 29.631 -11.466 1.480 1.00 0.00 ? 2 LEU B CB 24 ATOM 33341 C CG . LEU B 1 2 ? 28.708 -12.450 0.759 1.00 0.00 ? 2 LEU B CG 24 ATOM 33342 C CD1 . LEU B 1 2 ? 29.466 -13.714 0.382 1.00 0.00 ? 2 LEU B CD1 24 ATOM 33343 C CD2 . LEU B 1 2 ? 27.506 -12.787 1.628 1.00 0.00 ? 2 LEU B CD2 24 ATOM 33344 H H . LEU B 1 2 ? 30.348 -8.429 2.022 1.00 0.00 ? 2 LEU B H 24 ATOM 33345 H HA . LEU B 1 2 ? 30.062 -10.167 -0.166 1.00 0.00 ? 2 LEU B HA 24 ATOM 33346 H HB2 . LEU B 1 2 ? 30.626 -11.886 1.500 1.00 0.00 ? 2 LEU B HB2 24 ATOM 33347 H HB3 . LEU B 1 2 ? 29.283 -11.360 2.496 1.00 0.00 ? 2 LEU B HB3 24 ATOM 33348 H HG . LEU B 1 2 ? 28.347 -11.994 -0.151 1.00 0.00 ? 2 LEU B HG 24 ATOM 33349 H HD11 . LEU B 1 2 ? 30.467 -13.455 0.073 1.00 0.00 ? 2 LEU B HD11 24 ATOM 33350 H HD12 . LEU B 1 2 ? 29.512 -14.374 1.236 1.00 0.00 ? 2 LEU B HD12 24 ATOM 33351 H HD13 . LEU B 1 2 ? 28.955 -14.211 -0.430 1.00 0.00 ? 2 LEU B HD13 24 ATOM 33352 H HD21 . LEU B 1 2 ? 27.748 -12.603 2.665 1.00 0.00 ? 2 LEU B HD21 24 ATOM 33353 H HD22 . LEU B 1 2 ? 26.669 -12.168 1.340 1.00 0.00 ? 2 LEU B HD22 24 ATOM 33354 H HD23 . LEU B 1 2 ? 27.247 -13.827 1.498 1.00 0.00 ? 2 LEU B HD23 24 ATOM 33355 N N . LYS B 1 3 ? 28.300 -8.105 0.736 1.00 0.00 ? 3 LYS B N 24 ATOM 33356 C CA . LYS B 1 3 ? 27.043 -7.368 0.711 1.00 0.00 ? 3 LYS B CA 24 ATOM 33357 C C . LYS B 1 3 ? 26.654 -6.998 -0.717 1.00 0.00 ? 3 LYS B C 24 ATOM 33358 O O . LYS B 1 3 ? 26.930 -5.893 -1.180 1.00 0.00 ? 3 LYS B O 24 ATOM 33359 C CB . LYS B 1 3 ? 27.149 -6.105 1.567 1.00 0.00 ? 3 LYS B CB 24 ATOM 33360 C CG . LYS B 1 3 ? 26.345 -6.174 2.855 1.00 0.00 ? 3 LYS B CG 24 ATOM 33361 C CD . LYS B 1 3 ? 27.143 -6.825 3.974 1.00 0.00 ? 3 LYS B CD 24 ATOM 33362 C CE . LYS B 1 3 ? 26.811 -8.302 4.110 1.00 0.00 ? 3 LYS B CE 24 ATOM 33363 N NZ . LYS B 1 3 ? 25.837 -8.553 5.208 1.00 0.00 ? 3 LYS B NZ 24 ATOM 33364 H H . LYS B 1 3 ? 29.145 -7.611 0.675 1.00 0.00 ? 3 LYS B H 24 ATOM 33365 H HA . LYS B 1 3 ? 26.277 -8.008 1.124 1.00 0.00 ? 3 LYS B HA 24 ATOM 33366 H HB2 . LYS B 1 3 ? 28.185 -5.942 1.822 1.00 0.00 ? 3 LYS B HB2 24 ATOM 33367 H HB3 . LYS B 1 3 ? 26.792 -5.263 0.991 1.00 0.00 ? 3 LYS B HB3 24 ATOM 33368 H HG2 . LYS B 1 3 ? 26.075 -5.172 3.154 1.00 0.00 ? 3 LYS B HG2 24 ATOM 33369 H HG3 . LYS B 1 3 ? 25.450 -6.754 2.679 1.00 0.00 ? 3 LYS B HG3 24 ATOM 33370 H HD2 . LYS B 1 3 ? 28.196 -6.721 3.759 1.00 0.00 ? 3 LYS B HD2 24 ATOM 33371 H HD3 . LYS B 1 3 ? 26.913 -6.325 4.904 1.00 0.00 ? 3 LYS B HD3 24 ATOM 33372 H HE2 . LYS B 1 3 ? 26.388 -8.649 3.179 1.00 0.00 ? 3 LYS B HE2 24 ATOM 33373 H HE3 . LYS B 1 3 ? 27.722 -8.844 4.317 1.00 0.00 ? 3 LYS B HE3 24 ATOM 33374 H HZ1 . LYS B 1 3 ? 24.994 -7.956 5.082 1.00 0.00 ? 3 LYS B HZ1 24 ATOM 33375 H HZ2 . LYS B 1 3 ? 25.545 -9.552 5.206 1.00 0.00 ? 3 LYS B HZ2 24 ATOM 33376 H HZ3 . LYS B 1 3 ? 26.270 -8.334 6.128 1.00 0.00 ? 3 LYS B HZ3 24 ATOM 33377 N N . LYS B 1 4 ? 26.013 -7.933 -1.410 1.00 0.00 ? 4 LYS B N 24 ATOM 33378 C CA . LYS B 1 4 ? 25.585 -7.708 -2.787 1.00 0.00 ? 4 LYS B CA 24 ATOM 33379 C C . LYS B 1 4 ? 24.090 -7.967 -2.947 1.00 0.00 ? 4 LYS B C 24 ATOM 33380 O O . LYS B 1 4 ? 23.405 -7.260 -3.686 1.00 0.00 ? 4 LYS B O 24 ATOM 33381 C CB . LYS B 1 4 ? 26.375 -8.604 -3.742 1.00 0.00 ? 4 LYS B CB 24 ATOM 33382 C CG . LYS B 1 4 ? 26.774 -7.912 -5.036 1.00 0.00 ? 4 LYS B CG 24 ATOM 33383 C CD . LYS B 1 4 ? 26.947 -8.909 -6.171 1.00 0.00 ? 4 LYS B CD 24 ATOM 33384 C CE . LYS B 1 4 ? 25.722 -8.948 -7.069 1.00 0.00 ? 4 LYS B CE 24 ATOM 33385 N NZ . LYS B 1 4 ? 25.418 -10.329 -7.534 1.00 0.00 ? 4 LYS B NZ 24 ATOM 33386 H H . LYS B 1 4 ? 25.825 -8.795 -0.985 1.00 0.00 ? 4 LYS B H 24 ATOM 33387 H HA . LYS B 1 4 ? 25.786 -6.674 -3.029 1.00 0.00 ? 4 LYS B HA 24 ATOM 33388 H HB2 . LYS B 1 4 ? 27.276 -8.936 -3.246 1.00 0.00 ? 4 LYS B HB2 24 ATOM 33389 H HB3 . LYS B 1 4 ? 25.773 -9.465 -3.991 1.00 0.00 ? 4 LYS B HB3 24 ATOM 33390 H HG2 . LYS B 1 4 ? 26.003 -7.205 -5.306 1.00 0.00 ? 4 LYS B HG2 24 ATOM 33391 H HG3 . LYS B 1 4 ? 27.706 -7.390 -4.881 1.00 0.00 ? 4 LYS B HG3 24 ATOM 33392 H HD2 . LYS B 1 4 ? 27.805 -8.622 -6.761 1.00 0.00 ? 4 LYS B HD2 24 ATOM 33393 H HD3 . LYS B 1 4 ? 27.107 -9.892 -5.751 1.00 0.00 ? 4 LYS B HD3 24 ATOM 33394 H HE2 . LYS B 1 4 ? 24.873 -8.569 -6.518 1.00 0.00 ? 4 LYS B HE2 24 ATOM 33395 H HE3 . LYS B 1 4 ? 25.901 -8.319 -7.928 1.00 0.00 ? 4 LYS B HE3 24 ATOM 33396 H HZ1 . LYS B 1 4 ? 26.023 -11.015 -7.039 1.00 0.00 ? 4 LYS B HZ1 24 ATOM 33397 H HZ2 . LYS B 1 4 ? 24.421 -10.561 -7.341 1.00 0.00 ? 4 LYS B HZ2 24 ATOM 33398 H HZ3 . LYS B 1 4 ? 25.589 -10.409 -8.557 1.00 0.00 ? 4 LYS B HZ3 24 ATOM 33399 N N . HIS B 1 5 ? 23.591 -8.984 -2.252 1.00 0.00 ? 5 HIS B N 24 ATOM 33400 C CA . HIS B 1 5 ? 22.177 -9.336 -2.321 1.00 0.00 ? 5 HIS B CA 24 ATOM 33401 C C . HIS B 1 5 ? 21.299 -8.174 -1.867 1.00 0.00 ? 5 HIS B C 24 ATOM 33402 O O . HIS B 1 5 ? 20.141 -8.066 -2.272 1.00 0.00 ? 5 HIS B O 24 ATOM 33403 C CB . HIS B 1 5 ? 21.898 -10.566 -1.455 1.00 0.00 ? 5 HIS B CB 24 ATOM 33404 C CG . HIS B 1 5 ? 22.185 -10.351 -0.001 1.00 0.00 ? 5 HIS B CG 24 ATOM 33405 N ND1 . HIS B 1 5 ? 21.494 -10.992 1.006 1.00 0.00 ? 5 HIS B ND1 24 ATOM 33406 C CD2 . HIS B 1 5 ? 23.097 -9.561 0.615 1.00 0.00 ? 5 HIS B CD2 24 ATOM 33407 C CE1 . HIS B 1 5 ? 21.967 -10.604 2.178 1.00 0.00 ? 5 HIS B CE1 24 ATOM 33408 N NE2 . HIS B 1 5 ? 22.940 -9.737 1.967 1.00 0.00 ? 5 HIS B NE2 24 ATOM 33409 H H . HIS B 1 5 ? 24.185 -9.513 -1.684 1.00 0.00 ? 5 HIS B H 24 ATOM 33410 H HA . HIS B 1 5 ? 21.943 -9.570 -3.347 1.00 0.00 ? 5 HIS B HA 24 ATOM 33411 H HB2 . HIS B 1 5 ? 20.857 -10.836 -1.551 1.00 0.00 ? 5 HIS B HB2 24 ATOM 33412 H HB3 . HIS B 1 5 ? 22.512 -11.386 -1.798 1.00 0.00 ? 5 HIS B HB3 24 ATOM 33413 H HD1 . HIS B 1 5 ? 20.764 -11.633 0.881 1.00 0.00 ? 5 HIS B HD1 24 ATOM 33414 H HD2 . HIS B 1 5 ? 23.814 -8.912 0.132 1.00 0.00 ? 5 HIS B HD2 24 ATOM 33415 H HE1 . HIS B 1 5 ? 21.617 -10.938 3.143 1.00 0.00 ? 5 HIS B HE1 24 ATOM 33416 H HE2 . HIS B 1 5 ? 23.464 -9.293 2.666 1.00 0.00 ? 5 HIS B HE2 24 ATOM 33417 N N . HIS B 1 6 ? 21.852 -7.309 -1.021 1.00 0.00 ? 6 HIS B N 24 ATOM 33418 C CA . HIS B 1 6 ? 21.107 -6.161 -0.515 1.00 0.00 ? 6 HIS B CA 24 ATOM 33419 C C . HIS B 1 6 ? 20.753 -5.198 -1.647 1.00 0.00 ? 6 HIS B C 24 ATOM 33420 O O . HIS B 1 6 ? 19.697 -4.568 -1.627 1.00 0.00 ? 6 HIS B O 24 ATOM 33421 C CB . HIS B 1 6 ? 21.908 -5.440 0.577 1.00 0.00 ? 6 HIS B CB 24 ATOM 33422 C CG . HIS B 1 6 ? 23.014 -4.571 0.058 1.00 0.00 ? 6 HIS B CG 24 ATOM 33423 N ND1 . HIS B 1 6 ? 24.344 -4.932 0.109 1.00 0.00 ? 6 HIS B ND1 24 ATOM 33424 C CD2 . HIS B 1 6 ? 22.981 -3.345 -0.518 1.00 0.00 ? 6 HIS B CD2 24 ATOM 33425 C CE1 . HIS B 1 6 ? 25.081 -3.966 -0.411 1.00 0.00 ? 6 HIS B CE1 24 ATOM 33426 N NE2 . HIS B 1 6 ? 24.278 -2.994 -0.800 1.00 0.00 ? 6 HIS B NE2 24 ATOM 33427 H H . HIS B 1 6 ? 22.777 -7.447 -0.729 1.00 0.00 ? 6 HIS B H 24 ATOM 33428 H HA . HIS B 1 6 ? 20.190 -6.533 -0.083 1.00 0.00 ? 6 HIS B HA 24 ATOM 33429 H HB2 . HIS B 1 6 ? 21.238 -4.814 1.147 1.00 0.00 ? 6 HIS B HB2 24 ATOM 33430 H HB3 . HIS B 1 6 ? 22.347 -6.177 1.235 1.00 0.00 ? 6 HIS B HB3 24 ATOM 33431 H HD1 . HIS B 1 6 ? 24.696 -5.772 0.473 1.00 0.00 ? 6 HIS B HD1 24 ATOM 33432 H HD2 . HIS B 1 6 ? 22.099 -2.753 -0.713 1.00 0.00 ? 6 HIS B HD2 24 ATOM 33433 H HE1 . HIS B 1 6 ? 26.156 -3.970 -0.501 1.00 0.00 ? 6 HIS B HE1 24 ATOM 33434 H HE2 . HIS B 1 6 ? 24.564 -2.158 -1.222 1.00 0.00 ? 6 HIS B HE2 24 ATOM 33435 N N . GLU B 1 7 ? 21.641 -5.092 -2.631 1.00 0.00 ? 7 GLU B N 24 ATOM 33436 C CA . GLU B 1 7 ? 21.417 -4.211 -3.770 1.00 0.00 ? 7 GLU B CA 24 ATOM 33437 C C . GLU B 1 7 ? 20.161 -4.620 -4.532 1.00 0.00 ? 7 GLU B C 24 ATOM 33438 O O . GLU B 1 7 ? 19.396 -3.770 -4.988 1.00 0.00 ? 7 GLU B O 24 ATOM 33439 C CB . GLU B 1 7 ? 22.627 -4.236 -4.708 1.00 0.00 ? 7 GLU B CB 24 ATOM 33440 C CG . GLU B 1 7 ? 22.443 -3.397 -5.961 1.00 0.00 ? 7 GLU B CG 24 ATOM 33441 C CD . GLU B 1 7 ? 23.393 -3.795 -7.073 1.00 0.00 ? 7 GLU B CD 24 ATOM 33442 O OE1 . GLU B 1 7 ? 23.496 -5.006 -7.362 1.00 0.00 ? 7 GLU B OE1 24 ATOM 33443 O OE2 . GLU B 1 7 ? 24.036 -2.895 -7.656 1.00 0.00 ? 7 GLU B OE2 24 ATOM 33444 H H . GLU B 1 7 ? 22.463 -5.621 -2.592 1.00 0.00 ? 7 GLU B H 24 ATOM 33445 H HA . GLU B 1 7 ? 21.286 -3.208 -3.393 1.00 0.00 ? 7 GLU B HA 24 ATOM 33446 H HB2 . GLU B 1 7 ? 23.490 -3.863 -4.174 1.00 0.00 ? 7 GLU B HB2 24 ATOM 33447 H HB3 . GLU B 1 7 ? 22.814 -5.257 -5.008 1.00 0.00 ? 7 GLU B HB3 24 ATOM 33448 H HG2 . GLU B 1 7 ? 21.430 -3.517 -6.314 1.00 0.00 ? 7 GLU B HG2 24 ATOM 33449 H HG3 . GLU B 1 7 ? 22.617 -2.360 -5.713 1.00 0.00 ? 7 GLU B HG3 24 ATOM 33450 N N . ASN B 1 8 ? 19.949 -5.926 -4.657 1.00 0.00 ? 8 ASN B N 24 ATOM 33451 C CA . ASN B 1 8 ? 18.776 -6.443 -5.354 1.00 0.00 ? 8 ASN B CA 24 ATOM 33452 C C . ASN B 1 8 ? 17.514 -6.106 -4.576 1.00 0.00 ? 8 ASN B C 24 ATOM 33453 O O . ASN B 1 8 ? 16.594 -5.480 -5.104 1.00 0.00 ? 8 ASN B O 24 ATOM 33454 C CB . ASN B 1 8 ? 18.890 -7.957 -5.546 1.00 0.00 ? 8 ASN B CB 24 ATOM 33455 C CG . ASN B 1 8 ? 20.153 -8.353 -6.287 1.00 0.00 ? 8 ASN B CG 24 ATOM 33456 O OD1 . ASN B 1 8 ? 21.064 -7.544 -6.461 1.00 0.00 ? 8 ASN B OD1 24 ATOM 33457 N ND2 . ASN B 1 8 ? 20.211 -9.604 -6.728 1.00 0.00 ? 8 ASN B ND2 24 ATOM 33458 H H . ASN B 1 8 ? 20.590 -6.553 -4.264 1.00 0.00 ? 8 ASN B H 24 ATOM 33459 H HA . ASN B 1 8 ? 18.727 -5.965 -6.322 1.00 0.00 ? 8 ASN B HA 24 ATOM 33460 H HB2 . ASN B 1 8 ? 18.899 -8.437 -4.578 1.00 0.00 ? 8 ASN B HB2 24 ATOM 33461 H HB3 . ASN B 1 8 ? 18.039 -8.307 -6.110 1.00 0.00 ? 8 ASN B HB3 24 ATOM 33462 H HD21 . ASN B 1 8 ? 19.448 -10.193 -6.553 1.00 0.00 ? 8 ASN B HD21 24 ATOM 33463 H HD22 . ASN B 1 8 ? 21.016 -9.888 -7.210 1.00 0.00 ? 8 ASN B HD22 24 ATOM 33464 N N . GLU B 1 9 ? 17.488 -6.503 -3.309 1.00 0.00 ? 9 GLU B N 24 ATOM 33465 C CA . GLU B 1 9 ? 16.350 -6.218 -2.447 1.00 0.00 ? 9 GLU B CA 24 ATOM 33466 C C . GLU B 1 9 ? 16.132 -4.709 -2.339 1.00 0.00 ? 9 GLU B C 24 ATOM 33467 O O . GLU B 1 9 ? 15.056 -4.254 -1.953 1.00 0.00 ? 9 GLU B O 24 ATOM 33468 C CB . GLU B 1 9 ? 16.572 -6.816 -1.057 1.00 0.00 ? 9 GLU B CB 24 ATOM 33469 C CG . GLU B 1 9 ? 15.282 -7.128 -0.315 1.00 0.00 ? 9 GLU B CG 24 ATOM 33470 C CD . GLU B 1 9 ? 15.043 -8.618 -0.164 1.00 0.00 ? 9 GLU B CD 24 ATOM 33471 O OE1 . GLU B 1 9 ? 14.617 -9.254 -1.151 1.00 0.00 ? 9 GLU B OE1 24 ATOM 33472 O OE2 . GLU B 1 9 ? 15.282 -9.149 0.941 1.00 0.00 ? 9 GLU B OE2 24 ATOM 33473 H H . GLU B 1 9 ? 18.260 -6.982 -2.940 1.00 0.00 ? 9 GLU B H 24 ATOM 33474 H HA . GLU B 1 9 ? 15.474 -6.667 -2.891 1.00 0.00 ? 9 GLU B HA 24 ATOM 33475 H HB2 . GLU B 1 9 ? 17.134 -7.733 -1.158 1.00 0.00 ? 9 GLU B HB2 24 ATOM 33476 H HB3 . GLU B 1 9 ? 17.143 -6.118 -0.464 1.00 0.00 ? 9 GLU B HB3 24 ATOM 33477 H HG2 . GLU B 1 9 ? 15.332 -6.686 0.669 1.00 0.00 ? 9 GLU B HG2 24 ATOM 33478 H HG3 . GLU B 1 9 ? 14.455 -6.698 -0.861 1.00 0.00 ? 9 GLU B HG3 24 ATOM 33479 N N . ILE B 1 10 ? 17.165 -3.938 -2.683 1.00 0.00 ? 10 ILE B N 24 ATOM 33480 C CA . ILE B 1 10 ? 17.098 -2.487 -2.631 1.00 0.00 ? 10 ILE B CA 24 ATOM 33481 C C . ILE B 1 10 ? 16.199 -1.949 -3.752 1.00 0.00 ? 10 ILE B C 24 ATOM 33482 O O . ILE B 1 10 ? 15.272 -1.179 -3.505 1.00 0.00 ? 10 ILE B O 24 ATOM 33483 C CB . ILE B 1 10 ? 18.541 -1.881 -2.691 1.00 0.00 ? 10 ILE B CB 24 ATOM 33484 C CG1 . ILE B 1 10 ? 18.802 -1.019 -1.458 1.00 0.00 ? 10 ILE B CG1 24 ATOM 33485 C CG2 . ILE B 1 10 ? 18.823 -1.080 -3.964 1.00 0.00 ? 10 ILE B CG2 24 ATOM 33486 C CD1 . ILE B 1 10 ? 20.085 -1.380 -0.743 1.00 0.00 ? 10 ILE B CD1 24 ATOM 33487 H H . ILE B 1 10 ? 17.998 -4.357 -2.980 1.00 0.00 ? 10 ILE B H 24 ATOM 33488 H HA . ILE B 1 10 ? 16.659 -2.216 -1.682 1.00 0.00 ? 10 ILE B HA 24 ATOM 33489 H HB . ILE B 1 10 ? 19.235 -2.707 -2.675 1.00 0.00 ? 10 ILE B HB 24 ATOM 33490 H HG12 . ILE B 1 10 ? 18.868 0.016 -1.756 1.00 0.00 ? 10 ILE B HG12 24 ATOM 33491 H HG13 . ILE B 1 10 ? 17.987 -1.140 -0.761 1.00 0.00 ? 10 ILE B HG13 24 ATOM 33492 H HG21 . ILE B 1 10 ? 18.679 -1.713 -4.827 1.00 0.00 ? 10 ILE B HG21 24 ATOM 33493 H HG22 . ILE B 1 10 ? 18.148 -0.239 -4.018 1.00 0.00 ? 10 ILE B HG22 24 ATOM 33494 H HG23 . ILE B 1 10 ? 19.842 -0.724 -3.946 1.00 0.00 ? 10 ILE B HG23 24 ATOM 33495 H HD11 . ILE B 1 10 ? 20.179 -2.456 -0.693 1.00 0.00 ? 10 ILE B HD11 24 ATOM 33496 H HD12 . ILE B 1 10 ? 20.926 -0.972 -1.284 1.00 0.00 ? 10 ILE B HD12 24 ATOM 33497 H HD13 . ILE B 1 10 ? 20.068 -0.972 0.257 1.00 0.00 ? 10 ILE B HD13 24 ATOM 33498 N N . SER B 1 11 ? 16.485 -2.364 -4.983 1.00 0.00 ? 11 SER B N 24 ATOM 33499 C CA . SER B 1 11 ? 15.708 -1.925 -6.135 1.00 0.00 ? 11 SER B CA 24 ATOM 33500 C C . SER B 1 11 ? 14.262 -2.395 -6.025 1.00 0.00 ? 11 SER B C 24 ATOM 33501 O O . SER B 1 11 ? 13.346 -1.747 -6.534 1.00 0.00 ? 11 SER B O 24 ATOM 33502 C CB . SER B 1 11 ? 16.331 -2.451 -7.429 1.00 0.00 ? 11 SER B CB 24 ATOM 33503 O OG . SER B 1 11 ? 17.695 -2.081 -7.526 1.00 0.00 ? 11 SER B OG 24 ATOM 33504 H H . SER B 1 11 ? 17.237 -2.982 -5.119 1.00 0.00 ? 11 SER B H 24 ATOM 33505 H HA . SER B 1 11 ? 15.721 -0.845 -6.152 1.00 0.00 ? 11 SER B HA 24 ATOM 33506 H HB2 . SER B 1 11 ? 16.263 -3.529 -7.446 1.00 0.00 ? 11 SER B HB2 24 ATOM 33507 H HB3 . SER B 1 11 ? 15.798 -2.042 -8.275 1.00 0.00 ? 11 SER B HB3 24 ATOM 33508 H HG . SER B 1 11 ? 18.229 -2.862 -7.680 1.00 0.00 ? 11 SER B HG 24 ATOM 33509 N N . HIS B 1 12 ? 14.064 -3.525 -5.357 1.00 0.00 ? 12 HIS B N 24 ATOM 33510 C CA . HIS B 1 12 ? 12.731 -4.081 -5.181 1.00 0.00 ? 12 HIS B CA 24 ATOM 33511 C C . HIS B 1 12 ? 11.932 -3.240 -4.182 1.00 0.00 ? 12 HIS B C 24 ATOM 33512 O O . HIS B 1 12 ? 10.758 -2.946 -4.408 1.00 0.00 ? 12 HIS B O 24 ATOM 33513 C CB . HIS B 1 12 ? 12.839 -5.565 -4.759 1.00 0.00 ? 12 HIS B CB 24 ATOM 33514 C CG . HIS B 1 12 ? 11.932 -5.996 -3.640 1.00 0.00 ? 12 HIS B CG 24 ATOM 33515 N ND1 . HIS B 1 12 ? 10.650 -6.462 -3.842 1.00 0.00 ? 12 HIS B ND1 24 ATOM 33516 C CD2 . HIS B 1 12 ? 12.136 -6.025 -2.304 1.00 0.00 ? 12 HIS B CD2 24 ATOM 33517 C CE1 . HIS B 1 12 ? 10.104 -6.759 -2.676 1.00 0.00 ? 12 HIS B CE1 24 ATOM 33518 N NE2 . HIS B 1 12 ? 10.986 -6.504 -1.727 1.00 0.00 ? 12 HIS B NE2 24 ATOM 33519 H H . HIS B 1 12 ? 14.832 -3.997 -4.971 1.00 0.00 ? 12 HIS B H 24 ATOM 33520 H HA . HIS B 1 12 ? 12.232 -4.028 -6.139 1.00 0.00 ? 12 HIS B HA 24 ATOM 33521 H HB2 . HIS B 1 12 ? 12.612 -6.184 -5.612 1.00 0.00 ? 12 HIS B HB2 24 ATOM 33522 H HB3 . HIS B 1 12 ? 13.856 -5.761 -4.450 1.00 0.00 ? 12 HIS B HB3 24 ATOM 33523 H HD1 . HIS B 1 12 ? 10.206 -6.559 -4.710 1.00 0.00 ? 12 HIS B HD1 24 ATOM 33524 H HD2 . HIS B 1 12 ? 13.038 -5.727 -1.790 1.00 0.00 ? 12 HIS B HD2 24 ATOM 33525 H HE1 . HIS B 1 12 ? 9.107 -7.147 -2.524 1.00 0.00 ? 12 HIS B HE1 24 ATOM 33526 H HE2 . HIS B 1 12 ? 10.841 -6.636 -0.768 1.00 0.00 ? 12 HIS B HE2 24 ATOM 33527 N N . HIS B 1 13 ? 12.571 -2.848 -3.082 1.00 0.00 ? 13 HIS B N 24 ATOM 33528 C CA . HIS B 1 13 ? 11.900 -2.037 -2.076 1.00 0.00 ? 13 HIS B CA 24 ATOM 33529 C C . HIS B 1 13 ? 11.454 -0.713 -2.673 1.00 0.00 ? 13 HIS B C 24 ATOM 33530 O O . HIS B 1 13 ? 10.436 -0.161 -2.273 1.00 0.00 ? 13 HIS B O 24 ATOM 33531 C CB . HIS B 1 13 ? 12.813 -1.765 -0.885 1.00 0.00 ? 13 HIS B CB 24 ATOM 33532 C CG . HIS B 1 13 ? 13.306 -2.992 -0.195 1.00 0.00 ? 13 HIS B CG 24 ATOM 33533 N ND1 . HIS B 1 13 ? 12.609 -4.181 -0.155 1.00 0.00 ? 13 HIS B ND1 24 ATOM 33534 C CD2 . HIS B 1 13 ? 14.443 -3.197 0.497 1.00 0.00 ? 13 HIS B CD2 24 ATOM 33535 C CE1 . HIS B 1 13 ? 13.303 -5.068 0.537 1.00 0.00 ? 13 HIS B CE1 24 ATOM 33536 N NE2 . HIS B 1 13 ? 14.420 -4.495 0.943 1.00 0.00 ? 13 HIS B NE2 24 ATOM 33537 H H . HIS B 1 13 ? 13.508 -3.101 -2.949 1.00 0.00 ? 13 HIS B H 24 ATOM 33538 H HA . HIS B 1 13 ? 11.029 -2.579 -1.737 1.00 0.00 ? 13 HIS B HA 24 ATOM 33539 H HB2 . HIS B 1 13 ? 13.674 -1.216 -1.224 1.00 0.00 ? 13 HIS B HB2 24 ATOM 33540 H HB3 . HIS B 1 13 ? 12.276 -1.171 -0.161 1.00 0.00 ? 13 HIS B HB3 24 ATOM 33541 H HD1 . HIS B 1 13 ? 11.738 -4.349 -0.571 1.00 0.00 ? 13 HIS B HD1 24 ATOM 33542 H HD2 . HIS B 1 13 ? 15.221 -2.468 0.666 1.00 0.00 ? 13 HIS B HD2 24 ATOM 33543 H HE1 . HIS B 1 13 ? 13.006 -6.088 0.735 1.00 0.00 ? 13 HIS B HE1 24 ATOM 33544 H HE2 . HIS B 1 13 ? 15.119 -4.928 1.477 1.00 0.00 ? 13 HIS B HE2 24 ATOM 33545 N N . ALA B 1 14 ? 12.228 -0.205 -3.629 1.00 0.00 ? 14 ALA B N 24 ATOM 33546 C CA . ALA B 1 14 ? 11.904 1.061 -4.277 1.00 0.00 ? 14 ALA B CA 24 ATOM 33547 C C . ALA B 1 14 ? 10.612 0.932 -5.067 1.00 0.00 ? 14 ALA B C 24 ATOM 33548 O O . ALA B 1 14 ? 9.655 1.669 -4.836 1.00 0.00 ? 14 ALA B O 24 ATOM 33549 C CB . ALA B 1 14 ? 13.043 1.502 -5.183 1.00 0.00 ? 14 ALA B CB 24 ATOM 33550 H H . ALA B 1 14 ? 13.034 -0.692 -3.904 1.00 0.00 ? 14 ALA B H 24 ATOM 33551 H HA . ALA B 1 14 ? 11.771 1.807 -3.506 1.00 0.00 ? 14 ALA B HA 24 ATOM 33552 H HB1 . ALA B 1 14 ? 13.315 0.690 -5.842 1.00 0.00 ? 14 ALA B HB1 24 ATOM 33553 H HB2 . ALA B 1 14 ? 13.897 1.777 -4.580 1.00 0.00 ? 14 ALA B HB2 24 ATOM 33554 H HB3 . ALA B 1 14 ? 12.728 2.352 -5.769 1.00 0.00 ? 14 ALA B HB3 24 ATOM 33555 N N . LYS B 1 15 ? 10.582 -0.028 -5.982 1.00 0.00 ? 15 LYS B N 24 ATOM 33556 C CA . LYS B 1 15 ? 9.391 -0.267 -6.781 1.00 0.00 ? 15 LYS B CA 24 ATOM 33557 C C . LYS B 1 15 ? 8.241 -0.725 -5.888 1.00 0.00 ? 15 LYS B C 24 ATOM 33558 O O . LYS B 1 15 ? 7.080 -0.704 -6.297 1.00 0.00 ? 15 LYS B O 24 ATOM 33559 C CB . LYS B 1 15 ? 9.671 -1.318 -7.857 1.00 0.00 ? 15 LYS B CB 24 ATOM 33560 C CG . LYS B 1 15 ? 9.891 -0.729 -9.241 1.00 0.00 ? 15 LYS B CG 24 ATOM 33561 C CD . LYS B 1 15 ? 9.289 -1.610 -10.323 1.00 0.00 ? 15 LYS B CD 24 ATOM 33562 C CE . LYS B 1 15 ? 10.351 -2.109 -11.289 1.00 0.00 ? 15 LYS B CE 24 ATOM 33563 N NZ . LYS B 1 15 ? 10.384 -1.307 -12.543 1.00 0.00 ? 15 LYS B NZ 24 ATOM 33564 H H . LYS B 1 15 ? 11.368 -0.599 -6.108 1.00 0.00 ? 15 LYS B H 24 ATOM 33565 H HA . LYS B 1 15 ? 9.117 0.663 -7.256 1.00 0.00 ? 15 LYS B HA 24 ATOM 33566 H HB2 . LYS B 1 15 ? 10.556 -1.873 -7.581 1.00 0.00 ? 15 LYS B HB2 24 ATOM 33567 H HB3 . LYS B 1 15 ? 8.833 -1.997 -7.907 1.00 0.00 ? 15 LYS B HB3 24 ATOM 33568 H HG2 . LYS B 1 15 ? 9.426 0.245 -9.284 1.00 0.00 ? 15 LYS B HG2 24 ATOM 33569 H HG3 . LYS B 1 15 ? 10.952 -0.632 -9.416 1.00 0.00 ? 15 LYS B HG3 24 ATOM 33570 H HD2 . LYS B 1 15 ? 8.810 -2.459 -9.859 1.00 0.00 ? 15 LYS B HD2 24 ATOM 33571 H HD3 . LYS B 1 15 ? 8.555 -1.038 -10.873 1.00 0.00 ? 15 LYS B HD3 24 ATOM 33572 H HE2 . LYS B 1 15 ? 11.316 -2.046 -10.807 1.00 0.00 ? 15 LYS B HE2 24 ATOM 33573 H HE3 . LYS B 1 15 ? 10.139 -3.140 -11.535 1.00 0.00 ? 15 LYS B HE3 24 ATOM 33574 H HZ1 . LYS B 1 15 ? 9.799 -0.454 -12.436 1.00 0.00 ? 15 LYS B HZ1 24 ATOM 33575 H HZ2 . LYS B 1 15 ? 11.360 -1.019 -12.757 1.00 0.00 ? 15 LYS B HZ2 24 ATOM 33576 H HZ3 . LYS B 1 15 ? 10.017 -1.869 -13.337 1.00 0.00 ? 15 LYS B HZ3 24 ATOM 33577 N N . GLU B 1 16 ? 8.571 -1.136 -4.661 1.00 0.00 ? 16 GLU B N 24 ATOM 33578 C CA . GLU B 1 16 ? 7.568 -1.594 -3.713 1.00 0.00 ? 16 GLU B CA 24 ATOM 33579 C C . GLU B 1 16 ? 6.914 -0.416 -2.999 1.00 0.00 ? 16 GLU B C 24 ATOM 33580 O O . GLU B 1 16 ? 5.729 -0.466 -2.676 1.00 0.00 ? 16 GLU B O 24 ATOM 33581 C CB . GLU B 1 16 ? 8.197 -2.542 -2.690 1.00 0.00 ? 16 GLU B CB 24 ATOM 33582 C CG . GLU B 1 16 ? 7.201 -3.492 -2.044 1.00 0.00 ? 16 GLU B CG 24 ATOM 33583 C CD . GLU B 1 16 ? 6.305 -4.177 -3.058 1.00 0.00 ? 16 GLU B CD 24 ATOM 33584 O OE1 . GLU B 1 16 ? 6.735 -4.333 -4.221 1.00 0.00 ? 16 GLU B OE1 24 ATOM 33585 O OE2 . GLU B 1 16 ? 5.174 -4.557 -2.690 1.00 0.00 ? 16 GLU B OE2 24 ATOM 33586 H H . GLU B 1 16 ? 9.509 -1.131 -4.387 1.00 0.00 ? 16 GLU B H 24 ATOM 33587 H HA . GLU B 1 16 ? 6.810 -2.127 -4.267 1.00 0.00 ? 16 GLU B HA 24 ATOM 33588 H HB2 . GLU B 1 16 ? 8.955 -3.132 -3.184 1.00 0.00 ? 16 GLU B HB2 24 ATOM 33589 H HB3 . GLU B 1 16 ? 8.661 -1.957 -1.911 1.00 0.00 ? 16 GLU B HB3 24 ATOM 33590 H HG2 . GLU B 1 16 ? 7.746 -4.248 -1.501 1.00 0.00 ? 16 GLU B HG2 24 ATOM 33591 H HG3 . GLU B 1 16 ? 6.582 -2.932 -1.359 1.00 0.00 ? 16 GLU B HG3 24 ATOM 33592 N N . ILE B 1 17 ? 7.682 0.647 -2.754 1.00 0.00 ? 17 ILE B N 24 ATOM 33593 C CA . ILE B 1 17 ? 7.141 1.822 -2.081 1.00 0.00 ? 17 ILE B CA 24 ATOM 33594 C C . ILE B 1 17 ? 6.249 2.622 -3.031 1.00 0.00 ? 17 ILE B C 24 ATOM 33595 O O . ILE B 1 17 ? 5.223 3.170 -2.627 1.00 0.00 ? 17 ILE B O 24 ATOM 33596 C CB . ILE B 1 17 ? 8.271 2.716 -1.500 1.00 0.00 ? 17 ILE B CB 24 ATOM 33597 C CG1 . ILE B 1 17 ? 8.870 3.647 -2.563 1.00 0.00 ? 17 ILE B CG1 24 ATOM 33598 C CG2 . ILE B 1 17 ? 9.361 1.848 -0.897 1.00 0.00 ? 17 ILE B CG2 24 ATOM 33599 C CD1 . ILE B 1 17 ? 8.198 5.001 -2.629 1.00 0.00 ? 17 ILE B CD1 24 ATOM 33600 H H . ILE B 1 17 ? 8.625 0.642 -3.034 1.00 0.00 ? 17 ILE B H 24 ATOM 33601 H HA . ILE B 1 17 ? 6.532 1.476 -1.257 1.00 0.00 ? 17 ILE B HA 24 ATOM 33602 H HB . ILE B 1 17 ? 7.848 3.311 -0.704 1.00 0.00 ? 17 ILE B HB 24 ATOM 33603 H HG12 . ILE B 1 17 ? 9.915 3.808 -2.344 1.00 0.00 ? 17 ILE B HG12 24 ATOM 33604 H HG13 . ILE B 1 17 ? 8.778 3.183 -3.533 1.00 0.00 ? 17 ILE B HG13 24 ATOM 33605 H HG21 . ILE B 1 17 ? 9.029 0.821 -0.865 1.00 0.00 ? 17 ILE B HG21 24 ATOM 33606 H HG22 . ILE B 1 17 ? 10.252 1.919 -1.502 1.00 0.00 ? 17 ILE B HG22 24 ATOM 33607 H HG23 . ILE B 1 17 ? 9.579 2.188 0.104 1.00 0.00 ? 17 ILE B HG23 24 ATOM 33608 H HD11 . ILE B 1 17 ? 7.288 4.979 -2.047 1.00 0.00 ? 17 ILE B HD11 24 ATOM 33609 H HD12 . ILE B 1 17 ? 8.862 5.753 -2.229 1.00 0.00 ? 17 ILE B HD12 24 ATOM 33610 H HD13 . ILE B 1 17 ? 7.962 5.237 -3.656 1.00 0.00 ? 17 ILE B HD13 24 ATOM 33611 N N . GLU B 1 18 ? 6.645 2.668 -4.301 1.00 0.00 ? 18 GLU B N 24 ATOM 33612 C CA . GLU B 1 18 ? 5.879 3.387 -5.310 1.00 0.00 ? 18 GLU B CA 24 ATOM 33613 C C . GLU B 1 18 ? 4.647 2.585 -5.712 1.00 0.00 ? 18 GLU B C 24 ATOM 33614 O O . GLU B 1 18 ? 3.560 3.138 -5.883 1.00 0.00 ? 18 GLU B O 24 ATOM 33615 C CB . GLU B 1 18 ? 6.746 3.667 -6.540 1.00 0.00 ? 18 GLU B CB 24 ATOM 33616 C CG . GLU B 1 18 ? 7.304 5.080 -6.581 1.00 0.00 ? 18 GLU B CG 24 ATOM 33617 C CD . GLU B 1 18 ? 7.642 5.532 -7.988 1.00 0.00 ? 18 GLU B CD 24 ATOM 33618 O OE1 . GLU B 1 18 ? 8.540 4.924 -8.608 1.00 0.00 ? 18 GLU B OE1 24 ATOM 33619 O OE2 . GLU B 1 18 ? 7.007 6.494 -8.471 1.00 0.00 ? 18 GLU B OE2 24 ATOM 33620 H H . GLU B 1 18 ? 7.467 2.200 -4.566 1.00 0.00 ? 18 GLU B H 24 ATOM 33621 H HA . GLU B 1 18 ? 5.560 4.325 -4.881 1.00 0.00 ? 18 GLU B HA 24 ATOM 33622 H HB2 . GLU B 1 18 ? 7.575 2.974 -6.547 1.00 0.00 ? 18 GLU B HB2 24 ATOM 33623 H HB3 . GLU B 1 18 ? 6.151 3.512 -7.428 1.00 0.00 ? 18 GLU B HB3 24 ATOM 33624 H HG2 . GLU B 1 18 ? 6.571 5.756 -6.169 1.00 0.00 ? 18 GLU B HG2 24 ATOM 33625 H HG3 . GLU B 1 18 ? 8.203 5.116 -5.983 1.00 0.00 ? 18 GLU B HG3 24 ATOM 33626 N N . ARG B 1 19 ? 4.824 1.275 -5.852 1.00 0.00 ? 19 ARG B N 24 ATOM 33627 C CA . ARG B 1 19 ? 3.726 0.395 -6.222 1.00 0.00 ? 19 ARG B CA 24 ATOM 33628 C C . ARG B 1 19 ? 2.745 0.253 -5.066 1.00 0.00 ? 19 ARG B C 24 ATOM 33629 O O . ARG B 1 19 ? 1.560 -0.007 -5.272 1.00 0.00 ? 19 ARG B O 24 ATOM 33630 C CB . ARG B 1 19 ? 4.258 -0.980 -6.630 1.00 0.00 ? 19 ARG B CB 24 ATOM 33631 C CG . ARG B 1 19 ? 4.987 -0.978 -7.964 1.00 0.00 ? 19 ARG B CG 24 ATOM 33632 C CD . ARG B 1 19 ? 4.090 -1.461 -9.091 1.00 0.00 ? 19 ARG B CD 24 ATOM 33633 N NE . ARG B 1 19 ? 3.368 -0.362 -9.727 1.00 0.00 ? 19 ARG B NE 24 ATOM 33634 C CZ . ARG B 1 19 ? 2.374 -0.536 -10.591 1.00 0.00 ? 19 ARG B CZ 24 ATOM 33635 N NH1 . ARG B 1 19 ? 1.985 -1.761 -10.920 1.00 0.00 ? 19 ARG B NH1 24 ATOM 33636 N NH2 . ARG B 1 19 ? 1.767 0.514 -11.127 1.00 0.00 ? 19 ARG B NH2 24 ATOM 33637 H H . ARG B 1 19 ? 5.713 0.892 -5.693 1.00 0.00 ? 19 ARG B H 24 ATOM 33638 H HA . ARG B 1 19 ? 3.212 0.839 -7.061 1.00 0.00 ? 19 ARG B HA 24 ATOM 33639 H HB2 . ARG B 1 19 ? 4.941 -1.330 -5.871 1.00 0.00 ? 19 ARG B HB2 24 ATOM 33640 H HB3 . ARG B 1 19 ? 3.428 -1.668 -6.700 1.00 0.00 ? 19 ARG B HB3 24 ATOM 33641 H HG2 . ARG B 1 19 ? 5.313 0.028 -8.184 1.00 0.00 ? 19 ARG B HG2 24 ATOM 33642 H HG3 . ARG B 1 19 ? 5.847 -1.629 -7.895 1.00 0.00 ? 19 ARG B HG3 24 ATOM 33643 H HD2 . ARG B 1 19 ? 4.699 -1.955 -9.834 1.00 0.00 ? 19 ARG B HD2 24 ATOM 33644 H HD3 . ARG B 1 19 ? 3.374 -2.164 -8.689 1.00 0.00 ? 19 ARG B HD3 24 ATOM 33645 H HE . ARG B 1 19 ? 3.640 0.552 -9.499 1.00 0.00 ? 19 ARG B HE 24 ATOM 33646 H HH11 . ARG B 1 19 ? 2.441 -2.556 -10.517 1.00 0.00 ? 19 ARG B HH11 24 ATOM 33647 H HH12 . ARG B 1 19 ? 1.237 -1.891 -11.570 1.00 0.00 ? 19 ARG B HH12 24 ATOM 33648 H HH21 . ARG B 1 19 ? 2.057 1.438 -10.881 1.00 0.00 ? 19 ARG B HH21 24 ATOM 33649 H HH22 . ARG B 1 19 ? 1.018 0.380 -11.776 1.00 0.00 ? 19 ARG B HH22 24 ATOM 33650 N N . LEU B 1 20 ? 3.244 0.438 -3.847 1.00 0.00 ? 20 LEU B N 24 ATOM 33651 C CA . LEU B 1 20 ? 2.408 0.341 -2.661 1.00 0.00 ? 20 LEU B CA 24 ATOM 33652 C C . LEU B 1 20 ? 1.464 1.534 -2.590 1.00 0.00 ? 20 LEU B C 24 ATOM 33653 O O . LEU B 1 20 ? 0.280 1.383 -2.299 1.00 0.00 ? 20 LEU B O 24 ATOM 33654 C CB . LEU B 1 20 ? 3.268 0.273 -1.397 1.00 0.00 ? 20 LEU B CB 24 ATOM 33655 C CG . LEU B 1 20 ? 3.481 -1.132 -0.826 1.00 0.00 ? 20 LEU B CG 24 ATOM 33656 C CD1 . LEU B 1 20 ? 2.265 -1.569 -0.023 1.00 0.00 ? 20 LEU B CD1 24 ATOM 33657 C CD2 . LEU B 1 20 ? 3.770 -2.129 -1.939 1.00 0.00 ? 20 LEU B CD2 24 ATOM 33658 H H . LEU B 1 20 ? 4.195 0.651 -3.745 1.00 0.00 ? 20 LEU B H 24 ATOM 33659 H HA . LEU B 1 20 ? 1.821 -0.562 -2.739 1.00 0.00 ? 20 LEU B HA 24 ATOM 33660 H HB2 . LEU B 1 20 ? 4.234 0.700 -1.621 1.00 0.00 ? 20 LEU B HB2 24 ATOM 33661 H HB3 . LEU B 1 20 ? 2.800 0.876 -0.637 1.00 0.00 ? 20 LEU B HB3 24 ATOM 33662 H HG . LEU B 1 20 ? 4.332 -1.117 -0.161 1.00 0.00 ? 20 LEU B HG 24 ATOM 33663 H HD11 . LEU B 1 20 ? 1.978 -0.777 0.654 1.00 0.00 ? 20 LEU B HD11 24 ATOM 33664 H HD12 . LEU B 1 20 ? 1.448 -1.783 -0.695 1.00 0.00 ? 20 LEU B HD12 24 ATOM 33665 H HD13 . LEU B 1 20 ? 2.508 -2.456 0.543 1.00 0.00 ? 20 LEU B HD13 24 ATOM 33666 H HD21 . LEU B 1 20 ? 3.868 -1.602 -2.877 1.00 0.00 ? 20 LEU B HD21 24 ATOM 33667 H HD22 . LEU B 1 20 ? 4.689 -2.653 -1.724 1.00 0.00 ? 20 LEU B HD22 24 ATOM 33668 H HD23 . LEU B 1 20 ? 2.959 -2.839 -2.008 1.00 0.00 ? 20 LEU B HD23 24 ATOM 33669 N N . GLN B 1 21 ? 1.999 2.722 -2.866 1.00 0.00 ? 21 GLN B N 24 ATOM 33670 C CA . GLN B 1 21 ? 1.198 3.941 -2.843 1.00 0.00 ? 21 GLN B CA 24 ATOM 33671 C C . GLN B 1 21 ? 0.062 3.855 -3.858 1.00 0.00 ? 21 GLN B C 24 ATOM 33672 O O . GLN B 1 21 ? -1.093 4.147 -3.542 1.00 0.00 ? 21 GLN B O 24 ATOM 33673 C CB . GLN B 1 21 ? 2.076 5.157 -3.143 1.00 0.00 ? 21 GLN B CB 24 ATOM 33674 C CG . GLN B 1 21 ? 1.423 6.483 -2.786 1.00 0.00 ? 21 GLN B CG 24 ATOM 33675 C CD . GLN B 1 21 ? 2.012 7.649 -3.555 1.00 0.00 ? 21 GLN B CD 24 ATOM 33676 O OE1 . GLN B 1 21 ? 1.489 8.049 -4.595 1.00 0.00 ? 21 GLN B OE1 24 ATOM 33677 N NE2 . GLN B 1 21 ? 3.107 8.201 -3.046 1.00 0.00 ? 21 GLN B NE2 24 ATOM 33678 H H . GLN B 1 21 ? 2.952 2.778 -3.097 1.00 0.00 ? 21 GLN B H 24 ATOM 33679 H HA . GLN B 1 21 ? 0.777 4.045 -1.855 1.00 0.00 ? 21 GLN B HA 24 ATOM 33680 H HB2 . GLN B 1 21 ? 2.995 5.071 -2.582 1.00 0.00 ? 21 GLN B HB2 24 ATOM 33681 H HB3 . GLN B 1 21 ? 2.308 5.168 -4.198 1.00 0.00 ? 21 GLN B HB3 24 ATOM 33682 H HG2 . GLN B 1 21 ? 0.368 6.421 -3.008 1.00 0.00 ? 21 GLN B HG2 24 ATOM 33683 H HG3 . GLN B 1 21 ? 1.557 6.662 -1.729 1.00 0.00 ? 21 GLN B HG3 24 ATOM 33684 H HE21 . GLN B 1 21 ? 3.469 7.830 -2.214 1.00 0.00 ? 21 GLN B HE21 24 ATOM 33685 H HE22 . GLN B 1 21 ? 3.509 8.957 -3.522 1.00 0.00 ? 21 GLN B HE22 24 ATOM 33686 N N . LYS B 1 22 ? 0.398 3.443 -5.077 1.00 0.00 ? 22 LYS B N 24 ATOM 33687 C CA . LYS B 1 22 ? -0.590 3.310 -6.141 1.00 0.00 ? 22 LYS B CA 24 ATOM 33688 C C . LYS B 1 22 ? -1.623 2.246 -5.786 1.00 0.00 ? 22 LYS B C 24 ATOM 33689 O O . LYS B 1 22 ? -2.787 2.341 -6.174 1.00 0.00 ? 22 LYS B O 24 ATOM 33690 C CB . LYS B 1 22 ? 0.103 2.948 -7.456 1.00 0.00 ? 22 LYS B CB 24 ATOM 33691 C CG . LYS B 1 22 ? -0.604 3.483 -8.695 1.00 0.00 ? 22 LYS B CG 24 ATOM 33692 C CD . LYS B 1 22 ? -1.905 2.742 -8.988 1.00 0.00 ? 22 LYS B CD 24 ATOM 33693 C CE . LYS B 1 22 ? -1.741 1.231 -8.894 1.00 0.00 ? 22 LYS B CE 24 ATOM 33694 N NZ . LYS B 1 22 ? -2.629 0.515 -9.853 1.00 0.00 ? 22 LYS B NZ 24 ATOM 33695 H H . LYS B 1 22 ? 1.336 3.220 -5.265 1.00 0.00 ? 22 LYS B H 24 ATOM 33696 H HA . LYS B 1 22 ? -1.089 4.260 -6.254 1.00 0.00 ? 22 LYS B HA 24 ATOM 33697 H HB2 . LYS B 1 22 ? 1.106 3.349 -7.441 1.00 0.00 ? 22 LYS B HB2 24 ATOM 33698 H HB3 . LYS B 1 22 ? 0.159 1.872 -7.535 1.00 0.00 ? 22 LYS B HB3 24 ATOM 33699 H HG2 . LYS B 1 22 ? -0.830 4.527 -8.541 1.00 0.00 ? 22 LYS B HG2 24 ATOM 33700 H HG3 . LYS B 1 22 ? 0.056 3.381 -9.543 1.00 0.00 ? 22 LYS B HG3 24 ATOM 33701 H HD2 . LYS B 1 22 ? -2.652 3.054 -8.277 1.00 0.00 ? 22 LYS B HD2 24 ATOM 33702 H HD3 . LYS B 1 22 ? -2.229 2.995 -9.986 1.00 0.00 ? 22 LYS B HD3 24 ATOM 33703 H HE2 . LYS B 1 22 ? -0.714 0.978 -9.110 1.00 0.00 ? 22 LYS B HE2 24 ATOM 33704 H HE3 . LYS B 1 22 ? -1.985 0.919 -7.890 1.00 0.00 ? 22 LYS B HE3 24 ATOM 33705 H HZ1 . LYS B 1 22 ? -3.467 1.094 -10.062 1.00 0.00 ? 22 LYS B HZ1 24 ATOM 33706 H HZ2 . LYS B 1 22 ? -2.119 0.329 -10.740 1.00 0.00 ? 22 LYS B HZ2 24 ATOM 33707 H HZ3 . LYS B 1 22 ? -2.937 -0.391 -9.445 1.00 0.00 ? 22 LYS B HZ3 24 ATOM 33708 N N . GLU B 1 23 ? -1.186 1.234 -5.044 1.00 0.00 ? 23 GLU B N 24 ATOM 33709 C CA . GLU B 1 23 ? -2.068 0.147 -4.635 1.00 0.00 ? 23 GLU B CA 24 ATOM 33710 C C . GLU B 1 23 ? -3.092 0.627 -3.611 1.00 0.00 ? 23 GLU B C 24 ATOM 33711 O O . GLU B 1 23 ? -4.233 0.162 -3.594 1.00 0.00 ? 23 GLU B O 24 ATOM 33712 C CB . GLU B 1 23 ? -1.250 -1.006 -4.051 1.00 0.00 ? 23 GLU B CB 24 ATOM 33713 C CG . GLU B 1 23 ? -2.098 -2.170 -3.564 1.00 0.00 ? 23 GLU B CG 24 ATOM 33714 C CD . GLU B 1 23 ? -1.301 -3.173 -2.753 1.00 0.00 ? 23 GLU B CD 24 ATOM 33715 O OE1 . GLU B 1 23 ? -0.662 -2.761 -1.764 1.00 0.00 ? 23 GLU B OE1 24 ATOM 33716 O OE2 . GLU B 1 23 ? -1.317 -4.371 -3.109 1.00 0.00 ? 23 GLU B OE2 24 ATOM 33717 H H . GLU B 1 23 ? -0.246 1.215 -4.767 1.00 0.00 ? 23 GLU B H 24 ATOM 33718 H HA . GLU B 1 23 ? -2.591 -0.204 -5.511 1.00 0.00 ? 23 GLU B HA 24 ATOM 33719 H HB2 . GLU B 1 23 ? -0.574 -1.374 -4.809 1.00 0.00 ? 23 GLU B HB2 24 ATOM 33720 H HB3 . GLU B 1 23 ? -0.672 -0.637 -3.216 1.00 0.00 ? 23 GLU B HB3 24 ATOM 33721 H HG2 . GLU B 1 23 ? -2.896 -1.784 -2.948 1.00 0.00 ? 23 GLU B HG2 24 ATOM 33722 H HG3 . GLU B 1 23 ? -2.519 -2.674 -4.423 1.00 0.00 ? 23 GLU B HG3 24 ATOM 33723 N N . ILE B 1 24 ? -2.684 1.564 -2.760 1.00 0.00 ? 24 ILE B N 24 ATOM 33724 C CA . ILE B 1 24 ? -3.579 2.099 -1.741 1.00 0.00 ? 24 ILE B CA 24 ATOM 33725 C C . ILE B 1 24 ? -4.699 2.906 -2.398 1.00 0.00 ? 24 ILE B C 24 ATOM 33726 O O . ILE B 1 24 ? -5.866 2.797 -2.020 1.00 0.00 ? 24 ILE B O 24 ATOM 33727 C CB . ILE B 1 24 ? -2.820 2.952 -0.669 1.00 0.00 ? 24 ILE B CB 24 ATOM 33728 C CG1 . ILE B 1 24 ? -2.833 4.454 -0.992 1.00 0.00 ? 24 ILE B CG1 24 ATOM 33729 C CG2 . ILE B 1 24 ? -1.384 2.471 -0.511 1.00 0.00 ? 24 ILE B CG2 24 ATOM 33730 C CD1 . ILE B 1 24 ? -4.126 5.136 -0.597 1.00 0.00 ? 24 ILE B CD1 24 ATOM 33731 H H . ILE B 1 24 ? -1.768 1.902 -2.823 1.00 0.00 ? 24 ILE B H 24 ATOM 33732 H HA . ILE B 1 24 ? -4.027 1.253 -1.233 1.00 0.00 ? 24 ILE B HA 24 ATOM 33733 H HB . ILE B 1 24 ? -3.317 2.799 0.278 1.00 0.00 ? 24 ILE B HB 24 ATOM 33734 H HG12 . ILE B 1 24 ? -2.028 4.937 -0.461 1.00 0.00 ? 24 ILE B HG12 24 ATOM 33735 H HG13 . ILE B 1 24 ? -2.694 4.591 -2.053 1.00 0.00 ? 24 ILE B HG13 24 ATOM 33736 H HG21 . ILE B 1 24 ? -1.340 1.406 -0.686 1.00 0.00 ? 24 ILE B HG21 24 ATOM 33737 H HG22 . ILE B 1 24 ? -0.754 2.980 -1.226 1.00 0.00 ? 24 ILE B HG22 24 ATOM 33738 H HG23 . ILE B 1 24 ? -1.041 2.687 0.489 1.00 0.00 ? 24 ILE B HG23 24 ATOM 33739 H HD11 . ILE B 1 24 ? -4.793 4.410 -0.150 1.00 0.00 ? 24 ILE B HD11 24 ATOM 33740 H HD12 . ILE B 1 24 ? -3.917 5.919 0.116 1.00 0.00 ? 24 ILE B HD12 24 ATOM 33741 H HD13 . ILE B 1 24 ? -4.591 5.560 -1.473 1.00 0.00 ? 24 ILE B HD13 24 ATOM 33742 N N . GLU B 1 25 ? -4.329 3.707 -3.395 1.00 0.00 ? 25 GLU B N 24 ATOM 33743 C CA . GLU B 1 25 ? -5.295 4.522 -4.116 1.00 0.00 ? 25 GLU B CA 24 ATOM 33744 C C . GLU B 1 25 ? -6.346 3.636 -4.773 1.00 0.00 ? 25 GLU B C 24 ATOM 33745 O O . GLU B 1 25 ? -7.538 3.945 -4.751 1.00 0.00 ? 25 GLU B O 24 ATOM 33746 C CB . GLU B 1 25 ? -4.592 5.374 -5.175 1.00 0.00 ? 25 GLU B CB 24 ATOM 33747 C CG . GLU B 1 25 ? -5.377 6.610 -5.583 1.00 0.00 ? 25 GLU B CG 24 ATOM 33748 C CD . GLU B 1 25 ? -4.498 7.834 -5.741 1.00 0.00 ? 25 GLU B CD 24 ATOM 33749 O OE1 . GLU B 1 25 ? -3.267 7.707 -5.573 1.00 0.00 ? 25 GLU B OE1 24 ATOM 33750 O OE2 . GLU B 1 25 ? -5.041 8.921 -6.034 1.00 0.00 ? 25 GLU B OE2 24 ATOM 33751 H H . GLU B 1 25 ? -3.384 3.742 -3.655 1.00 0.00 ? 25 GLU B H 24 ATOM 33752 H HA . GLU B 1 25 ? -5.781 5.173 -3.404 1.00 0.00 ? 25 GLU B HA 24 ATOM 33753 H HB2 . GLU B 1 25 ? -3.636 5.694 -4.787 1.00 0.00 ? 25 GLU B HB2 24 ATOM 33754 H HB3 . GLU B 1 25 ? -4.429 4.770 -6.056 1.00 0.00 ? 25 GLU B HB3 24 ATOM 33755 H HG2 . GLU B 1 25 ? -5.868 6.414 -6.525 1.00 0.00 ? 25 GLU B HG2 24 ATOM 33756 H HG3 . GLU B 1 25 ? -6.121 6.813 -4.826 1.00 0.00 ? 25 GLU B HG3 24 ATOM 33757 N N . ARG B 1 26 ? -5.894 2.525 -5.347 1.00 0.00 ? 26 ARG B N 24 ATOM 33758 C CA . ARG B 1 26 ? -6.795 1.584 -5.999 1.00 0.00 ? 26 ARG B CA 24 ATOM 33759 C C . ARG B 1 26 ? -7.813 1.050 -4.999 1.00 0.00 ? 26 ARG B C 24 ATOM 33760 O O . ARG B 1 26 ? -8.988 0.872 -5.324 1.00 0.00 ? 26 ARG B O 24 ATOM 33761 C CB . ARG B 1 26 ? -6.005 0.427 -6.613 1.00 0.00 ? 26 ARG B CB 24 ATOM 33762 C CG . ARG B 1 26 ? -5.676 0.628 -8.083 1.00 0.00 ? 26 ARG B CG 24 ATOM 33763 C CD . ARG B 1 26 ? -6.930 0.877 -8.906 1.00 0.00 ? 26 ARG B CD 24 ATOM 33764 N NE . ARG B 1 26 ? -6.936 2.208 -9.506 1.00 0.00 ? 26 ARG B NE 24 ATOM 33765 C CZ . ARG B 1 26 ? -8.029 2.798 -9.977 1.00 0.00 ? 26 ARG B CZ 24 ATOM 33766 N NH1 . ARG B 1 26 ? -9.199 2.177 -9.917 1.00 0.00 ? 26 ARG B NH1 24 ATOM 33767 N NH2 . ARG B 1 26 ? -7.954 4.011 -10.509 1.00 0.00 ? 26 ARG B NH2 24 ATOM 33768 H H . ARG B 1 26 ? -4.933 2.330 -5.324 1.00 0.00 ? 26 ARG B H 24 ATOM 33769 H HA . ARG B 1 26 ? -7.317 2.112 -6.783 1.00 0.00 ? 26 ARG B HA 24 ATOM 33770 H HB2 . ARG B 1 26 ? -5.079 0.310 -6.071 1.00 0.00 ? 26 ARG B HB2 24 ATOM 33771 H HB3 . ARG B 1 26 ? -6.585 -0.480 -6.517 1.00 0.00 ? 26 ARG B HB3 24 ATOM 33772 H HG2 . ARG B 1 26 ? -5.018 1.479 -8.182 1.00 0.00 ? 26 ARG B HG2 24 ATOM 33773 H HG3 . ARG B 1 26 ? -5.181 -0.257 -8.455 1.00 0.00 ? 26 ARG B HG3 24 ATOM 33774 H HD2 . ARG B 1 26 ? -6.982 0.139 -9.691 1.00 0.00 ? 26 ARG B HD2 24 ATOM 33775 H HD3 . ARG B 1 26 ? -7.792 0.778 -8.263 1.00 0.00 ? 26 ARG B HD3 24 ATOM 33776 H HE . ARG B 1 26 ? -6.081 2.686 -9.561 1.00 0.00 ? 26 ARG B HE 24 ATOM 33777 H HH11 . ARG B 1 26 ? -9.259 1.262 -9.516 1.00 0.00 ? 26 ARG B HH11 24 ATOM 33778 H HH12 . ARG B 1 26 ? -10.021 2.623 -10.272 1.00 0.00 ? 26 ARG B HH12 24 ATOM 33779 H HH21 . ARG B 1 26 ? -7.074 4.482 -10.555 1.00 0.00 ? 26 ARG B HH21 24 ATOM 33780 H HH22 . ARG B 1 26 ? -8.777 4.454 -10.863 1.00 0.00 ? 26 ARG B HH22 24 ATOM 33781 N N . HIS B 1 27 ? -7.357 0.812 -3.772 1.00 0.00 ? 27 HIS B N 24 ATOM 33782 C CA . HIS B 1 27 ? -8.232 0.315 -2.723 1.00 0.00 ? 27 HIS B CA 24 ATOM 33783 C C . HIS B 1 27 ? -9.267 1.373 -2.364 1.00 0.00 ? 27 HIS B C 24 ATOM 33784 O O . HIS B 1 27 ? -10.374 1.054 -1.933 1.00 0.00 ? 27 HIS B O 24 ATOM 33785 C CB . HIS B 1 27 ? -7.419 -0.068 -1.486 1.00 0.00 ? 27 HIS B CB 24 ATOM 33786 C CG . HIS B 1 27 ? -7.373 -1.542 -1.234 1.00 0.00 ? 27 HIS B CG 24 ATOM 33787 N ND1 . HIS B 1 27 ? -8.498 -2.298 -0.979 1.00 0.00 ? 27 HIS B ND1 24 ATOM 33788 C CD2 . HIS B 1 27 ? -6.328 -2.403 -1.200 1.00 0.00 ? 27 HIS B CD2 24 ATOM 33789 C CE1 . HIS B 1 27 ? -8.148 -3.559 -0.798 1.00 0.00 ? 27 HIS B CE1 24 ATOM 33790 N NE2 . HIS B 1 27 ? -6.837 -3.649 -0.928 1.00 0.00 ? 27 HIS B NE2 24 ATOM 33791 H H . HIS B 1 27 ? -6.414 0.986 -3.565 1.00 0.00 ? 27 HIS B H 24 ATOM 33792 H HA . HIS B 1 27 ? -8.742 -0.560 -3.099 1.00 0.00 ? 27 HIS B HA 24 ATOM 33793 H HB2 . HIS B 1 27 ? -6.403 0.279 -1.610 1.00 0.00 ? 27 HIS B HB2 24 ATOM 33794 H HB3 . HIS B 1 27 ? -7.852 0.406 -0.618 1.00 0.00 ? 27 HIS B HB3 24 ATOM 33795 H HD1 . HIS B 1 27 ? -9.417 -1.960 -0.935 1.00 0.00 ? 27 HIS B HD1 24 ATOM 33796 H HD2 . HIS B 1 27 ? -5.288 -2.156 -1.359 1.00 0.00 ? 27 HIS B HD2 24 ATOM 33797 H HE1 . HIS B 1 27 ? -8.819 -4.377 -0.582 1.00 0.00 ? 27 HIS B HE1 24 ATOM 33798 H HE2 . HIS B 1 27 ? -6.314 -4.474 -0.842 1.00 0.00 ? 27 HIS B HE2 24 ATOM 33799 N N . LYS B 1 28 ? -8.895 2.636 -2.554 1.00 0.00 ? 28 LYS B N 24 ATOM 33800 C CA . LYS B 1 28 ? -9.785 3.751 -2.260 1.00 0.00 ? 28 LYS B CA 24 ATOM 33801 C C . LYS B 1 28 ? -10.891 3.845 -3.304 1.00 0.00 ? 28 LYS B C 24 ATOM 33802 O O . LYS B 1 28 ? -12.004 4.279 -3.007 1.00 0.00 ? 28 LYS B O 24 ATOM 33803 C CB . LYS B 1 28 ? -8.998 5.061 -2.210 1.00 0.00 ? 28 LYS B CB 24 ATOM 33804 C CG . LYS B 1 28 ? -8.009 5.133 -1.058 1.00 0.00 ? 28 LYS B CG 24 ATOM 33805 C CD . LYS B 1 28 ? -7.208 6.425 -1.091 1.00 0.00 ? 28 LYS B CD 24 ATOM 33806 C CE . LYS B 1 28 ? -8.022 7.600 -0.577 1.00 0.00 ? 28 LYS B CE 24 ATOM 33807 N NZ . LYS B 1 28 ? -7.171 8.606 0.115 1.00 0.00 ? 28 LYS B NZ 24 ATOM 33808 H H . LYS B 1 28 ? -7.999 2.823 -2.905 1.00 0.00 ? 28 LYS B H 24 ATOM 33809 H HA . LYS B 1 28 ? -10.231 3.572 -1.295 1.00 0.00 ? 28 LYS B HA 24 ATOM 33810 H HB2 . LYS B 1 28 ? -8.450 5.174 -3.134 1.00 0.00 ? 28 LYS B HB2 24 ATOM 33811 H HB3 . LYS B 1 28 ? -9.693 5.882 -2.113 1.00 0.00 ? 28 LYS B HB3 24 ATOM 33812 H HG2 . LYS B 1 28 ? -8.553 5.084 -0.127 1.00 0.00 ? 28 LYS B HG2 24 ATOM 33813 H HG3 . LYS B 1 28 ? -7.330 4.297 -1.126 1.00 0.00 ? 28 LYS B HG3 24 ATOM 33814 H HD2 . LYS B 1 28 ? -6.332 6.308 -0.472 1.00 0.00 ? 28 LYS B HD2 24 ATOM 33815 H HD3 . LYS B 1 28 ? -6.907 6.623 -2.109 1.00 0.00 ? 28 LYS B HD3 24 ATOM 33816 H HE2 . LYS B 1 28 ? -8.515 8.073 -1.413 1.00 0.00 ? 28 LYS B HE2 24 ATOM 33817 H HE3 . LYS B 1 28 ? -8.766 7.231 0.115 1.00 0.00 ? 28 LYS B HE3 24 ATOM 33818 H HZ1 . LYS B 1 28 ? -6.288 8.164 0.440 1.00 0.00 ? 28 LYS B HZ1 24 ATOM 33819 H HZ2 . LYS B 1 28 ? -6.938 9.385 -0.534 1.00 0.00 ? 28 LYS B HZ2 24 ATOM 33820 H HZ3 . LYS B 1 28 ? -7.674 8.994 0.939 1.00 0.00 ? 28 LYS B HZ3 24 ATOM 33821 N N . GLN B 1 29 ? -10.576 3.432 -4.528 1.00 0.00 ? 29 GLN B N 24 ATOM 33822 C CA . GLN B 1 29 ? -11.545 3.464 -5.616 1.00 0.00 ? 29 GLN B CA 24 ATOM 33823 C C . GLN B 1 29 ? -12.624 2.408 -5.411 1.00 0.00 ? 29 GLN B C 24 ATOM 33824 O O . GLN B 1 29 ? -13.804 2.656 -5.657 1.00 0.00 ? 29 GLN B O 24 ATOM 33825 C CB . GLN B 1 29 ? -10.844 3.243 -6.958 1.00 0.00 ? 29 GLN B CB 24 ATOM 33826 C CG . GLN B 1 29 ? -11.767 3.385 -8.157 1.00 0.00 ? 29 GLN B CG 24 ATOM 33827 C CD . GLN B 1 29 ? -11.756 4.784 -8.739 1.00 0.00 ? 29 GLN B CD 24 ATOM 33828 O OE1 . GLN B 1 29 ? -10.976 5.088 -9.642 1.00 0.00 ? 29 GLN B OE1 24 ATOM 33829 N NE2 . GLN B 1 29 ? -12.624 5.647 -8.224 1.00 0.00 ? 29 GLN B NE2 24 ATOM 33830 H H . GLN B 1 29 ? -9.674 3.093 -4.701 1.00 0.00 ? 29 GLN B H 24 ATOM 33831 H HA . GLN B 1 29 ? -12.008 4.440 -5.618 1.00 0.00 ? 29 GLN B HA 24 ATOM 33832 H HB2 . GLN B 1 29 ? -10.046 3.964 -7.058 1.00 0.00 ? 29 GLN B HB2 24 ATOM 33833 H HB3 . GLN B 1 29 ? -10.422 2.249 -6.972 1.00 0.00 ? 29 GLN B HB3 24 ATOM 33834 H HG2 . GLN B 1 29 ? -11.452 2.691 -8.922 1.00 0.00 ? 29 GLN B HG2 24 ATOM 33835 H HG3 . GLN B 1 29 ? -12.776 3.146 -7.849 1.00 0.00 ? 29 GLN B HG3 24 ATOM 33836 H HE21 . GLN B 1 29 ? -13.214 5.337 -7.506 1.00 0.00 ? 29 GLN B HE21 24 ATOM 33837 H HE22 . GLN B 1 29 ? -12.637 6.560 -8.582 1.00 0.00 ? 29 GLN B HE22 24 ATOM 33838 N N . SER B 1 30 ? -12.212 1.228 -4.957 1.00 0.00 ? 30 SER B N 24 ATOM 33839 C CA . SER B 1 30 ? -13.147 0.135 -4.715 1.00 0.00 ? 30 SER B CA 24 ATOM 33840 C C . SER B 1 30 ? -14.061 0.452 -3.536 1.00 0.00 ? 30 SER B C 24 ATOM 33841 O O . SER B 1 30 ? -15.270 0.226 -3.595 1.00 0.00 ? 30 SER B O 24 ATOM 33842 C CB . SER B 1 30 ? -12.386 -1.166 -4.450 1.00 0.00 ? 30 SER B CB 24 ATOM 33843 O OG . SER B 1 30 ? -12.988 -2.255 -5.127 1.00 0.00 ? 30 SER B OG 24 ATOM 33844 H H . SER B 1 30 ? -11.256 1.091 -4.778 1.00 0.00 ? 30 SER B H 24 ATOM 33845 H HA . SER B 1 30 ? -13.751 0.014 -5.602 1.00 0.00 ? 30 SER B HA 24 ATOM 33846 H HB2 . SER B 1 30 ? -11.368 -1.062 -4.796 1.00 0.00 ? 30 SER B HB2 24 ATOM 33847 H HB3 . SER B 1 30 ? -12.387 -1.372 -3.390 1.00 0.00 ? 30 SER B HB3 24 ATOM 33848 H HG . SER B 1 30 ? -12.306 -2.853 -5.444 1.00 0.00 ? 30 SER B HG 24 ATOM 33849 N N . ILE B 1 31 ? -13.475 0.975 -2.464 1.00 0.00 ? 31 ILE B N 24 ATOM 33850 C CA . ILE B 1 31 ? -14.232 1.325 -1.264 1.00 0.00 ? 31 ILE B CA 24 ATOM 33851 C C . ILE B 1 31 ? -15.127 2.535 -1.509 1.00 0.00 ? 31 ILE B C 24 ATOM 33852 O O . ILE B 1 31 ? -16.150 2.707 -0.845 1.00 0.00 ? 31 ILE B O 24 ATOM 33853 C CB . ILE B 1 31 ? -13.292 1.617 -0.075 1.00 0.00 ? 31 ILE B CB 24 ATOM 33854 C CG1 . ILE B 1 31 ? -14.086 2.004 1.171 1.00 0.00 ? 31 ILE B CG1 24 ATOM 33855 C CG2 . ILE B 1 31 ? -12.316 2.730 -0.425 1.00 0.00 ? 31 ILE B CG2 24 ATOM 33856 C CD1 . ILE B 1 31 ? -14.781 0.841 1.834 1.00 0.00 ? 31 ILE B CD1 24 ATOM 33857 H H . ILE B 1 31 ? -12.507 1.127 -2.480 1.00 0.00 ? 31 ILE B H 24 ATOM 33858 H HA . ILE B 1 31 ? -14.852 0.478 -1.005 1.00 0.00 ? 31 ILE B HA 24 ATOM 33859 H HB . ILE B 1 31 ? -12.727 0.718 0.132 1.00 0.00 ? 31 ILE B HB 24 ATOM 33860 H HG12 . ILE B 1 31 ? -13.409 2.437 1.896 1.00 0.00 ? 31 ILE B HG12 24 ATOM 33861 H HG13 . ILE B 1 31 ? -14.835 2.734 0.903 1.00 0.00 ? 31 ILE B HG13 24 ATOM 33862 H HG21 . ILE B 1 31 ? -11.876 2.539 -1.391 1.00 0.00 ? 31 ILE B HG21 24 ATOM 33863 H HG22 . ILE B 1 31 ? -12.842 3.672 -0.451 1.00 0.00 ? 31 ILE B HG22 24 ATOM 33864 H HG23 . ILE B 1 31 ? -11.539 2.774 0.322 1.00 0.00 ? 31 ILE B HG23 24 ATOM 33865 H HD11 . ILE B 1 31 ? -15.224 0.207 1.081 1.00 0.00 ? 31 ILE B HD11 24 ATOM 33866 H HD12 . ILE B 1 31 ? -14.061 0.274 2.404 1.00 0.00 ? 31 ILE B HD12 24 ATOM 33867 H HD13 . ILE B 1 31 ? -15.552 1.210 2.494 1.00 0.00 ? 31 ILE B HD13 24 ATOM 33868 N N . LYS B 1 32 ? -14.737 3.372 -2.465 1.00 0.00 ? 32 LYS B N 24 ATOM 33869 C CA . LYS B 1 32 ? -15.508 4.565 -2.796 1.00 0.00 ? 32 LYS B CA 24 ATOM 33870 C C . LYS B 1 32 ? -16.707 4.216 -3.673 1.00 0.00 ? 32 LYS B C 24 ATOM 33871 O O . LYS B 1 32 ? -17.757 4.852 -3.585 1.00 0.00 ? 32 LYS B O 24 ATOM 33872 C CB . LYS B 1 32 ? -14.622 5.589 -3.510 1.00 0.00 ? 32 LYS B CB 24 ATOM 33873 C CG . LYS B 1 32 ? -14.054 6.652 -2.584 1.00 0.00 ? 32 LYS B CG 24 ATOM 33874 C CD . LYS B 1 32 ? -13.632 7.892 -3.353 1.00 0.00 ? 32 LYS B CD 24 ATOM 33875 C CE . LYS B 1 32 ? -14.808 8.525 -4.081 1.00 0.00 ? 32 LYS B CE 24 ATOM 33876 N NZ . LYS B 1 32 ? -14.506 9.912 -4.525 1.00 0.00 ? 32 LYS B NZ 24 ATOM 33877 H H . LYS B 1 32 ? -13.913 3.181 -2.962 1.00 0.00 ? 32 LYS B H 24 ATOM 33878 H HA . LYS B 1 32 ? -15.866 4.995 -1.873 1.00 0.00 ? 32 LYS B HA 24 ATOM 33879 H HB2 . LYS B 1 32 ? -13.798 5.071 -3.978 1.00 0.00 ? 32 LYS B HB2 24 ATOM 33880 H HB3 . LYS B 1 32 ? -15.206 6.082 -4.273 1.00 0.00 ? 32 LYS B HB3 24 ATOM 33881 H HG2 . LYS B 1 32 ? -14.809 6.928 -1.863 1.00 0.00 ? 32 LYS B HG2 24 ATOM 33882 H HG3 . LYS B 1 32 ? -13.194 6.246 -2.071 1.00 0.00 ? 32 LYS B HG3 24 ATOM 33883 H HD2 . LYS B 1 32 ? -13.221 8.612 -2.660 1.00 0.00 ? 32 LYS B HD2 24 ATOM 33884 H HD3 . LYS B 1 32 ? -12.879 7.617 -4.076 1.00 0.00 ? 32 LYS B HD3 24 ATOM 33885 H HE2 . LYS B 1 32 ? -15.045 7.923 -4.945 1.00 0.00 ? 32 LYS B HE2 24 ATOM 33886 H HE3 . LYS B 1 32 ? -15.657 8.546 -3.413 1.00 0.00 ? 32 LYS B HE3 24 ATOM 33887 H HZ1 . LYS B 1 32 ? -13.477 10.065 -4.549 1.00 0.00 ? 32 LYS B HZ1 24 ATOM 33888 H HZ2 . LYS B 1 32 ? -14.890 10.074 -5.478 1.00 0.00 ? 32 LYS B HZ2 24 ATOM 33889 H HZ3 . LYS B 1 32 ? -14.931 10.599 -3.870 1.00 0.00 ? 32 LYS B HZ3 24 ATOM 33890 N N . LYS B 1 33 ? -16.542 3.203 -4.517 1.00 0.00 ? 33 LYS B N 24 ATOM 33891 C CA . LYS B 1 33 ? -17.611 2.770 -5.409 1.00 0.00 ? 33 LYS B CA 24 ATOM 33892 C C . LYS B 1 33 ? -18.628 1.916 -4.661 1.00 0.00 ? 33 LYS B C 24 ATOM 33893 O O . LYS B 1 33 ? -19.815 1.914 -4.987 1.00 0.00 ? 33 LYS B O 24 ATOM 33894 C CB . LYS B 1 33 ? -17.034 1.984 -6.587 1.00 0.00 ? 33 LYS B CB 24 ATOM 33895 C CG . LYS B 1 33 ? -18.091 1.454 -7.542 1.00 0.00 ? 33 LYS B CG 24 ATOM 33896 C CD . LYS B 1 33 ? -17.475 0.594 -8.633 1.00 0.00 ? 33 LYS B CD 24 ATOM 33897 C CE . LYS B 1 33 ? -18.147 -0.767 -8.717 1.00 0.00 ? 33 LYS B CE 24 ATOM 33898 N NZ . LYS B 1 33 ? -17.209 -1.822 -9.192 1.00 0.00 ? 33 LYS B NZ 24 ATOM 33899 H H . LYS B 1 33 ? -15.681 2.735 -4.541 1.00 0.00 ? 33 LYS B H 24 ATOM 33900 H HA . LYS B 1 33 ? -18.108 3.653 -5.784 1.00 0.00 ? 33 LYS B HA 24 ATOM 33901 H HB2 . LYS B 1 33 ? -16.368 2.628 -7.143 1.00 0.00 ? 33 LYS B HB2 24 ATOM 33902 H HB3 . LYS B 1 33 ? -16.471 1.145 -6.204 1.00 0.00 ? 33 LYS B HB3 24 ATOM 33903 H HG2 . LYS B 1 33 ? -18.798 0.858 -6.984 1.00 0.00 ? 33 LYS B HG2 24 ATOM 33904 H HG3 . LYS B 1 33 ? -18.602 2.289 -7.999 1.00 0.00 ? 33 LYS B HG3 24 ATOM 33905 H HD2 . LYS B 1 33 ? -17.585 1.097 -9.581 1.00 0.00 ? 33 LYS B HD2 24 ATOM 33906 H HD3 . LYS B 1 33 ? -16.425 0.454 -8.418 1.00 0.00 ? 33 LYS B HD3 24 ATOM 33907 H HE2 . LYS B 1 33 ? -18.510 -1.036 -7.736 1.00 0.00 ? 33 LYS B HE2 24 ATOM 33908 H HE3 . LYS B 1 33 ? -18.980 -0.702 -9.402 1.00 0.00 ? 33 LYS B HE3 24 ATOM 33909 H HZ1 . LYS B 1 33 ? -16.234 -1.461 -9.189 1.00 0.00 ? 33 LYS B HZ1 24 ATOM 33910 H HZ2 . LYS B 1 33 ? -17.263 -2.653 -8.568 1.00 0.00 ? 33 LYS B HZ2 24 ATOM 33911 H HZ3 . LYS B 1 33 ? -17.458 -2.112 -10.159 1.00 0.00 ? 33 LYS B HZ3 24 ATOM 33912 N N . LEU B 1 34 ? -18.153 1.191 -3.654 1.00 0.00 ? 34 LEU B N 24 ATOM 33913 C CA . LEU B 1 34 ? -19.019 0.332 -2.854 1.00 0.00 ? 34 LEU B CA 24 ATOM 33914 C C . LEU B 1 34 ? -19.790 1.155 -1.827 1.00 0.00 ? 34 LEU B C 24 ATOM 33915 O O . LEU B 1 34 ? -20.916 0.814 -1.465 1.00 0.00 ? 34 LEU B O 24 ATOM 33916 C CB . LEU B 1 34 ? -18.190 -0.747 -2.153 1.00 0.00 ? 34 LEU B CB 24 ATOM 33917 C CG . LEU B 1 34 ? -18.519 -2.184 -2.562 1.00 0.00 ? 34 LEU B CG 24 ATOM 33918 C CD1 . LEU B 1 34 ? -17.486 -3.148 -1.999 1.00 0.00 ? 34 LEU B CD1 24 ATOM 33919 C CD2 . LEU B 1 34 ? -19.916 -2.566 -2.095 1.00 0.00 ? 34 LEU B CD2 24 ATOM 33920 H H . LEU B 1 34 ? -17.198 1.236 -3.441 1.00 0.00 ? 34 LEU B H 24 ATOM 33921 H HA . LEU B 1 34 ? -19.723 -0.142 -3.521 1.00 0.00 ? 34 LEU B HA 24 ATOM 33922 H HB2 . LEU B 1 34 ? -17.148 -0.564 -2.365 1.00 0.00 ? 34 LEU B HB2 24 ATOM 33923 H HB3 . LEU B 1 34 ? -18.344 -0.656 -1.088 1.00 0.00 ? 34 LEU B HB3 24 ATOM 33924 H HG . LEU B 1 34 ? -18.493 -2.259 -3.639 1.00 0.00 ? 34 LEU B HG 24 ATOM 33925 H HD11 . LEU B 1 34 ? -16.507 -2.882 -2.368 1.00 0.00 ? 34 LEU B HD11 24 ATOM 33926 H HD12 . LEU B 1 34 ? -17.492 -3.092 -0.920 1.00 0.00 ? 34 LEU B HD12 24 ATOM 33927 H HD13 . LEU B 1 34 ? -17.727 -4.155 -2.309 1.00 0.00 ? 34 LEU B HD13 24 ATOM 33928 H HD21 . LEU B 1 34 ? -20.524 -1.677 -2.012 1.00 0.00 ? 34 LEU B HD21 24 ATOM 33929 H HD22 . LEU B 1 34 ? -20.363 -3.241 -2.810 1.00 0.00 ? 34 LEU B HD22 24 ATOM 33930 H HD23 . LEU B 1 34 ? -19.854 -3.052 -1.132 1.00 0.00 ? 34 LEU B HD23 24 ATOM 33931 N N . LYS B 1 35 ? -19.179 2.241 -1.368 1.00 0.00 ? 35 LYS B N 24 ATOM 33932 C CA . LYS B 1 35 ? -19.811 3.115 -0.388 1.00 0.00 ? 35 LYS B CA 24 ATOM 33933 C C . LYS B 1 35 ? -20.828 4.031 -1.061 1.00 0.00 ? 35 LYS B C 24 ATOM 33934 O O . LYS B 1 35 ? -21.869 4.348 -0.487 1.00 0.00 ? 35 LYS B O 24 ATOM 33935 C CB . LYS B 1 35 ? -18.757 3.951 0.340 1.00 0.00 ? 35 LYS B CB 24 ATOM 33936 C CG . LYS B 1 35 ? -18.337 3.367 1.679 1.00 0.00 ? 35 LYS B CG 24 ATOM 33937 C CD . LYS B 1 35 ? -17.663 4.412 2.554 1.00 0.00 ? 35 LYS B CD 24 ATOM 33938 C CE . LYS B 1 35 ? -16.641 3.782 3.486 1.00 0.00 ? 35 LYS B CE 24 ATOM 33939 N NZ . LYS B 1 35 ? -16.842 4.207 4.899 1.00 0.00 ? 35 LYS B NZ 24 ATOM 33940 H H . LYS B 1 35 ? -18.283 2.462 -1.698 1.00 0.00 ? 35 LYS B H 24 ATOM 33941 H HA . LYS B 1 35 ? -20.325 2.493 0.329 1.00 0.00 ? 35 LYS B HA 24 ATOM 33942 H HB2 . LYS B 1 35 ? -17.880 4.028 -0.286 1.00 0.00 ? 35 LYS B HB2 24 ATOM 33943 H HB3 . LYS B 1 35 ? -19.154 4.940 0.511 1.00 0.00 ? 35 LYS B HB3 24 ATOM 33944 H HG2 . LYS B 1 35 ? -19.213 2.996 2.190 1.00 0.00 ? 35 LYS B HG2 24 ATOM 33945 H HG3 . LYS B 1 35 ? -17.647 2.555 1.506 1.00 0.00 ? 35 LYS B HG3 24 ATOM 33946 H HD2 . LYS B 1 35 ? -17.162 5.129 1.921 1.00 0.00 ? 35 LYS B HD2 24 ATOM 33947 H HD3 . LYS B 1 35 ? -18.415 4.914 3.144 1.00 0.00 ? 35 LYS B HD3 24 ATOM 33948 H HE2 . LYS B 1 35 ? -16.733 2.707 3.427 1.00 0.00 ? 35 LYS B HE2 24 ATOM 33949 H HE3 . LYS B 1 35 ? -15.652 4.076 3.168 1.00 0.00 ? 35 LYS B HE3 24 ATOM 33950 H HZ1 . LYS B 1 35 ? -17.730 4.741 4.988 1.00 0.00 ? 35 LYS B HZ1 24 ATOM 33951 H HZ2 . LYS B 1 35 ? -16.889 3.375 5.521 1.00 0.00 ? 35 LYS B HZ2 24 ATOM 33952 H HZ3 . LYS B 1 35 ? -16.053 4.811 5.207 1.00 0.00 ? 35 LYS B HZ3 24 ATOM 33953 N N . GLN B 1 36 ? -20.520 4.448 -2.285 1.00 0.00 ? 36 GLN B N 24 ATOM 33954 C CA . GLN B 1 36 ? -21.408 5.323 -3.039 1.00 0.00 ? 36 GLN B CA 24 ATOM 33955 C C . GLN B 1 36 ? -22.596 4.540 -3.588 1.00 0.00 ? 36 GLN B C 24 ATOM 33956 O O . GLN B 1 36 ? -23.692 5.078 -3.739 1.00 0.00 ? 36 GLN B O 24 ATOM 33957 C CB . GLN B 1 36 ? -20.650 5.994 -4.186 1.00 0.00 ? 36 GLN B CB 24 ATOM 33958 C CG . GLN B 1 36 ? -21.520 6.895 -5.047 1.00 0.00 ? 36 GLN B CG 24 ATOM 33959 C CD . GLN B 1 36 ? -22.243 7.953 -4.236 1.00 0.00 ? 36 GLN B CD 24 ATOM 33960 O OE1 . GLN B 1 36 ? -21.622 8.863 -3.688 1.00 0.00 ? 36 GLN B OE1 24 ATOM 33961 N NE2 . GLN B 1 36 ? -23.563 7.838 -4.157 1.00 0.00 ? 36 GLN B NE2 24 ATOM 33962 H H . GLN B 1 36 ? -19.676 4.158 -2.691 1.00 0.00 ? 36 GLN B H 24 ATOM 33963 H HA . GLN B 1 36 ? -21.775 6.084 -2.367 1.00 0.00 ? 36 GLN B HA 24 ATOM 33964 H HB2 . GLN B 1 36 ? -19.849 6.590 -3.773 1.00 0.00 ? 36 GLN B HB2 24 ATOM 33965 H HB3 . GLN B 1 36 ? -20.226 5.228 -4.819 1.00 0.00 ? 36 GLN B HB3 24 ATOM 33966 H HG2 . GLN B 1 36 ? -20.894 7.388 -5.776 1.00 0.00 ? 36 GLN B HG2 24 ATOM 33967 H HG3 . GLN B 1 36 ? -22.253 6.287 -5.555 1.00 0.00 ? 36 GLN B HG3 24 ATOM 33968 H HE21 . GLN B 1 36 ? -23.990 7.087 -4.619 1.00 0.00 ? 36 GLN B HE21 24 ATOM 33969 H HE22 . GLN B 1 36 ? -24.056 8.509 -3.640 1.00 0.00 ? 36 GLN B HE22 24 ATOM 33970 N N . SER B 1 37 ? -22.368 3.263 -3.881 1.00 0.00 ? 37 SER B N 24 ATOM 33971 C CA . SER B 1 37 ? -23.420 2.402 -4.408 1.00 0.00 ? 37 SER B CA 24 ATOM 33972 C C . SER B 1 37 ? -24.425 2.052 -3.317 1.00 0.00 ? 37 SER B C 24 ATOM 33973 O O . SER B 1 37 ? -25.592 1.777 -3.598 1.00 0.00 ? 37 SER B O 24 ATOM 33974 C CB . SER B 1 37 ? -22.818 1.123 -4.994 1.00 0.00 ? 37 SER B CB 24 ATOM 33975 O OG . SER B 1 37 ? -23.754 0.449 -5.815 1.00 0.00 ? 37 SER B OG 24 ATOM 33976 H H . SER B 1 37 ? -21.474 2.890 -3.735 1.00 0.00 ? 37 SER B H 24 ATOM 33977 H HA . SER B 1 37 ? -23.930 2.942 -5.191 1.00 0.00 ? 37 SER B HA 24 ATOM 33978 H HB2 . SER B 1 37 ? -21.952 1.375 -5.588 1.00 0.00 ? 37 SER B HB2 24 ATOM 33979 H HB3 . SER B 1 37 ? -22.522 0.466 -4.189 1.00 0.00 ? 37 SER B HB3 24 ATOM 33980 H HG . SER B 1 37 ? -23.477 -0.463 -5.934 1.00 0.00 ? 37 SER B HG 24 ATOM 33981 N N . GLU B 1 38 ? -23.964 2.067 -2.070 1.00 0.00 ? 38 GLU B N 24 ATOM 33982 C CA . GLU B 1 38 ? -24.823 1.754 -0.934 1.00 0.00 ? 38 GLU B CA 24 ATOM 33983 C C . GLU B 1 38 ? -25.866 2.846 -0.728 1.00 0.00 ? 38 GLU B C 24 ATOM 33984 O O . GLU B 1 38 ? -26.986 2.576 -0.295 1.00 0.00 ? 38 GLU B O 24 ATOM 33985 C CB . GLU B 1 38 ? -23.985 1.585 0.335 1.00 0.00 ? 38 GLU B CB 24 ATOM 33986 C CG . GLU B 1 38 ? -24.163 0.232 1.005 1.00 0.00 ? 38 GLU B CG 24 ATOM 33987 C CD . GLU B 1 38 ? -23.124 -0.025 2.080 1.00 0.00 ? 38 GLU B CD 24 ATOM 33988 O OE1 . GLU B 1 38 ? -22.473 0.944 2.521 1.00 0.00 ? 38 GLU B OE1 24 ATOM 33989 O OE2 . GLU B 1 38 ? -22.962 -1.198 2.479 1.00 0.00 ? 38 GLU B OE2 24 ATOM 33990 H H . GLU B 1 38 ? -23.024 2.296 -1.909 1.00 0.00 ? 38 GLU B H 24 ATOM 33991 H HA . GLU B 1 38 ? -25.330 0.824 -1.148 1.00 0.00 ? 38 GLU B HA 24 ATOM 33992 H HB2 . GLU B 1 38 ? -22.942 1.703 0.082 1.00 0.00 ? 38 GLU B HB2 24 ATOM 33993 H HB3 . GLU B 1 38 ? -24.264 2.352 1.041 1.00 0.00 ? 38 GLU B HB3 24 ATOM 33994 H HG2 . GLU B 1 38 ? -25.143 0.196 1.458 1.00 0.00 ? 38 GLU B HG2 24 ATOM 33995 H HG3 . GLU B 1 38 ? -24.083 -0.540 0.254 1.00 0.00 ? 38 GLU B HG3 24 ATOM 33996 N N . ASP B 1 39 ? -25.489 4.082 -1.041 1.00 0.00 ? 39 ASP B N 24 ATOM 33997 C CA . ASP B 1 39 ? -26.393 5.217 -0.891 1.00 0.00 ? 39 ASP B CA 24 ATOM 33998 C C . ASP B 1 39 ? -27.601 5.073 -1.811 1.00 0.00 ? 39 ASP B C 24 ATOM 33999 O O . ASP B 1 39 ? -28.676 5.601 -1.526 1.00 0.00 ? 39 ASP B O 24 ATOM 34000 C CB . ASP B 1 39 ? -25.657 6.523 -1.195 1.00 0.00 ? 39 ASP B CB 24 ATOM 34001 C CG . ASP B 1 39 ? -26.419 7.741 -0.711 1.00 0.00 ? 39 ASP B CG 24 ATOM 34002 O OD1 . ASP B 1 39 ? -27.653 7.784 -0.902 1.00 0.00 ? 39 ASP B OD1 24 ATOM 34003 O OD2 . ASP B 1 39 ? -25.783 8.652 -0.142 1.00 0.00 ? 39 ASP B OD2 24 ATOM 34004 H H . ASP B 1 39 ? -24.583 4.234 -1.382 1.00 0.00 ? 39 ASP B H 24 ATOM 34005 H HA . ASP B 1 39 ? -26.734 5.236 0.132 1.00 0.00 ? 39 ASP B HA 24 ATOM 34006 H HB2 . ASP B 1 39 ? -24.694 6.508 -0.708 1.00 0.00 ? 39 ASP B HB2 24 ATOM 34007 H HB3 . ASP B 1 39 ? -25.515 6.609 -2.263 1.00 0.00 ? 39 ASP B HB3 24 ATOM 34008 N N . ASP B 1 40 ? -27.417 4.356 -2.914 1.00 0.00 ? 40 ASP B N 24 ATOM 34009 C CA . ASP B 1 40 ? -28.491 4.142 -3.875 1.00 0.00 ? 40 ASP B CA 24 ATOM 34010 C C . ASP B 1 40 ? -28.855 5.442 -4.585 1.00 0.00 ? 40 ASP B C 24 ATOM 34011 O O . ASP B 1 40 ? -28.968 6.494 -3.956 1.00 0.00 ? 40 ASP B O 24 ATOM 34012 C CB . ASP B 1 40 ? -29.725 3.569 -3.174 1.00 0.00 ? 40 ASP B CB 24 ATOM 34013 C CG . ASP B 1 40 ? -30.267 2.338 -3.873 1.00 0.00 ? 40 ASP B CG 24 ATOM 34014 O OD1 . ASP B 1 40 ? -29.801 2.037 -4.993 1.00 0.00 ? 40 ASP B OD1 24 ATOM 34015 O OD2 . ASP B 1 40 ? -31.158 1.675 -3.302 1.00 0.00 ? 40 ASP B OD2 24 ATOM 34016 H H . ASP B 1 40 ? -26.536 3.961 -3.085 1.00 0.00 ? 40 ASP B H 24 ATOM 34017 H HA . ASP B 1 40 ? -28.143 3.431 -4.610 1.00 0.00 ? 40 ASP B HA 24 ATOM 34018 H HB2 . ASP B 1 40 ? -29.462 3.298 -2.162 1.00 0.00 ? 40 ASP B HB2 24 ATOM 34019 H HB3 . ASP B 1 40 ? -30.501 4.320 -3.152 1.00 0.00 ? 40 ASP B HB3 24 ATOM 34020 N N . ASP B 1 41 ? -29.037 5.363 -5.899 1.00 0.00 ? 41 ASP B N 24 ATOM 34021 C CA . ASP B 1 41 ? -29.389 6.533 -6.694 1.00 0.00 ? 41 ASP B CA 24 ATOM 34022 C C . ASP B 1 41 ? -29.545 6.165 -8.165 1.00 0.00 ? 41 ASP B C 24 ATOM 34023 O O . ASP B 1 41 ? -29.710 7.086 -8.991 1.00 0.00 ? 41 ASP B O 24 ATOM 34024 C CB . ASP B 1 41 ? -28.323 7.620 -6.539 1.00 0.00 ? 41 ASP B CB 24 ATOM 34025 C CG . ASP B 1 41 ? -28.919 9.014 -6.516 1.00 0.00 ? 41 ASP B CG 24 ATOM 34026 O OD1 . ASP B 1 41 ? -29.650 9.363 -7.466 1.00 0.00 ? 41 ASP B OD1 24 ATOM 34027 O OD2 . ASP B 1 41 ? -28.655 9.756 -5.546 1.00 0.00 ? 41 ASP B OD2 24 ATOM 34028 O OXT . ASP B 1 41 ? -29.500 4.956 -8.480 1.00 0.00 ? 41 ASP B OXT 24 ATOM 34029 H H . ASP B 1 41 ? -28.934 4.495 -6.344 1.00 0.00 ? 41 ASP B H 24 ATOM 34030 H HA . ASP B 1 41 ? -30.331 6.911 -6.329 1.00 0.00 ? 41 ASP B HA 24 ATOM 34031 H HB2 . ASP B 1 41 ? -27.788 7.462 -5.615 1.00 0.00 ? 41 ASP B HB2 24 ATOM 34032 H HB3 . ASP B 1 41 ? -27.631 7.557 -7.366 1.00 0.00 ? 41 ASP B HB3 24 ATOM 34033 N N . ALA A 1 1 ? -32.357 7.083 3.183 1.00 0.00 ? 1 ALA A N 25 ATOM 34034 C CA . ALA A 1 1 ? -31.278 6.258 2.581 1.00 0.00 ? 1 ALA A CA 25 ATOM 34035 C C . ALA A 1 1 ? -30.276 5.810 3.639 1.00 0.00 ? 1 ALA A C 25 ATOM 34036 O O . ALA A 1 1 ? -29.461 6.603 4.111 1.00 0.00 ? 1 ALA A O 25 ATOM 34037 C CB . ALA A 1 1 ? -30.573 7.035 1.481 1.00 0.00 ? 1 ALA A CB 25 ATOM 34038 H H1 . ALA A 1 1 ? -32.487 6.766 4.165 1.00 0.00 ? 1 ALA A H1 25 ATOM 34039 H H2 . ALA A 1 1 ? -32.053 8.078 3.146 1.00 0.00 ? 1 ALA A H2 25 ATOM 34040 H H3 . ALA A 1 1 ? -33.221 6.933 2.625 1.00 0.00 ? 1 ALA A H3 25 ATOM 34041 H HA . ALA A 1 1 ? -31.729 5.382 2.136 1.00 0.00 ? 1 ALA A HA 25 ATOM 34042 H HB1 . ALA A 1 1 ? -29.972 6.359 0.890 1.00 0.00 ? 1 ALA A HB1 25 ATOM 34043 H HB2 . ALA A 1 1 ? -31.306 7.510 0.848 1.00 0.00 ? 1 ALA A HB2 25 ATOM 34044 H HB3 . ALA A 1 1 ? -29.937 7.789 1.923 1.00 0.00 ? 1 ALA A HB3 25 ATOM 34045 N N . LEU A 1 2 ? -30.341 4.535 4.007 1.00 0.00 ? 2 LEU A N 25 ATOM 34046 C CA . LEU A 1 2 ? -29.439 3.982 5.009 1.00 0.00 ? 2 LEU A CA 25 ATOM 34047 C C . LEU A 1 2 ? -28.736 2.735 4.481 1.00 0.00 ? 2 LEU A C 25 ATOM 34048 O O . LEU A 1 2 ? -27.561 2.780 4.117 1.00 0.00 ? 2 LEU A O 25 ATOM 34049 C CB . LEU A 1 2 ? -30.209 3.646 6.288 1.00 0.00 ? 2 LEU A CB 25 ATOM 34050 C CG . LEU A 1 2 ? -29.375 3.000 7.396 1.00 0.00 ? 2 LEU A CG 25 ATOM 34051 C CD1 . LEU A 1 2 ? -29.092 4.002 8.503 1.00 0.00 ? 2 LEU A CD1 25 ATOM 34052 C CD2 . LEU A 1 2 ? -30.087 1.775 7.950 1.00 0.00 ? 2 LEU A CD2 25 ATOM 34053 H H . LEU A 1 2 ? -31.012 3.951 3.594 1.00 0.00 ? 2 LEU A H 25 ATOM 34054 H HA . LEU A 1 2 ? -28.695 4.731 5.234 1.00 0.00 ? 2 LEU A HA 25 ATOM 34055 H HB2 . LEU A 1 2 ? -30.637 4.560 6.675 1.00 0.00 ? 2 LEU A HB2 25 ATOM 34056 H HB3 . LEU A 1 2 ? -31.013 2.972 6.033 1.00 0.00 ? 2 LEU A HB3 25 ATOM 34057 H HG . LEU A 1 2 ? -28.429 2.679 6.984 1.00 0.00 ? 2 LEU A HG 25 ATOM 34058 H HD11 . LEU A 1 2 ? -29.787 4.824 8.432 1.00 0.00 ? 2 LEU A HD11 25 ATOM 34059 H HD12 . LEU A 1 2 ? -29.205 3.518 9.463 1.00 0.00 ? 2 LEU A HD12 25 ATOM 34060 H HD13 . LEU A 1 2 ? -28.082 4.373 8.404 1.00 0.00 ? 2 LEU A HD13 25 ATOM 34061 H HD21 . LEU A 1 2 ? -30.491 1.193 7.136 1.00 0.00 ? 2 LEU A HD21 25 ATOM 34062 H HD22 . LEU A 1 2 ? -29.385 1.173 8.508 1.00 0.00 ? 2 LEU A HD22 25 ATOM 34063 H HD23 . LEU A 1 2 ? -30.889 2.090 8.601 1.00 0.00 ? 2 LEU A HD23 25 ATOM 34064 N N . LYS A 1 3 ? -29.463 1.623 4.443 1.00 0.00 ? 3 LYS A N 25 ATOM 34065 C CA . LYS A 1 3 ? -28.909 0.364 3.959 1.00 0.00 ? 3 LYS A CA 25 ATOM 34066 C C . LYS A 1 3 ? -27.715 -0.067 4.806 1.00 0.00 ? 3 LYS A C 25 ATOM 34067 O O . LYS A 1 3 ? -27.001 0.770 5.360 1.00 0.00 ? 3 LYS A O 25 ATOM 34068 C CB . LYS A 1 3 ? -28.487 0.497 2.495 1.00 0.00 ? 3 LYS A CB 25 ATOM 34069 C CG . LYS A 1 3 ? -29.658 0.549 1.527 1.00 0.00 ? 3 LYS A CG 25 ATOM 34070 C CD . LYS A 1 3 ? -30.375 1.887 1.593 1.00 0.00 ? 3 LYS A CD 25 ATOM 34071 C CE . LYS A 1 3 ? -29.438 3.039 1.266 1.00 0.00 ? 3 LYS A CE 25 ATOM 34072 N NZ . LYS A 1 3 ? -30.007 3.939 0.227 1.00 0.00 ? 3 LYS A NZ 25 ATOM 34073 H H . LYS A 1 3 ? -30.395 1.650 4.747 1.00 0.00 ? 3 LYS A H 25 ATOM 34074 H HA . LYS A 1 3 ? -29.679 -0.389 4.036 1.00 0.00 ? 3 LYS A HA 25 ATOM 34075 H HB2 . LYS A 1 3 ? -27.911 1.403 2.379 1.00 0.00 ? 3 LYS A HB2 25 ATOM 34076 H HB3 . LYS A 1 3 ? -27.868 -0.349 2.232 1.00 0.00 ? 3 LYS A HB3 25 ATOM 34077 H HG2 . LYS A 1 3 ? -29.290 0.400 0.523 1.00 0.00 ? 3 LYS A HG2 25 ATOM 34078 H HG3 . LYS A 1 3 ? -30.356 -0.236 1.779 1.00 0.00 ? 3 LYS A HG3 25 ATOM 34079 H HD2 . LYS A 1 3 ? -31.188 1.886 0.882 1.00 0.00 ? 3 LYS A HD2 25 ATOM 34080 H HD3 . LYS A 1 3 ? -30.767 2.026 2.590 1.00 0.00 ? 3 LYS A HD3 25 ATOM 34081 H HE2 . LYS A 1 3 ? -29.262 3.610 2.166 1.00 0.00 ? 3 LYS A HE2 25 ATOM 34082 H HE3 . LYS A 1 3 ? -28.502 2.634 0.909 1.00 0.00 ? 3 LYS A HE3 25 ATOM 34083 H HZ1 . LYS A 1 3 ? -30.377 3.379 -0.568 1.00 0.00 ? 3 LYS A HZ1 25 ATOM 34084 H HZ2 . LYS A 1 3 ? -30.782 4.506 0.628 1.00 0.00 ? 3 LYS A HZ2 25 ATOM 34085 H HZ3 . LYS A 1 3 ? -29.272 4.582 -0.130 1.00 0.00 ? 3 LYS A HZ3 25 ATOM 34086 N N . LYS A 1 4 ? -27.505 -1.375 4.902 1.00 0.00 ? 4 LYS A N 25 ATOM 34087 C CA . LYS A 1 4 ? -26.397 -1.915 5.682 1.00 0.00 ? 4 LYS A CA 25 ATOM 34088 C C . LYS A 1 4 ? -25.558 -2.883 4.850 1.00 0.00 ? 4 LYS A C 25 ATOM 34089 O O . LYS A 1 4 ? -24.819 -3.703 5.397 1.00 0.00 ? 4 LYS A O 25 ATOM 34090 C CB . LYS A 1 4 ? -26.922 -2.623 6.932 1.00 0.00 ? 4 LYS A CB 25 ATOM 34091 C CG . LYS A 1 4 ? -28.192 -3.423 6.691 1.00 0.00 ? 4 LYS A CG 25 ATOM 34092 C CD . LYS A 1 4 ? -28.945 -3.673 7.986 1.00 0.00 ? 4 LYS A CD 25 ATOM 34093 C CE . LYS A 1 4 ? -30.134 -2.736 8.129 1.00 0.00 ? 4 LYS A CE 25 ATOM 34094 N NZ . LYS A 1 4 ? -30.555 -2.585 9.550 1.00 0.00 ? 4 LYS A NZ 25 ATOM 34095 H H . LYS A 1 4 ? -28.109 -1.992 4.437 1.00 0.00 ? 4 LYS A H 25 ATOM 34096 H HA . LYS A 1 4 ? -25.772 -1.088 5.984 1.00 0.00 ? 4 LYS A HA 25 ATOM 34097 H HB2 . LYS A 1 4 ? -26.161 -3.296 7.297 1.00 0.00 ? 4 LYS A HB2 25 ATOM 34098 H HB3 . LYS A 1 4 ? -27.129 -1.882 7.690 1.00 0.00 ? 4 LYS A HB3 25 ATOM 34099 H HG2 . LYS A 1 4 ? -28.830 -2.873 6.016 1.00 0.00 ? 4 LYS A HG2 25 ATOM 34100 H HG3 . LYS A 1 4 ? -27.928 -4.372 6.249 1.00 0.00 ? 4 LYS A HG3 25 ATOM 34101 H HD2 . LYS A 1 4 ? -29.302 -4.692 7.993 1.00 0.00 ? 4 LYS A HD2 25 ATOM 34102 H HD3 . LYS A 1 4 ? -28.274 -3.519 8.819 1.00 0.00 ? 4 LYS A HD3 25 ATOM 34103 H HE2 . LYS A 1 4 ? -29.860 -1.766 7.740 1.00 0.00 ? 4 LYS A HE2 25 ATOM 34104 H HE3 . LYS A 1 4 ? -30.960 -3.132 7.558 1.00 0.00 ? 4 LYS A HE3 25 ATOM 34105 H HZ1 . LYS A 1 4 ? -29.729 -2.379 10.148 1.00 0.00 ? 4 LYS A HZ1 25 ATOM 34106 H HZ2 . LYS A 1 4 ? -31.238 -1.806 9.639 1.00 0.00 ? 4 LYS A HZ2 25 ATOM 34107 H HZ3 . LYS A 1 4 ? -31.002 -3.462 9.885 1.00 0.00 ? 4 LYS A HZ3 25 ATOM 34108 N N . HIS A 1 5 ? -25.668 -2.779 3.529 1.00 0.00 ? 5 HIS A N 25 ATOM 34109 C CA . HIS A 1 5 ? -24.913 -3.641 2.630 1.00 0.00 ? 5 HIS A CA 25 ATOM 34110 C C . HIS A 1 5 ? -23.631 -2.947 2.183 1.00 0.00 ? 5 HIS A C 25 ATOM 34111 O O . HIS A 1 5 ? -22.569 -3.568 2.101 1.00 0.00 ? 5 HIS A O 25 ATOM 34112 C CB . HIS A 1 5 ? -25.759 -4.014 1.412 1.00 0.00 ? 5 HIS A CB 25 ATOM 34113 C CG . HIS A 1 5 ? -27.191 -4.297 1.743 1.00 0.00 ? 5 HIS A CG 25 ATOM 34114 N ND1 . HIS A 1 5 ? -27.591 -4.872 2.932 1.00 0.00 ? 5 HIS A ND1 25 ATOM 34115 C CD2 . HIS A 1 5 ? -28.324 -4.080 1.033 1.00 0.00 ? 5 HIS A CD2 25 ATOM 34116 C CE1 . HIS A 1 5 ? -28.906 -4.999 2.939 1.00 0.00 ? 5 HIS A CE1 25 ATOM 34117 N NE2 . HIS A 1 5 ? -29.374 -4.525 1.800 1.00 0.00 ? 5 HIS A NE2 25 ATOM 34118 H H . HIS A 1 5 ? -26.268 -2.103 3.149 1.00 0.00 ? 5 HIS A H 25 ATOM 34119 H HA . HIS A 1 5 ? -24.653 -4.541 3.170 1.00 0.00 ? 5 HIS A HA 25 ATOM 34120 H HB2 . HIS A 1 5 ? -25.737 -3.199 0.705 1.00 0.00 ? 5 HIS A HB2 25 ATOM 34121 H HB3 . HIS A 1 5 ? -25.342 -4.897 0.950 1.00 0.00 ? 5 HIS A HB3 25 ATOM 34122 H HD1 . HIS A 1 5 ? -26.997 -5.148 3.662 1.00 0.00 ? 5 HIS A HD1 25 ATOM 34123 H HD2 . HIS A 1 5 ? -28.390 -3.639 0.049 1.00 0.00 ? 5 HIS A HD2 25 ATOM 34124 H HE1 . HIS A 1 5 ? -29.497 -5.417 3.740 1.00 0.00 ? 5 HIS A HE1 25 ATOM 34125 H HE2 . HIS A 1 5 ? -30.320 -4.497 1.543 1.00 0.00 ? 5 HIS A HE2 25 ATOM 34126 N N . HIS A 1 6 ? -23.739 -1.653 1.903 1.00 0.00 ? 6 HIS A N 25 ATOM 34127 C CA . HIS A 1 6 ? -22.591 -0.870 1.471 1.00 0.00 ? 6 HIS A CA 25 ATOM 34128 C C . HIS A 1 6 ? -21.534 -0.824 2.564 1.00 0.00 ? 6 HIS A C 25 ATOM 34129 O O . HIS A 1 6 ? -20.347 -0.957 2.288 1.00 0.00 ? 6 HIS A O 25 ATOM 34130 C CB . HIS A 1 6 ? -23.019 0.548 1.092 1.00 0.00 ? 6 HIS A CB 25 ATOM 34131 C CG . HIS A 1 6 ? -23.699 0.633 -0.240 1.00 0.00 ? 6 HIS A CG 25 ATOM 34132 N ND1 . HIS A 1 6 ? -23.924 -0.467 -1.041 1.00 0.00 ? 6 HIS A ND1 25 ATOM 34133 C CD2 . HIS A 1 6 ? -24.205 1.695 -0.910 1.00 0.00 ? 6 HIS A CD2 25 ATOM 34134 C CE1 . HIS A 1 6 ? -24.538 -0.084 -2.147 1.00 0.00 ? 6 HIS A CE1 25 ATOM 34135 N NE2 . HIS A 1 6 ? -24.720 1.221 -2.091 1.00 0.00 ? 6 HIS A NE2 25 ATOM 34136 H H . HIS A 1 6 ? -24.611 -1.215 1.992 1.00 0.00 ? 6 HIS A H 25 ATOM 34137 H HA . HIS A 1 6 ? -22.168 -1.357 0.605 1.00 0.00 ? 6 HIS A HA 25 ATOM 34138 H HB2 . HIS A 1 6 ? -23.705 0.921 1.838 1.00 0.00 ? 6 HIS A HB2 25 ATOM 34139 H HB3 . HIS A 1 6 ? -22.147 1.185 1.062 1.00 0.00 ? 6 HIS A HB3 25 ATOM 34140 H HD1 . HIS A 1 6 ? -23.672 -1.390 -0.831 1.00 0.00 ? 6 HIS A HD1 25 ATOM 34141 H HD2 . HIS A 1 6 ? -24.204 2.724 -0.578 1.00 0.00 ? 6 HIS A HD2 25 ATOM 34142 H HE1 . HIS A 1 6 ? -24.841 -0.731 -2.958 1.00 0.00 ? 6 HIS A HE1 25 ATOM 34143 H HE2 . HIS A 1 6 ? -25.154 1.763 -2.783 1.00 0.00 ? 6 HIS A HE2 25 ATOM 34144 N N . GLU A 1 7 ? -21.974 -0.645 3.806 1.00 0.00 ? 7 GLU A N 25 ATOM 34145 C CA . GLU A 1 7 ? -21.059 -0.599 4.939 1.00 0.00 ? 7 GLU A CA 25 ATOM 34146 C C . GLU A 1 7 ? -20.309 -1.920 5.069 1.00 0.00 ? 7 GLU A C 25 ATOM 34147 O O . GLU A 1 7 ? -19.209 -1.969 5.620 1.00 0.00 ? 7 GLU A O 25 ATOM 34148 C CB . GLU A 1 7 ? -21.824 -0.301 6.230 1.00 0.00 ? 7 GLU A CB 25 ATOM 34149 C CG . GLU A 1 7 ? -23.129 -1.071 6.355 1.00 0.00 ? 7 GLU A CG 25 ATOM 34150 C CD . GLU A 1 7 ? -23.517 -1.330 7.797 1.00 0.00 ? 7 GLU A CD 25 ATOM 34151 O OE1 . GLU A 1 7 ? -23.097 -2.370 8.347 1.00 0.00 ? 7 GLU A OE1 25 ATOM 34152 O OE2 . GLU A 1 7 ? -24.241 -0.493 8.376 1.00 0.00 ? 7 GLU A OE2 25 ATOM 34153 H H . GLU A 1 7 ? -22.933 -0.550 3.965 1.00 0.00 ? 7 GLU A H 25 ATOM 34154 H HA . GLU A 1 7 ? -20.347 0.193 4.759 1.00 0.00 ? 7 GLU A HA 25 ATOM 34155 H HB2 . GLU A 1 7 ? -21.199 -0.557 7.072 1.00 0.00 ? 7 GLU A HB2 25 ATOM 34156 H HB3 . GLU A 1 7 ? -22.049 0.754 6.266 1.00 0.00 ? 7 GLU A HB3 25 ATOM 34157 H HG2 . GLU A 1 7 ? -23.916 -0.500 5.884 1.00 0.00 ? 7 GLU A HG2 25 ATOM 34158 H HG3 . GLU A 1 7 ? -23.022 -2.020 5.850 1.00 0.00 ? 7 GLU A HG3 25 ATOM 34159 N N . ASN A 1 8 ? -20.908 -2.991 4.551 1.00 0.00 ? 8 ASN A N 25 ATOM 34160 C CA . ASN A 1 8 ? -20.293 -4.313 4.601 1.00 0.00 ? 8 ASN A CA 25 ATOM 34161 C C . ASN A 1 8 ? -19.091 -4.373 3.666 1.00 0.00 ? 8 ASN A C 25 ATOM 34162 O O . ASN A 1 8 ? -17.959 -4.581 4.106 1.00 0.00 ? 8 ASN A O 25 ATOM 34163 C CB . ASN A 1 8 ? -21.310 -5.389 4.218 1.00 0.00 ? 8 ASN A CB 25 ATOM 34164 C CG . ASN A 1 8 ? -21.696 -6.263 5.395 1.00 0.00 ? 8 ASN A CG 25 ATOM 34165 O OD1 . ASN A 1 8 ? -20.837 -6.808 6.088 1.00 0.00 ? 8 ASN A OD1 25 ATOM 34166 N ND2 . ASN A 1 8 ? -22.997 -6.403 5.627 1.00 0.00 ? 8 ASN A ND2 25 ATOM 34167 H H . ASN A 1 8 ? -21.782 -2.890 4.120 1.00 0.00 ? 8 ASN A H 25 ATOM 34168 H HA . ASN A 1 8 ? -19.958 -4.486 5.612 1.00 0.00 ? 8 ASN A HA 25 ATOM 34169 H HB2 . ASN A 1 8 ? -22.202 -4.915 3.838 1.00 0.00 ? 8 ASN A HB2 25 ATOM 34170 H HB3 . ASN A 1 8 ? -20.886 -6.019 3.449 1.00 0.00 ? 8 ASN A HB3 25 ATOM 34171 H HD21 . ASN A 1 8 ? -23.624 -5.940 5.034 1.00 0.00 ? 8 ASN A HD21 25 ATOM 34172 H HD22 . ASN A 1 8 ? -23.274 -6.962 6.382 1.00 0.00 ? 8 ASN A HD22 25 ATOM 34173 N N . GLU A 1 9 ? -19.338 -4.168 2.375 1.00 0.00 ? 9 GLU A N 25 ATOM 34174 C CA . GLU A 1 9 ? -18.265 -4.179 1.387 1.00 0.00 ? 9 GLU A CA 25 ATOM 34175 C C . GLU A 1 9 ? -17.357 -2.958 1.559 1.00 0.00 ? 9 GLU A C 25 ATOM 34176 O O . GLU A 1 9 ? -16.281 -2.882 0.965 1.00 0.00 ? 9 GLU A O 25 ATOM 34177 C CB . GLU A 1 9 ? -18.844 -4.203 -0.028 1.00 0.00 ? 9 GLU A CB 25 ATOM 34178 C CG . GLU A 1 9 ? -19.364 -5.568 -0.449 1.00 0.00 ? 9 GLU A CG 25 ATOM 34179 C CD . GLU A 1 9 ? -20.522 -6.040 0.408 1.00 0.00 ? 9 GLU A CD 25 ATOM 34180 O OE1 . GLU A 1 9 ? -21.546 -5.328 0.468 1.00 0.00 ? 9 GLU A OE1 25 ATOM 34181 O OE2 . GLU A 1 9 ? -20.405 -7.123 1.019 1.00 0.00 ? 9 GLU A OE2 25 ATOM 34182 H H . GLU A 1 9 ? -20.261 -3.987 2.082 1.00 0.00 ? 9 GLU A H 25 ATOM 34183 H HA . GLU A 1 9 ? -17.679 -5.074 1.544 1.00 0.00 ? 9 GLU A HA 25 ATOM 34184 H HB2 . GLU A 1 9 ? -19.661 -3.499 -0.082 1.00 0.00 ? 9 GLU A HB2 25 ATOM 34185 H HB3 . GLU A 1 9 ? -18.075 -3.904 -0.725 1.00 0.00 ? 9 GLU A HB3 25 ATOM 34186 H HG2 . GLU A 1 9 ? -19.696 -5.512 -1.475 1.00 0.00 ? 9 GLU A HG2 25 ATOM 34187 H HG3 . GLU A 1 9 ? -18.559 -6.286 -0.371 1.00 0.00 ? 9 GLU A HG3 25 ATOM 34188 N N . ILE A 1 10 ? -17.798 -2.009 2.385 1.00 0.00 ? 10 ILE A N 25 ATOM 34189 C CA . ILE A 1 10 ? -17.041 -0.796 2.649 1.00 0.00 ? 10 ILE A CA 25 ATOM 34190 C C . ILE A 1 10 ? -16.113 -1.009 3.845 1.00 0.00 ? 10 ILE A C 25 ATOM 34191 O O . ILE A 1 10 ? -15.066 -0.375 3.951 1.00 0.00 ? 10 ILE A O 25 ATOM 34192 C CB . ILE A 1 10 ? -18.009 0.396 2.895 1.00 0.00 ? 10 ILE A CB 25 ATOM 34193 C CG1 . ILE A 1 10 ? -18.569 0.895 1.562 1.00 0.00 ? 10 ILE A CG1 25 ATOM 34194 C CG2 . ILE A 1 10 ? -17.343 1.546 3.643 1.00 0.00 ? 10 ILE A CG2 25 ATOM 34195 C CD1 . ILE A 1 10 ? -19.731 1.852 1.715 1.00 0.00 ? 10 ILE A CD1 25 ATOM 34196 H H . ILE A 1 10 ? -18.653 -2.130 2.836 1.00 0.00 ? 10 ILE A H 25 ATOM 34197 H HA . ILE A 1 10 ? -16.442 -0.580 1.776 1.00 0.00 ? 10 ILE A HA 25 ATOM 34198 H HB . ILE A 1 10 ? -18.827 0.040 3.500 1.00 0.00 ? 10 ILE A HB 25 ATOM 34199 H HG12 . ILE A 1 10 ? -17.788 1.409 1.021 1.00 0.00 ? 10 ILE A HG12 25 ATOM 34200 H HG13 . ILE A 1 10 ? -18.908 0.050 0.982 1.00 0.00 ? 10 ILE A HG13 25 ATOM 34201 H HG21 . ILE A 1 10 ? -16.272 1.415 3.629 1.00 0.00 ? 10 ILE A HG21 25 ATOM 34202 H HG22 . ILE A 1 10 ? -17.600 2.480 3.166 1.00 0.00 ? 10 ILE A HG22 25 ATOM 34203 H HG23 . ILE A 1 10 ? -17.694 1.556 4.665 1.00 0.00 ? 10 ILE A HG23 25 ATOM 34204 H HD11 . ILE A 1 10 ? -20.520 1.374 2.276 1.00 0.00 ? 10 ILE A HD11 25 ATOM 34205 H HD12 . ILE A 1 10 ? -19.403 2.738 2.239 1.00 0.00 ? 10 ILE A HD12 25 ATOM 34206 H HD13 . ILE A 1 10 ? -20.101 2.128 0.738 1.00 0.00 ? 10 ILE A HD13 25 ATOM 34207 N N . SER A 1 11 ? -16.499 -1.916 4.731 1.00 0.00 ? 11 SER A N 25 ATOM 34208 C CA . SER A 1 11 ? -15.690 -2.219 5.902 1.00 0.00 ? 11 SER A CA 25 ATOM 34209 C C . SER A 1 11 ? -14.574 -3.179 5.523 1.00 0.00 ? 11 SER A C 25 ATOM 34210 O O . SER A 1 11 ? -13.496 -3.166 6.120 1.00 0.00 ? 11 SER A O 25 ATOM 34211 C CB . SER A 1 11 ? -16.555 -2.822 7.011 1.00 0.00 ? 11 SER A CB 25 ATOM 34212 O OG . SER A 1 11 ? -16.899 -1.846 7.978 1.00 0.00 ? 11 SER A OG 25 ATOM 34213 H H . SER A 1 11 ? -17.338 -2.401 4.589 1.00 0.00 ? 11 SER A H 25 ATOM 34214 H HA . SER A 1 11 ? -15.253 -1.296 6.251 1.00 0.00 ? 11 SER A HA 25 ATOM 34215 H HB2 . SER A 1 11 ? -17.461 -3.220 6.582 1.00 0.00 ? 11 SER A HB2 25 ATOM 34216 H HB3 . SER A 1 11 ? -16.008 -3.617 7.498 1.00 0.00 ? 11 SER A HB3 25 ATOM 34217 H HG . SER A 1 11 ? -16.512 -2.083 8.825 1.00 0.00 ? 11 SER A HG 25 ATOM 34218 N N . HIS A 1 12 ? -14.836 -4.006 4.515 1.00 0.00 ? 12 HIS A N 25 ATOM 34219 C CA . HIS A 1 12 ? -13.854 -4.966 4.044 1.00 0.00 ? 12 HIS A CA 25 ATOM 34220 C C . HIS A 1 12 ? -12.833 -4.263 3.142 1.00 0.00 ? 12 HIS A C 25 ATOM 34221 O O . HIS A 1 12 ? -11.625 -4.413 3.331 1.00 0.00 ? 12 HIS A O 25 ATOM 34222 C CB . HIS A 1 12 ? -14.574 -6.138 3.343 1.00 0.00 ? 12 HIS A CB 25 ATOM 34223 C CG . HIS A 1 12 ? -13.936 -6.637 2.080 1.00 0.00 ? 12 HIS A CG 25 ATOM 34224 N ND1 . HIS A 1 12 ? -12.932 -7.583 2.057 1.00 0.00 ? 12 HIS A ND1 25 ATOM 34225 C CD2 . HIS A 1 12 ? -14.177 -6.314 0.791 1.00 0.00 ? 12 HIS A CD2 25 ATOM 34226 C CE1 . HIS A 1 12 ? -12.583 -7.819 0.805 1.00 0.00 ? 12 HIS A CE1 25 ATOM 34227 N NE2 . HIS A 1 12 ? -13.324 -7.062 0.018 1.00 0.00 ? 12 HIS A NE2 25 ATOM 34228 H H . HIS A 1 12 ? -15.711 -3.963 4.072 1.00 0.00 ? 12 HIS A H 25 ATOM 34229 H HA . HIS A 1 12 ? -13.333 -5.345 4.911 1.00 0.00 ? 12 HIS A HA 25 ATOM 34230 H HB2 . HIS A 1 12 ? -14.623 -6.971 4.027 1.00 0.00 ? 12 HIS A HB2 25 ATOM 34231 H HB3 . HIS A 1 12 ? -15.581 -5.828 3.101 1.00 0.00 ? 12 HIS A HB3 25 ATOM 34232 H HD1 . HIS A 1 12 ? -12.534 -8.015 2.842 1.00 0.00 ? 12 HIS A HD1 25 ATOM 34233 H HD2 . HIS A 1 12 ? -14.905 -5.597 0.440 1.00 0.00 ? 12 HIS A HD2 25 ATOM 34234 H HE1 . HIS A 1 12 ? -11.822 -8.514 0.481 1.00 0.00 ? 12 HIS A HE1 25 ATOM 34235 H HE2 . HIS A 1 12 ? -13.273 -7.041 -0.960 1.00 0.00 ? 12 HIS A HE2 25 ATOM 34236 N N . HIS A 1 13 ? -13.315 -3.475 2.179 1.00 0.00 ? 13 HIS A N 25 ATOM 34237 C CA . HIS A 1 13 ? -12.412 -2.750 1.295 1.00 0.00 ? 13 HIS A CA 25 ATOM 34238 C C . HIS A 1 13 ? -11.677 -1.670 2.077 1.00 0.00 ? 13 HIS A C 25 ATOM 34239 O O . HIS A 1 13 ? -10.566 -1.283 1.721 1.00 0.00 ? 13 HIS A O 25 ATOM 34240 C CB . HIS A 1 13 ? -13.158 -2.103 0.126 1.00 0.00 ? 13 HIS A CB 25 ATOM 34241 C CG . HIS A 1 13 ? -13.908 -3.057 -0.741 1.00 0.00 ? 13 HIS A CG 25 ATOM 34242 N ND1 . HIS A 1 13 ? -13.479 -4.338 -1.016 1.00 0.00 ? 13 HIS A ND1 25 ATOM 34243 C CD2 . HIS A 1 13 ? -15.065 -2.895 -1.418 1.00 0.00 ? 13 HIS A CD2 25 ATOM 34244 C CE1 . HIS A 1 13 ? -14.343 -4.924 -1.827 1.00 0.00 ? 13 HIS A CE1 25 ATOM 34245 N NE2 . HIS A 1 13 ? -15.315 -4.068 -2.085 1.00 0.00 ? 13 HIS A NE2 25 ATOM 34246 H H . HIS A 1 13 ? -14.287 -3.368 2.076 1.00 0.00 ? 13 HIS A H 25 ATOM 34247 H HA . HIS A 1 13 ? -11.690 -3.454 0.907 1.00 0.00 ? 13 HIS A HA 25 ATOM 34248 H HB2 . HIS A 1 13 ? -13.864 -1.388 0.513 1.00 0.00 ? 13 HIS A HB2 25 ATOM 34249 H HB3 . HIS A 1 13 ? -12.441 -1.590 -0.498 1.00 0.00 ? 13 HIS A HB3 25 ATOM 34250 H HD1 . HIS A 1 13 ? -12.663 -4.756 -0.668 1.00 0.00 ? 13 HIS A HD1 25 ATOM 34251 H HD2 . HIS A 1 13 ? -15.672 -2.001 -1.434 1.00 0.00 ? 13 HIS A HD2 25 ATOM 34252 H HE1 . HIS A 1 13 ? -14.267 -5.930 -2.213 1.00 0.00 ? 13 HIS A HE1 25 ATOM 34253 H HE2 . HIS A 1 13 ? -16.089 -4.246 -2.659 1.00 0.00 ? 13 HIS A HE2 25 ATOM 34254 N N . ALA A 1 14 ? -12.306 -1.188 3.148 1.00 0.00 ? 14 ALA A N 25 ATOM 34255 C CA . ALA A 1 14 ? -11.705 -0.154 3.982 1.00 0.00 ? 14 ALA A CA 25 ATOM 34256 C C . ALA A 1 14 ? -10.492 -0.705 4.714 1.00 0.00 ? 14 ALA A C 25 ATOM 34257 O O . ALA A 1 14 ? -9.435 -0.075 4.745 1.00 0.00 ? 14 ALA A O 25 ATOM 34258 C CB . ALA A 1 14 ? -12.722 0.389 4.974 1.00 0.00 ? 14 ALA A CB 25 ATOM 34259 H H . ALA A 1 14 ? -13.192 -1.537 3.383 1.00 0.00 ? 14 ALA A H 25 ATOM 34260 H HA . ALA A 1 14 ? -11.391 0.654 3.338 1.00 0.00 ? 14 ALA A HA 25 ATOM 34261 H HB1 . ALA A 1 14 ? -12.205 0.827 5.816 1.00 0.00 ? 14 ALA A HB1 25 ATOM 34262 H HB2 . ALA A 1 14 ? -13.328 1.142 4.492 1.00 0.00 ? 14 ALA A HB2 25 ATOM 34263 H HB3 . ALA A 1 14 ? -13.354 -0.416 5.319 1.00 0.00 ? 14 ALA A HB3 25 ATOM 34264 N N . LYS A 1 15 ? -10.647 -1.890 5.292 1.00 0.00 ? 15 LYS A N 25 ATOM 34265 C CA . LYS A 1 15 ? -9.557 -2.532 6.011 1.00 0.00 ? 15 LYS A CA 25 ATOM 34266 C C . LYS A 1 15 ? -8.484 -3.015 5.039 1.00 0.00 ? 15 LYS A C 25 ATOM 34267 O O . LYS A 1 15 ? -7.341 -3.245 5.432 1.00 0.00 ? 15 LYS A O 25 ATOM 34268 C CB . LYS A 1 15 ? -10.082 -3.707 6.838 1.00 0.00 ? 15 LYS A CB 25 ATOM 34269 C CG . LYS A 1 15 ? -9.039 -4.310 7.766 1.00 0.00 ? 15 LYS A CG 25 ATOM 34270 C CD . LYS A 1 15 ? -9.594 -4.524 9.164 1.00 0.00 ? 15 LYS A CD 25 ATOM 34271 C CE . LYS A 1 15 ? -8.528 -5.046 10.113 1.00 0.00 ? 15 LYS A CE 25 ATOM 34272 N NZ . LYS A 1 15 ? -7.216 -4.375 9.897 1.00 0.00 ? 15 LYS A NZ 25 ATOM 34273 H H . LYS A 1 15 ? -11.513 -2.348 5.225 1.00 0.00 ? 15 LYS A H 25 ATOM 34274 H HA . LYS A 1 15 ? -9.122 -1.800 6.675 1.00 0.00 ? 15 LYS A HA 25 ATOM 34275 H HB2 . LYS A 1 15 ? -10.913 -3.367 7.439 1.00 0.00 ? 15 LYS A HB2 25 ATOM 34276 H HB3 . LYS A 1 15 ? -10.426 -4.479 6.167 1.00 0.00 ? 15 LYS A HB3 25 ATOM 34277 H HG2 . LYS A 1 15 ? -8.724 -5.263 7.365 1.00 0.00 ? 15 LYS A HG2 25 ATOM 34278 H HG3 . LYS A 1 15 ? -8.193 -3.643 7.821 1.00 0.00 ? 15 LYS A HG3 25 ATOM 34279 H HD2 . LYS A 1 15 ? -9.967 -3.583 9.541 1.00 0.00 ? 15 LYS A HD2 25 ATOM 34280 H HD3 . LYS A 1 15 ? -10.401 -5.240 9.115 1.00 0.00 ? 15 LYS A HD3 25 ATOM 34281 H HE2 . LYS A 1 15 ? -8.848 -4.870 11.128 1.00 0.00 ? 15 LYS A HE2 25 ATOM 34282 H HE3 . LYS A 1 15 ? -8.410 -6.108 9.952 1.00 0.00 ? 15 LYS A HE3 25 ATOM 34283 H HZ1 . LYS A 1 15 ? -7.362 -3.377 9.643 1.00 0.00 ? 15 LYS A HZ1 25 ATOM 34284 H HZ2 . LYS A 1 15 ? -6.644 -4.421 10.765 1.00 0.00 ? 15 LYS A HZ2 25 ATOM 34285 H HZ3 . LYS A 1 15 ? -6.696 -4.844 9.129 1.00 0.00 ? 15 LYS A HZ3 25 ATOM 34286 N N . GLU A 1 16 ? -8.859 -3.173 3.770 1.00 0.00 ? 16 GLU A N 25 ATOM 34287 C CA . GLU A 1 16 ? -7.925 -3.632 2.750 1.00 0.00 ? 16 GLU A CA 25 ATOM 34288 C C . GLU A 1 16 ? -7.032 -2.496 2.258 1.00 0.00 ? 16 GLU A C 25 ATOM 34289 O O . GLU A 1 16 ? -5.859 -2.711 1.956 1.00 0.00 ? 16 GLU A O 25 ATOM 34290 C CB . GLU A 1 16 ? -8.685 -4.247 1.574 1.00 0.00 ? 16 GLU A CB 25 ATOM 34291 C CG . GLU A 1 16 ? -8.472 -5.745 1.430 1.00 0.00 ? 16 GLU A CG 25 ATOM 34292 C CD . GLU A 1 16 ? -9.771 -6.498 1.220 1.00 0.00 ? 16 GLU A CD 25 ATOM 34293 O OE1 . GLU A 1 16 ? -10.821 -6.013 1.689 1.00 0.00 ? 16 GLU A OE1 25 ATOM 34294 O OE2 . GLU A 1 16 ? -9.737 -7.575 0.586 1.00 0.00 ? 16 GLU A OE2 25 ATOM 34295 H H . GLU A 1 16 ? -9.786 -2.981 3.515 1.00 0.00 ? 16 GLU A H 25 ATOM 34296 H HA . GLU A 1 16 ? -7.301 -4.392 3.196 1.00 0.00 ? 16 GLU A HA 25 ATOM 34297 H HB2 . GLU A 1 16 ? -9.740 -4.066 1.708 1.00 0.00 ? 16 GLU A HB2 25 ATOM 34298 H HB3 . GLU A 1 16 ? -8.359 -3.770 0.661 1.00 0.00 ? 16 GLU A HB3 25 ATOM 34299 H HG2 . GLU A 1 16 ? -7.828 -5.925 0.582 1.00 0.00 ? 16 GLU A HG2 25 ATOM 34300 H HG3 . GLU A 1 16 ? -7.999 -6.116 2.327 1.00 0.00 ? 16 GLU A HG3 25 ATOM 34301 N N . ILE A 1 17 ? -7.585 -1.288 2.176 1.00 0.00 ? 17 ILE A N 25 ATOM 34302 C CA . ILE A 1 17 ? -6.817 -0.135 1.720 1.00 0.00 ? 17 ILE A CA 25 ATOM 34303 C C . ILE A 1 17 ? -5.942 0.405 2.845 1.00 0.00 ? 17 ILE A C 25 ATOM 34304 O O . ILE A 1 17 ? -4.834 0.888 2.607 1.00 0.00 ? 17 ILE A O 25 ATOM 34305 C CB . ILE A 1 17 ? -7.744 0.982 1.193 1.00 0.00 ? 17 ILE A CB 25 ATOM 34306 C CG1 . ILE A 1 17 ? -6.928 2.224 0.787 1.00 0.00 ? 17 ILE A CG1 25 ATOM 34307 C CG2 . ILE A 1 17 ? -8.812 1.324 2.225 1.00 0.00 ? 17 ILE A CG2 25 ATOM 34308 C CD1 . ILE A 1 17 ? -6.644 3.203 1.914 1.00 0.00 ? 17 ILE A CD1 25 ATOM 34309 H H . ILE A 1 17 ? -8.528 -1.168 2.429 1.00 0.00 ? 17 ILE A H 25 ATOM 34310 H HA . ILE A 1 17 ? -6.175 -0.457 0.908 1.00 0.00 ? 17 ILE A HA 25 ATOM 34311 H HB . ILE A 1 17 ? -8.250 0.601 0.317 1.00 0.00 ? 17 ILE A HB 25 ATOM 34312 H HG12 . ILE A 1 17 ? -5.979 1.900 0.392 1.00 0.00 ? 17 ILE A HG12 25 ATOM 34313 H HG13 . ILE A 1 17 ? -7.465 2.757 0.016 1.00 0.00 ? 17 ILE A HG13 25 ATOM 34314 H HG21 . ILE A 1 17 ? -8.413 1.179 3.218 1.00 0.00 ? 17 ILE A HG21 25 ATOM 34315 H HG22 . ILE A 1 17 ? -9.113 2.354 2.104 1.00 0.00 ? 17 ILE A HG22 25 ATOM 34316 H HG23 . ILE A 1 17 ? -9.668 0.681 2.083 1.00 0.00 ? 17 ILE A HG23 25 ATOM 34317 H HD11 . ILE A 1 17 ? -7.541 3.362 2.493 1.00 0.00 ? 17 ILE A HD11 25 ATOM 34318 H HD12 . ILE A 1 17 ? -5.870 2.807 2.552 1.00 0.00 ? 17 ILE A HD12 25 ATOM 34319 H HD13 . ILE A 1 17 ? -6.317 4.143 1.496 1.00 0.00 ? 17 ILE A HD13 25 ATOM 34320 N N . GLU A 1 18 ? -6.440 0.308 4.072 1.00 0.00 ? 18 GLU A N 25 ATOM 34321 C CA . GLU A 1 18 ? -5.700 0.776 5.235 1.00 0.00 ? 18 GLU A CA 25 ATOM 34322 C C . GLU A 1 18 ? -4.657 -0.254 5.654 1.00 0.00 ? 18 GLU A C 25 ATOM 34323 O O . GLU A 1 18 ? -3.599 0.096 6.178 1.00 0.00 ? 18 GLU A O 25 ATOM 34324 C CB . GLU A 1 18 ? -6.655 1.058 6.396 1.00 0.00 ? 18 GLU A CB 25 ATOM 34325 C CG . GLU A 1 18 ? -6.900 2.539 6.636 1.00 0.00 ? 18 GLU A CG 25 ATOM 34326 C CD . GLU A 1 18 ? -5.988 3.115 7.703 1.00 0.00 ? 18 GLU A CD 25 ATOM 34327 O OE1 . GLU A 1 18 ? -5.637 2.376 8.646 1.00 0.00 ? 18 GLU A OE1 25 ATOM 34328 O OE2 . GLU A 1 18 ? -5.628 4.306 7.596 1.00 0.00 ? 18 GLU A OE2 25 ATOM 34329 H H . GLU A 1 18 ? -7.323 -0.096 4.198 1.00 0.00 ? 18 GLU A H 25 ATOM 34330 H HA . GLU A 1 18 ? -5.197 1.691 4.961 1.00 0.00 ? 18 GLU A HA 25 ATOM 34331 H HB2 . GLU A 1 18 ? -7.604 0.587 6.190 1.00 0.00 ? 18 GLU A HB2 25 ATOM 34332 H HB3 . GLU A 1 18 ? -6.241 0.633 7.298 1.00 0.00 ? 18 GLU A HB3 25 ATOM 34333 H HG2 . GLU A 1 18 ? -6.729 3.073 5.714 1.00 0.00 ? 18 GLU A HG2 25 ATOM 34334 H HG3 . GLU A 1 18 ? -7.925 2.675 6.946 1.00 0.00 ? 18 GLU A HG3 25 ATOM 34335 N N . ARG A 1 19 ? -4.961 -1.526 5.414 1.00 0.00 ? 19 ARG A N 25 ATOM 34336 C CA . ARG A 1 19 ? -4.048 -2.607 5.762 1.00 0.00 ? 19 ARG A CA 25 ATOM 34337 C C . ARG A 1 19 ? -2.909 -2.691 4.757 1.00 0.00 ? 19 ARG A C 25 ATOM 34338 O O . ARG A 1 19 ? -1.758 -2.929 5.126 1.00 0.00 ? 19 ARG A O 25 ATOM 34339 C CB . ARG A 1 19 ? -4.792 -3.940 5.825 1.00 0.00 ? 19 ARG A CB 25 ATOM 34340 C CG . ARG A 1 19 ? -3.880 -5.138 6.034 1.00 0.00 ? 19 ARG A CG 25 ATOM 34341 C CD . ARG A 1 19 ? -3.797 -6.001 4.787 1.00 0.00 ? 19 ARG A CD 25 ATOM 34342 N NE . ARG A 1 19 ? -3.733 -7.424 5.109 1.00 0.00 ? 19 ARG A NE 25 ATOM 34343 C CZ . ARG A 1 19 ? -4.711 -8.084 5.722 1.00 0.00 ? 19 ARG A CZ 25 ATOM 34344 N NH1 . ARG A 1 19 ? -5.821 -7.451 6.075 1.00 0.00 ? 19 ARG A NH1 25 ATOM 34345 N NH2 . ARG A 1 19 ? -4.580 -9.378 5.981 1.00 0.00 ? 19 ARG A NH2 25 ATOM 34346 H H . ARG A 1 19 ? -5.818 -1.743 4.989 1.00 0.00 ? 19 ARG A H 25 ATOM 34347 H HA . ARG A 1 19 ? -3.633 -2.387 6.736 1.00 0.00 ? 19 ARG A HA 25 ATOM 34348 H HB2 . ARG A 1 19 ? -5.500 -3.908 6.639 1.00 0.00 ? 19 ARG A HB2 25 ATOM 34349 H HB3 . ARG A 1 19 ? -5.330 -4.083 4.898 1.00 0.00 ? 19 ARG A HB3 25 ATOM 34350 H HG2 . ARG A 1 19 ? -2.890 -4.784 6.282 1.00 0.00 ? 19 ARG A HG2 25 ATOM 34351 H HG3 . ARG A 1 19 ? -4.265 -5.734 6.849 1.00 0.00 ? 19 ARG A HG3 25 ATOM 34352 H HD2 . ARG A 1 19 ? -4.670 -5.818 4.179 1.00 0.00 ? 19 ARG A HD2 25 ATOM 34353 H HD3 . ARG A 1 19 ? -2.910 -5.727 4.234 1.00 0.00 ? 19 ARG A HD3 25 ATOM 34354 H HE . ARG A 1 19 ? -2.922 -7.912 4.856 1.00 0.00 ? 19 ARG A HE 25 ATOM 34355 H HH11 . ARG A 1 19 ? -5.923 -6.476 5.882 1.00 0.00 ? 19 ARG A HH11 25 ATOM 34356 H HH12 . ARG A 1 19 ? -6.555 -7.949 6.537 1.00 0.00 ? 19 ARG A HH12 25 ATOM 34357 H HH21 . ARG A 1 19 ? -3.743 -9.859 5.716 1.00 0.00 ? 19 ARG A HH21 25 ATOM 34358 H HH22 . ARG A 1 19 ? -5.316 -9.873 6.443 1.00 0.00 ? 19 ARG A HH22 25 ATOM 34359 N N . LEU A 1 20 ? -3.226 -2.483 3.484 1.00 0.00 ? 20 LEU A N 25 ATOM 34360 C CA . LEU A 1 20 ? -2.212 -2.526 2.447 1.00 0.00 ? 20 LEU A CA 25 ATOM 34361 C C . LEU A 1 20 ? -1.314 -1.305 2.558 1.00 0.00 ? 20 LEU A C 25 ATOM 34362 O O . LEU A 1 20 ? -0.117 -1.372 2.284 1.00 0.00 ? 20 LEU A O 25 ATOM 34363 C CB . LEU A 1 20 ? -2.857 -2.586 1.062 1.00 0.00 ? 20 LEU A CB 25 ATOM 34364 C CG . LEU A 1 20 ? -3.684 -3.845 0.787 1.00 0.00 ? 20 LEU A CG 25 ATOM 34365 C CD1 . LEU A 1 20 ? -4.714 -3.579 -0.301 1.00 0.00 ? 20 LEU A CD1 25 ATOM 34366 C CD2 . LEU A 1 20 ? -2.777 -5.001 0.392 1.00 0.00 ? 20 LEU A CD2 25 ATOM 34367 H H . LEU A 1 20 ? -4.157 -2.283 3.239 1.00 0.00 ? 20 LEU A H 25 ATOM 34368 H HA . LEU A 1 20 ? -1.615 -3.415 2.600 1.00 0.00 ? 20 LEU A HA 25 ATOM 34369 H HB2 . LEU A 1 20 ? -3.499 -1.725 0.948 1.00 0.00 ? 20 LEU A HB2 25 ATOM 34370 H HB3 . LEU A 1 20 ? -2.074 -2.531 0.322 1.00 0.00 ? 20 LEU A HB3 25 ATOM 34371 H HG . LEU A 1 20 ? -4.212 -4.123 1.686 1.00 0.00 ? 20 LEU A HG 25 ATOM 34372 H HD11 . LEU A 1 20 ? -4.896 -2.516 -0.372 1.00 0.00 ? 20 LEU A HD11 25 ATOM 34373 H HD12 . LEU A 1 20 ? -4.343 -3.944 -1.246 1.00 0.00 ? 20 LEU A HD12 25 ATOM 34374 H HD13 . LEU A 1 20 ? -5.635 -4.086 -0.056 1.00 0.00 ? 20 LEU A HD13 25 ATOM 34375 H HD21 . LEU A 1 20 ? -1.848 -4.932 0.938 1.00 0.00 ? 20 LEU A HD21 25 ATOM 34376 H HD22 . LEU A 1 20 ? -3.264 -5.936 0.627 1.00 0.00 ? 20 LEU A HD22 25 ATOM 34377 H HD23 . LEU A 1 20 ? -2.577 -4.956 -0.668 1.00 0.00 ? 20 LEU A HD23 25 ATOM 34378 N N . GLN A 1 21 ? -1.906 -0.186 2.969 1.00 0.00 ? 21 GLN A N 25 ATOM 34379 C CA . GLN A 1 21 ? -1.168 1.059 3.126 1.00 0.00 ? 21 GLN A CA 25 ATOM 34380 C C . GLN A 1 21 ? -0.102 0.928 4.208 1.00 0.00 ? 21 GLN A C 25 ATOM 34381 O O . GLN A 1 21 ? 1.041 1.339 4.017 1.00 0.00 ? 21 GLN A O 25 ATOM 34382 C CB . GLN A 1 21 ? -2.124 2.203 3.471 1.00 0.00 ? 21 GLN A CB 25 ATOM 34383 C CG . GLN A 1 21 ? -2.588 2.994 2.259 1.00 0.00 ? 21 GLN A CG 25 ATOM 34384 C CD . GLN A 1 21 ? -2.332 4.482 2.402 1.00 0.00 ? 21 GLN A CD 25 ATOM 34385 O OE1 . GLN A 1 21 ? -1.885 5.140 1.462 1.00 0.00 ? 21 GLN A OE1 25 ATOM 34386 N NE2 . GLN A 1 21 ? -2.614 5.020 3.582 1.00 0.00 ? 21 GLN A NE2 25 ATOM 34387 H H . GLN A 1 21 ? -2.865 -0.202 3.174 1.00 0.00 ? 21 GLN A H 25 ATOM 34388 H HA . GLN A 1 21 ? -0.683 1.279 2.186 1.00 0.00 ? 21 GLN A HA 25 ATOM 34389 H HB2 . GLN A 1 21 ? -2.995 1.793 3.961 1.00 0.00 ? 21 GLN A HB2 25 ATOM 34390 H HB3 . GLN A 1 21 ? -1.627 2.881 4.149 1.00 0.00 ? 21 GLN A HB3 25 ATOM 34391 H HG2 . GLN A 1 21 ? -2.060 2.636 1.388 1.00 0.00 ? 21 GLN A HG2 25 ATOM 34392 H HG3 . GLN A 1 21 ? -3.648 2.837 2.127 1.00 0.00 ? 21 GLN A HG3 25 ATOM 34393 H HE21 . GLN A 1 21 ? -2.967 4.435 4.285 1.00 0.00 ? 21 GLN A HE21 25 ATOM 34394 H HE22 . GLN A 1 21 ? -2.459 5.980 3.703 1.00 0.00 ? 21 GLN A HE22 25 ATOM 34395 N N . LYS A 1 22 ? -0.478 0.349 5.345 1.00 0.00 ? 22 LYS A N 25 ATOM 34396 C CA . LYS A 1 22 ? 0.462 0.167 6.445 1.00 0.00 ? 22 LYS A CA 25 ATOM 34397 C C . LYS A 1 22 ? 1.619 -0.729 6.015 1.00 0.00 ? 22 LYS A C 25 ATOM 34398 O O . LYS A 1 22 ? 2.778 -0.472 6.349 1.00 0.00 ? 22 LYS A O 25 ATOM 34399 C CB . LYS A 1 22 ? -0.243 -0.431 7.665 1.00 0.00 ? 22 LYS A CB 25 ATOM 34400 C CG . LYS A 1 22 ? -0.961 -1.737 7.376 1.00 0.00 ? 22 LYS A CG 25 ATOM 34401 C CD . LYS A 1 22 ? -1.356 -2.451 8.659 1.00 0.00 ? 22 LYS A CD 25 ATOM 34402 C CE . LYS A 1 22 ? -0.851 -3.885 8.677 1.00 0.00 ? 22 LYS A CE 25 ATOM 34403 N NZ . LYS A 1 22 ? -1.597 -4.726 9.653 1.00 0.00 ? 22 LYS A NZ 25 ATOM 34404 H H . LYS A 1 22 ? -1.404 0.035 5.446 1.00 0.00 ? 22 LYS A H 25 ATOM 34405 H HA . LYS A 1 22 ? 0.855 1.139 6.707 1.00 0.00 ? 22 LYS A HA 25 ATOM 34406 H HB2 . LYS A 1 22 ? 0.490 -0.611 8.437 1.00 0.00 ? 22 LYS A HB2 25 ATOM 34407 H HB3 . LYS A 1 22 ? -0.969 0.280 8.030 1.00 0.00 ? 22 LYS A HB3 25 ATOM 34408 H HG2 . LYS A 1 22 ? -1.853 -1.528 6.804 1.00 0.00 ? 22 LYS A HG2 25 ATOM 34409 H HG3 . LYS A 1 22 ? -0.306 -2.378 6.804 1.00 0.00 ? 22 LYS A HG3 25 ATOM 34410 H HD2 . LYS A 1 22 ? -0.934 -1.921 9.499 1.00 0.00 ? 22 LYS A HD2 25 ATOM 34411 H HD3 . LYS A 1 22 ? -2.434 -2.458 8.739 1.00 0.00 ? 22 LYS A HD3 25 ATOM 34412 H HE2 . LYS A 1 22 ? -0.966 -4.307 7.689 1.00 0.00 ? 22 LYS A HE2 25 ATOM 34413 H HE3 . LYS A 1 22 ? 0.197 -3.880 8.944 1.00 0.00 ? 22 LYS A HE3 25 ATOM 34414 H HZ1 . LYS A 1 22 ? -2.614 -4.703 9.439 1.00 0.00 ? 22 LYS A HZ1 25 ATOM 34415 H HZ2 . LYS A 1 22 ? -1.267 -5.710 9.603 1.00 0.00 ? 22 LYS A HZ2 25 ATOM 34416 H HZ3 . LYS A 1 22 ? -1.447 -4.370 10.619 1.00 0.00 ? 22 LYS A HZ3 25 ATOM 34417 N N . GLU A 1 23 ? 1.298 -1.779 5.265 1.00 0.00 ? 23 GLU A N 25 ATOM 34418 C CA . GLU A 1 23 ? 2.313 -2.709 4.783 1.00 0.00 ? 23 GLU A CA 25 ATOM 34419 C C . GLU A 1 23 ? 3.343 -1.988 3.919 1.00 0.00 ? 23 GLU A C 25 ATOM 34420 O O . GLU A 1 23 ? 4.547 -2.223 4.041 1.00 0.00 ? 23 GLU A O 25 ATOM 34421 C CB . GLU A 1 23 ? 1.661 -3.839 3.983 1.00 0.00 ? 23 GLU A CB 25 ATOM 34422 C CG . GLU A 1 23 ? 1.670 -5.177 4.704 1.00 0.00 ? 23 GLU A CG 25 ATOM 34423 C CD . GLU A 1 23 ? 2.288 -6.283 3.871 1.00 0.00 ? 23 GLU A CD 25 ATOM 34424 O OE1 . GLU A 1 23 ? 3.533 -6.351 3.805 1.00 0.00 ? 23 GLU A OE1 25 ATOM 34425 O OE2 . GLU A 1 23 ? 1.526 -7.082 3.286 1.00 0.00 ? 23 GLU A OE2 25 ATOM 34426 H H . GLU A 1 23 ? 0.357 -1.929 5.027 1.00 0.00 ? 23 GLU A H 25 ATOM 34427 H HA . GLU A 1 23 ? 2.812 -3.130 5.642 1.00 0.00 ? 23 GLU A HA 25 ATOM 34428 H HB2 . GLU A 1 23 ? 0.635 -3.573 3.777 1.00 0.00 ? 23 GLU A HB2 25 ATOM 34429 H HB3 . GLU A 1 23 ? 2.189 -3.954 3.049 1.00 0.00 ? 23 GLU A HB3 25 ATOM 34430 H HG2 . GLU A 1 23 ? 2.237 -5.076 5.618 1.00 0.00 ? 23 GLU A HG2 25 ATOM 34431 H HG3 . GLU A 1 23 ? 0.653 -5.451 4.942 1.00 0.00 ? 23 GLU A HG3 25 ATOM 34432 N N . ILE A 1 24 ? 2.866 -1.102 3.047 1.00 0.00 ? 24 ILE A N 25 ATOM 34433 C CA . ILE A 1 24 ? 3.757 -0.349 2.172 1.00 0.00 ? 24 ILE A CA 25 ATOM 34434 C C . ILE A 1 24 ? 4.673 0.549 3.004 1.00 0.00 ? 24 ILE A C 25 ATOM 34435 O O . ILE A 1 24 ? 5.816 0.808 2.632 1.00 0.00 ? 24 ILE A O 25 ATOM 34436 C CB . ILE A 1 24 ? 2.976 0.483 1.106 1.00 0.00 ? 24 ILE A CB 25 ATOM 34437 C CG1 . ILE A 1 24 ? 2.640 1.900 1.595 1.00 0.00 ? 24 ILE A CG1 25 ATOM 34438 C CG2 . ILE A 1 24 ? 1.700 -0.235 0.698 1.00 0.00 ? 24 ILE A CG2 25 ATOM 34439 C CD1 . ILE A 1 24 ? 3.613 2.943 1.095 1.00 0.00 ? 24 ILE A CD1 25 ATOM 34440 H H . ILE A 1 24 ? 1.900 -0.951 2.997 1.00 0.00 ? 24 ILE A H 25 ATOM 34441 H HA . ILE A 1 24 ? 4.373 -1.067 1.646 1.00 0.00 ? 24 ILE A HA 25 ATOM 34442 H HB . ILE A 1 24 ? 3.600 0.559 0.229 1.00 0.00 ? 24 ILE A HB 25 ATOM 34443 H HG12 . ILE A 1 24 ? 1.655 2.171 1.249 1.00 0.00 ? 24 ILE A HG12 25 ATOM 34444 H HG13 . ILE A 1 24 ? 2.657 1.917 2.674 1.00 0.00 ? 24 ILE A HG13 25 ATOM 34445 H HG21 . ILE A 1 24 ? 1.723 -1.248 1.067 1.00 0.00 ? 24 ILE A HG21 25 ATOM 34446 H HG22 . ILE A 1 24 ? 0.848 0.279 1.118 1.00 0.00 ? 24 ILE A HG22 25 ATOM 34447 H HG23 . ILE A 1 24 ? 1.621 -0.244 -0.376 1.00 0.00 ? 24 ILE A HG23 25 ATOM 34448 H HD11 . ILE A 1 24 ? 4.340 2.472 0.446 1.00 0.00 ? 24 ILE A HD11 25 ATOM 34449 H HD12 . ILE A 1 24 ? 3.078 3.702 0.544 1.00 0.00 ? 24 ILE A HD12 25 ATOM 34450 H HD13 . ILE A 1 24 ? 4.120 3.395 1.933 1.00 0.00 ? 24 ILE A HD13 25 ATOM 34451 N N . GLU A 1 25 ? 4.152 1.012 4.138 1.00 0.00 ? 25 GLU A N 25 ATOM 34452 C CA . GLU A 1 25 ? 4.912 1.869 5.035 1.00 0.00 ? 25 GLU A CA 25 ATOM 34453 C C . GLU A 1 25 ? 6.142 1.135 5.545 1.00 0.00 ? 25 GLU A C 25 ATOM 34454 O O . GLU A 1 25 ? 7.238 1.691 5.589 1.00 0.00 ? 25 GLU A O 25 ATOM 34455 C CB . GLU A 1 25 ? 4.041 2.318 6.211 1.00 0.00 ? 25 GLU A CB 25 ATOM 34456 C CG . GLU A 1 25 ? 4.681 3.400 7.065 1.00 0.00 ? 25 GLU A CG 25 ATOM 34457 C CD . GLU A 1 25 ? 4.383 3.228 8.541 1.00 0.00 ? 25 GLU A CD 25 ATOM 34458 O OE1 . GLU A 1 25 ? 3.192 3.277 8.916 1.00 0.00 ? 25 GLU A OE1 25 ATOM 34459 O OE2 . GLU A 1 25 ? 5.340 3.044 9.323 1.00 0.00 ? 25 GLU A OE2 25 ATOM 34460 H H . GLU A 1 25 ? 3.235 0.763 4.379 1.00 0.00 ? 25 GLU A H 25 ATOM 34461 H HA . GLU A 1 25 ? 5.229 2.739 4.478 1.00 0.00 ? 25 GLU A HA 25 ATOM 34462 H HB2 . GLU A 1 25 ? 3.107 2.698 5.827 1.00 0.00 ? 25 GLU A HB2 25 ATOM 34463 H HB3 . GLU A 1 25 ? 3.840 1.464 6.840 1.00 0.00 ? 25 GLU A HB3 25 ATOM 34464 H HG2 . GLU A 1 25 ? 5.751 3.367 6.923 1.00 0.00 ? 25 GLU A HG2 25 ATOM 34465 H HG3 . GLU A 1 25 ? 4.307 4.361 6.745 1.00 0.00 ? 25 GLU A HG3 25 ATOM 34466 N N . ARG A 1 26 ? 5.953 -0.128 5.920 1.00 0.00 ? 26 ARG A N 25 ATOM 34467 C CA . ARG A 1 26 ? 7.052 -0.946 6.413 1.00 0.00 ? 26 ARG A CA 25 ATOM 34468 C C . ARG A 1 26 ? 8.148 -1.046 5.358 1.00 0.00 ? 26 ARG A C 25 ATOM 34469 O O . ARG A 1 26 ? 9.320 -0.785 5.635 1.00 0.00 ? 26 ARG A O 25 ATOM 34470 C CB . ARG A 1 26 ? 6.553 -2.344 6.784 1.00 0.00 ? 26 ARG A CB 25 ATOM 34471 C CG . ARG A 1 26 ? 7.574 -3.170 7.550 1.00 0.00 ? 26 ARG A CG 25 ATOM 34472 C CD . ARG A 1 26 ? 7.872 -4.481 6.841 1.00 0.00 ? 26 ARG A CD 25 ATOM 34473 N NE . ARG A 1 26 ? 7.005 -5.562 7.302 1.00 0.00 ? 26 ARG A NE 25 ATOM 34474 C CZ . ARG A 1 26 ? 7.271 -6.851 7.113 1.00 0.00 ? 26 ARG A CZ 25 ATOM 34475 N NH1 . ARG A 1 26 ? 8.374 -7.216 6.475 1.00 0.00 ? 26 ARG A NH1 25 ATOM 34476 N NH2 . ARG A 1 26 ? 6.433 -7.774 7.563 1.00 0.00 ? 26 ARG A NH2 25 ATOM 34477 H H . ARG A 1 26 ? 5.055 -0.519 5.852 1.00 0.00 ? 26 ARG A H 25 ATOM 34478 H HA . ARG A 1 26 ? 7.456 -0.468 7.293 1.00 0.00 ? 26 ARG A HA 25 ATOM 34479 H HB2 . ARG A 1 26 ? 5.669 -2.246 7.397 1.00 0.00 ? 26 ARG A HB2 25 ATOM 34480 H HB3 . ARG A 1 26 ? 6.297 -2.875 5.880 1.00 0.00 ? 26 ARG A HB3 25 ATOM 34481 H HG2 . ARG A 1 26 ? 8.488 -2.603 7.637 1.00 0.00 ? 26 ARG A HG2 25 ATOM 34482 H HG3 . ARG A 1 26 ? 7.184 -3.383 8.534 1.00 0.00 ? 26 ARG A HG3 25 ATOM 34483 H HD2 . ARG A 1 26 ? 7.728 -4.343 5.780 1.00 0.00 ? 26 ARG A HD2 25 ATOM 34484 H HD3 . ARG A 1 26 ? 8.901 -4.752 7.031 1.00 0.00 ? 26 ARG A HD3 25 ATOM 34485 H HE . ARG A 1 26 ? 6.184 -5.314 7.776 1.00 0.00 ? 26 ARG A HE 25 ATOM 34486 H HH11 . ARG A 1 26 ? 9.009 -6.521 6.134 1.00 0.00 ? 26 ARG A HH11 25 ATOM 34487 H HH12 . ARG A 1 26 ? 8.573 -8.185 6.334 1.00 0.00 ? 26 ARG A HH12 25 ATOM 34488 H HH21 . ARG A 1 26 ? 5.600 -7.502 8.044 1.00 0.00 ? 26 ARG A HH21 25 ATOM 34489 H HH22 . ARG A 1 26 ? 6.634 -8.744 7.419 1.00 0.00 ? 26 ARG A HH22 25 ATOM 34490 N N . HIS A 1 27 ? 7.755 -1.407 4.139 1.00 0.00 ? 27 HIS A N 25 ATOM 34491 C CA . HIS A 1 27 ? 8.704 -1.521 3.041 1.00 0.00 ? 27 HIS A CA 25 ATOM 34492 C C . HIS A 1 27 ? 9.290 -0.154 2.697 1.00 0.00 ? 27 HIS A C 25 ATOM 34493 O O . HIS A 1 27 ? 10.345 -0.063 2.068 1.00 0.00 ? 27 HIS A O 25 ATOM 34494 C CB . HIS A 1 27 ? 8.027 -2.128 1.811 1.00 0.00 ? 27 HIS A CB 25 ATOM 34495 C CG . HIS A 1 27 ? 8.110 -3.621 1.762 1.00 0.00 ? 27 HIS A CG 25 ATOM 34496 N ND1 . HIS A 1 27 ? 9.285 -4.302 1.519 1.00 0.00 ? 27 HIS A ND1 25 ATOM 34497 C CD2 . HIS A 1 27 ? 7.157 -4.568 1.930 1.00 0.00 ? 27 HIS A CD2 25 ATOM 34498 C CE1 . HIS A 1 27 ? 9.051 -5.602 1.539 1.00 0.00 ? 27 HIS A CE1 25 ATOM 34499 N NE2 . HIS A 1 27 ? 7.769 -5.789 1.788 1.00 0.00 ? 27 HIS A NE2 25 ATOM 34500 H H . HIS A 1 27 ? 6.804 -1.589 3.971 1.00 0.00 ? 27 HIS A H 25 ATOM 34501 H HA . HIS A 1 27 ? 9.503 -2.173 3.360 1.00 0.00 ? 27 HIS A HA 25 ATOM 34502 H HB2 . HIS A 1 27 ? 6.983 -1.853 1.812 1.00 0.00 ? 27 HIS A HB2 25 ATOM 34503 H HB3 . HIS A 1 27 ? 8.497 -1.737 0.920 1.00 0.00 ? 27 HIS A HB3 25 ATOM 34504 H HD1 . HIS A 1 27 ? 10.160 -3.892 1.356 1.00 0.00 ? 27 HIS A HD1 25 ATOM 34505 H HD2 . HIS A 1 27 ? 6.110 -4.395 2.138 1.00 0.00 ? 27 HIS A HD2 25 ATOM 34506 H HE1 . HIS A 1 27 ? 9.785 -6.379 1.382 1.00 0.00 ? 27 HIS A HE1 25 ATOM 34507 H HE2 . HIS A 1 27 ? 7.326 -6.661 1.857 1.00 0.00 ? 27 HIS A HE2 25 ATOM 34508 N N . LYS A 1 28 ? 8.601 0.907 3.115 1.00 0.00 ? 28 LYS A N 25 ATOM 34509 C CA . LYS A 1 28 ? 9.049 2.269 2.858 1.00 0.00 ? 28 LYS A CA 25 ATOM 34510 C C . LYS A 1 28 ? 10.173 2.656 3.813 1.00 0.00 ? 28 LYS A C 25 ATOM 34511 O O . LYS A 1 28 ? 11.068 3.424 3.458 1.00 0.00 ? 28 LYS A O 25 ATOM 34512 C CB . LYS A 1 28 ? 7.878 3.242 3.008 1.00 0.00 ? 28 LYS A CB 25 ATOM 34513 C CG . LYS A 1 28 ? 8.230 4.687 2.681 1.00 0.00 ? 28 LYS A CG 25 ATOM 34514 C CD . LYS A 1 28 ? 7.858 5.645 3.809 1.00 0.00 ? 28 LYS A CD 25 ATOM 34515 C CE . LYS A 1 28 ? 6.471 5.366 4.373 1.00 0.00 ? 28 LYS A CE 25 ATOM 34516 N NZ . LYS A 1 28 ? 5.928 6.538 5.116 1.00 0.00 ? 28 LYS A NZ 25 ATOM 34517 H H . LYS A 1 28 ? 7.769 0.772 3.611 1.00 0.00 ? 28 LYS A H 25 ATOM 34518 H HA . LYS A 1 28 ? 9.418 2.314 1.845 1.00 0.00 ? 28 LYS A HA 25 ATOM 34519 H HB2 . LYS A 1 28 ? 7.081 2.931 2.349 1.00 0.00 ? 28 LYS A HB2 25 ATOM 34520 H HB3 . LYS A 1 28 ? 7.525 3.202 4.028 1.00 0.00 ? 28 LYS A HB3 25 ATOM 34521 H HG2 . LYS A 1 28 ? 9.293 4.754 2.507 1.00 0.00 ? 28 LYS A HG2 25 ATOM 34522 H HG3 . LYS A 1 28 ? 7.701 4.979 1.785 1.00 0.00 ? 28 LYS A HG3 25 ATOM 34523 H HD2 . LYS A 1 28 ? 8.581 5.545 4.604 1.00 0.00 ? 28 LYS A HD2 25 ATOM 34524 H HD3 . LYS A 1 28 ? 7.883 6.655 3.427 1.00 0.00 ? 28 LYS A HD3 25 ATOM 34525 H HE2 . LYS A 1 28 ? 5.804 5.129 3.557 1.00 0.00 ? 28 LYS A HE2 25 ATOM 34526 H HE3 . LYS A 1 28 ? 6.531 4.523 5.044 1.00 0.00 ? 28 LYS A HE3 25 ATOM 34527 H HZ1 . LYS A 1 28 ? 6.359 7.417 4.762 1.00 0.00 ? 28 LYS A HZ1 25 ATOM 34528 H HZ2 . LYS A 1 28 ? 4.897 6.594 4.990 1.00 0.00 ? 28 LYS A HZ2 25 ATOM 34529 H HZ3 . LYS A 1 28 ? 6.137 6.447 6.130 1.00 0.00 ? 28 LYS A HZ3 25 ATOM 34530 N N . GLN A 1 29 ? 10.120 2.116 5.026 1.00 0.00 ? 29 GLN A N 25 ATOM 34531 C CA . GLN A 1 29 ? 11.132 2.401 6.034 1.00 0.00 ? 29 GLN A CA 25 ATOM 34532 C C . GLN A 1 29 ? 12.440 1.699 5.693 1.00 0.00 ? 29 GLN A C 25 ATOM 34533 O O . GLN A 1 29 ? 13.522 2.261 5.866 1.00 0.00 ? 29 GLN A O 25 ATOM 34534 C CB . GLN A 1 29 ? 10.646 1.959 7.416 1.00 0.00 ? 29 GLN A CB 25 ATOM 34535 C CG . GLN A 1 29 ? 11.642 2.238 8.530 1.00 0.00 ? 29 GLN A CG 25 ATOM 34536 C CD . GLN A 1 29 ? 11.275 1.545 9.828 1.00 0.00 ? 29 GLN A CD 25 ATOM 34537 O OE1 . GLN A 1 29 ? 12.102 0.872 10.441 1.00 0.00 ? 29 GLN A OE1 25 ATOM 34538 N NE2 . GLN A 1 29 ? 10.028 1.708 10.252 1.00 0.00 ? 29 GLN A NE2 25 ATOM 34539 H H . GLN A 1 29 ? 9.383 1.511 5.248 1.00 0.00 ? 29 GLN A H 25 ATOM 34540 H HA . GLN A 1 29 ? 11.300 3.467 6.045 1.00 0.00 ? 29 GLN A HA 25 ATOM 34541 H HB2 . GLN A 1 29 ? 9.728 2.479 7.645 1.00 0.00 ? 29 GLN A HB2 25 ATOM 34542 H HB3 . GLN A 1 29 ? 10.451 0.897 7.394 1.00 0.00 ? 29 GLN A HB3 25 ATOM 34543 H HG2 . GLN A 1 29 ? 12.616 1.891 8.219 1.00 0.00 ? 29 GLN A HG2 25 ATOM 34544 H HG3 . GLN A 1 29 ? 11.679 3.303 8.705 1.00 0.00 ? 29 GLN A HG3 25 ATOM 34545 H HE21 . GLN A 1 29 ? 9.422 2.259 9.713 1.00 0.00 ? 29 GLN A HE21 25 ATOM 34546 H HE22 . GLN A 1 29 ? 9.762 1.272 11.089 1.00 0.00 ? 29 GLN A HE22 25 ATOM 34547 N N . SER A 1 30 ? 12.334 0.468 5.204 1.00 0.00 ? 30 SER A N 25 ATOM 34548 C CA . SER A 1 30 ? 13.512 -0.310 4.834 1.00 0.00 ? 30 SER A CA 25 ATOM 34549 C C . SER A 1 30 ? 14.183 0.277 3.596 1.00 0.00 ? 30 SER A C 25 ATOM 34550 O O . SER A 1 30 ? 15.410 0.329 3.507 1.00 0.00 ? 30 SER A O 25 ATOM 34551 C CB . SER A 1 30 ? 13.126 -1.768 4.578 1.00 0.00 ? 30 SER A CB 25 ATOM 34552 O OG . SER A 1 30 ? 13.373 -2.569 5.720 1.00 0.00 ? 30 SER A OG 25 ATOM 34553 H H . SER A 1 30 ? 11.441 0.074 5.087 1.00 0.00 ? 30 SER A H 25 ATOM 34554 H HA . SER A 1 30 ? 14.207 -0.269 5.659 1.00 0.00 ? 30 SER A HA 25 ATOM 34555 H HB2 . SER A 1 30 ? 12.074 -1.823 4.336 1.00 0.00 ? 30 SER A HB2 25 ATOM 34556 H HB3 . SER A 1 30 ? 13.706 -2.151 3.751 1.00 0.00 ? 30 SER A HB3 25 ATOM 34557 H HG . SER A 1 30 ? 13.543 -3.473 5.445 1.00 0.00 ? 30 SER A HG 25 ATOM 34558 N N . ILE A 1 31 ? 13.369 0.717 2.642 1.00 0.00 ? 31 ILE A N 25 ATOM 34559 C CA . ILE A 1 31 ? 13.879 1.301 1.405 1.00 0.00 ? 31 ILE A CA 25 ATOM 34560 C C . ILE A 1 31 ? 14.416 2.708 1.640 1.00 0.00 ? 31 ILE A C 25 ATOM 34561 O O . ILE A 1 31 ? 15.295 3.176 0.915 1.00 0.00 ? 31 ILE A O 25 ATOM 34562 C CB . ILE A 1 31 ? 12.783 1.352 0.326 1.00 0.00 ? 31 ILE A CB 25 ATOM 34563 C CG1 . ILE A 1 31 ? 13.333 1.908 -0.986 1.00 0.00 ? 31 ILE A CG1 25 ATOM 34564 C CG2 . ILE A 1 31 ? 11.610 2.195 0.800 1.00 0.00 ? 31 ILE A CG2 25 ATOM 34565 C CD1 . ILE A 1 31 ? 14.282 0.970 -1.691 1.00 0.00 ? 31 ILE A CD1 25 ATOM 34566 H H . ILE A 1 31 ? 12.399 0.648 2.772 1.00 0.00 ? 31 ILE A H 25 ATOM 34567 H HA . ILE A 1 31 ? 14.682 0.674 1.045 1.00 0.00 ? 31 ILE A HA 25 ATOM 34568 H HB . ILE A 1 31 ? 12.433 0.345 0.162 1.00 0.00 ? 31 ILE A HB 25 ATOM 34569 H HG12 . ILE A 1 31 ? 12.507 2.107 -1.656 1.00 0.00 ? 31 ILE A HG12 25 ATOM 34570 H HG13 . ILE A 1 31 ? 13.860 2.830 -0.788 1.00 0.00 ? 31 ILE A HG13 25 ATOM 34571 H HG21 . ILE A 1 31 ? 11.299 1.867 1.778 1.00 0.00 ? 31 ILE A HG21 25 ATOM 34572 H HG22 . ILE A 1 31 ? 11.908 3.232 0.848 1.00 0.00 ? 31 ILE A HG22 25 ATOM 34573 H HG23 . ILE A 1 31 ? 10.787 2.091 0.107 1.00 0.00 ? 31 ILE A HG23 25 ATOM 34574 H HD11 . ILE A 1 31 ? 14.733 0.305 -0.971 1.00 0.00 ? 31 ILE A HD11 25 ATOM 34575 H HD12 . ILE A 1 31 ? 13.734 0.393 -2.421 1.00 0.00 ? 31 ILE A HD12 25 ATOM 34576 H HD13 . ILE A 1 31 ? 15.051 1.541 -2.186 1.00 0.00 ? 31 ILE A HD13 25 ATOM 34577 N N . LYS A 1 32 ? 13.885 3.376 2.658 1.00 0.00 ? 32 LYS A N 25 ATOM 34578 C CA . LYS A 1 32 ? 14.313 4.728 2.989 1.00 0.00 ? 32 LYS A CA 25 ATOM 34579 C C . LYS A 1 32 ? 15.616 4.704 3.778 1.00 0.00 ? 32 LYS A C 25 ATOM 34580 O O . LYS A 1 32 ? 16.421 5.632 3.698 1.00 0.00 ? 32 LYS A O 25 ATOM 34581 C CB . LYS A 1 32 ? 13.228 5.448 3.791 1.00 0.00 ? 32 LYS A CB 25 ATOM 34582 C CG . LYS A 1 32 ? 13.525 6.918 4.037 1.00 0.00 ? 32 LYS A CG 25 ATOM 34583 C CD . LYS A 1 32 ? 12.475 7.556 4.932 1.00 0.00 ? 32 LYS A CD 25 ATOM 34584 C CE . LYS A 1 32 ? 11.072 7.327 4.394 1.00 0.00 ? 32 LYS A CE 25 ATOM 34585 N NZ . LYS A 1 32 ? 10.175 8.484 4.671 1.00 0.00 ? 32 LYS A NZ 25 ATOM 34586 H H . LYS A 1 32 ? 13.190 2.947 3.200 1.00 0.00 ? 32 LYS A H 25 ATOM 34587 H HA . LYS A 1 32 ? 14.478 5.259 2.063 1.00 0.00 ? 32 LYS A HA 25 ATOM 34588 H HB2 . LYS A 1 32 ? 12.293 5.376 3.253 1.00 0.00 ? 32 LYS A HB2 25 ATOM 34589 H HB3 . LYS A 1 32 ? 13.121 4.959 4.748 1.00 0.00 ? 32 LYS A HB3 25 ATOM 34590 H HG2 . LYS A 1 32 ? 14.490 7.005 4.512 1.00 0.00 ? 32 LYS A HG2 25 ATOM 34591 H HG3 . LYS A 1 32 ? 13.540 7.435 3.088 1.00 0.00 ? 32 LYS A HG3 25 ATOM 34592 H HD2 . LYS A 1 32 ? 12.546 7.123 5.918 1.00 0.00 ? 32 LYS A HD2 25 ATOM 34593 H HD3 . LYS A 1 32 ? 12.662 8.618 4.988 1.00 0.00 ? 32 LYS A HD3 25 ATOM 34594 H HE2 . LYS A 1 32 ? 11.129 7.175 3.327 1.00 0.00 ? 32 LYS A HE2 25 ATOM 34595 H HE3 . LYS A 1 32 ? 10.660 6.445 4.862 1.00 0.00 ? 32 LYS A HE3 25 ATOM 34596 H HZ1 . LYS A 1 32 ? 10.608 9.110 5.380 1.00 0.00 ? 32 LYS A HZ1 25 ATOM 34597 H HZ2 . LYS A 1 32 ? 10.015 9.028 3.799 1.00 0.00 ? 32 LYS A HZ2 25 ATOM 34598 H HZ3 . LYS A 1 32 ? 9.261 8.149 5.033 1.00 0.00 ? 32 LYS A HZ3 25 ATOM 34599 N N . LYS A 1 33 ? 15.820 3.634 4.539 1.00 0.00 ? 33 LYS A N 25 ATOM 34600 C CA . LYS A 1 33 ? 17.029 3.486 5.340 1.00 0.00 ? 33 LYS A CA 25 ATOM 34601 C C . LYS A 1 33 ? 18.207 3.079 4.463 1.00 0.00 ? 33 LYS A C 25 ATOM 34602 O O . LYS A 1 33 ? 19.337 3.516 4.680 1.00 0.00 ? 33 LYS A O 25 ATOM 34603 C CB . LYS A 1 33 ? 16.812 2.446 6.441 1.00 0.00 ? 33 LYS A CB 25 ATOM 34604 C CG . LYS A 1 33 ? 17.860 2.499 7.542 1.00 0.00 ? 33 LYS A CG 25 ATOM 34605 C CD . LYS A 1 33 ? 17.638 3.684 8.467 1.00 0.00 ? 33 LYS A CD 25 ATOM 34606 C CE . LYS A 1 33 ? 17.996 3.344 9.904 1.00 0.00 ? 33 LYS A CE 25 ATOM 34607 N NZ . LYS A 1 33 ? 17.096 4.022 10.878 1.00 0.00 ? 33 LYS A NZ 25 ATOM 34608 H H . LYS A 1 33 ? 15.144 2.925 4.559 1.00 0.00 ? 33 LYS A H 25 ATOM 34609 H HA . LYS A 1 33 ? 17.246 4.441 5.794 1.00 0.00 ? 33 LYS A HA 25 ATOM 34610 H HB2 . LYS A 1 33 ? 15.844 2.609 6.889 1.00 0.00 ? 33 LYS A HB2 25 ATOM 34611 H HB3 . LYS A 1 33 ? 16.835 1.461 6.000 1.00 0.00 ? 33 LYS A HB3 25 ATOM 34612 H HG2 . LYS A 1 33 ? 17.807 1.589 8.121 1.00 0.00 ? 33 LYS A HG2 25 ATOM 34613 H HG3 . LYS A 1 33 ? 18.838 2.584 7.090 1.00 0.00 ? 33 LYS A HG3 25 ATOM 34614 H HD2 . LYS A 1 33 ? 18.256 4.506 8.138 1.00 0.00 ? 33 LYS A HD2 25 ATOM 34615 H HD3 . LYS A 1 33 ? 16.598 3.973 8.423 1.00 0.00 ? 33 LYS A HD3 25 ATOM 34616 H HE2 . LYS A 1 33 ? 17.917 2.275 10.038 1.00 0.00 ? 33 LYS A HE2 25 ATOM 34617 H HE3 . LYS A 1 33 ? 19.014 3.655 10.092 1.00 0.00 ? 33 LYS A HE3 25 ATOM 34618 H HZ1 . LYS A 1 33 ? 16.108 3.953 10.559 1.00 0.00 ? 33 LYS A HZ1 25 ATOM 34619 H HZ2 . LYS A 1 33 ? 17.180 3.576 11.812 1.00 0.00 ? 33 LYS A HZ2 25 ATOM 34620 H HZ3 . LYS A 1 33 ? 17.351 5.027 10.960 1.00 0.00 ? 33 LYS A HZ3 25 ATOM 34621 N N . LEU A 1 34 ? 17.933 2.241 3.468 1.00 0.00 ? 34 LEU A N 25 ATOM 34622 C CA . LEU A 1 34 ? 18.968 1.777 2.553 1.00 0.00 ? 34 LEU A CA 25 ATOM 34623 C C . LEU A 1 34 ? 19.374 2.886 1.589 1.00 0.00 ? 34 LEU A C 25 ATOM 34624 O O . LEU A 1 34 ? 20.548 3.027 1.248 1.00 0.00 ? 34 LEU A O 25 ATOM 34625 C CB . LEU A 1 34 ? 18.478 0.557 1.770 1.00 0.00 ? 34 LEU A CB 25 ATOM 34626 C CG . LEU A 1 34 ? 19.534 -0.524 1.526 1.00 0.00 ? 34 LEU A CG 25 ATOM 34627 C CD1 . LEU A 1 34 ? 20.841 0.099 1.059 1.00 0.00 ? 34 LEU A CD1 25 ATOM 34628 C CD2 . LEU A 1 34 ? 19.754 -1.346 2.786 1.00 0.00 ? 34 LEU A CD2 25 ATOM 34629 H H . LEU A 1 34 ? 17.012 1.931 3.344 1.00 0.00 ? 34 LEU A H 25 ATOM 34630 H HA . LEU A 1 34 ? 19.828 1.495 3.142 1.00 0.00 ? 34 LEU A HA 25 ATOM 34631 H HB2 . LEU A 1 34 ? 17.657 0.113 2.314 1.00 0.00 ? 34 LEU A HB2 25 ATOM 34632 H HB3 . LEU A 1 34 ? 18.113 0.894 0.812 1.00 0.00 ? 34 LEU A HB3 25 ATOM 34633 H HG . LEU A 1 34 ? 19.186 -1.188 0.749 1.00 0.00 ? 34 LEU A HG 25 ATOM 34634 H HD11 . LEU A 1 34 ? 21.083 0.943 1.687 1.00 0.00 ? 34 LEU A HD11 25 ATOM 34635 H HD12 . LEU A 1 34 ? 21.632 -0.635 1.123 1.00 0.00 ? 34 LEU A HD12 25 ATOM 34636 H HD13 . LEU A 1 34 ? 20.737 0.428 0.036 1.00 0.00 ? 34 LEU A HD13 25 ATOM 34637 H HD21 . LEU A 1 34 ? 19.203 -0.906 3.604 1.00 0.00 ? 34 LEU A HD21 25 ATOM 34638 H HD22 . LEU A 1 34 ? 19.410 -2.357 2.622 1.00 0.00 ? 34 LEU A HD22 25 ATOM 34639 H HD23 . LEU A 1 34 ? 20.807 -1.360 3.028 1.00 0.00 ? 34 LEU A HD23 25 ATOM 34640 N N . LYS A 1 35 ? 18.395 3.674 1.156 1.00 0.00 ? 35 LYS A N 25 ATOM 34641 C CA . LYS A 1 35 ? 18.654 4.774 0.234 1.00 0.00 ? 35 LYS A CA 25 ATOM 34642 C C . LYS A 1 35 ? 19.258 5.961 0.973 1.00 0.00 ? 35 LYS A C 25 ATOM 34643 O O . LYS A 1 35 ? 19.996 6.757 0.392 1.00 0.00 ? 35 LYS A O 25 ATOM 34644 C CB . LYS A 1 35 ? 17.363 5.195 -0.470 1.00 0.00 ? 35 LYS A CB 25 ATOM 34645 C CG . LYS A 1 35 ? 17.570 6.259 -1.534 1.00 0.00 ? 35 LYS A CG 25 ATOM 34646 C CD . LYS A 1 35 ? 18.287 5.698 -2.751 1.00 0.00 ? 35 LYS A CD 25 ATOM 34647 C CE . LYS A 1 35 ? 17.312 5.384 -3.875 1.00 0.00 ? 35 LYS A CE 25 ATOM 34648 N NZ . LYS A 1 35 ? 16.788 6.621 -4.517 1.00 0.00 ? 35 LYS A NZ 25 ATOM 34649 H H . LYS A 1 35 ? 17.478 3.515 1.464 1.00 0.00 ? 35 LYS A H 25 ATOM 34650 H HA . LYS A 1 35 ? 19.361 4.427 -0.505 1.00 0.00 ? 35 LYS A HA 25 ATOM 34651 H HB2 . LYS A 1 35 ? 16.923 4.328 -0.939 1.00 0.00 ? 35 LYS A HB2 25 ATOM 34652 H HB3 . LYS A 1 35 ? 16.675 5.583 0.267 1.00 0.00 ? 35 LYS A HB3 25 ATOM 34653 H HG2 . LYS A 1 35 ? 16.609 6.642 -1.841 1.00 0.00 ? 35 LYS A HG2 25 ATOM 34654 H HG3 . LYS A 1 35 ? 18.162 7.061 -1.117 1.00 0.00 ? 35 LYS A HG3 25 ATOM 34655 H HD2 . LYS A 1 35 ? 19.004 6.423 -3.103 1.00 0.00 ? 35 LYS A HD2 25 ATOM 34656 H HD3 . LYS A 1 35 ? 18.800 4.790 -2.468 1.00 0.00 ? 35 LYS A HD3 25 ATOM 34657 H HE2 . LYS A 1 35 ? 17.821 4.791 -4.621 1.00 0.00 ? 35 LYS A HE2 25 ATOM 34658 H HE3 . LYS A 1 35 ? 16.486 4.820 -3.470 1.00 0.00 ? 35 LYS A HE3 25 ATOM 34659 H HZ1 . LYS A 1 35 ? 16.889 7.429 -3.870 1.00 0.00 ? 35 LYS A HZ1 25 ATOM 34660 H HZ2 . LYS A 1 35 ? 17.316 6.823 -5.390 1.00 0.00 ? 35 LYS A HZ2 25 ATOM 34661 H HZ3 . LYS A 1 35 ? 15.782 6.502 -4.753 1.00 0.00 ? 35 LYS A HZ3 25 ATOM 34662 N N . GLN A 1 36 ? 18.942 6.072 2.259 1.00 0.00 ? 36 GLN A N 25 ATOM 34663 C CA . GLN A 1 36 ? 19.455 7.159 3.082 1.00 0.00 ? 36 GLN A CA 25 ATOM 34664 C C . GLN A 1 36 ? 20.896 6.885 3.497 1.00 0.00 ? 36 GLN A C 25 ATOM 34665 O O . GLN A 1 36 ? 21.665 7.810 3.755 1.00 0.00 ? 36 GLN A O 25 ATOM 34666 C CB . GLN A 1 36 ? 18.579 7.347 4.321 1.00 0.00 ? 36 GLN A CB 25 ATOM 34667 C CG . GLN A 1 36 ? 17.341 8.192 4.070 1.00 0.00 ? 36 GLN A CG 25 ATOM 34668 C CD . GLN A 1 36 ? 16.448 8.295 5.291 1.00 0.00 ? 36 GLN A CD 25 ATOM 34669 O OE1 . GLN A 1 36 ? 16.649 7.593 6.282 1.00 0.00 ? 36 GLN A OE1 25 ATOM 34670 N NE2 . GLN A 1 36 ? 15.454 9.172 5.224 1.00 0.00 ? 36 GLN A NE2 25 ATOM 34671 H H . GLN A 1 36 ? 18.350 5.403 2.665 1.00 0.00 ? 36 GLN A H 25 ATOM 34672 H HA . GLN A 1 36 ? 19.429 8.063 2.491 1.00 0.00 ? 36 GLN A HA 25 ATOM 34673 H HB2 . GLN A 1 36 ? 18.261 6.378 4.674 1.00 0.00 ? 36 GLN A HB2 25 ATOM 34674 H HB3 . GLN A 1 36 ? 19.166 7.826 5.093 1.00 0.00 ? 36 GLN A HB3 25 ATOM 34675 H HG2 . GLN A 1 36 ? 17.652 9.186 3.786 1.00 0.00 ? 36 GLN A HG2 25 ATOM 34676 H HG3 . GLN A 1 36 ? 16.776 7.748 3.264 1.00 0.00 ? 36 GLN A HG3 25 ATOM 34677 H HE21 . GLN A 1 36 ? 15.353 9.696 4.401 1.00 0.00 ? 36 GLN A HE21 25 ATOM 34678 H HE22 . GLN A 1 36 ? 14.860 9.260 5.998 1.00 0.00 ? 36 GLN A HE22 25 ATOM 34679 N N . SER A 1 37 ? 21.253 5.605 3.560 1.00 0.00 ? 37 SER A N 25 ATOM 34680 C CA . SER A 1 37 ? 22.603 5.208 3.942 1.00 0.00 ? 37 SER A CA 25 ATOM 34681 C C . SER A 1 37 ? 23.595 5.503 2.821 1.00 0.00 ? 37 SER A C 25 ATOM 34682 O O . SER A 1 37 ? 24.764 5.792 3.073 1.00 0.00 ? 37 SER A O 25 ATOM 34683 C CB . SER A 1 37 ? 22.639 3.719 4.292 1.00 0.00 ? 37 SER A CB 25 ATOM 34684 O OG . SER A 1 37 ? 22.493 2.919 3.131 1.00 0.00 ? 37 SER A OG 25 ATOM 34685 H H . SER A 1 37 ? 20.595 4.913 3.341 1.00 0.00 ? 37 SER A H 25 ATOM 34686 H HA . SER A 1 37 ? 22.883 5.780 4.814 1.00 0.00 ? 37 SER A HA 25 ATOM 34687 H HB2 . SER A 1 37 ? 23.584 3.484 4.759 1.00 0.00 ? 37 SER A HB2 25 ATOM 34688 H HB3 . SER A 1 37 ? 21.833 3.492 4.975 1.00 0.00 ? 37 SER A HB3 25 ATOM 34689 H HG . SER A 1 37 ? 22.360 2.003 3.388 1.00 0.00 ? 37 SER A HG 25 ATOM 34690 N N . GLU A 1 38 ? 23.120 5.427 1.582 1.00 0.00 ? 38 GLU A N 25 ATOM 34691 C CA . GLU A 1 38 ? 23.965 5.686 0.422 1.00 0.00 ? 38 GLU A CA 25 ATOM 34692 C C . GLU A 1 38 ? 24.263 7.177 0.290 1.00 0.00 ? 38 GLU A C 25 ATOM 34693 O O . GLU A 1 38 ? 25.286 7.568 -0.272 1.00 0.00 ? 38 GLU A O 25 ATOM 34694 C CB . GLU A 1 38 ? 23.290 5.174 -0.852 1.00 0.00 ? 38 GLU A CB 25 ATOM 34695 C CG . GLU A 1 38 ? 24.081 5.462 -2.117 1.00 0.00 ? 38 GLU A CG 25 ATOM 34696 C CD . GLU A 1 38 ? 25.554 5.132 -1.972 1.00 0.00 ? 38 GLU A CD 25 ATOM 34697 O OE1 . GLU A 1 38 ? 25.869 4.054 -1.425 1.00 0.00 ? 38 GLU A OE1 25 ATOM 34698 O OE2 . GLU A 1 38 ? 26.392 5.951 -2.403 1.00 0.00 ? 38 GLU A OE2 25 ATOM 34699 H H . GLU A 1 38 ? 22.178 5.192 1.444 1.00 0.00 ? 38 GLU A H 25 ATOM 34700 H HA . GLU A 1 38 ? 24.895 5.156 0.564 1.00 0.00 ? 38 GLU A HA 25 ATOM 34701 H HB2 . GLU A 1 38 ? 23.157 4.106 -0.771 1.00 0.00 ? 38 GLU A HB2 25 ATOM 34702 H HB3 . GLU A 1 38 ? 22.321 5.643 -0.946 1.00 0.00 ? 38 GLU A HB3 25 ATOM 34703 H HG2 . GLU A 1 38 ? 23.674 4.871 -2.924 1.00 0.00 ? 38 GLU A HG2 25 ATOM 34704 H HG3 . GLU A 1 38 ? 23.985 6.511 -2.357 1.00 0.00 ? 38 GLU A HG3 25 ATOM 34705 N N . ASP A 1 39 ? 23.362 8.003 0.812 1.00 0.00 ? 39 ASP A N 25 ATOM 34706 C CA . ASP A 1 39 ? 23.529 9.450 0.754 1.00 0.00 ? 39 ASP A CA 25 ATOM 34707 C C . ASP A 1 39 ? 23.129 10.096 2.077 1.00 0.00 ? 39 ASP A C 25 ATOM 34708 O O . ASP A 1 39 ? 22.497 11.152 2.099 1.00 0.00 ? 39 ASP A O 25 ATOM 34709 C CB . ASP A 1 39 ? 22.692 10.035 -0.385 1.00 0.00 ? 39 ASP A CB 25 ATOM 34710 C CG . ASP A 1 39 ? 23.190 11.396 -0.829 1.00 0.00 ? 39 ASP A CG 25 ATOM 34711 O OD1 . ASP A 1 39 ? 23.766 12.121 0.009 1.00 0.00 ? 39 ASP A OD1 25 ATOM 34712 O OD2 . ASP A 1 39 ? 23.005 11.737 -2.017 1.00 0.00 ? 39 ASP A OD2 25 ATOM 34713 H H . ASP A 1 39 ? 22.567 7.630 1.247 1.00 0.00 ? 39 ASP A H 25 ATOM 34714 H HA . ASP A 1 39 ? 24.571 9.658 0.566 1.00 0.00 ? 39 ASP A HA 25 ATOM 34715 H HB2 . ASP A 1 39 ? 22.729 9.365 -1.231 1.00 0.00 ? 39 ASP A HB2 25 ATOM 34716 H HB3 . ASP A 1 39 ? 21.668 10.136 -0.056 1.00 0.00 ? 39 ASP A HB3 25 ATOM 34717 N N . ASP A 1 40 ? 23.501 9.453 3.179 1.00 0.00 ? 40 ASP A N 25 ATOM 34718 C CA . ASP A 1 40 ? 23.180 9.963 4.507 1.00 0.00 ? 40 ASP A CA 25 ATOM 34719 C C . ASP A 1 40 ? 23.894 11.285 4.770 1.00 0.00 ? 40 ASP A C 25 ATOM 34720 O O . ASP A 1 40 ? 24.994 11.519 4.268 1.00 0.00 ? 40 ASP A O 25 ATOM 34721 C CB . ASP A 1 40 ? 23.569 8.940 5.576 1.00 0.00 ? 40 ASP A CB 25 ATOM 34722 C CG . ASP A 1 40 ? 22.817 9.150 6.876 1.00 0.00 ? 40 ASP A CG 25 ATOM 34723 O OD1 . ASP A 1 40 ? 21.780 9.845 6.858 1.00 0.00 ? 40 ASP A OD1 25 ATOM 34724 O OD2 . ASP A 1 40 ? 23.265 8.616 7.914 1.00 0.00 ? 40 ASP A OD2 25 ATOM 34725 H H . ASP A 1 40 ? 24.002 8.615 3.097 1.00 0.00 ? 40 ASP A H 25 ATOM 34726 H HA . ASP A 1 40 ? 22.114 10.128 4.550 1.00 0.00 ? 40 ASP A HA 25 ATOM 34727 H HB2 . ASP A 1 40 ? 23.350 7.948 5.212 1.00 0.00 ? 40 ASP A HB2 25 ATOM 34728 H HB3 . ASP A 1 40 ? 24.627 9.021 5.776 1.00 0.00 ? 40 ASP A HB3 25 ATOM 34729 N N . ASP A 1 41 ? 23.261 12.147 5.558 1.00 0.00 ? 41 ASP A N 25 ATOM 34730 C CA . ASP A 1 41 ? 23.835 13.446 5.888 1.00 0.00 ? 41 ASP A CA 25 ATOM 34731 C C . ASP A 1 41 ? 24.378 13.457 7.313 1.00 0.00 ? 41 ASP A C 25 ATOM 34732 O O . ASP A 1 41 ? 25.566 13.800 7.491 1.00 0.00 ? 41 ASP A O 25 ATOM 34733 C CB . ASP A 1 41 ? 22.787 14.547 5.721 1.00 0.00 ? 41 ASP A CB 25 ATOM 34734 C CG . ASP A 1 41 ? 23.227 15.622 4.746 1.00 0.00 ? 41 ASP A CG 25 ATOM 34735 O OD1 . ASP A 1 41 ? 23.646 15.270 3.623 1.00 0.00 ? 41 ASP A OD1 25 ATOM 34736 O OD2 . ASP A 1 41 ? 23.151 16.816 5.105 1.00 0.00 ? 41 ASP A OD2 25 ATOM 34737 O OXT . ASP A 1 41 ? 23.611 13.121 8.240 1.00 0.00 ? 41 ASP A OXT 25 ATOM 34738 H H . ASP A 1 41 ? 22.387 11.904 5.928 1.00 0.00 ? 41 ASP A H 25 ATOM 34739 H HA . ASP A 1 41 ? 24.650 13.632 5.204 1.00 0.00 ? 41 ASP A HA 25 ATOM 34740 H HB2 . ASP A 1 41 ? 21.870 14.111 5.355 1.00 0.00 ? 41 ASP A HB2 25 ATOM 34741 H HB3 . ASP A 1 41 ? 22.603 15.010 6.679 1.00 0.00 ? 41 ASP A HB3 25 ATOM 34742 N N . ALA B 1 1 ? 32.359 7.085 -3.246 1.00 0.00 ? 1 ALA B N 25 ATOM 34743 C CA . ALA B 1 1 ? 31.281 6.262 -2.638 1.00 0.00 ? 1 ALA B CA 25 ATOM 34744 C C . ALA B 1 1 ? 30.278 5.810 -3.694 1.00 0.00 ? 1 ALA B C 25 ATOM 34745 O O . ALA B 1 1 ? 29.464 6.602 -4.169 1.00 0.00 ? 1 ALA B O 25 ATOM 34746 C CB . ALA B 1 1 ? 30.576 7.043 -1.540 1.00 0.00 ? 1 ALA B CB 25 ATOM 34747 H H1 . ALA B 1 1 ? 32.488 6.766 -4.226 1.00 0.00 ? 1 ALA B H1 25 ATOM 34748 H H2 . ALA B 1 1 ? 32.053 8.081 -3.211 1.00 0.00 ? 1 ALA B H2 25 ATOM 34749 H H3 . ALA B 1 1 ? 33.223 6.939 -2.687 1.00 0.00 ? 1 ALA B H3 25 ATOM 34750 H HA . ALA B 1 1 ? 31.733 5.389 -2.191 1.00 0.00 ? 1 ALA B HA 25 ATOM 34751 H HB1 . ALA B 1 1 ? 29.941 7.796 -1.985 1.00 0.00 ? 1 ALA B HB1 25 ATOM 34752 H HB2 . ALA B 1 1 ? 31.311 7.521 -0.909 1.00 0.00 ? 1 ALA B HB2 25 ATOM 34753 H HB3 . ALA B 1 1 ? 29.976 6.369 -0.947 1.00 0.00 ? 1 ALA B HB3 25 ATOM 34754 N N . LEU B 1 2 ? 30.343 4.533 -4.056 1.00 0.00 ? 2 LEU B N 25 ATOM 34755 C CA . LEU B 1 2 ? 29.440 3.976 -5.056 1.00 0.00 ? 2 LEU B CA 25 ATOM 34756 C C . LEU B 1 2 ? 28.738 2.731 -4.522 1.00 0.00 ? 2 LEU B C 25 ATOM 34757 O O . LEU B 1 2 ? 27.564 2.777 -4.157 1.00 0.00 ? 2 LEU B O 25 ATOM 34758 C CB . LEU B 1 2 ? 30.208 3.637 -6.334 1.00 0.00 ? 2 LEU B CB 25 ATOM 34759 C CG . LEU B 1 2 ? 29.374 2.987 -7.438 1.00 0.00 ? 2 LEU B CG 25 ATOM 34760 C CD1 . LEU B 1 2 ? 29.089 3.984 -8.551 1.00 0.00 ? 2 LEU B CD1 25 ATOM 34761 C CD2 . LEU B 1 2 ? 30.084 1.759 -7.988 1.00 0.00 ? 2 LEU B CD2 25 ATOM 34762 H H . LEU B 1 2 ? 31.014 3.952 -3.641 1.00 0.00 ? 2 LEU B H 25 ATOM 34763 H HA . LEU B 1 2 ? 28.694 4.724 -5.282 1.00 0.00 ? 2 LEU B HA 25 ATOM 34764 H HB2 . LEU B 1 2 ? 30.636 4.549 -6.725 1.00 0.00 ? 2 LEU B HB2 25 ATOM 34765 H HB3 . LEU B 1 2 ? 31.012 2.964 -6.078 1.00 0.00 ? 2 LEU B HB3 25 ATOM 34766 H HG . LEU B 1 2 ? 28.426 2.669 -7.025 1.00 0.00 ? 2 LEU B HG 25 ATOM 34767 H HD11 . LEU B 1 2 ? 29.785 4.807 -8.481 1.00 0.00 ? 2 LEU B HD11 25 ATOM 34768 H HD12 . LEU B 1 2 ? 29.203 3.497 -9.508 1.00 0.00 ? 2 LEU B HD12 25 ATOM 34769 H HD13 . LEU B 1 2 ? 28.081 4.356 -8.452 1.00 0.00 ? 2 LEU B HD13 25 ATOM 34770 H HD21 . LEU B 1 2 ? 30.489 1.181 -7.172 1.00 0.00 ? 2 LEU B HD21 25 ATOM 34771 H HD22 . LEU B 1 2 ? 29.381 1.155 -8.543 1.00 0.00 ? 2 LEU B HD22 25 ATOM 34772 H HD23 . LEU B 1 2 ? 30.885 2.069 -8.643 1.00 0.00 ? 2 LEU B HD23 25 ATOM 34773 N N . LYS B 1 3 ? 29.465 1.619 -4.480 1.00 0.00 ? 3 LYS B N 25 ATOM 34774 C CA . LYS B 1 3 ? 28.912 0.362 -3.990 1.00 0.00 ? 3 LYS B CA 25 ATOM 34775 C C . LYS B 1 3 ? 27.717 -0.071 -4.834 1.00 0.00 ? 3 LYS B C 25 ATOM 34776 O O . LYS B 1 3 ? 27.004 0.763 -5.393 1.00 0.00 ? 3 LYS B O 25 ATOM 34777 C CB . LYS B 1 3 ? 28.493 0.500 -2.525 1.00 0.00 ? 3 LYS B CB 25 ATOM 34778 C CG . LYS B 1 3 ? 29.664 0.558 -1.560 1.00 0.00 ? 3 LYS B CG 25 ATOM 34779 C CD . LYS B 1 3 ? 30.380 1.897 -1.630 1.00 0.00 ? 3 LYS B CD 25 ATOM 34780 C CE . LYS B 1 3 ? 29.441 3.048 -1.306 1.00 0.00 ? 3 LYS B CE 25 ATOM 34781 N NZ . LYS B 1 3 ? 30.009 3.952 -0.268 1.00 0.00 ? 3 LYS B NZ 25 ATOM 34782 H H . LYS B 1 3 ? 30.396 1.645 -4.784 1.00 0.00 ? 3 LYS B H 25 ATOM 34783 H HA . LYS B 1 3 ? 29.682 -0.391 -4.066 1.00 0.00 ? 3 LYS B HA 25 ATOM 34784 H HB2 . LYS B 1 3 ? 27.915 1.406 -2.413 1.00 0.00 ? 3 LYS B HB2 25 ATOM 34785 H HB3 . LYS B 1 3 ? 27.876 -0.345 -2.259 1.00 0.00 ? 3 LYS B HB3 25 ATOM 34786 H HG2 . LYS B 1 3 ? 29.297 0.411 -0.554 1.00 0.00 ? 3 LYS B HG2 25 ATOM 34787 H HG3 . LYS B 1 3 ? 30.363 -0.228 -1.809 1.00 0.00 ? 3 LYS B HG3 25 ATOM 34788 H HD2 . LYS B 1 3 ? 31.192 1.898 -0.920 1.00 0.00 ? 3 LYS B HD2 25 ATOM 34789 H HD3 . LYS B 1 3 ? 30.770 2.033 -2.628 1.00 0.00 ? 3 LYS B HD3 25 ATOM 34790 H HE2 . LYS B 1 3 ? 29.263 3.617 -2.207 1.00 0.00 ? 3 LYS B HE2 25 ATOM 34791 H HE3 . LYS B 1 3 ? 28.507 2.643 -0.946 1.00 0.00 ? 3 LYS B HE3 25 ATOM 34792 H HZ1 . LYS B 1 3 ? 30.379 3.394 0.529 1.00 0.00 ? 3 LYS B HZ1 25 ATOM 34793 H HZ2 . LYS B 1 3 ? 30.784 4.517 -0.670 1.00 0.00 ? 3 LYS B HZ2 25 ATOM 34794 H HZ3 . LYS B 1 3 ? 29.274 4.596 0.087 1.00 0.00 ? 3 LYS B HZ3 25 ATOM 34795 N N . LYS B 1 4 ? 27.504 -1.380 -4.922 1.00 0.00 ? 4 LYS B N 25 ATOM 34796 C CA . LYS B 1 4 ? 26.394 -1.923 -5.696 1.00 0.00 ? 4 LYS B CA 25 ATOM 34797 C C . LYS B 1 4 ? 25.555 -2.887 -4.859 1.00 0.00 ? 4 LYS B C 25 ATOM 34798 O O . LYS B 1 4 ? 24.819 -3.711 -5.401 1.00 0.00 ? 4 LYS B O 25 ATOM 34799 C CB . LYS B 1 4 ? 26.916 -2.635 -6.945 1.00 0.00 ? 4 LYS B CB 25 ATOM 34800 C CG . LYS B 1 4 ? 28.186 -3.435 -6.704 1.00 0.00 ? 4 LYS B CG 25 ATOM 34801 C CD . LYS B 1 4 ? 28.939 -3.690 -7.999 1.00 0.00 ? 4 LYS B CD 25 ATOM 34802 C CE . LYS B 1 4 ? 30.127 -2.752 -8.146 1.00 0.00 ? 4 LYS B CE 25 ATOM 34803 N NZ . LYS B 1 4 ? 30.549 -2.607 -9.567 1.00 0.00 ? 4 LYS B NZ 25 ATOM 34804 H H . LYS B 1 4 ? 28.106 -1.995 -4.453 1.00 0.00 ? 4 LYS B H 25 ATOM 34805 H HA . LYS B 1 4 ? 25.768 -1.096 -6.000 1.00 0.00 ? 4 LYS B HA 25 ATOM 34806 H HB2 . LYS B 1 4 ? 26.155 -3.311 -7.305 1.00 0.00 ? 4 LYS B HB2 25 ATOM 34807 H HB3 . LYS B 1 4 ? 27.121 -1.898 -7.707 1.00 0.00 ? 4 LYS B HB3 25 ATOM 34808 H HG2 . LYS B 1 4 ? 28.825 -2.884 -6.030 1.00 0.00 ? 4 LYS B HG2 25 ATOM 34809 H HG3 . LYS B 1 4 ? 27.923 -4.383 -6.258 1.00 0.00 ? 4 LYS B HG3 25 ATOM 34810 H HD2 . LYS B 1 4 ? 29.296 -4.709 -8.003 1.00 0.00 ? 4 LYS B HD2 25 ATOM 34811 H HD3 . LYS B 1 4 ? 28.267 -3.538 -8.831 1.00 0.00 ? 4 LYS B HD3 25 ATOM 34812 H HE2 . LYS B 1 4 ? 29.854 -1.782 -7.760 1.00 0.00 ? 4 LYS B HE2 25 ATOM 34813 H HE3 . LYS B 1 4 ? 30.953 -3.147 -7.572 1.00 0.00 ? 4 LYS B HE3 25 ATOM 34814 H HZ1 . LYS B 1 4 ? 29.723 -2.404 -10.166 1.00 0.00 ? 4 LYS B HZ1 25 ATOM 34815 H HZ2 . LYS B 1 4 ? 31.231 -1.827 -9.660 1.00 0.00 ? 4 LYS B HZ2 25 ATOM 34816 H HZ3 . LYS B 1 4 ? 30.996 -3.485 -9.899 1.00 0.00 ? 4 LYS B HZ3 25 ATOM 34817 N N . HIS B 1 5 ? 25.666 -2.775 -3.539 1.00 0.00 ? 5 HIS B N 25 ATOM 34818 C CA . HIS B 1 5 ? 24.911 -3.632 -2.635 1.00 0.00 ? 5 HIS B CA 25 ATOM 34819 C C . HIS B 1 5 ? 23.630 -2.936 -2.190 1.00 0.00 ? 5 HIS B C 25 ATOM 34820 O O . HIS B 1 5 ? 22.566 -3.555 -2.107 1.00 0.00 ? 5 HIS B O 25 ATOM 34821 C CB . HIS B 1 5 ? 25.759 -3.998 -1.415 1.00 0.00 ? 5 HIS B CB 25 ATOM 34822 C CG . HIS B 1 5 ? 27.191 -4.284 -1.748 1.00 0.00 ? 5 HIS B CG 25 ATOM 34823 N ND1 . HIS B 1 5 ? 27.587 -4.864 -2.935 1.00 0.00 ? 5 HIS B ND1 25 ATOM 34824 C CD2 . HIS B 1 5 ? 28.326 -4.067 -1.040 1.00 0.00 ? 5 HIS B CD2 25 ATOM 34825 C CE1 . HIS B 1 5 ? 28.902 -4.992 -2.943 1.00 0.00 ? 5 HIS B CE1 25 ATOM 34826 N NE2 . HIS B 1 5 ? 29.373 -4.516 -1.806 1.00 0.00 ? 5 HIS B NE2 25 ATOM 34827 H H . HIS B 1 5 ? 26.264 -2.095 -3.163 1.00 0.00 ? 5 HIS B H 25 ATOM 34828 H HA . HIS B 1 5 ? 24.652 -4.534 -3.169 1.00 0.00 ? 5 HIS B HA 25 ATOM 34829 H HB2 . HIS B 1 5 ? 25.739 -3.179 -0.713 1.00 0.00 ? 5 HIS B HB2 25 ATOM 34830 H HB3 . HIS B 1 5 ? 25.343 -4.878 -0.947 1.00 0.00 ? 5 HIS B HB3 25 ATOM 34831 H HD1 . HIS B 1 5 ? 26.993 -5.141 -3.663 1.00 0.00 ? 5 HIS B HD1 25 ATOM 34832 H HD2 . HIS B 1 5 ? 28.393 -3.624 -0.057 1.00 0.00 ? 5 HIS B HD2 25 ATOM 34833 H HE1 . HIS B 1 5 ? 29.492 -5.414 -3.744 1.00 0.00 ? 5 HIS B HE1 25 ATOM 34834 H HE2 . HIS B 1 5 ? 30.319 -4.489 -1.552 1.00 0.00 ? 5 HIS B HE2 25 ATOM 34835 N N . HIS B 1 6 ? 23.739 -1.641 -1.910 1.00 0.00 ? 6 HIS B N 25 ATOM 34836 C CA . HIS B 1 6 ? 22.592 -0.857 -1.480 1.00 0.00 ? 6 HIS B CA 25 ATOM 34837 C C . HIS B 1 6 ? 21.535 -0.815 -2.574 1.00 0.00 ? 6 HIS B C 25 ATOM 34838 O O . HIS B 1 6 ? 20.348 -0.946 -2.298 1.00 0.00 ? 6 HIS B O 25 ATOM 34839 C CB . HIS B 1 6 ? 23.021 0.563 -1.108 1.00 0.00 ? 6 HIS B CB 25 ATOM 34840 C CG . HIS B 1 6 ? 23.704 0.653 0.221 1.00 0.00 ? 6 HIS B CG 25 ATOM 34841 N ND1 . HIS B 1 6 ? 23.929 -0.443 1.028 1.00 0.00 ? 6 HIS B ND1 25 ATOM 34842 C CD2 . HIS B 1 6 ? 24.215 1.718 0.884 1.00 0.00 ? 6 HIS B CD2 25 ATOM 34843 C CE1 . HIS B 1 6 ? 24.547 -0.055 2.130 1.00 0.00 ? 6 HIS B CE1 25 ATOM 34844 N NE2 . HIS B 1 6 ? 24.732 1.249 2.066 1.00 0.00 ? 6 HIS B NE2 25 ATOM 34845 H H . HIS B 1 6 ? 24.612 -1.204 -2.000 1.00 0.00 ? 6 HIS B H 25 ATOM 34846 H HA . HIS B 1 6 ? 22.169 -1.339 -0.611 1.00 0.00 ? 6 HIS B HA 25 ATOM 34847 H HB2 . HIS B 1 6 ? 23.704 0.934 -1.858 1.00 0.00 ? 6 HIS B HB2 25 ATOM 34848 H HB3 . HIS B 1 6 ? 22.148 1.199 -1.079 1.00 0.00 ? 6 HIS B HB3 25 ATOM 34849 H HD1 . HIS B 1 6 ? 23.673 -1.366 0.823 1.00 0.00 ? 6 HIS B HD1 25 ATOM 34850 H HD2 . HIS B 1 6 ? 24.215 2.745 0.545 1.00 0.00 ? 6 HIS B HD2 25 ATOM 34851 H HE1 . HIS B 1 6 ? 24.849 -0.698 2.944 1.00 0.00 ? 6 HIS B HE1 25 ATOM 34852 H HE2 . HIS B 1 6 ? 25.168 1.794 2.754 1.00 0.00 ? 6 HIS B HE2 25 ATOM 34853 N N . GLU B 1 7 ? 21.974 -0.642 -3.817 1.00 0.00 ? 7 GLU B N 25 ATOM 34854 C CA . GLU B 1 7 ? 21.059 -0.600 -4.948 1.00 0.00 ? 7 GLU B CA 25 ATOM 34855 C C . GLU B 1 7 ? 20.306 -1.922 -5.073 1.00 0.00 ? 7 GLU B C 25 ATOM 34856 O O . GLU B 1 7 ? 19.206 -1.971 -5.622 1.00 0.00 ? 7 GLU B O 25 ATOM 34857 C CB . GLU B 1 7 ? 21.822 -0.308 -6.242 1.00 0.00 ? 7 GLU B CB 25 ATOM 34858 C CG . GLU B 1 7 ? 23.125 -1.080 -6.367 1.00 0.00 ? 7 GLU B CG 25 ATOM 34859 C CD . GLU B 1 7 ? 23.511 -1.343 -7.810 1.00 0.00 ? 7 GLU B CD 25 ATOM 34860 O OE1 . GLU B 1 7 ? 23.091 -2.384 -8.356 1.00 0.00 ? 7 GLU B OE1 25 ATOM 34861 O OE2 . GLU B 1 7 ? 24.233 -0.507 -8.392 1.00 0.00 ? 7 GLU B OE2 25 ATOM 34862 H H . GLU B 1 7 ? 22.934 -0.548 -3.977 1.00 0.00 ? 7 GLU B H 25 ATOM 34863 H HA . GLU B 1 7 ? 20.347 0.193 -4.772 1.00 0.00 ? 7 GLU B HA 25 ATOM 34864 H HB2 . GLU B 1 7 ? 21.194 -0.565 -7.083 1.00 0.00 ? 7 GLU B HB2 25 ATOM 34865 H HB3 . GLU B 1 7 ? 22.048 0.747 -6.283 1.00 0.00 ? 7 GLU B HB3 25 ATOM 34866 H HG2 . GLU B 1 7 ? 23.913 -0.509 -5.898 1.00 0.00 ? 7 GLU B HG2 25 ATOM 34867 H HG3 . GLU B 1 7 ? 23.017 -2.028 -5.860 1.00 0.00 ? 7 GLU B HG3 25 ATOM 34868 N N . ASN B 1 8 ? 20.906 -2.990 -4.552 1.00 0.00 ? 8 ASN B N 25 ATOM 34869 C CA . ASN B 1 8 ? 20.288 -4.311 -4.596 1.00 0.00 ? 8 ASN B CA 25 ATOM 34870 C C . ASN B 1 8 ? 19.086 -4.366 -3.661 1.00 0.00 ? 8 ASN B C 25 ATOM 34871 O O . ASN B 1 8 ? 17.955 -4.579 -4.100 1.00 0.00 ? 8 ASN B O 25 ATOM 34872 C CB . ASN B 1 8 ? 21.304 -5.388 -4.209 1.00 0.00 ? 8 ASN B CB 25 ATOM 34873 C CG . ASN B 1 8 ? 21.689 -6.267 -5.382 1.00 0.00 ? 8 ASN B CG 25 ATOM 34874 O OD1 . ASN B 1 8 ? 20.828 -6.813 -6.072 1.00 0.00 ? 8 ASN B OD1 25 ATOM 34875 N ND2 . ASN B 1 8 ? 22.989 -6.409 -5.615 1.00 0.00 ? 8 ASN B ND2 25 ATOM 34876 H H . ASN B 1 8 ? 21.780 -2.888 -4.123 1.00 0.00 ? 8 ASN B H 25 ATOM 34877 H HA . ASN B 1 8 ? 19.954 -4.489 -5.607 1.00 0.00 ? 8 ASN B HA 25 ATOM 34878 H HB2 . ASN B 1 8 ? 22.197 -4.913 -3.831 1.00 0.00 ? 8 ASN B HB2 25 ATOM 34879 H HB3 . ASN B 1 8 ? 20.880 -6.013 -3.437 1.00 0.00 ? 8 ASN B HB3 25 ATOM 34880 H HD21 . ASN B 1 8 ? 23.617 -5.945 -5.025 1.00 0.00 ? 8 ASN B HD21 25 ATOM 34881 H HD22 . ASN B 1 8 ? 23.265 -6.973 -6.367 1.00 0.00 ? 8 ASN B HD22 25 ATOM 34882 N N . GLU B 1 9 ? 19.333 -4.152 -2.372 1.00 0.00 ? 9 GLU B N 25 ATOM 34883 C CA . GLU B 1 9 ? 18.257 -4.157 -1.384 1.00 0.00 ? 9 GLU B CA 25 ATOM 34884 C C . GLU B 1 9 ? 17.350 -2.937 -1.563 1.00 0.00 ? 9 GLU B C 25 ATOM 34885 O O . GLU B 1 9 ? 16.274 -2.856 -0.968 1.00 0.00 ? 9 GLU B O 25 ATOM 34886 C CB . GLU B 1 9 ? 18.837 -4.176 0.031 1.00 0.00 ? 9 GLU B CB 25 ATOM 34887 C CG . GLU B 1 9 ? 19.358 -5.539 0.458 1.00 0.00 ? 9 GLU B CG 25 ATOM 34888 C CD . GLU B 1 9 ? 20.516 -6.013 -0.399 1.00 0.00 ? 9 GLU B CD 25 ATOM 34889 O OE1 . GLU B 1 9 ? 21.540 -5.300 -0.460 1.00 0.00 ? 9 GLU B OE1 25 ATOM 34890 O OE2 . GLU B 1 9 ? 20.399 -7.098 -1.007 1.00 0.00 ? 9 GLU B OE2 25 ATOM 34891 H H . GLU B 1 9 ? 20.255 -3.968 -2.079 1.00 0.00 ? 9 GLU B H 25 ATOM 34892 H HA . GLU B 1 9 ? 17.672 -5.052 -1.538 1.00 0.00 ? 9 GLU B HA 25 ATOM 34893 H HB2 . GLU B 1 9 ? 19.652 -3.470 0.084 1.00 0.00 ? 9 GLU B HB2 25 ATOM 34894 H HB3 . GLU B 1 9 ? 18.067 -3.875 0.727 1.00 0.00 ? 9 GLU B HB3 25 ATOM 34895 H HG2 . GLU B 1 9 ? 19.690 -5.479 1.483 1.00 0.00 ? 9 GLU B HG2 25 ATOM 34896 H HG3 . GLU B 1 9 ? 18.555 -6.257 0.381 1.00 0.00 ? 9 GLU B HG3 25 ATOM 34897 N N . ILE B 1 10 ? 17.793 -1.993 -2.393 1.00 0.00 ? 10 ILE B N 25 ATOM 34898 C CA . ILE B 1 10 ? 17.038 -0.780 -2.664 1.00 0.00 ? 10 ILE B CA 25 ATOM 34899 C C . ILE B 1 10 ? 16.111 -0.996 -3.860 1.00 0.00 ? 10 ILE B C 25 ATOM 34900 O O . ILE B 1 10 ? 15.065 -0.360 -3.970 1.00 0.00 ? 10 ILE B O 25 ATOM 34901 C CB . ILE B 1 10 ? 18.011 0.409 -2.915 1.00 0.00 ? 10 ILE B CB 25 ATOM 34902 C CG1 . ILE B 1 10 ? 18.571 0.912 -1.583 1.00 0.00 ? 10 ILE B CG1 25 ATOM 34903 C CG2 . ILE B 1 10 ? 17.353 1.558 -3.672 1.00 0.00 ? 10 ILE B CG2 25 ATOM 34904 C CD1 . ILE B 1 10 ? 19.737 1.864 -1.739 1.00 0.00 ? 10 ILE B CD1 25 ATOM 34905 H H . ILE B 1 10 ? 18.648 -2.117 -2.842 1.00 0.00 ? 10 ILE B H 25 ATOM 34906 H HA . ILE B 1 10 ? 16.440 -0.557 -1.792 1.00 0.00 ? 10 ILE B HA 25 ATOM 34907 H HB . ILE B 1 10 ? 18.830 0.046 -3.516 1.00 0.00 ? 10 ILE B HB 25 ATOM 34908 H HG12 . ILE B 1 10 ? 17.792 1.430 -1.044 1.00 0.00 ? 10 ILE B HG12 25 ATOM 34909 H HG13 . ILE B 1 10 ? 18.905 0.067 -0.999 1.00 0.00 ? 10 ILE B HG13 25 ATOM 34910 H HG21 . ILE B 1 10 ? 16.283 1.423 -3.680 1.00 0.00 ? 10 ILE B HG21 25 ATOM 34911 H HG22 . ILE B 1 10 ? 17.597 2.492 -3.189 1.00 0.00 ? 10 ILE B HG22 25 ATOM 34912 H HG23 . ILE B 1 10 ? 17.723 1.572 -4.687 1.00 0.00 ? 10 ILE B HG23 25 ATOM 34913 H HD11 . ILE B 1 10 ? 20.520 1.383 -2.308 1.00 0.00 ? 10 ILE B HD11 25 ATOM 34914 H HD12 . ILE B 1 10 ? 19.409 2.753 -2.257 1.00 0.00 ? 10 ILE B HD12 25 ATOM 34915 H HD13 . ILE B 1 10 ? 20.114 2.133 -0.763 1.00 0.00 ? 10 ILE B HD13 25 ATOM 34916 N N . SER B 1 11 ? 16.495 -1.911 -4.741 1.00 0.00 ? 11 SER B N 25 ATOM 34917 C CA . SER B 1 11 ? 15.686 -2.220 -5.909 1.00 0.00 ? 11 SER B CA 25 ATOM 34918 C C . SER B 1 11 ? 14.571 -3.180 -5.526 1.00 0.00 ? 11 SER B C 25 ATOM 34919 O O . SER B 1 11 ? 13.492 -3.170 -6.121 1.00 0.00 ? 11 SER B O 25 ATOM 34920 C CB . SER B 1 11 ? 16.552 -2.827 -7.014 1.00 0.00 ? 11 SER B CB 25 ATOM 34921 O OG . SER B 1 11 ? 16.894 -1.855 -7.987 1.00 0.00 ? 11 SER B OG 25 ATOM 34922 H H . SER B 1 11 ? 17.332 -2.397 -4.594 1.00 0.00 ? 11 SER B H 25 ATOM 34923 H HA . SER B 1 11 ? 15.248 -1.299 -6.264 1.00 0.00 ? 11 SER B HA 25 ATOM 34924 H HB2 . SER B 1 11 ? 17.459 -3.222 -6.584 1.00 0.00 ? 11 SER B HB2 25 ATOM 34925 H HB3 . SER B 1 11 ? 16.007 -3.625 -7.497 1.00 0.00 ? 11 SER B HB3 25 ATOM 34926 H HG . SER B 1 11 ? 16.511 -2.100 -8.834 1.00 0.00 ? 11 SER B HG 25 ATOM 34927 N N . HIS B 1 12 ? 14.836 -4.004 -4.517 1.00 0.00 ? 12 HIS B N 25 ATOM 34928 C CA . HIS B 1 12 ? 13.855 -4.963 -4.040 1.00 0.00 ? 12 HIS B CA 25 ATOM 34929 C C . HIS B 1 12 ? 12.831 -4.258 -3.145 1.00 0.00 ? 12 HIS B C 25 ATOM 34930 O O . HIS B 1 12 ? 11.623 -4.412 -3.337 1.00 0.00 ? 12 HIS B O 25 ATOM 34931 C CB . HIS B 1 12 ? 14.578 -6.129 -3.330 1.00 0.00 ? 12 HIS B CB 25 ATOM 34932 C CG . HIS B 1 12 ? 13.943 -6.618 -2.061 1.00 0.00 ? 12 HIS B CG 25 ATOM 34933 N ND1 . HIS B 1 12 ? 12.936 -7.561 -2.030 1.00 0.00 ? 12 HIS B ND1 25 ATOM 34934 C CD2 . HIS B 1 12 ? 14.188 -6.288 -0.776 1.00 0.00 ? 12 HIS B CD2 25 ATOM 34935 C CE1 . HIS B 1 12 ? 12.591 -7.789 -0.775 1.00 0.00 ? 12 HIS B CE1 25 ATOM 34936 N NE2 . HIS B 1 12 ? 13.337 -7.030 0.005 1.00 0.00 ? 12 HIS B NE2 25 ATOM 34937 H H . HIS B 1 12 ? 15.711 -3.958 -4.074 1.00 0.00 ? 12 HIS B H 25 ATOM 34938 H HA . HIS B 1 12 ? 13.337 -5.350 -4.907 1.00 0.00 ? 12 HIS B HA 25 ATOM 34939 H HB2 . HIS B 1 12 ? 14.628 -6.968 -4.006 1.00 0.00 ? 12 HIS B HB2 25 ATOM 34940 H HB3 . HIS B 1 12 ? 15.585 -5.815 -3.092 1.00 0.00 ? 12 HIS B HB3 25 ATOM 34941 H HD1 . HIS B 1 12 ? 12.535 -7.996 -2.810 1.00 0.00 ? 12 HIS B HD1 25 ATOM 34942 H HD2 . HIS B 1 12 ? 14.918 -5.570 -0.431 1.00 0.00 ? 12 HIS B HD2 25 ATOM 34943 H HE1 . HIS B 1 12 ? 11.830 -8.481 -0.444 1.00 0.00 ? 12 HIS B HE1 25 ATOM 34944 H HE2 . HIS B 1 12 ? 13.289 -7.003 0.984 1.00 0.00 ? 12 HIS B HE2 25 ATOM 34945 N N . HIS B 1 13 ? 13.309 -3.462 -2.187 1.00 0.00 ? 13 HIS B N 25 ATOM 34946 C CA . HIS B 1 13 ? 12.401 -2.732 -1.310 1.00 0.00 ? 13 HIS B CA 25 ATOM 34947 C C . HIS B 1 13 ? 11.664 -1.661 -2.102 1.00 0.00 ? 13 HIS B C 25 ATOM 34948 O O . HIS B 1 13 ? 10.558 -1.266 -1.743 1.00 0.00 ? 13 HIS B O 25 ATOM 34949 C CB . HIS B 1 13 ? 13.145 -2.067 -0.154 1.00 0.00 ? 13 HIS B CB 25 ATOM 34950 C CG . HIS B 1 13 ? 13.898 -3.006 0.726 1.00 0.00 ? 13 HIS B CG 25 ATOM 34951 N ND1 . HIS B 1 13 ? 13.484 -4.291 1.004 1.00 0.00 ? 13 HIS B ND1 25 ATOM 34952 C CD2 . HIS B 1 13 ? 15.045 -2.823 1.410 1.00 0.00 ? 13 HIS B CD2 25 ATOM 34953 C CE1 . HIS B 1 13 ? 14.351 -4.860 1.824 1.00 0.00 ? 13 HIS B CE1 25 ATOM 34954 N NE2 . HIS B 1 13 ? 15.309 -3.989 2.084 1.00 0.00 ? 13 HIS B NE2 25 ATOM 34955 H H . HIS B 1 13 ? 14.280 -3.351 -2.082 1.00 0.00 ? 13 HIS B H 25 ATOM 34956 H HA . HIS B 1 13 ? 11.682 -3.434 -0.913 1.00 0.00 ? 13 HIS B HA 25 ATOM 34957 H HB2 . HIS B 1 13 ? 13.849 -1.357 -0.554 1.00 0.00 ? 13 HIS B HB2 25 ATOM 34958 H HB3 . HIS B 1 13 ? 12.428 -1.544 0.462 1.00 0.00 ? 13 HIS B HB3 25 ATOM 34959 H HD1 . HIS B 1 13 ? 12.677 -4.722 0.653 1.00 0.00 ? 13 HIS B HD1 25 ATOM 34960 H HD2 . HIS B 1 13 ? 15.637 -1.919 1.426 1.00 0.00 ? 13 HIS B HD2 25 ATOM 34961 H HE1 . HIS B 1 13 ? 14.287 -5.866 2.214 1.00 0.00 ? 13 HIS B HE1 25 ATOM 34962 H HE2 . HIS B 1 13 ? 16.080 -4.152 2.666 1.00 0.00 ? 13 HIS B HE2 25 ATOM 34963 N N . ALA B 1 14 ? 12.291 -1.192 -3.179 1.00 0.00 ? 14 ALA B N 25 ATOM 34964 C CA . ALA B 1 14 ? 11.693 -0.165 -4.019 1.00 0.00 ? 14 ALA B CA 25 ATOM 34965 C C . ALA B 1 14 ? 10.479 -0.717 -4.746 1.00 0.00 ? 14 ALA B C 25 ATOM 34966 O O . ALA B 1 14 ? 9.422 -0.086 -4.785 1.00 0.00 ? 14 ALA B O 25 ATOM 34967 C CB . ALA B 1 14 ? 12.712 0.369 -5.014 1.00 0.00 ? 14 ALA B CB 25 ATOM 34968 H H . ALA B 1 14 ? 13.176 -1.544 -3.412 1.00 0.00 ? 14 ALA B H 25 ATOM 34969 H HA . ALA B 1 14 ? 11.380 0.650 -3.382 1.00 0.00 ? 14 ALA B HA 25 ATOM 34970 H HB1 . ALA B 1 14 ? 13.321 -0.445 -5.378 1.00 0.00 ? 14 ALA B HB1 25 ATOM 34971 H HB2 . ALA B 1 14 ? 13.341 1.100 -4.527 1.00 0.00 ? 14 ALA B HB2 25 ATOM 34972 H HB3 . ALA B 1 14 ? 12.199 0.833 -5.843 1.00 0.00 ? 14 ALA B HB3 25 ATOM 34973 N N . LYS B 1 15 ? 10.631 -1.909 -5.311 1.00 0.00 ? 15 LYS B N 25 ATOM 34974 C CA . LYS B 1 15 ? 9.540 -2.556 -6.022 1.00 0.00 ? 15 LYS B CA 25 ATOM 34975 C C . LYS B 1 15 ? 8.472 -3.035 -5.042 1.00 0.00 ? 15 LYS B C 25 ATOM 34976 O O . LYS B 1 15 ? 7.327 -3.268 -5.428 1.00 0.00 ? 15 LYS B O 25 ATOM 34977 C CB . LYS B 1 15 ? 10.064 -3.736 -6.843 1.00 0.00 ? 15 LYS B CB 25 ATOM 34978 C CG . LYS B 1 15 ? 9.024 -4.341 -7.770 1.00 0.00 ? 15 LYS B CG 25 ATOM 34979 C CD . LYS B 1 15 ? 9.580 -4.557 -9.168 1.00 0.00 ? 15 LYS B CD 25 ATOM 34980 C CE . LYS B 1 15 ? 8.513 -5.077 -10.118 1.00 0.00 ? 15 LYS B CE 25 ATOM 34981 N NZ . LYS B 1 15 ? 7.203 -4.406 -9.901 1.00 0.00 ? 15 LYS B NZ 25 ATOM 34982 H H . LYS B 1 15 ? 11.495 -2.369 -5.238 1.00 0.00 ? 15 LYS B H 25 ATOM 34983 H HA . LYS B 1 15 ? 9.102 -1.830 -6.690 1.00 0.00 ? 15 LYS B HA 25 ATOM 34984 H HB2 . LYS B 1 15 ? 10.898 -3.400 -7.443 1.00 0.00 ? 15 LYS B HB2 25 ATOM 34985 H HB3 . LYS B 1 15 ? 10.406 -4.506 -6.168 1.00 0.00 ? 15 LYS B HB3 25 ATOM 34986 H HG2 . LYS B 1 15 ? 8.708 -5.293 -7.369 1.00 0.00 ? 15 LYS B HG2 25 ATOM 34987 H HG3 . LYS B 1 15 ? 8.176 -3.675 -7.828 1.00 0.00 ? 15 LYS B HG3 25 ATOM 34988 H HD2 . LYS B 1 15 ? 9.957 -3.619 -9.544 1.00 0.00 ? 15 LYS B HD2 25 ATOM 34989 H HD3 . LYS B 1 15 ? 10.386 -5.276 -9.117 1.00 0.00 ? 15 LYS B HD3 25 ATOM 34990 H HE2 . LYS B 1 15 ? 8.835 -4.899 -11.133 1.00 0.00 ? 15 LYS B HE2 25 ATOM 34991 H HE3 . LYS B 1 15 ? 8.396 -6.140 -9.960 1.00 0.00 ? 15 LYS B HE3 25 ATOM 34992 H HZ1 . LYS B 1 15 ? 7.349 -3.407 -9.651 1.00 0.00 ? 15 LYS B HZ1 25 ATOM 34993 H HZ2 . LYS B 1 15 ? 6.628 -4.456 -10.766 1.00 0.00 ? 15 LYS B HZ2 25 ATOM 34994 H HZ3 . LYS B 1 15 ? 6.686 -4.872 -9.127 1.00 0.00 ? 15 LYS B HZ3 25 ATOM 34995 N N . GLU B 1 16 ? 8.852 -3.182 -3.773 1.00 0.00 ? 16 GLU B N 25 ATOM 34996 C CA . GLU B 1 16 ? 7.922 -3.636 -2.746 1.00 0.00 ? 16 GLU B CA 25 ATOM 34997 C C . GLU B 1 16 ? 7.031 -2.498 -2.254 1.00 0.00 ? 16 GLU B C 25 ATOM 34998 O O . GLU B 1 16 ? 5.859 -2.711 -1.950 1.00 0.00 ? 16 GLU B O 25 ATOM 34999 C CB . GLU B 1 16 ? 8.688 -4.244 -1.569 1.00 0.00 ? 16 GLU B CB 25 ATOM 35000 C CG . GLU B 1 16 ? 8.472 -5.740 -1.412 1.00 0.00 ? 16 GLU B CG 25 ATOM 35001 C CD . GLU B 1 16 ? 9.769 -6.499 -1.221 1.00 0.00 ? 16 GLU B CD 25 ATOM 35002 O OE1 . GLU B 1 16 ? 10.816 -6.015 -1.699 1.00 0.00 ? 16 GLU B OE1 25 ATOM 35003 O OE2 . GLU B 1 16 ? 9.738 -7.579 -0.593 1.00 0.00 ? 16 GLU B OE2 25 ATOM 35004 H H . GLU B 1 16 ? 9.780 -2.987 -3.523 1.00 0.00 ? 16 GLU B H 25 ATOM 35005 H HA . GLU B 1 16 ? 7.297 -4.398 -3.185 1.00 0.00 ? 16 GLU B HA 25 ATOM 35006 H HB2 . GLU B 1 16 ? 9.744 -4.068 -1.713 1.00 0.00 ? 16 GLU B HB2 25 ATOM 35007 H HB3 . GLU B 1 16 ? 8.371 -3.759 -0.658 1.00 0.00 ? 16 GLU B HB3 25 ATOM 35008 H HG2 . GLU B 1 16 ? 7.842 -5.911 -0.552 1.00 0.00 ? 16 GLU B HG2 25 ATOM 35009 H HG3 . GLU B 1 16 ? 7.978 -6.115 -2.297 1.00 0.00 ? 16 GLU B HG3 25 ATOM 35010 N N . ILE B 1 17 ? 7.584 -1.290 -2.176 1.00 0.00 ? 17 ILE B N 25 ATOM 35011 C CA . ILE B 1 17 ? 6.815 -0.137 -1.721 1.00 0.00 ? 17 ILE B CA 25 ATOM 35012 C C . ILE B 1 17 ? 5.943 0.403 -2.849 1.00 0.00 ? 17 ILE B C 25 ATOM 35013 O O . ILE B 1 17 ? 4.837 0.894 -2.613 1.00 0.00 ? 17 ILE B O 25 ATOM 35014 C CB . ILE B 1 17 ? 7.741 0.980 -1.189 1.00 0.00 ? 17 ILE B CB 25 ATOM 35015 C CG1 . ILE B 1 17 ? 6.926 2.226 -0.795 1.00 0.00 ? 17 ILE B CG1 25 ATOM 35016 C CG2 . ILE B 1 17 ? 8.823 1.316 -2.208 1.00 0.00 ? 17 ILE B CG2 25 ATOM 35017 C CD1 . ILE B 1 17 ? 6.657 3.202 -1.928 1.00 0.00 ? 17 ILE B CD1 25 ATOM 35018 H H . ILE B 1 17 ? 8.524 -1.169 -2.433 1.00 0.00 ? 17 ILE B H 25 ATOM 35019 H HA . ILE B 1 17 ? 6.171 -0.461 -0.911 1.00 0.00 ? 17 ILE B HA 25 ATOM 35020 H HB . ILE B 1 17 ? 8.235 0.600 -0.306 1.00 0.00 ? 17 ILE B HB 25 ATOM 35021 H HG12 . ILE B 1 17 ? 5.972 1.907 -0.408 1.00 0.00 ? 17 ILE B HG12 25 ATOM 35022 H HG13 . ILE B 1 17 ? 7.458 2.760 -0.020 1.00 0.00 ? 17 ILE B HG13 25 ATOM 35023 H HG21 . ILE B 1 17 ? 8.466 1.088 -3.201 1.00 0.00 ? 17 ILE B HG21 25 ATOM 35024 H HG22 . ILE B 1 17 ? 9.064 2.366 -2.144 1.00 0.00 ? 17 ILE B HG22 25 ATOM 35025 H HG23 . ILE B 1 17 ? 9.707 0.731 -1.999 1.00 0.00 ? 17 ILE B HG23 25 ATOM 35026 H HD11 . ILE B 1 17 ? 7.559 3.355 -2.499 1.00 0.00 ? 17 ILE B HD11 25 ATOM 35027 H HD12 . ILE B 1 17 ? 5.886 2.807 -2.571 1.00 0.00 ? 17 ILE B HD12 25 ATOM 35028 H HD13 . ILE B 1 17 ? 6.330 4.146 -1.516 1.00 0.00 ? 17 ILE B HD13 25 ATOM 35029 N N . GLU B 1 18 ? 6.440 0.295 -4.076 1.00 0.00 ? 18 GLU B N 25 ATOM 35030 C CA . GLU B 1 18 ? 5.700 0.760 -5.241 1.00 0.00 ? 18 GLU B CA 25 ATOM 35031 C C . GLU B 1 18 ? 4.654 -0.269 -5.655 1.00 0.00 ? 18 GLU B C 25 ATOM 35032 O O . GLU B 1 18 ? 3.597 0.082 -6.181 1.00 0.00 ? 18 GLU B O 25 ATOM 35033 C CB . GLU B 1 18 ? 6.655 1.033 -6.405 1.00 0.00 ? 18 GLU B CB 25 ATOM 35034 C CG . GLU B 1 18 ? 6.902 2.512 -6.654 1.00 0.00 ? 18 GLU B CG 25 ATOM 35035 C CD . GLU B 1 18 ? 5.990 3.084 -7.720 1.00 0.00 ? 18 GLU B CD 25 ATOM 35036 O OE1 . GLU B 1 18 ? 5.636 2.342 -8.660 1.00 0.00 ? 18 GLU B OE1 25 ATOM 35037 O OE2 . GLU B 1 18 ? 5.629 4.275 -7.616 1.00 0.00 ? 18 GLU B OE2 25 ATOM 35038 H H . GLU B 1 18 ? 7.320 -0.117 -4.202 1.00 0.00 ? 18 GLU B H 25 ATOM 35039 H HA . GLU B 1 18 ? 5.200 1.679 -4.973 1.00 0.00 ? 18 GLU B HA 25 ATOM 35040 H HB2 . GLU B 1 18 ? 7.604 0.561 -6.195 1.00 0.00 ? 18 GLU B HB2 25 ATOM 35041 H HB3 . GLU B 1 18 ? 6.240 0.604 -7.304 1.00 0.00 ? 18 GLU B HB3 25 ATOM 35042 H HG2 . GLU B 1 18 ? 6.737 3.052 -5.733 1.00 0.00 ? 18 GLU B HG2 25 ATOM 35043 H HG3 . GLU B 1 18 ? 7.928 2.644 -6.968 1.00 0.00 ? 18 GLU B HG3 25 ATOM 35044 N N . ARG B 1 19 ? 4.954 -1.541 -5.410 1.00 0.00 ? 19 ARG B N 25 ATOM 35045 C CA . ARG B 1 19 ? 4.035 -2.619 -5.753 1.00 0.00 ? 19 ARG B CA 25 ATOM 35046 C C . ARG B 1 19 ? 2.899 -2.699 -4.744 1.00 0.00 ? 19 ARG B C 25 ATOM 35047 O O . ARG B 1 19 ? 1.748 -2.935 -5.109 1.00 0.00 ? 19 ARG B O 25 ATOM 35048 C CB . ARG B 1 19 ? 4.776 -3.956 -5.815 1.00 0.00 ? 19 ARG B CB 25 ATOM 35049 C CG . ARG B 1 19 ? 3.860 -5.151 -6.016 1.00 0.00 ? 19 ARG B CG 25 ATOM 35050 C CD . ARG B 1 19 ? 3.785 -6.012 -4.764 1.00 0.00 ? 19 ARG B CD 25 ATOM 35051 N NE . ARG B 1 19 ? 3.727 -7.436 -5.081 1.00 0.00 ? 19 ARG B NE 25 ATOM 35052 C CZ . ARG B 1 19 ? 4.707 -8.094 -5.693 1.00 0.00 ? 19 ARG B CZ 25 ATOM 35053 N NH1 . ARG B 1 19 ? 5.813 -7.457 -6.051 1.00 0.00 ? 19 ARG B NH1 25 ATOM 35054 N NH2 . ARG B 1 19 ? 4.580 -9.389 -5.947 1.00 0.00 ? 19 ARG B NH2 25 ATOM 35055 H H . ARG B 1 19 ? 5.810 -1.758 -4.984 1.00 0.00 ? 19 ARG B H 25 ATOM 35056 H HA . ARG B 1 19 ? 3.620 -2.401 -6.726 1.00 0.00 ? 19 ARG B HA 25 ATOM 35057 H HB2 . ARG B 1 19 ? 5.480 -3.927 -6.634 1.00 0.00 ? 19 ARG B HB2 25 ATOM 35058 H HB3 . ARG B 1 19 ? 5.319 -4.096 -4.891 1.00 0.00 ? 19 ARG B HB3 25 ATOM 35059 H HG2 . ARG B 1 19 ? 2.869 -4.797 -6.256 1.00 0.00 ? 19 ARG B HG2 25 ATOM 35060 H HG3 . ARG B 1 19 ? 4.239 -5.750 -6.831 1.00 0.00 ? 19 ARG B HG3 25 ATOM 35061 H HD2 . ARG B 1 19 ? 4.659 -5.822 -4.159 1.00 0.00 ? 19 ARG B HD2 25 ATOM 35062 H HD3 . ARG B 1 19 ? 2.898 -5.740 -4.210 1.00 0.00 ? 19 ARG B HD3 25 ATOM 35063 H HE . ARG B 1 19 ? 2.918 -7.926 -4.825 1.00 0.00 ? 19 ARG B HE 25 ATOM 35064 H HH11 . ARG B 1 19 ? 5.912 -6.480 -5.861 1.00 0.00 ? 19 ARG B HH11 25 ATOM 35065 H HH12 . ARG B 1 19 ? 6.549 -7.953 -6.512 1.00 0.00 ? 19 ARG B HH12 25 ATOM 35066 H HH21 . ARG B 1 19 ? 3.747 -9.872 -5.678 1.00 0.00 ? 19 ARG B HH21 25 ATOM 35067 H HH22 . ARG B 1 19 ? 5.318 -9.882 -6.408 1.00 0.00 ? 19 ARG B HH22 25 ATOM 35068 N N . LEU B 1 20 ? 3.221 -2.486 -3.473 1.00 0.00 ? 20 LEU B N 25 ATOM 35069 C CA . LEU B 1 20 ? 2.209 -2.524 -2.432 1.00 0.00 ? 20 LEU B CA 25 ATOM 35070 C C . LEU B 1 20 ? 1.316 -1.297 -2.538 1.00 0.00 ? 20 LEU B C 25 ATOM 35071 O O . LEU B 1 20 ? 0.122 -1.357 -2.252 1.00 0.00 ? 20 LEU B O 25 ATOM 35072 C CB . LEU B 1 20 ? 2.858 -2.591 -1.049 1.00 0.00 ? 20 LEU B CB 25 ATOM 35073 C CG . LEU B 1 20 ? 3.687 -3.848 -0.781 1.00 0.00 ? 20 LEU B CG 25 ATOM 35074 C CD1 . LEU B 1 20 ? 4.719 -3.585 0.304 1.00 0.00 ? 20 LEU B CD1 25 ATOM 35075 C CD2 . LEU B 1 20 ? 2.783 -5.007 -0.390 1.00 0.00 ? 20 LEU B CD2 25 ATOM 35076 H H . LEU B 1 20 ? 4.153 -2.288 -3.232 1.00 0.00 ? 20 LEU B H 25 ATOM 35077 H HA . LEU B 1 20 ? 1.608 -3.409 -2.585 1.00 0.00 ? 20 LEU B HA 25 ATOM 35078 H HB2 . LEU B 1 20 ? 3.499 -1.729 -0.932 1.00 0.00 ? 20 LEU B HB2 25 ATOM 35079 H HB3 . LEU B 1 20 ? 2.076 -2.542 -0.308 1.00 0.00 ? 20 LEU B HB3 25 ATOM 35080 H HG . LEU B 1 20 ? 4.214 -4.123 -1.683 1.00 0.00 ? 20 LEU B HG 25 ATOM 35081 H HD11 . LEU B 1 20 ? 4.890 -2.522 0.389 1.00 0.00 ? 20 LEU B HD11 25 ATOM 35082 H HD12 . LEU B 1 20 ? 4.356 -3.967 1.247 1.00 0.00 ? 20 LEU B HD12 25 ATOM 35083 H HD13 . LEU B 1 20 ? 5.646 -4.080 0.049 1.00 0.00 ? 20 LEU B HD13 25 ATOM 35084 H HD21 . LEU B 1 20 ? 1.855 -4.940 -0.936 1.00 0.00 ? 20 LEU B HD21 25 ATOM 35085 H HD22 . LEU B 1 20 ? 3.272 -5.941 -0.625 1.00 0.00 ? 20 LEU B HD22 25 ATOM 35086 H HD23 . LEU B 1 20 ? 2.581 -4.964 0.670 1.00 0.00 ? 20 LEU B HD23 25 ATOM 35087 N N . GLN B 1 21 ? 1.908 -0.184 -2.965 1.00 0.00 ? 21 GLN B N 25 ATOM 35088 C CA . GLN B 1 21 ? 1.172 1.062 -3.122 1.00 0.00 ? 21 GLN B CA 25 ATOM 35089 C C . GLN B 1 21 ? 0.105 0.929 -4.203 1.00 0.00 ? 21 GLN B C 25 ATOM 35090 O O . GLN B 1 21 ? -1.038 1.341 -4.012 1.00 0.00 ? 21 GLN B O 25 ATOM 35091 C CB . GLN B 1 21 ? 2.129 2.204 -3.470 1.00 0.00 ? 21 GLN B CB 25 ATOM 35092 C CG . GLN B 1 21 ? 2.590 3.001 -2.261 1.00 0.00 ? 21 GLN B CG 25 ATOM 35093 C CD . GLN B 1 21 ? 2.336 4.488 -2.413 1.00 0.00 ? 21 GLN B CD 25 ATOM 35094 O OE1 . GLN B 1 21 ? 1.894 5.153 -1.476 1.00 0.00 ? 21 GLN B OE1 25 ATOM 35095 N NE2 . GLN B 1 21 ? 2.617 5.019 -3.597 1.00 0.00 ? 21 GLN B NE2 25 ATOM 35096 H H . GLN B 1 21 ? 2.865 -0.205 -3.184 1.00 0.00 ? 21 GLN B H 25 ATOM 35097 H HA . GLN B 1 21 ? 0.688 1.282 -2.182 1.00 0.00 ? 21 GLN B HA 25 ATOM 35098 H HB2 . GLN B 1 21 ? 3.001 1.792 -3.957 1.00 0.00 ? 21 GLN B HB2 25 ATOM 35099 H HB3 . GLN B 1 21 ? 1.633 2.879 -4.152 1.00 0.00 ? 21 GLN B HB3 25 ATOM 35100 H HG2 . GLN B 1 21 ? 2.058 2.649 -1.389 1.00 0.00 ? 21 GLN B HG2 25 ATOM 35101 H HG3 . GLN B 1 21 ? 3.650 2.843 -2.124 1.00 0.00 ? 21 GLN B HG3 25 ATOM 35102 H HE21 . GLN B 1 21 ? 2.966 4.428 -4.298 1.00 0.00 ? 21 GLN B HE21 25 ATOM 35103 H HE22 . GLN B 1 21 ? 2.463 5.978 -3.724 1.00 0.00 ? 21 GLN B HE22 25 ATOM 35104 N N . LYS B 1 22 ? 0.481 0.349 -5.340 1.00 0.00 ? 22 LYS B N 25 ATOM 35105 C CA . LYS B 1 22 ? -0.458 0.166 -6.441 1.00 0.00 ? 22 LYS B CA 25 ATOM 35106 C C . LYS B 1 22 ? -1.617 -0.728 -6.010 1.00 0.00 ? 22 LYS B C 25 ATOM 35107 O O . LYS B 1 22 ? -2.774 -0.470 -6.347 1.00 0.00 ? 22 LYS B O 25 ATOM 35108 C CB . LYS B 1 22 ? 0.248 -0.436 -7.658 1.00 0.00 ? 22 LYS B CB 25 ATOM 35109 C CG . LYS B 1 22 ? 0.959 -1.747 -7.367 1.00 0.00 ? 22 LYS B CG 25 ATOM 35110 C CD . LYS B 1 22 ? 1.352 -2.464 -8.648 1.00 0.00 ? 22 LYS B CD 25 ATOM 35111 C CE . LYS B 1 22 ? 0.847 -3.898 -8.659 1.00 0.00 ? 22 LYS B CE 25 ATOM 35112 N NZ . LYS B 1 22 ? 1.594 -4.742 -9.632 1.00 0.00 ? 22 LYS B NZ 25 ATOM 35113 H H . LYS B 1 22 ? 1.407 0.036 -5.440 1.00 0.00 ? 22 LYS B H 25 ATOM 35114 H HA . LYS B 1 22 ? -0.849 1.137 -6.706 1.00 0.00 ? 22 LYS B HA 25 ATOM 35115 H HB2 . LYS B 1 22 ? -0.483 -0.614 -8.433 1.00 0.00 ? 22 LYS B HB2 25 ATOM 35116 H HB3 . LYS B 1 22 ? 0.979 0.272 -8.021 1.00 0.00 ? 22 LYS B HB3 25 ATOM 35117 H HG2 . LYS B 1 22 ? 1.851 -1.541 -6.794 1.00 0.00 ? 22 LYS B HG2 25 ATOM 35118 H HG3 . LYS B 1 22 ? 0.300 -2.384 -6.795 1.00 0.00 ? 22 LYS B HG3 25 ATOM 35119 H HD2 . LYS B 1 22 ? 0.928 -1.937 -9.489 1.00 0.00 ? 22 LYS B HD2 25 ATOM 35120 H HD3 . LYS B 1 22 ? 2.429 -2.470 -8.729 1.00 0.00 ? 22 LYS B HD3 25 ATOM 35121 H HE2 . LYS B 1 22 ? 0.965 -4.316 -7.671 1.00 0.00 ? 22 LYS B HE2 25 ATOM 35122 H HE3 . LYS B 1 22 ? -0.200 -3.895 -8.926 1.00 0.00 ? 22 LYS B HE3 25 ATOM 35123 H HZ1 . LYS B 1 22 ? 2.612 -4.717 -9.420 1.00 0.00 ? 22 LYS B HZ1 25 ATOM 35124 H HZ2 . LYS B 1 22 ? 1.264 -5.727 -9.579 1.00 0.00 ? 22 LYS B HZ2 25 ATOM 35125 H HZ3 . LYS B 1 22 ? 1.443 -4.390 -10.600 1.00 0.00 ? 22 LYS B HZ3 25 ATOM 35126 N N . GLU B 1 23 ? -1.298 -1.777 -5.258 1.00 0.00 ? 23 GLU B N 25 ATOM 35127 C CA . GLU B 1 23 ? -2.314 -2.705 -4.775 1.00 0.00 ? 23 GLU B CA 25 ATOM 35128 C C . GLU B 1 23 ? -3.344 -1.980 -3.915 1.00 0.00 ? 23 GLU B C 25 ATOM 35129 O O . GLU B 1 23 ? -4.550 -2.208 -4.043 1.00 0.00 ? 23 GLU B O 25 ATOM 35130 C CB . GLU B 1 23 ? -1.665 -3.834 -3.974 1.00 0.00 ? 23 GLU B CB 25 ATOM 35131 C CG . GLU B 1 23 ? -1.676 -5.174 -4.690 1.00 0.00 ? 23 GLU B CG 25 ATOM 35132 C CD . GLU B 1 23 ? -2.289 -6.279 -3.851 1.00 0.00 ? 23 GLU B CD 25 ATOM 35133 O OE1 . GLU B 1 23 ? -3.533 -6.350 -3.781 1.00 0.00 ? 23 GLU B OE1 25 ATOM 35134 O OE2 . GLU B 1 23 ? -1.523 -7.072 -3.264 1.00 0.00 ? 23 GLU B OE2 25 ATOM 35135 H H . GLU B 1 23 ? -0.359 -1.928 -5.018 1.00 0.00 ? 23 GLU B H 25 ATOM 35136 H HA . GLU B 1 23 ? -2.813 -3.126 -5.635 1.00 0.00 ? 23 GLU B HA 25 ATOM 35137 H HB2 . GLU B 1 23 ? -0.638 -3.570 -3.767 1.00 0.00 ? 23 GLU B HB2 25 ATOM 35138 H HB3 . GLU B 1 23 ? -2.193 -3.945 -3.038 1.00 0.00 ? 23 GLU B HB3 25 ATOM 35139 H HG2 . GLU B 1 23 ? -2.249 -5.077 -5.600 1.00 0.00 ? 23 GLU B HG2 25 ATOM 35140 H HG3 . GLU B 1 23 ? -0.660 -5.447 -4.933 1.00 0.00 ? 23 GLU B HG3 25 ATOM 35141 N N . ILE B 1 24 ? -2.867 -1.099 -3.038 1.00 0.00 ? 24 ILE B N 25 ATOM 35142 C CA . ILE B 1 24 ? -3.760 -0.346 -2.166 1.00 0.00 ? 24 ILE B CA 25 ATOM 35143 C C . ILE B 1 24 ? -4.667 0.557 -3.000 1.00 0.00 ? 24 ILE B C 25 ATOM 35144 O O . ILE B 1 24 ? -5.808 0.829 -2.626 1.00 0.00 ? 24 ILE B O 25 ATOM 35145 C CB . ILE B 1 24 ? -2.983 0.483 -1.096 1.00 0.00 ? 24 ILE B CB 25 ATOM 35146 C CG1 . ILE B 1 24 ? -2.635 1.896 -1.584 1.00 0.00 ? 24 ILE B CG1 25 ATOM 35147 C CG2 . ILE B 1 24 ? -1.716 -0.243 -0.671 1.00 0.00 ? 24 ILE B CG2 25 ATOM 35148 C CD1 . ILE B 1 24 ? -3.600 2.947 -1.083 1.00 0.00 ? 24 ILE B CD1 25 ATOM 35149 H H . ILE B 1 24 ? -1.899 -0.953 -2.983 1.00 0.00 ? 24 ILE B H 25 ATOM 35150 H HA . ILE B 1 24 ? -4.380 -1.064 -1.644 1.00 0.00 ? 24 ILE B HA 25 ATOM 35151 H HB . ILE B 1 24 ? -3.616 0.565 -0.224 1.00 0.00 ? 24 ILE B HB 25 ATOM 35152 H HG12 . ILE B 1 24 ? -1.646 2.158 -1.239 1.00 0.00 ? 24 ILE B HG12 25 ATOM 35153 H HG13 . ILE B 1 24 ? -2.654 1.914 -2.663 1.00 0.00 ? 24 ILE B HG13 25 ATOM 35154 H HG21 . ILE B 1 24 ? -1.719 -1.242 -1.075 1.00 0.00 ? 24 ILE B HG21 25 ATOM 35155 H HG22 . ILE B 1 24 ? -0.855 0.293 -1.040 1.00 0.00 ? 24 ILE B HG22 25 ATOM 35156 H HG23 . ILE B 1 24 ? -1.676 -0.290 0.403 1.00 0.00 ? 24 ILE B HG23 25 ATOM 35157 H HD11 . ILE B 1 24 ? -4.341 2.478 -0.451 1.00 0.00 ? 24 ILE B HD11 25 ATOM 35158 H HD12 . ILE B 1 24 ? -3.060 3.691 -0.516 1.00 0.00 ? 24 ILE B HD12 25 ATOM 35159 H HD13 . ILE B 1 24 ? -4.089 3.417 -1.923 1.00 0.00 ? 24 ILE B HD13 25 ATOM 35160 N N . GLU B 1 25 ? -4.144 1.009 -4.138 1.00 0.00 ? 25 GLU B N 25 ATOM 35161 C CA . GLU B 1 25 ? -4.898 1.872 -5.036 1.00 0.00 ? 25 GLU B CA 25 ATOM 35162 C C . GLU B 1 25 ? -6.131 1.143 -5.551 1.00 0.00 ? 25 GLU B C 25 ATOM 35163 O O . GLU B 1 25 ? -7.224 1.705 -5.595 1.00 0.00 ? 25 GLU B O 25 ATOM 35164 C CB . GLU B 1 25 ? -4.024 2.316 -6.211 1.00 0.00 ? 25 GLU B CB 25 ATOM 35165 C CG . GLU B 1 25 ? -4.664 3.391 -7.074 1.00 0.00 ? 25 GLU B CG 25 ATOM 35166 C CD . GLU B 1 25 ? -4.372 3.204 -8.549 1.00 0.00 ? 25 GLU B CD 25 ATOM 35167 O OE1 . GLU B 1 25 ? -3.183 3.249 -8.930 1.00 0.00 ? 25 GLU B OE1 25 ATOM 35168 O OE2 . GLU B 1 25 ? -5.332 3.014 -9.326 1.00 0.00 ? 25 GLU B OE2 25 ATOM 35169 H H . GLU B 1 25 ? -3.231 0.751 -4.380 1.00 0.00 ? 25 GLU B H 25 ATOM 35170 H HA . GLU B 1 25 ? -5.212 2.742 -4.479 1.00 0.00 ? 25 GLU B HA 25 ATOM 35171 H HB2 . GLU B 1 25 ? -3.091 2.701 -5.825 1.00 0.00 ? 25 GLU B HB2 25 ATOM 35172 H HB3 . GLU B 1 25 ? -3.818 1.459 -6.836 1.00 0.00 ? 25 GLU B HB3 25 ATOM 35173 H HG2 . GLU B 1 25 ? -5.734 3.362 -6.928 1.00 0.00 ? 25 GLU B HG2 25 ATOM 35174 H HG3 . GLU B 1 25 ? -4.285 4.355 -6.765 1.00 0.00 ? 25 GLU B HG3 25 ATOM 35175 N N . ARG B 1 26 ? -5.948 -0.119 -5.926 1.00 0.00 ? 26 ARG B N 25 ATOM 35176 C CA . ARG B 1 26 ? -7.049 -0.931 -6.423 1.00 0.00 ? 26 ARG B CA 25 ATOM 35177 C C . ARG B 1 26 ? -8.148 -1.022 -5.370 1.00 0.00 ? 26 ARG B C 25 ATOM 35178 O O . ARG B 1 26 ? -9.323 -0.777 -5.656 1.00 0.00 ? 26 ARG B O 25 ATOM 35179 C CB . ARG B 1 26 ? -6.557 -2.332 -6.790 1.00 0.00 ? 26 ARG B CB 25 ATOM 35180 C CG . ARG B 1 26 ? -7.589 -3.164 -7.535 1.00 0.00 ? 26 ARG B CG 25 ATOM 35181 C CD . ARG B 1 26 ? -7.876 -4.471 -6.814 1.00 0.00 ? 26 ARG B CD 25 ATOM 35182 N NE . ARG B 1 26 ? -7.010 -5.552 -7.274 1.00 0.00 ? 26 ARG B NE 25 ATOM 35183 C CZ . ARG B 1 26 ? -7.273 -6.840 -7.078 1.00 0.00 ? 26 ARG B CZ 25 ATOM 35184 N NH1 . ARG B 1 26 ? -8.373 -7.204 -6.436 1.00 0.00 ? 26 ARG B NH1 25 ATOM 35185 N NH2 . ARG B 1 26 ? -6.435 -7.766 -7.527 1.00 0.00 ? 26 ARG B NH2 25 ATOM 35186 H H . ARG B 1 26 ? -5.052 -0.514 -5.859 1.00 0.00 ? 26 ARG B H 25 ATOM 35187 H HA . ARG B 1 26 ? -7.447 -0.451 -7.304 1.00 0.00 ? 26 ARG B HA 25 ATOM 35188 H HB2 . ARG B 1 26 ? -5.681 -2.241 -7.415 1.00 0.00 ? 26 ARG B HB2 25 ATOM 35189 H HB3 . ARG B 1 26 ? -6.289 -2.856 -5.884 1.00 0.00 ? 26 ARG B HB3 25 ATOM 35190 H HG2 . ARG B 1 26 ? -8.505 -2.598 -7.613 1.00 0.00 ? 26 ARG B HG2 25 ATOM 35191 H HG3 . ARG B 1 26 ? -7.214 -3.383 -8.524 1.00 0.00 ? 26 ARG B HG3 25 ATOM 35192 H HD2 . ARG B 1 26 ? -7.721 -4.324 -5.755 1.00 0.00 ? 26 ARG B HD2 25 ATOM 35193 H HD3 . ARG B 1 26 ? -8.905 -4.746 -6.991 1.00 0.00 ? 26 ARG B HD3 25 ATOM 35194 H HE . ARG B 1 26 ? -6.190 -5.305 -7.753 1.00 0.00 ? 26 ARG B HE 25 ATOM 35195 H HH11 . ARG B 1 26 ? -9.008 -6.509 -6.097 1.00 0.00 ? 26 ARG B HH11 25 ATOM 35196 H HH12 . ARG B 1 26 ? -8.569 -8.173 -6.290 1.00 0.00 ? 26 ARG B HH12 25 ATOM 35197 H HH21 . ARG B 1 26 ? -5.603 -7.494 -8.013 1.00 0.00 ? 26 ARG B HH21 25 ATOM 35198 H HH22 . ARG B 1 26 ? -6.634 -8.734 -7.379 1.00 0.00 ? 26 ARG B HH22 25 ATOM 35199 N N . HIS B 1 27 ? -7.755 -1.362 -4.146 1.00 0.00 ? 27 HIS B N 25 ATOM 35200 C CA . HIS B 1 27 ? -8.706 -1.471 -3.049 1.00 0.00 ? 27 HIS B CA 25 ATOM 35201 C C . HIS B 1 27 ? -9.306 -0.106 -2.718 1.00 0.00 ? 27 HIS B C 25 ATOM 35202 O O . HIS B 1 27 ? -10.380 -0.021 -2.126 1.00 0.00 ? 27 HIS B O 25 ATOM 35203 C CB . HIS B 1 27 ? -8.029 -2.063 -1.812 1.00 0.00 ? 27 HIS B CB 25 ATOM 35204 C CG . HIS B 1 27 ? -8.104 -3.558 -1.752 1.00 0.00 ? 27 HIS B CG 25 ATOM 35205 N ND1 . HIS B 1 27 ? -9.273 -4.242 -1.485 1.00 0.00 ? 27 HIS B ND1 25 ATOM 35206 C CD2 . HIS B 1 27 ? -7.149 -4.502 -1.927 1.00 0.00 ? 27 HIS B CD2 25 ATOM 35207 C CE1 . HIS B 1 27 ? -9.033 -5.541 -1.499 1.00 0.00 ? 27 HIS B CE1 25 ATOM 35208 N NE2 . HIS B 1 27 ? -7.753 -5.725 -1.766 1.00 0.00 ? 27 HIS B NE2 25 ATOM 35209 H H . HIS B 1 27 ? -6.803 -1.536 -3.974 1.00 0.00 ? 27 HIS B H 25 ATOM 35210 H HA . HIS B 1 27 ? -9.500 -2.132 -3.364 1.00 0.00 ? 27 HIS B HA 25 ATOM 35211 H HB2 . HIS B 1 27 ? -6.987 -1.783 -1.813 1.00 0.00 ? 27 HIS B HB2 25 ATOM 35212 H HB3 . HIS B 1 27 ? -8.504 -1.668 -0.926 1.00 0.00 ? 27 HIS B HB3 25 ATOM 35213 H HD1 . HIS B 1 27 ? -10.147 -3.836 -1.310 1.00 0.00 ? 27 HIS B HD1 25 ATOM 35214 H HD2 . HIS B 1 27 ? -6.107 -4.326 -2.154 1.00 0.00 ? 27 HIS B HD2 25 ATOM 35215 H HE1 . HIS B 1 27 ? -9.759 -6.321 -1.323 1.00 0.00 ? 27 HIS B HE1 25 ATOM 35216 H HE2 . HIS B 1 27 ? -7.308 -6.595 -1.838 1.00 0.00 ? 27 HIS B HE2 25 ATOM 35217 N N . LYS B 1 28 ? -8.608 0.958 -3.113 1.00 0.00 ? 28 LYS B N 25 ATOM 35218 C CA . LYS B 1 28 ? -9.077 2.317 -2.864 1.00 0.00 ? 28 LYS B CA 25 ATOM 35219 C C . LYS B 1 28 ? -10.205 2.679 -3.826 1.00 0.00 ? 28 LYS B C 25 ATOM 35220 O O . LYS B 1 28 ? -11.119 3.425 -3.476 1.00 0.00 ? 28 LYS B O 25 ATOM 35221 C CB . LYS B 1 28 ? -7.926 3.315 -3.008 1.00 0.00 ? 28 LYS B CB 25 ATOM 35222 C CG . LYS B 1 28 ? -8.374 4.770 -2.986 1.00 0.00 ? 28 LYS B CG 25 ATOM 35223 C CD . LYS B 1 28 ? -7.261 5.724 -3.393 1.00 0.00 ? 28 LYS B CD 25 ATOM 35224 C CE . LYS B 1 28 ? -6.541 5.269 -4.654 1.00 0.00 ? 28 LYS B CE 25 ATOM 35225 N NZ . LYS B 1 28 ? -5.991 6.418 -5.424 1.00 0.00 ? 28 LYS B NZ 25 ATOM 35226 H H . LYS B 1 28 ? -7.762 0.829 -3.586 1.00 0.00 ? 28 LYS B H 25 ATOM 35227 H HA . LYS B 1 28 ? -9.454 2.357 -1.854 1.00 0.00 ? 28 LYS B HA 25 ATOM 35228 H HB2 . LYS B 1 28 ? -7.228 3.162 -2.197 1.00 0.00 ? 28 LYS B HB2 25 ATOM 35229 H HB3 . LYS B 1 28 ? -7.422 3.128 -3.945 1.00 0.00 ? 28 LYS B HB3 25 ATOM 35230 H HG2 . LYS B 1 28 ? -9.201 4.890 -3.669 1.00 0.00 ? 28 LYS B HG2 25 ATOM 35231 H HG3 . LYS B 1 28 ? -8.696 5.017 -1.985 1.00 0.00 ? 28 LYS B HG3 25 ATOM 35232 H HD2 . LYS B 1 28 ? -7.690 6.697 -3.575 1.00 0.00 ? 28 LYS B HD2 25 ATOM 35233 H HD3 . LYS B 1 28 ? -6.547 5.790 -2.587 1.00 0.00 ? 28 LYS B HD3 25 ATOM 35234 H HE2 . LYS B 1 28 ? -5.729 4.615 -4.373 1.00 0.00 ? 28 LYS B HE2 25 ATOM 35235 H HE3 . LYS B 1 28 ? -7.239 4.729 -5.277 1.00 0.00 ? 28 LYS B HE3 25 ATOM 35236 H HZ1 . LYS B 1 28 ? -6.414 7.308 -5.087 1.00 0.00 ? 28 LYS B HZ1 25 ATOM 35237 H HZ2 . LYS B 1 28 ? -4.960 6.469 -5.303 1.00 0.00 ? 28 LYS B HZ2 25 ATOM 35238 H HZ3 . LYS B 1 28 ? -6.206 6.308 -6.435 1.00 0.00 ? 28 LYS B HZ3 25 ATOM 35239 N N . GLN B 1 29 ? -10.127 2.149 -5.038 1.00 0.00 ? 29 GLN B N 25 ATOM 35240 C CA . GLN B 1 29 ? -11.140 2.413 -6.052 1.00 0.00 ? 29 GLN B CA 25 ATOM 35241 C C . GLN B 1 29 ? -12.440 1.698 -5.706 1.00 0.00 ? 29 GLN B C 25 ATOM 35242 O O . GLN B 1 29 ? -13.530 2.234 -5.912 1.00 0.00 ? 29 GLN B O 25 ATOM 35243 C CB . GLN B 1 29 ? -10.645 1.964 -7.428 1.00 0.00 ? 29 GLN B CB 25 ATOM 35244 C CG . GLN B 1 29 ? -11.641 2.223 -8.546 1.00 0.00 ? 29 GLN B CG 25 ATOM 35245 C CD . GLN B 1 29 ? -11.268 1.515 -9.834 1.00 0.00 ? 29 GLN B CD 25 ATOM 35246 O OE1 . GLN B 1 29 ? -12.092 0.831 -10.441 1.00 0.00 ? 29 GLN B OE1 25 ATOM 35247 N NE2 . GLN B 1 29 ? -10.019 1.676 -10.258 1.00 0.00 ? 29 GLN B NE2 25 ATOM 35248 H H . GLN B 1 29 ? -9.372 1.567 -5.257 1.00 0.00 ? 29 GLN B H 25 ATOM 35249 H HA . GLN B 1 29 ? -11.321 3.477 -6.071 1.00 0.00 ? 29 GLN B HA 25 ATOM 35250 H HB2 . GLN B 1 29 ? -9.731 2.491 -7.659 1.00 0.00 ? 29 GLN B HB2 25 ATOM 35251 H HB3 . GLN B 1 29 ? -10.440 0.904 -7.396 1.00 0.00 ? 29 GLN B HB3 25 ATOM 35252 H HG2 . GLN B 1 29 ? -12.614 1.877 -8.232 1.00 0.00 ? 29 GLN B HG2 25 ATOM 35253 H HG3 . GLN B 1 29 ? -11.681 3.286 -8.736 1.00 0.00 ? 29 GLN B HG3 25 ATOM 35254 H HE21 . GLN B 1 29 ? -9.417 2.234 -9.724 1.00 0.00 ? 29 GLN B HE21 25 ATOM 35255 H HE22 . GLN B 1 29 ? -9.752 1.229 -11.088 1.00 0.00 ? 29 GLN B HE22 25 ATOM 35256 N N . SER B 1 30 ? -12.318 0.484 -5.178 1.00 0.00 ? 30 SER B N 25 ATOM 35257 C CA . SER B 1 30 ? -13.486 -0.306 -4.800 1.00 0.00 ? 30 SER B CA 25 ATOM 35258 C C . SER B 1 30 ? -14.168 0.275 -3.563 1.00 0.00 ? 30 SER B C 25 ATOM 35259 O O . SER B 1 30 ? -15.394 0.340 -3.493 1.00 0.00 ? 30 SER B O 25 ATOM 35260 C CB . SER B 1 30 ? -13.083 -1.759 -4.540 1.00 0.00 ? 30 SER B CB 25 ATOM 35261 O OG . SER B 1 30 ? -13.325 -2.568 -5.678 1.00 0.00 ? 30 SER B OG 25 ATOM 35262 H H . SER B 1 30 ? -11.420 0.110 -5.038 1.00 0.00 ? 30 SER B H 25 ATOM 35263 H HA . SER B 1 30 ? -14.183 -0.279 -5.625 1.00 0.00 ? 30 SER B HA 25 ATOM 35264 H HB2 . SER B 1 30 ? -12.030 -1.800 -4.302 1.00 0.00 ? 30 SER B HB2 25 ATOM 35265 H HB3 . SER B 1 30 ? -13.654 -2.145 -3.709 1.00 0.00 ? 30 SER B HB3 25 ATOM 35266 H HG . SER B 1 30 ? -13.536 -3.461 -5.396 1.00 0.00 ? 30 SER B HG 25 ATOM 35267 N N . ILE B 1 31 ? -13.364 0.692 -2.590 1.00 0.00 ? 31 ILE B N 25 ATOM 35268 C CA . ILE B 1 31 ? -13.888 1.266 -1.355 1.00 0.00 ? 31 ILE B CA 25 ATOM 35269 C C . ILE B 1 31 ? -14.401 2.685 -1.582 1.00 0.00 ? 31 ILE B C 25 ATOM 35270 O O . ILE B 1 31 ? -15.260 3.172 -0.846 1.00 0.00 ? 31 ILE B O 25 ATOM 35271 C CB . ILE B 1 31 ? -12.810 1.273 -0.251 1.00 0.00 ? 31 ILE B CB 25 ATOM 35272 C CG1 . ILE B 1 31 ? -13.331 1.910 1.035 1.00 0.00 ? 31 ILE B CG1 25 ATOM 35273 C CG2 . ILE B 1 31 ? -11.567 2.000 -0.731 1.00 0.00 ? 31 ILE B CG2 25 ATOM 35274 C CD1 . ILE B 1 31 ? -14.248 1.010 1.827 1.00 0.00 ? 31 ILE B CD1 25 ATOM 35275 H H . ILE B 1 31 ? -12.393 0.613 -2.704 1.00 0.00 ? 31 ILE B H 25 ATOM 35276 H HA . ILE B 1 31 ? -14.709 0.647 -1.023 1.00 0.00 ? 31 ILE B HA 25 ATOM 35277 H HB . ILE B 1 31 ? -12.542 0.249 -0.048 1.00 0.00 ? 31 ILE B HB 25 ATOM 35278 H HG12 . ILE B 1 31 ? -12.489 2.158 1.668 1.00 0.00 ? 31 ILE B HG12 25 ATOM 35279 H HG13 . ILE B 1 31 ? -13.872 2.812 0.793 1.00 0.00 ? 31 ILE B HG13 25 ATOM 35280 H HG21 . ILE B 1 31 ? -11.634 2.159 -1.795 1.00 0.00 ? 31 ILE B HG21 25 ATOM 35281 H HG22 . ILE B 1 31 ? -11.491 2.952 -0.228 1.00 0.00 ? 31 ILE B HG22 25 ATOM 35282 H HG23 . ILE B 1 31 ? -10.694 1.406 -0.509 1.00 0.00 ? 31 ILE B HG23 25 ATOM 35283 H HD11 . ILE B 1 31 ? -13.841 0.010 1.847 1.00 0.00 ? 31 ILE B HD11 25 ATOM 35284 H HD12 . ILE B 1 31 ? -14.334 1.382 2.837 1.00 0.00 ? 31 ILE B HD12 25 ATOM 35285 H HD13 . ILE B 1 31 ? -15.225 0.993 1.365 1.00 0.00 ? 31 ILE B HD13 25 ATOM 35286 N N . LYS B 1 32 ? -13.881 3.339 -2.617 1.00 0.00 ? 32 LYS B N 25 ATOM 35287 C CA . LYS B 1 32 ? -14.295 4.698 -2.947 1.00 0.00 ? 32 LYS B CA 25 ATOM 35288 C C . LYS B 1 32 ? -15.596 4.685 -3.741 1.00 0.00 ? 32 LYS B C 25 ATOM 35289 O O . LYS B 1 32 ? -16.408 5.605 -3.638 1.00 0.00 ? 32 LYS B O 25 ATOM 35290 C CB . LYS B 1 32 ? -13.202 5.409 -3.747 1.00 0.00 ? 32 LYS B CB 25 ATOM 35291 C CG . LYS B 1 32 ? -13.506 6.873 -4.024 1.00 0.00 ? 32 LYS B CG 25 ATOM 35292 C CD . LYS B 1 32 ? -12.466 7.495 -4.942 1.00 0.00 ? 32 LYS B CD 25 ATOM 35293 C CE . LYS B 1 32 ? -11.057 7.291 -4.405 1.00 0.00 ? 32 LYS B CE 25 ATOM 35294 N NZ . LYS B 1 32 ? -10.180 8.459 -4.693 1.00 0.00 ? 32 LYS B NZ 25 ATOM 35295 H H . LYS B 1 32 ? -13.210 2.896 -3.174 1.00 0.00 ? 32 LYS B H 25 ATOM 35296 H HA . LYS B 1 32 ? -14.457 5.229 -2.021 1.00 0.00 ? 32 LYS B HA 25 ATOM 35297 H HB2 . LYS B 1 32 ? -12.275 5.354 -3.197 1.00 0.00 ? 32 LYS B HB2 25 ATOM 35298 H HB3 . LYS B 1 32 ? -13.078 4.905 -4.694 1.00 0.00 ? 32 LYS B HB3 25 ATOM 35299 H HG2 . LYS B 1 32 ? -14.475 6.947 -4.494 1.00 0.00 ? 32 LYS B HG2 25 ATOM 35300 H HG3 . LYS B 1 32 ? -13.516 7.411 -3.087 1.00 0.00 ? 32 LYS B HG3 25 ATOM 35301 H HD2 . LYS B 1 32 ? -12.538 7.035 -5.915 1.00 0.00 ? 32 LYS B HD2 25 ATOM 35302 H HD3 . LYS B 1 32 ? -12.660 8.554 -5.024 1.00 0.00 ? 32 LYS B HD3 25 ATOM 35303 H HE2 . LYS B 1 32 ? -11.111 7.146 -3.337 1.00 0.00 ? 32 LYS B HE2 25 ATOM 35304 H HE3 . LYS B 1 32 ? -10.634 6.411 -4.866 1.00 0.00 ? 32 LYS B HE3 25 ATOM 35305 H HZ1 . LYS B 1 32 ? -10.624 9.075 -5.403 1.00 0.00 ? 32 LYS B HZ1 25 ATOM 35306 H HZ2 . LYS B 1 32 ? -10.022 9.009 -3.823 1.00 0.00 ? 32 LYS B HZ2 25 ATOM 35307 H HZ3 . LYS B 1 32 ? -9.261 8.135 -5.058 1.00 0.00 ? 32 LYS B HZ3 25 ATOM 35308 N N . LYS B 1 33 ? -15.792 3.632 -4.529 1.00 0.00 ? 33 LYS B N 25 ATOM 35309 C CA . LYS B 1 33 ? -16.997 3.495 -5.335 1.00 0.00 ? 33 LYS B CA 25 ATOM 35310 C C . LYS B 1 33 ? -18.181 3.089 -4.464 1.00 0.00 ? 33 LYS B C 25 ATOM 35311 O O . LYS B 1 33 ? -19.308 3.535 -4.680 1.00 0.00 ? 33 LYS B O 25 ATOM 35312 C CB . LYS B 1 33 ? -16.783 2.460 -6.441 1.00 0.00 ? 33 LYS B CB 25 ATOM 35313 C CG . LYS B 1 33 ? -17.846 2.501 -7.527 1.00 0.00 ? 33 LYS B CG 25 ATOM 35314 C CD . LYS B 1 33 ? -17.638 3.679 -8.465 1.00 0.00 ? 33 LYS B CD 25 ATOM 35315 C CE . LYS B 1 33 ? -17.999 3.320 -9.898 1.00 0.00 ? 33 LYS B CE 25 ATOM 35316 N NZ . LYS B 1 33 ? -17.102 3.989 -10.881 1.00 0.00 ? 33 LYS B NZ 25 ATOM 35317 H H . LYS B 1 33 ? -15.110 2.929 -4.564 1.00 0.00 ? 33 LYS B H 25 ATOM 35318 H HA . LYS B 1 33 ? -17.207 4.454 -5.785 1.00 0.00 ? 33 LYS B HA 25 ATOM 35319 H HB2 . LYS B 1 33 ? -15.822 2.635 -6.901 1.00 0.00 ? 33 LYS B HB2 25 ATOM 35320 H HB3 . LYS B 1 33 ? -16.787 1.473 -6.001 1.00 0.00 ? 33 LYS B HB3 25 ATOM 35321 H HG2 . LYS B 1 33 ? -17.798 1.586 -8.098 1.00 0.00 ? 33 LYS B HG2 25 ATOM 35322 H HG3 . LYS B 1 33 ? -18.818 2.589 -7.063 1.00 0.00 ? 33 LYS B HG3 25 ATOM 35323 H HD2 . LYS B 1 33 ? -18.262 4.498 -8.143 1.00 0.00 ? 33 LYS B HD2 25 ATOM 35324 H HD3 . LYS B 1 33 ? -16.601 3.977 -8.428 1.00 0.00 ? 33 LYS B HD3 25 ATOM 35325 H HE2 . LYS B 1 33 ? -17.916 2.250 -10.019 1.00 0.00 ? 33 LYS B HE2 25 ATOM 35326 H HE3 . LYS B 1 33 ? -19.018 3.625 -10.086 1.00 0.00 ? 33 LYS B HE3 25 ATOM 35327 H HZ1 . LYS B 1 33 ? -16.114 3.921 -10.567 1.00 0.00 ? 33 LYS B HZ1 25 ATOM 35328 H HZ2 . LYS B 1 33 ? -17.190 3.535 -11.812 1.00 0.00 ? 33 LYS B HZ2 25 ATOM 35329 H HZ3 . LYS B 1 33 ? -17.358 4.994 -10.971 1.00 0.00 ? 33 LYS B HZ3 25 ATOM 35330 N N . LEU B 1 34 ? -17.915 2.242 -3.475 1.00 0.00 ? 34 LEU B N 25 ATOM 35331 C CA . LEU B 1 34 ? -18.954 1.777 -2.566 1.00 0.00 ? 34 LEU B CA 25 ATOM 35332 C C . LEU B 1 34 ? -19.364 2.888 -1.603 1.00 0.00 ? 34 LEU B C 25 ATOM 35333 O O . LEU B 1 34 ? -20.542 3.037 -1.277 1.00 0.00 ? 34 LEU B O 25 ATOM 35334 C CB . LEU B 1 34 ? -18.467 0.556 -1.783 1.00 0.00 ? 34 LEU B CB 25 ATOM 35335 C CG . LEU B 1 34 ? -19.527 -0.518 -1.530 1.00 0.00 ? 34 LEU B CG 25 ATOM 35336 C CD1 . LEU B 1 34 ? -20.827 0.112 -1.056 1.00 0.00 ? 34 LEU B CD1 25 ATOM 35337 C CD2 . LEU B 1 34 ? -19.759 -1.342 -2.787 1.00 0.00 ? 34 LEU B CD2 25 ATOM 35338 H H . LEU B 1 34 ? -16.995 1.925 -3.353 1.00 0.00 ? 34 LEU B H 25 ATOM 35339 H HA . LEU B 1 34 ? -19.811 1.496 -3.158 1.00 0.00 ? 34 LEU B HA 25 ATOM 35340 H HB2 . LEU B 1 34 ? -17.652 0.107 -2.330 1.00 0.00 ? 34 LEU B HB2 25 ATOM 35341 H HB3 . LEU B 1 34 ? -18.094 0.894 -0.827 1.00 0.00 ? 34 LEU B HB3 25 ATOM 35342 H HG . LEU B 1 34 ? -19.176 -1.183 -0.753 1.00 0.00 ? 34 LEU B HG 25 ATOM 35343 H HD11 . LEU B 1 34 ? -21.070 0.954 -1.687 1.00 0.00 ? 34 LEU B HD11 25 ATOM 35344 H HD12 . LEU B 1 34 ? -21.620 -0.618 -1.109 1.00 0.00 ? 34 LEU B HD12 25 ATOM 35345 H HD13 . LEU B 1 34 ? -20.713 0.448 -0.036 1.00 0.00 ? 34 LEU B HD13 25 ATOM 35346 H HD21 . LEU B 1 34 ? -19.213 -0.906 -3.609 1.00 0.00 ? 34 LEU B HD21 25 ATOM 35347 H HD22 . LEU B 1 34 ? -19.418 -2.353 -2.624 1.00 0.00 ? 34 LEU B HD22 25 ATOM 35348 H HD23 . LEU B 1 34 ? -20.814 -1.352 -3.021 1.00 0.00 ? 34 LEU B HD23 25 ATOM 35349 N N . LYS B 1 35 ? -18.385 3.668 -1.154 1.00 0.00 ? 35 LYS B N 25 ATOM 35350 C CA . LYS B 1 35 ? -18.648 4.767 -0.233 1.00 0.00 ? 35 LYS B CA 25 ATOM 35351 C C . LYS B 1 35 ? -19.250 5.956 -0.973 1.00 0.00 ? 35 LYS B C 25 ATOM 35352 O O . LYS B 1 35 ? -19.979 6.759 -0.391 1.00 0.00 ? 35 LYS B O 25 ATOM 35353 C CB . LYS B 1 35 ? -17.360 5.189 0.476 1.00 0.00 ? 35 LYS B CB 25 ATOM 35354 C CG . LYS B 1 35 ? -17.569 6.269 1.524 1.00 0.00 ? 35 LYS B CG 25 ATOM 35355 C CD . LYS B 1 35 ? -18.283 5.726 2.750 1.00 0.00 ? 35 LYS B CD 25 ATOM 35356 C CE . LYS B 1 35 ? -17.305 5.413 3.871 1.00 0.00 ? 35 LYS B CE 25 ATOM 35357 N NZ . LYS B 1 35 ? -16.778 6.651 4.510 1.00 0.00 ? 35 LYS B NZ 25 ATOM 35358 H H . LYS B 1 35 ? -17.464 3.502 -1.451 1.00 0.00 ? 35 LYS B H 25 ATOM 35359 H HA . LYS B 1 35 ? -19.358 4.419 0.502 1.00 0.00 ? 35 LYS B HA 25 ATOM 35360 H HB2 . LYS B 1 35 ? -16.930 4.325 0.962 1.00 0.00 ? 35 LYS B HB2 25 ATOM 35361 H HB3 . LYS B 1 35 ? -16.662 5.561 -0.259 1.00 0.00 ? 35 LYS B HB3 25 ATOM 35362 H HG2 . LYS B 1 35 ? -16.608 6.659 1.823 1.00 0.00 ? 35 LYS B HG2 25 ATOM 35363 H HG3 . LYS B 1 35 ? -18.163 7.064 1.095 1.00 0.00 ? 35 LYS B HG3 25 ATOM 35364 H HD2 . LYS B 1 35 ? -18.991 6.463 3.099 1.00 0.00 ? 35 LYS B HD2 25 ATOM 35365 H HD3 . LYS B 1 35 ? -18.807 4.821 2.478 1.00 0.00 ? 35 LYS B HD3 25 ATOM 35366 H HE2 . LYS B 1 35 ? -17.812 4.821 4.619 1.00 0.00 ? 35 LYS B HE2 25 ATOM 35367 H HE3 . LYS B 1 35 ? -16.480 4.848 3.464 1.00 0.00 ? 35 LYS B HE3 25 ATOM 35368 H HZ1 . LYS B 1 35 ? -16.878 7.457 3.862 1.00 0.00 ? 35 LYS B HZ1 25 ATOM 35369 H HZ2 . LYS B 1 35 ? -17.304 6.855 5.383 1.00 0.00 ? 35 LYS B HZ2 25 ATOM 35370 H HZ3 . LYS B 1 35 ? -15.771 6.530 4.744 1.00 0.00 ? 35 LYS B HZ3 25 ATOM 35371 N N . GLN B 1 36 ? -18.940 6.059 -2.262 1.00 0.00 ? 36 GLN B N 25 ATOM 35372 C CA . GLN B 1 36 ? -19.453 7.148 -3.084 1.00 0.00 ? 36 GLN B CA 25 ATOM 35373 C C . GLN B 1 36 ? -20.895 6.878 -3.499 1.00 0.00 ? 36 GLN B C 25 ATOM 35374 O O . GLN B 1 36 ? -21.663 7.804 -3.753 1.00 0.00 ? 36 GLN B O 25 ATOM 35375 C CB . GLN B 1 36 ? -18.579 7.332 -4.327 1.00 0.00 ? 36 GLN B CB 25 ATOM 35376 C CG . GLN B 1 36 ? -17.341 8.179 -4.081 1.00 0.00 ? 36 GLN B CG 25 ATOM 35377 C CD . GLN B 1 36 ? -16.446 8.273 -5.301 1.00 0.00 ? 36 GLN B CD 25 ATOM 35378 O OE1 . GLN B 1 36 ? -16.639 7.556 -6.282 1.00 0.00 ? 36 GLN B OE1 25 ATOM 35379 N NE2 . GLN B 1 36 ? -15.458 9.158 -5.243 1.00 0.00 ? 36 GLN B NE2 25 ATOM 35380 H H . GLN B 1 36 ? -18.356 5.386 -2.668 1.00 0.00 ? 36 GLN B H 25 ATOM 35381 H HA . GLN B 1 36 ? -19.423 8.052 -2.496 1.00 0.00 ? 36 GLN B HA 25 ATOM 35382 H HB2 . GLN B 1 36 ? -18.260 6.361 -4.676 1.00 0.00 ? 36 GLN B HB2 25 ATOM 35383 H HB3 . GLN B 1 36 ? -19.165 7.807 -5.099 1.00 0.00 ? 36 GLN B HB3 25 ATOM 35384 H HG2 . GLN B 1 36 ? -17.652 9.176 -3.804 1.00 0.00 ? 36 GLN B HG2 25 ATOM 35385 H HG3 . GLN B 1 36 ? -16.777 7.742 -3.269 1.00 0.00 ? 36 GLN B HG3 25 ATOM 35386 H HE21 . GLN B 1 36 ? -15.364 9.694 -4.428 1.00 0.00 ? 36 GLN B HE21 25 ATOM 35387 H HE22 . GLN B 1 36 ? -14.864 9.239 -6.019 1.00 0.00 ? 36 GLN B HE22 25 ATOM 35388 N N . SER B 1 37 ? -21.255 5.599 -3.561 1.00 0.00 ? 37 SER B N 25 ATOM 35389 C CA . SER B 1 37 ? -22.606 5.204 -3.941 1.00 0.00 ? 37 SER B CA 25 ATOM 35390 C C . SER B 1 37 ? -23.595 5.502 -2.819 1.00 0.00 ? 37 SER B C 25 ATOM 35391 O O . SER B 1 37 ? -24.765 5.790 -3.070 1.00 0.00 ? 37 SER B O 25 ATOM 35392 C CB . SER B 1 37 ? -22.645 3.715 -4.289 1.00 0.00 ? 37 SER B CB 25 ATOM 35393 O OG . SER B 1 37 ? -22.499 2.916 -3.129 1.00 0.00 ? 37 SER B OG 25 ATOM 35394 H H . SER B 1 37 ? -20.597 4.906 -3.346 1.00 0.00 ? 37 SER B H 25 ATOM 35395 H HA . SER B 1 37 ? -22.886 5.776 -4.814 1.00 0.00 ? 37 SER B HA 25 ATOM 35396 H HB2 . SER B 1 37 ? -23.590 3.480 -4.755 1.00 0.00 ? 37 SER B HB2 25 ATOM 35397 H HB3 . SER B 1 37 ? -21.841 3.486 -4.972 1.00 0.00 ? 37 SER B HB3 25 ATOM 35398 H HG . SER B 1 37 ? -22.357 2.002 -3.384 1.00 0.00 ? 37 SER B HG 25 ATOM 35399 N N . GLU B 1 38 ? -23.117 5.432 -1.581 1.00 0.00 ? 38 GLU B N 25 ATOM 35400 C CA . GLU B 1 38 ? -23.960 5.695 -0.421 1.00 0.00 ? 38 GLU B CA 25 ATOM 35401 C C . GLU B 1 38 ? -24.257 7.186 -0.292 1.00 0.00 ? 38 GLU B C 25 ATOM 35402 O O . GLU B 1 38 ? -25.275 7.579 0.277 1.00 0.00 ? 38 GLU B O 25 ATOM 35403 C CB . GLU B 1 38 ? -23.283 5.186 0.854 1.00 0.00 ? 38 GLU B CB 25 ATOM 35404 C CG . GLU B 1 38 ? -24.072 5.476 2.120 1.00 0.00 ? 38 GLU B CG 25 ATOM 35405 C CD . GLU B 1 38 ? -25.546 5.149 1.977 1.00 0.00 ? 38 GLU B CD 25 ATOM 35406 O OE1 . GLU B 1 38 ? -25.864 4.068 1.438 1.00 0.00 ? 38 GLU B OE1 25 ATOM 35407 O OE2 . GLU B 1 38 ? -26.381 5.973 2.403 1.00 0.00 ? 38 GLU B OE2 25 ATOM 35408 H H . GLU B 1 38 ? -22.174 5.198 -1.445 1.00 0.00 ? 38 GLU B H 25 ATOM 35409 H HA . GLU B 1 38 ? -24.890 5.165 -0.561 1.00 0.00 ? 38 GLU B HA 25 ATOM 35410 H HB2 . GLU B 1 38 ? -23.151 4.118 0.774 1.00 0.00 ? 38 GLU B HB2 25 ATOM 35411 H HB3 . GLU B 1 38 ? -22.314 5.654 0.944 1.00 0.00 ? 38 GLU B HB3 25 ATOM 35412 H HG2 . GLU B 1 38 ? -23.665 4.885 2.926 1.00 0.00 ? 38 GLU B HG2 25 ATOM 35413 H HG3 . GLU B 1 38 ? -23.973 6.525 2.358 1.00 0.00 ? 38 GLU B HG3 25 ATOM 35414 N N . ASP B 1 39 ? -23.361 8.011 -0.826 1.00 0.00 ? 39 ASP B N 25 ATOM 35415 C CA . ASP B 1 39 ? -23.527 9.458 -0.773 1.00 0.00 ? 39 ASP B CA 25 ATOM 35416 C C . ASP B 1 39 ? -23.131 10.100 -2.098 1.00 0.00 ? 39 ASP B C 25 ATOM 35417 O O . ASP B 1 39 ? -22.502 11.158 -2.123 1.00 0.00 ? 39 ASP B O 25 ATOM 35418 C CB . ASP B 1 39 ? -22.689 10.047 0.364 1.00 0.00 ? 39 ASP B CB 25 ATOM 35419 C CG . ASP B 1 39 ? -23.187 11.411 0.803 1.00 0.00 ? 39 ASP B CG 25 ATOM 35420 O OD1 . ASP B 1 39 ? -23.763 12.132 -0.039 1.00 0.00 ? 39 ASP B OD1 25 ATOM 35421 O OD2 . ASP B 1 39 ? -23.001 11.757 1.988 1.00 0.00 ? 39 ASP B OD2 25 ATOM 35422 H H . ASP B 1 39 ? -22.571 7.636 -1.267 1.00 0.00 ? 39 ASP B H 25 ATOM 35423 H HA . ASP B 1 39 ? -24.570 9.665 -0.584 1.00 0.00 ? 39 ASP B HA 25 ATOM 35424 H HB2 . ASP B 1 39 ? -22.726 9.381 1.212 1.00 0.00 ? 39 ASP B HB2 25 ATOM 35425 H HB3 . ASP B 1 39 ? -21.666 10.146 0.033 1.00 0.00 ? 39 ASP B HB3 25 ATOM 35426 N N . ASP B 1 40 ? -23.499 9.452 -3.197 1.00 0.00 ? 40 ASP B N 25 ATOM 35427 C CA . ASP B 1 40 ? -23.182 9.958 -4.527 1.00 0.00 ? 40 ASP B CA 25 ATOM 35428 C C . ASP B 1 40 ? -23.895 11.280 -4.792 1.00 0.00 ? 40 ASP B C 25 ATOM 35429 O O . ASP B 1 40 ? -24.992 11.516 -4.287 1.00 0.00 ? 40 ASP B O 25 ATOM 35430 C CB . ASP B 1 40 ? -23.571 8.932 -5.593 1.00 0.00 ? 40 ASP B CB 25 ATOM 35431 C CG . ASP B 1 40 ? -22.818 9.135 -6.893 1.00 0.00 ? 40 ASP B CG 25 ATOM 35432 O OD1 . ASP B 1 40 ? -21.781 9.830 -6.877 1.00 0.00 ? 40 ASP B OD1 25 ATOM 35433 O OD2 . ASP B 1 40 ? -23.266 8.597 -7.928 1.00 0.00 ? 40 ASP B OD2 25 ATOM 35434 H H . ASP B 1 40 ? -23.998 8.612 -3.112 1.00 0.00 ? 40 ASP B H 25 ATOM 35435 H HA . ASP B 1 40 ? -22.116 10.123 -4.572 1.00 0.00 ? 40 ASP B HA 25 ATOM 35436 H HB2 . ASP B 1 40 ? -23.356 7.940 -5.224 1.00 0.00 ? 40 ASP B HB2 25 ATOM 35437 H HB3 . ASP B 1 40 ? -24.629 9.015 -5.794 1.00 0.00 ? 40 ASP B HB3 25 ATOM 35438 N N . ASP B 1 41 ? -23.264 12.137 -5.587 1.00 0.00 ? 41 ASP B N 25 ATOM 35439 C CA . ASP B 1 41 ? -23.839 13.436 -5.920 1.00 0.00 ? 41 ASP B CA 25 ATOM 35440 C C . ASP B 1 41 ? -24.383 13.441 -7.344 1.00 0.00 ? 41 ASP B C 25 ATOM 35441 O O . ASP B 1 41 ? -25.571 13.784 -7.522 1.00 0.00 ? 41 ASP B O 25 ATOM 35442 C CB . ASP B 1 41 ? -22.789 14.538 -5.758 1.00 0.00 ? 41 ASP B CB 25 ATOM 35443 C CG . ASP B 1 41 ? -23.228 15.616 -4.788 1.00 0.00 ? 41 ASP B CG 25 ATOM 35444 O OD1 . ASP B 1 41 ? -23.646 15.268 -3.663 1.00 0.00 ? 41 ASP B OD1 25 ATOM 35445 O OD2 . ASP B 1 41 ? -23.153 16.809 -5.151 1.00 0.00 ? 41 ASP B OD2 25 ATOM 35446 O OXT . ASP B 1 41 ? -23.617 13.103 -8.270 1.00 0.00 ? 41 ASP B OXT 25 ATOM 35447 H H . ASP B 1 41 ? -22.391 11.892 -5.959 1.00 0.00 ? 41 ASP B H 25 ATOM 35448 H HA . ASP B 1 41 ? -24.652 13.624 -5.235 1.00 0.00 ? 41 ASP B HA 25 ATOM 35449 H HB2 . ASP B 1 41 ? -21.872 14.102 -5.393 1.00 0.00 ? 41 ASP B HB2 25 ATOM 35450 H HB3 . ASP B 1 41 ? -22.607 14.997 -6.719 1.00 0.00 ? 41 ASP B HB3 25 ATOM 35451 N N . ALA A 1 1 ? -34.221 7.029 2.858 1.00 0.00 ? 1 ALA A N 26 ATOM 35452 C CA . ALA A 1 1 ? -33.323 5.895 2.517 1.00 0.00 ? 1 ALA A CA 26 ATOM 35453 C C . ALA A 1 1 ? -32.871 5.157 3.772 1.00 0.00 ? 1 ALA A C 26 ATOM 35454 O O . ALA A 1 1 ? -32.236 5.738 4.651 1.00 0.00 ? 1 ALA A O 26 ATOM 35455 C CB . ALA A 1 1 ? -32.116 6.394 1.736 1.00 0.00 ? 1 ALA A CB 26 ATOM 35456 H H1 . ALA A 1 1 ? -34.683 6.807 3.763 1.00 0.00 ? 1 ALA A H1 26 ATOM 35457 H H2 . ALA A 1 1 ? -33.633 7.885 2.937 1.00 0.00 ? 1 ALA A H2 26 ATOM 35458 H H3 . ALA A 1 1 ? -34.919 7.122 2.094 1.00 0.00 ? 1 ALA A H3 26 ATOM 35459 H HA . ALA A 1 1 ? -33.869 5.208 1.886 1.00 0.00 ? 1 ALA A HA 26 ATOM 35460 H HB1 . ALA A 1 1 ? -31.300 6.581 2.418 1.00 0.00 ? 1 ALA A HB1 26 ATOM 35461 H HB2 . ALA A 1 1 ? -32.373 7.307 1.222 1.00 0.00 ? 1 ALA A HB2 26 ATOM 35462 H HB3 . ALA A 1 1 ? -31.820 5.645 1.015 1.00 0.00 ? 1 ALA A HB3 26 ATOM 35463 N N . LEU A 1 2 ? -33.203 3.872 3.849 1.00 0.00 ? 2 LEU A N 26 ATOM 35464 C CA . LEU A 1 2 ? -32.832 3.053 4.996 1.00 0.00 ? 2 LEU A CA 26 ATOM 35465 C C . LEU A 1 2 ? -32.159 1.761 4.549 1.00 0.00 ? 2 LEU A C 26 ATOM 35466 O O . LEU A 1 2 ? -32.825 0.818 4.121 1.00 0.00 ? 2 LEU A O 26 ATOM 35467 C CB . LEU A 1 2 ? -34.067 2.734 5.841 1.00 0.00 ? 2 LEU A CB 26 ATOM 35468 C CG . LEU A 1 2 ? -35.302 2.310 5.046 1.00 0.00 ? 2 LEU A CG 26 ATOM 35469 C CD1 . LEU A 1 2 ? -36.185 1.393 5.878 1.00 0.00 ? 2 LEU A CD1 26 ATOM 35470 C CD2 . LEU A 1 2 ? -36.084 3.533 4.588 1.00 0.00 ? 2 LEU A CD2 26 ATOM 35471 H H . LEU A 1 2 ? -33.711 3.464 3.115 1.00 0.00 ? 2 LEU A H 26 ATOM 35472 H HA . LEU A 1 2 ? -32.134 3.620 5.595 1.00 0.00 ? 2 LEU A HA 26 ATOM 35473 H HB2 . LEU A 1 2 ? -33.812 1.935 6.524 1.00 0.00 ? 2 LEU A HB2 26 ATOM 35474 H HB3 . LEU A 1 2 ? -34.320 3.610 6.417 1.00 0.00 ? 2 LEU A HB3 26 ATOM 35475 H HG . LEU A 1 2 ? -34.988 1.764 4.168 1.00 0.00 ? 2 LEU A HG 26 ATOM 35476 H HD11 . LEU A 1 2 ? -35.849 1.405 6.905 1.00 0.00 ? 2 LEU A HD11 26 ATOM 35477 H HD12 . LEU A 1 2 ? -37.208 1.736 5.831 1.00 0.00 ? 2 LEU A HD12 26 ATOM 35478 H HD13 . LEU A 1 2 ? -36.123 0.386 5.491 1.00 0.00 ? 2 LEU A HD13 26 ATOM 35479 H HD21 . LEU A 1 2 ? -35.427 4.390 4.560 1.00 0.00 ? 2 LEU A HD21 26 ATOM 35480 H HD22 . LEU A 1 2 ? -36.485 3.354 3.602 1.00 0.00 ? 2 LEU A HD22 26 ATOM 35481 H HD23 . LEU A 1 2 ? -36.893 3.722 5.277 1.00 0.00 ? 2 LEU A HD23 26 ATOM 35482 N N . LYS A 1 3 ? -30.834 1.723 4.650 1.00 0.00 ? 3 LYS A N 26 ATOM 35483 C CA . LYS A 1 3 ? -30.071 0.545 4.255 1.00 0.00 ? 3 LYS A CA 26 ATOM 35484 C C . LYS A 1 3 ? -28.974 0.243 5.272 1.00 0.00 ? 3 LYS A C 26 ATOM 35485 O O . LYS A 1 3 ? -29.101 -0.676 6.082 1.00 0.00 ? 3 LYS A O 26 ATOM 35486 C CB . LYS A 1 3 ? -29.456 0.752 2.869 1.00 0.00 ? 3 LYS A CB 26 ATOM 35487 C CG . LYS A 1 3 ? -29.857 -0.314 1.863 1.00 0.00 ? 3 LYS A CG 26 ATOM 35488 C CD . LYS A 1 3 ? -31.308 -0.162 1.438 1.00 0.00 ? 3 LYS A CD 26 ATOM 35489 C CE . LYS A 1 3 ? -31.540 1.147 0.701 1.00 0.00 ? 3 LYS A CE 26 ATOM 35490 N NZ . LYS A 1 3 ? -32.598 1.970 1.347 1.00 0.00 ? 3 LYS A NZ 26 ATOM 35491 H H . LYS A 1 3 ? -30.359 2.506 4.998 1.00 0.00 ? 3 LYS A H 26 ATOM 35492 H HA . LYS A 1 3 ? -30.751 -0.293 4.217 1.00 0.00 ? 3 LYS A HA 26 ATOM 35493 H HB2 . LYS A 1 3 ? -29.769 1.712 2.488 1.00 0.00 ? 3 LYS A HB2 26 ATOM 35494 H HB3 . LYS A 1 3 ? -28.380 0.743 2.960 1.00 0.00 ? 3 LYS A HB3 26 ATOM 35495 H HG2 . LYS A 1 3 ? -29.226 -0.228 0.990 1.00 0.00 ? 3 LYS A HG2 26 ATOM 35496 H HG3 . LYS A 1 3 ? -29.722 -1.288 2.310 1.00 0.00 ? 3 LYS A HG3 26 ATOM 35497 H HD2 . LYS A 1 3 ? -31.571 -0.982 0.787 1.00 0.00 ? 3 LYS A HD2 26 ATOM 35498 H HD3 . LYS A 1 3 ? -31.934 -0.185 2.319 1.00 0.00 ? 3 LYS A HD3 26 ATOM 35499 H HE2 . LYS A 1 3 ? -30.616 1.707 0.690 1.00 0.00 ? 3 LYS A HE2 26 ATOM 35500 H HE3 . LYS A 1 3 ? -31.837 0.925 -0.314 1.00 0.00 ? 3 LYS A HE3 26 ATOM 35501 H HZ1 . LYS A 1 3 ? -33.129 1.396 2.032 1.00 0.00 ? 3 LYS A HZ1 26 ATOM 35502 H HZ2 . LYS A 1 3 ? -32.169 2.777 1.846 1.00 0.00 ? 3 LYS A HZ2 26 ATOM 35503 H HZ3 . LYS A 1 3 ? -33.257 2.333 0.630 1.00 0.00 ? 3 LYS A HZ3 26 ATOM 35504 N N . LYS A 1 4 ? -27.899 1.022 5.223 1.00 0.00 ? 4 LYS A N 26 ATOM 35505 C CA . LYS A 1 4 ? -26.778 0.841 6.139 1.00 0.00 ? 4 LYS A CA 26 ATOM 35506 C C . LYS A 1 4 ? -26.046 -0.475 5.875 1.00 0.00 ? 4 LYS A C 26 ATOM 35507 O O . LYS A 1 4 ? -25.229 -0.907 6.688 1.00 0.00 ? 4 LYS A O 26 ATOM 35508 C CB . LYS A 1 4 ? -27.268 0.882 7.588 1.00 0.00 ? 4 LYS A CB 26 ATOM 35509 C CG . LYS A 1 4 ? -26.728 2.062 8.380 1.00 0.00 ? 4 LYS A CG 26 ATOM 35510 C CD . LYS A 1 4 ? -27.132 1.982 9.843 1.00 0.00 ? 4 LYS A CD 26 ATOM 35511 C CE . LYS A 1 4 ? -26.781 3.259 10.589 1.00 0.00 ? 4 LYS A CE 26 ATOM 35512 N NZ . LYS A 1 4 ? -25.313 3.393 10.801 1.00 0.00 ? 4 LYS A NZ 26 ATOM 35513 H H . LYS A 1 4 ? -27.859 1.738 4.554 1.00 0.00 ? 4 LYS A H 26 ATOM 35514 H HA . LYS A 1 4 ? -26.089 1.657 5.981 1.00 0.00 ? 4 LYS A HA 26 ATOM 35515 H HB2 . LYS A 1 4 ? -28.347 0.939 7.590 1.00 0.00 ? 4 LYS A HB2 26 ATOM 35516 H HB3 . LYS A 1 4 ? -26.964 -0.027 8.085 1.00 0.00 ? 4 LYS A HB3 26 ATOM 35517 H HG2 . LYS A 1 4 ? -25.650 2.063 8.315 1.00 0.00 ? 4 LYS A HG2 26 ATOM 35518 H HG3 . LYS A 1 4 ? -27.118 2.976 7.956 1.00 0.00 ? 4 LYS A HG3 26 ATOM 35519 H HD2 . LYS A 1 4 ? -28.199 1.824 9.904 1.00 0.00 ? 4 LYS A HD2 26 ATOM 35520 H HD3 . LYS A 1 4 ? -26.617 1.152 10.304 1.00 0.00 ? 4 LYS A HD3 26 ATOM 35521 H HE2 . LYS A 1 4 ? -27.132 4.104 10.016 1.00 0.00 ? 4 LYS A HE2 26 ATOM 35522 H HE3 . LYS A 1 4 ? -27.275 3.247 11.550 1.00 0.00 ? 4 LYS A HE3 26 ATOM 35523 H HZ1 . LYS A 1 4 ? -24.807 2.652 10.276 1.00 0.00 ? 4 LYS A HZ1 26 ATOM 35524 H HZ2 . LYS A 1 4 ? -24.987 4.323 10.465 1.00 0.00 ? 4 LYS A HZ2 26 ATOM 35525 H HZ3 . LYS A 1 4 ? -25.088 3.303 11.812 1.00 0.00 ? 4 LYS A HZ3 26 ATOM 35526 N N . HIS A 1 5 ? -26.331 -1.106 4.739 1.00 0.00 ? 5 HIS A N 26 ATOM 35527 C CA . HIS A 1 5 ? -25.685 -2.364 4.387 1.00 0.00 ? 5 HIS A CA 26 ATOM 35528 C C . HIS A 1 5 ? -24.462 -2.109 3.511 1.00 0.00 ? 5 HIS A C 26 ATOM 35529 O O . HIS A 1 5 ? -23.456 -2.815 3.605 1.00 0.00 ? 5 HIS A O 26 ATOM 35530 C CB . HIS A 1 5 ? -26.672 -3.294 3.672 1.00 0.00 ? 5 HIS A CB 26 ATOM 35531 C CG . HIS A 1 5 ? -26.954 -2.912 2.251 1.00 0.00 ? 5 HIS A CG 26 ATOM 35532 N ND1 . HIS A 1 5 ? -26.902 -3.811 1.206 1.00 0.00 ? 5 HIS A ND1 26 ATOM 35533 C CD2 . HIS A 1 5 ? -27.296 -1.721 1.702 1.00 0.00 ? 5 HIS A CD2 26 ATOM 35534 C CE1 . HIS A 1 5 ? -27.198 -3.191 0.078 1.00 0.00 ? 5 HIS A CE1 26 ATOM 35535 N NE2 . HIS A 1 5 ? -27.442 -1.923 0.352 1.00 0.00 ? 5 HIS A NE2 26 ATOM 35536 H H . HIS A 1 5 ? -26.985 -0.718 4.122 1.00 0.00 ? 5 HIS A H 26 ATOM 35537 H HA . HIS A 1 5 ? -25.360 -2.835 5.303 1.00 0.00 ? 5 HIS A HA 26 ATOM 35538 H HB2 . HIS A 1 5 ? -26.272 -4.296 3.670 1.00 0.00 ? 5 HIS A HB2 26 ATOM 35539 H HB3 . HIS A 1 5 ? -27.609 -3.291 4.210 1.00 0.00 ? 5 HIS A HB3 26 ATOM 35540 H HD1 . HIS A 1 5 ? -26.679 -4.763 1.281 1.00 0.00 ? 5 HIS A HD1 26 ATOM 35541 H HD2 . HIS A 1 5 ? -27.429 -0.788 2.230 1.00 0.00 ? 5 HIS A HD2 26 ATOM 35542 H HE1 . HIS A 1 5 ? -27.236 -3.645 -0.901 1.00 0.00 ? 5 HIS A HE1 26 ATOM 35543 H HE2 . HIS A 1 5 ? -27.687 -1.238 -0.304 1.00 0.00 ? 5 HIS A HE2 26 ATOM 35544 N N . HIS A 1 6 ? -24.553 -1.086 2.668 1.00 0.00 ? 6 HIS A N 26 ATOM 35545 C CA . HIS A 1 6 ? -23.454 -0.727 1.781 1.00 0.00 ? 6 HIS A CA 26 ATOM 35546 C C . HIS A 1 6 ? -22.252 -0.253 2.588 1.00 0.00 ? 6 HIS A C 26 ATOM 35547 O O . HIS A 1 6 ? -21.111 -0.362 2.142 1.00 0.00 ? 6 HIS A O 26 ATOM 35548 C CB . HIS A 1 6 ? -23.892 0.365 0.804 1.00 0.00 ? 6 HIS A CB 26 ATOM 35549 C CG . HIS A 1 6 ? -24.577 -0.164 -0.418 1.00 0.00 ? 6 HIS A CG 26 ATOM 35550 N ND1 . HIS A 1 6 ? -24.924 -1.491 -0.573 1.00 0.00 ? 6 HIS A ND1 26 ATOM 35551 C CD2 . HIS A 1 6 ? -24.978 0.462 -1.550 1.00 0.00 ? 6 HIS A CD2 26 ATOM 35552 C CE1 . HIS A 1 6 ? -25.508 -1.657 -1.747 1.00 0.00 ? 6 HIS A CE1 26 ATOM 35553 N NE2 . HIS A 1 6 ? -25.554 -0.487 -2.358 1.00 0.00 ? 6 HIS A NE2 26 ATOM 35554 H H . HIS A 1 6 ? -25.377 -0.557 2.645 1.00 0.00 ? 6 HIS A H 26 ATOM 35555 H HA . HIS A 1 6 ? -23.175 -1.610 1.224 1.00 0.00 ? 6 HIS A HA 26 ATOM 35556 H HB2 . HIS A 1 6 ? -24.579 1.031 1.305 1.00 0.00 ? 6 HIS A HB2 26 ATOM 35557 H HB3 . HIS A 1 6 ? -23.024 0.922 0.486 1.00 0.00 ? 6 HIS A HB3 26 ATOM 35558 H HD1 . HIS A 1 6 ? -24.766 -2.204 0.079 1.00 0.00 ? 6 HIS A HD1 26 ATOM 35559 H HD2 . HIS A 1 6 ? -24.868 1.514 -1.773 1.00 0.00 ? 6 HIS A HD2 26 ATOM 35560 H HE1 . HIS A 1 6 ? -25.885 -2.589 -2.140 1.00 0.00 ? 6 HIS A HE1 26 ATOM 35561 H HE2 . HIS A 1 6 ? -25.937 -0.326 -3.245 1.00 0.00 ? 6 HIS A HE2 26 ATOM 35562 N N . GLU A 1 7 ? -22.517 0.269 3.781 1.00 0.00 ? 7 GLU A N 26 ATOM 35563 C CA . GLU A 1 7 ? -21.456 0.756 4.654 1.00 0.00 ? 7 GLU A CA 26 ATOM 35564 C C . GLU A 1 7 ? -20.652 -0.408 5.219 1.00 0.00 ? 7 GLU A C 26 ATOM 35565 O O . GLU A 1 7 ? -19.427 -0.338 5.321 1.00 0.00 ? 7 GLU A O 26 ATOM 35566 C CB . GLU A 1 7 ? -22.041 1.592 5.793 1.00 0.00 ? 7 GLU A CB 26 ATOM 35567 C CG . GLU A 1 7 ? -21.468 2.997 5.873 1.00 0.00 ? 7 GLU A CG 26 ATOM 35568 C CD . GLU A 1 7 ? -20.123 3.041 6.573 1.00 0.00 ? 7 GLU A CD 26 ATOM 35569 O OE1 . GLU A 1 7 ? -20.105 3.166 7.816 1.00 0.00 ? 7 GLU A OE1 26 ATOM 35570 O OE2 . GLU A 1 7 ? -19.090 2.949 5.879 1.00 0.00 ? 7 GLU A OE2 26 ATOM 35571 H H . GLU A 1 7 ? -23.448 0.327 4.084 1.00 0.00 ? 7 GLU A H 26 ATOM 35572 H HA . GLU A 1 7 ? -20.799 1.376 4.062 1.00 0.00 ? 7 GLU A HA 26 ATOM 35573 H HB2 . GLU A 1 7 ? -23.110 1.670 5.656 1.00 0.00 ? 7 GLU A HB2 26 ATOM 35574 H HB3 . GLU A 1 7 ? -21.842 1.092 6.729 1.00 0.00 ? 7 GLU A HB3 26 ATOM 35575 H HG2 . GLU A 1 7 ? -21.346 3.380 4.870 1.00 0.00 ? 7 GLU A HG2 26 ATOM 35576 H HG3 . GLU A 1 7 ? -22.160 3.625 6.415 1.00 0.00 ? 7 GLU A HG3 26 ATOM 35577 N N . ASN A 1 8 ? -21.348 -1.481 5.579 1.00 0.00 ? 8 ASN A N 26 ATOM 35578 C CA . ASN A 1 8 ? -20.696 -2.665 6.124 1.00 0.00 ? 8 ASN A CA 26 ATOM 35579 C C . ASN A 1 8 ? -19.749 -3.270 5.096 1.00 0.00 ? 8 ASN A C 26 ATOM 35580 O O . ASN A 1 8 ? -18.606 -3.609 5.408 1.00 0.00 ? 8 ASN A O 26 ATOM 35581 C CB . ASN A 1 8 ? -21.739 -3.699 6.551 1.00 0.00 ? 8 ASN A CB 26 ATOM 35582 C CG . ASN A 1 8 ? -22.406 -3.340 7.864 1.00 0.00 ? 8 ASN A CG 26 ATOM 35583 O OD1 . ASN A 1 8 ? -21.779 -3.373 8.923 1.00 0.00 ? 8 ASN A OD1 26 ATOM 35584 N ND2 . ASN A 1 8 ? -23.687 -2.993 7.801 1.00 0.00 ? 8 ASN A ND2 26 ATOM 35585 H H . ASN A 1 8 ? -22.322 -1.480 5.468 1.00 0.00 ? 8 ASN A H 26 ATOM 35586 H HA . ASN A 1 8 ? -20.125 -2.361 6.989 1.00 0.00 ? 8 ASN A HA 26 ATOM 35587 H HB2 . ASN A 1 8 ? -22.500 -3.770 5.789 1.00 0.00 ? 8 ASN A HB2 26 ATOM 35588 H HB3 . ASN A 1 8 ? -21.258 -4.660 6.664 1.00 0.00 ? 8 ASN A HB3 26 ATOM 35589 H HD21 . ASN A 1 8 ? -24.123 -2.989 6.924 1.00 0.00 ? 8 ASN A HD21 26 ATOM 35590 H HD22 . ASN A 1 8 ? -24.143 -2.754 8.636 1.00 0.00 ? 8 ASN A HD22 26 ATOM 35591 N N . GLU A 1 9 ? -20.230 -3.396 3.862 1.00 0.00 ? 9 GLU A N 26 ATOM 35592 C CA . GLU A 1 9 ? -19.419 -3.952 2.788 1.00 0.00 ? 9 GLU A CA 26 ATOM 35593 C C . GLU A 1 9 ? -18.169 -3.113 2.582 1.00 0.00 ? 9 GLU A C 26 ATOM 35594 O O . GLU A 1 9 ? -17.059 -3.643 2.534 1.00 0.00 ? 9 GLU A O 26 ATOM 35595 C CB . GLU A 1 9 ? -20.225 -4.029 1.490 1.00 0.00 ? 9 GLU A CB 26 ATOM 35596 C CG . GLU A 1 9 ? -21.008 -5.322 1.336 1.00 0.00 ? 9 GLU A CG 26 ATOM 35597 C CD . GLU A 1 9 ? -22.432 -5.206 1.847 1.00 0.00 ? 9 GLU A CD 26 ATOM 35598 O OE1 . GLU A 1 9 ? -23.257 -4.567 1.161 1.00 0.00 ? 9 GLU A OE1 26 ATOM 35599 O OE2 . GLU A 1 9 ? -22.721 -5.753 2.932 1.00 0.00 ? 9 GLU A OE2 26 ATOM 35600 H H . GLU A 1 9 ? -21.147 -3.102 3.670 1.00 0.00 ? 9 GLU A H 26 ATOM 35601 H HA . GLU A 1 9 ? -19.119 -4.946 3.080 1.00 0.00 ? 9 GLU A HA 26 ATOM 35602 H HB2 . GLU A 1 9 ? -20.923 -3.205 1.462 1.00 0.00 ? 9 GLU A HB2 26 ATOM 35603 H HB3 . GLU A 1 9 ? -19.547 -3.943 0.652 1.00 0.00 ? 9 GLU A HB3 26 ATOM 35604 H HG2 . GLU A 1 9 ? -21.038 -5.589 0.291 1.00 0.00 ? 9 GLU A HG2 26 ATOM 35605 H HG3 . GLU A 1 9 ? -20.505 -6.101 1.892 1.00 0.00 ? 9 GLU A HG3 26 ATOM 35606 N N . ILE A 1 10 ? -18.344 -1.799 2.483 1.00 0.00 ? 10 ILE A N 26 ATOM 35607 C CA . ILE A 1 10 ? -17.207 -0.913 2.309 1.00 0.00 ? 10 ILE A CA 26 ATOM 35608 C C . ILE A 1 10 ? -16.387 -0.842 3.594 1.00 0.00 ? 10 ILE A C 26 ATOM 35609 O O . ILE A 1 10 ? -15.248 -0.388 3.587 1.00 0.00 ? 10 ILE A O 26 ATOM 35610 C CB . ILE A 1 10 ? -17.630 0.500 1.872 1.00 0.00 ? 10 ILE A CB 26 ATOM 35611 C CG1 . ILE A 1 10 ? -18.537 1.151 2.916 1.00 0.00 ? 10 ILE A CG1 26 ATOM 35612 C CG2 . ILE A 1 10 ? -18.330 0.439 0.526 1.00 0.00 ? 10 ILE A CG2 26 ATOM 35613 C CD1 . ILE A 1 10 ? -19.121 2.471 2.456 1.00 0.00 ? 10 ILE A CD1 26 ATOM 35614 H H . ILE A 1 10 ? -19.247 -1.422 2.546 1.00 0.00 ? 10 ILE A H 26 ATOM 35615 H HA . ILE A 1 10 ? -16.585 -1.333 1.531 1.00 0.00 ? 10 ILE A HA 26 ATOM 35616 H HB . ILE A 1 10 ? -16.737 1.098 1.758 1.00 0.00 ? 10 ILE A HB 26 ATOM 35617 H HG12 . ILE A 1 10 ? -19.354 0.483 3.139 1.00 0.00 ? 10 ILE A HG12 26 ATOM 35618 H HG13 . ILE A 1 10 ? -17.968 1.333 3.816 1.00 0.00 ? 10 ILE A HG13 26 ATOM 35619 H HG21 . ILE A 1 10 ? -17.801 -0.243 -0.125 1.00 0.00 ? 10 ILE A HG21 26 ATOM 35620 H HG22 . ILE A 1 10 ? -19.344 0.092 0.663 1.00 0.00 ? 10 ILE A HG22 26 ATOM 35621 H HG23 . ILE A 1 10 ? -18.344 1.423 0.082 1.00 0.00 ? 10 ILE A HG23 26 ATOM 35622 H HD11 . ILE A 1 10 ? -18.851 2.642 1.421 1.00 0.00 ? 10 ILE A HD11 26 ATOM 35623 H HD12 . ILE A 1 10 ? -20.196 2.440 2.546 1.00 0.00 ? 10 ILE A HD12 26 ATOM 35624 H HD13 . ILE A 1 10 ? -18.731 3.270 3.067 1.00 0.00 ? 10 ILE A HD13 26 ATOM 35625 N N . SER A 1 11 ? -16.953 -1.327 4.696 1.00 0.00 ? 11 SER A N 26 ATOM 35626 C CA . SER A 1 11 ? -16.234 -1.342 5.957 1.00 0.00 ? 11 SER A CA 26 ATOM 35627 C C . SER A 1 11 ? -15.097 -2.349 5.856 1.00 0.00 ? 11 SER A C 26 ATOM 35628 O O . SER A 1 11 ? -13.971 -2.092 6.294 1.00 0.00 ? 11 SER A O 26 ATOM 35629 C CB . SER A 1 11 ? -17.169 -1.707 7.111 1.00 0.00 ? 11 SER A CB 26 ATOM 35630 O OG . SER A 1 11 ? -17.200 -3.108 7.322 1.00 0.00 ? 11 SER A OG 26 ATOM 35631 H H . SER A 1 11 ? -17.854 -1.703 4.656 1.00 0.00 ? 11 SER A H 26 ATOM 35632 H HA . SER A 1 11 ? -15.822 -0.357 6.123 1.00 0.00 ? 11 SER A HA 26 ATOM 35633 H HB2 . SER A 1 11 ? -16.826 -1.227 8.016 1.00 0.00 ? 11 SER A HB2 26 ATOM 35634 H HB3 . SER A 1 11 ? -18.169 -1.368 6.882 1.00 0.00 ? 11 SER A HB3 26 ATOM 35635 H HG . SER A 1 11 ? -18.049 -3.358 7.694 1.00 0.00 ? 11 SER A HG 26 ATOM 35636 N N . HIS A 1 12 ? -15.397 -3.493 5.243 1.00 0.00 ? 12 HIS A N 26 ATOM 35637 C CA . HIS A 1 12 ? -14.401 -4.536 5.051 1.00 0.00 ? 12 HIS A CA 26 ATOM 35638 C C . HIS A 1 12 ? -13.352 -4.064 4.037 1.00 0.00 ? 12 HIS A C 26 ATOM 35639 O O . HIS A 1 12 ? -12.150 -4.221 4.253 1.00 0.00 ? 12 HIS A O 26 ATOM 35640 C CB . HIS A 1 12 ? -15.099 -5.851 4.624 1.00 0.00 ? 12 HIS A CB 26 ATOM 35641 C CG . HIS A 1 12 ? -14.560 -6.510 3.384 1.00 0.00 ? 12 HIS A CG 26 ATOM 35642 N ND1 . HIS A 1 12 ? -13.356 -7.184 3.350 1.00 0.00 ? 12 HIS A ND1 26 ATOM 35643 C CD2 . HIS A 1 12 ? -15.073 -6.594 2.135 1.00 0.00 ? 12 HIS A CD2 26 ATOM 35644 C CE1 . HIS A 1 12 ? -13.152 -7.653 2.131 1.00 0.00 ? 12 HIS A CE1 26 ATOM 35645 N NE2 . HIS A 1 12 ? -14.179 -7.309 1.377 1.00 0.00 ? 12 HIS A NE2 26 ATOM 35646 H H . HIS A 1 12 ? -16.311 -3.630 4.896 1.00 0.00 ? 12 HIS A H 26 ATOM 35647 H HA . HIS A 1 12 ? -13.910 -4.694 6.001 1.00 0.00 ? 12 HIS A HA 26 ATOM 35648 H HB2 . HIS A 1 12 ? -15.013 -6.563 5.429 1.00 0.00 ? 12 HIS A HB2 26 ATOM 35649 H HB3 . HIS A 1 12 ? -16.147 -5.644 4.457 1.00 0.00 ? 12 HIS A HB3 26 ATOM 35650 H HD1 . HIS A 1 12 ? -12.744 -7.301 4.106 1.00 0.00 ? 12 HIS A HD1 26 ATOM 35651 H HD2 . HIS A 1 12 ? -16.011 -6.175 1.798 1.00 0.00 ? 12 HIS A HD2 26 ATOM 35652 H HE1 . HIS A 1 12 ? -12.292 -8.221 1.809 1.00 0.00 ? 12 HIS A HE1 26 ATOM 35653 H HE2 . HIS A 1 12 ? -14.283 -7.529 0.427 1.00 0.00 ? 12 HIS A HE2 26 ATOM 35654 N N . HIS A 1 13 ? -13.818 -3.471 2.939 1.00 0.00 ? 13 HIS A N 26 ATOM 35655 C CA . HIS A 1 13 ? -12.917 -2.965 1.910 1.00 0.00 ? 13 HIS A CA 26 ATOM 35656 C C . HIS A 1 13 ? -12.000 -1.900 2.491 1.00 0.00 ? 13 HIS A C 26 ATOM 35657 O O . HIS A 1 13 ? -10.885 -1.702 2.015 1.00 0.00 ? 13 HIS A O 26 ATOM 35658 C CB . HIS A 1 13 ? -13.697 -2.369 0.739 1.00 0.00 ? 13 HIS A CB 26 ATOM 35659 C CG . HIS A 1 13 ? -14.731 -3.280 0.166 1.00 0.00 ? 13 HIS A CG 26 ATOM 35660 N ND1 . HIS A 1 13 ? -14.627 -4.655 0.183 1.00 0.00 ? 13 HIS A ND1 26 ATOM 35661 C CD2 . HIS A 1 13 ? -15.899 -2.999 -0.451 1.00 0.00 ? 13 HIS A CD2 26 ATOM 35662 C CE1 . HIS A 1 13 ? -15.690 -5.180 -0.401 1.00 0.00 ? 13 HIS A CE1 26 ATOM 35663 N NE2 . HIS A 1 13 ? -16.477 -4.196 -0.794 1.00 0.00 ? 13 HIS A NE2 26 ATOM 35664 H H . HIS A 1 13 ? -14.787 -3.362 2.824 1.00 0.00 ? 13 HIS A H 26 ATOM 35665 H HA . HIS A 1 13 ? -12.318 -3.789 1.554 1.00 0.00 ? 13 HIS A HA 26 ATOM 35666 H HB2 . HIS A 1 13 ? -14.197 -1.473 1.071 1.00 0.00 ? 13 HIS A HB2 26 ATOM 35667 H HB3 . HIS A 1 13 ? -13.005 -2.115 -0.050 1.00 0.00 ? 13 HIS A HB3 26 ATOM 35668 H HD1 . HIS A 1 13 ? -13.883 -5.167 0.563 1.00 0.00 ? 13 HIS A HD1 26 ATOM 35669 H HD2 . HIS A 1 13 ? -16.298 -2.012 -0.640 1.00 0.00 ? 13 HIS A HD2 26 ATOM 35670 H HE1 . HIS A 1 13 ? -15.882 -6.235 -0.533 1.00 0.00 ? 13 HIS A HE1 26 ATOM 35671 H HE2 . HIS A 1 13 ? -17.335 -4.305 -1.256 1.00 0.00 ? 13 HIS A HE2 26 ATOM 35672 N N . ALA A 1 14 ? -12.477 -1.219 3.528 1.00 0.00 ? 14 ALA A N 26 ATOM 35673 C CA . ALA A 1 14 ? -11.694 -0.180 4.179 1.00 0.00 ? 14 ALA A CA 26 ATOM 35674 C C . ALA A 1 14 ? -10.495 -0.797 4.874 1.00 0.00 ? 14 ALA A C 26 ATOM 35675 O O . ALA A 1 14 ? -9.367 -0.336 4.715 1.00 0.00 ? 14 ALA A O 26 ATOM 35676 C CB . ALA A 1 14 ? -12.551 0.596 5.168 1.00 0.00 ? 14 ALA A CB 26 ATOM 35677 H H . ALA A 1 14 ? -13.372 -1.428 3.866 1.00 0.00 ? 14 ALA A H 26 ATOM 35678 H HA . ALA A 1 14 ? -11.345 0.502 3.417 1.00 0.00 ? 14 ALA A HA 26 ATOM 35679 H HB1 . ALA A 1 14 ? -12.055 0.628 6.127 1.00 0.00 ? 14 ALA A HB1 26 ATOM 35680 H HB2 . ALA A 1 14 ? -13.509 0.109 5.274 1.00 0.00 ? 14 ALA A HB2 26 ATOM 35681 H HB3 . ALA A 1 14 ? -12.697 1.602 4.805 1.00 0.00 ? 14 ALA A HB3 26 ATOM 35682 N N . LYS A 1 15 ? -10.746 -1.861 5.626 1.00 0.00 ? 15 LYS A N 26 ATOM 35683 C CA . LYS A 1 15 ? -9.676 -2.558 6.321 1.00 0.00 ? 15 LYS A CA 26 ATOM 35684 C C . LYS A 1 15 ? -8.751 -3.246 5.315 1.00 0.00 ? 15 LYS A C 26 ATOM 35685 O O . LYS A 1 15 ? -7.626 -3.618 5.648 1.00 0.00 ? 15 LYS A O 26 ATOM 35686 C CB . LYS A 1 15 ? -10.253 -3.589 7.293 1.00 0.00 ? 15 LYS A CB 26 ATOM 35687 C CG . LYS A 1 15 ? -10.808 -2.977 8.568 1.00 0.00 ? 15 LYS A CG 26 ATOM 35688 C CD . LYS A 1 15 ? -12.088 -3.668 9.007 1.00 0.00 ? 15 LYS A CD 26 ATOM 35689 C CE . LYS A 1 15 ? -11.823 -4.687 10.104 1.00 0.00 ? 15 LYS A CE 26 ATOM 35690 N NZ . LYS A 1 15 ? -12.350 -6.035 9.750 1.00 0.00 ? 15 LYS A NZ 26 ATOM 35691 H H . LYS A 1 15 ? -11.668 -2.193 5.701 1.00 0.00 ? 15 LYS A H 26 ATOM 35692 H HA . LYS A 1 15 ? -9.106 -1.828 6.875 1.00 0.00 ? 15 LYS A HA 26 ATOM 35693 H HB2 . LYS A 1 15 ? -11.051 -4.125 6.800 1.00 0.00 ? 15 LYS A HB2 26 ATOM 35694 H HB3 . LYS A 1 15 ? -9.475 -4.288 7.563 1.00 0.00 ? 15 LYS A HB3 26 ATOM 35695 H HG2 . LYS A 1 15 ? -10.072 -3.073 9.353 1.00 0.00 ? 15 LYS A HG2 26 ATOM 35696 H HG3 . LYS A 1 15 ? -11.015 -1.931 8.394 1.00 0.00 ? 15 LYS A HG3 26 ATOM 35697 H HD2 . LYS A 1 15 ? -12.778 -2.925 9.380 1.00 0.00 ? 15 LYS A HD2 26 ATOM 35698 H HD3 . LYS A 1 15 ? -12.524 -4.172 8.157 1.00 0.00 ? 15 LYS A HD3 26 ATOM 35699 H HE2 . LYS A 1 15 ? -10.758 -4.758 10.262 1.00 0.00 ? 15 LYS A HE2 26 ATOM 35700 H HE3 . LYS A 1 15 ? -12.300 -4.351 11.012 1.00 0.00 ? 15 LYS A HE3 26 ATOM 35701 H HZ1 . LYS A 1 15 ? -12.826 -6.001 8.825 1.00 0.00 ? 15 LYS A HZ1 26 ATOM 35702 H HZ2 . LYS A 1 15 ? -11.570 -6.721 9.700 1.00 0.00 ? 15 LYS A HZ2 26 ATOM 35703 H HZ3 . LYS A 1 15 ? -13.033 -6.351 10.467 1.00 0.00 ? 15 LYS A HZ3 26 ATOM 35704 N N . GLU A 1 16 ? -9.236 -3.416 4.082 1.00 0.00 ? 16 GLU A N 26 ATOM 35705 C CA . GLU A 1 16 ? -8.456 -4.061 3.031 1.00 0.00 ? 16 GLU A CA 26 ATOM 35706 C C . GLU A 1 16 ? -7.401 -3.115 2.458 1.00 0.00 ? 16 GLU A C 26 ATOM 35707 O O . GLU A 1 16 ? -6.239 -3.493 2.312 1.00 0.00 ? 16 GLU A O 26 ATOM 35708 C CB . GLU A 1 16 ? -9.377 -4.553 1.914 1.00 0.00 ? 16 GLU A CB 26 ATOM 35709 C CG . GLU A 1 16 ? -10.306 -5.677 2.343 1.00 0.00 ? 16 GLU A CG 26 ATOM 35710 C CD . GLU A 1 16 ? -9.651 -7.042 2.246 1.00 0.00 ? 16 GLU A CD 26 ATOM 35711 O OE1 . GLU A 1 16 ? -9.081 -7.353 1.180 1.00 0.00 ? 16 GLU A OE1 26 ATOM 35712 O OE2 . GLU A 1 16 ? -9.710 -7.800 3.237 1.00 0.00 ? 16 GLU A OE2 26 ATOM 35713 H H . GLU A 1 16 ? -10.140 -3.106 3.874 1.00 0.00 ? 16 GLU A H 26 ATOM 35714 H HA . GLU A 1 16 ? -7.955 -4.910 3.470 1.00 0.00 ? 16 GLU A HA 26 ATOM 35715 H HB2 . GLU A 1 16 ? -9.982 -3.726 1.572 1.00 0.00 ? 16 GLU A HB2 26 ATOM 35716 H HB3 . GLU A 1 16 ? -8.771 -4.908 1.094 1.00 0.00 ? 16 GLU A HB3 26 ATOM 35717 H HG2 . GLU A 1 16 ? -10.603 -5.511 3.367 1.00 0.00 ? 16 GLU A HG2 26 ATOM 35718 H HG3 . GLU A 1 16 ? -11.179 -5.668 1.708 1.00 0.00 ? 16 GLU A HG3 26 ATOM 35719 N N . ILE A 1 17 ? -7.803 -1.887 2.130 1.00 0.00 ? 17 ILE A N 26 ATOM 35720 C CA . ILE A 1 17 ? -6.871 -0.912 1.575 1.00 0.00 ? 17 ILE A CA 26 ATOM 35721 C C . ILE A 1 17 ? -5.936 -0.384 2.659 1.00 0.00 ? 17 ILE A C 26 ATOM 35722 O O . ILE A 1 17 ? -4.800 0.001 2.382 1.00 0.00 ? 17 ILE A O 26 ATOM 35723 C CB . ILE A 1 17 ? -7.613 0.269 0.916 1.00 0.00 ? 17 ILE A CB 26 ATOM 35724 C CG1 . ILE A 1 17 ? -6.613 1.293 0.370 1.00 0.00 ? 17 ILE A CG1 26 ATOM 35725 C CG2 . ILE A 1 17 ? -8.564 0.921 1.909 1.00 0.00 ? 17 ILE A CG2 26 ATOM 35726 C CD1 . ILE A 1 17 ? -7.258 2.575 -0.111 1.00 0.00 ? 17 ILE A CD1 26 ATOM 35727 H H . ILE A 1 17 ? -8.743 -1.631 2.266 1.00 0.00 ? 17 ILE A H 26 ATOM 35728 H HA . ILE A 1 17 ? -6.277 -1.408 0.816 1.00 0.00 ? 17 ILE A HA 26 ATOM 35729 H HB . ILE A 1 17 ? -8.201 -0.118 0.098 1.00 0.00 ? 17 ILE A HB 26 ATOM 35730 H HG12 . ILE A 1 17 ? -5.909 1.548 1.147 1.00 0.00 ? 17 ILE A HG12 26 ATOM 35731 H HG13 . ILE A 1 17 ? -6.082 0.855 -0.463 1.00 0.00 ? 17 ILE A HG13 26 ATOM 35732 H HG21 . ILE A 1 17 ? -8.491 0.417 2.861 1.00 0.00 ? 17 ILE A HG21 26 ATOM 35733 H HG22 . ILE A 1 17 ? -8.300 1.961 2.030 1.00 0.00 ? 17 ILE A HG22 26 ATOM 35734 H HG23 . ILE A 1 17 ? -9.576 0.848 1.538 1.00 0.00 ? 17 ILE A HG23 26 ATOM 35735 H HD11 . ILE A 1 17 ? -8.184 2.346 -0.614 1.00 0.00 ? 17 ILE A HD11 26 ATOM 35736 H HD12 . ILE A 1 17 ? -7.456 3.216 0.735 1.00 0.00 ? 17 ILE A HD12 26 ATOM 35737 H HD13 . ILE A 1 17 ? -6.591 3.079 -0.795 1.00 0.00 ? 17 ILE A HD13 26 ATOM 35738 N N . GLU A 1 18 ? -6.419 -0.383 3.896 1.00 0.00 ? 18 GLU A N 26 ATOM 35739 C CA . GLU A 1 18 ? -5.626 0.082 5.025 1.00 0.00 ? 18 GLU A CA 26 ATOM 35740 C C . GLU A 1 18 ? -4.647 -1.001 5.463 1.00 0.00 ? 18 GLU A C 26 ATOM 35741 O O . GLU A 1 18 ? -3.544 -0.708 5.927 1.00 0.00 ? 18 GLU A O 26 ATOM 35742 C CB . GLU A 1 18 ? -6.533 0.473 6.193 1.00 0.00 ? 18 GLU A CB 26 ATOM 35743 C CG . GLU A 1 18 ? -5.991 1.622 7.027 1.00 0.00 ? 18 GLU A CG 26 ATOM 35744 C CD . GLU A 1 18 ? -5.398 1.158 8.344 1.00 0.00 ? 18 GLU A CD 26 ATOM 35745 O OE1 . GLU A 1 18 ? -6.179 0.851 9.269 1.00 0.00 ? 18 GLU A OE1 26 ATOM 35746 O OE2 . GLU A 1 18 ? -4.155 1.101 8.448 1.00 0.00 ? 18 GLU A OE2 26 ATOM 35747 H H . GLU A 1 18 ? -7.328 -0.712 4.056 1.00 0.00 ? 18 GLU A H 26 ATOM 35748 H HA . GLU A 1 18 ? -5.068 0.950 4.705 1.00 0.00 ? 18 GLU A HA 26 ATOM 35749 H HB2 . GLU A 1 18 ? -7.497 0.763 5.803 1.00 0.00 ? 18 GLU A HB2 26 ATOM 35750 H HB3 . GLU A 1 18 ? -6.658 -0.384 6.838 1.00 0.00 ? 18 GLU A HB3 26 ATOM 35751 H HG2 . GLU A 1 18 ? -5.221 2.127 6.462 1.00 0.00 ? 18 GLU A HG2 26 ATOM 35752 H HG3 . GLU A 1 18 ? -6.796 2.311 7.233 1.00 0.00 ? 18 GLU A HG3 26 ATOM 35753 N N . ARG A 1 19 ? -5.058 -2.254 5.303 1.00 0.00 ? 19 ARG A N 26 ATOM 35754 C CA . ARG A 1 19 ? -4.219 -3.386 5.671 1.00 0.00 ? 19 ARG A CA 26 ATOM 35755 C C . ARG A 1 19 ? -3.038 -3.509 4.716 1.00 0.00 ? 19 ARG A C 26 ATOM 35756 O O . ARG A 1 19 ? -1.897 -3.701 5.141 1.00 0.00 ? 19 ARG A O 26 ATOM 35757 C CB . ARG A 1 19 ? -5.036 -4.679 5.664 1.00 0.00 ? 19 ARG A CB 26 ATOM 35758 C CG . ARG A 1 19 ? -4.214 -5.920 5.973 1.00 0.00 ? 19 ARG A CG 26 ATOM 35759 C CD . ARG A 1 19 ? -4.870 -7.174 5.418 1.00 0.00 ? 19 ARG A CD 26 ATOM 35760 N NE . ARG A 1 19 ? -4.230 -8.391 5.911 1.00 0.00 ? 19 ARG A NE 26 ATOM 35761 C CZ . ARG A 1 19 ? -4.482 -9.602 5.425 1.00 0.00 ? 19 ARG A CZ 26 ATOM 35762 N NH1 . ARG A 1 19 ? -5.354 -9.755 4.439 1.00 0.00 ? 19 ARG A NH1 26 ATOM 35763 N NH2 . ARG A 1 19 ? -3.860 -10.661 5.926 1.00 0.00 ? 19 ARG A NH2 26 ATOM 35764 H H . ARG A 1 19 ? -5.945 -2.422 4.921 1.00 0.00 ? 19 ARG A H 26 ATOM 35765 H HA . ARG A 1 19 ? -3.844 -3.211 6.670 1.00 0.00 ? 19 ARG A HA 26 ATOM 35766 H HB2 . ARG A 1 19 ? -5.820 -4.600 6.402 1.00 0.00 ? 19 ARG A HB2 26 ATOM 35767 H HB3 . ARG A 1 19 ? -5.482 -4.804 4.689 1.00 0.00 ? 19 ARG A HB3 26 ATOM 35768 H HG2 . ARG A 1 19 ? -3.236 -5.812 5.530 1.00 0.00 ? 19 ARG A HG2 26 ATOM 35769 H HG3 . ARG A 1 19 ? -4.117 -6.018 7.045 1.00 0.00 ? 19 ARG A HG3 26 ATOM 35770 H HD2 . ARG A 1 19 ? -5.909 -7.181 5.712 1.00 0.00 ? 19 ARG A HD2 26 ATOM 35771 H HD3 . ARG A 1 19 ? -4.802 -7.153 4.341 1.00 0.00 ? 19 ARG A HD3 26 ATOM 35772 H HE . ARG A 1 19 ? -3.583 -8.300 6.640 1.00 0.00 ? 19 ARG A HE 26 ATOM 35773 H HH11 . ARG A 1 19 ? -5.825 -8.958 4.060 1.00 0.00 ? 19 ARG A HH11 26 ATOM 35774 H HH12 . ARG A 1 19 ? -5.542 -10.667 4.074 1.00 0.00 ? 19 ARG A HH12 26 ATOM 35775 H HH21 . ARG A 1 19 ? -3.201 -10.549 6.670 1.00 0.00 ? 19 ARG A HH21 26 ATOM 35776 H HH22 . ARG A 1 19 ? -4.051 -11.572 5.559 1.00 0.00 ? 19 ARG A HH22 26 ATOM 35777 N N . LEU A 1 20 ? -3.316 -3.383 3.420 1.00 0.00 ? 20 LEU A N 26 ATOM 35778 C CA . LEU A 1 20 ? -2.269 -3.471 2.417 1.00 0.00 ? 20 LEU A CA 26 ATOM 35779 C C . LEU A 1 20 ? -1.310 -2.299 2.558 1.00 0.00 ? 20 LEU A C 26 ATOM 35780 O O . LEU A 1 20 ? -0.101 -2.451 2.397 1.00 0.00 ? 20 LEU A O 26 ATOM 35781 C CB . LEU A 1 20 ? -2.875 -3.494 1.013 1.00 0.00 ? 20 LEU A CB 26 ATOM 35782 C CG . LEU A 1 20 ? -3.985 -4.526 0.805 1.00 0.00 ? 20 LEU A CG 26 ATOM 35783 C CD1 . LEU A 1 20 ? -5.004 -4.018 -0.203 1.00 0.00 ? 20 LEU A CD1 26 ATOM 35784 C CD2 . LEU A 1 20 ? -3.398 -5.852 0.349 1.00 0.00 ? 20 LEU A CD2 26 ATOM 35785 H H . LEU A 1 20 ? -4.241 -3.218 3.135 1.00 0.00 ? 20 LEU A H 26 ATOM 35786 H HA . LEU A 1 20 ? -1.726 -4.390 2.583 1.00 0.00 ? 20 LEU A HA 26 ATOM 35787 H HB2 . LEU A 1 20 ? -3.278 -2.514 0.802 1.00 0.00 ? 20 LEU A HB2 26 ATOM 35788 H HB3 . LEU A 1 20 ? -2.086 -3.701 0.308 1.00 0.00 ? 20 LEU A HB3 26 ATOM 35789 H HG . LEU A 1 20 ? -4.496 -4.690 1.742 1.00 0.00 ? 20 LEU A HG 26 ATOM 35790 H HD11 . LEU A 1 20 ? -5.381 -3.058 0.118 1.00 0.00 ? 20 LEU A HD11 26 ATOM 35791 H HD12 . LEU A 1 20 ? -4.535 -3.916 -1.170 1.00 0.00 ? 20 LEU A HD12 26 ATOM 35792 H HD13 . LEU A 1 20 ? -5.822 -4.720 -0.272 1.00 0.00 ? 20 LEU A HD13 26 ATOM 35793 H HD21 . LEU A 1 20 ? -2.416 -5.687 -0.070 1.00 0.00 ? 20 LEU A HD21 26 ATOM 35794 H HD22 . LEU A 1 20 ? -3.322 -6.522 1.193 1.00 0.00 ? 20 LEU A HD22 26 ATOM 35795 H HD23 . LEU A 1 20 ? -4.039 -6.292 -0.401 1.00 0.00 ? 20 LEU A HD23 26 ATOM 35796 N N . GLN A 1 21 ? -1.862 -1.129 2.867 1.00 0.00 ? 21 GLN A N 26 ATOM 35797 C CA . GLN A 1 21 ? -1.057 0.074 3.039 1.00 0.00 ? 21 GLN A CA 26 ATOM 35798 C C . GLN A 1 21 ? -0.082 -0.096 4.198 1.00 0.00 ? 21 GLN A C 26 ATOM 35799 O O . GLN A 1 21 ? 1.037 0.415 4.162 1.00 0.00 ? 21 GLN A O 26 ATOM 35800 C CB . GLN A 1 21 ? -1.958 1.286 3.285 1.00 0.00 ? 21 GLN A CB 26 ATOM 35801 C CG . GLN A 1 21 ? -1.193 2.554 3.624 1.00 0.00 ? 21 GLN A CG 26 ATOM 35802 C CD . GLN A 1 21 ? -2.106 3.688 4.051 1.00 0.00 ? 21 GLN A CD 26 ATOM 35803 O OE1 . GLN A 1 21 ? -2.013 4.802 3.536 1.00 0.00 ? 21 GLN A OE1 26 ATOM 35804 N NE2 . GLN A 1 21 ? -2.994 3.409 4.998 1.00 0.00 ? 21 GLN A NE2 26 ATOM 35805 H H . GLN A 1 21 ? -2.834 -1.074 2.986 1.00 0.00 ? 21 GLN A H 26 ATOM 35806 H HA . GLN A 1 21 ? -0.495 0.230 2.131 1.00 0.00 ? 21 GLN A HA 26 ATOM 35807 H HB2 . GLN A 1 21 ? -2.543 1.471 2.396 1.00 0.00 ? 21 GLN A HB2 26 ATOM 35808 H HB3 . GLN A 1 21 ? -2.625 1.063 4.104 1.00 0.00 ? 21 GLN A HB3 26 ATOM 35809 H HG2 . GLN A 1 21 ? -0.508 2.341 4.431 1.00 0.00 ? 21 GLN A HG2 26 ATOM 35810 H HG3 . GLN A 1 21 ? -0.637 2.868 2.753 1.00 0.00 ? 21 GLN A HG3 26 ATOM 35811 H HE21 . GLN A 1 21 ? -3.012 2.500 5.363 1.00 0.00 ? 21 GLN A HE21 26 ATOM 35812 H HE22 . GLN A 1 21 ? -3.596 4.123 5.292 1.00 0.00 ? 21 GLN A HE22 26 ATOM 35813 N N . LYS A 1 22 ? -0.512 -0.825 5.223 1.00 0.00 ? 22 LYS A N 26 ATOM 35814 C CA . LYS A 1 22 ? 0.330 -1.070 6.387 1.00 0.00 ? 22 LYS A CA 26 ATOM 35815 C C . LYS A 1 22 ? 1.560 -1.877 5.993 1.00 0.00 ? 22 LYS A C 26 ATOM 35816 O O . LYS A 1 22 ? 2.692 -1.507 6.311 1.00 0.00 ? 22 LYS A O 26 ATOM 35817 C CB . LYS A 1 22 ? -0.459 -1.812 7.468 1.00 0.00 ? 22 LYS A CB 26 ATOM 35818 C CG . LYS A 1 22 ? 0.307 -1.986 8.769 1.00 0.00 ? 22 LYS A CG 26 ATOM 35819 C CD . LYS A 1 22 ? 0.018 -3.335 9.409 1.00 0.00 ? 22 LYS A CD 26 ATOM 35820 C CE . LYS A 1 22 ? -1.467 -3.511 9.689 1.00 0.00 ? 22 LYS A CE 26 ATOM 35821 N NZ . LYS A 1 22 ? -1.715 -4.522 10.754 1.00 0.00 ? 22 LYS A NZ 26 ATOM 35822 H H . LYS A 1 22 ? -1.413 -1.211 5.193 1.00 0.00 ? 22 LYS A H 26 ATOM 35823 H HA . LYS A 1 22 ? 0.647 -0.113 6.775 1.00 0.00 ? 22 LYS A HA 26 ATOM 35824 H HB2 . LYS A 1 22 ? -1.364 -1.260 7.680 1.00 0.00 ? 22 LYS A HB2 26 ATOM 35825 H HB3 . LYS A 1 22 ? -0.724 -2.790 7.097 1.00 0.00 ? 22 LYS A HB3 26 ATOM 35826 H HG2 . LYS A 1 22 ? 1.365 -1.917 8.564 1.00 0.00 ? 22 LYS A HG2 26 ATOM 35827 H HG3 . LYS A 1 22 ? 0.019 -1.203 9.454 1.00 0.00 ? 22 LYS A HG3 26 ATOM 35828 H HD2 . LYS A 1 22 ? 0.343 -4.117 8.741 1.00 0.00 ? 22 LYS A HD2 26 ATOM 35829 H HD3 . LYS A 1 22 ? 0.561 -3.404 10.341 1.00 0.00 ? 22 LYS A HD3 26 ATOM 35830 H HE2 . LYS A 1 22 ? -1.877 -2.563 10.003 1.00 0.00 ? 22 LYS A HE2 26 ATOM 35831 H HE3 . LYS A 1 22 ? -1.956 -3.830 8.780 1.00 0.00 ? 22 LYS A HE3 26 ATOM 35832 H HZ1 . LYS A 1 22 ? -1.303 -5.438 10.481 1.00 0.00 ? 22 LYS A HZ1 26 ATOM 35833 H HZ2 . LYS A 1 22 ? -1.283 -4.213 11.648 1.00 0.00 ? 22 LYS A HZ2 26 ATOM 35834 H HZ3 . LYS A 1 22 ? -2.737 -4.644 10.899 1.00 0.00 ? 22 LYS A HZ3 26 ATOM 35835 N N . GLU A 1 23 ? 1.332 -2.983 5.291 1.00 0.00 ? 23 GLU A N 26 ATOM 35836 C CA . GLU A 1 23 ? 2.423 -3.842 4.846 1.00 0.00 ? 23 GLU A CA 26 ATOM 35837 C C . GLU A 1 23 ? 3.428 -3.054 4.010 1.00 0.00 ? 23 GLU A C 26 ATOM 35838 O O . GLU A 1 23 ? 4.642 -3.203 4.170 1.00 0.00 ? 23 GLU A O 26 ATOM 35839 C CB . GLU A 1 23 ? 1.876 -5.018 4.033 1.00 0.00 ? 23 GLU A CB 26 ATOM 35840 C CG . GLU A 1 23 ? 2.886 -6.134 3.822 1.00 0.00 ? 23 GLU A CG 26 ATOM 35841 C CD . GLU A 1 23 ? 2.949 -7.092 4.995 1.00 0.00 ? 23 GLU A CD 26 ATOM 35842 O OE1 . GLU A 1 23 ? 2.081 -7.986 5.079 1.00 0.00 ? 23 GLU A OE1 26 ATOM 35843 O OE2 . GLU A 1 23 ? 3.867 -6.950 5.830 1.00 0.00 ? 23 GLU A OE2 26 ATOM 35844 H H . GLU A 1 23 ? 0.407 -3.225 5.064 1.00 0.00 ? 23 GLU A H 26 ATOM 35845 H HA . GLU A 1 23 ? 2.924 -4.224 5.723 1.00 0.00 ? 23 GLU A HA 26 ATOM 35846 H HB2 . GLU A 1 23 ? 1.020 -5.429 4.549 1.00 0.00 ? 23 GLU A HB2 26 ATOM 35847 H HB3 . GLU A 1 23 ? 1.563 -4.657 3.065 1.00 0.00 ? 23 GLU A HB3 26 ATOM 35848 H HG2 . GLU A 1 23 ? 2.611 -6.689 2.939 1.00 0.00 ? 23 GLU A HG2 26 ATOM 35849 H HG3 . GLU A 1 23 ? 3.863 -5.695 3.681 1.00 0.00 ? 23 GLU A HG3 26 ATOM 35850 N N . ILE A 1 24 ? 2.916 -2.208 3.120 1.00 0.00 ? 24 ILE A N 26 ATOM 35851 C CA . ILE A 1 24 ? 3.779 -1.396 2.269 1.00 0.00 ? 24 ILE A CA 26 ATOM 35852 C C . ILE A 1 24 ? 4.587 -0.426 3.127 1.00 0.00 ? 24 ILE A C 26 ATOM 35853 O O . ILE A 1 24 ? 5.709 -0.059 2.784 1.00 0.00 ? 24 ILE A O 26 ATOM 35854 C CB . ILE A 1 24 ? 2.978 -0.636 1.162 1.00 0.00 ? 24 ILE A CB 26 ATOM 35855 C CG1 . ILE A 1 24 ? 2.560 0.777 1.596 1.00 0.00 ? 24 ILE A CG1 26 ATOM 35856 C CG2 . ILE A 1 24 ? 1.750 -1.430 0.742 1.00 0.00 ? 24 ILE A CG2 26 ATOM 35857 C CD1 . ILE A 1 24 ? 3.475 1.856 1.062 1.00 0.00 ? 24 ILE A CD1 26 ATOM 35858 H H . ILE A 1 24 ? 1.945 -2.124 3.043 1.00 0.00 ? 24 ILE A H 26 ATOM 35859 H HA . ILE A 1 24 ? 4.469 -2.070 1.775 1.00 0.00 ? 24 ILE A HA 26 ATOM 35860 H HB . ILE A 1 24 ? 3.620 -0.554 0.296 1.00 0.00 ? 24 ILE A HB 26 ATOM 35861 H HG12 . ILE A 1 24 ? 1.562 0.979 1.234 1.00 0.00 ? 24 ILE A HG12 26 ATOM 35862 H HG13 . ILE A 1 24 ? 2.568 0.836 2.674 1.00 0.00 ? 24 ILE A HG13 26 ATOM 35863 H HG21 . ILE A 1 24 ? 1.820 -2.434 1.130 1.00 0.00 ? 24 ILE A HG21 26 ATOM 35864 H HG22 . ILE A 1 24 ? 0.864 -0.953 1.134 1.00 0.00 ? 24 ILE A HG22 26 ATOM 35865 H HG23 . ILE A 1 24 ? 1.696 -1.461 -0.332 1.00 0.00 ? 24 ILE A HG23 26 ATOM 35866 H HD11 . ILE A 1 24 ? 4.217 1.408 0.414 1.00 0.00 ? 24 ILE A HD11 26 ATOM 35867 H HD12 . ILE A 1 24 ? 2.896 2.576 0.503 1.00 0.00 ? 24 ILE A HD12 26 ATOM 35868 H HD13 . ILE A 1 24 ? 3.969 2.351 1.885 1.00 0.00 ? 24 ILE A HD13 26 ATOM 35869 N N . GLU A 1 25 ? 3.999 -0.027 4.254 1.00 0.00 ? 25 GLU A N 26 ATOM 35870 C CA . GLU A 1 25 ? 4.654 0.888 5.177 1.00 0.00 ? 25 GLU A CA 26 ATOM 35871 C C . GLU A 1 25 ? 5.944 0.272 5.697 1.00 0.00 ? 25 GLU A C 26 ATOM 35872 O O . GLU A 1 25 ? 6.989 0.919 5.720 1.00 0.00 ? 25 GLU A O 26 ATOM 35873 C CB . GLU A 1 25 ? 3.725 1.224 6.344 1.00 0.00 ? 25 GLU A CB 26 ATOM 35874 C CG . GLU A 1 25 ? 4.137 2.473 7.109 1.00 0.00 ? 25 GLU A CG 26 ATOM 35875 C CD . GLU A 1 25 ? 3.710 2.433 8.563 1.00 0.00 ? 25 GLU A CD 26 ATOM 35876 O OE1 . GLU A 1 25 ? 4.450 1.851 9.384 1.00 0.00 ? 25 GLU A OE1 26 ATOM 35877 O OE2 . GLU A 1 25 ? 2.636 2.985 8.882 1.00 0.00 ? 25 GLU A OE2 26 ATOM 35878 H H . GLU A 1 25 ? 3.105 -0.365 4.470 1.00 0.00 ? 25 GLU A H 26 ATOM 35879 H HA . GLU A 1 25 ? 4.888 1.793 4.638 1.00 0.00 ? 25 GLU A HA 26 ATOM 35880 H HB2 . GLU A 1 25 ? 2.726 1.376 5.964 1.00 0.00 ? 25 GLU A HB2 26 ATOM 35881 H HB3 . GLU A 1 25 ? 3.715 0.393 7.034 1.00 0.00 ? 25 GLU A HB3 26 ATOM 35882 H HG2 . GLU A 1 25 ? 5.212 2.566 7.068 1.00 0.00 ? 25 GLU A HG2 26 ATOM 35883 H HG3 . GLU A 1 25 ? 3.683 3.333 6.639 1.00 0.00 ? 25 GLU A HG3 26 ATOM 35884 N N . ARG A 1 26 ? 5.868 -0.990 6.100 1.00 0.00 ? 26 ARG A N 26 ATOM 35885 C CA . ARG A 1 26 ? 7.039 -1.694 6.602 1.00 0.00 ? 26 ARG A CA 26 ATOM 35886 C C . ARG A 1 26 ? 8.133 -1.711 5.541 1.00 0.00 ? 26 ARG A C 26 ATOM 35887 O O . ARG A 1 26 ? 9.301 -1.428 5.824 1.00 0.00 ? 26 ARG A O 26 ATOM 35888 C CB . ARG A 1 26 ? 6.672 -3.124 7.002 1.00 0.00 ? 26 ARG A CB 26 ATOM 35889 C CG . ARG A 1 26 ? 7.870 -3.974 7.392 1.00 0.00 ? 26 ARG A CG 26 ATOM 35890 C CD . ARG A 1 26 ? 7.513 -5.451 7.446 1.00 0.00 ? 26 ARG A CD 26 ATOM 35891 N NE . ARG A 1 26 ? 8.682 -6.288 7.698 1.00 0.00 ? 26 ARG A NE 26 ATOM 35892 C CZ . ARG A 1 26 ? 8.661 -7.616 7.650 1.00 0.00 ? 26 ARG A CZ 26 ATOM 35893 N NH1 . ARG A 1 26 ? 7.536 -8.254 7.359 1.00 0.00 ? 26 ARG A NH1 26 ATOM 35894 N NH2 . ARG A 1 26 ? 9.766 -8.307 7.893 1.00 0.00 ? 26 ARG A NH2 26 ATOM 35895 H H . ARG A 1 26 ? 5.009 -1.460 6.049 1.00 0.00 ? 26 ARG A H 26 ATOM 35896 H HA . ARG A 1 26 ? 7.401 -1.164 7.471 1.00 0.00 ? 26 ARG A HA 26 ATOM 35897 H HB2 . ARG A 1 26 ? 5.995 -3.088 7.842 1.00 0.00 ? 26 ARG A HB2 26 ATOM 35898 H HB3 . ARG A 1 26 ? 6.175 -3.601 6.170 1.00 0.00 ? 26 ARG A HB3 26 ATOM 35899 H HG2 . ARG A 1 26 ? 8.654 -3.830 6.664 1.00 0.00 ? 26 ARG A HG2 26 ATOM 35900 H HG3 . ARG A 1 26 ? 8.219 -3.662 8.366 1.00 0.00 ? 26 ARG A HG3 26 ATOM 35901 H HD2 . ARG A 1 26 ? 6.793 -5.606 8.236 1.00 0.00 ? 26 ARG A HD2 26 ATOM 35902 H HD3 . ARG A 1 26 ? 7.075 -5.736 6.500 1.00 0.00 ? 26 ARG A HD3 26 ATOM 35903 H HE . ARG A 1 26 ? 9.525 -5.837 7.916 1.00 0.00 ? 26 ARG A HE 26 ATOM 35904 H HH11 . ARG A 1 26 ? 6.700 -7.734 7.176 1.00 0.00 ? 26 ARG A HH11 26 ATOM 35905 H HH12 . ARG A 1 26 ? 7.522 -9.253 7.322 1.00 0.00 ? 26 ARG A HH12 26 ATOM 35906 H HH21 . ARG A 1 26 ? 10.617 -7.831 8.112 1.00 0.00 ? 26 ARG A HH21 26 ATOM 35907 H HH22 . ARG A 1 26 ? 9.749 -9.307 7.856 1.00 0.00 ? 26 ARG A HH22 26 ATOM 35908 N N . HIS A 1 27 ? 7.744 -2.034 4.310 1.00 0.00 ? 27 HIS A N 26 ATOM 35909 C CA . HIS A 1 27 ? 8.688 -2.077 3.203 1.00 0.00 ? 27 HIS A CA 26 ATOM 35910 C C . HIS A 1 27 ? 9.219 -0.683 2.883 1.00 0.00 ? 27 HIS A C 26 ATOM 35911 O O . HIS A 1 27 ? 10.282 -0.541 2.279 1.00 0.00 ? 27 HIS A O 26 ATOM 35912 C CB . HIS A 1 27 ? 8.028 -2.682 1.964 1.00 0.00 ? 27 HIS A CB 26 ATOM 35913 C CG . HIS A 1 27 ? 8.602 -4.007 1.568 1.00 0.00 ? 27 HIS A CG 26 ATOM 35914 N ND1 . HIS A 1 27 ? 9.902 -4.165 1.138 1.00 0.00 ? 27 HIS A ND1 26 ATOM 35915 C CD2 . HIS A 1 27 ? 8.046 -5.242 1.540 1.00 0.00 ? 27 HIS A CD2 26 ATOM 35916 C CE1 . HIS A 1 27 ? 10.121 -5.439 0.862 1.00 0.00 ? 27 HIS A CE1 26 ATOM 35917 N NE2 . HIS A 1 27 ? 9.011 -6.111 1.099 1.00 0.00 ? 27 HIS A NE2 26 ATOM 35918 H H . HIS A 1 27 ? 6.797 -2.240 4.140 1.00 0.00 ? 27 HIS A H 26 ATOM 35919 H HA . HIS A 1 27 ? 9.516 -2.704 3.500 1.00 0.00 ? 27 HIS A HA 26 ATOM 35920 H HB2 . HIS A 1 27 ? 6.974 -2.822 2.158 1.00 0.00 ? 27 HIS A HB2 26 ATOM 35921 H HB3 . HIS A 1 27 ? 8.149 -2.004 1.132 1.00 0.00 ? 27 HIS A HB3 26 ATOM 35922 H HD1 . HIS A 1 27 ? 10.567 -3.450 1.048 1.00 0.00 ? 27 HIS A HD1 26 ATOM 35923 H HD2 . HIS A 1 27 ? 7.031 -5.494 1.815 1.00 0.00 ? 27 HIS A HD2 26 ATOM 35924 H HE1 . HIS A 1 27 ? 11.051 -5.858 0.506 1.00 0.00 ? 27 HIS A HE1 26 ATOM 35925 H HE2 . HIS A 1 27 ? 8.897 -7.077 0.978 1.00 0.00 ? 27 HIS A HE2 26 ATOM 35926 N N . LYS A 1 28 ? 8.475 0.345 3.290 1.00 0.00 ? 28 LYS A N 26 ATOM 35927 C CA . LYS A 1 28 ? 8.886 1.722 3.038 1.00 0.00 ? 28 LYS A CA 26 ATOM 35928 C C . LYS A 1 28 ? 9.918 2.175 4.067 1.00 0.00 ? 28 LYS A C 26 ATOM 35929 O O . LYS A 1 28 ? 10.731 3.058 3.798 1.00 0.00 ? 28 LYS A O 26 ATOM 35930 C CB . LYS A 1 28 ? 7.662 2.661 3.013 1.00 0.00 ? 28 LYS A CB 26 ATOM 35931 C CG . LYS A 1 28 ? 7.299 3.298 4.353 1.00 0.00 ? 28 LYS A CG 26 ATOM 35932 C CD . LYS A 1 28 ? 7.621 4.784 4.364 1.00 0.00 ? 28 LYS A CD 26 ATOM 35933 C CE . LYS A 1 28 ? 7.490 5.371 5.760 1.00 0.00 ? 28 LYS A CE 26 ATOM 35934 N NZ . LYS A 1 28 ? 6.169 6.026 5.966 1.00 0.00 ? 28 LYS A NZ 26 ATOM 35935 H H . LYS A 1 28 ? 7.638 0.176 3.768 1.00 0.00 ? 28 LYS A H 26 ATOM 35936 H HA . LYS A 1 28 ? 9.352 1.740 2.067 1.00 0.00 ? 28 LYS A HA 26 ATOM 35937 H HB2 . LYS A 1 28 ? 7.855 3.455 2.310 1.00 0.00 ? 28 LYS A HB2 26 ATOM 35938 H HB3 . LYS A 1 28 ? 6.807 2.097 2.669 1.00 0.00 ? 28 LYS A HB3 26 ATOM 35939 H HG2 . LYS A 1 28 ? 6.243 3.171 4.527 1.00 0.00 ? 28 LYS A HG2 26 ATOM 35940 H HG3 . LYS A 1 28 ? 7.856 2.815 5.139 1.00 0.00 ? 28 LYS A HG3 26 ATOM 35941 H HD2 . LYS A 1 28 ? 8.634 4.927 4.019 1.00 0.00 ? 28 LYS A HD2 26 ATOM 35942 H HD3 . LYS A 1 28 ? 6.937 5.296 3.703 1.00 0.00 ? 28 LYS A HD3 26 ATOM 35943 H HE2 . LYS A 1 28 ? 7.605 4.577 6.483 1.00 0.00 ? 28 LYS A HE2 26 ATOM 35944 H HE3 . LYS A 1 28 ? 8.272 6.103 5.904 1.00 0.00 ? 28 LYS A HE3 26 ATOM 35945 H HZ1 . LYS A 1 28 ? 5.531 5.800 5.176 1.00 0.00 ? 28 LYS A HZ1 26 ATOM 35946 H HZ2 . LYS A 1 28 ? 5.738 5.690 6.852 1.00 0.00 ? 28 LYS A HZ2 26 ATOM 35947 H HZ3 . LYS A 1 28 ? 6.285 7.058 6.020 1.00 0.00 ? 28 LYS A HZ3 26 ATOM 35948 N N . GLN A 1 29 ? 9.880 1.557 5.242 1.00 0.00 ? 29 GLN A N 26 ATOM 35949 C CA . GLN A 1 29 ? 10.816 1.890 6.307 1.00 0.00 ? 29 GLN A CA 26 ATOM 35950 C C . GLN A 1 29 ? 12.195 1.335 5.985 1.00 0.00 ? 29 GLN A C 26 ATOM 35951 O O . GLN A 1 29 ? 13.208 2.011 6.164 1.00 0.00 ? 29 GLN A O 26 ATOM 35952 C CB . GLN A 1 29 ? 10.323 1.336 7.644 1.00 0.00 ? 29 GLN A CB 26 ATOM 35953 C CG . GLN A 1 29 ? 11.288 1.575 8.795 1.00 0.00 ? 29 GLN A CG 26 ATOM 35954 C CD . GLN A 1 29 ? 11.101 0.585 9.927 1.00 0.00 ? 29 GLN A CD 26 ATOM 35955 O OE1 . GLN A 1 29 ? 10.984 -0.619 9.701 1.00 0.00 ? 29 GLN A OE1 26 ATOM 35956 N NE2 . GLN A 1 29 ? 11.071 1.089 11.155 1.00 0.00 ? 29 GLN A NE2 26 ATOM 35957 H H . GLN A 1 29 ? 9.211 0.858 5.395 1.00 0.00 ? 29 GLN A H 26 ATOM 35958 H HA . GLN A 1 29 ? 10.878 2.966 6.370 1.00 0.00 ? 29 GLN A HA 26 ATOM 35959 H HB2 . GLN A 1 29 ? 9.381 1.803 7.890 1.00 0.00 ? 29 GLN A HB2 26 ATOM 35960 H HB3 . GLN A 1 29 ? 10.172 0.271 7.546 1.00 0.00 ? 29 GLN A HB3 26 ATOM 35961 H HG2 . GLN A 1 29 ? 12.298 1.488 8.424 1.00 0.00 ? 29 GLN A HG2 26 ATOM 35962 H HG3 . GLN A 1 29 ? 11.131 2.572 9.178 1.00 0.00 ? 29 GLN A HG3 26 ATOM 35963 H HE21 . GLN A 1 29 ? 11.170 2.058 11.259 1.00 0.00 ? 29 GLN A HE21 26 ATOM 35964 H HE22 . GLN A 1 29 ? 10.952 0.472 11.907 1.00 0.00 ? 29 GLN A HE22 26 ATOM 35965 N N . SER A 1 30 ? 12.228 0.097 5.499 1.00 0.00 ? 30 SER A N 26 ATOM 35966 C CA . SER A 1 30 ? 13.486 -0.546 5.142 1.00 0.00 ? 30 SER A CA 26 ATOM 35967 C C . SER A 1 30 ? 14.136 0.163 3.956 1.00 0.00 ? 30 SER A C 26 ATOM 35968 O O . SER A 1 30 ? 15.322 0.497 3.991 1.00 0.00 ? 30 SER A O 26 ATOM 35969 C CB . SER A 1 30 ? 13.253 -2.020 4.807 1.00 0.00 ? 30 SER A CB 26 ATOM 35970 O OG . SER A 1 30 ? 11.954 -2.226 4.282 1.00 0.00 ? 30 SER A OG 26 ATOM 35971 H H . SER A 1 30 ? 11.384 -0.392 5.373 1.00 0.00 ? 30 SER A H 26 ATOM 35972 H HA . SER A 1 30 ? 14.146 -0.478 5.994 1.00 0.00 ? 30 SER A HA 26 ATOM 35973 H HB2 . SER A 1 30 ? 13.979 -2.338 4.073 1.00 0.00 ? 30 SER A HB2 26 ATOM 35974 H HB3 . SER A 1 30 ? 13.364 -2.612 5.704 1.00 0.00 ? 30 SER A HB3 26 ATOM 35975 H HG . SER A 1 30 ? 11.830 -3.157 4.087 1.00 0.00 ? 30 SER A HG 26 ATOM 35976 N N . ILE A 1 31 ? 13.350 0.392 2.909 1.00 0.00 ? 31 ILE A N 26 ATOM 35977 C CA . ILE A 1 31 ? 13.846 1.062 1.711 1.00 0.00 ? 31 ILE A CA 26 ATOM 35978 C C . ILE A 1 31 ? 14.176 2.523 1.994 1.00 0.00 ? 31 ILE A C 26 ATOM 35979 O O . ILE A 1 31 ? 15.033 3.115 1.339 1.00 0.00 ? 31 ILE A O 26 ATOM 35980 C CB . ILE A 1 31 ? 12.819 0.980 0.565 1.00 0.00 ? 31 ILE A CB 26 ATOM 35981 C CG1 . ILE A 1 31 ? 13.327 1.695 -0.683 1.00 0.00 ? 31 ILE A CG1 26 ATOM 35982 C CG2 . ILE A 1 31 ? 11.490 1.579 0.994 1.00 0.00 ? 31 ILE A CG2 26 ATOM 35983 C CD1 . ILE A 1 31 ? 14.333 0.892 -1.464 1.00 0.00 ? 31 ILE A CD1 26 ATOM 35984 H H . ILE A 1 31 ? 12.410 0.104 2.940 1.00 0.00 ? 31 ILE A H 26 ATOM 35985 H HA . ILE A 1 31 ? 14.747 0.555 1.396 1.00 0.00 ? 31 ILE A HA 26 ATOM 35986 H HB . ILE A 1 31 ? 12.664 -0.065 0.333 1.00 0.00 ? 31 ILE A HB 26 ATOM 35987 H HG12 . ILE A 1 31 ? 12.489 1.896 -1.336 1.00 0.00 ? 31 ILE A HG12 26 ATOM 35988 H HG13 . ILE A 1 31 ? 13.790 2.628 -0.399 1.00 0.00 ? 31 ILE A HG13 26 ATOM 35989 H HG21 . ILE A 1 31 ? 11.312 1.364 2.034 1.00 0.00 ? 31 ILE A HG21 26 ATOM 35990 H HG22 . ILE A 1 31 ? 11.516 2.648 0.849 1.00 0.00 ? 31 ILE A HG22 26 ATOM 35991 H HG23 . ILE A 1 31 ? 10.696 1.155 0.398 1.00 0.00 ? 31 ILE A HG23 26 ATOM 35992 H HD11 . ILE A 1 31 ? 15.022 0.417 -0.784 1.00 0.00 ? 31 ILE A HD11 26 ATOM 35993 H HD12 . ILE A 1 31 ? 13.815 0.138 -2.040 1.00 0.00 ? 31 ILE A HD12 26 ATOM 35994 H HD13 . ILE A 1 31 ? 14.875 1.546 -2.131 1.00 0.00 ? 31 ILE A HD13 26 ATOM 35995 N N . LYS A 1 32 ? 13.494 3.098 2.977 1.00 0.00 ? 32 LYS A N 26 ATOM 35996 C CA . LYS A 1 32 ? 13.718 4.488 3.350 1.00 0.00 ? 32 LYS A CA 26 ATOM 35997 C C . LYS A 1 32 ? 14.967 4.627 4.215 1.00 0.00 ? 32 LYS A C 26 ATOM 35998 O O . LYS A 1 32 ? 15.545 5.710 4.315 1.00 0.00 ? 32 LYS A O 26 ATOM 35999 C CB . LYS A 1 32 ? 12.503 5.042 4.097 1.00 0.00 ? 32 LYS A CB 26 ATOM 36000 C CG . LYS A 1 32 ? 12.714 6.442 4.648 1.00 0.00 ? 32 LYS A CG 26 ATOM 36001 C CD . LYS A 1 32 ? 11.463 6.964 5.337 1.00 0.00 ? 32 LYS A CD 26 ATOM 36002 C CE . LYS A 1 32 ? 10.415 7.406 4.328 1.00 0.00 ? 32 LYS A CE 26 ATOM 36003 N NZ . LYS A 1 32 ? 9.619 8.563 4.824 1.00 0.00 ? 32 LYS A NZ 26 ATOM 36004 H H . LYS A 1 32 ? 12.827 2.573 3.468 1.00 0.00 ? 32 LYS A H 26 ATOM 36005 H HA . LYS A 1 32 ? 13.858 5.055 2.441 1.00 0.00 ? 32 LYS A HA 26 ATOM 36006 H HB2 . LYS A 1 32 ? 11.660 5.065 3.423 1.00 0.00 ? 32 LYS A HB2 26 ATOM 36007 H HB3 . LYS A 1 32 ? 12.273 4.384 4.923 1.00 0.00 ? 32 LYS A HB3 26 ATOM 36008 H HG2 . LYS A 1 32 ? 13.522 6.420 5.363 1.00 0.00 ? 32 LYS A HG2 26 ATOM 36009 H HG3 . LYS A 1 32 ? 12.968 7.104 3.834 1.00 0.00 ? 32 LYS A HG3 26 ATOM 36010 H HD2 . LYS A 1 32 ? 11.047 6.180 5.950 1.00 0.00 ? 32 LYS A HD2 26 ATOM 36011 H HD3 . LYS A 1 32 ? 11.731 7.807 5.958 1.00 0.00 ? 32 LYS A HD3 26 ATOM 36012 H HE2 . LYS A 1 32 ? 10.912 7.689 3.412 1.00 0.00 ? 32 LYS A HE2 26 ATOM 36013 H HE3 . LYS A 1 32 ? 9.748 6.579 4.133 1.00 0.00 ? 32 LYS A HE3 26 ATOM 36014 H HZ1 . LYS A 1 32 ? 9.988 8.882 5.743 1.00 0.00 ? 32 LYS A HZ1 26 ATOM 36015 H HZ2 . LYS A 1 32 ? 9.675 9.352 4.148 1.00 0.00 ? 32 LYS A HZ2 26 ATOM 36016 H HZ3 . LYS A 1 32 ? 8.622 8.289 4.937 1.00 0.00 ? 32 LYS A HZ3 26 ATOM 36017 N N . LYS A 1 33 ? 15.379 3.529 4.840 1.00 0.00 ? 33 LYS A N 26 ATOM 36018 C CA . LYS A 1 33 ? 16.557 3.536 5.698 1.00 0.00 ? 33 LYS A CA 26 ATOM 36019 C C . LYS A 1 33 ? 17.839 3.408 4.882 1.00 0.00 ? 33 LYS A C 26 ATOM 36020 O O . LYS A 1 33 ? 18.850 4.037 5.198 1.00 0.00 ? 33 LYS A O 26 ATOM 36021 C CB . LYS A 1 33 ? 16.475 2.400 6.719 1.00 0.00 ? 33 LYS A CB 26 ATOM 36022 C CG . LYS A 1 33 ? 16.942 2.796 8.110 1.00 0.00 ? 33 LYS A CG 26 ATOM 36023 C CD . LYS A 1 33 ? 16.493 1.789 9.156 1.00 0.00 ? 33 LYS A CD 26 ATOM 36024 C CE . LYS A 1 33 ? 15.238 2.257 9.877 1.00 0.00 ? 33 LYS A CE 26 ATOM 36025 N NZ . LYS A 1 33 ? 14.484 1.119 10.472 1.00 0.00 ? 33 LYS A NZ 26 ATOM 36026 H H . LYS A 1 33 ? 14.878 2.695 4.727 1.00 0.00 ? 33 LYS A H 26 ATOM 36027 H HA . LYS A 1 33 ? 16.575 4.478 6.224 1.00 0.00 ? 33 LYS A HA 26 ATOM 36028 H HB2 . LYS A 1 33 ? 15.449 2.067 6.789 1.00 0.00 ? 33 LYS A HB2 26 ATOM 36029 H HB3 . LYS A 1 33 ? 17.088 1.579 6.378 1.00 0.00 ? 33 LYS A HB3 26 ATOM 36030 H HG2 . LYS A 1 33 ? 18.020 2.850 8.117 1.00 0.00 ? 33 LYS A HG2 26 ATOM 36031 H HG3 . LYS A 1 33 ? 16.530 3.765 8.355 1.00 0.00 ? 33 LYS A HG3 26 ATOM 36032 H HD2 . LYS A 1 33 ? 16.287 0.848 8.671 1.00 0.00 ? 33 LYS A HD2 26 ATOM 36033 H HD3 . LYS A 1 33 ? 17.285 1.659 9.879 1.00 0.00 ? 33 LYS A HD3 26 ATOM 36034 H HE2 . LYS A 1 33 ? 15.524 2.939 10.664 1.00 0.00 ? 33 LYS A HE2 26 ATOM 36035 H HE3 . LYS A 1 33 ? 14.603 2.768 9.171 1.00 0.00 ? 33 LYS A HE3 26 ATOM 36036 H HZ1 . LYS A 1 33 ? 14.731 0.233 9.987 1.00 0.00 ? 33 LYS A HZ1 26 ATOM 36037 H HZ2 . LYS A 1 33 ? 14.716 1.026 11.482 1.00 0.00 ? 33 LYS A HZ2 26 ATOM 36038 H HZ3 . LYS A 1 33 ? 13.461 1.280 10.378 1.00 0.00 ? 33 LYS A HZ3 26 ATOM 36039 N N . LEU A 1 34 ? 17.799 2.592 3.832 1.00 0.00 ? 34 LEU A N 26 ATOM 36040 C CA . LEU A 1 34 ? 18.967 2.394 2.985 1.00 0.00 ? 34 LEU A CA 26 ATOM 36041 C C . LEU A 1 34 ? 19.101 3.529 1.978 1.00 0.00 ? 34 LEU A C 26 ATOM 36042 O O . LEU A 1 34 ? 20.202 3.846 1.528 1.00 0.00 ? 34 LEU A O 26 ATOM 36043 C CB . LEU A 1 34 ? 18.877 1.051 2.261 1.00 0.00 ? 34 LEU A CB 26 ATOM 36044 C CG . LEU A 1 34 ? 19.120 -0.177 3.140 1.00 0.00 ? 34 LEU A CG 26 ATOM 36045 C CD1 . LEU A 1 34 ? 18.476 -1.409 2.526 1.00 0.00 ? 34 LEU A CD1 26 ATOM 36046 C CD2 . LEU A 1 34 ? 20.611 -0.398 3.345 1.00 0.00 ? 34 LEU A CD2 26 ATOM 36047 H H . LEU A 1 34 ? 16.968 2.113 3.620 1.00 0.00 ? 34 LEU A H 26 ATOM 36048 H HA . LEU A 1 34 ? 19.839 2.391 3.622 1.00 0.00 ? 34 LEU A HA 26 ATOM 36049 H HB2 . LEU A 1 34 ? 17.893 0.967 1.824 1.00 0.00 ? 34 LEU A HB2 26 ATOM 36050 H HB3 . LEU A 1 34 ? 19.607 1.045 1.465 1.00 0.00 ? 34 LEU A HB3 26 ATOM 36051 H HG . LEU A 1 34 ? 18.669 -0.013 4.109 1.00 0.00 ? 34 LEU A HG 26 ATOM 36052 H HD11 . LEU A 1 34 ? 17.428 -1.215 2.344 1.00 0.00 ? 34 LEU A HD11 26 ATOM 36053 H HD12 . LEU A 1 34 ? 18.966 -1.644 1.592 1.00 0.00 ? 34 LEU A HD12 26 ATOM 36054 H HD13 . LEU A 1 34 ? 18.575 -2.244 3.203 1.00 0.00 ? 34 LEU A HD13 26 ATOM 36055 H HD21 . LEU A 1 34 ? 21.067 0.518 3.691 1.00 0.00 ? 34 LEU A HD21 26 ATOM 36056 H HD22 . LEU A 1 34 ? 20.762 -1.176 4.079 1.00 0.00 ? 34 LEU A HD22 26 ATOM 36057 H HD23 . LEU A 1 34 ? 21.062 -0.694 2.410 1.00 0.00 ? 34 LEU A HD23 26 ATOM 36058 N N . LYS A 1 35 ? 17.973 4.143 1.631 1.00 0.00 ? 35 LYS A N 26 ATOM 36059 C CA . LYS A 1 35 ? 17.971 5.248 0.682 1.00 0.00 ? 35 LYS A CA 26 ATOM 36060 C C . LYS A 1 35 ? 18.228 6.571 1.396 1.00 0.00 ? 35 LYS A C 26 ATOM 36061 O O . LYS A 1 35 ? 18.727 7.524 0.799 1.00 0.00 ? 35 LYS A O 26 ATOM 36062 C CB . LYS A 1 35 ? 16.639 5.305 -0.069 1.00 0.00 ? 35 LYS A CB 26 ATOM 36063 C CG . LYS A 1 35 ? 15.479 5.796 0.783 1.00 0.00 ? 35 LYS A CG 26 ATOM 36064 C CD . LYS A 1 35 ? 15.109 7.231 0.444 1.00 0.00 ? 35 LYS A CD 26 ATOM 36065 C CE . LYS A 1 35 ? 13.665 7.534 0.807 1.00 0.00 ? 35 LYS A CE 26 ATOM 36066 N NZ . LYS A 1 35 ? 13.039 8.486 -0.153 1.00 0.00 ? 35 LYS A NZ 26 ATOM 36067 H H . LYS A 1 35 ? 17.126 3.849 2.026 1.00 0.00 ? 35 LYS A H 26 ATOM 36068 H HA . LYS A 1 35 ? 18.768 5.077 -0.026 1.00 0.00 ? 35 LYS A HA 26 ATOM 36069 H HB2 . LYS A 1 35 ? 16.743 5.970 -0.913 1.00 0.00 ? 35 LYS A HB2 26 ATOM 36070 H HB3 . LYS A 1 35 ? 16.400 4.315 -0.428 1.00 0.00 ? 35 LYS A HB3 26 ATOM 36071 H HG2 . LYS A 1 35 ? 14.622 5.163 0.606 1.00 0.00 ? 35 LYS A HG2 26 ATOM 36072 H HG3 . LYS A 1 35 ? 15.762 5.743 1.824 1.00 0.00 ? 35 LYS A HG3 26 ATOM 36073 H HD2 . LYS A 1 35 ? 15.755 7.899 0.994 1.00 0.00 ? 35 LYS A HD2 26 ATOM 36074 H HD3 . LYS A 1 35 ? 15.246 7.387 -0.616 1.00 0.00 ? 35 LYS A HD3 26 ATOM 36075 H HE2 . LYS A 1 35 ? 13.104 6.612 0.802 1.00 0.00 ? 35 LYS A HE2 26 ATOM 36076 H HE3 . LYS A 1 35 ? 13.638 7.965 1.797 1.00 0.00 ? 35 LYS A HE3 26 ATOM 36077 H HZ1 . LYS A 1 35 ? 13.179 8.154 -1.128 1.00 0.00 ? 35 LYS A HZ1 26 ATOM 36078 H HZ2 . LYS A 1 35 ? 12.018 8.562 0.033 1.00 0.00 ? 35 LYS A HZ2 26 ATOM 36079 H HZ3 . LYS A 1 35 ? 13.469 9.428 -0.053 1.00 0.00 ? 35 LYS A HZ3 26 ATOM 36080 N N . GLN A 1 36 ? 17.889 6.621 2.682 1.00 0.00 ? 36 GLN A N 26 ATOM 36081 C CA . GLN A 1 36 ? 18.089 7.825 3.478 1.00 0.00 ? 36 GLN A CA 26 ATOM 36082 C C . GLN A 1 36 ? 19.499 7.859 4.056 1.00 0.00 ? 36 GLN A C 26 ATOM 36083 O O . GLN A 1 36 ? 20.042 8.929 4.332 1.00 0.00 ? 36 GLN A O 26 ATOM 36084 C CB . GLN A 1 36 ? 17.059 7.896 4.606 1.00 0.00 ? 36 GLN A CB 26 ATOM 36085 C CG . GLN A 1 36 ? 17.256 9.083 5.536 1.00 0.00 ? 36 GLN A CG 26 ATOM 36086 C CD . GLN A 1 36 ? 16.120 10.083 5.451 1.00 0.00 ? 36 GLN A CD 26 ATOM 36087 O OE1 . GLN A 1 36 ? 16.045 10.876 4.512 1.00 0.00 ? 36 GLN A OE1 26 ATOM 36088 N NE2 . GLN A 1 36 ? 15.228 10.052 6.435 1.00 0.00 ? 36 GLN A NE2 26 ATOM 36089 H H . GLN A 1 36 ? 17.499 5.826 3.105 1.00 0.00 ? 36 GLN A H 26 ATOM 36090 H HA . GLN A 1 36 ? 17.958 8.678 2.827 1.00 0.00 ? 36 GLN A HA 26 ATOM 36091 H HB2 . GLN A 1 36 ? 16.072 7.964 4.174 1.00 0.00 ? 36 GLN A HB2 26 ATOM 36092 H HB3 . GLN A 1 36 ? 17.123 6.992 5.194 1.00 0.00 ? 36 GLN A HB3 26 ATOM 36093 H HG2 . GLN A 1 36 ? 17.321 8.721 6.552 1.00 0.00 ? 36 GLN A HG2 26 ATOM 36094 H HG3 . GLN A 1 36 ? 18.176 9.581 5.273 1.00 0.00 ? 36 GLN A HG3 26 ATOM 36095 H HE21 . GLN A 1 36 ? 15.351 9.393 7.150 1.00 0.00 ? 36 GLN A HE21 26 ATOM 36096 H HE22 . GLN A 1 36 ? 14.483 10.688 6.405 1.00 0.00 ? 36 GLN A HE22 26 ATOM 36097 N N . SER A 1 37 ? 20.088 6.681 4.235 1.00 0.00 ? 37 SER A N 26 ATOM 36098 C CA . SER A 1 37 ? 21.436 6.577 4.778 1.00 0.00 ? 37 SER A CA 26 ATOM 36099 C C . SER A 1 37 ? 22.478 6.725 3.674 1.00 0.00 ? 37 SER A C 26 ATOM 36100 O O . SER A 1 37 ? 23.577 7.228 3.908 1.00 0.00 ? 37 SER A O 26 ATOM 36101 C CB . SER A 1 37 ? 21.620 5.237 5.493 1.00 0.00 ? 37 SER A CB 26 ATOM 36102 O OG . SER A 1 37 ? 22.777 5.248 6.310 1.00 0.00 ? 37 SER A OG 26 ATOM 36103 H H . SER A 1 37 ? 19.604 5.863 3.995 1.00 0.00 ? 37 SER A H 26 ATOM 36104 H HA . SER A 1 37 ? 21.569 7.377 5.491 1.00 0.00 ? 37 SER A HA 26 ATOM 36105 H HB2 . SER A 1 37 ? 20.757 5.041 6.113 1.00 0.00 ? 37 SER A HB2 26 ATOM 36106 H HB3 . SER A 1 37 ? 21.720 4.451 4.758 1.00 0.00 ? 37 SER A HB3 26 ATOM 36107 H HG . SER A 1 37 ? 23.539 4.988 5.789 1.00 0.00 ? 37 SER A HG 26 ATOM 36108 N N . GLU A 1 38 ? 22.124 6.287 2.470 1.00 0.00 ? 38 GLU A N 26 ATOM 36109 C CA . GLU A 1 38 ? 23.029 6.375 1.330 1.00 0.00 ? 38 GLU A CA 26 ATOM 36110 C C . GLU A 1 38 ? 22.906 7.732 0.642 1.00 0.00 ? 38 GLU A C 26 ATOM 36111 O O . GLU A 1 38 ? 23.841 8.196 -0.008 1.00 0.00 ? 38 GLU A O 26 ATOM 36112 C CB . GLU A 1 38 ? 22.738 5.254 0.331 1.00 0.00 ? 38 GLU A CB 26 ATOM 36113 C CG . GLU A 1 38 ? 23.988 4.642 -0.280 1.00 0.00 ? 38 GLU A CG 26 ATOM 36114 C CD . GLU A 1 38 ? 24.249 5.133 -1.689 1.00 0.00 ? 38 GLU A CD 26 ATOM 36115 O OE1 . GLU A 1 38 ? 24.189 6.360 -1.912 1.00 0.00 ? 38 GLU A OE1 26 ATOM 36116 O OE2 . GLU A 1 38 ? 24.516 4.290 -2.572 1.00 0.00 ? 38 GLU A OE2 26 ATOM 36117 H H . GLU A 1 38 ? 21.233 5.898 2.344 1.00 0.00 ? 38 GLU A H 26 ATOM 36118 H HA . GLU A 1 38 ? 24.038 6.263 1.699 1.00 0.00 ? 38 GLU A HA 26 ATOM 36119 H HB2 . GLU A 1 38 ? 22.188 4.473 0.835 1.00 0.00 ? 38 GLU A HB2 26 ATOM 36120 H HB3 . GLU A 1 38 ? 22.129 5.651 -0.470 1.00 0.00 ? 38 GLU A HB3 26 ATOM 36121 H HG2 . GLU A 1 38 ? 24.837 4.898 0.337 1.00 0.00 ? 38 GLU A HG2 26 ATOM 36122 H HG3 . GLU A 1 38 ? 23.873 3.568 -0.303 1.00 0.00 ? 38 GLU A HG3 26 ATOM 36123 N N . ASP A 1 39 ? 21.745 8.362 0.794 1.00 0.00 ? 39 ASP A N 26 ATOM 36124 C CA . ASP A 1 39 ? 21.498 9.666 0.190 1.00 0.00 ? 39 ASP A CA 26 ATOM 36125 C C . ASP A 1 39 ? 21.721 10.788 1.200 1.00 0.00 ? 39 ASP A C 26 ATOM 36126 O O . ASP A 1 39 ? 21.988 11.930 0.825 1.00 0.00 ? 39 ASP A O 26 ATOM 36127 C CB . ASP A 1 39 ? 20.072 9.735 -0.359 1.00 0.00 ? 39 ASP A CB 26 ATOM 36128 C CG . ASP A 1 39 ? 19.787 11.044 -1.068 1.00 0.00 ? 39 ASP A CG 26 ATOM 36129 O OD1 . ASP A 1 39 ? 20.625 11.465 -1.894 1.00 0.00 ? 39 ASP A OD1 26 ATOM 36130 O OD2 . ASP A 1 39 ? 18.728 11.647 -0.800 1.00 0.00 ? 39 ASP A OD2 26 ATOM 36131 H H . ASP A 1 39 ? 21.037 7.941 1.326 1.00 0.00 ? 39 ASP A H 26 ATOM 36132 H HA . ASP A 1 39 ? 22.194 9.789 -0.627 1.00 0.00 ? 39 ASP A HA 26 ATOM 36133 H HB2 . ASP A 1 39 ? 19.924 8.928 -1.061 1.00 0.00 ? 39 ASP A HB2 26 ATOM 36134 H HB3 . ASP A 1 39 ? 19.373 9.629 0.457 1.00 0.00 ? 39 ASP A HB3 26 ATOM 36135 N N . ASP A 1 40 ? 21.610 10.457 2.484 1.00 0.00 ? 40 ASP A N 26 ATOM 36136 C CA . ASP A 1 40 ? 21.800 11.440 3.544 1.00 0.00 ? 40 ASP A CA 26 ATOM 36137 C C . ASP A 1 40 ? 20.855 12.623 3.365 1.00 0.00 ? 40 ASP A C 26 ATOM 36138 O O . ASP A 1 40 ? 21.084 13.492 2.523 1.00 0.00 ? 40 ASP A O 26 ATOM 36139 C CB . ASP A 1 40 ? 23.249 11.928 3.562 1.00 0.00 ? 40 ASP A CB 26 ATOM 36140 C CG . ASP A 1 40 ? 24.207 10.877 4.086 1.00 0.00 ? 40 ASP A CG 26 ATOM 36141 O OD1 . ASP A 1 40 ? 24.143 10.566 5.294 1.00 0.00 ? 40 ASP A OD1 26 ATOM 36142 O OD2 . ASP A 1 40 ? 25.022 10.366 3.290 1.00 0.00 ? 40 ASP A OD2 26 ATOM 36143 H H . ASP A 1 40 ? 21.396 9.532 2.723 1.00 0.00 ? 40 ASP A H 26 ATOM 36144 H HA . ASP A 1 40 ? 21.580 10.958 4.485 1.00 0.00 ? 40 ASP A HA 26 ATOM 36145 H HB2 . ASP A 1 40 ? 23.547 12.190 2.557 1.00 0.00 ? 40 ASP A HB2 26 ATOM 36146 H HB3 . ASP A 1 40 ? 23.320 12.802 4.193 1.00 0.00 ? 40 ASP A HB3 26 ATOM 36147 N N . ASP A 1 41 ? 19.792 12.651 4.163 1.00 0.00 ? 41 ASP A N 26 ATOM 36148 C CA . ASP A 1 41 ? 18.813 13.729 4.092 1.00 0.00 ? 41 ASP A CA 26 ATOM 36149 C C . ASP A 1 41 ? 17.789 13.609 5.217 1.00 0.00 ? 41 ASP A C 26 ATOM 36150 O O . ASP A 1 41 ? 16.635 13.228 4.927 1.00 0.00 ? 41 ASP A O 26 ATOM 36151 C CB . ASP A 1 41 ? 18.102 13.715 2.737 1.00 0.00 ? 41 ASP A CB 26 ATOM 36152 C CG . ASP A 1 41 ? 17.192 14.912 2.549 1.00 0.00 ? 41 ASP A CG 26 ATOM 36153 O OD1 . ASP A 1 41 ? 17.615 16.039 2.883 1.00 0.00 ? 41 ASP A OD1 26 ATOM 36154 O OD2 . ASP A 1 41 ? 16.056 14.724 2.066 1.00 0.00 ? 41 ASP A OD2 26 ATOM 36155 O OXT . ASP A 1 41 ? 18.150 13.895 6.378 1.00 0.00 ? 41 ASP A OXT 26 ATOM 36156 H H . ASP A 1 41 ? 19.664 11.931 4.814 1.00 0.00 ? 41 ASP A H 26 ATOM 36157 H HA . ASP A 1 41 ? 19.341 14.665 4.202 1.00 0.00 ? 41 ASP A HA 26 ATOM 36158 H HB2 . ASP A 1 41 ? 18.843 13.722 1.950 1.00 0.00 ? 41 ASP A HB2 26 ATOM 36159 H HB3 . ASP A 1 41 ? 17.509 12.817 2.659 1.00 0.00 ? 41 ASP A HB3 26 ATOM 36160 N N . ALA B 1 1 ? 34.221 7.031 -2.856 1.00 0.00 ? 1 ALA B N 26 ATOM 36161 C CA . ALA B 1 1 ? 33.323 5.897 -2.515 1.00 0.00 ? 1 ALA B CA 26 ATOM 36162 C C . ALA B 1 1 ? 32.871 5.159 -3.770 1.00 0.00 ? 1 ALA B C 26 ATOM 36163 O O . ALA B 1 1 ? 32.236 5.742 -4.650 1.00 0.00 ? 1 ALA B O 26 ATOM 36164 C CB . ALA B 1 1 ? 32.117 6.395 -1.733 1.00 0.00 ? 1 ALA B CB 26 ATOM 36165 H H1 . ALA B 1 1 ? 34.684 6.808 -3.760 1.00 0.00 ? 1 ALA B H1 26 ATOM 36166 H H2 . ALA B 1 1 ? 33.633 7.886 -2.935 1.00 0.00 ? 1 ALA B H2 26 ATOM 36167 H H3 . ALA B 1 1 ? 34.919 7.124 -2.092 1.00 0.00 ? 1 ALA B H3 26 ATOM 36168 H HA . ALA B 1 1 ? 33.869 5.209 -1.885 1.00 0.00 ? 1 ALA B HA 26 ATOM 36169 H HB1 . ALA B 1 1 ? 31.300 6.583 -2.414 1.00 0.00 ? 1 ALA B HB1 26 ATOM 36170 H HB2 . ALA B 1 1 ? 32.374 7.310 -1.219 1.00 0.00 ? 1 ALA B HB2 26 ATOM 36171 H HB3 . ALA B 1 1 ? 31.821 5.647 -1.013 1.00 0.00 ? 1 ALA B HB3 26 ATOM 36172 N N . LEU B 1 2 ? 33.203 3.875 -3.847 1.00 0.00 ? 2 LEU B N 26 ATOM 36173 C CA . LEU B 1 2 ? 32.831 3.057 -4.996 1.00 0.00 ? 2 LEU B CA 26 ATOM 36174 C C . LEU B 1 2 ? 32.157 1.764 -4.548 1.00 0.00 ? 2 LEU B C 26 ATOM 36175 O O . LEU B 1 2 ? 32.824 0.820 -4.124 1.00 0.00 ? 2 LEU B O 26 ATOM 36176 C CB . LEU B 1 2 ? 34.065 2.737 -5.840 1.00 0.00 ? 2 LEU B CB 26 ATOM 36177 C CG . LEU B 1 2 ? 35.301 2.314 -5.046 1.00 0.00 ? 2 LEU B CG 26 ATOM 36178 C CD1 . LEU B 1 2 ? 36.182 1.396 -5.878 1.00 0.00 ? 2 LEU B CD1 26 ATOM 36179 C CD2 . LEU B 1 2 ? 36.082 3.537 -4.587 1.00 0.00 ? 2 LEU B CD2 26 ATOM 36180 H H . LEU B 1 2 ? 33.709 3.467 -3.114 1.00 0.00 ? 2 LEU B H 26 ATOM 36181 H HA . LEU B 1 2 ? 32.132 3.625 -5.594 1.00 0.00 ? 2 LEU B HA 26 ATOM 36182 H HB2 . LEU B 1 2 ? 33.811 1.939 -6.523 1.00 0.00 ? 2 LEU B HB2 26 ATOM 36183 H HB3 . LEU B 1 2 ? 34.318 3.614 -6.417 1.00 0.00 ? 2 LEU B HB3 26 ATOM 36184 H HG . LEU B 1 2 ? 34.987 1.768 -4.167 1.00 0.00 ? 2 LEU B HG 26 ATOM 36185 H HD11 . LEU B 1 2 ? 35.846 1.408 -6.904 1.00 0.00 ? 2 LEU B HD11 26 ATOM 36186 H HD12 . LEU B 1 2 ? 37.205 1.739 -5.829 1.00 0.00 ? 2 LEU B HD12 26 ATOM 36187 H HD13 . LEU B 1 2 ? 36.121 0.390 -5.491 1.00 0.00 ? 2 LEU B HD13 26 ATOM 36188 H HD21 . LEU B 1 2 ? 35.425 4.394 -4.558 1.00 0.00 ? 2 LEU B HD21 26 ATOM 36189 H HD22 . LEU B 1 2 ? 36.484 3.358 -3.601 1.00 0.00 ? 2 LEU B HD22 26 ATOM 36190 H HD23 . LEU B 1 2 ? 36.891 3.727 -5.277 1.00 0.00 ? 2 LEU B HD23 26 ATOM 36191 N N . LYS B 1 3 ? 30.833 1.728 -4.647 1.00 0.00 ? 3 LYS B N 26 ATOM 36192 C CA . LYS B 1 3 ? 30.068 0.551 -4.252 1.00 0.00 ? 3 LYS B CA 26 ATOM 36193 C C . LYS B 1 3 ? 28.972 0.248 -5.270 1.00 0.00 ? 3 LYS B C 26 ATOM 36194 O O . LYS B 1 3 ? 29.099 -0.669 -6.080 1.00 0.00 ? 3 LYS B O 26 ATOM 36195 C CB . LYS B 1 3 ? 29.452 0.756 -2.867 1.00 0.00 ? 3 LYS B CB 26 ATOM 36196 C CG . LYS B 1 3 ? 29.853 -0.308 -1.859 1.00 0.00 ? 3 LYS B CG 26 ATOM 36197 C CD . LYS B 1 3 ? 31.306 -0.156 -1.438 1.00 0.00 ? 3 LYS B CD 26 ATOM 36198 C CE . LYS B 1 3 ? 31.539 1.151 -0.698 1.00 0.00 ? 3 LYS B CE 26 ATOM 36199 N NZ . LYS B 1 3 ? 32.599 1.974 -1.344 1.00 0.00 ? 3 LYS B NZ 26 ATOM 36200 H H . LYS B 1 3 ? 30.356 2.512 -4.992 1.00 0.00 ? 3 LYS B H 26 ATOM 36201 H HA . LYS B 1 3 ? 30.748 -0.287 -4.213 1.00 0.00 ? 3 LYS B HA 26 ATOM 36202 H HB2 . LYS B 1 3 ? 29.764 1.718 -2.487 1.00 0.00 ? 3 LYS B HB2 26 ATOM 36203 H HB3 . LYS B 1 3 ? 28.376 0.747 -2.959 1.00 0.00 ? 3 LYS B HB3 26 ATOM 36204 H HG2 . LYS B 1 3 ? 29.226 -0.219 -0.986 1.00 0.00 ? 3 LYS B HG2 26 ATOM 36205 H HG3 . LYS B 1 3 ? 29.717 -1.282 -2.306 1.00 0.00 ? 3 LYS B HG3 26 ATOM 36206 H HD2 . LYS B 1 3 ? 31.570 -0.978 -0.789 1.00 0.00 ? 3 LYS B HD2 26 ATOM 36207 H HD3 . LYS B 1 3 ? 31.930 -0.177 -2.321 1.00 0.00 ? 3 LYS B HD3 26 ATOM 36208 H HE2 . LYS B 1 3 ? 30.617 1.713 -0.687 1.00 0.00 ? 3 LYS B HE2 26 ATOM 36209 H HE3 . LYS B 1 3 ? 31.836 0.928 0.316 1.00 0.00 ? 3 LYS B HE3 26 ATOM 36210 H HZ1 . LYS B 1 3 ? 33.128 1.400 -2.033 1.00 0.00 ? 3 LYS B HZ1 26 ATOM 36211 H HZ2 . LYS B 1 3 ? 32.172 2.783 -1.838 1.00 0.00 ? 3 LYS B HZ2 26 ATOM 36212 H HZ3 . LYS B 1 3 ? 33.261 2.331 -0.627 1.00 0.00 ? 3 LYS B HZ3 26 ATOM 36213 N N . LYS B 1 4 ? 27.897 1.027 -5.221 1.00 0.00 ? 4 LYS B N 26 ATOM 36214 C CA . LYS B 1 4 ? 26.777 0.845 -6.138 1.00 0.00 ? 4 LYS B CA 26 ATOM 36215 C C . LYS B 1 4 ? 26.043 -0.471 -5.875 1.00 0.00 ? 4 LYS B C 26 ATOM 36216 O O . LYS B 1 4 ? 25.225 -0.903 -6.688 1.00 0.00 ? 4 LYS B O 26 ATOM 36217 C CB . LYS B 1 4 ? 27.267 0.886 -7.587 1.00 0.00 ? 4 LYS B CB 26 ATOM 36218 C CG . LYS B 1 4 ? 26.727 2.066 -8.379 1.00 0.00 ? 4 LYS B CG 26 ATOM 36219 C CD . LYS B 1 4 ? 27.133 1.986 -9.841 1.00 0.00 ? 4 LYS B CD 26 ATOM 36220 C CE . LYS B 1 4 ? 26.782 3.264 -10.588 1.00 0.00 ? 4 LYS B CE 26 ATOM 36221 N NZ . LYS B 1 4 ? 25.313 3.399 -10.799 1.00 0.00 ? 4 LYS B NZ 26 ATOM 36222 H H . LYS B 1 4 ? 27.855 1.742 -4.553 1.00 0.00 ? 4 LYS B H 26 ATOM 36223 H HA . LYS B 1 4 ? 26.088 1.661 -5.981 1.00 0.00 ? 4 LYS B HA 26 ATOM 36224 H HB2 . LYS B 1 4 ? 28.345 0.942 -7.588 1.00 0.00 ? 4 LYS B HB2 26 ATOM 36225 H HB3 . LYS B 1 4 ? 26.962 -0.022 -8.084 1.00 0.00 ? 4 LYS B HB3 26 ATOM 36226 H HG2 . LYS B 1 4 ? 25.650 2.069 -8.314 1.00 0.00 ? 4 LYS B HG2 26 ATOM 36227 H HG3 . LYS B 1 4 ? 27.118 2.980 -7.955 1.00 0.00 ? 4 LYS B HG3 26 ATOM 36228 H HD2 . LYS B 1 4 ? 28.199 1.828 -9.902 1.00 0.00 ? 4 LYS B HD2 26 ATOM 36229 H HD3 . LYS B 1 4 ? 26.618 1.157 -10.303 1.00 0.00 ? 4 LYS B HD3 26 ATOM 36230 H HE2 . LYS B 1 4 ? 27.133 4.109 -10.015 1.00 0.00 ? 4 LYS B HE2 26 ATOM 36231 H HE3 . LYS B 1 4 ? 27.275 3.251 -11.549 1.00 0.00 ? 4 LYS B HE3 26 ATOM 36232 H HZ1 . LYS B 1 4 ? 24.807 2.658 -10.274 1.00 0.00 ? 4 LYS B HZ1 26 ATOM 36233 H HZ2 . LYS B 1 4 ? 24.988 4.328 -10.463 1.00 0.00 ? 4 LYS B HZ2 26 ATOM 36234 H HZ3 . LYS B 1 4 ? 25.088 3.310 -11.810 1.00 0.00 ? 4 LYS B HZ3 26 ATOM 36235 N N . HIS B 1 5 ? 26.331 -1.103 -4.739 1.00 0.00 ? 5 HIS B N 26 ATOM 36236 C CA . HIS B 1 5 ? 25.683 -2.361 -4.388 1.00 0.00 ? 5 HIS B CA 26 ATOM 36237 C C . HIS B 1 5 ? 24.460 -2.106 -3.512 1.00 0.00 ? 5 HIS B C 26 ATOM 36238 O O . HIS B 1 5 ? 23.454 -2.812 -3.605 1.00 0.00 ? 5 HIS B O 26 ATOM 36239 C CB . HIS B 1 5 ? 26.670 -3.292 -3.675 1.00 0.00 ? 5 HIS B CB 26 ATOM 36240 C CG . HIS B 1 5 ? 26.953 -2.910 -2.253 1.00 0.00 ? 5 HIS B CG 26 ATOM 36241 N ND1 . HIS B 1 5 ? 26.900 -3.811 -1.209 1.00 0.00 ? 5 HIS B ND1 26 ATOM 36242 C CD2 . HIS B 1 5 ? 27.294 -1.721 -1.704 1.00 0.00 ? 5 HIS B CD2 26 ATOM 36243 C CE1 . HIS B 1 5 ? 27.196 -3.192 -0.080 1.00 0.00 ? 5 HIS B CE1 26 ATOM 36244 N NE2 . HIS B 1 5 ? 27.440 -1.923 -0.353 1.00 0.00 ? 5 HIS B NE2 26 ATOM 36245 H H . HIS B 1 5 ? 26.984 -0.715 -4.123 1.00 0.00 ? 5 HIS B H 26 ATOM 36246 H HA . HIS B 1 5 ? 25.359 -2.831 -5.305 1.00 0.00 ? 5 HIS B HA 26 ATOM 36247 H HB2 . HIS B 1 5 ? 26.269 -4.295 -3.673 1.00 0.00 ? 5 HIS B HB2 26 ATOM 36248 H HB3 . HIS B 1 5 ? 27.607 -3.288 -4.212 1.00 0.00 ? 5 HIS B HB3 26 ATOM 36249 H HD1 . HIS B 1 5 ? 26.679 -4.762 -1.283 1.00 0.00 ? 5 HIS B HD1 26 ATOM 36250 H HD2 . HIS B 1 5 ? 27.427 -0.786 -2.229 1.00 0.00 ? 5 HIS B HD2 26 ATOM 36251 H HE1 . HIS B 1 5 ? 27.234 -3.646 0.899 1.00 0.00 ? 5 HIS B HE1 26 ATOM 36252 H HE2 . HIS B 1 5 ? 27.685 -1.239 0.304 1.00 0.00 ? 5 HIS B HE2 26 ATOM 36253 N N . HIS B 1 6 ? 24.552 -1.084 -2.667 1.00 0.00 ? 6 HIS B N 26 ATOM 36254 C CA . HIS B 1 6 ? 23.455 -0.725 -1.782 1.00 0.00 ? 6 HIS B CA 26 ATOM 36255 C C . HIS B 1 6 ? 22.252 -0.250 -2.588 1.00 0.00 ? 6 HIS B C 26 ATOM 36256 O O . HIS B 1 6 ? 21.110 -0.360 -2.142 1.00 0.00 ? 6 HIS B O 26 ATOM 36257 C CB . HIS B 1 6 ? 23.893 0.368 -0.804 1.00 0.00 ? 6 HIS B CB 26 ATOM 36258 C CG . HIS B 1 6 ? 24.577 -0.161 0.418 1.00 0.00 ? 6 HIS B CG 26 ATOM 36259 N ND1 . HIS B 1 6 ? 24.926 -1.486 0.572 1.00 0.00 ? 6 HIS B ND1 26 ATOM 36260 C CD2 . HIS B 1 6 ? 24.978 0.466 1.550 1.00 0.00 ? 6 HIS B CD2 26 ATOM 36261 C CE1 . HIS B 1 6 ? 25.511 -1.651 1.746 1.00 0.00 ? 6 HIS B CE1 26 ATOM 36262 N NE2 . HIS B 1 6 ? 25.555 -0.483 2.357 1.00 0.00 ? 6 HIS B NE2 26 ATOM 36263 H H . HIS B 1 6 ? 25.377 -0.555 -2.646 1.00 0.00 ? 6 HIS B H 26 ATOM 36264 H HA . HIS B 1 6 ? 23.175 -1.606 -1.223 1.00 0.00 ? 6 HIS B HA 26 ATOM 36265 H HB2 . HIS B 1 6 ? 24.578 1.036 -1.305 1.00 0.00 ? 6 HIS B HB2 26 ATOM 36266 H HB3 . HIS B 1 6 ? 23.024 0.925 -0.486 1.00 0.00 ? 6 HIS B HB3 26 ATOM 36267 H HD1 . HIS B 1 6 ? 24.769 -2.199 -0.082 1.00 0.00 ? 6 HIS B HD1 26 ATOM 36268 H HD2 . HIS B 1 6 ? 24.866 1.518 1.774 1.00 0.00 ? 6 HIS B HD2 26 ATOM 36269 H HE1 . HIS B 1 6 ? 25.889 -2.584 2.138 1.00 0.00 ? 6 HIS B HE1 26 ATOM 36270 H HE2 . HIS B 1 6 ? 25.938 -0.321 3.244 1.00 0.00 ? 6 HIS B HE2 26 ATOM 36271 N N . GLU B 1 7 ? 22.517 0.274 -3.781 1.00 0.00 ? 7 GLU B N 26 ATOM 36272 C CA . GLU B 1 7 ? 21.456 0.760 -4.653 1.00 0.00 ? 7 GLU B CA 26 ATOM 36273 C C . GLU B 1 7 ? 20.651 -0.404 -5.218 1.00 0.00 ? 7 GLU B C 26 ATOM 36274 O O . GLU B 1 7 ? 19.427 -0.333 -5.322 1.00 0.00 ? 7 GLU B O 26 ATOM 36275 C CB . GLU B 1 7 ? 22.041 1.595 -5.794 1.00 0.00 ? 7 GLU B CB 26 ATOM 36276 C CG . GLU B 1 7 ? 21.469 3.001 -5.873 1.00 0.00 ? 7 GLU B CG 26 ATOM 36277 C CD . GLU B 1 7 ? 20.124 3.045 -6.572 1.00 0.00 ? 7 GLU B CD 26 ATOM 36278 O OE1 . GLU B 1 7 ? 20.104 3.170 -7.815 1.00 0.00 ? 7 GLU B OE1 26 ATOM 36279 O OE2 . GLU B 1 7 ? 19.091 2.954 -5.876 1.00 0.00 ? 7 GLU B OE2 26 ATOM 36280 H H . GLU B 1 7 ? 23.448 0.333 -4.082 1.00 0.00 ? 7 GLU B H 26 ATOM 36281 H HA . GLU B 1 7 ? 20.800 1.381 -4.062 1.00 0.00 ? 7 GLU B HA 26 ATOM 36282 H HB2 . GLU B 1 7 ? 23.110 1.672 -5.656 1.00 0.00 ? 7 GLU B HB2 26 ATOM 36283 H HB3 . GLU B 1 7 ? 21.842 1.095 -6.730 1.00 0.00 ? 7 GLU B HB3 26 ATOM 36284 H HG2 . GLU B 1 7 ? 21.348 3.385 -4.871 1.00 0.00 ? 7 GLU B HG2 26 ATOM 36285 H HG3 . GLU B 1 7 ? 22.162 3.628 -6.417 1.00 0.00 ? 7 GLU B HG3 26 ATOM 36286 N N . ASN B 1 8 ? 21.348 -1.479 -5.575 1.00 0.00 ? 8 ASN B N 26 ATOM 36287 C CA . ASN B 1 8 ? 20.695 -2.661 -6.120 1.00 0.00 ? 8 ASN B CA 26 ATOM 36288 C C . ASN B 1 8 ? 19.748 -3.266 -5.092 1.00 0.00 ? 8 ASN B C 26 ATOM 36289 O O . ASN B 1 8 ? 18.604 -3.605 -5.405 1.00 0.00 ? 8 ASN B O 26 ATOM 36290 C CB . ASN B 1 8 ? 21.737 -3.697 -6.547 1.00 0.00 ? 8 ASN B CB 26 ATOM 36291 C CG . ASN B 1 8 ? 22.406 -3.338 -7.858 1.00 0.00 ? 8 ASN B CG 26 ATOM 36292 O OD1 . ASN B 1 8 ? 21.780 -3.371 -8.918 1.00 0.00 ? 8 ASN B OD1 26 ATOM 36293 N ND2 . ASN B 1 8 ? 23.686 -2.990 -7.794 1.00 0.00 ? 8 ASN B ND2 26 ATOM 36294 H H . ASN B 1 8 ? 22.321 -1.478 -5.464 1.00 0.00 ? 8 ASN B H 26 ATOM 36295 H HA . ASN B 1 8 ? 20.125 -2.357 -6.986 1.00 0.00 ? 8 ASN B HA 26 ATOM 36296 H HB2 . ASN B 1 8 ? 22.498 -3.769 -5.784 1.00 0.00 ? 8 ASN B HB2 26 ATOM 36297 H HB3 . ASN B 1 8 ? 21.256 -4.658 -6.661 1.00 0.00 ? 8 ASN B HB3 26 ATOM 36298 H HD21 . ASN B 1 8 ? 24.120 -2.985 -6.916 1.00 0.00 ? 8 ASN B HD21 26 ATOM 36299 H HD22 . ASN B 1 8 ? 24.144 -2.752 -8.627 1.00 0.00 ? 8 ASN B HD22 26 ATOM 36300 N N . GLU B 1 9 ? 20.227 -3.391 -3.858 1.00 0.00 ? 9 GLU B N 26 ATOM 36301 C CA . GLU B 1 9 ? 19.416 -3.945 -2.783 1.00 0.00 ? 9 GLU B CA 26 ATOM 36302 C C . GLU B 1 9 ? 18.165 -3.106 -2.579 1.00 0.00 ? 9 GLU B C 26 ATOM 36303 O O . GLU B 1 9 ? 17.055 -3.636 -2.528 1.00 0.00 ? 9 GLU B O 26 ATOM 36304 C CB . GLU B 1 9 ? 20.220 -4.020 -1.484 1.00 0.00 ? 9 GLU B CB 26 ATOM 36305 C CG . GLU B 1 9 ? 21.001 -5.314 -1.327 1.00 0.00 ? 9 GLU B CG 26 ATOM 36306 C CD . GLU B 1 9 ? 22.423 -5.204 -1.839 1.00 0.00 ? 9 GLU B CD 26 ATOM 36307 O OE1 . GLU B 1 9 ? 23.253 -4.568 -1.155 1.00 0.00 ? 9 GLU B OE1 26 ATOM 36308 O OE2 . GLU B 1 9 ? 22.708 -5.752 -2.924 1.00 0.00 ? 9 GLU B OE2 26 ATOM 36309 H H . GLU B 1 9 ? 21.144 -3.097 -3.666 1.00 0.00 ? 9 GLU B H 26 ATOM 36310 H HA . GLU B 1 9 ? 19.115 -4.939 -3.074 1.00 0.00 ? 9 GLU B HA 26 ATOM 36311 H HB2 . GLU B 1 9 ? 20.920 -3.198 -1.459 1.00 0.00 ? 9 GLU B HB2 26 ATOM 36312 H HB3 . GLU B 1 9 ? 19.542 -3.930 -0.649 1.00 0.00 ? 9 GLU B HB3 26 ATOM 36313 H HG2 . GLU B 1 9 ? 21.031 -5.576 -0.279 1.00 0.00 ? 9 GLU B HG2 26 ATOM 36314 H HG3 . GLU B 1 9 ? 20.494 -6.094 -1.878 1.00 0.00 ? 9 GLU B HG3 26 ATOM 36315 N N . ILE B 1 10 ? 18.340 -1.792 -2.485 1.00 0.00 ? 10 ILE B N 26 ATOM 36316 C CA . ILE B 1 10 ? 17.204 -0.904 -2.314 1.00 0.00 ? 10 ILE B CA 26 ATOM 36317 C C . ILE B 1 10 ? 16.384 -0.835 -3.598 1.00 0.00 ? 10 ILE B C 26 ATOM 36318 O O . ILE B 1 10 ? 15.245 -0.381 -3.591 1.00 0.00 ? 10 ILE B O 26 ATOM 36319 C CB . ILE B 1 10 ? 17.629 0.509 -1.878 1.00 0.00 ? 10 ILE B CB 26 ATOM 36320 C CG1 . ILE B 1 10 ? 18.539 1.157 -2.919 1.00 0.00 ? 10 ILE B CG1 26 ATOM 36321 C CG2 . ILE B 1 10 ? 18.327 0.447 -0.530 1.00 0.00 ? 10 ILE B CG2 26 ATOM 36322 C CD1 . ILE B 1 10 ? 19.124 2.476 -2.460 1.00 0.00 ? 10 ILE B CD1 26 ATOM 36323 H H . ILE B 1 10 ? 19.244 -1.416 -2.550 1.00 0.00 ? 10 ILE B H 26 ATOM 36324 H HA . ILE B 1 10 ? 16.583 -1.323 -1.534 1.00 0.00 ? 10 ILE B HA 26 ATOM 36325 H HB . ILE B 1 10 ? 16.739 1.109 -1.765 1.00 0.00 ? 10 ILE B HB 26 ATOM 36326 H HG12 . ILE B 1 10 ? 19.357 0.488 -3.139 1.00 0.00 ? 10 ILE B HG12 26 ATOM 36327 H HG13 . ILE B 1 10 ? 17.974 1.338 -3.822 1.00 0.00 ? 10 ILE B HG13 26 ATOM 36328 H HG21 . ILE B 1 10 ? 17.798 -0.235 0.119 1.00 0.00 ? 10 ILE B HG21 26 ATOM 36329 H HG22 . ILE B 1 10 ? 19.341 0.100 -0.666 1.00 0.00 ? 10 ILE B HG22 26 ATOM 36330 H HG23 . ILE B 1 10 ? 18.340 1.431 -0.085 1.00 0.00 ? 10 ILE B HG23 26 ATOM 36331 H HD11 . ILE B 1 10 ? 18.848 2.651 -1.427 1.00 0.00 ? 10 ILE B HD11 26 ATOM 36332 H HD12 . ILE B 1 10 ? 20.199 2.443 -2.544 1.00 0.00 ? 10 ILE B HD12 26 ATOM 36333 H HD13 . ILE B 1 10 ? 18.737 3.276 -3.076 1.00 0.00 ? 10 ILE B HD13 26 ATOM 36334 N N . SER B 1 11 ? 16.950 -1.321 -4.700 1.00 0.00 ? 11 SER B N 26 ATOM 36335 C CA . SER B 1 11 ? 16.231 -1.337 -5.960 1.00 0.00 ? 11 SER B CA 26 ATOM 36336 C C . SER B 1 11 ? 15.097 -2.348 -5.862 1.00 0.00 ? 11 SER B C 26 ATOM 36337 O O . SER B 1 11 ? 13.972 -2.096 -6.305 1.00 0.00 ? 11 SER B O 26 ATOM 36338 C CB . SER B 1 11 ? 17.169 -1.698 -7.115 1.00 0.00 ? 11 SER B CB 26 ATOM 36339 O OG . SER B 1 11 ? 17.207 -3.099 -7.325 1.00 0.00 ? 11 SER B OG 26 ATOM 36340 H H . SER B 1 11 ? 17.851 -1.698 -4.658 1.00 0.00 ? 11 SER B H 26 ATOM 36341 H HA . SER B 1 11 ? 15.816 -0.354 -6.126 1.00 0.00 ? 11 SER B HA 26 ATOM 36342 H HB2 . SER B 1 11 ? 16.823 -1.221 -8.019 1.00 0.00 ? 11 SER B HB2 26 ATOM 36343 H HB3 . SER B 1 11 ? 18.166 -1.353 -6.886 1.00 0.00 ? 11 SER B HB3 26 ATOM 36344 H HG . SER B 1 11 ? 18.057 -3.345 -7.697 1.00 0.00 ? 11 SER B HG 26 ATOM 36345 N N . HIS B 1 12 ? 15.400 -3.491 -5.248 1.00 0.00 ? 12 HIS B N 26 ATOM 36346 C CA . HIS B 1 12 ? 14.407 -4.537 -5.058 1.00 0.00 ? 12 HIS B CA 26 ATOM 36347 C C . HIS B 1 12 ? 13.354 -4.069 -4.047 1.00 0.00 ? 12 HIS B C 26 ATOM 36348 O O . HIS B 1 12 ? 12.152 -4.214 -4.276 1.00 0.00 ? 12 HIS B O 26 ATOM 36349 C CB . HIS B 1 12 ? 15.108 -5.851 -4.631 1.00 0.00 ? 12 HIS B CB 26 ATOM 36350 C CG . HIS B 1 12 ? 14.570 -6.512 -3.392 1.00 0.00 ? 12 HIS B CG 26 ATOM 36351 N ND1 . HIS B 1 12 ? 13.368 -7.187 -3.357 1.00 0.00 ? 12 HIS B ND1 26 ATOM 36352 C CD2 . HIS B 1 12 ? 15.085 -6.599 -2.143 1.00 0.00 ? 12 HIS B CD2 26 ATOM 36353 C CE1 . HIS B 1 12 ? 13.165 -7.659 -2.140 1.00 0.00 ? 12 HIS B CE1 26 ATOM 36354 N NE2 . HIS B 1 12 ? 14.192 -7.316 -1.386 1.00 0.00 ? 12 HIS B NE2 26 ATOM 36355 H H . HIS B 1 12 ? 16.313 -3.624 -4.897 1.00 0.00 ? 12 HIS B H 26 ATOM 36356 H HA . HIS B 1 12 ? 13.920 -4.696 -6.010 1.00 0.00 ? 12 HIS B HA 26 ATOM 36357 H HB2 . HIS B 1 12 ? 15.025 -6.563 -5.436 1.00 0.00 ? 12 HIS B HB2 26 ATOM 36358 H HB3 . HIS B 1 12 ? 16.155 -5.641 -4.462 1.00 0.00 ? 12 HIS B HB3 26 ATOM 36359 H HD1 . HIS B 1 12 ? 12.754 -7.301 -4.113 1.00 0.00 ? 12 HIS B HD1 26 ATOM 36360 H HD2 . HIS B 1 12 ? 16.022 -6.179 -1.806 1.00 0.00 ? 12 HIS B HD2 26 ATOM 36361 H HE1 . HIS B 1 12 ? 12.306 -8.228 -1.818 1.00 0.00 ? 12 HIS B HE1 26 ATOM 36362 H HE2 . HIS B 1 12 ? 14.299 -7.539 -0.437 1.00 0.00 ? 12 HIS B HE2 26 ATOM 36363 N N . HIS B 1 13 ? 13.815 -3.490 -2.938 1.00 0.00 ? 13 HIS B N 26 ATOM 36364 C CA . HIS B 1 13 ? 12.907 -2.989 -1.914 1.00 0.00 ? 13 HIS B CA 26 ATOM 36365 C C . HIS B 1 13 ? 11.994 -1.923 -2.497 1.00 0.00 ? 13 HIS B C 26 ATOM 36366 O O . HIS B 1 13 ? 10.876 -1.727 -2.029 1.00 0.00 ? 13 HIS B O 26 ATOM 36367 C CB . HIS B 1 13 ? 13.675 -2.399 -0.734 1.00 0.00 ? 13 HIS B CB 26 ATOM 36368 C CG . HIS B 1 13 ? 14.715 -3.304 -0.163 1.00 0.00 ? 13 HIS B CG 26 ATOM 36369 N ND1 . HIS B 1 13 ? 14.620 -4.679 -0.184 1.00 0.00 ? 13 HIS B ND1 26 ATOM 36370 C CD2 . HIS B 1 13 ? 15.879 -3.016 0.456 1.00 0.00 ? 13 HIS B CD2 26 ATOM 36371 C CE1 . HIS B 1 13 ? 15.686 -5.199 0.400 1.00 0.00 ? 13 HIS B CE1 26 ATOM 36372 N NE2 . HIS B 1 13 ? 16.466 -4.209 0.796 1.00 0.00 ? 13 HIS B NE2 26 ATOM 36373 H H . HIS B 1 13 ? 14.782 -3.390 -2.815 1.00 0.00 ? 13 HIS B H 26 ATOM 36374 H HA . HIS B 1 13 ? 12.304 -3.816 -1.567 1.00 0.00 ? 13 HIS B HA 26 ATOM 36375 H HB2 . HIS B 1 13 ? 14.171 -1.496 -1.057 1.00 0.00 ? 13 HIS B HB2 26 ATOM 36376 H HB3 . HIS B 1 13 ? 12.977 -2.155 0.052 1.00 0.00 ? 13 HIS B HB3 26 ATOM 36377 H HD1 . HIS B 1 13 ? 13.880 -5.197 -0.565 1.00 0.00 ? 13 HIS B HD1 26 ATOM 36378 H HD2 . HIS B 1 13 ? 16.267 -2.026 0.649 1.00 0.00 ? 13 HIS B HD2 26 ATOM 36379 H HE1 . HIS B 1 13 ? 15.886 -6.252 0.529 1.00 0.00 ? 13 HIS B HE1 26 ATOM 36380 H HE2 . HIS B 1 13 ? 17.323 -4.313 1.258 1.00 0.00 ? 13 HIS B HE2 26 ATOM 36381 N N . ALA B 1 14 ? 12.481 -1.235 -3.526 1.00 0.00 ? 14 ALA B N 26 ATOM 36382 C CA . ALA B 1 14 ? 11.702 -0.192 -4.176 1.00 0.00 ? 14 ALA B CA 26 ATOM 36383 C C . ALA B 1 14 ? 10.501 -0.803 -4.871 1.00 0.00 ? 14 ALA B C 26 ATOM 36384 O O . ALA B 1 14 ? 9.373 -0.342 -4.705 1.00 0.00 ? 14 ALA B O 26 ATOM 36385 C CB . ALA B 1 14 ? 12.562 0.581 -5.166 1.00 0.00 ? 14 ALA B CB 26 ATOM 36386 H H . ALA B 1 14 ? 13.377 -1.440 -3.857 1.00 0.00 ? 14 ALA B H 26 ATOM 36387 H HA . ALA B 1 14 ? 11.356 0.492 -3.414 1.00 0.00 ? 14 ALA B HA 26 ATOM 36388 H HB1 . ALA B 1 14 ? 13.518 0.091 -5.271 1.00 0.00 ? 14 ALA B HB1 26 ATOM 36389 H HB2 . ALA B 1 14 ? 12.711 1.588 -4.805 1.00 0.00 ? 14 ALA B HB2 26 ATOM 36390 H HB3 . ALA B 1 14 ? 12.066 0.612 -6.126 1.00 0.00 ? 14 ALA B HB3 26 ATOM 36391 N N . LYS B 1 15 ? 10.747 -1.863 -5.630 1.00 0.00 ? 15 LYS B N 26 ATOM 36392 C CA . LYS B 1 15 ? 9.674 -2.557 -6.324 1.00 0.00 ? 15 LYS B CA 26 ATOM 36393 C C . LYS B 1 15 ? 8.749 -3.244 -5.318 1.00 0.00 ? 15 LYS B C 26 ATOM 36394 O O . LYS B 1 15 ? 7.624 -3.615 -5.651 1.00 0.00 ? 15 LYS B O 26 ATOM 36395 C CB . LYS B 1 15 ? 10.248 -3.588 -7.299 1.00 0.00 ? 15 LYS B CB 26 ATOM 36396 C CG . LYS B 1 15 ? 10.805 -2.976 -8.574 1.00 0.00 ? 15 LYS B CG 26 ATOM 36397 C CD . LYS B 1 15 ? 12.087 -3.666 -9.009 1.00 0.00 ? 15 LYS B CD 26 ATOM 36398 C CE . LYS B 1 15 ? 11.825 -4.685 -10.107 1.00 0.00 ? 15 LYS B CE 26 ATOM 36399 N NZ . LYS B 1 15 ? 12.351 -6.032 -9.753 1.00 0.00 ? 15 LYS B NZ 26 ATOM 36400 H H . LYS B 1 15 ? 11.669 -2.196 -5.709 1.00 0.00 ? 15 LYS B H 26 ATOM 36401 H HA . LYS B 1 15 ? 9.106 -1.824 -6.877 1.00 0.00 ? 15 LYS B HA 26 ATOM 36402 H HB2 . LYS B 1 15 ? 11.044 -4.127 -6.807 1.00 0.00 ? 15 LYS B HB2 26 ATOM 36403 H HB3 . LYS B 1 15 ? 9.467 -4.284 -7.570 1.00 0.00 ? 15 LYS B HB3 26 ATOM 36404 H HG2 . LYS B 1 15 ? 10.070 -3.074 -9.359 1.00 0.00 ? 15 LYS B HG2 26 ATOM 36405 H HG3 . LYS B 1 15 ? 11.010 -1.930 -8.399 1.00 0.00 ? 15 LYS B HG3 26 ATOM 36406 H HD2 . LYS B 1 15 ? 12.776 -2.924 -9.379 1.00 0.00 ? 15 LYS B HD2 26 ATOM 36407 H HD3 . LYS B 1 15 ? 12.519 -4.171 -8.159 1.00 0.00 ? 15 LYS B HD3 26 ATOM 36408 H HE2 . LYS B 1 15 ? 10.760 -4.757 -10.268 1.00 0.00 ? 15 LYS B HE2 26 ATOM 36409 H HE3 . LYS B 1 15 ? 12.304 -4.348 -11.015 1.00 0.00 ? 15 LYS B HE3 26 ATOM 36410 H HZ1 . LYS B 1 15 ? 12.828 -5.998 -8.829 1.00 0.00 ? 15 LYS B HZ1 26 ATOM 36411 H HZ2 . LYS B 1 15 ? 11.572 -6.719 -9.703 1.00 0.00 ? 15 LYS B HZ2 26 ATOM 36412 H HZ3 . LYS B 1 15 ? 13.034 -6.350 -10.471 1.00 0.00 ? 15 LYS B HZ3 26 ATOM 36413 N N . GLU B 1 16 ? 9.234 -3.413 -4.085 1.00 0.00 ? 16 GLU B N 26 ATOM 36414 C CA . GLU B 1 16 ? 8.453 -4.056 -3.034 1.00 0.00 ? 16 GLU B CA 26 ATOM 36415 C C . GLU B 1 16 ? 7.399 -3.111 -2.459 1.00 0.00 ? 16 GLU B C 26 ATOM 36416 O O . GLU B 1 16 ? 6.239 -3.489 -2.311 1.00 0.00 ? 16 GLU B O 26 ATOM 36417 C CB . GLU B 1 16 ? 9.373 -4.550 -1.916 1.00 0.00 ? 16 GLU B CB 26 ATOM 36418 C CG . GLU B 1 16 ? 10.303 -5.673 -2.345 1.00 0.00 ? 16 GLU B CG 26 ATOM 36419 C CD . GLU B 1 16 ? 9.650 -7.038 -2.252 1.00 0.00 ? 16 GLU B CD 26 ATOM 36420 O OE1 . GLU B 1 16 ? 9.076 -7.350 -1.187 1.00 0.00 ? 16 GLU B OE1 26 ATOM 36421 O OE2 . GLU B 1 16 ? 9.712 -7.795 -3.244 1.00 0.00 ? 16 GLU B OE2 26 ATOM 36422 H H . GLU B 1 16 ? 10.140 -3.103 -3.877 1.00 0.00 ? 16 GLU B H 26 ATOM 36423 H HA . GLU B 1 16 ? 7.951 -4.906 -3.472 1.00 0.00 ? 16 GLU B HA 26 ATOM 36424 H HB2 . GLU B 1 16 ? 9.976 -3.724 -1.571 1.00 0.00 ? 16 GLU B HB2 26 ATOM 36425 H HB3 . GLU B 1 16 ? 8.767 -4.907 -1.098 1.00 0.00 ? 16 GLU B HB3 26 ATOM 36426 H HG2 . GLU B 1 16 ? 10.603 -5.504 -3.368 1.00 0.00 ? 16 GLU B HG2 26 ATOM 36427 H HG3 . GLU B 1 16 ? 11.176 -5.664 -1.708 1.00 0.00 ? 16 GLU B HG3 26 ATOM 36428 N N . ILE B 1 17 ? 7.802 -1.882 -2.135 1.00 0.00 ? 17 ILE B N 26 ATOM 36429 C CA . ILE B 1 17 ? 6.869 -0.907 -1.578 1.00 0.00 ? 17 ILE B CA 26 ATOM 36430 C C . ILE B 1 17 ? 5.935 -0.379 -2.661 1.00 0.00 ? 17 ILE B C 26 ATOM 36431 O O . ILE B 1 17 ? 4.799 0.007 -2.384 1.00 0.00 ? 17 ILE B O 26 ATOM 36432 C CB . ILE B 1 17 ? 7.612 0.273 -0.917 1.00 0.00 ? 17 ILE B CB 26 ATOM 36433 C CG1 . ILE B 1 17 ? 6.613 1.295 -0.369 1.00 0.00 ? 17 ILE B CG1 26 ATOM 36434 C CG2 . ILE B 1 17 ? 8.563 0.926 -1.908 1.00 0.00 ? 17 ILE B CG2 26 ATOM 36435 C CD1 . ILE B 1 17 ? 7.260 2.575 0.117 1.00 0.00 ? 17 ILE B CD1 26 ATOM 36436 H H . ILE B 1 17 ? 8.741 -1.625 -2.271 1.00 0.00 ? 17 ILE B H 26 ATOM 36437 H HA . ILE B 1 17 ? 6.275 -1.403 -0.821 1.00 0.00 ? 17 ILE B HA 26 ATOM 36438 H HB . ILE B 1 17 ? 8.199 -0.118 -0.100 1.00 0.00 ? 17 ILE B HB 26 ATOM 36439 H HG12 . ILE B 1 17 ? 5.910 1.554 -1.146 1.00 0.00 ? 17 ILE B HG12 26 ATOM 36440 H HG13 . ILE B 1 17 ? 6.079 0.855 0.461 1.00 0.00 ? 17 ILE B HG13 26 ATOM 36441 H HG21 . ILE B 1 17 ? 8.486 0.427 -2.863 1.00 0.00 ? 17 ILE B HG21 26 ATOM 36442 H HG22 . ILE B 1 17 ? 8.303 1.967 -2.024 1.00 0.00 ? 17 ILE B HG22 26 ATOM 36443 H HG23 . ILE B 1 17 ? 9.575 0.846 -1.541 1.00 0.00 ? 17 ILE B HG23 26 ATOM 36444 H HD11 . ILE B 1 17 ? 8.176 2.339 0.636 1.00 0.00 ? 17 ILE B HD11 26 ATOM 36445 H HD12 . ILE B 1 17 ? 7.476 3.212 -0.727 1.00 0.00 ? 17 ILE B HD12 26 ATOM 36446 H HD13 . ILE B 1 17 ? 6.586 3.085 0.790 1.00 0.00 ? 17 ILE B HD13 26 ATOM 36447 N N . GLU B 1 18 ? 6.419 -0.377 -3.899 1.00 0.00 ? 18 GLU B N 26 ATOM 36448 C CA . GLU B 1 18 ? 5.626 0.088 -5.028 1.00 0.00 ? 18 GLU B CA 26 ATOM 36449 C C . GLU B 1 18 ? 4.646 -0.994 -5.466 1.00 0.00 ? 18 GLU B C 26 ATOM 36450 O O . GLU B 1 18 ? 3.544 -0.700 -5.929 1.00 0.00 ? 18 GLU B O 26 ATOM 36451 C CB . GLU B 1 18 ? 6.534 0.476 -6.196 1.00 0.00 ? 18 GLU B CB 26 ATOM 36452 C CG . GLU B 1 18 ? 5.994 1.626 -7.031 1.00 0.00 ? 18 GLU B CG 26 ATOM 36453 C CD . GLU B 1 18 ? 5.401 1.163 -8.346 1.00 0.00 ? 18 GLU B CD 26 ATOM 36454 O OE1 . GLU B 1 18 ? 6.179 0.855 -9.273 1.00 0.00 ? 18 GLU B OE1 26 ATOM 36455 O OE2 . GLU B 1 18 ? 4.157 1.107 -8.449 1.00 0.00 ? 18 GLU B OE2 26 ATOM 36456 H H . GLU B 1 18 ? 7.327 -0.709 -4.058 1.00 0.00 ? 18 GLU B H 26 ATOM 36457 H HA . GLU B 1 18 ? 5.069 0.957 -4.709 1.00 0.00 ? 18 GLU B HA 26 ATOM 36458 H HB2 . GLU B 1 18 ? 7.499 0.765 -5.805 1.00 0.00 ? 18 GLU B HB2 26 ATOM 36459 H HB3 . GLU B 1 18 ? 6.659 -0.381 -6.841 1.00 0.00 ? 18 GLU B HB3 26 ATOM 36460 H HG2 . GLU B 1 18 ? 5.226 2.134 -6.466 1.00 0.00 ? 18 GLU B HG2 26 ATOM 36461 H HG3 . GLU B 1 18 ? 6.802 2.313 -7.238 1.00 0.00 ? 18 GLU B HG3 26 ATOM 36462 N N . ARG B 1 19 ? 5.057 -2.248 -5.307 1.00 0.00 ? 19 ARG B N 26 ATOM 36463 C CA . ARG B 1 19 ? 4.218 -3.379 -5.676 1.00 0.00 ? 19 ARG B CA 26 ATOM 36464 C C . ARG B 1 19 ? 3.040 -3.504 -4.719 1.00 0.00 ? 19 ARG B C 26 ATOM 36465 O O . ARG B 1 19 ? 1.897 -3.696 -5.143 1.00 0.00 ? 19 ARG B O 26 ATOM 36466 C CB . ARG B 1 19 ? 5.035 -4.673 -5.672 1.00 0.00 ? 19 ARG B CB 26 ATOM 36467 C CG . ARG B 1 19 ? 4.212 -5.914 -5.975 1.00 0.00 ? 19 ARG B CG 26 ATOM 36468 C CD . ARG B 1 19 ? 4.871 -7.168 -5.422 1.00 0.00 ? 19 ARG B CD 26 ATOM 36469 N NE . ARG B 1 19 ? 4.233 -8.385 -5.915 1.00 0.00 ? 19 ARG B NE 26 ATOM 36470 C CZ . ARG B 1 19 ? 4.484 -9.596 -5.429 1.00 0.00 ? 19 ARG B CZ 26 ATOM 36471 N NH1 . ARG B 1 19 ? 5.357 -9.749 -4.443 1.00 0.00 ? 19 ARG B NH1 26 ATOM 36472 N NH2 . ARG B 1 19 ? 3.863 -10.655 -5.930 1.00 0.00 ? 19 ARG B NH2 26 ATOM 36473 H H . ARG B 1 19 ? 5.945 -2.416 -4.927 1.00 0.00 ? 19 ARG B H 26 ATOM 36474 H HA . ARG B 1 19 ? 3.842 -3.203 -6.673 1.00 0.00 ? 19 ARG B HA 26 ATOM 36475 H HB2 . ARG B 1 19 ? 5.815 -4.595 -6.415 1.00 0.00 ? 19 ARG B HB2 26 ATOM 36476 H HB3 . ARG B 1 19 ? 5.488 -4.796 -4.699 1.00 0.00 ? 19 ARG B HB3 26 ATOM 36477 H HG2 . ARG B 1 19 ? 3.237 -5.806 -5.527 1.00 0.00 ? 19 ARG B HG2 26 ATOM 36478 H HG3 . ARG B 1 19 ? 4.110 -6.014 -7.045 1.00 0.00 ? 19 ARG B HG3 26 ATOM 36479 H HD2 . ARG B 1 19 ? 5.910 -7.173 -5.718 1.00 0.00 ? 19 ARG B HD2 26 ATOM 36480 H HD3 . ARG B 1 19 ? 4.804 -7.149 -4.344 1.00 0.00 ? 19 ARG B HD3 26 ATOM 36481 H HE . ARG B 1 19 ? 3.584 -8.294 -6.644 1.00 0.00 ? 19 ARG B HE 26 ATOM 36482 H HH11 . ARG B 1 19 ? 5.826 -8.952 -4.063 1.00 0.00 ? 19 ARG B HH11 26 ATOM 36483 H HH12 . ARG B 1 19 ? 5.545 -10.660 -4.078 1.00 0.00 ? 19 ARG B HH12 26 ATOM 36484 H HH21 . ARG B 1 19 ? 3.205 -10.544 -6.673 1.00 0.00 ? 19 ARG B HH21 26 ATOM 36485 H HH22 . ARG B 1 19 ? 4.054 -11.567 -5.563 1.00 0.00 ? 19 ARG B HH22 26 ATOM 36486 N N . LEU B 1 20 ? 3.318 -3.383 -3.424 1.00 0.00 ? 20 LEU B N 26 ATOM 36487 C CA . LEU B 1 20 ? 2.273 -3.473 -2.420 1.00 0.00 ? 20 LEU B CA 26 ATOM 36488 C C . LEU B 1 20 ? 1.313 -2.301 -2.559 1.00 0.00 ? 20 LEU B C 26 ATOM 36489 O O . LEU B 1 20 ? 0.104 -2.453 -2.397 1.00 0.00 ? 20 LEU B O 26 ATOM 36490 C CB . LEU B 1 20 ? 2.881 -3.496 -1.016 1.00 0.00 ? 20 LEU B CB 26 ATOM 36491 C CG . LEU B 1 20 ? 3.989 -4.529 -0.809 1.00 0.00 ? 20 LEU B CG 26 ATOM 36492 C CD1 . LEU B 1 20 ? 5.010 -4.022 0.197 1.00 0.00 ? 20 LEU B CD1 26 ATOM 36493 C CD2 . LEU B 1 20 ? 3.402 -5.856 -0.354 1.00 0.00 ? 20 LEU B CD2 26 ATOM 36494 H H . LEU B 1 20 ? 4.244 -3.218 -3.139 1.00 0.00 ? 20 LEU B H 26 ATOM 36495 H HA . LEU B 1 20 ? 1.730 -4.392 -2.586 1.00 0.00 ? 20 LEU B HA 26 ATOM 36496 H HB2 . LEU B 1 20 ? 3.284 -2.517 -0.805 1.00 0.00 ? 20 LEU B HB2 26 ATOM 36497 H HB3 . LEU B 1 20 ? 2.092 -3.704 -0.309 1.00 0.00 ? 20 LEU B HB3 26 ATOM 36498 H HG . LEU B 1 20 ? 4.500 -4.692 -1.748 1.00 0.00 ? 20 LEU B HG 26 ATOM 36499 H HD11 . LEU B 1 20 ? 5.388 -3.063 -0.123 1.00 0.00 ? 20 LEU B HD11 26 ATOM 36500 H HD12 . LEU B 1 20 ? 4.542 -3.919 1.165 1.00 0.00 ? 20 LEU B HD12 26 ATOM 36501 H HD13 . LEU B 1 20 ? 5.828 -4.725 0.267 1.00 0.00 ? 20 LEU B HD13 26 ATOM 36502 H HD21 . LEU B 1 20 ? 2.421 -5.691 0.064 1.00 0.00 ? 20 LEU B HD21 26 ATOM 36503 H HD22 . LEU B 1 20 ? 3.326 -6.525 -1.198 1.00 0.00 ? 20 LEU B HD22 26 ATOM 36504 H HD23 . LEU B 1 20 ? 4.044 -6.296 0.396 1.00 0.00 ? 20 LEU B HD23 26 ATOM 36505 N N . GLN B 1 21 ? 1.865 -1.130 -2.867 1.00 0.00 ? 21 GLN B N 26 ATOM 36506 C CA . GLN B 1 21 ? 1.061 0.072 -3.038 1.00 0.00 ? 21 GLN B CA 26 ATOM 36507 C C . GLN B 1 21 ? 0.085 -0.096 -4.198 1.00 0.00 ? 21 GLN B C 26 ATOM 36508 O O . GLN B 1 21 ? -1.033 0.415 -4.161 1.00 0.00 ? 21 GLN B O 26 ATOM 36509 C CB . GLN B 1 21 ? 1.962 1.284 -3.282 1.00 0.00 ? 21 GLN B CB 26 ATOM 36510 C CG . GLN B 1 21 ? 1.197 2.554 -3.620 1.00 0.00 ? 21 GLN B CG 26 ATOM 36511 C CD . GLN B 1 21 ? 2.110 3.687 -4.047 1.00 0.00 ? 21 GLN B CD 26 ATOM 36512 O OE1 . GLN B 1 21 ? 2.019 4.800 -3.530 1.00 0.00 ? 21 GLN B OE1 26 ATOM 36513 N NE2 . GLN B 1 21 ? 2.997 3.408 -4.995 1.00 0.00 ? 21 GLN B NE2 26 ATOM 36514 H H . GLN B 1 21 ? 2.837 -1.076 -2.987 1.00 0.00 ? 21 GLN B H 26 ATOM 36515 H HA . GLN B 1 21 ? 0.498 0.228 -2.129 1.00 0.00 ? 21 GLN B HA 26 ATOM 36516 H HB2 . GLN B 1 21 ? 2.548 1.467 -2.394 1.00 0.00 ? 21 GLN B HB2 26 ATOM 36517 H HB3 . GLN B 1 21 ? 2.629 1.062 -4.103 1.00 0.00 ? 21 GLN B HB3 26 ATOM 36518 H HG2 . GLN B 1 21 ? 0.512 2.342 -4.426 1.00 0.00 ? 21 GLN B HG2 26 ATOM 36519 H HG3 . GLN B 1 21 ? 0.643 2.867 -2.747 1.00 0.00 ? 21 GLN B HG3 26 ATOM 36520 H HE21 . GLN B 1 21 ? 3.013 2.499 -5.362 1.00 0.00 ? 21 GLN B HE21 26 ATOM 36521 H HE22 . GLN B 1 21 ? 3.600 4.122 -5.290 1.00 0.00 ? 21 GLN B HE22 26 ATOM 36522 N N . LYS B 1 22 ? 0.515 -0.822 -5.225 1.00 0.00 ? 22 LYS B N 26 ATOM 36523 C CA . LYS B 1 22 ? -0.326 -1.064 -6.389 1.00 0.00 ? 22 LYS B CA 26 ATOM 36524 C C . LYS B 1 22 ? -1.559 -1.871 -5.998 1.00 0.00 ? 22 LYS B C 26 ATOM 36525 O O . LYS B 1 22 ? -2.689 -1.500 -6.318 1.00 0.00 ? 22 LYS B O 26 ATOM 36526 C CB . LYS B 1 22 ? 0.461 -1.804 -7.473 1.00 0.00 ? 22 LYS B CB 26 ATOM 36527 C CG . LYS B 1 22 ? -0.308 -1.981 -8.771 1.00 0.00 ? 22 LYS B CG 26 ATOM 36528 C CD . LYS B 1 22 ? -0.017 -3.330 -9.412 1.00 0.00 ? 22 LYS B CD 26 ATOM 36529 C CE . LYS B 1 22 ? 1.467 -3.507 -9.688 1.00 0.00 ? 22 LYS B CE 26 ATOM 36530 N NZ . LYS B 1 22 ? 1.717 -4.516 -10.754 1.00 0.00 ? 22 LYS B NZ 26 ATOM 36531 H H . LYS B 1 22 ? 1.415 -1.208 -5.195 1.00 0.00 ? 22 LYS B H 26 ATOM 36532 H HA . LYS B 1 22 ? -0.644 -0.106 -6.775 1.00 0.00 ? 22 LYS B HA 26 ATOM 36533 H HB2 . LYS B 1 22 ? 1.364 -1.249 -7.687 1.00 0.00 ? 22 LYS B HB2 26 ATOM 36534 H HB3 . LYS B 1 22 ? 0.729 -2.782 -7.102 1.00 0.00 ? 22 LYS B HB3 26 ATOM 36535 H HG2 . LYS B 1 22 ? -1.365 -1.912 -8.565 1.00 0.00 ? 22 LYS B HG2 26 ATOM 36536 H HG3 . LYS B 1 22 ? -0.021 -1.198 -9.458 1.00 0.00 ? 22 LYS B HG3 26 ATOM 36537 H HD2 . LYS B 1 22 ? -0.344 -4.112 -8.744 1.00 0.00 ? 22 LYS B HD2 26 ATOM 36538 H HD3 . LYS B 1 22 ? -0.559 -3.399 -10.343 1.00 0.00 ? 22 LYS B HD3 26 ATOM 36539 H HE2 . LYS B 1 22 ? 1.878 -2.558 -10.000 1.00 0.00 ? 22 LYS B HE2 26 ATOM 36540 H HE3 . LYS B 1 22 ? 1.953 -3.828 -8.778 1.00 0.00 ? 22 LYS B HE3 26 ATOM 36541 H HZ1 . LYS B 1 22 ? 1.305 -5.432 -10.482 1.00 0.00 ? 22 LYS B HZ1 26 ATOM 36542 H HZ2 . LYS B 1 22 ? 1.286 -4.206 -11.648 1.00 0.00 ? 22 LYS B HZ2 26 ATOM 36543 H HZ3 . LYS B 1 22 ? 2.739 -4.638 -10.899 1.00 0.00 ? 22 LYS B HZ3 26 ATOM 36544 N N . GLU B 1 23 ? -1.331 -2.976 -5.294 1.00 0.00 ? 23 GLU B N 26 ATOM 36545 C CA . GLU B 1 23 ? -2.423 -3.835 -4.850 1.00 0.00 ? 23 GLU B CA 26 ATOM 36546 C C . GLU B 1 23 ? -3.426 -3.048 -4.011 1.00 0.00 ? 23 GLU B C 26 ATOM 36547 O O . GLU B 1 23 ? -4.641 -3.195 -4.170 1.00 0.00 ? 23 GLU B O 26 ATOM 36548 C CB . GLU B 1 23 ? -1.876 -5.012 -4.040 1.00 0.00 ? 23 GLU B CB 26 ATOM 36549 C CG . GLU B 1 23 ? -2.887 -6.127 -3.828 1.00 0.00 ? 23 GLU B CG 26 ATOM 36550 C CD . GLU B 1 23 ? -2.950 -7.087 -5.000 1.00 0.00 ? 23 GLU B CD 26 ATOM 36551 O OE1 . GLU B 1 23 ? -2.080 -7.981 -5.083 1.00 0.00 ? 23 GLU B OE1 26 ATOM 36552 O OE2 . GLU B 1 23 ? -3.868 -6.945 -5.834 1.00 0.00 ? 23 GLU B OE2 26 ATOM 36553 H H . GLU B 1 23 ? -0.406 -3.217 -5.065 1.00 0.00 ? 23 GLU B H 26 ATOM 36554 H HA . GLU B 1 23 ? -2.925 -4.214 -5.728 1.00 0.00 ? 23 GLU B HA 26 ATOM 36555 H HB2 . GLU B 1 23 ? -1.021 -5.423 -4.557 1.00 0.00 ? 23 GLU B HB2 26 ATOM 36556 H HB3 . GLU B 1 23 ? -1.561 -4.653 -3.072 1.00 0.00 ? 23 GLU B HB3 26 ATOM 36557 H HG2 . GLU B 1 23 ? -2.612 -6.681 -2.944 1.00 0.00 ? 23 GLU B HG2 26 ATOM 36558 H HG3 . GLU B 1 23 ? -3.864 -5.688 -3.688 1.00 0.00 ? 23 GLU B HG3 26 ATOM 36559 N N . ILE B 1 24 ? -2.913 -2.204 -3.121 1.00 0.00 ? 24 ILE B N 26 ATOM 36560 C CA . ILE B 1 24 ? -3.772 -1.393 -2.267 1.00 0.00 ? 24 ILE B CA 26 ATOM 36561 C C . ILE B 1 24 ? -4.582 -0.420 -3.122 1.00 0.00 ? 24 ILE B C 26 ATOM 36562 O O . ILE B 1 24 ? -5.699 -0.044 -2.770 1.00 0.00 ? 24 ILE B O 26 ATOM 36563 C CB . ILE B 1 24 ? -2.971 -0.635 -1.159 1.00 0.00 ? 24 ILE B CB 26 ATOM 36564 C CG1 . ILE B 1 24 ? -2.555 0.780 -1.590 1.00 0.00 ? 24 ILE B CG1 26 ATOM 36565 C CG2 . ILE B 1 24 ? -1.741 -1.428 -0.745 1.00 0.00 ? 24 ILE B CG2 26 ATOM 36566 C CD1 . ILE B 1 24 ? -3.474 1.856 -1.055 1.00 0.00 ? 24 ILE B CD1 26 ATOM 36567 H H . ILE B 1 24 ? -1.941 -2.121 -3.044 1.00 0.00 ? 24 ILE B H 26 ATOM 36568 H HA . ILE B 1 24 ? -4.463 -2.066 -1.774 1.00 0.00 ? 24 ILE B HA 26 ATOM 36569 H HB . ILE B 1 24 ? -3.611 -0.557 -0.292 1.00 0.00 ? 24 ILE B HB 26 ATOM 36570 H HG12 . ILE B 1 24 ? -1.558 0.983 -1.226 1.00 0.00 ? 24 ILE B HG12 26 ATOM 36571 H HG13 . ILE B 1 24 ? -2.560 0.842 -2.667 1.00 0.00 ? 24 ILE B HG13 26 ATOM 36572 H HG21 . ILE B 1 24 ? -1.812 -2.433 -1.131 1.00 0.00 ? 24 ILE B HG21 26 ATOM 36573 H HG22 . ILE B 1 24 ? -0.857 -0.952 -1.139 1.00 0.00 ? 24 ILE B HG22 26 ATOM 36574 H HG23 . ILE B 1 24 ? -1.682 -1.459 0.331 1.00 0.00 ? 24 ILE B HG23 26 ATOM 36575 H HD11 . ILE B 1 24 ? -4.218 1.404 -0.412 1.00 0.00 ? 24 ILE B HD11 26 ATOM 36576 H HD12 . ILE B 1 24 ? -2.897 2.573 -0.489 1.00 0.00 ? 24 ILE B HD12 26 ATOM 36577 H HD13 . ILE B 1 24 ? -3.963 2.354 -1.878 1.00 0.00 ? 24 ILE B HD13 26 ATOM 36578 N N . GLU B 1 25 ? -4.000 -0.027 -4.253 1.00 0.00 ? 25 GLU B N 26 ATOM 36579 C CA . GLU B 1 25 ? -4.656 0.890 -5.173 1.00 0.00 ? 25 GLU B CA 26 ATOM 36580 C C . GLU B 1 25 ? -5.946 0.275 -5.694 1.00 0.00 ? 25 GLU B C 26 ATOM 36581 O O . GLU B 1 25 ? -6.993 0.919 -5.708 1.00 0.00 ? 25 GLU B O 26 ATOM 36582 C CB . GLU B 1 25 ? -3.728 1.229 -6.341 1.00 0.00 ? 25 GLU B CB 26 ATOM 36583 C CG . GLU B 1 25 ? -4.141 2.477 -7.104 1.00 0.00 ? 25 GLU B CG 26 ATOM 36584 C CD . GLU B 1 25 ? -3.714 2.440 -8.558 1.00 0.00 ? 25 GLU B CD 26 ATOM 36585 O OE1 . GLU B 1 25 ? -4.454 1.860 -9.380 1.00 0.00 ? 25 GLU B OE1 26 ATOM 36586 O OE2 . GLU B 1 25 ? -2.638 2.991 -8.875 1.00 0.00 ? 25 GLU B OE2 26 ATOM 36587 H H . GLU B 1 25 ? -3.110 -0.369 -4.476 1.00 0.00 ? 25 GLU B H 26 ATOM 36588 H HA . GLU B 1 25 ? -4.890 1.794 -4.632 1.00 0.00 ? 25 GLU B HA 26 ATOM 36589 H HB2 . GLU B 1 25 ? -2.728 1.383 -5.959 1.00 0.00 ? 25 GLU B HB2 26 ATOM 36590 H HB3 . GLU B 1 25 ? -3.717 0.399 -7.031 1.00 0.00 ? 25 GLU B HB3 26 ATOM 36591 H HG2 . GLU B 1 25 ? -5.217 2.568 -7.064 1.00 0.00 ? 25 GLU B HG2 26 ATOM 36592 H HG3 . GLU B 1 25 ? -3.691 3.338 -6.633 1.00 0.00 ? 25 GLU B HG3 26 ATOM 36593 N N . ARG B 1 26 ? -5.868 -0.983 -6.110 1.00 0.00 ? 26 ARG B N 26 ATOM 36594 C CA . ARG B 1 26 ? -7.038 -1.685 -6.614 1.00 0.00 ? 26 ARG B CA 26 ATOM 36595 C C . ARG B 1 26 ? -8.133 -1.704 -5.553 1.00 0.00 ? 26 ARG B C 26 ATOM 36596 O O . ARG B 1 26 ? -9.301 -1.423 -5.837 1.00 0.00 ? 26 ARG B O 26 ATOM 36597 C CB . ARG B 1 26 ? -6.671 -3.115 -7.017 1.00 0.00 ? 26 ARG B CB 26 ATOM 36598 C CG . ARG B 1 26 ? -7.869 -3.967 -7.400 1.00 0.00 ? 26 ARG B CG 26 ATOM 36599 C CD . ARG B 1 26 ? -7.511 -5.444 -7.445 1.00 0.00 ? 26 ARG B CD 26 ATOM 36600 N NE . ARG B 1 26 ? -8.678 -6.282 -7.699 1.00 0.00 ? 26 ARG B NE 26 ATOM 36601 C CZ . ARG B 1 26 ? -8.656 -7.610 -7.651 1.00 0.00 ? 26 ARG B CZ 26 ATOM 36602 N NH1 . ARG B 1 26 ? -7.530 -8.246 -7.361 1.00 0.00 ? 26 ARG B NH1 26 ATOM 36603 N NH2 . ARG B 1 26 ? -9.760 -8.304 -7.896 1.00 0.00 ? 26 ARG B NH2 26 ATOM 36604 H H . ARG B 1 26 ? -5.006 -1.451 -6.066 1.00 0.00 ? 26 ARG B H 26 ATOM 36605 H HA . ARG B 1 26 ? -7.399 -1.154 -7.482 1.00 0.00 ? 26 ARG B HA 26 ATOM 36606 H HB2 . ARG B 1 26 ? -5.998 -3.078 -7.861 1.00 0.00 ? 26 ARG B HB2 26 ATOM 36607 H HB3 . ARG B 1 26 ? -6.167 -3.592 -6.188 1.00 0.00 ? 26 ARG B HB3 26 ATOM 36608 H HG2 . ARG B 1 26 ? -8.652 -3.819 -6.671 1.00 0.00 ? 26 ARG B HG2 26 ATOM 36609 H HG3 . ARG B 1 26 ? -8.219 -3.660 -8.375 1.00 0.00 ? 26 ARG B HG3 26 ATOM 36610 H HD2 . ARG B 1 26 ? -6.788 -5.603 -8.230 1.00 0.00 ? 26 ARG B HD2 26 ATOM 36611 H HD3 . ARG B 1 26 ? -7.078 -5.725 -6.496 1.00 0.00 ? 26 ARG B HD3 26 ATOM 36612 H HE . ARG B 1 26 ? -9.523 -5.833 -7.917 1.00 0.00 ? 26 ARG B HE 26 ATOM 36613 H HH11 . ARG B 1 26 ? -6.695 -7.728 -7.175 1.00 0.00 ? 26 ARG B HH11 26 ATOM 36614 H HH12 . ARG B 1 26 ? -7.514 -9.246 -7.324 1.00 0.00 ? 26 ARG B HH12 26 ATOM 36615 H HH21 . ARG B 1 26 ? -10.611 -7.827 -8.116 1.00 0.00 ? 26 ARG B HH21 26 ATOM 36616 H HH22 . ARG B 1 26 ? -9.741 -9.303 -7.860 1.00 0.00 ? 26 ARG B HH22 26 ATOM 36617 N N . HIS B 1 27 ? -7.743 -2.029 -4.322 1.00 0.00 ? 27 HIS B N 26 ATOM 36618 C CA . HIS B 1 27 ? -8.689 -2.075 -3.217 1.00 0.00 ? 27 HIS B CA 26 ATOM 36619 C C . HIS B 1 27 ? -9.222 -0.682 -2.899 1.00 0.00 ? 27 HIS B C 26 ATOM 36620 O O . HIS B 1 27 ? -10.296 -0.542 -2.315 1.00 0.00 ? 27 HIS B O 26 ATOM 36621 C CB . HIS B 1 27 ? -8.028 -2.677 -1.976 1.00 0.00 ? 27 HIS B CB 26 ATOM 36622 C CG . HIS B 1 27 ? -8.601 -4.001 -1.579 1.00 0.00 ? 27 HIS B CG 26 ATOM 36623 N ND1 . HIS B 1 27 ? -9.903 -4.161 -1.152 1.00 0.00 ? 27 HIS B ND1 26 ATOM 36624 C CD2 . HIS B 1 27 ? -8.043 -5.234 -1.548 1.00 0.00 ? 27 HIS B CD2 26 ATOM 36625 C CE1 . HIS B 1 27 ? -10.120 -5.434 -0.875 1.00 0.00 ? 27 HIS B CE1 26 ATOM 36626 N NE2 . HIS B 1 27 ? -9.008 -6.106 -1.107 1.00 0.00 ? 27 HIS B NE2 26 ATOM 36627 H H . HIS B 1 27 ? -6.797 -2.235 -4.152 1.00 0.00 ? 27 HIS B H 26 ATOM 36628 H HA . HIS B 1 27 ? -9.515 -2.703 -3.514 1.00 0.00 ? 27 HIS B HA 26 ATOM 36629 H HB2 . HIS B 1 27 ? -6.974 -2.815 -2.169 1.00 0.00 ? 27 HIS B HB2 26 ATOM 36630 H HB3 . HIS B 1 27 ? -8.151 -1.997 -1.146 1.00 0.00 ? 27 HIS B HB3 26 ATOM 36631 H HD1 . HIS B 1 27 ? -10.569 -3.447 -1.065 1.00 0.00 ? 27 HIS B HD1 26 ATOM 36632 H HD2 . HIS B 1 27 ? -7.026 -5.485 -1.819 1.00 0.00 ? 27 HIS B HD2 26 ATOM 36633 H HE1 . HIS B 1 27 ? -11.050 -5.854 -0.521 1.00 0.00 ? 27 HIS B HE1 26 ATOM 36634 H HE2 . HIS B 1 27 ? -8.892 -7.071 -0.984 1.00 0.00 ? 27 HIS B HE2 26 ATOM 36635 N N . LYS B 1 28 ? -8.470 0.347 -3.285 1.00 0.00 ? 28 LYS B N 26 ATOM 36636 C CA . LYS B 1 28 ? -8.882 1.723 -3.032 1.00 0.00 ? 28 LYS B CA 26 ATOM 36637 C C . LYS B 1 28 ? -9.917 2.176 -4.058 1.00 0.00 ? 28 LYS B C 26 ATOM 36638 O O . LYS B 1 28 ? -10.733 3.056 -3.784 1.00 0.00 ? 28 LYS B O 26 ATOM 36639 C CB . LYS B 1 28 ? -7.658 2.663 -3.012 1.00 0.00 ? 28 LYS B CB 26 ATOM 36640 C CG . LYS B 1 28 ? -7.301 3.301 -4.353 1.00 0.00 ? 28 LYS B CG 26 ATOM 36641 C CD . LYS B 1 28 ? -7.624 4.786 -4.364 1.00 0.00 ? 28 LYS B CD 26 ATOM 36642 C CE . LYS B 1 28 ? -7.490 5.375 -5.759 1.00 0.00 ? 28 LYS B CE 26 ATOM 36643 N NZ . LYS B 1 28 ? -6.167 6.026 -5.962 1.00 0.00 ? 28 LYS B NZ 26 ATOM 36644 H H . LYS B 1 28 ? -7.625 0.178 -3.749 1.00 0.00 ? 28 LYS B H 26 ATOM 36645 H HA . LYS B 1 28 ? -9.344 1.741 -2.059 1.00 0.00 ? 28 LYS B HA 26 ATOM 36646 H HB2 . LYS B 1 28 ? -7.848 3.458 -2.309 1.00 0.00 ? 28 LYS B HB2 26 ATOM 36647 H HB3 . LYS B 1 28 ? -6.801 2.100 -2.672 1.00 0.00 ? 28 LYS B HB3 26 ATOM 36648 H HG2 . LYS B 1 28 ? -6.245 3.175 -4.532 1.00 0.00 ? 28 LYS B HG2 26 ATOM 36649 H HG3 . LYS B 1 28 ? -7.860 2.816 -5.137 1.00 0.00 ? 28 LYS B HG3 26 ATOM 36650 H HD2 . LYS B 1 28 ? -8.639 4.926 -4.021 1.00 0.00 ? 28 LYS B HD2 26 ATOM 36651 H HD3 . LYS B 1 28 ? -6.943 5.298 -3.700 1.00 0.00 ? 28 LYS B HD3 26 ATOM 36652 H HE2 . LYS B 1 28 ? -7.606 4.583 -6.483 1.00 0.00 ? 28 LYS B HE2 26 ATOM 36653 H HE3 . LYS B 1 28 ? -8.269 6.109 -5.902 1.00 0.00 ? 28 LYS B HE3 26 ATOM 36654 H HZ1 . LYS B 1 28 ? -5.531 5.797 -5.170 1.00 0.00 ? 28 LYS B HZ1 26 ATOM 36655 H HZ2 . LYS B 1 28 ? -5.735 5.690 -6.846 1.00 0.00 ? 28 LYS B HZ2 26 ATOM 36656 H HZ3 . LYS B 1 28 ? -6.280 7.058 -6.015 1.00 0.00 ? 28 LYS B HZ3 26 ATOM 36657 N N . GLN B 1 29 ? -9.879 1.565 -5.236 1.00 0.00 ? 29 GLN B N 26 ATOM 36658 C CA . GLN B 1 29 ? -10.817 1.899 -6.298 1.00 0.00 ? 29 GLN B CA 26 ATOM 36659 C C . GLN B 1 29 ? -12.196 1.338 -5.979 1.00 0.00 ? 29 GLN B C 26 ATOM 36660 O O . GLN B 1 29 ? -13.211 2.011 -6.164 1.00 0.00 ? 29 GLN B O 26 ATOM 36661 C CB . GLN B 1 29 ? -10.324 1.351 -7.639 1.00 0.00 ? 29 GLN B CB 26 ATOM 36662 C CG . GLN B 1 29 ? -11.294 1.580 -8.785 1.00 0.00 ? 29 GLN B CG 26 ATOM 36663 C CD . GLN B 1 29 ? -11.103 0.590 -9.917 1.00 0.00 ? 29 GLN B CD 26 ATOM 36664 O OE1 . GLN B 1 29 ? -10.983 -0.614 -9.691 1.00 0.00 ? 29 GLN B OE1 26 ATOM 36665 N NE2 . GLN B 1 29 ? -11.071 1.094 -11.146 1.00 0.00 ? 29 GLN B NE2 26 ATOM 36666 H H . GLN B 1 29 ? -9.206 0.870 -5.392 1.00 0.00 ? 29 GLN B H 26 ATOM 36667 H HA . GLN B 1 29 ? -10.883 2.976 -6.358 1.00 0.00 ? 29 GLN B HA 26 ATOM 36668 H HB2 . GLN B 1 29 ? -9.387 1.829 -7.887 1.00 0.00 ? 29 GLN B HB2 26 ATOM 36669 H HB3 . GLN B 1 29 ? -10.159 0.288 -7.541 1.00 0.00 ? 29 GLN B HB3 26 ATOM 36670 H HG2 . GLN B 1 29 ? -12.303 1.484 -8.411 1.00 0.00 ? 29 GLN B HG2 26 ATOM 36671 H HG3 . GLN B 1 29 ? -11.148 2.578 -9.171 1.00 0.00 ? 29 GLN B HG3 26 ATOM 36672 H HE21 . GLN B 1 29 ? -11.173 2.064 -11.251 1.00 0.00 ? 29 GLN B HE21 26 ATOM 36673 H HE22 . GLN B 1 29 ? -10.949 0.477 -11.897 1.00 0.00 ? 29 GLN B HE22 26 ATOM 36674 N N . SER B 1 30 ? -12.224 0.103 -5.492 1.00 0.00 ? 30 SER B N 26 ATOM 36675 C CA . SER B 1 30 ? -13.481 -0.547 -5.139 1.00 0.00 ? 30 SER B CA 26 ATOM 36676 C C . SER B 1 30 ? -14.137 0.148 -3.948 1.00 0.00 ? 30 SER B C 26 ATOM 36677 O O . SER B 1 30 ? -15.332 0.451 -3.971 1.00 0.00 ? 30 SER B O 26 ATOM 36678 C CB . SER B 1 30 ? -13.243 -2.023 -4.815 1.00 0.00 ? 30 SER B CB 26 ATOM 36679 O OG . SER B 1 30 ? -11.943 -2.228 -4.291 1.00 0.00 ? 30 SER B OG 26 ATOM 36680 H H . SER B 1 30 ? -11.379 -0.383 -5.363 1.00 0.00 ? 30 SER B H 26 ATOM 36681 H HA . SER B 1 30 ? -14.141 -0.476 -5.991 1.00 0.00 ? 30 SER B HA 26 ATOM 36682 H HB2 . SER B 1 30 ? -13.968 -2.350 -4.084 1.00 0.00 ? 30 SER B HB2 26 ATOM 36683 H HB3 . SER B 1 30 ? -13.353 -2.609 -5.716 1.00 0.00 ? 30 SER B HB3 26 ATOM 36684 H HG . SER B 1 30 ? -11.823 -3.157 -4.085 1.00 0.00 ? 30 SER B HG 26 ATOM 36685 N N . ILE B 1 31 ? -13.348 0.400 -2.908 1.00 0.00 ? 31 ILE B N 26 ATOM 36686 C CA . ILE B 1 31 ? -13.852 1.059 -1.709 1.00 0.00 ? 31 ILE B CA 26 ATOM 36687 C C . ILE B 1 31 ? -14.177 2.522 -1.986 1.00 0.00 ? 31 ILE B C 26 ATOM 36688 O O . ILE B 1 31 ? -15.034 3.115 -1.327 1.00 0.00 ? 31 ILE B O 26 ATOM 36689 C CB . ILE B 1 31 ? -12.829 0.960 -0.559 1.00 0.00 ? 31 ILE B CB 26 ATOM 36690 C CG1 . ILE B 1 31 ? -13.314 1.701 0.684 1.00 0.00 ? 31 ILE B CG1 26 ATOM 36691 C CG2 . ILE B 1 31 ? -11.484 1.508 -0.998 1.00 0.00 ? 31 ILE B CG2 26 ATOM 36692 C CD1 . ILE B 1 31 ? -14.323 0.922 1.486 1.00 0.00 ? 31 ILE B CD1 26 ATOM 36693 H H . ILE B 1 31 ? -12.402 0.139 -2.946 1.00 0.00 ? 31 ILE B H 26 ATOM 36694 H HA . ILE B 1 31 ? -14.755 0.551 -1.404 1.00 0.00 ? 31 ILE B HA 26 ATOM 36695 H HB . ILE B 1 31 ? -12.705 -0.087 -0.317 1.00 0.00 ? 31 ILE B HB 26 ATOM 36696 H HG12 . ILE B 1 31 ? -12.467 1.900 1.325 1.00 0.00 ? 31 ILE B HG12 26 ATOM 36697 H HG13 . ILE B 1 31 ? -13.768 2.637 0.392 1.00 0.00 ? 31 ILE B HG13 26 ATOM 36698 H HG21 . ILE B 1 31 ? -11.467 1.606 -2.074 1.00 0.00 ? 31 ILE B HG21 26 ATOM 36699 H HG22 . ILE B 1 31 ? -11.326 2.476 -0.547 1.00 0.00 ? 31 ILE B HG22 26 ATOM 36700 H HG23 . ILE B 1 31 ? -10.702 0.835 -0.686 1.00 0.00 ? 31 ILE B HG23 26 ATOM 36701 H HD11 . ILE B 1 31 ? -15.034 0.458 0.818 1.00 0.00 ? 31 ILE B HD11 26 ATOM 36702 H HD12 . ILE B 1 31 ? -13.811 0.159 2.055 1.00 0.00 ? 31 ILE B HD12 26 ATOM 36703 H HD13 . ILE B 1 31 ? -14.841 1.588 2.159 1.00 0.00 ? 31 ILE B HD13 26 ATOM 36704 N N . LYS B 1 32 ? -13.495 3.097 -2.969 1.00 0.00 ? 32 LYS B N 26 ATOM 36705 C CA . LYS B 1 32 ? -13.717 4.490 -3.338 1.00 0.00 ? 32 LYS B CA 26 ATOM 36706 C C . LYS B 1 32 ? -14.965 4.630 -4.204 1.00 0.00 ? 32 LYS B C 26 ATOM 36707 O O . LYS B 1 32 ? -15.544 5.713 -4.302 1.00 0.00 ? 32 LYS B O 26 ATOM 36708 C CB . LYS B 1 32 ? -12.501 5.041 -4.084 1.00 0.00 ? 32 LYS B CB 26 ATOM 36709 C CG . LYS B 1 32 ? -12.709 6.442 -4.635 1.00 0.00 ? 32 LYS B CG 26 ATOM 36710 C CD . LYS B 1 32 ? -11.459 6.962 -5.326 1.00 0.00 ? 32 LYS B CD 26 ATOM 36711 C CE . LYS B 1 32 ? -10.411 7.407 -4.318 1.00 0.00 ? 32 LYS B CE 26 ATOM 36712 N NZ . LYS B 1 32 ? -9.616 8.564 -4.817 1.00 0.00 ? 32 LYS B NZ 26 ATOM 36713 H H . LYS B 1 32 ? -12.832 2.572 -3.462 1.00 0.00 ? 32 LYS B H 26 ATOM 36714 H HA . LYS B 1 32 ? -13.859 5.055 -2.430 1.00 0.00 ? 32 LYS B HA 26 ATOM 36715 H HB2 . LYS B 1 32 ? -11.659 5.066 -3.407 1.00 0.00 ? 32 LYS B HB2 26 ATOM 36716 H HB3 . LYS B 1 32 ? -12.269 4.384 -4.908 1.00 0.00 ? 32 LYS B HB3 26 ATOM 36717 H HG2 . LYS B 1 32 ? -13.519 6.421 -5.349 1.00 0.00 ? 32 LYS B HG2 26 ATOM 36718 H HG3 . LYS B 1 32 ? -12.963 7.105 -3.820 1.00 0.00 ? 32 LYS B HG3 26 ATOM 36719 H HD2 . LYS B 1 32 ? -11.044 6.175 -5.937 1.00 0.00 ? 32 LYS B HD2 26 ATOM 36720 H HD3 . LYS B 1 32 ? -11.726 7.802 -5.949 1.00 0.00 ? 32 LYS B HD3 26 ATOM 36721 H HE2 . LYS B 1 32 ? -10.907 7.692 -3.403 1.00 0.00 ? 32 LYS B HE2 26 ATOM 36722 H HE3 . LYS B 1 32 ? -9.744 6.580 -4.123 1.00 0.00 ? 32 LYS B HE3 26 ATOM 36723 H HZ1 . LYS B 1 32 ? -9.987 8.881 -5.736 1.00 0.00 ? 32 LYS B HZ1 26 ATOM 36724 H HZ2 . LYS B 1 32 ? -9.672 9.353 -4.143 1.00 0.00 ? 32 LYS B HZ2 26 ATOM 36725 H HZ3 . LYS B 1 32 ? -8.620 8.290 -4.931 1.00 0.00 ? 32 LYS B HZ3 26 ATOM 36726 N N . LYS B 1 33 ? -15.375 3.533 -4.835 1.00 0.00 ? 33 LYS B N 26 ATOM 36727 C CA . LYS B 1 33 ? -16.551 3.541 -5.695 1.00 0.00 ? 33 LYS B CA 26 ATOM 36728 C C . LYS B 1 33 ? -17.833 3.412 -4.879 1.00 0.00 ? 33 LYS B C 26 ATOM 36729 O O . LYS B 1 33 ? -18.841 4.048 -5.191 1.00 0.00 ? 33 LYS B O 26 ATOM 36730 C CB . LYS B 1 33 ? -16.468 2.405 -6.716 1.00 0.00 ? 33 LYS B CB 26 ATOM 36731 C CG . LYS B 1 33 ? -16.939 2.800 -8.106 1.00 0.00 ? 33 LYS B CG 26 ATOM 36732 C CD . LYS B 1 33 ? -16.492 1.793 -9.153 1.00 0.00 ? 33 LYS B CD 26 ATOM 36733 C CE . LYS B 1 33 ? -15.240 2.261 -9.876 1.00 0.00 ? 33 LYS B CE 26 ATOM 36734 N NZ . LYS B 1 33 ? -14.486 1.124 -10.472 1.00 0.00 ? 33 LYS B NZ 26 ATOM 36735 H H . LYS B 1 33 ? -14.873 2.699 -4.723 1.00 0.00 ? 33 LYS B H 26 ATOM 36736 H HA . LYS B 1 33 ? -16.568 4.484 -6.220 1.00 0.00 ? 33 LYS B HA 26 ATOM 36737 H HB2 . LYS B 1 33 ? -15.442 2.075 -6.788 1.00 0.00 ? 33 LYS B HB2 26 ATOM 36738 H HB3 . LYS B 1 33 ? -17.078 1.583 -6.373 1.00 0.00 ? 33 LYS B HB3 26 ATOM 36739 H HG2 . LYS B 1 33 ? -18.018 2.852 -8.109 1.00 0.00 ? 33 LYS B HG2 26 ATOM 36740 H HG3 . LYS B 1 33 ? -16.530 3.770 -8.352 1.00 0.00 ? 33 LYS B HG3 26 ATOM 36741 H HD2 . LYS B 1 33 ? -16.286 0.852 -8.667 1.00 0.00 ? 33 LYS B HD2 26 ATOM 36742 H HD3 . LYS B 1 33 ? -17.286 1.662 -9.874 1.00 0.00 ? 33 LYS B HD3 26 ATOM 36743 H HE2 . LYS B 1 33 ? -15.527 2.942 -10.663 1.00 0.00 ? 33 LYS B HE2 26 ATOM 36744 H HE3 . LYS B 1 33 ? -14.602 2.774 -9.170 1.00 0.00 ? 33 LYS B HE3 26 ATOM 36745 H HZ1 . LYS B 1 33 ? -14.732 0.237 -9.987 1.00 0.00 ? 33 LYS B HZ1 26 ATOM 36746 H HZ2 . LYS B 1 33 ? -14.718 1.031 -11.482 1.00 0.00 ? 33 LYS B HZ2 26 ATOM 36747 H HZ3 . LYS B 1 33 ? -13.463 1.285 -10.377 1.00 0.00 ? 33 LYS B HZ3 26 ATOM 36748 N N . LEU B 1 34 ? -17.797 2.589 -3.835 1.00 0.00 ? 34 LEU B N 26 ATOM 36749 C CA . LEU B 1 34 ? -18.965 2.391 -2.989 1.00 0.00 ? 34 LEU B CA 26 ATOM 36750 C C . LEU B 1 34 ? -19.101 3.525 -1.980 1.00 0.00 ? 34 LEU B C 26 ATOM 36751 O O . LEU B 1 34 ? -20.203 3.844 -1.535 1.00 0.00 ? 34 LEU B O 26 ATOM 36752 C CB . LEU B 1 34 ? -18.876 1.049 -2.266 1.00 0.00 ? 34 LEU B CB 26 ATOM 36753 C CG . LEU B 1 34 ? -19.116 -0.179 -3.147 1.00 0.00 ? 34 LEU B CG 26 ATOM 36754 C CD1 . LEU B 1 34 ? -18.470 -1.411 -2.532 1.00 0.00 ? 34 LEU B CD1 26 ATOM 36755 C CD2 . LEU B 1 34 ? -20.607 -0.402 -3.352 1.00 0.00 ? 34 LEU B CD2 26 ATOM 36756 H H . LEU B 1 34 ? -16.967 2.106 -3.627 1.00 0.00 ? 34 LEU B H 26 ATOM 36757 H HA . LEU B 1 34 ? -19.837 2.389 -3.627 1.00 0.00 ? 34 LEU B HA 26 ATOM 36758 H HB2 . LEU B 1 34 ? -17.893 0.965 -1.827 1.00 0.00 ? 34 LEU B HB2 26 ATOM 36759 H HB3 . LEU B 1 34 ? -19.607 1.042 -1.472 1.00 0.00 ? 34 LEU B HB3 26 ATOM 36760 H HG . LEU B 1 34 ? -18.665 -0.014 -4.115 1.00 0.00 ? 34 LEU B HG 26 ATOM 36761 H HD11 . LEU B 1 34 ? -17.423 -1.215 -2.350 1.00 0.00 ? 34 LEU B HD11 26 ATOM 36762 H HD12 . LEU B 1 34 ? -18.960 -1.646 -1.598 1.00 0.00 ? 34 LEU B HD12 26 ATOM 36763 H HD13 . LEU B 1 34 ? -18.569 -2.245 -3.210 1.00 0.00 ? 34 LEU B HD13 26 ATOM 36764 H HD21 . LEU B 1 34 ? -21.064 0.513 -3.699 1.00 0.00 ? 34 LEU B HD21 26 ATOM 36765 H HD22 . LEU B 1 34 ? -20.757 -1.180 -4.087 1.00 0.00 ? 34 LEU B HD22 26 ATOM 36766 H HD23 . LEU B 1 34 ? -21.058 -0.698 -2.417 1.00 0.00 ? 34 LEU B HD23 26 ATOM 36767 N N . LYS B 1 35 ? -17.975 4.138 -1.628 1.00 0.00 ? 35 LYS B N 26 ATOM 36768 C CA . LYS B 1 35 ? -17.975 5.242 -0.678 1.00 0.00 ? 35 LYS B CA 26 ATOM 36769 C C . LYS B 1 35 ? -18.231 6.567 -1.391 1.00 0.00 ? 35 LYS B C 26 ATOM 36770 O O . LYS B 1 35 ? -18.729 7.519 -0.791 1.00 0.00 ? 35 LYS B O 26 ATOM 36771 C CB . LYS B 1 35 ? -16.646 5.298 0.077 1.00 0.00 ? 35 LYS B CB 26 ATOM 36772 C CG . LYS B 1 35 ? -15.483 5.786 -0.773 1.00 0.00 ? 35 LYS B CG 26 ATOM 36773 C CD . LYS B 1 35 ? -15.111 7.221 -0.437 1.00 0.00 ? 35 LYS B CD 26 ATOM 36774 C CE . LYS B 1 35 ? -13.666 7.521 -0.801 1.00 0.00 ? 35 LYS B CE 26 ATOM 36775 N NZ . LYS B 1 35 ? -13.039 8.475 0.154 1.00 0.00 ? 35 LYS B NZ 26 ATOM 36776 H H . LYS B 1 35 ? -17.125 3.843 -2.020 1.00 0.00 ? 35 LYS B H 26 ATOM 36777 H HA . LYS B 1 35 ? -18.774 5.069 0.028 1.00 0.00 ? 35 LYS B HA 26 ATOM 36778 H HB2 . LYS B 1 35 ? -16.752 5.965 0.920 1.00 0.00 ? 35 LYS B HB2 26 ATOM 36779 H HB3 . LYS B 1 35 ? -16.409 4.309 0.439 1.00 0.00 ? 35 LYS B HB3 26 ATOM 36780 H HG2 . LYS B 1 35 ? -14.627 5.152 -0.593 1.00 0.00 ? 35 LYS B HG2 26 ATOM 36781 H HG3 . LYS B 1 35 ? -15.762 5.729 -1.814 1.00 0.00 ? 35 LYS B HG3 26 ATOM 36782 H HD2 . LYS B 1 35 ? -15.756 7.888 -0.988 1.00 0.00 ? 35 LYS B HD2 26 ATOM 36783 H HD3 . LYS B 1 35 ? -15.246 7.380 0.623 1.00 0.00 ? 35 LYS B HD3 26 ATOM 36784 H HE2 . LYS B 1 35 ? -13.107 6.598 -0.793 1.00 0.00 ? 35 LYS B HE2 26 ATOM 36785 H HE3 . LYS B 1 35 ? -13.640 7.948 -1.794 1.00 0.00 ? 35 LYS B HE3 26 ATOM 36786 H HZ1 . LYS B 1 35 ? -13.177 8.146 1.130 1.00 0.00 ? 35 LYS B HZ1 26 ATOM 36787 H HZ2 . LYS B 1 35 ? -12.019 8.551 -0.033 1.00 0.00 ? 35 LYS B HZ2 26 ATOM 36788 H HZ3 . LYS B 1 35 ? -13.469 9.417 0.053 1.00 0.00 ? 35 LYS B HZ3 26 ATOM 36789 N N . GLN B 1 36 ? -17.891 6.618 -2.675 1.00 0.00 ? 36 GLN B N 26 ATOM 36790 C CA . GLN B 1 36 ? -18.090 7.824 -3.469 1.00 0.00 ? 36 GLN B CA 26 ATOM 36791 C C . GLN B 1 36 ? -19.500 7.860 -4.049 1.00 0.00 ? 36 GLN B C 26 ATOM 36792 O O . GLN B 1 36 ? -20.041 8.931 -4.325 1.00 0.00 ? 36 GLN B O 26 ATOM 36793 C CB . GLN B 1 36 ? -17.059 7.896 -4.596 1.00 0.00 ? 36 GLN B CB 26 ATOM 36794 C CG . GLN B 1 36 ? -17.253 9.085 -5.525 1.00 0.00 ? 36 GLN B CG 26 ATOM 36795 C CD . GLN B 1 36 ? -16.115 10.082 -5.440 1.00 0.00 ? 36 GLN B CD 26 ATOM 36796 O OE1 . GLN B 1 36 ? -16.035 10.872 -4.499 1.00 0.00 ? 36 GLN B OE1 26 ATOM 36797 N NE2 . GLN B 1 36 ? -15.226 10.051 -6.425 1.00 0.00 ? 36 GLN B NE2 26 ATOM 36798 H H . GLN B 1 36 ? -17.501 5.824 -3.101 1.00 0.00 ? 36 GLN B H 26 ATOM 36799 H HA . GLN B 1 36 ? -17.959 8.675 -2.818 1.00 0.00 ? 36 GLN B HA 26 ATOM 36800 H HB2 . GLN B 1 36 ? -16.072 7.963 -4.163 1.00 0.00 ? 36 GLN B HB2 26 ATOM 36801 H HB3 . GLN B 1 36 ? -17.123 6.993 -5.186 1.00 0.00 ? 36 GLN B HB3 26 ATOM 36802 H HG2 . GLN B 1 36 ? -17.320 8.725 -6.540 1.00 0.00 ? 36 GLN B HG2 26 ATOM 36803 H HG3 . GLN B 1 36 ? -18.172 9.586 -5.259 1.00 0.00 ? 36 GLN B HG3 26 ATOM 36804 H HE21 . GLN B 1 36 ? -15.353 9.395 -7.143 1.00 0.00 ? 36 GLN B HE21 26 ATOM 36805 H HE22 . GLN B 1 36 ? -14.479 10.685 -6.396 1.00 0.00 ? 36 GLN B HE22 26 ATOM 36806 N N . SER B 1 37 ? -20.089 6.683 -4.229 1.00 0.00 ? 37 SER B N 26 ATOM 36807 C CA . SER B 1 37 ? -21.437 6.580 -4.775 1.00 0.00 ? 37 SER B CA 26 ATOM 36808 C C . SER B 1 37 ? -22.480 6.729 -3.671 1.00 0.00 ? 37 SER B C 26 ATOM 36809 O O . SER B 1 37 ? -23.578 7.233 -3.906 1.00 0.00 ? 37 SER B O 26 ATOM 36810 C CB . SER B 1 37 ? -21.621 5.240 -5.489 1.00 0.00 ? 37 SER B CB 26 ATOM 36811 O OG . SER B 1 37 ? -22.776 5.254 -6.311 1.00 0.00 ? 37 SER B OG 26 ATOM 36812 H H . SER B 1 37 ? -19.607 5.864 -3.989 1.00 0.00 ? 37 SER B H 26 ATOM 36813 H HA . SER B 1 37 ? -21.568 7.380 -5.487 1.00 0.00 ? 37 SER B HA 26 ATOM 36814 H HB2 . SER B 1 37 ? -20.758 5.042 -6.107 1.00 0.00 ? 37 SER B HB2 26 ATOM 36815 H HB3 . SER B 1 37 ? -21.725 4.454 -4.756 1.00 0.00 ? 37 SER B HB3 26 ATOM 36816 H HG . SER B 1 37 ? -23.540 4.992 -5.792 1.00 0.00 ? 37 SER B HG 26 ATOM 36817 N N . GLU B 1 38 ? -22.128 6.291 -2.467 1.00 0.00 ? 38 GLU B N 26 ATOM 36818 C CA . GLU B 1 38 ? -23.033 6.380 -1.328 1.00 0.00 ? 38 GLU B CA 26 ATOM 36819 C C . GLU B 1 38 ? -22.908 7.736 -0.640 1.00 0.00 ? 38 GLU B C 26 ATOM 36820 O O . GLU B 1 38 ? -23.844 8.203 0.007 1.00 0.00 ? 38 GLU B O 26 ATOM 36821 C CB . GLU B 1 38 ? -22.743 5.259 -0.329 1.00 0.00 ? 38 GLU B CB 26 ATOM 36822 C CG . GLU B 1 38 ? -23.995 4.648 0.282 1.00 0.00 ? 38 GLU B CG 26 ATOM 36823 C CD . GLU B 1 38 ? -24.251 5.135 1.695 1.00 0.00 ? 38 GLU B CD 26 ATOM 36824 O OE1 . GLU B 1 38 ? -24.188 6.361 1.921 1.00 0.00 ? 38 GLU B OE1 26 ATOM 36825 O OE2 . GLU B 1 38 ? -24.514 4.289 2.575 1.00 0.00 ? 38 GLU B OE2 26 ATOM 36826 H H . GLU B 1 38 ? -21.238 5.900 -2.341 1.00 0.00 ? 38 GLU B H 26 ATOM 36827 H HA . GLU B 1 38 ? -24.042 6.268 -1.697 1.00 0.00 ? 38 GLU B HA 26 ATOM 36828 H HB2 . GLU B 1 38 ? -22.195 4.475 -0.832 1.00 0.00 ? 38 GLU B HB2 26 ATOM 36829 H HB3 . GLU B 1 38 ? -22.135 5.654 0.472 1.00 0.00 ? 38 GLU B HB3 26 ATOM 36830 H HG2 . GLU B 1 38 ? -24.843 4.910 -0.331 1.00 0.00 ? 38 GLU B HG2 26 ATOM 36831 H HG3 . GLU B 1 38 ? -23.883 3.574 0.302 1.00 0.00 ? 38 GLU B HG3 26 ATOM 36832 N N . ASP B 1 39 ? -21.745 8.363 -0.789 1.00 0.00 ? 39 ASP B N 26 ATOM 36833 C CA . ASP B 1 39 ? -21.496 9.666 -0.184 1.00 0.00 ? 39 ASP B CA 26 ATOM 36834 C C . ASP B 1 39 ? -21.718 10.789 -1.194 1.00 0.00 ? 39 ASP B C 26 ATOM 36835 O O . ASP B 1 39 ? -21.982 11.931 -0.818 1.00 0.00 ? 39 ASP B O 26 ATOM 36836 C CB . ASP B 1 39 ? -20.069 9.733 0.362 1.00 0.00 ? 39 ASP B CB 26 ATOM 36837 C CG . ASP B 1 39 ? -19.781 11.041 1.072 1.00 0.00 ? 39 ASP B CG 26 ATOM 36838 O OD1 . ASP B 1 39 ? -20.617 11.464 1.898 1.00 0.00 ? 39 ASP B OD1 26 ATOM 36839 O OD2 . ASP B 1 39 ? -18.721 11.642 0.801 1.00 0.00 ? 39 ASP B OD2 26 ATOM 36840 H H . ASP B 1 39 ? -21.038 7.939 -1.318 1.00 0.00 ? 39 ASP B H 26 ATOM 36841 H HA . ASP B 1 39 ? -22.190 9.790 0.632 1.00 0.00 ? 39 ASP B HA 26 ATOM 36842 H HB2 . ASP B 1 39 ? -19.920 8.925 1.062 1.00 0.00 ? 39 ASP B HB2 26 ATOM 36843 H HB3 . ASP B 1 39 ? -19.371 9.627 -0.456 1.00 0.00 ? 39 ASP B HB3 26 ATOM 36844 N N . ASP B 1 40 ? -21.611 10.458 -2.477 1.00 0.00 ? 40 ASP B N 26 ATOM 36845 C CA . ASP B 1 40 ? -21.800 11.442 -3.538 1.00 0.00 ? 40 ASP B CA 26 ATOM 36846 C C . ASP B 1 40 ? -20.855 12.625 -3.358 1.00 0.00 ? 40 ASP B C 26 ATOM 36847 O O . ASP B 1 40 ? -21.083 13.492 -2.515 1.00 0.00 ? 40 ASP B O 26 ATOM 36848 C CB . ASP B 1 40 ? -23.249 11.931 -3.557 1.00 0.00 ? 40 ASP B CB 26 ATOM 36849 C CG . ASP B 1 40 ? -24.208 10.880 -4.079 1.00 0.00 ? 40 ASP B CG 26 ATOM 36850 O OD1 . ASP B 1 40 ? -24.146 10.568 -5.287 1.00 0.00 ? 40 ASP B OD1 26 ATOM 36851 O OD2 . ASP B 1 40 ? -25.023 10.370 -3.281 1.00 0.00 ? 40 ASP B OD2 26 ATOM 36852 H H . ASP B 1 40 ? -21.399 9.532 -2.719 1.00 0.00 ? 40 ASP B H 26 ATOM 36853 H HA . ASP B 1 40 ? -21.581 10.960 -4.479 1.00 0.00 ? 40 ASP B HA 26 ATOM 36854 H HB2 . ASP B 1 40 ? -23.547 12.196 -2.553 1.00 0.00 ? 40 ASP B HB2 26 ATOM 36855 H HB3 . ASP B 1 40 ? -23.320 12.804 -4.190 1.00 0.00 ? 40 ASP B HB3 26 ATOM 36856 N N . ASP B 1 41 ? -19.792 12.653 -4.156 1.00 0.00 ? 41 ASP B N 26 ATOM 36857 C CA . ASP B 1 41 ? -18.813 13.730 -4.085 1.00 0.00 ? 41 ASP B CA 26 ATOM 36858 C C . ASP B 1 41 ? -17.789 13.611 -5.210 1.00 0.00 ? 41 ASP B C 26 ATOM 36859 O O . ASP B 1 41 ? -16.635 13.229 -4.920 1.00 0.00 ? 41 ASP B O 26 ATOM 36860 C CB . ASP B 1 41 ? -18.102 13.715 -2.730 1.00 0.00 ? 41 ASP B CB 26 ATOM 36861 C CG . ASP B 1 41 ? -17.192 14.912 -2.541 1.00 0.00 ? 41 ASP B CG 26 ATOM 36862 O OD1 . ASP B 1 41 ? -17.615 16.038 -2.875 1.00 0.00 ? 41 ASP B OD1 26 ATOM 36863 O OD2 . ASP B 1 41 ? -16.055 14.723 -2.058 1.00 0.00 ? 41 ASP B OD2 26 ATOM 36864 O OXT . ASP B 1 41 ? -18.150 13.897 -6.370 1.00 0.00 ? 41 ASP B OXT 26 ATOM 36865 H H . ASP B 1 41 ? -19.665 11.933 -4.809 1.00 0.00 ? 41 ASP B H 26 ATOM 36866 H HA . ASP B 1 41 ? -19.341 14.667 -4.193 1.00 0.00 ? 41 ASP B HA 26 ATOM 36867 H HB2 . ASP B 1 41 ? -18.842 13.721 -1.943 1.00 0.00 ? 41 ASP B HB2 26 ATOM 36868 H HB3 . ASP B 1 41 ? -17.508 12.817 -2.652 1.00 0.00 ? 41 ASP B HB3 26 ATOM 36869 N N . ALA A 1 1 ? -27.746 9.492 9.859 1.00 0.00 ? 1 ALA A N 27 ATOM 36870 C CA . ALA A 1 1 ? -27.733 8.124 9.279 1.00 0.00 ? 1 ALA A CA 27 ATOM 36871 C C . ALA A 1 1 ? -28.222 8.137 7.835 1.00 0.00 ? 1 ALA A C 27 ATOM 36872 O O . ALA A 1 1 ? -28.891 9.076 7.404 1.00 0.00 ? 1 ALA A O 27 ATOM 36873 C CB . ALA A 1 1 ? -28.590 7.188 10.117 1.00 0.00 ? 1 ALA A CB 27 ATOM 36874 H H1 . ALA A 1 1 ? -28.704 9.878 9.737 1.00 0.00 ? 1 ALA A H1 27 ATOM 36875 H H2 . ALA A 1 1 ? -27.498 9.411 10.866 1.00 0.00 ? 1 ALA A H2 27 ATOM 36876 H H3 . ALA A 1 1 ? -27.045 10.061 9.343 1.00 0.00 ? 1 ALA A H3 27 ATOM 36877 H HA . ALA A 1 1 ? -26.717 7.756 9.298 1.00 0.00 ? 1 ALA A HA 27 ATOM 36878 H HB1 . ALA A 1 1 ? -29.276 7.768 10.716 1.00 0.00 ? 1 ALA A HB1 27 ATOM 36879 H HB2 . ALA A 1 1 ? -27.955 6.601 10.765 1.00 0.00 ? 1 ALA A HB2 27 ATOM 36880 H HB3 . ALA A 1 1 ? -29.147 6.530 9.466 1.00 0.00 ? 1 ALA A HB3 27 ATOM 36881 N N . LEU A 1 2 ? -27.883 7.089 7.091 1.00 0.00 ? 2 LEU A N 27 ATOM 36882 C CA . LEU A 1 2 ? -28.288 6.979 5.694 1.00 0.00 ? 2 LEU A CA 27 ATOM 36883 C C . LEU A 1 2 ? -27.810 5.664 5.089 1.00 0.00 ? 2 LEU A C 27 ATOM 36884 O O . LEU A 1 2 ? -26.701 5.578 4.562 1.00 0.00 ? 2 LEU A O 27 ATOM 36885 C CB . LEU A 1 2 ? -27.734 8.155 4.887 1.00 0.00 ? 2 LEU A CB 27 ATOM 36886 C CG . LEU A 1 2 ? -28.338 8.326 3.492 1.00 0.00 ? 2 LEU A CG 27 ATOM 36887 C CD1 . LEU A 1 2 ? -29.548 9.245 3.543 1.00 0.00 ? 2 LEU A CD1 27 ATOM 36888 C CD2 . LEU A 1 2 ? -27.296 8.867 2.525 1.00 0.00 ? 2 LEU A CD2 27 ATOM 36889 H H . LEU A 1 2 ? -27.348 6.372 7.490 1.00 0.00 ? 2 LEU A H 27 ATOM 36890 H HA . LEU A 1 2 ? -29.366 7.008 5.659 1.00 0.00 ? 2 LEU A HA 27 ATOM 36891 H HB2 . LEU A 1 2 ? -27.910 9.063 5.447 1.00 0.00 ? 2 LEU A HB2 27 ATOM 36892 H HB3 . LEU A 1 2 ? -26.668 8.020 4.780 1.00 0.00 ? 2 LEU A HB3 27 ATOM 36893 H HG . LEU A 1 2 ? -28.664 7.363 3.129 1.00 0.00 ? 2 LEU A HG 27 ATOM 36894 H HD11 . LEU A 1 2 ? -30.063 9.110 4.483 1.00 0.00 ? 2 LEU A HD11 27 ATOM 36895 H HD12 . LEU A 1 2 ? -29.225 10.271 3.454 1.00 0.00 ? 2 LEU A HD12 27 ATOM 36896 H HD13 . LEU A 1 2 ? -30.216 9.006 2.729 1.00 0.00 ? 2 LEU A HD13 27 ATOM 36897 H HD21 . LEU A 1 2 ? -26.386 9.090 3.063 1.00 0.00 ? 2 LEU A HD21 27 ATOM 36898 H HD22 . LEU A 1 2 ? -27.092 8.128 1.764 1.00 0.00 ? 2 LEU A HD22 27 ATOM 36899 H HD23 . LEU A 1 2 ? -27.668 9.768 2.061 1.00 0.00 ? 2 LEU A HD23 27 ATOM 36900 N N . LYS A 1 3 ? -28.653 4.640 5.171 1.00 0.00 ? 3 LYS A N 27 ATOM 36901 C CA . LYS A 1 3 ? -28.316 3.327 4.632 1.00 0.00 ? 3 LYS A CA 27 ATOM 36902 C C . LYS A 1 3 ? -27.069 2.766 5.308 1.00 0.00 ? 3 LYS A C 27 ATOM 36903 O O . LYS A 1 3 ? -25.989 3.351 5.222 1.00 0.00 ? 3 LYS A O 27 ATOM 36904 C CB . LYS A 1 3 ? -28.094 3.415 3.121 1.00 0.00 ? 3 LYS A CB 27 ATOM 36905 C CG . LYS A 1 3 ? -29.372 3.284 2.309 1.00 0.00 ? 3 LYS A CG 27 ATOM 36906 C CD . LYS A 1 3 ? -30.211 4.550 2.383 1.00 0.00 ? 3 LYS A CD 27 ATOM 36907 C CE . LYS A 1 3 ? -29.835 5.532 1.284 1.00 0.00 ? 3 LYS A CE 27 ATOM 36908 N NZ . LYS A 1 3 ? -30.460 6.866 1.494 1.00 0.00 ? 3 LYS A NZ 27 ATOM 36909 H H . LYS A 1 3 ? -29.523 4.769 5.603 1.00 0.00 ? 3 LYS A H 27 ATOM 36910 H HA . LYS A 1 3 ? -29.146 2.665 4.827 1.00 0.00 ? 3 LYS A HA 27 ATOM 36911 H HB2 . LYS A 1 3 ? -27.643 4.368 2.890 1.00 0.00 ? 3 LYS A HB2 27 ATOM 36912 H HB3 . LYS A 1 3 ? -27.420 2.626 2.821 1.00 0.00 ? 3 LYS A HB3 27 ATOM 36913 H HG2 . LYS A 1 3 ? -29.114 3.096 1.277 1.00 0.00 ? 3 LYS A HG2 27 ATOM 36914 H HG3 . LYS A 1 3 ? -29.950 2.457 2.695 1.00 0.00 ? 3 LYS A HG3 27 ATOM 36915 H HD2 . LYS A 1 3 ? -31.252 4.287 2.276 1.00 0.00 ? 3 LYS A HD2 27 ATOM 36916 H HD3 . LYS A 1 3 ? -30.052 5.019 3.342 1.00 0.00 ? 3 LYS A HD3 27 ATOM 36917 H HE2 . LYS A 1 3 ? -28.762 5.645 1.272 1.00 0.00 ? 3 LYS A HE2 27 ATOM 36918 H HE3 . LYS A 1 3 ? -30.165 5.134 0.335 1.00 0.00 ? 3 LYS A HE3 27 ATOM 36919 H HZ1 . LYS A 1 3 ? -30.630 7.027 2.507 1.00 0.00 ? 3 LYS A HZ1 27 ATOM 36920 H HZ2 . LYS A 1 3 ? -29.833 7.615 1.137 1.00 0.00 ? 3 LYS A HZ2 27 ATOM 36921 H HZ3 . LYS A 1 3 ? -31.369 6.920 0.989 1.00 0.00 ? 3 LYS A HZ3 27 ATOM 36922 N N . LYS A 1 4 ? -27.224 1.629 5.978 1.00 0.00 ? 4 LYS A N 27 ATOM 36923 C CA . LYS A 1 4 ? -26.108 0.991 6.667 1.00 0.00 ? 4 LYS A CA 27 ATOM 36924 C C . LYS A 1 4 ? -25.700 -0.309 5.978 1.00 0.00 ? 4 LYS A C 27 ATOM 36925 O O . LYS A 1 4 ? -25.034 -1.154 6.576 1.00 0.00 ? 4 LYS A O 27 ATOM 36926 C CB . LYS A 1 4 ? -26.473 0.714 8.126 1.00 0.00 ? 4 LYS A CB 27 ATOM 36927 C CG . LYS A 1 4 ? -26.090 1.839 9.075 1.00 0.00 ? 4 LYS A CG 27 ATOM 36928 C CD . LYS A 1 4 ? -26.541 3.192 8.545 1.00 0.00 ? 4 LYS A CD 27 ATOM 36929 C CE . LYS A 1 4 ? -25.970 4.332 9.372 1.00 0.00 ? 4 LYS A CE 27 ATOM 36930 N NZ . LYS A 1 4 ? -24.803 4.971 8.704 1.00 0.00 ? 4 LYS A NZ 27 ATOM 36931 H H . LYS A 1 4 ? -28.109 1.209 6.011 1.00 0.00 ? 4 LYS A H 27 ATOM 36932 H HA . LYS A 1 4 ? -25.271 1.674 6.641 1.00 0.00 ? 4 LYS A HA 27 ATOM 36933 H HB2 . LYS A 1 4 ? -27.540 0.561 8.196 1.00 0.00 ? 4 LYS A HB2 27 ATOM 36934 H HB3 . LYS A 1 4 ? -25.967 -0.184 8.446 1.00 0.00 ? 4 LYS A HB3 27 ATOM 36935 H HG2 . LYS A 1 4 ? -26.559 1.665 10.032 1.00 0.00 ? 4 LYS A HG2 27 ATOM 36936 H HG3 . LYS A 1 4 ? -25.017 1.849 9.193 1.00 0.00 ? 4 LYS A HG3 27 ATOM 36937 H HD2 . LYS A 1 4 ? -26.206 3.297 7.524 1.00 0.00 ? 4 LYS A HD2 27 ATOM 36938 H HD3 . LYS A 1 4 ? -27.620 3.239 8.579 1.00 0.00 ? 4 LYS A HD3 27 ATOM 36939 H HE2 . LYS A 1 4 ? -26.741 5.074 9.519 1.00 0.00 ? 4 LYS A HE2 27 ATOM 36940 H HE3 . LYS A 1 4 ? -25.658 3.943 10.331 1.00 0.00 ? 4 LYS A HE3 27 ATOM 36941 H HZ1 . LYS A 1 4 ? -24.382 4.317 8.015 1.00 0.00 ? 4 LYS A HZ1 27 ATOM 36942 H HZ2 . LYS A 1 4 ? -25.104 5.833 8.208 1.00 0.00 ? 4 LYS A HZ2 27 ATOM 36943 H HZ3 . LYS A 1 4 ? -24.082 5.224 9.410 1.00 0.00 ? 4 LYS A HZ3 27 ATOM 36944 N N . HIS A 1 5 ? -26.097 -0.464 4.718 1.00 0.00 ? 5 HIS A N 27 ATOM 36945 C CA . HIS A 1 5 ? -25.762 -1.660 3.955 1.00 0.00 ? 5 HIS A CA 27 ATOM 36946 C C . HIS A 1 5 ? -24.469 -1.451 3.177 1.00 0.00 ? 5 HIS A C 27 ATOM 36947 O O . HIS A 1 5 ? -23.477 -2.149 3.396 1.00 0.00 ? 5 HIS A O 27 ATOM 36948 C CB . HIS A 1 5 ? -26.899 -2.016 2.994 1.00 0.00 ? 5 HIS A CB 27 ATOM 36949 C CG . HIS A 1 5 ? -28.262 -1.755 3.557 1.00 0.00 ? 5 HIS A CG 27 ATOM 36950 N ND1 . HIS A 1 5 ? -28.509 -1.628 4.908 1.00 0.00 ? 5 HIS A ND1 27 ATOM 36951 C CD2 . HIS A 1 5 ? -29.459 -1.596 2.941 1.00 0.00 ? 5 HIS A CD2 27 ATOM 36952 C CE1 . HIS A 1 5 ? -29.796 -1.403 5.100 1.00 0.00 ? 5 HIS A CE1 27 ATOM 36953 N NE2 . HIS A 1 5 ? -30.394 -1.378 3.923 1.00 0.00 ? 5 HIS A NE2 27 ATOM 36954 H H . HIS A 1 5 ? -26.621 0.244 4.289 1.00 0.00 ? 5 HIS A H 27 ATOM 36955 H HA . HIS A 1 5 ? -25.623 -2.472 4.653 1.00 0.00 ? 5 HIS A HA 27 ATOM 36956 H HB2 . HIS A 1 5 ? -26.794 -1.432 2.093 1.00 0.00 ? 5 HIS A HB2 27 ATOM 36957 H HB3 . HIS A 1 5 ? -26.836 -3.066 2.747 1.00 0.00 ? 5 HIS A HB3 27 ATOM 36958 H HD1 . HIS A 1 5 ? -27.840 -1.694 5.620 1.00 0.00 ? 5 HIS A HD1 27 ATOM 36959 H HD2 . HIS A 1 5 ? -29.642 -1.633 1.876 1.00 0.00 ? 5 HIS A HD2 27 ATOM 36960 H HE1 . HIS A 1 5 ? -30.278 -1.262 6.056 1.00 0.00 ? 5 HIS A HE1 27 ATOM 36961 H HE2 . HIS A 1 5 ? -31.351 -1.228 3.776 1.00 0.00 ? 5 HIS A HE2 27 ATOM 36962 N N . HIS A 1 6 ? -24.484 -0.477 2.274 1.00 0.00 ? 6 HIS A N 27 ATOM 36963 C CA . HIS A 1 6 ? -23.311 -0.166 1.469 1.00 0.00 ? 6 HIS A CA 27 ATOM 36964 C C . HIS A 1 6 ? -22.133 0.217 2.360 1.00 0.00 ? 6 HIS A C 27 ATOM 36965 O O . HIS A 1 6 ? -20.976 0.104 1.954 1.00 0.00 ? 6 HIS A O 27 ATOM 36966 C CB . HIS A 1 6 ? -23.620 0.972 0.494 1.00 0.00 ? 6 HIS A CB 27 ATOM 36967 C CG . HIS A 1 6 ? -24.458 0.549 -0.673 1.00 0.00 ? 6 HIS A CG 27 ATOM 36968 N ND1 . HIS A 1 6 ? -25.029 -0.702 -0.776 1.00 0.00 ? 6 HIS A ND1 27 ATOM 36969 C CD2 . HIS A 1 6 ? -24.820 1.220 -1.792 1.00 0.00 ? 6 HIS A CD2 27 ATOM 36970 C CE1 . HIS A 1 6 ? -25.706 -0.783 -1.908 1.00 0.00 ? 6 HIS A CE1 27 ATOM 36971 N NE2 . HIS A 1 6 ? -25.595 0.369 -2.542 1.00 0.00 ? 6 HIS A NE2 27 ATOM 36972 H H . HIS A 1 6 ? -25.302 0.049 2.150 1.00 0.00 ? 6 HIS A H 27 ATOM 36973 H HA . HIS A 1 6 ? -23.049 -1.051 0.908 1.00 0.00 ? 6 HIS A HA 27 ATOM 36974 H HB2 . HIS A 1 6 ? -24.152 1.751 1.018 1.00 0.00 ? 6 HIS A HB2 27 ATOM 36975 H HB3 . HIS A 1 6 ? -22.692 1.370 0.111 1.00 0.00 ? 6 HIS A HB3 27 ATOM 36976 H HD1 . HIS A 1 6 ? -24.951 -1.424 -0.118 1.00 0.00 ? 6 HIS A HD1 27 ATOM 36977 H HD2 . HIS A 1 6 ? -24.549 2.234 -2.049 1.00 0.00 ? 6 HIS A HD2 27 ATOM 36978 H HE1 . HIS A 1 6 ? -26.257 -1.645 -2.254 1.00 0.00 ? 6 HIS A HE1 27 ATOM 36979 H HE2 . HIS A 1 6 ? -26.002 0.581 -3.408 1.00 0.00 ? 6 HIS A HE2 27 ATOM 36980 N N . GLU A 1 7 ? -22.434 0.668 3.576 1.00 0.00 ? 7 GLU A N 27 ATOM 36981 C CA . GLU A 1 7 ? -21.396 1.061 4.520 1.00 0.00 ? 7 GLU A CA 27 ATOM 36982 C C . GLU A 1 7 ? -20.663 -0.164 5.051 1.00 0.00 ? 7 GLU A C 27 ATOM 36983 O O . GLU A 1 7 ? -19.437 -0.169 5.158 1.00 0.00 ? 7 GLU A O 27 ATOM 36984 C CB . GLU A 1 7 ? -22.002 1.854 5.679 1.00 0.00 ? 7 GLU A CB 27 ATOM 36985 C CG . GLU A 1 7 ? -20.973 2.616 6.498 1.00 0.00 ? 7 GLU A CG 27 ATOM 36986 C CD . GLU A 1 7 ? -20.560 3.921 5.845 1.00 0.00 ? 7 GLU A CD 27 ATOM 36987 O OE1 . GLU A 1 7 ? -20.330 3.924 4.617 1.00 0.00 ? 7 GLU A OE1 27 ATOM 36988 O OE2 . GLU A 1 7 ? -20.466 4.940 6.562 1.00 0.00 ? 7 GLU A OE2 27 ATOM 36989 H H . GLU A 1 7 ? -23.374 0.735 3.844 1.00 0.00 ? 7 GLU A H 27 ATOM 36990 H HA . GLU A 1 7 ? -20.690 1.686 3.995 1.00 0.00 ? 7 GLU A HA 27 ATOM 36991 H HB2 . GLU A 1 7 ? -22.712 2.563 5.282 1.00 0.00 ? 7 GLU A HB2 27 ATOM 36992 H HB3 . GLU A 1 7 ? -22.519 1.171 6.336 1.00 0.00 ? 7 GLU A HB3 27 ATOM 36993 H HG2 . GLU A 1 7 ? -21.394 2.835 7.468 1.00 0.00 ? 7 GLU A HG2 27 ATOM 36994 H HG3 . GLU A 1 7 ? -20.096 1.997 6.617 1.00 0.00 ? 7 GLU A HG3 27 ATOM 36995 N N . ASN A 1 8 ? -21.421 -1.206 5.377 1.00 0.00 ? 8 ASN A N 27 ATOM 36996 C CA . ASN A 1 8 ? -20.840 -2.440 5.888 1.00 0.00 ? 8 ASN A CA 27 ATOM 36997 C C . ASN A 1 8 ? -19.886 -3.040 4.863 1.00 0.00 ? 8 ASN A C 27 ATOM 36998 O O . ASN A 1 8 ? -18.773 -3.455 5.197 1.00 0.00 ? 8 ASN A O 27 ATOM 36999 C CB . ASN A 1 8 ? -21.941 -3.446 6.232 1.00 0.00 ? 8 ASN A CB 27 ATOM 37000 C CG . ASN A 1 8 ? -22.543 -3.200 7.600 1.00 0.00 ? 8 ASN A CG 27 ATOM 37001 O OD1 . ASN A 1 8 ? -21.826 -3.080 8.595 1.00 0.00 ? 8 ASN A OD1 27 ATOM 37002 N ND2 . ASN A 1 8 ? -23.867 -3.121 7.659 1.00 0.00 ? 8 ASN A ND2 27 ATOM 37003 H H . ASN A 1 8 ? -22.394 -1.145 5.265 1.00 0.00 ? 8 ASN A H 27 ATOM 37004 H HA . ASN A 1 8 ? -20.287 -2.202 6.784 1.00 0.00 ? 8 ASN A HA 27 ATOM 37005 H HB2 . ASN A 1 8 ? -22.727 -3.376 5.495 1.00 0.00 ? 8 ASN A HB2 27 ATOM 37006 H HB3 . ASN A 1 8 ? -21.526 -4.444 6.215 1.00 0.00 ? 8 ASN A HB3 27 ATOM 37007 H HD21 . ASN A 1 8 ? -24.374 -3.226 6.827 1.00 0.00 ? 8 ASN A HD21 27 ATOM 37008 H HD22 . ASN A 1 8 ? -24.284 -2.963 8.532 1.00 0.00 ? 8 ASN A HD22 27 ATOM 37009 N N . GLU A 1 9 ? -20.324 -3.073 3.608 1.00 0.00 ? 9 GLU A N 27 ATOM 37010 C CA . GLU A 1 9 ? -19.503 -3.612 2.533 1.00 0.00 ? 9 GLU A CA 27 ATOM 37011 C C . GLU A 1 9 ? -18.204 -2.830 2.419 1.00 0.00 ? 9 GLU A C 27 ATOM 37012 O O . GLU A 1 9 ? -17.119 -3.411 2.412 1.00 0.00 ? 9 GLU A O 27 ATOM 37013 C CB . GLU A 1 9 ? -20.261 -3.575 1.205 1.00 0.00 ? 9 GLU A CB 27 ATOM 37014 C CG . GLU A 1 9 ? -19.743 -4.572 0.182 1.00 0.00 ? 9 GLU A CG 27 ATOM 37015 C CD . GLU A 1 9 ? -20.585 -5.832 0.117 1.00 0.00 ? 9 GLU A CD 27 ATOM 37016 O OE1 . GLU A 1 9 ? -20.350 -6.745 0.936 1.00 0.00 ? 9 GLU A OE1 27 ATOM 37017 O OE2 . GLU A 1 9 ? -21.480 -5.904 -0.751 1.00 0.00 ? 9 GLU A OE2 27 ATOM 37018 H H . GLU A 1 9 ? -21.217 -2.720 3.400 1.00 0.00 ? 9 GLU A H 27 ATOM 37019 H HA . GLU A 1 9 ? -19.264 -4.636 2.780 1.00 0.00 ? 9 GLU A HA 27 ATOM 37020 H HB2 . GLU A 1 9 ? -21.302 -3.792 1.392 1.00 0.00 ? 9 GLU A HB2 27 ATOM 37021 H HB3 . GLU A 1 9 ? -20.178 -2.584 0.784 1.00 0.00 ? 9 GLU A HB3 27 ATOM 37022 H HG2 . GLU A 1 9 ? -19.747 -4.105 -0.792 1.00 0.00 ? 9 GLU A HG2 27 ATOM 37023 H HG3 . GLU A 1 9 ? -18.731 -4.846 0.443 1.00 0.00 ? 9 GLU A HG3 27 ATOM 37024 N N . ILE A 1 10 ? -18.312 -1.507 2.353 1.00 0.00 ? 10 ILE A N 27 ATOM 37025 C CA . ILE A 1 10 ? -17.128 -0.671 2.266 1.00 0.00 ? 10 ILE A CA 27 ATOM 37026 C C . ILE A 1 10 ? -16.354 -0.703 3.579 1.00 0.00 ? 10 ILE A C 27 ATOM 37027 O O . ILE A 1 10 ? -15.203 -0.287 3.640 1.00 0.00 ? 10 ILE A O 27 ATOM 37028 C CB . ILE A 1 10 ? -17.469 0.782 1.888 1.00 0.00 ? 10 ILE A CB 27 ATOM 37029 C CG1 . ILE A 1 10 ? -18.385 1.421 2.930 1.00 0.00 ? 10 ILE A CG1 27 ATOM 37030 C CG2 . ILE A 1 10 ? -18.116 0.822 0.515 1.00 0.00 ? 10 ILE A CG2 27 ATOM 37031 C CD1 . ILE A 1 10 ? -18.896 2.785 2.517 1.00 0.00 ? 10 ILE A CD1 27 ATOM 37032 H H . ILE A 1 10 ? -19.199 -1.090 2.381 1.00 0.00 ? 10 ILE A H 27 ATOM 37033 H HA . ILE A 1 10 ? -16.499 -1.080 1.489 1.00 0.00 ? 10 ILE A HA 27 ATOM 37034 H HB . ILE A 1 10 ? -16.546 1.341 1.838 1.00 0.00 ? 10 ILE A HB 27 ATOM 37035 H HG12 . ILE A 1 10 ? -19.237 0.779 3.093 1.00 0.00 ? 10 ILE A HG12 27 ATOM 37036 H HG13 . ILE A 1 10 ? -17.842 1.536 3.858 1.00 0.00 ? 10 ILE A HG13 27 ATOM 37037 H HG21 . ILE A 1 10 ? -17.564 0.188 -0.163 1.00 0.00 ? 10 ILE A HG21 27 ATOM 37038 H HG22 . ILE A 1 10 ? -19.135 0.469 0.588 1.00 0.00 ? 10 ILE A HG22 27 ATOM 37039 H HG23 . ILE A 1 10 ? -18.112 1.836 0.145 1.00 0.00 ? 10 ILE A HG23 27 ATOM 37040 H HD11 . ILE A 1 10 ? -18.572 2.999 1.506 1.00 0.00 ? 10 ILE A HD11 27 ATOM 37041 H HD12 . ILE A 1 10 ? -19.976 2.792 2.556 1.00 0.00 ? 10 ILE A HD12 27 ATOM 37042 H HD13 . ILE A 1 10 ? -18.506 3.536 3.187 1.00 0.00 ? 10 ILE A HD13 27 ATOM 37043 N N . SER A 1 11 ? -16.975 -1.234 4.630 1.00 0.00 ? 11 SER A N 27 ATOM 37044 C CA . SER A 1 11 ? -16.306 -1.346 5.913 1.00 0.00 ? 11 SER A CA 27 ATOM 37045 C C . SER A 1 11 ? -15.220 -2.408 5.810 1.00 0.00 ? 11 SER A C 27 ATOM 37046 O O . SER A 1 11 ? -14.104 -2.232 6.306 1.00 0.00 ? 11 SER A O 27 ATOM 37047 C CB . SER A 1 11 ? -17.305 -1.712 7.013 1.00 0.00 ? 11 SER A CB 27 ATOM 37048 O OG . SER A 1 11 ? -17.133 -0.889 8.153 1.00 0.00 ? 11 SER A OG 27 ATOM 37049 H H . SER A 1 11 ? -17.885 -1.578 4.534 1.00 0.00 ? 11 SER A H 27 ATOM 37050 H HA . SER A 1 11 ? -15.851 -0.394 6.141 1.00 0.00 ? 11 SER A HA 27 ATOM 37051 H HB2 . SER A 1 11 ? -18.310 -1.584 6.640 1.00 0.00 ? 11 SER A HB2 27 ATOM 37052 H HB3 . SER A 1 11 ? -17.159 -2.743 7.302 1.00 0.00 ? 11 SER A HB3 27 ATOM 37053 H HG . SER A 1 11 ? -17.992 -0.646 8.505 1.00 0.00 ? 11 SER A HG 27 ATOM 37054 N N . HIS A 1 12 ? -15.555 -3.510 5.138 1.00 0.00 ? 12 HIS A N 27 ATOM 37055 C CA . HIS A 1 12 ? -14.607 -4.597 4.947 1.00 0.00 ? 12 HIS A CA 27 ATOM 37056 C C . HIS A 1 12 ? -13.513 -4.172 3.960 1.00 0.00 ? 12 HIS A C 27 ATOM 37057 O O . HIS A 1 12 ? -12.336 -4.483 4.153 1.00 0.00 ? 12 HIS A O 27 ATOM 37058 C CB . HIS A 1 12 ? -15.357 -5.877 4.505 1.00 0.00 ? 12 HIS A CB 27 ATOM 37059 C CG . HIS A 1 12 ? -14.958 -6.456 3.175 1.00 0.00 ? 12 HIS A CG 27 ATOM 37060 N ND1 . HIS A 1 12 ? -13.685 -6.910 2.901 1.00 0.00 ? 12 HIS A ND1 27 ATOM 37061 C CD2 . HIS A 1 12 ? -15.680 -6.664 2.049 1.00 0.00 ? 12 HIS A CD2 27 ATOM 37062 C CE1 . HIS A 1 12 ? -13.642 -7.373 1.664 1.00 0.00 ? 12 HIS A CE1 27 ATOM 37063 N NE2 . HIS A 1 12 ? -14.839 -7.235 1.127 1.00 0.00 ? 12 HIS A NE2 27 ATOM 37064 H H . HIS A 1 12 ? -16.460 -3.586 4.752 1.00 0.00 ? 12 HIS A H 27 ATOM 37065 H HA . HIS A 1 12 ? -14.140 -4.786 5.904 1.00 0.00 ? 12 HIS A HA 27 ATOM 37066 H HB2 . HIS A 1 12 ? -15.199 -6.643 5.246 1.00 0.00 ? 12 HIS A HB2 27 ATOM 37067 H HB3 . HIS A 1 12 ? -16.415 -5.655 4.459 1.00 0.00 ? 12 HIS A HB3 27 ATOM 37068 H HD1 . HIS A 1 12 ? -12.926 -6.894 3.521 1.00 0.00 ? 12 HIS A HD1 27 ATOM 37069 H HD2 . HIS A 1 12 ? -16.723 -6.420 1.904 1.00 0.00 ? 12 HIS A HD2 27 ATOM 37070 H HE1 . HIS A 1 12 ? -12.775 -7.793 1.176 1.00 0.00 ? 12 HIS A HE1 27 ATOM 37071 H HE2 . HIS A 1 12 ? -15.086 -7.500 0.216 1.00 0.00 ? 12 HIS A HE2 27 ATOM 37072 N N . HIS A 1 13 ? -13.904 -3.444 2.913 1.00 0.00 ? 13 HIS A N 27 ATOM 37073 C CA . HIS A 1 13 ? -12.943 -2.970 1.922 1.00 0.00 ? 13 HIS A CA 27 ATOM 37074 C C . HIS A 1 13 ? -11.994 -1.961 2.549 1.00 0.00 ? 13 HIS A C 27 ATOM 37075 O O . HIS A 1 13 ? -10.859 -1.806 2.105 1.00 0.00 ? 13 HIS A O 27 ATOM 37076 C CB . HIS A 1 13 ? -13.646 -2.320 0.732 1.00 0.00 ? 13 HIS A CB 27 ATOM 37077 C CG . HIS A 1 13 ? -14.862 -3.047 0.267 1.00 0.00 ? 13 HIS A CG 27 ATOM 37078 N ND1 . HIS A 1 13 ? -15.028 -4.409 0.401 1.00 0.00 ? 13 HIS A ND1 27 ATOM 37079 C CD2 . HIS A 1 13 ? -15.977 -2.590 -0.341 1.00 0.00 ? 13 HIS A CD2 27 ATOM 37080 C CE1 . HIS A 1 13 ? -16.198 -4.758 -0.107 1.00 0.00 ? 13 HIS A CE1 27 ATOM 37081 N NE2 . HIS A 1 13 ? -16.792 -3.671 -0.564 1.00 0.00 ? 13 HIS A NE2 27 ATOM 37082 H H . HIS A 1 13 ? -14.852 -3.213 2.813 1.00 0.00 ? 13 HIS A H 27 ATOM 37083 H HA . HIS A 1 13 ? -12.373 -3.819 1.576 1.00 0.00 ? 13 HIS A HA 27 ATOM 37084 H HB2 . HIS A 1 13 ? -13.947 -1.320 1.006 1.00 0.00 ? 13 HIS A HB2 27 ATOM 37085 H HB3 . HIS A 1 13 ? -12.955 -2.265 -0.096 1.00 0.00 ? 13 HIS A HB3 27 ATOM 37086 H HD1 . HIS A 1 13 ? -14.385 -5.026 0.804 1.00 0.00 ? 13 HIS A HD1 27 ATOM 37087 H HD2 . HIS A 1 13 ? -16.181 -1.561 -0.603 1.00 0.00 ? 13 HIS A HD2 27 ATOM 37088 H HE1 . HIS A 1 13 ? -16.598 -5.760 -0.143 1.00 0.00 ? 13 HIS A HE1 27 ATOM 37089 H HE2 . HIS A 1 13 ? -17.674 -3.644 -0.992 1.00 0.00 ? 13 HIS A HE2 27 ATOM 37090 N N . ALA A 1 14 ? -12.468 -1.275 3.584 1.00 0.00 ? 14 ALA A N 27 ATOM 37091 C CA . ALA A 1 14 ? -11.657 -0.283 4.274 1.00 0.00 ? 14 ALA A CA 27 ATOM 37092 C C . ALA A 1 14 ? -10.515 -0.962 5.007 1.00 0.00 ? 14 ALA A C 27 ATOM 37093 O O . ALA A 1 14 ? -9.357 -0.564 4.880 1.00 0.00 ? 14 ALA A O 27 ATOM 37094 C CB . ALA A 1 14 ? -12.511 0.525 5.240 1.00 0.00 ? 14 ALA A CB 27 ATOM 37095 H H . ALA A 1 14 ? -13.381 -1.445 3.892 1.00 0.00 ? 14 ALA A H 27 ATOM 37096 H HA . ALA A 1 14 ? -11.249 0.389 3.533 1.00 0.00 ? 14 ALA A HA 27 ATOM 37097 H HB1 . ALA A 1 14 ? -13.018 -0.144 5.918 1.00 0.00 ? 14 ALA A HB1 27 ATOM 37098 H HB2 . ALA A 1 14 ? -11.879 1.197 5.802 1.00 0.00 ? 14 ALA A HB2 27 ATOM 37099 H HB3 . ALA A 1 14 ? -13.241 1.096 4.684 1.00 0.00 ? 14 ALA A HB3 27 ATOM 37100 N N . LYS A 1 15 ? -10.845 -2.002 5.762 1.00 0.00 ? 15 LYS A N 27 ATOM 37101 C CA . LYS A 1 15 ? -9.838 -2.751 6.500 1.00 0.00 ? 15 LYS A CA 27 ATOM 37102 C C . LYS A 1 15 ? -8.915 -3.499 5.537 1.00 0.00 ? 15 LYS A C 27 ATOM 37103 O O . LYS A 1 15 ? -7.803 -3.880 5.901 1.00 0.00 ? 15 LYS A O 27 ATOM 37104 C CB . LYS A 1 15 ? -10.506 -3.739 7.458 1.00 0.00 ? 15 LYS A CB 27 ATOM 37105 C CG . LYS A 1 15 ? -10.996 -3.099 8.747 1.00 0.00 ? 15 LYS A CG 27 ATOM 37106 C CD . LYS A 1 15 ? -11.831 -4.069 9.567 1.00 0.00 ? 15 LYS A CD 27 ATOM 37107 C CE . LYS A 1 15 ? -12.079 -3.541 10.971 1.00 0.00 ? 15 LYS A CE 27 ATOM 37108 N NZ . LYS A 1 15 ? -10.863 -3.640 11.825 1.00 0.00 ? 15 LYS A NZ 27 ATOM 37109 H H . LYS A 1 15 ? -11.787 -2.280 5.814 1.00 0.00 ? 15 LYS A H 27 ATOM 37110 H HA . LYS A 1 15 ? -9.252 -2.047 7.071 1.00 0.00 ? 15 LYS A HA 27 ATOM 37111 H HB2 . LYS A 1 15 ? -11.352 -4.190 6.960 1.00 0.00 ? 15 LYS A HB2 27 ATOM 37112 H HB3 . LYS A 1 15 ? -9.795 -4.512 7.713 1.00 0.00 ? 15 LYS A HB3 27 ATOM 37113 H HG2 . LYS A 1 15 ? -10.142 -2.792 9.332 1.00 0.00 ? 15 LYS A HG2 27 ATOM 37114 H HG3 . LYS A 1 15 ? -11.597 -2.237 8.503 1.00 0.00 ? 15 LYS A HG3 27 ATOM 37115 H HD2 . LYS A 1 15 ? -12.782 -4.216 9.076 1.00 0.00 ? 15 LYS A HD2 27 ATOM 37116 H HD3 . LYS A 1 15 ? -11.309 -5.013 9.634 1.00 0.00 ? 15 LYS A HD3 27 ATOM 37117 H HE2 . LYS A 1 15 ? -12.377 -2.506 10.905 1.00 0.00 ? 15 LYS A HE2 27 ATOM 37118 H HE3 . LYS A 1 15 ? -12.874 -4.116 11.422 1.00 0.00 ? 15 LYS A HE3 27 ATOM 37119 H HZ1 . LYS A 1 15 ? -10.147 -4.234 11.359 1.00 0.00 ? 15 LYS A HZ1 27 ATOM 37120 H HZ2 . LYS A 1 15 ? -10.461 -2.696 11.987 1.00 0.00 ? 15 LYS A HZ2 27 ATOM 37121 H HZ3 . LYS A 1 15 ? -11.105 -4.063 12.744 1.00 0.00 ? 15 LYS A HZ3 27 ATOM 37122 N N . GLU A 1 16 ? -9.387 -3.708 4.307 1.00 0.00 ? 16 GLU A N 27 ATOM 37123 C CA . GLU A 1 16 ? -8.607 -4.414 3.296 1.00 0.00 ? 16 GLU A CA 27 ATOM 37124 C C . GLU A 1 16 ? -7.521 -3.522 2.700 1.00 0.00 ? 16 GLU A C 27 ATOM 37125 O O . GLU A 1 16 ? -6.392 -3.966 2.494 1.00 0.00 ? 16 GLU A O 27 ATOM 37126 C CB . GLU A 1 16 ? -9.524 -4.929 2.184 1.00 0.00 ? 16 GLU A CB 27 ATOM 37127 C CG . GLU A 1 16 ? -10.407 -6.089 2.613 1.00 0.00 ? 16 GLU A CG 27 ATOM 37128 C CD . GLU A 1 16 ? -9.928 -7.420 2.067 1.00 0.00 ? 16 GLU A CD 27 ATOM 37129 O OE1 . GLU A 1 16 ? -8.763 -7.494 1.621 1.00 0.00 ? 16 GLU A OE1 27 ATOM 37130 O OE2 . GLU A 1 16 ? -10.716 -8.388 2.085 1.00 0.00 ? 16 GLU A OE2 27 ATOM 37131 H H . GLU A 1 16 ? -10.283 -3.388 4.075 1.00 0.00 ? 16 GLU A H 27 ATOM 37132 H HA . GLU A 1 16 ? -8.134 -5.257 3.776 1.00 0.00 ? 16 GLU A HA 27 ATOM 37133 H HB2 . GLU A 1 16 ? -10.161 -4.121 1.857 1.00 0.00 ? 16 GLU A HB2 27 ATOM 37134 H HB3 . GLU A 1 16 ? -8.915 -5.256 1.355 1.00 0.00 ? 16 GLU A HB3 27 ATOM 37135 H HG2 . GLU A 1 16 ? -10.413 -6.142 3.692 1.00 0.00 ? 16 GLU A HG2 27 ATOM 37136 H HG3 . GLU A 1 16 ? -11.411 -5.911 2.256 1.00 0.00 ? 16 GLU A HG3 27 ATOM 37137 N N . ILE A 1 17 ? -7.858 -2.264 2.424 1.00 0.00 ? 17 ILE A N 27 ATOM 37138 C CA . ILE A 1 17 ? -6.894 -1.330 1.855 1.00 0.00 ? 17 ILE A CA 27 ATOM 37139 C C . ILE A 1 17 ? -5.946 -0.815 2.932 1.00 0.00 ? 17 ILE A C 27 ATOM 37140 O O . ILE A 1 17 ? -4.809 -0.438 2.645 1.00 0.00 ? 17 ILE A O 27 ATOM 37141 C CB . ILE A 1 17 ? -7.602 -0.141 1.173 1.00 0.00 ? 17 ILE A CB 27 ATOM 37142 C CG1 . ILE A 1 17 ? -6.579 0.803 0.528 1.00 0.00 ? 17 ILE A CG1 27 ATOM 37143 C CG2 . ILE A 1 17 ? -8.478 0.603 2.171 1.00 0.00 ? 17 ILE A CG2 27 ATOM 37144 C CD1 . ILE A 1 17 ? -5.882 1.727 1.506 1.00 0.00 ? 17 ILE A CD1 27 ATOM 37145 H H . ILE A 1 17 ? -8.772 -1.956 2.609 1.00 0.00 ? 17 ILE A H 27 ATOM 37146 H HA . ILE A 1 17 ? -6.315 -1.857 1.107 1.00 0.00 ? 17 ILE A HA 27 ATOM 37147 H HB . ILE A 1 17 ? -8.245 -0.538 0.400 1.00 0.00 ? 17 ILE A HB 27 ATOM 37148 H HG12 . ILE A 1 17 ? -5.822 0.215 0.034 1.00 0.00 ? 17 ILE A HG12 27 ATOM 37149 H HG13 . ILE A 1 17 ? -7.084 1.417 -0.205 1.00 0.00 ? 17 ILE A HG13 27 ATOM 37150 H HG21 . ILE A 1 17 ? -8.261 0.254 3.170 1.00 0.00 ? 17 ILE A HG21 27 ATOM 37151 H HG22 . ILE A 1 17 ? -8.277 1.662 2.108 1.00 0.00 ? 17 ILE A HG22 27 ATOM 37152 H HG23 . ILE A 1 17 ? -9.518 0.421 1.944 1.00 0.00 ? 17 ILE A HG23 27 ATOM 37153 H HD11 . ILE A 1 17 ? -6.266 1.559 2.500 1.00 0.00 ? 17 ILE A HD11 27 ATOM 37154 H HD12 . ILE A 1 17 ? -4.820 1.530 1.492 1.00 0.00 ? 17 ILE A HD12 27 ATOM 37155 H HD13 . ILE A 1 17 ? -6.060 2.754 1.220 1.00 0.00 ? 17 ILE A HD13 27 ATOM 37156 N N . GLU A 1 18 ? -6.415 -0.821 4.174 1.00 0.00 ? 18 GLU A N 27 ATOM 37157 C CA . GLU A 1 18 ? -5.604 -0.369 5.297 1.00 0.00 ? 18 GLU A CA 27 ATOM 37158 C C . GLU A 1 18 ? -4.640 -1.469 5.724 1.00 0.00 ? 18 GLU A C 27 ATOM 37159 O O . GLU A 1 18 ? -3.525 -1.194 6.170 1.00 0.00 ? 18 GLU A O 27 ATOM 37160 C CB . GLU A 1 18 ? -6.494 0.035 6.473 1.00 0.00 ? 18 GLU A CB 27 ATOM 37161 C CG . GLU A 1 18 ? -5.717 0.431 7.716 1.00 0.00 ? 18 GLU A CG 27 ATOM 37162 C CD . GLU A 1 18 ? -6.299 1.652 8.403 1.00 0.00 ? 18 GLU A CD 27 ATOM 37163 O OE1 . GLU A 1 18 ? -7.477 1.596 8.815 1.00 0.00 ? 18 GLU A OE1 27 ATOM 37164 O OE2 . GLU A 1 18 ? -5.576 2.662 8.531 1.00 0.00 ? 18 GLU A OE2 27 ATOM 37165 H H . GLU A 1 18 ? -7.323 -1.144 4.342 1.00 0.00 ? 18 GLU A H 27 ATOM 37166 H HA . GLU A 1 18 ? -5.035 0.488 4.972 1.00 0.00 ? 18 GLU A HA 27 ATOM 37167 H HB2 . GLU A 1 18 ? -7.106 0.874 6.174 1.00 0.00 ? 18 GLU A HB2 27 ATOM 37168 H HB3 . GLU A 1 18 ? -7.137 -0.796 6.726 1.00 0.00 ? 18 GLU A HB3 27 ATOM 37169 H HG2 . GLU A 1 18 ? -5.730 -0.394 8.413 1.00 0.00 ? 18 GLU A HG2 27 ATOM 37170 H HG3 . GLU A 1 18 ? -4.697 0.647 7.434 1.00 0.00 ? 18 GLU A HG3 27 ATOM 37171 N N . ARG A 1 19 ? -5.074 -2.717 5.573 1.00 0.00 ? 19 ARG A N 27 ATOM 37172 C CA . ARG A 1 19 ? -4.245 -3.859 5.932 1.00 0.00 ? 19 ARG A CA 27 ATOM 37173 C C . ARG A 1 19 ? -3.121 -4.036 4.918 1.00 0.00 ? 19 ARG A C 27 ATOM 37174 O O . ARG A 1 19 ? -1.953 -4.194 5.286 1.00 0.00 ? 19 ARG A O 27 ATOM 37175 C CB . ARG A 1 19 ? -5.092 -5.131 6.001 1.00 0.00 ? 19 ARG A CB 27 ATOM 37176 C CG . ARG A 1 19 ? -4.368 -6.311 6.632 1.00 0.00 ? 19 ARG A CG 27 ATOM 37177 C CD . ARG A 1 19 ? -5.227 -6.995 7.682 1.00 0.00 ? 19 ARG A CD 27 ATOM 37178 N NE . ARG A 1 19 ? -6.170 -7.938 7.088 1.00 0.00 ? 19 ARG A NE 27 ATOM 37179 C CZ . ARG A 1 19 ? -5.844 -9.172 6.719 1.00 0.00 ? 19 ARG A CZ 27 ATOM 37180 N NH1 . ARG A 1 19 ? -4.601 -9.608 6.881 1.00 0.00 ? 19 ARG A NH1 27 ATOM 37181 N NH2 . ARG A 1 19 ? -6.757 -9.972 6.186 1.00 0.00 ? 19 ARG A NH2 27 ATOM 37182 H H . ARG A 1 19 ? -5.969 -2.872 5.204 1.00 0.00 ? 19 ARG A H 27 ATOM 37183 H HA . ARG A 1 19 ? -3.814 -3.668 6.903 1.00 0.00 ? 19 ARG A HA 27 ATOM 37184 H HB2 . ARG A 1 19 ? -5.979 -4.929 6.584 1.00 0.00 ? 19 ARG A HB2 27 ATOM 37185 H HB3 . ARG A 1 19 ? -5.386 -5.410 5.001 1.00 0.00 ? 19 ARG A HB3 27 ATOM 37186 H HG2 . ARG A 1 19 ? -4.125 -7.025 5.859 1.00 0.00 ? 19 ARG A HG2 27 ATOM 37187 H HG3 . ARG A 1 19 ? -3.460 -5.956 7.096 1.00 0.00 ? 19 ARG A HG3 27 ATOM 37188 H HD2 . ARG A 1 19 ? -4.582 -7.528 8.364 1.00 0.00 ? 19 ARG A HD2 27 ATOM 37189 H HD3 . ARG A 1 19 ? -5.779 -6.241 8.224 1.00 0.00 ? 19 ARG A HD3 27 ATOM 37190 H HE . ARG A 1 19 ? -7.094 -7.636 6.959 1.00 0.00 ? 19 ARG A HE 27 ATOM 37191 H HH11 . ARG A 1 19 ? -3.910 -9.008 7.283 1.00 0.00 ? 19 ARG A HH11 27 ATOM 37192 H HH12 . ARG A 1 19 ? -4.358 -10.537 6.603 1.00 0.00 ? 19 ARG A HH12 27 ATOM 37193 H HH21 . ARG A 1 19 ? -7.695 -9.646 6.063 1.00 0.00 ? 19 ARG A HH21 27 ATOM 37194 H HH22 . ARG A 1 19 ? -6.510 -10.900 5.908 1.00 0.00 ? 19 ARG A HH22 27 ATOM 37195 N N . LEU A 1 20 ? -3.476 -3.990 3.638 1.00 0.00 ? 20 LEU A N 27 ATOM 37196 C CA . LEU A 1 20 ? -2.492 -4.129 2.580 1.00 0.00 ? 20 LEU A CA 27 ATOM 37197 C C . LEU A 1 20 ? -1.529 -2.951 2.616 1.00 0.00 ? 20 LEU A C 27 ATOM 37198 O O . LEU A 1 20 ? -0.331 -3.108 2.388 1.00 0.00 ? 20 LEU A O 27 ATOM 37199 C CB . LEU A 1 20 ? -3.179 -4.217 1.217 1.00 0.00 ? 20 LEU A CB 27 ATOM 37200 C CG . LEU A 1 20 ? -3.650 -5.617 0.816 1.00 0.00 ? 20 LEU A CG 27 ATOM 37201 C CD1 . LEU A 1 20 ? -2.474 -6.460 0.345 1.00 0.00 ? 20 LEU A CD1 27 ATOM 37202 C CD2 . LEU A 1 20 ? -4.362 -6.294 1.978 1.00 0.00 ? 20 LEU A CD2 27 ATOM 37203 H H . LEU A 1 20 ? -4.418 -3.845 3.399 1.00 0.00 ? 20 LEU A H 27 ATOM 37204 H HA . LEU A 1 20 ? -1.937 -5.040 2.759 1.00 0.00 ? 20 LEU A HA 27 ATOM 37205 H HB2 . LEU A 1 20 ? -4.036 -3.559 1.226 1.00 0.00 ? 20 LEU A HB2 27 ATOM 37206 H HB3 . LEU A 1 20 ? -2.488 -3.867 0.467 1.00 0.00 ? 20 LEU A HB3 27 ATOM 37207 H HG . LEU A 1 20 ? -4.348 -5.532 -0.004 1.00 0.00 ? 20 LEU A HG 27 ATOM 37208 H HD11 . LEU A 1 20 ? -1.678 -5.811 0.009 1.00 0.00 ? 20 LEU A HD11 27 ATOM 37209 H HD12 . LEU A 1 20 ? -2.120 -7.072 1.161 1.00 0.00 ? 20 LEU A HD12 27 ATOM 37210 H HD13 . LEU A 1 20 ? -2.790 -7.093 -0.471 1.00 0.00 ? 20 LEU A HD13 27 ATOM 37211 H HD21 . LEU A 1 20 ? -3.776 -6.177 2.877 1.00 0.00 ? 20 LEU A HD21 27 ATOM 37212 H HD22 . LEU A 1 20 ? -5.332 -5.842 2.118 1.00 0.00 ? 20 LEU A HD22 27 ATOM 37213 H HD23 . LEU A 1 20 ? -4.482 -7.345 1.761 1.00 0.00 ? 20 LEU A HD23 27 ATOM 37214 N N . GLN A 1 21 ? -2.067 -1.771 2.916 1.00 0.00 ? 21 GLN A N 27 ATOM 37215 C CA . GLN A 1 21 ? -1.259 -0.561 2.997 1.00 0.00 ? 21 GLN A CA 27 ATOM 37216 C C . GLN A 1 21 ? -0.219 -0.692 4.103 1.00 0.00 ? 21 GLN A C 27 ATOM 37217 O O . GLN A 1 21 ? 0.901 -0.198 3.980 1.00 0.00 ? 21 GLN A O 27 ATOM 37218 C CB . GLN A 1 21 ? -2.147 0.656 3.255 1.00 0.00 ? 21 GLN A CB 27 ATOM 37219 C CG . GLN A 1 21 ? -1.368 1.940 3.486 1.00 0.00 ? 21 GLN A CG 27 ATOM 37220 C CD . GLN A 1 21 ? -1.168 2.244 4.958 1.00 0.00 ? 21 GLN A CD 27 ATOM 37221 O OE1 . GLN A 1 21 ? -0.040 2.420 5.420 1.00 0.00 ? 21 GLN A OE1 27 ATOM 37222 N NE2 . GLN A 1 21 ? -2.265 2.306 5.704 1.00 0.00 ? 21 GLN A NE2 27 ATOM 37223 H H . GLN A 1 21 ? -3.029 -1.715 3.097 1.00 0.00 ? 21 GLN A H 27 ATOM 37224 H HA . GLN A 1 21 ? -0.752 -0.435 2.052 1.00 0.00 ? 21 GLN A HA 27 ATOM 37225 H HB2 . GLN A 1 21 ? -2.796 0.802 2.403 1.00 0.00 ? 21 GLN A HB2 27 ATOM 37226 H HB3 . GLN A 1 21 ? -2.753 0.467 4.128 1.00 0.00 ? 21 GLN A HB3 27 ATOM 37227 H HG2 . GLN A 1 21 ? -0.398 1.846 3.019 1.00 0.00 ? 21 GLN A HG2 27 ATOM 37228 H HG3 . GLN A 1 21 ? -1.907 2.760 3.034 1.00 0.00 ? 21 GLN A HG3 27 ATOM 37229 H HE21 . GLN A 1 21 ? -3.130 2.155 5.268 1.00 0.00 ? 21 GLN A HE21 27 ATOM 37230 H HE22 . GLN A 1 21 ? -2.165 2.502 6.659 1.00 0.00 ? 21 GLN A HE22 27 ATOM 37231 N N . LYS A 1 22 ? -0.599 -1.372 5.181 1.00 0.00 ? 22 LYS A N 27 ATOM 37232 C CA . LYS A 1 22 ? 0.301 -1.579 6.308 1.00 0.00 ? 22 LYS A CA 27 ATOM 37233 C C . LYS A 1 22 ? 1.529 -2.367 5.869 1.00 0.00 ? 22 LYS A C 27 ATOM 37234 O O . LYS A 1 22 ? 2.664 -1.962 6.121 1.00 0.00 ? 22 LYS A O 27 ATOM 37235 C CB . LYS A 1 22 ? -0.420 -2.317 7.437 1.00 0.00 ? 22 LYS A CB 27 ATOM 37236 C CG . LYS A 1 22 ? 0.492 -2.708 8.588 1.00 0.00 ? 22 LYS A CG 27 ATOM 37237 C CD . LYS A 1 22 ? -0.154 -3.757 9.479 1.00 0.00 ? 22 LYS A CD 27 ATOM 37238 C CE . LYS A 1 22 ? -0.337 -5.075 8.745 1.00 0.00 ? 22 LYS A CE 27 ATOM 37239 N NZ . LYS A 1 22 ? -0.087 -6.244 9.633 1.00 0.00 ? 22 LYS A NZ 27 ATOM 37240 H H . LYS A 1 22 ? -1.504 -1.747 5.216 1.00 0.00 ? 22 LYS A H 27 ATOM 37241 H HA . LYS A 1 22 ? 0.617 -0.610 6.664 1.00 0.00 ? 22 LYS A HA 27 ATOM 37242 H HB2 . LYS A 1 22 ? -1.202 -1.682 7.825 1.00 0.00 ? 22 LYS A HB2 27 ATOM 37243 H HB3 . LYS A 1 22 ? -0.864 -3.217 7.037 1.00 0.00 ? 22 LYS A HB3 27 ATOM 37244 H HG2 . LYS A 1 22 ? 1.411 -3.108 8.187 1.00 0.00 ? 22 LYS A HG2 27 ATOM 37245 H HG3 . LYS A 1 22 ? 0.707 -1.829 9.179 1.00 0.00 ? 22 LYS A HG3 27 ATOM 37246 H HD2 . LYS A 1 22 ? 0.475 -3.920 10.340 1.00 0.00 ? 22 LYS A HD2 27 ATOM 37247 H HD3 . LYS A 1 22 ? -1.120 -3.397 9.799 1.00 0.00 ? 22 LYS A HD3 27 ATOM 37248 H HE2 . LYS A 1 22 ? -1.348 -5.128 8.371 1.00 0.00 ? 22 LYS A HE2 27 ATOM 37249 H HE3 . LYS A 1 22 ? 0.354 -5.109 7.915 1.00 0.00 ? 22 LYS A HE3 27 ATOM 37250 H HZ1 . LYS A 1 22 ? 0.674 -6.026 10.306 1.00 0.00 ? 22 LYS A HZ1 27 ATOM 37251 H HZ2 . LYS A 1 22 ? -0.949 -6.480 10.165 1.00 0.00 ? 22 LYS A HZ2 27 ATOM 37252 H HZ3 . LYS A 1 22 ? 0.193 -7.071 9.066 1.00 0.00 ? 22 LYS A HZ3 27 ATOM 37253 N N . GLU A 1 23 ? 1.294 -3.494 5.203 1.00 0.00 ? 23 GLU A N 27 ATOM 37254 C CA . GLU A 1 23 ? 2.386 -4.336 4.723 1.00 0.00 ? 23 GLU A CA 27 ATOM 37255 C C . GLU A 1 23 ? 3.322 -3.540 3.816 1.00 0.00 ? 23 GLU A C 27 ATOM 37256 O O . GLU A 1 23 ? 4.550 -3.629 3.934 1.00 0.00 ? 23 GLU A O 27 ATOM 37257 C CB . GLU A 1 23 ? 1.832 -5.546 3.970 1.00 0.00 ? 23 GLU A CB 27 ATOM 37258 C CG . GLU A 1 23 ? 2.515 -6.854 4.334 1.00 0.00 ? 23 GLU A CG 27 ATOM 37259 C CD . GLU A 1 23 ? 1.632 -8.062 4.084 1.00 0.00 ? 23 GLU A CD 27 ATOM 37260 O OE1 . GLU A 1 23 ? 1.432 -8.417 2.903 1.00 0.00 ? 23 GLU A OE1 27 ATOM 37261 O OE2 . GLU A 1 23 ? 1.143 -8.654 5.069 1.00 0.00 ? 23 GLU A OE2 27 ATOM 37262 H H . GLU A 1 23 ? 0.364 -3.765 5.029 1.00 0.00 ? 23 GLU A H 27 ATOM 37263 H HA . GLU A 1 23 ? 2.941 -4.681 5.583 1.00 0.00 ? 23 GLU A HA 27 ATOM 37264 H HB2 . GLU A 1 23 ? 0.779 -5.642 4.190 1.00 0.00 ? 23 GLU A HB2 27 ATOM 37265 H HB3 . GLU A 1 23 ? 1.956 -5.384 2.910 1.00 0.00 ? 23 GLU A HB3 27 ATOM 37266 H HG2 . GLU A 1 23 ? 3.412 -6.955 3.742 1.00 0.00 ? 23 GLU A HG2 27 ATOM 37267 H HG3 . GLU A 1 23 ? 2.777 -6.829 5.382 1.00 0.00 ? 23 GLU A HG3 27 ATOM 37268 N N . ILE A 1 24 ? 2.737 -2.755 2.917 1.00 0.00 ? 24 ILE A N 27 ATOM 37269 C CA . ILE A 1 24 ? 3.526 -1.940 2.000 1.00 0.00 ? 24 ILE A CA 27 ATOM 37270 C C . ILE A 1 24 ? 4.351 -0.925 2.792 1.00 0.00 ? 24 ILE A C 27 ATOM 37271 O O . ILE A 1 24 ? 5.429 -0.516 2.367 1.00 0.00 ? 24 ILE A O 27 ATOM 37272 C CB . ILE A 1 24 ? 2.649 -1.225 0.915 1.00 0.00 ? 24 ILE A CB 27 ATOM 37273 C CG1 . ILE A 1 24 ? 2.286 0.217 1.299 1.00 0.00 ? 24 ILE A CG1 27 ATOM 37274 C CG2 . ILE A 1 24 ? 1.380 -2.013 0.632 1.00 0.00 ? 24 ILE A CG2 27 ATOM 37275 C CD1 . ILE A 1 24 ? 3.244 1.241 0.730 1.00 0.00 ? 24 ILE A CD1 27 ATOM 37276 H H . ILE A 1 24 ? 1.759 -2.719 2.879 1.00 0.00 ? 24 ILE A H 27 ATOM 37277 H HA . ILE A 1 24 ? 4.210 -2.605 1.487 1.00 0.00 ? 24 ILE A HA 27 ATOM 37278 H HB . ILE A 1 24 ? 3.223 -1.202 -0.001 1.00 0.00 ? 24 ILE A HB 27 ATOM 37279 H HG12 . ILE A 1 24 ? 1.297 0.445 0.930 1.00 0.00 ? 24 ILE A HG12 27 ATOM 37280 H HG13 . ILE A 1 24 ? 2.295 0.313 2.375 1.00 0.00 ? 24 ILE A HG13 27 ATOM 37281 H HG21 . ILE A 1 24 ? 1.501 -3.030 0.975 1.00 0.00 ? 24 ILE A HG21 27 ATOM 37282 H HG22 . ILE A 1 24 ? 0.552 -1.554 1.149 1.00 0.00 ? 24 ILE A HG22 27 ATOM 37283 H HG23 . ILE A 1 24 ? 1.186 -2.012 -0.428 1.00 0.00 ? 24 ILE A HG23 27 ATOM 37284 H HD11 . ILE A 1 24 ? 3.972 0.741 0.106 1.00 0.00 ? 24 ILE A HD11 27 ATOM 37285 H HD12 . ILE A 1 24 ? 2.694 1.959 0.138 1.00 0.00 ? 24 ILE A HD12 27 ATOM 37286 H HD13 . ILE A 1 24 ? 3.749 1.749 1.537 1.00 0.00 ? 24 ILE A HD13 27 ATOM 37287 N N . GLU A 1 25 ? 3.823 -0.532 3.950 1.00 0.00 ? 25 GLU A N 27 ATOM 37288 C CA . GLU A 1 25 ? 4.497 0.426 4.817 1.00 0.00 ? 25 GLU A CA 27 ATOM 37289 C C . GLU A 1 25 ? 5.771 -0.182 5.386 1.00 0.00 ? 25 GLU A C 27 ATOM 37290 O O . GLU A 1 25 ? 6.779 0.505 5.545 1.00 0.00 ? 25 GLU A O 27 ATOM 37291 C CB . GLU A 1 25 ? 3.570 0.861 5.953 1.00 0.00 ? 25 GLU A CB 27 ATOM 37292 C CG . GLU A 1 25 ? 3.350 2.364 6.018 1.00 0.00 ? 25 GLU A CG 27 ATOM 37293 C CD . GLU A 1 25 ? 2.492 2.777 7.197 1.00 0.00 ? 25 GLU A CD 27 ATOM 37294 O OE1 . GLU A 1 25 ? 2.296 1.946 8.109 1.00 0.00 ? 25 GLU A OE1 27 ATOM 37295 O OE2 . GLU A 1 25 ? 2.017 3.932 7.209 1.00 0.00 ? 25 GLU A OE2 27 ATOM 37296 H H . GLU A 1 25 ? 2.959 -0.899 4.230 1.00 0.00 ? 25 GLU A H 27 ATOM 37297 H HA . GLU A 1 25 ? 4.756 1.289 4.221 1.00 0.00 ? 25 GLU A HA 27 ATOM 37298 H HB2 . GLU A 1 25 ? 2.610 0.384 5.822 1.00 0.00 ? 25 GLU A HB2 27 ATOM 37299 H HB3 . GLU A 1 25 ? 3.996 0.541 6.892 1.00 0.00 ? 25 GLU A HB3 27 ATOM 37300 H HG2 . GLU A 1 25 ? 4.310 2.852 6.102 1.00 0.00 ? 25 GLU A HG2 27 ATOM 37301 H HG3 . GLU A 1 25 ? 2.864 2.683 5.107 1.00 0.00 ? 25 GLU A HG3 27 ATOM 37302 N N . ARG A 1 26 ? 5.722 -1.477 5.680 1.00 0.00 ? 26 ARG A N 27 ATOM 37303 C CA . ARG A 1 26 ? 6.879 -2.180 6.216 1.00 0.00 ? 26 ARG A CA 27 ATOM 37304 C C . ARG A 1 26 ? 8.015 -2.151 5.204 1.00 0.00 ? 26 ARG A C 27 ATOM 37305 O O . ARG A 1 26 ? 9.130 -1.716 5.510 1.00 0.00 ? 26 ARG A O 27 ATOM 37306 C CB . ARG A 1 26 ? 6.515 -3.627 6.558 1.00 0.00 ? 26 ARG A CB 27 ATOM 37307 C CG . ARG A 1 26 ? 7.171 -4.133 7.834 1.00 0.00 ? 26 ARG A CG 27 ATOM 37308 C CD . ARG A 1 26 ? 8.216 -5.195 7.539 1.00 0.00 ? 26 ARG A CD 27 ATOM 37309 N NE . ARG A 1 26 ? 8.812 -5.730 8.760 1.00 0.00 ? 26 ARG A NE 27 ATOM 37310 C CZ . ARG A 1 26 ? 9.983 -6.359 8.794 1.00 0.00 ? 26 ARG A CZ 27 ATOM 37311 N NH1 . ARG A 1 26 ? 10.678 -6.530 7.678 1.00 0.00 ? 26 ARG A NH1 27 ATOM 37312 N NH2 . ARG A 1 26 ? 10.458 -6.817 9.944 1.00 0.00 ? 26 ARG A NH2 27 ATOM 37313 H H . ARG A 1 26 ? 4.890 -1.973 5.522 1.00 0.00 ? 26 ARG A H 27 ATOM 37314 H HA . ARG A 1 26 ? 7.194 -1.670 7.114 1.00 0.00 ? 26 ARG A HA 27 ATOM 37315 H HB2 . ARG A 1 26 ? 5.444 -3.699 6.675 1.00 0.00 ? 26 ARG A HB2 27 ATOM 37316 H HB3 . ARG A 1 26 ? 6.823 -4.266 5.743 1.00 0.00 ? 26 ARG A HB3 27 ATOM 37317 H HG2 . ARG A 1 26 ? 7.645 -3.303 8.336 1.00 0.00 ? 26 ARG A HG2 27 ATOM 37318 H HG3 . ARG A 1 26 ? 6.410 -4.557 8.473 1.00 0.00 ? 26 ARG A HG3 27 ATOM 37319 H HD2 . ARG A 1 26 ? 7.749 -6.002 6.995 1.00 0.00 ? 26 ARG A HD2 27 ATOM 37320 H HD3 . ARG A 1 26 ? 8.995 -4.757 6.932 1.00 0.00 ? 26 ARG A HD3 27 ATOM 37321 H HE . ARG A 1 26 ? 8.314 -5.615 9.596 1.00 0.00 ? 26 ARG A HE 27 ATOM 37322 H HH11 . ARG A 1 26 ? 10.322 -6.186 6.810 1.00 0.00 ? 26 ARG A HH11 27 ATOM 37323 H HH12 . ARG A 1 26 ? 11.559 -7.003 7.706 1.00 0.00 ? 26 ARG A HH12 27 ATOM 37324 H HH21 . ARG A 1 26 ? 9.936 -6.689 10.788 1.00 0.00 ? 26 ARG A HH21 27 ATOM 37325 H HH22 . ARG A 1 26 ? 11.338 -7.290 9.968 1.00 0.00 ? 26 ARG A HH22 27 ATOM 37326 N N . HIS A 1 27 ? 7.721 -2.593 3.985 1.00 0.00 ? 27 HIS A N 27 ATOM 37327 C CA . HIS A 1 27 ? 8.715 -2.593 2.923 1.00 0.00 ? 27 HIS A CA 27 ATOM 37328 C C . HIS A 1 27 ? 9.115 -1.161 2.581 1.00 0.00 ? 27 HIS A C 27 ATOM 37329 O O . HIS A 1 27 ? 10.203 -0.917 2.058 1.00 0.00 ? 27 HIS A O 27 ATOM 37330 C CB . HIS A 1 27 ? 8.169 -3.298 1.680 1.00 0.00 ? 27 HIS A CB 27 ATOM 37331 C CG . HIS A 1 27 ? 8.956 -4.509 1.285 1.00 0.00 ? 27 HIS A CG 27 ATOM 37332 N ND1 . HIS A 1 27 ? 10.202 -4.440 0.696 1.00 0.00 ? 27 HIS A ND1 27 ATOM 37333 C CD2 . HIS A 1 27 ? 8.669 -5.828 1.398 1.00 0.00 ? 27 HIS A CD2 27 ATOM 37334 C CE1 . HIS A 1 27 ? 10.646 -5.662 0.464 1.00 0.00 ? 27 HIS A CE1 27 ATOM 37335 N NE2 . HIS A 1 27 ? 9.735 -6.522 0.881 1.00 0.00 ? 27 HIS A NE2 27 ATOM 37336 H H . HIS A 1 27 ? 6.809 -2.910 3.791 1.00 0.00 ? 27 HIS A H 27 ATOM 37337 H HA . HIS A 1 27 ? 9.584 -3.125 3.280 1.00 0.00 ? 27 HIS A HA 27 ATOM 37338 H HB2 . HIS A 1 27 ? 7.153 -3.609 1.867 1.00 0.00 ? 27 HIS A HB2 27 ATOM 37339 H HB3 . HIS A 1 27 ? 8.182 -2.608 0.849 1.00 0.00 ? 27 HIS A HB3 27 ATOM 37340 H HD1 . HIS A 1 27 ? 10.688 -3.617 0.480 1.00 0.00 ? 27 HIS A HD1 27 ATOM 37341 H HD2 . HIS A 1 27 ? 7.768 -6.254 1.818 1.00 0.00 ? 27 HIS A HD2 27 ATOM 37342 H HE1 . HIS A 1 27 ? 11.593 -5.916 0.010 1.00 0.00 ? 27 HIS A HE1 27 ATOM 37343 H HE2 . HIS A 1 27 ? 9.810 -7.497 0.828 1.00 0.00 ? 27 HIS A HE2 27 ATOM 37344 N N . LYS A 1 28 ? 8.226 -0.217 2.888 1.00 0.00 ? 28 LYS A N 27 ATOM 37345 C CA . LYS A 1 28 ? 8.477 1.192 2.622 1.00 0.00 ? 28 LYS A CA 27 ATOM 37346 C C . LYS A 1 28 ? 9.417 1.785 3.665 1.00 0.00 ? 28 LYS A C 27 ATOM 37347 O O . LYS A 1 28 ? 10.105 2.771 3.403 1.00 0.00 ? 28 LYS A O 27 ATOM 37348 C CB . LYS A 1 28 ? 7.161 1.972 2.604 1.00 0.00 ? 28 LYS A CB 27 ATOM 37349 C CG . LYS A 1 28 ? 7.279 3.348 1.967 1.00 0.00 ? 28 LYS A CG 27 ATOM 37350 C CD . LYS A 1 28 ? 6.247 4.312 2.529 1.00 0.00 ? 28 LYS A CD 27 ATOM 37351 C CE . LYS A 1 28 ? 4.841 3.744 2.428 1.00 0.00 ? 28 LYS A CE 27 ATOM 37352 N NZ . LYS A 1 28 ? 3.815 4.711 2.908 1.00 0.00 ? 28 LYS A NZ 27 ATOM 37353 H H . LYS A 1 28 ? 7.381 -0.475 3.308 1.00 0.00 ? 28 LYS A H 27 ATOM 37354 H HA . LYS A 1 28 ? 8.940 1.266 1.654 1.00 0.00 ? 28 LYS A HA 27 ATOM 37355 H HB2 . LYS A 1 28 ? 6.427 1.405 2.052 1.00 0.00 ? 28 LYS A HB2 27 ATOM 37356 H HB3 . LYS A 1 28 ? 6.817 2.099 3.619 1.00 0.00 ? 28 LYS A HB3 27 ATOM 37357 H HG2 . LYS A 1 28 ? 8.265 3.740 2.159 1.00 0.00 ? 28 LYS A HG2 27 ATOM 37358 H HG3 . LYS A 1 28 ? 7.127 3.254 0.901 1.00 0.00 ? 28 LYS A HG3 27 ATOM 37359 H HD2 . LYS A 1 28 ? 6.474 4.501 3.568 1.00 0.00 ? 28 LYS A HD2 27 ATOM 37360 H HD3 . LYS A 1 28 ? 6.293 5.237 1.974 1.00 0.00 ? 28 LYS A HD3 27 ATOM 37361 H HE2 . LYS A 1 28 ? 4.637 3.501 1.397 1.00 0.00 ? 28 LYS A HE2 27 ATOM 37362 H HE3 . LYS A 1 28 ? 4.785 2.847 3.027 1.00 0.00 ? 28 LYS A HE3 27 ATOM 37363 H HZ1 . LYS A 1 28 ? 4.137 5.168 3.786 1.00 0.00 ? 28 LYS A HZ1 27 ATOM 37364 H HZ2 . LYS A 1 28 ? 3.650 5.444 2.189 1.00 0.00 ? 28 LYS A HZ2 27 ATOM 37365 H HZ3 . LYS A 1 28 ? 2.919 4.219 3.096 1.00 0.00 ? 28 LYS A HZ3 27 ATOM 37366 N N . GLN A 1 29 ? 9.444 1.176 4.845 1.00 0.00 ? 29 GLN A N 27 ATOM 37367 C CA . GLN A 1 29 ? 10.304 1.642 5.923 1.00 0.00 ? 29 GLN A CA 27 ATOM 37368 C C . GLN A 1 29 ? 11.749 1.248 5.656 1.00 0.00 ? 29 GLN A C 27 ATOM 37369 O O . GLN A 1 29 ? 12.669 2.043 5.850 1.00 0.00 ? 29 GLN A O 27 ATOM 37370 C CB . GLN A 1 29 ? 9.841 1.065 7.263 1.00 0.00 ? 29 GLN A CB 27 ATOM 37371 C CG . GLN A 1 29 ? 10.749 1.426 8.427 1.00 0.00 ? 29 GLN A CG 27 ATOM 37372 C CD . GLN A 1 29 ? 10.530 0.536 9.634 1.00 0.00 ? 29 GLN A CD 27 ATOM 37373 O OE1 . GLN A 1 29 ? 9.503 -0.133 9.748 1.00 0.00 ? 29 GLN A OE1 27 ATOM 37374 N NE2 . GLN A 1 29 ? 11.497 0.525 10.544 1.00 0.00 ? 29 GLN A NE2 27 ATOM 37375 H H . GLN A 1 29 ? 8.876 0.393 4.992 1.00 0.00 ? 29 GLN A H 27 ATOM 37376 H HA . GLN A 1 29 ? 10.237 2.719 5.960 1.00 0.00 ? 29 GLN A HA 27 ATOM 37377 H HB2 . GLN A 1 29 ? 8.850 1.437 7.478 1.00 0.00 ? 29 GLN A HB2 27 ATOM 37378 H HB3 . GLN A 1 29 ? 9.804 -0.012 7.184 1.00 0.00 ? 29 GLN A HB3 27 ATOM 37379 H HG2 . GLN A 1 29 ? 11.777 1.329 8.109 1.00 0.00 ? 29 GLN A HG2 27 ATOM 37380 H HG3 . GLN A 1 29 ? 10.557 2.450 8.712 1.00 0.00 ? 29 GLN A HG3 27 ATOM 37381 H HE21 . GLN A 1 29 ? 12.286 1.084 10.388 1.00 0.00 ? 29 GLN A HE21 27 ATOM 37382 H HE22 . GLN A 1 29 ? 11.381 -0.042 11.335 1.00 0.00 ? 29 GLN A HE22 27 ATOM 37383 N N . SER A 1 30 ? 11.942 0.014 5.203 1.00 0.00 ? 30 SER A N 27 ATOM 37384 C CA . SER A 1 30 ? 13.279 -0.485 4.903 1.00 0.00 ? 30 SER A CA 27 ATOM 37385 C C . SER A 1 30 ? 13.887 0.265 3.719 1.00 0.00 ? 30 SER A C 27 ATOM 37386 O O . SER A 1 30 ? 15.059 0.647 3.747 1.00 0.00 ? 30 SER A O 27 ATOM 37387 C CB . SER A 1 30 ? 13.232 -1.984 4.601 1.00 0.00 ? 30 SER A CB 27 ATOM 37388 O OG . SER A 1 30 ? 12.953 -2.732 5.773 1.00 0.00 ? 30 SER A OG 27 ATOM 37389 H H . SER A 1 30 ? 11.167 -0.575 5.065 1.00 0.00 ? 30 SER A H 27 ATOM 37390 H HA . SER A 1 30 ? 13.897 -0.321 5.772 1.00 0.00 ? 30 SER A HA 27 ATOM 37391 H HB2 . SER A 1 30 ? 12.458 -2.179 3.873 1.00 0.00 ? 30 SER A HB2 27 ATOM 37392 H HB3 . SER A 1 30 ? 14.186 -2.300 4.205 1.00 0.00 ? 30 SER A HB3 27 ATOM 37393 H HG . SER A 1 30 ? 13.043 -3.669 5.583 1.00 0.00 ? 30 SER A HG 27 ATOM 37394 N N . ILE A 1 31 ? 13.083 0.473 2.679 1.00 0.00 ? 31 ILE A N 27 ATOM 37395 C CA . ILE A 1 31 ? 13.542 1.174 1.487 1.00 0.00 ? 31 ILE A CA 27 ATOM 37396 C C . ILE A 1 31 ? 13.761 2.655 1.770 1.00 0.00 ? 31 ILE A C 27 ATOM 37397 O O . ILE A 1 31 ? 14.653 3.282 1.195 1.00 0.00 ? 31 ILE A O 27 ATOM 37398 C CB . ILE A 1 31 ? 12.536 1.008 0.331 1.00 0.00 ? 31 ILE A CB 27 ATOM 37399 C CG1 . ILE A 1 31 ? 12.977 1.784 -0.907 1.00 0.00 ? 31 ILE A CG1 27 ATOM 37400 C CG2 . ILE A 1 31 ? 11.155 1.460 0.763 1.00 0.00 ? 31 ILE A CG2 27 ATOM 37401 C CD1 . ILE A 1 31 ? 14.074 1.099 -1.680 1.00 0.00 ? 31 ILE A CD1 27 ATOM 37402 H H . ILE A 1 31 ? 12.155 0.146 2.715 1.00 0.00 ? 31 ILE A H 27 ATOM 37403 H HA . ILE A 1 31 ? 14.482 0.735 1.185 1.00 0.00 ? 31 ILE A HA 27 ATOM 37404 H HB . ILE A 1 31 ? 12.484 -0.043 0.085 1.00 0.00 ? 31 ILE A HB 27 ATOM 37405 H HG12 . ILE A 1 31 ? 12.131 1.899 -1.569 1.00 0.00 ? 31 ILE A HG12 27 ATOM 37406 H HG13 . ILE A 1 31 ? 13.335 2.759 -0.612 1.00 0.00 ? 31 ILE A HG13 27 ATOM 37407 H HG21 . ILE A 1 31 ? 11.168 1.702 1.815 1.00 0.00 ? 31 ILE A HG21 27 ATOM 37408 H HG22 . ILE A 1 31 ? 10.869 2.333 0.197 1.00 0.00 ? 31 ILE A HG22 27 ATOM 37409 H HG23 . ILE A 1 31 ? 10.445 0.667 0.585 1.00 0.00 ? 31 ILE A HG23 27 ATOM 37410 H HD11 . ILE A 1 31 ? 14.878 0.838 -1.009 1.00 0.00 ? 31 ILE A HD11 27 ATOM 37411 H HD12 . ILE A 1 31 ? 13.681 0.203 -2.137 1.00 0.00 ? 31 ILE A HD12 27 ATOM 37412 H HD13 . ILE A 1 31 ? 14.444 1.762 -2.446 1.00 0.00 ? 31 ILE A HD13 27 ATOM 37413 N N . LYS A 1 32 ? 12.954 3.210 2.666 1.00 0.00 ? 32 LYS A N 27 ATOM 37414 C CA . LYS A 1 32 ? 13.074 4.616 3.030 1.00 0.00 ? 32 LYS A CA 27 ATOM 37415 C C . LYS A 1 32 ? 14.260 4.835 3.966 1.00 0.00 ? 32 LYS A C 27 ATOM 37416 O O . LYS A 1 32 ? 14.748 5.955 4.110 1.00 0.00 ? 32 LYS A O 27 ATOM 37417 C CB . LYS A 1 32 ? 11.787 5.107 3.697 1.00 0.00 ? 32 LYS A CB 27 ATOM 37418 C CG . LYS A 1 32 ? 10.725 5.559 2.709 1.00 0.00 ? 32 LYS A CG 27 ATOM 37419 C CD . LYS A 1 32 ? 10.153 6.915 3.090 1.00 0.00 ? 32 LYS A CD 27 ATOM 37420 C CE . LYS A 1 32 ? 8.832 6.775 3.829 1.00 0.00 ? 32 LYS A CE 27 ATOM 37421 N NZ . LYS A 1 32 ? 9.034 6.469 5.272 1.00 0.00 ? 32 LYS A NZ 27 ATOM 37422 H H . LYS A 1 32 ? 12.268 2.660 3.099 1.00 0.00 ? 32 LYS A H 27 ATOM 37423 H HA . LYS A 1 32 ? 13.238 5.179 2.123 1.00 0.00 ? 32 LYS A HA 27 ATOM 37424 H HB2 . LYS A 1 32 ? 11.377 4.306 4.293 1.00 0.00 ? 32 LYS A HB2 27 ATOM 37425 H HB3 . LYS A 1 32 ? 12.026 5.939 4.342 1.00 0.00 ? 32 LYS A HB3 27 ATOM 37426 H HG2 . LYS A 1 32 ? 11.166 5.630 1.726 1.00 0.00 ? 32 LYS A HG2 27 ATOM 37427 H HG3 . LYS A 1 32 ? 9.926 4.833 2.696 1.00 0.00 ? 32 LYS A HG3 27 ATOM 37428 H HD2 . LYS A 1 32 ? 10.858 7.427 3.727 1.00 0.00 ? 32 LYS A HD2 27 ATOM 37429 H HD3 . LYS A 1 32 ? 9.993 7.493 2.190 1.00 0.00 ? 32 LYS A HD3 27 ATOM 37430 H HE2 . LYS A 1 32 ? 8.284 7.701 3.739 1.00 0.00 ? 32 LYS A HE2 27 ATOM 37431 H HE3 . LYS A 1 32 ? 8.264 5.976 3.376 1.00 0.00 ? 32 LYS A HE3 27 ATOM 37432 H HZ1 . LYS A 1 32 ? 9.760 7.097 5.672 1.00 0.00 ? 32 LYS A HZ1 27 ATOM 37433 H HZ2 . LYS A 1 32 ? 8.145 6.610 5.795 1.00 0.00 ? 32 LYS A HZ2 27 ATOM 37434 H HZ3 . LYS A 1 32 ? 9.338 5.482 5.390 1.00 0.00 ? 32 LYS A HZ3 27 ATOM 37435 N N . LYS A 1 33 ? 14.718 3.760 4.605 1.00 0.00 ? 33 LYS A N 27 ATOM 37436 C CA . LYS A 1 33 ? 15.842 3.841 5.529 1.00 0.00 ? 33 LYS A CA 27 ATOM 37437 C C . LYS A 1 33 ? 17.172 3.860 4.782 1.00 0.00 ? 33 LYS A C 27 ATOM 37438 O O . LYS A 1 33 ? 18.082 4.608 5.141 1.00 0.00 ? 33 LYS A O 27 ATOM 37439 C CB . LYS A 1 33 ? 15.810 2.667 6.508 1.00 0.00 ? 33 LYS A CB 27 ATOM 37440 C CG . LYS A 1 33 ? 16.942 2.691 7.523 1.00 0.00 ? 33 LYS A CG 27 ATOM 37441 C CD . LYS A 1 33 ? 17.883 1.512 7.335 1.00 0.00 ? 33 LYS A CD 27 ATOM 37442 C CE . LYS A 1 33 ? 18.616 1.175 8.623 1.00 0.00 ? 33 LYS A CE 27 ATOM 37443 N NZ . LYS A 1 33 ? 20.092 1.295 8.471 1.00 0.00 ? 33 LYS A NZ 27 ATOM 37444 H H . LYS A 1 33 ? 14.289 2.892 4.456 1.00 0.00 ? 33 LYS A H 27 ATOM 37445 H HA . LYS A 1 33 ? 15.746 4.762 6.083 1.00 0.00 ? 33 LYS A HA 27 ATOM 37446 H HB2 . LYS A 1 33 ? 14.874 2.687 7.045 1.00 0.00 ? 33 LYS A HB2 27 ATOM 37447 H HB3 . LYS A 1 33 ? 15.876 1.745 5.949 1.00 0.00 ? 33 LYS A HB3 27 ATOM 37448 H HG2 . LYS A 1 33 ? 17.500 3.607 7.403 1.00 0.00 ? 33 LYS A HG2 27 ATOM 37449 H HG3 . LYS A 1 33 ? 16.522 2.651 8.517 1.00 0.00 ? 33 LYS A HG3 27 ATOM 37450 H HD2 . LYS A 1 33 ? 17.310 0.652 7.023 1.00 0.00 ? 33 LYS A HD2 27 ATOM 37451 H HD3 . LYS A 1 33 ? 18.608 1.761 6.573 1.00 0.00 ? 33 LYS A HD3 27 ATOM 37452 H HE2 . LYS A 1 33 ? 18.287 1.851 9.398 1.00 0.00 ? 33 LYS A HE2 27 ATOM 37453 H HE3 . LYS A 1 33 ? 18.374 0.160 8.905 1.00 0.00 ? 33 LYS A HE3 27 ATOM 37454 H HZ1 . LYS A 1 33 ? 20.319 1.905 7.659 1.00 0.00 ? 33 LYS A HZ1 27 ATOM 37455 H HZ2 . LYS A 1 33 ? 20.508 1.711 9.330 1.00 0.00 ? 33 LYS A HZ2 27 ATOM 37456 H HZ3 . LYS A 1 33 ? 20.513 0.358 8.314 1.00 0.00 ? 33 LYS A HZ3 27 ATOM 37457 N N . LEU A 1 34 ? 17.287 3.039 3.741 1.00 0.00 ? 34 LEU A N 27 ATOM 37458 C CA . LEU A 1 34 ? 18.515 2.981 2.961 1.00 0.00 ? 34 LEU A CA 27 ATOM 37459 C C . LEU A 1 34 ? 18.575 4.133 1.963 1.00 0.00 ? 34 LEU A C 27 ATOM 37460 O O . LEU A 1 34 ? 19.655 4.546 1.541 1.00 0.00 ? 34 LEU A O 27 ATOM 37461 C CB . LEU A 1 34 ? 18.620 1.642 2.232 1.00 0.00 ? 34 LEU A CB 27 ATOM 37462 C CG . LEU A 1 34 ? 19.083 0.469 3.097 1.00 0.00 ? 34 LEU A CG 27 ATOM 37463 C CD1 . LEU A 1 34 ? 18.586 -0.847 2.519 1.00 0.00 ? 34 LEU A CD1 27 ATOM 37464 C CD2 . LEU A 1 34 ? 20.599 0.462 3.217 1.00 0.00 ? 34 LEU A CD2 27 ATOM 37465 H H . LEU A 1 34 ? 16.530 2.462 3.489 1.00 0.00 ? 34 LEU A H 27 ATOM 37466 H HA . LEU A 1 34 ? 19.344 3.074 3.646 1.00 0.00 ? 34 LEU A HA 27 ATOM 37467 H HB2 . LEU A 1 34 ? 17.649 1.401 1.824 1.00 0.00 ? 34 LEU A HB2 27 ATOM 37468 H HB3 . LEU A 1 34 ? 19.316 1.755 1.415 1.00 0.00 ? 34 LEU A HB3 27 ATOM 37469 H HG . LEU A 1 34 ? 18.667 0.576 4.088 1.00 0.00 ? 34 LEU A HG 27 ATOM 37470 H HD11 . LEU A 1 34 ? 17.520 -0.790 2.356 1.00 0.00 ? 34 LEU A HD11 27 ATOM 37471 H HD12 . LEU A 1 34 ? 19.085 -1.039 1.581 1.00 0.00 ? 34 LEU A HD12 27 ATOM 37472 H HD13 . LEU A 1 34 ? 18.801 -1.648 3.210 1.00 0.00 ? 34 LEU A HD13 27 ATOM 37473 H HD21 . LEU A 1 34 ? 21.030 0.974 2.369 1.00 0.00 ? 34 LEU A HD21 27 ATOM 37474 H HD22 . LEU A 1 34 ? 20.890 0.966 4.127 1.00 0.00 ? 34 LEU A HD22 27 ATOM 37475 H HD23 . LEU A 1 34 ? 20.954 -0.558 3.241 1.00 0.00 ? 34 LEU A HD23 27 ATOM 37476 N N . LYS A 1 35 ? 17.406 4.654 1.598 1.00 0.00 ? 35 LYS A N 27 ATOM 37477 C CA . LYS A 1 35 ? 17.328 5.764 0.658 1.00 0.00 ? 35 LYS A CA 27 ATOM 37478 C C . LYS A 1 35 ? 17.482 7.095 1.387 1.00 0.00 ? 35 LYS A C 27 ATOM 37479 O O . LYS A 1 35 ? 17.927 8.085 0.806 1.00 0.00 ? 35 LYS A O 27 ATOM 37480 C CB . LYS A 1 35 ? 15.998 5.732 -0.097 1.00 0.00 ? 35 LYS A CB 27 ATOM 37481 C CG . LYS A 1 35 ? 15.826 6.881 -1.076 1.00 0.00 ? 35 LYS A CG 27 ATOM 37482 C CD . LYS A 1 35 ? 14.402 7.413 -1.066 1.00 0.00 ? 35 LYS A CD 27 ATOM 37483 C CE . LYS A 1 35 ? 13.432 6.420 -1.683 1.00 0.00 ? 35 LYS A CE 27 ATOM 37484 N NZ . LYS A 1 35 ? 12.014 6.819 -1.465 1.00 0.00 ? 35 LYS A NZ 27 ATOM 37485 H H . LYS A 1 35 ? 16.579 4.286 1.971 1.00 0.00 ? 35 LYS A H 27 ATOM 37486 H HA . LYS A 1 35 ? 18.139 5.659 -0.048 1.00 0.00 ? 35 LYS A HA 27 ATOM 37487 H HB2 . LYS A 1 35 ? 15.932 4.805 -0.647 1.00 0.00 ? 35 LYS A HB2 27 ATOM 37488 H HB3 . LYS A 1 35 ? 15.191 5.773 0.619 1.00 0.00 ? 35 LYS A HB3 27 ATOM 37489 H HG2 . LYS A 1 35 ? 16.500 7.679 -0.803 1.00 0.00 ? 35 LYS A HG2 27 ATOM 37490 H HG3 . LYS A 1 35 ? 16.064 6.532 -2.071 1.00 0.00 ? 35 LYS A HG3 27 ATOM 37491 H HD2 . LYS A 1 35 ? 14.106 7.603 -0.045 1.00 0.00 ? 35 LYS A HD2 27 ATOM 37492 H HD3 . LYS A 1 35 ? 14.369 8.335 -1.630 1.00 0.00 ? 35 LYS A HD3 27 ATOM 37493 H HE2 . LYS A 1 35 ? 13.620 6.365 -2.745 1.00 0.00 ? 35 LYS A HE2 27 ATOM 37494 H HE3 . LYS A 1 35 ? 13.597 5.450 -1.238 1.00 0.00 ? 35 LYS A HE3 27 ATOM 37495 H HZ1 . LYS A 1 35 ? 11.839 7.757 -1.879 1.00 0.00 ? 35 LYS A HZ1 27 ATOM 37496 H HZ2 . LYS A 1 35 ? 11.375 6.130 -1.912 1.00 0.00 ? 35 LYS A HZ2 27 ATOM 37497 H HZ3 . LYS A 1 35 ? 11.806 6.858 -0.447 1.00 0.00 ? 35 LYS A HZ3 27 ATOM 37498 N N . GLN A 1 36 ? 17.117 7.108 2.666 1.00 0.00 ? 36 GLN A N 27 ATOM 37499 C CA . GLN A 1 36 ? 17.221 8.315 3.476 1.00 0.00 ? 36 GLN A CA 27 ATOM 37500 C C . GLN A 1 36 ? 18.644 8.498 3.990 1.00 0.00 ? 36 GLN A C 27 ATOM 37501 O O . GLN A 1 36 ? 19.123 9.622 4.138 1.00 0.00 ? 36 GLN A O 27 ATOM 37502 C CB . GLN A 1 36 ? 16.244 8.254 4.653 1.00 0.00 ? 36 GLN A CB 27 ATOM 37503 C CG . GLN A 1 36 ? 14.818 8.626 4.282 1.00 0.00 ? 36 GLN A CG 27 ATOM 37504 C CD . GLN A 1 36 ? 13.841 8.397 5.418 1.00 0.00 ? 36 GLN A CD 27 ATOM 37505 O OE1 . GLN A 1 36 ? 13.238 7.329 5.528 1.00 0.00 ? 36 GLN A OE1 27 ATOM 37506 N NE2 . GLN A 1 36 ? 13.679 9.402 6.270 1.00 0.00 ? 36 GLN A NE2 27 ATOM 37507 H H . GLN A 1 36 ? 16.773 6.285 3.076 1.00 0.00 ? 36 GLN A H 27 ATOM 37508 H HA . GLN A 1 36 ? 16.965 9.158 2.851 1.00 0.00 ? 36 GLN A HA 27 ATOM 37509 H HB2 . GLN A 1 36 ? 16.240 7.250 5.050 1.00 0.00 ? 36 GLN A HB2 27 ATOM 37510 H HB3 . GLN A 1 36 ? 16.581 8.934 5.421 1.00 0.00 ? 36 GLN A HB3 27 ATOM 37511 H HG2 . GLN A 1 36 ? 14.792 9.670 4.008 1.00 0.00 ? 36 GLN A HG2 27 ATOM 37512 H HG3 . GLN A 1 36 ? 14.513 8.026 3.436 1.00 0.00 ? 36 GLN A HG3 27 ATOM 37513 H HE21 . GLN A 1 36 ? 14.191 10.223 6.120 1.00 0.00 ? 36 GLN A HE21 27 ATOM 37514 H HE22 . GLN A 1 36 ? 13.054 9.281 7.014 1.00 0.00 ? 36 GLN A HE22 27 ATOM 37515 N N . SER A 1 37 ? 19.316 7.383 4.258 1.00 0.00 ? 37 SER A N 27 ATOM 37516 C CA . SER A 1 37 ? 20.687 7.417 4.753 1.00 0.00 ? 37 SER A CA 27 ATOM 37517 C C . SER A 1 37 ? 21.658 7.770 3.631 1.00 0.00 ? 37 SER A C 27 ATOM 37518 O O . SER A 1 37 ? 22.741 8.301 3.879 1.00 0.00 ? 37 SER A O 27 ATOM 37519 C CB . SER A 1 37 ? 21.065 6.067 5.365 1.00 0.00 ? 37 SER A CB 27 ATOM 37520 O OG . SER A 1 37 ? 20.359 5.839 6.573 1.00 0.00 ? 37 SER A OG 27 ATOM 37521 H H . SER A 1 37 ? 18.880 6.515 4.118 1.00 0.00 ? 37 SER A H 27 ATOM 37522 H HA . SER A 1 37 ? 20.745 8.178 5.517 1.00 0.00 ? 37 SER A HA 27 ATOM 37523 H HB2 . SER A 1 37 ? 20.824 5.278 4.668 1.00 0.00 ? 37 SER A HB2 27 ATOM 37524 H HB3 . SER A 1 37 ? 22.124 6.052 5.573 1.00 0.00 ? 37 SER A HB3 27 ATOM 37525 H HG . SER A 1 37 ? 20.461 4.921 6.835 1.00 0.00 ? 37 SER A HG 27 ATOM 37526 N N . GLU A 1 38 ? 21.264 7.471 2.397 1.00 0.00 ? 38 GLU A N 27 ATOM 37527 C CA . GLU A 1 38 ? 22.100 7.759 1.237 1.00 0.00 ? 38 GLU A CA 27 ATOM 37528 C C . GLU A 1 38 ? 22.055 9.244 0.890 1.00 0.00 ? 38 GLU A C 27 ATOM 37529 O O . GLU A 1 38 ? 23.001 9.787 0.319 1.00 0.00 ? 38 GLU A O 27 ATOM 37530 C CB . GLU A 1 38 ? 21.646 6.928 0.037 1.00 0.00 ? 38 GLU A CB 27 ATOM 37531 C CG . GLU A 1 38 ? 22.438 7.206 -1.231 1.00 0.00 ? 38 GLU A CG 27 ATOM 37532 C CD . GLU A 1 38 ? 21.612 7.015 -2.488 1.00 0.00 ? 38 GLU A CD 27 ATOM 37533 O OE1 . GLU A 1 38 ? 20.734 6.127 -2.491 1.00 0.00 ? 38 GLU A OE1 27 ATOM 37534 O OE2 . GLU A 1 38 ? 21.845 7.751 -3.469 1.00 0.00 ? 38 GLU A OE2 27 ATOM 37535 H H . GLU A 1 38 ? 20.389 7.049 2.262 1.00 0.00 ? 38 GLU A H 27 ATOM 37536 H HA . GLU A 1 38 ? 23.116 7.490 1.487 1.00 0.00 ? 38 GLU A HA 27 ATOM 37537 H HB2 . GLU A 1 38 ? 21.751 5.881 0.278 1.00 0.00 ? 38 GLU A HB2 27 ATOM 37538 H HB3 . GLU A 1 38 ? 20.606 7.140 -0.161 1.00 0.00 ? 38 GLU A HB3 27 ATOM 37539 H HG2 . GLU A 1 38 ? 22.791 8.227 -1.203 1.00 0.00 ? 38 GLU A HG2 27 ATOM 37540 H HG3 . GLU A 1 38 ? 23.284 6.535 -1.267 1.00 0.00 ? 38 GLU A HG3 27 ATOM 37541 N N . ASP A 1 39 ? 20.949 9.894 1.238 1.00 0.00 ? 39 ASP A N 27 ATOM 37542 C CA . ASP A 1 39 ? 20.781 11.316 0.963 1.00 0.00 ? 39 ASP A CA 27 ATOM 37543 C C . ASP A 1 39 ? 20.317 12.060 2.211 1.00 0.00 ? 39 ASP A C 27 ATOM 37544 O O . ASP A 1 39 ? 19.656 13.095 2.120 1.00 0.00 ? 39 ASP A O 27 ATOM 37545 C CB . ASP A 1 39 ? 19.776 11.522 -0.171 1.00 0.00 ? 39 ASP A CB 27 ATOM 37546 C CG . ASP A 1 39 ? 20.150 12.681 -1.072 1.00 0.00 ? 39 ASP A CG 27 ATOM 37547 O OD1 . ASP A 1 39 ? 21.062 13.450 -0.704 1.00 0.00 ? 39 ASP A OD1 27 ATOM 37548 O OD2 . ASP A 1 39 ? 19.530 12.822 -2.148 1.00 0.00 ? 39 ASP A OD2 27 ATOM 37549 H H . ASP A 1 39 ? 20.231 9.406 1.691 1.00 0.00 ? 39 ASP A H 27 ATOM 37550 H HA . ASP A 1 39 ? 21.739 11.711 0.659 1.00 0.00 ? 39 ASP A HA 27 ATOM 37551 H HB2 . ASP A 1 39 ? 19.729 10.625 -0.771 1.00 0.00 ? 39 ASP A HB2 27 ATOM 37552 H HB3 . ASP A 1 39 ? 18.801 11.717 0.251 1.00 0.00 ? 39 ASP A HB3 27 ATOM 37553 N N . ASP A 1 40 ? 20.665 11.526 3.376 1.00 0.00 ? 40 ASP A N 27 ATOM 37554 C CA . ASP A 1 40 ? 20.284 12.139 4.643 1.00 0.00 ? 40 ASP A CA 27 ATOM 37555 C C . ASP A 1 40 ? 20.828 13.561 4.746 1.00 0.00 ? 40 ASP A C 27 ATOM 37556 O O . ASP A 1 40 ? 21.872 13.879 4.176 1.00 0.00 ? 40 ASP A O 27 ATOM 37557 C CB . ASP A 1 40 ? 20.796 11.300 5.815 1.00 0.00 ? 40 ASP A CB 27 ATOM 37558 C CG . ASP A 1 40 ? 19.842 11.310 6.994 1.00 0.00 ? 40 ASP A CG 27 ATOM 37559 O OD1 . ASP A 1 40 ? 19.145 12.329 7.185 1.00 0.00 ? 40 ASP A OD1 27 ATOM 37560 O OD2 . ASP A 1 40 ? 19.793 10.299 7.727 1.00 0.00 ? 40 ASP A OD2 27 ATOM 37561 H H . ASP A 1 40 ? 21.192 10.700 3.385 1.00 0.00 ? 40 ASP A H 27 ATOM 37562 H HA . ASP A 1 40 ? 19.206 12.176 4.683 1.00 0.00 ? 40 ASP A HA 27 ATOM 37563 H HB2 . ASP A 1 40 ? 20.924 10.279 5.489 1.00 0.00 ? 40 ASP A HB2 27 ATOM 37564 H HB3 . ASP A 1 40 ? 21.748 11.692 6.142 1.00 0.00 ? 40 ASP A HB3 27 ATOM 37565 N N . ASP A 1 41 ? 20.113 14.412 5.474 1.00 0.00 ? 41 ASP A N 27 ATOM 37566 C CA . ASP A 1 41 ? 20.524 15.799 5.651 1.00 0.00 ? 41 ASP A CA 27 ATOM 37567 C C . ASP A 1 41 ? 19.805 16.432 6.839 1.00 0.00 ? 41 ASP A C 27 ATOM 37568 O O . ASP A 1 41 ? 20.460 17.178 7.596 1.00 0.00 ? 41 ASP A O 27 ATOM 37569 C CB . ASP A 1 41 ? 20.240 16.603 4.380 1.00 0.00 ? 41 ASP A CB 27 ATOM 37570 C CG . ASP A 1 41 ? 21.510 17.079 3.703 1.00 0.00 ? 41 ASP A CG 27 ATOM 37571 O OD1 . ASP A 1 41 ? 22.548 17.181 4.391 1.00 0.00 ? 41 ASP A OD1 27 ATOM 37572 O OD2 . ASP A 1 41 ? 21.467 17.351 2.484 1.00 0.00 ? 41 ASP A OD2 27 ATOM 37573 O OXT . ASP A 1 41 ? 18.594 16.178 7.000 1.00 0.00 ? 41 ASP A OXT 27 ATOM 37574 H H . ASP A 1 41 ? 19.289 14.099 5.904 1.00 0.00 ? 41 ASP A H 27 ATOM 37575 H HA . ASP A 1 41 ? 21.586 15.809 5.843 1.00 0.00 ? 41 ASP A HA 27 ATOM 37576 H HB2 . ASP A 1 41 ? 19.694 15.983 3.685 1.00 0.00 ? 41 ASP A HB2 27 ATOM 37577 H HB3 . ASP A 1 41 ? 19.643 17.466 4.634 1.00 0.00 ? 41 ASP A HB3 27 ATOM 37578 N N . ALA B 1 1 ? 27.751 9.511 -9.812 1.00 0.00 ? 1 ALA B N 27 ATOM 37579 C CA . ALA B 1 1 ? 27.737 8.141 -9.237 1.00 0.00 ? 1 ALA B CA 27 ATOM 37580 C C . ALA B 1 1 ? 28.226 8.149 -7.792 1.00 0.00 ? 1 ALA B C 27 ATOM 37581 O O . ALA B 1 1 ? 28.895 9.087 -7.358 1.00 0.00 ? 1 ALA B O 27 ATOM 37582 C CB . ALA B 1 1 ? 28.595 7.208 -10.078 1.00 0.00 ? 1 ALA B CB 27 ATOM 37583 H H1 . ALA B 1 1 ? 28.708 9.897 -9.689 1.00 0.00 ? 1 ALA B H1 27 ATOM 37584 H H2 . ALA B 1 1 ? 27.503 9.433 -10.819 1.00 0.00 ? 1 ALA B H2 27 ATOM 37585 H H3 . ALA B 1 1 ? 27.051 10.079 -9.295 1.00 0.00 ? 1 ALA B H3 27 ATOM 37586 H HA . ALA B 1 1 ? 26.721 7.773 -9.258 1.00 0.00 ? 1 ALA B HA 27 ATOM 37587 H HB1 . ALA B 1 1 ? 29.282 7.789 -10.674 1.00 0.00 ? 1 ALA B HB1 27 ATOM 37588 H HB2 . ALA B 1 1 ? 29.151 6.547 -9.430 1.00 0.00 ? 1 ALA B HB2 27 ATOM 37589 H HB3 . ALA B 1 1 ? 27.959 6.623 -10.728 1.00 0.00 ? 1 ALA B HB3 27 ATOM 37590 N N . LEU B 1 2 ? 27.887 7.098 -7.052 1.00 0.00 ? 2 LEU B N 27 ATOM 37591 C CA . LEU B 1 2 ? 28.291 6.985 -5.656 1.00 0.00 ? 2 LEU B CA 27 ATOM 37592 C C . LEU B 1 2 ? 27.812 5.666 -5.056 1.00 0.00 ? 2 LEU B C 27 ATOM 37593 O O . LEU B 1 2 ? 26.703 5.579 -4.529 1.00 0.00 ? 2 LEU B O 27 ATOM 37594 C CB . LEU B 1 2 ? 27.735 8.158 -4.845 1.00 0.00 ? 2 LEU B CB 27 ATOM 37595 C CG . LEU B 1 2 ? 28.339 8.324 -3.449 1.00 0.00 ? 2 LEU B CG 27 ATOM 37596 C CD1 . LEU B 1 2 ? 29.549 9.242 -3.496 1.00 0.00 ? 2 LEU B CD1 27 ATOM 37597 C CD2 . LEU B 1 2 ? 27.296 8.862 -2.481 1.00 0.00 ? 2 LEU B CD2 27 ATOM 37598 H H . LEU B 1 2 ? 27.351 6.383 -7.455 1.00 0.00 ? 2 LEU B H 27 ATOM 37599 H HA . LEU B 1 2 ? 29.369 7.012 -5.620 1.00 0.00 ? 2 LEU B HA 27 ATOM 37600 H HB2 . LEU B 1 2 ? 27.912 9.067 -5.401 1.00 0.00 ? 2 LEU B HB2 27 ATOM 37601 H HB3 . LEU B 1 2 ? 26.670 8.023 -4.739 1.00 0.00 ? 2 LEU B HB3 27 ATOM 37602 H HG . LEU B 1 2 ? 28.665 7.359 -3.088 1.00 0.00 ? 2 LEU B HG 27 ATOM 37603 H HD11 . LEU B 1 2 ? 30.065 9.110 -4.436 1.00 0.00 ? 2 LEU B HD11 27 ATOM 37604 H HD12 . LEU B 1 2 ? 29.226 10.269 -3.405 1.00 0.00 ? 2 LEU B HD12 27 ATOM 37605 H HD13 . LEU B 1 2 ? 30.216 9.001 -2.683 1.00 0.00 ? 2 LEU B HD13 27 ATOM 37606 H HD21 . LEU B 1 2 ? 26.386 9.085 -3.018 1.00 0.00 ? 2 LEU B HD21 27 ATOM 37607 H HD22 . LEU B 1 2 ? 27.092 8.121 -1.723 1.00 0.00 ? 2 LEU B HD22 27 ATOM 37608 H HD23 . LEU B 1 2 ? 27.668 9.761 -2.014 1.00 0.00 ? 2 LEU B HD23 27 ATOM 37609 N N . LYS B 1 3 ? 28.656 4.643 -5.140 1.00 0.00 ? 3 LYS B N 27 ATOM 37610 C CA . LYS B 1 3 ? 28.318 3.329 -4.605 1.00 0.00 ? 3 LYS B CA 27 ATOM 37611 C C . LYS B 1 3 ? 27.071 2.770 -5.284 1.00 0.00 ? 3 LYS B C 27 ATOM 37612 O O . LYS B 1 3 ? 25.991 3.354 -5.197 1.00 0.00 ? 3 LYS B O 27 ATOM 37613 C CB . LYS B 1 3 ? 28.095 3.412 -3.094 1.00 0.00 ? 3 LYS B CB 27 ATOM 37614 C CG . LYS B 1 3 ? 29.372 3.278 -2.281 1.00 0.00 ? 3 LYS B CG 27 ATOM 37615 C CD . LYS B 1 3 ? 30.211 4.544 -2.350 1.00 0.00 ? 3 LYS B CD 27 ATOM 37616 C CE . LYS B 1 3 ? 29.835 5.521 -1.249 1.00 0.00 ? 3 LYS B CE 27 ATOM 37617 N NZ . LYS B 1 3 ? 30.460 6.858 -1.454 1.00 0.00 ? 3 LYS B NZ 27 ATOM 37618 H H . LYS B 1 3 ? 29.526 4.774 -5.572 1.00 0.00 ? 3 LYS B H 27 ATOM 37619 H HA . LYS B 1 3 ? 29.147 2.667 -4.803 1.00 0.00 ? 3 LYS B HA 27 ATOM 37620 H HB2 . LYS B 1 3 ? 27.643 4.365 -2.860 1.00 0.00 ? 3 LYS B HB2 27 ATOM 37621 H HB3 . LYS B 1 3 ? 27.421 2.621 -2.798 1.00 0.00 ? 3 LYS B HB3 27 ATOM 37622 H HG2 . LYS B 1 3 ? 29.114 3.085 -1.252 1.00 0.00 ? 3 LYS B HG2 27 ATOM 37623 H HG3 . LYS B 1 3 ? 29.949 2.452 -2.671 1.00 0.00 ? 3 LYS B HG3 27 ATOM 37624 H HD2 . LYS B 1 3 ? 31.252 4.280 -2.243 1.00 0.00 ? 3 LYS B HD2 27 ATOM 37625 H HD3 . LYS B 1 3 ? 30.053 5.016 -3.309 1.00 0.00 ? 3 LYS B HD3 27 ATOM 37626 H HE2 . LYS B 1 3 ? 28.761 5.635 -1.237 1.00 0.00 ? 3 LYS B HE2 27 ATOM 37627 H HE3 . LYS B 1 3 ? 30.164 5.121 -0.301 1.00 0.00 ? 3 LYS B HE3 27 ATOM 37628 H HZ1 . LYS B 1 3 ? 30.631 7.020 -2.466 1.00 0.00 ? 3 LYS B HZ1 27 ATOM 37629 H HZ2 . LYS B 1 3 ? 29.833 7.605 -1.095 1.00 0.00 ? 3 LYS B HZ2 27 ATOM 37630 H HZ3 . LYS B 1 3 ? 31.368 6.908 -0.949 1.00 0.00 ? 3 LYS B HZ3 27 ATOM 37631 N N . LYS B 1 4 ? 27.227 1.636 -5.959 1.00 0.00 ? 4 LYS B N 27 ATOM 37632 C CA . LYS B 1 4 ? 26.111 1.000 -6.651 1.00 0.00 ? 4 LYS B CA 27 ATOM 37633 C C . LYS B 1 4 ? 25.703 -0.302 -5.966 1.00 0.00 ? 4 LYS B C 27 ATOM 37634 O O . LYS B 1 4 ? 25.035 -1.145 -6.567 1.00 0.00 ? 4 LYS B O 27 ATOM 37635 C CB . LYS B 1 4 ? 26.478 0.728 -8.111 1.00 0.00 ? 4 LYS B CB 27 ATOM 37636 C CG . LYS B 1 4 ? 26.096 1.857 -9.055 1.00 0.00 ? 4 LYS B CG 27 ATOM 37637 C CD . LYS B 1 4 ? 26.546 3.206 -8.521 1.00 0.00 ? 4 LYS B CD 27 ATOM 37638 C CE . LYS B 1 4 ? 25.974 4.349 -9.344 1.00 0.00 ? 4 LYS B CE 27 ATOM 37639 N NZ . LYS B 1 4 ? 24.807 4.987 -8.674 1.00 0.00 ? 4 LYS B NZ 27 ATOM 37640 H H . LYS B 1 4 ? 28.112 1.216 -5.993 1.00 0.00 ? 4 LYS B H 27 ATOM 37641 H HA . LYS B 1 4 ? 25.275 1.682 -6.623 1.00 0.00 ? 4 LYS B HA 27 ATOM 37642 H HB2 . LYS B 1 4 ? 27.544 0.574 -8.179 1.00 0.00 ? 4 LYS B HB2 27 ATOM 37643 H HB3 . LYS B 1 4 ? 25.972 -0.170 -8.433 1.00 0.00 ? 4 LYS B HB3 27 ATOM 37644 H HG2 . LYS B 1 4 ? 26.564 1.685 -10.013 1.00 0.00 ? 4 LYS B HG2 27 ATOM 37645 H HG3 . LYS B 1 4 ? 25.022 1.866 -9.174 1.00 0.00 ? 4 LYS B HG3 27 ATOM 37646 H HD2 . LYS B 1 4 ? 26.211 3.309 -7.500 1.00 0.00 ? 4 LYS B HD2 27 ATOM 37647 H HD3 . LYS B 1 4 ? 27.625 3.254 -8.555 1.00 0.00 ? 4 LYS B HD3 27 ATOM 37648 H HE2 . LYS B 1 4 ? 26.745 5.092 -9.488 1.00 0.00 ? 4 LYS B HE2 27 ATOM 37649 H HE3 . LYS B 1 4 ? 25.663 3.965 -10.304 1.00 0.00 ? 4 LYS B HE3 27 ATOM 37650 H HZ1 . LYS B 1 4 ? 24.386 4.329 -7.988 1.00 0.00 ? 4 LYS B HZ1 27 ATOM 37651 H HZ2 . LYS B 1 4 ? 25.108 5.847 -8.174 1.00 0.00 ? 4 LYS B HZ2 27 ATOM 37652 H HZ3 . LYS B 1 4 ? 24.087 5.242 -9.379 1.00 0.00 ? 4 LYS B HZ3 27 ATOM 37653 N N . HIS B 1 5 ? 26.101 -0.462 -4.707 1.00 0.00 ? 5 HIS B N 27 ATOM 37654 C CA . HIS B 1 5 ? 25.766 -1.661 -3.949 1.00 0.00 ? 5 HIS B CA 27 ATOM 37655 C C . HIS B 1 5 ? 24.473 -1.455 -3.171 1.00 0.00 ? 5 HIS B C 27 ATOM 37656 O O . HIS B 1 5 ? 23.480 -2.152 -3.393 1.00 0.00 ? 5 HIS B O 27 ATOM 37657 C CB . HIS B 1 5 ? 26.902 -2.021 -2.989 1.00 0.00 ? 5 HIS B CB 27 ATOM 37658 C CG . HIS B 1 5 ? 28.266 -1.758 -3.548 1.00 0.00 ? 5 HIS B CG 27 ATOM 37659 N ND1 . HIS B 1 5 ? 28.513 -1.626 -4.899 1.00 0.00 ? 5 HIS B ND1 27 ATOM 37660 C CD2 . HIS B 1 5 ? 29.462 -1.601 -2.932 1.00 0.00 ? 5 HIS B CD2 27 ATOM 37661 C CE1 . HIS B 1 5 ? 29.801 -1.400 -5.089 1.00 0.00 ? 5 HIS B CE1 27 ATOM 37662 N NE2 . HIS B 1 5 ? 30.398 -1.379 -3.912 1.00 0.00 ? 5 HIS B NE2 27 ATOM 37663 H H . HIS B 1 5 ? 26.627 0.242 -4.275 1.00 0.00 ? 5 HIS B H 27 ATOM 37664 H HA . HIS B 1 5 ? 25.627 -2.471 -4.650 1.00 0.00 ? 5 HIS B HA 27 ATOM 37665 H HB2 . HIS B 1 5 ? 26.798 -1.439 -2.085 1.00 0.00 ? 5 HIS B HB2 27 ATOM 37666 H HB3 . HIS B 1 5 ? 26.839 -3.072 -2.745 1.00 0.00 ? 5 HIS B HB3 27 ATOM 37667 H HD1 . HIS B 1 5 ? 27.844 -1.689 -5.612 1.00 0.00 ? 5 HIS B HD1 27 ATOM 37668 H HD2 . HIS B 1 5 ? 29.645 -1.641 -1.868 1.00 0.00 ? 5 HIS B HD2 27 ATOM 37669 H HE1 . HIS B 1 5 ? 30.284 -1.256 -6.045 1.00 0.00 ? 5 HIS B HE1 27 ATOM 37670 H HE2 . HIS B 1 5 ? 31.355 -1.230 -3.765 1.00 0.00 ? 5 HIS B HE2 27 ATOM 37671 N N . HIS B 1 6 ? 24.487 -0.484 -2.264 1.00 0.00 ? 6 HIS B N 27 ATOM 37672 C CA . HIS B 1 6 ? 23.313 -0.176 -1.458 1.00 0.00 ? 6 HIS B CA 27 ATOM 37673 C C . HIS B 1 6 ? 22.136 0.210 -2.348 1.00 0.00 ? 6 HIS B C 27 ATOM 37674 O O . HIS B 1 6 ? 20.980 0.093 -1.945 1.00 0.00 ? 6 HIS B O 27 ATOM 37675 C CB . HIS B 1 6 ? 23.622 0.957 -0.479 1.00 0.00 ? 6 HIS B CB 27 ATOM 37676 C CG . HIS B 1 6 ? 24.457 0.530 0.687 1.00 0.00 ? 6 HIS B CG 27 ATOM 37677 N ND1 . HIS B 1 6 ? 25.029 -0.721 0.788 1.00 0.00 ? 6 HIS B ND1 27 ATOM 37678 C CD2 . HIS B 1 6 ? 24.817 1.197 1.810 1.00 0.00 ? 6 HIS B CD2 27 ATOM 37679 C CE1 . HIS B 1 6 ? 25.703 -0.806 1.920 1.00 0.00 ? 6 HIS B CE1 27 ATOM 37680 N NE2 . HIS B 1 6 ? 25.591 0.344 2.558 1.00 0.00 ? 6 HIS B NE2 27 ATOM 37681 H H . HIS B 1 6 ? 25.305 0.041 -2.138 1.00 0.00 ? 6 HIS B H 27 ATOM 37682 H HA . HIS B 1 6 ? 23.052 -1.063 -0.901 1.00 0.00 ? 6 HIS B HA 27 ATOM 37683 H HB2 . HIS B 1 6 ? 24.155 1.738 -1.000 1.00 0.00 ? 6 HIS B HB2 27 ATOM 37684 H HB3 . HIS B 1 6 ? 22.693 1.355 -0.097 1.00 0.00 ? 6 HIS B HB3 27 ATOM 37685 H HD1 . HIS B 1 6 ? 24.950 -1.440 0.126 1.00 0.00 ? 6 HIS B HD1 27 ATOM 37686 H HD2 . HIS B 1 6 ? 24.547 2.211 2.069 1.00 0.00 ? 6 HIS B HD2 27 ATOM 37687 H HE1 . HIS B 1 6 ? 26.253 -1.669 2.265 1.00 0.00 ? 6 HIS B HE1 27 ATOM 37688 H HE2 . HIS B 1 6 ? 25.996 0.553 3.425 1.00 0.00 ? 6 HIS B HE2 27 ATOM 37689 N N . GLU B 1 7 ? 22.438 0.668 -3.561 1.00 0.00 ? 7 GLU B N 27 ATOM 37690 C CA . GLU B 1 7 ? 21.402 1.067 -4.505 1.00 0.00 ? 7 GLU B CA 27 ATOM 37691 C C . GLU B 1 7 ? 20.668 -0.155 -5.043 1.00 0.00 ? 7 GLU B C 27 ATOM 37692 O O . GLU B 1 7 ? 19.443 -0.157 -5.151 1.00 0.00 ? 7 GLU B O 27 ATOM 37693 C CB . GLU B 1 7 ? 22.009 1.865 -5.660 1.00 0.00 ? 7 GLU B CB 27 ATOM 37694 C CG . GLU B 1 7 ? 20.982 2.628 -6.479 1.00 0.00 ? 7 GLU B CG 27 ATOM 37695 C CD . GLU B 1 7 ? 20.564 3.929 -5.822 1.00 0.00 ? 7 GLU B CD 27 ATOM 37696 O OE1 . GLU B 1 7 ? 20.332 3.928 -4.595 1.00 0.00 ? 7 GLU B OE1 27 ATOM 37697 O OE2 . GLU B 1 7 ? 20.468 4.950 -6.536 1.00 0.00 ? 7 GLU B OE2 27 ATOM 37698 H H . GLU B 1 7 ? 23.379 0.738 -3.828 1.00 0.00 ? 7 GLU B H 27 ATOM 37699 H HA . GLU B 1 7 ? 20.696 1.691 -3.978 1.00 0.00 ? 7 GLU B HA 27 ATOM 37700 H HB2 . GLU B 1 7 ? 22.718 2.574 -5.258 1.00 0.00 ? 7 GLU B HB2 27 ATOM 37701 H HB3 . GLU B 1 7 ? 22.529 1.184 -6.318 1.00 0.00 ? 7 GLU B HB3 27 ATOM 37702 H HG2 . GLU B 1 7 ? 21.405 2.851 -7.446 1.00 0.00 ? 7 GLU B HG2 27 ATOM 37703 H HG3 . GLU B 1 7 ? 20.106 2.007 -6.603 1.00 0.00 ? 7 GLU B HG3 27 ATOM 37704 N N . ASN B 1 8 ? 21.426 -1.196 -5.373 1.00 0.00 ? 8 ASN B N 27 ATOM 37705 C CA . ASN B 1 8 ? 20.843 -2.427 -5.890 1.00 0.00 ? 8 ASN B CA 27 ATOM 37706 C C . ASN B 1 8 ? 19.887 -3.030 -4.868 1.00 0.00 ? 8 ASN B C 27 ATOM 37707 O O . ASN B 1 8 ? 18.774 -3.440 -5.203 1.00 0.00 ? 8 ASN B O 27 ATOM 37708 C CB . ASN B 1 8 ? 21.942 -3.433 -6.238 1.00 0.00 ? 8 ASN B CB 27 ATOM 37709 C CG . ASN B 1 8 ? 22.545 -3.180 -7.606 1.00 0.00 ? 8 ASN B CG 27 ATOM 37710 O OD1 . ASN B 1 8 ? 21.829 -3.054 -8.599 1.00 0.00 ? 8 ASN B OD1 27 ATOM 37711 N ND2 . ASN B 1 8 ? 23.870 -3.105 -7.663 1.00 0.00 ? 8 ASN B ND2 27 ATOM 37712 H H . ASN B 1 8 ? 22.397 -1.137 -5.258 1.00 0.00 ? 8 ASN B H 27 ATOM 37713 H HA . ASN B 1 8 ? 20.290 -2.183 -6.785 1.00 0.00 ? 8 ASN B HA 27 ATOM 37714 H HB2 . ASN B 1 8 ? 22.729 -3.367 -5.501 1.00 0.00 ? 8 ASN B HB2 27 ATOM 37715 H HB3 . ASN B 1 8 ? 21.526 -4.430 -6.227 1.00 0.00 ? 8 ASN B HB3 27 ATOM 37716 H HD21 . ASN B 1 8 ? 24.376 -3.216 -6.833 1.00 0.00 ? 8 ASN B HD21 27 ATOM 37717 H HD22 . ASN B 1 8 ? 24.287 -2.943 -8.536 1.00 0.00 ? 8 ASN B HD22 27 ATOM 37718 N N . GLU B 1 9 ? 20.328 -3.072 -3.613 1.00 0.00 ? 9 GLU B N 27 ATOM 37719 C CA . GLU B 1 9 ? 19.506 -3.617 -2.541 1.00 0.00 ? 9 GLU B CA 27 ATOM 37720 C C . GLU B 1 9 ? 18.208 -2.835 -2.423 1.00 0.00 ? 9 GLU B C 27 ATOM 37721 O O . GLU B 1 9 ? 17.123 -3.418 -2.414 1.00 0.00 ? 9 GLU B O 27 ATOM 37722 C CB . GLU B 1 9 ? 20.264 -3.587 -1.214 1.00 0.00 ? 9 GLU B CB 27 ATOM 37723 C CG . GLU B 1 9 ? 19.743 -4.585 -0.192 1.00 0.00 ? 9 GLU B CG 27 ATOM 37724 C CD . GLU B 1 9 ? 20.582 -5.845 -0.128 1.00 0.00 ? 9 GLU B CD 27 ATOM 37725 O OE1 . GLU B 1 9 ? 20.348 -6.758 -0.948 1.00 0.00 ? 9 GLU B OE1 27 ATOM 37726 O OE2 . GLU B 1 9 ? 21.475 -5.920 0.742 1.00 0.00 ? 9 GLU B OE2 27 ATOM 37727 H H . GLU B 1 9 ? 21.222 -2.724 -3.404 1.00 0.00 ? 9 GLU B H 27 ATOM 37728 H HA . GLU B 1 9 ? 19.269 -4.639 -2.794 1.00 0.00 ? 9 GLU B HA 27 ATOM 37729 H HB2 . GLU B 1 9 ? 21.305 -3.807 -1.401 1.00 0.00 ? 9 GLU B HB2 27 ATOM 37730 H HB3 . GLU B 1 9 ? 20.187 -2.596 -0.790 1.00 0.00 ? 9 GLU B HB3 27 ATOM 37731 H HG2 . GLU B 1 9 ? 19.746 -4.119 0.781 1.00 0.00 ? 9 GLU B HG2 27 ATOM 37732 H HG3 . GLU B 1 9 ? 18.731 -4.856 -0.458 1.00 0.00 ? 9 GLU B HG3 27 ATOM 37733 N N . ILE B 1 10 ? 18.314 -1.512 -2.354 1.00 0.00 ? 10 ILE B N 27 ATOM 37734 C CA . ILE B 1 10 ? 17.131 -0.676 -2.262 1.00 0.00 ? 10 ILE B CA 27 ATOM 37735 C C . ILE B 1 10 ? 16.351 -0.709 -3.571 1.00 0.00 ? 10 ILE B C 27 ATOM 37736 O O . ILE B 1 10 ? 15.194 -0.301 -3.624 1.00 0.00 ? 10 ILE B O 27 ATOM 37737 C CB . ILE B 1 10 ? 17.470 0.778 -1.886 1.00 0.00 ? 10 ILE B CB 27 ATOM 37738 C CG1 . ILE B 1 10 ? 18.392 1.414 -2.925 1.00 0.00 ? 10 ILE B CG1 27 ATOM 37739 C CG2 . ILE B 1 10 ? 18.112 0.819 -0.510 1.00 0.00 ? 10 ILE B CG2 27 ATOM 37740 C CD1 . ILE B 1 10 ? 18.902 2.778 -2.509 1.00 0.00 ? 10 ILE B CD1 27 ATOM 37741 H H . ILE B 1 10 ? 19.201 -1.094 -2.382 1.00 0.00 ? 10 ILE B H 27 ATOM 37742 H HA . ILE B 1 10 ? 16.505 -1.086 -1.481 1.00 0.00 ? 10 ILE B HA 27 ATOM 37743 H HB . ILE B 1 10 ? 16.549 1.338 -1.842 1.00 0.00 ? 10 ILE B HB 27 ATOM 37744 H HG12 . ILE B 1 10 ? 19.245 0.773 -3.083 1.00 0.00 ? 10 ILE B HG12 27 ATOM 37745 H HG13 . ILE B 1 10 ? 17.854 1.529 -3.854 1.00 0.00 ? 10 ILE B HG13 27 ATOM 37746 H HG21 . ILE B 1 10 ? 17.558 0.185 0.166 1.00 0.00 ? 10 ILE B HG21 27 ATOM 37747 H HG22 . ILE B 1 10 ? 19.133 0.469 -0.577 1.00 0.00 ? 10 ILE B HG22 27 ATOM 37748 H HG23 . ILE B 1 10 ? 18.104 1.834 -0.139 1.00 0.00 ? 10 ILE B HG23 27 ATOM 37749 H HD11 . ILE B 1 10 ? 18.564 2.998 -1.504 1.00 0.00 ? 10 ILE B HD11 27 ATOM 37750 H HD12 . ILE B 1 10 ? 19.982 2.782 -2.534 1.00 0.00 ? 10 ILE B HD12 27 ATOM 37751 H HD13 . ILE B 1 10 ? 18.523 3.528 -3.188 1.00 0.00 ? 10 ILE B HD13 27 ATOM 37752 N N . SER B 1 11 ? 16.973 -1.227 -4.626 1.00 0.00 ? 11 SER B N 27 ATOM 37753 C CA . SER B 1 11 ? 16.303 -1.339 -5.908 1.00 0.00 ? 11 SER B CA 27 ATOM 37754 C C . SER B 1 11 ? 15.219 -2.403 -5.808 1.00 0.00 ? 11 SER B C 27 ATOM 37755 O O . SER B 1 11 ? 14.103 -2.226 -6.304 1.00 0.00 ? 11 SER B O 27 ATOM 37756 C CB . SER B 1 11 ? 17.300 -1.700 -7.010 1.00 0.00 ? 11 SER B CB 27 ATOM 37757 O OG . SER B 1 11 ? 17.130 -0.870 -8.147 1.00 0.00 ? 11 SER B OG 27 ATOM 37758 H H . SER B 1 11 ? 17.887 -1.562 -4.537 1.00 0.00 ? 11 SER B H 27 ATOM 37759 H HA . SER B 1 11 ? 15.845 -0.386 -6.135 1.00 0.00 ? 11 SER B HA 27 ATOM 37760 H HB2 . SER B 1 11 ? 18.306 -1.574 -6.638 1.00 0.00 ? 11 SER B HB2 27 ATOM 37761 H HB3 . SER B 1 11 ? 17.151 -2.728 -7.305 1.00 0.00 ? 11 SER B HB3 27 ATOM 37762 H HG . SER B 1 11 ? 17.989 -0.629 -8.499 1.00 0.00 ? 11 SER B HG 27 ATOM 37763 N N . HIS B 1 12 ? 15.554 -3.505 -5.138 1.00 0.00 ? 12 HIS B N 27 ATOM 37764 C CA . HIS B 1 12 ? 14.607 -4.593 -4.950 1.00 0.00 ? 12 HIS B CA 27 ATOM 37765 C C . HIS B 1 12 ? 13.516 -4.172 -3.957 1.00 0.00 ? 12 HIS B C 27 ATOM 37766 O O . HIS B 1 12 ? 12.339 -4.483 -4.147 1.00 0.00 ? 12 HIS B O 27 ATOM 37767 C CB . HIS B 1 12 ? 15.359 -5.874 -4.513 1.00 0.00 ? 12 HIS B CB 27 ATOM 37768 C CG . HIS B 1 12 ? 14.958 -6.461 -3.188 1.00 0.00 ? 12 HIS B CG 27 ATOM 37769 N ND1 . HIS B 1 12 ? 13.686 -6.920 -2.920 1.00 0.00 ? 12 HIS B ND1 27 ATOM 37770 C CD2 . HIS B 1 12 ? 15.678 -6.672 -2.062 1.00 0.00 ? 12 HIS B CD2 27 ATOM 37771 C CE1 . HIS B 1 12 ? 13.640 -7.389 -1.685 1.00 0.00 ? 12 HIS B CE1 27 ATOM 37772 N NE2 . HIS B 1 12 ? 14.837 -7.251 -1.144 1.00 0.00 ? 12 HIS B NE2 27 ATOM 37773 H H . HIS B 1 12 ? 16.459 -3.581 -4.751 1.00 0.00 ? 12 HIS B H 27 ATOM 37774 H HA . HIS B 1 12 ? 14.138 -4.777 -5.907 1.00 0.00 ? 12 HIS B HA 27 ATOM 37775 H HB2 . HIS B 1 12 ? 15.202 -6.635 -5.260 1.00 0.00 ? 12 HIS B HB2 27 ATOM 37776 H HB3 . HIS B 1 12 ? 16.416 -5.651 -4.466 1.00 0.00 ? 12 HIS B HB3 27 ATOM 37777 H HD1 . HIS B 1 12 ? 12.928 -6.904 -3.541 1.00 0.00 ? 12 HIS B HD1 27 ATOM 37778 H HD2 . HIS B 1 12 ? 16.721 -6.427 -1.914 1.00 0.00 ? 12 HIS B HD2 27 ATOM 37779 H HE1 . HIS B 1 12 ? 12.774 -7.814 -1.201 1.00 0.00 ? 12 HIS B HE1 27 ATOM 37780 H HE2 . HIS B 1 12 ? 15.082 -7.519 -0.234 1.00 0.00 ? 12 HIS B HE2 27 ATOM 37781 N N . HIS B 1 13 ? 13.910 -3.447 -2.910 1.00 0.00 ? 13 HIS B N 27 ATOM 37782 C CA . HIS B 1 13 ? 12.953 -2.974 -1.913 1.00 0.00 ? 13 HIS B CA 27 ATOM 37783 C C . HIS B 1 13 ? 12.003 -1.961 -2.533 1.00 0.00 ? 13 HIS B C 27 ATOM 37784 O O . HIS B 1 13 ? 10.873 -1.799 -2.079 1.00 0.00 ? 13 HIS B O 27 ATOM 37785 C CB . HIS B 1 13 ? 13.664 -2.332 -0.722 1.00 0.00 ? 13 HIS B CB 27 ATOM 37786 C CG . HIS B 1 13 ? 14.879 -3.068 -0.263 1.00 0.00 ? 13 HIS B CG 27 ATOM 37787 N ND1 . HIS B 1 13 ? 15.036 -4.430 -0.397 1.00 0.00 ? 13 HIS B ND1 27 ATOM 37788 C CD2 . HIS B 1 13 ? 16.000 -2.617 0.341 1.00 0.00 ? 13 HIS B CD2 27 ATOM 37789 C CE1 . HIS B 1 13 ? 16.205 -4.786 0.108 1.00 0.00 ? 13 HIS B CE1 27 ATOM 37790 N NE2 . HIS B 1 13 ? 16.809 -3.703 0.561 1.00 0.00 ? 13 HIS B NE2 27 ATOM 37791 H H . HIS B 1 13 ? 14.859 -3.214 -2.814 1.00 0.00 ? 13 HIS B H 27 ATOM 37792 H HA . HIS B 1 13 ? 12.384 -3.825 -1.569 1.00 0.00 ? 13 HIS B HA 27 ATOM 37793 H HB2 . HIS B 1 13 ? 13.968 -1.333 -0.992 1.00 0.00 ? 13 HIS B HB2 27 ATOM 37794 H HB3 . HIS B 1 13 ? 12.975 -2.278 0.108 1.00 0.00 ? 13 HIS B HB3 27 ATOM 37795 H HD1 . HIS B 1 13 ? 14.387 -5.042 -0.797 1.00 0.00 ? 13 HIS B HD1 27 ATOM 37796 H HD2 . HIS B 1 13 ? 16.214 -1.589 0.602 1.00 0.00 ? 13 HIS B HD2 27 ATOM 37797 H HE1 . HIS B 1 13 ? 16.598 -5.791 0.142 1.00 0.00 ? 13 HIS B HE1 27 ATOM 37798 H HE2 . HIS B 1 13 ? 17.693 -3.682 0.984 1.00 0.00 ? 13 HIS B HE2 27 ATOM 37799 N N . ALA B 1 14 ? 12.471 -1.280 -3.574 1.00 0.00 ? 14 ALA B N 27 ATOM 37800 C CA . ALA B 1 14 ? 11.660 -0.284 -4.259 1.00 0.00 ? 14 ALA B CA 27 ATOM 37801 C C . ALA B 1 14 ? 10.517 -0.958 -4.997 1.00 0.00 ? 14 ALA B C 27 ATOM 37802 O O . ALA B 1 14 ? 9.360 -0.561 -4.866 1.00 0.00 ? 14 ALA B O 27 ATOM 37803 C CB . ALA B 1 14 ? 12.514 0.529 -5.221 1.00 0.00 ? 14 ALA B CB 27 ATOM 37804 H H . ALA B 1 14 ? 13.379 -1.455 -3.891 1.00 0.00 ? 14 ALA B H 27 ATOM 37805 H HA . ALA B 1 14 ? 11.252 0.385 -3.516 1.00 0.00 ? 14 ALA B HA 27 ATOM 37806 H HB1 . ALA B 1 14 ? 13.021 -0.137 -5.903 1.00 0.00 ? 14 ALA B HB1 27 ATOM 37807 H HB2 . ALA B 1 14 ? 13.243 1.098 -4.664 1.00 0.00 ? 14 ALA B HB2 27 ATOM 37808 H HB3 . ALA B 1 14 ? 11.882 1.203 -5.781 1.00 0.00 ? 14 ALA B HB3 27 ATOM 37809 N N . LYS B 1 15 ? 10.847 -1.993 -5.759 1.00 0.00 ? 15 LYS B N 27 ATOM 37810 C CA . LYS B 1 15 ? 9.841 -2.738 -6.501 1.00 0.00 ? 15 LYS B CA 27 ATOM 37811 C C . LYS B 1 15 ? 8.917 -3.489 -5.542 1.00 0.00 ? 15 LYS B C 27 ATOM 37812 O O . LYS B 1 15 ? 7.802 -3.862 -5.906 1.00 0.00 ? 15 LYS B O 27 ATOM 37813 C CB . LYS B 1 15 ? 10.508 -3.724 -7.462 1.00 0.00 ? 15 LYS B CB 27 ATOM 37814 C CG . LYS B 1 15 ? 10.998 -3.080 -8.750 1.00 0.00 ? 15 LYS B CG 27 ATOM 37815 C CD . LYS B 1 15 ? 11.833 -4.047 -9.573 1.00 0.00 ? 15 LYS B CD 27 ATOM 37816 C CE . LYS B 1 15 ? 12.081 -3.514 -10.975 1.00 0.00 ? 15 LYS B CE 27 ATOM 37817 N NZ . LYS B 1 15 ? 10.867 -3.612 -11.830 1.00 0.00 ? 15 LYS B NZ 27 ATOM 37818 H H . LYS B 1 15 ? 11.790 -2.270 -5.813 1.00 0.00 ? 15 LYS B H 27 ATOM 37819 H HA . LYS B 1 15 ? 9.256 -2.031 -7.070 1.00 0.00 ? 15 LYS B HA 27 ATOM 37820 H HB2 . LYS B 1 15 ? 11.354 -4.175 -6.967 1.00 0.00 ? 15 LYS B HB2 27 ATOM 37821 H HB3 . LYS B 1 15 ? 9.798 -4.495 -7.719 1.00 0.00 ? 15 LYS B HB3 27 ATOM 37822 H HG2 . LYS B 1 15 ? 10.144 -2.770 -9.333 1.00 0.00 ? 15 LYS B HG2 27 ATOM 37823 H HG3 . LYS B 1 15 ? 11.600 -2.218 -8.502 1.00 0.00 ? 15 LYS B HG3 27 ATOM 37824 H HD2 . LYS B 1 15 ? 12.782 -4.196 -9.081 1.00 0.00 ? 15 LYS B HD2 27 ATOM 37825 H HD3 . LYS B 1 15 ? 11.309 -4.990 -9.643 1.00 0.00 ? 15 LYS B HD3 27 ATOM 37826 H HE2 . LYS B 1 15 ? 12.379 -2.479 -10.904 1.00 0.00 ? 15 LYS B HE2 27 ATOM 37827 H HE3 . LYS B 1 15 ? 12.878 -4.086 -11.427 1.00 0.00 ? 15 LYS B HE3 27 ATOM 37828 H HZ1 . LYS B 1 15 ? 10.151 -4.207 -11.367 1.00 0.00 ? 15 LYS B HZ1 27 ATOM 37829 H HZ2 . LYS B 1 15 ? 10.465 -2.667 -11.990 1.00 0.00 ? 15 LYS B HZ2 27 ATOM 37830 H HZ3 . LYS B 1 15 ? 11.111 -4.032 -12.750 1.00 0.00 ? 15 LYS B HZ3 27 ATOM 37831 N N . GLU B 1 16 ? 9.390 -3.708 -4.314 1.00 0.00 ? 16 GLU B N 27 ATOM 37832 C CA . GLU B 1 16 ? 8.609 -4.415 -3.306 1.00 0.00 ? 16 GLU B CA 27 ATOM 37833 C C . GLU B 1 16 ? 7.522 -3.522 -2.711 1.00 0.00 ? 16 GLU B C 27 ATOM 37834 O O . GLU B 1 16 ? 6.392 -3.965 -2.513 1.00 0.00 ? 16 GLU B O 27 ATOM 37835 C CB . GLU B 1 16 ? 9.524 -4.932 -2.194 1.00 0.00 ? 16 GLU B CB 27 ATOM 37836 C CG . GLU B 1 16 ? 10.409 -6.091 -2.624 1.00 0.00 ? 16 GLU B CG 27 ATOM 37837 C CD . GLU B 1 16 ? 9.927 -7.423 -2.085 1.00 0.00 ? 16 GLU B CD 27 ATOM 37838 O OE1 . GLU B 1 16 ? 8.761 -7.498 -1.641 1.00 0.00 ? 16 GLU B OE1 27 ATOM 37839 O OE2 . GLU B 1 16 ? 10.715 -8.393 -2.105 1.00 0.00 ? 16 GLU B OE2 27 ATOM 37840 H H . GLU B 1 16 ? 10.288 -3.390 -4.082 1.00 0.00 ? 16 GLU B H 27 ATOM 37841 H HA . GLU B 1 16 ? 8.136 -5.258 -3.788 1.00 0.00 ? 16 GLU B HA 27 ATOM 37842 H HB2 . GLU B 1 16 ? 10.161 -4.125 -1.863 1.00 0.00 ? 16 GLU B HB2 27 ATOM 37843 H HB3 . GLU B 1 16 ? 8.915 -5.261 -1.365 1.00 0.00 ? 16 GLU B HB3 27 ATOM 37844 H HG2 . GLU B 1 16 ? 10.418 -6.139 -3.702 1.00 0.00 ? 16 GLU B HG2 27 ATOM 37845 H HG3 . GLU B 1 16 ? 11.411 -5.915 -2.264 1.00 0.00 ? 16 GLU B HG3 27 ATOM 37846 N N . ILE B 1 17 ? 7.864 -2.268 -2.425 1.00 0.00 ? 17 ILE B N 27 ATOM 37847 C CA . ILE B 1 17 ? 6.898 -1.334 -1.855 1.00 0.00 ? 17 ILE B CA 27 ATOM 37848 C C . ILE B 1 17 ? 5.950 -0.818 -2.931 1.00 0.00 ? 17 ILE B C 27 ATOM 37849 O O . ILE B 1 17 ? 4.815 -0.440 -2.643 1.00 0.00 ? 17 ILE B O 27 ATOM 37850 C CB . ILE B 1 17 ? 7.605 -0.145 -1.171 1.00 0.00 ? 17 ILE B CB 27 ATOM 37851 C CG1 . ILE B 1 17 ? 6.582 0.791 -0.517 1.00 0.00 ? 17 ILE B CG1 27 ATOM 37852 C CG2 . ILE B 1 17 ? 8.473 0.606 -2.172 1.00 0.00 ? 17 ILE B CG2 27 ATOM 37853 C CD1 . ILE B 1 17 ? 5.878 1.719 -1.487 1.00 0.00 ? 17 ILE B CD1 27 ATOM 37854 H H . ILE B 1 17 ? 8.781 -1.963 -2.602 1.00 0.00 ? 17 ILE B H 27 ATOM 37855 H HA . ILE B 1 17 ? 6.319 -1.862 -1.109 1.00 0.00 ? 17 ILE B HA 27 ATOM 37856 H HB . ILE B 1 17 ? 8.254 -0.543 -0.404 1.00 0.00 ? 17 ILE B HB 27 ATOM 37857 H HG12 . ILE B 1 17 ? 5.828 0.196 -0.026 1.00 0.00 ? 17 ILE B HG12 27 ATOM 37858 H HG13 . ILE B 1 17 ? 7.086 1.401 0.218 1.00 0.00 ? 17 ILE B HG13 27 ATOM 37859 H HG21 . ILE B 1 17 ? 8.247 0.266 -3.172 1.00 0.00 ? 17 ILE B HG21 27 ATOM 37860 H HG22 . ILE B 1 17 ? 8.274 1.665 -2.098 1.00 0.00 ? 17 ILE B HG22 27 ATOM 37861 H HG23 . ILE B 1 17 ? 9.515 0.419 -1.956 1.00 0.00 ? 17 ILE B HG23 27 ATOM 37862 H HD11 . ILE B 1 17 ? 6.258 1.555 -2.485 1.00 0.00 ? 17 ILE B HD11 27 ATOM 37863 H HD12 . ILE B 1 17 ? 4.817 1.521 -1.470 1.00 0.00 ? 17 ILE B HD12 27 ATOM 37864 H HD13 . ILE B 1 17 ? 6.057 2.744 -1.198 1.00 0.00 ? 17 ILE B HD13 27 ATOM 37865 N N . GLU B 1 18 ? 6.419 -0.821 -4.174 1.00 0.00 ? 18 GLU B N 27 ATOM 37866 C CA . GLU B 1 18 ? 5.608 -0.367 -5.295 1.00 0.00 ? 18 GLU B CA 27 ATOM 37867 C C . GLU B 1 18 ? 4.643 -1.463 -5.725 1.00 0.00 ? 18 GLU B C 27 ATOM 37868 O O . GLU B 1 18 ? 3.529 -1.186 -6.169 1.00 0.00 ? 18 GLU B O 27 ATOM 37869 C CB . GLU B 1 18 ? 6.500 0.040 -6.470 1.00 0.00 ? 18 GLU B CB 27 ATOM 37870 C CG . GLU B 1 18 ? 5.721 0.442 -7.712 1.00 0.00 ? 18 GLU B CG 27 ATOM 37871 C CD . GLU B 1 18 ? 6.304 1.666 -8.393 1.00 0.00 ? 18 GLU B CD 27 ATOM 37872 O OE1 . GLU B 1 18 ? 7.483 1.612 -8.803 1.00 0.00 ? 18 GLU B OE1 27 ATOM 37873 O OE2 . GLU B 1 18 ? 5.581 2.677 -8.517 1.00 0.00 ? 18 GLU B OE2 27 ATOM 37874 H H . GLU B 1 18 ? 7.328 -1.145 -4.341 1.00 0.00 ? 18 GLU B H 27 ATOM 37875 H HA . GLU B 1 18 ? 5.039 0.491 -4.968 1.00 0.00 ? 18 GLU B HA 27 ATOM 37876 H HB2 . GLU B 1 18 ? 7.113 0.876 -6.168 1.00 0.00 ? 18 GLU B HB2 27 ATOM 37877 H HB3 . GLU B 1 18 ? 7.140 -0.791 -6.726 1.00 0.00 ? 18 GLU B HB3 27 ATOM 37878 H HG2 . GLU B 1 18 ? 5.735 -0.380 -8.411 1.00 0.00 ? 18 GLU B HG2 27 ATOM 37879 H HG3 . GLU B 1 18 ? 4.702 0.657 -7.429 1.00 0.00 ? 18 GLU B HG3 27 ATOM 37880 N N . ARG B 1 19 ? 5.075 -2.713 -5.579 1.00 0.00 ? 19 ARG B N 27 ATOM 37881 C CA . ARG B 1 19 ? 4.246 -3.853 -5.941 1.00 0.00 ? 19 ARG B CA 27 ATOM 37882 C C . ARG B 1 19 ? 3.120 -4.031 -4.929 1.00 0.00 ? 19 ARG B C 27 ATOM 37883 O O . ARG B 1 19 ? 1.953 -4.190 -5.298 1.00 0.00 ? 19 ARG B O 27 ATOM 37884 C CB . ARG B 1 19 ? 5.091 -5.126 -6.014 1.00 0.00 ? 19 ARG B CB 27 ATOM 37885 C CG . ARG B 1 19 ? 4.367 -6.301 -6.652 1.00 0.00 ? 19 ARG B CG 27 ATOM 37886 C CD . ARG B 1 19 ? 5.228 -6.980 -7.704 1.00 0.00 ? 19 ARG B CD 27 ATOM 37887 N NE . ARG B 1 19 ? 6.171 -7.926 -7.114 1.00 0.00 ? 19 ARG B NE 27 ATOM 37888 C CZ . ARG B 1 19 ? 5.844 -9.161 -6.748 1.00 0.00 ? 19 ARG B CZ 27 ATOM 37889 N NH1 . ARG B 1 19 ? 4.602 -9.596 -6.912 1.00 0.00 ? 19 ARG B NH1 27 ATOM 37890 N NH2 . ARG B 1 19 ? 6.758 -9.962 -6.218 1.00 0.00 ? 19 ARG B NH2 27 ATOM 37891 H H . ARG B 1 19 ? 5.970 -2.870 -5.211 1.00 0.00 ? 19 ARG B H 27 ATOM 37892 H HA . ARG B 1 19 ? 3.815 -3.657 -6.912 1.00 0.00 ? 19 ARG B HA 27 ATOM 37893 H HB2 . ARG B 1 19 ? 5.979 -4.921 -6.593 1.00 0.00 ? 19 ARG B HB2 27 ATOM 37894 H HB3 . ARG B 1 19 ? 5.382 -5.409 -5.013 1.00 0.00 ? 19 ARG B HB3 27 ATOM 37895 H HG2 . ARG B 1 19 ? 4.122 -7.020 -5.883 1.00 0.00 ? 19 ARG B HG2 27 ATOM 37896 H HG3 . ARG B 1 19 ? 3.460 -5.944 -7.116 1.00 0.00 ? 19 ARG B HG3 27 ATOM 37897 H HD2 . ARG B 1 19 ? 4.583 -7.512 -8.390 1.00 0.00 ? 19 ARG B HD2 27 ATOM 37898 H HD3 . ARG B 1 19 ? 5.780 -6.224 -8.242 1.00 0.00 ? 19 ARG B HD3 27 ATOM 37899 H HE . ARG B 1 19 ? 7.094 -7.625 -6.983 1.00 0.00 ? 19 ARG B HE 27 ATOM 37900 H HH11 . ARG B 1 19 ? 3.910 -8.995 -7.312 1.00 0.00 ? 19 ARG B HH11 27 ATOM 37901 H HH12 . ARG B 1 19 ? 4.358 -10.526 -6.637 1.00 0.00 ? 19 ARG B HH12 27 ATOM 37902 H HH21 . ARG B 1 19 ? 7.696 -9.637 -6.092 1.00 0.00 ? 19 ARG B HH21 27 ATOM 37903 H HH22 . ARG B 1 19 ? 6.510 -10.891 -5.943 1.00 0.00 ? 19 ARG B HH22 27 ATOM 37904 N N . LEU B 1 20 ? 3.474 -3.985 -3.647 1.00 0.00 ? 20 LEU B N 27 ATOM 37905 C CA . LEU B 1 20 ? 2.488 -4.127 -2.592 1.00 0.00 ? 20 LEU B CA 27 ATOM 37906 C C . LEU B 1 20 ? 1.528 -2.949 -2.625 1.00 0.00 ? 20 LEU B C 27 ATOM 37907 O O . LEU B 1 20 ? 0.329 -3.106 -2.400 1.00 0.00 ? 20 LEU B O 27 ATOM 37908 C CB . LEU B 1 20 ? 3.175 -4.217 -1.227 1.00 0.00 ? 20 LEU B CB 27 ATOM 37909 C CG . LEU B 1 20 ? 3.646 -5.618 -0.830 1.00 0.00 ? 20 LEU B CG 27 ATOM 37910 C CD1 . LEU B 1 20 ? 2.470 -6.463 -0.363 1.00 0.00 ? 20 LEU B CD1 27 ATOM 37911 C CD2 . LEU B 1 20 ? 4.360 -6.292 -1.993 1.00 0.00 ? 20 LEU B CD2 27 ATOM 37912 H H . LEU B 1 20 ? 4.415 -3.839 -3.407 1.00 0.00 ? 20 LEU B H 27 ATOM 37913 H HA . LEU B 1 20 ? 1.935 -5.036 -2.772 1.00 0.00 ? 20 LEU B HA 27 ATOM 37914 H HB2 . LEU B 1 20 ? 4.032 -3.560 -1.235 1.00 0.00 ? 20 LEU B HB2 27 ATOM 37915 H HB3 . LEU B 1 20 ? 2.483 -3.870 -0.477 1.00 0.00 ? 20 LEU B HB3 27 ATOM 37916 H HG . LEU B 1 20 ? 4.344 -5.537 -0.009 1.00 0.00 ? 20 LEU B HG 27 ATOM 37917 H HD11 . LEU B 1 20 ? 1.674 -5.816 -0.026 1.00 0.00 ? 20 LEU B HD11 27 ATOM 37918 H HD12 . LEU B 1 20 ? 2.117 -7.071 -1.183 1.00 0.00 ? 20 LEU B HD12 27 ATOM 37919 H HD13 . LEU B 1 20 ? 2.786 -7.100 0.450 1.00 0.00 ? 20 LEU B HD13 27 ATOM 37920 H HD21 . LEU B 1 20 ? 3.775 -6.172 -2.892 1.00 0.00 ? 20 LEU B HD21 27 ATOM 37921 H HD22 . LEU B 1 20 ? 5.330 -5.839 -2.130 1.00 0.00 ? 20 LEU B HD22 27 ATOM 37922 H HD23 . LEU B 1 20 ? 4.481 -7.343 -1.779 1.00 0.00 ? 20 LEU B HD23 27 ATOM 37923 N N . GLN B 1 21 ? 2.065 -1.768 -2.921 1.00 0.00 ? 21 GLN B N 27 ATOM 37924 C CA . GLN B 1 21 ? 1.259 -0.558 -3.000 1.00 0.00 ? 21 GLN B CA 27 ATOM 37925 C C . GLN B 1 21 ? 0.219 -0.687 -4.106 1.00 0.00 ? 21 GLN B C 27 ATOM 37926 O O . GLN B 1 21 ? -0.902 -0.192 -3.982 1.00 0.00 ? 21 GLN B O 27 ATOM 37927 C CB . GLN B 1 21 ? 2.147 0.661 -3.256 1.00 0.00 ? 21 GLN B CB 27 ATOM 37928 C CG . GLN B 1 21 ? 1.368 1.946 -3.483 1.00 0.00 ? 21 GLN B CG 27 ATOM 37929 C CD . GLN B 1 21 ? 1.169 2.253 -4.954 1.00 0.00 ? 21 GLN B CD 27 ATOM 37930 O OE1 . GLN B 1 21 ? 0.042 2.433 -5.416 1.00 0.00 ? 21 GLN B OE1 27 ATOM 37931 N NE2 . GLN B 1 21 ? 2.267 2.317 -5.699 1.00 0.00 ? 21 GLN B NE2 27 ATOM 37932 H H . GLN B 1 21 ? 3.028 -1.712 -3.101 1.00 0.00 ? 21 GLN B H 27 ATOM 37933 H HA . GLN B 1 21 ? 0.751 -0.433 -2.055 1.00 0.00 ? 21 GLN B HA 27 ATOM 37934 H HB2 . GLN B 1 21 ? 2.796 0.804 -2.404 1.00 0.00 ? 21 GLN B HB2 27 ATOM 37935 H HB3 . GLN B 1 21 ? 2.754 0.472 -4.130 1.00 0.00 ? 21 GLN B HB3 27 ATOM 37936 H HG2 . GLN B 1 21 ? 0.399 1.851 -3.017 1.00 0.00 ? 21 GLN B HG2 27 ATOM 37937 H HG3 . GLN B 1 21 ? 1.907 2.763 -3.028 1.00 0.00 ? 21 GLN B HG3 27 ATOM 37938 H HE21 . GLN B 1 21 ? 3.132 2.164 -5.264 1.00 0.00 ? 21 GLN B HE21 27 ATOM 37939 H HE22 . GLN B 1 21 ? 2.167 2.514 -6.654 1.00 0.00 ? 21 GLN B HE22 27 ATOM 37940 N N . LYS B 1 22 ? 0.599 -1.362 -5.186 1.00 0.00 ? 22 LYS B N 27 ATOM 37941 C CA . LYS B 1 22 ? -0.300 -1.566 -6.313 1.00 0.00 ? 22 LYS B CA 27 ATOM 37942 C C . LYS B 1 22 ? -1.529 -2.356 -5.877 1.00 0.00 ? 22 LYS B C 27 ATOM 37943 O O . LYS B 1 22 ? -2.664 -1.948 -6.127 1.00 0.00 ? 22 LYS B O 27 ATOM 37944 C CB . LYS B 1 22 ? 0.420 -2.302 -7.444 1.00 0.00 ? 22 LYS B CB 27 ATOM 37945 C CG . LYS B 1 22 ? -0.492 -2.690 -8.597 1.00 0.00 ? 22 LYS B CG 27 ATOM 37946 C CD . LYS B 1 22 ? 0.155 -3.735 -9.491 1.00 0.00 ? 22 LYS B CD 27 ATOM 37947 C CE . LYS B 1 22 ? 0.339 -5.056 -8.762 1.00 0.00 ? 22 LYS B CE 27 ATOM 37948 N NZ . LYS B 1 22 ? 0.090 -6.223 -9.654 1.00 0.00 ? 22 LYS B NZ 27 ATOM 37949 H H . LYS B 1 22 ? 1.503 -1.737 -5.222 1.00 0.00 ? 22 LYS B H 27 ATOM 37950 H HA . LYS B 1 22 ? -0.617 -0.596 -6.667 1.00 0.00 ? 22 LYS B HA 27 ATOM 37951 H HB2 . LYS B 1 22 ? 1.203 -1.665 -7.832 1.00 0.00 ? 22 LYS B HB2 27 ATOM 37952 H HB3 . LYS B 1 22 ? 0.865 -3.202 -7.046 1.00 0.00 ? 22 LYS B HB3 27 ATOM 37953 H HG2 . LYS B 1 22 ? -1.411 -3.093 -8.196 1.00 0.00 ? 22 LYS B HG2 27 ATOM 37954 H HG3 . LYS B 1 22 ? -0.708 -1.810 -9.184 1.00 0.00 ? 22 LYS B HG3 27 ATOM 37955 H HD2 . LYS B 1 22 ? -0.473 -3.896 -10.353 1.00 0.00 ? 22 LYS B HD2 27 ATOM 37956 H HD3 . LYS B 1 22 ? 1.122 -3.372 -9.811 1.00 0.00 ? 22 LYS B HD3 27 ATOM 37957 H HE2 . LYS B 1 22 ? 1.350 -5.110 -8.388 1.00 0.00 ? 22 LYS B HE2 27 ATOM 37958 H HE3 . LYS B 1 22 ? -0.353 -5.094 -7.933 1.00 0.00 ? 22 LYS B HE3 27 ATOM 37959 H HZ1 . LYS B 1 22 ? -0.671 -6.001 -10.328 1.00 0.00 ? 22 LYS B HZ1 27 ATOM 37960 H HZ2 . LYS B 1 22 ? 0.952 -6.456 -10.187 1.00 0.00 ? 22 LYS B HZ2 27 ATOM 37961 H HZ3 . LYS B 1 22 ? -0.191 -7.050 -9.091 1.00 0.00 ? 22 LYS B HZ3 27 ATOM 37962 N N . GLU B 1 23 ? -1.293 -3.486 -5.216 1.00 0.00 ? 23 GLU B N 27 ATOM 37963 C CA . GLU B 1 23 ? -2.385 -4.329 -4.738 1.00 0.00 ? 23 GLU B CA 27 ATOM 37964 C C . GLU B 1 23 ? -3.322 -3.537 -3.829 1.00 0.00 ? 23 GLU B C 27 ATOM 37965 O O . GLU B 1 23 ? -4.549 -3.625 -3.947 1.00 0.00 ? 23 GLU B O 27 ATOM 37966 C CB . GLU B 1 23 ? -1.832 -5.542 -3.989 1.00 0.00 ? 23 GLU B CB 27 ATOM 37967 C CG . GLU B 1 23 ? -2.514 -6.849 -4.358 1.00 0.00 ? 23 GLU B CG 27 ATOM 37968 C CD . GLU B 1 23 ? -1.632 -8.056 -4.112 1.00 0.00 ? 23 GLU B CD 27 ATOM 37969 O OE1 . GLU B 1 23 ? -1.431 -8.415 -2.933 1.00 0.00 ? 23 GLU B OE1 27 ATOM 37970 O OE2 . GLU B 1 23 ? -1.142 -8.645 -5.099 1.00 0.00 ? 23 GLU B OE2 27 ATOM 37971 H H . GLU B 1 23 ? -0.365 -3.757 -5.044 1.00 0.00 ? 23 GLU B H 27 ATOM 37972 H HA . GLU B 1 23 ? -2.941 -4.670 -5.599 1.00 0.00 ? 23 GLU B HA 27 ATOM 37973 H HB2 . GLU B 1 23 ? -0.779 -5.636 -4.209 1.00 0.00 ? 23 GLU B HB2 27 ATOM 37974 H HB3 . GLU B 1 23 ? -1.956 -5.382 -2.928 1.00 0.00 ? 23 GLU B HB3 27 ATOM 37975 H HG2 . GLU B 1 23 ? -3.411 -6.951 -3.766 1.00 0.00 ? 23 GLU B HG2 27 ATOM 37976 H HG3 . GLU B 1 23 ? -2.777 -6.820 -5.406 1.00 0.00 ? 23 GLU B HG3 27 ATOM 37977 N N . ILE B 1 24 ? -2.737 -2.752 -2.927 1.00 0.00 ? 24 ILE B N 27 ATOM 37978 C CA . ILE B 1 24 ? -3.528 -1.940 -2.007 1.00 0.00 ? 24 ILE B CA 27 ATOM 37979 C C . ILE B 1 24 ? -4.357 -0.926 -2.798 1.00 0.00 ? 24 ILE B C 27 ATOM 37980 O O . ILE B 1 24 ? -5.437 -0.524 -2.373 1.00 0.00 ? 24 ILE B O 27 ATOM 37981 C CB . ILE B 1 24 ? -2.651 -1.225 -0.923 1.00 0.00 ? 24 ILE B CB 27 ATOM 37982 C CG1 . ILE B 1 24 ? -2.287 0.218 -1.307 1.00 0.00 ? 24 ILE B CG1 27 ATOM 37983 C CG2 . ILE B 1 24 ? -1.381 -2.013 -0.641 1.00 0.00 ? 24 ILE B CG2 27 ATOM 37984 C CD1 . ILE B 1 24 ? -3.241 1.241 -0.732 1.00 0.00 ? 24 ILE B CD1 27 ATOM 37985 H H . ILE B 1 24 ? -1.761 -2.715 -2.890 1.00 0.00 ? 24 ILE B H 27 ATOM 37986 H HA . ILE B 1 24 ? -4.210 -2.609 -1.495 1.00 0.00 ? 24 ILE B HA 27 ATOM 37987 H HB . ILE B 1 24 ? -3.224 -1.203 -0.008 1.00 0.00 ? 24 ILE B HB 27 ATOM 37988 H HG12 . ILE B 1 24 ? -1.296 0.444 -0.943 1.00 0.00 ? 24 ILE B HG12 27 ATOM 37989 H HG13 . ILE B 1 24 ? -2.303 0.313 -2.383 1.00 0.00 ? 24 ILE B HG13 27 ATOM 37990 H HG21 . ILE B 1 24 ? -1.503 -3.029 -0.987 1.00 0.00 ? 24 ILE B HG21 27 ATOM 37991 H HG22 . ILE B 1 24 ? -0.553 -1.553 -1.157 1.00 0.00 ? 24 ILE B HG22 27 ATOM 37992 H HG23 . ILE B 1 24 ? -1.187 -2.013 0.419 1.00 0.00 ? 24 ILE B HG23 27 ATOM 37993 H HD11 . ILE B 1 24 ? -3.963 0.743 -0.099 1.00 0.00 ? 24 ILE B HD11 27 ATOM 37994 H HD12 . ILE B 1 24 ? -2.687 1.962 -0.148 1.00 0.00 ? 24 ILE B HD12 27 ATOM 37995 H HD13 . ILE B 1 24 ? -3.755 1.746 -1.535 1.00 0.00 ? 24 ILE B HD13 27 ATOM 37996 N N . GLU B 1 25 ? -3.828 -0.526 -3.954 1.00 0.00 ? 25 GLU B N 27 ATOM 37997 C CA . GLU B 1 25 ? -4.506 0.431 -4.817 1.00 0.00 ? 25 GLU B CA 27 ATOM 37998 C C . GLU B 1 25 ? -5.779 -0.179 -5.386 1.00 0.00 ? 25 GLU B C 27 ATOM 37999 O O . GLU B 1 25 ? -6.789 0.505 -5.539 1.00 0.00 ? 25 GLU B O 27 ATOM 38000 C CB . GLU B 1 25 ? -3.580 0.870 -5.954 1.00 0.00 ? 25 GLU B CB 27 ATOM 38001 C CG . GLU B 1 25 ? -3.357 2.372 -6.010 1.00 0.00 ? 25 GLU B CG 27 ATOM 38002 C CD . GLU B 1 25 ? -2.495 2.789 -7.187 1.00 0.00 ? 25 GLU B CD 27 ATOM 38003 O OE1 . GLU B 1 25 ? -2.298 1.961 -8.101 1.00 0.00 ? 25 GLU B OE1 27 ATOM 38004 O OE2 . GLU B 1 25 ? -2.019 3.942 -7.195 1.00 0.00 ? 25 GLU B OE2 27 ATOM 38005 H H . GLU B 1 25 ? -2.962 -0.890 -4.232 1.00 0.00 ? 25 GLU B H 27 ATOM 38006 H HA . GLU B 1 25 ? -4.765 1.292 -4.220 1.00 0.00 ? 25 GLU B HA 27 ATOM 38007 H HB2 . GLU B 1 25 ? -2.622 0.389 -5.828 1.00 0.00 ? 25 GLU B HB2 27 ATOM 38008 H HB3 . GLU B 1 25 ? -4.011 0.555 -6.893 1.00 0.00 ? 25 GLU B HB3 27 ATOM 38009 H HG2 . GLU B 1 25 ? -4.314 2.863 -6.094 1.00 0.00 ? 25 GLU B HG2 27 ATOM 38010 H HG3 . GLU B 1 25 ? -2.870 2.685 -5.098 1.00 0.00 ? 25 GLU B HG3 27 ATOM 38011 N N . ARG B 1 26 ? -5.726 -1.473 -5.685 1.00 0.00 ? 26 ARG B N 27 ATOM 38012 C CA . ARG B 1 26 ? -6.882 -2.177 -6.222 1.00 0.00 ? 26 ARG B CA 27 ATOM 38013 C C . ARG B 1 26 ? -8.019 -2.154 -5.210 1.00 0.00 ? 26 ARG B C 27 ATOM 38014 O O . ARG B 1 26 ? -9.135 -1.724 -5.516 1.00 0.00 ? 26 ARG B O 27 ATOM 38015 C CB . ARG B 1 26 ? -6.516 -3.621 -6.569 1.00 0.00 ? 26 ARG B CB 27 ATOM 38016 C CG . ARG B 1 26 ? -7.165 -4.124 -7.848 1.00 0.00 ? 26 ARG B CG 27 ATOM 38017 C CD . ARG B 1 26 ? -8.215 -5.185 -7.560 1.00 0.00 ? 26 ARG B CD 27 ATOM 38018 N NE . ARG B 1 26 ? -8.810 -5.712 -8.785 1.00 0.00 ? 26 ARG B NE 27 ATOM 38019 C CZ . ARG B 1 26 ? -9.981 -6.339 -8.824 1.00 0.00 ? 26 ARG B CZ 27 ATOM 38020 N NH1 . ARG B 1 26 ? -10.679 -6.515 -7.709 1.00 0.00 ? 26 ARG B NH1 27 ATOM 38021 N NH2 . ARG B 1 26 ? -10.456 -6.791 -9.976 1.00 0.00 ? 26 ARG B NH2 27 ATOM 38022 H H . ARG B 1 26 ? -4.892 -1.966 -5.532 1.00 0.00 ? 26 ARG B H 27 ATOM 38023 H HA . ARG B 1 26 ? -7.198 -1.666 -7.119 1.00 0.00 ? 26 ARG B HA 27 ATOM 38024 H HB2 . ARG B 1 26 ? -5.445 -3.692 -6.683 1.00 0.00 ? 26 ARG B HB2 27 ATOM 38025 H HB3 . ARG B 1 26 ? -6.825 -4.263 -5.758 1.00 0.00 ? 26 ARG B HB3 27 ATOM 38026 H HG2 . ARG B 1 26 ? -7.637 -3.293 -8.351 1.00 0.00 ? 26 ARG B HG2 27 ATOM 38027 H HG3 . ARG B 1 26 ? -6.403 -4.548 -8.485 1.00 0.00 ? 26 ARG B HG3 27 ATOM 38028 H HD2 . ARG B 1 26 ? -7.751 -5.995 -7.018 1.00 0.00 ? 26 ARG B HD2 27 ATOM 38029 H HD3 . ARG B 1 26 ? -8.994 -4.747 -6.953 1.00 0.00 ? 26 ARG B HD3 27 ATOM 38030 H HE . ARG B 1 26 ? -8.311 -5.593 -9.619 1.00 0.00 ? 26 ARG B HE 27 ATOM 38031 H HH11 . ARG B 1 26 ? -10.324 -6.175 -6.838 1.00 0.00 ? 26 ARG B HH11 27 ATOM 38032 H HH12 . ARG B 1 26 ? -11.560 -6.988 -7.741 1.00 0.00 ? 26 ARG B HH12 27 ATOM 38033 H HH21 . ARG B 1 26 ? -9.933 -6.660 -10.818 1.00 0.00 ? 26 ARG B HH21 27 ATOM 38034 H HH22 . ARG B 1 26 ? -11.337 -7.263 -10.003 1.00 0.00 ? 26 ARG B HH22 27 ATOM 38035 N N . HIS B 1 27 ? -7.722 -2.596 -3.990 1.00 0.00 ? 27 HIS B N 27 ATOM 38036 C CA . HIS B 1 27 ? -8.717 -2.599 -2.929 1.00 0.00 ? 27 HIS B CA 27 ATOM 38037 C C . HIS B 1 27 ? -9.117 -1.169 -2.580 1.00 0.00 ? 27 HIS B C 27 ATOM 38038 O O . HIS B 1 27 ? -10.200 -0.929 -2.047 1.00 0.00 ? 27 HIS B O 27 ATOM 38039 C CB . HIS B 1 27 ? -8.173 -3.310 -1.688 1.00 0.00 ? 27 HIS B CB 27 ATOM 38040 C CG . HIS B 1 27 ? -8.959 -4.523 -1.302 1.00 0.00 ? 27 HIS B CG 27 ATOM 38041 N ND1 . HIS B 1 27 ? -10.206 -4.457 -0.713 1.00 0.00 ? 27 HIS B ND1 27 ATOM 38042 C CD2 . HIS B 1 27 ? -8.672 -5.842 -1.422 1.00 0.00 ? 27 HIS B CD2 27 ATOM 38043 C CE1 . HIS B 1 27 ? -10.650 -5.680 -0.488 1.00 0.00 ? 27 HIS B CE1 27 ATOM 38044 N NE2 . HIS B 1 27 ? -9.739 -6.537 -0.909 1.00 0.00 ? 27 HIS B NE2 27 ATOM 38045 H H . HIS B 1 27 ? -6.809 -2.907 -3.796 1.00 0.00 ? 27 HIS B H 27 ATOM 38046 H HA . HIS B 1 27 ? -9.586 -3.128 -3.289 1.00 0.00 ? 27 HIS B HA 27 ATOM 38047 H HB2 . HIS B 1 27 ? -7.155 -3.621 -1.878 1.00 0.00 ? 27 HIS B HB2 27 ATOM 38048 H HB3 . HIS B 1 27 ? -8.185 -2.625 -0.855 1.00 0.00 ? 27 HIS B HB3 27 ATOM 38049 H HD1 . HIS B 1 27 ? -10.692 -3.634 -0.494 1.00 0.00 ? 27 HIS B HD1 27 ATOM 38050 H HD2 . HIS B 1 27 ? -7.772 -6.266 -1.843 1.00 0.00 ? 27 HIS B HD2 27 ATOM 38051 H HE1 . HIS B 1 27 ? -11.599 -5.936 -0.038 1.00 0.00 ? 27 HIS B HE1 27 ATOM 38052 H HE2 . HIS B 1 27 ? -9.815 -7.513 -0.861 1.00 0.00 ? 27 HIS B HE2 27 ATOM 38053 N N . LYS B 1 28 ? -8.231 -0.222 -2.891 1.00 0.00 ? 28 LYS B N 27 ATOM 38054 C CA . LYS B 1 28 ? -8.481 1.186 -2.619 1.00 0.00 ? 28 LYS B CA 27 ATOM 38055 C C . LYS B 1 28 ? -9.413 1.786 -3.664 1.00 0.00 ? 28 LYS B C 27 ATOM 38056 O O . LYS B 1 28 ? -10.090 2.780 -3.406 1.00 0.00 ? 28 LYS B O 27 ATOM 38057 C CB . LYS B 1 28 ? -7.163 1.964 -2.590 1.00 0.00 ? 28 LYS B CB 27 ATOM 38058 C CG . LYS B 1 28 ? -7.282 3.337 -1.950 1.00 0.00 ? 28 LYS B CG 27 ATOM 38059 C CD . LYS B 1 28 ? -6.254 4.304 -2.513 1.00 0.00 ? 28 LYS B CD 27 ATOM 38060 C CE . LYS B 1 28 ? -4.846 3.740 -2.418 1.00 0.00 ? 28 LYS B CE 27 ATOM 38061 N NZ . LYS B 1 28 ? -3.824 4.711 -2.896 1.00 0.00 ? 28 LYS B NZ 27 ATOM 38062 H H . LYS B 1 28 ? -7.389 -0.477 -3.318 1.00 0.00 ? 28 LYS B H 27 ATOM 38063 H HA . LYS B 1 28 ? -8.950 1.255 -1.652 1.00 0.00 ? 28 LYS B HA 27 ATOM 38064 H HB2 . LYS B 1 28 ? -6.434 1.393 -2.036 1.00 0.00 ? 28 LYS B HB2 27 ATOM 38065 H HB3 . LYS B 1 28 ? -6.814 2.092 -3.603 1.00 0.00 ? 28 LYS B HB3 27 ATOM 38066 H HG2 . LYS B 1 28 ? -8.271 3.728 -2.138 1.00 0.00 ? 28 LYS B HG2 27 ATOM 38067 H HG3 . LYS B 1 28 ? -7.127 3.241 -0.885 1.00 0.00 ? 28 LYS B HG3 27 ATOM 38068 H HD2 . LYS B 1 28 ? -6.485 4.496 -3.551 1.00 0.00 ? 28 LYS B HD2 27 ATOM 38069 H HD3 . LYS B 1 28 ? -6.300 5.229 -1.956 1.00 0.00 ? 28 LYS B HD3 27 ATOM 38070 H HE2 . LYS B 1 28 ? -4.639 3.492 -1.388 1.00 0.00 ? 28 LYS B HE2 27 ATOM 38071 H HE3 . LYS B 1 28 ? -4.790 2.844 -3.020 1.00 0.00 ? 28 LYS B HE3 27 ATOM 38072 H HZ1 . LYS B 1 28 ? -4.148 5.169 -3.771 1.00 0.00 ? 28 LYS B HZ1 27 ATOM 38073 H HZ2 . LYS B 1 28 ? -3.660 5.442 -2.174 1.00 0.00 ? 28 LYS B HZ2 27 ATOM 38074 H HZ3 . LYS B 1 28 ? -2.927 4.221 -3.086 1.00 0.00 ? 28 LYS B HZ3 27 ATOM 38075 N N . GLN B 1 29 ? -9.447 1.174 -4.843 1.00 0.00 ? 29 GLN B N 27 ATOM 38076 C CA . GLN B 1 29 ? -10.302 1.648 -5.921 1.00 0.00 ? 29 GLN B CA 27 ATOM 38077 C C . GLN B 1 29 ? -11.748 1.255 -5.660 1.00 0.00 ? 29 GLN B C 27 ATOM 38078 O O . GLN B 1 29 ? -12.664 2.058 -5.840 1.00 0.00 ? 29 GLN B O 27 ATOM 38079 C CB . GLN B 1 29 ? -9.837 1.075 -7.263 1.00 0.00 ? 29 GLN B CB 27 ATOM 38080 C CG . GLN B 1 29 ? -10.741 1.443 -8.427 1.00 0.00 ? 29 GLN B CG 27 ATOM 38081 C CD . GLN B 1 29 ? -10.521 0.557 -9.638 1.00 0.00 ? 29 GLN B CD 27 ATOM 38082 O OE1 . GLN B 1 29 ? -9.495 -0.114 -9.753 1.00 0.00 ? 29 GLN B OE1 27 ATOM 38083 N NE2 . GLN B 1 29 ? -11.487 0.549 -10.548 1.00 0.00 ? 29 GLN B NE2 27 ATOM 38084 H H . GLN B 1 29 ? -8.888 0.383 -4.989 1.00 0.00 ? 29 GLN B H 27 ATOM 38085 H HA . GLN B 1 29 ? -10.231 2.725 -5.953 1.00 0.00 ? 29 GLN B HA 27 ATOM 38086 H HB2 . GLN B 1 29 ? -8.845 1.446 -7.474 1.00 0.00 ? 29 GLN B HB2 27 ATOM 38087 H HB3 . GLN B 1 29 ? -9.800 -0.001 -7.188 1.00 0.00 ? 29 GLN B HB3 27 ATOM 38088 H HG2 . GLN B 1 29 ? -11.770 1.346 -8.112 1.00 0.00 ? 29 GLN B HG2 27 ATOM 38089 H HG3 . GLN B 1 29 ? -10.547 2.467 -8.708 1.00 0.00 ? 29 GLN B HG3 27 ATOM 38090 H HE21 . GLN B 1 29 ? -12.277 1.108 -10.391 1.00 0.00 ? 29 GLN B HE21 27 ATOM 38091 H HE22 . GLN B 1 29 ? -11.372 -0.015 -11.342 1.00 0.00 ? 29 GLN B HE22 27 ATOM 38092 N N . SER B 1 30 ? -11.946 0.015 -5.226 1.00 0.00 ? 30 SER B N 27 ATOM 38093 C CA . SER B 1 30 ? -13.285 -0.479 -4.930 1.00 0.00 ? 30 SER B CA 27 ATOM 38094 C C . SER B 1 30 ? -13.891 0.276 -3.749 1.00 0.00 ? 30 SER B C 27 ATOM 38095 O O . SER B 1 30 ? -15.054 0.680 -3.786 1.00 0.00 ? 30 SER B O 27 ATOM 38096 C CB . SER B 1 30 ? -13.244 -1.978 -4.626 1.00 0.00 ? 30 SER B CB 27 ATOM 38097 O OG . SER B 1 30 ? -12.962 -2.728 -5.794 1.00 0.00 ? 30 SER B OG 27 ATOM 38098 H H . SER B 1 30 ? -11.173 -0.579 -5.096 1.00 0.00 ? 30 SER B H 27 ATOM 38099 H HA . SER B 1 30 ? -13.901 -0.314 -5.802 1.00 0.00 ? 30 SER B HA 27 ATOM 38100 H HB2 . SER B 1 30 ? -12.475 -2.173 -3.893 1.00 0.00 ? 30 SER B HB2 27 ATOM 38101 H HB3 . SER B 1 30 ? -14.200 -2.290 -4.234 1.00 0.00 ? 30 SER B HB3 27 ATOM 38102 H HG . SER B 1 30 ? -13.043 -3.666 -5.600 1.00 0.00 ? 30 SER B HG 27 ATOM 38103 N N . ILE B 1 31 ? -13.092 0.464 -2.703 1.00 0.00 ? 31 ILE B N 27 ATOM 38104 C CA . ILE B 1 31 ? -13.546 1.170 -1.510 1.00 0.00 ? 31 ILE B CA 27 ATOM 38105 C C . ILE B 1 31 ? -13.782 2.648 -1.798 1.00 0.00 ? 31 ILE B C 27 ATOM 38106 O O . ILE B 1 31 ? -14.701 3.258 -1.252 1.00 0.00 ? 31 ILE B O 27 ATOM 38107 C CB . ILE B 1 31 ? -12.522 1.035 -0.368 1.00 0.00 ? 31 ILE B CB 27 ATOM 38108 C CG1 . ILE B 1 31 ? -12.995 1.767 0.883 1.00 0.00 ? 31 ILE B CG1 27 ATOM 38109 C CG2 . ILE B 1 31 ? -11.174 1.578 -0.804 1.00 0.00 ? 31 ILE B CG2 27 ATOM 38110 C CD1 . ILE B 1 31 ? -14.068 1.029 1.639 1.00 0.00 ? 31 ILE B CD1 27 ATOM 38111 H H . ILE B 1 31 ? -12.171 0.119 -2.734 1.00 0.00 ? 31 ILE B H 27 ATOM 38112 H HA . ILE B 1 31 ? -14.475 0.723 -1.190 1.00 0.00 ? 31 ILE B HA 27 ATOM 38113 H HB . ILE B 1 31 ? -12.412 -0.017 -0.143 1.00 0.00 ? 31 ILE B HB 27 ATOM 38114 H HG12 . ILE B 1 31 ? -12.154 1.899 1.550 1.00 0.00 ? 31 ILE B HG12 27 ATOM 38115 H HG13 . ILE B 1 31 ? -13.386 2.735 0.603 1.00 0.00 ? 31 ILE B HG13 27 ATOM 38116 H HG21 . ILE B 1 31 ? -10.875 1.108 -1.726 1.00 0.00 ? 31 ILE B HG21 27 ATOM 38117 H HG22 . ILE B 1 31 ? -11.247 2.645 -0.952 1.00 0.00 ? 31 ILE B HG22 27 ATOM 38118 H HG23 . ILE B 1 31 ? -10.439 1.372 -0.040 1.00 0.00 ? 31 ILE B HG23 27 ATOM 38119 H HD11 . ILE B 1 31 ? -14.685 0.479 0.945 1.00 0.00 ? 31 ILE B HD11 27 ATOM 38120 H HD12 . ILE B 1 31 ? -13.606 0.344 2.332 1.00 0.00 ? 31 ILE B HD12 27 ATOM 38121 H HD13 . ILE B 1 31 ? -14.677 1.736 2.182 1.00 0.00 ? 31 ILE B HD13 27 ATOM 38122 N N . LYS B 1 32 ? -12.952 3.216 -2.664 1.00 0.00 ? 32 LYS B N 27 ATOM 38123 C CA . LYS B 1 32 ? -13.077 4.621 -3.028 1.00 0.00 ? 32 LYS B CA 27 ATOM 38124 C C . LYS B 1 32 ? -14.264 4.838 -3.965 1.00 0.00 ? 32 LYS B C 27 ATOM 38125 O O . LYS B 1 32 ? -14.750 5.959 -4.111 1.00 0.00 ? 32 LYS B O 27 ATOM 38126 C CB . LYS B 1 32 ? -11.791 5.114 -3.693 1.00 0.00 ? 32 LYS B CB 27 ATOM 38127 C CG . LYS B 1 32 ? -10.730 5.569 -2.703 1.00 0.00 ? 32 LYS B CG 27 ATOM 38128 C CD . LYS B 1 32 ? -10.157 6.924 -3.084 1.00 0.00 ? 32 LYS B CD 27 ATOM 38129 C CE . LYS B 1 32 ? -8.834 6.783 -3.819 1.00 0.00 ? 32 LYS B CE 27 ATOM 38130 N NZ . LYS B 1 32 ? -9.030 6.479 -5.263 1.00 0.00 ? 32 LYS B NZ 27 ATOM 38131 H H . LYS B 1 32 ? -12.242 2.678 -3.071 1.00 0.00 ? 32 LYS B H 27 ATOM 38132 H HA . LYS B 1 32 ? -13.242 5.185 -2.122 1.00 0.00 ? 32 LYS B HA 27 ATOM 38133 H HB2 . LYS B 1 32 ? -11.377 4.315 -4.289 1.00 0.00 ? 32 LYS B HB2 27 ATOM 38134 H HB3 . LYS B 1 32 ? -12.030 5.946 -4.339 1.00 0.00 ? 32 LYS B HB3 27 ATOM 38135 H HG2 . LYS B 1 32 ? -11.175 5.640 -1.722 1.00 0.00 ? 32 LYS B HG2 27 ATOM 38136 H HG3 . LYS B 1 32 ? -9.931 4.841 -2.687 1.00 0.00 ? 32 LYS B HG3 27 ATOM 38137 H HD2 . LYS B 1 32 ? -10.860 7.434 -3.725 1.00 0.00 ? 32 LYS B HD2 27 ATOM 38138 H HD3 . LYS B 1 32 ? -10.001 7.503 -2.185 1.00 0.00 ? 32 LYS B HD3 27 ATOM 38139 H HE2 . LYS B 1 32 ? -8.284 7.708 -3.727 1.00 0.00 ? 32 LYS B HE2 27 ATOM 38140 H HE3 . LYS B 1 32 ? -8.268 5.983 -3.364 1.00 0.00 ? 32 LYS B HE3 27 ATOM 38141 H HZ1 . LYS B 1 32 ? -9.756 7.106 -5.665 1.00 0.00 ? 32 LYS B HZ1 27 ATOM 38142 H HZ2 . LYS B 1 32 ? -8.140 6.621 -5.782 1.00 0.00 ? 32 LYS B HZ2 27 ATOM 38143 H HZ3 . LYS B 1 32 ? -9.334 5.491 -5.382 1.00 0.00 ? 32 LYS B HZ3 27 ATOM 38144 N N . LYS B 1 33 ? -14.723 3.762 -4.600 1.00 0.00 ? 33 LYS B N 27 ATOM 38145 C CA . LYS B 1 33 ? -15.847 3.845 -5.523 1.00 0.00 ? 33 LYS B CA 27 ATOM 38146 C C . LYS B 1 33 ? -17.177 3.862 -4.776 1.00 0.00 ? 33 LYS B C 27 ATOM 38147 O O . LYS B 1 33 ? -18.088 4.608 -5.138 1.00 0.00 ? 33 LYS B O 27 ATOM 38148 C CB . LYS B 1 33 ? -15.816 2.672 -6.504 1.00 0.00 ? 33 LYS B CB 27 ATOM 38149 C CG . LYS B 1 33 ? -16.943 2.701 -7.523 1.00 0.00 ? 33 LYS B CG 27 ATOM 38150 C CD . LYS B 1 33 ? -17.886 1.523 -7.344 1.00 0.00 ? 33 LYS B CD 27 ATOM 38151 C CE . LYS B 1 33 ? -18.617 1.194 -8.634 1.00 0.00 ? 33 LYS B CE 27 ATOM 38152 N NZ . LYS B 1 33 ? -20.094 1.316 -8.484 1.00 0.00 ? 33 LYS B NZ 27 ATOM 38153 H H . LYS B 1 33 ? -14.295 2.895 -4.449 1.00 0.00 ? 33 LYS B H 27 ATOM 38154 H HA . LYS B 1 33 ? -15.751 4.766 -6.077 1.00 0.00 ? 33 LYS B HA 27 ATOM 38155 H HB2 . LYS B 1 33 ? -14.876 2.688 -7.037 1.00 0.00 ? 33 LYS B HB2 27 ATOM 38156 H HB3 . LYS B 1 33 ? -15.887 1.750 -5.947 1.00 0.00 ? 33 LYS B HB3 27 ATOM 38157 H HG2 . LYS B 1 33 ? -17.500 3.618 -7.404 1.00 0.00 ? 33 LYS B HG2 27 ATOM 38158 H HG3 . LYS B 1 33 ? -16.518 2.662 -8.517 1.00 0.00 ? 33 LYS B HG3 27 ATOM 38159 H HD2 . LYS B 1 33 ? -17.316 0.661 -7.035 1.00 0.00 ? 33 LYS B HD2 27 ATOM 38160 H HD3 . LYS B 1 33 ? -18.612 1.770 -6.582 1.00 0.00 ? 33 LYS B HD3 27 ATOM 38161 H HE2 . LYS B 1 33 ? -18.287 1.874 -9.405 1.00 0.00 ? 33 LYS B HE2 27 ATOM 38162 H HE3 . LYS B 1 33 ? -18.375 0.180 -8.922 1.00 0.00 ? 33 LYS B HE3 27 ATOM 38163 H HZ1 . LYS B 1 33 ? -20.321 1.922 -7.670 1.00 0.00 ? 33 LYS B HZ1 27 ATOM 38164 H HZ2 . LYS B 1 33 ? -20.508 1.734 -9.342 1.00 0.00 ? 33 LYS B HZ2 27 ATOM 38165 H HZ3 . LYS B 1 33 ? -20.517 0.377 -8.332 1.00 0.00 ? 33 LYS B HZ3 27 ATOM 38166 N N . LEU B 1 34 ? -17.290 3.043 -3.734 1.00 0.00 ? 34 LEU B N 27 ATOM 38167 C CA . LEU B 1 34 ? -18.518 2.984 -2.953 1.00 0.00 ? 34 LEU B CA 27 ATOM 38168 C C . LEU B 1 34 ? -18.576 4.133 -1.953 1.00 0.00 ? 34 LEU B C 27 ATOM 38169 O O . LEU B 1 34 ? -19.656 4.539 -1.521 1.00 0.00 ? 34 LEU B O 27 ATOM 38170 C CB . LEU B 1 34 ? -18.624 1.643 -2.229 1.00 0.00 ? 34 LEU B CB 27 ATOM 38171 C CG . LEU B 1 34 ? -19.084 0.472 -3.098 1.00 0.00 ? 34 LEU B CG 27 ATOM 38172 C CD1 . LEU B 1 34 ? -18.587 -0.846 -2.524 1.00 0.00 ? 34 LEU B CD1 27 ATOM 38173 C CD2 . LEU B 1 34 ? -20.599 0.463 -3.224 1.00 0.00 ? 34 LEU B CD2 27 ATOM 38174 H H . LEU B 1 34 ? -16.533 2.468 -3.481 1.00 0.00 ? 34 LEU B H 27 ATOM 38175 H HA . LEU B 1 34 ? -19.349 3.079 -3.637 1.00 0.00 ? 34 LEU B HA 27 ATOM 38176 H HB2 . LEU B 1 34 ? -17.654 1.402 -1.818 1.00 0.00 ? 34 LEU B HB2 27 ATOM 38177 H HB3 . LEU B 1 34 ? -19.324 1.753 -1.414 1.00 0.00 ? 34 LEU B HB3 27 ATOM 38178 H HG . LEU B 1 34 ? -18.666 0.582 -4.089 1.00 0.00 ? 34 LEU B HG 27 ATOM 38179 H HD11 . LEU B 1 34 ? -17.521 -0.788 -2.361 1.00 0.00 ? 34 LEU B HD11 27 ATOM 38180 H HD12 . LEU B 1 34 ? -19.086 -1.041 -1.587 1.00 0.00 ? 34 LEU B HD12 27 ATOM 38181 H HD13 . LEU B 1 34 ? -18.802 -1.645 -3.219 1.00 0.00 ? 34 LEU B HD13 27 ATOM 38182 H HD21 . LEU B 1 34 ? -21.033 0.971 -2.375 1.00 0.00 ? 34 LEU B HD21 27 ATOM 38183 H HD22 . LEU B 1 34 ? -20.888 0.971 -4.132 1.00 0.00 ? 34 LEU B HD22 27 ATOM 38184 H HD23 . LEU B 1 34 ? -20.952 -0.556 -3.251 1.00 0.00 ? 34 LEU B HD23 27 ATOM 38185 N N . LYS B 1 35 ? -17.410 4.659 -1.592 1.00 0.00 ? 35 LYS B N 27 ATOM 38186 C CA . LYS B 1 35 ? -17.330 5.766 -0.650 1.00 0.00 ? 35 LYS B CA 27 ATOM 38187 C C . LYS B 1 35 ? -17.484 7.098 -1.378 1.00 0.00 ? 35 LYS B C 27 ATOM 38188 O O . LYS B 1 35 ? -17.929 8.088 -0.794 1.00 0.00 ? 35 LYS B O 27 ATOM 38189 C CB . LYS B 1 35 ? -16.000 5.731 0.104 1.00 0.00 ? 35 LYS B CB 27 ATOM 38190 C CG . LYS B 1 35 ? -15.827 6.878 1.087 1.00 0.00 ? 35 LYS B CG 27 ATOM 38191 C CD . LYS B 1 35 ? -14.403 7.408 1.080 1.00 0.00 ? 35 LYS B CD 27 ATOM 38192 C CE . LYS B 1 35 ? -13.434 6.409 1.695 1.00 0.00 ? 35 LYS B CE 27 ATOM 38193 N NZ . LYS B 1 35 ? -12.016 6.806 1.479 1.00 0.00 ? 35 LYS B NZ 27 ATOM 38194 H H . LYS B 1 35 ? -16.583 4.298 -1.974 1.00 0.00 ? 35 LYS B H 27 ATOM 38195 H HA . LYS B 1 35 ? -18.140 5.661 0.056 1.00 0.00 ? 35 LYS B HA 27 ATOM 38196 H HB2 . LYS B 1 35 ? -15.935 4.803 0.652 1.00 0.00 ? 35 LYS B HB2 27 ATOM 38197 H HB3 . LYS B 1 35 ? -15.192 5.775 -0.612 1.00 0.00 ? 35 LYS B HB3 27 ATOM 38198 H HG2 . LYS B 1 35 ? -16.499 7.678 0.813 1.00 0.00 ? 35 LYS B HG2 27 ATOM 38199 H HG3 . LYS B 1 35 ? -16.067 6.527 2.080 1.00 0.00 ? 35 LYS B HG3 27 ATOM 38200 H HD2 . LYS B 1 35 ? -14.105 7.600 0.060 1.00 0.00 ? 35 LYS B HD2 27 ATOM 38201 H HD3 . LYS B 1 35 ? -14.367 8.326 1.647 1.00 0.00 ? 35 LYS B HD3 27 ATOM 38202 H HE2 . LYS B 1 35 ? -13.624 6.349 2.756 1.00 0.00 ? 35 LYS B HE2 27 ATOM 38203 H HE3 . LYS B 1 35 ? -13.602 5.441 1.245 1.00 0.00 ? 35 LYS B HE3 27 ATOM 38204 H HZ1 . LYS B 1 35 ? -11.838 7.742 1.896 1.00 0.00 ? 35 LYS B HZ1 27 ATOM 38205 H HZ2 . LYS B 1 35 ? -11.379 6.114 1.924 1.00 0.00 ? 35 LYS B HZ2 27 ATOM 38206 H HZ3 . LYS B 1 35 ? -11.807 6.848 0.461 1.00 0.00 ? 35 LYS B HZ3 27 ATOM 38207 N N . GLN B 1 36 ? -17.117 7.113 -2.656 1.00 0.00 ? 36 GLN B N 27 ATOM 38208 C CA . GLN B 1 36 ? -17.220 8.323 -3.464 1.00 0.00 ? 36 GLN B CA 27 ATOM 38209 C C . GLN B 1 36 ? -18.644 8.505 -3.978 1.00 0.00 ? 36 GLN B C 27 ATOM 38210 O O . GLN B 1 36 ? -19.124 9.629 -4.121 1.00 0.00 ? 36 GLN B O 27 ATOM 38211 C CB . GLN B 1 36 ? -16.244 8.263 -4.640 1.00 0.00 ? 36 GLN B CB 27 ATOM 38212 C CG . GLN B 1 36 ? -14.818 8.630 -4.266 1.00 0.00 ? 36 GLN B CG 27 ATOM 38213 C CD . GLN B 1 36 ? -13.840 8.406 -5.404 1.00 0.00 ? 36 GLN B CD 27 ATOM 38214 O OE1 . GLN B 1 36 ? -13.239 7.338 -5.519 1.00 0.00 ? 36 GLN B OE1 27 ATOM 38215 N NE2 . GLN B 1 36 ? -13.677 9.416 -6.250 1.00 0.00 ? 36 GLN B NE2 27 ATOM 38216 H H . GLN B 1 36 ? -16.773 6.292 -3.067 1.00 0.00 ? 36 GLN B H 27 ATOM 38217 H HA . GLN B 1 36 ? -16.965 9.164 -2.837 1.00 0.00 ? 36 GLN B HA 27 ATOM 38218 H HB2 . GLN B 1 36 ? -16.242 7.260 -5.041 1.00 0.00 ? 36 GLN B HB2 27 ATOM 38219 H HB3 . GLN B 1 36 ? -16.579 8.946 -5.406 1.00 0.00 ? 36 GLN B HB3 27 ATOM 38220 H HG2 . GLN B 1 36 ? -14.789 9.672 -3.988 1.00 0.00 ? 36 GLN B HG2 27 ATOM 38221 H HG3 . GLN B 1 36 ? -14.513 8.025 -3.424 1.00 0.00 ? 36 GLN B HG3 27 ATOM 38222 H HE21 . GLN B 1 36 ? -14.188 10.238 -6.095 1.00 0.00 ? 36 GLN B HE21 27 ATOM 38223 H HE22 . GLN B 1 36 ? -13.051 9.298 -6.995 1.00 0.00 ? 36 GLN B HE22 27 ATOM 38224 N N . SER B 1 37 ? -19.314 7.390 -4.250 1.00 0.00 ? 37 SER B N 27 ATOM 38225 C CA . SER B 1 37 ? -20.686 7.424 -4.746 1.00 0.00 ? 37 SER B CA 27 ATOM 38226 C C . SER B 1 37 ? -21.658 7.774 -3.623 1.00 0.00 ? 37 SER B C 27 ATOM 38227 O O . SER B 1 37 ? -22.741 8.304 -3.870 1.00 0.00 ? 37 SER B O 27 ATOM 38228 C CB . SER B 1 37 ? -21.062 6.076 -5.361 1.00 0.00 ? 37 SER B CB 27 ATOM 38229 O OG . SER B 1 37 ? -20.355 5.851 -6.569 1.00 0.00 ? 37 SER B OG 27 ATOM 38230 H H . SER B 1 37 ? -18.877 6.522 -4.114 1.00 0.00 ? 37 SER B H 27 ATOM 38231 H HA . SER B 1 37 ? -20.743 8.187 -5.507 1.00 0.00 ? 37 SER B HA 27 ATOM 38232 H HB2 . SER B 1 37 ? -20.821 5.285 -4.667 1.00 0.00 ? 37 SER B HB2 27 ATOM 38233 H HB3 . SER B 1 37 ? -22.122 6.061 -5.570 1.00 0.00 ? 37 SER B HB3 27 ATOM 38234 H HG . SER B 1 37 ? -20.459 4.935 -6.835 1.00 0.00 ? 37 SER B HG 27 ATOM 38235 N N . GLU B 1 38 ? -21.264 7.474 -2.389 1.00 0.00 ? 38 GLU B N 27 ATOM 38236 C CA . GLU B 1 38 ? -22.101 7.758 -1.230 1.00 0.00 ? 38 GLU B CA 27 ATOM 38237 C C . GLU B 1 38 ? -22.055 9.241 -0.876 1.00 0.00 ? 38 GLU B C 27 ATOM 38238 O O . GLU B 1 38 ? -23.002 9.783 -0.306 1.00 0.00 ? 38 GLU B O 27 ATOM 38239 C CB . GLU B 1 38 ? -21.648 6.922 -0.031 1.00 0.00 ? 38 GLU B CB 27 ATOM 38240 C CG . GLU B 1 38 ? -22.440 7.197 1.236 1.00 0.00 ? 38 GLU B CG 27 ATOM 38241 C CD . GLU B 1 38 ? -21.615 7.000 2.493 1.00 0.00 ? 38 GLU B CD 27 ATOM 38242 O OE1 . GLU B 1 38 ? -20.737 6.112 2.494 1.00 0.00 ? 38 GLU B OE1 27 ATOM 38243 O OE2 . GLU B 1 38 ? -21.848 7.734 3.477 1.00 0.00 ? 38 GLU B OE2 27 ATOM 38244 H H . GLU B 1 38 ? -20.388 7.051 -2.256 1.00 0.00 ? 38 GLU B H 27 ATOM 38245 H HA . GLU B 1 38 ? -23.116 7.490 -1.481 1.00 0.00 ? 38 GLU B HA 27 ATOM 38246 H HB2 . GLU B 1 38 ? -21.753 5.875 -0.276 1.00 0.00 ? 38 GLU B HB2 27 ATOM 38247 H HB3 . GLU B 1 38 ? -20.607 7.132 0.168 1.00 0.00 ? 38 GLU B HB3 27 ATOM 38248 H HG2 . GLU B 1 38 ? -22.791 8.218 1.211 1.00 0.00 ? 38 GLU B HG2 27 ATOM 38249 H HG3 . GLU B 1 38 ? -23.286 6.527 1.270 1.00 0.00 ? 38 GLU B HG3 27 ATOM 38250 N N . ASP B 1 39 ? -20.949 9.892 -1.221 1.00 0.00 ? 39 ASP B N 27 ATOM 38251 C CA . ASP B 1 39 ? -20.779 11.313 -0.940 1.00 0.00 ? 39 ASP B CA 27 ATOM 38252 C C . ASP B 1 39 ? -20.314 12.061 -2.186 1.00 0.00 ? 39 ASP B C 27 ATOM 38253 O O . ASP B 1 39 ? -19.654 13.095 -2.090 1.00 0.00 ? 39 ASP B O 27 ATOM 38254 C CB . ASP B 1 39 ? -19.774 11.514 0.195 1.00 0.00 ? 39 ASP B CB 27 ATOM 38255 C CG . ASP B 1 39 ? -20.149 12.671 1.100 1.00 0.00 ? 39 ASP B CG 27 ATOM 38256 O OD1 . ASP B 1 39 ? -21.061 13.441 0.734 1.00 0.00 ? 39 ASP B OD1 27 ATOM 38257 O OD2 . ASP B 1 39 ? -19.530 12.807 2.176 1.00 0.00 ? 39 ASP B OD2 27 ATOM 38258 H H . ASP B 1 39 ? -20.229 9.405 -1.675 1.00 0.00 ? 39 ASP B H 27 ATOM 38259 H HA . ASP B 1 39 ? -21.737 11.706 -0.636 1.00 0.00 ? 39 ASP B HA 27 ATOM 38260 H HB2 . ASP B 1 39 ? -19.729 10.614 0.791 1.00 0.00 ? 39 ASP B HB2 27 ATOM 38261 H HB3 . ASP B 1 39 ? -18.799 11.711 -0.226 1.00 0.00 ? 39 ASP B HB3 27 ATOM 38262 N N . ASP B 1 40 ? -20.663 11.531 -3.353 1.00 0.00 ? 40 ASP B N 27 ATOM 38263 C CA . ASP B 1 40 ? -20.281 12.148 -4.618 1.00 0.00 ? 40 ASP B CA 27 ATOM 38264 C C . ASP B 1 40 ? -20.825 13.570 -4.715 1.00 0.00 ? 40 ASP B C 27 ATOM 38265 O O . ASP B 1 40 ? -21.869 13.886 -4.145 1.00 0.00 ? 40 ASP B O 27 ATOM 38266 C CB . ASP B 1 40 ? -20.792 11.313 -5.793 1.00 0.00 ? 40 ASP B CB 27 ATOM 38267 C CG . ASP B 1 40 ? -19.838 11.327 -6.971 1.00 0.00 ? 40 ASP B CG 27 ATOM 38268 O OD1 . ASP B 1 40 ? -19.141 12.346 -7.158 1.00 0.00 ? 40 ASP B OD1 27 ATOM 38269 O OD2 . ASP B 1 40 ? -19.788 10.319 -7.706 1.00 0.00 ? 40 ASP B OD2 27 ATOM 38270 H H . ASP B 1 40 ? -21.189 10.704 -3.365 1.00 0.00 ? 40 ASP B H 27 ATOM 38271 H HA . ASP B 1 40 ? -19.203 12.185 -4.657 1.00 0.00 ? 40 ASP B HA 27 ATOM 38272 H HB2 . ASP B 1 40 ? -20.921 10.290 -5.470 1.00 0.00 ? 40 ASP B HB2 27 ATOM 38273 H HB3 . ASP B 1 40 ? -21.744 11.706 -6.118 1.00 0.00 ? 40 ASP B HB3 27 ATOM 38274 N N . ASP B 1 41 ? -20.110 14.423 -5.441 1.00 0.00 ? 41 ASP B N 27 ATOM 38275 C CA . ASP B 1 41 ? -20.520 15.812 -5.613 1.00 0.00 ? 41 ASP B CA 27 ATOM 38276 C C . ASP B 1 41 ? -19.801 16.449 -6.797 1.00 0.00 ? 41 ASP B C 27 ATOM 38277 O O . ASP B 1 41 ? -20.456 17.197 -7.553 1.00 0.00 ? 41 ASP B O 27 ATOM 38278 C CB . ASP B 1 41 ? -20.238 16.611 -4.340 1.00 0.00 ? 41 ASP B CB 27 ATOM 38279 C CG . ASP B 1 41 ? -21.507 17.085 -3.661 1.00 0.00 ? 41 ASP B CG 27 ATOM 38280 O OD1 . ASP B 1 41 ? -22.545 17.189 -4.348 1.00 0.00 ? 41 ASP B OD1 27 ATOM 38281 O OD2 . ASP B 1 41 ? -21.465 17.352 -2.442 1.00 0.00 ? 41 ASP B OD2 27 ATOM 38282 O OXT . ASP B 1 41 ? -18.588 16.195 -6.959 1.00 0.00 ? 41 ASP B OXT 27 ATOM 38283 H H . ASP B 1 41 ? -19.285 14.112 -5.871 1.00 0.00 ? 41 ASP B H 27 ATOM 38284 H HA . ASP B 1 41 ? -21.583 15.821 -5.805 1.00 0.00 ? 41 ASP B HA 27 ATOM 38285 H HB2 . ASP B 1 41 ? -19.692 15.989 -3.645 1.00 0.00 ? 41 ASP B HB2 27 ATOM 38286 H HB3 . ASP B 1 41 ? -19.640 17.475 -4.590 1.00 0.00 ? 41 ASP B HB3 27 ATOM 38287 N N . ALA A 1 1 ? -23.533 14.904 2.343 1.00 0.00 ? 1 ALA A N 28 ATOM 38288 C CA . ALA A 1 1 ? -23.383 13.451 2.068 1.00 0.00 ? 1 ALA A CA 28 ATOM 38289 C C . ALA A 1 1 ? -23.063 12.682 3.345 1.00 0.00 ? 1 ALA A C 28 ATOM 38290 O O . ALA A 1 1 ? -22.354 13.181 4.220 1.00 0.00 ? 1 ALA A O 28 ATOM 38291 C CB . ALA A 1 1 ? -22.296 13.221 1.028 1.00 0.00 ? 1 ALA A CB 28 ATOM 38292 H H1 . ALA A 1 1 ? -22.666 15.229 2.817 1.00 0.00 ? 1 ALA A H1 28 ATOM 38293 H H2 . ALA A 1 1 ? -23.666 15.386 1.431 1.00 0.00 ? 1 ALA A H2 28 ATOM 38294 H H3 . ALA A 1 1 ? -24.362 15.026 2.958 1.00 0.00 ? 1 ALA A H3 28 ATOM 38295 H HA . ALA A 1 1 ? -24.315 13.083 1.665 1.00 0.00 ? 1 ALA A HA 28 ATOM 38296 H HB1 . ALA A 1 1 ? -21.416 12.820 1.510 1.00 0.00 ? 1 ALA A HB1 28 ATOM 38297 H HB2 . ALA A 1 1 ? -22.049 14.159 0.552 1.00 0.00 ? 1 ALA A HB2 28 ATOM 38298 H HB3 . ALA A 1 1 ? -22.650 12.522 0.286 1.00 0.00 ? 1 ALA A HB3 28 ATOM 38299 N N . LEU A 1 2 ? -23.589 11.467 3.446 1.00 0.00 ? 2 LEU A N 28 ATOM 38300 C CA . LEU A 1 2 ? -23.359 10.629 4.617 1.00 0.00 ? 2 LEU A CA 28 ATOM 38301 C C . LEU A 1 2 ? -23.516 9.153 4.268 1.00 0.00 ? 2 LEU A C 28 ATOM 38302 O O . LEU A 1 2 ? -22.531 8.441 4.077 1.00 0.00 ? 2 LEU A O 28 ATOM 38303 C CB . LEU A 1 2 ? -24.328 11.005 5.738 1.00 0.00 ? 2 LEU A CB 28 ATOM 38304 C CG . LEU A 1 2 ? -23.766 11.972 6.783 1.00 0.00 ? 2 LEU A CG 28 ATOM 38305 C CD1 . LEU A 1 2 ? -24.276 13.383 6.532 1.00 0.00 ? 2 LEU A CD1 28 ATOM 38306 C CD2 . LEU A 1 2 ? -24.134 11.513 8.185 1.00 0.00 ? 2 LEU A CD2 28 ATOM 38307 H H . LEU A 1 2 ? -24.146 11.125 2.716 1.00 0.00 ? 2 LEU A H 28 ATOM 38308 H HA . LEU A 1 2 ? -22.348 10.801 4.954 1.00 0.00 ? 2 LEU A HA 28 ATOM 38309 H HB2 . LEU A 1 2 ? -25.203 11.458 5.293 1.00 0.00 ? 2 LEU A HB2 28 ATOM 38310 H HB3 . LEU A 1 2 ? -24.630 10.101 6.245 1.00 0.00 ? 2 LEU A HB3 28 ATOM 38311 H HG . LEU A 1 2 ? -22.689 11.988 6.706 1.00 0.00 ? 2 LEU A HG 28 ATOM 38312 H HD11 . LEU A 1 2 ? -25.167 13.342 5.923 1.00 0.00 ? 2 LEU A HD11 28 ATOM 38313 H HD12 . LEU A 1 2 ? -24.506 13.855 7.475 1.00 0.00 ? 2 LEU A HD12 28 ATOM 38314 H HD13 . LEU A 1 2 ? -23.516 13.955 6.020 1.00 0.00 ? 2 LEU A HD13 28 ATOM 38315 H HD21 . LEU A 1 2 ? -24.104 10.434 8.229 1.00 0.00 ? 2 LEU A HD21 28 ATOM 38316 H HD22 . LEU A 1 2 ? -23.428 11.921 8.894 1.00 0.00 ? 2 LEU A HD22 28 ATOM 38317 H HD23 . LEU A 1 2 ? -25.128 11.855 8.428 1.00 0.00 ? 2 LEU A HD23 28 ATOM 38318 N N . LYS A 1 3 ? -24.763 8.699 4.185 1.00 0.00 ? 3 LYS A N 28 ATOM 38319 C CA . LYS A 1 3 ? -25.050 7.307 3.858 1.00 0.00 ? 3 LYS A CA 28 ATOM 38320 C C . LYS A 1 3 ? -24.507 6.372 4.934 1.00 0.00 ? 3 LYS A C 28 ATOM 38321 O O . LYS A 1 3 ? -23.444 6.618 5.505 1.00 0.00 ? 3 LYS A O 28 ATOM 38322 C CB . LYS A 1 3 ? -24.446 6.946 2.499 1.00 0.00 ? 3 LYS A CB 28 ATOM 38323 C CG . LYS A 1 3 ? -25.390 7.186 1.332 1.00 0.00 ? 3 LYS A CG 28 ATOM 38324 C CD . LYS A 1 3 ? -25.064 8.483 0.609 1.00 0.00 ? 3 LYS A CD 28 ATOM 38325 C CE . LYS A 1 3 ? -26.310 9.321 0.377 1.00 0.00 ? 3 LYS A CE 28 ATOM 38326 N NZ . LYS A 1 3 ? -26.315 9.948 -0.974 1.00 0.00 ? 3 LYS A NZ 28 ATOM 38327 H H . LYS A 1 3 ? -25.508 9.315 4.348 1.00 0.00 ? 3 LYS A H 28 ATOM 38328 H HA . LYS A 1 3 ? -26.122 7.193 3.808 1.00 0.00 ? 3 LYS A HA 28 ATOM 38329 H HB2 . LYS A 1 3 ? -23.558 7.540 2.344 1.00 0.00 ? 3 LYS A HB2 28 ATOM 38330 H HB3 . LYS A 1 3 ? -24.175 5.901 2.506 1.00 0.00 ? 3 LYS A HB3 28 ATOM 38331 H HG2 . LYS A 1 3 ? -25.301 6.365 0.636 1.00 0.00 ? 3 LYS A HG2 28 ATOM 38332 H HG3 . LYS A 1 3 ? -26.403 7.236 1.705 1.00 0.00 ? 3 LYS A HG3 28 ATOM 38333 H HD2 . LYS A 1 3 ? -24.365 9.051 1.206 1.00 0.00 ? 3 LYS A HD2 28 ATOM 38334 H HD3 . LYS A 1 3 ? -24.616 8.247 -0.346 1.00 0.00 ? 3 LYS A HD3 28 ATOM 38335 H HE2 . LYS A 1 3 ? -27.179 8.686 0.472 1.00 0.00 ? 3 LYS A HE2 28 ATOM 38336 H HE3 . LYS A 1 3 ? -26.349 10.098 1.126 1.00 0.00 ? 3 LYS A HE3 28 ATOM 38337 H HZ1 . LYS A 1 3 ? -25.469 10.541 -1.096 1.00 0.00 ? 3 LYS A HZ1 28 ATOM 38338 H HZ2 . LYS A 1 3 ? -26.319 9.213 -1.710 1.00 0.00 ? 3 LYS A HZ2 28 ATOM 38339 H HZ3 . LYS A 1 3 ? -27.162 10.542 -1.089 1.00 0.00 ? 3 LYS A HZ3 28 ATOM 38340 N N . LYS A 1 4 ? -25.242 5.300 5.206 1.00 0.00 ? 4 LYS A N 28 ATOM 38341 C CA . LYS A 1 4 ? -24.836 4.327 6.213 1.00 0.00 ? 4 LYS A CA 28 ATOM 38342 C C . LYS A 1 4 ? -24.462 2.999 5.566 1.00 0.00 ? 4 LYS A C 28 ATOM 38343 O O . LYS A 1 4 ? -23.406 2.434 5.851 1.00 0.00 ? 4 LYS A O 28 ATOM 38344 C CB . LYS A 1 4 ? -25.956 4.114 7.234 1.00 0.00 ? 4 LYS A CB 28 ATOM 38345 C CG . LYS A 1 4 ? -27.352 4.221 6.641 1.00 0.00 ? 4 LYS A CG 28 ATOM 38346 C CD . LYS A 1 4 ? -28.424 4.054 7.705 1.00 0.00 ? 4 LYS A CD 28 ATOM 38347 C CE . LYS A 1 4 ? -29.319 5.280 7.791 1.00 0.00 ? 4 LYS A CE 28 ATOM 38348 N NZ . LYS A 1 4 ? -29.992 5.383 9.115 1.00 0.00 ? 4 LYS A NZ 28 ATOM 38349 H H . LYS A 1 4 ? -26.080 5.160 4.717 1.00 0.00 ? 4 LYS A H 28 ATOM 38350 H HA . LYS A 1 4 ? -23.968 4.722 6.722 1.00 0.00 ? 4 LYS A HA 28 ATOM 38351 H HB2 . LYS A 1 4 ? -25.848 3.131 7.668 1.00 0.00 ? 4 LYS A HB2 28 ATOM 38352 H HB3 . LYS A 1 4 ? -25.862 4.854 8.015 1.00 0.00 ? 4 LYS A HB3 28 ATOM 38353 H HG2 . LYS A 1 4 ? -27.464 5.192 6.181 1.00 0.00 ? 4 LYS A HG2 28 ATOM 38354 H HG3 . LYS A 1 4 ? -27.475 3.452 5.892 1.00 0.00 ? 4 LYS A HG3 28 ATOM 38355 H HD2 . LYS A 1 4 ? -29.030 3.194 7.460 1.00 0.00 ? 4 LYS A HD2 28 ATOM 38356 H HD3 . LYS A 1 4 ? -27.947 3.899 8.661 1.00 0.00 ? 4 LYS A HD3 28 ATOM 38357 H HE2 . LYS A 1 4 ? -28.716 6.162 7.633 1.00 0.00 ? 4 LYS A HE2 28 ATOM 38358 H HE3 . LYS A 1 4 ? -30.071 5.215 7.018 1.00 0.00 ? 4 LYS A HE3 28 ATOM 38359 H HZ1 . LYS A 1 4 ? -29.956 4.468 9.607 1.00 0.00 ? 4 LYS A HZ1 28 ATOM 38360 H HZ2 . LYS A 1 4 ? -29.517 6.099 9.702 1.00 0.00 ? 4 LYS A HZ2 28 ATOM 38361 H HZ3 . LYS A 1 4 ? -30.987 5.658 8.991 1.00 0.00 ? 4 LYS A HZ3 28 ATOM 38362 N N . HIS A 1 5 ? -25.333 2.507 4.692 1.00 0.00 ? 5 HIS A N 28 ATOM 38363 C CA . HIS A 1 5 ? -25.091 1.244 4.002 1.00 0.00 ? 5 HIS A CA 28 ATOM 38364 C C . HIS A 1 5 ? -23.724 1.255 3.326 1.00 0.00 ? 5 HIS A C 28 ATOM 38365 O O . HIS A 1 5 ? -22.962 0.290 3.421 1.00 0.00 ? 5 HIS A O 28 ATOM 38366 C CB . HIS A 1 5 ? -26.186 0.987 2.965 1.00 0.00 ? 5 HIS A CB 28 ATOM 38367 C CG . HIS A 1 5 ? -26.647 2.223 2.257 1.00 0.00 ? 5 HIS A CG 28 ATOM 38368 N ND1 . HIS A 1 5 ? -27.826 2.872 2.563 1.00 0.00 ? 5 HIS A ND1 28 ATOM 38369 C CD2 . HIS A 1 5 ? -26.079 2.935 1.253 1.00 0.00 ? 5 HIS A CD2 28 ATOM 38370 C CE1 . HIS A 1 5 ? -27.964 3.926 1.779 1.00 0.00 ? 5 HIS A CE1 28 ATOM 38371 N NE2 . HIS A 1 5 ? -26.918 3.985 0.976 1.00 0.00 ? 5 HIS A NE2 28 ATOM 38372 H H . HIS A 1 5 ? -26.155 3.004 4.505 1.00 0.00 ? 5 HIS A H 28 ATOM 38373 H HA . HIS A 1 5 ? -25.111 0.455 4.738 1.00 0.00 ? 5 HIS A HA 28 ATOM 38374 H HB2 . HIS A 1 5 ? -25.812 0.299 2.220 1.00 0.00 ? 5 HIS A HB2 28 ATOM 38375 H HB3 . HIS A 1 5 ? -27.041 0.546 3.456 1.00 0.00 ? 5 HIS A HB3 28 ATOM 38376 H HD1 . HIS A 1 5 ? -28.466 2.599 3.253 1.00 0.00 ? 5 HIS A HD1 28 ATOM 38377 H HD2 . HIS A 1 5 ? -25.141 2.716 0.763 1.00 0.00 ? 5 HIS A HD2 28 ATOM 38378 H HE1 . HIS A 1 5 ? -28.790 4.619 1.792 1.00 0.00 ? 5 HIS A HE1 28 ATOM 38379 H HE2 . HIS A 1 5 ? -26.766 4.672 0.293 1.00 0.00 ? 5 HIS A HE2 28 ATOM 38380 N N . HIS A 1 6 ? -23.418 2.356 2.648 1.00 0.00 ? 6 HIS A N 28 ATOM 38381 C CA . HIS A 1 6 ? -22.142 2.495 1.961 1.00 0.00 ? 6 HIS A CA 28 ATOM 38382 C C . HIS A 1 6 ? -20.992 2.491 2.958 1.00 0.00 ? 6 HIS A C 28 ATOM 38383 O O . HIS A 1 6 ? -20.047 1.725 2.813 1.00 0.00 ? 6 HIS A O 28 ATOM 38384 C CB . HIS A 1 6 ? -22.115 3.782 1.132 1.00 0.00 ? 6 HIS A CB 28 ATOM 38385 C CG . HIS A 1 6 ? -22.378 3.561 -0.325 1.00 0.00 ? 6 HIS A CG 28 ATOM 38386 N ND1 . HIS A 1 6 ? -23.201 2.562 -0.800 1.00 0.00 ? 6 HIS A ND1 28 ATOM 38387 C CD2 . HIS A 1 6 ? -21.922 4.221 -1.416 1.00 0.00 ? 6 HIS A CD2 28 ATOM 38388 C CE1 . HIS A 1 6 ? -23.240 2.616 -2.120 1.00 0.00 ? 6 HIS A CE1 28 ATOM 38389 N NE2 . HIS A 1 6 ? -22.474 3.613 -2.517 1.00 0.00 ? 6 HIS A NE2 28 ATOM 38390 H H . HIS A 1 6 ? -24.065 3.092 2.614 1.00 0.00 ? 6 HIS A H 28 ATOM 38391 H HA . HIS A 1 6 ? -22.027 1.646 1.302 1.00 0.00 ? 6 HIS A HA 28 ATOM 38392 H HB2 . HIS A 1 6 ? -22.869 4.457 1.506 1.00 0.00 ? 6 HIS A HB2 28 ATOM 38393 H HB3 . HIS A 1 6 ? -21.144 4.244 1.230 1.00 0.00 ? 6 HIS A HB3 28 ATOM 38394 H HD1 . HIS A 1 6 ? -23.685 1.909 -0.251 1.00 0.00 ? 6 HIS A HD1 28 ATOM 38395 H HD2 . HIS A 1 6 ? -21.250 5.068 -1.420 1.00 0.00 ? 6 HIS A HD2 28 ATOM 38396 H HE1 . HIS A 1 6 ? -23.804 1.957 -2.763 1.00 0.00 ? 6 HIS A HE1 28 ATOM 38397 H HE2 . HIS A 1 6 ? -22.324 3.877 -3.449 1.00 0.00 ? 6 HIS A HE2 28 ATOM 38398 N N . GLU A 1 7 ? -21.084 3.345 3.971 1.00 0.00 ? 7 GLU A N 28 ATOM 38399 C CA . GLU A 1 7 ? -20.052 3.424 4.996 1.00 0.00 ? 7 GLU A CA 28 ATOM 38400 C C . GLU A 1 7 ? -19.832 2.061 5.652 1.00 0.00 ? 7 GLU A C 28 ATOM 38401 O O . GLU A 1 7 ? -18.785 1.815 6.248 1.00 0.00 ? 7 GLU A O 28 ATOM 38402 C CB . GLU A 1 7 ? -20.435 4.459 6.056 1.00 0.00 ? 7 GLU A CB 28 ATOM 38403 C CG . GLU A 1 7 ? -19.469 5.629 6.141 1.00 0.00 ? 7 GLU A CG 28 ATOM 38404 C CD . GLU A 1 7 ? -19.631 6.426 7.421 1.00 0.00 ? 7 GLU A CD 28 ATOM 38405 O OE1 . GLU A 1 7 ? -20.618 7.184 7.528 1.00 0.00 ? 7 GLU A OE1 28 ATOM 38406 O OE2 . GLU A 1 7 ? -18.772 6.292 8.317 1.00 0.00 ? 7 GLU A OE2 28 ATOM 38407 H H . GLU A 1 7 ? -21.862 3.930 4.034 1.00 0.00 ? 7 GLU A H 28 ATOM 38408 H HA . GLU A 1 7 ? -19.133 3.734 4.519 1.00 0.00 ? 7 GLU A HA 28 ATOM 38409 H HB2 . GLU A 1 7 ? -21.416 4.847 5.826 1.00 0.00 ? 7 GLU A HB2 28 ATOM 38410 H HB3 . GLU A 1 7 ? -20.466 3.975 7.021 1.00 0.00 ? 7 GLU A HB3 28 ATOM 38411 H HG2 . GLU A 1 7 ? -18.459 5.250 6.098 1.00 0.00 ? 7 GLU A HG2 28 ATOM 38412 H HG3 . GLU A 1 7 ? -19.643 6.286 5.301 1.00 0.00 ? 7 GLU A HG3 28 ATOM 38413 N N . ASN A 1 8 ? -20.825 1.179 5.536 1.00 0.00 ? 8 ASN A N 28 ATOM 38414 C CA . ASN A 1 8 ? -20.729 -0.157 6.115 1.00 0.00 ? 8 ASN A CA 28 ATOM 38415 C C . ASN A 1 8 ? -19.768 -1.020 5.305 1.00 0.00 ? 8 ASN A C 28 ATOM 38416 O O . ASN A 1 8 ? -18.748 -1.482 5.822 1.00 0.00 ? 8 ASN A O 28 ATOM 38417 C CB . ASN A 1 8 ? -22.108 -0.816 6.169 1.00 0.00 ? 8 ASN A CB 28 ATOM 38418 C CG . ASN A 1 8 ? -23.114 0.010 6.947 1.00 0.00 ? 8 ASN A CG 28 ATOM 38419 O OD1 . ASN A 1 8 ? -22.745 0.918 7.692 1.00 0.00 ? 8 ASN A OD1 28 ATOM 38420 N ND2 . ASN A 1 8 ? -24.393 -0.303 6.777 1.00 0.00 ? 8 ASN A ND2 28 ATOM 38421 H H . ASN A 1 8 ? -21.636 1.429 5.049 1.00 0.00 ? 8 ASN A H 28 ATOM 38422 H HA . ASN A 1 8 ? -20.345 -0.057 7.119 1.00 0.00 ? 8 ASN A HA 28 ATOM 38423 H HB2 . ASN A 1 8 ? -22.479 -0.944 5.162 1.00 0.00 ? 8 ASN A HB2 28 ATOM 38424 H HB3 . ASN A 1 8 ? -22.019 -1.783 6.642 1.00 0.00 ? 8 ASN A HB3 28 ATOM 38425 H HD21 . ASN A 1 8 ? -24.614 -1.038 6.168 1.00 0.00 ? 8 ASN A HD21 28 ATOM 38426 H HD22 . ASN A 1 8 ? -25.065 0.215 7.268 1.00 0.00 ? 8 ASN A HD22 28 ATOM 38427 N N . GLU A 1 9 ? -20.085 -1.218 4.028 1.00 0.00 ? 9 GLU A N 28 ATOM 38428 C CA . GLU A 1 9 ? -19.228 -2.011 3.151 1.00 0.00 ? 9 GLU A CA 28 ATOM 38429 C C . GLU A 1 9 ? -17.937 -1.253 2.824 1.00 0.00 ? 9 GLU A C 28 ATOM 38430 O O . GLU A 1 9 ? -17.009 -1.810 2.235 1.00 0.00 ? 9 GLU A O 28 ATOM 38431 C CB . GLU A 1 9 ? -19.969 -2.360 1.859 1.00 0.00 ? 9 GLU A CB 28 ATOM 38432 C CG . GLU A 1 9 ? -21.391 -2.848 2.086 1.00 0.00 ? 9 GLU A CG 28 ATOM 38433 C CD . GLU A 1 9 ? -22.088 -3.231 0.795 1.00 0.00 ? 9 GLU A CD 28 ATOM 38434 O OE1 . GLU A 1 9 ? -21.981 -2.467 -0.187 1.00 0.00 ? 9 GLU A OE1 28 ATOM 38435 O OE2 . GLU A 1 9 ? -22.742 -4.295 0.766 1.00 0.00 ? 9 GLU A OE2 28 ATOM 38436 H H . GLU A 1 9 ? -20.904 -0.808 3.663 1.00 0.00 ? 9 GLU A H 28 ATOM 38437 H HA . GLU A 1 9 ? -18.975 -2.923 3.669 1.00 0.00 ? 9 GLU A HA 28 ATOM 38438 H HB2 . GLU A 1 9 ? -20.009 -1.482 1.231 1.00 0.00 ? 9 GLU A HB2 28 ATOM 38439 H HB3 . GLU A 1 9 ? -19.424 -3.137 1.343 1.00 0.00 ? 9 GLU A HB3 28 ATOM 38440 H HG2 . GLU A 1 9 ? -21.363 -3.712 2.732 1.00 0.00 ? 9 GLU A HG2 28 ATOM 38441 H HG3 . GLU A 1 9 ? -21.955 -2.060 2.563 1.00 0.00 ? 9 GLU A HG3 28 ATOM 38442 N N . ILE A 1 10 ? -17.886 0.018 3.220 1.00 0.00 ? 10 ILE A N 28 ATOM 38443 C CA . ILE A 1 10 ? -16.729 0.862 2.985 1.00 0.00 ? 10 ILE A CA 28 ATOM 38444 C C . ILE A 1 10 ? -15.778 0.784 4.175 1.00 0.00 ? 10 ILE A C 28 ATOM 38445 O O . ILE A 1 10 ? -14.563 0.913 4.025 1.00 0.00 ? 10 ILE A O 28 ATOM 38446 C CB . ILE A 1 10 ? -17.179 2.326 2.738 1.00 0.00 ? 10 ILE A CB 28 ATOM 38447 C CG1 . ILE A 1 10 ? -17.868 2.439 1.378 1.00 0.00 ? 10 ILE A CG1 28 ATOM 38448 C CG2 . ILE A 1 10 ? -16.017 3.306 2.821 1.00 0.00 ? 10 ILE A CG2 28 ATOM 38449 C CD1 . ILE A 1 10 ? -18.681 3.705 1.217 1.00 0.00 ? 10 ILE A CD1 28 ATOM 38450 H H . ILE A 1 10 ? -18.647 0.400 3.691 1.00 0.00 ? 10 ILE A H 28 ATOM 38451 H HA . ILE A 1 10 ? -16.221 0.502 2.102 1.00 0.00 ? 10 ILE A HA 28 ATOM 38452 H HB . ILE A 1 10 ? -17.888 2.590 3.508 1.00 0.00 ? 10 ILE A HB 28 ATOM 38453 H HG12 . ILE A 1 10 ? -17.118 2.427 0.601 1.00 0.00 ? 10 ILE A HG12 28 ATOM 38454 H HG13 . ILE A 1 10 ? -18.531 1.598 1.245 1.00 0.00 ? 10 ILE A HG13 28 ATOM 38455 H HG21 . ILE A 1 10 ? -15.484 3.157 3.748 1.00 0.00 ? 10 ILE A HG21 28 ATOM 38456 H HG22 . ILE A 1 10 ? -15.348 3.144 1.990 1.00 0.00 ? 10 ILE A HG22 28 ATOM 38457 H HG23 . ILE A 1 10 ? -16.401 4.316 2.784 1.00 0.00 ? 10 ILE A HG23 28 ATOM 38458 H HD11 . ILE A 1 10 ? -19.201 3.918 2.139 1.00 0.00 ? 10 ILE A HD11 28 ATOM 38459 H HD12 . ILE A 1 10 ? -18.023 4.527 0.978 1.00 0.00 ? 10 ILE A HD12 28 ATOM 38460 H HD13 . ILE A 1 10 ? -19.397 3.573 0.420 1.00 0.00 ? 10 ILE A HD13 28 ATOM 38461 N N . SER A 1 11 ? -16.343 0.553 5.354 1.00 0.00 ? 11 SER A N 28 ATOM 38462 C CA . SER A 1 11 ? -15.550 0.435 6.566 1.00 0.00 ? 11 SER A CA 28 ATOM 38463 C C . SER A 1 11 ? -14.908 -0.943 6.625 1.00 0.00 ? 11 SER A C 28 ATOM 38464 O O . SER A 1 11 ? -13.823 -1.114 7.180 1.00 0.00 ? 11 SER A O 28 ATOM 38465 C CB . SER A 1 11 ? -16.419 0.668 7.804 1.00 0.00 ? 11 SER A CB 28 ATOM 38466 O OG . SER A 1 11 ? -16.248 1.982 8.306 1.00 0.00 ? 11 SER A OG 28 ATOM 38467 H H . SER A 1 11 ? -17.317 0.445 5.406 1.00 0.00 ? 11 SER A H 28 ATOM 38468 H HA . SER A 1 11 ? -14.771 1.182 6.529 1.00 0.00 ? 11 SER A HA 28 ATOM 38469 H HB2 . SER A 1 11 ? -17.457 0.528 7.543 1.00 0.00 ? 11 SER A HB2 28 ATOM 38470 H HB3 . SER A 1 11 ? -16.142 -0.037 8.573 1.00 0.00 ? 11 SER A HB3 28 ATOM 38471 H HG . SER A 1 11 ? -15.367 2.072 8.676 1.00 0.00 ? 11 SER A HG 28 ATOM 38472 N N . HIS A 1 12 ? -15.584 -1.921 6.028 1.00 0.00 ? 12 HIS A N 28 ATOM 38473 C CA . HIS A 1 12 ? -15.077 -3.281 5.991 1.00 0.00 ? 12 HIS A CA 28 ATOM 38474 C C . HIS A 1 12 ? -13.994 -3.391 4.915 1.00 0.00 ? 12 HIS A C 28 ATOM 38475 O O . HIS A 1 12 ? -12.881 -3.845 5.188 1.00 0.00 ? 12 HIS A O 28 ATOM 38476 C CB . HIS A 1 12 ? -16.248 -4.264 5.763 1.00 0.00 ? 12 HIS A CB 28 ATOM 38477 C CG . HIS A 1 12 ? -15.969 -5.401 4.823 1.00 0.00 ? 12 HIS A CG 28 ATOM 38478 N ND1 . HIS A 1 12 ? -15.516 -6.635 5.239 1.00 0.00 ? 12 HIS A ND1 28 ATOM 38479 C CD2 . HIS A 1 12 ? -16.089 -5.478 3.479 1.00 0.00 ? 12 HIS A CD2 28 ATOM 38480 C CE1 . HIS A 1 12 ? -15.367 -7.423 4.188 1.00 0.00 ? 12 HIS A CE1 28 ATOM 38481 N NE2 . HIS A 1 12 ? -15.709 -6.744 3.108 1.00 0.00 ? 12 HIS A NE2 28 ATOM 38482 H H . HIS A 1 12 ? -16.439 -1.719 5.590 1.00 0.00 ? 12 HIS A H 28 ATOM 38483 H HA . HIS A 1 12 ? -14.627 -3.487 6.951 1.00 0.00 ? 12 HIS A HA 28 ATOM 38484 H HB2 . HIS A 1 12 ? -16.528 -4.694 6.712 1.00 0.00 ? 12 HIS A HB2 28 ATOM 38485 H HB3 . HIS A 1 12 ? -17.090 -3.712 5.372 1.00 0.00 ? 12 HIS A HB3 28 ATOM 38486 H HD1 . HIS A 1 12 ? -15.329 -6.894 6.164 1.00 0.00 ? 12 HIS A HD1 28 ATOM 38487 H HD2 . HIS A 1 12 ? -16.420 -4.685 2.822 1.00 0.00 ? 12 HIS A HD2 28 ATOM 38488 H HE1 . HIS A 1 12 ? -15.025 -8.448 4.209 1.00 0.00 ? 12 HIS A HE1 28 ATOM 38489 H HE2 . HIS A 1 12 ? -15.695 -7.090 2.192 1.00 0.00 ? 12 HIS A HE2 28 ATOM 38490 N N . HIS A 1 13 ? -14.313 -2.950 3.698 1.00 0.00 ? 13 HIS A N 28 ATOM 38491 C CA . HIS A 1 13 ? -13.338 -2.990 2.618 1.00 0.00 ? 13 HIS A CA 28 ATOM 38492 C C . HIS A 1 13 ? -12.164 -2.082 2.948 1.00 0.00 ? 13 HIS A C 28 ATOM 38493 O O . HIS A 1 13 ? -11.042 -2.315 2.502 1.00 0.00 ? 13 HIS A O 28 ATOM 38494 C CB . HIS A 1 13 ? -13.957 -2.552 1.292 1.00 0.00 ? 13 HIS A CB 28 ATOM 38495 C CG . HIS A 1 13 ? -15.041 -3.447 0.790 1.00 0.00 ? 13 HIS A CG 28 ATOM 38496 N ND1 . HIS A 1 13 ? -15.059 -4.810 0.993 1.00 0.00 ? 13 HIS A ND1 28 ATOM 38497 C CD2 . HIS A 1 13 ? -16.147 -3.159 0.070 1.00 0.00 ? 13 HIS A CD2 28 ATOM 38498 C CE1 . HIS A 1 13 ? -16.132 -5.323 0.417 1.00 0.00 ? 13 HIS A CE1 28 ATOM 38499 N NE2 . HIS A 1 13 ? -16.809 -4.341 -0.148 1.00 0.00 ? 13 HIS A NE2 28 ATOM 38500 H H . HIS A 1 13 ? -15.207 -2.576 3.531 1.00 0.00 ? 13 HIS A H 28 ATOM 38501 H HA . HIS A 1 13 ? -12.982 -4.006 2.526 1.00 0.00 ? 13 HIS A HA 28 ATOM 38502 H HB2 . HIS A 1 13 ? -14.372 -1.564 1.406 1.00 0.00 ? 13 HIS A HB2 28 ATOM 38503 H HB3 . HIS A 1 13 ? -13.182 -2.525 0.542 1.00 0.00 ? 13 HIS A HB3 28 ATOM 38504 H HD1 . HIS A 1 13 ? -14.385 -5.324 1.485 1.00 0.00 ? 13 HIS A HD1 28 ATOM 38505 H HD2 . HIS A 1 13 ? -16.445 -2.180 -0.275 1.00 0.00 ? 13 HIS A HD2 28 ATOM 38506 H HE1 . HIS A 1 13 ? -16.406 -6.367 0.408 1.00 0.00 ? 13 HIS A HE1 28 ATOM 38507 H HE2 . HIS A 1 13 ? -17.649 -4.443 -0.644 1.00 0.00 ? 13 HIS A HE2 28 ATOM 38508 N N . ALA A 1 14 ? -12.430 -1.044 3.739 1.00 0.00 ? 14 ALA A N 28 ATOM 38509 C CA . ALA A 1 14 ? -11.394 -0.101 4.136 1.00 0.00 ? 14 ALA A CA 28 ATOM 38510 C C . ALA A 1 14 ? -10.353 -0.790 5.006 1.00 0.00 ? 14 ALA A C 28 ATOM 38511 O O . ALA A 1 14 ? -9.153 -0.697 4.749 1.00 0.00 ? 14 ALA A O 28 ATOM 38512 C CB . ALA A 1 14 ? -12.006 1.080 4.875 1.00 0.00 ? 14 ALA A CB 28 ATOM 38513 H H . ALA A 1 14 ? -13.346 -0.912 4.065 1.00 0.00 ? 14 ALA A H 28 ATOM 38514 H HA . ALA A 1 14 ? -10.916 0.270 3.241 1.00 0.00 ? 14 ALA A HA 28 ATOM 38515 H HB1 . ALA A 1 14 ? -12.864 0.747 5.439 1.00 0.00 ? 14 ALA A HB1 28 ATOM 38516 H HB2 . ALA A 1 14 ? -11.275 1.503 5.547 1.00 0.00 ? 14 ALA A HB2 28 ATOM 38517 H HB3 . ALA A 1 14 ? -12.313 1.831 4.162 1.00 0.00 ? 14 ALA A HB3 28 ATOM 38518 N N . LYS A 1 15 ? -10.822 -1.497 6.030 1.00 0.00 ? 15 LYS A N 28 ATOM 38519 C CA . LYS A 1 15 ? -9.927 -2.214 6.927 1.00 0.00 ? 15 LYS A CA 28 ATOM 38520 C C . LYS A 1 15 ? -9.086 -3.209 6.140 1.00 0.00 ? 15 LYS A C 28 ATOM 38521 O O . LYS A 1 15 ? -7.938 -3.485 6.488 1.00 0.00 ? 15 LYS A O 28 ATOM 38522 C CB . LYS A 1 15 ? -10.727 -2.941 8.008 1.00 0.00 ? 15 LYS A CB 28 ATOM 38523 C CG . LYS A 1 15 ? -10.663 -2.267 9.369 1.00 0.00 ? 15 LYS A CG 28 ATOM 38524 C CD . LYS A 1 15 ? -11.555 -2.968 10.381 1.00 0.00 ? 15 LYS A CD 28 ATOM 38525 C CE . LYS A 1 15 ? -10.737 -3.677 11.448 1.00 0.00 ? 15 LYS A CE 28 ATOM 38526 N NZ . LYS A 1 15 ? -10.186 -4.971 10.958 1.00 0.00 ? 15 LYS A NZ 28 ATOM 38527 H H . LYS A 1 15 ? -11.791 -1.543 6.179 1.00 0.00 ? 15 LYS A H 28 ATOM 38528 H HA . LYS A 1 15 ? -9.273 -1.493 7.393 1.00 0.00 ? 15 LYS A HA 28 ATOM 38529 H HB2 . LYS A 1 15 ? -11.762 -2.990 7.704 1.00 0.00 ? 15 LYS A HB2 28 ATOM 38530 H HB3 . LYS A 1 15 ? -10.344 -3.946 8.109 1.00 0.00 ? 15 LYS A HB3 28 ATOM 38531 H HG2 . LYS A 1 15 ? -9.644 -2.292 9.725 1.00 0.00 ? 15 LYS A HG2 28 ATOM 38532 H HG3 . LYS A 1 15 ? -10.986 -1.241 9.267 1.00 0.00 ? 15 LYS A HG3 28 ATOM 38533 H HD2 . LYS A 1 15 ? -12.189 -2.234 10.857 1.00 0.00 ? 15 LYS A HD2 28 ATOM 38534 H HD3 . LYS A 1 15 ? -12.166 -3.695 9.865 1.00 0.00 ? 15 LYS A HD3 28 ATOM 38535 H HE2 . LYS A 1 15 ? -9.918 -3.037 11.741 1.00 0.00 ? 15 LYS A HE2 28 ATOM 38536 H HE3 . LYS A 1 15 ? -11.369 -3.866 12.302 1.00 0.00 ? 15 LYS A HE3 28 ATOM 38537 H HZ1 . LYS A 1 15 ? -10.415 -5.098 9.950 1.00 0.00 ? 15 LYS A HZ1 28 ATOM 38538 H HZ2 . LYS A 1 15 ? -9.152 -4.985 11.072 1.00 0.00 ? 15 LYS A HZ2 28 ATOM 38539 H HZ3 . LYS A 1 15 ? -10.593 -5.760 11.496 1.00 0.00 ? 15 LYS A HZ3 28 ATOM 38540 N N . GLU A 1 16 ? -9.669 -3.744 5.071 1.00 0.00 ? 16 GLU A N 28 ATOM 38541 C CA . GLU A 1 16 ? -8.977 -4.708 4.224 1.00 0.00 ? 16 GLU A CA 28 ATOM 38542 C C . GLU A 1 16 ? -7.784 -4.063 3.526 1.00 0.00 ? 16 GLU A C 28 ATOM 38543 O O . GLU A 1 16 ? -6.670 -4.584 3.577 1.00 0.00 ? 16 GLU A O 28 ATOM 38544 C CB . GLU A 1 16 ? -9.939 -5.287 3.185 1.00 0.00 ? 16 GLU A CB 28 ATOM 38545 C CG . GLU A 1 16 ? -10.438 -6.681 3.529 1.00 0.00 ? 16 GLU A CG 28 ATOM 38546 C CD . GLU A 1 16 ? -11.944 -6.807 3.404 1.00 0.00 ? 16 GLU A CD 28 ATOM 38547 O OE1 . GLU A 1 16 ? -12.662 -6.016 4.051 1.00 0.00 ? 16 GLU A OE1 28 ATOM 38548 O OE2 . GLU A 1 16 ? -12.405 -7.697 2.660 1.00 0.00 ? 16 GLU A OE2 28 ATOM 38549 H H . GLU A 1 16 ? -10.588 -3.482 4.845 1.00 0.00 ? 16 GLU A H 28 ATOM 38550 H HA . GLU A 1 16 ? -8.620 -5.507 4.855 1.00 0.00 ? 16 GLU A HA 28 ATOM 38551 H HB2 . GLU A 1 16 ? -10.793 -4.633 3.098 1.00 0.00 ? 16 GLU A HB2 28 ATOM 38552 H HB3 . GLU A 1 16 ? -9.435 -5.335 2.231 1.00 0.00 ? 16 GLU A HB3 28 ATOM 38553 H HG2 . GLU A 1 16 ? -9.977 -7.391 2.860 1.00 0.00 ? 16 GLU A HG2 28 ATOM 38554 H HG3 . GLU A 1 16 ? -10.156 -6.909 4.547 1.00 0.00 ? 16 GLU A HG3 28 ATOM 38555 N N . ILE A 1 17 ? -8.021 -2.928 2.873 1.00 0.00 ? 17 ILE A N 28 ATOM 38556 C CA . ILE A 1 17 ? -6.959 -2.218 2.166 1.00 0.00 ? 17 ILE A CA 28 ATOM 38557 C C . ILE A 1 17 ? -5.868 -1.760 3.137 1.00 0.00 ? 17 ILE A C 28 ATOM 38558 O O . ILE A 1 17 ? -4.729 -1.525 2.737 1.00 0.00 ? 17 ILE A O 28 ATOM 38559 C CB . ILE A 1 17 ? -7.521 -1.007 1.366 1.00 0.00 ? 17 ILE A CB 28 ATOM 38560 C CG1 . ILE A 1 17 ? -7.654 0.250 2.239 1.00 0.00 ? 17 ILE A CG1 28 ATOM 38561 C CG2 . ILE A 1 17 ? -8.872 -1.358 0.763 1.00 0.00 ? 17 ILE A CG2 28 ATOM 38562 C CD1 . ILE A 1 17 ? -6.525 1.240 2.052 1.00 0.00 ? 17 ILE A CD1 28 ATOM 38563 H H . ILE A 1 17 ? -8.929 -2.558 2.867 1.00 0.00 ? 17 ILE A H 28 ATOM 38564 H HA . ILE A 1 17 ? -6.515 -2.910 1.460 1.00 0.00 ? 17 ILE A HA 28 ATOM 38565 H HB . ILE A 1 17 ? -6.840 -0.802 0.550 1.00 0.00 ? 17 ILE A HB 28 ATOM 38566 H HG12 . ILE A 1 17 ? -8.578 0.753 1.997 1.00 0.00 ? 17 ILE A HG12 28 ATOM 38567 H HG13 . ILE A 1 17 ? -7.671 -0.043 3.279 1.00 0.00 ? 17 ILE A HG13 28 ATOM 38568 H HG21 . ILE A 1 17 ? -9.019 -2.424 0.803 1.00 0.00 ? 17 ILE A HG21 28 ATOM 38569 H HG22 . ILE A 1 17 ? -9.653 -0.866 1.322 1.00 0.00 ? 17 ILE A HG22 28 ATOM 38570 H HG23 . ILE A 1 17 ? -8.904 -1.028 -0.263 1.00 0.00 ? 17 ILE A HG23 28 ATOM 38571 H HD11 . ILE A 1 17 ? -5.962 0.980 1.168 1.00 0.00 ? 17 ILE A HD11 28 ATOM 38572 H HD12 . ILE A 1 17 ? -6.932 2.234 1.941 1.00 0.00 ? 17 ILE A HD12 28 ATOM 38573 H HD13 . ILE A 1 17 ? -5.875 1.211 2.914 1.00 0.00 ? 17 ILE A HD13 28 ATOM 38574 N N . GLU A 1 18 ? -6.229 -1.639 4.412 1.00 0.00 ? 18 GLU A N 28 ATOM 38575 C CA . GLU A 1 18 ? -5.282 -1.215 5.434 1.00 0.00 ? 18 GLU A CA 28 ATOM 38576 C C . GLU A 1 18 ? -4.341 -2.359 5.795 1.00 0.00 ? 18 GLU A C 28 ATOM 38577 O O . GLU A 1 18 ? -3.153 -2.146 6.036 1.00 0.00 ? 18 GLU A O 28 ATOM 38578 C CB . GLU A 1 18 ? -6.023 -0.731 6.682 1.00 0.00 ? 18 GLU A CB 28 ATOM 38579 C CG . GLU A 1 18 ? -5.102 -0.361 7.832 1.00 0.00 ? 18 GLU A CG 28 ATOM 38580 C CD . GLU A 1 18 ? -4.025 0.625 7.424 1.00 0.00 ? 18 GLU A CD 28 ATOM 38581 O OE1 . GLU A 1 18 ? -3.245 0.306 6.502 1.00 0.00 ? 18 GLU A OE1 28 ATOM 38582 O OE2 . GLU A 1 18 ? -3.961 1.717 8.026 1.00 0.00 ? 18 GLU A OE2 28 ATOM 38583 H H . GLU A 1 18 ? -7.151 -1.840 4.671 1.00 0.00 ? 18 GLU A H 28 ATOM 38584 H HA . GLU A 1 18 ? -4.700 -0.401 5.030 1.00 0.00 ? 18 GLU A HA 28 ATOM 38585 H HB2 . GLU A 1 18 ? -6.609 0.138 6.423 1.00 0.00 ? 18 GLU A HB2 28 ATOM 38586 H HB3 . GLU A 1 18 ? -6.687 -1.515 7.018 1.00 0.00 ? 18 GLU A HB3 28 ATOM 38587 H HG2 . GLU A 1 18 ? -5.692 0.080 8.621 1.00 0.00 ? 18 GLU A HG2 28 ATOM 38588 H HG3 . GLU A 1 18 ? -4.626 -1.260 8.199 1.00 0.00 ? 18 GLU A HG3 28 ATOM 38589 N N . ARG A 1 19 ? -4.881 -3.573 5.821 1.00 0.00 ? 19 ARG A N 28 ATOM 38590 C CA . ARG A 1 19 ? -4.086 -4.752 6.140 1.00 0.00 ? 19 ARG A CA 28 ATOM 38591 C C . ARG A 1 19 ? -3.036 -4.985 5.063 1.00 0.00 ? 19 ARG A C 28 ATOM 38592 O O . ARG A 1 19 ? -1.842 -5.122 5.355 1.00 0.00 ? 19 ARG A O 28 ATOM 38593 C CB . ARG A 1 19 ? -4.986 -5.983 6.271 1.00 0.00 ? 19 ARG A CB 28 ATOM 38594 C CG . ARG A 1 19 ? -4.226 -7.260 6.590 1.00 0.00 ? 19 ARG A CG 28 ATOM 38595 C CD . ARG A 1 19 ? -5.029 -8.495 6.212 1.00 0.00 ? 19 ARG A CD 28 ATOM 38596 N NE . ARG A 1 19 ? -4.383 -9.263 5.151 1.00 0.00 ? 19 ARG A NE 28 ATOM 38597 C CZ . ARG A 1 19 ? -4.641 -10.544 4.908 1.00 0.00 ? 19 ARG A CZ 28 ATOM 38598 N NH1 . ARG A 1 19 ? -5.526 -11.196 5.651 1.00 0.00 ? 19 ARG A NH1 28 ATOM 38599 N NH2 . ARG A 1 19 ? -4.014 -11.174 3.924 1.00 0.00 ? 19 ARG A NH2 28 ATOM 38600 H H . ARG A 1 19 ? -5.832 -3.679 5.613 1.00 0.00 ? 19 ARG A H 28 ATOM 38601 H HA . ARG A 1 19 ? -3.590 -4.574 7.083 1.00 0.00 ? 19 ARG A HA 28 ATOM 38602 H HB2 . ARG A 1 19 ? -5.702 -5.809 7.060 1.00 0.00 ? 19 ARG A HB2 28 ATOM 38603 H HB3 . ARG A 1 19 ? -5.516 -6.127 5.341 1.00 0.00 ? 19 ARG A HB3 28 ATOM 38604 H HG2 . ARG A 1 19 ? -3.299 -7.263 6.037 1.00 0.00 ? 19 ARG A HG2 28 ATOM 38605 H HG3 . ARG A 1 19 ? -4.016 -7.287 7.649 1.00 0.00 ? 19 ARG A HG3 28 ATOM 38606 H HD2 . ARG A 1 19 ? -5.132 -9.122 7.084 1.00 0.00 ? 19 ARG A HD2 28 ATOM 38607 H HD3 . ARG A 1 19 ? -6.007 -8.184 5.875 1.00 0.00 ? 19 ARG A HD3 28 ATOM 38608 H HE . ARG A 1 19 ? -3.725 -8.801 4.591 1.00 0.00 ? 19 ARG A HE 28 ATOM 38609 H HH11 . ARG A 1 19 ? -6.000 -10.724 6.393 1.00 0.00 ? 19 ARG A HH11 28 ATOM 38610 H HH12 . ARG A 1 19 ? -5.719 -12.160 5.466 1.00 0.00 ? 19 ARG A HH12 28 ATOM 38611 H HH21 . ARG A 1 19 ? -3.345 -10.686 3.364 1.00 0.00 ? 19 ARG A HH21 28 ATOM 38612 H HH22 . ARG A 1 19 ? -4.209 -12.138 3.744 1.00 0.00 ? 19 ARG A HH22 28 ATOM 38613 N N . LEU A 1 20 ? -3.479 -5.008 3.809 1.00 0.00 ? 20 LEU A N 28 ATOM 38614 C CA . LEU A 1 20 ? -2.568 -5.205 2.697 1.00 0.00 ? 20 LEU A CA 28 ATOM 38615 C C . LEU A 1 20 ? -1.532 -4.092 2.685 1.00 0.00 ? 20 LEU A C 28 ATOM 38616 O O . LEU A 1 20 ? -0.341 -4.339 2.500 1.00 0.00 ? 20 LEU A O 28 ATOM 38617 C CB . LEU A 1 20 ? -3.332 -5.233 1.372 1.00 0.00 ? 20 LEU A CB 28 ATOM 38618 C CG . LEU A 1 20 ? -4.694 -5.928 1.424 1.00 0.00 ? 20 LEU A CG 28 ATOM 38619 C CD1 . LEU A 1 20 ? -5.238 -6.142 0.020 1.00 0.00 ? 20 LEU A CD1 28 ATOM 38620 C CD2 . LEU A 1 20 ? -4.588 -7.253 2.164 1.00 0.00 ? 20 LEU A CD2 28 ATOM 38621 H H . LEU A 1 20 ? -4.437 -4.875 3.630 1.00 0.00 ? 20 LEU A H 28 ATOM 38622 H HA . LEU A 1 20 ? -2.066 -6.151 2.839 1.00 0.00 ? 20 LEU A HA 28 ATOM 38623 H HB2 . LEU A 1 20 ? -3.482 -4.215 1.045 1.00 0.00 ? 20 LEU A HB2 28 ATOM 38624 H HB3 . LEU A 1 20 ? -2.722 -5.742 0.640 1.00 0.00 ? 20 LEU A HB3 28 ATOM 38625 H HG . LEU A 1 20 ? -5.390 -5.299 1.959 1.00 0.00 ? 20 LEU A HG 28 ATOM 38626 H HD11 . LEU A 1 20 ? -4.453 -5.967 -0.701 1.00 0.00 ? 20 LEU A HD11 28 ATOM 38627 H HD12 . LEU A 1 20 ? -5.596 -7.156 -0.077 1.00 0.00 ? 20 LEU A HD12 28 ATOM 38628 H HD13 . LEU A 1 20 ? -6.051 -5.454 -0.160 1.00 0.00 ? 20 LEU A HD13 28 ATOM 38629 H HD21 . LEU A 1 20 ? -4.056 -7.105 3.092 1.00 0.00 ? 20 LEU A HD21 28 ATOM 38630 H HD22 . LEU A 1 20 ? -5.579 -7.630 2.372 1.00 0.00 ? 20 LEU A HD22 28 ATOM 38631 H HD23 . LEU A 1 20 ? -4.053 -7.965 1.552 1.00 0.00 ? 20 LEU A HD23 28 ATOM 38632 N N . GLN A 1 21 ? -1.997 -2.864 2.899 1.00 0.00 ? 21 GLN A N 28 ATOM 38633 C CA . GLN A 1 21 ? -1.120 -1.701 2.927 1.00 0.00 ? 21 GLN A CA 28 ATOM 38634 C C . GLN A 1 21 ? -0.082 -1.847 4.031 1.00 0.00 ? 21 GLN A C 28 ATOM 38635 O O . GLN A 1 21 ? 1.030 -1.331 3.925 1.00 0.00 ? 21 GLN A O 28 ATOM 38636 C CB . GLN A 1 21 ? -1.934 -0.424 3.138 1.00 0.00 ? 21 GLN A CB 28 ATOM 38637 C CG . GLN A 1 21 ? -1.079 0.822 3.303 1.00 0.00 ? 21 GLN A CG 28 ATOM 38638 C CD . GLN A 1 21 ? -1.308 1.835 2.199 1.00 0.00 ? 21 GLN A CD 28 ATOM 38639 O OE1 . GLN A 1 21 ? -1.862 2.910 2.431 1.00 0.00 ? 21 GLN A OE1 28 ATOM 38640 N NE2 . GLN A 1 21 ? -0.880 1.498 0.987 1.00 0.00 ? 21 GLN A NE2 28 ATOM 38641 H H . GLN A 1 21 ? -2.958 -2.739 3.051 1.00 0.00 ? 21 GLN A H 28 ATOM 38642 H HA . GLN A 1 21 ? -0.612 -1.643 1.975 1.00 0.00 ? 21 GLN A HA 28 ATOM 38643 H HB2 . GLN A 1 21 ? -2.583 -0.279 2.288 1.00 0.00 ? 21 GLN A HB2 28 ATOM 38644 H HB3 . GLN A 1 21 ? -2.538 -0.539 4.026 1.00 0.00 ? 21 GLN A HB3 28 ATOM 38645 H HG2 . GLN A 1 21 ? -1.317 1.285 4.249 1.00 0.00 ? 21 GLN A HG2 28 ATOM 38646 H HG3 . GLN A 1 21 ? -0.038 0.532 3.296 1.00 0.00 ? 21 GLN A HG3 28 ATOM 38647 H HE21 . GLN A 1 21 ? -0.447 0.626 0.875 1.00 0.00 ? 21 GLN A HE21 28 ATOM 38648 H HE22 . GLN A 1 21 ? -1.015 2.135 0.255 1.00 0.00 ? 21 GLN A HE22 28 ATOM 38649 N N . LYS A 1 22 ? -0.453 -2.563 5.088 1.00 0.00 ? 22 LYS A N 28 ATOM 38650 C CA . LYS A 1 22 ? 0.449 -2.789 6.209 1.00 0.00 ? 22 LYS A CA 28 ATOM 38651 C C . LYS A 1 22 ? 1.668 -3.576 5.746 1.00 0.00 ? 22 LYS A C 28 ATOM 38652 O O . LYS A 1 22 ? 2.806 -3.208 6.037 1.00 0.00 ? 22 LYS A O 28 ATOM 38653 C CB . LYS A 1 22 ? -0.270 -3.543 7.328 1.00 0.00 ? 22 LYS A CB 28 ATOM 38654 C CG . LYS A 1 22 ? 0.514 -3.595 8.629 1.00 0.00 ? 22 LYS A CG 28 ATOM 38655 C CD . LYS A 1 22 ? 0.684 -5.023 9.120 1.00 0.00 ? 22 LYS A CD 28 ATOM 38656 C CE . LYS A 1 22 ? 1.566 -5.833 8.184 1.00 0.00 ? 22 LYS A CE 28 ATOM 38657 N NZ . LYS A 1 22 ? 1.753 -7.230 8.665 1.00 0.00 ? 22 LYS A NZ 28 ATOM 38658 H H . LYS A 1 22 ? -1.349 -2.956 5.109 1.00 0.00 ? 22 LYS A H 28 ATOM 38659 H HA . LYS A 1 22 ? 0.772 -1.827 6.578 1.00 0.00 ? 22 LYS A HA 28 ATOM 38660 H HB2 . LYS A 1 22 ? -1.216 -3.060 7.522 1.00 0.00 ? 22 LYS A HB2 28 ATOM 38661 H HB3 . LYS A 1 22 ? -0.454 -4.556 7.003 1.00 0.00 ? 22 LYS A HB3 28 ATOM 38662 H HG2 . LYS A 1 22 ? 1.489 -3.162 8.469 1.00 0.00 ? 22 LYS A HG2 28 ATOM 38663 H HG3 . LYS A 1 22 ? -0.015 -3.025 9.380 1.00 0.00 ? 22 LYS A HG3 28 ATOM 38664 H HD2 . LYS A 1 22 ? 1.137 -5.005 10.100 1.00 0.00 ? 22 LYS A HD2 28 ATOM 38665 H HD3 . LYS A 1 22 ? -0.288 -5.491 9.180 1.00 0.00 ? 22 LYS A HD3 28 ATOM 38666 H HE2 . LYS A 1 22 ? 1.105 -5.857 7.208 1.00 0.00 ? 22 LYS A HE2 28 ATOM 38667 H HE3 . LYS A 1 22 ? 2.530 -5.352 8.114 1.00 0.00 ? 22 LYS A HE3 28 ATOM 38668 H HZ1 . LYS A 1 22 ? 1.503 -7.297 9.673 1.00 0.00 ? 22 LYS A HZ1 28 ATOM 38669 H HZ2 . LYS A 1 22 ? 1.144 -7.878 8.125 1.00 0.00 ? 22 LYS A HZ2 28 ATOM 38670 H HZ3 . LYS A 1 22 ? 2.743 -7.520 8.545 1.00 0.00 ? 22 LYS A HZ3 28 ATOM 38671 N N . GLU A 1 23 ? 1.418 -4.657 5.015 1.00 0.00 ? 23 GLU A N 28 ATOM 38672 C CA . GLU A 1 23 ? 2.497 -5.494 4.499 1.00 0.00 ? 23 GLU A CA 28 ATOM 38673 C C . GLU A 1 23 ? 3.427 -4.681 3.600 1.00 0.00 ? 23 GLU A C 28 ATOM 38674 O O . GLU A 1 23 ? 4.652 -4.710 3.759 1.00 0.00 ? 23 GLU A O 28 ATOM 38675 C CB . GLU A 1 23 ? 1.924 -6.680 3.723 1.00 0.00 ? 23 GLU A CB 28 ATOM 38676 C CG . GLU A 1 23 ? 2.472 -8.024 4.174 1.00 0.00 ? 23 GLU A CG 28 ATOM 38677 C CD . GLU A 1 23 ? 1.793 -9.190 3.484 1.00 0.00 ? 23 GLU A CD 28 ATOM 38678 O OE1 . GLU A 1 23 ? 0.594 -9.069 3.154 1.00 0.00 ? 23 GLU A OE1 28 ATOM 38679 O OE2 . GLU A 1 23 ? 2.460 -10.226 3.274 1.00 0.00 ? 23 GLU A OE2 28 ATOM 38680 H H . GLU A 1 23 ? 0.484 -4.894 4.813 1.00 0.00 ? 23 GLU A H 28 ATOM 38681 H HA . GLU A 1 23 ? 3.062 -5.863 5.342 1.00 0.00 ? 23 GLU A HA 28 ATOM 38682 H HB2 . GLU A 1 23 ? 0.851 -6.693 3.847 1.00 0.00 ? 23 GLU A HB2 28 ATOM 38683 H HB3 . GLU A 1 23 ? 2.156 -6.555 2.675 1.00 0.00 ? 23 GLU A HB3 28 ATOM 38684 H HG2 . GLU A 1 23 ? 3.528 -8.061 3.954 1.00 0.00 ? 23 GLU A HG2 28 ATOM 38685 H HG3 . GLU A 1 23 ? 2.324 -8.118 5.240 1.00 0.00 ? 23 GLU A HG3 28 ATOM 38686 N N . ILE A 1 24 ? 2.839 -3.948 2.657 1.00 0.00 ? 24 ILE A N 28 ATOM 38687 C CA . ILE A 1 24 ? 3.628 -3.126 1.745 1.00 0.00 ? 24 ILE A CA 28 ATOM 38688 C C . ILE A 1 24 ? 4.426 -2.089 2.536 1.00 0.00 ? 24 ILE A C 28 ATOM 38689 O O . ILE A 1 24 ? 5.483 -1.638 2.101 1.00 0.00 ? 24 ILE A O 28 ATOM 38690 C CB . ILE A 1 24 ? 2.759 -2.440 0.636 1.00 0.00 ? 24 ILE A CB 28 ATOM 38691 C CG1 . ILE A 1 24 ? 2.351 -1.006 1.008 1.00 0.00 ? 24 ILE A CG1 28 ATOM 38692 C CG2 . ILE A 1 24 ? 1.518 -3.263 0.328 1.00 0.00 ? 24 ILE A CG2 28 ATOM 38693 C CD1 . ILE A 1 24 ? 3.344 0.034 0.534 1.00 0.00 ? 24 ILE A CD1 28 ATOM 38694 H H . ILE A 1 24 ? 1.863 -3.957 2.584 1.00 0.00 ? 24 ILE A H 28 ATOM 38695 H HA . ILE A 1 24 ? 4.332 -3.785 1.253 1.00 0.00 ? 24 ILE A HA 28 ATOM 38696 H HB . ILE A 1 24 ? 3.353 -2.405 -0.265 1.00 0.00 ? 24 ILE A HB 28 ATOM 38697 H HG12 . ILE A 1 24 ? 1.394 -0.781 0.560 1.00 0.00 ? 24 ILE A HG12 28 ATOM 38698 H HG13 . ILE A 1 24 ? 2.270 -0.926 2.082 1.00 0.00 ? 24 ILE A HG13 28 ATOM 38699 H HG21 . ILE A 1 24 ? 1.784 -4.306 0.256 1.00 0.00 ? 24 ILE A HG21 28 ATOM 38700 H HG22 . ILE A 1 24 ? 0.796 -3.128 1.117 1.00 0.00 ? 24 ILE A HG22 28 ATOM 38701 H HG23 . ILE A 1 24 ? 1.092 -2.933 -0.606 1.00 0.00 ? 24 ILE A HG23 28 ATOM 38702 H HD11 . ILE A 1 24 ? 4.179 -0.460 0.055 1.00 0.00 ? 24 ILE A HD11 28 ATOM 38703 H HD12 . ILE A 1 24 ? 2.863 0.694 -0.172 1.00 0.00 ? 24 ILE A HD12 28 ATOM 38704 H HD13 . ILE A 1 24 ? 3.698 0.604 1.379 1.00 0.00 ? 24 ILE A HD13 28 ATOM 38705 N N . GLU A 1 25 ? 3.903 -1.724 3.707 1.00 0.00 ? 25 GLU A N 28 ATOM 38706 C CA . GLU A 1 25 ? 4.561 -0.753 4.569 1.00 0.00 ? 25 GLU A CA 28 ATOM 38707 C C . GLU A 1 25 ? 5.840 -1.346 5.140 1.00 0.00 ? 25 GLU A C 28 ATOM 38708 O O . GLU A 1 25 ? 6.839 -0.650 5.306 1.00 0.00 ? 25 GLU A O 28 ATOM 38709 C CB . GLU A 1 25 ? 3.627 -0.327 5.704 1.00 0.00 ? 25 GLU A CB 28 ATOM 38710 C CG . GLU A 1 25 ? 3.120 1.100 5.569 1.00 0.00 ? 25 GLU A CG 28 ATOM 38711 C CD . GLU A 1 25 ? 1.933 1.385 6.467 1.00 0.00 ? 25 GLU A CD 28 ATOM 38712 O OE1 . GLU A 1 25 ? 2.149 1.813 7.621 1.00 0.00 ? 25 GLU A OE1 28 ATOM 38713 O OE2 . GLU A 1 25 ? 0.786 1.178 6.019 1.00 0.00 ? 25 GLU A OE2 28 ATOM 38714 H H . GLU A 1 25 ? 3.059 -2.125 3.999 1.00 0.00 ? 25 GLU A H 28 ATOM 38715 H HA . GLU A 1 25 ? 4.811 0.110 3.971 1.00 0.00 ? 25 GLU A HA 28 ATOM 38716 H HB2 . GLU A 1 25 ? 2.774 -0.989 5.721 1.00 0.00 ? 25 GLU A HB2 28 ATOM 38717 H HB3 . GLU A 1 25 ? 4.157 -0.410 6.641 1.00 0.00 ? 25 GLU A HB3 28 ATOM 38718 H HG2 . GLU A 1 25 ? 3.918 1.779 5.829 1.00 0.00 ? 25 GLU A HG2 28 ATOM 38719 H HG3 . GLU A 1 25 ? 2.826 1.268 4.543 1.00 0.00 ? 25 GLU A HG3 28 ATOM 38720 N N . ARG A 1 26 ? 5.801 -2.646 5.424 1.00 0.00 ? 26 ARG A N 28 ATOM 38721 C CA . ARG A 1 26 ? 6.964 -3.341 5.957 1.00 0.00 ? 26 ARG A CA 28 ATOM 38722 C C . ARG A 1 26 ? 8.105 -3.283 4.953 1.00 0.00 ? 26 ARG A C 28 ATOM 38723 O O . ARG A 1 26 ? 9.237 -2.926 5.295 1.00 0.00 ? 26 ARG A O 28 ATOM 38724 C CB . ARG A 1 26 ? 6.618 -4.795 6.280 1.00 0.00 ? 26 ARG A CB 28 ATOM 38725 C CG . ARG A 1 26 ? 7.767 -5.569 6.906 1.00 0.00 ? 26 ARG A CG 28 ATOM 38726 C CD . ARG A 1 26 ? 7.699 -7.047 6.558 1.00 0.00 ? 26 ARG A CD 28 ATOM 38727 N NE . ARG A 1 26 ? 8.313 -7.880 7.588 1.00 0.00 ? 26 ARG A NE 28 ATOM 38728 C CZ . ARG A 1 26 ? 8.647 -9.153 7.403 1.00 0.00 ? 26 ARG A CZ 28 ATOM 38729 N NH1 . ARG A 1 26 ? 8.426 -9.735 6.233 1.00 0.00 ? 26 ARG A NH1 28 ATOM 38730 N NH2 . ARG A 1 26 ? 9.203 -9.845 8.388 1.00 0.00 ? 26 ARG A NH2 28 ATOM 38731 H H . ARG A 1 26 ? 4.977 -3.148 5.258 1.00 0.00 ? 26 ARG A H 28 ATOM 38732 H HA . ARG A 1 26 ? 7.267 -2.837 6.863 1.00 0.00 ? 26 ARG A HA 28 ATOM 38733 H HB2 . ARG A 1 26 ? 5.785 -4.812 6.967 1.00 0.00 ? 26 ARG A HB2 28 ATOM 38734 H HB3 . ARG A 1 26 ? 6.330 -5.296 5.367 1.00 0.00 ? 26 ARG A HB3 28 ATOM 38735 H HG2 . ARG A 1 26 ? 8.700 -5.166 6.541 1.00 0.00 ? 26 ARG A HG2 28 ATOM 38736 H HG3 . ARG A 1 26 ? 7.720 -5.458 7.980 1.00 0.00 ? 26 ARG A HG3 28 ATOM 38737 H HD2 . ARG A 1 26 ? 6.664 -7.331 6.449 1.00 0.00 ? 26 ARG A HD2 28 ATOM 38738 H HD3 . ARG A 1 26 ? 8.215 -7.207 5.622 1.00 0.00 ? 26 ARG A HD3 28 ATOM 38739 H HE . ARG A 1 26 ? 8.485 -7.470 8.461 1.00 0.00 ? 26 ARG A HE 28 ATOM 38740 H HH11 . ARG A 1 26 ? 8.008 -9.218 5.487 1.00 0.00 ? 26 ARG A HH11 28 ATOM 38741 H HH12 . ARG A 1 26 ? 8.680 -10.694 6.095 1.00 0.00 ? 26 ARG A HH12 28 ATOM 38742 H HH21 . ARG A 1 26 ? 9.371 -9.408 9.272 1.00 0.00 ? 26 ARG A HH21 28 ATOM 38743 H HH22 . ARG A 1 26 ? 9.454 -10.803 8.248 1.00 0.00 ? 26 ARG A HH22 28 ATOM 38744 N N . HIS A 1 27 ? 7.798 -3.612 3.699 1.00 0.00 ? 27 HIS A N 28 ATOM 38745 C CA . HIS A 1 27 ? 8.799 -3.570 2.648 1.00 0.00 ? 27 HIS A CA 28 ATOM 38746 C C . HIS A 1 27 ? 9.235 -2.130 2.413 1.00 0.00 ? 27 HIS A C 28 ATOM 38747 O O . HIS A 1 27 ? 10.367 -1.867 2.007 1.00 0.00 ? 27 HIS A O 28 ATOM 38748 C CB . HIS A 1 27 ? 8.243 -4.170 1.356 1.00 0.00 ? 27 HIS A CB 28 ATOM 38749 C CG . HIS A 1 27 ? 9.073 -5.291 0.814 1.00 0.00 ? 27 HIS A CG 28 ATOM 38750 N ND1 . HIS A 1 27 ? 10.157 -5.094 -0.015 1.00 0.00 ? 27 HIS A ND1 28 ATOM 38751 C CD2 . HIS A 1 27 ? 8.973 -6.629 0.989 1.00 0.00 ? 27 HIS A CD2 28 ATOM 38752 C CE1 . HIS A 1 27 ? 10.688 -6.264 -0.328 1.00 0.00 ? 27 HIS A CE1 28 ATOM 38753 N NE2 . HIS A 1 27 ? 9.988 -7.210 0.269 1.00 0.00 ? 27 HIS A NE2 28 ATOM 38754 H H . HIS A 1 27 ? 6.873 -3.868 3.475 1.00 0.00 ? 27 HIS A H 28 ATOM 38755 H HA . HIS A 1 27 ? 9.651 -4.147 2.972 1.00 0.00 ? 27 HIS A HA 28 ATOM 38756 H HB2 . HIS A 1 27 ? 7.251 -4.552 1.543 1.00 0.00 ? 27 HIS A HB2 28 ATOM 38757 H HB3 . HIS A 1 27 ? 8.191 -3.398 0.602 1.00 0.00 ? 27 HIS A HB3 28 ATOM 38758 H HD1 . HIS A 1 27 ? 10.489 -4.227 -0.329 1.00 0.00 ? 27 HIS A HD1 28 ATOM 38759 H HD2 . HIS A 1 27 ? 8.232 -7.143 1.585 1.00 0.00 ? 27 HIS A HD2 28 ATOM 38760 H HE1 . HIS A 1 27 ? 11.549 -6.418 -0.961 1.00 0.00 ? 27 HIS A HE1 28 ATOM 38761 H HE2 . HIS A 1 27 ? 10.166 -8.172 0.207 1.00 0.00 ? 27 HIS A HE2 28 ATOM 38762 N N . LYS A 1 28 ? 8.322 -1.201 2.683 1.00 0.00 ? 28 LYS A N 28 ATOM 38763 C CA . LYS A 1 28 ? 8.593 0.220 2.516 1.00 0.00 ? 28 LYS A CA 28 ATOM 38764 C C . LYS A 1 28 ? 9.454 0.746 3.660 1.00 0.00 ? 28 LYS A C 28 ATOM 38765 O O . LYS A 1 28 ? 10.087 1.794 3.538 1.00 0.00 ? 28 LYS A O 28 ATOM 38766 C CB . LYS A 1 28 ? 7.282 1.005 2.447 1.00 0.00 ? 28 LYS A CB 28 ATOM 38767 C CG . LYS A 1 28 ? 7.479 2.506 2.309 1.00 0.00 ? 28 LYS A CG 28 ATOM 38768 C CD . LYS A 1 28 ? 6.825 3.261 3.455 1.00 0.00 ? 28 LYS A CD 28 ATOM 38769 C CE . LYS A 1 28 ? 5.356 2.895 3.597 1.00 0.00 ? 28 LYS A CE 28 ATOM 38770 N NZ . LYS A 1 28 ? 4.543 4.040 4.091 1.00 0.00 ? 28 LYS A NZ 28 ATOM 38771 H H . LYS A 1 28 ? 7.443 -1.478 3.011 1.00 0.00 ? 28 LYS A H 28 ATOM 38772 H HA . LYS A 1 28 ? 9.127 0.348 1.589 1.00 0.00 ? 28 LYS A HA 28 ATOM 38773 H HB2 . LYS A 1 28 ? 6.713 0.659 1.598 1.00 0.00 ? 28 LYS A HB2 28 ATOM 38774 H HB3 . LYS A 1 28 ? 6.716 0.820 3.348 1.00 0.00 ? 28 LYS A HB3 28 ATOM 38775 H HG2 . LYS A 1 28 ? 8.536 2.723 2.305 1.00 0.00 ? 28 LYS A HG2 28 ATOM 38776 H HG3 . LYS A 1 28 ? 7.039 2.832 1.377 1.00 0.00 ? 28 LYS A HG3 28 ATOM 38777 H HD2 . LYS A 1 28 ? 7.337 3.015 4.373 1.00 0.00 ? 28 LYS A HD2 28 ATOM 38778 H HD3 . LYS A 1 28 ? 6.906 4.321 3.268 1.00 0.00 ? 28 LYS A HD3 28 ATOM 38779 H HE2 . LYS A 1 28 ? 4.981 2.587 2.633 1.00 0.00 ? 28 LYS A HE2 28 ATOM 38780 H HE3 . LYS A 1 28 ? 5.269 2.074 4.294 1.00 0.00 ? 28 LYS A HE3 28 ATOM 38781 H HZ1 . LYS A 1 28 ? 4.749 4.892 3.533 1.00 0.00 ? 28 LYS A HZ1 28 ATOM 38782 H HZ2 . LYS A 1 28 ? 3.529 3.821 4.008 1.00 0.00 ? 28 LYS A HZ2 28 ATOM 38783 H HZ3 . LYS A 1 28 ? 4.764 4.231 5.090 1.00 0.00 ? 28 LYS A HZ3 28 ATOM 38784 N N . GLN A 1 29 ? 9.477 0.014 4.771 1.00 0.00 ? 29 GLN A N 28 ATOM 38785 C CA . GLN A 1 29 ? 10.264 0.410 5.930 1.00 0.00 ? 29 GLN A CA 28 ATOM 38786 C C . GLN A 1 29 ? 11.734 0.075 5.716 1.00 0.00 ? 29 GLN A C 28 ATOM 38787 O O . GLN A 1 29 ? 12.616 0.866 6.047 1.00 0.00 ? 29 GLN A O 28 ATOM 38788 C CB . GLN A 1 29 ? 9.744 -0.284 7.190 1.00 0.00 ? 29 GLN A CB 28 ATOM 38789 C CG . GLN A 1 29 ? 10.536 0.055 8.442 1.00 0.00 ? 29 GLN A CG 28 ATOM 38790 C CD . GLN A 1 29 ? 9.722 -0.118 9.710 1.00 0.00 ? 29 GLN A CD 28 ATOM 38791 O OE1 . GLN A 1 29 ? 9.647 0.786 10.543 1.00 0.00 ? 29 GLN A OE1 28 ATOM 38792 N NE2 . GLN A 1 29 ? 9.108 -1.285 9.864 1.00 0.00 ? 29 GLN A NE2 28 ATOM 38793 H H . GLN A 1 29 ? 8.955 -0.813 4.812 1.00 0.00 ? 29 GLN A H 28 ATOM 38794 H HA . GLN A 1 29 ? 10.164 1.477 6.047 1.00 0.00 ? 29 GLN A HA 28 ATOM 38795 H HB2 . GLN A 1 29 ? 8.716 0.008 7.350 1.00 0.00 ? 29 GLN A HB2 28 ATOM 38796 H HB3 . GLN A 1 29 ? 9.786 -1.352 7.042 1.00 0.00 ? 29 GLN A HB3 28 ATOM 38797 H HG2 . GLN A 1 29 ? 11.398 -0.592 8.495 1.00 0.00 ? 29 GLN A HG2 28 ATOM 38798 H HG3 . GLN A 1 29 ? 10.863 1.083 8.379 1.00 0.00 ? 29 GLN A HG3 28 ATOM 38799 H HE21 . GLN A 1 29 ? 9.213 -1.959 9.160 1.00 0.00 ? 29 GLN A HE21 28 ATOM 38800 H HE22 . GLN A 1 29 ? 8.576 -1.425 10.674 1.00 0.00 ? 29 GLN A HE22 28 ATOM 38801 N N . SER A 1 30 ? 11.989 -1.103 5.157 1.00 0.00 ? 30 SER A N 28 ATOM 38802 C CA . SER A 1 30 ? 13.357 -1.537 4.897 1.00 0.00 ? 30 SER A CA 28 ATOM 38803 C C . SER A 1 30 ? 13.978 -0.726 3.762 1.00 0.00 ? 30 SER A C 28 ATOM 38804 O O . SER A 1 30 ? 15.153 -0.356 3.818 1.00 0.00 ? 30 SER A O 28 ATOM 38805 C CB . SER A 1 30 ? 13.388 -3.027 4.551 1.00 0.00 ? 30 SER A CB 28 ATOM 38806 O OG . SER A 1 30 ? 12.158 -3.447 3.987 1.00 0.00 ? 30 SER A OG 28 ATOM 38807 H H . SER A 1 30 ? 11.240 -1.693 4.913 1.00 0.00 ? 30 SER A H 28 ATOM 38808 H HA . SER A 1 30 ? 13.933 -1.373 5.795 1.00 0.00 ? 30 SER A HA 28 ATOM 38809 H HB2 . SER A 1 30 ? 14.178 -3.213 3.837 1.00 0.00 ? 30 SER A HB2 28 ATOM 38810 H HB3 . SER A 1 30 ? 13.574 -3.600 5.448 1.00 0.00 ? 30 SER A HB3 28 ATOM 38811 H HG . SER A 1 30 ? 12.194 -4.389 3.805 1.00 0.00 ? 30 SER A HG 28 ATOM 38812 N N . ILE A 1 31 ? 13.183 -0.456 2.731 1.00 0.00 ? 31 ILE A N 28 ATOM 38813 C CA . ILE A 1 31 ? 13.654 0.306 1.580 1.00 0.00 ? 31 ILE A CA 28 ATOM 38814 C C . ILE A 1 31 ? 13.790 1.787 1.914 1.00 0.00 ? 31 ILE A C 28 ATOM 38815 O O . ILE A 1 31 ? 14.680 2.467 1.400 1.00 0.00 ? 31 ILE A O 28 ATOM 38816 C CB . ILE A 1 31 ? 12.706 0.136 0.379 1.00 0.00 ? 31 ILE A CB 28 ATOM 38817 C CG1 . ILE A 1 31 ? 13.342 0.731 -0.899 1.00 0.00 ? 31 ILE A CG1 28 ATOM 38818 C CG2 . ILE A 1 31 ? 11.343 0.739 0.699 1.00 0.00 ? 31 ILE A CG2 28 ATOM 38819 C CD1 . ILE A 1 31 ? 12.745 2.045 -1.382 1.00 0.00 ? 31 ILE A CD1 28 ATOM 38820 H H . ILE A 1 31 ? 12.257 -0.778 2.744 1.00 0.00 ? 31 ILE A H 28 ATOM 38821 H HA . ILE A 1 31 ? 14.626 -0.078 1.304 1.00 0.00 ? 31 ILE A HA 28 ATOM 38822 H HB . ILE A 1 31 ? 12.562 -0.923 0.230 1.00 0.00 ? 31 ILE A HB 28 ATOM 38823 H HG12 . ILE A 1 31 ? 14.391 0.905 -0.715 1.00 0.00 ? 31 ILE A HG12 28 ATOM 38824 H HG13 . ILE A 1 31 ? 13.242 0.012 -1.700 1.00 0.00 ? 31 ILE A HG13 28 ATOM 38825 H HG21 . ILE A 1 31 ? 11.054 0.460 1.701 1.00 0.00 ? 31 ILE A HG21 28 ATOM 38826 H HG22 . ILE A 1 31 ? 11.399 1.815 0.628 1.00 0.00 ? 31 ILE A HG22 28 ATOM 38827 H HG23 . ILE A 1 31 ? 10.611 0.370 -0.003 1.00 0.00 ? 31 ILE A HG23 28 ATOM 38828 H HD11 . ILE A 1 31 ? 12.314 2.576 -0.547 1.00 0.00 ? 31 ILE A HD11 28 ATOM 38829 H HD12 . ILE A 1 31 ? 13.518 2.648 -1.832 1.00 0.00 ? 31 ILE A HD12 28 ATOM 38830 H HD13 . ILE A 1 31 ? 11.976 1.840 -2.114 1.00 0.00 ? 31 ILE A HD13 28 ATOM 38831 N N . LYS A 1 32 ? 12.915 2.285 2.783 1.00 0.00 ? 32 LYS A N 28 ATOM 38832 C CA . LYS A 1 32 ? 12.962 3.686 3.182 1.00 0.00 ? 32 LYS A CA 28 ATOM 38833 C C . LYS A 1 32 ? 14.070 3.908 4.206 1.00 0.00 ? 32 LYS A C 28 ATOM 38834 O O . LYS A 1 32 ? 14.589 5.017 4.342 1.00 0.00 ? 32 LYS A O 28 ATOM 38835 C CB . LYS A 1 32 ? 11.614 4.131 3.754 1.00 0.00 ? 32 LYS A CB 28 ATOM 38836 C CG . LYS A 1 32 ? 11.329 3.589 5.143 1.00 0.00 ? 32 LYS A CG 28 ATOM 38837 C CD . LYS A 1 32 ? 9.888 3.843 5.554 1.00 0.00 ? 32 LYS A CD 28 ATOM 38838 C CE . LYS A 1 32 ? 9.704 3.701 7.057 1.00 0.00 ? 32 LYS A CE 28 ATOM 38839 N NZ . LYS A 1 32 ? 8.433 3.006 7.398 1.00 0.00 ? 32 LYS A NZ 28 ATOM 38840 H H . LYS A 1 32 ? 12.233 1.696 3.171 1.00 0.00 ? 32 LYS A H 28 ATOM 38841 H HA . LYS A 1 32 ? 13.183 4.271 2.301 1.00 0.00 ? 32 LYS A HA 28 ATOM 38842 H HB2 . LYS A 1 32 ? 11.598 5.211 3.802 1.00 0.00 ? 32 LYS A HB2 28 ATOM 38843 H HB3 . LYS A 1 32 ? 10.828 3.799 3.091 1.00 0.00 ? 32 LYS A HB3 28 ATOM 38844 H HG2 . LYS A 1 32 ? 11.512 2.526 5.147 1.00 0.00 ? 32 LYS A HG2 28 ATOM 38845 H HG3 . LYS A 1 32 ? 11.987 4.072 5.849 1.00 0.00 ? 32 LYS A HG3 28 ATOM 38846 H HD2 . LYS A 1 32 ? 9.611 4.846 5.262 1.00 0.00 ? 32 LYS A HD2 28 ATOM 38847 H HD3 . LYS A 1 32 ? 9.249 3.132 5.054 1.00 0.00 ? 32 LYS A HD3 28 ATOM 38848 H HE2 . LYS A 1 32 ? 10.533 3.134 7.455 1.00 0.00 ? 32 LYS A HE2 28 ATOM 38849 H HE3 . LYS A 1 32 ? 9.697 4.686 7.501 1.00 0.00 ? 32 LYS A HE3 28 ATOM 38850 H HZ1 . LYS A 1 32 ? 8.051 2.526 6.557 1.00 0.00 ? 32 LYS A HZ1 28 ATOM 38851 H HZ2 . LYS A 1 32 ? 8.601 2.298 8.142 1.00 0.00 ? 32 LYS A HZ2 28 ATOM 38852 H HZ3 . LYS A 1 32 ? 7.731 3.691 7.741 1.00 0.00 ? 32 LYS A HZ3 28 ATOM 38853 N N . LYS A 1 33 ? 14.433 2.845 4.920 1.00 0.00 ? 33 LYS A N 28 ATOM 38854 C CA . LYS A 1 33 ? 15.486 2.922 5.922 1.00 0.00 ? 33 LYS A CA 28 ATOM 38855 C C . LYS A 1 33 ? 16.851 3.018 5.251 1.00 0.00 ? 33 LYS A C 28 ATOM 38856 O O . LYS A 1 33 ? 17.718 3.775 5.689 1.00 0.00 ? 33 LYS A O 28 ATOM 38857 C CB . LYS A 1 33 ? 15.439 1.698 6.839 1.00 0.00 ? 33 LYS A CB 28 ATOM 38858 C CG . LYS A 1 33 ? 14.760 1.961 8.172 1.00 0.00 ? 33 LYS A CG 28 ATOM 38859 C CD . LYS A 1 33 ? 14.948 0.797 9.132 1.00 0.00 ? 33 LYS A CD 28 ATOM 38860 C CE . LYS A 1 33 ? 16.418 0.455 9.311 1.00 0.00 ? 33 LYS A CE 28 ATOM 38861 N NZ . LYS A 1 33 ? 16.707 -0.048 10.683 1.00 0.00 ? 33 LYS A NZ 28 ATOM 38862 H H . LYS A 1 33 ? 13.987 1.986 4.762 1.00 0.00 ? 33 LYS A H 28 ATOM 38863 H HA . LYS A 1 33 ? 15.322 3.811 6.511 1.00 0.00 ? 33 LYS A HA 28 ATOM 38864 H HB2 . LYS A 1 33 ? 14.903 0.907 6.336 1.00 0.00 ? 33 LYS A HB2 28 ATOM 38865 H HB3 . LYS A 1 33 ? 16.449 1.369 7.033 1.00 0.00 ? 33 LYS A HB3 28 ATOM 38866 H HG2 . LYS A 1 33 ? 15.186 2.850 8.614 1.00 0.00 ? 33 LYS A HG2 28 ATOM 38867 H HG3 . LYS A 1 33 ? 13.704 2.112 8.004 1.00 0.00 ? 33 LYS A HG3 28 ATOM 38868 H HD2 . LYS A 1 33 ? 14.530 1.062 10.092 1.00 0.00 ? 33 LYS A HD2 28 ATOM 38869 H HD3 . LYS A 1 33 ? 14.431 -0.067 8.739 1.00 0.00 ? 33 LYS A HD3 28 ATOM 38870 H HE2 . LYS A 1 33 ? 16.688 -0.305 8.594 1.00 0.00 ? 33 LYS A HE2 28 ATOM 38871 H HE3 . LYS A 1 33 ? 17.005 1.344 9.132 1.00 0.00 ? 33 LYS A HE3 28 ATOM 38872 H HZ1 . LYS A 1 33 ? 16.125 -0.886 10.886 1.00 0.00 ? 33 LYS A HZ1 28 ATOM 38873 H HZ2 . LYS A 1 33 ? 17.710 -0.309 10.763 1.00 0.00 ? 33 LYS A HZ2 28 ATOM 38874 H HZ3 . LYS A 1 33 ? 16.494 0.687 11.386 1.00 0.00 ? 33 LYS A HZ3 28 ATOM 38875 N N . LEU A 1 34 ? 17.034 2.249 4.181 1.00 0.00 ? 34 LEU A N 28 ATOM 38876 C CA . LEU A 1 34 ? 18.292 2.254 3.447 1.00 0.00 ? 34 LEU A CA 28 ATOM 38877 C C . LEU A 1 34 ? 18.492 3.585 2.730 1.00 0.00 ? 34 LEU A C 28 ATOM 38878 O O . LEU A 1 34 ? 19.575 4.169 2.776 1.00 0.00 ? 34 LEU A O 28 ATOM 38879 C CB . LEU A 1 34 ? 18.323 1.104 2.437 1.00 0.00 ? 34 LEU A CB 28 ATOM 38880 C CG . LEU A 1 34 ? 19.707 0.502 2.185 1.00 0.00 ? 34 LEU A CG 28 ATOM 38881 C CD1 . LEU A 1 34 ? 19.586 -0.963 1.793 1.00 0.00 ? 34 LEU A CD1 28 ATOM 38882 C CD2 . LEU A 1 34 ? 20.441 1.285 1.107 1.00 0.00 ? 34 LEU A CD2 28 ATOM 38883 H H . LEU A 1 34 ? 16.302 1.668 3.876 1.00 0.00 ? 34 LEU A H 28 ATOM 38884 H HA . LEU A 1 34 ? 19.092 2.120 4.159 1.00 0.00 ? 34 LEU A HA 28 ATOM 38885 H HB2 . LEU A 1 34 ? 17.672 0.321 2.796 1.00 0.00 ? 34 LEU A HB2 28 ATOM 38886 H HB3 . LEU A 1 34 ? 17.938 1.469 1.497 1.00 0.00 ? 34 LEU A HB3 28 ATOM 38887 H HG . LEU A 1 34 ? 20.287 0.557 3.094 1.00 0.00 ? 34 LEU A HG 28 ATOM 38888 H HD11 . LEU A 1 34 ? 18.573 -1.169 1.479 1.00 0.00 ? 34 LEU A HD11 28 ATOM 38889 H HD12 . LEU A 1 34 ? 20.265 -1.175 0.980 1.00 0.00 ? 34 LEU A HD12 28 ATOM 38890 H HD13 . LEU A 1 34 ? 19.834 -1.584 2.640 1.00 0.00 ? 34 LEU A HD13 28 ATOM 38891 H HD21 . LEU A 1 34 ? 20.302 2.344 1.276 1.00 0.00 ? 34 LEU A HD21 28 ATOM 38892 H HD22 . LEU A 1 34 ? 21.494 1.049 1.146 1.00 0.00 ? 34 LEU A HD22 28 ATOM 38893 H HD23 . LEU A 1 34 ? 20.047 1.021 0.138 1.00 0.00 ? 34 LEU A HD23 28 ATOM 38894 N N . LYS A 1 35 ? 17.440 4.062 2.073 1.00 0.00 ? 35 LYS A N 28 ATOM 38895 C CA . LYS A 1 35 ? 17.501 5.328 1.353 1.00 0.00 ? 35 LYS A CA 28 ATOM 38896 C C . LYS A 1 35 ? 17.571 6.497 2.328 1.00 0.00 ? 35 LYS A C 28 ATOM 38897 O O . LYS A 1 35 ? 18.091 7.563 2.000 1.00 0.00 ? 35 LYS A O 28 ATOM 38898 C CB . LYS A 1 35 ? 16.284 5.481 0.438 1.00 0.00 ? 35 LYS A CB 28 ATOM 38899 C CG . LYS A 1 35 ? 16.399 6.643 -0.536 1.00 0.00 ? 35 LYS A CG 28 ATOM 38900 C CD . LYS A 1 35 ? 15.138 7.493 -0.538 1.00 0.00 ? 35 LYS A CD 28 ATOM 38901 C CE . LYS A 1 35 ? 13.924 6.689 -0.974 1.00 0.00 ? 35 LYS A CE 28 ATOM 38902 N NZ . LYS A 1 35 ? 12.678 7.503 -0.939 1.00 0.00 ? 35 LYS A NZ 28 ATOM 38903 H H . LYS A 1 35 ? 16.603 3.552 2.075 1.00 0.00 ? 35 LYS A H 28 ATOM 38904 H HA . LYS A 1 35 ? 18.397 5.325 0.751 1.00 0.00 ? 35 LYS A HA 28 ATOM 38905 H HB2 . LYS A 1 35 ? 16.161 4.572 -0.132 1.00 0.00 ? 35 LYS A HB2 28 ATOM 38906 H HB3 . LYS A 1 35 ? 15.407 5.636 1.048 1.00 0.00 ? 35 LYS A HB3 28 ATOM 38907 H HG2 . LYS A 1 35 ? 17.237 7.260 -0.248 1.00 0.00 ? 35 LYS A HG2 28 ATOM 38908 H HG3 . LYS A 1 35 ? 16.560 6.253 -1.530 1.00 0.00 ? 35 LYS A HG3 28 ATOM 38909 H HD2 . LYS A 1 35 ? 14.968 7.870 0.460 1.00 0.00 ? 35 LYS A HD2 28 ATOM 38910 H HD3 . LYS A 1 35 ? 15.275 8.321 -1.219 1.00 0.00 ? 35 LYS A HD3 28 ATOM 38911 H HE2 . LYS A 1 35 ? 14.085 6.338 -1.982 1.00 0.00 ? 35 LYS A HE2 28 ATOM 38912 H HE3 . LYS A 1 35 ? 13.812 5.845 -0.311 1.00 0.00 ? 35 LYS A HE3 28 ATOM 38913 H HZ1 . LYS A 1 35 ? 12.837 8.378 -0.400 1.00 0.00 ? 35 LYS A HZ1 28 ATOM 38914 H HZ2 . LYS A 1 35 ? 12.387 7.754 -1.906 1.00 0.00 ? 35 LYS A HZ2 28 ATOM 38915 H HZ3 . LYS A 1 35 ? 11.912 6.965 -0.486 1.00 0.00 ? 35 LYS A HZ3 28 ATOM 38916 N N . GLN A 1 36 ? 17.047 6.287 3.531 1.00 0.00 ? 36 GLN A N 28 ATOM 38917 C CA . GLN A 1 36 ? 17.055 7.321 4.558 1.00 0.00 ? 36 GLN A CA 28 ATOM 38918 C C . GLN A 1 36 ? 18.462 7.514 5.113 1.00 0.00 ? 36 GLN A C 28 ATOM 38919 O O . GLN A 1 36 ? 18.843 8.619 5.497 1.00 0.00 ? 36 GLN A O 28 ATOM 38920 C CB . GLN A 1 36 ? 16.091 6.959 5.688 1.00 0.00 ? 36 GLN A CB 28 ATOM 38921 C CG . GLN A 1 36 ? 16.126 7.935 6.853 1.00 0.00 ? 36 GLN A CG 28 ATOM 38922 C CD . GLN A 1 36 ? 14.820 7.971 7.623 1.00 0.00 ? 36 GLN A CD 28 ATOM 38923 O OE1 . GLN A 1 36 ? 13.854 7.297 7.263 1.00 0.00 ? 36 GLN A OE1 28 ATOM 38924 N NE2 . GLN A 1 36 ? 14.784 8.762 8.689 1.00 0.00 ? 36 GLN A NE2 28 ATOM 38925 H H . GLN A 1 36 ? 16.650 5.416 3.735 1.00 0.00 ? 36 GLN A H 28 ATOM 38926 H HA . GLN A 1 36 ? 16.731 8.244 4.101 1.00 0.00 ? 36 GLN A HA 28 ATOM 38927 H HB2 . GLN A 1 36 ? 15.086 6.935 5.294 1.00 0.00 ? 36 GLN A HB2 28 ATOM 38928 H HB3 . GLN A 1 36 ? 16.345 5.978 6.062 1.00 0.00 ? 36 GLN A HB3 28 ATOM 38929 H HG2 . GLN A 1 36 ? 16.915 7.643 7.528 1.00 0.00 ? 36 GLN A HG2 28 ATOM 38930 H HG3 . GLN A 1 36 ? 16.328 8.924 6.470 1.00 0.00 ? 36 GLN A HG3 28 ATOM 38931 H HE21 . GLN A 1 36 ? 15.589 9.270 8.916 1.00 0.00 ? 36 GLN A HE21 28 ATOM 38932 H HE22 . GLN A 1 36 ? 13.951 8.805 9.206 1.00 0.00 ? 36 GLN A HE22 28 ATOM 38933 N N . SER A 1 37 ? 19.231 6.429 5.147 1.00 0.00 ? 37 SER A N 28 ATOM 38934 C CA . SER A 1 37 ? 20.597 6.481 5.650 1.00 0.00 ? 37 SER A CA 28 ATOM 38935 C C . SER A 1 37 ? 21.464 7.371 4.767 1.00 0.00 ? 37 SER A C 28 ATOM 38936 O O . SER A 1 37 ? 22.456 7.939 5.224 1.00 0.00 ? 37 SER A O 28 ATOM 38937 C CB . SER A 1 37 ? 21.192 5.073 5.720 1.00 0.00 ? 37 SER A CB 28 ATOM 38938 O OG . SER A 1 37 ? 20.709 4.369 6.851 1.00 0.00 ? 37 SER A OG 28 ATOM 38939 H H . SER A 1 37 ? 18.871 5.576 4.823 1.00 0.00 ? 37 SER A H 28 ATOM 38940 H HA . SER A 1 37 ? 20.568 6.900 6.645 1.00 0.00 ? 37 SER A HA 28 ATOM 38941 H HB2 . SER A 1 37 ? 20.920 4.526 4.829 1.00 0.00 ? 37 SER A HB2 28 ATOM 38942 H HB3 . SER A 1 37 ? 22.267 5.141 5.786 1.00 0.00 ? 37 SER A HB3 28 ATOM 38943 H HG . SER A 1 37 ? 19.789 4.601 7.004 1.00 0.00 ? 37 SER A HG 28 ATOM 38944 N N . GLU A 1 38 ? 21.082 7.487 3.499 1.00 0.00 ? 38 GLU A N 28 ATOM 38945 C CA . GLU A 1 38 ? 21.823 8.310 2.551 1.00 0.00 ? 38 GLU A CA 28 ATOM 38946 C C . GLU A 1 38 ? 21.404 9.773 2.657 1.00 0.00 ? 38 GLU A C 28 ATOM 38947 O O . GLU A 1 38 ? 22.173 10.675 2.325 1.00 0.00 ? 38 GLU A O 28 ATOM 38948 C CB . GLU A 1 38 ? 21.601 7.806 1.123 1.00 0.00 ? 38 GLU A CB 28 ATOM 38949 C CG . GLU A 1 38 ? 22.216 8.700 0.059 1.00 0.00 ? 38 GLU A CG 28 ATOM 38950 C CD . GLU A 1 38 ? 21.196 9.612 -0.596 1.00 0.00 ? 38 GLU A CD 28 ATOM 38951 O OE1 . GLU A 1 38 ? 20.211 9.980 0.078 1.00 0.00 ? 38 GLU A OE1 28 ATOM 38952 O OE2 . GLU A 1 38 ? 21.384 9.959 -1.780 1.00 0.00 ? 38 GLU A OE2 28 ATOM 38953 H H . GLU A 1 38 ? 20.282 7.010 3.194 1.00 0.00 ? 38 GLU A H 28 ATOM 38954 H HA . GLU A 1 38 ? 22.872 8.230 2.791 1.00 0.00 ? 38 GLU A HA 28 ATOM 38955 H HB2 . GLU A 1 38 ? 22.035 6.821 1.030 1.00 0.00 ? 38 GLU A HB2 28 ATOM 38956 H HB3 . GLU A 1 38 ? 20.539 7.741 0.938 1.00 0.00 ? 38 GLU A HB3 28 ATOM 38957 H HG2 . GLU A 1 38 ? 22.980 9.310 0.517 1.00 0.00 ? 38 GLU A HG2 28 ATOM 38958 H HG3 . GLU A 1 38 ? 22.661 8.078 -0.703 1.00 0.00 ? 38 GLU A HG3 28 ATOM 38959 N N . ASP A 1 39 ? 20.180 10.000 3.121 1.00 0.00 ? 39 ASP A N 28 ATOM 38960 C CA . ASP A 1 39 ? 19.656 11.353 3.272 1.00 0.00 ? 39 ASP A CA 28 ATOM 38961 C C . ASP A 1 39 ? 20.117 11.975 4.586 1.00 0.00 ? 39 ASP A C 28 ATOM 38962 O O . ASP A 1 39 ? 20.166 13.198 4.720 1.00 0.00 ? 39 ASP A O 28 ATOM 38963 C CB . ASP A 1 39 ? 18.127 11.340 3.211 1.00 0.00 ? 39 ASP A CB 28 ATOM 38964 C CG . ASP A 1 39 ? 17.538 12.736 3.193 1.00 0.00 ? 39 ASP A CG 28 ATOM 38965 O OD1 . ASP A 1 39 ? 17.639 13.411 2.148 1.00 0.00 ? 39 ASP A OD1 28 ATOM 38966 O OD2 . ASP A 1 39 ? 16.972 13.154 4.226 1.00 0.00 ? 39 ASP A OD2 28 ATOM 38967 H H . ASP A 1 39 ? 19.614 9.239 3.368 1.00 0.00 ? 39 ASP A H 28 ATOM 38968 H HA . ASP A 1 39 ? 20.034 11.947 2.454 1.00 0.00 ? 39 ASP A HA 28 ATOM 38969 H HB2 . ASP A 1 39 ? 17.814 10.825 2.314 1.00 0.00 ? 39 ASP A HB2 28 ATOM 38970 H HB3 . ASP A 1 39 ? 17.743 10.816 4.074 1.00 0.00 ? 39 ASP A HB3 28 ATOM 38971 N N . ASP A 1 40 ? 20.456 11.128 5.554 1.00 0.00 ? 40 ASP A N 28 ATOM 38972 C CA . ASP A 1 40 ? 20.914 11.597 6.858 1.00 0.00 ? 40 ASP A CA 28 ATOM 38973 C C . ASP A 1 40 ? 22.001 12.657 6.707 1.00 0.00 ? 40 ASP A C 28 ATOM 38974 O O . ASP A 1 40 ? 23.186 12.336 6.614 1.00 0.00 ? 40 ASP A O 28 ATOM 38975 C CB . ASP A 1 40 ? 21.439 10.425 7.689 1.00 0.00 ? 40 ASP A CB 28 ATOM 38976 C CG . ASP A 1 40 ? 20.347 9.757 8.501 1.00 0.00 ? 40 ASP A CG 28 ATOM 38977 O OD1 . ASP A 1 40 ? 19.509 10.481 9.078 1.00 0.00 ? 40 ASP A OD1 28 ATOM 38978 O OD2 . ASP A 1 40 ? 20.331 8.509 8.562 1.00 0.00 ? 40 ASP A OD2 28 ATOM 38979 H H . ASP A 1 40 ? 20.397 10.164 5.388 1.00 0.00 ? 40 ASP A H 28 ATOM 38980 H HA . ASP A 1 40 ? 20.068 12.036 7.367 1.00 0.00 ? 40 ASP A HA 28 ATOM 38981 H HB2 . ASP A 1 40 ? 21.870 9.688 7.027 1.00 0.00 ? 40 ASP A HB2 28 ATOM 38982 H HB3 . ASP A 1 40 ? 22.199 10.785 8.367 1.00 0.00 ? 40 ASP A HB3 28 ATOM 38983 N N . ASP A 1 41 ? 21.589 13.921 6.685 1.00 0.00 ? 41 ASP A N 28 ATOM 38984 C CA . ASP A 1 41 ? 22.528 15.029 6.546 1.00 0.00 ? 41 ASP A CA 28 ATOM 38985 C C . ASP A 1 41 ? 22.646 15.810 7.850 1.00 0.00 ? 41 ASP A C 28 ATOM 38986 O O . ASP A 1 41 ? 23.509 16.709 7.924 1.00 0.00 ? 41 ASP A O 28 ATOM 38987 C CB . ASP A 1 41 ? 22.084 15.962 5.418 1.00 0.00 ? 41 ASP A CB 28 ATOM 38988 C CG . ASP A 1 41 ? 20.588 16.211 5.430 1.00 0.00 ? 41 ASP A CG 28 ATOM 38989 O OD1 . ASP A 1 41 ? 20.004 16.262 6.533 1.00 0.00 ? 41 ASP A OD1 28 ATOM 38990 O OD2 . ASP A 1 41 ? 20.001 16.357 4.337 1.00 0.00 ? 41 ASP A OD2 28 ATOM 38991 O OXT . ASP A 1 41 ? 21.874 15.516 8.786 1.00 0.00 ? 41 ASP A OXT 28 ATOM 38992 H H . ASP A 1 41 ? 20.632 14.113 6.763 1.00 0.00 ? 41 ASP A H 28 ATOM 38993 H HA . ASP A 1 41 ? 23.494 14.615 6.299 1.00 0.00 ? 41 ASP A HA 28 ATOM 38994 H HB2 . ASP A 1 41 ? 22.589 16.910 5.523 1.00 0.00 ? 41 ASP A HB2 28 ATOM 38995 H HB3 . ASP A 1 41 ? 22.348 15.520 4.468 1.00 0.00 ? 41 ASP A HB3 28 ATOM 38996 N N . ALA B 1 1 ? 23.533 14.912 -2.344 1.00 0.00 ? 1 ALA B N 28 ATOM 38997 C CA . ALA B 1 1 ? 23.383 13.459 -2.070 1.00 0.00 ? 1 ALA B CA 28 ATOM 38998 C C . ALA B 1 1 ? 23.063 12.691 -3.347 1.00 0.00 ? 1 ALA B C 28 ATOM 38999 O O . ALA B 1 1 ? 22.355 13.189 -4.223 1.00 0.00 ? 1 ALA B O 28 ATOM 39000 C CB . ALA B 1 1 ? 22.296 13.230 -1.030 1.00 0.00 ? 1 ALA B CB 28 ATOM 39001 H H1 . ALA B 1 1 ? 22.667 15.237 -2.819 1.00 0.00 ? 1 ALA B H1 28 ATOM 39002 H H2 . ALA B 1 1 ? 23.667 15.394 -1.432 1.00 0.00 ? 1 ALA B H2 28 ATOM 39003 H H3 . ALA B 1 1 ? 24.363 15.034 -2.959 1.00 0.00 ? 1 ALA B H3 28 ATOM 39004 H HA . ALA B 1 1 ? 24.315 13.092 -1.667 1.00 0.00 ? 1 ALA B HA 28 ATOM 39005 H HB1 . ALA B 1 1 ? 22.049 14.166 -0.554 1.00 0.00 ? 1 ALA B HB1 28 ATOM 39006 H HB2 . ALA B 1 1 ? 21.417 12.828 -1.512 1.00 0.00 ? 1 ALA B HB2 28 ATOM 39007 H HB3 . ALA B 1 1 ? 22.651 12.530 -0.288 1.00 0.00 ? 1 ALA B HB3 28 ATOM 39008 N N . LEU B 1 2 ? 23.588 11.475 -3.448 1.00 0.00 ? 2 LEU B N 28 ATOM 39009 C CA . LEU B 1 2 ? 23.358 10.636 -4.618 1.00 0.00 ? 2 LEU B CA 28 ATOM 39010 C C . LEU B 1 2 ? 23.516 9.159 -4.269 1.00 0.00 ? 2 LEU B C 28 ATOM 39011 O O . LEU B 1 2 ? 22.530 8.448 -4.072 1.00 0.00 ? 2 LEU B O 28 ATOM 39012 C CB . LEU B 1 2 ? 24.328 11.013 -5.740 1.00 0.00 ? 2 LEU B CB 28 ATOM 39013 C CG . LEU B 1 2 ? 23.767 11.978 -6.785 1.00 0.00 ? 2 LEU B CG 28 ATOM 39014 C CD1 . LEU B 1 2 ? 24.276 13.389 -6.536 1.00 0.00 ? 2 LEU B CD1 28 ATOM 39015 C CD2 . LEU B 1 2 ? 24.134 11.516 -8.187 1.00 0.00 ? 2 LEU B CD2 28 ATOM 39016 H H . LEU B 1 2 ? 24.144 11.132 -2.716 1.00 0.00 ? 2 LEU B H 28 ATOM 39017 H HA . LEU B 1 2 ? 22.348 10.807 -4.956 1.00 0.00 ? 2 LEU B HA 28 ATOM 39018 H HB2 . LEU B 1 2 ? 25.202 11.465 -5.293 1.00 0.00 ? 2 LEU B HB2 28 ATOM 39019 H HB3 . LEU B 1 2 ? 24.632 10.108 -6.244 1.00 0.00 ? 2 LEU B HB3 28 ATOM 39020 H HG . LEU B 1 2 ? 22.689 11.994 -6.708 1.00 0.00 ? 2 LEU B HG 28 ATOM 39021 H HD11 . LEU B 1 2 ? 25.168 13.348 -5.927 1.00 0.00 ? 2 LEU B HD11 28 ATOM 39022 H HD12 . LEU B 1 2 ? 24.506 13.861 -7.480 1.00 0.00 ? 2 LEU B HD12 28 ATOM 39023 H HD13 . LEU B 1 2 ? 23.516 13.961 -6.023 1.00 0.00 ? 2 LEU B HD13 28 ATOM 39024 H HD21 . LEU B 1 2 ? 24.105 10.438 -8.231 1.00 0.00 ? 2 LEU B HD21 28 ATOM 39025 H HD22 . LEU B 1 2 ? 23.429 11.925 -8.897 1.00 0.00 ? 2 LEU B HD22 28 ATOM 39026 H HD23 . LEU B 1 2 ? 25.129 11.860 -8.430 1.00 0.00 ? 2 LEU B HD23 28 ATOM 39027 N N . LYS B 1 3 ? 24.763 8.704 -4.191 1.00 0.00 ? 3 LYS B N 28 ATOM 39028 C CA . LYS B 1 3 ? 25.051 7.312 -3.864 1.00 0.00 ? 3 LYS B CA 28 ATOM 39029 C C . LYS B 1 3 ? 24.510 6.377 -4.940 1.00 0.00 ? 3 LYS B C 28 ATOM 39030 O O . LYS B 1 3 ? 23.450 6.624 -5.515 1.00 0.00 ? 3 LYS B O 28 ATOM 39031 C CB . LYS B 1 3 ? 24.445 6.950 -2.505 1.00 0.00 ? 3 LYS B CB 28 ATOM 39032 C CG . LYS B 1 3 ? 25.388 7.186 -1.338 1.00 0.00 ? 3 LYS B CG 28 ATOM 39033 C CD . LYS B 1 3 ? 25.064 8.482 -0.613 1.00 0.00 ? 3 LYS B CD 28 ATOM 39034 C CE . LYS B 1 3 ? 26.312 9.320 -0.380 1.00 0.00 ? 3 LYS B CE 28 ATOM 39035 N NZ . LYS B 1 3 ? 26.314 9.949 0.969 1.00 0.00 ? 3 LYS B NZ 28 ATOM 39036 H H . LYS B 1 3 ? 25.508 9.319 -4.356 1.00 0.00 ? 3 LYS B H 28 ATOM 39037 H HA . LYS B 1 3 ? 26.123 7.199 -3.811 1.00 0.00 ? 3 LYS B HA 28 ATOM 39038 H HB2 . LYS B 1 3 ? 23.558 7.545 -2.350 1.00 0.00 ? 3 LYS B HB2 28 ATOM 39039 H HB3 . LYS B 1 3 ? 24.171 5.906 -2.513 1.00 0.00 ? 3 LYS B HB3 28 ATOM 39040 H HG2 . LYS B 1 3 ? 25.298 6.365 -0.642 1.00 0.00 ? 3 LYS B HG2 28 ATOM 39041 H HG3 . LYS B 1 3 ? 26.402 7.237 -1.709 1.00 0.00 ? 3 LYS B HG3 28 ATOM 39042 H HD2 . LYS B 1 3 ? 24.366 9.052 -1.209 1.00 0.00 ? 3 LYS B HD2 28 ATOM 39043 H HD3 . LYS B 1 3 ? 24.615 8.247 0.342 1.00 0.00 ? 3 LYS B HD3 28 ATOM 39044 H HE2 . LYS B 1 3 ? 27.179 8.683 -0.472 1.00 0.00 ? 3 LYS B HE2 28 ATOM 39045 H HE3 . LYS B 1 3 ? 26.354 10.096 -1.130 1.00 0.00 ? 3 LYS B HE3 28 ATOM 39046 H HZ1 . LYS B 1 3 ? 25.468 10.541 1.089 1.00 0.00 ? 3 LYS B HZ1 28 ATOM 39047 H HZ2 . LYS B 1 3 ? 26.318 9.215 1.707 1.00 0.00 ? 3 LYS B HZ2 28 ATOM 39048 H HZ3 . LYS B 1 3 ? 27.160 10.543 1.084 1.00 0.00 ? 3 LYS B HZ3 28 ATOM 39049 N N . LYS B 1 4 ? 25.245 5.303 -5.206 1.00 0.00 ? 4 LYS B N 28 ATOM 39050 C CA . LYS B 1 4 ? 24.840 4.329 -6.215 1.00 0.00 ? 4 LYS B CA 28 ATOM 39051 C C . LYS B 1 4 ? 24.466 3.000 -5.567 1.00 0.00 ? 4 LYS B C 28 ATOM 39052 O O . LYS B 1 4 ? 23.410 2.435 -5.850 1.00 0.00 ? 4 LYS B O 28 ATOM 39053 C CB . LYS B 1 4 ? 25.961 4.114 -7.233 1.00 0.00 ? 4 LYS B CB 28 ATOM 39054 C CG . LYS B 1 4 ? 27.357 4.224 -6.640 1.00 0.00 ? 4 LYS B CG 28 ATOM 39055 C CD . LYS B 1 4 ? 28.429 4.054 -7.703 1.00 0.00 ? 4 LYS B CD 28 ATOM 39056 C CE . LYS B 1 4 ? 29.324 5.280 -7.792 1.00 0.00 ? 4 LYS B CE 28 ATOM 39057 N NZ . LYS B 1 4 ? 29.994 5.384 -9.118 1.00 0.00 ? 4 LYS B NZ 28 ATOM 39058 H H . LYS B 1 4 ? 26.081 5.160 -4.714 1.00 0.00 ? 4 LYS B H 28 ATOM 39059 H HA . LYS B 1 4 ? 23.973 4.722 -6.725 1.00 0.00 ? 4 LYS B HA 28 ATOM 39060 H HB2 . LYS B 1 4 ? 25.855 3.130 -7.667 1.00 0.00 ? 4 LYS B HB2 28 ATOM 39061 H HB3 . LYS B 1 4 ? 25.868 4.853 -8.016 1.00 0.00 ? 4 LYS B HB3 28 ATOM 39062 H HG2 . LYS B 1 4 ? 27.467 5.195 -6.183 1.00 0.00 ? 4 LYS B HG2 28 ATOM 39063 H HG3 . LYS B 1 4 ? 27.480 3.454 -5.891 1.00 0.00 ? 4 LYS B HG3 28 ATOM 39064 H HD2 . LYS B 1 4 ? 29.036 3.197 -7.456 1.00 0.00 ? 4 LYS B HD2 28 ATOM 39065 H HD3 . LYS B 1 4 ? 27.952 3.898 -8.660 1.00 0.00 ? 4 LYS B HD3 28 ATOM 39066 H HE2 . LYS B 1 4 ? 28.722 6.163 -7.634 1.00 0.00 ? 4 LYS B HE2 28 ATOM 39067 H HE3 . LYS B 1 4 ? 30.078 5.217 -7.021 1.00 0.00 ? 4 LYS B HE3 28 ATOM 39068 H HZ1 . LYS B 1 4 ? 29.957 4.467 -9.610 1.00 0.00 ? 4 LYS B HZ1 28 ATOM 39069 H HZ2 . LYS B 1 4 ? 29.518 6.099 -9.704 1.00 0.00 ? 4 LYS B HZ2 28 ATOM 39070 H HZ3 . LYS B 1 4 ? 30.989 5.658 -8.995 1.00 0.00 ? 4 LYS B HZ3 28 ATOM 39071 N N . HIS B 1 5 ? 25.337 2.507 -4.692 1.00 0.00 ? 5 HIS B N 28 ATOM 39072 C CA . HIS B 1 5 ? 25.096 1.246 -4.001 1.00 0.00 ? 5 HIS B CA 28 ATOM 39073 C C . HIS B 1 5 ? 23.728 1.257 -3.326 1.00 0.00 ? 5 HIS B C 28 ATOM 39074 O O . HIS B 1 5 ? 22.966 0.292 -3.421 1.00 0.00 ? 5 HIS B O 28 ATOM 39075 C CB . HIS B 1 5 ? 26.189 0.990 -2.961 1.00 0.00 ? 5 HIS B CB 28 ATOM 39076 C CG . HIS B 1 5 ? 26.647 2.230 -2.255 1.00 0.00 ? 5 HIS B CG 28 ATOM 39077 N ND1 . HIS B 1 5 ? 27.824 2.880 -2.563 1.00 0.00 ? 5 HIS B ND1 28 ATOM 39078 C CD2 . HIS B 1 5 ? 26.079 2.940 -1.252 1.00 0.00 ? 5 HIS B CD2 28 ATOM 39079 C CE1 . HIS B 1 5 ? 27.961 3.936 -1.779 1.00 0.00 ? 5 HIS B CE1 28 ATOM 39080 N NE2 . HIS B 1 5 ? 26.915 3.994 -0.976 1.00 0.00 ? 5 HIS B NE2 28 ATOM 39081 H H . HIS B 1 5 ? 26.160 3.006 -4.506 1.00 0.00 ? 5 HIS B H 28 ATOM 39082 H HA . HIS B 1 5 ? 25.116 0.455 -4.736 1.00 0.00 ? 5 HIS B HA 28 ATOM 39083 H HB2 . HIS B 1 5 ? 25.814 0.305 -2.216 1.00 0.00 ? 5 HIS B HB2 28 ATOM 39084 H HB3 . HIS B 1 5 ? 27.046 0.550 -3.450 1.00 0.00 ? 5 HIS B HB3 28 ATOM 39085 H HD1 . HIS B 1 5 ? 28.465 2.608 -3.253 1.00 0.00 ? 5 HIS B HD1 28 ATOM 39086 H HD2 . HIS B 1 5 ? 25.141 2.721 -0.762 1.00 0.00 ? 5 HIS B HD2 28 ATOM 39087 H HE1 . HIS B 1 5 ? 28.786 4.632 -1.795 1.00 0.00 ? 5 HIS B HE1 28 ATOM 39088 H HE2 . HIS B 1 5 ? 26.763 4.681 -0.294 1.00 0.00 ? 5 HIS B HE2 28 ATOM 39089 N N . HIS B 1 6 ? 23.423 2.358 -2.650 1.00 0.00 ? 6 HIS B N 28 ATOM 39090 C CA . HIS B 1 6 ? 22.147 2.498 -1.962 1.00 0.00 ? 6 HIS B CA 28 ATOM 39091 C C . HIS B 1 6 ? 20.999 2.496 -2.959 1.00 0.00 ? 6 HIS B C 28 ATOM 39092 O O . HIS B 1 6 ? 20.054 1.731 -2.815 1.00 0.00 ? 6 HIS B O 28 ATOM 39093 C CB . HIS B 1 6 ? 22.123 3.782 -1.131 1.00 0.00 ? 6 HIS B CB 28 ATOM 39094 C CG . HIS B 1 6 ? 22.379 3.558 0.326 1.00 0.00 ? 6 HIS B CG 28 ATOM 39095 N ND1 . HIS B 1 6 ? 23.199 2.556 0.801 1.00 0.00 ? 6 HIS B ND1 28 ATOM 39096 C CD2 . HIS B 1 6 ? 21.918 4.214 1.418 1.00 0.00 ? 6 HIS B CD2 28 ATOM 39097 C CE1 . HIS B 1 6 ? 23.231 2.604 2.121 1.00 0.00 ? 6 HIS B CE1 28 ATOM 39098 N NE2 . HIS B 1 6 ? 22.463 3.601 2.519 1.00 0.00 ? 6 HIS B NE2 28 ATOM 39099 H H . HIS B 1 6 ? 24.070 3.093 -2.615 1.00 0.00 ? 6 HIS B H 28 ATOM 39100 H HA . HIS B 1 6 ? 22.032 1.648 -1.305 1.00 0.00 ? 6 HIS B HA 28 ATOM 39101 H HB2 . HIS B 1 6 ? 22.881 4.456 -1.502 1.00 0.00 ? 6 HIS B HB2 28 ATOM 39102 H HB3 . HIS B 1 6 ? 21.154 4.249 -1.233 1.00 0.00 ? 6 HIS B HB3 28 ATOM 39103 H HD1 . HIS B 1 6 ? 23.686 1.906 0.252 1.00 0.00 ? 6 HIS B HD1 28 ATOM 39104 H HD2 . HIS B 1 6 ? 21.247 5.061 1.422 1.00 0.00 ? 6 HIS B HD2 28 ATOM 39105 H HE1 . HIS B 1 6 ? 23.791 1.941 2.765 1.00 0.00 ? 6 HIS B HE1 28 ATOM 39106 H HE2 . HIS B 1 6 ? 22.308 3.858 3.452 1.00 0.00 ? 6 HIS B HE2 28 ATOM 39107 N N . GLU B 1 7 ? 21.092 3.350 -3.972 1.00 0.00 ? 7 GLU B N 28 ATOM 39108 C CA . GLU B 1 7 ? 20.060 3.430 -4.998 1.00 0.00 ? 7 GLU B CA 28 ATOM 39109 C C . GLU B 1 7 ? 19.838 2.067 -5.651 1.00 0.00 ? 7 GLU B C 28 ATOM 39110 O O . GLU B 1 7 ? 18.790 1.820 -6.247 1.00 0.00 ? 7 GLU B O 28 ATOM 39111 C CB . GLU B 1 7 ? 20.443 4.462 -6.060 1.00 0.00 ? 7 GLU B CB 28 ATOM 39112 C CG . GLU B 1 7 ? 19.478 5.633 -6.146 1.00 0.00 ? 7 GLU B CG 28 ATOM 39113 C CD . GLU B 1 7 ? 19.639 6.428 -7.426 1.00 0.00 ? 7 GLU B CD 28 ATOM 39114 O OE1 . GLU B 1 7 ? 20.625 7.186 -7.534 1.00 0.00 ? 7 GLU B OE1 28 ATOM 39115 O OE2 . GLU B 1 7 ? 18.779 6.293 -8.321 1.00 0.00 ? 7 GLU B OE2 28 ATOM 39116 H H . GLU B 1 7 ? 21.871 3.933 -4.035 1.00 0.00 ? 7 GLU B H 28 ATOM 39117 H HA . GLU B 1 7 ? 19.142 3.741 -4.521 1.00 0.00 ? 7 GLU B HA 28 ATOM 39118 H HB2 . GLU B 1 7 ? 21.425 4.848 -5.831 1.00 0.00 ? 7 GLU B HB2 28 ATOM 39119 H HB3 . GLU B 1 7 ? 20.473 3.975 -7.023 1.00 0.00 ? 7 GLU B HB3 28 ATOM 39120 H HG2 . GLU B 1 7 ? 18.468 5.254 -6.101 1.00 0.00 ? 7 GLU B HG2 28 ATOM 39121 H HG3 . GLU B 1 7 ? 19.653 6.289 -5.306 1.00 0.00 ? 7 GLU B HG3 28 ATOM 39122 N N . ASN B 1 8 ? 20.829 1.182 -5.534 1.00 0.00 ? 8 ASN B N 28 ATOM 39123 C CA . ASN B 1 8 ? 20.732 -0.155 -6.110 1.00 0.00 ? 8 ASN B CA 28 ATOM 39124 C C . ASN B 1 8 ? 19.770 -1.017 -5.300 1.00 0.00 ? 8 ASN B C 28 ATOM 39125 O O . ASN B 1 8 ? 18.748 -1.474 -5.813 1.00 0.00 ? 8 ASN B O 28 ATOM 39126 C CB . ASN B 1 8 ? 22.111 -0.816 -6.164 1.00 0.00 ? 8 ASN B CB 28 ATOM 39127 C CG . ASN B 1 8 ? 23.118 0.008 -6.941 1.00 0.00 ? 8 ASN B CG 28 ATOM 39128 O OD1 . ASN B 1 8 ? 22.752 0.921 -7.682 1.00 0.00 ? 8 ASN B OD1 28 ATOM 39129 N ND2 . ASN B 1 8 ? 24.396 -0.310 -6.776 1.00 0.00 ? 8 ASN B ND2 28 ATOM 39130 H H . ASN B 1 8 ? 21.641 1.432 -5.047 1.00 0.00 ? 8 ASN B H 28 ATOM 39131 H HA . ASN B 1 8 ? 20.349 -0.056 -7.114 1.00 0.00 ? 8 ASN B HA 28 ATOM 39132 H HB2 . ASN B 1 8 ? 22.481 -0.946 -5.158 1.00 0.00 ? 8 ASN B HB2 28 ATOM 39133 H HB3 . ASN B 1 8 ? 22.022 -1.782 -6.638 1.00 0.00 ? 8 ASN B HB3 28 ATOM 39134 H HD21 . ASN B 1 8 ? 24.615 -1.048 -6.171 1.00 0.00 ? 8 ASN B HD21 28 ATOM 39135 H HD22 . ASN B 1 8 ? 25.070 0.207 -7.266 1.00 0.00 ? 8 ASN B HD22 28 ATOM 39136 N N . GLU B 1 9 ? 20.090 -1.219 -4.023 1.00 0.00 ? 9 GLU B N 28 ATOM 39137 C CA . GLU B 1 9 ? 19.232 -2.010 -3.146 1.00 0.00 ? 9 GLU B CA 28 ATOM 39138 C C . GLU B 1 9 ? 17.941 -1.252 -2.820 1.00 0.00 ? 9 GLU B C 28 ATOM 39139 O O . GLU B 1 9 ? 17.012 -1.808 -2.232 1.00 0.00 ? 9 GLU B O 28 ATOM 39140 C CB . GLU B 1 9 ? 19.973 -2.360 -1.853 1.00 0.00 ? 9 GLU B CB 28 ATOM 39141 C CG . GLU B 1 9 ? 21.395 -2.844 -2.079 1.00 0.00 ? 9 GLU B CG 28 ATOM 39142 C CD . GLU B 1 9 ? 22.094 -3.224 -0.789 1.00 0.00 ? 9 GLU B CD 28 ATOM 39143 O OE1 . GLU B 1 9 ? 21.987 -2.457 0.191 1.00 0.00 ? 9 GLU B OE1 28 ATOM 39144 O OE2 . GLU B 1 9 ? 22.749 -4.287 -0.758 1.00 0.00 ? 9 GLU B OE2 28 ATOM 39145 H H . GLU B 1 9 ? 20.911 -0.813 -3.659 1.00 0.00 ? 9 GLU B H 28 ATOM 39146 H HA . GLU B 1 9 ? 18.979 -2.922 -3.665 1.00 0.00 ? 9 GLU B HA 28 ATOM 39147 H HB2 . GLU B 1 9 ? 20.009 -1.483 -1.224 1.00 0.00 ? 9 GLU B HB2 28 ATOM 39148 H HB3 . GLU B 1 9 ? 19.428 -3.138 -1.340 1.00 0.00 ? 9 GLU B HB3 28 ATOM 39149 H HG2 . GLU B 1 9 ? 21.369 -3.710 -2.725 1.00 0.00 ? 9 GLU B HG2 28 ATOM 39150 H HG3 . GLU B 1 9 ? 21.959 -2.057 -2.559 1.00 0.00 ? 9 GLU B HG3 28 ATOM 39151 N N . ILE B 1 10 ? 17.893 0.021 -3.214 1.00 0.00 ? 10 ILE B N 28 ATOM 39152 C CA . ILE B 1 10 ? 16.737 0.867 -2.979 1.00 0.00 ? 10 ILE B CA 28 ATOM 39153 C C . ILE B 1 10 ? 15.784 0.790 -4.167 1.00 0.00 ? 10 ILE B C 28 ATOM 39154 O O . ILE B 1 10 ? 14.570 0.915 -4.014 1.00 0.00 ? 10 ILE B O 28 ATOM 39155 C CB . ILE B 1 10 ? 17.191 2.330 -2.735 1.00 0.00 ? 10 ILE B CB 28 ATOM 39156 C CG1 . ILE B 1 10 ? 17.879 2.445 -1.374 1.00 0.00 ? 10 ILE B CG1 28 ATOM 39157 C CG2 . ILE B 1 10 ? 16.032 3.316 -2.818 1.00 0.00 ? 10 ILE B CG2 28 ATOM 39158 C CD1 . ILE B 1 10 ? 18.685 3.714 -1.210 1.00 0.00 ? 10 ILE B CD1 28 ATOM 39159 H H . ILE B 1 10 ? 18.655 0.402 -3.684 1.00 0.00 ? 10 ILE B H 28 ATOM 39160 H HA . ILE B 1 10 ? 16.230 0.509 -2.094 1.00 0.00 ? 10 ILE B HA 28 ATOM 39161 H HB . ILE B 1 10 ? 17.902 2.591 -3.504 1.00 0.00 ? 10 ILE B HB 28 ATOM 39162 H HG12 . ILE B 1 10 ? 17.129 2.426 -0.597 1.00 0.00 ? 10 ILE B HG12 28 ATOM 39163 H HG13 . ILE B 1 10 ? 18.547 1.606 -1.243 1.00 0.00 ? 10 ILE B HG13 28 ATOM 39164 H HG21 . ILE B 1 10 ? 15.483 3.154 -3.733 1.00 0.00 ? 10 ILE B HG21 28 ATOM 39165 H HG22 . ILE B 1 10 ? 15.377 3.175 -1.973 1.00 0.00 ? 10 ILE B HG22 28 ATOM 39166 H HG23 . ILE B 1 10 ? 16.422 4.323 -2.808 1.00 0.00 ? 10 ILE B HG23 28 ATOM 39167 H HD11 . ILE B 1 10 ? 19.215 3.925 -2.128 1.00 0.00 ? 10 ILE B HD11 28 ATOM 39168 H HD12 . ILE B 1 10 ? 18.021 4.535 -0.982 1.00 0.00 ? 10 ILE B HD12 28 ATOM 39169 H HD13 . ILE B 1 10 ? 19.394 3.590 -0.406 1.00 0.00 ? 10 ILE B HD13 28 ATOM 39170 N N . SER B 1 11 ? 16.347 0.563 -5.348 1.00 0.00 ? 11 SER B N 28 ATOM 39171 C CA . SER B 1 11 ? 15.548 0.446 -6.557 1.00 0.00 ? 11 SER B CA 28 ATOM 39172 C C . SER B 1 11 ? 14.907 -0.931 -6.618 1.00 0.00 ? 11 SER B C 28 ATOM 39173 O O . SER B 1 11 ? 13.822 -1.102 -7.174 1.00 0.00 ? 11 SER B O 28 ATOM 39174 C CB . SER B 1 11 ? 16.412 0.683 -7.798 1.00 0.00 ? 11 SER B CB 28 ATOM 39175 O OG . SER B 1 11 ? 16.238 1.998 -8.297 1.00 0.00 ? 11 SER B OG 28 ATOM 39176 H H . SER B 1 11 ? 17.319 0.457 -5.404 1.00 0.00 ? 11 SER B H 28 ATOM 39177 H HA . SER B 1 11 ? 14.770 1.193 -6.517 1.00 0.00 ? 11 SER B HA 28 ATOM 39178 H HB2 . SER B 1 11 ? 17.451 0.544 -7.542 1.00 0.00 ? 11 SER B HB2 28 ATOM 39179 H HB3 . SER B 1 11 ? 16.133 -0.022 -8.568 1.00 0.00 ? 11 SER B HB3 28 ATOM 39180 H HG . SER B 1 11 ? 15.362 2.081 -8.681 1.00 0.00 ? 11 SER B HG 28 ATOM 39181 N N . HIS B 1 12 ? 15.582 -1.910 -6.022 1.00 0.00 ? 12 HIS B N 28 ATOM 39182 C CA . HIS B 1 12 ? 15.076 -3.269 -5.987 1.00 0.00 ? 12 HIS B CA 28 ATOM 39183 C C . HIS B 1 12 ? 13.994 -3.382 -4.909 1.00 0.00 ? 12 HIS B C 28 ATOM 39184 O O . HIS B 1 12 ? 12.882 -3.842 -5.180 1.00 0.00 ? 12 HIS B O 28 ATOM 39185 C CB . HIS B 1 12 ? 16.246 -4.254 -5.764 1.00 0.00 ? 12 HIS B CB 28 ATOM 39186 C CG . HIS B 1 12 ? 15.970 -5.392 -4.825 1.00 0.00 ? 12 HIS B CG 28 ATOM 39187 N ND1 . HIS B 1 12 ? 15.511 -6.624 -5.241 1.00 0.00 ? 12 HIS B ND1 28 ATOM 39188 C CD2 . HIS B 1 12 ? 16.096 -5.472 -3.483 1.00 0.00 ? 12 HIS B CD2 28 ATOM 39189 C CE1 . HIS B 1 12 ? 15.366 -7.413 -4.192 1.00 0.00 ? 12 HIS B CE1 28 ATOM 39190 N NE2 . HIS B 1 12 ? 15.715 -6.737 -3.113 1.00 0.00 ? 12 HIS B NE2 28 ATOM 39191 H H . HIS B 1 12 ? 16.437 -1.708 -5.583 1.00 0.00 ? 12 HIS B H 28 ATOM 39192 H HA . HIS B 1 12 ? 14.623 -3.473 -6.947 1.00 0.00 ? 12 HIS B HA 28 ATOM 39193 H HB2 . HIS B 1 12 ? 16.524 -4.680 -6.715 1.00 0.00 ? 12 HIS B HB2 28 ATOM 39194 H HB3 . HIS B 1 12 ? 17.089 -3.702 -5.373 1.00 0.00 ? 12 HIS B HB3 28 ATOM 39195 H HD1 . HIS B 1 12 ? 15.320 -6.881 -6.167 1.00 0.00 ? 12 HIS B HD1 28 ATOM 39196 H HD2 . HIS B 1 12 ? 16.433 -4.682 -2.826 1.00 0.00 ? 12 HIS B HD2 28 ATOM 39197 H HE1 . HIS B 1 12 ? 15.022 -8.437 -4.213 1.00 0.00 ? 12 HIS B HE1 28 ATOM 39198 H HE2 . HIS B 1 12 ? 15.704 -7.086 -2.197 1.00 0.00 ? 12 HIS B HE2 28 ATOM 39199 N N . HIS B 1 13 ? 14.311 -2.940 -3.692 1.00 0.00 ? 13 HIS B N 28 ATOM 39200 C CA . HIS B 1 13 ? 13.338 -2.984 -2.611 1.00 0.00 ? 13 HIS B CA 28 ATOM 39201 C C . HIS B 1 13 ? 12.161 -2.078 -2.940 1.00 0.00 ? 13 HIS B C 28 ATOM 39202 O O . HIS B 1 13 ? 11.040 -2.317 -2.499 1.00 0.00 ? 13 HIS B O 28 ATOM 39203 C CB . HIS B 1 13 ? 13.955 -2.548 -1.284 1.00 0.00 ? 13 HIS B CB 28 ATOM 39204 C CG . HIS B 1 13 ? 15.049 -3.435 -0.789 1.00 0.00 ? 13 HIS B CG 28 ATOM 39205 N ND1 . HIS B 1 13 ? 15.076 -4.798 -0.994 1.00 0.00 ? 13 HIS B ND1 28 ATOM 39206 C CD2 . HIS B 1 13 ? 16.157 -3.141 -0.074 1.00 0.00 ? 13 HIS B CD2 28 ATOM 39207 C CE1 . HIS B 1 13 ? 16.156 -5.305 -0.425 1.00 0.00 ? 13 HIS B CE1 28 ATOM 39208 N NE2 . HIS B 1 13 ? 16.828 -4.320 0.139 1.00 0.00 ? 13 HIS B NE2 28 ATOM 39209 H H . HIS B 1 13 ? 15.205 -2.564 -3.525 1.00 0.00 ? 13 HIS B H 28 ATOM 39210 H HA . HIS B 1 13 ? 12.984 -4.001 -2.522 1.00 0.00 ? 13 HIS B HA 28 ATOM 39211 H HB2 . HIS B 1 13 ? 14.359 -1.554 -1.392 1.00 0.00 ? 13 HIS B HB2 28 ATOM 39212 H HB3 . HIS B 1 13 ? 13.181 -2.536 -0.533 1.00 0.00 ? 13 HIS B HB3 28 ATOM 39213 H HD1 . HIS B 1 13 ? 14.404 -5.316 -1.485 1.00 0.00 ? 13 HIS B HD1 28 ATOM 39214 H HD2 . HIS B 1 13 ? 16.450 -2.160 0.272 1.00 0.00 ? 13 HIS B HD2 28 ATOM 39215 H HE1 . HIS B 1 13 ? 16.438 -6.347 -0.420 1.00 0.00 ? 13 HIS B HE1 28 ATOM 39216 H HE2 . HIS B 1 13 ? 17.671 -4.417 0.630 1.00 0.00 ? 13 HIS B HE2 28 ATOM 39217 N N . ALA B 1 14 ? 12.427 -1.035 -3.725 1.00 0.00 ? 14 ALA B N 28 ATOM 39218 C CA . ALA B 1 14 ? 11.390 -0.094 -4.120 1.00 0.00 ? 14 ALA B CA 28 ATOM 39219 C C . ALA B 1 14 ? 10.351 -0.784 -4.993 1.00 0.00 ? 14 ALA B C 28 ATOM 39220 O O . ALA B 1 14 ? 9.150 -0.693 -4.738 1.00 0.00 ? 14 ALA B O 28 ATOM 39221 C CB . ALA B 1 14 ? 12.000 1.091 -4.854 1.00 0.00 ? 14 ALA B CB 28 ATOM 39222 H H . ALA B 1 14 ? 13.344 -0.899 -4.048 1.00 0.00 ? 14 ALA B H 28 ATOM 39223 H HA . ALA B 1 14 ? 10.910 0.272 -3.225 1.00 0.00 ? 14 ALA B HA 28 ATOM 39224 H HB1 . ALA B 1 14 ? 12.842 0.756 -5.442 1.00 0.00 ? 14 ALA B HB1 28 ATOM 39225 H HB2 . ALA B 1 14 ? 12.333 1.827 -4.137 1.00 0.00 ? 14 ALA B HB2 28 ATOM 39226 H HB3 . ALA B 1 14 ? 11.260 1.531 -5.506 1.00 0.00 ? 14 ALA B HB3 28 ATOM 39227 N N . LYS B 1 15 ? 10.823 -1.484 -6.020 1.00 0.00 ? 15 LYS B N 28 ATOM 39228 C CA . LYS B 1 15 ? 9.932 -2.201 -6.921 1.00 0.00 ? 15 LYS B CA 28 ATOM 39229 C C . LYS B 1 15 ? 9.085 -3.196 -6.137 1.00 0.00 ? 15 LYS B C 28 ATOM 39230 O O . LYS B 1 15 ? 7.937 -3.464 -6.486 1.00 0.00 ? 15 LYS B O 28 ATOM 39231 C CB . LYS B 1 15 ? 10.735 -2.930 -8.000 1.00 0.00 ? 15 LYS B CB 28 ATOM 39232 C CG . LYS B 1 15 ? 10.666 -2.262 -9.363 1.00 0.00 ? 15 LYS B CG 28 ATOM 39233 C CD . LYS B 1 15 ? 11.558 -2.967 -10.373 1.00 0.00 ? 15 LYS B CD 28 ATOM 39234 C CE . LYS B 1 15 ? 10.738 -3.674 -11.441 1.00 0.00 ? 15 LYS B CE 28 ATOM 39235 N NZ . LYS B 1 15 ? 10.187 -4.968 -10.953 1.00 0.00 ? 15 LYS B NZ 28 ATOM 39236 H H . LYS B 1 15 ? 11.791 -1.528 -6.168 1.00 0.00 ? 15 LYS B H 28 ATOM 39237 H HA . LYS B 1 15 ? 9.280 -1.479 -7.390 1.00 0.00 ? 15 LYS B HA 28 ATOM 39238 H HB2 . LYS B 1 15 ? 11.769 -2.972 -7.695 1.00 0.00 ? 15 LYS B HB2 28 ATOM 39239 H HB3 . LYS B 1 15 ? 10.355 -3.936 -8.096 1.00 0.00 ? 15 LYS B HB3 28 ATOM 39240 H HG2 . LYS B 1 15 ? 9.647 -2.291 -9.717 1.00 0.00 ? 15 LYS B HG2 28 ATOM 39241 H HG3 . LYS B 1 15 ? 10.988 -1.236 -9.267 1.00 0.00 ? 15 LYS B HG3 28 ATOM 39242 H HD2 . LYS B 1 15 ? 12.195 -2.237 -10.847 1.00 0.00 ? 15 LYS B HD2 28 ATOM 39243 H HD3 . LYS B 1 15 ? 12.164 -3.696 -9.856 1.00 0.00 ? 15 LYS B HD3 28 ATOM 39244 H HE2 . LYS B 1 15 ? 9.921 -3.031 -11.733 1.00 0.00 ? 15 LYS B HE2 28 ATOM 39245 H HE3 . LYS B 1 15 ? 11.371 -3.861 -12.296 1.00 0.00 ? 15 LYS B HE3 28 ATOM 39246 H HZ1 . LYS B 1 15 ? 10.414 -5.096 -9.946 1.00 0.00 ? 15 LYS B HZ1 28 ATOM 39247 H HZ2 . LYS B 1 15 ? 9.152 -4.981 -11.068 1.00 0.00 ? 15 LYS B HZ2 28 ATOM 39248 H HZ3 . LYS B 1 15 ? 10.595 -5.757 -11.493 1.00 0.00 ? 15 LYS B HZ3 28 ATOM 39249 N N . GLU B 1 16 ? 9.666 -3.735 -5.068 1.00 0.00 ? 16 GLU B N 28 ATOM 39250 C CA . GLU B 1 16 ? 8.970 -4.697 -4.223 1.00 0.00 ? 16 GLU B CA 28 ATOM 39251 C C . GLU B 1 16 ? 7.773 -4.051 -3.531 1.00 0.00 ? 16 GLU B C 28 ATOM 39252 O O . GLU B 1 16 ? 6.657 -4.566 -3.595 1.00 0.00 ? 16 GLU B O 28 ATOM 39253 C CB . GLU B 1 16 ? 9.928 -5.278 -3.180 1.00 0.00 ? 16 GLU B CB 28 ATOM 39254 C CG . GLU B 1 16 ? 10.430 -6.670 -3.524 1.00 0.00 ? 16 GLU B CG 28 ATOM 39255 C CD . GLU B 1 16 ? 11.935 -6.795 -3.398 1.00 0.00 ? 16 GLU B CD 28 ATOM 39256 O OE1 . GLU B 1 16 ? 12.653 -6.006 -4.047 1.00 0.00 ? 16 GLU B OE1 28 ATOM 39257 O OE2 . GLU B 1 16 ? 12.396 -7.683 -2.649 1.00 0.00 ? 16 GLU B OE2 28 ATOM 39258 H H . GLU B 1 16 ? 10.586 -3.476 -4.841 1.00 0.00 ? 16 GLU B H 28 ATOM 39259 H HA . GLU B 1 16 ? 8.615 -5.496 -4.857 1.00 0.00 ? 16 GLU B HA 28 ATOM 39260 H HB2 . GLU B 1 16 ? 10.782 -4.622 -3.089 1.00 0.00 ? 16 GLU B HB2 28 ATOM 39261 H HB3 . GLU B 1 16 ? 9.418 -5.326 -2.230 1.00 0.00 ? 16 GLU B HB3 28 ATOM 39262 H HG2 . GLU B 1 16 ? 9.967 -7.381 -2.856 1.00 0.00 ? 16 GLU B HG2 28 ATOM 39263 H HG3 . GLU B 1 16 ? 10.148 -6.899 -4.542 1.00 0.00 ? 16 GLU B HG3 28 ATOM 39264 N N . ILE B 1 17 ? 8.009 -2.920 -2.870 1.00 0.00 ? 17 ILE B N 28 ATOM 39265 C CA . ILE B 1 17 ? 6.943 -2.211 -2.168 1.00 0.00 ? 17 ILE B CA 28 ATOM 39266 C C . ILE B 1 17 ? 5.856 -1.756 -3.143 1.00 0.00 ? 17 ILE B C 28 ATOM 39267 O O . ILE B 1 17 ? 4.716 -1.519 -2.747 1.00 0.00 ? 17 ILE B O 28 ATOM 39268 C CB . ILE B 1 17 ? 7.498 -0.999 -1.365 1.00 0.00 ? 17 ILE B CB 28 ATOM 39269 C CG1 . ILE B 1 17 ? 7.638 0.256 -2.241 1.00 0.00 ? 17 ILE B CG1 28 ATOM 39270 C CG2 . ILE B 1 17 ? 8.844 -1.345 -0.750 1.00 0.00 ? 17 ILE B CG2 28 ATOM 39271 C CD1 . ILE B 1 17 ? 6.515 1.251 -2.054 1.00 0.00 ? 17 ILE B CD1 28 ATOM 39272 H H . ILE B 1 17 ? 8.920 -2.554 -2.853 1.00 0.00 ? 17 ILE B H 28 ATOM 39273 H HA . ILE B 1 17 ? 6.497 -2.903 -1.464 1.00 0.00 ? 17 ILE B HA 28 ATOM 39274 H HB . ILE B 1 17 ? 6.810 -0.792 -0.557 1.00 0.00 ? 17 ILE B HB 28 ATOM 39275 H HG12 . ILE B 1 17 ? 8.565 0.754 -2.000 1.00 0.00 ? 17 ILE B HG12 28 ATOM 39276 H HG13 . ILE B 1 17 ? 7.653 -0.039 -3.280 1.00 0.00 ? 17 ILE B HG13 28 ATOM 39277 H HG21 . ILE B 1 17 ? 9.022 -2.406 -0.845 1.00 0.00 ? 17 ILE B HG21 28 ATOM 39278 H HG22 . ILE B 1 17 ? 9.623 -0.802 -1.261 1.00 0.00 ? 17 ILE B HG22 28 ATOM 39279 H HG23 . ILE B 1 17 ? 8.840 -1.073 0.291 1.00 0.00 ? 17 ILE B HG23 28 ATOM 39280 H HD11 . ILE B 1 17 ? 5.951 0.996 -1.170 1.00 0.00 ? 17 ILE B HD11 28 ATOM 39281 H HD12 . ILE B 1 17 ? 6.927 2.243 -1.944 1.00 0.00 ? 17 ILE B HD12 28 ATOM 39282 H HD13 . ILE B 1 17 ? 5.863 1.226 -2.916 1.00 0.00 ? 17 ILE B HD13 28 ATOM 39283 N N . GLU B 1 18 ? 6.220 -1.636 -4.417 1.00 0.00 ? 18 GLU B N 28 ATOM 39284 C CA . GLU B 1 18 ? 5.275 -1.214 -5.442 1.00 0.00 ? 18 GLU B CA 28 ATOM 39285 C C . GLU B 1 18 ? 4.335 -2.356 -5.802 1.00 0.00 ? 18 GLU B C 28 ATOM 39286 O O . GLU B 1 18 ? 3.146 -2.145 -6.043 1.00 0.00 ? 18 GLU B O 28 ATOM 39287 C CB . GLU B 1 18 ? 6.018 -0.732 -6.690 1.00 0.00 ? 18 GLU B CB 28 ATOM 39288 C CG . GLU B 1 18 ? 5.099 -0.359 -7.842 1.00 0.00 ? 18 GLU B CG 28 ATOM 39289 C CD . GLU B 1 18 ? 4.023 0.628 -7.434 1.00 0.00 ? 18 GLU B CD 28 ATOM 39290 O OE1 . GLU B 1 18 ? 3.239 0.307 -6.516 1.00 0.00 ? 18 GLU B OE1 28 ATOM 39291 O OE2 . GLU B 1 18 ? 3.963 1.722 -8.033 1.00 0.00 ? 18 GLU B OE2 28 ATOM 39292 H H . GLU B 1 18 ? 7.145 -1.836 -4.673 1.00 0.00 ? 18 GLU B H 28 ATOM 39293 H HA . GLU B 1 18 ? 4.693 -0.398 -5.040 1.00 0.00 ? 18 GLU B HA 28 ATOM 39294 H HB2 . GLU B 1 18 ? 6.606 0.137 -6.431 1.00 0.00 ? 18 GLU B HB2 28 ATOM 39295 H HB3 . GLU B 1 18 ? 6.680 -1.516 -7.025 1.00 0.00 ? 18 GLU B HB3 28 ATOM 39296 H HG2 . GLU B 1 18 ? 5.690 0.083 -8.629 1.00 0.00 ? 18 GLU B HG2 28 ATOM 39297 H HG3 . GLU B 1 18 ? 4.623 -1.256 -8.210 1.00 0.00 ? 18 GLU B HG3 28 ATOM 39298 N N . ARG B 1 19 ? 4.874 -3.571 -5.827 1.00 0.00 ? 19 ARG B N 28 ATOM 39299 C CA . ARG B 1 19 ? 4.080 -4.750 -6.145 1.00 0.00 ? 19 ARG B CA 28 ATOM 39300 C C . ARG B 1 19 ? 3.031 -4.983 -5.065 1.00 0.00 ? 19 ARG B C 28 ATOM 39301 O O . ARG B 1 19 ? 1.838 -5.122 -5.356 1.00 0.00 ? 19 ARG B O 28 ATOM 39302 C CB . ARG B 1 19 ? 4.980 -5.981 -6.278 1.00 0.00 ? 19 ARG B CB 28 ATOM 39303 C CG . ARG B 1 19 ? 4.220 -7.260 -6.591 1.00 0.00 ? 19 ARG B CG 28 ATOM 39304 C CD . ARG B 1 19 ? 5.024 -8.492 -6.211 1.00 0.00 ? 19 ARG B CD 28 ATOM 39305 N NE . ARG B 1 19 ? 4.381 -9.259 -5.148 1.00 0.00 ? 19 ARG B NE 28 ATOM 39306 C CZ . ARG B 1 19 ? 4.639 -10.540 -4.904 1.00 0.00 ? 19 ARG B CZ 28 ATOM 39307 N NH1 . ARG B 1 19 ? 5.525 -11.192 -5.645 1.00 0.00 ? 19 ARG B NH1 28 ATOM 39308 N NH2 . ARG B 1 19 ? 4.012 -11.169 -3.920 1.00 0.00 ? 19 ARG B NH2 28 ATOM 39309 H H . ARG B 1 19 ? 5.826 -3.677 -5.619 1.00 0.00 ? 19 ARG B H 28 ATOM 39310 H HA . ARG B 1 19 ? 3.581 -4.573 -7.087 1.00 0.00 ? 19 ARG B HA 28 ATOM 39311 H HB2 . ARG B 1 19 ? 5.692 -5.807 -7.072 1.00 0.00 ? 19 ARG B HB2 28 ATOM 39312 H HB3 . ARG B 1 19 ? 5.516 -6.122 -5.352 1.00 0.00 ? 19 ARG B HB3 28 ATOM 39313 H HG2 . ARG B 1 19 ? 3.294 -7.262 -6.036 1.00 0.00 ? 19 ARG B HG2 28 ATOM 39314 H HG3 . ARG B 1 19 ? 4.008 -7.290 -7.650 1.00 0.00 ? 19 ARG B HG3 28 ATOM 39315 H HD2 . ARG B 1 19 ? 5.128 -9.120 -7.083 1.00 0.00 ? 19 ARG B HD2 28 ATOM 39316 H HD3 . ARG B 1 19 ? 6.002 -8.178 -5.875 1.00 0.00 ? 19 ARG B HD3 28 ATOM 39317 H HE . ARG B 1 19 ? 3.724 -8.795 -4.588 1.00 0.00 ? 19 ARG B HE 28 ATOM 39318 H HH11 . ARG B 1 19 ? 6.000 -10.720 -6.388 1.00 0.00 ? 19 ARG B HH11 28 ATOM 39319 H HH12 . ARG B 1 19 ? 5.717 -12.156 -5.461 1.00 0.00 ? 19 ARG B HH12 28 ATOM 39320 H HH21 . ARG B 1 19 ? 3.345 -10.679 -3.359 1.00 0.00 ? 19 ARG B HH21 28 ATOM 39321 H HH22 . ARG B 1 19 ? 4.207 -12.133 -3.739 1.00 0.00 ? 19 ARG B HH22 28 ATOM 39322 N N . LEU B 1 20 ? 3.477 -5.008 -3.813 1.00 0.00 ? 20 LEU B N 28 ATOM 39323 C CA . LEU B 1 20 ? 2.567 -5.205 -2.699 1.00 0.00 ? 20 LEU B CA 28 ATOM 39324 C C . LEU B 1 20 ? 1.531 -4.092 -2.681 1.00 0.00 ? 20 LEU B C 28 ATOM 39325 O O . LEU B 1 20 ? 0.342 -4.338 -2.485 1.00 0.00 ? 20 LEU B O 28 ATOM 39326 C CB . LEU B 1 20 ? 3.334 -5.235 -1.375 1.00 0.00 ? 20 LEU B CB 28 ATOM 39327 C CG . LEU B 1 20 ? 4.697 -5.925 -1.432 1.00 0.00 ? 20 LEU B CG 28 ATOM 39328 C CD1 . LEU B 1 20 ? 5.246 -6.136 -0.029 1.00 0.00 ? 20 LEU B CD1 28 ATOM 39329 C CD2 . LEU B 1 20 ? 4.593 -7.250 -2.171 1.00 0.00 ? 20 LEU B CD2 28 ATOM 39330 H H . LEU B 1 20 ? 4.435 -4.876 -3.636 1.00 0.00 ? 20 LEU B H 28 ATOM 39331 H HA . LEU B 1 20 ? 2.065 -6.150 -2.840 1.00 0.00 ? 20 LEU B HA 28 ATOM 39332 H HB2 . LEU B 1 20 ? 3.482 -4.216 -1.046 1.00 0.00 ? 20 LEU B HB2 28 ATOM 39333 H HB3 . LEU B 1 20 ? 2.728 -5.747 -0.644 1.00 0.00 ? 20 LEU B HB3 28 ATOM 39334 H HG . LEU B 1 20 ? 5.390 -5.294 -1.969 1.00 0.00 ? 20 LEU B HG 28 ATOM 39335 H HD11 . LEU B 1 20 ? 4.463 -5.961 0.695 1.00 0.00 ? 20 LEU B HD11 28 ATOM 39336 H HD12 . LEU B 1 20 ? 5.606 -7.150 0.068 1.00 0.00 ? 20 LEU B HD12 28 ATOM 39337 H HD13 . LEU B 1 20 ? 6.059 -5.448 0.147 1.00 0.00 ? 20 LEU B HD13 28 ATOM 39338 H HD21 . LEU B 1 20 ? 4.059 -7.104 -3.098 1.00 0.00 ? 20 LEU B HD21 28 ATOM 39339 H HD22 . LEU B 1 20 ? 5.584 -7.624 -2.381 1.00 0.00 ? 20 LEU B HD22 28 ATOM 39340 H HD23 . LEU B 1 20 ? 4.061 -7.963 -1.558 1.00 0.00 ? 20 LEU B HD23 28 ATOM 39341 N N . GLN B 1 21 ? 1.996 -2.864 -2.904 1.00 0.00 ? 21 GLN B N 28 ATOM 39342 C CA . GLN B 1 21 ? 1.118 -1.701 -2.929 1.00 0.00 ? 21 GLN B CA 28 ATOM 39343 C C . GLN B 1 21 ? 0.081 -1.844 -4.034 1.00 0.00 ? 21 GLN B C 28 ATOM 39344 O O . GLN B 1 21 ? -1.030 -1.325 -3.928 1.00 0.00 ? 21 GLN B O 28 ATOM 39345 C CB . GLN B 1 21 ? 1.933 -0.424 -3.138 1.00 0.00 ? 21 GLN B CB 28 ATOM 39346 C CG . GLN B 1 21 ? 1.077 0.822 -3.305 1.00 0.00 ? 21 GLN B CG 28 ATOM 39347 C CD . GLN B 1 21 ? 1.305 1.838 -2.203 1.00 0.00 ? 21 GLN B CD 28 ATOM 39348 O OE1 . GLN B 1 21 ? 1.864 2.909 -2.437 1.00 0.00 ? 21 GLN B OE1 28 ATOM 39349 N NE2 . GLN B 1 21 ? 0.870 1.505 -0.993 1.00 0.00 ? 21 GLN B NE2 28 ATOM 39350 H H . GLN B 1 21 ? 2.953 -2.741 -3.065 1.00 0.00 ? 21 GLN B H 28 ATOM 39351 H HA . GLN B 1 21 ? 0.611 -1.646 -1.978 1.00 0.00 ? 21 GLN B HA 28 ATOM 39352 H HB2 . GLN B 1 21 ? 2.579 -0.278 -2.286 1.00 0.00 ? 21 GLN B HB2 28 ATOM 39353 H HB3 . GLN B 1 21 ? 2.540 -0.538 -4.024 1.00 0.00 ? 21 GLN B HB3 28 ATOM 39354 H HG2 . GLN B 1 21 ? 1.316 1.282 -4.253 1.00 0.00 ? 21 GLN B HG2 28 ATOM 39355 H HG3 . GLN B 1 21 ? 0.037 0.532 -3.299 1.00 0.00 ? 21 GLN B HG3 28 ATOM 39356 H HE21 . GLN B 1 21 ? 0.434 0.635 -0.881 1.00 0.00 ? 21 GLN B HE21 28 ATOM 39357 H HE22 . GLN B 1 21 ? 1.004 2.143 -0.261 1.00 0.00 ? 21 GLN B HE22 28 ATOM 39358 N N . LYS B 1 22 ? 0.450 -2.562 -5.090 1.00 0.00 ? 22 LYS B N 28 ATOM 39359 C CA . LYS B 1 22 ? -0.452 -2.786 -6.211 1.00 0.00 ? 22 LYS B CA 28 ATOM 39360 C C . LYS B 1 22 ? -1.670 -3.573 -5.749 1.00 0.00 ? 22 LYS B C 28 ATOM 39361 O O . LYS B 1 22 ? -2.809 -3.209 -6.042 1.00 0.00 ? 22 LYS B O 28 ATOM 39362 C CB . LYS B 1 22 ? 0.268 -3.539 -7.331 1.00 0.00 ? 22 LYS B CB 28 ATOM 39363 C CG . LYS B 1 22 ? -0.516 -3.590 -8.632 1.00 0.00 ? 22 LYS B CG 28 ATOM 39364 C CD . LYS B 1 22 ? -0.686 -5.018 -9.123 1.00 0.00 ? 22 LYS B CD 28 ATOM 39365 C CE . LYS B 1 22 ? -1.567 -5.829 -8.184 1.00 0.00 ? 22 LYS B CE 28 ATOM 39366 N NZ . LYS B 1 22 ? -1.753 -7.225 -8.664 1.00 0.00 ? 22 LYS B NZ 28 ATOM 39367 H H . LYS B 1 22 ? 1.347 -2.956 -5.111 1.00 0.00 ? 22 LYS B H 28 ATOM 39368 H HA . LYS B 1 22 ? -0.774 -1.824 -6.579 1.00 0.00 ? 22 LYS B HA 28 ATOM 39369 H HB2 . LYS B 1 22 ? 1.213 -3.055 -7.525 1.00 0.00 ? 22 LYS B HB2 28 ATOM 39370 H HB3 . LYS B 1 22 ? 0.452 -4.553 -7.007 1.00 0.00 ? 22 LYS B HB3 28 ATOM 39371 H HG2 . LYS B 1 22 ? -1.492 -3.157 -8.470 1.00 0.00 ? 22 LYS B HG2 28 ATOM 39372 H HG3 . LYS B 1 22 ? 0.013 -3.022 -9.382 1.00 0.00 ? 22 LYS B HG3 28 ATOM 39373 H HD2 . LYS B 1 22 ? -1.141 -5.001 -10.101 1.00 0.00 ? 22 LYS B HD2 28 ATOM 39374 H HD3 . LYS B 1 22 ? 0.286 -5.486 -9.183 1.00 0.00 ? 22 LYS B HD3 28 ATOM 39375 H HE2 . LYS B 1 22 ? -1.106 -5.851 -7.208 1.00 0.00 ? 22 LYS B HE2 28 ATOM 39376 H HE3 . LYS B 1 22 ? -2.532 -5.349 -8.114 1.00 0.00 ? 22 LYS B HE3 28 ATOM 39377 H HZ1 . LYS B 1 22 ? -1.504 -7.294 -9.671 1.00 0.00 ? 22 LYS B HZ1 28 ATOM 39378 H HZ2 . LYS B 1 22 ? -1.145 -7.873 -8.122 1.00 0.00 ? 22 LYS B HZ2 28 ATOM 39379 H HZ3 . LYS B 1 22 ? -2.744 -7.516 -8.542 1.00 0.00 ? 22 LYS B HZ3 28 ATOM 39380 N N . GLU B 1 23 ? -1.420 -4.653 -5.015 1.00 0.00 ? 23 GLU B N 28 ATOM 39381 C CA . GLU B 1 23 ? -2.498 -5.491 -4.500 1.00 0.00 ? 23 GLU B CA 28 ATOM 39382 C C . GLU B 1 23 ? -3.430 -4.681 -3.600 1.00 0.00 ? 23 GLU B C 28 ATOM 39383 O O . GLU B 1 23 ? -4.655 -4.713 -3.760 1.00 0.00 ? 23 GLU B O 28 ATOM 39384 C CB . GLU B 1 23 ? -1.924 -6.677 -3.721 1.00 0.00 ? 23 GLU B CB 28 ATOM 39385 C CG . GLU B 1 23 ? -2.470 -8.022 -4.171 1.00 0.00 ? 23 GLU B CG 28 ATOM 39386 C CD . GLU B 1 23 ? -1.792 -9.188 -3.480 1.00 0.00 ? 23 GLU B CD 28 ATOM 39387 O OE1 . GLU B 1 23 ? -0.594 -9.066 -3.148 1.00 0.00 ? 23 GLU B OE1 28 ATOM 39388 O OE2 . GLU B 1 23 ? -2.459 -10.222 -3.268 1.00 0.00 ? 23 GLU B OE2 28 ATOM 39389 H H . GLU B 1 23 ? -0.486 -4.889 -4.811 1.00 0.00 ? 23 GLU B H 28 ATOM 39390 H HA . GLU B 1 23 ? -3.061 -5.863 -5.342 1.00 0.00 ? 23 GLU B HA 28 ATOM 39391 H HB2 . GLU B 1 23 ? -0.851 -6.689 -3.846 1.00 0.00 ? 23 GLU B HB2 28 ATOM 39392 H HB3 . GLU B 1 23 ? -2.155 -6.550 -2.674 1.00 0.00 ? 23 GLU B HB3 28 ATOM 39393 H HG2 . GLU B 1 23 ? -3.527 -8.058 -3.951 1.00 0.00 ? 23 GLU B HG2 28 ATOM 39394 H HG3 . GLU B 1 23 ? -2.322 -8.118 -5.237 1.00 0.00 ? 23 GLU B HG3 28 ATOM 39395 N N . ILE B 1 24 ? -2.844 -3.944 -2.659 1.00 0.00 ? 24 ILE B N 28 ATOM 39396 C CA . ILE B 1 24 ? -3.635 -3.124 -1.748 1.00 0.00 ? 24 ILE B CA 28 ATOM 39397 C C . ILE B 1 24 ? -4.430 -2.086 -2.541 1.00 0.00 ? 24 ILE B C 28 ATOM 39398 O O . ILE B 1 24 ? -5.490 -1.636 -2.108 1.00 0.00 ? 24 ILE B O 28 ATOM 39399 C CB . ILE B 1 24 ? -2.768 -2.438 -0.637 1.00 0.00 ? 24 ILE B CB 28 ATOM 39400 C CG1 . ILE B 1 24 ? -2.367 -1.000 -1.003 1.00 0.00 ? 24 ILE B CG1 28 ATOM 39401 C CG2 . ILE B 1 24 ? -1.524 -3.256 -0.330 1.00 0.00 ? 24 ILE B CG2 28 ATOM 39402 C CD1 . ILE B 1 24 ? -3.360 0.033 -0.521 1.00 0.00 ? 24 ILE B CD1 28 ATOM 39403 H H . ILE B 1 24 ? -1.868 -3.950 -2.586 1.00 0.00 ? 24 ILE B H 28 ATOM 39404 H HA . ILE B 1 24 ? -4.340 -3.783 -1.258 1.00 0.00 ? 24 ILE B HA 28 ATOM 39405 H HB . ILE B 1 24 ? -3.363 -2.408 0.265 1.00 0.00 ? 24 ILE B HB 28 ATOM 39406 H HG12 . ILE B 1 24 ? -1.409 -0.774 -0.558 1.00 0.00 ? 24 ILE B HG12 28 ATOM 39407 H HG13 . ILE B 1 24 ? -2.291 -0.916 -2.078 1.00 0.00 ? 24 ILE B HG13 28 ATOM 39408 H HG21 . ILE B 1 24 ? -1.786 -4.301 -0.266 1.00 0.00 ? 24 ILE B HG21 28 ATOM 39409 H HG22 . ILE B 1 24 ? -0.801 -3.113 -1.117 1.00 0.00 ? 24 ILE B HG22 28 ATOM 39410 H HG23 . ILE B 1 24 ? -1.102 -2.930 0.607 1.00 0.00 ? 24 ILE B HG23 28 ATOM 39411 H HD11 . ILE B 1 24 ? -4.197 -0.465 -0.047 1.00 0.00 ? 24 ILE B HD11 28 ATOM 39412 H HD12 . ILE B 1 24 ? -2.882 0.689 0.191 1.00 0.00 ? 24 ILE B HD12 28 ATOM 39413 H HD13 . ILE B 1 24 ? -3.715 0.612 -1.361 1.00 0.00 ? 24 ILE B HD13 28 ATOM 39414 N N . GLU B 1 25 ? -3.905 -1.720 -3.709 1.00 0.00 ? 25 GLU B N 28 ATOM 39415 C CA . GLU B 1 25 ? -4.560 -0.749 -4.572 1.00 0.00 ? 25 GLU B CA 28 ATOM 39416 C C . GLU B 1 25 ? -5.839 -1.340 -5.144 1.00 0.00 ? 25 GLU B C 28 ATOM 39417 O O . GLU B 1 25 ? -6.839 -0.643 -5.309 1.00 0.00 ? 25 GLU B O 28 ATOM 39418 C CB . GLU B 1 25 ? -3.625 -0.322 -5.705 1.00 0.00 ? 25 GLU B CB 28 ATOM 39419 C CG . GLU B 1 25 ? -3.119 1.105 -5.573 1.00 0.00 ? 25 GLU B CG 28 ATOM 39420 C CD . GLU B 1 25 ? -1.931 1.387 -6.472 1.00 0.00 ? 25 GLU B CD 28 ATOM 39421 O OE1 . GLU B 1 25 ? -0.783 1.181 -6.022 1.00 0.00 ? 25 GLU B OE1 28 ATOM 39422 O OE2 . GLU B 1 25 ? -2.147 1.815 -7.624 1.00 0.00 ? 25 GLU B OE2 28 ATOM 39423 H H . GLU B 1 25 ? -3.060 -2.119 -3.999 1.00 0.00 ? 25 GLU B H 28 ATOM 39424 H HA . GLU B 1 25 ? -4.810 0.116 -3.974 1.00 0.00 ? 25 GLU B HA 28 ATOM 39425 H HB2 . GLU B 1 25 ? -2.772 -0.984 -5.721 1.00 0.00 ? 25 GLU B HB2 28 ATOM 39426 H HB3 . GLU B 1 25 ? -4.153 -0.408 -6.643 1.00 0.00 ? 25 GLU B HB3 28 ATOM 39427 H HG2 . GLU B 1 25 ? -3.917 1.782 -5.835 1.00 0.00 ? 25 GLU B HG2 28 ATOM 39428 H HG3 . GLU B 1 25 ? -2.825 1.275 -4.547 1.00 0.00 ? 25 GLU B HG3 28 ATOM 39429 N N . ARG B 1 26 ? -5.802 -2.638 -5.429 1.00 0.00 ? 26 ARG B N 28 ATOM 39430 C CA . ARG B 1 26 ? -6.964 -3.332 -5.963 1.00 0.00 ? 26 ARG B CA 28 ATOM 39431 C C . ARG B 1 26 ? -8.104 -3.273 -4.956 1.00 0.00 ? 26 ARG B C 28 ATOM 39432 O O . ARG B 1 26 ? -9.236 -2.917 -5.296 1.00 0.00 ? 26 ARG B O 28 ATOM 39433 C CB . ARG B 1 26 ? -6.621 -4.788 -6.285 1.00 0.00 ? 26 ARG B CB 28 ATOM 39434 C CG . ARG B 1 26 ? -7.772 -5.561 -6.906 1.00 0.00 ? 26 ARG B CG 28 ATOM 39435 C CD . ARG B 1 26 ? -7.704 -7.039 -6.557 1.00 0.00 ? 26 ARG B CD 28 ATOM 39436 N NE . ARG B 1 26 ? -8.317 -7.873 -7.587 1.00 0.00 ? 26 ARG B NE 28 ATOM 39437 C CZ . ARG B 1 26 ? -8.649 -9.147 -7.401 1.00 0.00 ? 26 ARG B CZ 28 ATOM 39438 N NH1 . ARG B 1 26 ? -8.428 -9.728 -6.231 1.00 0.00 ? 26 ARG B NH1 28 ATOM 39439 N NH2 . ARG B 1 26 ? -9.204 -9.839 -8.387 1.00 0.00 ? 26 ARG B NH2 28 ATOM 39440 H H . ARG B 1 26 ? -4.978 -3.143 -5.263 1.00 0.00 ? 26 ARG B H 28 ATOM 39441 H HA . ARG B 1 26 ? -7.269 -2.828 -6.869 1.00 0.00 ? 26 ARG B HA 28 ATOM 39442 H HB2 . ARG B 1 26 ? -5.790 -4.805 -6.975 1.00 0.00 ? 26 ARG B HB2 28 ATOM 39443 H HB3 . ARG B 1 26 ? -6.330 -5.287 -5.373 1.00 0.00 ? 26 ARG B HB3 28 ATOM 39444 H HG2 . ARG B 1 26 ? -8.704 -5.158 -6.539 1.00 0.00 ? 26 ARG B HG2 28 ATOM 39445 H HG3 . ARG B 1 26 ? -7.729 -5.451 -7.979 1.00 0.00 ? 26 ARG B HG3 28 ATOM 39446 H HD2 . ARG B 1 26 ? -6.667 -7.322 -6.447 1.00 0.00 ? 26 ARG B HD2 28 ATOM 39447 H HD3 . ARG B 1 26 ? -8.221 -7.199 -5.622 1.00 0.00 ? 26 ARG B HD3 28 ATOM 39448 H HE . ARG B 1 26 ? -8.489 -7.463 -8.461 1.00 0.00 ? 26 ARG B HE 28 ATOM 39449 H HH11 . ARG B 1 26 ? -8.010 -9.208 -5.486 1.00 0.00 ? 26 ARG B HH11 28 ATOM 39450 H HH12 . ARG B 1 26 ? -8.679 -10.685 -6.093 1.00 0.00 ? 26 ARG B HH12 28 ATOM 39451 H HH21 . ARG B 1 26 ? -9.372 -9.404 -9.272 1.00 0.00 ? 26 ARG B HH21 28 ATOM 39452 H HH22 . ARG B 1 26 ? -9.453 -10.797 -8.245 1.00 0.00 ? 26 ARG B HH22 28 ATOM 39453 N N . HIS B 1 27 ? -7.793 -3.600 -3.704 1.00 0.00 ? 27 HIS B N 28 ATOM 39454 C CA . HIS B 1 27 ? -8.788 -3.559 -2.647 1.00 0.00 ? 27 HIS B CA 28 ATOM 39455 C C . HIS B 1 27 ? -9.224 -2.120 -2.403 1.00 0.00 ? 27 HIS B C 28 ATOM 39456 O O . HIS B 1 27 ? -10.350 -1.858 -1.979 1.00 0.00 ? 27 HIS B O 28 ATOM 39457 C CB . HIS B 1 27 ? -8.224 -4.168 -1.363 1.00 0.00 ? 27 HIS B CB 28 ATOM 39458 C CG . HIS B 1 27 ? -9.056 -5.286 -0.816 1.00 0.00 ? 27 HIS B CG 28 ATOM 39459 N ND1 . HIS B 1 27 ? -10.128 -5.087 0.027 1.00 0.00 ? 27 HIS B ND1 28 ATOM 39460 C CD2 . HIS B 1 27 ? -8.969 -6.625 -1.002 1.00 0.00 ? 27 HIS B CD2 28 ATOM 39461 C CE1 . HIS B 1 27 ? -10.665 -6.253 0.338 1.00 0.00 ? 27 HIS B CE1 28 ATOM 39462 N NE2 . HIS B 1 27 ? -9.980 -7.201 -0.274 1.00 0.00 ? 27 HIS B NE2 28 ATOM 39463 H H . HIS B 1 27 ? -6.868 -3.858 -3.484 1.00 0.00 ? 27 HIS B H 28 ATOM 39464 H HA . HIS B 1 27 ? -9.644 -4.135 -2.969 1.00 0.00 ? 27 HIS B HA 28 ATOM 39465 H HB2 . HIS B 1 27 ? -7.237 -4.557 -1.563 1.00 0.00 ? 27 HIS B HB2 28 ATOM 39466 H HB3 . HIS B 1 27 ? -8.157 -3.402 -0.608 1.00 0.00 ? 27 HIS B HB3 28 ATOM 39467 H HD1 . HIS B 1 27 ? -10.449 -4.218 0.351 1.00 0.00 ? 27 HIS B HD1 28 ATOM 39468 H HD2 . HIS B 1 27 ? -8.239 -7.140 -1.611 1.00 0.00 ? 27 HIS B HD2 28 ATOM 39469 H HE1 . HIS B 1 27 ? -11.520 -6.405 0.981 1.00 0.00 ? 27 HIS B HE1 28 ATOM 39470 H HE2 . HIS B 1 27 ? -10.165 -8.162 -0.217 1.00 0.00 ? 27 HIS B HE2 28 ATOM 39471 N N . LYS B 1 28 ? -8.317 -1.187 -2.688 1.00 0.00 ? 28 LYS B N 28 ATOM 39472 C CA . LYS B 1 28 ? -8.591 0.232 -2.518 1.00 0.00 ? 28 LYS B CA 28 ATOM 39473 C C . LYS B 1 28 ? -9.451 0.758 -3.663 1.00 0.00 ? 28 LYS B C 28 ATOM 39474 O O . LYS B 1 28 ? -10.084 1.806 -3.543 1.00 0.00 ? 28 LYS B O 28 ATOM 39475 C CB . LYS B 1 28 ? -7.281 1.019 -2.445 1.00 0.00 ? 28 LYS B CB 28 ATOM 39476 C CG . LYS B 1 28 ? -7.479 2.520 -2.308 1.00 0.00 ? 28 LYS B CG 28 ATOM 39477 C CD . LYS B 1 28 ? -6.827 3.274 -3.455 1.00 0.00 ? 28 LYS B CD 28 ATOM 39478 C CE . LYS B 1 28 ? -5.360 2.905 -3.600 1.00 0.00 ? 28 LYS B CE 28 ATOM 39479 N NZ . LYS B 1 28 ? -4.545 4.049 -4.093 1.00 0.00 ? 28 LYS B NZ 28 ATOM 39480 H H . LYS B 1 28 ? -7.444 -1.462 -3.030 1.00 0.00 ? 28 LYS B H 28 ATOM 39481 H HA . LYS B 1 28 ? -9.128 0.358 -1.593 1.00 0.00 ? 28 LYS B HA 28 ATOM 39482 H HB2 . LYS B 1 28 ? -6.715 0.674 -1.593 1.00 0.00 ? 28 LYS B HB2 28 ATOM 39483 H HB3 . LYS B 1 28 ? -6.712 0.834 -3.344 1.00 0.00 ? 28 LYS B HB3 28 ATOM 39484 H HG2 . LYS B 1 28 ? -8.537 2.735 -2.304 1.00 0.00 ? 28 LYS B HG2 28 ATOM 39485 H HG3 . LYS B 1 28 ? -7.040 2.848 -1.377 1.00 0.00 ? 28 LYS B HG3 28 ATOM 39486 H HD2 . LYS B 1 28 ? -7.341 3.031 -4.372 1.00 0.00 ? 28 LYS B HD2 28 ATOM 39487 H HD3 . LYS B 1 28 ? -6.906 4.335 -3.266 1.00 0.00 ? 28 LYS B HD3 28 ATOM 39488 H HE2 . LYS B 1 28 ? -4.983 2.595 -2.637 1.00 0.00 ? 28 LYS B HE2 28 ATOM 39489 H HE3 . LYS B 1 28 ? -5.275 2.086 -4.299 1.00 0.00 ? 28 LYS B HE3 28 ATOM 39490 H HZ1 . LYS B 1 28 ? -4.751 4.901 -3.534 1.00 0.00 ? 28 LYS B HZ1 28 ATOM 39491 H HZ2 . LYS B 1 28 ? -3.532 3.830 -4.008 1.00 0.00 ? 28 LYS B HZ2 28 ATOM 39492 H HZ3 . LYS B 1 28 ? -4.765 4.242 -5.091 1.00 0.00 ? 28 LYS B HZ3 28 ATOM 39493 N N . GLN B 1 29 ? -9.474 0.024 -4.773 1.00 0.00 ? 29 GLN B N 28 ATOM 39494 C CA . GLN B 1 29 ? -10.262 0.420 -5.932 1.00 0.00 ? 29 GLN B CA 28 ATOM 39495 C C . GLN B 1 29 ? -11.731 0.082 -5.720 1.00 0.00 ? 29 GLN B C 28 ATOM 39496 O O . GLN B 1 29 ? -12.614 0.873 -6.052 1.00 0.00 ? 29 GLN B O 28 ATOM 39497 C CB . GLN B 1 29 ? -9.740 -0.273 -7.192 1.00 0.00 ? 29 GLN B CB 28 ATOM 39498 C CG . GLN B 1 29 ? -10.531 0.067 -8.445 1.00 0.00 ? 29 GLN B CG 28 ATOM 39499 C CD . GLN B 1 29 ? -9.717 -0.111 -9.713 1.00 0.00 ? 29 GLN B CD 28 ATOM 39500 O OE1 . GLN B 1 29 ? -9.640 0.792 -10.546 1.00 0.00 ? 29 GLN B OE1 28 ATOM 39501 N NE2 . GLN B 1 29 ? -9.106 -1.280 -9.865 1.00 0.00 ? 29 GLN B NE2 28 ATOM 39502 H H . GLN B 1 29 ? -8.954 -0.803 -4.814 1.00 0.00 ? 29 GLN B H 28 ATOM 39503 H HA . GLN B 1 29 ? -10.163 1.488 -6.050 1.00 0.00 ? 29 GLN B HA 28 ATOM 39504 H HB2 . GLN B 1 29 ? -8.712 0.019 -7.351 1.00 0.00 ? 29 GLN B HB2 28 ATOM 39505 H HB3 . GLN B 1 29 ? -9.782 -1.342 -7.045 1.00 0.00 ? 29 GLN B HB3 28 ATOM 39506 H HG2 . GLN B 1 29 ? -11.394 -0.580 -8.496 1.00 0.00 ? 29 GLN B HG2 28 ATOM 39507 H HG3 . GLN B 1 29 ? -10.854 1.096 -8.383 1.00 0.00 ? 29 GLN B HG3 28 ATOM 39508 H HE21 . GLN B 1 29 ? -9.212 -1.953 -9.161 1.00 0.00 ? 29 GLN B HE21 28 ATOM 39509 H HE22 . GLN B 1 29 ? -8.574 -1.421 -10.676 1.00 0.00 ? 29 GLN B HE22 28 ATOM 39510 N N . SER B 1 30 ? -11.985 -1.096 -5.161 1.00 0.00 ? 30 SER B N 28 ATOM 39511 C CA . SER B 1 30 ? -13.352 -1.531 -4.901 1.00 0.00 ? 30 SER B CA 28 ATOM 39512 C C . SER B 1 30 ? -13.974 -0.721 -3.767 1.00 0.00 ? 30 SER B C 28 ATOM 39513 O O . SER B 1 30 ? -15.147 -0.349 -3.826 1.00 0.00 ? 30 SER B O 28 ATOM 39514 C CB . SER B 1 30 ? -13.382 -3.023 -4.555 1.00 0.00 ? 30 SER B CB 28 ATOM 39515 O OG . SER B 1 30 ? -12.151 -3.442 -3.992 1.00 0.00 ? 30 SER B OG 28 ATOM 39516 H H . SER B 1 30 ? -11.236 -1.684 -4.916 1.00 0.00 ? 30 SER B H 28 ATOM 39517 H HA . SER B 1 30 ? -13.929 -1.368 -5.800 1.00 0.00 ? 30 SER B HA 28 ATOM 39518 H HB2 . SER B 1 30 ? -14.170 -3.209 -3.841 1.00 0.00 ? 30 SER B HB2 28 ATOM 39519 H HB3 . SER B 1 30 ? -13.567 -3.594 -5.452 1.00 0.00 ? 30 SER B HB3 28 ATOM 39520 H HG . SER B 1 30 ? -12.189 -4.381 -3.803 1.00 0.00 ? 30 SER B HG 28 ATOM 39521 N N . ILE B 1 31 ? -13.181 -0.456 -2.733 1.00 0.00 ? 31 ILE B N 28 ATOM 39522 C CA . ILE B 1 31 ? -13.653 0.306 -1.583 1.00 0.00 ? 31 ILE B CA 28 ATOM 39523 C C . ILE B 1 31 ? -13.792 1.788 -1.916 1.00 0.00 ? 31 ILE B C 28 ATOM 39524 O O . ILE B 1 31 ? -14.684 2.466 -1.406 1.00 0.00 ? 31 ILE B O 28 ATOM 39525 C CB . ILE B 1 31 ? -12.705 0.137 -0.382 1.00 0.00 ? 31 ILE B CB 28 ATOM 39526 C CG1 . ILE B 1 31 ? -13.345 0.721 0.900 1.00 0.00 ? 31 ILE B CG1 28 ATOM 39527 C CG2 . ILE B 1 31 ? -11.345 0.754 -0.698 1.00 0.00 ? 31 ILE B CG2 28 ATOM 39528 C CD1 . ILE B 1 31 ? -12.749 2.027 1.399 1.00 0.00 ? 31 ILE B CD1 28 ATOM 39529 H H . ILE B 1 31 ? -12.255 -0.781 -2.743 1.00 0.00 ? 31 ILE B H 28 ATOM 39530 H HA . ILE B 1 31 ? -14.623 -0.078 -1.306 1.00 0.00 ? 31 ILE B HA 28 ATOM 39531 H HB . ILE B 1 31 ? -12.552 -0.921 -0.239 1.00 0.00 ? 31 ILE B HB 28 ATOM 39532 H HG12 . ILE B 1 31 ? -14.393 0.895 0.715 1.00 0.00 ? 31 ILE B HG12 28 ATOM 39533 H HG13 . ILE B 1 31 ? -13.249 -0.006 1.694 1.00 0.00 ? 31 ILE B HG13 28 ATOM 39534 H HG21 . ILE B 1 31 ? -11.056 0.485 -1.703 1.00 0.00 ? 31 ILE B HG21 28 ATOM 39535 H HG22 . ILE B 1 31 ? -11.409 1.828 -0.618 1.00 0.00 ? 31 ILE B HG22 28 ATOM 39536 H HG23 . ILE B 1 31 ? -10.610 0.382 0.001 1.00 0.00 ? 31 ILE B HG23 28 ATOM 39537 H HD11 . ILE B 1 31 ? -11.671 1.962 1.380 1.00 0.00 ? 31 ILE B HD11 28 ATOM 39538 H HD12 . ILE B 1 31 ? -13.073 2.837 0.763 1.00 0.00 ? 31 ILE B HD12 28 ATOM 39539 H HD13 . ILE B 1 31 ? -13.080 2.209 2.410 1.00 0.00 ? 31 ILE B HD13 28 ATOM 39540 N N . LYS B 1 32 ? -12.915 2.287 -2.783 1.00 0.00 ? 32 LYS B N 28 ATOM 39541 C CA . LYS B 1 32 ? -12.963 3.689 -3.182 1.00 0.00 ? 32 LYS B CA 28 ATOM 39542 C C . LYS B 1 32 ? -14.071 3.912 -4.206 1.00 0.00 ? 32 LYS B C 28 ATOM 39543 O O . LYS B 1 32 ? -14.592 5.019 -4.340 1.00 0.00 ? 32 LYS B O 28 ATOM 39544 C CB . LYS B 1 32 ? -11.617 4.139 -3.754 1.00 0.00 ? 32 LYS B CB 28 ATOM 39545 C CG . LYS B 1 32 ? -11.331 3.596 -5.145 1.00 0.00 ? 32 LYS B CG 28 ATOM 39546 C CD . LYS B 1 32 ? -9.891 3.856 -5.559 1.00 0.00 ? 32 LYS B CD 28 ATOM 39547 C CE . LYS B 1 32 ? -9.708 3.710 -7.062 1.00 0.00 ? 32 LYS B CE 28 ATOM 39548 N NZ . LYS B 1 32 ? -8.435 3.016 -7.403 1.00 0.00 ? 32 LYS B NZ 28 ATOM 39549 H H . LYS B 1 32 ? -12.229 1.702 -3.169 1.00 0.00 ? 32 LYS B H 28 ATOM 39550 H HA . LYS B 1 32 ? -13.183 4.274 -2.301 1.00 0.00 ? 32 LYS B HA 28 ATOM 39551 H HB2 . LYS B 1 32 ? -11.603 5.217 -3.803 1.00 0.00 ? 32 LYS B HB2 28 ATOM 39552 H HB3 . LYS B 1 32 ? -10.829 3.808 -3.093 1.00 0.00 ? 32 LYS B HB3 28 ATOM 39553 H HG2 . LYS B 1 32 ? -11.511 2.532 -5.149 1.00 0.00 ? 32 LYS B HG2 28 ATOM 39554 H HG3 . LYS B 1 32 ? -11.991 4.078 -5.851 1.00 0.00 ? 32 LYS B HG3 28 ATOM 39555 H HD2 . LYS B 1 32 ? -9.618 4.859 -5.270 1.00 0.00 ? 32 LYS B HD2 28 ATOM 39556 H HD3 . LYS B 1 32 ? -9.249 3.146 -5.058 1.00 0.00 ? 32 LYS B HD3 28 ATOM 39557 H HE2 . LYS B 1 32 ? -10.536 3.140 -7.458 1.00 0.00 ? 32 LYS B HE2 28 ATOM 39558 H HE3 . LYS B 1 32 ? -9.702 4.694 -7.508 1.00 0.00 ? 32 LYS B HE3 28 ATOM 39559 H HZ1 . LYS B 1 32 ? -8.053 2.538 -6.561 1.00 0.00 ? 32 LYS B HZ1 28 ATOM 39560 H HZ2 . LYS B 1 32 ? -8.602 2.308 -8.146 1.00 0.00 ? 32 LYS B HZ2 28 ATOM 39561 H HZ3 . LYS B 1 32 ? -7.734 3.704 -7.745 1.00 0.00 ? 32 LYS B HZ3 28 ATOM 39562 N N . LYS B 1 33 ? -14.433 2.849 -4.920 1.00 0.00 ? 33 LYS B N 28 ATOM 39563 C CA . LYS B 1 33 ? -15.484 2.926 -5.924 1.00 0.00 ? 33 LYS B CA 28 ATOM 39564 C C . LYS B 1 33 ? -16.850 3.022 -5.253 1.00 0.00 ? 33 LYS B C 28 ATOM 39565 O O . LYS B 1 33 ? -17.716 3.779 -5.693 1.00 0.00 ? 33 LYS B O 28 ATOM 39566 C CB . LYS B 1 33 ? -15.437 1.702 -6.841 1.00 0.00 ? 33 LYS B CB 28 ATOM 39567 C CG . LYS B 1 33 ? -14.759 1.968 -8.174 1.00 0.00 ? 33 LYS B CG 28 ATOM 39568 C CD . LYS B 1 33 ? -14.947 0.805 -9.136 1.00 0.00 ? 33 LYS B CD 28 ATOM 39569 C CE . LYS B 1 33 ? -16.416 0.462 -9.315 1.00 0.00 ? 33 LYS B CE 28 ATOM 39570 N NZ . LYS B 1 33 ? -16.706 -0.043 -10.686 1.00 0.00 ? 33 LYS B NZ 28 ATOM 39571 H H . LYS B 1 33 ? -13.985 1.991 -4.764 1.00 0.00 ? 33 LYS B H 28 ATOM 39572 H HA . LYS B 1 33 ? -15.319 3.816 -6.512 1.00 0.00 ? 33 LYS B HA 28 ATOM 39573 H HB2 . LYS B 1 33 ? -14.899 0.911 -6.339 1.00 0.00 ? 33 LYS B HB2 28 ATOM 39574 H HB3 . LYS B 1 33 ? -16.447 1.372 -7.034 1.00 0.00 ? 33 LYS B HB3 28 ATOM 39575 H HG2 . LYS B 1 33 ? -15.186 2.857 -8.614 1.00 0.00 ? 33 LYS B HG2 28 ATOM 39576 H HG3 . LYS B 1 33 ? -13.702 2.118 -8.007 1.00 0.00 ? 33 LYS B HG3 28 ATOM 39577 H HD2 . LYS B 1 33 ? -14.531 1.074 -10.096 1.00 0.00 ? 33 LYS B HD2 28 ATOM 39578 H HD3 . LYS B 1 33 ? -14.429 -0.059 -8.747 1.00 0.00 ? 33 LYS B HD3 28 ATOM 39579 H HE2 . LYS B 1 33 ? -16.685 -0.299 -8.597 1.00 0.00 ? 33 LYS B HE2 28 ATOM 39580 H HE3 . LYS B 1 33 ? -17.004 1.349 -9.136 1.00 0.00 ? 33 LYS B HE3 28 ATOM 39581 H HZ1 . LYS B 1 33 ? -16.124 -0.882 -10.888 1.00 0.00 ? 33 LYS B HZ1 28 ATOM 39582 H HZ2 . LYS B 1 33 ? -17.710 -0.304 -10.765 1.00 0.00 ? 33 LYS B HZ2 28 ATOM 39583 H HZ3 . LYS B 1 33 ? -16.493 0.691 -11.390 1.00 0.00 ? 33 LYS B HZ3 28 ATOM 39584 N N . LEU B 1 34 ? -17.033 2.255 -4.183 1.00 0.00 ? 34 LEU B N 28 ATOM 39585 C CA . LEU B 1 34 ? -18.293 2.260 -3.449 1.00 0.00 ? 34 LEU B CA 28 ATOM 39586 C C . LEU B 1 34 ? -18.493 3.591 -2.733 1.00 0.00 ? 34 LEU B C 28 ATOM 39587 O O . LEU B 1 34 ? -19.575 4.178 -2.784 1.00 0.00 ? 34 LEU B O 28 ATOM 39588 C CB . LEU B 1 34 ? -18.326 1.112 -2.440 1.00 0.00 ? 34 LEU B CB 28 ATOM 39589 C CG . LEU B 1 34 ? -19.710 0.507 -2.193 1.00 0.00 ? 34 LEU B CG 28 ATOM 39590 C CD1 . LEU B 1 34 ? -19.590 -0.957 -1.801 1.00 0.00 ? 34 LEU B CD1 28 ATOM 39591 C CD2 . LEU B 1 34 ? -20.448 1.290 -1.118 1.00 0.00 ? 34 LEU B CD2 28 ATOM 39592 H H . LEU B 1 34 ? -16.302 1.673 -3.877 1.00 0.00 ? 34 LEU B H 28 ATOM 39593 H HA . LEU B 1 34 ? -19.091 2.127 -4.163 1.00 0.00 ? 34 LEU B HA 28 ATOM 39594 H HB2 . LEU B 1 34 ? -17.672 0.329 -2.795 1.00 0.00 ? 34 LEU B HB2 28 ATOM 39595 H HB3 . LEU B 1 34 ? -17.945 1.476 -1.498 1.00 0.00 ? 34 LEU B HB3 28 ATOM 39596 H HG . LEU B 1 34 ? -20.287 0.562 -3.105 1.00 0.00 ? 34 LEU B HG 28 ATOM 39597 H HD11 . LEU B 1 34 ? -18.577 -1.164 -1.488 1.00 0.00 ? 34 LEU B HD11 28 ATOM 39598 H HD12 . LEU B 1 34 ? -20.269 -1.169 -0.989 1.00 0.00 ? 34 LEU B HD12 28 ATOM 39599 H HD13 . LEU B 1 34 ? -19.838 -1.579 -2.649 1.00 0.00 ? 34 LEU B HD13 28 ATOM 39600 H HD21 . LEU B 1 34 ? -20.311 2.349 -1.286 1.00 0.00 ? 34 LEU B HD21 28 ATOM 39601 H HD22 . LEU B 1 34 ? -21.501 1.053 -1.159 1.00 0.00 ? 34 LEU B HD22 28 ATOM 39602 H HD23 . LEU B 1 34 ? -20.056 1.025 -0.147 1.00 0.00 ? 34 LEU B HD23 28 ATOM 39603 N N . LYS B 1 35 ? -17.443 4.066 -2.072 1.00 0.00 ? 35 LYS B N 28 ATOM 39604 C CA . LYS B 1 35 ? -17.506 5.333 -1.353 1.00 0.00 ? 35 LYS B CA 28 ATOM 39605 C C . LYS B 1 35 ? -17.575 6.502 -2.328 1.00 0.00 ? 35 LYS B C 28 ATOM 39606 O O . LYS B 1 35 ? -18.096 7.567 -2.000 1.00 0.00 ? 35 LYS B O 28 ATOM 39607 C CB . LYS B 1 35 ? -16.290 5.486 -0.437 1.00 0.00 ? 35 LYS B CB 28 ATOM 39608 C CG . LYS B 1 35 ? -16.402 6.652 0.533 1.00 0.00 ? 35 LYS B CG 28 ATOM 39609 C CD . LYS B 1 35 ? -15.141 7.502 0.531 1.00 0.00 ? 35 LYS B CD 28 ATOM 39610 C CE . LYS B 1 35 ? -13.927 6.699 0.968 1.00 0.00 ? 35 LYS B CE 28 ATOM 39611 N NZ . LYS B 1 35 ? -12.681 7.512 0.933 1.00 0.00 ? 35 LYS B NZ 28 ATOM 39612 H H . LYS B 1 35 ? -16.605 3.556 -2.071 1.00 0.00 ? 35 LYS B H 28 ATOM 39613 H HA . LYS B 1 35 ? -18.402 5.330 -0.752 1.00 0.00 ? 35 LYS B HA 28 ATOM 39614 H HB2 . LYS B 1 35 ? -16.169 4.579 0.138 1.00 0.00 ? 35 LYS B HB2 28 ATOM 39615 H HB3 . LYS B 1 35 ? -15.410 5.636 -1.045 1.00 0.00 ? 35 LYS B HB3 28 ATOM 39616 H HG2 . LYS B 1 35 ? -17.240 7.269 0.244 1.00 0.00 ? 35 LYS B HG2 28 ATOM 39617 H HG3 . LYS B 1 35 ? -16.563 6.266 1.528 1.00 0.00 ? 35 LYS B HG3 28 ATOM 39618 H HD2 . LYS B 1 35 ? -14.973 7.876 -0.468 1.00 0.00 ? 35 LYS B HD2 28 ATOM 39619 H HD3 . LYS B 1 35 ? -15.278 8.331 1.210 1.00 0.00 ? 35 LYS B HD3 28 ATOM 39620 H HE2 . LYS B 1 35 ? -14.088 6.346 1.977 1.00 0.00 ? 35 LYS B HE2 28 ATOM 39621 H HE3 . LYS B 1 35 ? -13.814 5.853 0.305 1.00 0.00 ? 35 LYS B HE3 28 ATOM 39622 H HZ1 . LYS B 1 35 ? -12.839 8.387 0.393 1.00 0.00 ? 35 LYS B HZ1 28 ATOM 39623 H HZ2 . LYS B 1 35 ? -12.390 7.762 1.900 1.00 0.00 ? 35 LYS B HZ2 28 ATOM 39624 H HZ3 . LYS B 1 35 ? -11.915 6.973 0.481 1.00 0.00 ? 35 LYS B HZ3 28 ATOM 39625 N N . GLN B 1 36 ? -17.049 6.292 -3.530 1.00 0.00 ? 36 GLN B N 28 ATOM 39626 C CA . GLN B 1 36 ? -17.057 7.326 -4.556 1.00 0.00 ? 36 GLN B CA 28 ATOM 39627 C C . GLN B 1 36 ? -18.463 7.519 -5.112 1.00 0.00 ? 36 GLN B C 28 ATOM 39628 O O . GLN B 1 36 ? -18.844 8.626 -5.492 1.00 0.00 ? 36 GLN B O 28 ATOM 39629 C CB . GLN B 1 36 ? -16.093 6.963 -5.687 1.00 0.00 ? 36 GLN B CB 28 ATOM 39630 C CG . GLN B 1 36 ? -16.128 7.938 -6.853 1.00 0.00 ? 36 GLN B CG 28 ATOM 39631 C CD . GLN B 1 36 ? -14.824 7.975 -7.623 1.00 0.00 ? 36 GLN B CD 28 ATOM 39632 O OE1 . GLN B 1 36 ? -13.858 7.300 -7.265 1.00 0.00 ? 36 GLN B OE1 28 ATOM 39633 N NE2 . GLN B 1 36 ? -14.788 8.766 -8.690 1.00 0.00 ? 36 GLN B NE2 28 ATOM 39634 H H . GLN B 1 36 ? -16.652 5.420 -3.734 1.00 0.00 ? 36 GLN B H 28 ATOM 39635 H HA . GLN B 1 36 ? -16.732 8.250 -4.099 1.00 0.00 ? 36 GLN B HA 28 ATOM 39636 H HB2 . GLN B 1 36 ? -15.087 6.942 -5.295 1.00 0.00 ? 36 GLN B HB2 28 ATOM 39637 H HB3 . GLN B 1 36 ? -16.345 5.981 -6.060 1.00 0.00 ? 36 GLN B HB3 28 ATOM 39638 H HG2 . GLN B 1 36 ? -16.918 7.644 -7.527 1.00 0.00 ? 36 GLN B HG2 28 ATOM 39639 H HG3 . GLN B 1 36 ? -16.332 8.928 -6.471 1.00 0.00 ? 36 GLN B HG3 28 ATOM 39640 H HE21 . GLN B 1 36 ? -15.594 9.275 -8.916 1.00 0.00 ? 36 GLN B HE21 28 ATOM 39641 H HE22 . GLN B 1 36 ? -13.957 8.808 -9.207 1.00 0.00 ? 36 GLN B HE22 28 ATOM 39642 N N . SER B 1 37 ? -19.231 6.435 -5.152 1.00 0.00 ? 37 SER B N 28 ATOM 39643 C CA . SER B 1 37 ? -20.597 6.486 -5.656 1.00 0.00 ? 37 SER B CA 28 ATOM 39644 C C . SER B 1 37 ? -21.464 7.377 -4.773 1.00 0.00 ? 37 SER B C 28 ATOM 39645 O O . SER B 1 37 ? -22.455 7.947 -5.231 1.00 0.00 ? 37 SER B O 28 ATOM 39646 C CB . SER B 1 37 ? -21.193 5.079 -5.725 1.00 0.00 ? 37 SER B CB 28 ATOM 39647 O OG . SER B 1 37 ? -20.706 4.374 -6.853 1.00 0.00 ? 37 SER B OG 28 ATOM 39648 H H . SER B 1 37 ? -18.871 5.579 -4.831 1.00 0.00 ? 37 SER B H 28 ATOM 39649 H HA . SER B 1 37 ? -20.567 6.905 -6.651 1.00 0.00 ? 37 SER B HA 28 ATOM 39650 H HB2 . SER B 1 37 ? -20.925 4.533 -4.832 1.00 0.00 ? 37 SER B HB2 28 ATOM 39651 H HB3 . SER B 1 37 ? -22.268 5.150 -5.795 1.00 0.00 ? 37 SER B HB3 28 ATOM 39652 H HG . SER B 1 37 ? -19.792 4.617 -7.013 1.00 0.00 ? 37 SER B HG 28 ATOM 39653 N N . GLU B 1 38 ? -21.083 7.494 -3.504 1.00 0.00 ? 38 GLU B N 28 ATOM 39654 C CA . GLU B 1 38 ? -21.824 8.317 -2.557 1.00 0.00 ? 38 GLU B CA 28 ATOM 39655 C C . GLU B 1 38 ? -21.404 9.780 -2.663 1.00 0.00 ? 38 GLU B C 28 ATOM 39656 O O . GLU B 1 38 ? -22.172 10.683 -2.330 1.00 0.00 ? 38 GLU B O 28 ATOM 39657 C CB . GLU B 1 38 ? -21.602 7.814 -1.129 1.00 0.00 ? 38 GLU B CB 28 ATOM 39658 C CG . GLU B 1 38 ? -22.219 8.708 -0.066 1.00 0.00 ? 38 GLU B CG 28 ATOM 39659 C CD . GLU B 1 38 ? -21.202 9.625 0.586 1.00 0.00 ? 38 GLU B CD 28 ATOM 39660 O OE1 . GLU B 1 38 ? -20.218 9.994 -0.089 1.00 0.00 ? 38 GLU B OE1 28 ATOM 39661 O OE2 . GLU B 1 38 ? -21.391 9.975 1.770 1.00 0.00 ? 38 GLU B OE2 28 ATOM 39662 H H . GLU B 1 38 ? -20.283 7.015 -3.199 1.00 0.00 ? 38 GLU B H 28 ATOM 39663 H HA . GLU B 1 38 ? -22.874 8.238 -2.798 1.00 0.00 ? 38 GLU B HA 28 ATOM 39664 H HB2 . GLU B 1 38 ? -22.036 6.829 -1.036 1.00 0.00 ? 38 GLU B HB2 28 ATOM 39665 H HB3 . GLU B 1 38 ? -20.540 7.749 -0.943 1.00 0.00 ? 38 GLU B HB3 28 ATOM 39666 H HG2 . GLU B 1 38 ? -22.986 9.314 -0.523 1.00 0.00 ? 38 GLU B HG2 28 ATOM 39667 H HG3 . GLU B 1 38 ? -22.661 8.085 0.699 1.00 0.00 ? 38 GLU B HG3 28 ATOM 39668 N N . ASP B 1 39 ? -20.180 10.006 -3.127 1.00 0.00 ? 39 ASP B N 28 ATOM 39669 C CA . ASP B 1 39 ? -19.656 11.359 -3.277 1.00 0.00 ? 39 ASP B CA 28 ATOM 39670 C C . ASP B 1 39 ? -20.115 11.982 -4.592 1.00 0.00 ? 39 ASP B C 28 ATOM 39671 O O . ASP B 1 39 ? -20.163 13.205 -4.727 1.00 0.00 ? 39 ASP B O 28 ATOM 39672 C CB . ASP B 1 39 ? -18.128 11.346 -3.213 1.00 0.00 ? 39 ASP B CB 28 ATOM 39673 C CG . ASP B 1 39 ? -17.539 12.743 -3.198 1.00 0.00 ? 39 ASP B CG 28 ATOM 39674 O OD1 . ASP B 1 39 ? -17.640 13.420 -2.153 1.00 0.00 ? 39 ASP B OD1 28 ATOM 39675 O OD2 . ASP B 1 39 ? -16.974 13.161 -4.232 1.00 0.00 ? 39 ASP B OD2 28 ATOM 39676 H H . ASP B 1 39 ? -19.615 9.245 -3.375 1.00 0.00 ? 39 ASP B H 28 ATOM 39677 H HA . ASP B 1 39 ? -20.036 11.954 -2.459 1.00 0.00 ? 39 ASP B HA 28 ATOM 39678 H HB2 . ASP B 1 39 ? -17.816 10.835 -2.314 1.00 0.00 ? 39 ASP B HB2 28 ATOM 39679 H HB3 . ASP B 1 39 ? -17.742 10.821 -4.074 1.00 0.00 ? 39 ASP B HB3 28 ATOM 39680 N N . ASP B 1 40 ? -20.454 11.134 -5.560 1.00 0.00 ? 40 ASP B N 28 ATOM 39681 C CA . ASP B 1 40 ? -20.910 11.603 -6.865 1.00 0.00 ? 40 ASP B CA 28 ATOM 39682 C C . ASP B 1 40 ? -21.997 12.662 -6.715 1.00 0.00 ? 40 ASP B C 28 ATOM 39683 O O . ASP B 1 40 ? -23.182 12.341 -6.622 1.00 0.00 ? 40 ASP B O 28 ATOM 39684 C CB . ASP B 1 40 ? -21.435 10.431 -7.695 1.00 0.00 ? 40 ASP B CB 28 ATOM 39685 C CG . ASP B 1 40 ? -20.343 9.763 -8.508 1.00 0.00 ? 40 ASP B CG 28 ATOM 39686 O OD1 . ASP B 1 40 ? -19.505 10.487 -9.085 1.00 0.00 ? 40 ASP B OD1 28 ATOM 39687 O OD2 . ASP B 1 40 ? -20.327 8.515 -8.569 1.00 0.00 ? 40 ASP B OD2 28 ATOM 39688 H H . ASP B 1 40 ? -20.395 10.169 -5.393 1.00 0.00 ? 40 ASP B H 28 ATOM 39689 H HA . ASP B 1 40 ? -20.064 12.042 -7.372 1.00 0.00 ? 40 ASP B HA 28 ATOM 39690 H HB2 . ASP B 1 40 ? -21.867 9.695 -7.035 1.00 0.00 ? 40 ASP B HB2 28 ATOM 39691 H HB3 . ASP B 1 40 ? -22.195 10.791 -8.374 1.00 0.00 ? 40 ASP B HB3 28 ATOM 39692 N N . ASP B 1 41 ? -21.586 13.926 -6.693 1.00 0.00 ? 41 ASP B N 28 ATOM 39693 C CA . ASP B 1 41 ? -22.526 15.032 -6.555 1.00 0.00 ? 41 ASP B CA 28 ATOM 39694 C C . ASP B 1 41 ? -22.645 15.813 -7.860 1.00 0.00 ? 41 ASP B C 28 ATOM 39695 O O . ASP B 1 41 ? -23.509 16.712 -7.934 1.00 0.00 ? 41 ASP B O 28 ATOM 39696 C CB . ASP B 1 41 ? -22.083 15.967 -5.427 1.00 0.00 ? 41 ASP B CB 28 ATOM 39697 C CG . ASP B 1 41 ? -20.588 16.218 -5.439 1.00 0.00 ? 41 ASP B CG 28 ATOM 39698 O OD1 . ASP B 1 41 ? -20.003 16.271 -6.541 1.00 0.00 ? 41 ASP B OD1 28 ATOM 39699 O OD2 . ASP B 1 41 ? -20.002 16.365 -4.345 1.00 0.00 ? 41 ASP B OD2 28 ATOM 39700 O OXT . ASP B 1 41 ? -21.873 15.519 -8.797 1.00 0.00 ? 41 ASP B OXT 28 ATOM 39701 H H . ASP B 1 41 ? -20.629 14.119 -6.772 1.00 0.00 ? 41 ASP B H 28 ATOM 39702 H HA . ASP B 1 41 ? -23.492 14.618 -6.307 1.00 0.00 ? 41 ASP B HA 28 ATOM 39703 H HB2 . ASP B 1 41 ? -22.589 16.915 -5.533 1.00 0.00 ? 41 ASP B HB2 28 ATOM 39704 H HB3 . ASP B 1 41 ? -22.349 15.526 -4.478 1.00 0.00 ? 41 ASP B HB3 28 ATOM 39705 N N . ALA A 1 1 ? -29.719 10.470 2.687 1.00 0.00 ? 1 ALA A N 29 ATOM 39706 C CA . ALA A 1 1 ? -29.615 9.005 2.463 1.00 0.00 ? 1 ALA A CA 29 ATOM 39707 C C . ALA A 1 1 ? -28.746 8.348 3.530 1.00 0.00 ? 1 ALA A C 29 ATOM 39708 O O . ALA A 1 1 ? -28.106 9.030 4.330 1.00 0.00 ? 1 ALA A O 29 ATOM 39709 C CB . ALA A 1 1 ? -29.053 8.722 1.078 1.00 0.00 ? 1 ALA A CB 29 ATOM 39710 H H1 . ALA A 1 1 ? -28.757 10.863 2.658 1.00 0.00 ? 1 ALA A H1 29 ATOM 39711 H H2 . ALA A 1 1 ? -30.310 10.866 1.929 1.00 0.00 ? 1 ALA A H2 29 ATOM 39712 H H3 . ALA A 1 1 ? -30.159 10.618 3.618 1.00 0.00 ? 1 ALA A H3 29 ATOM 39713 H HA . ALA A 1 1 ? -30.608 8.582 2.514 1.00 0.00 ? 1 ALA A HA 29 ATOM 39714 H HB1 . ALA A 1 1 ? -28.257 7.995 1.155 1.00 0.00 ? 1 ALA A HB1 29 ATOM 39715 H HB2 . ALA A 1 1 ? -28.667 9.636 0.653 1.00 0.00 ? 1 ALA A HB2 29 ATOM 39716 H HB3 . ALA A 1 1 ? -29.836 8.333 0.445 1.00 0.00 ? 1 ALA A HB3 29 ATOM 39717 N N . LEU A 1 2 ? -28.729 7.019 3.536 1.00 0.00 ? 2 LEU A N 29 ATOM 39718 C CA . LEU A 1 2 ? -27.938 6.270 4.506 1.00 0.00 ? 2 LEU A CA 29 ATOM 39719 C C . LEU A 1 2 ? -28.203 4.772 4.384 1.00 0.00 ? 2 LEU A C 29 ATOM 39720 O O . LEU A 1 2 ? -29.142 4.247 4.980 1.00 0.00 ? 2 LEU A O 29 ATOM 39721 C CB . LEU A 1 2 ? -28.254 6.743 5.927 1.00 0.00 ? 2 LEU A CB 29 ATOM 39722 C CG . LEU A 1 2 ? -27.040 7.177 6.749 1.00 0.00 ? 2 LEU A CG 29 ATOM 39723 C CD1 . LEU A 1 2 ? -27.436 8.238 7.764 1.00 0.00 ? 2 LEU A CD1 29 ATOM 39724 C CD2 . LEU A 1 2 ? -26.412 5.979 7.445 1.00 0.00 ? 2 LEU A CD2 29 ATOM 39725 H H . LEU A 1 2 ? -29.260 6.531 2.873 1.00 0.00 ? 2 LEU A H 29 ATOM 39726 H HA . LEU A 1 2 ? -26.895 6.457 4.298 1.00 0.00 ? 2 LEU A HA 29 ATOM 39727 H HB2 . LEU A 1 2 ? -28.937 7.576 5.863 1.00 0.00 ? 2 LEU A HB2 29 ATOM 39728 H HB3 . LEU A 1 2 ? -28.745 5.937 6.452 1.00 0.00 ? 2 LEU A HB3 29 ATOM 39729 H HG . LEU A 1 2 ? -26.301 7.607 6.089 1.00 0.00 ? 2 LEU A HG 29 ATOM 39730 H HD11 . LEU A 1 2 ? -28.247 8.830 7.369 1.00 0.00 ? 2 LEU A HD11 29 ATOM 39731 H HD12 . LEU A 1 2 ? -27.752 7.760 8.680 1.00 0.00 ? 2 LEU A HD12 29 ATOM 39732 H HD13 . LEU A 1 2 ? -26.589 8.877 7.966 1.00 0.00 ? 2 LEU A HD13 29 ATOM 39733 H HD21 . LEU A 1 2 ? -27.183 5.269 7.705 1.00 0.00 ? 2 LEU A HD21 29 ATOM 39734 H HD22 . LEU A 1 2 ? -25.700 5.511 6.782 1.00 0.00 ? 2 LEU A HD22 29 ATOM 39735 H HD23 . LEU A 1 2 ? -25.907 6.307 8.342 1.00 0.00 ? 2 LEU A HD23 29 ATOM 39736 N N . LYS A 1 3 ? -27.366 4.091 3.606 1.00 0.00 ? 3 LYS A N 29 ATOM 39737 C CA . LYS A 1 3 ? -27.510 2.654 3.407 1.00 0.00 ? 3 LYS A CA 29 ATOM 39738 C C . LYS A 1 3 ? -26.726 1.877 4.458 1.00 0.00 ? 3 LYS A C 29 ATOM 39739 O O . LYS A 1 3 ? -25.792 2.403 5.065 1.00 0.00 ? 3 LYS A O 29 ATOM 39740 C CB . LYS A 1 3 ? -27.033 2.263 2.007 1.00 0.00 ? 3 LYS A CB 29 ATOM 39741 C CG . LYS A 1 3 ? -27.701 3.056 0.894 1.00 0.00 ? 3 LYS A CG 29 ATOM 39742 C CD . LYS A 1 3 ? -27.105 4.449 0.769 1.00 0.00 ? 3 LYS A CD 29 ATOM 39743 C CE . LYS A 1 3 ? -26.925 4.847 -0.687 1.00 0.00 ? 3 LYS A CE 29 ATOM 39744 N NZ . LYS A 1 3 ? -28.149 4.583 -1.492 1.00 0.00 ? 3 LYS A NZ 29 ATOM 39745 H H . LYS A 1 3 ? -26.636 4.566 3.158 1.00 0.00 ? 3 LYS A H 29 ATOM 39746 H HA . LYS A 1 3 ? -28.557 2.408 3.502 1.00 0.00 ? 3 LYS A HA 29 ATOM 39747 H HB2 . LYS A 1 3 ? -25.967 2.423 1.944 1.00 0.00 ? 3 LYS A HB2 29 ATOM 39748 H HB3 . LYS A 1 3 ? -27.242 1.215 1.848 1.00 0.00 ? 3 LYS A HB3 29 ATOM 39749 H HG2 . LYS A 1 3 ? -27.564 2.532 -0.040 1.00 0.00 ? 3 LYS A HG2 29 ATOM 39750 H HG3 . LYS A 1 3 ? -28.755 3.143 1.110 1.00 0.00 ? 3 LYS A HG3 29 ATOM 39751 H HD2 . LYS A 1 3 ? -27.766 5.157 1.246 1.00 0.00 ? 3 LYS A HD2 29 ATOM 39752 H HD3 . LYS A 1 3 ? -26.143 4.464 1.259 1.00 0.00 ? 3 LYS A HD3 29 ATOM 39753 H HE2 . LYS A 1 3 ? -26.696 5.902 -0.732 1.00 0.00 ? 3 LYS A HE2 29 ATOM 39754 H HE3 . LYS A 1 3 ? -26.102 4.284 -1.102 1.00 0.00 ? 3 LYS A HE3 29 ATOM 39755 H HZ1 . LYS A 1 3 ? -28.999 4.734 -0.910 1.00 0.00 ? 3 LYS A HZ1 29 ATOM 39756 H HZ2 . LYS A 1 3 ? -28.184 5.222 -2.312 1.00 0.00 ? 3 LYS A HZ2 29 ATOM 39757 H HZ3 . LYS A 1 3 ? -28.148 3.600 -1.833 1.00 0.00 ? 3 LYS A HZ3 29 ATOM 39758 N N . LYS A 1 4 ? -27.110 0.623 4.671 1.00 0.00 ? 4 LYS A N 29 ATOM 39759 C CA . LYS A 1 4 ? -26.441 -0.226 5.651 1.00 0.00 ? 4 LYS A CA 29 ATOM 39760 C C . LYS A 1 4 ? -25.543 -1.248 4.964 1.00 0.00 ? 4 LYS A C 29 ATOM 39761 O O . LYS A 1 4 ? -24.358 -1.358 5.279 1.00 0.00 ? 4 LYS A O 29 ATOM 39762 C CB . LYS A 1 4 ? -27.473 -0.940 6.524 1.00 0.00 ? 4 LYS A CB 29 ATOM 39763 C CG . LYS A 1 4 ? -27.507 -0.439 7.960 1.00 0.00 ? 4 LYS A CG 29 ATOM 39764 C CD . LYS A 1 4 ? -26.542 -1.212 8.843 1.00 0.00 ? 4 LYS A CD 29 ATOM 39765 C CE . LYS A 1 4 ? -26.985 -1.202 10.296 1.00 0.00 ? 4 LYS A CE 29 ATOM 39766 N NZ . LYS A 1 4 ? -26.052 -1.967 11.168 1.00 0.00 ? 4 LYS A NZ 29 ATOM 39767 H H . LYS A 1 4 ? -27.861 0.259 4.157 1.00 0.00 ? 4 LYS A H 29 ATOM 39768 H HA . LYS A 1 4 ? -25.831 0.409 6.276 1.00 0.00 ? 4 LYS A HA 29 ATOM 39769 H HB2 . LYS A 1 4 ? -28.453 -0.799 6.094 1.00 0.00 ? 4 LYS A HB2 29 ATOM 39770 H HB3 . LYS A 1 4 ? -27.245 -1.996 6.540 1.00 0.00 ? 4 LYS A HB3 29 ATOM 39771 H HG2 . LYS A 1 4 ? -27.234 0.605 7.972 1.00 0.00 ? 4 LYS A HG2 29 ATOM 39772 H HG3 . LYS A 1 4 ? -28.508 -0.556 8.348 1.00 0.00 ? 4 LYS A HG3 29 ATOM 39773 H HD2 . LYS A 1 4 ? -26.493 -2.234 8.499 1.00 0.00 ? 4 LYS A HD2 29 ATOM 39774 H HD3 . LYS A 1 4 ? -25.563 -0.760 8.771 1.00 0.00 ? 4 LYS A HD3 29 ATOM 39775 H HE2 . LYS A 1 4 ? -27.027 -0.179 10.639 1.00 0.00 ? 4 LYS A HE2 29 ATOM 39776 H HE3 . LYS A 1 4 ? -27.969 -1.644 10.362 1.00 0.00 ? 4 LYS A HE3 29 ATOM 39777 H HZ1 . LYS A 1 4 ? -25.694 -2.803 10.662 1.00 0.00 ? 4 LYS A HZ1 29 ATOM 39778 H HZ2 . LYS A 1 4 ? -25.245 -1.369 11.440 1.00 0.00 ? 4 LYS A HZ2 29 ATOM 39779 H HZ3 . LYS A 1 4 ? -26.542 -2.280 12.030 1.00 0.00 ? 4 LYS A HZ3 29 ATOM 39780 N N . HIS A 1 5 ? -26.113 -1.994 4.023 1.00 0.00 ? 5 HIS A N 29 ATOM 39781 C CA . HIS A 1 5 ? -25.360 -3.006 3.291 1.00 0.00 ? 5 HIS A CA 29 ATOM 39782 C C . HIS A 1 5 ? -24.073 -2.416 2.725 1.00 0.00 ? 5 HIS A C 29 ATOM 39783 O O . HIS A 1 5 ? -23.022 -3.060 2.737 1.00 0.00 ? 5 HIS A O 29 ATOM 39784 C CB . HIS A 1 5 ? -26.210 -3.586 2.160 1.00 0.00 ? 5 HIS A CB 29 ATOM 39785 C CG . HIS A 1 5 ? -27.066 -2.569 1.472 1.00 0.00 ? 5 HIS A CG 29 ATOM 39786 N ND1 . HIS A 1 5 ? -28.445 -2.579 1.532 1.00 0.00 ? 5 HIS A ND1 29 ATOM 39787 C CD2 . HIS A 1 5 ? -26.734 -1.503 0.705 1.00 0.00 ? 5 HIS A CD2 29 ATOM 39788 C CE1 . HIS A 1 5 ? -28.923 -1.566 0.831 1.00 0.00 ? 5 HIS A CE1 29 ATOM 39789 N NE2 . HIS A 1 5 ? -27.905 -0.898 0.321 1.00 0.00 ? 5 HIS A NE2 29 ATOM 39790 H H . HIS A 1 5 ? -27.061 -1.860 3.815 1.00 0.00 ? 5 HIS A H 29 ATOM 39791 H HA . HIS A 1 5 ? -25.107 -3.796 3.983 1.00 0.00 ? 5 HIS A HA 29 ATOM 39792 H HB2 . HIS A 1 5 ? -25.560 -4.027 1.420 1.00 0.00 ? 5 HIS A HB2 29 ATOM 39793 H HB3 . HIS A 1 5 ? -26.859 -4.351 2.562 1.00 0.00 ? 5 HIS A HB3 29 ATOM 39794 H HD1 . HIS A 1 5 ? -28.991 -3.233 2.016 1.00 0.00 ? 5 HIS A HD1 29 ATOM 39795 H HD2 . HIS A 1 5 ? -25.734 -1.188 0.445 1.00 0.00 ? 5 HIS A HD2 29 ATOM 39796 H HE1 . HIS A 1 5 ? -29.967 -1.324 0.699 1.00 0.00 ? 5 HIS A HE1 29 ATOM 39797 H HE2 . HIS A 1 5 ? -27.977 -0.098 -0.242 1.00 0.00 ? 5 HIS A HE2 29 ATOM 39798 N N . HIS A 1 6 ? -24.162 -1.185 2.234 1.00 0.00 ? 6 HIS A N 29 ATOM 39799 C CA . HIS A 1 6 ? -23.004 -0.506 1.668 1.00 0.00 ? 6 HIS A CA 29 ATOM 39800 C C . HIS A 1 6 ? -21.923 -0.323 2.724 1.00 0.00 ? 6 HIS A C 29 ATOM 39801 O O . HIS A 1 6 ? -20.785 -0.731 2.525 1.00 0.00 ? 6 HIS A O 29 ATOM 39802 C CB . HIS A 1 6 ? -23.408 0.849 1.085 1.00 0.00 ? 6 HIS A CB 29 ATOM 39803 C CG . HIS A 1 6 ? -23.595 0.830 -0.400 1.00 0.00 ? 6 HIS A CG 29 ATOM 39804 N ND1 . HIS A 1 6 ? -23.830 -0.328 -1.115 1.00 0.00 ? 6 HIS A ND1 29 ATOM 39805 C CD2 . HIS A 1 6 ? -23.583 1.834 -1.309 1.00 0.00 ? 6 HIS A CD2 29 ATOM 39806 C CE1 . HIS A 1 6 ? -23.952 -0.033 -2.397 1.00 0.00 ? 6 HIS A CE1 29 ATOM 39807 N NE2 . HIS A 1 6 ? -23.808 1.271 -2.540 1.00 0.00 ? 6 HIS A NE2 29 ATOM 39808 H H . HIS A 1 6 ? -25.025 -0.721 2.256 1.00 0.00 ? 6 HIS A H 29 ATOM 39809 H HA . HIS A 1 6 ? -22.610 -1.129 0.878 1.00 0.00 ? 6 HIS A HA 29 ATOM 39810 H HB2 . HIS A 1 6 ? -24.339 1.162 1.533 1.00 0.00 ? 6 HIS A HB2 29 ATOM 39811 H HB3 . HIS A 1 6 ? -22.642 1.575 1.316 1.00 0.00 ? 6 HIS A HB3 29 ATOM 39812 H HD1 . HIS A 1 6 ? -23.895 -1.230 -0.738 1.00 0.00 ? 6 HIS A HD1 29 ATOM 39813 H HD2 . HIS A 1 6 ? -23.426 2.883 -1.101 1.00 0.00 ? 6 HIS A HD2 29 ATOM 39814 H HE1 . HIS A 1 6 ? -24.142 -0.739 -3.192 1.00 0.00 ? 6 HIS A HE1 29 ATOM 39815 H HE2 . HIS A 1 6 ? -23.853 1.756 -3.390 1.00 0.00 ? 6 HIS A HE2 29 ATOM 39816 N N . GLU A 1 7 ? -22.288 0.287 3.846 1.00 0.00 ? 7 GLU A N 29 ATOM 39817 C CA . GLU A 1 7 ? -21.347 0.511 4.935 1.00 0.00 ? 7 GLU A CA 29 ATOM 39818 C C . GLU A 1 7 ? -20.675 -0.797 5.348 1.00 0.00 ? 7 GLU A C 29 ATOM 39819 O O . GLU A 1 7 ? -19.586 -0.790 5.920 1.00 0.00 ? 7 GLU A O 29 ATOM 39820 C CB . GLU A 1 7 ? -22.063 1.132 6.136 1.00 0.00 ? 7 GLU A CB 29 ATOM 39821 C CG . GLU A 1 7 ? -21.193 2.091 6.933 1.00 0.00 ? 7 GLU A CG 29 ATOM 39822 C CD . GLU A 1 7 ? -20.976 3.411 6.221 1.00 0.00 ? 7 GLU A CD 29 ATOM 39823 O OE1 . GLU A 1 7 ? -20.786 3.395 4.986 1.00 0.00 ? 7 GLU A OE1 29 ATOM 39824 O OE2 . GLU A 1 7 ? -20.999 4.461 6.897 1.00 0.00 ? 7 GLU A OE2 29 ATOM 39825 H H . GLU A 1 7 ? -23.212 0.589 3.946 1.00 0.00 ? 7 GLU A H 29 ATOM 39826 H HA . GLU A 1 7 ? -20.591 1.196 4.583 1.00 0.00 ? 7 GLU A HA 29 ATOM 39827 H HB2 . GLU A 1 7 ? -22.928 1.674 5.784 1.00 0.00 ? 7 GLU A HB2 29 ATOM 39828 H HB3 . GLU A 1 7 ? -22.387 0.341 6.795 1.00 0.00 ? 7 GLU A HB3 29 ATOM 39829 H HG2 . GLU A 1 7 ? -21.670 2.285 7.882 1.00 0.00 ? 7 GLU A HG2 29 ATOM 39830 H HG3 . GLU A 1 7 ? -20.232 1.628 7.103 1.00 0.00 ? 7 GLU A HG3 29 ATOM 39831 N N . ASN A 1 8 ? -21.330 -1.919 5.051 1.00 0.00 ? 8 ASN A N 29 ATOM 39832 C CA . ASN A 1 8 ? -20.790 -3.232 5.390 1.00 0.00 ? 8 ASN A CA 29 ATOM 39833 C C . ASN A 1 8 ? -19.589 -3.560 4.510 1.00 0.00 ? 8 ASN A C 29 ATOM 39834 O O . ASN A 1 8 ? -18.478 -3.747 5.007 1.00 0.00 ? 8 ASN A O 29 ATOM 39835 C CB . ASN A 1 8 ? -21.866 -4.309 5.232 1.00 0.00 ? 8 ASN A CB 29 ATOM 39836 C CG . ASN A 1 8 ? -22.304 -4.888 6.562 1.00 0.00 ? 8 ASN A CG 29 ATOM 39837 O OD1 . ASN A 1 8 ? -21.917 -4.398 7.623 1.00 0.00 ? 8 ASN A OD1 29 ATOM 39838 N ND2 . ASN A 1 8 ? -23.115 -5.938 6.511 1.00 0.00 ? 8 ASN A ND2 29 ATOM 39839 H H . ASN A 1 8 ? -22.194 -1.863 4.593 1.00 0.00 ? 8 ASN A H 29 ATOM 39840 H HA . ASN A 1 8 ? -20.469 -3.202 6.420 1.00 0.00 ? 8 ASN A HA 29 ATOM 39841 H HB2 . ASN A 1 8 ? -22.730 -3.878 4.746 1.00 0.00 ? 8 ASN A HB2 29 ATOM 39842 H HB3 . ASN A 1 8 ? -21.477 -5.110 4.620 1.00 0.00 ? 8 ASN A HB3 29 ATOM 39843 H HD21 . ASN A 1 8 ? -23.383 -6.274 5.630 1.00 0.00 ? 8 ASN A HD21 29 ATOM 39844 H HD22 . ASN A 1 8 ? -23.415 -6.333 7.357 1.00 0.00 ? 8 ASN A HD22 29 ATOM 39845 N N . GLU A 1 9 ? -19.814 -3.605 3.200 1.00 0.00 ? 9 GLU A N 29 ATOM 39846 C CA . GLU A 1 9 ? -18.734 -3.885 2.258 1.00 0.00 ? 9 GLU A CA 29 ATOM 39847 C C . GLU A 1 9 ? -17.769 -2.700 2.169 1.00 0.00 ? 9 GLU A C 29 ATOM 39848 O O . GLU A 1 9 ? -16.709 -2.794 1.551 1.00 0.00 ? 9 GLU A O 29 ATOM 39849 C CB . GLU A 1 9 ? -19.305 -4.197 0.874 1.00 0.00 ? 9 GLU A CB 29 ATOM 39850 C CG . GLU A 1 9 ? -20.466 -5.178 0.900 1.00 0.00 ? 9 GLU A CG 29 ATOM 39851 C CD . GLU A 1 9 ? -21.813 -4.489 0.805 1.00 0.00 ? 9 GLU A CD 29 ATOM 39852 O OE1 . GLU A 1 9 ? -21.881 -3.399 0.199 1.00 0.00 ? 9 GLU A OE1 29 ATOM 39853 O OE2 . GLU A 1 9 ? -22.800 -5.040 1.337 1.00 0.00 ? 9 GLU A OE2 29 ATOM 39854 H H . GLU A 1 9 ? -20.719 -3.427 2.856 1.00 0.00 ? 9 GLU A H 29 ATOM 39855 H HA . GLU A 1 9 ? -18.195 -4.748 2.620 1.00 0.00 ? 9 GLU A HA 29 ATOM 39856 H HB2 . GLU A 1 9 ? -19.649 -3.278 0.423 1.00 0.00 ? 9 GLU A HB2 29 ATOM 39857 H HB3 . GLU A 1 9 ? -18.522 -4.617 0.260 1.00 0.00 ? 9 GLU A HB3 29 ATOM 39858 H HG2 . GLU A 1 9 ? -20.367 -5.857 0.067 1.00 0.00 ? 9 GLU A HG2 29 ATOM 39859 H HG3 . GLU A 1 9 ? -20.427 -5.736 1.825 1.00 0.00 ? 9 GLU A HG3 29 ATOM 39860 N N . ILE A 1 10 ? -18.144 -1.587 2.799 1.00 0.00 ? 10 ILE A N 29 ATOM 39861 C CA . ILE A 1 10 ? -17.332 -0.384 2.804 1.00 0.00 ? 10 ILE A CA 29 ATOM 39862 C C . ILE A 1 10 ? -16.397 -0.390 4.009 1.00 0.00 ? 10 ILE A C 29 ATOM 39863 O O . ILE A 1 10 ? -15.300 0.166 3.962 1.00 0.00 ? 10 ILE A O 29 ATOM 39864 C CB . ILE A 1 10 ? -18.244 0.871 2.824 1.00 0.00 ? 10 ILE A CB 29 ATOM 39865 C CG1 . ILE A 1 10 ? -18.953 1.022 1.478 1.00 0.00 ? 10 ILE A CG1 29 ATOM 39866 C CG2 . ILE A 1 10 ? -17.470 2.139 3.155 1.00 0.00 ? 10 ILE A CG2 29 ATOM 39867 C CD1 . ILE A 1 10 ? -20.158 1.935 1.527 1.00 0.00 ? 10 ILE A CD1 29 ATOM 39868 H H . ILE A 1 10 ? -18.990 -1.573 3.279 1.00 0.00 ? 10 ILE A H 29 ATOM 39869 H HA . ILE A 1 10 ? -16.744 -0.371 1.899 1.00 0.00 ? 10 ILE A HA 29 ATOM 39870 H HB . ILE A 1 10 ? -18.987 0.728 3.592 1.00 0.00 ? 10 ILE A HB 29 ATOM 39871 H HG12 . ILE A 1 10 ? -18.259 1.430 0.757 1.00 0.00 ? 10 ILE A HG12 29 ATOM 39872 H HG13 . ILE A 1 10 ? -19.285 0.051 1.141 1.00 0.00 ? 10 ILE A HG13 29 ATOM 39873 H HG21 . ILE A 1 10 ? -16.890 1.985 4.053 1.00 0.00 ? 10 ILE A HG21 29 ATOM 39874 H HG22 . ILE A 1 10 ? -16.812 2.385 2.336 1.00 0.00 ? 10 ILE A HG22 29 ATOM 39875 H HG23 . ILE A 1 10 ? -18.168 2.949 3.313 1.00 0.00 ? 10 ILE A HG23 29 ATOM 39876 H HD11 . ILE A 1 10 ? -20.700 1.766 2.446 1.00 0.00 ? 10 ILE A HD11 29 ATOM 39877 H HD12 . ILE A 1 10 ? -19.833 2.964 1.486 1.00 0.00 ? 10 ILE A HD12 29 ATOM 39878 H HD13 . ILE A 1 10 ? -20.803 1.727 0.686 1.00 0.00 ? 10 ILE A HD13 29 ATOM 39879 N N . SER A 1 11 ? -16.831 -1.041 5.080 1.00 0.00 ? 11 SER A N 29 ATOM 39880 C CA . SER A 1 11 ? -16.022 -1.136 6.284 1.00 0.00 ? 11 SER A CA 29 ATOM 39881 C C . SER A 1 11 ? -14.984 -2.236 6.120 1.00 0.00 ? 11 SER A C 29 ATOM 39882 O O . SER A 1 11 ? -13.896 -2.172 6.692 1.00 0.00 ? 11 SER A O 29 ATOM 39883 C CB . SER A 1 11 ? -16.903 -1.416 7.504 1.00 0.00 ? 11 SER A CB 29 ATOM 39884 O OG . SER A 1 11 ? -17.819 -2.464 7.242 1.00 0.00 ? 11 SER A OG 29 ATOM 39885 H H . SER A 1 11 ? -17.708 -1.479 5.054 1.00 0.00 ? 11 SER A H 29 ATOM 39886 H HA . SER A 1 11 ? -15.512 -0.194 6.419 1.00 0.00 ? 11 SER A HA 29 ATOM 39887 H HB2 . SER A 1 11 ? -16.278 -1.701 8.337 1.00 0.00 ? 11 SER A HB2 29 ATOM 39888 H HB3 . SER A 1 11 ? -17.457 -0.524 7.757 1.00 0.00 ? 11 SER A HB3 29 ATOM 39889 H HG . SER A 1 11 ? -18.678 -2.237 7.606 1.00 0.00 ? 11 SER A HG 29 ATOM 39890 N N . HIS A 1 12 ? -15.328 -3.240 5.319 1.00 0.00 ? 12 HIS A N 29 ATOM 39891 C CA . HIS A 1 12 ? -14.426 -4.350 5.062 1.00 0.00 ? 12 HIS A CA 29 ATOM 39892 C C . HIS A 1 12 ? -13.374 -3.935 4.030 1.00 0.00 ? 12 HIS A C 29 ATOM 39893 O O . HIS A 1 12 ? -12.178 -4.139 4.242 1.00 0.00 ? 12 HIS A O 29 ATOM 39894 C CB . HIS A 1 12 ? -15.240 -5.588 4.622 1.00 0.00 ? 12 HIS A CB 29 ATOM 39895 C CG . HIS A 1 12 ? -14.645 -6.395 3.504 1.00 0.00 ? 12 HIS A CG 29 ATOM 39896 N ND1 . HIS A 1 12 ? -13.802 -7.468 3.709 1.00 0.00 ? 12 HIS A ND1 29 ATOM 39897 C CD2 . HIS A 1 12 ? -14.783 -6.276 2.166 1.00 0.00 ? 12 HIS A CD2 29 ATOM 39898 C CE1 . HIS A 1 12 ? -13.447 -7.973 2.541 1.00 0.00 ? 12 HIS A CE1 29 ATOM 39899 N NE2 . HIS A 1 12 ? -14.030 -7.268 1.589 1.00 0.00 ? 12 HIS A NE2 29 ATOM 39900 H H . HIS A 1 12 ? -16.206 -3.230 4.881 1.00 0.00 ? 12 HIS A H 29 ATOM 39901 H HA . HIS A 1 12 ? -13.920 -4.574 5.990 1.00 0.00 ? 12 HIS A HA 29 ATOM 39902 H HB2 . HIS A 1 12 ? -15.352 -6.245 5.469 1.00 0.00 ? 12 HIS A HB2 29 ATOM 39903 H HB3 . HIS A 1 12 ? -16.220 -5.261 4.306 1.00 0.00 ? 12 HIS A HB3 29 ATOM 39904 H HD1 . HIS A 1 12 ? -13.508 -7.807 4.580 1.00 0.00 ? 12 HIS A HD1 29 ATOM 39905 H HD2 . HIS A 1 12 ? -15.377 -5.534 1.649 1.00 0.00 ? 12 HIS A HD2 29 ATOM 39906 H HE1 . HIS A 1 12 ? -12.793 -8.819 2.390 1.00 0.00 ? 12 HIS A HE1 29 ATOM 39907 H HE2 . HIS A 1 12 ? -13.937 -7.428 0.626 1.00 0.00 ? 12 HIS A HE2 29 ATOM 39908 N N . HIS A 1 13 ? -13.814 -3.335 2.924 1.00 0.00 ? 13 HIS A N 29 ATOM 39909 C CA . HIS A 1 13 ? -12.880 -2.889 1.901 1.00 0.00 ? 13 HIS A CA 29 ATOM 39910 C C . HIS A 1 13 ? -12.021 -1.755 2.437 1.00 0.00 ? 13 HIS A C 29 ATOM 39911 O O . HIS A 1 13 ? -10.897 -1.555 1.988 1.00 0.00 ? 13 HIS A O 29 ATOM 39912 C CB . HIS A 1 13 ? -13.610 -2.412 0.650 1.00 0.00 ? 13 HIS A CB 29 ATOM 39913 C CG . HIS A 1 13 ? -14.392 -3.469 -0.049 1.00 0.00 ? 13 HIS A CG 29 ATOM 39914 N ND1 . HIS A 1 13 ? -14.040 -4.802 -0.060 1.00 0.00 ? 13 HIS A ND1 29 ATOM 39915 C CD2 . HIS A 1 13 ? -15.522 -3.371 -0.776 1.00 0.00 ? 13 HIS A CD2 29 ATOM 39916 C CE1 . HIS A 1 13 ? -14.926 -5.481 -0.767 1.00 0.00 ? 13 HIS A CE1 29 ATOM 39917 N NE2 . HIS A 1 13 ? -15.836 -4.635 -1.213 1.00 0.00 ? 13 HIS A NE2 29 ATOM 39918 H H . HIS A 1 13 ? -14.778 -3.178 2.801 1.00 0.00 ? 13 HIS A H 29 ATOM 39919 H HA . HIS A 1 13 ? -12.242 -3.722 1.644 1.00 0.00 ? 13 HIS A HA 29 ATOM 39920 H HB2 . HIS A 1 13 ? -14.296 -1.628 0.923 1.00 0.00 ? 13 HIS A HB2 29 ATOM 39921 H HB3 . HIS A 1 13 ? -12.886 -2.020 -0.049 1.00 0.00 ? 13 HIS A HB3 29 ATOM 39922 H HD1 . HIS A 1 13 ? -13.258 -5.192 0.384 1.00 0.00 ? 13 HIS A HD1 29 ATOM 39923 H HD2 . HIS A 1 13 ? -16.068 -2.462 -0.976 1.00 0.00 ? 13 HIS A HD2 29 ATOM 39924 H HE1 . HIS A 1 13 ? -14.909 -6.545 -0.950 1.00 0.00 ? 13 HIS A HE1 29 ATOM 39925 H HE2 . HIS A 1 13 ? -16.610 -4.873 -1.765 1.00 0.00 ? 13 HIS A HE2 29 ATOM 39926 N N . ALA A 1 14 ? -12.562 -1.011 3.401 1.00 0.00 ? 14 ALA A N 29 ATOM 39927 C CA . ALA A 1 14 ? -11.839 0.104 3.996 1.00 0.00 ? 14 ALA A CA 29 ATOM 39928 C C . ALA A 1 14 ? -10.652 -0.404 4.800 1.00 0.00 ? 14 ALA A C 29 ATOM 39929 O O . ALA A 1 14 ? -9.528 0.066 4.629 1.00 0.00 ? 14 ALA A O 29 ATOM 39930 C CB . ALA A 1 14 ? -12.765 0.930 4.874 1.00 0.00 ? 14 ALA A CB 29 ATOM 39931 H H . ALA A 1 14 ? -13.468 -1.218 3.718 1.00 0.00 ? 14 ALA A H 29 ATOM 39932 H HA . ALA A 1 14 ? -11.476 0.734 3.195 1.00 0.00 ? 14 ALA A HA 29 ATOM 39933 H HB1 . ALA A 1 14 ? -13.376 0.272 5.475 1.00 0.00 ? 14 ALA A HB1 29 ATOM 39934 H HB2 . ALA A 1 14 ? -12.177 1.566 5.521 1.00 0.00 ? 14 ALA A HB2 29 ATOM 39935 H HB3 . ALA A 1 14 ? -13.402 1.542 4.252 1.00 0.00 ? 14 ALA A HB3 29 ATOM 39936 N N . LYS A 1 15 ? -10.905 -1.380 5.664 1.00 0.00 ? 15 LYS A N 29 ATOM 39937 C CA . LYS A 1 15 ? -9.846 -1.961 6.475 1.00 0.00 ? 15 LYS A CA 29 ATOM 39938 C C . LYS A 1 15 ? -8.847 -2.698 5.587 1.00 0.00 ? 15 LYS A C 29 ATOM 39939 O O . LYS A 1 15 ? -7.695 -2.905 5.970 1.00 0.00 ? 15 LYS A O 29 ATOM 39940 C CB . LYS A 1 15 ? -10.431 -2.919 7.514 1.00 0.00 ? 15 LYS A CB 29 ATOM 39941 C CG . LYS A 1 15 ? -10.486 -2.335 8.916 1.00 0.00 ? 15 LYS A CG 29 ATOM 39942 C CD . LYS A 1 15 ? -9.179 -2.552 9.662 1.00 0.00 ? 15 LYS A CD 29 ATOM 39943 C CE . LYS A 1 15 ? -9.421 -2.890 11.124 1.00 0.00 ? 15 LYS A CE 29 ATOM 39944 N NZ . LYS A 1 15 ? -10.025 -4.241 11.288 1.00 0.00 ? 15 LYS A NZ 29 ATOM 39945 H H . LYS A 1 15 ? -11.821 -1.727 5.748 1.00 0.00 ? 15 LYS A H 29 ATOM 39946 H HA . LYS A 1 15 ? -9.334 -1.156 6.981 1.00 0.00 ? 15 LYS A HA 29 ATOM 39947 H HB2 . LYS A 1 15 ? -11.436 -3.183 7.218 1.00 0.00 ? 15 LYS A HB2 29 ATOM 39948 H HB3 . LYS A 1 15 ? -9.827 -3.813 7.543 1.00 0.00 ? 15 LYS A HB3 29 ATOM 39949 H HG2 . LYS A 1 15 ? -10.677 -1.274 8.848 1.00 0.00 ? 15 LYS A HG2 29 ATOM 39950 H HG3 . LYS A 1 15 ? -11.285 -2.812 9.463 1.00 0.00 ? 15 LYS A HG3 29 ATOM 39951 H HD2 . LYS A 1 15 ? -8.642 -3.366 9.198 1.00 0.00 ? 15 LYS A HD2 29 ATOM 39952 H HD3 . LYS A 1 15 ? -8.588 -1.649 9.603 1.00 0.00 ? 15 LYS A HD3 29 ATOM 39953 H HE2 . LYS A 1 15 ? -8.476 -2.862 11.647 1.00 0.00 ? 15 LYS A HE2 29 ATOM 39954 H HE3 . LYS A 1 15 ? -10.087 -2.152 11.545 1.00 0.00 ? 15 LYS A HE3 29 ATOM 39955 H HZ1 . LYS A 1 15 ? -10.076 -4.725 10.370 1.00 0.00 ? 15 LYS A HZ1 29 ATOM 39956 H HZ2 . LYS A 1 15 ? -9.450 -4.814 11.938 1.00 0.00 ? 15 LYS A HZ2 29 ATOM 39957 H HZ3 . LYS A 1 15 ? -10.987 -4.157 11.676 1.00 0.00 ? 15 LYS A HZ3 29 ATOM 39958 N N . GLU A 1 16 ? -9.298 -3.091 4.396 1.00 0.00 ? 16 GLU A N 29 ATOM 39959 C CA . GLU A 1 16 ? -8.449 -3.802 3.451 1.00 0.00 ? 16 GLU A CA 29 ATOM 39960 C C . GLU A 1 16 ? -7.469 -2.852 2.767 1.00 0.00 ? 16 GLU A C 29 ATOM 39961 O O . GLU A 1 16 ? -6.314 -3.207 2.538 1.00 0.00 ? 16 GLU A O 29 ATOM 39962 C CB . GLU A 1 16 ? -9.304 -4.511 2.401 1.00 0.00 ? 16 GLU A CB 29 ATOM 39963 C CG . GLU A 1 16 ? -10.260 -5.538 2.986 1.00 0.00 ? 16 GLU A CG 29 ATOM 39964 C CD . GLU A 1 16 ? -9.871 -6.962 2.637 1.00 0.00 ? 16 GLU A CD 29 ATOM 39965 O OE1 . GLU A 1 16 ? -8.660 -7.269 2.663 1.00 0.00 ? 16 GLU A OE1 29 ATOM 39966 O OE2 . GLU A 1 16 ? -10.776 -7.769 2.340 1.00 0.00 ? 16 GLU A OE2 29 ATOM 39967 H H . GLU A 1 16 ? -10.225 -2.898 4.147 1.00 0.00 ? 16 GLU A H 29 ATOM 39968 H HA . GLU A 1 16 ? -7.888 -4.541 4.003 1.00 0.00 ? 16 GLU A HA 29 ATOM 39969 H HB2 . GLU A 1 16 ? -9.886 -3.773 1.868 1.00 0.00 ? 16 GLU A HB2 29 ATOM 39970 H HB3 . GLU A 1 16 ? -8.652 -5.015 1.703 1.00 0.00 ? 16 GLU A HB3 29 ATOM 39971 H HG2 . GLU A 1 16 ? -10.264 -5.436 4.061 1.00 0.00 ? 16 GLU A HG2 29 ATOM 39972 H HG3 . GLU A 1 16 ? -11.252 -5.348 2.603 1.00 0.00 ? 16 GLU A HG3 29 ATOM 39973 N N . ILE A 1 17 ? -7.931 -1.646 2.439 1.00 0.00 ? 17 ILE A N 29 ATOM 39974 C CA . ILE A 1 17 ? -7.075 -0.666 1.779 1.00 0.00 ? 17 ILE A CA 29 ATOM 39975 C C . ILE A 1 17 ? -6.045 -0.096 2.754 1.00 0.00 ? 17 ILE A C 29 ATOM 39976 O O . ILE A 1 17 ? -4.898 0.157 2.385 1.00 0.00 ? 17 ILE A O 29 ATOM 39977 C CB . ILE A 1 17 ? -7.913 0.474 1.134 1.00 0.00 ? 17 ILE A CB 29 ATOM 39978 C CG1 . ILE A 1 17 ? -8.257 1.578 2.145 1.00 0.00 ? 17 ILE A CG1 29 ATOM 39979 C CG2 . ILE A 1 17 ? -9.190 -0.090 0.534 1.00 0.00 ? 17 ILE A CG2 29 ATOM 39980 C CD1 . ILE A 1 17 ? -7.215 2.673 2.222 1.00 0.00 ? 17 ILE A CD1 29 ATOM 39981 H H . ILE A 1 17 ? -8.865 -1.411 2.640 1.00 0.00 ? 17 ILE A H 29 ATOM 39982 H HA . ILE A 1 17 ? -6.542 -1.178 0.988 1.00 0.00 ? 17 ILE A HA 29 ATOM 39983 H HB . ILE A 1 17 ? -7.333 0.899 0.327 1.00 0.00 ? 17 ILE A HB 29 ATOM 39984 H HG12 . ILE A 1 17 ? -9.196 2.034 1.866 1.00 0.00 ? 17 ILE A HG12 29 ATOM 39985 H HG13 . ILE A 1 17 ? -8.352 1.140 3.127 1.00 0.00 ? 17 ILE A HG13 29 ATOM 39986 H HG21 . ILE A 1 17 ? -9.151 -1.169 0.550 1.00 0.00 ? 17 ILE A HG21 29 ATOM 39987 H HG22 . ILE A 1 17 ? -10.038 0.248 1.112 1.00 0.00 ? 17 ILE A HG22 29 ATOM 39988 H HG23 . ILE A 1 17 ? -9.291 0.252 -0.484 1.00 0.00 ? 17 ILE A HG23 29 ATOM 39989 H HD11 . ILE A 1 17 ? -6.323 2.357 1.701 1.00 0.00 ? 17 ILE A HD11 29 ATOM 39990 H HD12 . ILE A 1 17 ? -7.602 3.571 1.761 1.00 0.00 ? 17 ILE A HD12 29 ATOM 39991 H HD13 . ILE A 1 17 ? -6.978 2.872 3.256 1.00 0.00 ? 17 ILE A HD13 29 ATOM 39992 N N . GLU A 1 18 ? -6.462 0.093 4.002 1.00 0.00 ? 18 GLU A N 29 ATOM 39993 C CA . GLU A 1 18 ? -5.574 0.621 5.029 1.00 0.00 ? 18 GLU A CA 29 ATOM 39994 C C . GLU A 1 18 ? -4.597 -0.454 5.490 1.00 0.00 ? 18 GLU A C 29 ATOM 39995 O O . GLU A 1 18 ? -3.493 -0.153 5.944 1.00 0.00 ? 18 GLU A O 29 ATOM 39996 C CB . GLU A 1 18 ? -6.384 1.138 6.220 1.00 0.00 ? 18 GLU A CB 29 ATOM 39997 C CG . GLU A 1 18 ? -5.665 2.209 7.024 1.00 0.00 ? 18 GLU A CG 29 ATOM 39998 C CD . GLU A 1 18 ? -6.347 2.500 8.346 1.00 0.00 ? 18 GLU A CD 29 ATOM 39999 O OE1 . GLU A 1 18 ? -7.557 2.215 8.466 1.00 0.00 ? 18 GLU A OE1 29 ATOM 40000 O OE2 . GLU A 1 18 ? -5.670 3.014 9.263 1.00 0.00 ? 18 GLU A OE2 29 ATOM 40001 H H . GLU A 1 18 ? -7.385 -0.135 4.239 1.00 0.00 ? 18 GLU A H 29 ATOM 40002 H HA . GLU A 1 18 ? -5.017 1.440 4.599 1.00 0.00 ? 18 GLU A HA 29 ATOM 40003 H HB2 . GLU A 1 18 ? -7.312 1.553 5.857 1.00 0.00 ? 18 GLU A HB2 29 ATOM 40004 H HB3 . GLU A 1 18 ? -6.602 0.310 6.878 1.00 0.00 ? 18 GLU A HB3 29 ATOM 40005 H HG2 . GLU A 1 18 ? -4.657 1.877 7.222 1.00 0.00 ? 18 GLU A HG2 29 ATOM 40006 H HG3 . GLU A 1 18 ? -5.636 3.119 6.442 1.00 0.00 ? 18 GLU A HG3 29 ATOM 40007 N N . ARG A 1 19 ? -5.011 -1.711 5.363 1.00 0.00 ? 19 ARG A N 29 ATOM 40008 C CA . ARG A 1 19 ? -4.176 -2.837 5.760 1.00 0.00 ? 19 ARG A CA 29 ATOM 40009 C C . ARG A 1 19 ? -3.029 -3.031 4.775 1.00 0.00 ? 19 ARG A C 29 ATOM 40010 O O . ARG A 1 19 ? -1.876 -3.214 5.174 1.00 0.00 ? 19 ARG A O 29 ATOM 40011 C CB . ARG A 1 19 ? -5.012 -4.115 5.848 1.00 0.00 ? 19 ARG A CB 29 ATOM 40012 C CG . ARG A 1 19 ? -4.204 -5.346 6.222 1.00 0.00 ? 19 ARG A CG 29 ATOM 40013 C CD . ARG A 1 19 ? -4.857 -6.619 5.708 1.00 0.00 ? 19 ARG A CD 29 ATOM 40014 N NE . ARG A 1 19 ? -4.675 -7.738 6.627 1.00 0.00 ? 19 ARG A NE 29 ATOM 40015 C CZ . ARG A 1 19 ? -3.561 -8.460 6.697 1.00 0.00 ? 19 ARG A CZ 29 ATOM 40016 N NH1 . ARG A 1 19 ? -2.537 -8.180 5.903 1.00 0.00 ? 19 ARG A NH1 29 ATOM 40017 N NH2 . ARG A 1 19 ? -3.470 -9.461 7.561 1.00 0.00 ? 19 ARG A NH2 29 ATOM 40018 H H . ARG A 1 19 ? -5.901 -1.886 4.991 1.00 0.00 ? 19 ARG A H 29 ATOM 40019 H HA . ARG A 1 19 ? -3.765 -2.618 6.734 1.00 0.00 ? 19 ARG A HA 29 ATOM 40020 H HB2 . ARG A 1 19 ? -5.783 -3.977 6.592 1.00 0.00 ? 19 ARG A HB2 29 ATOM 40021 H HB3 . ARG A 1 19 ? -5.477 -4.293 4.889 1.00 0.00 ? 19 ARG A HB3 29 ATOM 40022 H HG2 . ARG A 1 19 ? -3.217 -5.262 5.793 1.00 0.00 ? 19 ARG A HG2 29 ATOM 40023 H HG3 . ARG A 1 19 ? -4.127 -5.401 7.298 1.00 0.00 ? 19 ARG A HG3 29 ATOM 40024 H HD2 . ARG A 1 19 ? -5.914 -6.439 5.580 1.00 0.00 ? 19 ARG A HD2 29 ATOM 40025 H HD3 . ARG A 1 19 ? -4.419 -6.873 4.753 1.00 0.00 ? 19 ARG A HD3 29 ATOM 40026 H HE . ARG A 1 19 ? -5.420 -7.963 7.223 1.00 0.00 ? 19 ARG A HE 29 ATOM 40027 H HH11 . ARG A 1 19 ? -2.602 -7.425 5.250 1.00 0.00 ? 19 ARG A HH11 29 ATOM 40028 H HH12 . ARG A 1 19 ? -1.699 -8.724 5.957 1.00 0.00 ? 19 ARG A HH12 29 ATOM 40029 H HH21 . ARG A 1 19 ? -4.241 -9.675 8.162 1.00 0.00 ? 19 ARG A HH21 29 ATOM 40030 H HH22 . ARG A 1 19 ? -2.632 -10.003 7.612 1.00 0.00 ? 19 ARG A HH22 29 ATOM 40031 N N . LEU A 1 20 ? -3.345 -2.984 3.483 1.00 0.00 ? 20 LEU A N 29 ATOM 40032 C CA . LEU A 1 20 ? -2.330 -3.150 2.453 1.00 0.00 ? 20 LEU A CA 29 ATOM 40033 C C . LEU A 1 20 ? -1.349 -1.985 2.487 1.00 0.00 ? 20 LEU A C 29 ATOM 40034 O O . LEU A 1 20 ? -0.148 -2.164 2.287 1.00 0.00 ? 20 LEU A O 29 ATOM 40035 C CB . LEU A 1 20 ? -2.979 -3.255 1.073 1.00 0.00 ? 20 LEU A CB 29 ATOM 40036 C CG . LEU A 1 20 ? -4.158 -4.225 0.984 1.00 0.00 ? 20 LEU A CG 29 ATOM 40037 C CD1 . LEU A 1 20 ? -5.264 -3.644 0.116 1.00 0.00 ? 20 LEU A CD1 29 ATOM 40038 C CD2 . LEU A 1 20 ? -3.701 -5.569 0.438 1.00 0.00 ? 20 LEU A CD2 29 ATOM 40039 H H . LEU A 1 20 ? -4.278 -2.827 3.218 1.00 0.00 ? 20 LEU A H 29 ATOM 40040 H HA . LEU A 1 20 ? -1.793 -4.063 2.661 1.00 0.00 ? 20 LEU A HA 29 ATOM 40041 H HB2 . LEU A 1 20 ? -3.325 -2.273 0.784 1.00 0.00 ? 20 LEU A HB2 29 ATOM 40042 H HB3 . LEU A 1 20 ? -2.226 -3.576 0.368 1.00 0.00 ? 20 LEU A HB3 29 ATOM 40043 H HG . LEU A 1 20 ? -4.560 -4.385 1.974 1.00 0.00 ? 20 LEU A HG 29 ATOM 40044 H HD11 . LEU A 1 20 ? -5.290 -2.571 0.237 1.00 0.00 ? 20 LEU A HD11 29 ATOM 40045 H HD12 . LEU A 1 20 ? -5.072 -3.885 -0.919 1.00 0.00 ? 20 LEU A HD12 29 ATOM 40046 H HD13 . LEU A 1 20 ? -6.213 -4.063 0.414 1.00 0.00 ? 20 LEU A HD13 29 ATOM 40047 H HD21 . LEU A 1 20 ? -2.863 -5.421 -0.228 1.00 0.00 ? 20 LEU A HD21 29 ATOM 40048 H HD22 . LEU A 1 20 ? -3.401 -6.207 1.256 1.00 0.00 ? 20 LEU A HD22 29 ATOM 40049 H HD23 . LEU A 1 20 ? -4.513 -6.034 -0.103 1.00 0.00 ? 20 LEU A HD23 29 ATOM 40050 N N . GLN A 1 21 ? -1.872 -0.792 2.753 1.00 0.00 ? 21 GLN A N 29 ATOM 40051 C CA . GLN A 1 21 ? -1.044 0.405 2.825 1.00 0.00 ? 21 GLN A CA 29 ATOM 40052 C C . GLN A 1 21 ? -0.035 0.286 3.960 1.00 0.00 ? 21 GLN A C 29 ATOM 40053 O O . GLN A 1 21 ? 1.114 0.706 3.830 1.00 0.00 ? 21 GLN A O 29 ATOM 40054 C CB . GLN A 1 21 ? -1.918 1.645 3.028 1.00 0.00 ? 21 GLN A CB 29 ATOM 40055 C CG . GLN A 1 21 ? -1.151 2.953 2.915 1.00 0.00 ? 21 GLN A CG 29 ATOM 40056 C CD . GLN A 1 21 ? -1.903 4.122 3.521 1.00 0.00 ? 21 GLN A CD 29 ATOM 40057 O OE1 . GLN A 1 21 ? -1.310 4.995 4.156 1.00 0.00 ? 21 GLN A OE1 29 ATOM 40058 N NE2 . GLN A 1 21 ? -3.217 4.145 3.330 1.00 0.00 ? 21 GLN A NE2 29 ATOM 40059 H H . GLN A 1 21 ? -2.836 -0.716 2.911 1.00 0.00 ? 21 GLN A H 29 ATOM 40060 H HA . GLN A 1 21 ? -0.512 0.498 1.891 1.00 0.00 ? 21 GLN A HA 29 ATOM 40061 H HB2 . GLN A 1 21 ? -2.700 1.646 2.285 1.00 0.00 ? 21 GLN A HB2 29 ATOM 40062 H HB3 . GLN A 1 21 ? -2.365 1.599 4.010 1.00 0.00 ? 21 GLN A HB3 29 ATOM 40063 H HG2 . GLN A 1 21 ? -0.207 2.848 3.428 1.00 0.00 ? 21 GLN A HG2 29 ATOM 40064 H HG3 . GLN A 1 21 ? -0.972 3.162 1.871 1.00 0.00 ? 21 GLN A HG3 29 ATOM 40065 H HE21 . GLN A 1 21 ? -3.622 3.416 2.815 1.00 0.00 ? 21 GLN A HE21 29 ATOM 40066 H HE22 . GLN A 1 21 ? -3.728 4.889 3.711 1.00 0.00 ? 21 GLN A HE22 29 ATOM 40067 N N . LYS A 1 22 ? -0.471 -0.296 5.073 1.00 0.00 ? 22 LYS A N 29 ATOM 40068 C CA . LYS A 1 22 ? 0.397 -0.480 6.228 1.00 0.00 ? 22 LYS A CA 29 ATOM 40069 C C . LYS A 1 22 ? 1.601 -1.336 5.855 1.00 0.00 ? 22 LYS A C 29 ATOM 40070 O O . LYS A 1 22 ? 2.744 -0.981 6.147 1.00 0.00 ? 22 LYS A O 29 ATOM 40071 C CB . LYS A 1 22 ? -0.375 -1.132 7.376 1.00 0.00 ? 22 LYS A CB 29 ATOM 40072 C CG . LYS A 1 22 ? 0.494 -1.486 8.572 1.00 0.00 ? 22 LYS A CG 29 ATOM 40073 C CD . LYS A 1 22 ? -0.188 -2.501 9.476 1.00 0.00 ? 22 LYS A CD 29 ATOM 40074 C CE . LYS A 1 22 ? 0.156 -3.926 9.072 1.00 0.00 ? 22 LYS A CE 29 ATOM 40075 N NZ . LYS A 1 22 ? 0.761 -4.692 10.195 1.00 0.00 ? 22 LYS A NZ 29 ATOM 40076 H H . LYS A 1 22 ? -1.397 -0.616 5.114 1.00 0.00 ? 22 LYS A H 29 ATOM 40077 H HA . LYS A 1 22 ? 0.743 0.493 6.542 1.00 0.00 ? 22 LYS A HA 29 ATOM 40078 H HB2 . LYS A 1 22 ? -1.147 -0.453 7.708 1.00 0.00 ? 22 LYS A HB2 29 ATOM 40079 H HB3 . LYS A 1 22 ? -0.838 -2.039 7.014 1.00 0.00 ? 22 LYS A HB3 29 ATOM 40080 H HG2 . LYS A 1 22 ? 1.424 -1.903 8.218 1.00 0.00 ? 22 LYS A HG2 29 ATOM 40081 H HG3 . LYS A 1 22 ? 0.692 -0.588 9.139 1.00 0.00 ? 22 LYS A HG3 29 ATOM 40082 H HD2 . LYS A 1 22 ? 0.136 -2.338 10.492 1.00 0.00 ? 22 LYS A HD2 29 ATOM 40083 H HD3 . LYS A 1 22 ? -1.257 -2.365 9.410 1.00 0.00 ? 22 LYS A HD3 29 ATOM 40084 H HE2 . LYS A 1 22 ? -0.749 -4.424 8.755 1.00 0.00 ? 22 LYS A HE2 29 ATOM 40085 H HE3 . LYS A 1 22 ? 0.856 -3.894 8.250 1.00 0.00 ? 22 LYS A HE3 29 ATOM 40086 H HZ1 . LYS A 1 22 ? 0.837 -4.088 11.040 1.00 0.00 ? 22 LYS A HZ1 29 ATOM 40087 H HZ2 . LYS A 1 22 ? 0.170 -5.516 10.425 1.00 0.00 ? 22 LYS A HZ2 29 ATOM 40088 H HZ3 . LYS A 1 22 ? 1.711 -5.022 9.933 1.00 0.00 ? 22 LYS A HZ3 29 ATOM 40089 N N . GLU A 1 23 ? 1.337 -2.463 5.203 1.00 0.00 ? 23 GLU A N 29 ATOM 40090 C CA . GLU A 1 23 ? 2.400 -3.368 4.784 1.00 0.00 ? 23 GLU A CA 29 ATOM 40091 C C . GLU A 1 23 ? 3.438 -2.628 3.946 1.00 0.00 ? 23 GLU A C 29 ATOM 40092 O O . GLU A 1 23 ? 4.645 -2.784 4.146 1.00 0.00 ? 23 GLU A O 29 ATOM 40093 C CB . GLU A 1 23 ? 1.821 -4.538 3.985 1.00 0.00 ? 23 GLU A CB 29 ATOM 40094 C CG . GLU A 1 23 ? 2.446 -5.878 4.330 1.00 0.00 ? 23 GLU A CG 29 ATOM 40095 C CD . GLU A 1 23 ? 2.817 -6.684 3.101 1.00 0.00 ? 23 GLU A CD 29 ATOM 40096 O OE1 . GLU A 1 23 ? 3.568 -6.158 2.251 1.00 0.00 ? 23 GLU A OE1 29 ATOM 40097 O OE2 . GLU A 1 23 ? 2.356 -7.839 2.985 1.00 0.00 ? 23 GLU A OE2 29 ATOM 40098 H H . GLU A 1 23 ? 0.404 -2.690 4.995 1.00 0.00 ? 23 GLU A H 29 ATOM 40099 H HA . GLU A 1 23 ? 2.879 -3.751 5.672 1.00 0.00 ? 23 GLU A HA 29 ATOM 40100 H HB2 . GLU A 1 23 ? 0.760 -4.599 4.178 1.00 0.00 ? 23 GLU A HB2 29 ATOM 40101 H HB3 . GLU A 1 23 ? 1.977 -4.352 2.933 1.00 0.00 ? 23 GLU A HB3 29 ATOM 40102 H HG2 . GLU A 1 23 ? 3.340 -5.706 4.911 1.00 0.00 ? 23 GLU A HG2 29 ATOM 40103 H HG3 . GLU A 1 23 ? 1.742 -6.449 4.918 1.00 0.00 ? 23 GLU A HG3 29 ATOM 40104 N N . ILE A 1 24 ? 2.962 -1.811 3.009 1.00 0.00 ? 24 ILE A N 29 ATOM 40105 C CA . ILE A 1 24 ? 3.863 -1.046 2.154 1.00 0.00 ? 24 ILE A CA 29 ATOM 40106 C C . ILE A 1 24 ? 4.707 -0.101 3.009 1.00 0.00 ? 24 ILE A C 29 ATOM 40107 O O . ILE A 1 24 ? 5.862 0.180 2.691 1.00 0.00 ? 24 ILE A O 29 ATOM 40108 C CB . ILE A 1 24 ? 3.107 -0.264 1.026 1.00 0.00 ? 24 ILE A CB 29 ATOM 40109 C CG1 . ILE A 1 24 ? 2.793 1.187 1.420 1.00 0.00 ? 24 ILE A CG1 29 ATOM 40110 C CG2 . ILE A 1 24 ? 1.825 -0.981 0.634 1.00 0.00 ? 24 ILE A CG2 29 ATOM 40111 C CD1 . ILE A 1 24 ? 3.827 2.173 0.923 1.00 0.00 ? 24 ILE A CD1 29 ATOM 40112 H H . ILE A 1 24 ? 1.993 -1.718 2.902 1.00 0.00 ? 24 ILE A H 29 ATOM 40113 H HA . ILE A 1 24 ? 4.529 -1.755 1.678 1.00 0.00 ? 24 ILE A HA 29 ATOM 40114 H HB . ILE A 1 24 ? 3.749 -0.253 0.156 1.00 0.00 ? 24 ILE A HB 29 ATOM 40115 H HG12 . ILE A 1 24 ? 1.838 1.469 1.004 1.00 0.00 ? 24 ILE A HG12 29 ATOM 40116 H HG13 . ILE A 1 24 ? 2.750 1.262 2.497 1.00 0.00 ? 24 ILE A HG13 29 ATOM 40117 H HG21 . ILE A 1 24 ? 1.947 -2.043 0.776 1.00 0.00 ? 24 ILE A HG21 29 ATOM 40118 H HG22 . ILE A 1 24 ? 1.012 -0.626 1.251 1.00 0.00 ? 24 ILE A HG22 29 ATOM 40119 H HG23 . ILE A 1 24 ? 1.603 -0.778 -0.402 1.00 0.00 ? 24 ILE A HG23 29 ATOM 40120 H HD11 . ILE A 1 24 ? 4.616 1.638 0.409 1.00 0.00 ? 24 ILE A HD11 29 ATOM 40121 H HD12 . ILE A 1 24 ? 3.362 2.871 0.243 1.00 0.00 ? 24 ILE A HD12 29 ATOM 40122 H HD13 . ILE A 1 24 ? 4.245 2.711 1.762 1.00 0.00 ? 24 ILE A HD13 29 ATOM 40123 N N . GLU A 1 25 ? 4.114 0.375 4.102 1.00 0.00 ? 25 GLU A N 29 ATOM 40124 C CA . GLU A 1 25 ? 4.801 1.276 5.016 1.00 0.00 ? 25 GLU A CA 29 ATOM 40125 C C . GLU A 1 25 ? 6.053 0.609 5.567 1.00 0.00 ? 25 GLU A C 29 ATOM 40126 O O . GLU A 1 25 ? 7.121 1.216 5.621 1.00 0.00 ? 25 GLU A O 29 ATOM 40127 C CB . GLU A 1 25 ? 3.874 1.683 6.163 1.00 0.00 ? 25 GLU A CB 29 ATOM 40128 C CG . GLU A 1 25 ? 4.211 3.037 6.766 1.00 0.00 ? 25 GLU A CG 29 ATOM 40129 C CD . GLU A 1 25 ? 4.164 3.028 8.281 1.00 0.00 ? 25 GLU A CD 29 ATOM 40130 O OE1 . GLU A 1 25 ? 4.799 2.141 8.890 1.00 0.00 ? 25 GLU A OE1 29 ATOM 40131 O OE2 . GLU A 1 25 ? 3.491 3.908 8.859 1.00 0.00 ? 25 GLU A OE2 29 ATOM 40132 H H . GLU A 1 25 ? 3.194 0.105 4.300 1.00 0.00 ? 25 GLU A H 29 ATOM 40133 H HA . GLU A 1 25 ? 5.087 2.157 4.462 1.00 0.00 ? 25 GLU A HA 29 ATOM 40134 H HB2 . GLU A 1 25 ? 2.859 1.719 5.795 1.00 0.00 ? 25 GLU A HB2 29 ATOM 40135 H HB3 . GLU A 1 25 ? 3.939 0.939 6.944 1.00 0.00 ? 25 GLU A HB3 29 ATOM 40136 H HG2 . GLU A 1 25 ? 5.206 3.318 6.454 1.00 0.00 ? 25 GLU A HG2 29 ATOM 40137 H HG3 . GLU A 1 25 ? 3.501 3.765 6.402 1.00 0.00 ? 25 GLU A HG3 29 ATOM 40138 N N . ARG A 1 26 ? 5.919 -0.650 5.964 1.00 0.00 ? 26 ARG A N 29 ATOM 40139 C CA . ARG A 1 26 ? 7.048 -1.398 6.493 1.00 0.00 ? 26 ARG A CA 29 ATOM 40140 C C . ARG A 1 26 ? 8.143 -1.503 5.439 1.00 0.00 ? 26 ARG A C 29 ATOM 40141 O O . ARG A 1 26 ? 9.336 -1.419 5.747 1.00 0.00 ? 26 ARG A O 29 ATOM 40142 C CB . ARG A 1 26 ? 6.606 -2.795 6.934 1.00 0.00 ? 26 ARG A CB 29 ATOM 40143 C CG . ARG A 1 26 ? 7.748 -3.665 7.434 1.00 0.00 ? 26 ARG A CG 29 ATOM 40144 C CD . ARG A 1 26 ? 7.290 -5.092 7.691 1.00 0.00 ? 26 ARG A CD 29 ATOM 40145 N NE . ARG A 1 26 ? 7.698 -5.998 6.621 1.00 0.00 ? 26 ARG A NE 29 ATOM 40146 C CZ . ARG A 1 26 ? 8.926 -6.494 6.505 1.00 0.00 ? 26 ARG A CZ 29 ATOM 40147 N NH1 . ARG A 1 26 ? 9.860 -6.172 7.390 1.00 0.00 ? 26 ARG A NH1 29 ATOM 40148 N NH2 . ARG A 1 26 ? 9.220 -7.313 5.504 1.00 0.00 ? 26 ARG A NH2 29 ATOM 40149 H H . ARG A 1 26 ? 5.045 -1.088 5.888 1.00 0.00 ? 26 ARG A H 29 ATOM 40150 H HA . ARG A 1 26 ? 7.434 -0.862 7.347 1.00 0.00 ? 26 ARG A HA 29 ATOM 40151 H HB2 . ARG A 1 26 ? 5.882 -2.698 7.729 1.00 0.00 ? 26 ARG A HB2 29 ATOM 40152 H HB3 . ARG A 1 26 ? 6.143 -3.294 6.095 1.00 0.00 ? 26 ARG A HB3 29 ATOM 40153 H HG2 . ARG A 1 26 ? 8.531 -3.678 6.691 1.00 0.00 ? 26 ARG A HG2 29 ATOM 40154 H HG3 . ARG A 1 26 ? 8.129 -3.248 8.354 1.00 0.00 ? 26 ARG A HG3 29 ATOM 40155 H HD2 . ARG A 1 26 ? 7.719 -5.433 8.621 1.00 0.00 ? 26 ARG A HD2 29 ATOM 40156 H HD3 . ARG A 1 26 ? 6.212 -5.102 7.766 1.00 0.00 ? 26 ARG A HD3 29 ATOM 40157 H HE . ARG A 1 26 ? 7.024 -6.249 5.956 1.00 0.00 ? 26 ARG A HE 29 ATOM 40158 H HH11 . ARG A 1 26 ? 9.641 -5.555 8.146 1.00 0.00 ? 26 ARG A HH11 29 ATOM 40159 H HH12 . ARG A 1 26 ? 10.783 -6.547 7.300 1.00 0.00 ? 26 ARG A HH12 29 ATOM 40160 H HH21 . ARG A 1 26 ? 8.519 -7.558 4.836 1.00 0.00 ? 26 ARG A HH21 29 ATOM 40161 H HH22 . ARG A 1 26 ? 10.144 -7.685 5.419 1.00 0.00 ? 26 ARG A HH22 29 ATOM 40162 N N . HIS A 1 27 ? 7.728 -1.675 4.186 1.00 0.00 ? 27 HIS A N 29 ATOM 40163 C CA . HIS A 1 27 ? 8.670 -1.782 3.085 1.00 0.00 ? 27 HIS A CA 29 ATOM 40164 C C . HIS A 1 27 ? 9.328 -0.434 2.809 1.00 0.00 ? 27 HIS A C 29 ATOM 40165 O O . HIS A 1 27 ? 10.424 -0.373 2.249 1.00 0.00 ? 27 HIS A O 29 ATOM 40166 C CB . HIS A 1 27 ? 7.960 -2.292 1.830 1.00 0.00 ? 27 HIS A CB 29 ATOM 40167 C CG . HIS A 1 27 ? 8.470 -3.616 1.353 1.00 0.00 ? 27 HIS A CG 29 ATOM 40168 N ND1 . HIS A 1 27 ? 9.684 -3.771 0.715 1.00 0.00 ? 27 HIS A ND1 29 ATOM 40169 C CD2 . HIS A 1 27 ? 7.925 -4.853 1.426 1.00 0.00 ? 27 HIS A CD2 29 ATOM 40170 C CE1 . HIS A 1 27 ? 9.862 -5.045 0.416 1.00 0.00 ? 27 HIS A CE1 29 ATOM 40171 N NE2 . HIS A 1 27 ? 8.810 -5.722 0.837 1.00 0.00 ? 27 HIS A NE2 29 ATOM 40172 H H . HIS A 1 27 ? 6.765 -1.724 3.997 1.00 0.00 ? 27 HIS A H 29 ATOM 40173 H HA . HIS A 1 27 ? 9.433 -2.490 3.369 1.00 0.00 ? 27 HIS A HA 29 ATOM 40174 H HB2 . HIS A 1 27 ? 6.907 -2.398 2.039 1.00 0.00 ? 27 HIS A HB2 29 ATOM 40175 H HB3 . HIS A 1 27 ? 8.093 -1.576 1.034 1.00 0.00 ? 27 HIS A HB3 29 ATOM 40176 H HD1 . HIS A 1 27 ? 10.320 -3.053 0.513 1.00 0.00 ? 27 HIS A HD1 29 ATOM 40177 H HD2 . HIS A 1 27 ? 6.971 -5.109 1.866 1.00 0.00 ? 27 HIS A HD2 29 ATOM 40178 H HE1 . HIS A 1 27 ? 10.723 -5.462 -0.085 1.00 0.00 ? 27 HIS A HE1 29 ATOM 40179 H HE2 . HIS A 1 27 ? 8.683 -6.689 0.743 1.00 0.00 ? 27 HIS A HE2 29 ATOM 40180 N N . LYS A 1 28 ? 8.659 0.647 3.207 1.00 0.00 ? 28 LYS A N 29 ATOM 40181 C CA . LYS A 1 28 ? 9.194 1.986 2.999 1.00 0.00 ? 28 LYS A CA 29 ATOM 40182 C C . LYS A 1 28 ? 10.266 2.302 4.039 1.00 0.00 ? 28 LYS A C 29 ATOM 40183 O O . LYS A 1 28 ? 11.179 3.088 3.788 1.00 0.00 ? 28 LYS A O 29 ATOM 40184 C CB . LYS A 1 28 ? 8.069 3.036 3.024 1.00 0.00 ? 28 LYS A CB 29 ATOM 40185 C CG . LYS A 1 28 ? 7.678 3.532 4.413 1.00 0.00 ? 28 LYS A CG 29 ATOM 40186 C CD . LYS A 1 28 ? 7.927 5.024 4.561 1.00 0.00 ? 28 LYS A CD 29 ATOM 40187 C CE . LYS A 1 28 ? 7.540 5.519 5.946 1.00 0.00 ? 28 LYS A CE 29 ATOM 40188 N NZ . LYS A 1 28 ? 6.612 6.682 5.880 1.00 0.00 ? 28 LYS A NZ 29 ATOM 40189 H H . LYS A 1 28 ? 7.792 0.540 3.651 1.00 0.00 ? 28 LYS A H 29 ATOM 40190 H HA . LYS A 1 28 ? 9.655 1.997 2.027 1.00 0.00 ? 28 LYS A HA 29 ATOM 40191 H HB2 . LYS A 1 28 ? 8.382 3.890 2.445 1.00 0.00 ? 28 LYS A HB2 29 ATOM 40192 H HB3 . LYS A 1 28 ? 7.191 2.608 2.562 1.00 0.00 ? 28 LYS A HB3 29 ATOM 40193 H HG2 . LYS A 1 28 ? 6.628 3.338 4.572 1.00 0.00 ? 28 LYS A HG2 29 ATOM 40194 H HG3 . LYS A 1 28 ? 8.257 3.005 5.155 1.00 0.00 ? 28 LYS A HG3 29 ATOM 40195 H HD2 . LYS A 1 28 ? 8.977 5.221 4.401 1.00 0.00 ? 28 LYS A HD2 29 ATOM 40196 H HD3 . LYS A 1 28 ? 7.342 5.551 3.823 1.00 0.00 ? 28 LYS A HD3 29 ATOM 40197 H HE2 . LYS A 1 28 ? 7.057 4.714 6.480 1.00 0.00 ? 28 LYS A HE2 29 ATOM 40198 H HE3 . LYS A 1 28 ? 8.436 5.812 6.473 1.00 0.00 ? 28 LYS A HE3 29 ATOM 40199 H HZ1 . LYS A 1 28 ? 7.018 7.430 5.283 1.00 0.00 ? 28 LYS A HZ1 29 ATOM 40200 H HZ2 . LYS A 1 28 ? 5.699 6.389 5.477 1.00 0.00 ? 28 LYS A HZ2 29 ATOM 40201 H HZ3 . LYS A 1 28 ? 6.450 7.063 6.834 1.00 0.00 ? 28 LYS A HZ3 29 ATOM 40202 N N . GLN A 1 29 ? 10.147 1.674 5.204 1.00 0.00 ? 29 GLN A N 29 ATOM 40203 C CA . GLN A 1 29 ? 11.107 1.875 6.280 1.00 0.00 ? 29 GLN A CA 29 ATOM 40204 C C . GLN A 1 29 ? 12.425 1.188 5.946 1.00 0.00 ? 29 GLN A C 29 ATOM 40205 O O . GLN A 1 29 ? 13.500 1.755 6.140 1.00 0.00 ? 29 GLN A O 29 ATOM 40206 C CB . GLN A 1 29 ? 10.553 1.334 7.599 1.00 0.00 ? 29 GLN A CB 29 ATOM 40207 C CG . GLN A 1 29 ? 11.451 1.608 8.794 1.00 0.00 ? 29 GLN A CG 29 ATOM 40208 C CD . GLN A 1 29 ? 10.915 1.006 10.078 1.00 0.00 ? 29 GLN A CD 29 ATOM 40209 O OE1 . GLN A 1 29 ? 10.652 1.715 11.048 1.00 0.00 ? 29 GLN A OE1 29 ATOM 40210 N NE2 . GLN A 1 29 ? 10.749 -0.312 10.088 1.00 0.00 ? 29 GLN A NE2 29 ATOM 40211 H H . GLN A 1 29 ? 9.399 1.055 5.340 1.00 0.00 ? 29 GLN A H 29 ATOM 40212 H HA . GLN A 1 29 ? 11.281 2.937 6.377 1.00 0.00 ? 29 GLN A HA 29 ATOM 40213 H HB2 . GLN A 1 29 ? 9.592 1.790 7.787 1.00 0.00 ? 29 GLN A HB2 29 ATOM 40214 H HB3 . GLN A 1 29 ? 10.424 0.266 7.511 1.00 0.00 ? 29 GLN A HB3 29 ATOM 40215 H HG2 . GLN A 1 29 ? 12.427 1.190 8.599 1.00 0.00 ? 29 GLN A HG2 29 ATOM 40216 H HG3 . GLN A 1 29 ? 11.538 2.677 8.925 1.00 0.00 ? 29 GLN A HG3 29 ATOM 40217 H HE21 . GLN A 1 29 ? 10.979 -0.815 9.278 1.00 0.00 ? 29 GLN A HE21 29 ATOM 40218 H HE22 . GLN A 1 29 ? 10.404 -0.728 10.905 1.00 0.00 ? 29 GLN A HE22 29 ATOM 40219 N N . SER A 1 30 ? 12.331 -0.036 5.434 1.00 0.00 ? 30 SER A N 29 ATOM 40220 C CA . SER A 1 30 ? 13.518 -0.799 5.065 1.00 0.00 ? 30 SER A CA 29 ATOM 40221 C C . SER A 1 30 ? 14.242 -0.140 3.893 1.00 0.00 ? 30 SER A C 29 ATOM 40222 O O . SER A 1 30 ? 15.460 0.040 3.924 1.00 0.00 ? 30 SER A O 29 ATOM 40223 C CB . SER A 1 30 ? 13.136 -2.235 4.703 1.00 0.00 ? 30 SER A CB 29 ATOM 40224 O OG . SER A 1 30 ? 12.379 -2.275 3.505 1.00 0.00 ? 30 SER A OG 29 ATOM 40225 H H . SER A 1 30 ? 11.443 -0.434 5.300 1.00 0.00 ? 30 SER A H 29 ATOM 40226 H HA . SER A 1 30 ? 14.181 -0.816 5.918 1.00 0.00 ? 30 SER A HA 29 ATOM 40227 H HB2 . SER A 1 30 ? 14.033 -2.821 4.565 1.00 0.00 ? 30 SER A HB2 29 ATOM 40228 H HB3 . SER A 1 30 ? 12.546 -2.660 5.501 1.00 0.00 ? 30 SER A HB3 29 ATOM 40229 H HG . SER A 1 30 ? 12.204 -3.188 3.266 1.00 0.00 ? 30 SER A HG 29 ATOM 40230 N N . ILE A 1 31 ? 13.483 0.217 2.862 1.00 0.00 ? 31 ILE A N 29 ATOM 40231 C CA . ILE A 1 31 ? 14.048 0.859 1.678 1.00 0.00 ? 31 ILE A CA 29 ATOM 40232 C C . ILE A 1 31 ? 14.514 2.276 1.992 1.00 0.00 ? 31 ILE A C 29 ATOM 40233 O O . ILE A 1 31 ? 15.392 2.816 1.319 1.00 0.00 ? 31 ILE A O 29 ATOM 40234 C CB . ILE A 1 31 ? 13.023 0.905 0.530 1.00 0.00 ? 31 ILE A CB 29 ATOM 40235 C CG1 . ILE A 1 31 ? 13.613 1.569 -0.712 1.00 0.00 ? 31 ILE A CG1 29 ATOM 40236 C CG2 . ILE A 1 31 ? 11.775 1.652 0.966 1.00 0.00 ? 31 ILE A CG2 29 ATOM 40237 C CD1 . ILE A 1 31 ? 14.611 0.707 -1.443 1.00 0.00 ? 31 ILE A CD1 29 ATOM 40238 H H . ILE A 1 31 ? 12.517 0.048 2.898 1.00 0.00 ? 31 ILE A H 29 ATOM 40239 H HA . ILE A 1 31 ? 14.897 0.274 1.353 1.00 0.00 ? 31 ILE A HA 29 ATOM 40240 H HB . ILE A 1 31 ? 12.745 -0.112 0.288 1.00 0.00 ? 31 ILE A HB 29 ATOM 40241 H HG12 . ILE A 1 31 ? 12.811 1.798 -1.401 1.00 0.00 ? 31 ILE A HG12 29 ATOM 40242 H HG13 . ILE A 1 31 ? 14.108 2.484 -0.425 1.00 0.00 ? 31 ILE A HG13 29 ATOM 40243 H HG21 . ILE A 1 31 ? 11.587 1.466 2.012 1.00 0.00 ? 31 ILE A HG21 29 ATOM 40244 H HG22 . ILE A 1 31 ? 11.919 2.711 0.810 1.00 0.00 ? 31 ILE A HG22 29 ATOM 40245 H HG23 . ILE A 1 31 ? 10.933 1.315 0.385 1.00 0.00 ? 31 ILE A HG23 29 ATOM 40246 H HD11 . ILE A 1 31 ? 15.258 0.219 -0.730 1.00 0.00 ? 31 ILE A HD11 29 ATOM 40247 H HD12 . ILE A 1 31 ? 14.083 -0.039 -2.019 1.00 0.00 ? 31 ILE A HD12 29 ATOM 40248 H HD13 . ILE A 1 31 ? 15.202 1.321 -2.105 1.00 0.00 ? 31 ILE A HD13 29 ATOM 40249 N N . LYS A 1 32 ? 13.922 2.873 3.021 1.00 0.00 ? 32 LYS A N 29 ATOM 40250 C CA . LYS A 1 32 ? 14.279 4.226 3.429 1.00 0.00 ? 32 LYS A CA 29 ATOM 40251 C C . LYS A 1 32 ? 15.570 4.223 4.239 1.00 0.00 ? 32 LYS A C 29 ATOM 40252 O O . LYS A 1 32 ? 16.292 5.219 4.280 1.00 0.00 ? 32 LYS A O 29 ATOM 40253 C CB . LYS A 1 32 ? 13.148 4.852 4.248 1.00 0.00 ? 32 LYS A CB 29 ATOM 40254 C CG . LYS A 1 32 ? 13.501 6.210 4.833 1.00 0.00 ? 32 LYS A CG 29 ATOM 40255 C CD . LYS A 1 32 ? 12.362 7.202 4.664 1.00 0.00 ? 32 LYS A CD 29 ATOM 40256 C CE . LYS A 1 32 ? 12.102 7.505 3.198 1.00 0.00 ? 32 LYS A CE 29 ATOM 40257 N NZ . LYS A 1 32 ? 11.105 8.598 3.025 1.00 0.00 ? 32 LYS A NZ 29 ATOM 40258 H H . LYS A 1 32 ? 13.232 2.390 3.522 1.00 0.00 ? 32 LYS A H 29 ATOM 40259 H HA . LYS A 1 32 ? 14.431 4.812 2.534 1.00 0.00 ? 32 LYS A HA 29 ATOM 40260 H HB2 . LYS A 1 32 ? 12.282 4.970 3.614 1.00 0.00 ? 32 LYS A HB2 29 ATOM 40261 H HB3 . LYS A 1 32 ? 12.900 4.187 5.062 1.00 0.00 ? 32 LYS A HB3 29 ATOM 40262 H HG2 . LYS A 1 32 ? 13.711 6.094 5.886 1.00 0.00 ? 32 LYS A HG2 29 ATOM 40263 H HG3 . LYS A 1 32 ? 14.376 6.591 4.329 1.00 0.00 ? 32 LYS A HG3 29 ATOM 40264 H HD2 . LYS A 1 32 ? 11.465 6.784 5.098 1.00 0.00 ? 32 LYS A HD2 29 ATOM 40265 H HD3 . LYS A 1 32 ? 12.617 8.119 5.173 1.00 0.00 ? 32 LYS A HD3 29 ATOM 40266 H HE2 . LYS A 1 32 ? 13.031 7.802 2.734 1.00 0.00 ? 32 LYS A HE2 29 ATOM 40267 H HE3 . LYS A 1 32 ? 11.731 6.612 2.718 1.00 0.00 ? 32 LYS A HE3 29 ATOM 40268 H HZ1 . LYS A 1 32 ? 11.337 9.395 3.651 1.00 0.00 ? 32 LYS A HZ1 29 ATOM 40269 H HZ2 . LYS A 1 32 ? 11.108 8.932 2.040 1.00 0.00 ? 32 LYS A HZ2 29 ATOM 40270 H HZ3 . LYS A 1 32 ? 10.153 8.254 3.259 1.00 0.00 ? 32 LYS A HZ3 29 ATOM 40271 N N . LYS A 1 33 ? 15.857 3.094 4.879 1.00 0.00 ? 33 LYS A N 29 ATOM 40272 C CA . LYS A 1 33 ? 17.065 2.959 5.683 1.00 0.00 ? 33 LYS A CA 29 ATOM 40273 C C . LYS A 1 33 ? 18.282 2.754 4.789 1.00 0.00 ? 33 LYS A C 29 ATOM 40274 O O . LYS A 1 33 ? 19.336 3.350 5.010 1.00 0.00 ? 33 LYS A O 29 ATOM 40275 C CB . LYS A 1 33 ? 16.929 1.787 6.657 1.00 0.00 ? 33 LYS A CB 29 ATOM 40276 C CG . LYS A 1 33 ? 16.112 2.117 7.895 1.00 0.00 ? 33 LYS A CG 29 ATOM 40277 C CD . LYS A 1 33 ? 16.628 1.375 9.117 1.00 0.00 ? 33 LYS A CD 29 ATOM 40278 C CE . LYS A 1 33 ? 15.582 0.424 9.675 1.00 0.00 ? 33 LYS A CE 29 ATOM 40279 N NZ . LYS A 1 33 ? 15.557 0.437 11.164 1.00 0.00 ? 33 LYS A NZ 29 ATOM 40280 H H . LYS A 1 33 ? 15.245 2.332 4.807 1.00 0.00 ? 33 LYS A H 29 ATOM 40281 H HA . LYS A 1 33 ? 17.194 3.871 6.245 1.00 0.00 ? 33 LYS A HA 29 ATOM 40282 H HB2 . LYS A 1 33 ? 16.453 0.963 6.146 1.00 0.00 ? 33 LYS A HB2 29 ATOM 40283 H HB3 . LYS A 1 33 ? 17.915 1.481 6.974 1.00 0.00 ? 33 LYS A HB3 29 ATOM 40284 H HG2 . LYS A 1 33 ? 16.169 3.179 8.081 1.00 0.00 ? 33 LYS A HG2 29 ATOM 40285 H HG3 . LYS A 1 33 ? 15.084 1.835 7.721 1.00 0.00 ? 33 LYS A HG3 29 ATOM 40286 H HD2 . LYS A 1 33 ? 17.503 0.807 8.839 1.00 0.00 ? 33 LYS A HD2 29 ATOM 40287 H HD3 . LYS A 1 33 ? 16.891 2.095 9.879 1.00 0.00 ? 33 LYS A HD3 29 ATOM 40288 H HE2 . LYS A 1 33 ? 14.611 0.720 9.306 1.00 0.00 ? 33 LYS A HE2 29 ATOM 40289 H HE3 . LYS A 1 33 ? 15.805 -0.577 9.335 1.00 0.00 ? 33 LYS A HE3 29 ATOM 40290 H HZ1 . LYS A 1 33 ? 16.512 0.614 11.535 1.00 0.00 ? 33 LYS A HZ1 29 ATOM 40291 H HZ2 . LYS A 1 33 ? 14.921 1.186 11.505 1.00 0.00 ? 33 LYS A HZ2 29 ATOM 40292 H HZ3 . LYS A 1 33 ? 15.220 -0.479 11.523 1.00 0.00 ? 33 LYS A HZ3 29 ATOM 40293 N N . LEU A 1 34 ? 18.128 1.910 3.774 1.00 0.00 ? 34 LEU A N 29 ATOM 40294 C CA . LEU A 1 34 ? 19.212 1.629 2.842 1.00 0.00 ? 34 LEU A CA 29 ATOM 40295 C C . LEU A 1 34 ? 19.498 2.844 1.966 1.00 0.00 ? 34 LEU A C 29 ATOM 40296 O O . LEU A 1 34 ? 20.647 3.110 1.611 1.00 0.00 ? 34 LEU A O 29 ATOM 40297 C CB . LEU A 1 34 ? 18.864 0.423 1.967 1.00 0.00 ? 34 LEU A CB 29 ATOM 40298 C CG . LEU A 1 34 ? 19.605 -0.868 2.321 1.00 0.00 ? 34 LEU A CG 29 ATOM 40299 C CD1 . LEU A 1 34 ? 18.882 -2.074 1.740 1.00 0.00 ? 34 LEU A CD1 29 ATOM 40300 C CD2 . LEU A 1 34 ? 21.039 -0.812 1.822 1.00 0.00 ? 34 LEU A CD2 29 ATOM 40301 H H . LEU A 1 34 ? 17.261 1.467 3.647 1.00 0.00 ? 34 LEU A H 29 ATOM 40302 H HA . LEU A 1 34 ? 20.095 1.402 3.420 1.00 0.00 ? 34 LEU A HA 29 ATOM 40303 H HB2 . LEU A 1 34 ? 17.803 0.240 2.049 1.00 0.00 ? 34 LEU A HB2 29 ATOM 40304 H HB3 . LEU A 1 34 ? 19.091 0.671 0.941 1.00 0.00 ? 34 LEU A HB3 29 ATOM 40305 H HG . LEU A 1 34 ? 19.627 -0.978 3.396 1.00 0.00 ? 34 LEU A HG 29 ATOM 40306 H HD11 . LEU A 1 34 ? 18.722 -1.922 0.683 1.00 0.00 ? 34 LEU A HD11 29 ATOM 40307 H HD12 . LEU A 1 34 ? 19.482 -2.959 1.890 1.00 0.00 ? 34 LEU A HD12 29 ATOM 40308 H HD13 . LEU A 1 34 ? 17.930 -2.196 2.235 1.00 0.00 ? 34 LEU A HD13 29 ATOM 40309 H HD21 . LEU A 1 34 ? 21.283 0.201 1.538 1.00 0.00 ? 34 LEU A HD21 29 ATOM 40310 H HD22 . LEU A 1 34 ? 21.707 -1.137 2.607 1.00 0.00 ? 34 LEU A HD22 29 ATOM 40311 H HD23 . LEU A 1 34 ? 21.149 -1.461 0.965 1.00 0.00 ? 34 LEU A HD23 29 ATOM 40312 N N . LYS A 1 35 ? 18.446 3.581 1.623 1.00 0.00 ? 35 LYS A N 29 ATOM 40313 C CA . LYS A 1 35 ? 18.586 4.771 0.792 1.00 0.00 ? 35 LYS A CA 29 ATOM 40314 C C . LYS A 1 35 ? 19.196 5.917 1.592 1.00 0.00 ? 35 LYS A C 29 ATOM 40315 O O . LYS A 1 35 ? 19.979 6.707 1.067 1.00 0.00 ? 35 LYS A O 29 ATOM 40316 C CB . LYS A 1 35 ? 17.227 5.191 0.231 1.00 0.00 ? 35 LYS A CB 29 ATOM 40317 C CG . LYS A 1 35 ? 16.835 4.448 -1.035 1.00 0.00 ? 35 LYS A CG 29 ATOM 40318 C CD . LYS A 1 35 ? 15.779 5.208 -1.821 1.00 0.00 ? 35 LYS A CD 29 ATOM 40319 C CE . LYS A 1 35 ? 14.908 4.268 -2.638 1.00 0.00 ? 35 LYS A CE 29 ATOM 40320 N NZ . LYS A 1 35 ? 15.311 4.241 -4.072 1.00 0.00 ? 35 LYS A NZ 29 ATOM 40321 H H . LYS A 1 35 ? 17.555 3.320 1.939 1.00 0.00 ? 35 LYS A H 29 ATOM 40322 H HA . LYS A 1 35 ? 19.246 4.528 -0.027 1.00 0.00 ? 35 LYS A HA 29 ATOM 40323 H HB2 . LYS A 1 35 ? 16.470 5.009 0.979 1.00 0.00 ? 35 LYS A HB2 29 ATOM 40324 H HB3 . LYS A 1 35 ? 17.254 6.248 0.008 1.00 0.00 ? 35 LYS A HB3 29 ATOM 40325 H HG2 . LYS A 1 35 ? 17.711 4.323 -1.654 1.00 0.00 ? 35 LYS A HG2 29 ATOM 40326 H HG3 . LYS A 1 35 ? 16.441 3.479 -0.764 1.00 0.00 ? 35 LYS A HG3 29 ATOM 40327 H HD2 . LYS A 1 35 ? 15.153 5.754 -1.131 1.00 0.00 ? 35 LYS A HD2 29 ATOM 40328 H HD3 . LYS A 1 35 ? 16.271 5.901 -2.489 1.00 0.00 ? 35 LYS A HD3 29 ATOM 40329 H HE2 . LYS A 1 35 ? 14.995 3.272 -2.231 1.00 0.00 ? 35 LYS A HE2 29 ATOM 40330 H HE3 . LYS A 1 35 ? 13.882 4.597 -2.568 1.00 0.00 ? 35 LYS A HE3 29 ATOM 40331 H HZ1 . LYS A 1 35 ? 16.339 4.101 -4.151 1.00 0.00 ? 35 LYS A HZ1 29 ATOM 40332 H HZ2 . LYS A 1 35 ? 14.828 3.463 -4.564 1.00 0.00 ? 35 LYS A HZ2 29 ATOM 40333 H HZ3 . LYS A 1 35 ? 15.058 5.139 -4.531 1.00 0.00 ? 35 LYS A HZ3 29 ATOM 40334 N N . GLN A 1 36 ? 18.831 5.997 2.867 1.00 0.00 ? 36 GLN A N 29 ATOM 40335 C CA . GLN A 1 36 ? 19.342 7.044 3.743 1.00 0.00 ? 36 GLN A CA 29 ATOM 40336 C C . GLN A 1 36 ? 20.821 6.825 4.038 1.00 0.00 ? 36 GLN A C 29 ATOM 40337 O O . GLN A 1 36 ? 21.563 7.776 4.285 1.00 0.00 ? 36 GLN A O 29 ATOM 40338 C CB . GLN A 1 36 ? 18.548 7.077 5.051 1.00 0.00 ? 36 GLN A CB 29 ATOM 40339 C CG . GLN A 1 36 ? 18.811 8.317 5.890 1.00 0.00 ? 36 GLN A CG 29 ATOM 40340 C CD . GLN A 1 36 ? 17.809 8.483 7.015 1.00 0.00 ? 36 GLN A CD 29 ATOM 40341 O OE1 . GLN A 1 36 ? 18.132 8.274 8.185 1.00 0.00 ? 36 GLN A OE1 29 ATOM 40342 N NE2 . GLN A 1 36 ? 16.585 8.860 6.667 1.00 0.00 ? 36 GLN A NE2 29 ATOM 40343 H H . GLN A 1 36 ? 18.204 5.335 3.228 1.00 0.00 ? 36 GLN A H 29 ATOM 40344 H HA . GLN A 1 36 ? 19.223 7.988 3.236 1.00 0.00 ? 36 GLN A HA 29 ATOM 40345 H HB2 . GLN A 1 36 ? 17.494 7.042 4.820 1.00 0.00 ? 36 GLN A HB2 29 ATOM 40346 H HB3 . GLN A 1 36 ? 18.809 6.210 5.639 1.00 0.00 ? 36 GLN A HB3 29 ATOM 40347 H HG2 . GLN A 1 36 ? 19.801 8.245 6.317 1.00 0.00 ? 36 GLN A HG2 29 ATOM 40348 H HG3 . GLN A 1 36 ? 18.759 9.186 5.250 1.00 0.00 ? 36 GLN A HG3 29 ATOM 40349 H HE21 . GLN A 1 36 ? 16.399 9.008 5.716 1.00 0.00 ? 36 GLN A HE21 29 ATOM 40350 H HE22 . GLN A 1 36 ? 15.917 8.975 7.375 1.00 0.00 ? 36 GLN A HE22 29 ATOM 40351 N N . SER A 1 37 ? 21.245 5.566 4.009 1.00 0.00 ? 37 SER A N 29 ATOM 40352 C CA . SER A 1 37 ? 22.637 5.222 4.271 1.00 0.00 ? 37 SER A CA 29 ATOM 40353 C C . SER A 1 37 ? 23.537 5.699 3.136 1.00 0.00 ? 37 SER A C 29 ATOM 40354 O O . SER A 1 37 ? 24.725 5.950 3.334 1.00 0.00 ? 37 SER A O 29 ATOM 40355 C CB . SER A 1 37 ? 22.787 3.710 4.455 1.00 0.00 ? 37 SER A CB 29 ATOM 40356 O OG . SER A 1 37 ? 21.902 3.227 5.451 1.00 0.00 ? 37 SER A OG 29 ATOM 40357 H H . SER A 1 37 ? 20.606 4.850 3.806 1.00 0.00 ? 37 SER A H 29 ATOM 40358 H HA . SER A 1 37 ? 22.935 5.717 5.183 1.00 0.00 ? 37 SER A HA 29 ATOM 40359 H HB2 . SER A 1 37 ? 22.562 3.213 3.523 1.00 0.00 ? 37 SER A HB2 29 ATOM 40360 H HB3 . SER A 1 37 ? 23.801 3.483 4.749 1.00 0.00 ? 37 SER A HB3 29 ATOM 40361 H HG . SER A 1 37 ? 21.370 2.515 5.091 1.00 0.00 ? 37 SER A HG 29 ATOM 40362 N N . GLU A 1 38 ? 22.961 5.822 1.944 1.00 0.00 ? 38 GLU A N 29 ATOM 40363 C CA . GLU A 1 38 ? 23.711 6.270 0.776 1.00 0.00 ? 38 GLU A CA 29 ATOM 40364 C C . GLU A 1 38 ? 23.780 7.793 0.725 1.00 0.00 ? 38 GLU A C 29 ATOM 40365 O O . GLU A 1 38 ? 24.704 8.364 0.145 1.00 0.00 ? 38 GLU A O 29 ATOM 40366 C CB . GLU A 1 38 ? 23.068 5.735 -0.505 1.00 0.00 ? 38 GLU A CB 29 ATOM 40367 C CG . GLU A 1 38 ? 23.851 6.070 -1.764 1.00 0.00 ? 38 GLU A CG 29 ATOM 40368 C CD . GLU A 1 38 ? 22.983 6.679 -2.847 1.00 0.00 ? 38 GLU A CD 29 ATOM 40369 O OE1 . GLU A 1 38 ? 21.928 7.256 -2.507 1.00 0.00 ? 38 GLU A OE1 29 ATOM 40370 O OE2 . GLU A 1 38 ? 23.356 6.580 -4.034 1.00 0.00 ? 38 GLU A OE2 29 ATOM 40371 H H . GLU A 1 38 ? 22.009 5.607 1.848 1.00 0.00 ? 38 GLU A H 29 ATOM 40372 H HA . GLU A 1 38 ? 24.714 5.879 0.855 1.00 0.00 ? 38 GLU A HA 29 ATOM 40373 H HB2 . GLU A 1 38 ? 22.987 4.661 -0.432 1.00 0.00 ? 38 GLU A HB2 29 ATOM 40374 H HB3 . GLU A 1 38 ? 22.078 6.156 -0.601 1.00 0.00 ? 38 GLU A HB3 29 ATOM 40375 H HG2 . GLU A 1 38 ? 24.631 6.773 -1.512 1.00 0.00 ? 38 GLU A HG2 29 ATOM 40376 H HG3 . GLU A 1 38 ? 24.296 5.163 -2.148 1.00 0.00 ? 38 GLU A HG3 29 ATOM 40377 N N . ASP A 1 39 ? 22.797 8.446 1.336 1.00 0.00 ? 39 ASP A N 29 ATOM 40378 C CA . ASP A 1 39 ? 22.745 9.903 1.361 1.00 0.00 ? 39 ASP A CA 29 ATOM 40379 C C . ASP A 1 39 ? 23.560 10.460 2.524 1.00 0.00 ? 39 ASP A C 29 ATOM 40380 O O . ASP A 1 39 ? 24.003 11.608 2.490 1.00 0.00 ? 39 ASP A O 29 ATOM 40381 C CB . ASP A 1 39 ? 21.295 10.381 1.464 1.00 0.00 ? 39 ASP A CB 29 ATOM 40382 C CG . ASP A 1 39 ? 20.798 11.003 0.173 1.00 0.00 ? 39 ASP A CG 29 ATOM 40383 O OD1 . ASP A 1 39 ? 21.508 10.895 -0.848 1.00 0.00 ? 39 ASP A OD1 29 ATOM 40384 O OD2 . ASP A 1 39 ? 19.700 11.596 0.185 1.00 0.00 ? 39 ASP A OD2 29 ATOM 40385 H H . ASP A 1 39 ? 22.088 7.935 1.780 1.00 0.00 ? 39 ASP A H 29 ATOM 40386 H HA . ASP A 1 39 ? 23.168 10.265 0.436 1.00 0.00 ? 39 ASP A HA 29 ATOM 40387 H HB2 . ASP A 1 39 ? 20.662 9.540 1.703 1.00 0.00 ? 39 ASP A HB2 29 ATOM 40388 H HB3 . ASP A 1 39 ? 21.221 11.118 2.250 1.00 0.00 ? 39 ASP A HB3 29 ATOM 40389 N N . ASP A 1 40 ? 23.753 9.642 3.554 1.00 0.00 ? 40 ASP A N 29 ATOM 40390 C CA . ASP A 1 40 ? 24.514 10.056 4.728 1.00 0.00 ? 40 ASP A CA 29 ATOM 40391 C C . ASP A 1 40 ? 25.852 10.669 4.324 1.00 0.00 ? 40 ASP A C 29 ATOM 40392 O O . ASP A 1 40 ? 26.805 9.955 4.014 1.00 0.00 ? 40 ASP A O 29 ATOM 40393 C CB . ASP A 1 40 ? 24.749 8.862 5.656 1.00 0.00 ? 40 ASP A CB 29 ATOM 40394 C CG . ASP A 1 40 ? 24.493 9.203 7.111 1.00 0.00 ? 40 ASP A CG 29 ATOM 40395 O OD1 . ASP A 1 40 ? 23.500 9.907 7.391 1.00 0.00 ? 40 ASP A OD1 29 ATOM 40396 O OD2 . ASP A 1 40 ? 25.287 8.766 7.971 1.00 0.00 ? 40 ASP A OD2 29 ATOM 40397 H H . ASP A 1 40 ? 23.375 8.739 3.525 1.00 0.00 ? 40 ASP A H 29 ATOM 40398 H HA . ASP A 1 40 ? 23.935 10.800 5.253 1.00 0.00 ? 40 ASP A HA 29 ATOM 40399 H HB2 . ASP A 1 40 ? 24.085 8.059 5.373 1.00 0.00 ? 40 ASP A HB2 29 ATOM 40400 H HB3 . ASP A 1 40 ? 25.772 8.531 5.557 1.00 0.00 ? 40 ASP A HB3 29 ATOM 40401 N N . ASP A 1 41 ? 25.914 11.997 4.330 1.00 0.00 ? 41 ASP A N 29 ATOM 40402 C CA . ASP A 1 41 ? 27.134 12.706 3.964 1.00 0.00 ? 41 ASP A CA 29 ATOM 40403 C C . ASP A 1 41 ? 28.202 12.543 5.041 1.00 0.00 ? 41 ASP A C 29 ATOM 40404 O O . ASP A 1 41 ? 28.229 13.371 5.976 1.00 0.00 ? 41 ASP A O 29 ATOM 40405 C CB . ASP A 1 41 ? 26.839 14.191 3.743 1.00 0.00 ? 41 ASP A CB 29 ATOM 40406 C CG . ASP A 1 41 ? 25.543 14.417 2.989 1.00 0.00 ? 41 ASP A CG 29 ATOM 40407 O OD1 . ASP A 1 41 ? 25.325 13.733 1.966 1.00 0.00 ? 41 ASP A OD1 29 ATOM 40408 O OD2 . ASP A 1 41 ? 24.747 15.277 3.421 1.00 0.00 ? 41 ASP A OD2 29 ATOM 40409 O OXT . ASP A 1 41 ? 29.002 11.590 4.941 1.00 0.00 ? 41 ASP A OXT 29 ATOM 40410 H H . ASP A 1 41 ? 25.120 12.511 4.587 1.00 0.00 ? 41 ASP A H 29 ATOM 40411 H HA . ASP A 1 41 ? 27.501 12.281 3.043 1.00 0.00 ? 41 ASP A HA 29 ATOM 40412 H HB2 . ASP A 1 41 ? 26.766 14.684 4.700 1.00 0.00 ? 41 ASP A HB2 29 ATOM 40413 H HB3 . ASP A 1 41 ? 27.646 14.632 3.176 1.00 0.00 ? 41 ASP A HB3 29 ATOM 40414 N N . ALA B 1 1 ? 29.719 10.472 -2.681 1.00 0.00 ? 1 ALA B N 29 ATOM 40415 C CA . ALA B 1 1 ? 29.615 9.007 -2.457 1.00 0.00 ? 1 ALA B CA 29 ATOM 40416 C C . ALA B 1 1 ? 28.746 8.351 -3.525 1.00 0.00 ? 1 ALA B C 29 ATOM 40417 O O . ALA B 1 1 ? 28.107 9.033 -4.325 1.00 0.00 ? 1 ALA B O 29 ATOM 40418 C CB . ALA B 1 1 ? 29.053 8.723 -1.073 1.00 0.00 ? 1 ALA B CB 29 ATOM 40419 H H1 . ALA B 1 1 ? 28.757 10.866 -2.652 1.00 0.00 ? 1 ALA B H1 29 ATOM 40420 H H2 . ALA B 1 1 ? 30.310 10.867 -1.921 1.00 0.00 ? 1 ALA B H2 29 ATOM 40421 H H3 . ALA B 1 1 ? 30.158 10.621 -3.611 1.00 0.00 ? 1 ALA B H3 29 ATOM 40422 H HA . ALA B 1 1 ? 30.608 8.584 -2.509 1.00 0.00 ? 1 ALA B HA 29 ATOM 40423 H HB1 . ALA B 1 1 ? 28.667 9.637 -0.647 1.00 0.00 ? 1 ALA B HB1 29 ATOM 40424 H HB2 . ALA B 1 1 ? 28.257 7.997 -1.149 1.00 0.00 ? 1 ALA B HB2 29 ATOM 40425 H HB3 . ALA B 1 1 ? 29.836 8.333 -0.438 1.00 0.00 ? 1 ALA B HB3 29 ATOM 40426 N N . LEU B 1 2 ? 28.729 7.022 -3.533 1.00 0.00 ? 2 LEU B N 29 ATOM 40427 C CA . LEU B 1 2 ? 27.938 6.273 -4.503 1.00 0.00 ? 2 LEU B CA 29 ATOM 40428 C C . LEU B 1 2 ? 28.203 4.775 -4.380 1.00 0.00 ? 2 LEU B C 29 ATOM 40429 O O . LEU B 1 2 ? 29.142 4.250 -4.978 1.00 0.00 ? 2 LEU B O 29 ATOM 40430 C CB . LEU B 1 2 ? 28.254 6.746 -5.922 1.00 0.00 ? 2 LEU B CB 29 ATOM 40431 C CG . LEU B 1 2 ? 27.040 7.182 -6.745 1.00 0.00 ? 2 LEU B CG 29 ATOM 40432 C CD1 . LEU B 1 2 ? 27.436 8.243 -7.759 1.00 0.00 ? 2 LEU B CD1 29 ATOM 40433 C CD2 . LEU B 1 2 ? 26.412 5.984 -7.441 1.00 0.00 ? 2 LEU B CD2 29 ATOM 40434 H H . LEU B 1 2 ? 29.261 6.533 -2.870 1.00 0.00 ? 2 LEU B H 29 ATOM 40435 H HA . LEU B 1 2 ? 26.895 6.460 -4.294 1.00 0.00 ? 2 LEU B HA 29 ATOM 40436 H HB2 . LEU B 1 2 ? 28.937 7.581 -5.857 1.00 0.00 ? 2 LEU B HB2 29 ATOM 40437 H HB3 . LEU B 1 2 ? 28.745 5.941 -6.448 1.00 0.00 ? 2 LEU B HB3 29 ATOM 40438 H HG . LEU B 1 2 ? 26.301 7.611 -6.085 1.00 0.00 ? 2 LEU B HG 29 ATOM 40439 H HD11 . LEU B 1 2 ? 28.247 8.835 -7.364 1.00 0.00 ? 2 LEU B HD11 29 ATOM 40440 H HD12 . LEU B 1 2 ? 27.752 7.766 -8.676 1.00 0.00 ? 2 LEU B HD12 29 ATOM 40441 H HD13 . LEU B 1 2 ? 26.589 8.883 -7.961 1.00 0.00 ? 2 LEU B HD13 29 ATOM 40442 H HD21 . LEU B 1 2 ? 27.183 5.274 -7.701 1.00 0.00 ? 2 LEU B HD21 29 ATOM 40443 H HD22 . LEU B 1 2 ? 25.700 5.515 -6.779 1.00 0.00 ? 2 LEU B HD22 29 ATOM 40444 H HD23 . LEU B 1 2 ? 25.908 6.312 -8.338 1.00 0.00 ? 2 LEU B HD23 29 ATOM 40445 N N . LYS B 1 3 ? 27.367 4.093 -3.604 1.00 0.00 ? 3 LYS B N 29 ATOM 40446 C CA . LYS B 1 3 ? 27.510 2.657 -3.404 1.00 0.00 ? 3 LYS B CA 29 ATOM 40447 C C . LYS B 1 3 ? 26.726 1.880 -4.457 1.00 0.00 ? 3 LYS B C 29 ATOM 40448 O O . LYS B 1 3 ? 25.792 2.407 -5.063 1.00 0.00 ? 3 LYS B O 29 ATOM 40449 C CB . LYS B 1 3 ? 27.033 2.265 -2.004 1.00 0.00 ? 3 LYS B CB 29 ATOM 40450 C CG . LYS B 1 3 ? 27.700 3.056 -0.892 1.00 0.00 ? 3 LYS B CG 29 ATOM 40451 C CD . LYS B 1 3 ? 27.105 4.449 -0.765 1.00 0.00 ? 3 LYS B CD 29 ATOM 40452 C CE . LYS B 1 3 ? 26.924 4.848 0.690 1.00 0.00 ? 3 LYS B CE 29 ATOM 40453 N NZ . LYS B 1 3 ? 28.149 4.582 1.495 1.00 0.00 ? 3 LYS B NZ 29 ATOM 40454 H H . LYS B 1 3 ? 26.636 4.569 -3.154 1.00 0.00 ? 3 LYS B H 29 ATOM 40455 H HA . LYS B 1 3 ? 28.557 2.411 -3.500 1.00 0.00 ? 3 LYS B HA 29 ATOM 40456 H HB2 . LYS B 1 3 ? 25.967 2.425 -1.942 1.00 0.00 ? 3 LYS B HB2 29 ATOM 40457 H HB3 . LYS B 1 3 ? 27.241 1.217 -1.846 1.00 0.00 ? 3 LYS B HB3 29 ATOM 40458 H HG2 . LYS B 1 3 ? 27.562 2.531 0.042 1.00 0.00 ? 3 LYS B HG2 29 ATOM 40459 H HG3 . LYS B 1 3 ? 28.754 3.143 -1.107 1.00 0.00 ? 3 LYS B HG3 29 ATOM 40460 H HD2 . LYS B 1 3 ? 27.765 5.157 -1.243 1.00 0.00 ? 3 LYS B HD2 29 ATOM 40461 H HD3 . LYS B 1 3 ? 26.142 4.465 -1.255 1.00 0.00 ? 3 LYS B HD3 29 ATOM 40462 H HE2 . LYS B 1 3 ? 26.697 5.902 0.736 1.00 0.00 ? 3 LYS B HE2 29 ATOM 40463 H HE3 . LYS B 1 3 ? 26.101 4.284 1.105 1.00 0.00 ? 3 LYS B HE3 29 ATOM 40464 H HZ1 . LYS B 1 3 ? 28.998 4.734 0.915 1.00 0.00 ? 3 LYS B HZ1 29 ATOM 40465 H HZ2 . LYS B 1 3 ? 28.184 5.221 2.315 1.00 0.00 ? 3 LYS B HZ2 29 ATOM 40466 H HZ3 . LYS B 1 3 ? 28.147 3.600 1.836 1.00 0.00 ? 3 LYS B HZ3 29 ATOM 40467 N N . LYS B 1 4 ? 27.110 0.626 -4.671 1.00 0.00 ? 4 LYS B N 29 ATOM 40468 C CA . LYS B 1 4 ? 26.442 -0.222 -5.651 1.00 0.00 ? 4 LYS B CA 29 ATOM 40469 C C . LYS B 1 4 ? 25.543 -1.245 -4.964 1.00 0.00 ? 4 LYS B C 29 ATOM 40470 O O . LYS B 1 4 ? 24.358 -1.354 -5.279 1.00 0.00 ? 4 LYS B O 29 ATOM 40471 C CB . LYS B 1 4 ? 27.473 -0.937 -6.525 1.00 0.00 ? 4 LYS B CB 29 ATOM 40472 C CG . LYS B 1 4 ? 27.507 -0.434 -7.960 1.00 0.00 ? 4 LYS B CG 29 ATOM 40473 C CD . LYS B 1 4 ? 26.542 -1.206 -8.843 1.00 0.00 ? 4 LYS B CD 29 ATOM 40474 C CE . LYS B 1 4 ? 26.985 -1.196 -10.297 1.00 0.00 ? 4 LYS B CE 29 ATOM 40475 N NZ . LYS B 1 4 ? 26.052 -1.960 -11.170 1.00 0.00 ? 4 LYS B NZ 29 ATOM 40476 H H . LYS B 1 4 ? 27.861 0.262 -4.157 1.00 0.00 ? 4 LYS B H 29 ATOM 40477 H HA . LYS B 1 4 ? 25.831 0.413 -6.276 1.00 0.00 ? 4 LYS B HA 29 ATOM 40478 H HB2 . LYS B 1 4 ? 28.453 -0.796 -6.094 1.00 0.00 ? 4 LYS B HB2 29 ATOM 40479 H HB3 . LYS B 1 4 ? 27.244 -1.992 -6.542 1.00 0.00 ? 4 LYS B HB3 29 ATOM 40480 H HG2 . LYS B 1 4 ? 27.234 0.610 -7.972 1.00 0.00 ? 4 LYS B HG2 29 ATOM 40481 H HG3 . LYS B 1 4 ? 28.508 -0.551 -8.348 1.00 0.00 ? 4 LYS B HG3 29 ATOM 40482 H HD2 . LYS B 1 4 ? 26.493 -2.229 -8.500 1.00 0.00 ? 4 LYS B HD2 29 ATOM 40483 H HD3 . LYS B 1 4 ? 25.563 -0.754 -8.772 1.00 0.00 ? 4 LYS B HD3 29 ATOM 40484 H HE2 . LYS B 1 4 ? 27.027 -0.173 -10.639 1.00 0.00 ? 4 LYS B HE2 29 ATOM 40485 H HE3 . LYS B 1 4 ? 27.969 -1.638 -10.363 1.00 0.00 ? 4 LYS B HE3 29 ATOM 40486 H HZ1 . LYS B 1 4 ? 25.694 -2.796 -10.664 1.00 0.00 ? 4 LYS B HZ1 29 ATOM 40487 H HZ2 . LYS B 1 4 ? 25.245 -1.362 -11.440 1.00 0.00 ? 4 LYS B HZ2 29 ATOM 40488 H HZ3 . LYS B 1 4 ? 26.542 -2.272 -12.032 1.00 0.00 ? 4 LYS B HZ3 29 ATOM 40489 N N . HIS B 1 5 ? 26.113 -1.992 -4.024 1.00 0.00 ? 5 HIS B N 29 ATOM 40490 C CA . HIS B 1 5 ? 25.360 -3.003 -3.292 1.00 0.00 ? 5 HIS B CA 29 ATOM 40491 C C . HIS B 1 5 ? 24.073 -2.414 -2.727 1.00 0.00 ? 5 HIS B C 29 ATOM 40492 O O . HIS B 1 5 ? 23.022 -3.058 -2.740 1.00 0.00 ? 5 HIS B O 29 ATOM 40493 C CB . HIS B 1 5 ? 26.210 -3.585 -2.162 1.00 0.00 ? 5 HIS B CB 29 ATOM 40494 C CG . HIS B 1 5 ? 27.067 -2.567 -1.473 1.00 0.00 ? 5 HIS B CG 29 ATOM 40495 N ND1 . HIS B 1 5 ? 28.445 -2.578 -1.533 1.00 0.00 ? 5 HIS B ND1 29 ATOM 40496 C CD2 . HIS B 1 5 ? 26.735 -1.502 -0.706 1.00 0.00 ? 5 HIS B CD2 29 ATOM 40497 C CE1 . HIS B 1 5 ? 28.923 -1.565 -0.832 1.00 0.00 ? 5 HIS B CE1 29 ATOM 40498 N NE2 . HIS B 1 5 ? 27.905 -0.897 -0.322 1.00 0.00 ? 5 HIS B NE2 29 ATOM 40499 H H . HIS B 1 5 ? 27.061 -1.858 -3.816 1.00 0.00 ? 5 HIS B H 29 ATOM 40500 H HA . HIS B 1 5 ? 25.108 -3.794 -3.985 1.00 0.00 ? 5 HIS B HA 29 ATOM 40501 H HB2 . HIS B 1 5 ? 25.560 -4.025 -1.421 1.00 0.00 ? 5 HIS B HB2 29 ATOM 40502 H HB3 . HIS B 1 5 ? 26.859 -4.349 -2.565 1.00 0.00 ? 5 HIS B HB3 29 ATOM 40503 H HD1 . HIS B 1 5 ? 28.992 -3.232 -2.017 1.00 0.00 ? 5 HIS B HD1 29 ATOM 40504 H HD2 . HIS B 1 5 ? 25.734 -1.187 -0.445 1.00 0.00 ? 5 HIS B HD2 29 ATOM 40505 H HE1 . HIS B 1 5 ? 29.967 -1.324 -0.701 1.00 0.00 ? 5 HIS B HE1 29 ATOM 40506 H HE2 . HIS B 1 5 ? 27.977 -0.099 0.242 1.00 0.00 ? 5 HIS B HE2 29 ATOM 40507 N N . HIS B 1 6 ? 24.162 -1.183 -2.235 1.00 0.00 ? 6 HIS B N 29 ATOM 40508 C CA . HIS B 1 6 ? 23.004 -0.505 -1.668 1.00 0.00 ? 6 HIS B CA 29 ATOM 40509 C C . HIS B 1 6 ? 21.923 -0.321 -2.724 1.00 0.00 ? 6 HIS B C 29 ATOM 40510 O O . HIS B 1 6 ? 20.785 -0.729 -2.526 1.00 0.00 ? 6 HIS B O 29 ATOM 40511 C CB . HIS B 1 6 ? 23.407 0.850 -1.085 1.00 0.00 ? 6 HIS B CB 29 ATOM 40512 C CG . HIS B 1 6 ? 23.595 0.829 0.401 1.00 0.00 ? 6 HIS B CG 29 ATOM 40513 N ND1 . HIS B 1 6 ? 23.830 -0.328 1.114 1.00 0.00 ? 6 HIS B ND1 29 ATOM 40514 C CD2 . HIS B 1 6 ? 23.582 1.833 1.309 1.00 0.00 ? 6 HIS B CD2 29 ATOM 40515 C CE1 . HIS B 1 6 ? 23.952 -0.035 2.397 1.00 0.00 ? 6 HIS B CE1 29 ATOM 40516 N NE2 . HIS B 1 6 ? 23.808 1.269 2.540 1.00 0.00 ? 6 HIS B NE2 29 ATOM 40517 H H . HIS B 1 6 ? 25.025 -0.720 -2.256 1.00 0.00 ? 6 HIS B H 29 ATOM 40518 H HA . HIS B 1 6 ? 22.610 -1.129 -0.879 1.00 0.00 ? 6 HIS B HA 29 ATOM 40519 H HB2 . HIS B 1 6 ? 24.338 1.163 -1.532 1.00 0.00 ? 6 HIS B HB2 29 ATOM 40520 H HB3 . HIS B 1 6 ? 22.641 1.575 -1.314 1.00 0.00 ? 6 HIS B HB3 29 ATOM 40521 H HD1 . HIS B 1 6 ? 23.896 -1.230 0.737 1.00 0.00 ? 6 HIS B HD1 29 ATOM 40522 H HD2 . HIS B 1 6 ? 23.426 2.883 1.103 1.00 0.00 ? 6 HIS B HD2 29 ATOM 40523 H HE1 . HIS B 1 6 ? 24.141 -0.740 3.192 1.00 0.00 ? 6 HIS B HE1 29 ATOM 40524 H HE2 . HIS B 1 6 ? 23.853 1.755 3.391 1.00 0.00 ? 6 HIS B HE2 29 ATOM 40525 N N . GLU B 1 7 ? 22.288 0.289 -3.845 1.00 0.00 ? 7 GLU B N 29 ATOM 40526 C CA . GLU B 1 7 ? 21.347 0.514 -4.934 1.00 0.00 ? 7 GLU B CA 29 ATOM 40527 C C . GLU B 1 7 ? 20.675 -0.794 -5.348 1.00 0.00 ? 7 GLU B C 29 ATOM 40528 O O . GLU B 1 7 ? 19.587 -0.787 -5.921 1.00 0.00 ? 7 GLU B O 29 ATOM 40529 C CB . GLU B 1 7 ? 22.063 1.136 -6.135 1.00 0.00 ? 7 GLU B CB 29 ATOM 40530 C CG . GLU B 1 7 ? 21.193 2.095 -6.931 1.00 0.00 ? 7 GLU B CG 29 ATOM 40531 C CD . GLU B 1 7 ? 20.976 3.415 -6.218 1.00 0.00 ? 7 GLU B CD 29 ATOM 40532 O OE1 . GLU B 1 7 ? 20.786 3.398 -4.984 1.00 0.00 ? 7 GLU B OE1 29 ATOM 40533 O OE2 . GLU B 1 7 ? 20.998 4.465 -6.893 1.00 0.00 ? 7 GLU B OE2 29 ATOM 40534 H H . GLU B 1 7 ? 23.212 0.591 -3.946 1.00 0.00 ? 7 GLU B H 29 ATOM 40535 H HA . GLU B 1 7 ? 20.591 1.199 -4.583 1.00 0.00 ? 7 GLU B HA 29 ATOM 40536 H HB2 . GLU B 1 7 ? 22.929 1.676 -5.783 1.00 0.00 ? 7 GLU B HB2 29 ATOM 40537 H HB3 . GLU B 1 7 ? 22.387 0.345 -6.795 1.00 0.00 ? 7 GLU B HB3 29 ATOM 40538 H HG2 . GLU B 1 7 ? 21.671 2.291 -7.880 1.00 0.00 ? 7 GLU B HG2 29 ATOM 40539 H HG3 . GLU B 1 7 ? 20.232 1.632 -7.102 1.00 0.00 ? 7 GLU B HG3 29 ATOM 40540 N N . ASN B 1 8 ? 21.330 -1.916 -5.052 1.00 0.00 ? 8 ASN B N 29 ATOM 40541 C CA . ASN B 1 8 ? 20.790 -3.229 -5.391 1.00 0.00 ? 8 ASN B CA 29 ATOM 40542 C C . ASN B 1 8 ? 19.589 -3.557 -4.512 1.00 0.00 ? 8 ASN B C 29 ATOM 40543 O O . ASN B 1 8 ? 18.477 -3.744 -5.008 1.00 0.00 ? 8 ASN B O 29 ATOM 40544 C CB . ASN B 1 8 ? 21.865 -4.305 -5.233 1.00 0.00 ? 8 ASN B CB 29 ATOM 40545 C CG . ASN B 1 8 ? 22.304 -4.884 -6.565 1.00 0.00 ? 8 ASN B CG 29 ATOM 40546 O OD1 . ASN B 1 8 ? 21.916 -4.394 -7.625 1.00 0.00 ? 8 ASN B OD1 29 ATOM 40547 N ND2 . ASN B 1 8 ? 23.115 -5.934 -6.515 1.00 0.00 ? 8 ASN B ND2 29 ATOM 40548 H H . ASN B 1 8 ? 22.194 -1.860 -4.593 1.00 0.00 ? 8 ASN B H 29 ATOM 40549 H HA . ASN B 1 8 ? 20.469 -3.198 -6.421 1.00 0.00 ? 8 ASN B HA 29 ATOM 40550 H HB2 . ASN B 1 8 ? 22.729 -3.875 -4.749 1.00 0.00 ? 8 ASN B HB2 29 ATOM 40551 H HB3 . ASN B 1 8 ? 21.477 -5.107 -4.623 1.00 0.00 ? 8 ASN B HB3 29 ATOM 40552 H HD21 . ASN B 1 8 ? 23.383 -6.271 -5.634 1.00 0.00 ? 8 ASN B HD21 29 ATOM 40553 H HD22 . ASN B 1 8 ? 23.414 -6.328 -7.360 1.00 0.00 ? 8 ASN B HD22 29 ATOM 40554 N N . GLU B 1 9 ? 19.814 -3.603 -3.202 1.00 0.00 ? 9 GLU B N 29 ATOM 40555 C CA . GLU B 1 9 ? 18.734 -3.884 -2.261 1.00 0.00 ? 9 GLU B CA 29 ATOM 40556 C C . GLU B 1 9 ? 17.769 -2.698 -2.171 1.00 0.00 ? 9 GLU B C 29 ATOM 40557 O O . GLU B 1 9 ? 16.709 -2.792 -1.552 1.00 0.00 ? 9 GLU B O 29 ATOM 40558 C CB . GLU B 1 9 ? 19.305 -4.197 -0.875 1.00 0.00 ? 9 GLU B CB 29 ATOM 40559 C CG . GLU B 1 9 ? 20.466 -5.178 -0.904 1.00 0.00 ? 9 GLU B CG 29 ATOM 40560 C CD . GLU B 1 9 ? 21.813 -4.489 -0.808 1.00 0.00 ? 9 GLU B CD 29 ATOM 40561 O OE1 . GLU B 1 9 ? 21.881 -3.400 -0.202 1.00 0.00 ? 9 GLU B OE1 29 ATOM 40562 O OE2 . GLU B 1 9 ? 22.800 -5.039 -1.340 1.00 0.00 ? 9 GLU B OE2 29 ATOM 40563 H H . GLU B 1 9 ? 20.719 -3.425 -2.858 1.00 0.00 ? 9 GLU B H 29 ATOM 40564 H HA . GLU B 1 9 ? 18.194 -4.746 -2.622 1.00 0.00 ? 9 GLU B HA 29 ATOM 40565 H HB2 . GLU B 1 9 ? 19.648 -3.278 -0.424 1.00 0.00 ? 9 GLU B HB2 29 ATOM 40566 H HB3 . GLU B 1 9 ? 18.522 -4.618 -0.263 1.00 0.00 ? 9 GLU B HB3 29 ATOM 40567 H HG2 . GLU B 1 9 ? 20.367 -5.858 -0.071 1.00 0.00 ? 9 GLU B HG2 29 ATOM 40568 H HG3 . GLU B 1 9 ? 20.427 -5.734 -1.829 1.00 0.00 ? 9 GLU B HG3 29 ATOM 40569 N N . ILE B 1 10 ? 18.144 -1.584 -2.801 1.00 0.00 ? 10 ILE B N 29 ATOM 40570 C CA . ILE B 1 10 ? 17.332 -0.381 -2.805 1.00 0.00 ? 10 ILE B CA 29 ATOM 40571 C C . ILE B 1 10 ? 16.396 -0.387 -4.009 1.00 0.00 ? 10 ILE B C 29 ATOM 40572 O O . ILE B 1 10 ? 15.299 0.168 -3.963 1.00 0.00 ? 10 ILE B O 29 ATOM 40573 C CB . ILE B 1 10 ? 18.244 0.873 -2.823 1.00 0.00 ? 10 ILE B CB 29 ATOM 40574 C CG1 . ILE B 1 10 ? 18.953 1.023 -1.477 1.00 0.00 ? 10 ILE B CG1 29 ATOM 40575 C CG2 . ILE B 1 10 ? 17.470 2.141 -3.154 1.00 0.00 ? 10 ILE B CG2 29 ATOM 40576 C CD1 . ILE B 1 10 ? 20.158 1.936 -1.527 1.00 0.00 ? 10 ILE B CD1 29 ATOM 40577 H H . ILE B 1 10 ? 18.990 -1.571 -3.280 1.00 0.00 ? 10 ILE B H 29 ATOM 40578 H HA . ILE B 1 10 ? 16.744 -0.369 -1.899 1.00 0.00 ? 10 ILE B HA 29 ATOM 40579 H HB . ILE B 1 10 ? 18.987 0.730 -3.592 1.00 0.00 ? 10 ILE B HB 29 ATOM 40580 H HG12 . ILE B 1 10 ? 18.259 1.430 -0.756 1.00 0.00 ? 10 ILE B HG12 29 ATOM 40581 H HG13 . ILE B 1 10 ? 19.285 0.052 -1.142 1.00 0.00 ? 10 ILE B HG13 29 ATOM 40582 H HG21 . ILE B 1 10 ? 16.890 1.988 -4.052 1.00 0.00 ? 10 ILE B HG21 29 ATOM 40583 H HG22 . ILE B 1 10 ? 16.812 2.387 -2.334 1.00 0.00 ? 10 ILE B HG22 29 ATOM 40584 H HG23 . ILE B 1 10 ? 18.168 2.951 -3.311 1.00 0.00 ? 10 ILE B HG23 29 ATOM 40585 H HD11 . ILE B 1 10 ? 20.700 1.768 -2.446 1.00 0.00 ? 10 ILE B HD11 29 ATOM 40586 H HD12 . ILE B 1 10 ? 19.832 2.965 -1.485 1.00 0.00 ? 10 ILE B HD12 29 ATOM 40587 H HD13 . ILE B 1 10 ? 20.803 1.728 -0.686 1.00 0.00 ? 10 ILE B HD13 29 ATOM 40588 N N . SER B 1 11 ? 16.831 -1.037 -5.081 1.00 0.00 ? 11 SER B N 29 ATOM 40589 C CA . SER B 1 11 ? 16.022 -1.132 -6.285 1.00 0.00 ? 11 SER B CA 29 ATOM 40590 C C . SER B 1 11 ? 14.984 -2.232 -6.122 1.00 0.00 ? 11 SER B C 29 ATOM 40591 O O . SER B 1 11 ? 13.895 -2.168 -6.694 1.00 0.00 ? 11 SER B O 29 ATOM 40592 C CB . SER B 1 11 ? 16.902 -1.411 -7.504 1.00 0.00 ? 11 SER B CB 29 ATOM 40593 O OG . SER B 1 11 ? 17.819 -2.460 -7.243 1.00 0.00 ? 11 SER B OG 29 ATOM 40594 H H . SER B 1 11 ? 17.708 -1.475 -5.056 1.00 0.00 ? 11 SER B H 29 ATOM 40595 H HA . SER B 1 11 ? 15.512 -0.189 -6.420 1.00 0.00 ? 11 SER B HA 29 ATOM 40596 H HB2 . SER B 1 11 ? 16.278 -1.696 -8.339 1.00 0.00 ? 11 SER B HB2 29 ATOM 40597 H HB3 . SER B 1 11 ? 17.456 -0.519 -7.757 1.00 0.00 ? 11 SER B HB3 29 ATOM 40598 H HG . SER B 1 11 ? 18.678 -2.232 -7.607 1.00 0.00 ? 11 SER B HG 29 ATOM 40599 N N . HIS B 1 12 ? 15.327 -3.237 -5.321 1.00 0.00 ? 12 HIS B N 29 ATOM 40600 C CA . HIS B 1 12 ? 14.426 -4.346 -5.065 1.00 0.00 ? 12 HIS B CA 29 ATOM 40601 C C . HIS B 1 12 ? 13.374 -3.932 -4.033 1.00 0.00 ? 12 HIS B C 29 ATOM 40602 O O . HIS B 1 12 ? 12.178 -4.136 -4.244 1.00 0.00 ? 12 HIS B O 29 ATOM 40603 C CB . HIS B 1 12 ? 15.240 -5.584 -4.626 1.00 0.00 ? 12 HIS B CB 29 ATOM 40604 C CG . HIS B 1 12 ? 14.645 -6.393 -3.508 1.00 0.00 ? 12 HIS B CG 29 ATOM 40605 N ND1 . HIS B 1 12 ? 13.802 -7.465 -3.714 1.00 0.00 ? 12 HIS B ND1 29 ATOM 40606 C CD2 . HIS B 1 12 ? 14.784 -6.274 -2.170 1.00 0.00 ? 12 HIS B CD2 29 ATOM 40607 C CE1 . HIS B 1 12 ? 13.447 -7.971 -2.545 1.00 0.00 ? 12 HIS B CE1 29 ATOM 40608 N NE2 . HIS B 1 12 ? 14.030 -7.266 -1.594 1.00 0.00 ? 12 HIS B NE2 29 ATOM 40609 H H . HIS B 1 12 ? 16.206 -3.226 -4.884 1.00 0.00 ? 12 HIS B H 29 ATOM 40610 H HA . HIS B 1 12 ? 13.919 -4.571 -5.993 1.00 0.00 ? 12 HIS B HA 29 ATOM 40611 H HB2 . HIS B 1 12 ? 15.352 -6.242 -5.473 1.00 0.00 ? 12 HIS B HB2 29 ATOM 40612 H HB3 . HIS B 1 12 ? 16.220 -5.257 -4.309 1.00 0.00 ? 12 HIS B HB3 29 ATOM 40613 H HD1 . HIS B 1 12 ? 13.508 -7.804 -4.584 1.00 0.00 ? 12 HIS B HD1 29 ATOM 40614 H HD2 . HIS B 1 12 ? 15.377 -5.532 -1.652 1.00 0.00 ? 12 HIS B HD2 29 ATOM 40615 H HE1 . HIS B 1 12 ? 12.793 -8.817 -2.396 1.00 0.00 ? 12 HIS B HE1 29 ATOM 40616 H HE2 . HIS B 1 12 ? 13.938 -7.428 -0.631 1.00 0.00 ? 12 HIS B HE2 29 ATOM 40617 N N . HIS B 1 13 ? 13.814 -3.333 -2.926 1.00 0.00 ? 13 HIS B N 29 ATOM 40618 C CA . HIS B 1 13 ? 12.880 -2.887 -1.902 1.00 0.00 ? 13 HIS B CA 29 ATOM 40619 C C . HIS B 1 13 ? 12.021 -1.753 -2.439 1.00 0.00 ? 13 HIS B C 29 ATOM 40620 O O . HIS B 1 13 ? 10.897 -1.553 -1.989 1.00 0.00 ? 13 HIS B O 29 ATOM 40621 C CB . HIS B 1 13 ? 13.610 -2.411 -0.651 1.00 0.00 ? 13 HIS B CB 29 ATOM 40622 C CG . HIS B 1 13 ? 14.392 -3.469 0.047 1.00 0.00 ? 13 HIS B CG 29 ATOM 40623 N ND1 . HIS B 1 13 ? 14.040 -4.802 0.056 1.00 0.00 ? 13 HIS B ND1 29 ATOM 40624 C CD2 . HIS B 1 13 ? 15.521 -3.372 0.774 1.00 0.00 ? 13 HIS B CD2 29 ATOM 40625 C CE1 . HIS B 1 13 ? 14.926 -5.482 0.764 1.00 0.00 ? 13 HIS B CE1 29 ATOM 40626 N NE2 . HIS B 1 13 ? 15.836 -4.636 1.210 1.00 0.00 ? 13 HIS B NE2 29 ATOM 40627 H H . HIS B 1 13 ? 14.778 -3.175 -2.803 1.00 0.00 ? 13 HIS B H 29 ATOM 40628 H HA . HIS B 1 13 ? 12.242 -3.720 -1.646 1.00 0.00 ? 13 HIS B HA 29 ATOM 40629 H HB2 . HIS B 1 13 ? 14.296 -1.628 -0.923 1.00 0.00 ? 13 HIS B HB2 29 ATOM 40630 H HB3 . HIS B 1 13 ? 12.886 -2.021 0.048 1.00 0.00 ? 13 HIS B HB3 29 ATOM 40631 H HD1 . HIS B 1 13 ? 13.259 -5.191 -0.388 1.00 0.00 ? 13 HIS B HD1 29 ATOM 40632 H HD2 . HIS B 1 13 ? 16.068 -2.463 0.975 1.00 0.00 ? 13 HIS B HD2 29 ATOM 40633 H HE1 . HIS B 1 13 ? 14.909 -6.546 0.946 1.00 0.00 ? 13 HIS B HE1 29 ATOM 40634 H HE2 . HIS B 1 13 ? 16.609 -4.874 1.764 1.00 0.00 ? 13 HIS B HE2 29 ATOM 40635 N N . ALA B 1 14 ? 12.562 -1.009 -3.401 1.00 0.00 ? 14 ALA B N 29 ATOM 40636 C CA . ALA B 1 14 ? 11.839 0.106 -3.996 1.00 0.00 ? 14 ALA B CA 29 ATOM 40637 C C . ALA B 1 14 ? 10.652 -0.400 -4.800 1.00 0.00 ? 14 ALA B C 29 ATOM 40638 O O . ALA B 1 14 ? 9.528 0.070 -4.629 1.00 0.00 ? 14 ALA B O 29 ATOM 40639 C CB . ALA B 1 14 ? 12.765 0.934 -4.875 1.00 0.00 ? 14 ALA B CB 29 ATOM 40640 H H . ALA B 1 14 ? 13.468 -1.215 -3.718 1.00 0.00 ? 14 ALA B H 29 ATOM 40641 H HA . ALA B 1 14 ? 11.476 0.736 -3.195 1.00 0.00 ? 14 ALA B HA 29 ATOM 40642 H HB1 . ALA B 1 14 ? 13.376 0.275 -5.475 1.00 0.00 ? 14 ALA B HB1 29 ATOM 40643 H HB2 . ALA B 1 14 ? 13.402 1.545 -4.251 1.00 0.00 ? 14 ALA B HB2 29 ATOM 40644 H HB3 . ALA B 1 14 ? 12.177 1.568 -5.520 1.00 0.00 ? 14 ALA B HB3 29 ATOM 40645 N N . LYS B 1 15 ? 10.905 -1.376 -5.665 1.00 0.00 ? 15 LYS B N 29 ATOM 40646 C CA . LYS B 1 15 ? 9.846 -1.957 -6.475 1.00 0.00 ? 15 LYS B CA 29 ATOM 40647 C C . LYS B 1 15 ? 8.847 -2.695 -5.588 1.00 0.00 ? 15 LYS B C 29 ATOM 40648 O O . LYS B 1 15 ? 7.695 -2.902 -5.971 1.00 0.00 ? 15 LYS B O 29 ATOM 40649 C CB . LYS B 1 15 ? 10.431 -2.914 -7.516 1.00 0.00 ? 15 LYS B CB 29 ATOM 40650 C CG . LYS B 1 15 ? 10.486 -2.330 -8.918 1.00 0.00 ? 15 LYS B CG 29 ATOM 40651 C CD . LYS B 1 15 ? 9.179 -2.546 -9.663 1.00 0.00 ? 15 LYS B CD 29 ATOM 40652 C CE . LYS B 1 15 ? 9.421 -2.883 -11.125 1.00 0.00 ? 15 LYS B CE 29 ATOM 40653 N NZ . LYS B 1 15 ? 10.026 -4.234 -11.291 1.00 0.00 ? 15 LYS B NZ 29 ATOM 40654 H H . LYS B 1 15 ? 11.821 -1.723 -5.749 1.00 0.00 ? 15 LYS B H 29 ATOM 40655 H HA . LYS B 1 15 ? 9.334 -1.152 -6.982 1.00 0.00 ? 15 LYS B HA 29 ATOM 40656 H HB2 . LYS B 1 15 ? 11.435 -3.178 -7.220 1.00 0.00 ? 15 LYS B HB2 29 ATOM 40657 H HB3 . LYS B 1 15 ? 9.826 -3.808 -7.546 1.00 0.00 ? 15 LYS B HB3 29 ATOM 40658 H HG2 . LYS B 1 15 ? 10.677 -1.268 -8.847 1.00 0.00 ? 15 LYS B HG2 29 ATOM 40659 H HG3 . LYS B 1 15 ? 11.285 -2.806 -9.465 1.00 0.00 ? 15 LYS B HG3 29 ATOM 40660 H HD2 . LYS B 1 15 ? 8.642 -3.360 -9.200 1.00 0.00 ? 15 LYS B HD2 29 ATOM 40661 H HD3 . LYS B 1 15 ? 8.588 -1.643 -9.603 1.00 0.00 ? 15 LYS B HD3 29 ATOM 40662 H HE2 . LYS B 1 15 ? 8.476 -2.855 -11.648 1.00 0.00 ? 15 LYS B HE2 29 ATOM 40663 H HE3 . LYS B 1 15 ? 10.087 -2.145 -11.546 1.00 0.00 ? 15 LYS B HE3 29 ATOM 40664 H HZ1 . LYS B 1 15 ? 10.076 -4.718 -10.372 1.00 0.00 ? 15 LYS B HZ1 29 ATOM 40665 H HZ2 . LYS B 1 15 ? 9.450 -4.806 -11.940 1.00 0.00 ? 15 LYS B HZ2 29 ATOM 40666 H HZ3 . LYS B 1 15 ? 10.987 -4.150 -11.679 1.00 0.00 ? 15 LYS B HZ3 29 ATOM 40667 N N . GLU B 1 16 ? 9.298 -3.088 -4.398 1.00 0.00 ? 16 GLU B N 29 ATOM 40668 C CA . GLU B 1 16 ? 8.449 -3.800 -3.453 1.00 0.00 ? 16 GLU B CA 29 ATOM 40669 C C . GLU B 1 16 ? 7.469 -2.851 -2.770 1.00 0.00 ? 16 GLU B C 29 ATOM 40670 O O . GLU B 1 16 ? 6.314 -3.206 -2.540 1.00 0.00 ? 16 GLU B O 29 ATOM 40671 C CB . GLU B 1 16 ? 9.304 -4.510 -2.404 1.00 0.00 ? 16 GLU B CB 29 ATOM 40672 C CG . GLU B 1 16 ? 10.260 -5.537 -2.990 1.00 0.00 ? 16 GLU B CG 29 ATOM 40673 C CD . GLU B 1 16 ? 9.871 -6.961 -2.642 1.00 0.00 ? 16 GLU B CD 29 ATOM 40674 O OE1 . GLU B 1 16 ? 8.660 -7.268 -2.668 1.00 0.00 ? 16 GLU B OE1 29 ATOM 40675 O OE2 . GLU B 1 16 ? 10.776 -7.768 -2.346 1.00 0.00 ? 16 GLU B OE2 29 ATOM 40676 H H . GLU B 1 16 ? 10.225 -2.896 -4.148 1.00 0.00 ? 16 GLU B H 29 ATOM 40677 H HA . GLU B 1 16 ? 7.889 -4.539 -4.005 1.00 0.00 ? 16 GLU B HA 29 ATOM 40678 H HB2 . GLU B 1 16 ? 9.886 -3.772 -1.870 1.00 0.00 ? 16 GLU B HB2 29 ATOM 40679 H HB3 . GLU B 1 16 ? 8.652 -5.014 -1.705 1.00 0.00 ? 16 GLU B HB3 29 ATOM 40680 H HG2 . GLU B 1 16 ? 10.264 -5.433 -4.064 1.00 0.00 ? 16 GLU B HG2 29 ATOM 40681 H HG3 . GLU B 1 16 ? 11.252 -5.346 -2.606 1.00 0.00 ? 16 GLU B HG3 29 ATOM 40682 N N . ILE B 1 17 ? 7.931 -1.644 -2.439 1.00 0.00 ? 17 ILE B N 29 ATOM 40683 C CA . ILE B 1 17 ? 7.075 -0.664 -1.779 1.00 0.00 ? 17 ILE B CA 29 ATOM 40684 C C . ILE B 1 17 ? 6.044 -0.095 -2.754 1.00 0.00 ? 17 ILE B C 29 ATOM 40685 O O . ILE B 1 17 ? 4.898 0.158 -2.384 1.00 0.00 ? 17 ILE B O 29 ATOM 40686 C CB . ILE B 1 17 ? 7.913 0.475 -1.133 1.00 0.00 ? 17 ILE B CB 29 ATOM 40687 C CG1 . ILE B 1 17 ? 8.257 1.580 -2.143 1.00 0.00 ? 17 ILE B CG1 29 ATOM 40688 C CG2 . ILE B 1 17 ? 9.190 -0.089 -0.535 1.00 0.00 ? 17 ILE B CG2 29 ATOM 40689 C CD1 . ILE B 1 17 ? 7.215 2.675 -2.220 1.00 0.00 ? 17 ILE B CD1 29 ATOM 40690 H H . ILE B 1 17 ? 8.865 -1.410 -2.641 1.00 0.00 ? 17 ILE B H 29 ATOM 40691 H HA . ILE B 1 17 ? 6.541 -1.177 -0.989 1.00 0.00 ? 17 ILE B HA 29 ATOM 40692 H HB . ILE B 1 17 ? 7.333 0.899 -0.327 1.00 0.00 ? 17 ILE B HB 29 ATOM 40693 H HG12 . ILE B 1 17 ? 9.196 2.035 -1.865 1.00 0.00 ? 17 ILE B HG12 29 ATOM 40694 H HG13 . ILE B 1 17 ? 8.352 1.142 -3.127 1.00 0.00 ? 17 ILE B HG13 29 ATOM 40695 H HG21 . ILE B 1 17 ? 9.151 -1.169 -0.551 1.00 0.00 ? 17 ILE B HG21 29 ATOM 40696 H HG22 . ILE B 1 17 ? 10.038 0.249 -1.112 1.00 0.00 ? 17 ILE B HG22 29 ATOM 40697 H HG23 . ILE B 1 17 ? 9.291 0.252 0.484 1.00 0.00 ? 17 ILE B HG23 29 ATOM 40698 H HD11 . ILE B 1 17 ? 6.323 2.359 -1.700 1.00 0.00 ? 17 ILE B HD11 29 ATOM 40699 H HD12 . ILE B 1 17 ? 7.602 3.572 -1.759 1.00 0.00 ? 17 ILE B HD12 29 ATOM 40700 H HD13 . ILE B 1 17 ? 6.978 2.874 -3.253 1.00 0.00 ? 17 ILE B HD13 29 ATOM 40701 N N . GLU B 1 18 ? 6.462 0.096 -4.001 1.00 0.00 ? 18 GLU B N 29 ATOM 40702 C CA . GLU B 1 18 ? 5.574 0.624 -5.029 1.00 0.00 ? 18 GLU B CA 29 ATOM 40703 C C . GLU B 1 18 ? 4.597 -0.451 -5.491 1.00 0.00 ? 18 GLU B C 29 ATOM 40704 O O . GLU B 1 18 ? 3.493 -0.149 -5.944 1.00 0.00 ? 18 GLU B O 29 ATOM 40705 C CB . GLU B 1 18 ? 6.384 1.142 -6.219 1.00 0.00 ? 18 GLU B CB 29 ATOM 40706 C CG . GLU B 1 18 ? 5.666 2.214 -7.023 1.00 0.00 ? 18 GLU B CG 29 ATOM 40707 C CD . GLU B 1 18 ? 6.348 2.506 -8.345 1.00 0.00 ? 18 GLU B CD 29 ATOM 40708 O OE1 . GLU B 1 18 ? 7.557 2.220 -8.465 1.00 0.00 ? 18 GLU B OE1 29 ATOM 40709 O OE2 . GLU B 1 18 ? 5.671 3.020 -9.261 1.00 0.00 ? 18 GLU B OE2 29 ATOM 40710 H H . GLU B 1 18 ? 7.385 -0.132 -4.239 1.00 0.00 ? 18 GLU B H 29 ATOM 40711 H HA . GLU B 1 18 ? 5.017 1.442 -4.598 1.00 0.00 ? 18 GLU B HA 29 ATOM 40712 H HB2 . GLU B 1 18 ? 7.312 1.556 -5.856 1.00 0.00 ? 18 GLU B HB2 29 ATOM 40713 H HB3 . GLU B 1 18 ? 6.602 0.314 -6.878 1.00 0.00 ? 18 GLU B HB3 29 ATOM 40714 H HG2 . GLU B 1 18 ? 4.657 1.882 -7.221 1.00 0.00 ? 18 GLU B HG2 29 ATOM 40715 H HG3 . GLU B 1 18 ? 5.636 3.123 -6.440 1.00 0.00 ? 18 GLU B HG3 29 ATOM 40716 N N . ARG B 1 19 ? 5.011 -1.708 -5.365 1.00 0.00 ? 19 ARG B N 29 ATOM 40717 C CA . ARG B 1 19 ? 4.176 -2.833 -5.763 1.00 0.00 ? 19 ARG B CA 29 ATOM 40718 C C . ARG B 1 19 ? 3.029 -3.028 -4.777 1.00 0.00 ? 19 ARG B C 29 ATOM 40719 O O . ARG B 1 19 ? 1.876 -3.210 -5.178 1.00 0.00 ? 19 ARG B O 29 ATOM 40720 C CB . ARG B 1 19 ? 5.012 -4.111 -5.851 1.00 0.00 ? 19 ARG B CB 29 ATOM 40721 C CG . ARG B 1 19 ? 4.204 -5.342 -6.225 1.00 0.00 ? 19 ARG B CG 29 ATOM 40722 C CD . ARG B 1 19 ? 4.857 -6.615 -5.712 1.00 0.00 ? 19 ARG B CD 29 ATOM 40723 N NE . ARG B 1 19 ? 4.675 -7.733 -6.632 1.00 0.00 ? 19 ARG B NE 29 ATOM 40724 C CZ . ARG B 1 19 ? 3.561 -8.455 -6.702 1.00 0.00 ? 19 ARG B CZ 29 ATOM 40725 N NH1 . ARG B 1 19 ? 2.537 -8.177 -5.907 1.00 0.00 ? 19 ARG B NH1 29 ATOM 40726 N NH2 . ARG B 1 19 ? 3.470 -9.456 -7.567 1.00 0.00 ? 19 ARG B NH2 29 ATOM 40727 H H . ARG B 1 19 ? 5.901 -1.883 -4.992 1.00 0.00 ? 19 ARG B H 29 ATOM 40728 H HA . ARG B 1 19 ? 3.765 -2.613 -6.737 1.00 0.00 ? 19 ARG B HA 29 ATOM 40729 H HB2 . ARG B 1 19 ? 5.783 -3.973 -6.595 1.00 0.00 ? 19 ARG B HB2 29 ATOM 40730 H HB3 . ARG B 1 19 ? 5.477 -4.290 -4.892 1.00 0.00 ? 19 ARG B HB3 29 ATOM 40731 H HG2 . ARG B 1 19 ? 3.217 -5.258 -5.796 1.00 0.00 ? 19 ARG B HG2 29 ATOM 40732 H HG3 . ARG B 1 19 ? 4.127 -5.396 -7.302 1.00 0.00 ? 19 ARG B HG3 29 ATOM 40733 H HD2 . ARG B 1 19 ? 5.914 -6.436 -5.583 1.00 0.00 ? 19 ARG B HD2 29 ATOM 40734 H HD3 . ARG B 1 19 ? 4.418 -6.870 -4.758 1.00 0.00 ? 19 ARG B HD3 29 ATOM 40735 H HE . ARG B 1 19 ? 5.419 -7.957 -7.228 1.00 0.00 ? 19 ARG B HE 29 ATOM 40736 H HH11 . ARG B 1 19 ? 2.602 -7.422 -5.254 1.00 0.00 ? 19 ARG B HH11 29 ATOM 40737 H HH12 . ARG B 1 19 ? 1.699 -8.720 -5.962 1.00 0.00 ? 19 ARG B HH12 29 ATOM 40738 H HH21 . ARG B 1 19 ? 4.240 -9.669 -8.168 1.00 0.00 ? 19 ARG B HH21 29 ATOM 40739 H HH22 . ARG B 1 19 ? 2.631 -9.998 -7.619 1.00 0.00 ? 19 ARG B HH22 29 ATOM 40740 N N . LEU B 1 20 ? 3.345 -2.982 -3.485 1.00 0.00 ? 20 LEU B N 29 ATOM 40741 C CA . LEU B 1 20 ? 2.330 -3.148 -2.455 1.00 0.00 ? 20 LEU B CA 29 ATOM 40742 C C . LEU B 1 20 ? 1.349 -1.984 -2.489 1.00 0.00 ? 20 LEU B C 29 ATOM 40743 O O . LEU B 1 20 ? 0.148 -2.162 -2.288 1.00 0.00 ? 20 LEU B O 29 ATOM 40744 C CB . LEU B 1 20 ? 2.980 -3.254 -1.075 1.00 0.00 ? 20 LEU B CB 29 ATOM 40745 C CG . LEU B 1 20 ? 4.158 -4.225 -0.987 1.00 0.00 ? 20 LEU B CG 29 ATOM 40746 C CD1 . LEU B 1 20 ? 5.264 -3.644 -0.118 1.00 0.00 ? 20 LEU B CD1 29 ATOM 40747 C CD2 . LEU B 1 20 ? 3.701 -5.569 -0.441 1.00 0.00 ? 20 LEU B CD2 29 ATOM 40748 H H . LEU B 1 20 ? 4.278 -2.825 -3.219 1.00 0.00 ? 20 LEU B H 29 ATOM 40749 H HA . LEU B 1 20 ? 1.793 -4.062 -2.664 1.00 0.00 ? 20 LEU B HA 29 ATOM 40750 H HB2 . LEU B 1 20 ? 3.325 -2.272 -0.785 1.00 0.00 ? 20 LEU B HB2 29 ATOM 40751 H HB3 . LEU B 1 20 ? 2.227 -3.575 -0.371 1.00 0.00 ? 20 LEU B HB3 29 ATOM 40752 H HG . LEU B 1 20 ? 4.560 -4.384 -1.977 1.00 0.00 ? 20 LEU B HG 29 ATOM 40753 H HD11 . LEU B 1 20 ? 5.291 -2.571 -0.239 1.00 0.00 ? 20 LEU B HD11 29 ATOM 40754 H HD12 . LEU B 1 20 ? 5.073 -3.886 0.917 1.00 0.00 ? 20 LEU B HD12 29 ATOM 40755 H HD13 . LEU B 1 20 ? 6.213 -4.063 -0.417 1.00 0.00 ? 20 LEU B HD13 29 ATOM 40756 H HD21 . LEU B 1 20 ? 2.863 -5.421 0.224 1.00 0.00 ? 20 LEU B HD21 29 ATOM 40757 H HD22 . LEU B 1 20 ? 3.401 -6.206 -1.260 1.00 0.00 ? 20 LEU B HD22 29 ATOM 40758 H HD23 . LEU B 1 20 ? 4.512 -6.034 0.100 1.00 0.00 ? 20 LEU B HD23 29 ATOM 40759 N N . GLN B 1 21 ? 1.872 -0.790 -2.753 1.00 0.00 ? 21 GLN B N 29 ATOM 40760 C CA . GLN B 1 21 ? 1.044 0.407 -2.824 1.00 0.00 ? 21 GLN B CA 29 ATOM 40761 C C . GLN B 1 21 ? 0.035 0.289 -3.960 1.00 0.00 ? 21 GLN B C 29 ATOM 40762 O O . GLN B 1 21 ? -1.114 0.709 -3.829 1.00 0.00 ? 21 GLN B O 29 ATOM 40763 C CB . GLN B 1 21 ? 1.917 1.647 -3.028 1.00 0.00 ? 21 GLN B CB 29 ATOM 40764 C CG . GLN B 1 21 ? 1.151 2.955 -2.914 1.00 0.00 ? 21 GLN B CG 29 ATOM 40765 C CD . GLN B 1 21 ? 1.903 4.125 -3.519 1.00 0.00 ? 21 GLN B CD 29 ATOM 40766 O OE1 . GLN B 1 21 ? 1.310 4.998 -4.153 1.00 0.00 ? 21 GLN B OE1 29 ATOM 40767 N NE2 . GLN B 1 21 ? 3.216 4.148 -3.327 1.00 0.00 ? 21 GLN B NE2 29 ATOM 40768 H H . GLN B 1 21 ? 2.836 -0.714 -2.911 1.00 0.00 ? 21 GLN B H 29 ATOM 40769 H HA . GLN B 1 21 ? 0.512 0.500 -1.891 1.00 0.00 ? 21 GLN B HA 29 ATOM 40770 H HB2 . GLN B 1 21 ? 2.700 1.648 -2.284 1.00 0.00 ? 21 GLN B HB2 29 ATOM 40771 H HB3 . GLN B 1 21 ? 2.365 1.602 -4.009 1.00 0.00 ? 21 GLN B HB3 29 ATOM 40772 H HG2 . GLN B 1 21 ? 0.207 2.851 -3.427 1.00 0.00 ? 21 GLN B HG2 29 ATOM 40773 H HG3 . GLN B 1 21 ? 0.972 3.164 -1.869 1.00 0.00 ? 21 GLN B HG3 29 ATOM 40774 H HE21 . GLN B 1 21 ? 3.622 3.418 -2.813 1.00 0.00 ? 21 GLN B HE21 29 ATOM 40775 H HE22 . GLN B 1 21 ? 3.728 4.892 -3.708 1.00 0.00 ? 21 GLN B HE22 29 ATOM 40776 N N . LYS B 1 22 ? 0.471 -0.293 -5.073 1.00 0.00 ? 22 LYS B N 29 ATOM 40777 C CA . LYS B 1 22 ? -0.396 -0.475 -6.228 1.00 0.00 ? 22 LYS B CA 29 ATOM 40778 C C . LYS B 1 22 ? -1.601 -1.332 -5.857 1.00 0.00 ? 22 LYS B C 29 ATOM 40779 O O . LYS B 1 22 ? -2.744 -0.977 -6.149 1.00 0.00 ? 22 LYS B O 29 ATOM 40780 C CB . LYS B 1 22 ? 0.375 -1.128 -7.377 1.00 0.00 ? 22 LYS B CB 29 ATOM 40781 C CG . LYS B 1 22 ? -0.493 -1.481 -8.573 1.00 0.00 ? 22 LYS B CG 29 ATOM 40782 C CD . LYS B 1 22 ? 0.188 -2.495 -9.477 1.00 0.00 ? 22 LYS B CD 29 ATOM 40783 C CE . LYS B 1 22 ? -0.156 -3.920 -9.074 1.00 0.00 ? 22 LYS B CE 29 ATOM 40784 N NZ . LYS B 1 22 ? -0.761 -4.685 -10.199 1.00 0.00 ? 22 LYS B NZ 29 ATOM 40785 H H . LYS B 1 22 ? 1.397 -0.612 -5.114 1.00 0.00 ? 22 LYS B H 29 ATOM 40786 H HA . LYS B 1 22 ? -0.743 0.498 -6.542 1.00 0.00 ? 22 LYS B HA 29 ATOM 40787 H HB2 . LYS B 1 22 ? 1.147 -0.448 -7.708 1.00 0.00 ? 22 LYS B HB2 29 ATOM 40788 H HB3 . LYS B 1 22 ? 0.838 -2.034 -7.015 1.00 0.00 ? 22 LYS B HB3 29 ATOM 40789 H HG2 . LYS B 1 22 ? -1.424 -1.898 -8.219 1.00 0.00 ? 22 LYS B HG2 29 ATOM 40790 H HG3 . LYS B 1 22 ? -0.691 -0.583 -9.139 1.00 0.00 ? 22 LYS B HG3 29 ATOM 40791 H HD2 . LYS B 1 22 ? -0.136 -2.332 -10.494 1.00 0.00 ? 22 LYS B HD2 29 ATOM 40792 H HD3 . LYS B 1 22 ? 1.258 -2.360 -9.412 1.00 0.00 ? 22 LYS B HD3 29 ATOM 40793 H HE2 . LYS B 1 22 ? 0.749 -4.419 -8.757 1.00 0.00 ? 22 LYS B HE2 29 ATOM 40794 H HE3 . LYS B 1 22 ? -0.856 -3.889 -8.252 1.00 0.00 ? 22 LYS B HE3 29 ATOM 40795 H HZ1 . LYS B 1 22 ? -0.837 -4.081 -11.042 1.00 0.00 ? 22 LYS B HZ1 29 ATOM 40796 H HZ2 . LYS B 1 22 ? -0.170 -5.510 -10.430 1.00 0.00 ? 22 LYS B HZ2 29 ATOM 40797 H HZ3 . LYS B 1 22 ? -1.711 -5.016 -9.935 1.00 0.00 ? 22 LYS B HZ3 29 ATOM 40798 N N . GLU B 1 23 ? -1.336 -2.460 -5.205 1.00 0.00 ? 23 GLU B N 29 ATOM 40799 C CA . GLU B 1 23 ? -2.400 -3.365 -4.786 1.00 0.00 ? 23 GLU B CA 29 ATOM 40800 C C . GLU B 1 23 ? -3.437 -2.625 -3.947 1.00 0.00 ? 23 GLU B C 29 ATOM 40801 O O . GLU B 1 23 ? -4.645 -2.781 -4.148 1.00 0.00 ? 23 GLU B O 29 ATOM 40802 C CB . GLU B 1 23 ? -1.820 -4.535 -3.989 1.00 0.00 ? 23 GLU B CB 29 ATOM 40803 C CG . GLU B 1 23 ? -2.446 -5.876 -4.334 1.00 0.00 ? 23 GLU B CG 29 ATOM 40804 C CD . GLU B 1 23 ? -2.816 -6.681 -3.105 1.00 0.00 ? 23 GLU B CD 29 ATOM 40805 O OE1 . GLU B 1 23 ? -3.567 -6.156 -2.255 1.00 0.00 ? 23 GLU B OE1 29 ATOM 40806 O OE2 . GLU B 1 23 ? -2.355 -7.836 -2.990 1.00 0.00 ? 23 GLU B OE2 29 ATOM 40807 H H . GLU B 1 23 ? -0.404 -2.686 -4.997 1.00 0.00 ? 23 GLU B H 29 ATOM 40808 H HA . GLU B 1 23 ? -2.879 -3.747 -5.675 1.00 0.00 ? 23 GLU B HA 29 ATOM 40809 H HB2 . GLU B 1 23 ? -0.759 -4.596 -4.181 1.00 0.00 ? 23 GLU B HB2 29 ATOM 40810 H HB3 . GLU B 1 23 ? -1.976 -4.350 -2.936 1.00 0.00 ? 23 GLU B HB3 29 ATOM 40811 H HG2 . GLU B 1 23 ? -3.341 -5.703 -4.914 1.00 0.00 ? 23 GLU B HG2 29 ATOM 40812 H HG3 . GLU B 1 23 ? -1.742 -6.446 -4.922 1.00 0.00 ? 23 GLU B HG3 29 ATOM 40813 N N . ILE B 1 24 ? -2.962 -1.809 -3.011 1.00 0.00 ? 24 ILE B N 29 ATOM 40814 C CA . ILE B 1 24 ? -3.863 -1.045 -2.155 1.00 0.00 ? 24 ILE B CA 29 ATOM 40815 C C . ILE B 1 24 ? -4.707 -0.099 -3.009 1.00 0.00 ? 24 ILE B C 29 ATOM 40816 O O . ILE B 1 24 ? -5.862 0.182 -2.691 1.00 0.00 ? 24 ILE B O 29 ATOM 40817 C CB . ILE B 1 24 ? -3.107 -0.263 -1.026 1.00 0.00 ? 24 ILE B CB 29 ATOM 40818 C CG1 . ILE B 1 24 ? -2.793 1.189 -1.419 1.00 0.00 ? 24 ILE B CG1 29 ATOM 40819 C CG2 . ILE B 1 24 ? -1.825 -0.980 -0.635 1.00 0.00 ? 24 ILE B CG2 29 ATOM 40820 C CD1 . ILE B 1 24 ? -3.828 2.174 -0.921 1.00 0.00 ? 24 ILE B CD1 29 ATOM 40821 H H . ILE B 1 24 ? -1.993 -1.716 -2.903 1.00 0.00 ? 24 ILE B H 29 ATOM 40822 H HA . ILE B 1 24 ? -4.529 -1.753 -1.680 1.00 0.00 ? 24 ILE B HA 29 ATOM 40823 H HB . ILE B 1 24 ? -3.749 -0.252 -0.156 1.00 0.00 ? 24 ILE B HB 29 ATOM 40824 H HG12 . ILE B 1 24 ? -1.838 1.470 -1.003 1.00 0.00 ? 24 ILE B HG12 29 ATOM 40825 H HG13 . ILE B 1 24 ? -2.750 1.264 -2.495 1.00 0.00 ? 24 ILE B HG13 29 ATOM 40826 H HG21 . ILE B 1 24 ? -1.947 -2.042 -0.778 1.00 0.00 ? 24 ILE B HG21 29 ATOM 40827 H HG22 . ILE B 1 24 ? -1.012 -0.625 -1.252 1.00 0.00 ? 24 ILE B HG22 29 ATOM 40828 H HG23 . ILE B 1 24 ? -1.603 -0.778 0.402 1.00 0.00 ? 24 ILE B HG23 29 ATOM 40829 H HD11 . ILE B 1 24 ? -4.616 1.639 -0.408 1.00 0.00 ? 24 ILE B HD11 29 ATOM 40830 H HD12 . ILE B 1 24 ? -3.362 2.871 -0.241 1.00 0.00 ? 24 ILE B HD12 29 ATOM 40831 H HD13 . ILE B 1 24 ? -4.246 2.712 -1.760 1.00 0.00 ? 24 ILE B HD13 29 ATOM 40832 N N . GLU B 1 25 ? -4.114 0.377 -4.101 1.00 0.00 ? 25 GLU B N 29 ATOM 40833 C CA . GLU B 1 25 ? -4.801 1.279 -5.015 1.00 0.00 ? 25 GLU B CA 29 ATOM 40834 C C . GLU B 1 25 ? -6.053 0.613 -5.567 1.00 0.00 ? 25 GLU B C 29 ATOM 40835 O O . GLU B 1 25 ? -7.120 1.219 -5.619 1.00 0.00 ? 25 GLU B O 29 ATOM 40836 C CB . GLU B 1 25 ? -3.874 1.687 -6.161 1.00 0.00 ? 25 GLU B CB 29 ATOM 40837 C CG . GLU B 1 25 ? -4.211 3.041 -6.763 1.00 0.00 ? 25 GLU B CG 29 ATOM 40838 C CD . GLU B 1 25 ? -4.164 3.033 -8.278 1.00 0.00 ? 25 GLU B CD 29 ATOM 40839 O OE1 . GLU B 1 25 ? -4.799 2.147 -8.888 1.00 0.00 ? 25 GLU B OE1 29 ATOM 40840 O OE2 . GLU B 1 25 ? -3.491 3.913 -8.856 1.00 0.00 ? 25 GLU B OE2 29 ATOM 40841 H H . GLU B 1 25 ? -3.194 0.107 -4.300 1.00 0.00 ? 25 GLU B H 29 ATOM 40842 H HA . GLU B 1 25 ? -5.087 2.160 -4.460 1.00 0.00 ? 25 GLU B HA 29 ATOM 40843 H HB2 . GLU B 1 25 ? -2.859 1.722 -5.794 1.00 0.00 ? 25 GLU B HB2 29 ATOM 40844 H HB3 . GLU B 1 25 ? -3.939 0.944 -6.943 1.00 0.00 ? 25 GLU B HB3 29 ATOM 40845 H HG2 . GLU B 1 25 ? -5.206 3.322 -6.452 1.00 0.00 ? 25 GLU B HG2 29 ATOM 40846 H HG3 . GLU B 1 25 ? -3.501 3.769 -6.399 1.00 0.00 ? 25 GLU B HG3 29 ATOM 40847 N N . ARG B 1 26 ? -5.919 -0.646 -5.965 1.00 0.00 ? 26 ARG B N 29 ATOM 40848 C CA . ARG B 1 26 ? -7.048 -1.393 -6.495 1.00 0.00 ? 26 ARG B CA 29 ATOM 40849 C C . ARG B 1 26 ? -8.143 -1.499 -5.440 1.00 0.00 ? 26 ARG B C 29 ATOM 40850 O O . ARG B 1 26 ? -9.336 -1.415 -5.749 1.00 0.00 ? 26 ARG B O 29 ATOM 40851 C CB . ARG B 1 26 ? -6.606 -2.790 -6.936 1.00 0.00 ? 26 ARG B CB 29 ATOM 40852 C CG . ARG B 1 26 ? -7.748 -3.660 -7.437 1.00 0.00 ? 26 ARG B CG 29 ATOM 40853 C CD . ARG B 1 26 ? -7.290 -5.086 -7.693 1.00 0.00 ? 26 ARG B CD 29 ATOM 40854 N NE . ARG B 1 26 ? -7.698 -5.993 -6.624 1.00 0.00 ? 26 ARG B NE 29 ATOM 40855 C CZ . ARG B 1 26 ? -8.926 -6.490 -6.509 1.00 0.00 ? 26 ARG B CZ 29 ATOM 40856 N NH1 . ARG B 1 26 ? -9.860 -6.167 -7.393 1.00 0.00 ? 26 ARG B NH1 29 ATOM 40857 N NH2 . ARG B 1 26 ? -9.220 -7.310 -5.509 1.00 0.00 ? 26 ARG B NH2 29 ATOM 40858 H H . ARG B 1 26 ? -5.045 -1.084 -5.890 1.00 0.00 ? 26 ARG B H 29 ATOM 40859 H HA . ARG B 1 26 ? -7.434 -0.856 -7.348 1.00 0.00 ? 26 ARG B HA 29 ATOM 40860 H HB2 . ARG B 1 26 ? -5.882 -2.691 -7.731 1.00 0.00 ? 26 ARG B HB2 29 ATOM 40861 H HB3 . ARG B 1 26 ? -6.143 -3.290 -6.098 1.00 0.00 ? 26 ARG B HB3 29 ATOM 40862 H HG2 . ARG B 1 26 ? -8.531 -3.672 -6.693 1.00 0.00 ? 26 ARG B HG2 29 ATOM 40863 H HG3 . ARG B 1 26 ? -8.128 -3.243 -8.357 1.00 0.00 ? 26 ARG B HG3 29 ATOM 40864 H HD2 . ARG B 1 26 ? -7.719 -5.428 -8.623 1.00 0.00 ? 26 ARG B HD2 29 ATOM 40865 H HD3 . ARG B 1 26 ? -6.212 -5.097 -7.769 1.00 0.00 ? 26 ARG B HD3 29 ATOM 40866 H HE . ARG B 1 26 ? -7.024 -6.244 -5.959 1.00 0.00 ? 26 ARG B HE 29 ATOM 40867 H HH11 . ARG B 1 26 ? -9.641 -5.549 -8.148 1.00 0.00 ? 26 ARG B HH11 29 ATOM 40868 H HH12 . ARG B 1 26 ? -10.783 -6.542 -7.305 1.00 0.00 ? 26 ARG B HH12 29 ATOM 40869 H HH21 . ARG B 1 26 ? -8.519 -7.556 -4.841 1.00 0.00 ? 26 ARG B HH21 29 ATOM 40870 H HH22 . ARG B 1 26 ? -10.144 -7.683 -5.424 1.00 0.00 ? 26 ARG B HH22 29 ATOM 40871 N N . HIS B 1 27 ? -7.728 -1.673 -4.188 1.00 0.00 ? 27 HIS B N 29 ATOM 40872 C CA . HIS B 1 27 ? -8.670 -1.780 -3.087 1.00 0.00 ? 27 HIS B CA 29 ATOM 40873 C C . HIS B 1 27 ? -9.328 -0.432 -2.810 1.00 0.00 ? 27 HIS B C 29 ATOM 40874 O O . HIS B 1 27 ? -10.424 -0.372 -2.250 1.00 0.00 ? 27 HIS B O 29 ATOM 40875 C CB . HIS B 1 27 ? -7.960 -2.291 -1.832 1.00 0.00 ? 27 HIS B CB 29 ATOM 40876 C CG . HIS B 1 27 ? -8.470 -3.614 -1.355 1.00 0.00 ? 27 HIS B CG 29 ATOM 40877 N ND1 . HIS B 1 27 ? -9.684 -3.770 -0.718 1.00 0.00 ? 27 HIS B ND1 29 ATOM 40878 C CD2 . HIS B 1 27 ? -7.925 -4.852 -1.429 1.00 0.00 ? 27 HIS B CD2 29 ATOM 40879 C CE1 . HIS B 1 27 ? -9.862 -5.045 -0.420 1.00 0.00 ? 27 HIS B CE1 29 ATOM 40880 N NE2 . HIS B 1 27 ? -8.810 -5.721 -0.841 1.00 0.00 ? 27 HIS B NE2 29 ATOM 40881 H H . HIS B 1 27 ? -6.765 -1.722 -3.999 1.00 0.00 ? 27 HIS B H 29 ATOM 40882 H HA . HIS B 1 27 ? -9.434 -2.488 -3.371 1.00 0.00 ? 27 HIS B HA 29 ATOM 40883 H HB2 . HIS B 1 27 ? -6.907 -2.397 -2.041 1.00 0.00 ? 27 HIS B HB2 29 ATOM 40884 H HB3 . HIS B 1 27 ? -8.093 -1.575 -1.035 1.00 0.00 ? 27 HIS B HB3 29 ATOM 40885 H HD1 . HIS B 1 27 ? -10.320 -3.052 -0.515 1.00 0.00 ? 27 HIS B HD1 29 ATOM 40886 H HD2 . HIS B 1 27 ? -6.972 -5.108 -1.870 1.00 0.00 ? 27 HIS B HD2 29 ATOM 40887 H HE1 . HIS B 1 27 ? -10.723 -5.462 0.082 1.00 0.00 ? 27 HIS B HE1 29 ATOM 40888 H HE2 . HIS B 1 27 ? -8.683 -6.688 -0.748 1.00 0.00 ? 27 HIS B HE2 29 ATOM 40889 N N . LYS B 1 28 ? -8.659 0.649 -3.207 1.00 0.00 ? 28 LYS B N 29 ATOM 40890 C CA . LYS B 1 28 ? -9.194 1.988 -2.998 1.00 0.00 ? 28 LYS B CA 29 ATOM 40891 C C . LYS B 1 28 ? -10.266 2.305 -4.038 1.00 0.00 ? 28 LYS B C 29 ATOM 40892 O O . LYS B 1 28 ? -11.178 3.090 -3.786 1.00 0.00 ? 28 LYS B O 29 ATOM 40893 C CB . LYS B 1 28 ? -8.068 3.038 -3.022 1.00 0.00 ? 28 LYS B CB 29 ATOM 40894 C CG . LYS B 1 28 ? -7.678 3.534 -4.412 1.00 0.00 ? 28 LYS B CG 29 ATOM 40895 C CD . LYS B 1 28 ? -7.927 5.027 -4.558 1.00 0.00 ? 28 LYS B CD 29 ATOM 40896 C CE . LYS B 1 28 ? -7.540 5.523 -5.942 1.00 0.00 ? 28 LYS B CE 29 ATOM 40897 N NZ . LYS B 1 28 ? -6.612 6.686 -5.876 1.00 0.00 ? 28 LYS B NZ 29 ATOM 40898 H H . LYS B 1 28 ? -7.792 0.543 -3.650 1.00 0.00 ? 28 LYS B H 29 ATOM 40899 H HA . LYS B 1 28 ? -9.655 1.999 -2.025 1.00 0.00 ? 28 LYS B HA 29 ATOM 40900 H HB2 . LYS B 1 28 ? -8.382 3.892 -2.442 1.00 0.00 ? 28 LYS B HB2 29 ATOM 40901 H HB3 . LYS B 1 28 ? -7.191 2.610 -2.560 1.00 0.00 ? 28 LYS B HB3 29 ATOM 40902 H HG2 . LYS B 1 28 ? -6.628 3.340 -4.569 1.00 0.00 ? 28 LYS B HG2 29 ATOM 40903 H HG3 . LYS B 1 28 ? -8.257 3.008 -5.153 1.00 0.00 ? 28 LYS B HG3 29 ATOM 40904 H HD2 . LYS B 1 28 ? -8.977 5.224 -4.397 1.00 0.00 ? 28 LYS B HD2 29 ATOM 40905 H HD3 . LYS B 1 28 ? -7.342 5.554 -3.820 1.00 0.00 ? 28 LYS B HD3 29 ATOM 40906 H HE2 . LYS B 1 28 ? -7.057 4.719 -6.477 1.00 0.00 ? 28 LYS B HE2 29 ATOM 40907 H HE3 . LYS B 1 28 ? -8.436 5.817 -6.469 1.00 0.00 ? 28 LYS B HE3 29 ATOM 40908 H HZ1 . LYS B 1 28 ? -7.018 7.433 -5.279 1.00 0.00 ? 28 LYS B HZ1 29 ATOM 40909 H HZ2 . LYS B 1 28 ? -5.699 6.393 -5.473 1.00 0.00 ? 28 LYS B HZ2 29 ATOM 40910 H HZ3 . LYS B 1 28 ? -6.450 7.068 -6.830 1.00 0.00 ? 28 LYS B HZ3 29 ATOM 40911 N N . GLN B 1 29 ? -10.147 1.678 -5.203 1.00 0.00 ? 29 GLN B N 29 ATOM 40912 C CA . GLN B 1 29 ? -11.107 1.880 -6.279 1.00 0.00 ? 29 GLN B CA 29 ATOM 40913 C C . GLN B 1 29 ? -12.425 1.193 -5.945 1.00 0.00 ? 29 GLN B C 29 ATOM 40914 O O . GLN B 1 29 ? -13.500 1.760 -6.139 1.00 0.00 ? 29 GLN B O 29 ATOM 40915 C CB . GLN B 1 29 ? -10.553 1.340 -7.598 1.00 0.00 ? 29 GLN B CB 29 ATOM 40916 C CG . GLN B 1 29 ? -11.450 1.614 -8.793 1.00 0.00 ? 29 GLN B CG 29 ATOM 40917 C CD . GLN B 1 29 ? -10.914 1.012 -10.076 1.00 0.00 ? 29 GLN B CD 29 ATOM 40918 O OE1 . GLN B 1 29 ? -10.651 1.722 -11.047 1.00 0.00 ? 29 GLN B OE1 29 ATOM 40919 N NE2 . GLN B 1 29 ? -10.749 -0.306 -10.088 1.00 0.00 ? 29 GLN B NE2 29 ATOM 40920 H H . GLN B 1 29 ? -9.399 1.058 -5.340 1.00 0.00 ? 29 GLN B H 29 ATOM 40921 H HA . GLN B 1 29 ? -11.281 2.941 -6.376 1.00 0.00 ? 29 GLN B HA 29 ATOM 40922 H HB2 . GLN B 1 29 ? -9.592 1.794 -7.785 1.00 0.00 ? 29 GLN B HB2 29 ATOM 40923 H HB3 . GLN B 1 29 ? -10.424 0.271 -7.511 1.00 0.00 ? 29 GLN B HB3 29 ATOM 40924 H HG2 . GLN B 1 29 ? -12.427 1.195 -8.598 1.00 0.00 ? 29 GLN B HG2 29 ATOM 40925 H HG3 . GLN B 1 29 ? -11.538 2.683 -8.923 1.00 0.00 ? 29 GLN B HG3 29 ATOM 40926 H HE21 . GLN B 1 29 ? -10.979 -0.809 -9.279 1.00 0.00 ? 29 GLN B HE21 29 ATOM 40927 H HE22 . GLN B 1 29 ? -10.403 -0.722 -10.905 1.00 0.00 ? 29 GLN B HE22 29 ATOM 40928 N N . SER B 1 30 ? -12.331 -0.032 -5.435 1.00 0.00 ? 30 SER B N 29 ATOM 40929 C CA . SER B 1 30 ? -13.519 -0.795 -5.066 1.00 0.00 ? 30 SER B CA 29 ATOM 40930 C C . SER B 1 30 ? -14.242 -0.138 -3.893 1.00 0.00 ? 30 SER B C 29 ATOM 40931 O O . SER B 1 30 ? -15.460 0.043 -3.924 1.00 0.00 ? 30 SER B O 29 ATOM 40932 C CB . SER B 1 30 ? -13.136 -2.232 -4.704 1.00 0.00 ? 30 SER B CB 29 ATOM 40933 O OG . SER B 1 30 ? -12.380 -2.272 -3.506 1.00 0.00 ? 30 SER B OG 29 ATOM 40934 H H . SER B 1 30 ? -11.443 -0.431 -5.301 1.00 0.00 ? 30 SER B H 29 ATOM 40935 H HA . SER B 1 30 ? -14.181 -0.812 -5.919 1.00 0.00 ? 30 SER B HA 29 ATOM 40936 H HB2 . SER B 1 30 ? -14.033 -2.818 -4.567 1.00 0.00 ? 30 SER B HB2 29 ATOM 40937 H HB3 . SER B 1 30 ? -12.546 -2.657 -5.503 1.00 0.00 ? 30 SER B HB3 29 ATOM 40938 H HG . SER B 1 30 ? -12.204 -3.186 -3.269 1.00 0.00 ? 30 SER B HG 29 ATOM 40939 N N . ILE B 1 31 ? -13.483 0.220 -2.861 1.00 0.00 ? 31 ILE B N 29 ATOM 40940 C CA . ILE B 1 31 ? -14.048 0.860 -1.677 1.00 0.00 ? 31 ILE B CA 29 ATOM 40941 C C . ILE B 1 31 ? -14.514 2.278 -1.991 1.00 0.00 ? 31 ILE B C 29 ATOM 40942 O O . ILE B 1 31 ? -15.392 2.816 -1.317 1.00 0.00 ? 31 ILE B O 29 ATOM 40943 C CB . ILE B 1 31 ? -13.023 0.906 -0.529 1.00 0.00 ? 31 ILE B CB 29 ATOM 40944 C CG1 . ILE B 1 31 ? -13.613 1.568 0.714 1.00 0.00 ? 31 ILE B CG1 29 ATOM 40945 C CG2 . ILE B 1 31 ? -11.775 1.653 -0.965 1.00 0.00 ? 31 ILE B CG2 29 ATOM 40946 C CD1 . ILE B 1 31 ? -14.612 0.705 1.444 1.00 0.00 ? 31 ILE B CD1 29 ATOM 40947 H H . ILE B 1 31 ? -12.517 0.050 -2.898 1.00 0.00 ? 31 ILE B H 29 ATOM 40948 H HA . ILE B 1 31 ? -14.897 0.275 -1.353 1.00 0.00 ? 31 ILE B HA 29 ATOM 40949 H HB . ILE B 1 31 ? -12.745 -0.111 -0.288 1.00 0.00 ? 31 ILE B HB 29 ATOM 40950 H HG12 . ILE B 1 31 ? -12.811 1.797 1.402 1.00 0.00 ? 31 ILE B HG12 29 ATOM 40951 H HG13 . ILE B 1 31 ? -14.109 2.484 0.426 1.00 0.00 ? 31 ILE B HG13 29 ATOM 40952 H HG21 . ILE B 1 31 ? -11.587 1.468 -2.012 1.00 0.00 ? 31 ILE B HG21 29 ATOM 40953 H HG22 . ILE B 1 31 ? -11.919 2.712 -0.808 1.00 0.00 ? 31 ILE B HG22 29 ATOM 40954 H HG23 . ILE B 1 31 ? -10.933 1.316 -0.384 1.00 0.00 ? 31 ILE B HG23 29 ATOM 40955 H HD11 . ILE B 1 31 ? -15.258 0.218 0.730 1.00 0.00 ? 31 ILE B HD11 29 ATOM 40956 H HD12 . ILE B 1 31 ? -14.083 -0.041 2.020 1.00 0.00 ? 31 ILE B HD12 29 ATOM 40957 H HD13 . ILE B 1 31 ? -15.203 1.319 2.106 1.00 0.00 ? 31 ILE B HD13 29 ATOM 40958 N N . LYS B 1 32 ? -13.921 2.875 -3.020 1.00 0.00 ? 32 LYS B N 29 ATOM 40959 C CA . LYS B 1 32 ? -14.279 4.229 -3.427 1.00 0.00 ? 32 LYS B CA 29 ATOM 40960 C C . LYS B 1 32 ? -15.570 4.225 -4.236 1.00 0.00 ? 32 LYS B C 29 ATOM 40961 O O . LYS B 1 32 ? -16.292 5.221 -4.277 1.00 0.00 ? 32 LYS B O 29 ATOM 40962 C CB . LYS B 1 32 ? -13.148 4.854 -4.246 1.00 0.00 ? 32 LYS B CB 29 ATOM 40963 C CG . LYS B 1 32 ? -13.501 6.213 -4.829 1.00 0.00 ? 32 LYS B CG 29 ATOM 40964 C CD . LYS B 1 32 ? -12.362 7.204 -4.660 1.00 0.00 ? 32 LYS B CD 29 ATOM 40965 C CE . LYS B 1 32 ? -12.102 7.508 -3.193 1.00 0.00 ? 32 LYS B CE 29 ATOM 40966 N NZ . LYS B 1 32 ? -11.105 8.600 -3.020 1.00 0.00 ? 32 LYS B NZ 29 ATOM 40967 H H . LYS B 1 32 ? -13.230 2.393 -3.519 1.00 0.00 ? 32 LYS B H 29 ATOM 40968 H HA . LYS B 1 32 ? -14.431 4.814 -2.532 1.00 0.00 ? 32 LYS B HA 29 ATOM 40969 H HB2 . LYS B 1 32 ? -12.282 4.973 -3.612 1.00 0.00 ? 32 LYS B HB2 29 ATOM 40970 H HB3 . LYS B 1 32 ? -12.900 4.190 -5.060 1.00 0.00 ? 32 LYS B HB3 29 ATOM 40971 H HG2 . LYS B 1 32 ? -13.710 6.098 -5.883 1.00 0.00 ? 32 LYS B HG2 29 ATOM 40972 H HG3 . LYS B 1 32 ? -14.376 6.594 -4.326 1.00 0.00 ? 32 LYS B HG3 29 ATOM 40973 H HD2 . LYS B 1 32 ? -11.465 6.787 -5.094 1.00 0.00 ? 32 LYS B HD2 29 ATOM 40974 H HD3 . LYS B 1 32 ? -12.617 8.122 -5.169 1.00 0.00 ? 32 LYS B HD3 29 ATOM 40975 H HE2 . LYS B 1 32 ? -13.031 7.804 -2.730 1.00 0.00 ? 32 LYS B HE2 29 ATOM 40976 H HE3 . LYS B 1 32 ? -11.731 6.614 -2.713 1.00 0.00 ? 32 LYS B HE3 29 ATOM 40977 H HZ1 . LYS B 1 32 ? -11.337 9.398 -3.645 1.00 0.00 ? 32 LYS B HZ1 29 ATOM 40978 H HZ2 . LYS B 1 32 ? -11.108 8.934 -2.035 1.00 0.00 ? 32 LYS B HZ2 29 ATOM 40979 H HZ3 . LYS B 1 32 ? -10.153 8.256 -3.254 1.00 0.00 ? 32 LYS B HZ3 29 ATOM 40980 N N . LYS B 1 33 ? -15.857 3.097 -4.877 1.00 0.00 ? 33 LYS B N 29 ATOM 40981 C CA . LYS B 1 33 ? -17.065 2.962 -5.681 1.00 0.00 ? 33 LYS B CA 29 ATOM 40982 C C . LYS B 1 33 ? -18.282 2.757 -4.788 1.00 0.00 ? 33 LYS B C 29 ATOM 40983 O O . LYS B 1 33 ? -19.336 3.353 -5.009 1.00 0.00 ? 33 LYS B O 29 ATOM 40984 C CB . LYS B 1 33 ? -16.929 1.791 -6.656 1.00 0.00 ? 33 LYS B CB 29 ATOM 40985 C CG . LYS B 1 33 ? -16.112 2.122 -7.894 1.00 0.00 ? 33 LYS B CG 29 ATOM 40986 C CD . LYS B 1 33 ? -16.628 1.381 -9.117 1.00 0.00 ? 33 LYS B CD 29 ATOM 40987 C CE . LYS B 1 33 ? -15.582 0.431 -9.676 1.00 0.00 ? 33 LYS B CE 29 ATOM 40988 N NZ . LYS B 1 33 ? -15.557 0.444 -11.164 1.00 0.00 ? 33 LYS B NZ 29 ATOM 40989 H H . LYS B 1 33 ? -15.244 2.335 -4.804 1.00 0.00 ? 33 LYS B H 29 ATOM 40990 H HA . LYS B 1 33 ? -17.194 3.875 -6.242 1.00 0.00 ? 33 LYS B HA 29 ATOM 40991 H HB2 . LYS B 1 33 ? -16.451 0.967 -6.146 1.00 0.00 ? 33 LYS B HB2 29 ATOM 40992 H HB3 . LYS B 1 33 ? -17.914 1.485 -6.972 1.00 0.00 ? 33 LYS B HB3 29 ATOM 40993 H HG2 . LYS B 1 33 ? -16.170 3.184 -8.078 1.00 0.00 ? 33 LYS B HG2 29 ATOM 40994 H HG3 . LYS B 1 33 ? -15.083 1.840 -7.721 1.00 0.00 ? 33 LYS B HG3 29 ATOM 40995 H HD2 . LYS B 1 33 ? -17.503 0.813 -8.838 1.00 0.00 ? 33 LYS B HD2 29 ATOM 40996 H HD3 . LYS B 1 33 ? -16.891 2.102 -9.878 1.00 0.00 ? 33 LYS B HD3 29 ATOM 40997 H HE2 . LYS B 1 33 ? -14.611 0.726 -9.306 1.00 0.00 ? 33 LYS B HE2 29 ATOM 40998 H HE3 . LYS B 1 33 ? -15.805 -0.570 -9.336 1.00 0.00 ? 33 LYS B HE3 29 ATOM 40999 H HZ1 . LYS B 1 33 ? -16.512 0.622 -11.536 1.00 0.00 ? 33 LYS B HZ1 29 ATOM 41000 H HZ2 . LYS B 1 33 ? -14.921 1.193 -11.504 1.00 0.00 ? 33 LYS B HZ2 29 ATOM 41001 H HZ3 . LYS B 1 33 ? -15.220 -0.472 -11.524 1.00 0.00 ? 33 LYS B HZ3 29 ATOM 41002 N N . LEU B 1 34 ? -18.128 1.912 -3.773 1.00 0.00 ? 34 LEU B N 29 ATOM 41003 C CA . LEU B 1 34 ? -19.212 1.631 -2.841 1.00 0.00 ? 34 LEU B CA 29 ATOM 41004 C C . LEU B 1 34 ? -19.498 2.845 -1.964 1.00 0.00 ? 34 LEU B C 29 ATOM 41005 O O . LEU B 1 34 ? -20.647 3.111 -1.609 1.00 0.00 ? 34 LEU B O 29 ATOM 41006 C CB . LEU B 1 34 ? -18.864 0.424 -1.967 1.00 0.00 ? 34 LEU B CB 29 ATOM 41007 C CG . LEU B 1 34 ? -19.605 -0.866 -2.322 1.00 0.00 ? 34 LEU B CG 29 ATOM 41008 C CD1 . LEU B 1 34 ? -18.882 -2.072 -1.741 1.00 0.00 ? 34 LEU B CD1 29 ATOM 41009 C CD2 . LEU B 1 34 ? -21.040 -0.811 -1.822 1.00 0.00 ? 34 LEU B CD2 29 ATOM 41010 H H . LEU B 1 34 ? -17.261 1.470 -3.646 1.00 0.00 ? 34 LEU B H 29 ATOM 41011 H HA . LEU B 1 34 ? -20.095 1.404 -3.419 1.00 0.00 ? 34 LEU B HA 29 ATOM 41012 H HB2 . LEU B 1 34 ? -17.803 0.241 -2.050 1.00 0.00 ? 34 LEU B HB2 29 ATOM 41013 H HB3 . LEU B 1 34 ? -19.092 0.673 -0.941 1.00 0.00 ? 34 LEU B HB3 29 ATOM 41014 H HG . LEU B 1 34 ? -19.627 -0.977 -3.397 1.00 0.00 ? 34 LEU B HG 29 ATOM 41015 H HD11 . LEU B 1 34 ? -18.723 -1.921 -0.684 1.00 0.00 ? 34 LEU B HD11 29 ATOM 41016 H HD12 . LEU B 1 34 ? -19.482 -2.958 -1.892 1.00 0.00 ? 34 LEU B HD12 29 ATOM 41017 H HD13 . LEU B 1 34 ? -17.930 -2.194 -2.235 1.00 0.00 ? 34 LEU B HD13 29 ATOM 41018 H HD21 . LEU B 1 34 ? -21.284 0.203 -1.538 1.00 0.00 ? 34 LEU B HD21 29 ATOM 41019 H HD22 . LEU B 1 34 ? -21.708 -1.134 -2.607 1.00 0.00 ? 34 LEU B HD22 29 ATOM 41020 H HD23 . LEU B 1 34 ? -21.149 -1.460 -0.966 1.00 0.00 ? 34 LEU B HD23 29 ATOM 41021 N N . LYS B 1 35 ? -18.446 3.582 -1.621 1.00 0.00 ? 35 LYS B N 29 ATOM 41022 C CA . LYS B 1 35 ? -18.586 4.772 -0.790 1.00 0.00 ? 35 LYS B CA 29 ATOM 41023 C C . LYS B 1 35 ? -19.196 5.918 -1.588 1.00 0.00 ? 35 LYS B C 29 ATOM 41024 O O . LYS B 1 35 ? -19.979 6.708 -1.062 1.00 0.00 ? 35 LYS B O 29 ATOM 41025 C CB . LYS B 1 35 ? -17.227 5.192 -0.228 1.00 0.00 ? 35 LYS B CB 29 ATOM 41026 C CG . LYS B 1 35 ? -16.835 4.448 1.037 1.00 0.00 ? 35 LYS B CG 29 ATOM 41027 C CD . LYS B 1 35 ? -15.779 5.207 1.824 1.00 0.00 ? 35 LYS B CD 29 ATOM 41028 C CE . LYS B 1 35 ? -14.908 4.266 2.640 1.00 0.00 ? 35 LYS B CE 29 ATOM 41029 N NZ . LYS B 1 35 ? -15.311 4.238 4.074 1.00 0.00 ? 35 LYS B NZ 29 ATOM 41030 H H . LYS B 1 35 ? -17.555 3.322 -1.937 1.00 0.00 ? 35 LYS B H 29 ATOM 41031 H HA . LYS B 1 35 ? -19.246 4.529 0.030 1.00 0.00 ? 35 LYS B HA 29 ATOM 41032 H HB2 . LYS B 1 35 ? -16.470 5.010 -0.977 1.00 0.00 ? 35 LYS B HB2 29 ATOM 41033 H HB3 . LYS B 1 35 ? -17.253 6.248 -0.006 1.00 0.00 ? 35 LYS B HB3 29 ATOM 41034 H HG2 . LYS B 1 35 ? -17.711 4.323 1.657 1.00 0.00 ? 35 LYS B HG2 29 ATOM 41035 H HG3 . LYS B 1 35 ? -16.442 3.479 0.766 1.00 0.00 ? 35 LYS B HG3 29 ATOM 41036 H HD2 . LYS B 1 35 ? -15.154 5.753 1.135 1.00 0.00 ? 35 LYS B HD2 29 ATOM 41037 H HD3 . LYS B 1 35 ? -16.271 5.899 2.493 1.00 0.00 ? 35 LYS B HD3 29 ATOM 41038 H HE2 . LYS B 1 35 ? -14.996 3.270 2.233 1.00 0.00 ? 35 LYS B HE2 29 ATOM 41039 H HE3 . LYS B 1 35 ? -13.882 4.595 2.571 1.00 0.00 ? 35 LYS B HE3 29 ATOM 41040 H HZ1 . LYS B 1 35 ? -16.340 4.098 4.154 1.00 0.00 ? 35 LYS B HZ1 29 ATOM 41041 H HZ2 . LYS B 1 35 ? -14.828 3.460 4.566 1.00 0.00 ? 35 LYS B HZ2 29 ATOM 41042 H HZ3 . LYS B 1 35 ? -15.059 5.136 4.534 1.00 0.00 ? 35 LYS B HZ3 29 ATOM 41043 N N . GLN B 1 36 ? -18.831 5.999 -2.863 1.00 0.00 ? 36 GLN B N 29 ATOM 41044 C CA . GLN B 1 36 ? -19.342 7.046 -3.739 1.00 0.00 ? 36 GLN B CA 29 ATOM 41045 C C . GLN B 1 36 ? -20.821 6.828 -4.034 1.00 0.00 ? 36 GLN B C 29 ATOM 41046 O O . GLN B 1 36 ? -21.563 7.780 -4.280 1.00 0.00 ? 36 GLN B O 29 ATOM 41047 C CB . GLN B 1 36 ? -18.548 7.081 -5.046 1.00 0.00 ? 36 GLN B CB 29 ATOM 41048 C CG . GLN B 1 36 ? -18.810 8.322 -5.885 1.00 0.00 ? 36 GLN B CG 29 ATOM 41049 C CD . GLN B 1 36 ? -17.809 8.487 -7.010 1.00 0.00 ? 36 GLN B CD 29 ATOM 41050 O OE1 . GLN B 1 36 ? -18.132 8.278 -8.180 1.00 0.00 ? 36 GLN B OE1 29 ATOM 41051 N NE2 . GLN B 1 36 ? -16.585 8.864 -6.661 1.00 0.00 ? 36 GLN B NE2 29 ATOM 41052 H H . GLN B 1 36 ? -18.204 5.338 -3.224 1.00 0.00 ? 36 GLN B H 29 ATOM 41053 H HA . GLN B 1 36 ? -19.223 7.991 -3.230 1.00 0.00 ? 36 GLN B HA 29 ATOM 41054 H HB2 . GLN B 1 36 ? -17.493 7.046 -4.814 1.00 0.00 ? 36 GLN B HB2 29 ATOM 41055 H HB3 . GLN B 1 36 ? -18.808 6.214 -5.634 1.00 0.00 ? 36 GLN B HB3 29 ATOM 41056 H HG2 . GLN B 1 36 ? -19.800 8.249 -6.312 1.00 0.00 ? 36 GLN B HG2 29 ATOM 41057 H HG3 . GLN B 1 36 ? -18.759 9.190 -5.245 1.00 0.00 ? 36 GLN B HG3 29 ATOM 41058 H HE21 . GLN B 1 36 ? -16.399 9.012 -5.711 1.00 0.00 ? 36 GLN B HE21 29 ATOM 41059 H HE22 . GLN B 1 36 ? -15.916 8.979 -7.370 1.00 0.00 ? 36 GLN B HE22 29 ATOM 41060 N N . SER B 1 37 ? -21.245 5.568 -4.006 1.00 0.00 ? 37 SER B N 29 ATOM 41061 C CA . SER B 1 37 ? -22.637 5.225 -4.268 1.00 0.00 ? 37 SER B CA 29 ATOM 41062 C C . SER B 1 37 ? -23.537 5.701 -3.132 1.00 0.00 ? 37 SER B C 29 ATOM 41063 O O . SER B 1 37 ? -24.725 5.953 -3.331 1.00 0.00 ? 37 SER B O 29 ATOM 41064 C CB . SER B 1 37 ? -22.786 3.714 -4.452 1.00 0.00 ? 37 SER B CB 29 ATOM 41065 O OG . SER B 1 37 ? -21.903 3.232 -5.450 1.00 0.00 ? 37 SER B OG 29 ATOM 41066 H H . SER B 1 37 ? -20.606 4.853 -3.802 1.00 0.00 ? 37 SER B H 29 ATOM 41067 H HA . SER B 1 37 ? -22.935 5.721 -5.179 1.00 0.00 ? 37 SER B HA 29 ATOM 41068 H HB2 . SER B 1 37 ? -22.562 3.216 -3.520 1.00 0.00 ? 37 SER B HB2 29 ATOM 41069 H HB3 . SER B 1 37 ? -23.801 3.487 -4.746 1.00 0.00 ? 37 SER B HB3 29 ATOM 41070 H HG . SER B 1 37 ? -21.373 2.517 -5.090 1.00 0.00 ? 37 SER B HG 29 ATOM 41071 N N . GLU B 1 38 ? -22.961 5.824 -1.940 1.00 0.00 ? 38 GLU B N 29 ATOM 41072 C CA . GLU B 1 38 ? -23.711 6.271 -0.771 1.00 0.00 ? 38 GLU B CA 29 ATOM 41073 C C . GLU B 1 38 ? -23.780 7.794 -0.720 1.00 0.00 ? 38 GLU B C 29 ATOM 41074 O O . GLU B 1 38 ? -24.704 8.365 -0.140 1.00 0.00 ? 38 GLU B O 29 ATOM 41075 C CB . GLU B 1 38 ? -23.068 5.736 0.509 1.00 0.00 ? 38 GLU B CB 29 ATOM 41076 C CG . GLU B 1 38 ? -23.852 6.069 1.769 1.00 0.00 ? 38 GLU B CG 29 ATOM 41077 C CD . GLU B 1 38 ? -22.983 6.678 2.851 1.00 0.00 ? 38 GLU B CD 29 ATOM 41078 O OE1 . GLU B 1 38 ? -21.928 7.255 2.511 1.00 0.00 ? 38 GLU B OE1 29 ATOM 41079 O OE2 . GLU B 1 38 ? -23.356 6.578 4.039 1.00 0.00 ? 38 GLU B OE2 29 ATOM 41080 H H . GLU B 1 38 ? -22.009 5.609 -1.844 1.00 0.00 ? 38 GLU B H 29 ATOM 41081 H HA . GLU B 1 38 ? -24.714 5.880 -0.852 1.00 0.00 ? 38 GLU B HA 29 ATOM 41082 H HB2 . GLU B 1 38 ? -22.987 4.661 0.435 1.00 0.00 ? 38 GLU B HB2 29 ATOM 41083 H HB3 . GLU B 1 38 ? -22.078 6.156 0.605 1.00 0.00 ? 38 GLU B HB3 29 ATOM 41084 H HG2 . GLU B 1 38 ? -24.631 6.772 1.516 1.00 0.00 ? 38 GLU B HG2 29 ATOM 41085 H HG3 . GLU B 1 38 ? -24.296 5.162 2.151 1.00 0.00 ? 38 GLU B HG3 29 ATOM 41086 N N . ASP B 1 39 ? -22.797 8.447 -1.331 1.00 0.00 ? 39 ASP B N 29 ATOM 41087 C CA . ASP B 1 39 ? -22.745 9.904 -1.354 1.00 0.00 ? 39 ASP B CA 29 ATOM 41088 C C . ASP B 1 39 ? -23.560 10.462 -2.518 1.00 0.00 ? 39 ASP B C 29 ATOM 41089 O O . ASP B 1 39 ? -24.004 11.610 -2.483 1.00 0.00 ? 39 ASP B O 29 ATOM 41090 C CB . ASP B 1 39 ? -21.295 10.382 -1.458 1.00 0.00 ? 39 ASP B CB 29 ATOM 41091 C CG . ASP B 1 39 ? -20.798 11.004 -0.167 1.00 0.00 ? 39 ASP B CG 29 ATOM 41092 O OD1 . ASP B 1 39 ? -21.508 10.896 0.856 1.00 0.00 ? 39 ASP B OD1 29 ATOM 41093 O OD2 . ASP B 1 39 ? -19.699 11.597 -0.178 1.00 0.00 ? 39 ASP B OD2 29 ATOM 41094 H H . ASP B 1 39 ? -22.089 7.937 -1.776 1.00 0.00 ? 39 ASP B H 29 ATOM 41095 H HA . ASP B 1 39 ? -23.168 10.266 -0.429 1.00 0.00 ? 39 ASP B HA 29 ATOM 41096 H HB2 . ASP B 1 39 ? -20.662 9.542 -1.698 1.00 0.00 ? 39 ASP B HB2 29 ATOM 41097 H HB3 . ASP B 1 39 ? -21.221 11.120 -2.243 1.00 0.00 ? 39 ASP B HB3 29 ATOM 41098 N N . ASP B 1 40 ? -23.753 9.644 -3.548 1.00 0.00 ? 40 ASP B N 29 ATOM 41099 C CA . ASP B 1 40 ? -24.514 10.059 -4.722 1.00 0.00 ? 40 ASP B CA 29 ATOM 41100 C C . ASP B 1 40 ? -25.852 10.671 -4.318 1.00 0.00 ? 40 ASP B C 29 ATOM 41101 O O . ASP B 1 40 ? -26.805 9.957 -4.007 1.00 0.00 ? 40 ASP B O 29 ATOM 41102 C CB . ASP B 1 40 ? -24.748 8.866 -5.651 1.00 0.00 ? 40 ASP B CB 29 ATOM 41103 C CG . ASP B 1 40 ? -24.493 9.208 -7.106 1.00 0.00 ? 40 ASP B CG 29 ATOM 41104 O OD1 . ASP B 1 40 ? -23.500 9.912 -7.385 1.00 0.00 ? 40 ASP B OD1 29 ATOM 41105 O OD2 . ASP B 1 40 ? -25.287 8.772 -7.966 1.00 0.00 ? 40 ASP B OD2 29 ATOM 41106 H H . ASP B 1 40 ? -23.375 8.741 -3.520 1.00 0.00 ? 40 ASP B H 29 ATOM 41107 H HA . ASP B 1 40 ? -23.935 10.804 -5.246 1.00 0.00 ? 40 ASP B HA 29 ATOM 41108 H HB2 . ASP B 1 40 ? -24.085 8.062 -5.369 1.00 0.00 ? 40 ASP B HB2 29 ATOM 41109 H HB3 . ASP B 1 40 ? -25.772 8.535 -5.551 1.00 0.00 ? 40 ASP B HB3 29 ATOM 41110 N N . ASP B 1 41 ? -25.914 11.999 -4.322 1.00 0.00 ? 41 ASP B N 29 ATOM 41111 C CA . ASP B 1 41 ? -27.134 12.709 -3.956 1.00 0.00 ? 41 ASP B CA 29 ATOM 41112 C C . ASP B 1 41 ? -28.201 12.547 -5.034 1.00 0.00 ? 41 ASP B C 29 ATOM 41113 O O . ASP B 1 41 ? -28.229 13.375 -5.969 1.00 0.00 ? 41 ASP B O 29 ATOM 41114 C CB . ASP B 1 41 ? -26.838 14.193 -3.734 1.00 0.00 ? 41 ASP B CB 29 ATOM 41115 C CG . ASP B 1 41 ? -25.542 14.418 -2.980 1.00 0.00 ? 41 ASP B CG 29 ATOM 41116 O OD1 . ASP B 1 41 ? -25.324 13.733 -1.959 1.00 0.00 ? 41 ASP B OD1 29 ATOM 41117 O OD2 . ASP B 1 41 ? -24.746 15.278 -3.412 1.00 0.00 ? 41 ASP B OD2 29 ATOM 41118 O OXT . ASP B 1 41 ? -29.002 11.593 -4.933 1.00 0.00 ? 41 ASP B OXT 29 ATOM 41119 H H . ASP B 1 41 ? -25.120 12.514 -4.580 1.00 0.00 ? 41 ASP B H 29 ATOM 41120 H HA . ASP B 1 41 ? -27.501 12.282 -3.036 1.00 0.00 ? 41 ASP B HA 29 ATOM 41121 H HB2 . ASP B 1 41 ? -26.765 14.687 -4.692 1.00 0.00 ? 41 ASP B HB2 29 ATOM 41122 H HB3 . ASP B 1 41 ? -27.645 14.634 -3.168 1.00 0.00 ? 41 ASP B HB3 29 ATOM 41123 N N . ALA A 1 1 ? -25.654 9.400 7.262 1.00 0.00 ? 1 ALA A N 30 ATOM 41124 C CA . ALA A 1 1 ? -25.729 8.114 6.521 1.00 0.00 ? 1 ALA A CA 30 ATOM 41125 C C . ALA A 1 1 ? -27.108 7.919 5.901 1.00 0.00 ? 1 ALA A C 30 ATOM 41126 O O . ALA A 1 1 ? -28.039 8.672 6.186 1.00 0.00 ? 1 ALA A O 30 ATOM 41127 C CB . ALA A 1 1 ? -25.396 6.953 7.446 1.00 0.00 ? 1 ALA A CB 30 ATOM 41128 H H1 . ALA A 1 1 ? -26.573 9.551 7.726 1.00 0.00 ? 1 ALA A H1 30 ATOM 41129 H H2 . ALA A 1 1 ? -24.889 9.320 7.961 1.00 0.00 ? 1 ALA A H2 30 ATOM 41130 H H3 . ALA A 1 1 ? -25.453 10.152 6.572 1.00 0.00 ? 1 ALA A H3 30 ATOM 41131 H HA . ALA A 1 1 ? -24.992 8.134 5.731 1.00 0.00 ? 1 ALA A HA 30 ATOM 41132 H HB1 . ALA A 1 1 ? -24.365 6.665 7.307 1.00 0.00 ? 1 ALA A HB1 30 ATOM 41133 H HB2 . ALA A 1 1 ? -26.038 6.115 7.217 1.00 0.00 ? 1 ALA A HB2 30 ATOM 41134 H HB3 . ALA A 1 1 ? -25.551 7.254 8.472 1.00 0.00 ? 1 ALA A HB3 30 ATOM 41135 N N . LEU A 1 2 ? -27.232 6.902 5.054 1.00 0.00 ? 2 LEU A N 30 ATOM 41136 C CA . LEU A 1 2 ? -28.499 6.608 4.394 1.00 0.00 ? 2 LEU A CA 30 ATOM 41137 C C . LEU A 1 2 ? -28.683 5.104 4.216 1.00 0.00 ? 2 LEU A C 30 ATOM 41138 O O . LEU A 1 2 ? -29.729 4.553 4.555 1.00 0.00 ? 2 LEU A O 30 ATOM 41139 C CB . LEU A 1 2 ? -28.564 7.306 3.034 1.00 0.00 ? 2 LEU A CB 30 ATOM 41140 C CG . LEU A 1 2 ? -28.175 8.785 3.046 1.00 0.00 ? 2 LEU A CG 30 ATOM 41141 C CD1 . LEU A 1 2 ? -26.736 8.962 2.585 1.00 0.00 ? 2 LEU A CD1 30 ATOM 41142 C CD2 . LEU A 1 2 ? -29.121 9.592 2.170 1.00 0.00 ? 2 LEU A CD2 30 ATOM 41143 H H . LEU A 1 2 ? -26.453 6.338 4.868 1.00 0.00 ? 2 LEU A H 30 ATOM 41144 H HA . LEU A 1 2 ? -29.293 6.984 5.020 1.00 0.00 ? 2 LEU A HA 30 ATOM 41145 H HB2 . LEU A 1 2 ? -27.904 6.787 2.355 1.00 0.00 ? 2 LEU A HB2 30 ATOM 41146 H HB3 . LEU A 1 2 ? -29.573 7.227 2.661 1.00 0.00 ? 2 LEU A HB3 30 ATOM 41147 H HG . LEU A 1 2 ? -28.249 9.163 4.057 1.00 0.00 ? 2 LEU A HG 30 ATOM 41148 H HD11 . LEU A 1 2 ? -26.228 8.009 2.618 1.00 0.00 ? 2 LEU A HD11 30 ATOM 41149 H HD12 . LEU A 1 2 ? -26.727 9.340 1.573 1.00 0.00 ? 2 LEU A HD12 30 ATOM 41150 H HD13 . LEU A 1 2 ? -26.233 9.662 3.236 1.00 0.00 ? 2 LEU A HD13 30 ATOM 41151 H HD21 . LEU A 1 2 ? -30.142 9.342 2.417 1.00 0.00 ? 2 LEU A HD21 30 ATOM 41152 H HD22 . LEU A 1 2 ? -28.957 10.646 2.337 1.00 0.00 ? 2 LEU A HD22 30 ATOM 41153 H HD23 . LEU A 1 2 ? -28.936 9.359 1.131 1.00 0.00 ? 2 LEU A HD23 30 ATOM 41154 N N . LYS A 1 3 ? -27.658 4.447 3.682 1.00 0.00 ? 3 LYS A N 30 ATOM 41155 C CA . LYS A 1 3 ? -27.706 3.007 3.459 1.00 0.00 ? 3 LYS A CA 30 ATOM 41156 C C . LYS A 1 3 ? -26.918 2.264 4.532 1.00 0.00 ? 3 LYS A C 30 ATOM 41157 O O . LYS A 1 3 ? -26.218 2.876 5.339 1.00 0.00 ? 3 LYS A O 30 ATOM 41158 C CB . LYS A 1 3 ? -27.153 2.666 2.074 1.00 0.00 ? 3 LYS A CB 30 ATOM 41159 C CG . LYS A 1 3 ? -28.028 3.157 0.932 1.00 0.00 ? 3 LYS A CG 30 ATOM 41160 C CD . LYS A 1 3 ? -27.435 4.387 0.266 1.00 0.00 ? 3 LYS A CD 30 ATOM 41161 C CE . LYS A 1 3 ? -28.128 4.696 -1.052 1.00 0.00 ? 3 LYS A CE 30 ATOM 41162 N NZ . LYS A 1 3 ? -27.446 5.791 -1.795 1.00 0.00 ? 3 LYS A NZ 30 ATOM 41163 H H . LYS A 1 3 ? -26.851 4.943 3.432 1.00 0.00 ? 3 LYS A H 30 ATOM 41164 H HA . LYS A 1 3 ? -28.740 2.699 3.510 1.00 0.00 ? 3 LYS A HA 30 ATOM 41165 H HB2 . LYS A 1 3 ? -26.176 3.114 1.969 1.00 0.00 ? 3 LYS A HB2 30 ATOM 41166 H HB3 . LYS A 1 3 ? -27.059 1.593 1.991 1.00 0.00 ? 3 LYS A HB3 30 ATOM 41167 H HG2 . LYS A 1 3 ? -28.118 2.371 0.197 1.00 0.00 ? 3 LYS A HG2 30 ATOM 41168 H HG3 . LYS A 1 3 ? -29.005 3.403 1.320 1.00 0.00 ? 3 LYS A HG3 30 ATOM 41169 H HD2 . LYS A 1 3 ? -27.550 5.234 0.927 1.00 0.00 ? 3 LYS A HD2 30 ATOM 41170 H HD3 . LYS A 1 3 ? -26.386 4.214 0.079 1.00 0.00 ? 3 LYS A HD3 30 ATOM 41171 H HE2 . LYS A 1 3 ? -28.128 3.804 -1.662 1.00 0.00 ? 3 LYS A HE2 30 ATOM 41172 H HE3 . LYS A 1 3 ? -29.147 4.991 -0.847 1.00 0.00 ? 3 LYS A HE3 30 ATOM 41173 H HZ1 . LYS A 1 3 ? -26.589 6.089 -1.287 1.00 0.00 ? 3 LYS A HZ1 30 ATOM 41174 H HZ2 . LYS A 1 3 ? -27.176 5.463 -2.746 1.00 0.00 ? 3 LYS A HZ2 30 ATOM 41175 H HZ3 . LYS A 1 3 ? -28.081 6.608 -1.891 1.00 0.00 ? 3 LYS A HZ3 30 ATOM 41176 N N . LYS A 1 4 ? -27.035 0.940 4.535 1.00 0.00 ? 4 LYS A N 30 ATOM 41177 C CA . LYS A 1 4 ? -26.333 0.113 5.510 1.00 0.00 ? 4 LYS A CA 30 ATOM 41178 C C . LYS A 1 4 ? -25.436 -0.906 4.814 1.00 0.00 ? 4 LYS A C 30 ATOM 41179 O O . LYS A 1 4 ? -24.249 -1.015 5.122 1.00 0.00 ? 4 LYS A O 30 ATOM 41180 C CB . LYS A 1 4 ? -27.333 -0.605 6.417 1.00 0.00 ? 4 LYS A CB 30 ATOM 41181 C CG . LYS A 1 4 ? -28.606 -1.030 5.705 1.00 0.00 ? 4 LYS A CG 30 ATOM 41182 C CD . LYS A 1 4 ? -29.704 -1.391 6.692 1.00 0.00 ? 4 LYS A CD 30 ATOM 41183 C CE . LYS A 1 4 ? -30.212 -0.164 7.432 1.00 0.00 ? 4 LYS A CE 30 ATOM 41184 N NZ . LYS A 1 4 ? -31.551 0.265 6.944 1.00 0.00 ? 4 LYS A NZ 30 ATOM 41185 H H . LYS A 1 4 ? -27.608 0.508 3.867 1.00 0.00 ? 4 LYS A H 30 ATOM 41186 H HA . LYS A 1 4 ? -25.716 0.764 6.113 1.00 0.00 ? 4 LYS A HA 30 ATOM 41187 H HB2 . LYS A 1 4 ? -26.862 -1.488 6.825 1.00 0.00 ? 4 LYS A HB2 30 ATOM 41188 H HB3 . LYS A 1 4 ? -27.603 0.054 7.229 1.00 0.00 ? 4 LYS A HB3 30 ATOM 41189 H HG2 . LYS A 1 4 ? -28.948 -0.217 5.083 1.00 0.00 ? 4 LYS A HG2 30 ATOM 41190 H HG3 . LYS A 1 4 ? -28.391 -1.892 5.089 1.00 0.00 ? 4 LYS A HG3 30 ATOM 41191 H HD2 . LYS A 1 4 ? -30.525 -1.840 6.155 1.00 0.00 ? 4 LYS A HD2 30 ATOM 41192 H HD3 . LYS A 1 4 ? -29.311 -2.096 7.410 1.00 0.00 ? 4 LYS A HD3 30 ATOM 41193 H HE2 . LYS A 1 4 ? -30.280 -0.397 8.485 1.00 0.00 ? 4 LYS A HE2 30 ATOM 41194 H HE3 . LYS A 1 4 ? -29.510 0.644 7.288 1.00 0.00 ? 4 LYS A HE3 30 ATOM 41195 H HZ1 . LYS A 1 4 ? -32.241 -0.504 7.070 1.00 0.00 ? 4 LYS A HZ1 30 ATOM 41196 H HZ2 . LYS A 1 4 ? -31.876 1.098 7.475 1.00 0.00 ? 4 LYS A HZ2 30 ATOM 41197 H HZ3 . LYS A 1 4 ? -31.502 0.509 5.933 1.00 0.00 ? 4 LYS A HZ3 30 ATOM 41198 N N . HIS A 1 5 ? -26.011 -1.649 3.873 1.00 0.00 ? 5 HIS A N 30 ATOM 41199 C CA . HIS A 1 5 ? -25.261 -2.658 3.133 1.00 0.00 ? 5 HIS A CA 30 ATOM 41200 C C . HIS A 1 5 ? -23.967 -2.072 2.577 1.00 0.00 ? 5 HIS A C 30 ATOM 41201 O O . HIS A 1 5 ? -22.952 -2.764 2.474 1.00 0.00 ? 5 HIS A O 30 ATOM 41202 C CB . HIS A 1 5 ? -26.110 -3.223 1.994 1.00 0.00 ? 5 HIS A CB 30 ATOM 41203 C CG . HIS A 1 5 ? -26.556 -2.189 1.008 1.00 0.00 ? 5 HIS A CG 30 ATOM 41204 N ND1 . HIS A 1 5 ? -26.691 -2.444 -0.342 1.00 0.00 ? 5 HIS A ND1 30 ATOM 41205 C CD2 . HIS A 1 5 ? -26.900 -0.890 1.178 1.00 0.00 ? 5 HIS A CD2 30 ATOM 41206 C CE1 . HIS A 1 5 ? -27.097 -1.348 -0.957 1.00 0.00 ? 5 HIS A CE1 30 ATOM 41207 N NE2 . HIS A 1 5 ? -27.231 -0.392 -0.057 1.00 0.00 ? 5 HIS A NE2 30 ATOM 41208 H H . HIS A 1 5 ? -26.960 -1.516 3.671 1.00 0.00 ? 5 HIS A H 30 ATOM 41209 H HA . HIS A 1 5 ? -25.015 -3.456 3.818 1.00 0.00 ? 5 HIS A HA 30 ATOM 41210 H HB2 . HIS A 1 5 ? -25.536 -3.966 1.460 1.00 0.00 ? 5 HIS A HB2 30 ATOM 41211 H HB3 . HIS A 1 5 ? -26.993 -3.689 2.410 1.00 0.00 ? 5 HIS A HB3 30 ATOM 41212 H HD1 . HIS A 1 5 ? -26.515 -3.301 -0.782 1.00 0.00 ? 5 HIS A HD1 30 ATOM 41213 H HD2 . HIS A 1 5 ? -26.909 -0.347 2.113 1.00 0.00 ? 5 HIS A HD2 30 ATOM 41214 H HE1 . HIS A 1 5 ? -27.288 -1.251 -2.016 1.00 0.00 ? 5 HIS A HE1 30 ATOM 41215 H HE2 . HIS A 1 5 ? -27.521 0.525 -0.244 1.00 0.00 ? 5 HIS A HE2 30 ATOM 41216 N N . HIS A 1 6 ? -24.007 -0.790 2.226 1.00 0.00 ? 6 HIS A N 30 ATOM 41217 C CA . HIS A 1 6 ? -22.836 -0.114 1.687 1.00 0.00 ? 6 HIS A CA 30 ATOM 41218 C C . HIS A 1 6 ? -21.719 -0.090 2.718 1.00 0.00 ? 6 HIS A C 30 ATOM 41219 O O . HIS A 1 6 ? -20.626 -0.583 2.463 1.00 0.00 ? 6 HIS A O 30 ATOM 41220 C CB . HIS A 1 6 ? -23.190 1.311 1.257 1.00 0.00 ? 6 HIS A CB 30 ATOM 41221 C CG . HIS A 1 6 ? -23.961 1.375 -0.026 1.00 0.00 ? 6 HIS A CG 30 ATOM 41222 N ND1 . HIS A 1 6 ? -24.463 0.257 -0.659 1.00 0.00 ? 6 HIS A ND1 30 ATOM 41223 C CD2 . HIS A 1 6 ? -24.316 2.431 -0.794 1.00 0.00 ? 6 HIS A CD2 30 ATOM 41224 C CE1 . HIS A 1 6 ? -25.092 0.624 -1.762 1.00 0.00 ? 6 HIS A CE1 30 ATOM 41225 N NE2 . HIS A 1 6 ? -25.017 1.937 -1.866 1.00 0.00 ? 6 HIS A NE2 30 ATOM 41226 H H . HIS A 1 6 ? -24.842 -0.289 2.337 1.00 0.00 ? 6 HIS A H 30 ATOM 41227 H HA . HIS A 1 6 ? -22.500 -0.672 0.826 1.00 0.00 ? 6 HIS A HA 30 ATOM 41228 H HB2 . HIS A 1 6 ? -23.789 1.774 2.027 1.00 0.00 ? 6 HIS A HB2 30 ATOM 41229 H HB3 . HIS A 1 6 ? -22.280 1.877 1.127 1.00 0.00 ? 6 HIS A HB3 30 ATOM 41230 H HD1 . HIS A 1 6 ? -24.372 -0.667 -0.347 1.00 0.00 ? 6 HIS A HD1 30 ATOM 41231 H HD2 . HIS A 1 6 ? -24.089 3.471 -0.600 1.00 0.00 ? 6 HIS A HD2 30 ATOM 41232 H HE1 . HIS A 1 6 ? -25.585 -0.039 -2.458 1.00 0.00 ? 6 HIS A HE1 30 ATOM 41233 H HE2 . HIS A 1 6 ? -25.401 2.471 -2.592 1.00 0.00 ? 6 HIS A HE2 30 ATOM 41234 N N . GLU A 1 7 ? -22.003 0.477 3.885 1.00 0.00 ? 7 GLU A N 30 ATOM 41235 C CA . GLU A 1 7 ? -21.022 0.550 4.960 1.00 0.00 ? 7 GLU A CA 30 ATOM 41236 C C . GLU A 1 7 ? -20.408 -0.822 5.226 1.00 0.00 ? 7 GLU A C 30 ATOM 41237 O O . GLU A 1 7 ? -19.292 -0.924 5.732 1.00 0.00 ? 7 GLU A O 30 ATOM 41238 C CB . GLU A 1 7 ? -21.674 1.086 6.237 1.00 0.00 ? 7 GLU A CB 30 ATOM 41239 C CG . GLU A 1 7 ? -21.444 2.572 6.460 1.00 0.00 ? 7 GLU A CG 30 ATOM 41240 C CD . GLU A 1 7 ? -21.781 3.008 7.872 1.00 0.00 ? 7 GLU A CD 30 ATOM 41241 O OE1 . GLU A 1 7 ? -22.769 2.492 8.433 1.00 0.00 ? 7 GLU A OE1 30 ATOM 41242 O OE2 . GLU A 1 7 ? -21.056 3.868 8.416 1.00 0.00 ? 7 GLU A OE2 30 ATOM 41243 H H . GLU A 1 7 ? -22.894 0.849 4.029 1.00 0.00 ? 7 GLU A H 30 ATOM 41244 H HA . GLU A 1 7 ? -20.242 1.229 4.652 1.00 0.00 ? 7 GLU A HA 30 ATOM 41245 H HB2 . GLU A 1 7 ? -22.738 0.911 6.185 1.00 0.00 ? 7 GLU A HB2 30 ATOM 41246 H HB3 . GLU A 1 7 ? -21.271 0.550 7.084 1.00 0.00 ? 7 GLU A HB3 30 ATOM 41247 H HG2 . GLU A 1 7 ? -20.406 2.796 6.268 1.00 0.00 ? 7 GLU A HG2 30 ATOM 41248 H HG3 . GLU A 1 7 ? -22.064 3.126 5.769 1.00 0.00 ? 7 GLU A HG3 30 ATOM 41249 N N . ASN A 1 8 ? -21.146 -1.876 4.879 1.00 0.00 ? 8 ASN A N 30 ATOM 41250 C CA . ASN A 1 8 ? -20.671 -3.242 5.075 1.00 0.00 ? 8 ASN A CA 30 ATOM 41251 C C . ASN A 1 8 ? -19.503 -3.542 4.144 1.00 0.00 ? 8 ASN A C 30 ATOM 41252 O O . ASN A 1 8 ? -18.393 -3.831 4.596 1.00 0.00 ? 8 ASN A O 30 ATOM 41253 C CB . ASN A 1 8 ? -21.804 -4.241 4.834 1.00 0.00 ? 8 ASN A CB 30 ATOM 41254 C CG . ASN A 1 8 ? -23.064 -3.881 5.594 1.00 0.00 ? 8 ASN A CG 30 ATOM 41255 O OD1 . ASN A 1 8 ? -23.123 -2.854 6.271 1.00 0.00 ? 8 ASN A OD1 30 ATOM 41256 N ND2 . ASN A 1 8 ? -24.083 -4.727 5.488 1.00 0.00 ? 8 ASN A ND2 30 ATOM 41257 H H . ASN A 1 8 ? -22.029 -1.732 4.480 1.00 0.00 ? 8 ASN A H 30 ATOM 41258 H HA . ASN A 1 8 ? -20.332 -3.332 6.097 1.00 0.00 ? 8 ASN A HA 30 ATOM 41259 H HB2 . ASN A 1 8 ? -22.037 -4.265 3.780 1.00 0.00 ? 8 ASN A HB2 30 ATOM 41260 H HB3 . ASN A 1 8 ? -21.482 -5.224 5.150 1.00 0.00 ? 8 ASN A HB3 30 ATOM 41261 H HD21 . ASN A 1 8 ? -23.964 -5.525 4.932 1.00 0.00 ? 8 ASN A HD21 30 ATOM 41262 H HD22 . ASN A 1 8 ? -24.910 -4.518 5.969 1.00 0.00 ? 8 ASN A HD22 30 ATOM 41263 N N . GLU A 1 9 ? -19.750 -3.451 2.839 1.00 0.00 ? 9 GLU A N 30 ATOM 41264 C CA . GLU A 1 9 ? -18.703 -3.694 1.851 1.00 0.00 ? 9 GLU A CA 30 ATOM 41265 C C . GLU A 1 9 ? -17.655 -2.577 1.882 1.00 0.00 ? 9 GLU A C 30 ATOM 41266 O O . GLU A 1 9 ? -16.599 -2.685 1.258 1.00 0.00 ? 9 GLU A O 30 ATOM 41267 C CB . GLU A 1 9 ? -19.309 -3.802 0.450 1.00 0.00 ? 9 GLU A CB 30 ATOM 41268 C CG . GLU A 1 9 ? -20.562 -4.661 0.394 1.00 0.00 ? 9 GLU A CG 30 ATOM 41269 C CD . GLU A 1 9 ? -21.819 -3.843 0.175 1.00 0.00 ? 9 GLU A CD 30 ATOM 41270 O OE1 . GLU A 1 9 ? -21.711 -2.720 -0.362 1.00 0.00 ? 9 GLU A OE1 30 ATOM 41271 O OE2 . GLU A 1 9 ? -22.913 -4.324 0.539 1.00 0.00 ? 9 GLU A OE2 30 ATOM 41272 H H . GLU A 1 9 ? -20.652 -3.199 2.535 1.00 0.00 ? 9 GLU A H 30 ATOM 41273 H HA . GLU A 1 9 ? -18.223 -4.629 2.099 1.00 0.00 ? 9 GLU A HA 30 ATOM 41274 H HB2 . GLU A 1 9 ? -19.561 -2.812 0.102 1.00 0.00 ? 9 GLU A HB2 30 ATOM 41275 H HB3 . GLU A 1 9 ? -18.575 -4.233 -0.215 1.00 0.00 ? 9 GLU A HB3 30 ATOM 41276 H HG2 . GLU A 1 9 ? -20.464 -5.366 -0.417 1.00 0.00 ? 9 GLU A HG2 30 ATOM 41277 H HG3 . GLU A 1 9 ? -20.657 -5.198 1.327 1.00 0.00 ? 9 GLU A HG3 30 ATOM 41278 N N . ILE A 1 10 ? -17.958 -1.507 2.617 1.00 0.00 ? 10 ILE A N 30 ATOM 41279 C CA . ILE A 1 10 ? -17.064 -0.370 2.744 1.00 0.00 ? 10 ILE A CA 30 ATOM 41280 C C . ILE A 1 10 ? -16.109 -0.580 3.916 1.00 0.00 ? 10 ILE A C 30 ATOM 41281 O O . ILE A 1 10 ? -14.982 -0.084 3.911 1.00 0.00 ? 10 ILE A O 30 ATOM 41282 C CB . ILE A 1 10 ? -17.890 0.928 2.940 1.00 0.00 ? 10 ILE A CB 30 ATOM 41283 C CG1 . ILE A 1 10 ? -18.603 1.299 1.639 1.00 0.00 ? 10 ILE A CG1 30 ATOM 41284 C CG2 . ILE A 1 10 ? -17.032 2.092 3.415 1.00 0.00 ? 10 ILE A CG2 30 ATOM 41285 C CD1 . ILE A 1 10 ? -19.625 2.401 1.805 1.00 0.00 ? 10 ILE A CD1 30 ATOM 41286 H H . ILE A 1 10 ? -18.805 -1.481 3.092 1.00 0.00 ? 10 ILE A H 30 ATOM 41287 H HA . ILE A 1 10 ? -16.494 -0.284 1.831 1.00 0.00 ? 10 ILE A HA 30 ATOM 41288 H HB . ILE A 1 10 ? -18.633 0.736 3.696 1.00 0.00 ? 10 ILE A HB 30 ATOM 41289 H HG12 . ILE A 1 10 ? -17.872 1.632 0.918 1.00 0.00 ? 10 ILE A HG12 30 ATOM 41290 H HG13 . ILE A 1 10 ? -19.112 0.427 1.253 1.00 0.00 ? 10 ILE A HG13 30 ATOM 41291 H HG21 . ILE A 1 10 ? -16.466 1.794 4.284 1.00 0.00 ? 10 ILE A HG21 30 ATOM 41292 H HG22 . ILE A 1 10 ? -16.357 2.390 2.627 1.00 0.00 ? 10 ILE A HG22 30 ATOM 41293 H HG23 . ILE A 1 10 ? -17.675 2.922 3.674 1.00 0.00 ? 10 ILE A HG23 30 ATOM 41294 H HD11 . ILE A 1 10 ? -19.307 3.072 2.591 1.00 0.00 ? 10 ILE A HD11 30 ATOM 41295 H HD12 . ILE A 1 10 ? -19.718 2.950 0.880 1.00 0.00 ? 10 ILE A HD12 30 ATOM 41296 H HD13 . ILE A 1 10 ? -20.580 1.970 2.067 1.00 0.00 ? 10 ILE A HD13 30 ATOM 41297 N N . SER A 1 11 ? -16.564 -1.332 4.909 1.00 0.00 ? 11 SER A N 30 ATOM 41298 C CA . SER A 1 11 ? -15.748 -1.622 6.077 1.00 0.00 ? 11 SER A CA 30 ATOM 41299 C C . SER A 1 11 ? -14.780 -2.754 5.765 1.00 0.00 ? 11 SER A C 30 ATOM 41300 O O . SER A 1 11 ? -13.677 -2.816 6.312 1.00 0.00 ? 11 SER A O 30 ATOM 41301 C CB . SER A 1 11 ? -16.630 -1.997 7.269 1.00 0.00 ? 11 SER A CB 30 ATOM 41302 O OG . SER A 1 11 ? -16.289 -1.239 8.418 1.00 0.00 ? 11 SER A OG 30 ATOM 41303 H H . SER A 1 11 ? -17.466 -1.711 4.850 1.00 0.00 ? 11 SER A H 30 ATOM 41304 H HA . SER A 1 11 ? -15.182 -0.734 6.318 1.00 0.00 ? 11 SER A HA 30 ATOM 41305 H HB2 . SER A 1 11 ? -17.664 -1.806 7.023 1.00 0.00 ? 11 SER A HB2 30 ATOM 41306 H HB3 . SER A 1 11 ? -16.502 -3.046 7.494 1.00 0.00 ? 11 SER A HB3 30 ATOM 41307 H HG . SER A 1 11 ? -15.350 -1.039 8.404 1.00 0.00 ? 11 SER A HG 30 ATOM 41308 N N . HIS A 1 12 ? -15.199 -3.643 4.870 1.00 0.00 ? 12 HIS A N 30 ATOM 41309 C CA . HIS A 1 12 ? -14.371 -4.768 4.471 1.00 0.00 ? 12 HIS A CA 30 ATOM 41310 C C . HIS A 1 12 ? -13.308 -4.305 3.470 1.00 0.00 ? 12 HIS A C 30 ATOM 41311 O O . HIS A 1 12 ? -12.132 -4.640 3.609 1.00 0.00 ? 12 HIS A O 30 ATOM 41312 C CB . HIS A 1 12 ? -15.266 -5.898 3.915 1.00 0.00 ? 12 HIS A CB 30 ATOM 41313 C CG . HIS A 1 12 ? -14.749 -6.600 2.693 1.00 0.00 ? 12 HIS A CG 30 ATOM 41314 N ND1 . HIS A 1 12 ? -13.930 -7.709 2.745 1.00 0.00 ? 12 HIS A ND1 30 ATOM 41315 C CD2 . HIS A 1 12 ? -14.945 -6.339 1.382 1.00 0.00 ? 12 HIS A CD2 30 ATOM 41316 C CE1 . HIS A 1 12 ? -13.645 -8.099 1.515 1.00 0.00 ? 12 HIS A CE1 30 ATOM 41317 N NE2 . HIS A 1 12 ? -14.249 -7.285 0.671 1.00 0.00 ? 12 HIS A NE2 30 ATOM 41318 H H . HIS A 1 12 ? -16.085 -3.534 4.462 1.00 0.00 ? 12 HIS A H 30 ATOM 41319 H HA . HIS A 1 12 ? -13.866 -5.126 5.358 1.00 0.00 ? 12 HIS A HA 30 ATOM 41320 H HB2 . HIS A 1 12 ? -15.397 -6.645 4.683 1.00 0.00 ? 12 HIS A HB2 30 ATOM 41321 H HB3 . HIS A 1 12 ? -16.234 -5.482 3.670 1.00 0.00 ? 12 HIS A HB3 30 ATOM 41322 H HD1 . HIS A 1 12 ? -13.606 -8.145 3.560 1.00 0.00 ? 12 HIS A HD1 30 ATOM 41323 H HD2 . HIS A 1 12 ? -15.537 -5.532 0.975 1.00 0.00 ? 12 HIS A HD2 30 ATOM 41324 H HE1 . HIS A 1 12 ? -13.024 -8.942 1.246 1.00 0.00 ? 12 HIS A HE1 30 ATOM 41325 H HE2 . HIS A 1 12 ? -14.207 -7.347 -0.307 1.00 0.00 ? 12 HIS A HE2 30 ATOM 41326 N N . HIS A 1 13 ? -13.718 -3.520 2.474 1.00 0.00 ? 13 HIS A N 30 ATOM 41327 C CA . HIS A 1 13 ? -12.772 -3.015 1.488 1.00 0.00 ? 13 HIS A CA 30 ATOM 41328 C C . HIS A 1 13 ? -11.855 -1.980 2.122 1.00 0.00 ? 13 HIS A C 30 ATOM 41329 O O . HIS A 1 13 ? -10.741 -1.763 1.658 1.00 0.00 ? 13 HIS A O 30 ATOM 41330 C CB . HIS A 1 13 ? -13.490 -2.381 0.300 1.00 0.00 ? 13 HIS A CB 30 ATOM 41331 C CG . HIS A 1 13 ? -14.350 -3.318 -0.476 1.00 0.00 ? 13 HIS A CG 30 ATOM 41332 N ND1 . HIS A 1 13 ? -14.071 -4.658 -0.638 1.00 0.00 ? 13 HIS A ND1 30 ATOM 41333 C CD2 . HIS A 1 13 ? -15.495 -3.086 -1.148 1.00 0.00 ? 13 HIS A CD2 30 ATOM 41334 C CE1 . HIS A 1 13 ? -15.014 -5.212 -1.381 1.00 0.00 ? 13 HIS A CE1 30 ATOM 41335 N NE2 . HIS A 1 13 ? -15.890 -4.278 -1.704 1.00 0.00 ? 13 HIS A NE2 30 ATOM 41336 H H . HIS A 1 13 ? -14.666 -3.266 2.410 1.00 0.00 ? 13 HIS A H 30 ATOM 41337 H HA . HIS A 1 13 ? -12.176 -3.846 1.140 1.00 0.00 ? 13 HIS A HA 30 ATOM 41338 H HB2 . HIS A 1 13 ? -14.119 -1.584 0.657 1.00 0.00 ? 13 HIS A HB2 30 ATOM 41339 H HB3 . HIS A 1 13 ? -12.753 -1.974 -0.376 1.00 0.00 ? 13 HIS A HB3 30 ATOM 41340 H HD1 . HIS A 1 13 ? -13.299 -5.132 -0.265 1.00 0.00 ? 13 HIS A HD1 30 ATOM 41341 H HD2 . HIS A 1 13 ? -15.997 -2.134 -1.233 1.00 0.00 ? 13 HIS A HD2 30 ATOM 41342 H HE1 . HIS A 1 13 ? -15.059 -6.250 -1.675 1.00 0.00 ? 13 HIS A HE1 30 ATOM 41343 H HE2 . HIS A 1 13 ? -16.692 -4.415 -2.250 1.00 0.00 ? 13 HIS A HE2 30 ATOM 41344 N N . ALA A 1 14 ? -12.337 -1.335 3.182 1.00 0.00 ? 14 ALA A N 30 ATOM 41345 C CA . ALA A 1 14 ? -11.557 -0.319 3.876 1.00 0.00 ? 14 ALA A CA 30 ATOM 41346 C C . ALA A 1 14 ? -10.405 -0.956 4.637 1.00 0.00 ? 14 ALA A C 30 ATOM 41347 O O . ALA A 1 14 ? -9.274 -0.475 4.585 1.00 0.00 ? 14 ALA A O 30 ATOM 41348 C CB . ALA A 1 14 ? -12.443 0.481 4.818 1.00 0.00 ? 14 ALA A CB 30 ATOM 41349 H H . ALA A 1 14 ? -13.239 -1.546 3.504 1.00 0.00 ? 14 ALA A H 30 ATOM 41350 H HA . ALA A 1 14 ? -11.153 0.357 3.133 1.00 0.00 ? 14 ALA A HA 30 ATOM 41351 H HB1 . ALA A 1 14 ? -13.056 -0.194 5.396 1.00 0.00 ? 14 ALA A HB1 30 ATOM 41352 H HB2 . ALA A 1 14 ? -11.825 1.065 5.484 1.00 0.00 ? 14 ALA A HB2 30 ATOM 41353 H HB3 . ALA A 1 14 ? -13.077 1.140 4.243 1.00 0.00 ? 14 ALA A HB3 30 ATOM 41354 N N . LYS A 1 15 ? -10.693 -2.049 5.335 1.00 0.00 ? 15 LYS A N 30 ATOM 41355 C CA . LYS A 1 15 ? -9.665 -2.754 6.088 1.00 0.00 ? 15 LYS A CA 30 ATOM 41356 C C . LYS A 1 15 ? -8.673 -3.403 5.131 1.00 0.00 ? 15 LYS A C 30 ATOM 41357 O O . LYS A 1 15 ? -7.501 -3.589 5.460 1.00 0.00 ? 15 LYS A O 30 ATOM 41358 C CB . LYS A 1 15 ? -10.296 -3.813 6.994 1.00 0.00 ? 15 LYS A CB 30 ATOM 41359 C CG . LYS A 1 15 ? -9.330 -4.393 8.013 1.00 0.00 ? 15 LYS A CG 30 ATOM 41360 C CD . LYS A 1 15 ? -10.059 -4.885 9.254 1.00 0.00 ? 15 LYS A CD 30 ATOM 41361 C CE . LYS A 1 15 ? -9.089 -5.201 10.382 1.00 0.00 ? 15 LYS A CE 30 ATOM 41362 N NZ . LYS A 1 15 ? -9.725 -6.026 11.445 1.00 0.00 ? 15 LYS A NZ 30 ATOM 41363 H H . LYS A 1 15 ? -11.612 -2.396 5.332 1.00 0.00 ? 15 LYS A H 30 ATOM 41364 H HA . LYS A 1 15 ? -9.143 -2.030 6.695 1.00 0.00 ? 15 LYS A HA 30 ATOM 41365 H HB2 . LYS A 1 15 ? -11.124 -3.368 7.526 1.00 0.00 ? 15 LYS A HB2 30 ATOM 41366 H HB3 . LYS A 1 15 ? -10.665 -4.621 6.380 1.00 0.00 ? 15 LYS A HB3 30 ATOM 41367 H HG2 . LYS A 1 15 ? -8.803 -5.222 7.566 1.00 0.00 ? 15 LYS A HG2 30 ATOM 41368 H HG3 . LYS A 1 15 ? -8.623 -3.628 8.302 1.00 0.00 ? 15 LYS A HG3 30 ATOM 41369 H HD2 . LYS A 1 15 ? -10.743 -4.118 9.585 1.00 0.00 ? 15 LYS A HD2 30 ATOM 41370 H HD3 . LYS A 1 15 ? -10.611 -5.779 9.003 1.00 0.00 ? 15 LYS A HD3 30 ATOM 41371 H HE2 . LYS A 1 15 ? -8.247 -5.741 9.974 1.00 0.00 ? 15 LYS A HE2 30 ATOM 41372 H HE3 . LYS A 1 15 ? -8.746 -4.272 10.813 1.00 0.00 ? 15 LYS A HE3 30 ATOM 41373 H HZ1 . LYS A 1 15 ? -10.675 -6.325 11.147 1.00 0.00 ? 15 LYS A HZ1 30 ATOM 41374 H HZ2 . LYS A 1 15 ? -9.150 -6.873 11.631 1.00 0.00 ? 15 LYS A HZ2 30 ATOM 41375 H HZ3 . LYS A 1 15 ? -9.807 -5.476 12.324 1.00 0.00 ? 15 LYS A HZ3 30 ATOM 41376 N N . GLU A 1 16 ? -9.156 -3.740 3.938 1.00 0.00 ? 16 GLU A N 30 ATOM 41377 C CA . GLU A 1 16 ? -8.320 -4.363 2.921 1.00 0.00 ? 16 GLU A CA 30 ATOM 41378 C C . GLU A 1 16 ? -7.288 -3.377 2.384 1.00 0.00 ? 16 GLU A C 30 ATOM 41379 O O . GLU A 1 16 ? -6.111 -3.713 2.248 1.00 0.00 ? 16 GLU A O 30 ATOM 41380 C CB . GLU A 1 16 ? -9.184 -4.891 1.775 1.00 0.00 ? 16 GLU A CB 30 ATOM 41381 C CG . GLU A 1 16 ? -9.318 -6.405 1.761 1.00 0.00 ? 16 GLU A CG 30 ATOM 41382 C CD . GLU A 1 16 ? -9.652 -6.972 3.127 1.00 0.00 ? 16 GLU A CD 30 ATOM 41383 O OE1 . GLU A 1 16 ? -10.743 -6.663 3.649 1.00 0.00 ? 16 GLU A OE1 30 ATOM 41384 O OE2 . GLU A 1 16 ? -8.820 -7.727 3.676 1.00 0.00 ? 16 GLU A OE2 30 ATOM 41385 H H . GLU A 1 16 ? -10.097 -3.561 3.736 1.00 0.00 ? 16 GLU A H 30 ATOM 41386 H HA . GLU A 1 16 ? -7.803 -5.192 3.381 1.00 0.00 ? 16 GLU A HA 30 ATOM 41387 H HB2 . GLU A 1 16 ? -10.173 -4.464 1.859 1.00 0.00 ? 16 GLU A HB2 30 ATOM 41388 H HB3 . GLU A 1 16 ? -8.747 -4.582 0.838 1.00 0.00 ? 16 GLU A HB3 30 ATOM 41389 H HG2 . GLU A 1 16 ? -10.105 -6.678 1.074 1.00 0.00 ? 16 GLU A HG2 30 ATOM 41390 H HG3 . GLU A 1 16 ? -8.384 -6.833 1.427 1.00 0.00 ? 16 GLU A HG3 30 ATOM 41391 N N . ILE A 1 17 ? -7.730 -2.158 2.077 1.00 0.00 ? 17 ILE A N 30 ATOM 41392 C CA . ILE A 1 17 ? -6.824 -1.144 1.556 1.00 0.00 ? 17 ILE A CA 30 ATOM 41393 C C . ILE A 1 17 ? -5.787 -0.760 2.613 1.00 0.00 ? 17 ILE A C 30 ATOM 41394 O O . ILE A 1 17 ? -4.608 -0.589 2.310 1.00 0.00 ? 17 ILE A O 30 ATOM 41395 C CB . ILE A 1 17 ? -7.593 0.110 1.043 1.00 0.00 ? 17 ILE A CB 30 ATOM 41396 C CG1 . ILE A 1 17 ? -7.867 1.123 2.165 1.00 0.00 ? 17 ILE A CG1 30 ATOM 41397 C CG2 . ILE A 1 17 ? -8.904 -0.300 0.388 1.00 0.00 ? 17 ILE A CG2 30 ATOM 41398 C CD1 . ILE A 1 17 ? -6.687 2.019 2.471 1.00 0.00 ? 17 ILE A CD1 30 ATOM 41399 H H . ILE A 1 17 ? -8.680 -1.937 2.204 1.00 0.00 ? 17 ILE A H 30 ATOM 41400 H HA . ILE A 1 17 ? -6.302 -1.580 0.714 1.00 0.00 ? 17 ILE A HA 30 ATOM 41401 H HB . ILE A 1 17 ? -6.988 0.580 0.282 1.00 0.00 ? 17 ILE A HB 30 ATOM 41402 H HG12 . ILE A 1 17 ? -8.695 1.753 1.877 1.00 0.00 ? 17 ILE A HG12 30 ATOM 41403 H HG13 . ILE A 1 17 ? -8.122 0.589 3.067 1.00 0.00 ? 17 ILE A HG13 30 ATOM 41404 H HG21 . ILE A 1 17 ? -8.979 -1.375 0.362 1.00 0.00 ? 17 ILE A HG21 30 ATOM 41405 H HG22 . ILE A 1 17 ? -9.729 0.105 0.953 1.00 0.00 ? 17 ILE A HG22 30 ATOM 41406 H HG23 . ILE A 1 17 ? -8.936 0.086 -0.618 1.00 0.00 ? 17 ILE A HG23 30 ATOM 41407 H HD11 . ILE A 1 17 ? -5.812 1.651 1.955 1.00 0.00 ? 17 ILE A HD11 30 ATOM 41408 H HD12 . ILE A 1 17 ? -6.903 3.025 2.141 1.00 0.00 ? 17 ILE A HD12 30 ATOM 41409 H HD13 . ILE A 1 17 ? -6.503 2.022 3.535 1.00 0.00 ? 17 ILE A HD13 30 ATOM 41410 N N . GLU A 1 18 ? -6.237 -0.640 3.858 1.00 0.00 ? 18 GLU A N 30 ATOM 41411 C CA . GLU A 1 18 ? -5.347 -0.290 4.957 1.00 0.00 ? 18 GLU A CA 30 ATOM 41412 C C . GLU A 1 18 ? -4.335 -1.405 5.204 1.00 0.00 ? 18 GLU A C 30 ATOM 41413 O O . GLU A 1 18 ? -3.243 -1.165 5.719 1.00 0.00 ? 18 GLU A O 30 ATOM 41414 C CB . GLU A 1 18 ? -6.151 -0.024 6.229 1.00 0.00 ? 18 GLU A CB 30 ATOM 41415 C CG . GLU A 1 18 ? -5.496 0.979 7.165 1.00 0.00 ? 18 GLU A CG 30 ATOM 41416 C CD . GLU A 1 18 ? -6.210 1.085 8.499 1.00 0.00 ? 18 GLU A CD 30 ATOM 41417 O OE1 . GLU A 1 18 ? -5.953 0.235 9.378 1.00 0.00 ? 18 GLU A OE1 30 ATOM 41418 O OE2 . GLU A 1 18 ? -7.025 2.016 8.664 1.00 0.00 ? 18 GLU A OE2 30 ATOM 41419 H H . GLU A 1 18 ? -7.185 -0.800 4.043 1.00 0.00 ? 18 GLU A H 30 ATOM 41420 H HA . GLU A 1 18 ? -4.814 0.608 4.681 1.00 0.00 ? 18 GLU A HA 30 ATOM 41421 H HB2 . GLU A 1 18 ? -7.124 0.357 5.953 1.00 0.00 ? 18 GLU A HB2 30 ATOM 41422 H HB3 . GLU A 1 18 ? -6.277 -0.953 6.764 1.00 0.00 ? 18 GLU A HB3 30 ATOM 41423 H HG2 . GLU A 1 18 ? -4.476 0.674 7.344 1.00 0.00 ? 18 GLU A HG2 30 ATOM 41424 H HG3 . GLU A 1 18 ? -5.503 1.950 6.692 1.00 0.00 ? 18 GLU A HG3 30 ATOM 41425 N N . ARG A 1 19 ? -4.709 -2.627 4.833 1.00 0.00 ? 19 ARG A N 30 ATOM 41426 C CA . ARG A 1 19 ? -3.838 -3.782 5.015 1.00 0.00 ? 19 ARG A CA 30 ATOM 41427 C C . ARG A 1 19 ? -2.640 -3.722 4.070 1.00 0.00 ? 19 ARG A C 30 ATOM 41428 O O . ARG A 1 19 ? -1.498 -3.906 4.491 1.00 0.00 ? 19 ARG A O 30 ATOM 41429 C CB . ARG A 1 19 ? -4.619 -5.077 4.782 1.00 0.00 ? 19 ARG A CB 30 ATOM 41430 C CG . ARG A 1 19 ? -4.342 -6.149 5.822 1.00 0.00 ? 19 ARG A CG 30 ATOM 41431 C CD . ARG A 1 19 ? -5.612 -6.887 6.215 1.00 0.00 ? 19 ARG A CD 30 ATOM 41432 N NE . ARG A 1 19 ? -5.326 -8.132 6.922 1.00 0.00 ? 19 ARG A NE 30 ATOM 41433 C CZ . ARG A 1 19 ? -4.999 -9.266 6.311 1.00 0.00 ? 19 ARG A CZ 30 ATOM 41434 N NH1 . ARG A 1 19 ? -4.916 -9.310 4.988 1.00 0.00 ? 19 ARG A NH1 30 ATOM 41435 N NH2 . ARG A 1 19 ? -4.753 -10.357 7.023 1.00 0.00 ? 19 ARG A NH2 30 ATOM 41436 H H . ARG A 1 19 ? -5.594 -2.755 4.431 1.00 0.00 ? 19 ARG A H 30 ATOM 41437 H HA . ARG A 1 19 ? -3.479 -3.768 6.032 1.00 0.00 ? 19 ARG A HA 30 ATOM 41438 H HB2 . ARG A 1 19 ? -5.676 -4.854 4.799 1.00 0.00 ? 19 ARG A HB2 30 ATOM 41439 H HB3 . ARG A 1 19 ? -4.359 -5.471 3.811 1.00 0.00 ? 19 ARG A HB3 30 ATOM 41440 H HG2 . ARG A 1 19 ? -3.638 -6.858 5.415 1.00 0.00 ? 19 ARG A HG2 30 ATOM 41441 H HG3 . ARG A 1 19 ? -3.920 -5.684 6.702 1.00 0.00 ? 19 ARG A HG3 30 ATOM 41442 H HD2 . ARG A 1 19 ? -6.201 -6.247 6.857 1.00 0.00 ? 19 ARG A HD2 30 ATOM 41443 H HD3 . ARG A 1 19 ? -6.173 -7.112 5.320 1.00 0.00 ? 19 ARG A HD3 30 ATOM 41444 H HE . ARG A 1 19 ? -5.381 -8.122 7.900 1.00 0.00 ? 19 ARG A HE 30 ATOM 41445 H HH11 . ARG A 1 19 ? -5.101 -8.488 4.449 1.00 0.00 ? 19 ARG A HH11 30 ATOM 41446 H HH12 . ARG A 1 19 ? -4.669 -10.164 4.531 1.00 0.00 ? 19 ARG A HH12 30 ATOM 41447 H HH21 . ARG A 1 19 ? -4.813 -10.327 8.020 1.00 0.00 ? 19 ARG A HH21 30 ATOM 41448 H HH22 . ARG A 1 19 ? -4.506 -11.210 6.562 1.00 0.00 ? 19 ARG A HH22 30 ATOM 41449 N N . LEU A 1 20 ? -2.904 -3.464 2.791 1.00 0.00 ? 20 LEU A N 30 ATOM 41450 C CA . LEU A 1 20 ? -1.838 -3.385 1.801 1.00 0.00 ? 20 LEU A CA 30 ATOM 41451 C C . LEU A 1 20 ? -1.006 -2.123 2.003 1.00 0.00 ? 20 LEU A C 30 ATOM 41452 O O . LEU A 1 20 ? 0.167 -2.075 1.632 1.00 0.00 ? 20 LEU A O 30 ATOM 41453 C CB . LEU A 1 20 ? -2.422 -3.413 0.388 1.00 0.00 ? 20 LEU A CB 30 ATOM 41454 C CG . LEU A 1 20 ? -2.694 -4.810 -0.173 1.00 0.00 ? 20 LEU A CG 30 ATOM 41455 C CD1 . LEU A 1 20 ? -1.396 -5.481 -0.589 1.00 0.00 ? 20 LEU A CD1 30 ATOM 41456 C CD2 . LEU A 1 20 ? -3.430 -5.659 0.853 1.00 0.00 ? 20 LEU A CD2 30 ATOM 41457 H H . LEU A 1 20 ? -3.833 -3.322 2.508 1.00 0.00 ? 20 LEU A H 30 ATOM 41458 H HA . LEU A 1 20 ? -1.200 -4.245 1.933 1.00 0.00 ? 20 LEU A HA 30 ATOM 41459 H HB2 . LEU A 1 20 ? -3.351 -2.862 0.393 1.00 0.00 ? 20 LEU A HB2 30 ATOM 41460 H HB3 . LEU A 1 20 ? -1.730 -2.914 -0.275 1.00 0.00 ? 20 LEU A HB3 30 ATOM 41461 H HG . LEU A 1 20 ? -3.322 -4.724 -1.047 1.00 0.00 ? 20 LEU A HG 30 ATOM 41462 H HD11 . LEU A 1 20 ? -0.638 -4.729 -0.754 1.00 0.00 ? 20 LEU A HD11 30 ATOM 41463 H HD12 . LEU A 1 20 ? -1.070 -6.154 0.191 1.00 0.00 ? 20 LEU A HD12 30 ATOM 41464 H HD13 . LEU A 1 20 ? -1.554 -6.038 -1.501 1.00 0.00 ? 20 LEU A HD13 30 ATOM 41465 H HD21 . LEU A 1 20 ? -4.269 -5.104 1.246 1.00 0.00 ? 20 LEU A HD21 30 ATOM 41466 H HD22 . LEU A 1 20 ? -3.786 -6.565 0.384 1.00 0.00 ? 20 LEU A HD22 30 ATOM 41467 H HD23 . LEU A 1 20 ? -2.757 -5.913 1.660 1.00 0.00 ? 20 LEU A HD23 30 ATOM 41468 N N . GLN A 1 21 ? -1.618 -1.106 2.602 1.00 0.00 ? 21 GLN A N 30 ATOM 41469 C CA . GLN A 1 21 ? -0.928 0.152 2.862 1.00 0.00 ? 21 GLN A CA 30 ATOM 41470 C C . GLN A 1 21 ? -0.007 0.015 4.068 1.00 0.00 ? 21 GLN A C 30 ATOM 41471 O O . GLN A 1 21 ? 1.034 0.666 4.146 1.00 0.00 ? 21 GLN A O 30 ATOM 41472 C CB . GLN A 1 21 ? -1.937 1.277 3.098 1.00 0.00 ? 21 GLN A CB 30 ATOM 41473 C CG . GLN A 1 21 ? -1.301 2.582 3.546 1.00 0.00 ? 21 GLN A CG 30 ATOM 41474 C CD . GLN A 1 21 ? -2.041 3.800 3.029 1.00 0.00 ? 21 GLN A CD 30 ATOM 41475 O OE1 . GLN A 1 21 ? -1.509 4.573 2.231 1.00 0.00 ? 21 GLN A OE1 30 ATOM 41476 N NE2 . GLN A 1 21 ? -3.277 3.979 3.483 1.00 0.00 ? 21 GLN A NE2 30 ATOM 41477 H H . GLN A 1 21 ? -2.552 -1.205 2.881 1.00 0.00 ? 21 GLN A H 30 ATOM 41478 H HA . GLN A 1 21 ? -0.331 0.388 1.994 1.00 0.00 ? 21 GLN A HA 30 ATOM 41479 H HB2 . GLN A 1 21 ? -2.474 1.462 2.178 1.00 0.00 ? 21 GLN A HB2 30 ATOM 41480 H HB3 . GLN A 1 21 ? -2.638 0.964 3.857 1.00 0.00 ? 21 GLN A HB3 30 ATOM 41481 H HG2 . GLN A 1 21 ? -1.298 2.614 4.625 1.00 0.00 ? 21 GLN A HG2 30 ATOM 41482 H HG3 . GLN A 1 21 ? -0.283 2.616 3.183 1.00 0.00 ? 21 GLN A HG3 30 ATOM 41483 H HE21 . GLN A 1 21 ? -3.636 3.324 4.118 1.00 0.00 ? 21 GLN A HE21 30 ATOM 41484 H HE22 . GLN A 1 21 ? -3.778 4.758 3.165 1.00 0.00 ? 21 GLN A HE22 30 ATOM 41485 N N . LYS A 1 22 ? -0.394 -0.846 5.003 1.00 0.00 ? 22 LYS A N 30 ATOM 41486 C CA . LYS A 1 22 ? 0.402 -1.078 6.200 1.00 0.00 ? 22 LYS A CA 30 ATOM 41487 C C . LYS A 1 22 ? 1.678 -1.831 5.847 1.00 0.00 ? 22 LYS A C 30 ATOM 41488 O O . LYS A 1 22 ? 2.760 -1.513 6.343 1.00 0.00 ? 22 LYS A O 30 ATOM 41489 C CB . LYS A 1 22 ? -0.403 -1.868 7.233 1.00 0.00 ? 22 LYS A CB 30 ATOM 41490 C CG . LYS A 1 22 ? -0.103 -1.475 8.670 1.00 0.00 ? 22 LYS A CG 30 ATOM 41491 C CD . LYS A 1 22 ? 0.186 -2.693 9.532 1.00 0.00 ? 22 LYS A CD 30 ATOM 41492 C CE . LYS A 1 22 ? 1.668 -3.035 9.534 1.00 0.00 ? 22 LYS A CE 30 ATOM 41493 N NZ . LYS A 1 22 ? 2.216 -3.119 10.915 1.00 0.00 ? 22 LYS A NZ 30 ATOM 41494 H H . LYS A 1 22 ? -1.230 -1.342 4.881 1.00 0.00 ? 22 LYS A H 30 ATOM 41495 H HA . LYS A 1 22 ? 0.666 -0.118 6.617 1.00 0.00 ? 22 LYS A HA 30 ATOM 41496 H HB2 . LYS A 1 22 ? -1.456 -1.707 7.051 1.00 0.00 ? 22 LYS A HB2 30 ATOM 41497 H HB3 . LYS A 1 22 ? -0.184 -2.919 7.117 1.00 0.00 ? 22 LYS A HB3 30 ATOM 41498 H HG2 . LYS A 1 22 ? 0.759 -0.825 8.682 1.00 0.00 ? 22 LYS A HG2 30 ATOM 41499 H HG3 . LYS A 1 22 ? -0.956 -0.952 9.076 1.00 0.00 ? 22 LYS A HG3 30 ATOM 41500 H HD2 . LYS A 1 22 ? -0.127 -2.488 10.544 1.00 0.00 ? 22 LYS A HD2 30 ATOM 41501 H HD3 . LYS A 1 22 ? -0.369 -3.535 9.145 1.00 0.00 ? 22 LYS A HD3 30 ATOM 41502 H HE2 . LYS A 1 22 ? 1.804 -3.987 9.044 1.00 0.00 ? 22 LYS A HE2 30 ATOM 41503 H HE3 . LYS A 1 22 ? 2.200 -2.270 8.989 1.00 0.00 ? 22 LYS A HE3 30 ATOM 41504 H HZ1 . LYS A 1 22 ? 1.702 -2.469 11.544 1.00 0.00 ? 22 LYS A HZ1 30 ATOM 41505 H HZ2 . LYS A 1 22 ? 2.119 -4.087 11.281 1.00 0.00 ? 22 LYS A HZ2 30 ATOM 41506 H HZ3 . LYS A 1 22 ? 3.225 -2.861 10.915 1.00 0.00 ? 22 LYS A HZ3 30 ATOM 41507 N N . GLU A 1 23 ? 1.544 -2.828 4.978 1.00 0.00 ? 23 GLU A N 30 ATOM 41508 C CA . GLU A 1 23 ? 2.687 -3.624 4.548 1.00 0.00 ? 23 GLU A CA 30 ATOM 41509 C C . GLU A 1 23 ? 3.685 -2.762 3.784 1.00 0.00 ? 23 GLU A C 30 ATOM 41510 O O . GLU A 1 23 ? 4.887 -2.810 4.046 1.00 0.00 ? 23 GLU A O 30 ATOM 41511 C CB . GLU A 1 23 ? 2.225 -4.793 3.675 1.00 0.00 ? 23 GLU A CB 30 ATOM 41512 C CG . GLU A 1 23 ? 3.097 -6.031 3.806 1.00 0.00 ? 23 GLU A CG 30 ATOM 41513 C CD . GLU A 1 23 ? 2.347 -7.212 4.391 1.00 0.00 ? 23 GLU A CD 30 ATOM 41514 O OE1 . GLU A 1 23 ? 2.289 -7.322 5.634 1.00 0.00 ? 23 GLU A OE1 30 ATOM 41515 O OE2 . GLU A 1 23 ? 1.820 -8.027 3.605 1.00 0.00 ? 23 GLU A OE2 30 ATOM 41516 H H . GLU A 1 23 ? 0.655 -3.031 4.614 1.00 0.00 ? 23 GLU A H 30 ATOM 41517 H HA . GLU A 1 23 ? 3.170 -4.012 5.433 1.00 0.00 ? 23 GLU A HA 30 ATOM 41518 H HB2 . GLU A 1 23 ? 1.216 -5.058 3.953 1.00 0.00 ? 23 GLU A HB2 30 ATOM 41519 H HB3 . GLU A 1 23 ? 2.235 -4.480 2.641 1.00 0.00 ? 23 GLU A HB3 30 ATOM 41520 H HG2 . GLU A 1 23 ? 3.462 -6.304 2.827 1.00 0.00 ? 23 GLU A HG2 30 ATOM 41521 H HG3 . GLU A 1 23 ? 3.934 -5.800 4.450 1.00 0.00 ? 23 GLU A HG3 30 ATOM 41522 N N . ILE A 1 24 ? 3.181 -1.966 2.844 1.00 0.00 ? 24 ILE A N 30 ATOM 41523 C CA . ILE A 1 24 ? 4.038 -1.091 2.058 1.00 0.00 ? 24 ILE A CA 30 ATOM 41524 C C . ILE A 1 24 ? 4.702 -0.057 2.958 1.00 0.00 ? 24 ILE A C 30 ATOM 41525 O O . ILE A 1 24 ? 5.796 0.424 2.665 1.00 0.00 ? 24 ILE A O 30 ATOM 41526 C CB . ILE A 1 24 ? 3.249 -0.374 0.942 1.00 0.00 ? 24 ILE A CB 30 ATOM 41527 C CG1 . ILE A 1 24 ? 4.179 0.493 0.085 1.00 0.00 ? 24 ILE A CG1 30 ATOM 41528 C CG2 . ILE A 1 24 ? 2.123 0.456 1.531 1.00 0.00 ? 24 ILE A CG2 30 ATOM 41529 C CD1 . ILE A 1 24 ? 4.580 1.802 0.730 1.00 0.00 ? 24 ILE A CD1 30 ATOM 41530 H H . ILE A 1 24 ? 2.213 -1.964 2.683 1.00 0.00 ? 24 ILE A H 30 ATOM 41531 H HA . ILE A 1 24 ? 4.805 -1.699 1.598 1.00 0.00 ? 24 ILE A HA 30 ATOM 41532 H HB . ILE A 1 24 ? 2.804 -1.130 0.314 1.00 0.00 ? 24 ILE A HB 30 ATOM 41533 H HG12 . ILE A 1 24 ? 5.081 -0.059 -0.125 1.00 0.00 ? 24 ILE A HG12 30 ATOM 41534 H HG13 . ILE A 1 24 ? 3.681 0.723 -0.846 1.00 0.00 ? 24 ILE A HG13 30 ATOM 41535 H HG21 . ILE A 1 24 ? 1.526 -0.162 2.183 1.00 0.00 ? 24 ILE A HG21 30 ATOM 41536 H HG22 . ILE A 1 24 ? 2.537 1.280 2.092 1.00 0.00 ? 24 ILE A HG22 30 ATOM 41537 H HG23 . ILE A 1 24 ? 1.504 0.838 0.731 1.00 0.00 ? 24 ILE A HG23 30 ATOM 41538 H HD11 . ILE A 1 24 ? 4.067 1.912 1.673 1.00 0.00 ? 24 ILE A HD11 30 ATOM 41539 H HD12 . ILE A 1 24 ? 5.648 1.806 0.896 1.00 0.00 ? 24 ILE A HD12 30 ATOM 41540 H HD13 . ILE A 1 24 ? 4.315 2.621 0.077 1.00 0.00 ? 24 ILE A HD13 30 ATOM 41541 N N . GLU A 1 25 ? 4.035 0.273 4.058 1.00 0.00 ? 25 GLU A N 30 ATOM 41542 C CA . GLU A 1 25 ? 4.563 1.243 5.009 1.00 0.00 ? 25 GLU A CA 30 ATOM 41543 C C . GLU A 1 25 ? 5.854 0.730 5.635 1.00 0.00 ? 25 GLU A C 30 ATOM 41544 O O . GLU A 1 25 ? 6.853 1.445 5.700 1.00 0.00 ? 25 GLU A O 30 ATOM 41545 C CB . GLU A 1 25 ? 3.532 1.536 6.100 1.00 0.00 ? 25 GLU A CB 30 ATOM 41546 C CG . GLU A 1 25 ? 3.956 2.636 7.059 1.00 0.00 ? 25 GLU A CG 30 ATOM 41547 C CD . GLU A 1 25 ? 2.792 3.203 7.848 1.00 0.00 ? 25 GLU A CD 30 ATOM 41548 O OE1 . GLU A 1 25 ? 2.128 4.132 7.341 1.00 0.00 ? 25 GLU A OE1 30 ATOM 41549 O OE2 . GLU A 1 25 ? 2.544 2.718 8.971 1.00 0.00 ? 25 GLU A OE2 30 ATOM 41550 H H . GLU A 1 25 ? 3.170 -0.150 4.238 1.00 0.00 ? 25 GLU A H 30 ATOM 41551 H HA . GLU A 1 25 ? 4.774 2.156 4.470 1.00 0.00 ? 25 GLU A HA 30 ATOM 41552 H HB2 . GLU A 1 25 ? 2.604 1.833 5.633 1.00 0.00 ? 25 GLU A HB2 30 ATOM 41553 H HB3 . GLU A 1 25 ? 3.364 0.635 6.671 1.00 0.00 ? 25 GLU A HB3 30 ATOM 41554 H HG2 . GLU A 1 25 ? 4.677 2.232 7.753 1.00 0.00 ? 25 GLU A HG2 30 ATOM 41555 H HG3 . GLU A 1 25 ? 4.411 3.435 6.492 1.00 0.00 ? 25 GLU A HG3 30 ATOM 41556 N N . ARG A 1 26 ? 5.827 -0.520 6.088 1.00 0.00 ? 26 ARG A N 30 ATOM 41557 C CA . ARG A 1 26 ? 7.000 -1.131 6.702 1.00 0.00 ? 26 ARG A CA 30 ATOM 41558 C C . ARG A 1 26 ? 8.135 -1.242 5.690 1.00 0.00 ? 26 ARG A C 30 ATOM 41559 O O . ARG A 1 26 ? 9.299 -0.987 6.010 1.00 0.00 ? 26 ARG A O 30 ATOM 41560 C CB . ARG A 1 26 ? 6.652 -2.516 7.253 1.00 0.00 ? 26 ARG A CB 30 ATOM 41561 C CG . ARG A 1 26 ? 7.752 -3.124 8.108 1.00 0.00 ? 26 ARG A CG 30 ATOM 41562 C CD . ARG A 1 26 ? 7.738 -4.641 8.038 1.00 0.00 ? 26 ARG A CD 30 ATOM 41563 N NE . ARG A 1 26 ? 7.654 -5.250 9.362 1.00 0.00 ? 26 ARG A NE 30 ATOM 41564 C CZ . ARG A 1 26 ? 7.524 -6.557 9.565 1.00 0.00 ? 26 ARG A CZ 30 ATOM 41565 N NH1 . ARG A 1 26 ? 7.463 -7.388 8.533 1.00 0.00 ? 26 ARG A NH1 30 ATOM 41566 N NH2 . ARG A 1 26 ? 7.456 -7.035 10.800 1.00 0.00 ? 26 ARG A NH2 30 ATOM 41567 H H . ARG A 1 26 ? 5.001 -1.046 6.004 1.00 0.00 ? 26 ARG A H 30 ATOM 41568 H HA . ARG A 1 26 ? 7.318 -0.497 7.516 1.00 0.00 ? 26 ARG A HA 30 ATOM 41569 H HB2 . ARG A 1 26 ? 5.760 -2.438 7.855 1.00 0.00 ? 26 ARG A HB2 30 ATOM 41570 H HB3 . ARG A 1 26 ? 6.461 -3.182 6.425 1.00 0.00 ? 26 ARG A HB3 30 ATOM 41571 H HG2 . ARG A 1 26 ? 8.708 -2.766 7.757 1.00 0.00 ? 26 ARG A HG2 30 ATOM 41572 H HG3 . ARG A 1 26 ? 7.607 -2.818 9.135 1.00 0.00 ? 26 ARG A HG3 30 ATOM 41573 H HD2 . ARG A 1 26 ? 6.885 -4.954 7.455 1.00 0.00 ? 26 ARG A HD2 30 ATOM 41574 H HD3 . ARG A 1 26 ? 8.644 -4.976 7.555 1.00 0.00 ? 26 ARG A HD3 30 ATOM 41575 H HE . ARG A 1 26 ? 7.697 -4.654 10.139 1.00 0.00 ? 26 ARG A HE 30 ATOM 41576 H HH11 . ARG A 1 26 ? 7.515 -7.031 7.601 1.00 0.00 ? 26 ARG A HH11 30 ATOM 41577 H HH12 . ARG A 1 26 ? 7.365 -8.371 8.687 1.00 0.00 ? 26 ARG A HH12 30 ATOM 41578 H HH21 . ARG A 1 26 ? 7.502 -6.412 11.581 1.00 0.00 ? 26 ARG A HH21 30 ATOM 41579 H HH22 . ARG A 1 26 ? 7.357 -8.019 10.951 1.00 0.00 ? 26 ARG A HH22 30 ATOM 41580 N N . HIS A 1 27 ? 7.787 -1.611 4.461 1.00 0.00 ? 27 HIS A N 30 ATOM 41581 C CA . HIS A 1 27 ? 8.771 -1.741 3.403 1.00 0.00 ? 27 HIS A CA 30 ATOM 41582 C C . HIS A 1 27 ? 9.277 -0.370 2.969 1.00 0.00 ? 27 HIS A C 30 ATOM 41583 O O . HIS A 1 27 ? 10.344 -0.256 2.370 1.00 0.00 ? 27 HIS A O 30 ATOM 41584 C CB . HIS A 1 27 ? 8.167 -2.485 2.212 1.00 0.00 ? 27 HIS A CB 30 ATOM 41585 C CG . HIS A 1 27 ? 8.916 -3.727 1.842 1.00 0.00 ? 27 HIS A CG 30 ATOM 41586 N ND1 . HIS A 1 27 ? 9.998 -3.729 0.986 1.00 0.00 ? 27 HIS A ND1 30 ATOM 41587 C CD2 . HIS A 1 27 ? 8.736 -5.014 2.219 1.00 0.00 ? 27 HIS A CD2 30 ATOM 41588 C CE1 . HIS A 1 27 ? 10.450 -4.964 0.853 1.00 0.00 ? 27 HIS A CE1 30 ATOM 41589 N NE2 . HIS A 1 27 ? 9.702 -5.762 1.592 1.00 0.00 ? 27 HIS A NE2 30 ATOM 41590 H H . HIS A 1 27 ? 6.844 -1.786 4.258 1.00 0.00 ? 27 HIS A H 30 ATOM 41591 H HA . HIS A 1 27 ? 9.601 -2.313 3.790 1.00 0.00 ? 27 HIS A HA 30 ATOM 41592 H HB2 . HIS A 1 27 ? 7.153 -2.769 2.451 1.00 0.00 ? 27 HIS A HB2 30 ATOM 41593 H HB3 . HIS A 1 27 ? 8.159 -1.832 1.354 1.00 0.00 ? 27 HIS A HB3 30 ATOM 41594 H HD1 . HIS A 1 27 ? 10.378 -2.943 0.542 1.00 0.00 ? 27 HIS A HD1 30 ATOM 41595 H HD2 . HIS A 1 27 ? 7.973 -5.384 2.892 1.00 0.00 ? 27 HIS A HD2 30 ATOM 41596 H HE1 . HIS A 1 27 ? 11.289 -5.268 0.245 1.00 0.00 ? 27 HIS A HE1 30 ATOM 41597 H HE2 . HIS A 1 27 ? 9.819 -6.731 1.677 1.00 0.00 ? 27 HIS A HE2 30 ATOM 41598 N N . LYS A 1 28 ? 8.506 0.671 3.282 1.00 0.00 ? 28 LYS A N 30 ATOM 41599 C CA . LYS A 1 28 ? 8.880 2.033 2.931 1.00 0.00 ? 28 LYS A CA 30 ATOM 41600 C C . LYS A 1 28 ? 9.943 2.556 3.889 1.00 0.00 ? 28 LYS A C 30 ATOM 41601 O O . LYS A 1 28 ? 10.818 3.329 3.501 1.00 0.00 ? 28 LYS A O 30 ATOM 41602 C CB . LYS A 1 28 ? 7.655 2.948 2.957 1.00 0.00 ? 28 LYS A CB 30 ATOM 41603 C CG . LYS A 1 28 ? 7.874 4.280 2.260 1.00 0.00 ? 28 LYS A CG 30 ATOM 41604 C CD . LYS A 1 28 ? 6.793 5.283 2.623 1.00 0.00 ? 28 LYS A CD 30 ATOM 41605 C CE . LYS A 1 28 ? 5.421 4.813 2.165 1.00 0.00 ? 28 LYS A CE 30 ATOM 41606 N NZ . LYS A 1 28 ? 5.102 5.284 0.789 1.00 0.00 ? 28 LYS A NZ 30 ATOM 41607 H H . LYS A 1 28 ? 7.668 0.520 3.765 1.00 0.00 ? 28 LYS A H 30 ATOM 41608 H HA . LYS A 1 28 ? 9.288 2.017 1.934 1.00 0.00 ? 28 LYS A HA 30 ATOM 41609 H HB2 . LYS A 1 28 ? 6.834 2.443 2.471 1.00 0.00 ? 28 LYS A HB2 30 ATOM 41610 H HB3 . LYS A 1 28 ? 7.388 3.143 3.985 1.00 0.00 ? 28 LYS A HB3 30 ATOM 41611 H HG2 . LYS A 1 28 ? 8.834 4.677 2.558 1.00 0.00 ? 28 LYS A HG2 30 ATOM 41612 H HG3 . LYS A 1 28 ? 7.864 4.122 1.191 1.00 0.00 ? 28 LYS A HG3 30 ATOM 41613 H HD2 . LYS A 1 28 ? 6.779 5.412 3.695 1.00 0.00 ? 28 LYS A HD2 30 ATOM 41614 H HD3 . LYS A 1 28 ? 7.017 6.227 2.148 1.00 0.00 ? 28 LYS A HD3 30 ATOM 41615 H HE2 . LYS A 1 28 ? 5.401 3.733 2.180 1.00 0.00 ? 28 LYS A HE2 30 ATOM 41616 H HE3 . LYS A 1 28 ? 4.677 5.196 2.849 1.00 0.00 ? 28 LYS A HE3 30 ATOM 41617 H HZ1 . LYS A 1 28 ? 5.870 5.026 0.136 1.00 0.00 ? 28 LYS A HZ1 30 ATOM 41618 H HZ2 . LYS A 1 28 ? 4.219 4.847 0.457 1.00 0.00 ? 28 LYS A HZ2 30 ATOM 41619 H HZ3 . LYS A 1 28 ? 4.988 6.318 0.783 1.00 0.00 ? 28 LYS A HZ3 30 ATOM 41620 N N . GLN A 1 29 ? 9.861 2.120 5.141 1.00 0.00 ? 29 GLN A N 30 ATOM 41621 C CA . GLN A 1 29 ? 10.820 2.536 6.156 1.00 0.00 ? 29 GLN A CA 30 ATOM 41622 C C . GLN A 1 29 ? 12.173 1.883 5.909 1.00 0.00 ? 29 GLN A C 30 ATOM 41623 O O . GLN A 1 29 ? 13.218 2.512 6.077 1.00 0.00 ? 29 GLN A O 30 ATOM 41624 C CB . GLN A 1 29 ? 10.309 2.174 7.552 1.00 0.00 ? 29 GLN A CB 30 ATOM 41625 C CG . GLN A 1 29 ? 11.264 2.565 8.669 1.00 0.00 ? 29 GLN A CG 30 ATOM 41626 C CD . GLN A 1 29 ? 10.853 1.996 10.013 1.00 0.00 ? 29 GLN A CD 30 ATOM 41627 O OE1 . GLN A 1 29 ? 9.864 2.428 10.606 1.00 0.00 ? 29 GLN A OE1 30 ATOM 41628 N NE2 . GLN A 1 29 ? 11.612 1.023 10.501 1.00 0.00 ? 29 GLN A NE2 30 ATOM 41629 H H . GLN A 1 29 ? 9.142 1.500 5.388 1.00 0.00 ? 29 GLN A H 30 ATOM 41630 H HA . GLN A 1 29 ? 10.931 3.608 6.088 1.00 0.00 ? 29 GLN A HA 30 ATOM 41631 H HB2 . GLN A 1 29 ? 9.368 2.677 7.721 1.00 0.00 ? 29 GLN A HB2 30 ATOM 41632 H HB3 . GLN A 1 29 ? 10.151 1.107 7.600 1.00 0.00 ? 29 GLN A HB3 30 ATOM 41633 H HG2 . GLN A 1 29 ? 12.250 2.198 8.427 1.00 0.00 ? 29 GLN A HG2 30 ATOM 41634 H HG3 . GLN A 1 29 ? 11.289 3.642 8.742 1.00 0.00 ? 29 GLN A HG3 30 ATOM 41635 H HE21 . GLN A 1 29 ? 12.384 0.730 9.974 1.00 0.00 ? 29 GLN A HE21 30 ATOM 41636 H HE22 . GLN A 1 29 ? 11.369 0.636 11.368 1.00 0.00 ? 29 GLN A HE22 30 ATOM 41637 N N . SER A 1 30 ? 12.147 0.616 5.506 1.00 0.00 ? 30 SER A N 30 ATOM 41638 C CA . SER A 1 30 ? 13.376 -0.121 5.231 1.00 0.00 ? 30 SER A CA 30 ATOM 41639 C C . SER A 1 30 ? 14.056 0.399 3.967 1.00 0.00 ? 30 SER A C 30 ATOM 41640 O O . SER A 1 30 ? 15.274 0.581 3.935 1.00 0.00 ? 30 SER A O 30 ATOM 41641 C CB . SER A 1 30 ? 13.078 -1.615 5.086 1.00 0.00 ? 30 SER A CB 30 ATOM 41642 O OG . SER A 1 30 ? 12.643 -1.923 3.773 1.00 0.00 ? 30 SER A OG 30 ATOM 41643 H H . SER A 1 30 ? 11.280 0.166 5.389 1.00 0.00 ? 30 SER A H 30 ATOM 41644 H HA . SER A 1 30 ? 14.043 0.023 6.068 1.00 0.00 ? 30 SER A HA 30 ATOM 41645 H HB2 . SER A 1 30 ? 13.974 -2.181 5.297 1.00 0.00 ? 30 SER A HB2 30 ATOM 41646 H HB3 . SER A 1 30 ? 12.302 -1.895 5.784 1.00 0.00 ? 30 SER A HB3 30 ATOM 41647 H HG . SER A 1 30 ? 13.268 -2.526 3.362 1.00 0.00 ? 30 SER A HG 30 ATOM 41648 N N . ILE A 1 31 ? 13.262 0.637 2.927 1.00 0.00 ? 31 ILE A N 30 ATOM 41649 C CA . ILE A 1 31 ? 13.786 1.138 1.659 1.00 0.00 ? 31 ILE A CA 30 ATOM 41650 C C . ILE A 1 31 ? 14.206 2.599 1.779 1.00 0.00 ? 31 ILE A C 30 ATOM 41651 O O . ILE A 1 31 ? 15.055 3.075 1.026 1.00 0.00 ? 31 ILE A O 30 ATOM 41652 C CB . ILE A 1 31 ? 12.741 0.994 0.537 1.00 0.00 ? 31 ILE A CB 30 ATOM 41653 C CG1 . ILE A 1 31 ? 13.260 1.559 -0.785 1.00 0.00 ? 31 ILE A CG1 30 ATOM 41654 C CG2 . ILE A 1 31 ? 11.452 1.696 0.926 1.00 0.00 ? 31 ILE A CG2 30 ATOM 41655 C CD1 . ILE A 1 31 ? 14.297 0.688 -1.451 1.00 0.00 ? 31 ILE A CD1 30 ATOM 41656 H H . ILE A 1 31 ? 12.299 0.474 3.015 1.00 0.00 ? 31 ILE A H 30 ATOM 41657 H HA . ILE A 1 31 ? 14.650 0.545 1.398 1.00 0.00 ? 31 ILE A HA 30 ATOM 41658 H HB . ILE A 1 31 ? 12.531 -0.059 0.412 1.00 0.00 ? 31 ILE A HB 30 ATOM 41659 H HG12 . ILE A 1 31 ? 12.430 1.662 -1.470 1.00 0.00 ? 31 ILE A HG12 30 ATOM 41660 H HG13 . ILE A 1 31 ? 13.700 2.529 -0.608 1.00 0.00 ? 31 ILE A HG13 30 ATOM 41661 H HG21 . ILE A 1 31 ? 11.445 1.874 1.990 1.00 0.00 ? 31 ILE A HG21 30 ATOM 41662 H HG22 . ILE A 1 31 ? 11.385 2.638 0.403 1.00 0.00 ? 31 ILE A HG22 30 ATOM 41663 H HG23 . ILE A 1 31 ? 10.612 1.076 0.659 1.00 0.00 ? 31 ILE A HG23 30 ATOM 41664 H HD11 . ILE A 1 31 ? 14.993 0.325 -0.710 1.00 0.00 ? 31 ILE A HD11 30 ATOM 41665 H HD12 . ILE A 1 31 ? 13.808 -0.149 -1.925 1.00 0.00 ? 31 ILE A HD12 30 ATOM 41666 H HD13 . ILE A 1 31 ? 14.828 1.264 -2.194 1.00 0.00 ? 31 ILE A HD13 30 ATOM 41667 N N . LYS A 1 32 ? 13.609 3.304 2.736 1.00 0.00 ? 32 LYS A N 30 ATOM 41668 C CA . LYS A 1 32 ? 13.928 4.708 2.959 1.00 0.00 ? 32 LYS A CA 30 ATOM 41669 C C . LYS A 1 32 ? 15.239 4.844 3.723 1.00 0.00 ? 32 LYS A C 30 ATOM 41670 O O . LYS A 1 32 ? 16.014 5.773 3.490 1.00 0.00 ? 32 LYS A O 30 ATOM 41671 C CB . LYS A 1 32 ? 12.799 5.395 3.730 1.00 0.00 ? 32 LYS A CB 30 ATOM 41672 C CG . LYS A 1 32 ? 13.053 6.870 3.995 1.00 0.00 ? 32 LYS A CG 30 ATOM 41673 C CD . LYS A 1 32 ? 11.960 7.741 3.398 1.00 0.00 ? 32 LYS A CD 30 ATOM 41674 C CE . LYS A 1 32 ? 10.586 7.340 3.911 1.00 0.00 ? 32 LYS A CE 30 ATOM 41675 N NZ . LYS A 1 32 ? 9.620 7.122 2.799 1.00 0.00 ? 32 LYS A NZ 30 ATOM 41676 H H . LYS A 1 32 ? 12.945 2.868 3.309 1.00 0.00 ? 32 LYS A H 30 ATOM 41677 H HA . LYS A 1 32 ? 14.036 5.181 1.994 1.00 0.00 ? 32 LYS A HA 30 ATOM 41678 H HB2 . LYS A 1 32 ? 11.885 5.307 3.161 1.00 0.00 ? 32 LYS A HB2 30 ATOM 41679 H HB3 . LYS A 1 32 ? 12.673 4.897 4.680 1.00 0.00 ? 32 LYS A HB3 30 ATOM 41680 H HG2 . LYS A 1 32 ? 13.087 7.033 5.062 1.00 0.00 ? 32 LYS A HG2 30 ATOM 41681 H HG3 . LYS A 1 32 ? 14.002 7.146 3.557 1.00 0.00 ? 32 LYS A HG3 30 ATOM 41682 H HD2 . LYS A 1 32 ? 12.146 8.769 3.665 1.00 0.00 ? 32 LYS A HD2 30 ATOM 41683 H HD3 . LYS A 1 32 ? 11.979 7.636 2.323 1.00 0.00 ? 32 LYS A HD3 30 ATOM 41684 H HE2 . LYS A 1 32 ? 10.681 6.425 4.477 1.00 0.00 ? 32 LYS A HE2 30 ATOM 41685 H HE3 . LYS A 1 32 ? 10.213 8.124 4.553 1.00 0.00 ? 32 LYS A HE3 30 ATOM 41686 H HZ1 . LYS A 1 32 ? 9.576 7.966 2.193 1.00 0.00 ? 32 LYS A HZ1 30 ATOM 41687 H HZ2 . LYS A 1 32 ? 9.916 6.310 2.221 1.00 0.00 ? 32 LYS A HZ2 30 ATOM 41688 H HZ3 . LYS A 1 32 ? 8.671 6.935 3.182 1.00 0.00 ? 32 LYS A HZ3 30 ATOM 41689 N N . LYS A 1 33 ? 15.486 3.905 4.631 1.00 0.00 ? 33 LYS A N 30 ATOM 41690 C CA . LYS A 1 33 ? 16.709 3.914 5.424 1.00 0.00 ? 33 LYS A CA 30 ATOM 41691 C C . LYS A 1 33 ? 17.903 3.519 4.564 1.00 0.00 ? 33 LYS A C 30 ATOM 41692 O O . LYS A 1 33 ? 19.018 4.001 4.769 1.00 0.00 ? 33 LYS A O 30 ATOM 41693 C CB . LYS A 1 33 ? 16.580 2.958 6.612 1.00 0.00 ? 33 LYS A CB 30 ATOM 41694 C CG . LYS A 1 33 ? 17.800 2.948 7.519 1.00 0.00 ? 33 LYS A CG 30 ATOM 41695 C CD . LYS A 1 33 ? 17.910 1.643 8.290 1.00 0.00 ? 33 LYS A CD 30 ATOM 41696 C CE . LYS A 1 33 ? 16.920 1.590 9.442 1.00 0.00 ? 33 LYS A CE 30 ATOM 41697 N NZ . LYS A 1 33 ? 16.823 0.226 10.031 1.00 0.00 ? 33 LYS A NZ 30 ATOM 41698 H H . LYS A 1 33 ? 14.834 3.187 4.767 1.00 0.00 ? 33 LYS A H 30 ATOM 41699 H HA . LYS A 1 33 ? 16.859 4.917 5.793 1.00 0.00 ? 33 LYS A HA 30 ATOM 41700 H HB2 . LYS A 1 33 ? 15.723 3.247 7.201 1.00 0.00 ? 33 LYS A HB2 30 ATOM 41701 H HB3 . LYS A 1 33 ? 16.429 1.956 6.239 1.00 0.00 ? 33 LYS A HB3 30 ATOM 41702 H HG2 . LYS A 1 33 ? 18.687 3.073 6.916 1.00 0.00 ? 33 LYS A HG2 30 ATOM 41703 H HG3 . LYS A 1 33 ? 17.721 3.765 8.221 1.00 0.00 ? 33 LYS A HG3 30 ATOM 41704 H HD2 . LYS A 1 33 ? 17.708 0.821 7.618 1.00 0.00 ? 33 LYS A HD2 30 ATOM 41705 H HD3 . LYS A 1 33 ? 18.912 1.551 8.684 1.00 0.00 ? 33 LYS A HD3 30 ATOM 41706 H HE2 . LYS A 1 33 ? 17.241 2.281 10.208 1.00 0.00 ? 33 LYS A HE2 30 ATOM 41707 H HE3 . LYS A 1 33 ? 15.947 1.885 9.077 1.00 0.00 ? 33 LYS A HE3 30 ATOM 41708 H HZ1 . LYS A 1 33 ? 17.737 -0.263 9.951 1.00 0.00 ? 33 LYS A HZ1 30 ATOM 41709 H HZ2 . LYS A 1 33 ? 16.563 0.288 11.035 1.00 0.00 ? 33 LYS A HZ2 30 ATOM 41710 H HZ3 . LYS A 1 33 ? 16.101 -0.329 9.530 1.00 0.00 ? 33 LYS A HZ3 30 ATOM 41711 N N . LEU A 1 34 ? 17.658 2.642 3.596 1.00 0.00 ? 34 LEU A N 30 ATOM 41712 C CA . LEU A 1 34 ? 18.708 2.184 2.695 1.00 0.00 ? 34 LEU A CA 30 ATOM 41713 C C . LEU A 1 34 ? 19.127 3.300 1.745 1.00 0.00 ? 34 LEU A C 30 ATOM 41714 O O . LEU A 1 34 ? 20.317 3.515 1.510 1.00 0.00 ? 34 LEU A O 30 ATOM 41715 C CB . LEU A 1 34 ? 18.228 0.970 1.895 1.00 0.00 ? 34 LEU A CB 30 ATOM 41716 C CG . LEU A 1 34 ? 19.325 -0.014 1.477 1.00 0.00 ? 34 LEU A CG 30 ATOM 41717 C CD1 . LEU A 1 34 ? 20.553 0.728 0.974 1.00 0.00 ? 34 LEU A CD1 30 ATOM 41718 C CD2 . LEU A 1 34 ? 19.689 -0.929 2.636 1.00 0.00 ? 34 LEU A CD2 30 ATOM 41719 H H . LEU A 1 34 ? 16.748 2.299 3.481 1.00 0.00 ? 34 LEU A H 30 ATOM 41720 H HA . LEU A 1 34 ? 19.558 1.897 3.294 1.00 0.00 ? 34 LEU A HA 30 ATOM 41721 H HB2 . LEU A 1 34 ? 17.504 0.436 2.493 1.00 0.00 ? 34 LEU A HB2 30 ATOM 41722 H HB3 . LEU A 1 34 ? 17.737 1.326 1.001 1.00 0.00 ? 34 LEU A HB3 30 ATOM 41723 H HG . LEU A 1 34 ? 18.956 -0.630 0.669 1.00 0.00 ? 34 LEU A HG 30 ATOM 41724 H HD11 . LEU A 1 34 ? 20.245 1.595 0.409 1.00 0.00 ? 34 LEU A HD11 30 ATOM 41725 H HD12 . LEU A 1 34 ? 21.154 1.042 1.816 1.00 0.00 ? 34 LEU A HD12 30 ATOM 41726 H HD13 . LEU A 1 34 ? 21.135 0.074 0.342 1.00 0.00 ? 34 LEU A HD13 30 ATOM 41727 H HD21 . LEU A 1 34 ? 19.054 -0.709 3.481 1.00 0.00 ? 34 LEU A HD21 30 ATOM 41728 H HD22 . LEU A 1 34 ? 19.550 -1.958 2.339 1.00 0.00 ? 34 LEU A HD22 30 ATOM 41729 H HD23 . LEU A 1 34 ? 20.722 -0.768 2.910 1.00 0.00 ? 34 LEU A HD23 30 ATOM 41730 N N . LYS A 1 35 ? 18.142 4.009 1.203 1.00 0.00 ? 35 LYS A N 30 ATOM 41731 C CA . LYS A 1 35 ? 18.410 5.106 0.280 1.00 0.00 ? 35 LYS A CA 30 ATOM 41732 C C . LYS A 1 35 ? 18.984 6.308 1.022 1.00 0.00 ? 35 LYS A C 30 ATOM 41733 O O . LYS A 1 35 ? 19.710 7.117 0.446 1.00 0.00 ? 35 LYS A O 30 ATOM 41734 C CB . LYS A 1 35 ? 17.129 5.508 -0.454 1.00 0.00 ? 35 LYS A CB 30 ATOM 41735 C CG . LYS A 1 35 ? 17.305 6.707 -1.372 1.00 0.00 ? 35 LYS A CG 30 ATOM 41736 C CD . LYS A 1 35 ? 15.978 7.391 -1.656 1.00 0.00 ? 35 LYS A CD 30 ATOM 41737 C CE . LYS A 1 35 ? 15.151 6.605 -2.660 1.00 0.00 ? 35 LYS A CE 30 ATOM 41738 N NZ . LYS A 1 35 ? 13.706 6.962 -2.591 1.00 0.00 ? 35 LYS A NZ 30 ATOM 41739 H H . LYS A 1 35 ? 17.213 3.791 1.430 1.00 0.00 ? 35 LYS A H 30 ATOM 41740 H HA . LYS A 1 35 ? 19.136 4.763 -0.441 1.00 0.00 ? 35 LYS A HA 30 ATOM 41741 H HB2 . LYS A 1 35 ? 16.792 4.673 -1.049 1.00 0.00 ? 35 LYS A HB2 30 ATOM 41742 H HB3 . LYS A 1 35 ? 16.370 5.749 0.276 1.00 0.00 ? 35 LYS A HB3 30 ATOM 41743 H HG2 . LYS A 1 35 ? 17.969 7.415 -0.900 1.00 0.00 ? 35 LYS A HG2 30 ATOM 41744 H HG3 . LYS A 1 35 ? 17.735 6.374 -2.304 1.00 0.00 ? 35 LYS A HG3 30 ATOM 41745 H HD2 . LYS A 1 35 ? 15.422 7.473 -0.734 1.00 0.00 ? 35 LYS A HD2 30 ATOM 41746 H HD3 . LYS A 1 35 ? 16.170 8.377 -2.053 1.00 0.00 ? 35 LYS A HD3 30 ATOM 41747 H HE2 . LYS A 1 35 ? 15.517 6.819 -3.654 1.00 0.00 ? 35 LYS A HE2 30 ATOM 41748 H HE3 . LYS A 1 35 ? 15.263 5.552 -2.455 1.00 0.00 ? 35 LYS A HE3 30 ATOM 41749 H HZ1 . LYS A 1 35 ? 13.362 6.870 -1.615 1.00 0.00 ? 35 LYS A HZ1 30 ATOM 41750 H HZ2 . LYS A 1 35 ? 13.566 7.944 -2.906 1.00 0.00 ? 35 LYS A HZ2 30 ATOM 41751 H HZ3 . LYS A 1 35 ? 13.152 6.330 -3.203 1.00 0.00 ? 35 LYS A HZ3 30 ATOM 41752 N N . GLN A 1 36 ? 18.655 6.414 2.306 1.00 0.00 ? 36 GLN A N 30 ATOM 41753 C CA . GLN A 1 36 ? 19.140 7.515 3.129 1.00 0.00 ? 36 GLN A CA 30 ATOM 41754 C C . GLN A 1 36 ? 20.596 7.295 3.522 1.00 0.00 ? 36 GLN A C 30 ATOM 41755 O O . GLN A 1 36 ? 21.343 8.250 3.736 1.00 0.00 ? 36 GLN A O 30 ATOM 41756 C CB . GLN A 1 36 ? 18.277 7.660 4.384 1.00 0.00 ? 36 GLN A CB 30 ATOM 41757 C CG . GLN A 1 36 ? 18.360 9.036 5.024 1.00 0.00 ? 36 GLN A CG 30 ATOM 41758 C CD . GLN A 1 36 ? 17.705 9.084 6.391 1.00 0.00 ? 36 GLN A CD 30 ATOM 41759 O OE1 . GLN A 1 36 ? 17.283 8.058 6.926 1.00 0.00 ? 36 GLN A OE1 30 ATOM 41760 N NE2 . GLN A 1 36 ? 17.616 10.278 6.963 1.00 0.00 ? 36 GLN A NE2 30 ATOM 41761 H H . GLN A 1 36 ? 18.074 5.736 2.708 1.00 0.00 ? 36 GLN A H 30 ATOM 41762 H HA . GLN A 1 36 ? 19.069 8.421 2.548 1.00 0.00 ? 36 GLN A HA 30 ATOM 41763 H HB2 . GLN A 1 36 ? 17.246 7.470 4.122 1.00 0.00 ? 36 GLN A HB2 30 ATOM 41764 H HB3 . GLN A 1 36 ? 18.594 6.928 5.112 1.00 0.00 ? 36 GLN A HB3 30 ATOM 41765 H HG2 . GLN A 1 36 ? 19.399 9.307 5.131 1.00 0.00 ? 36 GLN A HG2 30 ATOM 41766 H HG3 . GLN A 1 36 ? 17.866 9.749 4.379 1.00 0.00 ? 36 GLN A HG3 30 ATOM 41767 H HE21 . GLN A 1 36 ? 17.974 11.051 6.479 1.00 0.00 ? 36 GLN A HE21 30 ATOM 41768 H HE22 . GLN A 1 36 ? 17.197 10.338 7.847 1.00 0.00 ? 36 GLN A HE22 30 ATOM 41769 N N . SER A 1 37 ? 20.994 6.031 3.614 1.00 0.00 ? 37 SER A N 30 ATOM 41770 C CA . SER A 1 37 ? 22.363 5.685 3.979 1.00 0.00 ? 37 SER A CA 30 ATOM 41771 C C . SER A 1 37 ? 23.327 6.013 2.843 1.00 0.00 ? 37 SER A C 30 ATOM 41772 O O . SER A 1 37 ? 24.512 6.257 3.073 1.00 0.00 ? 37 SER A O 30 ATOM 41773 C CB . SER A 1 37 ? 22.459 4.200 4.332 1.00 0.00 ? 37 SER A CB 30 ATOM 41774 O OG . SER A 1 37 ? 22.888 4.020 5.671 1.00 0.00 ? 37 SER A OG 30 ATOM 41775 H H . SER A 1 37 ? 20.353 5.313 3.430 1.00 0.00 ? 37 SER A H 30 ATOM 41776 H HA . SER A 1 37 ? 22.633 6.270 4.845 1.00 0.00 ? 37 SER A HA 30 ATOM 41777 H HB2 . SER A 1 37 ? 21.490 3.740 4.214 1.00 0.00 ? 37 SER A HB2 30 ATOM 41778 H HB3 . SER A 1 37 ? 23.167 3.720 3.672 1.00 0.00 ? 37 SER A HB3 30 ATOM 41779 H HG . SER A 1 37 ? 23.834 3.853 5.685 1.00 0.00 ? 37 SER A HG 30 ATOM 41780 N N . GLU A 1 38 ? 22.810 6.018 1.619 1.00 0.00 ? 38 GLU A N 30 ATOM 41781 C CA . GLU A 1 38 ? 23.625 6.317 0.447 1.00 0.00 ? 38 GLU A CA 30 ATOM 41782 C C . GLU A 1 38 ? 23.889 7.814 0.336 1.00 0.00 ? 38 GLU A C 30 ATOM 41783 O O . GLU A 1 38 ? 24.888 8.237 -0.245 1.00 0.00 ? 38 GLU A O 30 ATOM 41784 C CB . GLU A 1 38 ? 22.936 5.812 -0.821 1.00 0.00 ? 38 GLU A CB 30 ATOM 41785 C CG . GLU A 1 38 ? 23.645 6.218 -2.102 1.00 0.00 ? 38 GLU A CG 30 ATOM 41786 C CD . GLU A 1 38 ? 22.895 7.288 -2.872 1.00 0.00 ? 38 GLU A CD 30 ATOM 41787 O OE1 . GLU A 1 38 ? 22.914 8.457 -2.435 1.00 0.00 ? 38 GLU A OE1 30 ATOM 41788 O OE2 . GLU A 1 38 ? 22.287 6.954 -3.911 1.00 0.00 ? 38 GLU A OE2 30 ATOM 41789 H H . GLU A 1 38 ? 21.859 5.815 1.501 1.00 0.00 ? 38 GLU A H 30 ATOM 41790 H HA . GLU A 1 38 ? 24.569 5.804 0.560 1.00 0.00 ? 38 GLU A HA 30 ATOM 41791 H HB2 . GLU A 1 38 ? 22.889 4.734 -0.788 1.00 0.00 ? 38 GLU A HB2 30 ATOM 41792 H HB3 . GLU A 1 38 ? 21.931 6.207 -0.852 1.00 0.00 ? 38 GLU A HB3 30 ATOM 41793 H HG2 . GLU A 1 38 ? 24.625 6.598 -1.851 1.00 0.00 ? 38 GLU A HG2 30 ATOM 41794 H HG3 . GLU A 1 38 ? 23.749 5.347 -2.732 1.00 0.00 ? 38 GLU A HG3 30 ATOM 41795 N N . ASP A 1 39 ? 22.986 8.613 0.897 1.00 0.00 ? 39 ASP A N 30 ATOM 41796 C CA . ASP A 1 39 ? 23.122 10.064 0.861 1.00 0.00 ? 39 ASP A CA 30 ATOM 41797 C C . ASP A 1 39 ? 23.086 10.649 2.269 1.00 0.00 ? 39 ASP A C 30 ATOM 41798 O O . ASP A 1 39 ? 22.698 11.801 2.463 1.00 0.00 ? 39 ASP A O 30 ATOM 41799 C CB . ASP A 1 39 ? 22.008 10.680 0.012 1.00 0.00 ? 39 ASP A CB 30 ATOM 41800 C CG . ASP A 1 39 ? 22.547 11.535 -1.117 1.00 0.00 ? 39 ASP A CG 30 ATOM 41801 O OD1 . ASP A 1 39 ? 23.584 11.159 -1.703 1.00 0.00 ? 39 ASP A OD1 30 ATOM 41802 O OD2 . ASP A 1 39 ? 21.933 12.581 -1.416 1.00 0.00 ? 39 ASP A OD2 30 ATOM 41803 H H . ASP A 1 39 ? 22.211 8.216 1.345 1.00 0.00 ? 39 ASP A H 30 ATOM 41804 H HA . ASP A 1 39 ? 24.075 10.297 0.411 1.00 0.00 ? 39 ASP A HA 30 ATOM 41805 H HB2 . ASP A 1 39 ? 21.409 9.889 -0.415 1.00 0.00 ? 39 ASP A HB2 30 ATOM 41806 H HB3 . ASP A 1 39 ? 21.384 11.297 0.641 1.00 0.00 ? 39 ASP A HB3 30 ATOM 41807 N N . ASP A 1 40 ? 23.493 9.848 3.248 1.00 0.00 ? 40 ASP A N 30 ATOM 41808 C CA . ASP A 1 40 ? 23.508 10.286 4.638 1.00 0.00 ? 40 ASP A CA 30 ATOM 41809 C C . ASP A 1 40 ? 22.096 10.592 5.127 1.00 0.00 ? 40 ASP A C 30 ATOM 41810 O O . ASP A 1 40 ? 21.144 10.595 4.346 1.00 0.00 ? 40 ASP A O 30 ATOM 41811 C CB . ASP A 1 40 ? 24.393 11.524 4.796 1.00 0.00 ? 40 ASP A CB 30 ATOM 41812 C CG . ASP A 1 40 ? 25.655 11.441 3.959 1.00 0.00 ? 40 ASP A CG 30 ATOM 41813 O OD1 . ASP A 1 40 ? 26.445 10.495 4.167 1.00 0.00 ? 40 ASP A OD1 30 ATOM 41814 O OD2 . ASP A 1 40 ? 25.856 12.322 3.097 1.00 0.00 ? 40 ASP A OD2 30 ATOM 41815 H H . ASP A 1 40 ? 23.791 8.940 3.030 1.00 0.00 ? 40 ASP A H 30 ATOM 41816 H HA . ASP A 1 40 ? 23.916 9.484 5.234 1.00 0.00 ? 40 ASP A HA 30 ATOM 41817 H HB2 . ASP A 1 40 ? 23.839 12.398 4.489 1.00 0.00 ? 40 ASP A HB2 30 ATOM 41818 H HB3 . ASP A 1 40 ? 24.677 11.626 5.832 1.00 0.00 ? 40 ASP A HB3 30 ATOM 41819 N N . ASP A 1 41 ? 21.968 10.850 6.424 1.00 0.00 ? 41 ASP A N 30 ATOM 41820 C CA . ASP A 1 41 ? 20.672 11.158 7.019 1.00 0.00 ? 41 ASP A CA 30 ATOM 41821 C C . ASP A 1 41 ? 20.263 12.596 6.718 1.00 0.00 ? 41 ASP A C 30 ATOM 41822 O O . ASP A 1 41 ? 21.039 13.301 6.038 1.00 0.00 ? 41 ASP A O 30 ATOM 41823 C CB . ASP A 1 41 ? 20.714 10.932 8.531 1.00 0.00 ? 41 ASP A CB 30 ATOM 41824 C CG . ASP A 1 41 ? 21.592 11.943 9.242 1.00 0.00 ? 41 ASP A CG 30 ATOM 41825 O OD1 . ASP A 1 41 ? 22.408 12.602 8.564 1.00 0.00 ? 41 ASP A OD1 30 ATOM 41826 O OD2 . ASP A 1 41 ? 21.463 12.076 10.477 1.00 0.00 ? 41 ASP A OD2 30 ATOM 41827 O OXT . ASP A 1 41 ? 19.172 13.006 7.167 1.00 0.00 ? 41 ASP A OXT 30 ATOM 41828 H H . ASP A 1 41 ? 22.764 10.834 6.997 1.00 0.00 ? 41 ASP A H 30 ATOM 41829 H HA . ASP A 1 41 ? 19.943 10.492 6.584 1.00 0.00 ? 41 ASP A HA 30 ATOM 41830 H HB2 . ASP A 1 41 ? 19.713 11.011 8.928 1.00 0.00 ? 41 ASP A HB2 30 ATOM 41831 H HB3 . ASP A 1 41 ? 21.100 9.943 8.730 1.00 0.00 ? 41 ASP A HB3 30 ATOM 41832 N N . ALA B 1 1 ? 25.654 9.409 -7.244 1.00 0.00 ? 1 ALA B N 30 ATOM 41833 C CA . ALA B 1 1 ? 25.730 8.121 -6.506 1.00 0.00 ? 1 ALA B CA 30 ATOM 41834 C C . ALA B 1 1 ? 27.109 7.926 -5.886 1.00 0.00 ? 1 ALA B C 30 ATOM 41835 O O . ALA B 1 1 ? 28.040 8.679 -6.169 1.00 0.00 ? 1 ALA B O 30 ATOM 41836 C CB . ALA B 1 1 ? 25.397 6.962 -7.433 1.00 0.00 ? 1 ALA B CB 30 ATOM 41837 H H1 . ALA B 1 1 ? 26.574 9.561 -7.708 1.00 0.00 ? 1 ALA B H1 30 ATOM 41838 H H2 . ALA B 1 1 ? 24.889 9.329 -7.943 1.00 0.00 ? 1 ALA B H2 30 ATOM 41839 H H3 . ALA B 1 1 ? 25.454 10.160 -6.553 1.00 0.00 ? 1 ALA B H3 30 ATOM 41840 H HA . ALA B 1 1 ? 24.993 8.140 -5.715 1.00 0.00 ? 1 ALA B HA 30 ATOM 41841 H HB1 . ALA B 1 1 ? 25.552 7.266 -8.458 1.00 0.00 ? 1 ALA B HB1 30 ATOM 41842 H HB2 . ALA B 1 1 ? 24.366 6.674 -7.294 1.00 0.00 ? 1 ALA B HB2 30 ATOM 41843 H HB3 . ALA B 1 1 ? 26.039 6.124 -7.205 1.00 0.00 ? 1 ALA B HB3 30 ATOM 41844 N N . LEU B 1 2 ? 27.232 6.908 -5.040 1.00 0.00 ? 2 LEU B N 30 ATOM 41845 C CA . LEU B 1 2 ? 28.499 6.612 -4.381 1.00 0.00 ? 2 LEU B CA 30 ATOM 41846 C C . LEU B 1 2 ? 28.683 5.109 -4.205 1.00 0.00 ? 2 LEU B C 30 ATOM 41847 O O . LEU B 1 2 ? 29.730 4.557 -4.545 1.00 0.00 ? 2 LEU B O 30 ATOM 41848 C CB . LEU B 1 2 ? 28.565 7.309 -3.020 1.00 0.00 ? 2 LEU B CB 30 ATOM 41849 C CG . LEU B 1 2 ? 28.175 8.788 -3.030 1.00 0.00 ? 2 LEU B CG 30 ATOM 41850 C CD1 . LEU B 1 2 ? 26.737 8.964 -2.568 1.00 0.00 ? 2 LEU B CD1 30 ATOM 41851 C CD2 . LEU B 1 2 ? 29.121 9.592 -2.152 1.00 0.00 ? 2 LEU B CD2 30 ATOM 41852 H H . LEU B 1 2 ? 26.454 6.342 -4.855 1.00 0.00 ? 2 LEU B H 30 ATOM 41853 H HA . LEU B 1 2 ? 29.295 6.990 -5.006 1.00 0.00 ? 2 LEU B HA 30 ATOM 41854 H HB2 . LEU B 1 2 ? 27.904 6.788 -2.341 1.00 0.00 ? 2 LEU B HB2 30 ATOM 41855 H HB3 . LEU B 1 2 ? 29.573 7.228 -2.646 1.00 0.00 ? 2 LEU B HB3 30 ATOM 41856 H HG . LEU B 1 2 ? 28.250 9.166 -4.039 1.00 0.00 ? 2 LEU B HG 30 ATOM 41857 H HD11 . LEU B 1 2 ? 26.229 8.011 -2.603 1.00 0.00 ? 2 LEU B HD11 30 ATOM 41858 H HD12 . LEU B 1 2 ? 26.727 9.340 -1.556 1.00 0.00 ? 2 LEU B HD12 30 ATOM 41859 H HD13 . LEU B 1 2 ? 26.233 9.665 -3.218 1.00 0.00 ? 2 LEU B HD13 30 ATOM 41860 H HD21 . LEU B 1 2 ? 30.142 9.343 -2.400 1.00 0.00 ? 2 LEU B HD21 30 ATOM 41861 H HD22 . LEU B 1 2 ? 28.957 10.647 -2.318 1.00 0.00 ? 2 LEU B HD22 30 ATOM 41862 H HD23 . LEU B 1 2 ? 28.936 9.359 -1.114 1.00 0.00 ? 2 LEU B HD23 30 ATOM 41863 N N . LYS B 1 3 ? 27.659 4.450 -3.672 1.00 0.00 ? 3 LYS B N 30 ATOM 41864 C CA . LYS B 1 3 ? 27.707 3.010 -3.451 1.00 0.00 ? 3 LYS B CA 30 ATOM 41865 C C . LYS B 1 3 ? 26.918 2.268 -4.525 1.00 0.00 ? 3 LYS B C 30 ATOM 41866 O O . LYS B 1 3 ? 26.219 2.882 -5.331 1.00 0.00 ? 3 LYS B O 30 ATOM 41867 C CB . LYS B 1 3 ? 27.154 2.667 -2.067 1.00 0.00 ? 3 LYS B CB 30 ATOM 41868 C CG . LYS B 1 3 ? 28.028 3.155 -0.924 1.00 0.00 ? 3 LYS B CG 30 ATOM 41869 C CD . LYS B 1 3 ? 27.435 4.385 -0.256 1.00 0.00 ? 3 LYS B CD 30 ATOM 41870 C CE . LYS B 1 3 ? 28.128 4.692 1.062 1.00 0.00 ? 3 LYS B CE 30 ATOM 41871 N NZ . LYS B 1 3 ? 27.446 5.786 1.807 1.00 0.00 ? 3 LYS B NZ 30 ATOM 41872 H H . LYS B 1 3 ? 26.851 4.945 -3.421 1.00 0.00 ? 3 LYS B H 30 ATOM 41873 H HA . LYS B 1 3 ? 28.741 2.702 -3.503 1.00 0.00 ? 3 LYS B HA 30 ATOM 41874 H HB2 . LYS B 1 3 ? 26.177 3.114 -1.961 1.00 0.00 ? 3 LYS B HB2 30 ATOM 41875 H HB3 . LYS B 1 3 ? 27.059 1.593 -1.985 1.00 0.00 ? 3 LYS B HB3 30 ATOM 41876 H HG2 . LYS B 1 3 ? 28.118 2.369 -0.191 1.00 0.00 ? 3 LYS B HG2 30 ATOM 41877 H HG3 . LYS B 1 3 ? 29.006 3.402 -1.312 1.00 0.00 ? 3 LYS B HG3 30 ATOM 41878 H HD2 . LYS B 1 3 ? 27.550 5.232 -0.916 1.00 0.00 ? 3 LYS B HD2 30 ATOM 41879 H HD3 . LYS B 1 3 ? 26.386 4.212 -0.069 1.00 0.00 ? 3 LYS B HD3 30 ATOM 41880 H HE2 . LYS B 1 3 ? 28.128 3.799 1.671 1.00 0.00 ? 3 LYS B HE2 30 ATOM 41881 H HE3 . LYS B 1 3 ? 29.147 4.987 0.858 1.00 0.00 ? 3 LYS B HE3 30 ATOM 41882 H HZ1 . LYS B 1 3 ? 26.590 6.084 1.299 1.00 0.00 ? 3 LYS B HZ1 30 ATOM 41883 H HZ2 . LYS B 1 3 ? 27.176 5.457 2.756 1.00 0.00 ? 3 LYS B HZ2 30 ATOM 41884 H HZ3 . LYS B 1 3 ? 28.081 6.603 1.904 1.00 0.00 ? 3 LYS B HZ3 30 ATOM 41885 N N . LYS B 1 4 ? 27.036 0.944 -4.531 1.00 0.00 ? 4 LYS B N 30 ATOM 41886 C CA . LYS B 1 4 ? 26.333 0.119 -5.507 1.00 0.00 ? 4 LYS B CA 30 ATOM 41887 C C . LYS B 1 4 ? 25.438 -0.901 -4.813 1.00 0.00 ? 4 LYS B C 30 ATOM 41888 O O . LYS B 1 4 ? 24.251 -1.010 -5.121 1.00 0.00 ? 4 LYS B O 30 ATOM 41889 C CB . LYS B 1 4 ? 27.334 -0.598 -6.416 1.00 0.00 ? 4 LYS B CB 30 ATOM 41890 C CG . LYS B 1 4 ? 28.607 -1.024 -5.703 1.00 0.00 ? 4 LYS B CG 30 ATOM 41891 C CD . LYS B 1 4 ? 29.705 -1.382 -6.692 1.00 0.00 ? 4 LYS B CD 30 ATOM 41892 C CE . LYS B 1 4 ? 30.213 -0.154 -7.429 1.00 0.00 ? 4 LYS B CE 30 ATOM 41893 N NZ . LYS B 1 4 ? 31.553 0.274 -6.940 1.00 0.00 ? 4 LYS B NZ 30 ATOM 41894 H H . LYS B 1 4 ? 27.609 0.512 -3.864 1.00 0.00 ? 4 LYS B H 30 ATOM 41895 H HA . LYS B 1 4 ? 25.717 0.771 -6.108 1.00 0.00 ? 4 LYS B HA 30 ATOM 41896 H HB2 . LYS B 1 4 ? 26.863 -1.479 -6.825 1.00 0.00 ? 4 LYS B HB2 30 ATOM 41897 H HB3 . LYS B 1 4 ? 27.604 0.063 -7.226 1.00 0.00 ? 4 LYS B HB3 30 ATOM 41898 H HG2 . LYS B 1 4 ? 28.949 -0.211 -5.081 1.00 0.00 ? 4 LYS B HG2 30 ATOM 41899 H HG3 . LYS B 1 4 ? 28.393 -1.886 -5.088 1.00 0.00 ? 4 LYS B HG3 30 ATOM 41900 H HD2 . LYS B 1 4 ? 30.527 -1.833 -6.154 1.00 0.00 ? 4 LYS B HD2 30 ATOM 41901 H HD3 . LYS B 1 4 ? 29.313 -2.087 -7.411 1.00 0.00 ? 4 LYS B HD3 30 ATOM 41902 H HE2 . LYS B 1 4 ? 30.282 -0.385 -8.482 1.00 0.00 ? 4 LYS B HE2 30 ATOM 41903 H HE3 . LYS B 1 4 ? 29.510 0.653 -7.284 1.00 0.00 ? 4 LYS B HE3 30 ATOM 41904 H HZ1 . LYS B 1 4 ? 32.241 -0.494 -7.066 1.00 0.00 ? 4 LYS B HZ1 30 ATOM 41905 H HZ2 . LYS B 1 4 ? 31.877 1.107 -7.470 1.00 0.00 ? 4 LYS B HZ2 30 ATOM 41906 H HZ3 . LYS B 1 4 ? 31.503 0.516 -5.930 1.00 0.00 ? 4 LYS B HZ3 30 ATOM 41907 N N . HIS B 1 5 ? 26.012 -1.646 -3.874 1.00 0.00 ? 5 HIS B N 30 ATOM 41908 C CA . HIS B 1 5 ? 25.262 -2.657 -3.135 1.00 0.00 ? 5 HIS B CA 30 ATOM 41909 C C . HIS B 1 5 ? 23.968 -2.072 -2.579 1.00 0.00 ? 5 HIS B C 30 ATOM 41910 O O . HIS B 1 5 ? 22.952 -2.764 -2.476 1.00 0.00 ? 5 HIS B O 30 ATOM 41911 C CB . HIS B 1 5 ? 26.112 -3.223 -1.997 1.00 0.00 ? 5 HIS B CB 30 ATOM 41912 C CG . HIS B 1 5 ? 26.557 -2.191 -1.007 1.00 0.00 ? 5 HIS B CG 30 ATOM 41913 N ND1 . HIS B 1 5 ? 26.692 -2.447 0.341 1.00 0.00 ? 5 HIS B ND1 30 ATOM 41914 C CD2 . HIS B 1 5 ? 26.899 -0.891 -1.177 1.00 0.00 ? 5 HIS B CD2 30 ATOM 41915 C CE1 . HIS B 1 5 ? 27.096 -1.352 0.957 1.00 0.00 ? 5 HIS B CE1 30 ATOM 41916 N NE2 . HIS B 1 5 ? 27.231 -0.394 0.059 1.00 0.00 ? 5 HIS B NE2 30 ATOM 41917 H H . HIS B 1 5 ? 26.962 -1.513 -3.671 1.00 0.00 ? 5 HIS B H 30 ATOM 41918 H HA . HIS B 1 5 ? 25.017 -3.454 -3.820 1.00 0.00 ? 5 HIS B HA 30 ATOM 41919 H HB2 . HIS B 1 5 ? 25.538 -3.967 -1.464 1.00 0.00 ? 5 HIS B HB2 30 ATOM 41920 H HB3 . HIS B 1 5 ? 26.994 -3.688 -2.412 1.00 0.00 ? 5 HIS B HB3 30 ATOM 41921 H HD1 . HIS B 1 5 ? 26.516 -3.306 0.780 1.00 0.00 ? 5 HIS B HD1 30 ATOM 41922 H HD2 . HIS B 1 5 ? 26.910 -0.346 -2.110 1.00 0.00 ? 5 HIS B HD2 30 ATOM 41923 H HE1 . HIS B 1 5 ? 27.287 -1.256 2.016 1.00 0.00 ? 5 HIS B HE1 30 ATOM 41924 H HE2 . HIS B 1 5 ? 27.521 0.523 0.247 1.00 0.00 ? 5 HIS B HE2 30 ATOM 41925 N N . HIS B 1 6 ? 24.008 -0.790 -2.225 1.00 0.00 ? 6 HIS B N 30 ATOM 41926 C CA . HIS B 1 6 ? 22.837 -0.115 -1.686 1.00 0.00 ? 6 HIS B CA 30 ATOM 41927 C C . HIS B 1 6 ? 21.718 -0.090 -2.717 1.00 0.00 ? 6 HIS B C 30 ATOM 41928 O O . HIS B 1 6 ? 20.626 -0.585 -2.462 1.00 0.00 ? 6 HIS B O 30 ATOM 41929 C CB . HIS B 1 6 ? 23.190 1.310 -1.254 1.00 0.00 ? 6 HIS B CB 30 ATOM 41930 C CG . HIS B 1 6 ? 23.961 1.371 0.028 1.00 0.00 ? 6 HIS B CG 30 ATOM 41931 N ND1 . HIS B 1 6 ? 24.462 0.253 0.661 1.00 0.00 ? 6 HIS B ND1 30 ATOM 41932 C CD2 . HIS B 1 6 ? 24.318 2.428 0.798 1.00 0.00 ? 6 HIS B CD2 30 ATOM 41933 C CE1 . HIS B 1 6 ? 25.091 0.618 1.764 1.00 0.00 ? 6 HIS B CE1 30 ATOM 41934 N NE2 . HIS B 1 6 ? 25.018 1.932 1.868 1.00 0.00 ? 6 HIS B NE2 30 ATOM 41935 H H . HIS B 1 6 ? 24.842 -0.289 -2.335 1.00 0.00 ? 6 HIS B H 30 ATOM 41936 H HA . HIS B 1 6 ? 22.500 -0.675 -0.826 1.00 0.00 ? 6 HIS B HA 30 ATOM 41937 H HB2 . HIS B 1 6 ? 23.788 1.774 -2.023 1.00 0.00 ? 6 HIS B HB2 30 ATOM 41938 H HB3 . HIS B 1 6 ? 22.278 1.874 -1.122 1.00 0.00 ? 6 HIS B HB3 30 ATOM 41939 H HD1 . HIS B 1 6 ? 24.368 -0.671 0.348 1.00 0.00 ? 6 HIS B HD1 30 ATOM 41940 H HD2 . HIS B 1 6 ? 24.092 3.467 0.604 1.00 0.00 ? 6 HIS B HD2 30 ATOM 41941 H HE1 . HIS B 1 6 ? 25.583 -0.045 2.460 1.00 0.00 ? 6 HIS B HE1 30 ATOM 41942 H HE2 . HIS B 1 6 ? 25.404 2.465 2.596 1.00 0.00 ? 6 HIS B HE2 30 ATOM 41943 N N . GLU B 1 7 ? 22.003 0.479 -3.884 1.00 0.00 ? 7 GLU B N 30 ATOM 41944 C CA . GLU B 1 7 ? 21.023 0.553 -4.958 1.00 0.00 ? 7 GLU B CA 30 ATOM 41945 C C . GLU B 1 7 ? 20.409 -0.818 -5.225 1.00 0.00 ? 7 GLU B C 30 ATOM 41946 O O . GLU B 1 7 ? 19.291 -0.920 -5.731 1.00 0.00 ? 7 GLU B O 30 ATOM 41947 C CB . GLU B 1 7 ? 21.673 1.092 -6.234 1.00 0.00 ? 7 GLU B CB 30 ATOM 41948 C CG . GLU B 1 7 ? 21.446 2.578 -6.454 1.00 0.00 ? 7 GLU B CG 30 ATOM 41949 C CD . GLU B 1 7 ? 21.783 3.016 -7.865 1.00 0.00 ? 7 GLU B CD 30 ATOM 41950 O OE1 . GLU B 1 7 ? 22.771 2.501 -8.427 1.00 0.00 ? 7 GLU B OE1 30 ATOM 41951 O OE2 . GLU B 1 7 ? 21.057 3.877 -8.409 1.00 0.00 ? 7 GLU B OE2 30 ATOM 41952 H H . GLU B 1 7 ? 22.893 0.852 -4.027 1.00 0.00 ? 7 GLU B H 30 ATOM 41953 H HA . GLU B 1 7 ? 20.242 1.232 -4.649 1.00 0.00 ? 7 GLU B HA 30 ATOM 41954 H HB2 . GLU B 1 7 ? 22.738 0.916 -6.183 1.00 0.00 ? 7 GLU B HB2 30 ATOM 41955 H HB3 . GLU B 1 7 ? 21.271 0.558 -7.082 1.00 0.00 ? 7 GLU B HB3 30 ATOM 41956 H HG2 . GLU B 1 7 ? 20.407 2.802 -6.263 1.00 0.00 ? 7 GLU B HG2 30 ATOM 41957 H HG3 . GLU B 1 7 ? 22.065 3.130 -5.762 1.00 0.00 ? 7 GLU B HG3 30 ATOM 41958 N N . ASN B 1 8 ? 21.147 -1.873 -4.881 1.00 0.00 ? 8 ASN B N 30 ATOM 41959 C CA . ASN B 1 8 ? 20.672 -3.238 -5.080 1.00 0.00 ? 8 ASN B CA 30 ATOM 41960 C C . ASN B 1 8 ? 19.503 -3.540 -4.148 1.00 0.00 ? 8 ASN B C 30 ATOM 41961 O O . ASN B 1 8 ? 18.394 -3.828 -4.600 1.00 0.00 ? 8 ASN B O 30 ATOM 41962 C CB . ASN B 1 8 ? 21.805 -4.237 -4.838 1.00 0.00 ? 8 ASN B CB 30 ATOM 41963 C CG . ASN B 1 8 ? 23.066 -3.875 -5.598 1.00 0.00 ? 8 ASN B CG 30 ATOM 41964 O OD1 . ASN B 1 8 ? 23.125 -2.847 -6.273 1.00 0.00 ? 8 ASN B OD1 30 ATOM 41965 N ND2 . ASN B 1 8 ? 24.084 -4.722 -5.493 1.00 0.00 ? 8 ASN B ND2 30 ATOM 41966 H H . ASN B 1 8 ? 22.030 -1.729 -4.482 1.00 0.00 ? 8 ASN B H 30 ATOM 41967 H HA . ASN B 1 8 ? 20.334 -3.327 -6.100 1.00 0.00 ? 8 ASN B HA 30 ATOM 41968 H HB2 . ASN B 1 8 ? 22.037 -4.263 -3.785 1.00 0.00 ? 8 ASN B HB2 30 ATOM 41969 H HB3 . ASN B 1 8 ? 21.485 -5.219 -5.156 1.00 0.00 ? 8 ASN B HB3 30 ATOM 41970 H HD21 . ASN B 1 8 ? 23.966 -5.521 -4.939 1.00 0.00 ? 8 ASN B HD21 30 ATOM 41971 H HD22 . ASN B 1 8 ? 24.912 -4.512 -5.974 1.00 0.00 ? 8 ASN B HD22 30 ATOM 41972 N N . GLU B 1 9 ? 19.751 -3.450 -2.843 1.00 0.00 ? 9 GLU B N 30 ATOM 41973 C CA . GLU B 1 9 ? 18.703 -3.695 -1.855 1.00 0.00 ? 9 GLU B CA 30 ATOM 41974 C C . GLU B 1 9 ? 17.656 -2.579 -1.886 1.00 0.00 ? 9 GLU B C 30 ATOM 41975 O O . GLU B 1 9 ? 16.599 -2.688 -1.262 1.00 0.00 ? 9 GLU B O 30 ATOM 41976 C CB . GLU B 1 9 ? 19.310 -3.804 -0.455 1.00 0.00 ? 9 GLU B CB 30 ATOM 41977 C CG . GLU B 1 9 ? 20.563 -4.663 -0.400 1.00 0.00 ? 9 GLU B CG 30 ATOM 41978 C CD . GLU B 1 9 ? 21.820 -3.845 -0.179 1.00 0.00 ? 9 GLU B CD 30 ATOM 41979 O OE1 . GLU B 1 9 ? 21.712 -2.723 0.360 1.00 0.00 ? 9 GLU B OE1 30 ATOM 41980 O OE2 . GLU B 1 9 ? 22.913 -4.326 -0.544 1.00 0.00 ? 9 GLU B OE2 30 ATOM 41981 H H . GLU B 1 9 ? 20.653 -3.199 -2.539 1.00 0.00 ? 9 GLU B H 30 ATOM 41982 H HA . GLU B 1 9 ? 18.224 -4.630 -2.105 1.00 0.00 ? 9 GLU B HA 30 ATOM 41983 H HB2 . GLU B 1 9 ? 19.562 -2.814 -0.107 1.00 0.00 ? 9 GLU B HB2 30 ATOM 41984 H HB3 . GLU B 1 9 ? 18.575 -4.234 0.210 1.00 0.00 ? 9 GLU B HB3 30 ATOM 41985 H HG2 . GLU B 1 9 ? 20.465 -5.369 0.411 1.00 0.00 ? 9 GLU B HG2 30 ATOM 41986 H HG3 . GLU B 1 9 ? 20.659 -5.198 -1.333 1.00 0.00 ? 9 GLU B HG3 30 ATOM 41987 N N . ILE B 1 10 ? 17.957 -1.508 -2.620 1.00 0.00 ? 10 ILE B N 30 ATOM 41988 C CA . ILE B 1 10 ? 17.064 -0.370 -2.747 1.00 0.00 ? 10 ILE B CA 30 ATOM 41989 C C . ILE B 1 10 ? 16.108 -0.580 -3.918 1.00 0.00 ? 10 ILE B C 30 ATOM 41990 O O . ILE B 1 10 ? 14.982 -0.084 -3.914 1.00 0.00 ? 10 ILE B O 30 ATOM 41991 C CB . ILE B 1 10 ? 17.889 0.928 -2.940 1.00 0.00 ? 10 ILE B CB 30 ATOM 41992 C CG1 . ILE B 1 10 ? 18.602 1.297 -1.639 1.00 0.00 ? 10 ILE B CG1 30 ATOM 41993 C CG2 . ILE B 1 10 ? 17.031 2.092 -3.416 1.00 0.00 ? 10 ILE B CG2 30 ATOM 41994 C CD1 . ILE B 1 10 ? 19.623 2.401 -1.805 1.00 0.00 ? 10 ILE B CD1 30 ATOM 41995 H H . ILE B 1 10 ? 18.806 -1.481 -3.095 1.00 0.00 ? 10 ILE B H 30 ATOM 41996 H HA . ILE B 1 10 ? 16.493 -0.286 -1.833 1.00 0.00 ? 10 ILE B HA 30 ATOM 41997 H HB . ILE B 1 10 ? 18.631 0.737 -3.698 1.00 0.00 ? 10 ILE B HB 30 ATOM 41998 H HG12 . ILE B 1 10 ? 17.871 1.629 -0.918 1.00 0.00 ? 10 ILE B HG12 30 ATOM 41999 H HG13 . ILE B 1 10 ? 19.112 0.426 -1.255 1.00 0.00 ? 10 ILE B HG13 30 ATOM 42000 H HG21 . ILE B 1 10 ? 16.464 1.793 -4.284 1.00 0.00 ? 10 ILE B HG21 30 ATOM 42001 H HG22 . ILE B 1 10 ? 16.357 2.390 -2.627 1.00 0.00 ? 10 ILE B HG22 30 ATOM 42002 H HG23 . ILE B 1 10 ? 17.674 2.922 -3.675 1.00 0.00 ? 10 ILE B HG23 30 ATOM 42003 H HD11 . ILE B 1 10 ? 19.306 3.070 -2.592 1.00 0.00 ? 10 ILE B HD11 30 ATOM 42004 H HD12 . ILE B 1 10 ? 19.713 2.951 -0.880 1.00 0.00 ? 10 ILE B HD12 30 ATOM 42005 H HD13 . ILE B 1 10 ? 20.580 1.971 -2.063 1.00 0.00 ? 10 ILE B HD13 30 ATOM 42006 N N . SER B 1 11 ? 16.564 -1.333 -4.913 1.00 0.00 ? 11 SER B N 30 ATOM 42007 C CA . SER B 1 11 ? 15.746 -1.622 -6.080 1.00 0.00 ? 11 SER B CA 30 ATOM 42008 C C . SER B 1 11 ? 14.778 -2.754 -5.768 1.00 0.00 ? 11 SER B C 30 ATOM 42009 O O . SER B 1 11 ? 13.675 -2.814 -6.313 1.00 0.00 ? 11 SER B O 30 ATOM 42010 C CB . SER B 1 11 ? 16.628 -1.999 -7.274 1.00 0.00 ? 11 SER B CB 30 ATOM 42011 O OG . SER B 1 11 ? 16.096 -1.488 -8.485 1.00 0.00 ? 11 SER B OG 30 ATOM 42012 H H . SER B 1 11 ? 17.465 -1.712 -4.854 1.00 0.00 ? 11 SER B H 30 ATOM 42013 H HA . SER B 1 11 ? 15.181 -0.734 -6.321 1.00 0.00 ? 11 SER B HA 30 ATOM 42014 H HB2 . SER B 1 11 ? 17.617 -1.590 -7.129 1.00 0.00 ? 11 SER B HB2 30 ATOM 42015 H HB3 . SER B 1 11 ? 16.690 -3.074 -7.346 1.00 0.00 ? 11 SER B HB3 30 ATOM 42016 H HG . SER B 1 11 ? 15.638 -0.662 -8.312 1.00 0.00 ? 11 SER B HG 30 ATOM 42017 N N . HIS B 1 12 ? 15.197 -3.644 -4.874 1.00 0.00 ? 12 HIS B N 30 ATOM 42018 C CA . HIS B 1 12 ? 14.369 -4.769 -4.477 1.00 0.00 ? 12 HIS B CA 30 ATOM 42019 C C . HIS B 1 12 ? 13.308 -4.307 -3.475 1.00 0.00 ? 12 HIS B C 30 ATOM 42020 O O . HIS B 1 12 ? 12.131 -4.641 -3.613 1.00 0.00 ? 12 HIS B O 30 ATOM 42021 C CB . HIS B 1 12 ? 15.265 -5.900 -3.921 1.00 0.00 ? 12 HIS B CB 30 ATOM 42022 C CG . HIS B 1 12 ? 14.747 -6.602 -2.699 1.00 0.00 ? 12 HIS B CG 30 ATOM 42023 N ND1 . HIS B 1 12 ? 13.930 -7.711 -2.751 1.00 0.00 ? 12 HIS B ND1 30 ATOM 42024 C CD2 . HIS B 1 12 ? 14.943 -6.341 -1.388 1.00 0.00 ? 12 HIS B CD2 30 ATOM 42025 C CE1 . HIS B 1 12 ? 13.644 -8.102 -1.521 1.00 0.00 ? 12 HIS B CE1 30 ATOM 42026 N NE2 . HIS B 1 12 ? 14.249 -7.287 -0.677 1.00 0.00 ? 12 HIS B NE2 30 ATOM 42027 H H . HIS B 1 12 ? 16.085 -3.537 -4.468 1.00 0.00 ? 12 HIS B H 30 ATOM 42028 H HA . HIS B 1 12 ? 13.864 -5.126 -5.362 1.00 0.00 ? 12 HIS B HA 30 ATOM 42029 H HB2 . HIS B 1 12 ? 15.394 -6.646 -4.689 1.00 0.00 ? 12 HIS B HB2 30 ATOM 42030 H HB3 . HIS B 1 12 ? 16.232 -5.484 -3.676 1.00 0.00 ? 12 HIS B HB3 30 ATOM 42031 H HD1 . HIS B 1 12 ? 13.606 -8.147 -3.568 1.00 0.00 ? 12 HIS B HD1 30 ATOM 42032 H HD2 . HIS B 1 12 ? 15.536 -5.534 -0.980 1.00 0.00 ? 12 HIS B HD2 30 ATOM 42033 H HE1 . HIS B 1 12 ? 13.025 -8.945 -1.253 1.00 0.00 ? 12 HIS B HE1 30 ATOM 42034 H HE2 . HIS B 1 12 ? 14.206 -7.350 0.300 1.00 0.00 ? 12 HIS B HE2 30 ATOM 42035 N N . HIS B 1 13 ? 13.718 -3.522 -2.479 1.00 0.00 ? 13 HIS B N 30 ATOM 42036 C CA . HIS B 1 13 ? 12.773 -3.016 -1.492 1.00 0.00 ? 13 HIS B CA 30 ATOM 42037 C C . HIS B 1 13 ? 11.855 -1.981 -2.124 1.00 0.00 ? 13 HIS B C 30 ATOM 42038 O O . HIS B 1 13 ? 10.742 -1.765 -1.660 1.00 0.00 ? 13 HIS B O 30 ATOM 42039 C CB . HIS B 1 13 ? 13.491 -2.383 -0.305 1.00 0.00 ? 13 HIS B CB 30 ATOM 42040 C CG . HIS B 1 13 ? 14.352 -3.321 0.471 1.00 0.00 ? 13 HIS B CG 30 ATOM 42041 N ND1 . HIS B 1 13 ? 14.072 -4.660 0.633 1.00 0.00 ? 13 HIS B ND1 30 ATOM 42042 C CD2 . HIS B 1 13 ? 15.496 -3.090 1.143 1.00 0.00 ? 13 HIS B CD2 30 ATOM 42043 C CE1 . HIS B 1 13 ? 15.015 -5.215 1.376 1.00 0.00 ? 13 HIS B CE1 30 ATOM 42044 N NE2 . HIS B 1 13 ? 15.891 -4.282 1.698 1.00 0.00 ? 13 HIS B NE2 30 ATOM 42045 H H . HIS B 1 13 ? 14.666 -3.267 -2.415 1.00 0.00 ? 13 HIS B H 30 ATOM 42046 H HA . HIS B 1 13 ? 12.177 -3.848 -1.144 1.00 0.00 ? 13 HIS B HA 30 ATOM 42047 H HB2 . HIS B 1 13 ? 14.121 -1.586 -0.661 1.00 0.00 ? 13 HIS B HB2 30 ATOM 42048 H HB3 . HIS B 1 13 ? 12.754 -1.975 0.371 1.00 0.00 ? 13 HIS B HB3 30 ATOM 42049 H HD1 . HIS B 1 13 ? 13.299 -5.134 0.260 1.00 0.00 ? 13 HIS B HD1 30 ATOM 42050 H HD2 . HIS B 1 13 ? 15.999 -2.138 1.229 1.00 0.00 ? 13 HIS B HD2 30 ATOM 42051 H HE1 . HIS B 1 13 ? 15.060 -6.254 1.669 1.00 0.00 ? 13 HIS B HE1 30 ATOM 42052 H HE2 . HIS B 1 13 ? 16.693 -4.420 2.244 1.00 0.00 ? 13 HIS B HE2 30 ATOM 42053 N N . ALA B 1 14 ? 12.338 -1.335 -3.185 1.00 0.00 ? 14 ALA B N 30 ATOM 42054 C CA . ALA B 1 14 ? 11.557 -0.318 -3.876 1.00 0.00 ? 14 ALA B CA 30 ATOM 42055 C C . ALA B 1 14 ? 10.405 -0.954 -4.639 1.00 0.00 ? 14 ALA B C 30 ATOM 42056 O O . ALA B 1 14 ? 9.274 -0.473 -4.586 1.00 0.00 ? 14 ALA B O 30 ATOM 42057 C CB . ALA B 1 14 ? 12.443 0.484 -4.817 1.00 0.00 ? 14 ALA B CB 30 ATOM 42058 H H . ALA B 1 14 ? 13.240 -1.546 -3.507 1.00 0.00 ? 14 ALA B H 30 ATOM 42059 H HA . ALA B 1 14 ? 11.152 0.356 -3.131 1.00 0.00 ? 14 ALA B HA 30 ATOM 42060 H HB1 . ALA B 1 14 ? 13.056 -0.191 -5.396 1.00 0.00 ? 14 ALA B HB1 30 ATOM 42061 H HB2 . ALA B 1 14 ? 13.077 1.142 -4.241 1.00 0.00 ? 14 ALA B HB2 30 ATOM 42062 H HB3 . ALA B 1 14 ? 11.825 1.069 -5.482 1.00 0.00 ? 14 ALA B HB3 30 ATOM 42063 N N . LYS B 1 15 ? 10.693 -2.047 -5.336 1.00 0.00 ? 15 LYS B N 30 ATOM 42064 C CA . LYS B 1 15 ? 9.665 -2.750 -6.090 1.00 0.00 ? 15 LYS B CA 30 ATOM 42065 C C . LYS B 1 15 ? 8.672 -3.401 -5.134 1.00 0.00 ? 15 LYS B C 30 ATOM 42066 O O . LYS B 1 15 ? 7.500 -3.586 -5.465 1.00 0.00 ? 15 LYS B O 30 ATOM 42067 C CB . LYS B 1 15 ? 10.295 -3.808 -6.997 1.00 0.00 ? 15 LYS B CB 30 ATOM 42068 C CG . LYS B 1 15 ? 9.330 -4.386 -8.020 1.00 0.00 ? 15 LYS B CG 30 ATOM 42069 C CD . LYS B 1 15 ? 10.060 -4.874 -9.261 1.00 0.00 ? 15 LYS B CD 30 ATOM 42070 C CE . LYS B 1 15 ? 9.091 -5.188 -10.389 1.00 0.00 ? 15 LYS B CE 30 ATOM 42071 N NZ . LYS B 1 15 ? 9.727 -6.012 -11.454 1.00 0.00 ? 15 LYS B NZ 30 ATOM 42072 H H . LYS B 1 15 ? 11.612 -2.395 -5.334 1.00 0.00 ? 15 LYS B H 30 ATOM 42073 H HA . LYS B 1 15 ? 9.143 -2.025 -6.698 1.00 0.00 ? 15 LYS B HA 30 ATOM 42074 H HB2 . LYS B 1 15 ? 11.124 -3.364 -7.527 1.00 0.00 ? 15 LYS B HB2 30 ATOM 42075 H HB3 . LYS B 1 15 ? 10.664 -4.618 -6.385 1.00 0.00 ? 15 LYS B HB3 30 ATOM 42076 H HG2 . LYS B 1 15 ? 8.803 -5.217 -7.575 1.00 0.00 ? 15 LYS B HG2 30 ATOM 42077 H HG3 . LYS B 1 15 ? 8.624 -3.621 -8.306 1.00 0.00 ? 15 LYS B HG3 30 ATOM 42078 H HD2 . LYS B 1 15 ? 10.744 -4.106 -9.590 1.00 0.00 ? 15 LYS B HD2 30 ATOM 42079 H HD3 . LYS B 1 15 ? 10.612 -5.769 -9.013 1.00 0.00 ? 15 LYS B HD3 30 ATOM 42080 H HE2 . LYS B 1 15 ? 8.249 -5.729 -9.983 1.00 0.00 ? 15 LYS B HE2 30 ATOM 42081 H HE3 . LYS B 1 15 ? 8.748 -4.259 -10.821 1.00 0.00 ? 15 LYS B HE3 30 ATOM 42082 H HZ1 . LYS B 1 15 ? 10.677 -6.310 -11.156 1.00 0.00 ? 15 LYS B HZ1 30 ATOM 42083 H HZ2 . LYS B 1 15 ? 9.153 -6.859 -11.642 1.00 0.00 ? 15 LYS B HZ2 30 ATOM 42084 H HZ3 . LYS B 1 15 ? 9.809 -5.460 -12.332 1.00 0.00 ? 15 LYS B HZ3 30 ATOM 42085 N N . GLU B 1 16 ? 9.154 -3.739 -3.942 1.00 0.00 ? 16 GLU B N 30 ATOM 42086 C CA . GLU B 1 16 ? 8.319 -4.363 -2.927 1.00 0.00 ? 16 GLU B CA 30 ATOM 42087 C C . GLU B 1 16 ? 7.287 -3.378 -2.389 1.00 0.00 ? 16 GLU B C 30 ATOM 42088 O O . GLU B 1 16 ? 6.108 -3.712 -2.259 1.00 0.00 ? 16 GLU B O 30 ATOM 42089 C CB . GLU B 1 16 ? 9.182 -4.893 -1.781 1.00 0.00 ? 16 GLU B CB 30 ATOM 42090 C CG . GLU B 1 16 ? 9.318 -6.406 -1.770 1.00 0.00 ? 16 GLU B CG 30 ATOM 42091 C CD . GLU B 1 16 ? 9.652 -6.970 -3.138 1.00 0.00 ? 16 GLU B CD 30 ATOM 42092 O OE1 . GLU B 1 16 ? 10.743 -6.659 -3.658 1.00 0.00 ? 16 GLU B OE1 30 ATOM 42093 O OE2 . GLU B 1 16 ? 8.821 -7.723 -3.688 1.00 0.00 ? 16 GLU B OE2 30 ATOM 42094 H H . GLU B 1 16 ? 10.097 -3.561 -3.739 1.00 0.00 ? 16 GLU B H 30 ATOM 42095 H HA . GLU B 1 16 ? 7.801 -5.192 -3.388 1.00 0.00 ? 16 GLU B HA 30 ATOM 42096 H HB2 . GLU B 1 16 ? 10.170 -4.464 -1.862 1.00 0.00 ? 16 GLU B HB2 30 ATOM 42097 H HB3 . GLU B 1 16 ? 8.742 -4.586 -0.844 1.00 0.00 ? 16 GLU B HB3 30 ATOM 42098 H HG2 . GLU B 1 16 ? 10.106 -6.680 -1.084 1.00 0.00 ? 16 GLU B HG2 30 ATOM 42099 H HG3 . GLU B 1 16 ? 8.386 -6.836 -1.437 1.00 0.00 ? 16 GLU B HG3 30 ATOM 42100 N N . ILE B 1 17 ? 7.729 -2.160 -2.077 1.00 0.00 ? 17 ILE B N 30 ATOM 42101 C CA . ILE B 1 17 ? 6.824 -1.146 -1.555 1.00 0.00 ? 17 ILE B CA 30 ATOM 42102 C C . ILE B 1 17 ? 5.788 -0.760 -2.612 1.00 0.00 ? 17 ILE B C 30 ATOM 42103 O O . ILE B 1 17 ? 4.609 -0.589 -2.310 1.00 0.00 ? 17 ILE B O 30 ATOM 42104 C CB . ILE B 1 17 ? 7.594 0.105 -1.039 1.00 0.00 ? 17 ILE B CB 30 ATOM 42105 C CG1 . ILE B 1 17 ? 7.870 1.119 -2.161 1.00 0.00 ? 17 ILE B CG1 30 ATOM 42106 C CG2 . ILE B 1 17 ? 8.904 -0.308 -0.387 1.00 0.00 ? 17 ILE B CG2 30 ATOM 42107 C CD1 . ILE B 1 17 ? 6.690 2.017 -2.467 1.00 0.00 ? 17 ILE B CD1 30 ATOM 42108 H H . ILE B 1 17 ? 8.680 -1.940 -2.200 1.00 0.00 ? 17 ILE B H 30 ATOM 42109 H HA . ILE B 1 17 ? 6.300 -1.582 -0.713 1.00 0.00 ? 17 ILE B HA 30 ATOM 42110 H HB . ILE B 1 17 ? 6.990 0.576 -0.279 1.00 0.00 ? 17 ILE B HB 30 ATOM 42111 H HG12 . ILE B 1 17 ? 8.698 1.749 -1.873 1.00 0.00 ? 17 ILE B HG12 30 ATOM 42112 H HG13 . ILE B 1 17 ? 8.125 0.587 -3.064 1.00 0.00 ? 17 ILE B HG13 30 ATOM 42113 H HG21 . ILE B 1 17 ? 8.961 -1.384 -0.338 1.00 0.00 ? 17 ILE B HG21 30 ATOM 42114 H HG22 . ILE B 1 17 ? 9.731 0.070 -0.968 1.00 0.00 ? 17 ILE B HG22 30 ATOM 42115 H HG23 . ILE B 1 17 ? 8.949 0.098 0.610 1.00 0.00 ? 17 ILE B HG23 30 ATOM 42116 H HD11 . ILE B 1 17 ? 5.815 1.650 -1.952 1.00 0.00 ? 17 ILE B HD11 30 ATOM 42117 H HD12 . ILE B 1 17 ? 6.908 3.022 -2.134 1.00 0.00 ? 17 ILE B HD12 30 ATOM 42118 H HD13 . ILE B 1 17 ? 6.508 2.022 -3.530 1.00 0.00 ? 17 ILE B HD13 30 ATOM 42119 N N . GLU B 1 18 ? 6.237 -0.639 -3.857 1.00 0.00 ? 18 GLU B N 30 ATOM 42120 C CA . GLU B 1 18 ? 5.347 -0.287 -4.955 1.00 0.00 ? 18 GLU B CA 30 ATOM 42121 C C . GLU B 1 18 ? 4.336 -1.401 -5.205 1.00 0.00 ? 18 GLU B C 30 ATOM 42122 O O . GLU B 1 18 ? 3.245 -1.160 -5.720 1.00 0.00 ? 18 GLU B O 30 ATOM 42123 C CB . GLU B 1 18 ? 6.154 -0.019 -6.228 1.00 0.00 ? 18 GLU B CB 30 ATOM 42124 C CG . GLU B 1 18 ? 5.500 0.986 -7.162 1.00 0.00 ? 18 GLU B CG 30 ATOM 42125 C CD . GLU B 1 18 ? 6.213 1.093 -8.495 1.00 0.00 ? 18 GLU B CD 30 ATOM 42126 O OE1 . GLU B 1 18 ? 5.956 0.245 -9.376 1.00 0.00 ? 18 GLU B OE1 30 ATOM 42127 O OE2 . GLU B 1 18 ? 7.029 2.024 -8.659 1.00 0.00 ? 18 GLU B OE2 30 ATOM 42128 H H . GLU B 1 18 ? 7.186 -0.800 -4.042 1.00 0.00 ? 18 GLU B H 30 ATOM 42129 H HA . GLU B 1 18 ? 4.816 0.611 -4.679 1.00 0.00 ? 18 GLU B HA 30 ATOM 42130 H HB2 . GLU B 1 18 ? 7.126 0.361 -5.951 1.00 0.00 ? 18 GLU B HB2 30 ATOM 42131 H HB3 . GLU B 1 18 ? 6.279 -0.948 -6.764 1.00 0.00 ? 18 GLU B HB3 30 ATOM 42132 H HG2 . GLU B 1 18 ? 4.479 0.680 -7.341 1.00 0.00 ? 18 GLU B HG2 30 ATOM 42133 H HG3 . GLU B 1 18 ? 5.506 1.956 -6.688 1.00 0.00 ? 18 GLU B HG3 30 ATOM 42134 N N . ARG B 1 19 ? 4.710 -2.624 -4.836 1.00 0.00 ? 19 ARG B N 30 ATOM 42135 C CA . ARG B 1 19 ? 3.838 -3.778 -5.019 1.00 0.00 ? 19 ARG B CA 30 ATOM 42136 C C . ARG B 1 19 ? 2.640 -3.719 -4.074 1.00 0.00 ? 19 ARG B C 30 ATOM 42137 O O . ARG B 1 19 ? 1.497 -3.904 -4.496 1.00 0.00 ? 19 ARG B O 30 ATOM 42138 C CB . ARG B 1 19 ? 4.619 -5.073 -4.789 1.00 0.00 ? 19 ARG B CB 30 ATOM 42139 C CG . ARG B 1 19 ? 4.342 -6.143 -5.832 1.00 0.00 ? 19 ARG B CG 30 ATOM 42140 C CD . ARG B 1 19 ? 5.612 -6.879 -6.226 1.00 0.00 ? 19 ARG B CD 30 ATOM 42141 N NE . ARG B 1 19 ? 5.327 -8.124 -6.934 1.00 0.00 ? 19 ARG B NE 30 ATOM 42142 C CZ . ARG B 1 19 ? 5.000 -9.258 -6.325 1.00 0.00 ? 19 ARG B CZ 30 ATOM 42143 N NH1 . ARG B 1 19 ? 4.917 -9.305 -5.002 1.00 0.00 ? 19 ARG B NH1 30 ATOM 42144 N NH2 . ARG B 1 19 ? 4.754 -10.349 -7.038 1.00 0.00 ? 19 ARG B NH2 30 ATOM 42145 H H . ARG B 1 19 ? 5.594 -2.753 -4.433 1.00 0.00 ? 19 ARG B H 30 ATOM 42146 H HA . ARG B 1 19 ? 3.478 -3.762 -6.036 1.00 0.00 ? 19 ARG B HA 30 ATOM 42147 H HB2 . ARG B 1 19 ? 5.676 -4.850 -4.804 1.00 0.00 ? 19 ARG B HB2 30 ATOM 42148 H HB3 . ARG B 1 19 ? 4.358 -5.470 -3.819 1.00 0.00 ? 19 ARG B HB3 30 ATOM 42149 H HG2 . ARG B 1 19 ? 3.637 -6.854 -5.426 1.00 0.00 ? 19 ARG B HG2 30 ATOM 42150 H HG3 . ARG B 1 19 ? 3.921 -5.676 -6.710 1.00 0.00 ? 19 ARG B HG3 30 ATOM 42151 H HD2 . ARG B 1 19 ? 6.201 -6.239 -6.865 1.00 0.00 ? 19 ARG B HD2 30 ATOM 42152 H HD3 . ARG B 1 19 ? 6.174 -7.106 -5.331 1.00 0.00 ? 19 ARG B HD3 30 ATOM 42153 H HE . ARG B 1 19 ? 5.382 -8.112 -7.912 1.00 0.00 ? 19 ARG B HE 30 ATOM 42154 H HH11 . ARG B 1 19 ? 5.101 -8.484 -4.461 1.00 0.00 ? 19 ARG B HH11 30 ATOM 42155 H HH12 . ARG B 1 19 ? 4.671 -10.160 -4.546 1.00 0.00 ? 19 ARG B HH12 30 ATOM 42156 H HH21 . ARG B 1 19 ? 4.815 -10.318 -8.036 1.00 0.00 ? 19 ARG B HH21 30 ATOM 42157 H HH22 . ARG B 1 19 ? 4.509 -11.202 -6.579 1.00 0.00 ? 19 ARG B HH22 30 ATOM 42158 N N . LEU B 1 20 ? 2.904 -3.461 -2.795 1.00 0.00 ? 20 LEU B N 30 ATOM 42159 C CA . LEU B 1 20 ? 1.839 -3.383 -1.805 1.00 0.00 ? 20 LEU B CA 30 ATOM 42160 C C . LEU B 1 20 ? 1.007 -2.121 -2.005 1.00 0.00 ? 20 LEU B C 30 ATOM 42161 O O . LEU B 1 20 ? -0.167 -2.073 -1.634 1.00 0.00 ? 20 LEU B O 30 ATOM 42162 C CB . LEU B 1 20 ? 2.422 -3.413 -0.391 1.00 0.00 ? 20 LEU B CB 30 ATOM 42163 C CG . LEU B 1 20 ? 2.695 -4.810 0.167 1.00 0.00 ? 20 LEU B CG 30 ATOM 42164 C CD1 . LEU B 1 20 ? 1.396 -5.482 0.584 1.00 0.00 ? 20 LEU B CD1 30 ATOM 42165 C CD2 . LEU B 1 20 ? 3.431 -5.658 -0.860 1.00 0.00 ? 20 LEU B CD2 30 ATOM 42166 H H . LEU B 1 20 ? 3.833 -3.319 -2.512 1.00 0.00 ? 20 LEU B H 30 ATOM 42167 H HA . LEU B 1 20 ? 1.200 -4.243 -1.938 1.00 0.00 ? 20 LEU B HA 30 ATOM 42168 H HB2 . LEU B 1 20 ? 3.351 -2.861 -0.397 1.00 0.00 ? 20 LEU B HB2 30 ATOM 42169 H HB3 . LEU B 1 20 ? 1.731 -2.915 0.272 1.00 0.00 ? 20 LEU B HB3 30 ATOM 42170 H HG . LEU B 1 20 ? 3.323 -4.725 1.042 1.00 0.00 ? 20 LEU B HG 30 ATOM 42171 H HD11 . LEU B 1 20 ? 0.639 -4.729 0.750 1.00 0.00 ? 20 LEU B HD11 30 ATOM 42172 H HD12 . LEU B 1 20 ? 1.071 -6.154 -0.197 1.00 0.00 ? 20 LEU B HD12 30 ATOM 42173 H HD13 . LEU B 1 20 ? 1.555 -6.040 1.495 1.00 0.00 ? 20 LEU B HD13 30 ATOM 42174 H HD21 . LEU B 1 20 ? 4.270 -5.102 -1.252 1.00 0.00 ? 20 LEU B HD21 30 ATOM 42175 H HD22 . LEU B 1 20 ? 3.786 -6.564 -0.391 1.00 0.00 ? 20 LEU B HD22 30 ATOM 42176 H HD23 . LEU B 1 20 ? 2.758 -5.911 -1.666 1.00 0.00 ? 20 LEU B HD23 30 ATOM 42177 N N . GLN B 1 21 ? 1.617 -1.103 -2.603 1.00 0.00 ? 21 GLN B N 30 ATOM 42178 C CA . GLN B 1 21 ? 0.928 0.155 -2.862 1.00 0.00 ? 21 GLN B CA 30 ATOM 42179 C C . GLN B 1 21 ? 0.007 0.019 -4.068 1.00 0.00 ? 21 GLN B C 30 ATOM 42180 O O . GLN B 1 21 ? -1.034 0.671 -4.145 1.00 0.00 ? 21 GLN B O 30 ATOM 42181 C CB . GLN B 1 21 ? 1.937 1.280 -3.096 1.00 0.00 ? 21 GLN B CB 30 ATOM 42182 C CG . GLN B 1 21 ? 1.301 2.586 -3.543 1.00 0.00 ? 21 GLN B CG 30 ATOM 42183 C CD . GLN B 1 21 ? 2.042 3.803 -3.024 1.00 0.00 ? 21 GLN B CD 30 ATOM 42184 O OE1 . GLN B 1 21 ? 1.509 4.574 -2.226 1.00 0.00 ? 21 GLN B OE1 30 ATOM 42185 N NE2 . GLN B 1 21 ? 3.277 3.982 -3.476 1.00 0.00 ? 21 GLN B NE2 30 ATOM 42186 H H . GLN B 1 21 ? 2.552 -1.202 -2.883 1.00 0.00 ? 21 GLN B H 30 ATOM 42187 H HA . GLN B 1 21 ? 0.331 0.390 -1.993 1.00 0.00 ? 21 GLN B HA 30 ATOM 42188 H HB2 . GLN B 1 21 ? 2.474 1.464 -2.178 1.00 0.00 ? 21 GLN B HB2 30 ATOM 42189 H HB3 . GLN B 1 21 ? 2.639 0.968 -3.857 1.00 0.00 ? 21 GLN B HB3 30 ATOM 42190 H HG2 . GLN B 1 21 ? 1.298 2.620 -4.622 1.00 0.00 ? 21 GLN B HG2 30 ATOM 42191 H HG3 . GLN B 1 21 ? 0.284 2.619 -3.180 1.00 0.00 ? 21 GLN B HG3 30 ATOM 42192 H HE21 . GLN B 1 21 ? 3.637 3.328 -4.112 1.00 0.00 ? 21 GLN B HE21 30 ATOM 42193 H HE22 . GLN B 1 21 ? 3.778 4.761 -3.157 1.00 0.00 ? 21 GLN B HE22 30 ATOM 42194 N N . LYS B 1 22 ? 0.394 -0.840 -5.004 1.00 0.00 ? 22 LYS B N 30 ATOM 42195 C CA . LYS B 1 22 ? -0.403 -1.071 -6.202 1.00 0.00 ? 22 LYS B CA 30 ATOM 42196 C C . LYS B 1 22 ? -1.679 -1.825 -5.848 1.00 0.00 ? 22 LYS B C 30 ATOM 42197 O O . LYS B 1 22 ? -2.760 -1.506 -6.344 1.00 0.00 ? 22 LYS B O 30 ATOM 42198 C CB . LYS B 1 22 ? 0.404 -1.860 -7.235 1.00 0.00 ? 22 LYS B CB 30 ATOM 42199 C CG . LYS B 1 22 ? 0.103 -1.465 -8.671 1.00 0.00 ? 22 LYS B CG 30 ATOM 42200 C CD . LYS B 1 22 ? -0.185 -2.682 -9.536 1.00 0.00 ? 22 LYS B CD 30 ATOM 42201 C CE . LYS B 1 22 ? -1.666 -3.023 -9.539 1.00 0.00 ? 22 LYS B CE 30 ATOM 42202 N NZ . LYS B 1 22 ? -2.215 -3.106 -10.920 1.00 0.00 ? 22 LYS B NZ 30 ATOM 42203 H H . LYS B 1 22 ? 1.231 -1.337 -4.883 1.00 0.00 ? 22 LYS B H 30 ATOM 42204 H HA . LYS B 1 22 ? -0.666 -0.111 -6.616 1.00 0.00 ? 22 LYS B HA 30 ATOM 42205 H HB2 . LYS B 1 22 ? 1.456 -1.700 -7.052 1.00 0.00 ? 22 LYS B HB2 30 ATOM 42206 H HB3 . LYS B 1 22 ? 0.183 -2.912 -7.121 1.00 0.00 ? 22 LYS B HB3 30 ATOM 42207 H HG2 . LYS B 1 22 ? -0.758 -0.815 -8.683 1.00 0.00 ? 22 LYS B HG2 30 ATOM 42208 H HG3 . LYS B 1 22 ? 0.957 -0.941 -9.076 1.00 0.00 ? 22 LYS B HG3 30 ATOM 42209 H HD2 . LYS B 1 22 ? 0.128 -2.474 -10.548 1.00 0.00 ? 22 LYS B HD2 30 ATOM 42210 H HD3 . LYS B 1 22 ? 0.370 -3.524 -9.151 1.00 0.00 ? 22 LYS B HD3 30 ATOM 42211 H HE2 . LYS B 1 22 ? -1.803 -3.976 -9.050 1.00 0.00 ? 22 LYS B HE2 30 ATOM 42212 H HE3 . LYS B 1 22 ? -2.200 -2.260 -8.992 1.00 0.00 ? 22 LYS B HE3 30 ATOM 42213 H HZ1 . LYS B 1 22 ? -1.701 -2.455 -11.548 1.00 0.00 ? 22 LYS B HZ1 30 ATOM 42214 H HZ2 . LYS B 1 22 ? -2.116 -4.073 -11.288 1.00 0.00 ? 22 LYS B HZ2 30 ATOM 42215 H HZ3 . LYS B 1 22 ? -3.222 -2.847 -10.920 1.00 0.00 ? 22 LYS B HZ3 30 ATOM 42216 N N . GLU B 1 23 ? -1.544 -2.823 -4.981 1.00 0.00 ? 23 GLU B N 30 ATOM 42217 C CA . GLU B 1 23 ? -2.686 -3.620 -4.552 1.00 0.00 ? 23 GLU B CA 30 ATOM 42218 C C . GLU B 1 23 ? -3.683 -2.759 -3.786 1.00 0.00 ? 23 GLU B C 30 ATOM 42219 O O . GLU B 1 23 ? -4.885 -2.807 -4.048 1.00 0.00 ? 23 GLU B O 30 ATOM 42220 C CB . GLU B 1 23 ? -2.224 -4.790 -3.681 1.00 0.00 ? 23 GLU B CB 30 ATOM 42221 C CG . GLU B 1 23 ? -3.095 -6.028 -3.813 1.00 0.00 ? 23 GLU B CG 30 ATOM 42222 C CD . GLU B 1 23 ? -2.345 -7.208 -4.401 1.00 0.00 ? 23 GLU B CD 30 ATOM 42223 O OE1 . GLU B 1 23 ? -2.287 -7.315 -5.644 1.00 0.00 ? 23 GLU B OE1 30 ATOM 42224 O OE2 . GLU B 1 23 ? -1.818 -8.025 -3.618 1.00 0.00 ? 23 GLU B OE2 30 ATOM 42225 H H . GLU B 1 23 ? -0.655 -3.026 -4.617 1.00 0.00 ? 23 GLU B H 30 ATOM 42226 H HA . GLU B 1 23 ? -3.169 -4.007 -5.437 1.00 0.00 ? 23 GLU B HA 30 ATOM 42227 H HB2 . GLU B 1 23 ? -1.214 -5.055 -3.959 1.00 0.00 ? 23 GLU B HB2 30 ATOM 42228 H HB3 . GLU B 1 23 ? -2.233 -4.478 -2.646 1.00 0.00 ? 23 GLU B HB3 30 ATOM 42229 H HG2 . GLU B 1 23 ? -3.459 -6.303 -2.835 1.00 0.00 ? 23 GLU B HG2 30 ATOM 42230 H HG3 . GLU B 1 23 ? -3.932 -5.796 -4.456 1.00 0.00 ? 23 GLU B HG3 30 ATOM 42231 N N . ILE B 1 24 ? -3.180 -1.965 -2.846 1.00 0.00 ? 24 ILE B N 30 ATOM 42232 C CA . ILE B 1 24 ? -4.038 -1.090 -2.059 1.00 0.00 ? 24 ILE B CA 30 ATOM 42233 C C . ILE B 1 24 ? -4.702 -0.055 -2.956 1.00 0.00 ? 24 ILE B C 30 ATOM 42234 O O . ILE B 1 24 ? -5.796 0.425 -2.663 1.00 0.00 ? 24 ILE B O 30 ATOM 42235 C CB . ILE B 1 24 ? -3.248 -0.374 -0.942 1.00 0.00 ? 24 ILE B CB 30 ATOM 42236 C CG1 . ILE B 1 24 ? -4.178 0.493 -0.085 1.00 0.00 ? 24 ILE B CG1 30 ATOM 42237 C CG2 . ILE B 1 24 ? -2.121 0.456 -1.530 1.00 0.00 ? 24 ILE B CG2 30 ATOM 42238 C CD1 . ILE B 1 24 ? -4.578 1.803 -0.728 1.00 0.00 ? 24 ILE B CD1 30 ATOM 42239 H H . ILE B 1 24 ? -2.212 -1.961 -2.685 1.00 0.00 ? 24 ILE B H 30 ATOM 42240 H HA . ILE B 1 24 ? -4.803 -1.699 -1.599 1.00 0.00 ? 24 ILE B HA 30 ATOM 42241 H HB . ILE B 1 24 ? -2.803 -1.130 -0.315 1.00 0.00 ? 24 ILE B HB 30 ATOM 42242 H HG12 . ILE B 1 24 ? -5.081 -0.059 0.125 1.00 0.00 ? 24 ILE B HG12 30 ATOM 42243 H HG13 . ILE B 1 24 ? -3.680 0.722 0.846 1.00 0.00 ? 24 ILE B HG13 30 ATOM 42244 H HG21 . ILE B 1 24 ? -1.525 -0.161 -2.184 1.00 0.00 ? 24 ILE B HG21 30 ATOM 42245 H HG22 . ILE B 1 24 ? -2.536 1.281 -2.091 1.00 0.00 ? 24 ILE B HG22 30 ATOM 42246 H HG23 . ILE B 1 24 ? -1.503 0.837 -0.731 1.00 0.00 ? 24 ILE B HG23 30 ATOM 42247 H HD11 . ILE B 1 24 ? -4.066 1.914 -1.672 1.00 0.00 ? 24 ILE B HD11 30 ATOM 42248 H HD12 . ILE B 1 24 ? -5.646 1.808 -0.895 1.00 0.00 ? 24 ILE B HD12 30 ATOM 42249 H HD13 . ILE B 1 24 ? -4.313 2.622 -0.075 1.00 0.00 ? 24 ILE B HD13 30 ATOM 42250 N N . GLU B 1 25 ? -4.036 0.276 -4.058 1.00 0.00 ? 25 GLU B N 30 ATOM 42251 C CA . GLU B 1 25 ? -4.564 1.247 -5.007 1.00 0.00 ? 25 GLU B CA 30 ATOM 42252 C C . GLU B 1 25 ? -5.854 0.733 -5.633 1.00 0.00 ? 25 GLU B C 30 ATOM 42253 O O . GLU B 1 25 ? -6.855 1.448 -5.699 1.00 0.00 ? 25 GLU B O 30 ATOM 42254 C CB . GLU B 1 25 ? -3.533 1.542 -6.098 1.00 0.00 ? 25 GLU B CB 30 ATOM 42255 C CG . GLU B 1 25 ? -3.957 2.644 -7.054 1.00 0.00 ? 25 GLU B CG 30 ATOM 42256 C CD . GLU B 1 25 ? -2.793 3.212 -7.842 1.00 0.00 ? 25 GLU B CD 30 ATOM 42257 O OE1 . GLU B 1 25 ? -2.129 4.141 -7.335 1.00 0.00 ? 25 GLU B OE1 30 ATOM 42258 O OE2 . GLU B 1 25 ? -2.545 2.729 -8.967 1.00 0.00 ? 25 GLU B OE2 30 ATOM 42259 H H . GLU B 1 25 ? -3.171 -0.147 -4.239 1.00 0.00 ? 25 GLU B H 30 ATOM 42260 H HA . GLU B 1 25 ? -4.777 2.158 -4.466 1.00 0.00 ? 25 GLU B HA 30 ATOM 42261 H HB2 . GLU B 1 25 ? -2.605 1.837 -5.630 1.00 0.00 ? 25 GLU B HB2 30 ATOM 42262 H HB3 . GLU B 1 25 ? -3.366 0.642 -6.670 1.00 0.00 ? 25 GLU B HB3 30 ATOM 42263 H HG2 . GLU B 1 25 ? -4.680 2.241 -7.749 1.00 0.00 ? 25 GLU B HG2 30 ATOM 42264 H HG3 . GLU B 1 25 ? -4.412 3.441 -6.485 1.00 0.00 ? 25 GLU B HG3 30 ATOM 42265 N N . ARG B 1 26 ? -5.827 -0.517 -6.086 1.00 0.00 ? 26 ARG B N 30 ATOM 42266 C CA . ARG B 1 26 ? -7.000 -1.129 -6.700 1.00 0.00 ? 26 ARG B CA 30 ATOM 42267 C C . ARG B 1 26 ? -8.136 -1.241 -5.688 1.00 0.00 ? 26 ARG B C 30 ATOM 42268 O O . ARG B 1 26 ? -9.300 -0.985 -6.009 1.00 0.00 ? 26 ARG B O 30 ATOM 42269 C CB . ARG B 1 26 ? -6.652 -2.512 -7.251 1.00 0.00 ? 26 ARG B CB 30 ATOM 42270 C CG . ARG B 1 26 ? -7.749 -3.118 -8.112 1.00 0.00 ? 26 ARG B CG 30 ATOM 42271 C CD . ARG B 1 26 ? -7.735 -4.636 -8.045 1.00 0.00 ? 26 ARG B CD 30 ATOM 42272 N NE . ARG B 1 26 ? -7.652 -5.242 -9.371 1.00 0.00 ? 26 ARG B NE 30 ATOM 42273 C CZ . ARG B 1 26 ? -7.522 -6.549 -9.577 1.00 0.00 ? 26 ARG B CZ 30 ATOM 42274 N NH1 . ARG B 1 26 ? -7.461 -7.381 -8.546 1.00 0.00 ? 26 ARG B NH1 30 ATOM 42275 N NH2 . ARG B 1 26 ? -7.454 -7.024 -10.813 1.00 0.00 ? 26 ARG B NH2 30 ATOM 42276 H H . ARG B 1 26 ? -5.002 -1.042 -6.000 1.00 0.00 ? 26 ARG B H 30 ATOM 42277 H HA . ARG B 1 26 ? -7.318 -0.494 -7.514 1.00 0.00 ? 26 ARG B HA 30 ATOM 42278 H HB2 . ARG B 1 26 ? -5.756 -2.434 -7.849 1.00 0.00 ? 26 ARG B HB2 30 ATOM 42279 H HB3 . ARG B 1 26 ? -6.464 -3.181 -6.423 1.00 0.00 ? 26 ARG B HB3 30 ATOM 42280 H HG2 . ARG B 1 26 ? -8.706 -2.761 -7.762 1.00 0.00 ? 26 ARG B HG2 30 ATOM 42281 H HG3 . ARG B 1 26 ? -7.599 -2.809 -9.137 1.00 0.00 ? 26 ARG B HG3 30 ATOM 42282 H HD2 . ARG B 1 26 ? -6.882 -4.951 -7.462 1.00 0.00 ? 26 ARG B HD2 30 ATOM 42283 H HD3 . ARG B 1 26 ? -8.642 -4.971 -7.563 1.00 0.00 ? 26 ARG B HD3 30 ATOM 42284 H HE . ARG B 1 26 ? -7.695 -4.644 -10.147 1.00 0.00 ? 26 ARG B HE 30 ATOM 42285 H HH11 . ARG B 1 26 ? -7.512 -7.026 -7.613 1.00 0.00 ? 26 ARG B HH11 30 ATOM 42286 H HH12 . ARG B 1 26 ? -7.364 -8.364 -8.703 1.00 0.00 ? 26 ARG B HH12 30 ATOM 42287 H HH21 . ARG B 1 26 ? -7.500 -6.398 -11.591 1.00 0.00 ? 26 ARG B HH21 30 ATOM 42288 H HH22 . ARG B 1 26 ? -7.356 -8.007 -10.966 1.00 0.00 ? 26 ARG B HH22 30 ATOM 42289 N N . HIS B 1 27 ? -7.788 -1.610 -4.459 1.00 0.00 ? 27 HIS B N 30 ATOM 42290 C CA . HIS B 1 27 ? -8.774 -1.740 -3.402 1.00 0.00 ? 27 HIS B CA 30 ATOM 42291 C C . HIS B 1 27 ? -9.281 -0.369 -2.971 1.00 0.00 ? 27 HIS B C 30 ATOM 42292 O O . HIS B 1 27 ? -10.350 -0.254 -2.376 1.00 0.00 ? 27 HIS B O 30 ATOM 42293 C CB . HIS B 1 27 ? -8.175 -2.482 -2.207 1.00 0.00 ? 27 HIS B CB 30 ATOM 42294 C CG . HIS B 1 27 ? -8.920 -3.729 -1.843 1.00 0.00 ? 27 HIS B CG 30 ATOM 42295 N ND1 . HIS B 1 27 ? -10.004 -3.736 -0.989 1.00 0.00 ? 27 HIS B ND1 30 ATOM 42296 C CD2 . HIS B 1 27 ? -8.735 -5.015 -2.223 1.00 0.00 ? 27 HIS B CD2 30 ATOM 42297 C CE1 . HIS B 1 27 ? -10.451 -4.973 -0.859 1.00 0.00 ? 27 HIS B CE1 30 ATOM 42298 N NE2 . HIS B 1 27 ? -9.698 -5.767 -1.599 1.00 0.00 ? 27 HIS B NE2 30 ATOM 42299 H H . HIS B 1 27 ? -6.846 -1.785 -4.254 1.00 0.00 ? 27 HIS B H 30 ATOM 42300 H HA . HIS B 1 27 ? -9.605 -2.312 -3.791 1.00 0.00 ? 27 HIS B HA 30 ATOM 42301 H HB2 . HIS B 1 27 ? -7.158 -2.761 -2.440 1.00 0.00 ? 27 HIS B HB2 30 ATOM 42302 H HB3 . HIS B 1 27 ? -8.176 -1.830 -1.349 1.00 0.00 ? 27 HIS B HB3 30 ATOM 42303 H HD1 . HIS B 1 27 ? -10.387 -2.952 -0.544 1.00 0.00 ? 27 HIS B HD1 30 ATOM 42304 H HD2 . HIS B 1 27 ? -7.970 -5.380 -2.894 1.00 0.00 ? 27 HIS B HD2 30 ATOM 42305 H HE1 . HIS B 1 27 ? -11.290 -5.281 -0.254 1.00 0.00 ? 27 HIS B HE1 30 ATOM 42306 H HE2 . HIS B 1 27 ? -9.812 -6.735 -1.686 1.00 0.00 ? 27 HIS B HE2 30 ATOM 42307 N N . LYS B 1 28 ? -8.507 0.671 -3.282 1.00 0.00 ? 28 LYS B N 30 ATOM 42308 C CA . LYS B 1 28 ? -8.881 2.034 -2.933 1.00 0.00 ? 28 LYS B CA 30 ATOM 42309 C C . LYS B 1 28 ? -9.943 2.557 -3.890 1.00 0.00 ? 28 LYS B C 30 ATOM 42310 O O . LYS B 1 28 ? -10.817 3.332 -3.502 1.00 0.00 ? 28 LYS B O 30 ATOM 42311 C CB . LYS B 1 28 ? -7.655 2.948 -2.959 1.00 0.00 ? 28 LYS B CB 30 ATOM 42312 C CG . LYS B 1 28 ? -7.873 4.279 -2.258 1.00 0.00 ? 28 LYS B CG 30 ATOM 42313 C CD . LYS B 1 28 ? -6.789 5.282 -2.618 1.00 0.00 ? 28 LYS B CD 30 ATOM 42314 C CE . LYS B 1 28 ? -5.418 4.810 -2.160 1.00 0.00 ? 28 LYS B CE 30 ATOM 42315 N NZ . LYS B 1 28 ? -5.101 5.281 -0.782 1.00 0.00 ? 28 LYS B NZ 30 ATOM 42316 H H . LYS B 1 28 ? -7.668 0.520 -3.762 1.00 0.00 ? 28 LYS B H 30 ATOM 42317 H HA . LYS B 1 28 ? -9.288 2.020 -1.935 1.00 0.00 ? 28 LYS B HA 30 ATOM 42318 H HB2 . LYS B 1 28 ? -6.832 2.442 -2.477 1.00 0.00 ? 28 LYS B HB2 30 ATOM 42319 H HB3 . LYS B 1 28 ? -7.390 3.146 -3.988 1.00 0.00 ? 28 LYS B HB3 30 ATOM 42320 H HG2 . LYS B 1 28 ? -8.831 4.678 -2.554 1.00 0.00 ? 28 LYS B HG2 30 ATOM 42321 H HG3 . LYS B 1 28 ? -7.860 4.118 -1.190 1.00 0.00 ? 28 LYS B HG3 30 ATOM 42322 H HD2 . LYS B 1 28 ? -6.773 5.412 -3.690 1.00 0.00 ? 28 LYS B HD2 30 ATOM 42323 H HD3 . LYS B 1 28 ? -7.013 6.225 -2.143 1.00 0.00 ? 28 LYS B HD3 30 ATOM 42324 H HE2 . LYS B 1 28 ? -5.399 3.731 -2.174 1.00 0.00 ? 28 LYS B HE2 30 ATOM 42325 H HE3 . LYS B 1 28 ? -4.673 5.192 -2.842 1.00 0.00 ? 28 LYS B HE3 30 ATOM 42326 H HZ1 . LYS B 1 28 ? -5.870 5.022 -0.131 1.00 0.00 ? 28 LYS B HZ1 30 ATOM 42327 H HZ2 . LYS B 1 28 ? -4.218 4.844 -0.450 1.00 0.00 ? 28 LYS B HZ2 30 ATOM 42328 H HZ3 . LYS B 1 28 ? -4.988 6.315 -0.775 1.00 0.00 ? 28 LYS B HZ3 30 ATOM 42329 N N . GLN B 1 29 ? -9.863 2.122 -5.142 1.00 0.00 ? 29 GLN B N 30 ATOM 42330 C CA . GLN B 1 29 ? -10.821 2.538 -6.156 1.00 0.00 ? 29 GLN B CA 30 ATOM 42331 C C . GLN B 1 29 ? -12.175 1.886 -5.909 1.00 0.00 ? 29 GLN B C 30 ATOM 42332 O O . GLN B 1 29 ? -13.219 2.515 -6.077 1.00 0.00 ? 29 GLN B O 30 ATOM 42333 C CB . GLN B 1 29 ? -10.311 2.177 -7.552 1.00 0.00 ? 29 GLN B CB 30 ATOM 42334 C CG . GLN B 1 29 ? -11.264 2.573 -8.669 1.00 0.00 ? 29 GLN B CG 30 ATOM 42335 C CD . GLN B 1 29 ? -10.853 2.007 -10.014 1.00 0.00 ? 29 GLN B CD 30 ATOM 42336 O OE1 . GLN B 1 29 ? -9.865 2.440 -10.607 1.00 0.00 ? 29 GLN B OE1 30 ATOM 42337 N NE2 . GLN B 1 29 ? -11.611 1.034 -10.504 1.00 0.00 ? 29 GLN B NE2 30 ATOM 42338 H H . GLN B 1 29 ? -9.145 1.501 -5.389 1.00 0.00 ? 29 GLN B H 30 ATOM 42339 H HA . GLN B 1 29 ? -10.932 3.610 -6.087 1.00 0.00 ? 29 GLN B HA 30 ATOM 42340 H HB2 . GLN B 1 29 ? -9.368 2.677 -7.720 1.00 0.00 ? 29 GLN B HB2 30 ATOM 42341 H HB3 . GLN B 1 29 ? -10.157 1.109 -7.602 1.00 0.00 ? 29 GLN B HB3 30 ATOM 42342 H HG2 . GLN B 1 29 ? -12.251 2.207 -8.429 1.00 0.00 ? 29 GLN B HG2 30 ATOM 42343 H HG3 . GLN B 1 29 ? -11.287 3.650 -8.739 1.00 0.00 ? 29 GLN B HG3 30 ATOM 42344 H HE21 . GLN B 1 29 ? -12.383 0.739 -9.977 1.00 0.00 ? 29 GLN B HE21 30 ATOM 42345 H HE22 . GLN B 1 29 ? -11.368 0.649 -11.372 1.00 0.00 ? 29 GLN B HE22 30 ATOM 42346 N N . SER B 1 30 ? -12.149 0.618 -5.506 1.00 0.00 ? 30 SER B N 30 ATOM 42347 C CA . SER B 1 30 ? -13.378 -0.119 -5.232 1.00 0.00 ? 30 SER B CA 30 ATOM 42348 C C . SER B 1 30 ? -14.057 0.400 -3.966 1.00 0.00 ? 30 SER B C 30 ATOM 42349 O O . SER B 1 30 ? -15.276 0.579 -3.932 1.00 0.00 ? 30 SER B O 30 ATOM 42350 C CB . SER B 1 30 ? -13.081 -1.613 -5.089 1.00 0.00 ? 30 SER B CB 30 ATOM 42351 O OG . SER B 1 30 ? -12.645 -1.923 -3.777 1.00 0.00 ? 30 SER B OG 30 ATOM 42352 H H . SER B 1 30 ? -11.282 0.168 -5.390 1.00 0.00 ? 30 SER B H 30 ATOM 42353 H HA . SER B 1 30 ? -14.045 0.028 -6.069 1.00 0.00 ? 30 SER B HA 30 ATOM 42354 H HB2 . SER B 1 30 ? -13.977 -2.178 -5.300 1.00 0.00 ? 30 SER B HB2 30 ATOM 42355 H HB3 . SER B 1 30 ? -12.307 -1.892 -5.789 1.00 0.00 ? 30 SER B HB3 30 ATOM 42356 H HG . SER B 1 30 ? -13.269 -2.526 -3.367 1.00 0.00 ? 30 SER B HG 30 ATOM 42357 N N . ILE B 1 31 ? -13.263 0.641 -2.929 1.00 0.00 ? 31 ILE B N 30 ATOM 42358 C CA . ILE B 1 31 ? -13.784 1.140 -1.660 1.00 0.00 ? 31 ILE B CA 30 ATOM 42359 C C . ILE B 1 31 ? -14.204 2.602 -1.777 1.00 0.00 ? 31 ILE B C 30 ATOM 42360 O O . ILE B 1 31 ? -15.054 3.077 -1.023 1.00 0.00 ? 31 ILE B O 30 ATOM 42361 C CB . ILE B 1 31 ? -12.739 0.995 -0.538 1.00 0.00 ? 31 ILE B CB 30 ATOM 42362 C CG1 . ILE B 1 31 ? -13.259 1.560 0.784 1.00 0.00 ? 31 ILE B CG1 30 ATOM 42363 C CG2 . ILE B 1 31 ? -11.450 1.697 -0.926 1.00 0.00 ? 31 ILE B CG2 30 ATOM 42364 C CD1 . ILE B 1 31 ? -14.296 0.689 1.450 1.00 0.00 ? 31 ILE B CD1 30 ATOM 42365 H H . ILE B 1 31 ? -12.299 0.482 -3.017 1.00 0.00 ? 31 ILE B H 30 ATOM 42366 H HA . ILE B 1 31 ? -14.649 0.547 -1.398 1.00 0.00 ? 31 ILE B HA 30 ATOM 42367 H HB . ILE B 1 31 ? -12.529 -0.058 -0.413 1.00 0.00 ? 31 ILE B HB 30 ATOM 42368 H HG12 . ILE B 1 31 ? -12.427 1.661 1.470 1.00 0.00 ? 31 ILE B HG12 30 ATOM 42369 H HG13 . ILE B 1 31 ? -13.697 2.531 0.609 1.00 0.00 ? 31 ILE B HG13 30 ATOM 42370 H HG21 . ILE B 1 31 ? -11.445 1.880 -1.990 1.00 0.00 ? 31 ILE B HG21 30 ATOM 42371 H HG22 . ILE B 1 31 ? -11.380 2.637 -0.399 1.00 0.00 ? 31 ILE B HG22 30 ATOM 42372 H HG23 . ILE B 1 31 ? -10.609 1.075 -0.663 1.00 0.00 ? 31 ILE B HG23 30 ATOM 42373 H HD11 . ILE B 1 31 ? -14.992 0.326 0.708 1.00 0.00 ? 31 ILE B HD11 30 ATOM 42374 H HD12 . ILE B 1 31 ? -13.807 -0.148 1.924 1.00 0.00 ? 31 ILE B HD12 30 ATOM 42375 H HD13 . ILE B 1 31 ? -14.828 1.265 2.192 1.00 0.00 ? 31 ILE B HD13 30 ATOM 42376 N N . LYS B 1 32 ? -13.609 3.307 -2.733 1.00 0.00 ? 32 LYS B N 30 ATOM 42377 C CA . LYS B 1 32 ? -13.927 4.711 -2.955 1.00 0.00 ? 32 LYS B CA 30 ATOM 42378 C C . LYS B 1 32 ? -15.239 4.848 -3.719 1.00 0.00 ? 32 LYS B C 30 ATOM 42379 O O . LYS B 1 32 ? -16.014 5.776 -3.484 1.00 0.00 ? 32 LYS B O 30 ATOM 42380 C CB . LYS B 1 32 ? -12.799 5.400 -3.726 1.00 0.00 ? 32 LYS B CB 30 ATOM 42381 C CG . LYS B 1 32 ? -13.052 6.876 -3.987 1.00 0.00 ? 32 LYS B CG 30 ATOM 42382 C CD . LYS B 1 32 ? -11.959 7.743 -3.387 1.00 0.00 ? 32 LYS B CD 30 ATOM 42383 C CE . LYS B 1 32 ? -10.585 7.343 -3.900 1.00 0.00 ? 32 LYS B CE 30 ATOM 42384 N NZ . LYS B 1 32 ? -9.620 7.123 -2.789 1.00 0.00 ? 32 LYS B NZ 30 ATOM 42385 H H . LYS B 1 32 ? -12.944 2.872 -3.307 1.00 0.00 ? 32 LYS B H 30 ATOM 42386 H HA . LYS B 1 32 ? -14.036 5.183 -1.991 1.00 0.00 ? 32 LYS B HA 30 ATOM 42387 H HB2 . LYS B 1 32 ? -11.884 5.309 -3.158 1.00 0.00 ? 32 LYS B HB2 30 ATOM 42388 H HB3 . LYS B 1 32 ? -12.674 4.904 -4.677 1.00 0.00 ? 32 LYS B HB3 30 ATOM 42389 H HG2 . LYS B 1 32 ? -13.085 7.041 -5.053 1.00 0.00 ? 32 LYS B HG2 30 ATOM 42390 H HG3 . LYS B 1 32 ? -14.001 7.151 -3.548 1.00 0.00 ? 32 LYS B HG3 30 ATOM 42391 H HD2 . LYS B 1 32 ? -12.144 8.773 -3.652 1.00 0.00 ? 32 LYS B HD2 30 ATOM 42392 H HD3 . LYS B 1 32 ? -11.977 7.638 -2.312 1.00 0.00 ? 32 LYS B HD3 30 ATOM 42393 H HE2 . LYS B 1 32 ? -10.680 6.429 -4.468 1.00 0.00 ? 32 LYS B HE2 30 ATOM 42394 H HE3 . LYS B 1 32 ? -10.211 8.128 -4.542 1.00 0.00 ? 32 LYS B HE3 30 ATOM 42395 H HZ1 . LYS B 1 32 ? -9.576 7.966 -2.181 1.00 0.00 ? 32 LYS B HZ1 30 ATOM 42396 H HZ2 . LYS B 1 32 ? -9.916 6.309 -2.213 1.00 0.00 ? 32 LYS B HZ2 30 ATOM 42397 H HZ3 . LYS B 1 32 ? -8.671 6.937 -3.172 1.00 0.00 ? 32 LYS B HZ3 30 ATOM 42398 N N . LYS B 1 33 ? -15.486 3.910 -4.628 1.00 0.00 ? 33 LYS B N 30 ATOM 42399 C CA . LYS B 1 33 ? -16.709 3.919 -5.421 1.00 0.00 ? 33 LYS B CA 30 ATOM 42400 C C . LYS B 1 33 ? -17.902 3.523 -4.561 1.00 0.00 ? 33 LYS B C 30 ATOM 42401 O O . LYS B 1 33 ? -19.017 4.005 -4.764 1.00 0.00 ? 33 LYS B O 30 ATOM 42402 C CB . LYS B 1 33 ? -16.580 2.964 -6.610 1.00 0.00 ? 33 LYS B CB 30 ATOM 42403 C CG . LYS B 1 33 ? -17.800 2.955 -7.517 1.00 0.00 ? 33 LYS B CG 30 ATOM 42404 C CD . LYS B 1 33 ? -17.909 1.650 -8.290 1.00 0.00 ? 33 LYS B CD 30 ATOM 42405 C CE . LYS B 1 33 ? -16.918 1.601 -9.441 1.00 0.00 ? 33 LYS B CE 30 ATOM 42406 N NZ . LYS B 1 33 ? -16.821 0.237 -10.032 1.00 0.00 ? 33 LYS B NZ 30 ATOM 42407 H H . LYS B 1 33 ? -14.833 3.191 -4.765 1.00 0.00 ? 33 LYS B H 30 ATOM 42408 H HA . LYS B 1 33 ? -16.860 4.923 -5.789 1.00 0.00 ? 33 LYS B HA 30 ATOM 42409 H HB2 . LYS B 1 33 ? -15.722 3.254 -7.198 1.00 0.00 ? 33 LYS B HB2 30 ATOM 42410 H HB3 . LYS B 1 33 ? -16.428 1.962 -6.237 1.00 0.00 ? 33 LYS B HB3 30 ATOM 42411 H HG2 . LYS B 1 33 ? -18.686 3.080 -6.914 1.00 0.00 ? 33 LYS B HG2 30 ATOM 42412 H HG3 . LYS B 1 33 ? -17.720 3.773 -8.219 1.00 0.00 ? 33 LYS B HG3 30 ATOM 42413 H HD2 . LYS B 1 33 ? -17.708 0.828 -7.619 1.00 0.00 ? 33 LYS B HD2 30 ATOM 42414 H HD3 . LYS B 1 33 ? -18.911 1.560 -8.683 1.00 0.00 ? 33 LYS B HD3 30 ATOM 42415 H HE2 . LYS B 1 33 ? -17.240 2.292 -10.206 1.00 0.00 ? 33 LYS B HE2 30 ATOM 42416 H HE3 . LYS B 1 33 ? -15.945 1.895 -9.076 1.00 0.00 ? 33 LYS B HE3 30 ATOM 42417 H HZ1 . LYS B 1 33 ? -17.735 -0.253 -9.953 1.00 0.00 ? 33 LYS B HZ1 30 ATOM 42418 H HZ2 . LYS B 1 33 ? -16.561 0.300 -11.038 1.00 0.00 ? 33 LYS B HZ2 30 ATOM 42419 H HZ3 . LYS B 1 33 ? -16.099 -0.319 -9.532 1.00 0.00 ? 33 LYS B HZ3 30 ATOM 42420 N N . LEU B 1 34 ? -17.657 2.644 -3.594 1.00 0.00 ? 34 LEU B N 30 ATOM 42421 C CA . LEU B 1 34 ? -18.707 2.184 -2.694 1.00 0.00 ? 34 LEU B CA 30 ATOM 42422 C C . LEU B 1 34 ? -19.126 3.299 -1.742 1.00 0.00 ? 34 LEU B C 30 ATOM 42423 O O . LEU B 1 34 ? -20.315 3.513 -1.506 1.00 0.00 ? 34 LEU B O 30 ATOM 42424 C CB . LEU B 1 34 ? -18.227 0.969 -1.895 1.00 0.00 ? 34 LEU B CB 30 ATOM 42425 C CG . LEU B 1 34 ? -19.323 -0.016 -1.479 1.00 0.00 ? 34 LEU B CG 30 ATOM 42426 C CD1 . LEU B 1 34 ? -20.553 0.726 -0.976 1.00 0.00 ? 34 LEU B CD1 30 ATOM 42427 C CD2 . LEU B 1 34 ? -19.687 -0.929 -2.639 1.00 0.00 ? 34 LEU B CD2 30 ATOM 42428 H H . LEU B 1 34 ? -16.746 2.300 -3.481 1.00 0.00 ? 34 LEU B H 30 ATOM 42429 H HA . LEU B 1 34 ? -19.557 1.898 -3.293 1.00 0.00 ? 34 LEU B HA 30 ATOM 42430 H HB2 . LEU B 1 34 ? -17.503 0.436 -2.494 1.00 0.00 ? 34 LEU B HB2 30 ATOM 42431 H HB3 . LEU B 1 34 ? -17.737 1.325 -1.002 1.00 0.00 ? 34 LEU B HB3 30 ATOM 42432 H HG . LEU B 1 34 ? -18.954 -0.633 -0.672 1.00 0.00 ? 34 LEU B HG 30 ATOM 42433 H HD11 . LEU B 1 34 ? -20.245 1.591 -0.410 1.00 0.00 ? 34 LEU B HD11 30 ATOM 42434 H HD12 . LEU B 1 34 ? -21.152 1.039 -1.817 1.00 0.00 ? 34 LEU B HD12 30 ATOM 42435 H HD13 . LEU B 1 34 ? -21.134 0.071 -0.345 1.00 0.00 ? 34 LEU B HD13 30 ATOM 42436 H HD21 . LEU B 1 34 ? -19.051 -0.708 -3.484 1.00 0.00 ? 34 LEU B HD21 30 ATOM 42437 H HD22 . LEU B 1 34 ? -19.548 -1.959 -2.343 1.00 0.00 ? 34 LEU B HD22 30 ATOM 42438 H HD23 . LEU B 1 34 ? -20.719 -0.769 -2.913 1.00 0.00 ? 34 LEU B HD23 30 ATOM 42439 N N . LYS B 1 35 ? -18.141 4.008 -1.199 1.00 0.00 ? 35 LYS B N 30 ATOM 42440 C CA . LYS B 1 35 ? -18.409 5.103 -0.275 1.00 0.00 ? 35 LYS B CA 30 ATOM 42441 C C . LYS B 1 35 ? -18.983 6.306 -1.015 1.00 0.00 ? 35 LYS B C 30 ATOM 42442 O O . LYS B 1 35 ? -19.709 7.115 -0.438 1.00 0.00 ? 35 LYS B O 30 ATOM 42443 C CB . LYS B 1 35 ? -17.128 5.505 0.459 1.00 0.00 ? 35 LYS B CB 30 ATOM 42444 C CG . LYS B 1 35 ? -17.305 6.701 1.380 1.00 0.00 ? 35 LYS B CG 30 ATOM 42445 C CD . LYS B 1 35 ? -15.977 7.384 1.666 1.00 0.00 ? 35 LYS B CD 30 ATOM 42446 C CE . LYS B 1 35 ? -15.150 6.598 2.669 1.00 0.00 ? 35 LYS B CE 30 ATOM 42447 N NZ . LYS B 1 35 ? -13.706 6.954 2.601 1.00 0.00 ? 35 LYS B NZ 30 ATOM 42448 H H . LYS B 1 35 ? -17.211 3.790 -1.428 1.00 0.00 ? 35 LYS B H 30 ATOM 42449 H HA . LYS B 1 35 ? -19.135 4.759 0.446 1.00 0.00 ? 35 LYS B HA 30 ATOM 42450 H HB2 . LYS B 1 35 ? -16.790 4.668 1.053 1.00 0.00 ? 35 LYS B HB2 30 ATOM 42451 H HB3 . LYS B 1 35 ? -16.369 5.748 -0.270 1.00 0.00 ? 35 LYS B HB3 30 ATOM 42452 H HG2 . LYS B 1 35 ? -17.969 7.410 0.909 1.00 0.00 ? 35 LYS B HG2 30 ATOM 42453 H HG3 . LYS B 1 35 ? -17.735 6.366 2.312 1.00 0.00 ? 35 LYS B HG3 30 ATOM 42454 H HD2 . LYS B 1 35 ? -15.421 7.469 0.744 1.00 0.00 ? 35 LYS B HD2 30 ATOM 42455 H HD3 . LYS B 1 35 ? -16.170 8.370 2.064 1.00 0.00 ? 35 LYS B HD3 30 ATOM 42456 H HE2 . LYS B 1 35 ? -15.517 6.809 3.663 1.00 0.00 ? 35 LYS B HE2 30 ATOM 42457 H HE3 . LYS B 1 35 ? -15.263 5.544 2.461 1.00 0.00 ? 35 LYS B HE3 30 ATOM 42458 H HZ1 . LYS B 1 35 ? -13.362 6.864 1.624 1.00 0.00 ? 35 LYS B HZ1 30 ATOM 42459 H HZ2 . LYS B 1 35 ? -13.565 7.935 2.917 1.00 0.00 ? 35 LYS B HZ2 30 ATOM 42460 H HZ3 . LYS B 1 35 ? -13.152 6.321 3.212 1.00 0.00 ? 35 LYS B HZ3 30 ATOM 42461 N N . GLN B 1 36 ? -18.655 6.414 -2.299 1.00 0.00 ? 36 GLN B N 30 ATOM 42462 C CA . GLN B 1 36 ? -19.140 7.517 -3.120 1.00 0.00 ? 36 GLN B CA 30 ATOM 42463 C C . GLN B 1 36 ? -20.596 7.296 -3.514 1.00 0.00 ? 36 GLN B C 30 ATOM 42464 O O . GLN B 1 36 ? -21.343 8.252 -3.728 1.00 0.00 ? 36 GLN B O 30 ATOM 42465 C CB . GLN B 1 36 ? -18.276 7.663 -4.375 1.00 0.00 ? 36 GLN B CB 30 ATOM 42466 C CG . GLN B 1 36 ? -18.360 9.039 -5.013 1.00 0.00 ? 36 GLN B CG 30 ATOM 42467 C CD . GLN B 1 36 ? -17.705 9.090 -6.379 1.00 0.00 ? 36 GLN B CD 30 ATOM 42468 O OE1 . GLN B 1 36 ? -17.283 8.065 -6.916 1.00 0.00 ? 36 GLN B OE1 30 ATOM 42469 N NE2 . GLN B 1 36 ? -17.616 10.285 -6.950 1.00 0.00 ? 36 GLN B NE2 30 ATOM 42470 H H . GLN B 1 36 ? -18.074 5.737 -2.703 1.00 0.00 ? 36 GLN B H 30 ATOM 42471 H HA . GLN B 1 36 ? -19.069 8.422 -2.537 1.00 0.00 ? 36 GLN B HA 30 ATOM 42472 H HB2 . GLN B 1 36 ? -17.246 7.474 -4.113 1.00 0.00 ? 36 GLN B HB2 30 ATOM 42473 H HB3 . GLN B 1 36 ? -18.594 6.932 -5.104 1.00 0.00 ? 36 GLN B HB3 30 ATOM 42474 H HG2 . GLN B 1 36 ? -19.399 9.311 -5.120 1.00 0.00 ? 36 GLN B HG2 30 ATOM 42475 H HG3 . GLN B 1 36 ? -17.867 9.753 -4.368 1.00 0.00 ? 36 GLN B HG3 30 ATOM 42476 H HE21 . GLN B 1 36 ? -17.973 11.059 -6.464 1.00 0.00 ? 36 GLN B HE21 30 ATOM 42477 H HE22 . GLN B 1 36 ? -17.197 10.347 -7.834 1.00 0.00 ? 36 GLN B HE22 30 ATOM 42478 N N . SER B 1 37 ? -20.994 6.032 -3.606 1.00 0.00 ? 37 SER B N 30 ATOM 42479 C CA . SER B 1 37 ? -22.362 5.687 -3.973 1.00 0.00 ? 37 SER B CA 30 ATOM 42480 C C . SER B 1 37 ? -23.327 6.013 -2.837 1.00 0.00 ? 37 SER B C 30 ATOM 42481 O O . SER B 1 37 ? -24.512 6.257 -3.065 1.00 0.00 ? 37 SER B O 30 ATOM 42482 C CB . SER B 1 37 ? -22.458 4.202 -4.328 1.00 0.00 ? 37 SER B CB 30 ATOM 42483 O OG . SER B 1 37 ? -22.887 4.025 -5.667 1.00 0.00 ? 37 SER B OG 30 ATOM 42484 H H . SER B 1 37 ? -20.352 5.314 -3.423 1.00 0.00 ? 37 SER B H 30 ATOM 42485 H HA . SER B 1 37 ? -22.632 6.273 -4.838 1.00 0.00 ? 37 SER B HA 30 ATOM 42486 H HB2 . SER B 1 37 ? -21.489 3.742 -4.211 1.00 0.00 ? 37 SER B HB2 30 ATOM 42487 H HB3 . SER B 1 37 ? -23.167 3.721 -3.669 1.00 0.00 ? 37 SER B HB3 30 ATOM 42488 H HG . SER B 1 37 ? -23.833 3.857 -5.681 1.00 0.00 ? 37 SER B HG 30 ATOM 42489 N N . GLU B 1 38 ? -22.810 6.016 -1.611 1.00 0.00 ? 38 GLU B N 30 ATOM 42490 C CA . GLU B 1 38 ? -23.625 6.313 -0.440 1.00 0.00 ? 38 GLU B CA 30 ATOM 42491 C C . GLU B 1 38 ? -23.889 7.811 -0.326 1.00 0.00 ? 38 GLU B C 30 ATOM 42492 O O . GLU B 1 38 ? -24.888 8.233 0.256 1.00 0.00 ? 38 GLU B O 30 ATOM 42493 C CB . GLU B 1 38 ? -22.936 5.807 0.829 1.00 0.00 ? 38 GLU B CB 30 ATOM 42494 C CG . GLU B 1 38 ? -23.646 6.210 2.111 1.00 0.00 ? 38 GLU B CG 30 ATOM 42495 C CD . GLU B 1 38 ? -22.895 7.278 2.882 1.00 0.00 ? 38 GLU B CD 30 ATOM 42496 O OE1 . GLU B 1 38 ? -22.915 8.449 2.447 1.00 0.00 ? 38 GLU B OE1 30 ATOM 42497 O OE2 . GLU B 1 38 ? -22.288 6.944 3.920 1.00 0.00 ? 38 GLU B OE2 30 ATOM 42498 H H . GLU B 1 38 ? -21.859 5.813 -1.493 1.00 0.00 ? 38 GLU B H 30 ATOM 42499 H HA . GLU B 1 38 ? -24.569 5.801 -0.554 1.00 0.00 ? 38 GLU B HA 30 ATOM 42500 H HB2 . GLU B 1 38 ? -22.889 4.729 0.793 1.00 0.00 ? 38 GLU B HB2 30 ATOM 42501 H HB3 . GLU B 1 38 ? -21.931 6.201 0.860 1.00 0.00 ? 38 GLU B HB3 30 ATOM 42502 H HG2 . GLU B 1 38 ? -24.625 6.591 1.859 1.00 0.00 ? 38 GLU B HG2 30 ATOM 42503 H HG3 . GLU B 1 38 ? -23.750 5.339 2.739 1.00 0.00 ? 38 GLU B HG3 30 ATOM 42504 N N . ASP B 1 39 ? -22.986 8.610 -0.886 1.00 0.00 ? 39 ASP B N 30 ATOM 42505 C CA . ASP B 1 39 ? -23.122 10.061 -0.848 1.00 0.00 ? 39 ASP B CA 30 ATOM 42506 C C . ASP B 1 39 ? -23.086 10.648 -2.255 1.00 0.00 ? 39 ASP B C 30 ATOM 42507 O O . ASP B 1 39 ? -22.699 11.800 -2.448 1.00 0.00 ? 39 ASP B O 30 ATOM 42508 C CB . ASP B 1 39 ? -22.008 10.675 0.003 1.00 0.00 ? 39 ASP B CB 30 ATOM 42509 C CG . ASP B 1 39 ? -22.547 11.528 1.134 1.00 0.00 ? 39 ASP B CG 30 ATOM 42510 O OD1 . ASP B 1 39 ? -23.584 11.152 1.719 1.00 0.00 ? 39 ASP B OD1 30 ATOM 42511 O OD2 . ASP B 1 39 ? -21.933 12.574 1.433 1.00 0.00 ? 39 ASP B OD2 30 ATOM 42512 H H . ASP B 1 39 ? -22.211 8.214 -1.336 1.00 0.00 ? 39 ASP B H 30 ATOM 42513 H HA . ASP B 1 39 ? -24.075 10.293 -0.397 1.00 0.00 ? 39 ASP B HA 30 ATOM 42514 H HB2 . ASP B 1 39 ? -21.410 9.883 0.428 1.00 0.00 ? 39 ASP B HB2 30 ATOM 42515 H HB3 . ASP B 1 39 ? -21.384 11.295 -0.626 1.00 0.00 ? 39 ASP B HB3 30 ATOM 42516 N N . ASP B 1 40 ? -23.493 9.849 -3.235 1.00 0.00 ? 40 ASP B N 30 ATOM 42517 C CA . ASP B 1 40 ? -23.508 10.289 -4.625 1.00 0.00 ? 40 ASP B CA 30 ATOM 42518 C C . ASP B 1 40 ? -22.096 10.596 -5.114 1.00 0.00 ? 40 ASP B C 30 ATOM 42519 O O . ASP B 1 40 ? -21.144 10.597 -4.332 1.00 0.00 ? 40 ASP B O 30 ATOM 42520 C CB . ASP B 1 40 ? -24.393 11.526 -4.779 1.00 0.00 ? 40 ASP B CB 30 ATOM 42521 C CG . ASP B 1 40 ? -25.655 11.443 -3.943 1.00 0.00 ? 40 ASP B CG 30 ATOM 42522 O OD1 . ASP B 1 40 ? -26.444 10.497 -4.152 1.00 0.00 ? 40 ASP B OD1 30 ATOM 42523 O OD2 . ASP B 1 40 ? -25.855 12.322 -3.080 1.00 0.00 ? 40 ASP B OD2 30 ATOM 42524 H H . ASP B 1 40 ? -23.791 8.940 -3.018 1.00 0.00 ? 40 ASP B H 30 ATOM 42525 H HA . ASP B 1 40 ? -23.916 9.488 -5.222 1.00 0.00 ? 40 ASP B HA 30 ATOM 42526 H HB2 . ASP B 1 40 ? -23.839 12.400 -4.472 1.00 0.00 ? 40 ASP B HB2 30 ATOM 42527 H HB3 . ASP B 1 40 ? -24.677 11.631 -5.817 1.00 0.00 ? 40 ASP B HB3 30 ATOM 42528 N N . ASP B 1 41 ? -21.967 10.856 -6.411 1.00 0.00 ? 41 ASP B N 30 ATOM 42529 C CA . ASP B 1 41 ? -20.671 11.165 -7.003 1.00 0.00 ? 41 ASP B CA 30 ATOM 42530 C C . ASP B 1 41 ? -20.263 12.603 -6.701 1.00 0.00 ? 41 ASP B C 30 ATOM 42531 O O . ASP B 1 41 ? -21.038 13.306 -6.019 1.00 0.00 ? 41 ASP B O 30 ATOM 42532 C CB . ASP B 1 41 ? -20.714 10.941 -8.516 1.00 0.00 ? 41 ASP B CB 30 ATOM 42533 C CG . ASP B 1 41 ? -21.592 11.953 -9.226 1.00 0.00 ? 41 ASP B CG 30 ATOM 42534 O OD1 . ASP B 1 41 ? -22.408 12.612 -8.547 1.00 0.00 ? 41 ASP B OD1 30 ATOM 42535 O OD2 . ASP B 1 41 ? -21.462 12.088 -10.461 1.00 0.00 ? 41 ASP B OD2 30 ATOM 42536 O OXT . ASP B 1 41 ? -19.172 13.014 -7.149 1.00 0.00 ? 41 ASP B OXT 30 ATOM 42537 H H . ASP B 1 41 ? -22.763 10.840 -6.982 1.00 0.00 ? 41 ASP B H 30 ATOM 42538 H HA . ASP B 1 41 ? -19.941 10.497 -6.570 1.00 0.00 ? 41 ASP B HA 30 ATOM 42539 H HB2 . ASP B 1 41 ? -19.713 11.021 -8.913 1.00 0.00 ? 41 ASP B HB2 30 ATOM 42540 H HB3 . ASP B 1 41 ? -21.099 9.953 -8.718 1.00 0.00 ? 41 ASP B HB3 30 ATOM 42541 N N . ALA A 1 1 ? -35.534 -1.763 0.033 1.00 0.00 ? 1 ALA A N 31 ATOM 42542 C CA . ALA A 1 1 ? -34.756 -2.839 0.703 1.00 0.00 ? 1 ALA A CA 31 ATOM 42543 C C . ALA A 1 1 ? -33.591 -2.259 1.497 1.00 0.00 ? 1 ALA A C 31 ATOM 42544 O O . ALA A 1 1 ? -33.197 -1.111 1.291 1.00 0.00 ? 1 ALA A O 31 ATOM 42545 C CB . ALA A 1 1 ? -34.247 -3.839 -0.325 1.00 0.00 ? 1 ALA A CB 31 ATOM 42546 H H1 . ALA A 1 1 ? -35.825 -1.083 0.763 1.00 0.00 ? 1 ALA A H1 31 ATOM 42547 H H2 . ALA A 1 1 ? -34.913 -1.317 -0.671 1.00 0.00 ? 1 ALA A H2 31 ATOM 42548 H H3 . ALA A 1 1 ? -36.360 -2.204 -0.418 1.00 0.00 ? 1 ALA A H3 31 ATOM 42549 H HA . ALA A 1 1 ? -35.415 -3.362 1.381 1.00 0.00 ? 1 ALA A HA 31 ATOM 42550 H HB1 . ALA A 1 1 ? -33.956 -3.315 -1.224 1.00 0.00 ? 1 ALA A HB1 31 ATOM 42551 H HB2 . ALA A 1 1 ? -35.030 -4.545 -0.558 1.00 0.00 ? 1 ALA A HB2 31 ATOM 42552 H HB3 . ALA A 1 1 ? -33.395 -4.365 0.077 1.00 0.00 ? 1 ALA A HB3 31 ATOM 42553 N N . LEU A 1 2 ? -33.044 -3.060 2.406 1.00 0.00 ? 2 LEU A N 31 ATOM 42554 C CA . LEU A 1 2 ? -31.924 -2.625 3.231 1.00 0.00 ? 2 LEU A CA 31 ATOM 42555 C C . LEU A 1 2 ? -30.662 -3.414 2.895 1.00 0.00 ? 2 LEU A C 31 ATOM 42556 O O . LEU A 1 2 ? -30.656 -4.644 2.943 1.00 0.00 ? 2 LEU A O 31 ATOM 42557 C CB . LEU A 1 2 ? -32.262 -2.790 4.715 1.00 0.00 ? 2 LEU A CB 31 ATOM 42558 C CG . LEU A 1 2 ? -31.859 -1.613 5.605 1.00 0.00 ? 2 LEU A CG 31 ATOM 42559 C CD1 . LEU A 1 2 ? -32.669 -0.375 5.252 1.00 0.00 ? 2 LEU A CD1 31 ATOM 42560 C CD2 . LEU A 1 2 ? -32.040 -1.971 7.072 1.00 0.00 ? 2 LEU A CD2 31 ATOM 42561 H H . LEU A 1 2 ? -33.403 -3.964 2.523 1.00 0.00 ? 2 LEU A H 31 ATOM 42562 H HA . LEU A 1 2 ? -31.746 -1.580 3.025 1.00 0.00 ? 2 LEU A HA 31 ATOM 42563 H HB2 . LEU A 1 2 ? -33.329 -2.934 4.804 1.00 0.00 ? 2 LEU A HB2 31 ATOM 42564 H HB3 . LEU A 1 2 ? -31.764 -3.675 5.080 1.00 0.00 ? 2 LEU A HB3 31 ATOM 42565 H HG . LEU A 1 2 ? -30.815 -1.387 5.441 1.00 0.00 ? 2 LEU A HG 31 ATOM 42566 H HD11 . LEU A 1 2 ? -33.142 -0.516 4.292 1.00 0.00 ? 2 LEU A HD11 31 ATOM 42567 H HD12 . LEU A 1 2 ? -33.426 -0.213 6.006 1.00 0.00 ? 2 LEU A HD12 31 ATOM 42568 H HD13 . LEU A 1 2 ? -32.015 0.483 5.208 1.00 0.00 ? 2 LEU A HD13 31 ATOM 42569 H HD21 . LEU A 1 2 ? -32.535 -2.927 7.152 1.00 0.00 ? 2 LEU A HD21 31 ATOM 42570 H HD22 . LEU A 1 2 ? -31.073 -2.024 7.551 1.00 0.00 ? 2 LEU A HD22 31 ATOM 42571 H HD23 . LEU A 1 2 ? -32.639 -1.214 7.556 1.00 0.00 ? 2 LEU A HD23 31 ATOM 42572 N N . LYS A 1 3 ? -29.596 -2.698 2.557 1.00 0.00 ? 3 LYS A N 31 ATOM 42573 C CA . LYS A 1 3 ? -28.327 -3.331 2.212 1.00 0.00 ? 3 LYS A CA 31 ATOM 42574 C C . LYS A 1 3 ? -27.412 -3.413 3.429 1.00 0.00 ? 3 LYS A C 31 ATOM 42575 O O . LYS A 1 3 ? -26.949 -2.393 3.941 1.00 0.00 ? 3 LYS A O 31 ATOM 42576 C CB . LYS A 1 3 ? -27.635 -2.557 1.090 1.00 0.00 ? 3 LYS A CB 31 ATOM 42577 C CG . LYS A 1 3 ? -27.753 -3.222 -0.272 1.00 0.00 ? 3 LYS A CG 31 ATOM 42578 C CD . LYS A 1 3 ? -29.153 -3.072 -0.845 1.00 0.00 ? 3 LYS A CD 31 ATOM 42579 C CE . LYS A 1 3 ? -29.592 -4.329 -1.578 1.00 0.00 ? 3 LYS A CE 31 ATOM 42580 N NZ . LYS A 1 3 ? -30.208 -5.323 -0.656 1.00 0.00 ? 3 LYS A NZ 31 ATOM 42581 H H . LYS A 1 3 ? -29.662 -1.721 2.537 1.00 0.00 ? 3 LYS A H 31 ATOM 42582 H HA . LYS A 1 3 ? -28.540 -4.332 1.869 1.00 0.00 ? 3 LYS A HA 31 ATOM 42583 H HB2 . LYS A 1 3 ? -28.073 -1.571 1.024 1.00 0.00 ? 3 LYS A HB2 31 ATOM 42584 H HB3 . LYS A 1 3 ? -26.586 -2.460 1.329 1.00 0.00 ? 3 LYS A HB3 31 ATOM 42585 H HG2 . LYS A 1 3 ? -27.047 -2.765 -0.948 1.00 0.00 ? 3 LYS A HG2 31 ATOM 42586 H HG3 . LYS A 1 3 ? -27.527 -4.274 -0.168 1.00 0.00 ? 3 LYS A HG3 31 ATOM 42587 H HD2 . LYS A 1 3 ? -29.843 -2.878 -0.038 1.00 0.00 ? 3 LYS A HD2 31 ATOM 42588 H HD3 . LYS A 1 3 ? -29.161 -2.242 -1.535 1.00 0.00 ? 3 LYS A HD3 31 ATOM 42589 H HE2 . LYS A 1 3 ? -30.314 -4.056 -2.333 1.00 0.00 ? 3 LYS A HE2 31 ATOM 42590 H HE3 . LYS A 1 3 ? -28.729 -4.775 -2.051 1.00 0.00 ? 3 LYS A HE3 31 ATOM 42591 H HZ1 . LYS A 1 3 ? -29.776 -5.251 0.287 1.00 0.00 ? 3 LYS A HZ1 31 ATOM 42592 H HZ2 . LYS A 1 3 ? -31.229 -5.148 -0.572 1.00 0.00 ? 3 LYS A HZ2 31 ATOM 42593 H HZ3 . LYS A 1 3 ? -30.062 -6.287 -1.020 1.00 0.00 ? 3 LYS A HZ3 31 ATOM 42594 N N . LYS A 1 4 ? -27.156 -4.633 3.889 1.00 0.00 ? 4 LYS A N 31 ATOM 42595 C CA . LYS A 1 4 ? -26.295 -4.848 5.047 1.00 0.00 ? 4 LYS A CA 31 ATOM 42596 C C . LYS A 1 4 ? -24.990 -5.521 4.636 1.00 0.00 ? 4 LYS A C 31 ATOM 42597 O O . LYS A 1 4 ? -23.904 -5.068 5.001 1.00 0.00 ? 4 LYS A O 31 ATOM 42598 C CB . LYS A 1 4 ? -27.016 -5.701 6.092 1.00 0.00 ? 4 LYS A CB 31 ATOM 42599 C CG . LYS A 1 4 ? -26.850 -5.190 7.513 1.00 0.00 ? 4 LYS A CG 31 ATOM 42600 C CD . LYS A 1 4 ? -27.184 -6.267 8.534 1.00 0.00 ? 4 LYS A CD 31 ATOM 42601 C CE . LYS A 1 4 ? -27.195 -5.708 9.949 1.00 0.00 ? 4 LYS A CE 31 ATOM 42602 N NZ . LYS A 1 4 ? -26.967 -6.771 10.967 1.00 0.00 ? 4 LYS A NZ 31 ATOM 42603 H H . LYS A 1 4 ? -27.553 -5.407 3.439 1.00 0.00 ? 4 LYS A H 31 ATOM 42604 H HA . LYS A 1 4 ? -26.069 -3.884 5.476 1.00 0.00 ? 4 LYS A HA 31 ATOM 42605 H HB2 . LYS A 1 4 ? -28.070 -5.721 5.860 1.00 0.00 ? 4 LYS A HB2 31 ATOM 42606 H HB3 . LYS A 1 4 ? -26.628 -6.708 6.047 1.00 0.00 ? 4 LYS A HB3 31 ATOM 42607 H HG2 . LYS A 1 4 ? -25.827 -4.877 7.657 1.00 0.00 ? 4 LYS A HG2 31 ATOM 42608 H HG3 . LYS A 1 4 ? -27.511 -4.349 7.662 1.00 0.00 ? 4 LYS A HG3 31 ATOM 42609 H HD2 . LYS A 1 4 ? -28.159 -6.671 8.311 1.00 0.00 ? 4 LYS A HD2 31 ATOM 42610 H HD3 . LYS A 1 4 ? -26.444 -7.050 8.471 1.00 0.00 ? 4 LYS A HD3 31 ATOM 42611 H HE2 . LYS A 1 4 ? -26.414 -4.966 10.036 1.00 0.00 ? 4 LYS A HE2 31 ATOM 42612 H HE3 . LYS A 1 4 ? -28.153 -5.246 10.131 1.00 0.00 ? 4 LYS A HE3 31 ATOM 42613 H HZ1 . LYS A 1 4 ? -26.135 -7.341 10.709 1.00 0.00 ? 4 LYS A HZ1 31 ATOM 42614 H HZ2 . LYS A 1 4 ? -26.805 -6.342 11.900 1.00 0.00 ? 4 LYS A HZ2 31 ATOM 42615 H HZ3 . LYS A 1 4 ? -27.796 -7.395 11.023 1.00 0.00 ? 4 LYS A HZ3 31 ATOM 42616 N N . HIS A 1 5 ? -25.102 -6.606 3.876 1.00 0.00 ? 5 HIS A N 31 ATOM 42617 C CA . HIS A 1 5 ? -23.931 -7.341 3.416 1.00 0.00 ? 5 HIS A CA 31 ATOM 42618 C C . HIS A 1 5 ? -23.014 -6.445 2.591 1.00 0.00 ? 5 HIS A C 31 ATOM 42619 O O . HIS A 1 5 ? -21.801 -6.650 2.550 1.00 0.00 ? 5 HIS A O 31 ATOM 42620 C CB . HIS A 1 5 ? -24.358 -8.554 2.587 1.00 0.00 ? 5 HIS A CB 31 ATOM 42621 C CG . HIS A 1 5 ? -25.450 -8.254 1.608 1.00 0.00 ? 5 HIS A CG 31 ATOM 42622 N ND1 . HIS A 1 5 ? -26.776 -8.552 1.845 1.00 0.00 ? 5 HIS A ND1 31 ATOM 42623 C CD2 . HIS A 1 5 ? -25.409 -7.679 0.383 1.00 0.00 ? 5 HIS A CD2 31 ATOM 42624 C CE1 . HIS A 1 5 ? -27.503 -8.172 0.808 1.00 0.00 ? 5 HIS A CE1 31 ATOM 42625 N NE2 . HIS A 1 5 ? -26.696 -7.640 -0.092 1.00 0.00 ? 5 HIS A NE2 31 ATOM 42626 H H . HIS A 1 5 ? -25.995 -6.918 3.619 1.00 0.00 ? 5 HIS A H 31 ATOM 42627 H HA . HIS A 1 5 ? -23.391 -7.684 4.287 1.00 0.00 ? 5 HIS A HA 31 ATOM 42628 H HB2 . HIS A 1 5 ? -23.507 -8.920 2.032 1.00 0.00 ? 5 HIS A HB2 31 ATOM 42629 H HB3 . HIS A 1 5 ? -24.709 -9.330 3.251 1.00 0.00 ? 5 HIS A HB3 31 ATOM 42630 H HD1 . HIS A 1 5 ? -27.132 -8.977 2.653 1.00 0.00 ? 5 HIS A HD1 31 ATOM 42631 H HD2 . HIS A 1 5 ? -24.527 -7.317 -0.127 1.00 0.00 ? 5 HIS A HD2 31 ATOM 42632 H HE1 . HIS A 1 5 ? -28.573 -8.280 0.714 1.00 0.00 ? 5 HIS A HE1 31 ATOM 42633 H HE2 . HIS A 1 5 ? -26.976 -7.277 -0.957 1.00 0.00 ? 5 HIS A HE2 31 ATOM 42634 N N . HIS A 1 6 ? -23.601 -5.450 1.935 1.00 0.00 ? 6 HIS A N 31 ATOM 42635 C CA . HIS A 1 6 ? -22.838 -4.521 1.110 1.00 0.00 ? 6 HIS A CA 31 ATOM 42636 C C . HIS A 1 6 ? -21.966 -3.615 1.974 1.00 0.00 ? 6 HIS A C 31 ATOM 42637 O O . HIS A 1 6 ? -20.804 -3.370 1.653 1.00 0.00 ? 6 HIS A O 31 ATOM 42638 C CB . HIS A 1 6 ? -23.779 -3.675 0.251 1.00 0.00 ? 6 HIS A CB 31 ATOM 42639 C CG . HIS A 1 6 ? -23.631 -3.920 -1.218 1.00 0.00 ? 6 HIS A CG 31 ATOM 42640 N ND1 . HIS A 1 6 ? -23.218 -5.128 -1.742 1.00 0.00 ? 6 HIS A ND1 31 ATOM 42641 C CD2 . HIS A 1 6 ? -23.845 -3.105 -2.279 1.00 0.00 ? 6 HIS A CD2 31 ATOM 42642 C CE1 . HIS A 1 6 ? -23.182 -5.044 -3.061 1.00 0.00 ? 6 HIS A CE1 31 ATOM 42643 N NE2 . HIS A 1 6 ? -23.558 -3.828 -3.410 1.00 0.00 ? 6 HIS A NE2 31 ATOM 42644 H H . HIS A 1 6 ? -24.572 -5.338 2.007 1.00 0.00 ? 6 HIS A H 31 ATOM 42645 H HA . HIS A 1 6 ? -22.198 -5.102 0.463 1.00 0.00 ? 6 HIS A HA 31 ATOM 42646 H HB2 . HIS A 1 6 ? -24.800 -3.897 0.523 1.00 0.00 ? 6 HIS A HB2 31 ATOM 42647 H HB3 . HIS A 1 6 ? -23.581 -2.629 0.437 1.00 0.00 ? 6 HIS A HB3 31 ATOM 42648 H HD1 . HIS A 1 6 ? -22.984 -5.926 -1.225 1.00 0.00 ? 6 HIS A HD1 31 ATOM 42649 H HD2 . HIS A 1 6 ? -24.178 -2.077 -2.241 1.00 0.00 ? 6 HIS A HD2 31 ATOM 42650 H HE1 . HIS A 1 6 ? -22.896 -5.836 -3.737 1.00 0.00 ? 6 HIS A HE1 31 ATOM 42651 H HE2 . HIS A 1 6 ? -23.623 -3.497 -4.330 1.00 0.00 ? 6 HIS A HE2 31 ATOM 42652 N N . GLU A 1 7 ? -22.533 -3.122 3.070 1.00 0.00 ? 7 GLU A N 31 ATOM 42653 C CA . GLU A 1 7 ? -21.802 -2.244 3.976 1.00 0.00 ? 7 GLU A CA 31 ATOM 42654 C C . GLU A 1 7 ? -20.657 -2.993 4.648 1.00 0.00 ? 7 GLU A C 31 ATOM 42655 O O . GLU A 1 7 ? -19.624 -2.408 4.972 1.00 0.00 ? 7 GLU A O 31 ATOM 42656 C CB . GLU A 1 7 ? -22.744 -1.667 5.035 1.00 0.00 ? 7 GLU A CB 31 ATOM 42657 C CG . GLU A 1 7 ? -23.788 -0.720 4.468 1.00 0.00 ? 7 GLU A CG 31 ATOM 42658 C CD . GLU A 1 7 ? -23.458 0.736 4.730 1.00 0.00 ? 7 GLU A CD 31 ATOM 42659 O OE1 . GLU A 1 7 ? -22.274 1.109 4.597 1.00 0.00 ? 7 GLU A OE1 31 ATOM 42660 O OE2 . GLU A 1 7 ? -24.384 1.504 5.067 1.00 0.00 ? 7 GLU A OE2 31 ATOM 42661 H H . GLU A 1 7 ? -23.463 -3.354 3.274 1.00 0.00 ? 7 GLU A H 31 ATOM 42662 H HA . GLU A 1 7 ? -21.389 -1.436 3.392 1.00 0.00 ? 7 GLU A HA 31 ATOM 42663 H HB2 . GLU A 1 7 ? -23.256 -2.480 5.527 1.00 0.00 ? 7 GLU A HB2 31 ATOM 42664 H HB3 . GLU A 1 7 ? -22.158 -1.128 5.765 1.00 0.00 ? 7 GLU A HB3 31 ATOM 42665 H HG2 . GLU A 1 7 ? -23.852 -0.872 3.401 1.00 0.00 ? 7 GLU A HG2 31 ATOM 42666 H HG3 . GLU A 1 7 ? -24.742 -0.944 4.920 1.00 0.00 ? 7 GLU A HG3 31 ATOM 42667 N N . ASN A 1 8 ? -20.845 -4.293 4.849 1.00 0.00 ? 8 ASN A N 31 ATOM 42668 C CA . ASN A 1 8 ? -19.822 -5.121 5.475 1.00 0.00 ? 8 ASN A CA 31 ATOM 42669 C C . ASN A 1 8 ? -18.626 -5.278 4.543 1.00 0.00 ? 8 ASN A C 31 ATOM 42670 O O . ASN A 1 8 ? -17.475 -5.131 4.960 1.00 0.00 ? 8 ASN A O 31 ATOM 42671 C CB . ASN A 1 8 ? -20.393 -6.495 5.830 1.00 0.00 ? 8 ASN A CB 31 ATOM 42672 C CG . ASN A 1 8 ? -19.672 -7.134 7.001 1.00 0.00 ? 8 ASN A CG 31 ATOM 42673 O OD1 . ASN A 1 8 ? -19.252 -6.451 7.934 1.00 0.00 ? 8 ASN A OD1 31 ATOM 42674 N ND2 . ASN A 1 8 ? -19.526 -8.454 6.956 1.00 0.00 ? 8 ASN A ND2 31 ATOM 42675 H H . ASN A 1 8 ? -21.687 -4.705 4.565 1.00 0.00 ? 8 ASN A H 31 ATOM 42676 H HA . ASN A 1 8 ? -19.501 -4.627 6.378 1.00 0.00 ? 8 ASN A HA 31 ATOM 42677 H HB2 . ASN A 1 8 ? -21.436 -6.389 6.088 1.00 0.00 ? 8 ASN A HB2 31 ATOM 42678 H HB3 . ASN A 1 8 ? -20.302 -7.148 4.974 1.00 0.00 ? 8 ASN A HB3 31 ATOM 42679 H HD21 . ASN A 1 8 ? -19.886 -8.934 6.181 1.00 0.00 ? 8 ASN A HD21 31 ATOM 42680 H HD22 . ASN A 1 8 ? -19.064 -8.893 7.700 1.00 0.00 ? 8 ASN A HD22 31 ATOM 42681 N N . GLU A 1 9 ? -18.908 -5.568 3.277 1.00 0.00 ? 9 GLU A N 31 ATOM 42682 C CA . GLU A 1 9 ? -17.858 -5.736 2.284 1.00 0.00 ? 9 GLU A CA 31 ATOM 42683 C C . GLU A 1 9 ? -17.028 -4.468 2.162 1.00 0.00 ? 9 GLU A C 31 ATOM 42684 O O . GLU A 1 9 ? -15.798 -4.523 2.126 1.00 0.00 ? 9 GLU A O 31 ATOM 42685 C CB . GLU A 1 9 ? -18.459 -6.104 0.925 1.00 0.00 ? 9 GLU A CB 31 ATOM 42686 C CG . GLU A 1 9 ? -17.740 -7.247 0.231 1.00 0.00 ? 9 GLU A CG 31 ATOM 42687 C CD . GLU A 1 9 ? -18.683 -8.136 -0.556 1.00 0.00 ? 9 GLU A CD 31 ATOM 42688 O OE1 . GLU A 1 9 ? -19.560 -7.594 -1.262 1.00 0.00 ? 9 GLU A OE1 31 ATOM 42689 O OE2 . GLU A 1 9 ? -18.545 -9.374 -0.468 1.00 0.00 ? 9 GLU A OE2 31 ATOM 42690 H H . GLU A 1 9 ? -19.845 -5.666 3.006 1.00 0.00 ? 9 GLU A H 31 ATOM 42691 H HA . GLU A 1 9 ? -17.214 -6.537 2.613 1.00 0.00 ? 9 GLU A HA 31 ATOM 42692 H HB2 . GLU A 1 9 ? -19.492 -6.389 1.068 1.00 0.00 ? 9 GLU A HB2 31 ATOM 42693 H HB3 . GLU A 1 9 ? -18.420 -5.237 0.282 1.00 0.00 ? 9 GLU A HB3 31 ATOM 42694 H HG2 . GLU A 1 9 ? -17.009 -6.835 -0.449 1.00 0.00 ? 9 GLU A HG2 31 ATOM 42695 H HG3 . GLU A 1 9 ? -17.241 -7.847 0.976 1.00 0.00 ? 9 GLU A HG3 31 ATOM 42696 N N . ILE A 1 10 ? -17.699 -3.322 2.111 1.00 0.00 ? 10 ILE A N 31 ATOM 42697 C CA . ILE A 1 10 ? -17.000 -2.054 2.008 1.00 0.00 ? 10 ILE A CA 31 ATOM 42698 C C . ILE A 1 10 ? -16.277 -1.736 3.310 1.00 0.00 ? 10 ILE A C 31 ATOM 42699 O O . ILE A 1 10 ? -15.317 -0.978 3.324 1.00 0.00 ? 10 ILE A O 31 ATOM 42700 C CB . ILE A 1 10 ? -17.942 -0.896 1.628 1.00 0.00 ? 10 ILE A CB 31 ATOM 42701 C CG1 . ILE A 1 10 ? -18.885 -0.547 2.777 1.00 0.00 ? 10 ILE A CG1 31 ATOM 42702 C CG2 . ILE A 1 10 ? -18.739 -1.254 0.387 1.00 0.00 ? 10 ILE A CG2 31 ATOM 42703 C CD1 . ILE A 1 10 ? -19.841 0.574 2.433 1.00 0.00 ? 10 ILE A CD1 31 ATOM 42704 H H . ILE A 1 10 ? -18.679 -3.331 2.152 1.00 0.00 ? 10 ILE A H 31 ATOM 42705 H HA . ILE A 1 10 ? -16.262 -2.154 1.225 1.00 0.00 ? 10 ILE A HA 31 ATOM 42706 H HB . ILE A 1 10 ? -17.335 -0.033 1.397 1.00 0.00 ? 10 ILE A HB 31 ATOM 42707 H HG12 . ILE A 1 10 ? -19.471 -1.417 3.033 1.00 0.00 ? 10 ILE A HG12 31 ATOM 42708 H HG13 . ILE A 1 10 ? -18.304 -0.240 3.634 1.00 0.00 ? 10 ILE A HG13 31 ATOM 42709 H HG21 . ILE A 1 10 ? -18.061 -1.493 -0.419 1.00 0.00 ? 10 ILE A HG21 31 ATOM 42710 H HG22 . ILE A 1 10 ? -19.366 -2.107 0.595 1.00 0.00 ? 10 ILE A HG22 31 ATOM 42711 H HG23 . ILE A 1 10 ? -19.355 -0.414 0.102 1.00 0.00 ? 10 ILE A HG23 31 ATOM 42712 H HD11 . ILE A 1 10 ? -19.645 0.917 1.425 1.00 0.00 ? 10 ILE A HD11 31 ATOM 42713 H HD12 . ILE A 1 10 ? -20.857 0.216 2.501 1.00 0.00 ? 10 ILE A HD12 31 ATOM 42714 H HD13 . ILE A 1 10 ? -19.700 1.393 3.124 1.00 0.00 ? 10 ILE A HD13 31 ATOM 42715 N N . SER A 1 11 ? -16.720 -2.340 4.404 1.00 0.00 ? 11 SER A N 31 ATOM 42716 C CA . SER A 1 11 ? -16.072 -2.121 5.686 1.00 0.00 ? 11 SER A CA 31 ATOM 42717 C C . SER A 1 11 ? -14.660 -2.690 5.643 1.00 0.00 ? 11 SER A C 31 ATOM 42718 O O . SER A 1 11 ? -13.709 -2.084 6.146 1.00 0.00 ? 11 SER A O 31 ATOM 42719 C CB . SER A 1 11 ? -16.873 -2.774 6.814 1.00 0.00 ? 11 SER A CB 31 ATOM 42720 O OG . SER A 1 11 ? -16.604 -2.150 8.058 1.00 0.00 ? 11 SER A OG 31 ATOM 42721 H H . SER A 1 11 ? -17.480 -2.956 4.345 1.00 0.00 ? 11 SER A H 31 ATOM 42722 H HA . SER A 1 11 ? -16.015 -1.056 5.856 1.00 0.00 ? 11 SER A HA 31 ATOM 42723 H HB2 . SER A 1 11 ? -17.928 -2.685 6.603 1.00 0.00 ? 11 SER A HB2 31 ATOM 42724 H HB3 . SER A 1 11 ? -16.607 -3.818 6.884 1.00 0.00 ? 11 SER A HB3 31 ATOM 42725 H HG . SER A 1 11 ? -16.873 -1.229 8.020 1.00 0.00 ? 11 SER A HG 31 ATOM 42726 N N . HIS A 1 12 ? -14.529 -3.856 5.015 1.00 0.00 ? 12 HIS A N 31 ATOM 42727 C CA . HIS A 1 12 ? -13.237 -4.508 4.882 1.00 0.00 ? 12 HIS A CA 31 ATOM 42728 C C . HIS A 1 12 ? -12.372 -3.749 3.869 1.00 0.00 ? 12 HIS A C 31 ATOM 42729 O O . HIS A 1 12 ? -11.151 -3.680 4.014 1.00 0.00 ? 12 HIS A O 31 ATOM 42730 C CB . HIS A 1 12 ? -13.442 -5.991 4.495 1.00 0.00 ? 12 HIS A CB 31 ATOM 42731 C CG . HIS A 1 12 ? -12.535 -6.517 3.417 1.00 0.00 ? 12 HIS A CG 31 ATOM 42732 N ND1 . HIS A 1 12 ? -11.309 -7.094 3.673 1.00 0.00 ? 12 HIS A ND1 31 ATOM 42733 C CD2 . HIS A 1 12 ? -12.692 -6.549 2.074 1.00 0.00 ? 12 HIS A CD2 31 ATOM 42734 C CE1 . HIS A 1 12 ? -10.749 -7.456 2.532 1.00 0.00 ? 12 HIS A CE1 31 ATOM 42735 N NE2 . HIS A 1 12 ? -11.569 -7.137 1.548 1.00 0.00 ? 12 HIS A NE2 31 ATOM 42736 H H . HIS A 1 12 ? -15.324 -4.284 4.619 1.00 0.00 ? 12 HIS A H 31 ATOM 42737 H HA . HIS A 1 12 ? -12.751 -4.462 5.846 1.00 0.00 ? 12 HIS A HA 31 ATOM 42738 H HB2 . HIS A 1 12 ? -13.286 -6.601 5.371 1.00 0.00 ? 12 HIS A HB2 31 ATOM 42739 H HB3 . HIS A 1 12 ? -14.461 -6.121 4.159 1.00 0.00 ? 12 HIS A HB3 31 ATOM 42740 H HD1 . HIS A 1 12 ? -10.909 -7.218 4.559 1.00 0.00 ? 12 HIS A HD1 31 ATOM 42741 H HD2 . HIS A 1 12 ? -13.544 -6.179 1.521 1.00 0.00 ? 12 HIS A HD2 31 ATOM 42742 H HE1 . HIS A 1 12 ? -9.786 -7.934 2.424 1.00 0.00 ? 12 HIS A HE1 31 ATOM 42743 H HE2 . HIS A 1 12 ? -11.400 -7.296 0.596 1.00 0.00 ? 12 HIS A HE2 31 ATOM 42744 N N . HIS A 1 13 ? -13.012 -3.175 2.850 1.00 0.00 ? 13 HIS A N 31 ATOM 42745 C CA . HIS A 1 13 ? -12.289 -2.422 1.833 1.00 0.00 ? 13 HIS A CA 31 ATOM 42746 C C . HIS A 1 13 ? -11.682 -1.160 2.425 1.00 0.00 ? 13 HIS A C 31 ATOM 42747 O O . HIS A 1 13 ? -10.630 -0.711 1.986 1.00 0.00 ? 13 HIS A O 31 ATOM 42748 C CB . HIS A 1 13 ? -13.208 -2.036 0.680 1.00 0.00 ? 13 HIS A CB 31 ATOM 42749 C CG . HIS A 1 13 ? -13.904 -3.189 0.041 1.00 0.00 ? 13 HIS A CG 31 ATOM 42750 N ND1 . HIS A 1 13 ? -13.390 -4.468 0.011 1.00 0.00 ? 13 HIS A ND1 31 ATOM 42751 C CD2 . HIS A 1 13 ? -15.086 -3.243 -0.601 1.00 0.00 ? 13 HIS A CD2 31 ATOM 42752 C CE1 . HIS A 1 13 ? -14.233 -5.262 -0.628 1.00 0.00 ? 13 HIS A CE1 31 ATOM 42753 N NE2 . HIS A 1 13 ? -15.272 -4.540 -1.008 1.00 0.00 ? 13 HIS A NE2 31 ATOM 42754 H H . HIS A 1 13 ? -13.987 -3.257 2.784 1.00 0.00 ? 13 HIS A H 31 ATOM 42755 H HA . HIS A 1 13 ? -11.495 -3.048 1.456 1.00 0.00 ? 13 HIS A HA 31 ATOM 42756 H HB2 . HIS A 1 13 ? -13.965 -1.359 1.045 1.00 0.00 ? 13 HIS A HB2 31 ATOM 42757 H HB3 . HIS A 1 13 ? -12.626 -1.536 -0.081 1.00 0.00 ? 13 HIS A HB3 31 ATOM 42758 H HD1 . HIS A 1 13 ? -12.535 -4.753 0.398 1.00 0.00 ? 13 HIS A HD1 31 ATOM 42759 H HD2 . HIS A 1 13 ? -15.758 -2.413 -0.759 1.00 0.00 ? 13 HIS A HD2 31 ATOM 42760 H HE1 . HIS A 1 13 ? -14.097 -6.318 -0.807 1.00 0.00 ? 13 HIS A HE1 31 ATOM 42761 H HE2 . HIS A 1 13 ? -16.048 -4.880 -1.502 1.00 0.00 ? 13 HIS A HE2 31 ATOM 42762 N N . ALA A 1 14 ? -12.352 -0.588 3.420 1.00 0.00 ? 14 ALA A N 31 ATOM 42763 C CA . ALA A 1 14 ? -11.865 0.623 4.063 1.00 0.00 ? 14 ALA A CA 31 ATOM 42764 C C . ALA A 1 14 ? -10.614 0.317 4.866 1.00 0.00 ? 14 ALA A C 31 ATOM 42765 O O . ALA A 1 14 ? -9.576 0.951 4.683 1.00 0.00 ? 14 ALA A O 31 ATOM 42766 C CB . ALA A 1 14 ? -12.941 1.229 4.951 1.00 0.00 ? 14 ALA A CB 31 ATOM 42767 H H . ALA A 1 14 ? -13.190 -0.993 3.730 1.00 0.00 ? 14 ALA A H 31 ATOM 42768 H HA . ALA A 1 14 ? -11.617 1.338 3.287 1.00 0.00 ? 14 ALA A HA 31 ATOM 42769 H HB1 . ALA A 1 14 ? -12.529 1.432 5.928 1.00 0.00 ? 14 ALA A HB1 31 ATOM 42770 H HB2 . ALA A 1 14 ? -13.764 0.535 5.044 1.00 0.00 ? 14 ALA A HB2 31 ATOM 42771 H HB3 . ALA A 1 14 ? -13.295 2.150 4.511 1.00 0.00 ? 14 ALA A HB3 31 ATOM 42772 N N . LYS A 1 15 ? -10.712 -0.676 5.740 1.00 0.00 ? 15 LYS A N 31 ATOM 42773 C CA . LYS A 1 15 ? -9.569 -1.077 6.546 1.00 0.00 ? 15 LYS A CA 31 ATOM 42774 C C . LYS A 1 15 ? -8.470 -1.657 5.656 1.00 0.00 ? 15 LYS A C 31 ATOM 42775 O O . LYS A 1 15 ? -7.324 -1.794 6.082 1.00 0.00 ? 15 LYS A O 31 ATOM 42776 C CB . LYS A 1 15 ? -9.990 -2.102 7.600 1.00 0.00 ? 15 LYS A CB 31 ATOM 42777 C CG . LYS A 1 15 ? -10.153 -1.514 8.991 1.00 0.00 ? 15 LYS A CG 31 ATOM 42778 C CD . LYS A 1 15 ? -8.977 -1.865 9.886 1.00 0.00 ? 15 LYS A CD 31 ATOM 42779 C CE . LYS A 1 15 ? -9.064 -1.153 11.227 1.00 0.00 ? 15 LYS A CE 31 ATOM 42780 N NZ . LYS A 1 15 ? -8.311 -1.875 12.290 1.00 0.00 ? 15 LYS A NZ 31 ATOM 42781 H H . LYS A 1 15 ? -11.562 -1.161 5.831 1.00 0.00 ? 15 LYS A H 31 ATOM 42782 H HA . LYS A 1 15 ? -9.187 -0.196 7.040 1.00 0.00 ? 15 LYS A HA 31 ATOM 42783 H HB2 . LYS A 1 15 ? -10.932 -2.540 7.304 1.00 0.00 ? 15 LYS A HB2 31 ATOM 42784 H HB3 . LYS A 1 15 ? -9.242 -2.881 7.647 1.00 0.00 ? 15 LYS A HB3 31 ATOM 42785 H HG2 . LYS A 1 15 ? -10.222 -0.439 8.911 1.00 0.00 ? 15 LYS A HG2 31 ATOM 42786 H HG3 . LYS A 1 15 ? -11.059 -1.903 9.433 1.00 0.00 ? 15 LYS A HG3 31 ATOM 42787 H HD2 . LYS A 1 15 ? -8.971 -2.932 10.056 1.00 0.00 ? 15 LYS A HD2 31 ATOM 42788 H HD3 . LYS A 1 15 ? -8.061 -1.573 9.393 1.00 0.00 ? 15 LYS A HD3 31 ATOM 42789 H HE2 . LYS A 1 15 ? -8.655 -0.160 11.120 1.00 0.00 ? 15 LYS A HE2 31 ATOM 42790 H HE3 . LYS A 1 15 ? -10.102 -1.085 11.516 1.00 0.00 ? 15 LYS A HE3 31 ATOM 42791 H HZ1 . LYS A 1 15 ? -8.019 -2.813 11.947 1.00 0.00 ? 15 LYS A HZ1 31 ATOM 42792 H HZ2 . LYS A 1 15 ? -7.463 -1.336 12.556 1.00 0.00 ? 15 LYS A HZ2 31 ATOM 42793 H HZ3 . LYS A 1 15 ? -8.909 -1.997 13.131 1.00 0.00 ? 15 LYS A HZ3 31 ATOM 42794 N N . GLU A 1 16 ? -8.827 -1.992 4.413 1.00 0.00 ? 16 GLU A N 31 ATOM 42795 C CA . GLU A 1 16 ? -7.871 -2.550 3.468 1.00 0.00 ? 16 GLU A CA 31 ATOM 42796 C C . GLU A 1 16 ? -7.064 -1.446 2.793 1.00 0.00 ? 16 GLU A C 31 ATOM 42797 O O . GLU A 1 16 ? -5.870 -1.608 2.547 1.00 0.00 ? 16 GLU A O 31 ATOM 42798 C CB . GLU A 1 16 ? -8.594 -3.389 2.412 1.00 0.00 ? 16 GLU A CB 31 ATOM 42799 C CG . GLU A 1 16 ? -7.662 -4.245 1.572 1.00 0.00 ? 16 GLU A CG 31 ATOM 42800 C CD . GLU A 1 16 ? -6.625 -4.972 2.406 1.00 0.00 ? 16 GLU A CD 31 ATOM 42801 O OE1 . GLU A 1 16 ? -6.986 -5.485 3.486 1.00 0.00 ? 16 GLU A OE1 31 ATOM 42802 O OE2 . GLU A 1 16 ? -5.453 -5.029 1.980 1.00 0.00 ? 16 GLU A OE2 31 ATOM 42803 H H . GLU A 1 16 ? -9.752 -1.860 4.124 1.00 0.00 ? 16 GLU A H 31 ATOM 42804 H HA . GLU A 1 16 ? -7.196 -3.187 4.019 1.00 0.00 ? 16 GLU A HA 31 ATOM 42805 H HB2 . GLU A 1 16 ? -9.298 -4.041 2.908 1.00 0.00 ? 16 GLU A HB2 31 ATOM 42806 H HB3 . GLU A 1 16 ? -9.134 -2.727 1.751 1.00 0.00 ? 16 GLU A HB3 31 ATOM 42807 H HG2 . GLU A 1 16 ? -8.249 -4.979 1.039 1.00 0.00 ? 16 GLU A HG2 31 ATOM 42808 H HG3 . GLU A 1 16 ? -7.151 -3.610 0.863 1.00 0.00 ? 16 GLU A HG3 31 ATOM 42809 N N . ILE A 1 17 ? -7.714 -0.323 2.492 1.00 0.00 ? 17 ILE A N 31 ATOM 42810 C CA . ILE A 1 17 ? -7.031 0.793 1.849 1.00 0.00 ? 17 ILE A CA 31 ATOM 42811 C C . ILE A 1 17 ? -6.108 1.506 2.840 1.00 0.00 ? 17 ILE A C 31 ATOM 42812 O O . ILE A 1 17 ? -5.011 1.938 2.484 1.00 0.00 ? 17 ILE A O 31 ATOM 42813 C CB . ILE A 1 17 ? -8.042 1.791 1.223 1.00 0.00 ? 17 ILE A CB 31 ATOM 42814 C CG1 . ILE A 1 17 ? -8.585 2.785 2.260 1.00 0.00 ? 17 ILE A CG1 31 ATOM 42815 C CG2 . ILE A 1 17 ? -9.191 1.037 0.580 1.00 0.00 ? 17 ILE A CG2 31 ATOM 42816 C CD1 . ILE A 1 17 ? -7.714 4.011 2.435 1.00 0.00 ? 17 ILE A CD1 31 ATOM 42817 H H . ILE A 1 17 ? -8.672 -0.241 2.707 1.00 0.00 ? 17 ILE A H 31 ATOM 42818 H HA . ILE A 1 17 ? -6.422 0.389 1.050 1.00 0.00 ? 17 ILE A HA 31 ATOM 42819 H HB . ILE A 1 17 ? -7.534 2.334 0.441 1.00 0.00 ? 17 ILE A HB 31 ATOM 42820 H HG12 . ILE A 1 17 ? -9.565 3.118 1.952 1.00 0.00 ? 17 ILE A HG12 31 ATOM 42821 H HG13 . ILE A 1 17 ? -8.661 2.292 3.218 1.00 0.00 ? 17 ILE A HG13 31 ATOM 42822 H HG21 . ILE A 1 17 ? -8.999 -0.024 0.627 1.00 0.00 ? 17 ILE A HG21 31 ATOM 42823 H HG22 . ILE A 1 17 ? -10.108 1.259 1.107 1.00 0.00 ? 17 ILE A HG22 31 ATOM 42824 H HG23 . ILE A 1 17 ? -9.285 1.341 -0.449 1.00 0.00 ? 17 ILE A HG23 31 ATOM 42825 H HD11 . ILE A 1 17 ? -6.712 3.792 2.096 1.00 0.00 ? 17 ILE A HD11 31 ATOM 42826 H HD12 . ILE A 1 17 ? -8.121 4.828 1.857 1.00 0.00 ? 17 ILE A HD12 31 ATOM 42827 H HD13 . ILE A 1 17 ? -7.688 4.287 3.479 1.00 0.00 ? 17 ILE A HD13 31 ATOM 42828 N N . GLU A 1 18 ? -6.561 1.614 4.086 1.00 0.00 ? 18 GLU A N 31 ATOM 42829 C CA . GLU A 1 18 ? -5.777 2.264 5.128 1.00 0.00 ? 18 GLU A CA 31 ATOM 42830 C C . GLU A 1 18 ? -4.639 1.360 5.584 1.00 0.00 ? 18 GLU A C 31 ATOM 42831 O O . GLU A 1 18 ? -3.543 1.829 5.895 1.00 0.00 ? 18 GLU A O 31 ATOM 42832 C CB . GLU A 1 18 ? -6.669 2.625 6.318 1.00 0.00 ? 18 GLU A CB 31 ATOM 42833 C CG . GLU A 1 18 ? -6.446 4.036 6.838 1.00 0.00 ? 18 GLU A CG 31 ATOM 42834 C CD . GLU A 1 18 ? -7.448 4.427 7.907 1.00 0.00 ? 18 GLU A CD 31 ATOM 42835 O OE1 . GLU A 1 18 ? -8.603 3.955 7.840 1.00 0.00 ? 18 GLU A OE1 31 ATOM 42836 O OE2 . GLU A 1 18 ? -7.078 5.205 8.811 1.00 0.00 ? 18 GLU A OE2 31 ATOM 42837 H H . GLU A 1 18 ? -7.441 1.242 4.313 1.00 0.00 ? 18 GLU A H 31 ATOM 42838 H HA . GLU A 1 18 ? -5.359 3.170 4.713 1.00 0.00 ? 18 GLU A HA 31 ATOM 42839 H HB2 . GLU A 1 18 ? -7.702 2.533 6.020 1.00 0.00 ? 18 GLU A HB2 31 ATOM 42840 H HB3 . GLU A 1 18 ? -6.471 1.933 7.123 1.00 0.00 ? 18 GLU A HB3 31 ATOM 42841 H HG2 . GLU A 1 18 ? -5.453 4.100 7.258 1.00 0.00 ? 18 GLU A HG2 31 ATOM 42842 H HG3 . GLU A 1 18 ? -6.533 4.728 6.014 1.00 0.00 ? 18 GLU A HG3 31 ATOM 42843 N N . ARG A 1 19 ? -4.905 0.058 5.620 1.00 0.00 ? 19 ARG A N 31 ATOM 42844 C CA . ARG A 1 19 ? -3.904 -0.914 6.034 1.00 0.00 ? 19 ARG A CA 31 ATOM 42845 C C . ARG A 1 19 ? -2.819 -1.055 4.974 1.00 0.00 ? 19 ARG A C 31 ATOM 42846 O O . ARG A 1 19 ? -1.652 -1.288 5.292 1.00 0.00 ? 19 ARG A O 31 ATOM 42847 C CB . ARG A 1 19 ? -4.555 -2.272 6.299 1.00 0.00 ? 19 ARG A CB 31 ATOM 42848 C CG . ARG A 1 19 ? -5.216 -2.374 7.664 1.00 0.00 ? 19 ARG A CG 31 ATOM 42849 C CD . ARG A 1 19 ? -4.329 -3.105 8.659 1.00 0.00 ? 19 ARG A CD 31 ATOM 42850 N NE . ARG A 1 19 ? -4.700 -4.510 8.792 1.00 0.00 ? 19 ARG A NE 31 ATOM 42851 C CZ . ARG A 1 19 ? -5.861 -4.922 9.292 1.00 0.00 ? 19 ARG A CZ 31 ATOM 42852 N NH1 . ARG A 1 19 ? -6.758 -4.037 9.704 1.00 0.00 ? 19 ARG A NH1 31 ATOM 42853 N NH2 . ARG A 1 19 ? -6.126 -6.218 9.380 1.00 0.00 ? 19 ARG A NH2 31 ATOM 42854 H H . ARG A 1 19 ? -5.796 -0.256 5.357 1.00 0.00 ? 19 ARG A H 31 ATOM 42855 H HA . ARG A 1 19 ? -3.452 -0.556 6.947 1.00 0.00 ? 19 ARG A HA 31 ATOM 42856 H HB2 . ARG A 1 19 ? -5.307 -2.452 5.545 1.00 0.00 ? 19 ARG A HB2 31 ATOM 42857 H HB3 . ARG A 1 19 ? -3.799 -3.041 6.232 1.00 0.00 ? 19 ARG A HB3 31 ATOM 42858 H HG2 . ARG A 1 19 ? -5.410 -1.377 8.034 1.00 0.00 ? 19 ARG A HG2 31 ATOM 42859 H HG3 . ARG A 1 19 ? -6.148 -2.910 7.563 1.00 0.00 ? 19 ARG A HG3 31 ATOM 42860 H HD2 . ARG A 1 19 ? -3.306 -3.043 8.323 1.00 0.00 ? 19 ARG A HD2 31 ATOM 42861 H HD3 . ARG A 1 19 ? -4.421 -2.625 9.622 1.00 0.00 ? 19 ARG A HD3 31 ATOM 42862 H HE . ARG A 1 19 ? -4.051 -5.182 8.494 1.00 0.00 ? 19 ARG A HE 31 ATOM 42863 H HH11 . ARG A 1 19 ? -6.563 -3.059 9.639 1.00 0.00 ? 19 ARG A HH11 31 ATOM 42864 H HH12 . ARG A 1 19 ? -7.632 -4.348 10.079 1.00 0.00 ? 19 ARG A HH12 31 ATOM 42865 H HH21 . ARG A 1 19 ? -5.451 -6.888 9.070 1.00 0.00 ? 19 ARG A HH21 31 ATOM 42866 H HH22 . ARG A 1 19 ? -6.999 -6.526 9.756 1.00 0.00 ? 19 ARG A HH22 31 ATOM 42867 N N . LEU A 1 20 ? -3.207 -0.903 3.712 1.00 0.00 ? 20 LEU A N 31 ATOM 42868 C CA . LEU A 1 20 ? -2.260 -1.006 2.613 1.00 0.00 ? 20 LEU A CA 31 ATOM 42869 C C . LEU A 1 20 ? -1.319 0.190 2.616 1.00 0.00 ? 20 LEU A C 31 ATOM 42870 O O . LEU A 1 20 ? -0.126 0.054 2.350 1.00 0.00 ? 20 LEU A O 31 ATOM 42871 C CB . LEU A 1 20 ? -3.000 -1.094 1.277 1.00 0.00 ? 20 LEU A CB 31 ATOM 42872 C CG . LEU A 1 20 ? -3.722 -2.417 1.022 1.00 0.00 ? 20 LEU A CG 31 ATOM 42873 C CD1 . LEU A 1 20 ? -4.879 -2.217 0.056 1.00 0.00 ? 20 LEU A CD1 31 ATOM 42874 C CD2 . LEU A 1 20 ? -2.750 -3.456 0.482 1.00 0.00 ? 20 LEU A CD2 31 ATOM 42875 H H . LEU A 1 20 ? -4.148 -0.710 3.515 1.00 0.00 ? 20 LEU A H 31 ATOM 42876 H HA . LEU A 1 20 ? -1.682 -1.907 2.756 1.00 0.00 ? 20 LEU A HA 31 ATOM 42877 H HB2 . LEU A 1 20 ? -3.729 -0.297 1.241 1.00 0.00 ? 20 LEU A HB2 31 ATOM 42878 H HB3 . LEU A 1 20 ? -2.285 -0.941 0.484 1.00 0.00 ? 20 LEU A HB3 31 ATOM 42879 H HG . LEU A 1 20 ? -4.124 -2.786 1.953 1.00 0.00 ? 20 LEU A HG 31 ATOM 42880 H HD11 . LEU A 1 20 ? -5.497 -1.401 0.400 1.00 0.00 ? 20 LEU A HD11 31 ATOM 42881 H HD12 . LEU A 1 20 ? -4.493 -1.986 -0.926 1.00 0.00 ? 20 LEU A HD12 31 ATOM 42882 H HD13 . LEU A 1 20 ? -5.469 -3.120 0.009 1.00 0.00 ? 20 LEU A HD13 31 ATOM 42883 H HD21 . LEU A 1 20 ? -1.764 -3.022 0.403 1.00 0.00 ? 20 LEU A HD21 31 ATOM 42884 H HD22 . LEU A 1 20 ? -2.717 -4.302 1.154 1.00 0.00 ? 20 LEU A HD22 31 ATOM 42885 H HD23 . LEU A 1 20 ? -3.078 -3.785 -0.493 1.00 0.00 ? 20 LEU A HD23 31 ATOM 42886 N N . GLN A 1 21 ? -1.867 1.363 2.920 1.00 0.00 ? 21 GLN A N 31 ATOM 42887 C CA . GLN A 1 21 ? -1.074 2.585 2.961 1.00 0.00 ? 21 GLN A CA 31 ATOM 42888 C C . GLN A 1 21 ? 0.009 2.496 4.030 1.00 0.00 ? 21 GLN A C 31 ATOM 42889 O O . GLN A 1 21 ? 1.163 2.853 3.789 1.00 0.00 ? 21 GLN A O 31 ATOM 42890 C CB . GLN A 1 21 ? -1.970 3.797 3.225 1.00 0.00 ? 21 GLN A CB 31 ATOM 42891 C CG . GLN A 1 21 ? -2.136 4.703 2.014 1.00 0.00 ? 21 GLN A CG 31 ATOM 42892 C CD . GLN A 1 21 ? -1.063 5.775 1.916 1.00 0.00 ? 21 GLN A CD 31 ATOM 42893 O OE1 . GLN A 1 21 ? -1.307 6.859 1.385 1.00 0.00 ? 21 GLN A OE1 31 ATOM 42894 N NE2 . GLN A 1 21 ? 0.133 5.483 2.422 1.00 0.00 ? 21 GLN A NE2 31 ATOM 42895 H H . GLN A 1 21 ? -2.826 1.407 3.123 1.00 0.00 ? 21 GLN A H 31 ATOM 42896 H HA . GLN A 1 21 ? -0.601 2.704 1.997 1.00 0.00 ? 21 GLN A HA 31 ATOM 42897 H HB2 . GLN A 1 21 ? -2.948 3.450 3.525 1.00 0.00 ? 21 GLN A HB2 31 ATOM 42898 H HB3 . GLN A 1 21 ? -1.542 4.380 4.027 1.00 0.00 ? 21 GLN A HB3 31 ATOM 42899 H HG2 . GLN A 1 21 ? -2.097 4.097 1.122 1.00 0.00 ? 21 GLN A HG2 31 ATOM 42900 H HG3 . GLN A 1 21 ? -3.100 5.186 2.076 1.00 0.00 ? 21 GLN A HG3 31 ATOM 42901 H HE21 . GLN A 1 21 ? 0.266 4.604 2.828 1.00 0.00 ? 21 GLN A HE21 31 ATOM 42902 H HE22 . GLN A 1 21 ? 0.835 6.165 2.367 1.00 0.00 ? 21 GLN A HE22 31 ATOM 42903 N N . LYS A 1 22 ? -0.365 2.017 5.213 1.00 0.00 ? 22 LYS A N 31 ATOM 42904 C CA . LYS A 1 22 ? 0.585 1.885 6.311 1.00 0.00 ? 22 LYS A CA 31 ATOM 42905 C C . LYS A 1 22 ? 1.679 0.881 5.961 1.00 0.00 ? 22 LYS A C 31 ATOM 42906 O O . LYS A 1 22 ? 2.832 1.038 6.363 1.00 0.00 ? 22 LYS A O 31 ATOM 42907 C CB . LYS A 1 22 ? -0.133 1.451 7.590 1.00 0.00 ? 22 LYS A CB 31 ATOM 42908 C CG . LYS A 1 22 ? -0.930 0.168 7.434 1.00 0.00 ? 22 LYS A CG 31 ATOM 42909 C CD . LYS A 1 22 ? -1.498 -0.300 8.764 1.00 0.00 ? 22 LYS A CD 31 ATOM 42910 C CE . LYS A 1 22 ? -0.920 -1.645 9.175 1.00 0.00 ? 22 LYS A CE 31 ATOM 42911 N NZ . LYS A 1 22 ? -0.961 -1.839 10.652 1.00 0.00 ? 22 LYS A NZ 31 ATOM 42912 H H . LYS A 1 22 ? -1.298 1.746 5.350 1.00 0.00 ? 22 LYS A H 31 ATOM 42913 H HA . LYS A 1 22 ? 1.039 2.851 6.474 1.00 0.00 ? 22 LYS A HA 31 ATOM 42914 H HB2 . LYS A 1 22 ? 0.602 1.302 8.368 1.00 0.00 ? 22 LYS A HB2 31 ATOM 42915 H HB3 . LYS A 1 22 ? -0.810 2.235 7.893 1.00 0.00 ? 22 LYS A HB3 31 ATOM 42916 H HG2 . LYS A 1 22 ? -1.744 0.343 6.748 1.00 0.00 ? 22 LYS A HG2 31 ATOM 42917 H HG3 . LYS A 1 22 ? -0.282 -0.602 7.039 1.00 0.00 ? 22 LYS A HG3 31 ATOM 42918 H HD2 . LYS A 1 22 ? -1.259 0.430 9.523 1.00 0.00 ? 22 LYS A HD2 31 ATOM 42919 H HD3 . LYS A 1 22 ? -2.570 -0.391 8.675 1.00 0.00 ? 22 LYS A HD3 31 ATOM 42920 H HE2 . LYS A 1 22 ? -1.492 -2.428 8.703 1.00 0.00 ? 22 LYS A HE2 31 ATOM 42921 H HE3 . LYS A 1 22 ? 0.106 -1.698 8.842 1.00 0.00 ? 22 LYS A HE3 31 ATOM 42922 H HZ1 . LYS A 1 22 ? -1.232 -0.951 11.121 1.00 0.00 ? 22 LYS A HZ1 31 ATOM 42923 H HZ2 . LYS A 1 22 ? -1.656 -2.574 10.895 1.00 0.00 ? 22 LYS A HZ2 31 ATOM 42924 H HZ3 . LYS A 1 22 ? -0.026 -2.132 11.000 1.00 0.00 ? 22 LYS A HZ3 31 ATOM 42925 N N . GLU A 1 23 ? 1.308 -0.149 5.207 1.00 0.00 ? 23 GLU A N 31 ATOM 42926 C CA . GLU A 1 23 ? 2.257 -1.178 4.800 1.00 0.00 ? 23 GLU A CA 31 ATOM 42927 C C . GLU A 1 23 ? 3.299 -0.615 3.837 1.00 0.00 ? 23 GLU A C 31 ATOM 42928 O O . GLU A 1 23 ? 4.476 -0.977 3.898 1.00 0.00 ? 23 GLU A O 31 ATOM 42929 C CB . GLU A 1 23 ? 1.521 -2.348 4.144 1.00 0.00 ? 23 GLU A CB 31 ATOM 42930 C CG . GLU A 1 23 ? 2.205 -3.690 4.347 1.00 0.00 ? 23 GLU A CG 31 ATOM 42931 C CD . GLU A 1 23 ? 1.331 -4.858 3.937 1.00 0.00 ? 23 GLU A CD 31 ATOM 42932 O OE1 . GLU A 1 23 ? 0.973 -4.941 2.743 1.00 0.00 ? 23 GLU A OE1 31 ATOM 42933 O OE2 . GLU A 1 23 ? 1.003 -5.689 4.809 1.00 0.00 ? 23 GLU A OE2 31 ATOM 42934 H H . GLU A 1 23 ? 0.374 -0.218 4.917 1.00 0.00 ? 23 GLU A H 31 ATOM 42935 H HA . GLU A 1 23 ? 2.760 -1.535 5.687 1.00 0.00 ? 23 GLU A HA 31 ATOM 42936 H HB2 . GLU A 1 23 ? 0.525 -2.409 4.558 1.00 0.00 ? 23 GLU A HB2 31 ATOM 42937 H HB3 . GLU A 1 23 ? 1.449 -2.162 3.082 1.00 0.00 ? 23 GLU A HB3 31 ATOM 42938 H HG2 . GLU A 1 23 ? 3.109 -3.712 3.757 1.00 0.00 ? 23 GLU A HG2 31 ATOM 42939 H HG3 . GLU A 1 23 ? 2.456 -3.796 5.393 1.00 0.00 ? 23 GLU A HG3 31 ATOM 42940 N N . ILE A 1 24 ? 2.863 0.275 2.951 1.00 0.00 ? 24 ILE A N 31 ATOM 42941 C CA . ILE A 1 24 ? 3.769 0.884 1.982 1.00 0.00 ? 24 ILE A CA 31 ATOM 42942 C C . ILE A 1 24 ? 4.817 1.736 2.701 1.00 0.00 ? 24 ILE A C 31 ATOM 42943 O O . ILE A 1 24 ? 5.994 1.733 2.342 1.00 0.00 ? 24 ILE A O 31 ATOM 42944 C CB . ILE A 1 24 ? 3.008 1.724 0.902 1.00 0.00 ? 24 ILE A CB 31 ATOM 42945 C CG1 . ILE A 1 24 ? 2.892 3.206 1.285 1.00 0.00 ? 24 ILE A CG1 31 ATOM 42946 C CG2 . ILE A 1 24 ? 1.623 1.147 0.648 1.00 0.00 ? 24 ILE A CG2 31 ATOM 42947 C CD1 . ILE A 1 24 ? 4.119 4.011 0.915 1.00 0.00 ? 24 ILE A CD1 31 ATOM 42948 H H . ILE A 1 24 ? 1.917 0.529 2.954 1.00 0.00 ? 24 ILE A H 31 ATOM 42949 H HA . ILE A 1 24 ? 4.281 0.077 1.471 1.00 0.00 ? 24 ILE A HA 31 ATOM 42950 H HB . ILE A 1 24 ? 3.564 1.648 -0.020 1.00 0.00 ? 24 ILE A HB 31 ATOM 42951 H HG12 . ILE A 1 24 ? 2.045 3.639 0.774 1.00 0.00 ? 24 ILE A HG12 31 ATOM 42952 H HG13 . ILE A 1 24 ? 2.747 3.290 2.351 1.00 0.00 ? 24 ILE A HG13 31 ATOM 42953 H HG21 . ILE A 1 24 ? 1.593 0.120 0.981 1.00 0.00 ? 24 ILE A HG21 31 ATOM 42954 H HG22 . ILE A 1 24 ? 0.888 1.723 1.192 1.00 0.00 ? 24 ILE A HG22 31 ATOM 42955 H HG23 . ILE A 1 24 ? 1.404 1.191 -0.407 1.00 0.00 ? 24 ILE A HG23 31 ATOM 42956 H HD11 . ILE A 1 24 ? 4.837 3.367 0.425 1.00 0.00 ? 24 ILE A HD11 31 ATOM 42957 H HD12 . ILE A 1 24 ? 3.839 4.812 0.248 1.00 0.00 ? 24 ILE A HD12 31 ATOM 42958 H HD13 . ILE A 1 24 ? 4.560 4.427 1.811 1.00 0.00 ? 24 ILE A HD13 31 ATOM 42959 N N . GLU A 1 25 ? 4.370 2.459 3.726 1.00 0.00 ? 25 GLU A N 31 ATOM 42960 C CA . GLU A 1 25 ? 5.257 3.311 4.508 1.00 0.00 ? 25 GLU A CA 31 ATOM 42961 C C . GLU A 1 25 ? 6.346 2.480 5.173 1.00 0.00 ? 25 GLU A C 31 ATOM 42962 O O . GLU A 1 25 ? 7.511 2.874 5.205 1.00 0.00 ? 25 GLU A O 31 ATOM 42963 C CB . GLU A 1 25 ? 4.462 4.077 5.567 1.00 0.00 ? 25 GLU A CB 31 ATOM 42964 C CG . GLU A 1 25 ? 5.240 5.215 6.208 1.00 0.00 ? 25 GLU A CG 31 ATOM 42965 C CD . GLU A 1 25 ? 4.863 5.434 7.660 1.00 0.00 ? 25 GLU A CD 31 ATOM 42966 O OE1 . GLU A 1 25 ? 3.760 5.004 8.058 1.00 0.00 ? 25 GLU A OE1 31 ATOM 42967 O OE2 . GLU A 1 25 ? 5.671 6.035 8.399 1.00 0.00 ? 25 GLU A OE2 31 ATOM 42968 H H . GLU A 1 25 ? 3.420 2.413 3.965 1.00 0.00 ? 25 GLU A H 31 ATOM 42969 H HA . GLU A 1 25 ? 5.719 4.018 3.834 1.00 0.00 ? 25 GLU A HA 31 ATOM 42970 H HB2 . GLU A 1 25 ? 3.576 4.489 5.109 1.00 0.00 ? 25 GLU A HB2 31 ATOM 42971 H HB3 . GLU A 1 25 ? 4.167 3.389 6.346 1.00 0.00 ? 25 GLU A HB3 31 ATOM 42972 H HG2 . GLU A 1 25 ? 6.294 4.986 6.156 1.00 0.00 ? 25 GLU A HG2 31 ATOM 42973 H HG3 . GLU A 1 25 ? 5.042 6.124 5.659 1.00 0.00 ? 25 GLU A HG3 31 ATOM 42974 N N . ARG A 1 26 ? 5.959 1.320 5.696 1.00 0.00 ? 26 ARG A N 31 ATOM 42975 C CA . ARG A 1 26 ? 6.908 0.427 6.348 1.00 0.00 ? 26 ARG A CA 31 ATOM 42976 C C . ARG A 1 26 ? 8.026 0.060 5.381 1.00 0.00 ? 26 ARG A C 31 ATOM 42977 O O . ARG A 1 26 ? 9.208 0.079 5.737 1.00 0.00 ? 26 ARG A O 31 ATOM 42978 C CB . ARG A 1 26 ? 6.201 -0.837 6.840 1.00 0.00 ? 26 ARG A CB 31 ATOM 42979 C CG . ARG A 1 26 ? 7.119 -1.798 7.577 1.00 0.00 ? 26 ARG A CG 31 ATOM 42980 C CD . ARG A 1 26 ? 6.333 -2.747 8.467 1.00 0.00 ? 26 ARG A CD 31 ATOM 42981 N NE . ARG A 1 26 ? 6.763 -4.133 8.305 1.00 0.00 ? 26 ARG A NE 31 ATOM 42982 C CZ . ARG A 1 26 ? 7.918 -4.604 8.765 1.00 0.00 ? 26 ARG A CZ 31 ATOM 42983 N NH1 . ARG A 1 26 ? 8.753 -3.802 9.413 1.00 0.00 ? 26 ARG A NH1 31 ATOM 42984 N NH2 . ARG A 1 26 ? 8.239 -5.876 8.578 1.00 0.00 ? 26 ARG A NH2 31 ATOM 42985 H H . ARG A 1 26 ? 5.018 1.055 5.633 1.00 0.00 ? 26 ARG A H 31 ATOM 42986 H HA . ARG A 1 26 ? 7.332 0.950 7.193 1.00 0.00 ? 26 ARG A HA 31 ATOM 42987 H HB2 . ARG A 1 26 ? 5.402 -0.552 7.509 1.00 0.00 ? 26 ARG A HB2 31 ATOM 42988 H HB3 . ARG A 1 26 ? 5.781 -1.354 5.991 1.00 0.00 ? 26 ARG A HB3 31 ATOM 42989 H HG2 . ARG A 1 26 ? 7.674 -2.376 6.855 1.00 0.00 ? 26 ARG A HG2 31 ATOM 42990 H HG3 . ARG A 1 26 ? 7.804 -1.229 8.189 1.00 0.00 ? 26 ARG A HG3 31 ATOM 42991 H HD2 . ARG A 1 26 ? 6.474 -2.456 9.498 1.00 0.00 ? 26 ARG A HD2 31 ATOM 42992 H HD3 . ARG A 1 26 ? 5.286 -2.673 8.214 1.00 0.00 ? 26 ARG A HD3 31 ATOM 42993 H HE . ARG A 1 26 ? 6.161 -4.743 7.829 1.00 0.00 ? 26 ARG A HE 31 ATOM 42994 H HH11 . ARG A 1 26 ? 8.513 -2.842 9.556 1.00 0.00 ? 26 ARG A HH11 31 ATOM 42995 H HH12 . ARG A 1 26 ? 9.620 -4.158 9.758 1.00 0.00 ? 26 ARG A HH12 31 ATOM 42996 H HH21 . ARG A 1 26 ? 7.611 -6.484 8.090 1.00 0.00 ? 26 ARG A HH21 31 ATOM 42997 H HH22 . ARG A 1 26 ? 9.108 -6.229 8.925 1.00 0.00 ? 26 ARG A HH22 31 ATOM 42998 N N . HIS A 1 27 ? 7.647 -0.253 4.146 1.00 0.00 ? 27 HIS A N 31 ATOM 42999 C CA . HIS A 1 27 ? 8.618 -0.599 3.127 1.00 0.00 ? 27 HIS A CA 31 ATOM 43000 C C . HIS A 1 27 ? 9.430 0.630 2.746 1.00 0.00 ? 27 HIS A C 31 ATOM 43001 O O . HIS A 1 27 ? 10.559 0.517 2.274 1.00 0.00 ? 27 HIS A O 31 ATOM 43002 C CB . HIS A 1 27 ? 7.918 -1.172 1.894 1.00 0.00 ? 27 HIS A CB 31 ATOM 43003 C CG . HIS A 1 27 ? 8.310 -2.584 1.586 1.00 0.00 ? 27 HIS A CG 31 ATOM 43004 N ND1 . HIS A 1 27 ? 9.514 -2.921 1.002 1.00 0.00 ? 27 HIS A ND1 31 ATOM 43005 C CD2 . HIS A 1 27 ? 7.651 -3.750 1.785 1.00 0.00 ? 27 HIS A CD2 31 ATOM 43006 C CE1 . HIS A 1 27 ? 9.578 -4.232 0.855 1.00 0.00 ? 27 HIS A CE1 31 ATOM 43007 N NE2 . HIS A 1 27 ? 8.462 -4.758 1.324 1.00 0.00 ? 27 HIS A NE2 31 ATOM 43008 H H . HIS A 1 27 ? 6.694 -0.230 3.910 1.00 0.00 ? 27 HIS A H 31 ATOM 43009 H HA . HIS A 1 27 ? 9.281 -1.346 3.536 1.00 0.00 ? 27 HIS A HA 31 ATOM 43010 H HB2 . HIS A 1 27 ? 6.850 -1.153 2.054 1.00 0.00 ? 27 HIS A HB2 31 ATOM 43011 H HB3 . HIS A 1 27 ? 8.160 -0.564 1.036 1.00 0.00 ? 27 HIS A HB3 31 ATOM 43012 H HD1 . HIS A 1 27 ? 10.216 -2.292 0.735 1.00 0.00 ? 27 HIS A HD1 31 ATOM 43013 H HD2 . HIS A 1 27 ? 6.671 -3.865 2.227 1.00 0.00 ? 27 HIS A HD2 31 ATOM 43014 H HE1 . HIS A 1 27 ? 10.404 -4.780 0.428 1.00 0.00 ? 27 HIS A HE1 31 ATOM 43015 H HE2 . HIS A 1 27 ? 8.248 -5.714 1.338 1.00 0.00 ? 27 HIS A HE2 31 ATOM 43016 N N . LYS A 1 28 ? 8.843 1.808 2.958 1.00 0.00 ? 28 LYS A N 31 ATOM 43017 C CA . LYS A 1 28 ? 9.509 3.063 2.642 1.00 0.00 ? 28 LYS A CA 31 ATOM 43018 C C . LYS A 1 28 ? 10.615 3.357 3.647 1.00 0.00 ? 28 LYS A C 31 ATOM 43019 O O . LYS A 1 28 ? 11.589 4.040 3.333 1.00 0.00 ? 28 LYS A O 31 ATOM 43020 C CB . LYS A 1 28 ? 8.498 4.211 2.625 1.00 0.00 ? 28 LYS A CB 31 ATOM 43021 C CG . LYS A 1 28 ? 9.002 5.454 1.907 1.00 0.00 ? 28 LYS A CG 31 ATOM 43022 C CD . LYS A 1 28 ? 8.376 6.717 2.477 1.00 0.00 ? 28 LYS A CD 31 ATOM 43023 C CE . LYS A 1 28 ? 7.035 7.016 1.828 1.00 0.00 ? 28 LYS A CE 31 ATOM 43024 N NZ . LYS A 1 28 ? 6.368 8.194 2.447 1.00 0.00 ? 28 LYS A NZ 31 ATOM 43025 H H . LYS A 1 28 ? 7.941 1.832 3.336 1.00 0.00 ? 28 LYS A H 31 ATOM 43026 H HA . LYS A 1 28 ? 9.946 2.965 1.664 1.00 0.00 ? 28 LYS A HA 31 ATOM 43027 H HB2 . LYS A 1 28 ? 7.598 3.877 2.131 1.00 0.00 ? 28 LYS A HB2 31 ATOM 43028 H HB3 . LYS A 1 28 ? 8.261 4.481 3.644 1.00 0.00 ? 28 LYS A HB3 31 ATOM 43029 H HG2 . LYS A 1 28 ? 10.074 5.513 2.019 1.00 0.00 ? 28 LYS A HG2 31 ATOM 43030 H HG3 . LYS A 1 28 ? 8.751 5.379 0.860 1.00 0.00 ? 28 LYS A HG3 31 ATOM 43031 H HD2 . LYS A 1 28 ? 8.231 6.589 3.538 1.00 0.00 ? 28 LYS A HD2 31 ATOM 43032 H HD3 . LYS A 1 28 ? 9.045 7.548 2.301 1.00 0.00 ? 28 LYS A HD3 31 ATOM 43033 H HE2 . LYS A 1 28 ? 7.194 7.215 0.779 1.00 0.00 ? 28 LYS A HE2 31 ATOM 43034 H HE3 . LYS A 1 28 ? 6.396 6.152 1.937 1.00 0.00 ? 28 LYS A HE3 31 ATOM 43035 H HZ1 . LYS A 1 28 ? 7.080 8.888 2.753 1.00 0.00 ? 28 LYS A HZ1 31 ATOM 43036 H HZ2 . LYS A 1 28 ? 5.732 8.647 1.761 1.00 0.00 ? 28 LYS A HZ2 31 ATOM 43037 H HZ3 . LYS A 1 28 ? 5.814 7.896 3.276 1.00 0.00 ? 28 LYS A HZ3 31 ATOM 43038 N N . GLN A 1 29 ? 10.459 2.831 4.858 1.00 0.00 ? 29 GLN A N 31 ATOM 43039 C CA . GLN A 1 29 ? 11.448 3.032 5.907 1.00 0.00 ? 29 GLN A CA 31 ATOM 43040 C C . GLN A 1 29 ? 12.657 2.134 5.678 1.00 0.00 ? 29 GLN A C 31 ATOM 43041 O O . GLN A 1 29 ? 13.801 2.564 5.835 1.00 0.00 ? 29 GLN A O 31 ATOM 43042 C CB . GLN A 1 29 ? 10.835 2.746 7.279 1.00 0.00 ? 29 GLN A CB 31 ATOM 43043 C CG . GLN A 1 29 ? 11.810 2.931 8.431 1.00 0.00 ? 29 GLN A CG 31 ATOM 43044 C CD . GLN A 1 29 ? 11.439 2.105 9.647 1.00 0.00 ? 29 GLN A CD 31 ATOM 43045 O OE1 . GLN A 1 29 ? 10.334 1.569 9.734 1.00 0.00 ? 29 GLN A OE1 31 ATOM 43046 N NE2 . GLN A 1 29 ? 12.363 1.998 10.594 1.00 0.00 ? 29 GLN A NE2 31 ATOM 43047 H H . GLN A 1 29 ? 9.663 2.292 5.047 1.00 0.00 ? 29 GLN A H 31 ATOM 43048 H HA . GLN A 1 29 ? 11.767 4.063 5.869 1.00 0.00 ? 29 GLN A HA 31 ATOM 43049 H HB2 . GLN A 1 29 ? 10.000 3.414 7.433 1.00 0.00 ? 29 GLN A HB2 31 ATOM 43050 H HB3 . GLN A 1 29 ? 10.479 1.727 7.297 1.00 0.00 ? 29 GLN A HB3 31 ATOM 43051 H HG2 . GLN A 1 29 ? 12.796 2.636 8.102 1.00 0.00 ? 29 GLN A HG2 31 ATOM 43052 H HG3 . GLN A 1 29 ? 11.822 3.974 8.712 1.00 0.00 ? 29 GLN A HG3 31 ATOM 43053 H HE21 . GLN A 1 29 ? 13.221 2.452 10.457 1.00 0.00 ? 29 GLN A HE21 31 ATOM 43054 H HE22 . GLN A 1 29 ? 12.150 1.469 11.392 1.00 0.00 ? 29 GLN A HE22 31 ATOM 43055 N N . SER A 1 30 ? 12.398 0.886 5.303 1.00 0.00 ? 30 SER A N 31 ATOM 43056 C CA . SER A 1 30 ? 13.469 -0.071 5.050 1.00 0.00 ? 30 SER A CA 31 ATOM 43057 C C . SER A 1 30 ? 14.283 0.330 3.820 1.00 0.00 ? 30 SER A C 31 ATOM 43058 O O . SER A 1 30 ? 15.510 0.217 3.809 1.00 0.00 ? 30 SER A O 31 ATOM 43059 C CB . SER A 1 30 ? 12.893 -1.475 4.858 1.00 0.00 ? 30 SER A CB 31 ATOM 43060 O OG . SER A 1 30 ? 12.929 -2.212 6.068 1.00 0.00 ? 30 SER A OG 31 ATOM 43061 H H . SER A 1 30 ? 11.462 0.602 5.195 1.00 0.00 ? 30 SER A H 31 ATOM 43062 H HA . SER A 1 30 ? 14.121 -0.074 5.911 1.00 0.00 ? 30 SER A HA 31 ATOM 43063 H HB2 . SER A 1 30 ? 11.866 -1.399 4.530 1.00 0.00 ? 30 SER A HB2 31 ATOM 43064 H HB3 . SER A 1 30 ? 13.471 -2.001 4.112 1.00 0.00 ? 30 SER A HB3 31 ATOM 43065 H HG . SER A 1 30 ? 12.755 -3.138 5.885 1.00 0.00 ? 30 SER A HG 31 ATOM 43066 N N . ILE A 1 31 ? 13.591 0.797 2.784 1.00 0.00 ? 31 ILE A N 31 ATOM 43067 C CA . ILE A 1 31 ? 14.247 1.213 1.549 1.00 0.00 ? 31 ILE A CA 31 ATOM 43068 C C . ILE A 1 31 ? 15.016 2.514 1.752 1.00 0.00 ? 31 ILE A C 31 ATOM 43069 O O . ILE A 1 31 ? 16.086 2.710 1.176 1.00 0.00 ? 31 ILE A O 31 ATOM 43070 C CB . ILE A 1 31 ? 13.216 1.387 0.410 1.00 0.00 ? 31 ILE A CB 31 ATOM 43071 C CG1 . ILE A 1 31 ? 13.863 1.945 -0.857 1.00 0.00 ? 31 ILE A CG1 31 ATOM 43072 C CG2 . ILE A 1 31 ? 12.091 2.300 0.853 1.00 0.00 ? 31 ILE A CG2 31 ATOM 43073 C CD1 . ILE A 1 31 ? 14.679 0.929 -1.608 1.00 0.00 ? 31 ILE A CD1 31 ATOM 43074 H H . ILE A 1 31 ? 12.615 0.865 2.853 1.00 0.00 ? 31 ILE A H 31 ATOM 43075 H HA . ILE A 1 31 ? 14.943 0.438 1.263 1.00 0.00 ? 31 ILE A HA 31 ATOM 43076 H HB . ILE A 1 31 ? 12.795 0.412 0.189 1.00 0.00 ? 31 ILE A HB 31 ATOM 43077 H HG12 . ILE A 1 31 ? 13.085 2.296 -1.520 1.00 0.00 ? 31 ILE A HG12 31 ATOM 43078 H HG13 . ILE A 1 31 ? 14.508 2.770 -0.598 1.00 0.00 ? 31 ILE A HG13 31 ATOM 43079 H HG21 . ILE A 1 31 ? 12.169 2.483 1.914 1.00 0.00 ? 31 ILE A HG21 31 ATOM 43080 H HG22 . ILE A 1 31 ? 12.159 3.237 0.321 1.00 0.00 ? 31 ILE A HG22 31 ATOM 43081 H HG23 . ILE A 1 31 ? 11.144 1.832 0.636 1.00 0.00 ? 31 ILE A HG23 31 ATOM 43082 H HD11 . ILE A 1 31 ? 15.293 0.375 -0.913 1.00 0.00 ? 31 ILE A HD11 31 ATOM 43083 H HD12 . ILE A 1 31 ? 14.014 0.254 -2.122 1.00 0.00 ? 31 ILE A HD12 31 ATOM 43084 H HD13 . ILE A 1 31 ? 15.309 1.431 -2.327 1.00 0.00 ? 31 ILE A HD13 31 ATOM 43085 N N . LYS A 1 32 ? 14.469 3.399 2.578 1.00 0.00 ? 32 LYS A N 31 ATOM 43086 C CA . LYS A 1 32 ? 15.110 4.677 2.858 1.00 0.00 ? 32 LYS A CA 31 ATOM 43087 C C . LYS A 1 32 ? 16.306 4.496 3.788 1.00 0.00 ? 32 LYS A C 31 ATOM 43088 O O . LYS A 1 32 ? 17.187 5.352 3.853 1.00 0.00 ? 32 LYS A O 31 ATOM 43089 C CB . LYS A 1 32 ? 14.105 5.648 3.482 1.00 0.00 ? 32 LYS A CB 31 ATOM 43090 C CG . LYS A 1 32 ? 14.598 7.085 3.525 1.00 0.00 ? 32 LYS A CG 31 ATOM 43091 C CD . LYS A 1 32 ? 13.454 8.058 3.767 1.00 0.00 ? 32 LYS A CD 31 ATOM 43092 C CE . LYS A 1 32 ? 13.255 8.324 5.251 1.00 0.00 ? 32 LYS A CE 31 ATOM 43093 N NZ . LYS A 1 32 ? 13.550 9.739 5.606 1.00 0.00 ? 32 LYS A NZ 31 ATOM 43094 H H . LYS A 1 32 ? 13.616 3.185 3.012 1.00 0.00 ? 32 LYS A H 31 ATOM 43095 H HA . LYS A 1 32 ? 15.456 5.084 1.920 1.00 0.00 ? 32 LYS A HA 31 ATOM 43096 H HB2 . LYS A 1 32 ? 13.191 5.619 2.908 1.00 0.00 ? 32 LYS A HB2 31 ATOM 43097 H HB3 . LYS A 1 32 ? 13.896 5.330 4.493 1.00 0.00 ? 32 LYS A HB3 31 ATOM 43098 H HG2 . LYS A 1 32 ? 15.317 7.185 4.324 1.00 0.00 ? 32 LYS A HG2 31 ATOM 43099 H HG3 . LYS A 1 32 ? 15.067 7.324 2.582 1.00 0.00 ? 32 LYS A HG3 31 ATOM 43100 H HD2 . LYS A 1 32 ? 13.676 8.990 3.271 1.00 0.00 ? 32 LYS A HD2 31 ATOM 43101 H HD3 . LYS A 1 32 ? 12.545 7.638 3.360 1.00 0.00 ? 32 LYS A HD3 31 ATOM 43102 H HE2 . LYS A 1 32 ? 12.230 8.104 5.508 1.00 0.00 ? 32 LYS A HE2 31 ATOM 43103 H HE3 . LYS A 1 32 ? 13.913 7.676 5.811 1.00 0.00 ? 32 LYS A HE3 31 ATOM 43104 H HZ1 . LYS A 1 32 ? 14.498 10.002 5.269 1.00 0.00 ? 32 LYS A HZ1 31 ATOM 43105 H HZ2 . LYS A 1 32 ? 12.850 10.372 5.165 1.00 0.00 ? 32 LYS A HZ2 31 ATOM 43106 H HZ3 . LYS A 1 32 ? 13.513 9.865 6.637 1.00 0.00 ? 32 LYS A HZ3 31 ATOM 43107 N N . LYS A 1 33 ? 16.330 3.379 4.514 1.00 0.00 ? 33 LYS A N 31 ATOM 43108 C CA . LYS A 1 33 ? 17.415 3.098 5.444 1.00 0.00 ? 33 LYS A CA 31 ATOM 43109 C C . LYS A 1 33 ? 18.632 2.521 4.726 1.00 0.00 ? 33 LYS A C 31 ATOM 43110 O O . LYS A 1 33 ? 19.770 2.843 5.068 1.00 0.00 ? 33 LYS A O 31 ATOM 43111 C CB . LYS A 1 33 ? 16.944 2.128 6.530 1.00 0.00 ? 33 LYS A CB 31 ATOM 43112 C CG . LYS A 1 33 ? 18.008 1.815 7.569 1.00 0.00 ? 33 LYS A CG 31 ATOM 43113 C CD . LYS A 1 33 ? 17.413 1.115 8.781 1.00 0.00 ? 33 LYS A CD 31 ATOM 43114 C CE . LYS A 1 33 ? 18.309 -0.012 9.268 1.00 0.00 ? 33 LYS A CE 31 ATOM 43115 N NZ . LYS A 1 33 ? 19.334 0.470 10.234 1.00 0.00 ? 33 LYS A NZ 31 ATOM 43116 H H . LYS A 1 33 ? 15.598 2.734 4.426 1.00 0.00 ? 33 LYS A H 31 ATOM 43117 H HA . LYS A 1 33 ? 17.699 4.030 5.909 1.00 0.00 ? 33 LYS A HA 31 ATOM 43118 H HB2 . LYS A 1 33 ? 16.092 2.558 7.036 1.00 0.00 ? 33 LYS A HB2 31 ATOM 43119 H HB3 . LYS A 1 33 ? 16.644 1.202 6.063 1.00 0.00 ? 33 LYS A HB3 31 ATOM 43120 H HG2 . LYS A 1 33 ? 18.754 1.173 7.125 1.00 0.00 ? 33 LYS A HG2 31 ATOM 43121 H HG3 . LYS A 1 33 ? 18.469 2.739 7.888 1.00 0.00 ? 33 LYS A HG3 31 ATOM 43122 H HD2 . LYS A 1 33 ? 17.293 1.834 9.577 1.00 0.00 ? 33 LYS A HD2 31 ATOM 43123 H HD3 . LYS A 1 33 ? 16.450 0.708 8.512 1.00 0.00 ? 33 LYS A HD3 31 ATOM 43124 H HE2 . LYS A 1 33 ? 17.696 -0.760 9.749 1.00 0.00 ? 33 LYS A HE2 31 ATOM 43125 H HE3 . LYS A 1 33 ? 18.809 -0.452 8.417 1.00 0.00 ? 33 LYS A HE3 31 ATOM 43126 H HZ1 . LYS A 1 33 ? 18.950 1.254 10.801 1.00 0.00 ? 33 LYS A HZ1 31 ATOM 43127 H HZ2 . LYS A 1 33 ? 19.613 -0.302 10.875 1.00 0.00 ? 33 LYS A HZ2 31 ATOM 43128 H HZ3 . LYS A 1 33 ? 20.176 0.805 9.726 1.00 0.00 ? 33 LYS A HZ3 31 ATOM 43129 N N . LEU A 1 34 ? 18.395 1.668 3.733 1.00 0.00 ? 34 LEU A N 31 ATOM 43130 C CA . LEU A 1 34 ? 19.488 1.062 2.986 1.00 0.00 ? 34 LEU A CA 31 ATOM 43131 C C . LEU A 1 34 ? 20.018 2.023 1.928 1.00 0.00 ? 34 LEU A C 31 ATOM 43132 O O . LEU A 1 34 ? 21.171 1.925 1.508 1.00 0.00 ? 34 LEU A O 31 ATOM 43133 C CB . LEU A 1 34 ? 19.032 -0.244 2.336 1.00 0.00 ? 34 LEU A CB 31 ATOM 43134 C CG . LEU A 1 34 ? 18.594 -1.335 3.313 1.00 0.00 ? 34 LEU A CG 31 ATOM 43135 C CD1 . LEU A 1 34 ? 17.545 -2.234 2.676 1.00 0.00 ? 34 LEU A CD1 31 ATOM 43136 C CD2 . LEU A 1 34 ? 19.793 -2.154 3.767 1.00 0.00 ? 34 LEU A CD2 31 ATOM 43137 H H . LEU A 1 34 ? 17.469 1.443 3.496 1.00 0.00 ? 34 LEU A H 31 ATOM 43138 H HA . LEU A 1 34 ? 20.283 0.846 3.685 1.00 0.00 ? 34 LEU A HA 31 ATOM 43139 H HB2 . LEU A 1 34 ? 18.204 -0.023 1.677 1.00 0.00 ? 34 LEU A HB2 31 ATOM 43140 H HB3 . LEU A 1 34 ? 19.848 -0.630 1.745 1.00 0.00 ? 34 LEU A HB3 31 ATOM 43141 H HG . LEU A 1 34 ? 18.153 -0.874 4.185 1.00 0.00 ? 34 LEU A HG 31 ATOM 43142 H HD11 . LEU A 1 34 ? 16.783 -1.625 2.213 1.00 0.00 ? 34 LEU A HD11 31 ATOM 43143 H HD12 . LEU A 1 34 ? 18.013 -2.857 1.928 1.00 0.00 ? 34 LEU A HD12 31 ATOM 43144 H HD13 . LEU A 1 34 ? 17.097 -2.858 3.434 1.00 0.00 ? 34 LEU A HD13 31 ATOM 43145 H HD21 . LEU A 1 34 ? 20.539 -1.496 4.189 1.00 0.00 ? 34 LEU A HD21 31 ATOM 43146 H HD22 . LEU A 1 34 ? 19.479 -2.869 4.513 1.00 0.00 ? 34 LEU A HD22 31 ATOM 43147 H HD23 . LEU A 1 34 ? 20.212 -2.677 2.921 1.00 0.00 ? 34 LEU A HD23 31 ATOM 43148 N N . LYS A 1 35 ? 19.172 2.957 1.504 1.00 0.00 ? 35 LYS A N 31 ATOM 43149 C CA . LYS A 1 35 ? 19.562 3.939 0.501 1.00 0.00 ? 35 LYS A CA 31 ATOM 43150 C C . LYS A 1 35 ? 20.269 5.121 1.155 1.00 0.00 ? 35 LYS A C 31 ATOM 43151 O O . LYS A 1 35 ? 21.136 5.752 0.550 1.00 0.00 ? 35 LYS A O 31 ATOM 43152 C CB . LYS A 1 35 ? 18.338 4.424 -0.278 1.00 0.00 ? 35 LYS A CB 31 ATOM 43153 C CG . LYS A 1 35 ? 17.429 5.344 0.521 1.00 0.00 ? 35 LYS A CG 31 ATOM 43154 C CD . LYS A 1 35 ? 17.786 6.805 0.304 1.00 0.00 ? 35 LYS A CD 31 ATOM 43155 C CE . LYS A 1 35 ? 16.585 7.607 -0.170 1.00 0.00 ? 35 LYS A CE 31 ATOM 43156 N NZ . LYS A 1 35 ? 16.988 8.912 -0.765 1.00 0.00 ? 35 LYS A NZ 31 ATOM 43157 H H . LYS A 1 35 ? 18.266 2.990 1.878 1.00 0.00 ? 35 LYS A H 31 ATOM 43158 H HA . LYS A 1 35 ? 20.247 3.459 -0.182 1.00 0.00 ? 35 LYS A HA 31 ATOM 43159 H HB2 . LYS A 1 35 ? 18.672 4.958 -1.156 1.00 0.00 ? 35 LYS A HB2 31 ATOM 43160 H HB3 . LYS A 1 35 ? 17.760 3.565 -0.589 1.00 0.00 ? 35 LYS A HB3 31 ATOM 43161 H HG2 . LYS A 1 35 ? 16.408 5.183 0.210 1.00 0.00 ? 35 LYS A HG2 31 ATOM 43162 H HG3 . LYS A 1 35 ? 17.530 5.109 1.570 1.00 0.00 ? 35 LYS A HG3 31 ATOM 43163 H HD2 . LYS A 1 35 ? 18.141 7.221 1.234 1.00 0.00 ? 35 LYS A HD2 31 ATOM 43164 H HD3 . LYS A 1 35 ? 18.567 6.868 -0.441 1.00 0.00 ? 35 LYS A HD3 31 ATOM 43165 H HE2 . LYS A 1 35 ? 16.054 7.033 -0.914 1.00 0.00 ? 35 LYS A HE2 31 ATOM 43166 H HE3 . LYS A 1 35 ? 15.935 7.791 0.673 1.00 0.00 ? 35 LYS A HE3 31 ATOM 43167 H HZ1 . LYS A 1 35 ? 17.969 9.137 -0.502 1.00 0.00 ? 35 LYS A HZ1 31 ATOM 43168 H HZ2 . LYS A 1 35 ? 16.921 8.870 -1.801 1.00 0.00 ? 35 LYS A HZ2 31 ATOM 43169 H HZ3 . LYS A 1 35 ? 16.365 9.669 -0.419 1.00 0.00 ? 35 LYS A HZ3 31 ATOM 43170 N N . GLN A 1 36 ? 19.898 5.413 2.399 1.00 0.00 ? 36 GLN A N 31 ATOM 43171 C CA . GLN A 1 36 ? 20.502 6.515 3.137 1.00 0.00 ? 36 GLN A CA 31 ATOM 43172 C C . GLN A 1 36 ? 21.851 6.102 3.712 1.00 0.00 ? 36 GLN A C 31 ATOM 43173 O O . GLN A 1 36 ? 22.759 6.923 3.847 1.00 0.00 ? 36 GLN A O 31 ATOM 43174 C CB . GLN A 1 36 ? 19.574 6.977 4.261 1.00 0.00 ? 36 GLN A CB 31 ATOM 43175 C CG . GLN A 1 36 ? 18.522 7.978 3.811 1.00 0.00 ? 36 GLN A CG 31 ATOM 43176 C CD . GLN A 1 36 ? 18.516 9.237 4.655 1.00 0.00 ? 36 GLN A CD 31 ATOM 43177 O OE1 . GLN A 1 36 ? 18.187 9.202 5.840 1.00 0.00 ? 36 GLN A OE1 31 ATOM 43178 N NE2 . GLN A 1 36 ? 18.882 10.359 4.045 1.00 0.00 ? 36 GLN A NE2 31 ATOM 43179 H H . GLN A 1 36 ? 19.204 4.870 2.832 1.00 0.00 ? 36 GLN A H 31 ATOM 43180 H HA . GLN A 1 36 ? 20.652 7.332 2.447 1.00 0.00 ? 36 GLN A HA 31 ATOM 43181 H HB2 . GLN A 1 36 ? 19.068 6.116 4.672 1.00 0.00 ? 36 GLN A HB2 31 ATOM 43182 H HB3 . GLN A 1 36 ? 20.168 7.437 5.037 1.00 0.00 ? 36 GLN A HB3 31 ATOM 43183 H HG2 . GLN A 1 36 ? 18.720 8.251 2.785 1.00 0.00 ? 36 GLN A HG2 31 ATOM 43184 H HG3 . GLN A 1 36 ? 17.549 7.512 3.877 1.00 0.00 ? 36 GLN A HG3 31 ATOM 43185 H HE21 . GLN A 1 36 ? 19.132 10.312 3.099 1.00 0.00 ? 36 GLN A HE21 31 ATOM 43186 H HE22 . GLN A 1 36 ? 18.888 11.188 4.567 1.00 0.00 ? 36 GLN A HE22 31 ATOM 43187 N N . SER A 1 37 ? 21.978 4.822 4.048 1.00 0.00 ? 37 SER A N 31 ATOM 43188 C CA . SER A 1 37 ? 23.217 4.297 4.607 1.00 0.00 ? 37 SER A CA 31 ATOM 43189 C C . SER A 1 37 ? 24.271 4.126 3.518 1.00 0.00 ? 37 SER A C 31 ATOM 43190 O O . SER A 1 37 ? 25.471 4.172 3.789 1.00 0.00 ? 37 SER A O 31 ATOM 43191 C CB . SER A 1 37 ? 22.962 2.959 5.301 1.00 0.00 ? 37 SER A CB 31 ATOM 43192 O OG . SER A 1 37 ? 24.143 2.177 5.354 1.00 0.00 ? 37 SER A OG 31 ATOM 43193 H H . SER A 1 37 ? 21.218 4.216 3.915 1.00 0.00 ? 37 SER A H 31 ATOM 43194 H HA . SER A 1 37 ? 23.580 5.008 5.335 1.00 0.00 ? 37 SER A HA 31 ATOM 43195 H HB2 . SER A 1 37 ? 22.620 3.138 6.310 1.00 0.00 ? 37 SER A HB2 31 ATOM 43196 H HB3 . SER A 1 37 ? 22.206 2.411 4.757 1.00 0.00 ? 37 SER A HB3 31 ATOM 43197 H HG . SER A 1 37 ? 24.204 1.746 6.210 1.00 0.00 ? 37 SER A HG 31 ATOM 43198 N N . GLU A 1 38 ? 23.814 3.930 2.285 1.00 0.00 ? 38 GLU A N 31 ATOM 43199 C CA . GLU A 1 38 ? 24.717 3.755 1.155 1.00 0.00 ? 38 GLU A CA 31 ATOM 43200 C C . GLU A 1 38 ? 25.354 5.081 0.757 1.00 0.00 ? 38 GLU A C 31 ATOM 43201 O O . GLU A 1 38 ? 26.454 5.114 0.204 1.00 0.00 ? 38 GLU A O 31 ATOM 43202 C CB . GLU A 1 38 ? 23.967 3.158 -0.037 1.00 0.00 ? 38 GLU A CB 31 ATOM 43203 C CG . GLU A 1 38 ? 24.256 1.684 -0.263 1.00 0.00 ? 38 GLU A CG 31 ATOM 43204 C CD . GLU A 1 38 ? 25.605 1.446 -0.911 1.00 0.00 ? 38 GLU A CD 31 ATOM 43205 O OE1 . GLU A 1 38 ? 25.711 1.624 -2.143 1.00 0.00 ? 38 GLU A OE1 31 ATOM 43206 O OE2 . GLU A 1 38 ? 26.556 1.082 -0.188 1.00 0.00 ? 38 GLU A OE2 31 ATOM 43207 H H . GLU A 1 38 ? 22.846 3.905 2.132 1.00 0.00 ? 38 GLU A H 31 ATOM 43208 H HA . GLU A 1 38 ? 25.496 3.071 1.456 1.00 0.00 ? 38 GLU A HA 31 ATOM 43209 H HB2 . GLU A 1 38 ? 22.905 3.274 0.126 1.00 0.00 ? 38 GLU A HB2 31 ATOM 43210 H HB3 . GLU A 1 38 ? 24.245 3.699 -0.930 1.00 0.00 ? 38 GLU A HB3 31 ATOM 43211 H HG2 . GLU A 1 38 ? 24.238 1.176 0.691 1.00 0.00 ? 38 GLU A HG2 31 ATOM 43212 H HG3 . GLU A 1 38 ? 23.488 1.273 -0.902 1.00 0.00 ? 38 GLU A HG3 31 ATOM 43213 N N . ASP A 1 39 ? 24.656 6.176 1.044 1.00 0.00 ? 39 ASP A N 31 ATOM 43214 C CA . ASP A 1 39 ? 25.154 7.507 0.718 1.00 0.00 ? 39 ASP A CA 31 ATOM 43215 C C . ASP A 1 39 ? 26.210 7.954 1.724 1.00 0.00 ? 39 ASP A C 31 ATOM 43216 O O . ASP A 1 39 ? 27.067 8.780 1.412 1.00 0.00 ? 39 ASP A O 31 ATOM 43217 C CB . ASP A 1 39 ? 24.001 8.512 0.691 1.00 0.00 ? 39 ASP A CB 31 ATOM 43218 C CG . ASP A 1 39 ? 24.343 9.762 -0.096 1.00 0.00 ? 39 ASP A CG 31 ATOM 43219 O OD1 . ASP A 1 39 ? 25.443 9.811 -0.685 1.00 0.00 ? 39 ASP A OD1 31 ATOM 43220 O OD2 . ASP A 1 39 ? 23.509 10.693 -0.124 1.00 0.00 ? 39 ASP A OD2 31 ATOM 43221 H H . ASP A 1 39 ? 23.786 6.086 1.487 1.00 0.00 ? 39 ASP A H 31 ATOM 43222 H HA . ASP A 1 39 ? 25.603 7.462 -0.263 1.00 0.00 ? 39 ASP A HA 31 ATOM 43223 H HB2 . ASP A 1 39 ? 23.138 8.049 0.238 1.00 0.00 ? 39 ASP A HB2 31 ATOM 43224 H HB3 . ASP A 1 39 ? 23.760 8.802 1.704 1.00 0.00 ? 39 ASP A HB3 31 ATOM 43225 N N . ASP A 1 40 ? 26.141 7.402 2.931 1.00 0.00 ? 40 ASP A N 31 ATOM 43226 C CA . ASP A 1 40 ? 27.093 7.743 3.983 1.00 0.00 ? 40 ASP A CA 31 ATOM 43227 C C . ASP A 1 40 ? 26.908 9.188 4.435 1.00 0.00 ? 40 ASP A C 31 ATOM 43228 O O . ASP A 1 40 ? 26.307 9.998 3.730 1.00 0.00 ? 40 ASP A O 31 ATOM 43229 C CB . ASP A 1 40 ? 28.526 7.529 3.493 1.00 0.00 ? 40 ASP A CB 31 ATOM 43230 C CG . ASP A 1 40 ? 29.150 6.270 4.063 1.00 0.00 ? 40 ASP A CG 31 ATOM 43231 O OD1 . ASP A 1 40 ? 28.707 5.825 5.142 1.00 0.00 ? 40 ASP A OD1 31 ATOM 43232 O OD2 . ASP A 1 40 ? 30.082 5.731 3.430 1.00 0.00 ? 40 ASP A OD2 31 ATOM 43233 H H . ASP A 1 40 ? 25.435 6.749 3.119 1.00 0.00 ? 40 ASP A H 31 ATOM 43234 H HA . ASP A 1 40 ? 26.908 7.090 4.822 1.00 0.00 ? 40 ASP A HA 31 ATOM 43235 H HB2 . ASP A 1 40 ? 28.523 7.450 2.415 1.00 0.00 ? 40 ASP A HB2 31 ATOM 43236 H HB3 . ASP A 1 40 ? 29.131 8.374 3.786 1.00 0.00 ? 40 ASP A HB3 31 ATOM 43237 N N . ASP A 1 41 ? 27.431 9.503 5.615 1.00 0.00 ? 41 ASP A N 31 ATOM 43238 C CA . ASP A 1 41 ? 27.324 10.851 6.163 1.00 0.00 ? 41 ASP A CA 31 ATOM 43239 C C . ASP A 1 41 ? 25.880 11.341 6.127 1.00 0.00 ? 41 ASP A C 31 ATOM 43240 O O . ASP A 1 41 ? 24.977 10.503 5.916 1.00 0.00 ? 41 ASP A O 31 ATOM 43241 C CB . ASP A 1 41 ? 28.220 11.813 5.381 1.00 0.00 ? 41 ASP A CB 31 ATOM 43242 C CG . ASP A 1 41 ? 29.623 11.270 5.188 1.00 0.00 ? 41 ASP A CG 31 ATOM 43243 O OD1 . ASP A 1 41 ? 30.042 10.409 5.990 1.00 0.00 ? 41 ASP A OD1 31 ATOM 43244 O OD2 . ASP A 1 41 ? 30.302 11.706 4.234 1.00 0.00 ? 41 ASP A OD2 31 ATOM 43245 O OXT . ASP A 1 41 ? 25.664 12.557 6.311 1.00 0.00 ? 41 ASP A OXT 31 ATOM 43246 H H . ASP A 1 41 ? 27.899 8.814 6.131 1.00 0.00 ? 41 ASP A H 31 ATOM 43247 H HA . ASP A 1 41 ? 27.655 10.819 7.190 1.00 0.00 ? 41 ASP A HA 31 ATOM 43248 H HB2 . ASP A 1 41 ? 27.786 11.992 4.409 1.00 0.00 ? 41 ASP A HB2 31 ATOM 43249 H HB3 . ASP A 1 41 ? 28.287 12.749 5.918 1.00 0.00 ? 41 ASP A HB3 31 ATOM 43250 N N . ALA B 1 1 ? 35.532 -1.768 -0.033 1.00 0.00 ? 1 ALA B N 31 ATOM 43251 C CA . ALA B 1 1 ? 34.755 -2.842 -0.704 1.00 0.00 ? 1 ALA B CA 31 ATOM 43252 C C . ALA B 1 1 ? 33.590 -2.260 -1.497 1.00 0.00 ? 1 ALA B C 31 ATOM 43253 O O . ALA B 1 1 ? 33.196 -1.113 -1.290 1.00 0.00 ? 1 ALA B O 31 ATOM 43254 C CB . ALA B 1 1 ? 34.246 -3.843 0.323 1.00 0.00 ? 1 ALA B CB 31 ATOM 43255 H H1 . ALA B 1 1 ? 35.824 -1.085 -0.762 1.00 0.00 ? 1 ALA B H1 31 ATOM 43256 H H2 . ALA B 1 1 ? 34.911 -1.321 0.672 1.00 0.00 ? 1 ALA B H2 31 ATOM 43257 H H3 . ALA B 1 1 ? 36.358 -2.208 0.417 1.00 0.00 ? 1 ALA B H3 31 ATOM 43258 H HA . ALA B 1 1 ? 35.413 -3.364 -1.384 1.00 0.00 ? 1 ALA B HA 31 ATOM 43259 H HB1 . ALA B 1 1 ? 33.393 -4.369 -0.080 1.00 0.00 ? 1 ALA B HB1 31 ATOM 43260 H HB2 . ALA B 1 1 ? 33.954 -3.320 1.221 1.00 0.00 ? 1 ALA B HB2 31 ATOM 43261 H HB3 . ALA B 1 1 ? 35.029 -4.550 0.555 1.00 0.00 ? 1 ALA B HB3 31 ATOM 43262 N N . LEU B 1 2 ? 33.043 -3.060 -2.407 1.00 0.00 ? 2 LEU B N 31 ATOM 43263 C CA . LEU B 1 2 ? 31.923 -2.625 -3.232 1.00 0.00 ? 2 LEU B CA 31 ATOM 43264 C C . LEU B 1 2 ? 30.661 -3.415 -2.898 1.00 0.00 ? 2 LEU B C 31 ATOM 43265 O O . LEU B 1 2 ? 30.655 -4.644 -2.946 1.00 0.00 ? 2 LEU B O 31 ATOM 43266 C CB . LEU B 1 2 ? 32.261 -2.787 -4.717 1.00 0.00 ? 2 LEU B CB 31 ATOM 43267 C CG . LEU B 1 2 ? 31.858 -1.609 -5.605 1.00 0.00 ? 2 LEU B CG 31 ATOM 43268 C CD1 . LEU B 1 2 ? 32.668 -0.372 -5.250 1.00 0.00 ? 2 LEU B CD1 31 ATOM 43269 C CD2 . LEU B 1 2 ? 32.039 -1.965 -7.073 1.00 0.00 ? 2 LEU B CD2 31 ATOM 43270 H H . LEU B 1 2 ? 33.402 -3.965 -2.527 1.00 0.00 ? 2 LEU B H 31 ATOM 43271 H HA . LEU B 1 2 ? 31.745 -1.580 -3.026 1.00 0.00 ? 2 LEU B HA 31 ATOM 43272 H HB2 . LEU B 1 2 ? 33.328 -2.932 -4.806 1.00 0.00 ? 2 LEU B HB2 31 ATOM 43273 H HB3 . LEU B 1 2 ? 31.762 -3.672 -5.083 1.00 0.00 ? 2 LEU B HB3 31 ATOM 43274 H HG . LEU B 1 2 ? 30.814 -1.383 -5.440 1.00 0.00 ? 2 LEU B HG 31 ATOM 43275 H HD11 . LEU B 1 2 ? 33.141 -0.514 -4.290 1.00 0.00 ? 2 LEU B HD11 31 ATOM 43276 H HD12 . LEU B 1 2 ? 33.425 -0.209 -6.004 1.00 0.00 ? 2 LEU B HD12 31 ATOM 43277 H HD13 . LEU B 1 2 ? 32.014 0.486 -5.206 1.00 0.00 ? 2 LEU B HD13 31 ATOM 43278 H HD21 . LEU B 1 2 ? 32.533 -2.921 -7.153 1.00 0.00 ? 2 LEU B HD21 31 ATOM 43279 H HD22 . LEU B 1 2 ? 31.072 -2.018 -7.552 1.00 0.00 ? 2 LEU B HD22 31 ATOM 43280 H HD23 . LEU B 1 2 ? 32.639 -1.208 -7.556 1.00 0.00 ? 2 LEU B HD23 31 ATOM 43281 N N . LYS B 1 3 ? 29.594 -2.698 -2.558 1.00 0.00 ? 3 LYS B N 31 ATOM 43282 C CA . LYS B 1 3 ? 28.327 -3.332 -2.215 1.00 0.00 ? 3 LYS B CA 31 ATOM 43283 C C . LYS B 1 3 ? 27.411 -3.413 -3.433 1.00 0.00 ? 3 LYS B C 31 ATOM 43284 O O . LYS B 1 3 ? 26.949 -2.392 -3.942 1.00 0.00 ? 3 LYS B O 31 ATOM 43285 C CB . LYS B 1 3 ? 27.633 -2.560 -1.092 1.00 0.00 ? 3 LYS B CB 31 ATOM 43286 C CG . LYS B 1 3 ? 27.752 -3.227 0.269 1.00 0.00 ? 3 LYS B CG 31 ATOM 43287 C CD . LYS B 1 3 ? 29.151 -3.077 0.843 1.00 0.00 ? 3 LYS B CD 31 ATOM 43288 C CE . LYS B 1 3 ? 29.591 -4.335 1.575 1.00 0.00 ? 3 LYS B CE 31 ATOM 43289 N NZ . LYS B 1 3 ? 30.206 -5.328 0.652 1.00 0.00 ? 3 LYS B NZ 31 ATOM 43290 H H . LYS B 1 3 ? 29.661 -1.721 -2.537 1.00 0.00 ? 3 LYS B H 31 ATOM 43291 H HA . LYS B 1 3 ? 28.539 -4.334 -1.872 1.00 0.00 ? 3 LYS B HA 31 ATOM 43292 H HB2 . LYS B 1 3 ? 28.071 -1.574 -1.025 1.00 0.00 ? 3 LYS B HB2 31 ATOM 43293 H HB3 . LYS B 1 3 ? 26.584 -2.462 -1.331 1.00 0.00 ? 3 LYS B HB3 31 ATOM 43294 H HG2 . LYS B 1 3 ? 27.045 -2.770 0.946 1.00 0.00 ? 3 LYS B HG2 31 ATOM 43295 H HG3 . LYS B 1 3 ? 27.525 -4.278 0.164 1.00 0.00 ? 3 LYS B HG3 31 ATOM 43296 H HD2 . LYS B 1 3 ? 29.842 -2.882 0.036 1.00 0.00 ? 3 LYS B HD2 31 ATOM 43297 H HD3 . LYS B 1 3 ? 29.160 -2.247 1.534 1.00 0.00 ? 3 LYS B HD3 31 ATOM 43298 H HE2 . LYS B 1 3 ? 30.313 -4.063 2.330 1.00 0.00 ? 3 LYS B HE2 31 ATOM 43299 H HE3 . LYS B 1 3 ? 28.728 -4.781 2.046 1.00 0.00 ? 3 LYS B HE3 31 ATOM 43300 H HZ1 . LYS B 1 3 ? 29.774 -5.255 -0.292 1.00 0.00 ? 3 LYS B HZ1 31 ATOM 43301 H HZ2 . LYS B 1 3 ? 31.228 -5.153 0.567 1.00 0.00 ? 3 LYS B HZ2 31 ATOM 43302 H HZ3 . LYS B 1 3 ? 30.060 -6.292 1.014 1.00 0.00 ? 3 LYS B HZ3 31 ATOM 43303 N N . LYS B 1 4 ? 27.154 -4.632 -3.893 1.00 0.00 ? 4 LYS B N 31 ATOM 43304 C CA . LYS B 1 4 ? 26.293 -4.846 -5.051 1.00 0.00 ? 4 LYS B CA 31 ATOM 43305 C C . LYS B 1 4 ? 24.988 -5.519 -4.642 1.00 0.00 ? 4 LYS B C 31 ATOM 43306 O O . LYS B 1 4 ? 23.903 -5.064 -5.005 1.00 0.00 ? 4 LYS B O 31 ATOM 43307 C CB . LYS B 1 4 ? 27.014 -5.698 -6.097 1.00 0.00 ? 4 LYS B CB 31 ATOM 43308 C CG . LYS B 1 4 ? 26.849 -5.185 -7.519 1.00 0.00 ? 4 LYS B CG 31 ATOM 43309 C CD . LYS B 1 4 ? 27.183 -6.259 -8.541 1.00 0.00 ? 4 LYS B CD 31 ATOM 43310 C CE . LYS B 1 4 ? 27.194 -5.699 -9.954 1.00 0.00 ? 4 LYS B CE 31 ATOM 43311 N NZ . LYS B 1 4 ? 26.966 -6.760 -10.974 1.00 0.00 ? 4 LYS B NZ 31 ATOM 43312 H H . LYS B 1 4 ? 27.552 -5.407 -3.444 1.00 0.00 ? 4 LYS B H 31 ATOM 43313 H HA . LYS B 1 4 ? 26.069 -3.880 -5.480 1.00 0.00 ? 4 LYS B HA 31 ATOM 43314 H HB2 . LYS B 1 4 ? 28.068 -5.717 -5.865 1.00 0.00 ? 4 LYS B HB2 31 ATOM 43315 H HB3 . LYS B 1 4 ? 26.625 -6.705 -6.054 1.00 0.00 ? 4 LYS B HB3 31 ATOM 43316 H HG2 . LYS B 1 4 ? 25.826 -4.872 -7.661 1.00 0.00 ? 4 LYS B HG2 31 ATOM 43317 H HG3 . LYS B 1 4 ? 27.509 -4.343 -7.666 1.00 0.00 ? 4 LYS B HG3 31 ATOM 43318 H HD2 . LYS B 1 4 ? 28.159 -6.664 -8.318 1.00 0.00 ? 4 LYS B HD2 31 ATOM 43319 H HD3 . LYS B 1 4 ? 26.443 -7.044 -8.479 1.00 0.00 ? 4 LYS B HD3 31 ATOM 43320 H HE2 . LYS B 1 4 ? 26.414 -4.957 -10.040 1.00 0.00 ? 4 LYS B HE2 31 ATOM 43321 H HE3 . LYS B 1 4 ? 28.152 -5.235 -10.136 1.00 0.00 ? 4 LYS B HE3 31 ATOM 43322 H HZ1 . LYS B 1 4 ? 26.135 -7.330 -10.718 1.00 0.00 ? 4 LYS B HZ1 31 ATOM 43323 H HZ2 . LYS B 1 4 ? 26.805 -6.330 -11.907 1.00 0.00 ? 4 LYS B HZ2 31 ATOM 43324 H HZ3 . LYS B 1 4 ? 27.796 -7.385 -11.031 1.00 0.00 ? 4 LYS B HZ3 31 ATOM 43325 N N . HIS B 1 5 ? 25.100 -6.604 -3.883 1.00 0.00 ? 5 HIS B N 31 ATOM 43326 C CA . HIS B 1 5 ? 23.929 -7.341 -3.423 1.00 0.00 ? 5 HIS B CA 31 ATOM 43327 C C . HIS B 1 5 ? 23.012 -6.444 -2.598 1.00 0.00 ? 5 HIS B C 31 ATOM 43328 O O . HIS B 1 5 ? 21.798 -6.649 -2.556 1.00 0.00 ? 5 HIS B O 31 ATOM 43329 C CB . HIS B 1 5 ? 24.355 -8.553 -2.595 1.00 0.00 ? 5 HIS B CB 31 ATOM 43330 C CG . HIS B 1 5 ? 25.448 -8.255 -1.617 1.00 0.00 ? 5 HIS B CG 31 ATOM 43331 N ND1 . HIS B 1 5 ? 26.774 -8.552 -1.855 1.00 0.00 ? 5 HIS B ND1 31 ATOM 43332 C CD2 . HIS B 1 5 ? 25.408 -7.682 -0.390 1.00 0.00 ? 5 HIS B CD2 31 ATOM 43333 C CE1 . HIS B 1 5 ? 27.501 -8.176 -0.817 1.00 0.00 ? 5 HIS B CE1 31 ATOM 43334 N NE2 . HIS B 1 5 ? 26.696 -7.644 0.083 1.00 0.00 ? 5 HIS B NE2 31 ATOM 43335 H H . HIS B 1 5 ? 25.992 -6.917 -3.626 1.00 0.00 ? 5 HIS B H 31 ATOM 43336 H HA . HIS B 1 5 ? 23.389 -7.682 -4.295 1.00 0.00 ? 5 HIS B HA 31 ATOM 43337 H HB2 . HIS B 1 5 ? 23.504 -8.920 -2.041 1.00 0.00 ? 5 HIS B HB2 31 ATOM 43338 H HB3 . HIS B 1 5 ? 24.705 -9.330 -3.260 1.00 0.00 ? 5 HIS B HB3 31 ATOM 43339 H HD1 . HIS B 1 5 ? 27.130 -8.977 -2.663 1.00 0.00 ? 5 HIS B HD1 31 ATOM 43340 H HD2 . HIS B 1 5 ? 24.526 -7.321 0.120 1.00 0.00 ? 5 HIS B HD2 31 ATOM 43341 H HE1 . HIS B 1 5 ? 28.571 -8.282 -0.723 1.00 0.00 ? 5 HIS B HE1 31 ATOM 43342 H HE2 . HIS B 1 5 ? 26.975 -7.281 0.950 1.00 0.00 ? 5 HIS B HE2 31 ATOM 43343 N N . HIS B 1 6 ? 23.600 -5.450 -1.941 1.00 0.00 ? 6 HIS B N 31 ATOM 43344 C CA . HIS B 1 6 ? 22.836 -4.521 -1.114 1.00 0.00 ? 6 HIS B CA 31 ATOM 43345 C C . HIS B 1 6 ? 21.965 -3.615 -1.977 1.00 0.00 ? 6 HIS B C 31 ATOM 43346 O O . HIS B 1 6 ? 20.804 -3.368 -1.656 1.00 0.00 ? 6 HIS B O 31 ATOM 43347 C CB . HIS B 1 6 ? 23.777 -3.677 -0.255 1.00 0.00 ? 6 HIS B CB 31 ATOM 43348 C CG . HIS B 1 6 ? 23.629 -3.925 1.214 1.00 0.00 ? 6 HIS B CG 31 ATOM 43349 N ND1 . HIS B 1 6 ? 23.216 -5.132 1.737 1.00 0.00 ? 6 HIS B ND1 31 ATOM 43350 C CD2 . HIS B 1 6 ? 23.843 -3.112 2.277 1.00 0.00 ? 6 HIS B CD2 31 ATOM 43351 C CE1 . HIS B 1 6 ? 23.181 -5.052 3.055 1.00 0.00 ? 6 HIS B CE1 31 ATOM 43352 N NE2 . HIS B 1 6 ? 23.558 -3.836 3.407 1.00 0.00 ? 6 HIS B NE2 31 ATOM 43353 H H . HIS B 1 6 ? 24.570 -5.337 -2.013 1.00 0.00 ? 6 HIS B H 31 ATOM 43354 H HA . HIS B 1 6 ? 22.197 -5.103 -0.468 1.00 0.00 ? 6 HIS B HA 31 ATOM 43355 H HB2 . HIS B 1 6 ? 24.798 -3.898 -0.527 1.00 0.00 ? 6 HIS B HB2 31 ATOM 43356 H HB3 . HIS B 1 6 ? 23.580 -2.631 -0.438 1.00 0.00 ? 6 HIS B HB3 31 ATOM 43357 H HD1 . HIS B 1 6 ? 22.983 -5.930 1.218 1.00 0.00 ? 6 HIS B HD1 31 ATOM 43358 H HD2 . HIS B 1 6 ? 24.176 -2.084 2.240 1.00 0.00 ? 6 HIS B HD2 31 ATOM 43359 H HE1 . HIS B 1 6 ? 22.895 -5.844 3.730 1.00 0.00 ? 6 HIS B HE1 31 ATOM 43360 H HE2 . HIS B 1 6 ? 23.622 -3.507 4.327 1.00 0.00 ? 6 HIS B HE2 31 ATOM 43361 N N . GLU B 1 7 ? 22.532 -3.122 -3.074 1.00 0.00 ? 7 GLU B N 31 ATOM 43362 C CA . GLU B 1 7 ? 21.801 -2.243 -3.980 1.00 0.00 ? 7 GLU B CA 31 ATOM 43363 C C . GLU B 1 7 ? 20.657 -2.991 -4.653 1.00 0.00 ? 7 GLU B C 31 ATOM 43364 O O . GLU B 1 7 ? 19.624 -2.405 -4.976 1.00 0.00 ? 7 GLU B O 31 ATOM 43365 C CB . GLU B 1 7 ? 22.743 -1.665 -5.037 1.00 0.00 ? 7 GLU B CB 31 ATOM 43366 C CG . GLU B 1 7 ? 23.788 -0.717 -4.469 1.00 0.00 ? 7 GLU B CG 31 ATOM 43367 C CD . GLU B 1 7 ? 23.457 0.739 -4.728 1.00 0.00 ? 7 GLU B CD 31 ATOM 43368 O OE1 . GLU B 1 7 ? 22.272 1.112 -4.595 1.00 0.00 ? 7 GLU B OE1 31 ATOM 43369 O OE2 . GLU B 1 7 ? 24.383 1.507 -5.064 1.00 0.00 ? 7 GLU B OE2 31 ATOM 43370 H H . GLU B 1 7 ? 23.462 -3.353 -3.278 1.00 0.00 ? 7 GLU B H 31 ATOM 43371 H HA . GLU B 1 7 ? 21.389 -1.434 -3.394 1.00 0.00 ? 7 GLU B HA 31 ATOM 43372 H HB2 . GLU B 1 7 ? 23.256 -2.478 -5.530 1.00 0.00 ? 7 GLU B HB2 31 ATOM 43373 H HB3 . GLU B 1 7 ? 22.158 -1.124 -5.767 1.00 0.00 ? 7 GLU B HB3 31 ATOM 43374 H HG2 . GLU B 1 7 ? 23.852 -0.872 -3.402 1.00 0.00 ? 7 GLU B HG2 31 ATOM 43375 H HG3 . GLU B 1 7 ? 24.742 -0.942 -4.923 1.00 0.00 ? 7 GLU B HG3 31 ATOM 43376 N N . ASN B 1 8 ? 20.844 -4.290 -4.854 1.00 0.00 ? 8 ASN B N 31 ATOM 43377 C CA . ASN B 1 8 ? 19.822 -5.118 -5.479 1.00 0.00 ? 8 ASN B CA 31 ATOM 43378 C C . ASN B 1 8 ? 18.625 -5.275 -4.549 1.00 0.00 ? 8 ASN B C 31 ATOM 43379 O O . ASN B 1 8 ? 17.474 -5.129 -4.965 1.00 0.00 ? 8 ASN B O 31 ATOM 43380 C CB . ASN B 1 8 ? 20.392 -6.492 -5.837 1.00 0.00 ? 8 ASN B CB 31 ATOM 43381 C CG . ASN B 1 8 ? 19.673 -7.130 -7.008 1.00 0.00 ? 8 ASN B CG 31 ATOM 43382 O OD1 . ASN B 1 8 ? 19.252 -6.445 -7.941 1.00 0.00 ? 8 ASN B OD1 31 ATOM 43383 N ND2 . ASN B 1 8 ? 19.526 -8.449 -6.966 1.00 0.00 ? 8 ASN B ND2 31 ATOM 43384 H H . ASN B 1 8 ? 21.686 -4.702 -4.568 1.00 0.00 ? 8 ASN B H 31 ATOM 43385 H HA . ASN B 1 8 ? 19.499 -4.623 -6.383 1.00 0.00 ? 8 ASN B HA 31 ATOM 43386 H HB2 . ASN B 1 8 ? 21.435 -6.385 -6.095 1.00 0.00 ? 8 ASN B HB2 31 ATOM 43387 H HB3 . ASN B 1 8 ? 20.302 -7.145 -4.982 1.00 0.00 ? 8 ASN B HB3 31 ATOM 43388 H HD21 . ASN B 1 8 ? 19.886 -8.930 -6.192 1.00 0.00 ? 8 ASN B HD21 31 ATOM 43389 H HD22 . ASN B 1 8 ? 19.064 -8.888 -7.711 1.00 0.00 ? 8 ASN B HD22 31 ATOM 43390 N N . GLU B 1 9 ? 18.907 -5.567 -3.283 1.00 0.00 ? 9 GLU B N 31 ATOM 43391 C CA . GLU B 1 9 ? 17.857 -5.737 -2.289 1.00 0.00 ? 9 GLU B CA 31 ATOM 43392 C C . GLU B 1 9 ? 17.028 -4.468 -2.167 1.00 0.00 ? 9 GLU B C 31 ATOM 43393 O O . GLU B 1 9 ? 15.798 -4.523 -2.130 1.00 0.00 ? 9 GLU B O 31 ATOM 43394 C CB . GLU B 1 9 ? 18.459 -6.106 -0.932 1.00 0.00 ? 9 GLU B CB 31 ATOM 43395 C CG . GLU B 1 9 ? 17.738 -7.249 -0.238 1.00 0.00 ? 9 GLU B CG 31 ATOM 43396 C CD . GLU B 1 9 ? 18.681 -8.141 0.547 1.00 0.00 ? 9 GLU B CD 31 ATOM 43397 O OE1 . GLU B 1 9 ? 19.558 -7.602 1.254 1.00 0.00 ? 9 GLU B OE1 31 ATOM 43398 O OE2 . GLU B 1 9 ? 18.542 -9.379 0.455 1.00 0.00 ? 9 GLU B OE2 31 ATOM 43399 H H . GLU B 1 9 ? 19.843 -5.665 -3.011 1.00 0.00 ? 9 GLU B H 31 ATOM 43400 H HA . GLU B 1 9 ? 17.213 -6.537 -2.621 1.00 0.00 ? 9 GLU B HA 31 ATOM 43401 H HB2 . GLU B 1 9 ? 19.490 -6.392 -1.075 1.00 0.00 ? 9 GLU B HB2 31 ATOM 43402 H HB3 . GLU B 1 9 ? 18.421 -5.240 -0.287 1.00 0.00 ? 9 GLU B HB3 31 ATOM 43403 H HG2 . GLU B 1 9 ? 17.008 -6.838 0.443 1.00 0.00 ? 9 GLU B HG2 31 ATOM 43404 H HG3 . GLU B 1 9 ? 17.237 -7.848 -0.984 1.00 0.00 ? 9 GLU B HG3 31 ATOM 43405 N N . ILE B 1 10 ? 17.699 -3.323 -2.114 1.00 0.00 ? 10 ILE B N 31 ATOM 43406 C CA . ILE B 1 10 ? 16.999 -2.055 -2.010 1.00 0.00 ? 10 ILE B CA 31 ATOM 43407 C C . ILE B 1 10 ? 16.275 -1.735 -3.312 1.00 0.00 ? 10 ILE B C 31 ATOM 43408 O O . ILE B 1 10 ? 15.315 -0.977 -3.325 1.00 0.00 ? 10 ILE B O 31 ATOM 43409 C CB . ILE B 1 10 ? 17.941 -0.896 -1.630 1.00 0.00 ? 10 ILE B CB 31 ATOM 43410 C CG1 . ILE B 1 10 ? 18.884 -0.546 -2.779 1.00 0.00 ? 10 ILE B CG1 31 ATOM 43411 C CG2 . ILE B 1 10 ? 18.739 -1.255 -0.389 1.00 0.00 ? 10 ILE B CG2 31 ATOM 43412 C CD1 . ILE B 1 10 ? 19.840 0.575 -2.433 1.00 0.00 ? 10 ILE B CD1 31 ATOM 43413 H H . ILE B 1 10 ? 18.679 -3.332 -2.156 1.00 0.00 ? 10 ILE B H 31 ATOM 43414 H HA . ILE B 1 10 ? 16.262 -2.156 -1.227 1.00 0.00 ? 10 ILE B HA 31 ATOM 43415 H HB . ILE B 1 10 ? 17.334 -0.034 -1.397 1.00 0.00 ? 10 ILE B HB 31 ATOM 43416 H HG12 . ILE B 1 10 ? 19.470 -1.415 -3.036 1.00 0.00 ? 10 ILE B HG12 31 ATOM 43417 H HG13 . ILE B 1 10 ? 18.303 -0.239 -3.636 1.00 0.00 ? 10 ILE B HG13 31 ATOM 43418 H HG21 . ILE B 1 10 ? 18.061 -1.491 0.418 1.00 0.00 ? 10 ILE B HG21 31 ATOM 43419 H HG22 . ILE B 1 10 ? 19.364 -2.110 -0.597 1.00 0.00 ? 10 ILE B HG22 31 ATOM 43420 H HG23 . ILE B 1 10 ? 19.357 -0.416 -0.106 1.00 0.00 ? 10 ILE B HG23 31 ATOM 43421 H HD11 . ILE B 1 10 ? 19.644 0.916 -1.425 1.00 0.00 ? 10 ILE B HD11 31 ATOM 43422 H HD12 . ILE B 1 10 ? 20.856 0.216 -2.500 1.00 0.00 ? 10 ILE B HD12 31 ATOM 43423 H HD13 . ILE B 1 10 ? 19.700 1.394 -3.125 1.00 0.00 ? 10 ILE B HD13 31 ATOM 43424 N N . SER B 1 11 ? 16.719 -2.338 -4.406 1.00 0.00 ? 11 SER B N 31 ATOM 43425 C CA . SER B 1 11 ? 16.072 -2.118 -5.689 1.00 0.00 ? 11 SER B CA 31 ATOM 43426 C C . SER B 1 11 ? 14.660 -2.687 -5.646 1.00 0.00 ? 11 SER B C 31 ATOM 43427 O O . SER B 1 11 ? 13.709 -2.080 -6.148 1.00 0.00 ? 11 SER B O 31 ATOM 43428 C CB . SER B 1 11 ? 16.872 -2.769 -6.817 1.00 0.00 ? 11 SER B CB 31 ATOM 43429 O OG . SER B 1 11 ? 16.605 -2.144 -8.060 1.00 0.00 ? 11 SER B OG 31 ATOM 43430 H H . SER B 1 11 ? 17.478 -2.954 -4.348 1.00 0.00 ? 11 SER B H 31 ATOM 43431 H HA . SER B 1 11 ? 16.014 -1.052 -5.857 1.00 0.00 ? 11 SER B HA 31 ATOM 43432 H HB2 . SER B 1 11 ? 17.927 -2.681 -6.605 1.00 0.00 ? 11 SER B HB2 31 ATOM 43433 H HB3 . SER B 1 11 ? 16.606 -3.814 -6.889 1.00 0.00 ? 11 SER B HB3 31 ATOM 43434 H HG . SER B 1 11 ? 16.873 -1.223 -8.020 1.00 0.00 ? 11 SER B HG 31 ATOM 43435 N N . HIS B 1 12 ? 14.529 -3.854 -5.019 1.00 0.00 ? 12 HIS B N 31 ATOM 43436 C CA . HIS B 1 12 ? 13.237 -4.506 -4.887 1.00 0.00 ? 12 HIS B CA 31 ATOM 43437 C C . HIS B 1 12 ? 12.371 -3.747 -3.874 1.00 0.00 ? 12 HIS B C 31 ATOM 43438 O O . HIS B 1 12 ? 11.151 -3.678 -4.019 1.00 0.00 ? 12 HIS B O 31 ATOM 43439 C CB . HIS B 1 12 ? 13.442 -5.990 -4.501 1.00 0.00 ? 12 HIS B CB 31 ATOM 43440 C CG . HIS B 1 12 ? 12.536 -6.517 -3.424 1.00 0.00 ? 12 HIS B CG 31 ATOM 43441 N ND1 . HIS B 1 12 ? 11.309 -7.093 -3.681 1.00 0.00 ? 12 HIS B ND1 31 ATOM 43442 C CD2 . HIS B 1 12 ? 12.692 -6.550 -2.081 1.00 0.00 ? 12 HIS B CD2 31 ATOM 43443 C CE1 . HIS B 1 12 ? 10.749 -7.456 -2.540 1.00 0.00 ? 12 HIS B CE1 31 ATOM 43444 N NE2 . HIS B 1 12 ? 11.569 -7.138 -1.556 1.00 0.00 ? 12 HIS B NE2 31 ATOM 43445 H H . HIS B 1 12 ? 15.323 -4.282 -4.624 1.00 0.00 ? 12 HIS B H 31 ATOM 43446 H HA . HIS B 1 12 ? 12.750 -4.459 -5.851 1.00 0.00 ? 12 HIS B HA 31 ATOM 43447 H HB2 . HIS B 1 12 ? 13.286 -6.598 -5.378 1.00 0.00 ? 12 HIS B HB2 31 ATOM 43448 H HB3 . HIS B 1 12 ? 14.461 -6.120 -4.167 1.00 0.00 ? 12 HIS B HB3 31 ATOM 43449 H HD1 . HIS B 1 12 ? 10.908 -7.216 -4.567 1.00 0.00 ? 12 HIS B HD1 31 ATOM 43450 H HD2 . HIS B 1 12 ? 13.544 -6.181 -1.528 1.00 0.00 ? 12 HIS B HD2 31 ATOM 43451 H HE1 . HIS B 1 12 ? 9.787 -7.934 -2.433 1.00 0.00 ? 12 HIS B HE1 31 ATOM 43452 H HE2 . HIS B 1 12 ? 11.400 -7.298 -0.604 1.00 0.00 ? 12 HIS B HE2 31 ATOM 43453 N N . HIS B 1 13 ? 13.011 -3.176 -2.855 1.00 0.00 ? 13 HIS B N 31 ATOM 43454 C CA . HIS B 1 13 ? 12.288 -2.423 -1.837 1.00 0.00 ? 13 HIS B CA 31 ATOM 43455 C C . HIS B 1 13 ? 11.681 -1.161 -2.427 1.00 0.00 ? 13 HIS B C 31 ATOM 43456 O O . HIS B 1 13 ? 10.630 -0.712 -1.987 1.00 0.00 ? 13 HIS B O 31 ATOM 43457 C CB . HIS B 1 13 ? 13.208 -2.038 -0.683 1.00 0.00 ? 13 HIS B CB 31 ATOM 43458 C CG . HIS B 1 13 ? 13.903 -3.192 -0.045 1.00 0.00 ? 13 HIS B CG 31 ATOM 43459 N ND1 . HIS B 1 13 ? 13.390 -4.471 -0.016 1.00 0.00 ? 13 HIS B ND1 31 ATOM 43460 C CD2 . HIS B 1 13 ? 15.086 -3.246 0.598 1.00 0.00 ? 13 HIS B CD2 31 ATOM 43461 C CE1 . HIS B 1 13 ? 14.233 -5.265 0.621 1.00 0.00 ? 13 HIS B CE1 31 ATOM 43462 N NE2 . HIS B 1 13 ? 15.271 -4.544 1.004 1.00 0.00 ? 13 HIS B NE2 31 ATOM 43463 H H . HIS B 1 13 ? 13.986 -3.258 -2.788 1.00 0.00 ? 13 HIS B H 31 ATOM 43464 H HA . HIS B 1 13 ? 11.494 -3.050 -1.460 1.00 0.00 ? 13 HIS B HA 31 ATOM 43465 H HB2 . HIS B 1 13 ? 13.964 -1.360 -1.048 1.00 0.00 ? 13 HIS B HB2 31 ATOM 43466 H HB3 . HIS B 1 13 ? 12.625 -1.540 0.079 1.00 0.00 ? 13 HIS B HB3 31 ATOM 43467 H HD1 . HIS B 1 13 ? 12.536 -4.756 -0.405 1.00 0.00 ? 13 HIS B HD1 31 ATOM 43468 H HD2 . HIS B 1 13 ? 15.756 -2.416 0.758 1.00 0.00 ? 13 HIS B HD2 31 ATOM 43469 H HE1 . HIS B 1 13 ? 14.097 -6.321 0.799 1.00 0.00 ? 13 HIS B HE1 31 ATOM 43470 H HE2 . HIS B 1 13 ? 16.047 -4.883 1.498 1.00 0.00 ? 13 HIS B HE2 31 ATOM 43471 N N . ALA B 1 14 ? 12.352 -0.589 -3.423 1.00 0.00 ? 14 ALA B N 31 ATOM 43472 C CA . ALA B 1 14 ? 11.864 0.623 -4.064 1.00 0.00 ? 14 ALA B CA 31 ATOM 43473 C C . ALA B 1 14 ? 10.614 0.318 -4.867 1.00 0.00 ? 14 ALA B C 31 ATOM 43474 O O . ALA B 1 14 ? 9.575 0.952 -4.682 1.00 0.00 ? 14 ALA B O 31 ATOM 43475 C CB . ALA B 1 14 ? 12.940 1.229 -4.953 1.00 0.00 ? 14 ALA B CB 31 ATOM 43476 H H . ALA B 1 14 ? 13.190 -0.992 -3.733 1.00 0.00 ? 14 ALA B H 31 ATOM 43477 H HA . ALA B 1 14 ? 11.617 1.338 -3.288 1.00 0.00 ? 14 ALA B HA 31 ATOM 43478 H HB1 . ALA B 1 14 ? 13.763 0.536 -5.046 1.00 0.00 ? 14 ALA B HB1 31 ATOM 43479 H HB2 . ALA B 1 14 ? 13.295 2.150 -4.512 1.00 0.00 ? 14 ALA B HB2 31 ATOM 43480 H HB3 . ALA B 1 14 ? 12.527 1.434 -5.929 1.00 0.00 ? 14 ALA B HB3 31 ATOM 43481 N N . LYS B 1 15 ? 10.710 -0.674 -5.743 1.00 0.00 ? 15 LYS B N 31 ATOM 43482 C CA . LYS B 1 15 ? 9.568 -1.074 -6.548 1.00 0.00 ? 15 LYS B CA 31 ATOM 43483 C C . LYS B 1 15 ? 8.468 -1.654 -5.658 1.00 0.00 ? 15 LYS B C 31 ATOM 43484 O O . LYS B 1 15 ? 7.321 -1.790 -6.083 1.00 0.00 ? 15 LYS B O 31 ATOM 43485 C CB . LYS B 1 15 ? 9.987 -2.100 -7.602 1.00 0.00 ? 15 LYS B CB 31 ATOM 43486 C CG . LYS B 1 15 ? 10.152 -1.510 -8.993 1.00 0.00 ? 15 LYS B CG 31 ATOM 43487 C CD . LYS B 1 15 ? 8.975 -1.859 -9.889 1.00 0.00 ? 15 LYS B CD 31 ATOM 43488 C CE . LYS B 1 15 ? 9.064 -1.144 -11.228 1.00 0.00 ? 15 LYS B CE 31 ATOM 43489 N NZ . LYS B 1 15 ? 8.312 -1.863 -12.293 1.00 0.00 ? 15 LYS B NZ 31 ATOM 43490 H H . LYS B 1 15 ? 11.560 -1.158 -5.835 1.00 0.00 ? 15 LYS B H 31 ATOM 43491 H HA . LYS B 1 15 ? 9.185 -0.194 -7.042 1.00 0.00 ? 15 LYS B HA 31 ATOM 43492 H HB2 . LYS B 1 15 ? 10.929 -2.538 -7.307 1.00 0.00 ? 15 LYS B HB2 31 ATOM 43493 H HB3 . LYS B 1 15 ? 9.238 -2.876 -7.650 1.00 0.00 ? 15 LYS B HB3 31 ATOM 43494 H HG2 . LYS B 1 15 ? 10.223 -0.435 -8.912 1.00 0.00 ? 15 LYS B HG2 31 ATOM 43495 H HG3 . LYS B 1 15 ? 11.058 -1.900 -9.434 1.00 0.00 ? 15 LYS B HG3 31 ATOM 43496 H HD2 . LYS B 1 15 ? 8.970 -2.924 -10.062 1.00 0.00 ? 15 LYS B HD2 31 ATOM 43497 H HD3 . LYS B 1 15 ? 8.060 -1.568 -9.396 1.00 0.00 ? 15 LYS B HD3 31 ATOM 43498 H HE2 . LYS B 1 15 ? 8.655 -0.150 -11.120 1.00 0.00 ? 15 LYS B HE2 31 ATOM 43499 H HE3 . LYS B 1 15 ? 10.102 -1.074 -11.516 1.00 0.00 ? 15 LYS B HE3 31 ATOM 43500 H HZ1 . LYS B 1 15 ? 8.019 -2.802 -11.953 1.00 0.00 ? 15 LYS B HZ1 31 ATOM 43501 H HZ2 . LYS B 1 15 ? 7.464 -1.322 -12.559 1.00 0.00 ? 15 LYS B HZ2 31 ATOM 43502 H HZ3 . LYS B 1 15 ? 8.909 -1.983 -13.135 1.00 0.00 ? 15 LYS B HZ3 31 ATOM 43503 N N . GLU B 1 16 ? 8.826 -1.993 -4.416 1.00 0.00 ? 16 GLU B N 31 ATOM 43504 C CA . GLU B 1 16 ? 7.871 -2.551 -3.470 1.00 0.00 ? 16 GLU B CA 31 ATOM 43505 C C . GLU B 1 16 ? 7.063 -1.447 -2.795 1.00 0.00 ? 16 GLU B C 31 ATOM 43506 O O . GLU B 1 16 ? 5.869 -1.610 -2.549 1.00 0.00 ? 16 GLU B O 31 ATOM 43507 C CB . GLU B 1 16 ? 8.594 -3.390 -2.416 1.00 0.00 ? 16 GLU B CB 31 ATOM 43508 C CG . GLU B 1 16 ? 7.662 -4.248 -1.576 1.00 0.00 ? 16 GLU B CG 31 ATOM 43509 C CD . GLU B 1 16 ? 6.626 -4.974 -2.411 1.00 0.00 ? 16 GLU B CD 31 ATOM 43510 O OE1 . GLU B 1 16 ? 6.986 -5.486 -3.492 1.00 0.00 ? 16 GLU B OE1 31 ATOM 43511 O OE2 . GLU B 1 16 ? 5.453 -5.032 -1.985 1.00 0.00 ? 16 GLU B OE2 31 ATOM 43512 H H . GLU B 1 16 ? 9.752 -1.863 -4.128 1.00 0.00 ? 16 GLU B H 31 ATOM 43513 H HA . GLU B 1 16 ? 7.194 -3.187 -4.021 1.00 0.00 ? 16 GLU B HA 31 ATOM 43514 H HB2 . GLU B 1 16 ? 9.299 -4.041 -2.912 1.00 0.00 ? 16 GLU B HB2 31 ATOM 43515 H HB3 . GLU B 1 16 ? 9.133 -2.729 -1.754 1.00 0.00 ? 16 GLU B HB3 31 ATOM 43516 H HG2 . GLU B 1 16 ? 8.249 -4.981 -1.044 1.00 0.00 ? 16 GLU B HG2 31 ATOM 43517 H HG3 . GLU B 1 16 ? 7.151 -3.614 -0.867 1.00 0.00 ? 16 GLU B HG3 31 ATOM 43518 N N . ILE B 1 17 ? 7.715 -0.324 -2.493 1.00 0.00 ? 17 ILE B N 31 ATOM 43519 C CA . ILE B 1 17 ? 7.031 0.790 -1.849 1.00 0.00 ? 17 ILE B CA 31 ATOM 43520 C C . ILE B 1 17 ? 6.109 1.506 -2.838 1.00 0.00 ? 17 ILE B C 31 ATOM 43521 O O . ILE B 1 17 ? 5.013 1.941 -2.481 1.00 0.00 ? 17 ILE B O 31 ATOM 43522 C CB . ILE B 1 17 ? 8.044 1.788 -1.222 1.00 0.00 ? 17 ILE B CB 31 ATOM 43523 C CG1 . ILE B 1 17 ? 8.587 2.783 -2.258 1.00 0.00 ? 17 ILE B CG1 31 ATOM 43524 C CG2 . ILE B 1 17 ? 9.192 1.033 -0.580 1.00 0.00 ? 17 ILE B CG2 31 ATOM 43525 C CD1 . ILE B 1 17 ? 7.719 4.010 -2.430 1.00 0.00 ? 17 ILE B CD1 31 ATOM 43526 H H . ILE B 1 17 ? 8.672 -0.242 -2.708 1.00 0.00 ? 17 ILE B H 31 ATOM 43527 H HA . ILE B 1 17 ? 6.423 0.385 -1.051 1.00 0.00 ? 17 ILE B HA 31 ATOM 43528 H HB . ILE B 1 17 ? 7.536 2.331 -0.439 1.00 0.00 ? 17 ILE B HB 31 ATOM 43529 H HG12 . ILE B 1 17 ? 9.568 3.112 -1.951 1.00 0.00 ? 17 ILE B HG12 31 ATOM 43530 H HG13 . ILE B 1 17 ? 8.660 2.290 -3.216 1.00 0.00 ? 17 ILE B HG13 31 ATOM 43531 H HG21 . ILE B 1 17 ? 8.999 -0.028 -0.627 1.00 0.00 ? 17 ILE B HG21 31 ATOM 43532 H HG22 . ILE B 1 17 ? 10.108 1.256 -1.105 1.00 0.00 ? 17 ILE B HG22 31 ATOM 43533 H HG23 . ILE B 1 17 ? 9.285 1.336 0.449 1.00 0.00 ? 17 ILE B HG23 31 ATOM 43534 H HD11 . ILE B 1 17 ? 6.716 3.793 -2.093 1.00 0.00 ? 17 ILE B HD11 31 ATOM 43535 H HD12 . ILE B 1 17 ? 8.125 4.823 -1.846 1.00 0.00 ? 17 ILE B HD12 31 ATOM 43536 H HD13 . ILE B 1 17 ? 7.695 4.292 -3.473 1.00 0.00 ? 17 ILE B HD13 31 ATOM 43537 N N . GLU B 1 18 ? 6.561 1.614 -4.085 1.00 0.00 ? 18 GLU B N 31 ATOM 43538 C CA . GLU B 1 18 ? 5.777 2.266 -5.126 1.00 0.00 ? 18 GLU B CA 31 ATOM 43539 C C . GLU B 1 18 ? 4.639 1.363 -5.585 1.00 0.00 ? 18 GLU B C 31 ATOM 43540 O O . GLU B 1 18 ? 3.546 1.833 -5.901 1.00 0.00 ? 18 GLU B O 31 ATOM 43541 C CB . GLU B 1 18 ? 6.669 2.629 -6.315 1.00 0.00 ? 18 GLU B CB 31 ATOM 43542 C CG . GLU B 1 18 ? 6.447 4.041 -6.834 1.00 0.00 ? 18 GLU B CG 31 ATOM 43543 C CD . GLU B 1 18 ? 7.447 4.434 -7.902 1.00 0.00 ? 18 GLU B CD 31 ATOM 43544 O OE1 . GLU B 1 18 ? 8.603 3.962 -7.836 1.00 0.00 ? 18 GLU B OE1 31 ATOM 43545 O OE2 . GLU B 1 18 ? 7.078 5.213 -8.805 1.00 0.00 ? 18 GLU B OE2 31 ATOM 43546 H H . GLU B 1 18 ? 7.439 1.241 -4.312 1.00 0.00 ? 18 GLU B H 31 ATOM 43547 H HA . GLU B 1 18 ? 5.359 3.171 -4.709 1.00 0.00 ? 18 GLU B HA 31 ATOM 43548 H HB2 . GLU B 1 18 ? 7.703 2.538 -6.016 1.00 0.00 ? 18 GLU B HB2 31 ATOM 43549 H HB3 . GLU B 1 18 ? 6.473 1.938 -7.121 1.00 0.00 ? 18 GLU B HB3 31 ATOM 43550 H HG2 . GLU B 1 18 ? 5.453 4.104 -7.252 1.00 0.00 ? 18 GLU B HG2 31 ATOM 43551 H HG3 . GLU B 1 18 ? 6.533 4.731 -6.008 1.00 0.00 ? 18 GLU B HG3 31 ATOM 43552 N N . ARG B 1 19 ? 4.903 0.060 -5.614 1.00 0.00 ? 19 ARG B N 31 ATOM 43553 C CA . ARG B 1 19 ? 3.902 -0.911 -6.030 1.00 0.00 ? 19 ARG B CA 31 ATOM 43554 C C . ARG B 1 19 ? 2.815 -1.051 -4.971 1.00 0.00 ? 19 ARG B C 31 ATOM 43555 O O . ARG B 1 19 ? 1.647 -1.279 -5.292 1.00 0.00 ? 19 ARG B O 31 ATOM 43556 C CB . ARG B 1 19 ? 4.552 -2.271 -6.295 1.00 0.00 ? 19 ARG B CB 31 ATOM 43557 C CG . ARG B 1 19 ? 5.213 -2.373 -7.660 1.00 0.00 ? 19 ARG B CG 31 ATOM 43558 C CD . ARG B 1 19 ? 4.325 -3.102 -8.656 1.00 0.00 ? 19 ARG B CD 31 ATOM 43559 N NE . ARG B 1 19 ? 4.697 -4.507 -8.793 1.00 0.00 ? 19 ARG B NE 31 ATOM 43560 C CZ . ARG B 1 19 ? 5.858 -4.915 -9.296 1.00 0.00 ? 19 ARG B CZ 31 ATOM 43561 N NH1 . ARG B 1 19 ? 6.753 -4.028 -9.707 1.00 0.00 ? 19 ARG B NH1 31 ATOM 43562 N NH2 . ARG B 1 19 ? 6.123 -6.212 -9.388 1.00 0.00 ? 19 ARG B NH2 31 ATOM 43563 H H . ARG B 1 19 ? 5.793 -0.255 -5.348 1.00 0.00 ? 19 ARG B H 31 ATOM 43564 H HA . ARG B 1 19 ? 3.451 -0.552 -6.943 1.00 0.00 ? 19 ARG B HA 31 ATOM 43565 H HB2 . ARG B 1 19 ? 5.304 -2.449 -5.540 1.00 0.00 ? 19 ARG B HB2 31 ATOM 43566 H HB3 . ARG B 1 19 ? 3.797 -3.039 -6.227 1.00 0.00 ? 19 ARG B HB3 31 ATOM 43567 H HG2 . ARG B 1 19 ? 5.409 -1.378 -8.030 1.00 0.00 ? 19 ARG B HG2 31 ATOM 43568 H HG3 . ARG B 1 19 ? 6.144 -2.911 -7.560 1.00 0.00 ? 19 ARG B HG3 31 ATOM 43569 H HD2 . ARG B 1 19 ? 3.301 -3.042 -8.317 1.00 0.00 ? 19 ARG B HD2 31 ATOM 43570 H HD3 . ARG B 1 19 ? 4.413 -2.619 -9.618 1.00 0.00 ? 19 ARG B HD3 31 ATOM 43571 H HE . ARG B 1 19 ? 4.050 -5.180 -8.495 1.00 0.00 ? 19 ARG B HE 31 ATOM 43572 H HH11 . ARG B 1 19 ? 6.555 -3.050 -9.640 1.00 0.00 ? 19 ARG B HH11 31 ATOM 43573 H HH12 . ARG B 1 19 ? 7.625 -4.337 -10.085 1.00 0.00 ? 19 ARG B HH12 31 ATOM 43574 H HH21 . ARG B 1 19 ? 5.450 -6.883 -9.078 1.00 0.00 ? 19 ARG B HH21 31 ATOM 43575 H HH22 . ARG B 1 19 ? 6.997 -6.517 -9.768 1.00 0.00 ? 19 ARG B HH22 31 ATOM 43576 N N . LEU B 1 20 ? 3.201 -0.903 -3.708 1.00 0.00 ? 20 LEU B N 31 ATOM 43577 C CA . LEU B 1 20 ? 2.251 -1.004 -2.612 1.00 0.00 ? 20 LEU B CA 31 ATOM 43578 C C . LEU B 1 20 ? 1.319 0.200 -2.614 1.00 0.00 ? 20 LEU B C 31 ATOM 43579 O O . LEU B 1 20 ? 0.125 0.075 -2.350 1.00 0.00 ? 20 LEU B O 31 ATOM 43580 C CB . LEU B 1 20 ? 2.986 -1.097 -1.274 1.00 0.00 ? 20 LEU B CB 31 ATOM 43581 C CG . LEU B 1 20 ? 3.714 -2.421 -1.027 1.00 0.00 ? 20 LEU B CG 31 ATOM 43582 C CD1 . LEU B 1 20 ? 4.873 -2.220 -0.062 1.00 0.00 ? 20 LEU B CD1 31 ATOM 43583 C CD2 . LEU B 1 20 ? 2.748 -3.467 -0.492 1.00 0.00 ? 20 LEU B CD2 31 ATOM 43584 H H . LEU B 1 20 ? 4.142 -0.713 -3.510 1.00 0.00 ? 20 LEU B H 31 ATOM 43585 H HA . LEU B 1 20 ? 1.666 -1.899 -2.758 1.00 0.00 ? 20 LEU B HA 31 ATOM 43586 H HB2 . LEU B 1 20 ? 3.711 -0.297 -1.228 1.00 0.00 ? 20 LEU B HB2 31 ATOM 43587 H HB3 . LEU B 1 20 ? 2.267 -0.956 -0.482 1.00 0.00 ? 20 LEU B HB3 31 ATOM 43588 H HG . LEU B 1 20 ? 4.118 -2.782 -1.962 1.00 0.00 ? 20 LEU B HG 31 ATOM 43589 H HD11 . LEU B 1 20 ? 5.488 -1.401 -0.404 1.00 0.00 ? 20 LEU B HD11 31 ATOM 43590 H HD12 . LEU B 1 20 ? 4.487 -1.996 0.921 1.00 0.00 ? 20 LEU B HD12 31 ATOM 43591 H HD13 . LEU B 1 20 ? 5.465 -3.121 -0.019 1.00 0.00 ? 20 LEU B HD13 31 ATOM 43592 H HD21 . LEU B 1 20 ? 1.761 -3.037 -0.412 1.00 0.00 ? 20 LEU B HD21 31 ATOM 43593 H HD22 . LEU B 1 20 ? 2.720 -4.309 -1.168 1.00 0.00 ? 20 LEU B HD22 31 ATOM 43594 H HD23 . LEU B 1 20 ? 3.078 -3.797 0.481 1.00 0.00 ? 20 LEU B HD23 31 ATOM 43595 N N . GLN B 1 21 ? 1.878 1.367 -2.922 1.00 0.00 ? 21 GLN B N 31 ATOM 43596 C CA . GLN B 1 21 ? 1.103 2.600 -2.969 1.00 0.00 ? 21 GLN B CA 31 ATOM 43597 C C . GLN B 1 21 ? 0.006 2.510 -4.026 1.00 0.00 ? 21 GLN B C 31 ATOM 43598 O O . GLN B 1 21 ? -1.145 2.868 -3.774 1.00 0.00 ? 21 GLN B O 31 ATOM 43599 C CB . GLN B 1 21 ? 2.021 3.787 -3.269 1.00 0.00 ? 21 GLN B CB 31 ATOM 43600 C CG . GLN B 1 21 ? 2.135 4.781 -2.123 1.00 0.00 ? 21 GLN B CG 31 ATOM 43601 C CD . GLN B 1 21 ? 0.793 5.323 -1.662 1.00 0.00 ? 21 GLN B CD 31 ATOM 43602 O OE1 . GLN B 1 21 ? 0.615 5.638 -0.486 1.00 0.00 ? 21 GLN B OE1 31 ATOM 43603 N NE2 . GLN B 1 21 ? -0.159 5.440 -2.582 1.00 0.00 ? 21 GLN B NE2 31 ATOM 43604 H H . GLN B 1 21 ? 2.837 1.398 -3.126 1.00 0.00 ? 21 GLN B H 31 ATOM 43605 H HA . GLN B 1 21 ? 0.645 2.743 -2.002 1.00 0.00 ? 21 GLN B HA 31 ATOM 43606 H HB2 . GLN B 1 21 ? 3.010 3.413 -3.489 1.00 0.00 ? 21 GLN B HB2 31 ATOM 43607 H HB3 . GLN B 1 21 ? 1.644 4.309 -4.135 1.00 0.00 ? 21 GLN B HB3 31 ATOM 43608 H HG2 . GLN B 1 21 ? 2.609 4.290 -1.287 1.00 0.00 ? 21 GLN B HG2 31 ATOM 43609 H HG3 . GLN B 1 21 ? 2.750 5.610 -2.445 1.00 0.00 ? 21 GLN B HG3 31 ATOM 43610 H HE21 . GLN B 1 21 ? 0.047 5.176 -3.501 1.00 0.00 ? 21 GLN B HE21 31 ATOM 43611 H HE22 . GLN B 1 21 ? -1.031 5.790 -2.303 1.00 0.00 ? 21 GLN B HE22 31 ATOM 43612 N N . LYS B 1 22 ? 0.370 2.029 -5.212 1.00 0.00 ? 22 LYS B N 31 ATOM 43613 C CA . LYS B 1 22 ? -0.587 1.894 -6.304 1.00 0.00 ? 22 LYS B CA 31 ATOM 43614 C C . LYS B 1 22 ? -1.678 0.889 -5.950 1.00 0.00 ? 22 LYS B C 31 ATOM 43615 O O . LYS B 1 22 ? -2.832 1.044 -6.351 1.00 0.00 ? 22 LYS B O 31 ATOM 43616 C CB . LYS B 1 22 ? 0.126 1.460 -7.586 1.00 0.00 ? 22 LYS B CB 31 ATOM 43617 C CG . LYS B 1 22 ? 0.927 0.178 -7.432 1.00 0.00 ? 22 LYS B CG 31 ATOM 43618 C CD . LYS B 1 22 ? 1.496 -0.287 -8.763 1.00 0.00 ? 22 LYS B CD 31 ATOM 43619 C CE . LYS B 1 22 ? 0.916 -1.629 -9.178 1.00 0.00 ? 22 LYS B CE 31 ATOM 43620 N NZ . LYS B 1 22 ? 0.961 -1.822 -10.654 1.00 0.00 ? 22 LYS B NZ 31 ATOM 43621 H H . LYS B 1 22 ? 1.302 1.759 -5.356 1.00 0.00 ? 22 LYS B H 31 ATOM 43622 H HA . LYS B 1 22 ? -1.043 2.860 -6.466 1.00 0.00 ? 22 LYS B HA 31 ATOM 43623 H HB2 . LYS B 1 22 ? -0.611 1.308 -8.361 1.00 0.00 ? 22 LYS B HB2 31 ATOM 43624 H HB3 . LYS B 1 22 ? 0.801 2.246 -7.893 1.00 0.00 ? 22 LYS B HB3 31 ATOM 43625 H HG2 . LYS B 1 22 ? 1.742 0.354 -6.746 1.00 0.00 ? 22 LYS B HG2 31 ATOM 43626 H HG3 . LYS B 1 22 ? 0.282 -0.593 -7.038 1.00 0.00 ? 22 LYS B HG3 31 ATOM 43627 H HD2 . LYS B 1 22 ? 1.259 0.446 -9.521 1.00 0.00 ? 22 LYS B HD2 31 ATOM 43628 H HD3 . LYS B 1 22 ? 2.568 -0.380 -8.672 1.00 0.00 ? 22 LYS B HD3 31 ATOM 43629 H HE2 . LYS B 1 22 ? 1.486 -2.415 -8.704 1.00 0.00 ? 22 LYS B HE2 31 ATOM 43630 H HE3 . LYS B 1 22 ? -0.111 -1.681 -8.847 1.00 0.00 ? 22 LYS B HE3 31 ATOM 43631 H HZ1 . LYS B 1 22 ? 1.232 -0.933 -11.122 1.00 0.00 ? 22 LYS B HZ1 31 ATOM 43632 H HZ2 . LYS B 1 22 ? 1.656 -2.556 -10.898 1.00 0.00 ? 22 LYS B HZ2 31 ATOM 43633 H HZ3 . LYS B 1 22 ? 0.027 -2.114 -11.005 1.00 0.00 ? 22 LYS B HZ3 31 ATOM 43634 N N . GLU B 1 23 ? -1.306 -0.141 -5.199 1.00 0.00 ? 23 GLU B N 31 ATOM 43635 C CA . GLU B 1 23 ? -2.254 -1.172 -4.791 1.00 0.00 ? 23 GLU B CA 31 ATOM 43636 C C . GLU B 1 23 ? -3.295 -0.610 -3.828 1.00 0.00 ? 23 GLU B C 31 ATOM 43637 O O . GLU B 1 23 ? -4.471 -0.977 -3.885 1.00 0.00 ? 23 GLU B O 31 ATOM 43638 C CB . GLU B 1 23 ? -1.516 -2.341 -4.137 1.00 0.00 ? 23 GLU B CB 31 ATOM 43639 C CG . GLU B 1 23 ? -2.198 -3.684 -4.345 1.00 0.00 ? 23 GLU B CG 31 ATOM 43640 C CD . GLU B 1 23 ? -1.322 -4.852 -3.938 1.00 0.00 ? 23 GLU B CD 31 ATOM 43641 O OE1 . GLU B 1 23 ? -0.964 -4.938 -2.745 1.00 0.00 ? 23 GLU B OE1 31 ATOM 43642 O OE2 . GLU B 1 23 ? -0.995 -5.682 -4.813 1.00 0.00 ? 23 GLU B OE2 31 ATOM 43643 H H . GLU B 1 23 ? -0.371 -0.211 -4.911 1.00 0.00 ? 23 GLU B H 31 ATOM 43644 H HA . GLU B 1 23 ? -2.756 -1.528 -5.678 1.00 0.00 ? 23 GLU B HA 31 ATOM 43645 H HB2 . GLU B 1 23 ? -0.520 -2.400 -4.550 1.00 0.00 ? 23 GLU B HB2 31 ATOM 43646 H HB3 . GLU B 1 23 ? -1.445 -2.158 -3.075 1.00 0.00 ? 23 GLU B HB3 31 ATOM 43647 H HG2 . GLU B 1 23 ? -3.102 -3.709 -3.755 1.00 0.00 ? 23 GLU B HG2 31 ATOM 43648 H HG3 . GLU B 1 23 ? -2.449 -3.787 -5.390 1.00 0.00 ? 23 GLU B HG3 31 ATOM 43649 N N . ILE B 1 24 ? -2.861 0.285 -2.946 1.00 0.00 ? 24 ILE B N 31 ATOM 43650 C CA . ILE B 1 24 ? -3.768 0.892 -1.977 1.00 0.00 ? 24 ILE B CA 31 ATOM 43651 C C . ILE B 1 24 ? -4.815 1.743 -2.699 1.00 0.00 ? 24 ILE B C 31 ATOM 43652 O O . ILE B 1 24 ? -5.994 1.736 -2.341 1.00 0.00 ? 24 ILE B O 31 ATOM 43653 C CB . ILE B 1 24 ? -3.008 1.732 -0.898 1.00 0.00 ? 24 ILE B CB 31 ATOM 43654 C CG1 . ILE B 1 24 ? -2.892 3.215 -1.281 1.00 0.00 ? 24 ILE B CG1 31 ATOM 43655 C CG2 . ILE B 1 24 ? -1.624 1.155 -0.641 1.00 0.00 ? 24 ILE B CG2 31 ATOM 43656 C CD1 . ILE B 1 24 ? -4.119 4.019 -0.915 1.00 0.00 ? 24 ILE B CD1 31 ATOM 43657 H H . ILE B 1 24 ? -1.917 0.544 -2.951 1.00 0.00 ? 24 ILE B H 31 ATOM 43658 H HA . ILE B 1 24 ? -4.280 0.085 -1.466 1.00 0.00 ? 24 ILE B HA 31 ATOM 43659 H HB . ILE B 1 24 ? -3.565 1.657 0.024 1.00 0.00 ? 24 ILE B HB 31 ATOM 43660 H HG12 . ILE B 1 24 ? -2.045 3.649 -0.771 1.00 0.00 ? 24 ILE B HG12 31 ATOM 43661 H HG13 . ILE B 1 24 ? -2.744 3.297 -2.348 1.00 0.00 ? 24 ILE B HG13 31 ATOM 43662 H HG21 . ILE B 1 24 ? -1.593 0.129 -0.976 1.00 0.00 ? 24 ILE B HG21 31 ATOM 43663 H HG22 . ILE B 1 24 ? -0.888 1.731 -1.183 1.00 0.00 ? 24 ILE B HG22 31 ATOM 43664 H HG23 . ILE B 1 24 ? -1.407 1.196 0.415 1.00 0.00 ? 24 ILE B HG23 31 ATOM 43665 H HD11 . ILE B 1 24 ? -4.838 3.376 -0.426 1.00 0.00 ? 24 ILE B HD11 31 ATOM 43666 H HD12 . ILE B 1 24 ? -3.839 4.820 -0.246 1.00 0.00 ? 24 ILE B HD12 31 ATOM 43667 H HD13 . ILE B 1 24 ? -4.558 4.435 -1.810 1.00 0.00 ? 24 ILE B HD13 31 ATOM 43668 N N . GLU B 1 25 ? -4.368 2.467 -3.722 1.00 0.00 ? 25 GLU B N 31 ATOM 43669 C CA . GLU B 1 25 ? -5.254 3.318 -4.505 1.00 0.00 ? 25 GLU B CA 31 ATOM 43670 C C . GLU B 1 25 ? -6.343 2.487 -5.170 1.00 0.00 ? 25 GLU B C 31 ATOM 43671 O O . GLU B 1 25 ? -7.509 2.882 -5.201 1.00 0.00 ? 25 GLU B O 31 ATOM 43672 C CB . GLU B 1 25 ? -4.459 4.084 -5.565 1.00 0.00 ? 25 GLU B CB 31 ATOM 43673 C CG . GLU B 1 25 ? -5.238 5.222 -6.205 1.00 0.00 ? 25 GLU B CG 31 ATOM 43674 C CD . GLU B 1 25 ? -4.862 5.441 -7.657 1.00 0.00 ? 25 GLU B CD 31 ATOM 43675 O OE1 . GLU B 1 25 ? -3.759 5.010 -8.057 1.00 0.00 ? 25 GLU B OE1 31 ATOM 43676 O OE2 . GLU B 1 25 ? -5.670 6.043 -8.396 1.00 0.00 ? 25 GLU B OE2 31 ATOM 43677 H H . GLU B 1 25 ? -3.416 2.423 -3.958 1.00 0.00 ? 25 GLU B H 31 ATOM 43678 H HA . GLU B 1 25 ? -5.717 4.026 -3.832 1.00 0.00 ? 25 GLU B HA 31 ATOM 43679 H HB2 . GLU B 1 25 ? -3.573 4.496 -5.106 1.00 0.00 ? 25 GLU B HB2 31 ATOM 43680 H HB3 . GLU B 1 25 ? -4.165 3.395 -6.344 1.00 0.00 ? 25 GLU B HB3 31 ATOM 43681 H HG2 . GLU B 1 25 ? -6.292 4.995 -6.153 1.00 0.00 ? 25 GLU B HG2 31 ATOM 43682 H HG3 . GLU B 1 25 ? -5.039 6.130 -5.656 1.00 0.00 ? 25 GLU B HG3 31 ATOM 43683 N N . ARG B 1 26 ? -5.957 1.327 -5.693 1.00 0.00 ? 26 ARG B N 31 ATOM 43684 C CA . ARG B 1 26 ? -6.906 0.435 -6.345 1.00 0.00 ? 26 ARG B CA 31 ATOM 43685 C C . ARG B 1 26 ? -8.024 0.066 -5.379 1.00 0.00 ? 26 ARG B C 31 ATOM 43686 O O . ARG B 1 26 ? -9.206 0.087 -5.735 1.00 0.00 ? 26 ARG B O 31 ATOM 43687 C CB . ARG B 1 26 ? -6.200 -0.830 -6.838 1.00 0.00 ? 26 ARG B CB 31 ATOM 43688 C CG . ARG B 1 26 ? -7.118 -1.790 -7.576 1.00 0.00 ? 26 ARG B CG 31 ATOM 43689 C CD . ARG B 1 26 ? -6.332 -2.738 -8.469 1.00 0.00 ? 26 ARG B CD 31 ATOM 43690 N NE . ARG B 1 26 ? -6.763 -4.123 -8.308 1.00 0.00 ? 26 ARG B NE 31 ATOM 43691 C CZ . ARG B 1 26 ? -7.916 -4.594 -8.771 1.00 0.00 ? 26 ARG B CZ 31 ATOM 43692 N NH1 . ARG B 1 26 ? -8.750 -3.792 -9.419 1.00 0.00 ? 26 ARG B NH1 31 ATOM 43693 N NH2 . ARG B 1 26 ? -8.237 -5.867 -8.586 1.00 0.00 ? 26 ARG B NH2 31 ATOM 43694 H H . ARG B 1 26 ? -5.016 1.063 -5.631 1.00 0.00 ? 26 ARG B H 31 ATOM 43695 H HA . ARG B 1 26 ? -7.330 0.958 -7.190 1.00 0.00 ? 26 ARG B HA 31 ATOM 43696 H HB2 . ARG B 1 26 ? -5.401 -0.544 -7.507 1.00 0.00 ? 26 ARG B HB2 31 ATOM 43697 H HB3 . ARG B 1 26 ? -5.778 -1.348 -5.990 1.00 0.00 ? 26 ARG B HB3 31 ATOM 43698 H HG2 . ARG B 1 26 ? -7.672 -2.371 -6.853 1.00 0.00 ? 26 ARG B HG2 31 ATOM 43699 H HG3 . ARG B 1 26 ? -7.804 -1.221 -8.186 1.00 0.00 ? 26 ARG B HG3 31 ATOM 43700 H HD2 . ARG B 1 26 ? -6.474 -2.443 -9.498 1.00 0.00 ? 26 ARG B HD2 31 ATOM 43701 H HD3 . ARG B 1 26 ? -5.284 -2.664 -8.215 1.00 0.00 ? 26 ARG B HD3 31 ATOM 43702 H HE . ARG B 1 26 ? -6.161 -4.734 -7.833 1.00 0.00 ? 26 ARG B HE 31 ATOM 43703 H HH11 . ARG B 1 26 ? -8.512 -2.831 -9.560 1.00 0.00 ? 26 ARG B HH11 31 ATOM 43704 H HH12 . ARG B 1 26 ? -9.617 -4.147 -9.766 1.00 0.00 ? 26 ARG B HH12 31 ATOM 43705 H HH21 . ARG B 1 26 ? -7.611 -6.475 -8.098 1.00 0.00 ? 26 ARG B HH21 31 ATOM 43706 H HH22 . ARG B 1 26 ? -9.106 -6.220 -8.935 1.00 0.00 ? 26 ARG B HH22 31 ATOM 43707 N N . HIS B 1 27 ? -7.645 -0.250 -4.144 1.00 0.00 ? 27 HIS B N 31 ATOM 43708 C CA . HIS B 1 27 ? -8.617 -0.598 -3.126 1.00 0.00 ? 27 HIS B CA 31 ATOM 43709 C C . HIS B 1 27 ? -9.429 0.631 -2.745 1.00 0.00 ? 27 HIS B C 31 ATOM 43710 O O . HIS B 1 27 ? -10.558 0.517 -2.272 1.00 0.00 ? 27 HIS B O 31 ATOM 43711 C CB . HIS B 1 27 ? -7.917 -1.173 -1.894 1.00 0.00 ? 27 HIS B CB 31 ATOM 43712 C CG . HIS B 1 27 ? -8.310 -2.584 -1.588 1.00 0.00 ? 27 HIS B CG 31 ATOM 43713 N ND1 . HIS B 1 27 ? -9.515 -2.922 -1.007 1.00 0.00 ? 27 HIS B ND1 31 ATOM 43714 C CD2 . HIS B 1 27 ? -7.652 -3.750 -1.789 1.00 0.00 ? 27 HIS B CD2 31 ATOM 43715 C CE1 . HIS B 1 27 ? -9.579 -4.234 -0.862 1.00 0.00 ? 27 HIS B CE1 31 ATOM 43716 N NE2 . HIS B 1 27 ? -8.462 -4.759 -1.329 1.00 0.00 ? 27 HIS B NE2 31 ATOM 43717 H H . HIS B 1 27 ? -6.691 -0.229 -3.909 1.00 0.00 ? 27 HIS B H 31 ATOM 43718 H HA . HIS B 1 27 ? -9.281 -1.343 -3.538 1.00 0.00 ? 27 HIS B HA 31 ATOM 43719 H HB2 . HIS B 1 27 ? -6.850 -1.153 -2.052 1.00 0.00 ? 27 HIS B HB2 31 ATOM 43720 H HB3 . HIS B 1 27 ? -8.160 -0.565 -1.035 1.00 0.00 ? 27 HIS B HB3 31 ATOM 43721 H HD1 . HIS B 1 27 ? -10.217 -2.293 -0.739 1.00 0.00 ? 27 HIS B HD1 31 ATOM 43722 H HD2 . HIS B 1 27 ? -6.671 -3.866 -2.229 1.00 0.00 ? 27 HIS B HD2 31 ATOM 43723 H HE1 . HIS B 1 27 ? -10.406 -4.783 -0.435 1.00 0.00 ? 27 HIS B HE1 31 ATOM 43724 H HE2 . HIS B 1 27 ? -8.248 -5.715 -1.344 1.00 0.00 ? 27 HIS B HE2 31 ATOM 43725 N N . LYS B 1 28 ? -8.843 1.809 -2.956 1.00 0.00 ? 28 LYS B N 31 ATOM 43726 C CA . LYS B 1 28 ? -9.509 3.063 -2.639 1.00 0.00 ? 28 LYS B CA 31 ATOM 43727 C C . LYS B 1 28 ? -10.615 3.358 -3.644 1.00 0.00 ? 28 LYS B C 31 ATOM 43728 O O . LYS B 1 28 ? -11.590 4.041 -3.330 1.00 0.00 ? 28 LYS B O 31 ATOM 43729 C CB . LYS B 1 28 ? -8.499 4.213 -2.620 1.00 0.00 ? 28 LYS B CB 31 ATOM 43730 C CG . LYS B 1 28 ? -9.003 5.454 -1.902 1.00 0.00 ? 28 LYS B CG 31 ATOM 43731 C CD . LYS B 1 28 ? -8.378 6.718 -2.469 1.00 0.00 ? 28 LYS B CD 31 ATOM 43732 C CE . LYS B 1 28 ? -7.036 7.016 -1.819 1.00 0.00 ? 28 LYS B CE 31 ATOM 43733 N NZ . LYS B 1 28 ? -6.368 8.194 -2.438 1.00 0.00 ? 28 LYS B NZ 31 ATOM 43734 H H . LYS B 1 28 ? -7.941 1.834 -3.335 1.00 0.00 ? 28 LYS B H 31 ATOM 43735 H HA . LYS B 1 28 ? -9.946 2.965 -1.661 1.00 0.00 ? 28 LYS B HA 31 ATOM 43736 H HB2 . LYS B 1 28 ? -7.599 3.878 -2.128 1.00 0.00 ? 28 LYS B HB2 31 ATOM 43737 H HB3 . LYS B 1 28 ? -8.262 4.485 -3.639 1.00 0.00 ? 28 LYS B HB3 31 ATOM 43738 H HG2 . LYS B 1 28 ? -10.075 5.513 -2.014 1.00 0.00 ? 28 LYS B HG2 31 ATOM 43739 H HG3 . LYS B 1 28 ? -8.752 5.378 -0.854 1.00 0.00 ? 28 LYS B HG3 31 ATOM 43740 H HD2 . LYS B 1 28 ? -8.232 6.592 -3.531 1.00 0.00 ? 28 LYS B HD2 31 ATOM 43741 H HD3 . LYS B 1 28 ? -9.045 7.549 -2.291 1.00 0.00 ? 28 LYS B HD3 31 ATOM 43742 H HE2 . LYS B 1 28 ? -7.193 7.213 -0.770 1.00 0.00 ? 28 LYS B HE2 31 ATOM 43743 H HE3 . LYS B 1 28 ? -6.397 6.151 -1.930 1.00 0.00 ? 28 LYS B HE3 31 ATOM 43744 H HZ1 . LYS B 1 28 ? -7.079 8.889 -2.743 1.00 0.00 ? 28 LYS B HZ1 31 ATOM 43745 H HZ2 . LYS B 1 28 ? -5.731 8.646 -1.751 1.00 0.00 ? 28 LYS B HZ2 31 ATOM 43746 H HZ3 . LYS B 1 28 ? -5.813 7.897 -3.266 1.00 0.00 ? 28 LYS B HZ3 31 ATOM 43747 N N . GLN B 1 29 ? -10.459 2.834 -4.855 1.00 0.00 ? 29 GLN B N 31 ATOM 43748 C CA . GLN B 1 29 ? -11.448 3.036 -5.904 1.00 0.00 ? 29 GLN B CA 31 ATOM 43749 C C . GLN B 1 29 ? -12.657 2.138 -5.676 1.00 0.00 ? 29 GLN B C 31 ATOM 43750 O O . GLN B 1 29 ? -13.800 2.568 -5.832 1.00 0.00 ? 29 GLN B O 31 ATOM 43751 C CB . GLN B 1 29 ? -10.834 2.752 -7.277 1.00 0.00 ? 29 GLN B CB 31 ATOM 43752 C CG . GLN B 1 29 ? -11.810 2.938 -8.428 1.00 0.00 ? 29 GLN B CG 31 ATOM 43753 C CD . GLN B 1 29 ? -11.439 2.113 -9.645 1.00 0.00 ? 29 GLN B CD 31 ATOM 43754 O OE1 . GLN B 1 29 ? -10.334 1.576 -9.733 1.00 0.00 ? 29 GLN B OE1 31 ATOM 43755 N NE2 . GLN B 1 29 ? -12.362 2.007 -10.592 1.00 0.00 ? 29 GLN B NE2 31 ATOM 43756 H H . GLN B 1 29 ? -9.662 2.295 -5.045 1.00 0.00 ? 29 GLN B H 31 ATOM 43757 H HA . GLN B 1 29 ? -11.767 4.066 -5.866 1.00 0.00 ? 29 GLN B HA 31 ATOM 43758 H HB2 . GLN B 1 29 ? -9.999 3.418 -7.430 1.00 0.00 ? 29 GLN B HB2 31 ATOM 43759 H HB3 . GLN B 1 29 ? -10.478 1.732 -7.296 1.00 0.00 ? 29 GLN B HB3 31 ATOM 43760 H HG2 . GLN B 1 29 ? -12.795 2.642 -8.100 1.00 0.00 ? 29 GLN B HG2 31 ATOM 43761 H HG3 . GLN B 1 29 ? -11.821 3.980 -8.708 1.00 0.00 ? 29 GLN B HG3 31 ATOM 43762 H HE21 . GLN B 1 29 ? -13.220 2.461 -10.455 1.00 0.00 ? 29 GLN B HE21 31 ATOM 43763 H HE22 . GLN B 1 29 ? -12.150 1.479 -11.391 1.00 0.00 ? 29 GLN B HE22 31 ATOM 43764 N N . SER B 1 30 ? -12.397 0.889 -5.303 1.00 0.00 ? 30 SER B N 31 ATOM 43765 C CA . SER B 1 30 ? -13.469 -0.068 -5.051 1.00 0.00 ? 30 SER B CA 31 ATOM 43766 C C . SER B 1 30 ? -14.283 0.331 -3.820 1.00 0.00 ? 30 SER B C 31 ATOM 43767 O O . SER B 1 30 ? -15.510 0.221 -3.811 1.00 0.00 ? 30 SER B O 31 ATOM 43768 C CB . SER B 1 30 ? -12.893 -1.472 -4.860 1.00 0.00 ? 30 SER B CB 31 ATOM 43769 O OG . SER B 1 30 ? -12.930 -2.208 -6.071 1.00 0.00 ? 30 SER B OG 31 ATOM 43770 H H . SER B 1 30 ? -11.462 0.604 -5.195 1.00 0.00 ? 30 SER B H 31 ATOM 43771 H HA . SER B 1 30 ? -14.120 -0.071 -5.912 1.00 0.00 ? 30 SER B HA 31 ATOM 43772 H HB2 . SER B 1 30 ? -11.867 -1.397 -4.532 1.00 0.00 ? 30 SER B HB2 31 ATOM 43773 H HB3 . SER B 1 30 ? -13.471 -1.999 -4.116 1.00 0.00 ? 30 SER B HB3 31 ATOM 43774 H HG . SER B 1 30 ? -12.756 -3.134 -5.889 1.00 0.00 ? 30 SER B HG 31 ATOM 43775 N N . ILE B 1 31 ? -13.591 0.798 -2.785 1.00 0.00 ? 31 ILE B N 31 ATOM 43776 C CA . ILE B 1 31 ? -14.247 1.213 -1.549 1.00 0.00 ? 31 ILE B CA 31 ATOM 43777 C C . ILE B 1 31 ? -15.018 2.514 -1.752 1.00 0.00 ? 31 ILE B C 31 ATOM 43778 O O . ILE B 1 31 ? -16.088 2.709 -1.176 1.00 0.00 ? 31 ILE B O 31 ATOM 43779 C CB . ILE B 1 31 ? -13.217 1.386 -0.410 1.00 0.00 ? 31 ILE B CB 31 ATOM 43780 C CG1 . ILE B 1 31 ? -13.864 1.945 0.856 1.00 0.00 ? 31 ILE B CG1 31 ATOM 43781 C CG2 . ILE B 1 31 ? -12.092 2.299 -0.853 1.00 0.00 ? 31 ILE B CG2 31 ATOM 43782 C CD1 . ILE B 1 31 ? -14.681 0.929 1.607 1.00 0.00 ? 31 ILE B CD1 31 ATOM 43783 H H . ILE B 1 31 ? -12.615 0.865 -2.852 1.00 0.00 ? 31 ILE B H 31 ATOM 43784 H HA . ILE B 1 31 ? -14.943 0.436 -1.264 1.00 0.00 ? 31 ILE B HA 31 ATOM 43785 H HB . ILE B 1 31 ? -12.796 0.412 -0.188 1.00 0.00 ? 31 ILE B HB 31 ATOM 43786 H HG12 . ILE B 1 31 ? -13.086 2.295 1.521 1.00 0.00 ? 31 ILE B HG12 31 ATOM 43787 H HG13 . ILE B 1 31 ? -14.509 2.770 0.597 1.00 0.00 ? 31 ILE B HG13 31 ATOM 43788 H HG21 . ILE B 1 31 ? -12.169 2.482 -1.913 1.00 0.00 ? 31 ILE B HG21 31 ATOM 43789 H HG22 . ILE B 1 31 ? -12.160 3.237 -0.321 1.00 0.00 ? 31 ILE B HG22 31 ATOM 43790 H HG23 . ILE B 1 31 ? -11.145 1.831 -0.636 1.00 0.00 ? 31 ILE B HG23 31 ATOM 43791 H HD11 . ILE B 1 31 ? -15.294 0.373 0.913 1.00 0.00 ? 31 ILE B HD11 31 ATOM 43792 H HD12 . ILE B 1 31 ? -14.016 0.254 2.122 1.00 0.00 ? 31 ILE B HD12 31 ATOM 43793 H HD13 . ILE B 1 31 ? -15.311 1.431 2.325 1.00 0.00 ? 31 ILE B HD13 31 ATOM 43794 N N . LYS B 1 32 ? -14.470 3.399 -2.576 1.00 0.00 ? 32 LYS B N 31 ATOM 43795 C CA . LYS B 1 32 ? -15.111 4.676 -2.856 1.00 0.00 ? 32 LYS B CA 31 ATOM 43796 C C . LYS B 1 32 ? -16.308 4.497 -3.786 1.00 0.00 ? 32 LYS B C 31 ATOM 43797 O O . LYS B 1 32 ? -17.189 5.353 -3.851 1.00 0.00 ? 32 LYS B O 31 ATOM 43798 C CB . LYS B 1 32 ? -14.107 5.649 -3.478 1.00 0.00 ? 32 LYS B CB 31 ATOM 43799 C CG . LYS B 1 32 ? -14.598 7.087 -3.518 1.00 0.00 ? 32 LYS B CG 31 ATOM 43800 C CD . LYS B 1 32 ? -13.455 8.059 -3.759 1.00 0.00 ? 32 LYS B CD 31 ATOM 43801 C CE . LYS B 1 32 ? -13.255 8.328 -5.242 1.00 0.00 ? 32 LYS B CE 31 ATOM 43802 N NZ . LYS B 1 32 ? -13.550 9.744 -5.596 1.00 0.00 ? 32 LYS B NZ 31 ATOM 43803 H H . LYS B 1 32 ? -13.616 3.186 -3.009 1.00 0.00 ? 32 LYS B H 31 ATOM 43804 H HA . LYS B 1 32 ? -15.458 5.084 -1.918 1.00 0.00 ? 32 LYS B HA 31 ATOM 43805 H HB2 . LYS B 1 32 ? -13.192 5.619 -2.906 1.00 0.00 ? 32 LYS B HB2 31 ATOM 43806 H HB3 . LYS B 1 32 ? -13.899 5.334 -4.490 1.00 0.00 ? 32 LYS B HB3 31 ATOM 43807 H HG2 . LYS B 1 32 ? -15.319 7.189 -4.316 1.00 0.00 ? 32 LYS B HG2 31 ATOM 43808 H HG3 . LYS B 1 32 ? -15.068 7.323 -2.575 1.00 0.00 ? 32 LYS B HG3 31 ATOM 43809 H HD2 . LYS B 1 32 ? -13.677 8.992 -3.262 1.00 0.00 ? 32 LYS B HD2 31 ATOM 43810 H HD3 . LYS B 1 32 ? -12.547 7.639 -3.353 1.00 0.00 ? 32 LYS B HD3 31 ATOM 43811 H HE2 . LYS B 1 32 ? -12.230 8.108 -5.500 1.00 0.00 ? 32 LYS B HE2 31 ATOM 43812 H HE3 . LYS B 1 32 ? -13.912 7.680 -5.804 1.00 0.00 ? 32 LYS B HE3 31 ATOM 43813 H HZ1 . LYS B 1 32 ? -14.499 10.005 -5.259 1.00 0.00 ? 32 LYS B HZ1 31 ATOM 43814 H HZ2 . LYS B 1 32 ? -12.852 10.375 -5.154 1.00 0.00 ? 32 LYS B HZ2 31 ATOM 43815 H HZ3 . LYS B 1 32 ? -13.515 9.870 -6.627 1.00 0.00 ? 32 LYS B HZ3 31 ATOM 43816 N N . LYS B 1 33 ? -16.331 3.381 -4.512 1.00 0.00 ? 33 LYS B N 31 ATOM 43817 C CA . LYS B 1 33 ? -17.416 3.099 -5.443 1.00 0.00 ? 33 LYS B CA 31 ATOM 43818 C C . LYS B 1 33 ? -18.633 2.522 -4.725 1.00 0.00 ? 33 LYS B C 31 ATOM 43819 O O . LYS B 1 33 ? -19.772 2.845 -5.067 1.00 0.00 ? 33 LYS B O 31 ATOM 43820 C CB . LYS B 1 33 ? -16.945 2.131 -6.529 1.00 0.00 ? 33 LYS B CB 31 ATOM 43821 C CG . LYS B 1 33 ? -18.009 1.819 -7.570 1.00 0.00 ? 33 LYS B CG 31 ATOM 43822 C CD . LYS B 1 33 ? -17.414 1.121 -8.781 1.00 0.00 ? 33 LYS B CD 31 ATOM 43823 C CE . LYS B 1 33 ? -18.309 -0.005 -9.270 1.00 0.00 ? 33 LYS B CE 31 ATOM 43824 N NZ . LYS B 1 33 ? -19.334 0.478 -10.237 1.00 0.00 ? 33 LYS B NZ 31 ATOM 43825 H H . LYS B 1 33 ? -15.599 2.736 -4.424 1.00 0.00 ? 33 LYS B H 31 ATOM 43826 H HA . LYS B 1 33 ? -17.701 4.031 -5.907 1.00 0.00 ? 33 LYS B HA 31 ATOM 43827 H HB2 . LYS B 1 33 ? -16.093 2.561 -7.034 1.00 0.00 ? 33 LYS B HB2 31 ATOM 43828 H HB3 . LYS B 1 33 ? -16.646 1.204 -6.062 1.00 0.00 ? 33 LYS B HB3 31 ATOM 43829 H HG2 . LYS B 1 33 ? -18.755 1.176 -7.126 1.00 0.00 ? 33 LYS B HG2 31 ATOM 43830 H HG3 . LYS B 1 33 ? -18.470 2.743 -7.886 1.00 0.00 ? 33 LYS B HG3 31 ATOM 43831 H HD2 . LYS B 1 33 ? -17.293 1.842 -9.576 1.00 0.00 ? 33 LYS B HD2 31 ATOM 43832 H HD3 . LYS B 1 33 ? -16.450 0.713 -8.513 1.00 0.00 ? 33 LYS B HD3 31 ATOM 43833 H HE2 . LYS B 1 33 ? -17.696 -0.752 -9.754 1.00 0.00 ? 33 LYS B HE2 31 ATOM 43834 H HE3 . LYS B 1 33 ? -18.809 -0.446 -8.421 1.00 0.00 ? 33 LYS B HE3 31 ATOM 43835 H HZ1 . LYS B 1 33 ? -18.950 1.263 -10.801 1.00 0.00 ? 33 LYS B HZ1 31 ATOM 43836 H HZ2 . LYS B 1 33 ? -19.613 -0.292 -10.878 1.00 0.00 ? 33 LYS B HZ2 31 ATOM 43837 H HZ3 . LYS B 1 33 ? -20.176 0.812 -9.727 1.00 0.00 ? 33 LYS B HZ3 31 ATOM 43838 N N . LEU B 1 34 ? -18.396 1.668 -3.733 1.00 0.00 ? 34 LEU B N 31 ATOM 43839 C CA . LEU B 1 34 ? -19.490 1.062 -2.987 1.00 0.00 ? 34 LEU B CA 31 ATOM 43840 C C . LEU B 1 34 ? -20.019 2.021 -1.927 1.00 0.00 ? 34 LEU B C 31 ATOM 43841 O O . LEU B 1 34 ? -21.173 1.922 -1.507 1.00 0.00 ? 34 LEU B O 31 ATOM 43842 C CB . LEU B 1 34 ? -19.033 -0.244 -2.338 1.00 0.00 ? 34 LEU B CB 31 ATOM 43843 C CG . LEU B 1 34 ? -18.594 -1.335 -3.316 1.00 0.00 ? 34 LEU B CG 31 ATOM 43844 C CD1 . LEU B 1 34 ? -17.545 -2.233 -2.679 1.00 0.00 ? 34 LEU B CD1 31 ATOM 43845 C CD2 . LEU B 1 34 ? -19.793 -2.154 -3.772 1.00 0.00 ? 34 LEU B CD2 31 ATOM 43846 H H . LEU B 1 34 ? -17.471 1.443 -3.497 1.00 0.00 ? 34 LEU B H 31 ATOM 43847 H HA . LEU B 1 34 ? -20.285 0.846 -3.686 1.00 0.00 ? 34 LEU B HA 31 ATOM 43848 H HB2 . LEU B 1 34 ? -18.206 -0.024 -1.679 1.00 0.00 ? 34 LEU B HB2 31 ATOM 43849 H HB3 . LEU B 1 34 ? -19.850 -0.632 -1.748 1.00 0.00 ? 34 LEU B HB3 31 ATOM 43850 H HG . LEU B 1 34 ? -18.153 -0.873 -4.187 1.00 0.00 ? 34 LEU B HG 31 ATOM 43851 H HD11 . LEU B 1 34 ? -16.783 -1.624 -2.217 1.00 0.00 ? 34 LEU B HD11 31 ATOM 43852 H HD12 . LEU B 1 34 ? -18.012 -2.856 -1.930 1.00 0.00 ? 34 LEU B HD12 31 ATOM 43853 H HD13 . LEU B 1 34 ? -17.097 -2.858 -3.437 1.00 0.00 ? 34 LEU B HD13 31 ATOM 43854 H HD21 . LEU B 1 34 ? -20.538 -1.496 -4.193 1.00 0.00 ? 34 LEU B HD21 31 ATOM 43855 H HD22 . LEU B 1 34 ? -19.478 -2.868 -4.518 1.00 0.00 ? 34 LEU B HD22 31 ATOM 43856 H HD23 . LEU B 1 34 ? -20.211 -2.678 -2.925 1.00 0.00 ? 34 LEU B HD23 31 ATOM 43857 N N . LYS B 1 35 ? -19.174 2.955 -1.503 1.00 0.00 ? 35 LYS B N 31 ATOM 43858 C CA . LYS B 1 35 ? -19.564 3.936 -0.499 1.00 0.00 ? 35 LYS B CA 31 ATOM 43859 C C . LYS B 1 35 ? -20.271 5.118 -1.152 1.00 0.00 ? 35 LYS B C 31 ATOM 43860 O O . LYS B 1 35 ? -21.137 5.749 -0.545 1.00 0.00 ? 35 LYS B O 31 ATOM 43861 C CB . LYS B 1 35 ? -18.338 4.419 0.281 1.00 0.00 ? 35 LYS B CB 31 ATOM 43862 C CG . LYS B 1 35 ? -17.431 5.341 -0.517 1.00 0.00 ? 35 LYS B CG 31 ATOM 43863 C CD . LYS B 1 35 ? -17.788 6.802 -0.297 1.00 0.00 ? 35 LYS B CD 31 ATOM 43864 C CE . LYS B 1 35 ? -16.587 7.604 0.178 1.00 0.00 ? 35 LYS B CE 31 ATOM 43865 N NZ . LYS B 1 35 ? -16.989 8.907 0.775 1.00 0.00 ? 35 LYS B NZ 31 ATOM 43866 H H . LYS B 1 35 ? -18.268 2.989 -1.877 1.00 0.00 ? 35 LYS B H 31 ATOM 43867 H HA . LYS B 1 35 ? -20.249 3.455 0.184 1.00 0.00 ? 35 LYS B HA 31 ATOM 43868 H HB2 . LYS B 1 35 ? -18.674 4.952 1.159 1.00 0.00 ? 35 LYS B HB2 31 ATOM 43869 H HB3 . LYS B 1 35 ? -17.762 3.561 0.591 1.00 0.00 ? 35 LYS B HB3 31 ATOM 43870 H HG2 . LYS B 1 35 ? -16.409 5.180 -0.207 1.00 0.00 ? 35 LYS B HG2 31 ATOM 43871 H HG3 . LYS B 1 35 ? -17.532 5.108 -1.567 1.00 0.00 ? 35 LYS B HG3 31 ATOM 43872 H HD2 . LYS B 1 35 ? -18.140 7.220 -1.228 1.00 0.00 ? 35 LYS B HD2 31 ATOM 43873 H HD3 . LYS B 1 35 ? -18.569 6.863 0.447 1.00 0.00 ? 35 LYS B HD3 31 ATOM 43874 H HE2 . LYS B 1 35 ? -16.056 7.027 0.921 1.00 0.00 ? 35 LYS B HE2 31 ATOM 43875 H HE3 . LYS B 1 35 ? -15.937 7.788 -0.665 1.00 0.00 ? 35 LYS B HE3 31 ATOM 43876 H HZ1 . LYS B 1 35 ? -17.970 9.133 0.512 1.00 0.00 ? 35 LYS B HZ1 31 ATOM 43877 H HZ2 . LYS B 1 35 ? -16.921 8.862 1.811 1.00 0.00 ? 35 LYS B HZ2 31 ATOM 43878 H HZ3 . LYS B 1 35 ? -16.367 9.665 0.430 1.00 0.00 ? 35 LYS B HZ3 31 ATOM 43879 N N . GLN B 1 36 ? -19.900 5.411 -2.395 1.00 0.00 ? 36 GLN B N 31 ATOM 43880 C CA . GLN B 1 36 ? -20.504 6.515 -3.132 1.00 0.00 ? 36 GLN B CA 31 ATOM 43881 C C . GLN B 1 36 ? -21.853 6.102 -3.708 1.00 0.00 ? 36 GLN B C 31 ATOM 43882 O O . GLN B 1 36 ? -22.761 6.923 -3.841 1.00 0.00 ? 36 GLN B O 31 ATOM 43883 C CB . GLN B 1 36 ? -19.575 6.978 -4.256 1.00 0.00 ? 36 GLN B CB 31 ATOM 43884 C CG . GLN B 1 36 ? -18.523 7.977 -3.803 1.00 0.00 ? 36 GLN B CG 31 ATOM 43885 C CD . GLN B 1 36 ? -18.519 9.239 -4.646 1.00 0.00 ? 36 GLN B CD 31 ATOM 43886 O OE1 . GLN B 1 36 ? -18.188 9.205 -5.831 1.00 0.00 ? 36 GLN B OE1 31 ATOM 43887 N NE2 . GLN B 1 36 ? -18.884 10.360 -4.035 1.00 0.00 ? 36 GLN B NE2 31 ATOM 43888 H H . GLN B 1 36 ? -19.206 4.870 -2.830 1.00 0.00 ? 36 GLN B H 31 ATOM 43889 H HA . GLN B 1 36 ? -20.655 7.331 -2.441 1.00 0.00 ? 36 GLN B HA 31 ATOM 43890 H HB2 . GLN B 1 36 ? -19.070 6.117 -4.666 1.00 0.00 ? 36 GLN B HB2 31 ATOM 43891 H HB3 . GLN B 1 36 ? -20.170 7.439 -5.030 1.00 0.00 ? 36 GLN B HB3 31 ATOM 43892 H HG2 . GLN B 1 36 ? -18.721 8.250 -2.777 1.00 0.00 ? 36 GLN B HG2 31 ATOM 43893 H HG3 . GLN B 1 36 ? -17.551 7.512 -3.871 1.00 0.00 ? 36 GLN B HG3 31 ATOM 43894 H HE21 . GLN B 1 36 ? -19.134 10.311 -3.088 1.00 0.00 ? 36 GLN B HE21 31 ATOM 43895 H HE22 . GLN B 1 36 ? -18.889 11.190 -4.555 1.00 0.00 ? 36 GLN B HE22 31 ATOM 43896 N N . SER B 1 37 ? -21.979 4.822 -4.045 1.00 0.00 ? 37 SER B N 31 ATOM 43897 C CA . SER B 1 37 ? -23.219 4.298 -4.605 1.00 0.00 ? 37 SER B CA 31 ATOM 43898 C C . SER B 1 37 ? -24.273 4.126 -3.516 1.00 0.00 ? 37 SER B C 31 ATOM 43899 O O . SER B 1 37 ? -25.473 4.172 -3.787 1.00 0.00 ? 37 SER B O 31 ATOM 43900 C CB . SER B 1 37 ? -22.964 2.960 -5.300 1.00 0.00 ? 37 SER B CB 31 ATOM 43901 O OG . SER B 1 37 ? -24.145 2.179 -5.354 1.00 0.00 ? 37 SER B OG 31 ATOM 43902 H H . SER B 1 37 ? -21.220 4.216 -3.913 1.00 0.00 ? 37 SER B H 31 ATOM 43903 H HA . SER B 1 37 ? -23.582 5.009 -5.331 1.00 0.00 ? 37 SER B HA 31 ATOM 43904 H HB2 . SER B 1 37 ? -22.621 3.140 -6.308 1.00 0.00 ? 37 SER B HB2 31 ATOM 43905 H HB3 . SER B 1 37 ? -22.207 2.412 -4.757 1.00 0.00 ? 37 SER B HB3 31 ATOM 43906 H HG . SER B 1 37 ? -24.205 1.749 -6.210 1.00 0.00 ? 37 SER B HG 31 ATOM 43907 N N . GLU B 1 38 ? -23.816 3.928 -2.283 1.00 0.00 ? 38 GLU B N 31 ATOM 43908 C CA . GLU B 1 38 ? -24.719 3.750 -1.153 1.00 0.00 ? 38 GLU B CA 31 ATOM 43909 C C . GLU B 1 38 ? -25.356 5.077 -0.754 1.00 0.00 ? 38 GLU B C 31 ATOM 43910 O O . GLU B 1 38 ? -26.455 5.109 -0.201 1.00 0.00 ? 38 GLU B O 31 ATOM 43911 C CB . GLU B 1 38 ? -23.969 3.153 0.038 1.00 0.00 ? 38 GLU B CB 31 ATOM 43912 C CG . GLU B 1 38 ? -24.259 1.677 0.262 1.00 0.00 ? 38 GLU B CG 31 ATOM 43913 C CD . GLU B 1 38 ? -25.608 1.440 0.910 1.00 0.00 ? 38 GLU B CD 31 ATOM 43914 O OE1 . GLU B 1 38 ? -25.714 1.616 2.142 1.00 0.00 ? 38 GLU B OE1 31 ATOM 43915 O OE2 . GLU B 1 38 ? -26.559 1.076 0.186 1.00 0.00 ? 38 GLU B OE2 31 ATOM 43916 H H . GLU B 1 38 ? -22.848 3.902 -2.130 1.00 0.00 ? 38 GLU B H 31 ATOM 43917 H HA . GLU B 1 38 ? -25.498 3.067 -1.456 1.00 0.00 ? 38 GLU B HA 31 ATOM 43918 H HB2 . GLU B 1 38 ? -22.907 3.268 -0.124 1.00 0.00 ? 38 GLU B HB2 31 ATOM 43919 H HB3 . GLU B 1 38 ? -24.248 3.691 0.932 1.00 0.00 ? 38 GLU B HB3 31 ATOM 43920 H HG2 . GLU B 1 38 ? -24.240 1.172 -0.692 1.00 0.00 ? 38 GLU B HG2 31 ATOM 43921 H HG3 . GLU B 1 38 ? -23.490 1.266 0.900 1.00 0.00 ? 38 GLU B HG3 31 ATOM 43922 N N . ASP B 1 39 ? -24.658 6.172 -1.039 1.00 0.00 ? 39 ASP B N 31 ATOM 43923 C CA . ASP B 1 39 ? -25.155 7.503 -0.712 1.00 0.00 ? 39 ASP B CA 31 ATOM 43924 C C . ASP B 1 39 ? -26.211 7.951 -1.716 1.00 0.00 ? 39 ASP B C 31 ATOM 43925 O O . ASP B 1 39 ? -27.069 8.777 -1.404 1.00 0.00 ? 39 ASP B O 31 ATOM 43926 C CB . ASP B 1 39 ? -24.002 8.508 -0.683 1.00 0.00 ? 39 ASP B CB 31 ATOM 43927 C CG . ASP B 1 39 ? -24.343 9.757 0.106 1.00 0.00 ? 39 ASP B CG 31 ATOM 43928 O OD1 . ASP B 1 39 ? -25.444 9.805 0.694 1.00 0.00 ? 39 ASP B OD1 31 ATOM 43929 O OD2 . ASP B 1 39 ? -23.510 10.687 0.134 1.00 0.00 ? 39 ASP B OD2 31 ATOM 43930 H H . ASP B 1 39 ? -23.787 6.083 -1.482 1.00 0.00 ? 39 ASP B H 31 ATOM 43931 H HA . ASP B 1 39 ? -25.604 7.456 0.269 1.00 0.00 ? 39 ASP B HA 31 ATOM 43932 H HB2 . ASP B 1 39 ? -23.139 8.044 -0.230 1.00 0.00 ? 39 ASP B HB2 31 ATOM 43933 H HB3 . ASP B 1 39 ? -23.760 8.798 -1.696 1.00 0.00 ? 39 ASP B HB3 31 ATOM 43934 N N . ASP B 1 40 ? -26.143 7.400 -2.925 1.00 0.00 ? 40 ASP B N 31 ATOM 43935 C CA . ASP B 1 40 ? -27.094 7.742 -3.976 1.00 0.00 ? 40 ASP B CA 31 ATOM 43936 C C . ASP B 1 40 ? -26.910 9.189 -4.426 1.00 0.00 ? 40 ASP B C 31 ATOM 43937 O O . ASP B 1 40 ? -26.309 9.998 -3.720 1.00 0.00 ? 40 ASP B O 31 ATOM 43938 C CB . ASP B 1 40 ? -28.527 7.527 -3.486 1.00 0.00 ? 40 ASP B CB 31 ATOM 43939 C CG . ASP B 1 40 ? -29.152 6.271 -4.058 1.00 0.00 ? 40 ASP B CG 31 ATOM 43940 O OD1 . ASP B 1 40 ? -28.708 5.826 -5.138 1.00 0.00 ? 40 ASP B OD1 31 ATOM 43941 O OD2 . ASP B 1 40 ? -30.084 5.730 -3.427 1.00 0.00 ? 40 ASP B OD2 31 ATOM 43942 H H . ASP B 1 40 ? -25.437 6.747 -3.114 1.00 0.00 ? 40 ASP B H 31 ATOM 43943 H HA . ASP B 1 40 ? -26.909 7.090 -4.815 1.00 0.00 ? 40 ASP B HA 31 ATOM 43944 H HB2 . ASP B 1 40 ? -28.525 7.448 -2.409 1.00 0.00 ? 40 ASP B HB2 31 ATOM 43945 H HB3 . ASP B 1 40 ? -29.132 8.374 -3.779 1.00 0.00 ? 40 ASP B HB3 31 ATOM 43946 N N . ASP B 1 41 ? -27.433 9.506 -5.607 1.00 0.00 ? 41 ASP B N 31 ATOM 43947 C CA . ASP B 1 41 ? -27.326 10.855 -6.152 1.00 0.00 ? 41 ASP B CA 31 ATOM 43948 C C . ASP B 1 41 ? -25.882 11.344 -6.115 1.00 0.00 ? 41 ASP B C 31 ATOM 43949 O O . ASP B 1 41 ? -24.979 10.506 -5.905 1.00 0.00 ? 41 ASP B O 31 ATOM 43950 C CB . ASP B 1 41 ? -28.222 11.815 -5.369 1.00 0.00 ? 41 ASP B CB 31 ATOM 43951 C CG . ASP B 1 41 ? -29.624 11.272 -5.176 1.00 0.00 ? 41 ASP B CG 31 ATOM 43952 O OD1 . ASP B 1 41 ? -30.043 10.411 -5.979 1.00 0.00 ? 41 ASP B OD1 31 ATOM 43953 O OD2 . ASP B 1 41 ? -30.303 11.705 -4.223 1.00 0.00 ? 41 ASP B OD2 31 ATOM 43954 O OXT . ASP B 1 41 ? -25.665 12.560 -6.297 1.00 0.00 ? 41 ASP B OXT 31 ATOM 43955 H H . ASP B 1 41 ? -27.901 8.817 -6.123 1.00 0.00 ? 41 ASP B H 31 ATOM 43956 H HA . ASP B 1 41 ? -27.657 10.824 -7.179 1.00 0.00 ? 41 ASP B HA 31 ATOM 43957 H HB2 . ASP B 1 41 ? -27.788 11.991 -4.396 1.00 0.00 ? 41 ASP B HB2 31 ATOM 43958 H HB3 . ASP B 1 41 ? -28.289 12.751 -5.904 1.00 0.00 ? 41 ASP B HB3 31 ATOM 43959 N N . ALA A 1 1 ? -24.064 8.203 4.689 1.00 0.00 ? 1 ALA A N 32 ATOM 43960 C CA . ALA A 1 1 ? -24.287 6.767 4.998 1.00 0.00 ? 1 ALA A CA 32 ATOM 43961 C C . ALA A 1 1 ? -25.777 6.445 5.056 1.00 0.00 ? 1 ALA A C 32 ATOM 43962 O O . ALA A 1 1 ? -26.451 6.757 6.038 1.00 0.00 ? 1 ALA A O 32 ATOM 43963 C CB . ALA A 1 1 ? -23.618 6.402 6.313 1.00 0.00 ? 1 ALA A CB 32 ATOM 43964 H H1 . ALA A 1 1 ? -24.836 8.746 5.125 1.00 0.00 ? 1 ALA A H1 32 ATOM 43965 H H2 . ALA A 1 1 ? -23.141 8.473 5.089 1.00 0.00 ? 1 ALA A H2 32 ATOM 43966 H H3 . ALA A 1 1 ? -24.071 8.310 3.654 1.00 0.00 ? 1 ALA A H3 32 ATOM 43967 H HA . ALA A 1 1 ? -23.833 6.176 4.215 1.00 0.00 ? 1 ALA A HA 32 ATOM 43968 H HB1 . ALA A 1 1 ? -23.245 7.296 6.789 1.00 0.00 ? 1 ALA A HB1 32 ATOM 43969 H HB2 . ALA A 1 1 ? -22.797 5.726 6.124 1.00 0.00 ? 1 ALA A HB2 32 ATOM 43970 H HB3 . ALA A 1 1 ? -24.336 5.922 6.963 1.00 0.00 ? 1 ALA A HB3 32 ATOM 43971 N N . LEU A 1 2 ? -26.284 5.820 3.999 1.00 0.00 ? 2 LEU A N 32 ATOM 43972 C CA . LEU A 1 2 ? -27.694 5.455 3.930 1.00 0.00 ? 2 LEU A CA 32 ATOM 43973 C C . LEU A 1 2 ? -27.864 4.038 3.392 1.00 0.00 ? 2 LEU A C 32 ATOM 43974 O O . LEU A 1 2 ? -28.900 3.700 2.820 1.00 0.00 ? 2 LEU A O 32 ATOM 43975 C CB . LEU A 1 2 ? -28.456 6.443 3.046 1.00 0.00 ? 2 LEU A CB 32 ATOM 43976 C CG . LEU A 1 2 ? -28.141 7.918 3.304 1.00 0.00 ? 2 LEU A CG 32 ATOM 43977 C CD1 . LEU A 1 2 ? -27.588 8.572 2.047 1.00 0.00 ? 2 LEU A CD1 32 ATOM 43978 C CD2 . LEU A 1 2 ? -29.383 8.652 3.787 1.00 0.00 ? 2 LEU A CD2 32 ATOM 43979 H H . LEU A 1 2 ? -25.695 5.597 3.248 1.00 0.00 ? 2 LEU A H 32 ATOM 43980 H HA . LEU A 1 2 ? -28.096 5.496 4.932 1.00 0.00 ? 2 LEU A HA 32 ATOM 43981 H HB2 . LEU A 1 2 ? -28.227 6.221 2.014 1.00 0.00 ? 2 LEU A HB2 32 ATOM 43982 H HB3 . LEU A 1 2 ? -29.514 6.292 3.202 1.00 0.00 ? 2 LEU A HB3 32 ATOM 43983 H HG . LEU A 1 2 ? -27.388 7.990 4.075 1.00 0.00 ? 2 LEU A HG 32 ATOM 43984 H HD11 . LEU A 1 2 ? -26.896 7.899 1.565 1.00 0.00 ? 2 LEU A HD11 32 ATOM 43985 H HD12 . LEU A 1 2 ? -28.400 8.798 1.371 1.00 0.00 ? 2 LEU A HD12 32 ATOM 43986 H HD13 . LEU A 1 2 ? -27.076 9.485 2.312 1.00 0.00 ? 2 LEU A HD13 32 ATOM 43987 H HD21 . LEU A 1 2 ? -29.949 8.007 4.442 1.00 0.00 ? 2 LEU A HD21 32 ATOM 43988 H HD22 . LEU A 1 2 ? -29.089 9.542 4.323 1.00 0.00 ? 2 LEU A HD22 32 ATOM 43989 H HD23 . LEU A 1 2 ? -29.991 8.927 2.937 1.00 0.00 ? 2 LEU A HD23 32 ATOM 43990 N N . LYS A 1 3 ? -26.839 3.212 3.577 1.00 0.00 ? 3 LYS A N 32 ATOM 43991 C CA . LYS A 1 3 ? -26.875 1.831 3.110 1.00 0.00 ? 3 LYS A CA 32 ATOM 43992 C C . LYS A 1 3 ? -26.203 0.900 4.113 1.00 0.00 ? 3 LYS A C 32 ATOM 43993 O O . LYS A 1 3 ? -25.199 1.256 4.730 1.00 0.00 ? 3 LYS A O 32 ATOM 43994 C CB . LYS A 1 3 ? -26.188 1.714 1.747 1.00 0.00 ? 3 LYS A CB 32 ATOM 43995 C CG . LYS A 1 3 ? -26.764 2.645 0.693 1.00 0.00 ? 3 LYS A CG 32 ATOM 43996 C CD . LYS A 1 3 ? -25.721 3.634 0.195 1.00 0.00 ? 3 LYS A CD 32 ATOM 43997 C CE . LYS A 1 3 ? -26.253 5.058 0.208 1.00 0.00 ? 3 LYS A CE 32 ATOM 43998 N NZ . LYS A 1 3 ? -25.480 5.948 -0.702 1.00 0.00 ? 3 LYS A NZ 32 ATOM 43999 H H . LYS A 1 3 ? -26.039 3.540 4.039 1.00 0.00 ? 3 LYS A H 32 ATOM 44000 H HA . LYS A 1 3 ? -27.910 1.543 3.007 1.00 0.00 ? 3 LYS A HA 32 ATOM 44001 H HB2 . LYS A 1 3 ? -25.139 1.942 1.866 1.00 0.00 ? 3 LYS A HB2 32 ATOM 44002 H HB3 . LYS A 1 3 ? -26.289 0.699 1.393 1.00 0.00 ? 3 LYS A HB3 32 ATOM 44003 H HG2 . LYS A 1 3 ? -27.114 2.056 -0.141 1.00 0.00 ? 3 LYS A HG2 32 ATOM 44004 H HG3 . LYS A 1 3 ? -27.590 3.193 1.123 1.00 0.00 ? 3 LYS A HG3 32 ATOM 44005 H HD2 . LYS A 1 3 ? -24.853 3.579 0.833 1.00 0.00 ? 3 LYS A HD2 32 ATOM 44006 H HD3 . LYS A 1 3 ? -25.445 3.371 -0.816 1.00 0.00 ? 3 LYS A HD3 32 ATOM 44007 H HE2 . LYS A 1 3 ? -27.286 5.045 -0.107 1.00 0.00 ? 3 LYS A HE2 32 ATOM 44008 H HE3 . LYS A 1 3 ? -26.189 5.444 1.215 1.00 0.00 ? 3 LYS A HE3 32 ATOM 44009 H HZ1 . LYS A 1 3 ? -25.525 5.587 -1.677 1.00 0.00 ? 3 LYS A HZ1 32 ATOM 44010 H HZ2 . LYS A 1 3 ? -25.876 6.910 -0.684 1.00 0.00 ? 3 LYS A HZ2 32 ATOM 44011 H HZ3 . LYS A 1 3 ? -24.486 5.988 -0.403 1.00 0.00 ? 3 LYS A HZ3 32 ATOM 44012 N N . LYS A 1 4 ? -26.763 -0.297 4.271 1.00 0.00 ? 4 LYS A N 32 ATOM 44013 C CA . LYS A 1 4 ? -26.215 -1.279 5.200 1.00 0.00 ? 4 LYS A CA 32 ATOM 44014 C C . LYS A 1 4 ? -25.345 -2.295 4.468 1.00 0.00 ? 4 LYS A C 32 ATOM 44015 O O . LYS A 1 4 ? -24.127 -2.321 4.641 1.00 0.00 ? 4 LYS A O 32 ATOM 44016 C CB . LYS A 1 4 ? -27.346 -1.997 5.940 1.00 0.00 ? 4 LYS A CB 32 ATOM 44017 C CG . LYS A 1 4 ? -27.857 -1.238 7.154 1.00 0.00 ? 4 LYS A CG 32 ATOM 44018 C CD . LYS A 1 4 ? -28.385 0.134 6.769 1.00 0.00 ? 4 LYS A CD 32 ATOM 44019 C CE . LYS A 1 4 ? -27.406 1.234 7.145 1.00 0.00 ? 4 LYS A CE 32 ATOM 44020 N NZ . LYS A 1 4 ? -27.973 2.590 6.904 1.00 0.00 ? 4 LYS A NZ 32 ATOM 44021 H H . LYS A 1 4 ? -27.562 -0.523 3.751 1.00 0.00 ? 4 LYS A H 32 ATOM 44022 H HA . LYS A 1 4 ? -25.605 -0.752 5.917 1.00 0.00 ? 4 LYS A HA 32 ATOM 44023 H HB2 . LYS A 1 4 ? -28.171 -2.143 5.259 1.00 0.00 ? 4 LYS A HB2 32 ATOM 44024 H HB3 . LYS A 1 4 ? -26.988 -2.961 6.270 1.00 0.00 ? 4 LYS A HB3 32 ATOM 44025 H HG2 . LYS A 1 4 ? -28.654 -1.804 7.611 1.00 0.00 ? 4 LYS A HG2 32 ATOM 44026 H HG3 . LYS A 1 4 ? -27.047 -1.117 7.859 1.00 0.00 ? 4 LYS A HG3 32 ATOM 44027 H HD2 . LYS A 1 4 ? -28.549 0.161 5.702 1.00 0.00 ? 4 LYS A HD2 32 ATOM 44028 H HD3 . LYS A 1 4 ? -29.321 0.305 7.282 1.00 0.00 ? 4 LYS A HD3 32 ATOM 44029 H HE2 . LYS A 1 4 ? -27.161 1.139 8.192 1.00 0.00 ? 4 LYS A HE2 32 ATOM 44030 H HE3 . LYS A 1 4 ? -26.509 1.118 6.554 1.00 0.00 ? 4 LYS A HE3 32 ATOM 44031 H HZ1 . LYS A 1 4 ? -28.999 2.525 6.745 1.00 0.00 ? 4 LYS A HZ1 32 ATOM 44032 H HZ2 . LYS A 1 4 ? -27.798 3.202 7.726 1.00 0.00 ? 4 LYS A HZ2 32 ATOM 44033 H HZ3 . LYS A 1 4 ? -27.531 3.019 6.067 1.00 0.00 ? 4 LYS A HZ3 32 ATOM 44034 N N . HIS A 1 5 ? -25.976 -3.128 3.647 1.00 0.00 ? 5 HIS A N 32 ATOM 44035 C CA . HIS A 1 5 ? -25.255 -4.142 2.887 1.00 0.00 ? 5 HIS A CA 32 ATOM 44036 C C . HIS A 1 5 ? -24.086 -3.519 2.132 1.00 0.00 ? 5 HIS A C 32 ATOM 44037 O O . HIS A 1 5 ? -22.997 -4.090 2.068 1.00 0.00 ? 5 HIS A O 32 ATOM 44038 C CB . HIS A 1 5 ? -26.196 -4.841 1.905 1.00 0.00 ? 5 HIS A CB 32 ATOM 44039 C CG . HIS A 1 5 ? -27.187 -3.917 1.266 1.00 0.00 ? 5 HIS A CG 32 ATOM 44040 N ND1 . HIS A 1 5 ? -28.538 -3.951 1.547 1.00 0.00 ? 5 HIS A ND1 32 ATOM 44041 C CD2 . HIS A 1 5 ? -27.019 -2.927 0.358 1.00 0.00 ? 5 HIS A CD2 32 ATOM 44042 C CE1 . HIS A 1 5 ? -29.157 -3.024 0.837 1.00 0.00 ? 5 HIS A CE1 32 ATOM 44043 N NE2 . HIS A 1 5 ? -28.258 -2.389 0.109 1.00 0.00 ? 5 HIS A NE2 32 ATOM 44044 H H . HIS A 1 5 ? -26.948 -3.057 3.548 1.00 0.00 ? 5 HIS A H 32 ATOM 44045 H HA . HIS A 1 5 ? -24.871 -4.870 3.585 1.00 0.00 ? 5 HIS A HA 32 ATOM 44046 H HB2 . HIS A 1 5 ? -25.613 -5.294 1.118 1.00 0.00 ? 5 HIS A HB2 32 ATOM 44047 H HB3 . HIS A 1 5 ? -26.746 -5.609 2.428 1.00 0.00 ? 5 HIS A HB3 32 ATOM 44048 H HD1 . HIS A 1 5 ? -28.978 -4.566 2.173 1.00 0.00 ? 5 HIS A HD1 32 ATOM 44049 H HD2 . HIS A 1 5 ? -26.084 -2.619 -0.089 1.00 0.00 ? 5 HIS A HD2 32 ATOM 44050 H HE1 . HIS A 1 5 ? -30.218 -2.820 0.853 1.00 0.00 ? 5 HIS A HE1 32 ATOM 44051 H HE2 . HIS A 1 5 ? -28.447 -1.652 -0.509 1.00 0.00 ? 5 HIS A HE2 32 ATOM 44052 N N . HIS A 1 6 ? -24.321 -2.339 1.566 1.00 0.00 ? 6 HIS A N 32 ATOM 44053 C CA . HIS A 1 6 ? -23.289 -1.631 0.819 1.00 0.00 ? 6 HIS A CA 32 ATOM 44054 C C . HIS A 1 6 ? -22.110 -1.288 1.719 1.00 0.00 ? 6 HIS A C 32 ATOM 44055 O O . HIS A 1 6 ? -20.954 -1.381 1.306 1.00 0.00 ? 6 HIS A O 32 ATOM 44056 C CB . HIS A 1 6 ? -23.865 -0.354 0.202 1.00 0.00 ? 6 HIS A CB 32 ATOM 44057 C CG . HIS A 1 6 ? -23.450 -0.135 -1.219 1.00 0.00 ? 6 HIS A CG 32 ATOM 44058 N ND1 . HIS A 1 6 ? -23.238 -1.167 -2.110 1.00 0.00 ? 6 HIS A ND1 32 ATOM 44059 C CD2 . HIS A 1 6 ? -23.209 1.008 -1.906 1.00 0.00 ? 6 HIS A CD2 32 ATOM 44060 C CE1 . HIS A 1 6 ? -22.884 -0.669 -3.281 1.00 0.00 ? 6 HIS A CE1 32 ATOM 44061 N NE2 . HIS A 1 6 ? -22.860 0.647 -3.184 1.00 0.00 ? 6 HIS A NE2 32 ATOM 44062 H H . HIS A 1 6 ? -25.209 -1.935 1.656 1.00 0.00 ? 6 HIS A H 32 ATOM 44063 H HA . HIS A 1 6 ? -22.946 -2.282 0.028 1.00 0.00 ? 6 HIS A HA 32 ATOM 44064 H HB2 . HIS A 1 6 ? -24.943 -0.404 0.228 1.00 0.00 ? 6 HIS A HB2 32 ATOM 44065 H HB3 . HIS A 1 6 ? -23.535 0.496 0.781 1.00 0.00 ? 6 HIS A HB3 32 ATOM 44066 H HD1 . HIS A 1 6 ? -23.332 -2.122 -1.912 1.00 0.00 ? 6 HIS A HD1 32 ATOM 44067 H HD2 . HIS A 1 6 ? -23.278 2.016 -1.520 1.00 0.00 ? 6 HIS A HD2 32 ATOM 44068 H HE1 . HIS A 1 6 ? -22.655 -1.242 -4.168 1.00 0.00 ? 6 HIS A HE1 32 ATOM 44069 H HE2 . HIS A 1 6 ? -22.629 1.265 -3.908 1.00 0.00 ? 6 HIS A HE2 32 ATOM 44070 N N . GLU A 1 7 ? -22.406 -0.894 2.953 1.00 0.00 ? 7 GLU A N 32 ATOM 44071 C CA . GLU A 1 7 ? -21.365 -0.542 3.909 1.00 0.00 ? 7 GLU A CA 32 ATOM 44072 C C . GLU A 1 7 ? -20.552 -1.772 4.292 1.00 0.00 ? 7 GLU A C 32 ATOM 44073 O O . GLU A 1 7 ? -19.367 -1.671 4.609 1.00 0.00 ? 7 GLU A O 32 ATOM 44074 C CB . GLU A 1 7 ? -21.978 0.093 5.158 1.00 0.00 ? 7 GLU A CB 32 ATOM 44075 C CG . GLU A 1 7 ? -21.022 1.012 5.903 1.00 0.00 ? 7 GLU A CG 32 ATOM 44076 C CD . GLU A 1 7 ? -21.646 2.354 6.236 1.00 0.00 ? 7 GLU A CD 32 ATOM 44077 O OE1 . GLU A 1 7 ? -22.891 2.434 6.288 1.00 0.00 ? 7 GLU A OE1 32 ATOM 44078 O OE2 . GLU A 1 7 ? -20.888 3.323 6.448 1.00 0.00 ? 7 GLU A OE2 32 ATOM 44079 H H . GLU A 1 7 ? -23.346 -0.841 3.228 1.00 0.00 ? 7 GLU A H 32 ATOM 44080 H HA . GLU A 1 7 ? -20.709 0.171 3.434 1.00 0.00 ? 7 GLU A HA 32 ATOM 44081 H HB2 . GLU A 1 7 ? -22.844 0.669 4.868 1.00 0.00 ? 7 GLU A HB2 32 ATOM 44082 H HB3 . GLU A 1 7 ? -22.287 -0.691 5.833 1.00 0.00 ? 7 GLU A HB3 32 ATOM 44083 H HG2 . GLU A 1 7 ? -20.726 0.531 6.824 1.00 0.00 ? 7 GLU A HG2 32 ATOM 44084 H HG3 . GLU A 1 7 ? -20.151 1.179 5.288 1.00 0.00 ? 7 GLU A HG3 32 ATOM 44085 N N . ASN A 1 8 ? -21.192 -2.935 4.250 1.00 0.00 ? 8 ASN A N 32 ATOM 44086 C CA . ASN A 1 8 ? -20.522 -4.184 4.582 1.00 0.00 ? 8 ASN A CA 32 ATOM 44087 C C . ASN A 1 8 ? -19.424 -4.474 3.565 1.00 0.00 ? 8 ASN A C 32 ATOM 44088 O O . ASN A 1 8 ? -18.291 -4.802 3.929 1.00 0.00 ? 8 ASN A O 32 ATOM 44089 C CB . ASN A 1 8 ? -21.526 -5.337 4.615 1.00 0.00 ? 8 ASN A CB 32 ATOM 44090 C CG . ASN A 1 8 ? -21.724 -5.890 6.011 1.00 0.00 ? 8 ASN A CG 32 ATOM 44091 O OD1 . ASN A 1 8 ? -20.941 -5.612 6.920 1.00 0.00 ? 8 ASN A OD1 32 ATOM 44092 N ND2 . ASN A 1 8 ? -22.776 -6.681 6.191 1.00 0.00 ? 8 ASN A ND2 32 ATOM 44093 H H . ASN A 1 8 ? -22.134 -2.952 3.982 1.00 0.00 ? 8 ASN A H 32 ATOM 44094 H HA . ASN A 1 8 ? -20.075 -4.074 5.558 1.00 0.00 ? 8 ASN A HA 32 ATOM 44095 H HB2 . ASN A 1 8 ? -22.479 -4.987 4.248 1.00 0.00 ? 8 ASN A HB2 32 ATOM 44096 H HB3 . ASN A 1 8 ? -21.170 -6.133 3.977 1.00 0.00 ? 8 ASN A HB3 32 ATOM 44097 H HD21 . ASN A 1 8 ? -23.356 -6.861 5.422 1.00 0.00 ? 8 ASN A HD21 32 ATOM 44098 H HD22 . ASN A 1 8 ? -22.928 -7.054 7.085 1.00 0.00 ? 8 ASN A HD22 32 ATOM 44099 N N . GLU A 1 9 ? -19.764 -4.341 2.287 1.00 0.00 ? 9 GLU A N 32 ATOM 44100 C CA . GLU A 1 9 ? -18.806 -4.578 1.219 1.00 0.00 ? 9 GLU A CA 32 ATOM 44101 C C . GLU A 1 9 ? -17.593 -3.673 1.384 1.00 0.00 ? 9 GLU A C 32 ATOM 44102 O O . GLU A 1 9 ? -16.457 -4.148 1.440 1.00 0.00 ? 9 GLU A O 32 ATOM 44103 C CB . GLU A 1 9 ? -19.455 -4.345 -0.147 1.00 0.00 ? 9 GLU A CB 32 ATOM 44104 C CG . GLU A 1 9 ? -19.211 -5.471 -1.137 1.00 0.00 ? 9 GLU A CG 32 ATOM 44105 C CD . GLU A 1 9 ? -20.242 -6.578 -1.027 1.00 0.00 ? 9 GLU A CD 32 ATOM 44106 O OE1 . GLU A 1 9 ? -20.069 -7.467 -0.166 1.00 0.00 ? 9 GLU A OE1 32 ATOM 44107 O OE2 . GLU A 1 9 ? -21.221 -6.556 -1.801 1.00 0.00 ? 9 GLU A OE2 32 ATOM 44108 H H . GLU A 1 9 ? -20.680 -4.068 2.059 1.00 0.00 ? 9 GLU A H 32 ATOM 44109 H HA . GLU A 1 9 ? -18.482 -5.606 1.287 1.00 0.00 ? 9 GLU A HA 32 ATOM 44110 H HB2 . GLU A 1 9 ? -20.522 -4.239 -0.011 1.00 0.00 ? 9 GLU A HB2 32 ATOM 44111 H HB3 . GLU A 1 9 ? -19.062 -3.432 -0.569 1.00 0.00 ? 9 GLU A HB3 32 ATOM 44112 H HG2 . GLU A 1 9 ? -19.245 -5.068 -2.137 1.00 0.00 ? 9 GLU A HG2 32 ATOM 44113 H HG3 . GLU A 1 9 ? -18.233 -5.890 -0.952 1.00 0.00 ? 9 GLU A HG3 32 ATOM 44114 N N . ILE A 1 10 ? -17.834 -2.369 1.476 1.00 0.00 ? 10 ILE A N 32 ATOM 44115 C CA . ILE A 1 10 ? -16.745 -1.424 1.650 1.00 0.00 ? 10 ILE A CA 32 ATOM 44116 C C . ILE A 1 10 ? -15.995 -1.711 2.942 1.00 0.00 ? 10 ILE A C 32 ATOM 44117 O O . ILE A 1 10 ? -14.822 -1.379 3.075 1.00 0.00 ? 10 ILE A O 32 ATOM 44118 C CB . ILE A 1 10 ? -17.239 0.033 1.641 1.00 0.00 ? 10 ILE A CB 32 ATOM 44119 C CG1 . ILE A 1 10 ? -18.059 0.344 2.893 1.00 0.00 ? 10 ILE A CG1 32 ATOM 44120 C CG2 . ILE A 1 10 ? -18.060 0.289 0.393 1.00 0.00 ? 10 ILE A CG2 32 ATOM 44121 C CD1 . ILE A 1 10 ? -18.594 1.759 2.915 1.00 0.00 ? 10 ILE A CD1 32 ATOM 44122 H H . ILE A 1 10 ? -18.759 -2.039 1.437 1.00 0.00 ? 10 ILE A H 32 ATOM 44123 H HA . ILE A 1 10 ? -16.063 -1.554 0.822 1.00 0.00 ? 10 ILE A HA 32 ATOM 44124 H HB . ILE A 1 10 ? -16.376 0.681 1.614 1.00 0.00 ? 10 ILE A HB 32 ATOM 44125 H HG12 . ILE A 1 10 ? -18.900 -0.331 2.942 1.00 0.00 ? 10 ILE A HG12 32 ATOM 44126 H HG13 . ILE A 1 10 ? -17.439 0.207 3.767 1.00 0.00 ? 10 ILE A HG13 32 ATOM 44127 H HG21 . ILE A 1 10 ? -18.597 -0.609 0.124 1.00 0.00 ? 10 ILE A HG21 32 ATOM 44128 H HG22 . ILE A 1 10 ? -18.765 1.085 0.581 1.00 0.00 ? 10 ILE A HG22 32 ATOM 44129 H HG23 . ILE A 1 10 ? -17.403 0.570 -0.417 1.00 0.00 ? 10 ILE A HG23 32 ATOM 44130 H HD11 . ILE A 1 10 ? -18.252 2.287 2.036 1.00 0.00 ? 10 ILE A HD11 32 ATOM 44131 H HD12 . ILE A 1 10 ? -19.674 1.736 2.923 1.00 0.00 ? 10 ILE A HD12 32 ATOM 44132 H HD13 . ILE A 1 10 ? -18.238 2.265 3.800 1.00 0.00 ? 10 ILE A HD13 32 ATOM 44133 N N . SER A 1 11 ? -16.673 -2.354 3.889 1.00 0.00 ? 11 SER A N 32 ATOM 44134 C CA . SER A 1 11 ? -16.050 -2.704 5.155 1.00 0.00 ? 11 SER A CA 32 ATOM 44135 C C . SER A 1 11 ? -14.860 -3.619 4.899 1.00 0.00 ? 11 SER A C 32 ATOM 44136 O O . SER A 1 11 ? -13.771 -3.417 5.443 1.00 0.00 ? 11 SER A O 32 ATOM 44137 C CB . SER A 1 11 ? -17.056 -3.393 6.077 1.00 0.00 ? 11 SER A CB 32 ATOM 44138 O OG . SER A 1 11 ? -16.807 -3.075 7.435 1.00 0.00 ? 11 SER A OG 32 ATOM 44139 H H . SER A 1 11 ? -17.604 -2.612 3.724 1.00 0.00 ? 11 SER A H 32 ATOM 44140 H HA . SER A 1 11 ? -15.701 -1.794 5.621 1.00 0.00 ? 11 SER A HA 32 ATOM 44141 H HB2 . SER A 1 11 ? -18.055 -3.069 5.823 1.00 0.00 ? 11 SER A HB2 32 ATOM 44142 H HB3 . SER A 1 11 ? -16.983 -4.463 5.951 1.00 0.00 ? 11 SER A HB3 32 ATOM 44143 H HG . SER A 1 11 ? -17.061 -2.165 7.603 1.00 0.00 ? 11 SER A HG 32 ATOM 44144 N N . HIS A 1 12 ? -15.071 -4.620 4.046 1.00 0.00 ? 12 HIS A N 32 ATOM 44145 C CA . HIS A 1 12 ? -14.012 -5.553 3.700 1.00 0.00 ? 12 HIS A CA 32 ATOM 44146 C C . HIS A 1 12 ? -12.912 -4.820 2.924 1.00 0.00 ? 12 HIS A C 32 ATOM 44147 O O . HIS A 1 12 ? -11.729 -5.133 3.060 1.00 0.00 ? 12 HIS A O 32 ATOM 44148 C CB . HIS A 1 12 ? -14.604 -6.751 2.917 1.00 0.00 ? 12 HIS A CB 32 ATOM 44149 C CG . HIS A 1 12 ? -13.955 -7.061 1.596 1.00 0.00 ? 12 HIS A CG 32 ATOM 44150 N ND1 . HIS A 1 12 ? -12.701 -7.626 1.485 1.00 0.00 ? 12 HIS A ND1 32 ATOM 44151 C CD2 . HIS A 1 12 ? -14.399 -6.884 0.332 1.00 0.00 ? 12 HIS A CD2 32 ATOM 44152 C CE1 . HIS A 1 12 ? -12.403 -7.781 0.206 1.00 0.00 ? 12 HIS A CE1 32 ATOM 44153 N NE2 . HIS A 1 12 ? -13.418 -7.339 -0.513 1.00 0.00 ? 12 HIS A NE2 32 ATOM 44154 H H . HIS A 1 12 ? -15.958 -4.721 3.630 1.00 0.00 ? 12 HIS A H 32 ATOM 44155 H HA . HIS A 1 12 ? -13.588 -5.918 4.624 1.00 0.00 ? 12 HIS A HA 32 ATOM 44156 H HB2 . HIS A 1 12 ? -14.523 -7.635 3.528 1.00 0.00 ? 12 HIS A HB2 32 ATOM 44157 H HB3 . HIS A 1 12 ? -15.650 -6.554 2.729 1.00 0.00 ? 12 HIS A HB3 32 ATOM 44158 H HD1 . HIS A 1 12 ? -12.116 -7.876 2.231 1.00 0.00 ? 12 HIS A HD1 32 ATOM 44159 H HD2 . HIS A 1 12 ? -15.352 -6.460 0.043 1.00 0.00 ? 12 HIS A HD2 32 ATOM 44160 H HE1 . HIS A 1 12 ? -11.487 -8.199 -0.183 1.00 0.00 ? 12 HIS A HE1 32 ATOM 44161 H HE2 . HIS A 1 12 ? -13.460 -7.337 -1.492 1.00 0.00 ? 12 HIS A HE2 32 ATOM 44162 N N . HIS A 1 13 ? -13.313 -3.833 2.125 1.00 0.00 ? 13 HIS A N 32 ATOM 44163 C CA . HIS A 1 13 ? -12.359 -3.045 1.346 1.00 0.00 ? 13 HIS A CA 32 ATOM 44164 C C . HIS A 1 13 ? -11.585 -2.084 2.244 1.00 0.00 ? 13 HIS A C 32 ATOM 44165 O O . HIS A 1 13 ? -10.534 -1.575 1.859 1.00 0.00 ? 13 HIS A O 32 ATOM 44166 C CB . HIS A 1 13 ? -13.071 -2.241 0.259 1.00 0.00 ? 13 HIS A CB 32 ATOM 44167 C CG . HIS A 1 13 ? -14.027 -3.036 -0.569 1.00 0.00 ? 13 HIS A CG 32 ATOM 44168 N ND1 . HIS A 1 13 ? -13.832 -4.361 -0.895 1.00 0.00 ? 13 HIS A ND1 32 ATOM 44169 C CD2 . HIS A 1 13 ? -15.191 -2.673 -1.151 1.00 0.00 ? 13 HIS A CD2 32 ATOM 44170 C CE1 . HIS A 1 13 ? -14.838 -4.779 -1.643 1.00 0.00 ? 13 HIS A CE1 32 ATOM 44171 N NE2 . HIS A 1 13 ? -15.676 -3.773 -1.812 1.00 0.00 ? 13 HIS A NE2 32 ATOM 44172 H H . HIS A 1 13 ? -14.270 -3.622 2.066 1.00 0.00 ? 13 HIS A H 32 ATOM 44173 H HA . HIS A 1 13 ? -11.664 -3.728 0.883 1.00 0.00 ? 13 HIS A HA 32 ATOM 44174 H HB2 . HIS A 1 13 ? -13.626 -1.440 0.721 1.00 0.00 ? 13 HIS A HB2 32 ATOM 44175 H HB3 . HIS A 1 13 ? -12.330 -1.818 -0.405 1.00 0.00 ? 13 HIS A HB3 32 ATOM 44176 H HD1 . HIS A 1 13 ? -13.070 -4.914 -0.619 1.00 0.00 ? 13 HIS A HD1 32 ATOM 44177 H HD2 . HIS A 1 13 ? -15.650 -1.696 -1.101 1.00 0.00 ? 13 HIS A HD2 32 ATOM 44178 H HE1 . HIS A 1 13 ? -14.955 -5.774 -2.047 1.00 0.00 ? 13 HIS A HE1 32 ATOM 44179 H HE2 . HIS A 1 13 ? -16.509 -3.810 -2.326 1.00 0.00 ? 13 HIS A HE2 32 ATOM 44180 N N . ALA A 1 14 ? -12.113 -1.830 3.440 1.00 0.00 ? 14 ALA A N 32 ATOM 44181 C CA . ALA A 1 14 ? -11.468 -0.926 4.381 1.00 0.00 ? 14 ALA A CA 32 ATOM 44182 C C . ALA A 1 14 ? -10.327 -1.626 5.101 1.00 0.00 ? 14 ALA A C 32 ATOM 44183 O O . ALA A 1 14 ? -9.265 -1.044 5.318 1.00 0.00 ? 14 ALA A O 32 ATOM 44184 C CB . ALA A 1 14 ? -12.480 -0.387 5.381 1.00 0.00 ? 14 ALA A CB 32 ATOM 44185 H H . ALA A 1 14 ? -12.955 -2.259 3.694 1.00 0.00 ? 14 ALA A H 32 ATOM 44186 H HA . ALA A 1 14 ? -11.067 -0.093 3.821 1.00 0.00 ? 14 ALA A HA 32 ATOM 44187 H HB1 . ALA A 1 14 ? -13.450 -0.817 5.177 1.00 0.00 ? 14 ALA A HB1 32 ATOM 44188 H HB2 . ALA A 1 14 ? -12.537 0.688 5.292 1.00 0.00 ? 14 ALA A HB2 32 ATOM 44189 H HB3 . ALA A 1 14 ? -12.173 -0.651 6.382 1.00 0.00 ? 14 ALA A HB3 32 ATOM 44190 N N . LYS A 1 15 ? -10.550 -2.883 5.461 1.00 0.00 ? 15 LYS A N 32 ATOM 44191 C CA . LYS A 1 15 ? -9.528 -3.665 6.143 1.00 0.00 ? 15 LYS A CA 32 ATOM 44192 C C . LYS A 1 15 ? -8.479 -4.152 5.149 1.00 0.00 ? 15 LYS A C 32 ATOM 44193 O O . LYS A 1 15 ? -7.332 -4.408 5.516 1.00 0.00 ? 15 LYS A O 32 ATOM 44194 C CB . LYS A 1 15 ? -10.160 -4.857 6.866 1.00 0.00 ? 15 LYS A CB 32 ATOM 44195 C CG . LYS A 1 15 ? -9.591 -5.098 8.254 1.00 0.00 ? 15 LYS A CG 32 ATOM 44196 C CD . LYS A 1 15 ? -10.590 -5.808 9.152 1.00 0.00 ? 15 LYS A CD 32 ATOM 44197 C CE . LYS A 1 15 ? -10.028 -7.112 9.693 1.00 0.00 ? 15 LYS A CE 32 ATOM 44198 N NZ . LYS A 1 15 ? -10.743 -7.561 10.919 1.00 0.00 ? 15 LYS A NZ 32 ATOM 44199 H H . LYS A 1 15 ? -11.416 -3.297 5.255 1.00 0.00 ? 15 LYS A H 32 ATOM 44200 H HA . LYS A 1 15 ? -9.050 -3.024 6.868 1.00 0.00 ? 15 LYS A HA 32 ATOM 44201 H HB2 . LYS A 1 15 ? -11.222 -4.683 6.962 1.00 0.00 ? 15 LYS A HB2 32 ATOM 44202 H HB3 . LYS A 1 15 ? -10.003 -5.746 6.275 1.00 0.00 ? 15 LYS A HB3 32 ATOM 44203 H HG2 . LYS A 1 15 ? -8.705 -5.709 8.168 1.00 0.00 ? 15 LYS A HG2 32 ATOM 44204 H HG3 . LYS A 1 15 ? -9.332 -4.148 8.697 1.00 0.00 ? 15 LYS A HG3 32 ATOM 44205 H HD2 . LYS A 1 15 ? -10.836 -5.162 9.982 1.00 0.00 ? 15 LYS A HD2 32 ATOM 44206 H HD3 . LYS A 1 15 ? -11.484 -6.019 8.582 1.00 0.00 ? 15 LYS A HD3 32 ATOM 44207 H HE2 . LYS A 1 15 ? -10.122 -7.873 8.932 1.00 0.00 ? 15 LYS A HE2 32 ATOM 44208 H HE3 . LYS A 1 15 ? -8.983 -6.967 9.928 1.00 0.00 ? 15 LYS A HE3 32 ATOM 44209 H HZ1 . LYS A 1 15 ? -10.744 -6.803 11.631 1.00 0.00 ? 15 LYS A HZ1 32 ATOM 44210 H HZ2 . LYS A 1 15 ? -11.727 -7.806 10.688 1.00 0.00 ? 15 LYS A HZ2 32 ATOM 44211 H HZ3 . LYS A 1 15 ? -10.274 -8.398 11.320 1.00 0.00 ? 15 LYS A HZ3 32 ATOM 44212 N N . GLU A 1 16 ? -8.879 -4.269 3.885 1.00 0.00 ? 16 GLU A N 32 ATOM 44213 C CA . GLU A 1 16 ? -7.973 -4.718 2.835 1.00 0.00 ? 16 GLU A CA 32 ATOM 44214 C C . GLU A 1 16 ? -7.081 -3.575 2.363 1.00 0.00 ? 16 GLU A C 32 ATOM 44215 O O . GLU A 1 16 ? -5.901 -3.776 2.076 1.00 0.00 ? 16 GLU A O 32 ATOM 44216 C CB . GLU A 1 16 ? -8.766 -5.285 1.654 1.00 0.00 ? 16 GLU A CB 32 ATOM 44217 C CG . GLU A 1 16 ? -8.821 -6.804 1.631 1.00 0.00 ? 16 GLU A CG 32 ATOM 44218 C CD . GLU A 1 16 ? -9.627 -7.375 2.782 1.00 0.00 ? 16 GLU A CD 32 ATOM 44219 O OE1 . GLU A 1 16 ? -9.901 -6.627 3.745 1.00 0.00 ? 16 GLU A OE1 32 ATOM 44220 O OE2 . GLU A 1 16 ? -9.983 -8.571 2.722 1.00 0.00 ? 16 GLU A OE2 32 ATOM 44221 H H . GLU A 1 16 ? -9.804 -4.046 3.652 1.00 0.00 ? 16 GLU A H 32 ATOM 44222 H HA . GLU A 1 16 ? -7.351 -5.498 3.246 1.00 0.00 ? 16 GLU A HA 32 ATOM 44223 H HB2 . GLU A 1 16 ? -9.777 -4.910 1.701 1.00 0.00 ? 16 GLU A HB2 32 ATOM 44224 H HB3 . GLU A 1 16 ? -8.309 -4.949 0.735 1.00 0.00 ? 16 GLU A HB3 32 ATOM 44225 H HG2 . GLU A 1 16 ? -9.275 -7.121 0.704 1.00 0.00 ? 16 GLU A HG2 32 ATOM 44226 H HG3 . GLU A 1 16 ? -7.814 -7.189 1.690 1.00 0.00 ? 16 GLU A HG3 32 ATOM 44227 N N . ILE A 1 17 ? -7.649 -2.374 2.285 1.00 0.00 ? 17 ILE A N 32 ATOM 44228 C CA . ILE A 1 17 ? -6.897 -1.204 1.853 1.00 0.00 ? 17 ILE A CA 32 ATOM 44229 C C . ILE A 1 17 ? -5.979 -0.711 2.967 1.00 0.00 ? 17 ILE A C 32 ATOM 44230 O O . ILE A 1 17 ? -4.874 -0.234 2.709 1.00 0.00 ? 17 ILE A O 32 ATOM 44231 C CB . ILE A 1 17 ? -7.851 -0.071 1.414 1.00 0.00 ? 17 ILE A CB 32 ATOM 44232 C CG1 . ILE A 1 17 ? -7.076 1.112 0.826 1.00 0.00 ? 17 ILE A CG1 32 ATOM 44233 C CG2 . ILE A 1 17 ? -8.722 0.375 2.580 1.00 0.00 ? 17 ILE A CG2 32 ATOM 44234 C CD1 . ILE A 1 17 ? -6.312 1.930 1.846 1.00 0.00 ? 17 ILE A CD1 32 ATOM 44235 H H . ILE A 1 17 ? -8.597 -2.269 2.530 1.00 0.00 ? 17 ILE A H 32 ATOM 44236 H HA . ILE A 1 17 ? -6.291 -1.487 1.004 1.00 0.00 ? 17 ILE A HA 32 ATOM 44237 H HB . ILE A 1 17 ? -8.502 -0.472 0.648 1.00 0.00 ? 17 ILE A HB 32 ATOM 44238 H HG12 . ILE A 1 17 ? -6.370 0.740 0.103 1.00 0.00 ? 17 ILE A HG12 32 ATOM 44239 H HG13 . ILE A 1 17 ? -7.771 1.772 0.331 1.00 0.00 ? 17 ILE A HG13 32 ATOM 44240 H HG21 . ILE A 1 17 ? -8.881 -0.458 3.247 1.00 0.00 ? 17 ILE A HG21 32 ATOM 44241 H HG22 . ILE A 1 17 ? -8.231 1.174 3.115 1.00 0.00 ? 17 ILE A HG22 32 ATOM 44242 H HG23 . ILE A 1 17 ? -9.673 0.723 2.205 1.00 0.00 ? 17 ILE A HG23 32 ATOM 44243 H HD11 . ILE A 1 17 ? -6.664 1.687 2.838 1.00 0.00 ? 17 ILE A HD11 32 ATOM 44244 H HD12 . ILE A 1 17 ? -5.258 1.705 1.773 1.00 0.00 ? 17 ILE A HD12 32 ATOM 44245 H HD13 . ILE A 1 17 ? -6.470 2.981 1.657 1.00 0.00 ? 17 ILE A HD13 32 ATOM 44246 N N . GLU A 1 18 ? -6.434 -0.837 4.208 1.00 0.00 ? 18 GLU A N 32 ATOM 44247 C CA . GLU A 1 18 ? -5.643 -0.405 5.353 1.00 0.00 ? 18 GLU A CA 32 ATOM 44248 C C . GLU A 1 18 ? -4.566 -1.430 5.685 1.00 0.00 ? 18 GLU A C 32 ATOM 44249 O O . GLU A 1 18 ? -3.515 -1.089 6.230 1.00 0.00 ? 18 GLU A O 32 ATOM 44250 C CB . GLU A 1 18 ? -6.545 -0.181 6.568 1.00 0.00 ? 18 GLU A CB 32 ATOM 44251 C CG . GLU A 1 18 ? -5.785 0.228 7.820 1.00 0.00 ? 18 GLU A CG 32 ATOM 44252 C CD . GLU A 1 18 ? -6.558 -0.064 9.092 1.00 0.00 ? 18 GLU A CD 32 ATOM 44253 O OE1 . GLU A 1 18 ? -7.643 0.526 9.275 1.00 0.00 ? 18 GLU A OE1 32 ATOM 44254 O OE2 . GLU A 1 18 ? -6.078 -0.882 9.904 1.00 0.00 ? 18 GLU A OE2 32 ATOM 44255 H H . GLU A 1 18 ? -7.319 -1.231 4.357 1.00 0.00 ? 18 GLU A H 32 ATOM 44256 H HA . GLU A 1 18 ? -5.166 0.528 5.092 1.00 0.00 ? 18 GLU A HA 32 ATOM 44257 H HB2 . GLU A 1 18 ? -7.257 0.596 6.336 1.00 0.00 ? 18 GLU A HB2 32 ATOM 44258 H HB3 . GLU A 1 18 ? -7.079 -1.096 6.780 1.00 0.00 ? 18 GLU A HB3 32 ATOM 44259 H HG2 . GLU A 1 18 ? -4.852 -0.314 7.853 1.00 0.00 ? 18 GLU A HG2 32 ATOM 44260 H HG3 . GLU A 1 18 ? -5.583 1.288 7.773 1.00 0.00 ? 18 GLU A HG3 32 ATOM 44261 N N . ARG A 1 19 ? -4.834 -2.689 5.355 1.00 0.00 ? 19 ARG A N 32 ATOM 44262 C CA . ARG A 1 19 ? -3.889 -3.765 5.623 1.00 0.00 ? 19 ARG A CA 32 ATOM 44263 C C . ARG A 1 19 ? -2.789 -3.814 4.567 1.00 0.00 ? 19 ARG A C 32 ATOM 44264 O O . ARG A 1 19 ? -1.638 -4.134 4.874 1.00 0.00 ? 19 ARG A O 32 ATOM 44265 C CB . ARG A 1 19 ? -4.617 -5.108 5.677 1.00 0.00 ? 19 ARG A CB 32 ATOM 44266 C CG . ARG A 1 19 ? -3.697 -6.287 5.949 1.00 0.00 ? 19 ARG A CG 32 ATOM 44267 C CD . ARG A 1 19 ? -4.219 -7.561 5.304 1.00 0.00 ? 19 ARG A CD 32 ATOM 44268 N NE . ARG A 1 19 ? -3.582 -8.753 5.857 1.00 0.00 ? 19 ARG A NE 32 ATOM 44269 C CZ . ARG A 1 19 ? -3.937 -9.310 7.010 1.00 0.00 ? 19 ARG A CZ 32 ATOM 44270 N NH1 . ARG A 1 19 ? -4.919 -8.783 7.728 1.00 0.00 ? 19 ARG A NH1 32 ATOM 44271 N NH2 . ARG A 1 19 ? -3.309 -10.394 7.446 1.00 0.00 ? 19 ARG A NH2 32 ATOM 44272 H H . ARG A 1 19 ? -5.690 -2.900 4.925 1.00 0.00 ? 19 ARG A H 32 ATOM 44273 H HA . ARG A 1 19 ? -3.437 -3.575 6.585 1.00 0.00 ? 19 ARG A HA 32 ATOM 44274 H HB2 . ARG A 1 19 ? -5.360 -5.071 6.459 1.00 0.00 ? 19 ARG A HB2 32 ATOM 44275 H HB3 . ARG A 1 19 ? -5.110 -5.276 4.731 1.00 0.00 ? 19 ARG A HB3 32 ATOM 44276 H HG2 . ARG A 1 19 ? -2.719 -6.068 5.549 1.00 0.00 ? 19 ARG A HG2 32 ATOM 44277 H HG3 . ARG A 1 19 ? -3.627 -6.437 7.017 1.00 0.00 ? 19 ARG A HG3 32 ATOM 44278 H HD2 . ARG A 1 19 ? -5.284 -7.624 5.471 1.00 0.00 ? 19 ARG A HD2 32 ATOM 44279 H HD3 . ARG A 1 19 ? -4.023 -7.519 4.244 1.00 0.00 ? 19 ARG A HD3 32 ATOM 44280 H HE . ARG A 1 19 ? -2.853 -9.159 5.342 1.00 0.00 ? 19 ARG A HE 32 ATOM 44281 H HH11 . ARG A 1 19 ? -5.395 -7.966 7.402 1.00 0.00 ? 19 ARG A HH11 32 ATOM 44282 H HH12 . ARG A 1 19 ? -5.185 -9.203 8.596 1.00 0.00 ? 19 ARG A HH12 32 ATOM 44283 H HH21 . ARG A 1 19 ? -2.568 -10.794 6.906 1.00 0.00 ? 19 ARG A HH21 32 ATOM 44284 H HH22 . ARG A 1 19 ? -3.578 -10.811 8.314 1.00 0.00 ? 19 ARG A HH22 32 ATOM 44285 N N . LEU A 1 20 ? -3.137 -3.492 3.323 1.00 0.00 ? 20 LEU A N 32 ATOM 44286 C CA . LEU A 1 20 ? -2.166 -3.507 2.246 1.00 0.00 ? 20 LEU A CA 32 ATOM 44287 C C . LEU A 1 20 ? -1.323 -2.239 2.282 1.00 0.00 ? 20 LEU A C 32 ATOM 44288 O O . LEU A 1 20 ? -0.173 -2.237 1.845 1.00 0.00 ? 20 LEU A O 32 ATOM 44289 C CB . LEU A 1 20 ? -2.871 -3.662 0.899 1.00 0.00 ? 20 LEU A CB 32 ATOM 44290 C CG . LEU A 1 20 ? -3.595 -4.994 0.697 1.00 0.00 ? 20 LEU A CG 32 ATOM 44291 C CD1 . LEU A 1 20 ? -4.447 -4.954 -0.562 1.00 0.00 ? 20 LEU A CD1 32 ATOM 44292 C CD2 . LEU A 1 20 ? -2.596 -6.139 0.630 1.00 0.00 ? 20 LEU A CD2 32 ATOM 44293 H H . LEU A 1 20 ? -4.062 -3.233 3.127 1.00 0.00 ? 20 LEU A H 32 ATOM 44294 H HA . LEU A 1 20 ? -1.518 -4.357 2.402 1.00 0.00 ? 20 LEU A HA 32 ATOM 44295 H HB2 . LEU A 1 20 ? -3.592 -2.864 0.801 1.00 0.00 ? 20 LEU A HB2 32 ATOM 44296 H HB3 . LEU A 1 20 ? -2.135 -3.557 0.116 1.00 0.00 ? 20 LEU A HB3 32 ATOM 44297 H HG . LEU A 1 20 ? -4.252 -5.170 1.536 1.00 0.00 ? 20 LEU A HG 32 ATOM 44298 H HD11 . LEU A 1 20 ? -3.886 -4.491 -1.362 1.00 0.00 ? 20 LEU A HD11 32 ATOM 44299 H HD12 . LEU A 1 20 ? -4.716 -5.959 -0.847 1.00 0.00 ? 20 LEU A HD12 32 ATOM 44300 H HD13 . LEU A 1 20 ? -5.343 -4.381 -0.374 1.00 0.00 ? 20 LEU A HD13 32 ATOM 44301 H HD21 . LEU A 1 20 ? -2.001 -6.150 1.531 1.00 0.00 ? 20 LEU A HD21 32 ATOM 44302 H HD22 . LEU A 1 20 ? -3.127 -7.075 0.537 1.00 0.00 ? 20 LEU A HD22 32 ATOM 44303 H HD23 . LEU A 1 20 ? -1.951 -6.005 -0.225 1.00 0.00 ? 20 LEU A HD23 32 ATOM 44304 N N . GLN A 1 21 ? -1.892 -1.167 2.833 1.00 0.00 ? 21 GLN A N 32 ATOM 44305 C CA . GLN A 1 21 ? -1.175 0.095 2.953 1.00 0.00 ? 21 GLN A CA 32 ATOM 44306 C C . GLN A 1 21 ? -0.152 -0.004 4.078 1.00 0.00 ? 21 GLN A C 32 ATOM 44307 O O . GLN A 1 21 ? 0.964 0.501 3.965 1.00 0.00 ? 21 GLN A O 32 ATOM 44308 C CB . GLN A 1 21 ? -2.146 1.253 3.223 1.00 0.00 ? 21 GLN A CB 32 ATOM 44309 C CG . GLN A 1 21 ? -1.460 2.552 3.618 1.00 0.00 ? 21 GLN A CG 32 ATOM 44310 C CD . GLN A 1 21 ? -1.783 3.693 2.673 1.00 0.00 ? 21 GLN A CD 32 ATOM 44311 O OE1 . GLN A 1 21 ? -2.517 4.617 3.025 1.00 0.00 ? 21 GLN A OE1 32 ATOM 44312 N NE2 . GLN A 1 21 ? -1.236 3.634 1.465 1.00 0.00 ? 21 GLN A NE2 32 ATOM 44313 H H . GLN A 1 21 ? -2.808 -1.233 3.182 1.00 0.00 ? 21 GLN A H 32 ATOM 44314 H HA . GLN A 1 21 ? -0.653 0.272 2.024 1.00 0.00 ? 21 GLN A HA 32 ATOM 44315 H HB2 . GLN A 1 21 ? -2.724 1.438 2.330 1.00 0.00 ? 21 GLN A HB2 32 ATOM 44316 H HB3 . GLN A 1 21 ? -2.815 0.966 4.021 1.00 0.00 ? 21 GLN A HB3 32 ATOM 44317 H HG2 . GLN A 1 21 ? -1.782 2.826 4.611 1.00 0.00 ? 21 GLN A HG2 32 ATOM 44318 H HG3 . GLN A 1 21 ? -0.392 2.395 3.618 1.00 0.00 ? 21 GLN A HG3 32 ATOM 44319 H HE21 . GLN A 1 21 ? -0.661 2.869 1.254 1.00 0.00 ? 21 GLN A HE21 32 ATOM 44320 H HE22 . GLN A 1 21 ? -1.427 4.359 0.833 1.00 0.00 ? 21 GLN A HE22 32 ATOM 44321 N N . LYS A 1 22 ? -0.542 -0.672 5.160 1.00 0.00 ? 22 LYS A N 32 ATOM 44322 C CA . LYS A 1 22 ? 0.343 -0.855 6.301 1.00 0.00 ? 22 LYS A CA 32 ATOM 44323 C C . LYS A 1 22 ? 1.574 -1.648 5.888 1.00 0.00 ? 22 LYS A C 32 ATOM 44324 O O . LYS A 1 22 ? 2.704 -1.275 6.207 1.00 0.00 ? 22 LYS A O 32 ATOM 44325 C CB . LYS A 1 22 ? -0.390 -1.575 7.436 1.00 0.00 ? 22 LYS A CB 32 ATOM 44326 C CG . LYS A 1 22 ? 0.495 -1.889 8.631 1.00 0.00 ? 22 LYS A CG 32 ATOM 44327 C CD . LYS A 1 22 ? 0.006 -3.118 9.379 1.00 0.00 ? 22 LYS A CD 32 ATOM 44328 C CE . LYS A 1 22 ? 0.361 -4.398 8.639 1.00 0.00 ? 22 LYS A CE 32 ATOM 44329 N NZ . LYS A 1 22 ? -0.274 -5.593 9.262 1.00 0.00 ? 22 LYS A NZ 32 ATOM 44330 H H . LYS A 1 22 ? -1.443 -1.060 5.185 1.00 0.00 ? 22 LYS A H 32 ATOM 44331 H HA . LYS A 1 22 ? 0.651 0.121 6.643 1.00 0.00 ? 22 LYS A HA 32 ATOM 44332 H HB2 . LYS A 1 22 ? -1.207 -0.953 7.773 1.00 0.00 ? 22 LYS A HB2 32 ATOM 44333 H HB3 . LYS A 1 22 ? -0.789 -2.504 7.057 1.00 0.00 ? 22 LYS A HB3 32 ATOM 44334 H HG2 . LYS A 1 22 ? 1.502 -2.067 8.285 1.00 0.00 ? 22 LYS A HG2 32 ATOM 44335 H HG3 . LYS A 1 22 ? 0.489 -1.042 9.303 1.00 0.00 ? 22 LYS A HG3 32 ATOM 44336 H HD2 . LYS A 1 22 ? 0.465 -3.139 10.356 1.00 0.00 ? 22 LYS A HD2 32 ATOM 44337 H HD3 . LYS A 1 22 ? -1.067 -3.059 9.485 1.00 0.00 ? 22 LYS A HD3 32 ATOM 44338 H HE2 . LYS A 1 22 ? 0.023 -4.313 7.618 1.00 0.00 ? 22 LYS A HE2 32 ATOM 44339 H HE3 . LYS A 1 22 ? 1.434 -4.521 8.655 1.00 0.00 ? 22 LYS A HE3 32 ATOM 44340 H HZ1 . LYS A 1 22 ? -0.029 -5.641 10.272 1.00 0.00 ? 22 LYS A HZ1 32 ATOM 44341 H HZ2 . LYS A 1 22 ? -1.308 -5.538 9.168 1.00 0.00 ? 22 LYS A HZ2 32 ATOM 44342 H HZ3 . LYS A 1 22 ? 0.060 -6.459 8.793 1.00 0.00 ? 22 LYS A HZ3 32 ATOM 44343 N N . GLU A 1 23 ? 1.350 -2.743 5.166 1.00 0.00 ? 23 GLU A N 32 ATOM 44344 C CA . GLU A 1 23 ? 2.446 -3.583 4.701 1.00 0.00 ? 23 GLU A CA 32 ATOM 44345 C C . GLU A 1 23 ? 3.403 -2.778 3.829 1.00 0.00 ? 23 GLU A C 32 ATOM 44346 O O . GLU A 1 23 ? 4.615 -2.767 4.062 1.00 0.00 ? 23 GLU A O 32 ATOM 44347 C CB . GLU A 1 23 ? 1.906 -4.782 3.918 1.00 0.00 ? 23 GLU A CB 32 ATOM 44348 C CG . GLU A 1 23 ? 2.688 -6.063 4.151 1.00 0.00 ? 23 GLU A CG 32 ATOM 44349 C CD . GLU A 1 23 ? 1.869 -7.125 4.858 1.00 0.00 ? 23 GLU A CD 32 ATOM 44350 O OE1 . GLU A 1 23 ? 0.827 -6.774 5.451 1.00 0.00 ? 23 GLU A OE1 32 ATOM 44351 O OE2 . GLU A 1 23 ? 2.268 -8.308 4.817 1.00 0.00 ? 23 GLU A OE2 32 ATOM 44352 H H . GLU A 1 23 ? 0.426 -2.988 4.938 1.00 0.00 ? 23 GLU A H 32 ATOM 44353 H HA . GLU A 1 23 ? 2.982 -3.939 5.568 1.00 0.00 ? 23 GLU A HA 32 ATOM 44354 H HB2 . GLU A 1 23 ? 0.879 -4.954 4.209 1.00 0.00 ? 23 GLU A HB2 32 ATOM 44355 H HB3 . GLU A 1 23 ? 1.937 -4.552 2.864 1.00 0.00 ? 23 GLU A HB3 32 ATOM 44356 H HG2 . GLU A 1 23 ? 3.007 -6.453 3.196 1.00 0.00 ? 23 GLU A HG2 32 ATOM 44357 H HG3 . GLU A 1 23 ? 3.555 -5.836 4.754 1.00 0.00 ? 23 GLU A HG3 32 ATOM 44358 N N . ILE A 1 24 ? 2.854 -2.093 2.828 1.00 0.00 ? 24 ILE A N 32 ATOM 44359 C CA . ILE A 1 24 ? 3.669 -1.280 1.936 1.00 0.00 ? 24 ILE A CA 32 ATOM 44360 C C . ILE A 1 24 ? 4.313 -0.121 2.691 1.00 0.00 ? 24 ILE A C 32 ATOM 44361 O O . ILE A 1 24 ? 5.301 0.454 2.234 1.00 0.00 ? 24 ILE A O 32 ATOM 44362 C CB . ILE A 1 24 ? 2.856 -0.734 0.746 1.00 0.00 ? 24 ILE A CB 32 ATOM 44363 C CG1 . ILE A 1 24 ? 3.752 0.111 -0.170 1.00 0.00 ? 24 ILE A CG1 32 ATOM 44364 C CG2 . ILE A 1 24 ? 1.641 0.049 1.218 1.00 0.00 ? 24 ILE A CG2 32 ATOM 44365 C CD1 . ILE A 1 24 ? 3.865 1.571 0.230 1.00 0.00 ? 24 ILE A CD1 32 ATOM 44366 H H . ILE A 1 24 ? 1.882 -2.130 2.694 1.00 0.00 ? 24 ILE A H 32 ATOM 44367 H HA . ILE A 1 24 ? 4.453 -1.913 1.545 1.00 0.00 ? 24 ILE A HA 32 ATOM 44368 H HB . ILE A 1 24 ? 2.491 -1.575 0.187 1.00 0.00 ? 24 ILE A HB 32 ATOM 44369 H HG12 . ILE A 1 24 ? 4.747 -0.307 -0.166 1.00 0.00 ? 24 ILE A HG12 32 ATOM 44370 H HG13 . ILE A 1 24 ? 3.359 0.071 -1.172 1.00 0.00 ? 24 ILE A HG13 32 ATOM 44371 H HG21 . ILE A 1 24 ? 1.134 -0.503 1.992 1.00 0.00 ? 24 ILE A HG21 32 ATOM 44372 H HG22 . ILE A 1 24 ? 1.955 1.006 1.604 1.00 0.00 ? 24 ILE A HG22 32 ATOM 44373 H HG23 . ILE A 1 24 ? 0.972 0.197 0.383 1.00 0.00 ? 24 ILE A HG23 32 ATOM 44374 H HD11 . ILE A 1 24 ? 3.545 1.690 1.254 1.00 0.00 ? 24 ILE A HD11 32 ATOM 44375 H HD12 . ILE A 1 24 ? 4.888 1.895 0.136 1.00 0.00 ? 24 ILE A HD12 32 ATOM 44376 H HD13 . ILE A 1 24 ? 3.238 2.169 -0.414 1.00 0.00 ? 24 ILE A HD13 32 ATOM 44377 N N . GLU A 1 25 ? 3.762 0.205 3.857 1.00 0.00 ? 25 GLU A N 32 ATOM 44378 C CA . GLU A 1 25 ? 4.301 1.280 4.676 1.00 0.00 ? 25 GLU A CA 32 ATOM 44379 C C . GLU A 1 25 ? 5.631 0.851 5.281 1.00 0.00 ? 25 GLU A C 32 ATOM 44380 O O . GLU A 1 25 ? 6.575 1.637 5.357 1.00 0.00 ? 25 GLU A O 32 ATOM 44381 C CB . GLU A 1 25 ? 3.314 1.655 5.784 1.00 0.00 ? 25 GLU A CB 32 ATOM 44382 C CG . GLU A 1 25 ? 3.537 3.045 6.353 1.00 0.00 ? 25 GLU A CG 32 ATOM 44383 C CD . GLU A 1 25 ? 2.576 3.375 7.478 1.00 0.00 ? 25 GLU A CD 32 ATOM 44384 O OE1 . GLU A 1 25 ? 2.012 2.433 8.072 1.00 0.00 ? 25 GLU A OE1 32 ATOM 44385 O OE2 . GLU A 1 25 ? 2.386 4.576 7.764 1.00 0.00 ? 25 GLU A OE2 32 ATOM 44386 H H . GLU A 1 25 ? 2.984 -0.295 4.179 1.00 0.00 ? 25 GLU A H 32 ATOM 44387 H HA . GLU A 1 25 ? 4.463 2.137 4.040 1.00 0.00 ? 25 GLU A HA 32 ATOM 44388 H HB2 . GLU A 1 25 ? 2.311 1.607 5.387 1.00 0.00 ? 25 GLU A HB2 32 ATOM 44389 H HB3 . GLU A 1 25 ? 3.407 0.940 6.589 1.00 0.00 ? 25 GLU A HB3 32 ATOM 44390 H HG2 . GLU A 1 25 ? 4.545 3.108 6.732 1.00 0.00 ? 25 GLU A HG2 32 ATOM 44391 H HG3 . GLU A 1 25 ? 3.404 3.770 5.562 1.00 0.00 ? 25 GLU A HG3 32 ATOM 44392 N N . ARG A 1 26 ? 5.699 -0.411 5.696 1.00 0.00 ? 26 ARG A N 32 ATOM 44393 C CA . ARG A 1 26 ? 6.916 -0.959 6.280 1.00 0.00 ? 26 ARG A CA 32 ATOM 44394 C C . ARG A 1 26 ? 8.023 -1.014 5.235 1.00 0.00 ? 26 ARG A C 32 ATOM 44395 O O . ARG A 1 26 ? 9.143 -0.555 5.473 1.00 0.00 ? 26 ARG A O 32 ATOM 44396 C CB . ARG A 1 26 ? 6.655 -2.356 6.844 1.00 0.00 ? 26 ARG A CB 32 ATOM 44397 C CG . ARG A 1 26 ? 6.112 -2.348 8.262 1.00 0.00 ? 26 ARG A CG 32 ATOM 44398 C CD . ARG A 1 26 ? 5.427 -3.662 8.604 1.00 0.00 ? 26 ARG A CD 32 ATOM 44399 N NE . ARG A 1 26 ? 6.327 -4.587 9.287 1.00 0.00 ? 26 ARG A NE 32 ATOM 44400 C CZ . ARG A 1 26 ? 6.069 -5.880 9.447 1.00 0.00 ? 26 ARG A CZ 32 ATOM 44401 N NH1 . ARG A 1 26 ? 4.943 -6.398 8.976 1.00 0.00 ? 26 ARG A NH1 32 ATOM 44402 N NH2 . ARG A 1 26 ? 6.937 -6.658 10.080 1.00 0.00 ? 26 ARG A NH2 32 ATOM 44403 H H . ARG A 1 26 ? 4.913 -0.991 5.598 1.00 0.00 ? 26 ARG A H 32 ATOM 44404 H HA . ARG A 1 26 ? 7.223 -0.305 7.082 1.00 0.00 ? 26 ARG A HA 32 ATOM 44405 H HB2 . ARG A 1 26 ? 5.940 -2.860 6.210 1.00 0.00 ? 26 ARG A HB2 32 ATOM 44406 H HB3 . ARG A 1 26 ? 7.581 -2.913 6.839 1.00 0.00 ? 26 ARG A HB3 32 ATOM 44407 H HG2 . ARG A 1 26 ? 6.930 -2.192 8.950 1.00 0.00 ? 26 ARG A HG2 32 ATOM 44408 H HG3 . ARG A 1 26 ? 5.398 -1.543 8.360 1.00 0.00 ? 26 ARG A HG3 32 ATOM 44409 H HD2 . ARG A 1 26 ? 4.583 -3.457 9.246 1.00 0.00 ? 26 ARG A HD2 32 ATOM 44410 H HD3 . ARG A 1 26 ? 5.080 -4.120 7.690 1.00 0.00 ? 26 ARG A HD3 32 ATOM 44411 H HE . ARG A 1 26 ? 7.165 -4.225 9.643 1.00 0.00 ? 26 ARG A HE 32 ATOM 44412 H HH11 . ARG A 1 26 ? 4.286 -5.815 8.497 1.00 0.00 ? 26 ARG A HH11 32 ATOM 44413 H HH12 . ARG A 1 26 ? 4.751 -7.372 9.097 1.00 0.00 ? 26 ARG A HH12 32 ATOM 44414 H HH21 . ARG A 1 26 ? 7.787 -6.270 10.436 1.00 0.00 ? 26 ARG A HH21 32 ATOM 44415 H HH22 . ARG A 1 26 ? 6.741 -7.631 10.200 1.00 0.00 ? 26 ARG A HH22 32 ATOM 44416 N N . HIS A 1 27 ? 7.699 -1.566 4.068 1.00 0.00 ? 27 HIS A N 32 ATOM 44417 C CA . HIS A 1 27 ? 8.663 -1.663 2.984 1.00 0.00 ? 27 HIS A CA 32 ATOM 44418 C C . HIS A 1 27 ? 9.023 -0.274 2.470 1.00 0.00 ? 27 HIS A C 32 ATOM 44419 O O . HIS A 1 27 ? 10.091 -0.074 1.895 1.00 0.00 ? 27 HIS A O 32 ATOM 44420 C CB . HIS A 1 27 ? 8.102 -2.516 1.845 1.00 0.00 ? 27 HIS A CB 32 ATOM 44421 C CG . HIS A 1 27 ? 8.634 -3.915 1.826 1.00 0.00 ? 27 HIS A CG 32 ATOM 44422 N ND1 . HIS A 1 27 ? 9.979 -4.207 1.725 1.00 0.00 ? 27 HIS A ND1 32 ATOM 44423 C CD2 . HIS A 1 27 ? 7.996 -5.107 1.896 1.00 0.00 ? 27 HIS A CD2 32 ATOM 44424 C CE1 . HIS A 1 27 ? 10.145 -5.518 1.734 1.00 0.00 ? 27 HIS A CE1 32 ATOM 44425 N NE2 . HIS A 1 27 ? 8.957 -6.086 1.837 1.00 0.00 ? 27 HIS A NE2 32 ATOM 44426 H H . HIS A 1 27 ? 6.789 -1.902 3.928 1.00 0.00 ? 27 HIS A H 32 ATOM 44427 H HA . HIS A 1 27 ? 9.554 -2.134 3.373 1.00 0.00 ? 27 HIS A HA 32 ATOM 44428 H HB2 . HIS A 1 27 ? 7.028 -2.571 1.942 1.00 0.00 ? 27 HIS A HB2 32 ATOM 44429 H HB3 . HIS A 1 27 ? 8.349 -2.051 0.901 1.00 0.00 ? 27 HIS A HB3 32 ATOM 44430 H HD1 . HIS A 1 27 ? 10.704 -3.551 1.658 1.00 0.00 ? 27 HIS A HD1 32 ATOM 44431 H HD2 . HIS A 1 27 ? 6.930 -5.260 1.982 1.00 0.00 ? 27 HIS A HD2 32 ATOM 44432 H HE1 . HIS A 1 27 ? 11.090 -6.037 1.668 1.00 0.00 ? 27 HIS A HE1 32 ATOM 44433 H HE2 . HIS A 1 27 ? 8.792 -7.051 1.866 1.00 0.00 ? 27 HIS A HE2 32 ATOM 44434 N N . LYS A 1 28 ? 8.121 0.683 2.685 1.00 0.00 ? 28 LYS A N 32 ATOM 44435 C CA . LYS A 1 28 ? 8.340 2.053 2.246 1.00 0.00 ? 28 LYS A CA 32 ATOM 44436 C C . LYS A 1 28 ? 9.283 2.786 3.191 1.00 0.00 ? 28 LYS A C 32 ATOM 44437 O O . LYS A 1 28 ? 9.949 3.742 2.796 1.00 0.00 ? 28 LYS A O 32 ATOM 44438 C CB . LYS A 1 28 ? 7.010 2.801 2.150 1.00 0.00 ? 28 LYS A CB 32 ATOM 44439 C CG . LYS A 1 28 ? 7.152 4.234 1.664 1.00 0.00 ? 28 LYS A CG 32 ATOM 44440 C CD . LYS A 1 28 ? 6.465 5.212 2.606 1.00 0.00 ? 28 LYS A CD 32 ATOM 44441 C CE . LYS A 1 28 ? 4.972 4.946 2.692 1.00 0.00 ? 28 LYS A CE 32 ATOM 44442 N NZ . LYS A 1 28 ? 4.172 6.103 2.202 1.00 0.00 ? 28 LYS A NZ 32 ATOM 44443 H H . LYS A 1 28 ? 7.289 0.461 3.150 1.00 0.00 ? 28 LYS A H 32 ATOM 44444 H HA . LYS A 1 28 ? 8.794 2.017 1.272 1.00 0.00 ? 28 LYS A HA 32 ATOM 44445 H HB2 . LYS A 1 28 ? 6.362 2.274 1.464 1.00 0.00 ? 28 LYS A HB2 32 ATOM 44446 H HB3 . LYS A 1 28 ? 6.549 2.819 3.127 1.00 0.00 ? 28 LYS A HB3 32 ATOM 44447 H HG2 . LYS A 1 28 ? 8.200 4.483 1.607 1.00 0.00 ? 28 LYS A HG2 32 ATOM 44448 H HG3 . LYS A 1 28 ? 6.705 4.318 0.685 1.00 0.00 ? 28 LYS A HG3 32 ATOM 44449 H HD2 . LYS A 1 28 ? 6.896 5.110 3.591 1.00 0.00 ? 28 LYS A HD2 32 ATOM 44450 H HD3 . LYS A 1 28 ? 6.624 6.217 2.243 1.00 0.00 ? 28 LYS A HD3 32 ATOM 44451 H HE2 . LYS A 1 28 ? 4.738 4.079 2.092 1.00 0.00 ? 28 LYS A HE2 32 ATOM 44452 H HE3 . LYS A 1 28 ? 4.712 4.751 3.722 1.00 0.00 ? 28 LYS A HE3 32 ATOM 44453 H HZ1 . LYS A 1 28 ? 4.648 6.548 1.390 1.00 0.00 ? 28 LYS A HZ1 32 ATOM 44454 H HZ2 . LYS A 1 28 ? 3.228 5.785 1.905 1.00 0.00 ? 28 LYS A HZ2 32 ATOM 44455 H HZ3 . LYS A 1 28 ? 4.066 6.810 2.956 1.00 0.00 ? 28 LYS A HZ3 32 ATOM 44456 N N . GLN A 1 29 ? 9.341 2.331 4.436 1.00 0.00 ? 29 GLN A N 32 ATOM 44457 C CA . GLN A 1 29 ? 10.212 2.949 5.426 1.00 0.00 ? 29 GLN A CA 32 ATOM 44458 C C . GLN A 1 29 ? 11.653 2.495 5.226 1.00 0.00 ? 29 GLN A C 32 ATOM 44459 O O . GLN A 1 29 ? 12.588 3.280 5.377 1.00 0.00 ? 29 GLN A O 32 ATOM 44460 C CB . GLN A 1 29 ? 9.743 2.605 6.841 1.00 0.00 ? 29 GLN A CB 32 ATOM 44461 C CG . GLN A 1 29 ? 10.584 3.244 7.933 1.00 0.00 ? 29 GLN A CG 32 ATOM 44462 C CD . GLN A 1 29 ? 10.268 2.693 9.309 1.00 0.00 ? 29 GLN A CD 32 ATOM 44463 O OE1 . GLN A 1 29 ? 9.921 3.440 10.224 1.00 0.00 ? 29 GLN A OE1 32 ATOM 44464 N NE2 . GLN A 1 29 ? 10.388 1.380 9.463 1.00 0.00 ? 29 GLN A NE2 32 ATOM 44465 H H . GLN A 1 29 ? 8.789 1.563 4.694 1.00 0.00 ? 29 GLN A H 32 ATOM 44466 H HA . GLN A 1 29 ? 10.164 4.018 5.287 1.00 0.00 ? 29 GLN A HA 32 ATOM 44467 H HB2 . GLN A 1 29 ? 8.723 2.940 6.960 1.00 0.00 ? 29 GLN A HB2 32 ATOM 44468 H HB3 . GLN A 1 29 ? 9.778 1.533 6.969 1.00 0.00 ? 29 GLN A HB3 32 ATOM 44469 H HG2 . GLN A 1 29 ? 11.627 3.061 7.720 1.00 0.00 ? 29 GLN A HG2 32 ATOM 44470 H HG3 . GLN A 1 29 ? 10.400 4.309 7.936 1.00 0.00 ? 29 GLN A HG3 32 ATOM 44471 H HE21 . GLN A 1 29 ? 10.670 0.847 8.690 1.00 0.00 ? 29 GLN A HE21 32 ATOM 44472 H HE22 . GLN A 1 29 ? 10.190 0.997 10.343 1.00 0.00 ? 29 GLN A HE22 32 ATOM 44473 N N . SER A 1 30 ? 11.822 1.224 4.879 1.00 0.00 ? 30 SER A N 32 ATOM 44474 C CA . SER A 1 30 ? 13.152 0.669 4.652 1.00 0.00 ? 30 SER A CA 32 ATOM 44475 C C . SER A 1 30 ? 13.733 1.180 3.335 1.00 0.00 ? 30 SER A C 32 ATOM 44476 O O . SER A 1 30 ? 14.910 1.539 3.262 1.00 0.00 ? 30 SER A O 32 ATOM 44477 C CB . SER A 1 30 ? 13.094 -0.859 4.640 1.00 0.00 ? 30 SER A CB 32 ATOM 44478 O OG . SER A 1 30 ? 13.739 -1.403 5.779 1.00 0.00 ? 30 SER A OG 32 ATOM 44479 H H . SER A 1 30 ? 11.036 0.646 4.770 1.00 0.00 ? 30 SER A H 32 ATOM 44480 H HA . SER A 1 30 ? 13.789 0.992 5.462 1.00 0.00 ? 30 SER A HA 32 ATOM 44481 H HB2 . SER A 1 30 ? 12.063 -1.179 4.639 1.00 0.00 ? 30 SER A HB2 32 ATOM 44482 H HB3 . SER A 1 30 ? 13.587 -1.229 3.752 1.00 0.00 ? 30 SER A HB3 32 ATOM 44483 H HG . SER A 1 30 ? 14.267 -2.160 5.518 1.00 0.00 ? 30 SER A HG 32 ATOM 44484 N N . ILE A 1 31 ? 12.900 1.211 2.299 1.00 0.00 ? 31 ILE A N 32 ATOM 44485 C CA . ILE A 1 31 ? 13.331 1.679 0.987 1.00 0.00 ? 31 ILE A CA 32 ATOM 44486 C C . ILE A 1 31 ? 13.502 3.193 0.978 1.00 0.00 ? 31 ILE A C 32 ATOM 44487 O O . ILE A 1 31 ? 14.348 3.728 0.261 1.00 0.00 ? 31 ILE A O 32 ATOM 44488 C CB . ILE A 1 31 ? 12.324 1.264 -0.106 1.00 0.00 ? 31 ILE A CB 32 ATOM 44489 C CG1 . ILE A 1 31 ? 12.773 1.753 -1.482 1.00 0.00 ? 31 ILE A CG1 32 ATOM 44490 C CG2 . ILE A 1 31 ? 10.946 1.811 0.218 1.00 0.00 ? 31 ILE A CG2 32 ATOM 44491 C CD1 . ILE A 1 31 ? 13.848 0.897 -2.107 1.00 0.00 ? 31 ILE A CD1 32 ATOM 44492 H H . ILE A 1 31 ? 11.972 0.916 2.420 1.00 0.00 ? 31 ILE A H 32 ATOM 44493 H HA . ILE A 1 31 ? 14.285 1.220 0.767 1.00 0.00 ? 31 ILE A HA 32 ATOM 44494 H HB . ILE A 1 31 ? 12.265 0.184 -0.116 1.00 0.00 ? 31 ILE A HB 32 ATOM 44495 H HG12 . ILE A 1 31 ? 11.921 1.750 -2.148 1.00 0.00 ? 31 ILE A HG12 32 ATOM 44496 H HG13 . ILE A 1 31 ? 13.155 2.760 -1.395 1.00 0.00 ? 31 ILE A HG13 32 ATOM 44497 H HG21 . ILE A 1 31 ? 10.899 2.073 1.264 1.00 0.00 ? 31 ILE A HG21 32 ATOM 44498 H HG22 . ILE A 1 31 ? 10.757 2.689 -0.383 1.00 0.00 ? 31 ILE A HG22 32 ATOM 44499 H HG23 . ILE A 1 31 ? 10.201 1.060 0.001 1.00 0.00 ? 31 ILE A HG23 32 ATOM 44500 H HD11 . ILE A 1 31 ? 14.303 0.279 -1.346 1.00 0.00 ? 31 ILE A HD11 32 ATOM 44501 H HD12 . ILE A 1 31 ? 13.407 0.267 -2.865 1.00 0.00 ? 31 ILE A HD12 32 ATOM 44502 H HD13 . ILE A 1 31 ? 14.599 1.530 -2.554 1.00 0.00 ? 31 ILE A HD13 32 ATOM 44503 N N . LYS A 1 32 ? 12.703 3.879 1.789 1.00 0.00 ? 32 LYS A N 32 ATOM 44504 C CA . LYS A 1 32 ? 12.782 5.331 1.881 1.00 0.00 ? 32 LYS A CA 32 ATOM 44505 C C . LYS A 1 32 ? 13.948 5.747 2.771 1.00 0.00 ? 32 LYS A C 32 ATOM 44506 O O . LYS A 1 32 ? 14.463 6.860 2.658 1.00 0.00 ? 32 LYS A O 32 ATOM 44507 C CB . LYS A 1 32 ? 11.475 5.903 2.432 1.00 0.00 ? 32 LYS A CB 32 ATOM 44508 C CG . LYS A 1 32 ? 11.465 7.420 2.525 1.00 0.00 ? 32 LYS A CG 32 ATOM 44509 C CD . LYS A 1 32 ? 10.274 7.922 3.324 1.00 0.00 ? 32 LYS A CD 32 ATOM 44510 C CE . LYS A 1 32 ? 10.386 7.539 4.790 1.00 0.00 ? 32 LYS A CE 32 ATOM 44511 N NZ . LYS A 1 32 ? 9.353 6.543 5.185 1.00 0.00 ? 32 LYS A NZ 32 ATOM 44512 H H . LYS A 1 32 ? 12.055 3.398 2.347 1.00 0.00 ? 32 LYS A H 32 ATOM 44513 H HA . LYS A 1 32 ? 12.945 5.719 0.888 1.00 0.00 ? 32 LYS A HA 32 ATOM 44514 H HB2 . LYS A 1 32 ? 10.662 5.598 1.790 1.00 0.00 ? 32 LYS A HB2 32 ATOM 44515 H HB3 . LYS A 1 32 ? 11.308 5.504 3.421 1.00 0.00 ? 32 LYS A HB3 32 ATOM 44516 H HG2 . LYS A 1 32 ? 12.374 7.748 3.007 1.00 0.00 ? 32 LYS A HG2 32 ATOM 44517 H HG3 . LYS A 1 32 ? 11.417 7.831 1.527 1.00 0.00 ? 32 LYS A HG3 32 ATOM 44518 H HD2 . LYS A 1 32 ? 10.228 8.998 3.246 1.00 0.00 ? 32 LYS A HD2 32 ATOM 44519 H HD3 . LYS A 1 32 ? 9.372 7.490 2.916 1.00 0.00 ? 32 LYS A HD3 32 ATOM 44520 H HE2 . LYS A 1 32 ? 11.365 7.117 4.965 1.00 0.00 ? 32 LYS A HE2 32 ATOM 44521 H HE3 . LYS A 1 32 ? 10.266 8.428 5.392 1.00 0.00 ? 32 LYS A HE3 32 ATOM 44522 H HZ1 . LYS A 1 32 ? 9.107 5.942 4.373 1.00 0.00 ? 32 LYS A HZ1 32 ATOM 44523 H HZ2 . LYS A 1 32 ? 9.713 5.940 5.952 1.00 0.00 ? 32 LYS A HZ2 32 ATOM 44524 H HZ3 . LYS A 1 32 ? 8.495 7.029 5.515 1.00 0.00 ? 32 LYS A HZ3 32 ATOM 44525 N N . LYS A 1 33 ? 14.361 4.845 3.658 1.00 0.00 ? 33 LYS A N 32 ATOM 44526 C CA . LYS A 1 33 ? 15.466 5.116 4.566 1.00 0.00 ? 33 LYS A CA 32 ATOM 44527 C C . LYS A 1 33 ? 16.804 5.032 3.839 1.00 0.00 ? 33 LYS A C 32 ATOM 44528 O O . LYS A 1 33 ? 17.699 5.843 4.079 1.00 0.00 ? 33 LYS A O 32 ATOM 44529 C CB . LYS A 1 33 ? 15.446 4.133 5.738 1.00 0.00 ? 33 LYS A CB 32 ATOM 44530 C CG . LYS A 1 33 ? 16.569 4.355 6.738 1.00 0.00 ? 33 LYS A CG 32 ATOM 44531 C CD . LYS A 1 33 ? 16.250 3.721 8.083 1.00 0.00 ? 33 LYS A CD 32 ATOM 44532 C CE . LYS A 1 33 ? 15.103 4.436 8.778 1.00 0.00 ? 33 LYS A CE 32 ATOM 44533 N NZ . LYS A 1 33 ? 14.171 3.481 9.437 1.00 0.00 ? 33 LYS A NZ 32 ATOM 44534 H H . LYS A 1 33 ? 13.913 3.976 3.702 1.00 0.00 ? 33 LYS A H 32 ATOM 44535 H HA . LYS A 1 33 ? 15.343 6.119 4.946 1.00 0.00 ? 33 LYS A HA 32 ATOM 44536 H HB2 . LYS A 1 33 ? 14.505 4.231 6.259 1.00 0.00 ? 33 LYS A HB2 32 ATOM 44537 H HB3 . LYS A 1 33 ? 15.530 3.128 5.352 1.00 0.00 ? 33 LYS A HB3 32 ATOM 44538 H HG2 . LYS A 1 33 ? 17.476 3.915 6.350 1.00 0.00 ? 33 LYS A HG2 32 ATOM 44539 H HG3 . LYS A 1 33 ? 16.711 5.417 6.875 1.00 0.00 ? 33 LYS A HG3 32 ATOM 44540 H HD2 . LYS A 1 33 ? 15.974 2.689 7.926 1.00 0.00 ? 33 LYS A HD2 32 ATOM 44541 H HD3 . LYS A 1 33 ? 17.128 3.770 8.710 1.00 0.00 ? 33 LYS A HD3 32 ATOM 44542 H HE2 . LYS A 1 33 ? 15.512 5.101 9.525 1.00 0.00 ? 33 LYS A HE2 32 ATOM 44543 H HE3 . LYS A 1 33 ? 14.558 5.013 8.046 1.00 0.00 ? 33 LYS A HE3 32 ATOM 44544 H HZ1 . LYS A 1 33 ? 14.230 2.550 8.980 1.00 0.00 ? 33 LYS A HZ1 32 ATOM 44545 H HZ2 . LYS A 1 33 ? 14.417 3.378 10.443 1.00 0.00 ? 33 LYS A HZ2 32 ATOM 44546 H HZ3 . LYS A 1 33 ? 13.193 3.829 9.365 1.00 0.00 ? 33 LYS A HZ3 32 ATOM 44547 N N . LEU A 1 34 ? 16.939 4.054 2.947 1.00 0.00 ? 34 LEU A N 32 ATOM 44548 C CA . LEU A 1 34 ? 18.175 3.890 2.194 1.00 0.00 ? 34 LEU A CA 32 ATOM 44549 C C . LEU A 1 34 ? 18.246 4.907 1.062 1.00 0.00 ? 34 LEU A C 32 ATOM 44550 O O . LEU A 1 34 ? 19.328 5.347 0.674 1.00 0.00 ? 34 LEU A O 32 ATOM 44551 C CB . LEU A 1 34 ? 18.276 2.471 1.634 1.00 0.00 ? 34 LEU A CB 32 ATOM 44552 C CG . LEU A 1 34 ? 19.578 1.735 1.958 1.00 0.00 ? 34 LEU A CG 32 ATOM 44553 C CD1 . LEU A 1 34 ? 20.781 2.613 1.652 1.00 0.00 ? 34 LEU A CD1 32 ATOM 44554 C CD2 . LEU A 1 34 ? 19.593 1.296 3.414 1.00 0.00 ? 34 LEU A CD2 32 ATOM 44555 H H . LEU A 1 34 ? 16.193 3.433 2.788 1.00 0.00 ? 34 LEU A H 32 ATOM 44556 H HA . LEU A 1 34 ? 19.000 4.062 2.869 1.00 0.00 ? 34 LEU A HA 32 ATOM 44557 H HB2 . LEU A 1 34 ? 17.452 1.893 2.026 1.00 0.00 ? 34 LEU A HB2 32 ATOM 44558 H HB3 . LEU A 1 34 ? 18.177 2.526 0.561 1.00 0.00 ? 34 LEU A HB3 32 ATOM 44559 H HG . LEU A 1 34 ? 19.649 0.852 1.342 1.00 0.00 ? 34 LEU A HG 32 ATOM 44560 H HD11 . LEU A 1 34 ? 20.445 3.597 1.362 1.00 0.00 ? 34 LEU A HD11 32 ATOM 44561 H HD12 . LEU A 1 34 ? 21.404 2.690 2.531 1.00 0.00 ? 34 LEU A HD12 32 ATOM 44562 H HD13 . LEU A 1 34 ? 21.350 2.175 0.844 1.00 0.00 ? 34 LEU A HD13 32 ATOM 44563 H HD21 . LEU A 1 34 ? 18.807 1.804 3.952 1.00 0.00 ? 34 LEU A HD21 32 ATOM 44564 H HD22 . LEU A 1 34 ? 19.432 0.229 3.467 1.00 0.00 ? 34 LEU A HD22 32 ATOM 44565 H HD23 . LEU A 1 34 ? 20.548 1.539 3.854 1.00 0.00 ? 34 LEU A HD23 32 ATOM 44566 N N . LYS A 1 35 ? 17.082 5.281 0.539 1.00 0.00 ? 35 LYS A N 32 ATOM 44567 C CA . LYS A 1 35 ? 17.010 6.251 -0.545 1.00 0.00 ? 35 LYS A CA 32 ATOM 44568 C C . LYS A 1 35 ? 17.222 7.666 -0.016 1.00 0.00 ? 35 LYS A C 32 ATOM 44569 O O . LYS A 1 35 ? 17.728 8.535 -0.727 1.00 0.00 ? 35 LYS A O 32 ATOM 44570 C CB . LYS A 1 35 ? 15.660 6.156 -1.256 1.00 0.00 ? 35 LYS A CB 32 ATOM 44571 C CG . LYS A 1 35 ? 15.497 7.154 -2.390 1.00 0.00 ? 35 LYS A CG 32 ATOM 44572 C CD . LYS A 1 35 ? 14.177 7.902 -2.289 1.00 0.00 ? 35 LYS A CD 32 ATOM 44573 C CE . LYS A 1 35 ? 12.991 6.958 -2.403 1.00 0.00 ? 35 LYS A CE 32 ATOM 44574 N NZ . LYS A 1 35 ? 11.703 7.696 -2.514 1.00 0.00 ? 35 LYS A NZ 32 ATOM 44575 H H . LYS A 1 35 ? 16.252 4.897 0.894 1.00 0.00 ? 35 LYS A H 32 ATOM 44576 H HA . LYS A 1 35 ? 17.797 6.022 -1.248 1.00 0.00 ? 35 LYS A HA 32 ATOM 44577 H HB2 . LYS A 1 35 ? 15.550 5.161 -1.662 1.00 0.00 ? 35 LYS A HB2 32 ATOM 44578 H HB3 . LYS A 1 35 ? 14.872 6.329 -0.537 1.00 0.00 ? 35 LYS A HB3 32 ATOM 44579 H HG2 . LYS A 1 35 ? 16.307 7.866 -2.349 1.00 0.00 ? 35 LYS A HG2 32 ATOM 44580 H HG3 . LYS A 1 35 ? 15.528 6.624 -3.331 1.00 0.00 ? 35 LYS A HG3 32 ATOM 44581 H HD2 . LYS A 1 35 ? 14.133 8.406 -1.334 1.00 0.00 ? 35 LYS A HD2 32 ATOM 44582 H HD3 . LYS A 1 35 ? 14.126 8.630 -3.085 1.00 0.00 ? 35 LYS A HD3 32 ATOM 44583 H HE2 . LYS A 1 35 ? 13.120 6.344 -3.283 1.00 0.00 ? 35 LYS A HE2 32 ATOM 44584 H HE3 . LYS A 1 35 ? 12.963 6.329 -1.526 1.00 0.00 ? 35 LYS A HE3 32 ATOM 44585 H HZ1 . LYS A 1 35 ? 11.680 8.480 -1.831 1.00 0.00 ? 35 LYS A HZ1 32 ATOM 44586 H HZ2 . LYS A 1 35 ? 11.594 8.084 -3.472 1.00 0.00 ? 35 LYS A HZ2 32 ATOM 44587 H HZ3 . LYS A 1 35 ? 10.907 7.057 -2.316 1.00 0.00 ? 35 LYS A HZ3 32 ATOM 44588 N N . GLN A 1 36 ? 16.836 7.890 1.237 1.00 0.00 ? 36 GLN A N 32 ATOM 44589 C CA . GLN A 1 36 ? 16.990 9.199 1.858 1.00 0.00 ? 36 GLN A CA 32 ATOM 44590 C C . GLN A 1 36 ? 18.387 9.351 2.451 1.00 0.00 ? 36 GLN A C 32 ATOM 44591 O O . GLN A 1 36 ? 18.917 10.457 2.543 1.00 0.00 ? 36 GLN A O 32 ATOM 44592 C CB . GLN A 1 36 ? 15.935 9.401 2.946 1.00 0.00 ? 36 GLN A CB 32 ATOM 44593 C CG . GLN A 1 36 ? 14.569 9.791 2.403 1.00 0.00 ? 36 GLN A CG 32 ATOM 44594 C CD . GLN A 1 36 ? 13.543 9.994 3.500 1.00 0.00 ? 36 GLN A CD 32 ATOM 44595 O OE1 . GLN A 1 36 ? 13.867 9.949 4.686 1.00 0.00 ? 36 GLN A OE1 32 ATOM 44596 N NE2 . GLN A 1 36 ? 12.293 10.219 3.107 1.00 0.00 ? 36 GLN A NE2 32 ATOM 44597 H H . GLN A 1 36 ? 16.443 7.156 1.756 1.00 0.00 ? 36 GLN A H 32 ATOM 44598 H HA . GLN A 1 36 ? 16.856 9.948 1.092 1.00 0.00 ? 36 GLN A HA 32 ATOM 44599 H HB2 . GLN A 1 36 ? 15.827 8.483 3.503 1.00 0.00 ? 36 GLN A HB2 32 ATOM 44600 H HB3 . GLN A 1 36 ? 16.267 10.181 3.615 1.00 0.00 ? 36 GLN A HB3 32 ATOM 44601 H HG2 . GLN A 1 36 ? 14.666 10.712 1.848 1.00 0.00 ? 36 GLN A HG2 32 ATOM 44602 H HG3 . GLN A 1 36 ? 14.222 9.009 1.744 1.00 0.00 ? 36 GLN A HG3 32 ATOM 44603 H HE21 . GLN A 1 36 ? 12.108 10.241 2.145 1.00 0.00 ? 36 GLN A HE21 32 ATOM 44604 H HE22 . GLN A 1 36 ? 11.610 10.353 3.795 1.00 0.00 ? 36 GLN A HE22 32 ATOM 44605 N N . SER A 1 37 ? 18.978 8.229 2.847 1.00 0.00 ? 37 SER A N 32 ATOM 44606 C CA . SER A 1 37 ? 20.315 8.232 3.424 1.00 0.00 ? 37 SER A CA 32 ATOM 44607 C C . SER A 1 37 ? 21.374 8.220 2.328 1.00 0.00 ? 37 SER A C 32 ATOM 44608 O O . SER A 1 37 ? 22.502 8.671 2.535 1.00 0.00 ? 37 SER A O 32 ATOM 44609 C CB . SER A 1 37 ? 20.501 7.024 4.345 1.00 0.00 ? 37 SER A CB 32 ATOM 44610 O OG . SER A 1 37 ? 19.488 6.977 5.335 1.00 0.00 ? 37 SER A OG 32 ATOM 44611 H H . SER A 1 37 ? 18.504 7.377 2.742 1.00 0.00 ? 37 SER A H 32 ATOM 44612 H HA . SER A 1 37 ? 20.424 9.136 4.004 1.00 0.00 ? 37 SER A HA 32 ATOM 44613 H HB2 . SER A 1 37 ? 20.455 6.117 3.759 1.00 0.00 ? 37 SER A HB2 32 ATOM 44614 H HB3 . SER A 1 37 ? 21.462 7.090 4.832 1.00 0.00 ? 37 SER A HB3 32 ATOM 44615 H HG . SER A 1 37 ? 19.464 6.102 5.728 1.00 0.00 ? 37 SER A HG 32 ATOM 44616 N N . GLU A 1 38 ? 21.003 7.704 1.159 1.00 0.00 ? 38 GLU A N 32 ATOM 44617 C CA . GLU A 1 38 ? 21.921 7.635 0.028 1.00 0.00 ? 38 GLU A CA 32 ATOM 44618 C C . GLU A 1 38 ? 21.985 8.975 -0.698 1.00 0.00 ? 38 GLU A C 32 ATOM 44619 O O . GLU A 1 38 ? 22.981 9.293 -1.349 1.00 0.00 ? 38 GLU A O 32 ATOM 44620 C CB . GLU A 1 38 ? 21.488 6.535 -0.942 1.00 0.00 ? 38 GLU A CB 32 ATOM 44621 C CG . GLU A 1 38 ? 22.509 6.246 -2.029 1.00 0.00 ? 38 GLU A CG 32 ATOM 44622 C CD . GLU A 1 38 ? 22.259 4.923 -2.726 1.00 0.00 ? 38 GLU A CD 32 ATOM 44623 O OE1 . GLU A 1 38 ? 21.079 4.593 -2.970 1.00 0.00 ? 38 GLU A OE1 32 ATOM 44624 O OE2 . GLU A 1 38 ? 23.244 4.216 -3.029 1.00 0.00 ? 38 GLU A OE2 32 ATOM 44625 H H . GLU A 1 38 ? 20.091 7.362 1.054 1.00 0.00 ? 38 GLU A H 32 ATOM 44626 H HA . GLU A 1 38 ? 22.903 7.399 0.411 1.00 0.00 ? 38 GLU A HA 32 ATOM 44627 H HB2 . GLU A 1 38 ? 21.318 5.625 -0.385 1.00 0.00 ? 38 GLU A HB2 32 ATOM 44628 H HB3 . GLU A 1 38 ? 20.564 6.834 -1.416 1.00 0.00 ? 38 GLU A HB3 32 ATOM 44629 H HG2 . GLU A 1 38 ? 22.467 7.035 -2.765 1.00 0.00 ? 38 GLU A HG2 32 ATOM 44630 H HG3 . GLU A 1 38 ? 23.493 6.222 -1.584 1.00 0.00 ? 38 GLU A HG3 32 ATOM 44631 N N . ASP A 1 39 ? 20.915 9.757 -0.584 1.00 0.00 ? 39 ASP A N 32 ATOM 44632 C CA . ASP A 1 39 ? 20.851 11.063 -1.231 1.00 0.00 ? 39 ASP A CA 32 ATOM 44633 C C . ASP A 1 39 ? 20.171 12.086 -0.329 1.00 0.00 ? 39 ASP A C 32 ATOM 44634 O O . ASP A 1 39 ? 19.434 12.952 -0.801 1.00 0.00 ? 39 ASP A O 32 ATOM 44635 C CB . ASP A 1 39 ? 20.102 10.960 -2.561 1.00 0.00 ? 39 ASP A CB 32 ATOM 44636 C CG . ASP A 1 39 ? 20.562 9.780 -3.394 1.00 0.00 ? 39 ASP A CG 32 ATOM 44637 O OD1 . ASP A 1 39 ? 21.789 9.556 -3.479 1.00 0.00 ? 39 ASP A OD1 32 ATOM 44638 O OD2 . ASP A 1 39 ? 19.698 9.080 -3.962 1.00 0.00 ? 39 ASP A OD2 32 ATOM 44639 H H . ASP A 1 39 ? 20.150 9.450 -0.052 1.00 0.00 ? 39 ASP A H 32 ATOM 44640 H HA . ASP A 1 39 ? 21.863 11.387 -1.423 1.00 0.00 ? 39 ASP A HA 32 ATOM 44641 H HB2 . ASP A 1 39 ? 19.046 10.847 -2.364 1.00 0.00 ? 39 ASP A HB2 32 ATOM 44642 H HB3 . ASP A 1 39 ? 20.265 11.863 -3.130 1.00 0.00 ? 39 ASP A HB3 32 ATOM 44643 N N . ASP A 1 40 ? 20.421 11.982 0.973 1.00 0.00 ? 40 ASP A N 32 ATOM 44644 C CA . ASP A 1 40 ? 19.832 12.899 1.941 1.00 0.00 ? 40 ASP A CA 32 ATOM 44645 C C . ASP A 1 40 ? 20.057 14.349 1.523 1.00 0.00 ? 40 ASP A C 32 ATOM 44646 O O . ASP A 1 40 ? 21.093 14.688 0.952 1.00 0.00 ? 40 ASP A O 32 ATOM 44647 C CB . ASP A 1 40 ? 20.424 12.659 3.329 1.00 0.00 ? 40 ASP A CB 32 ATOM 44648 C CG . ASP A 1 40 ? 19.373 12.688 4.420 1.00 0.00 ? 40 ASP A CG 32 ATOM 44649 O OD1 . ASP A 1 40 ? 18.401 13.462 4.289 1.00 0.00 ? 40 ASP A OD1 32 ATOM 44650 O OD2 . ASP A 1 40 ? 19.520 11.937 5.408 1.00 0.00 ? 40 ASP A OD2 32 ATOM 44651 H H . ASP A 1 40 ? 21.017 11.271 1.289 1.00 0.00 ? 40 ASP A H 32 ATOM 44652 H HA . ASP A 1 40 ? 18.769 12.708 1.974 1.00 0.00 ? 40 ASP A HA 32 ATOM 44653 H HB2 . ASP A 1 40 ? 20.906 11.693 3.346 1.00 0.00 ? 40 ASP A HB2 32 ATOM 44654 H HB3 . ASP A 1 40 ? 21.156 13.425 3.540 1.00 0.00 ? 40 ASP A HB3 32 ATOM 44655 N N . ASP A 1 41 ? 19.079 15.201 1.812 1.00 0.00 ? 41 ASP A N 32 ATOM 44656 C CA . ASP A 1 41 ? 19.170 16.615 1.466 1.00 0.00 ? 41 ASP A CA 32 ATOM 44657 C C . ASP A 1 41 ? 20.107 17.349 2.420 1.00 0.00 ? 41 ASP A C 32 ATOM 44658 O O . ASP A 1 41 ? 20.020 17.100 3.641 1.00 0.00 ? 41 ASP A O 32 ATOM 44659 C CB . ASP A 1 41 ? 17.783 17.260 1.500 1.00 0.00 ? 41 ASP A CB 32 ATOM 44660 C CG . ASP A 1 41 ? 17.329 17.725 0.130 1.00 0.00 ? 41 ASP A CG 32 ATOM 44661 O OD1 . ASP A 1 41 ? 17.569 16.995 -0.855 1.00 0.00 ? 41 ASP A OD1 32 ATOM 44662 O OD2 . ASP A 1 41 ? 16.732 18.819 0.042 1.00 0.00 ? 41 ASP A OD2 32 ATOM 44663 O OXT . ASP A 1 41 ? 20.922 18.163 1.938 1.00 0.00 ? 41 ASP A OXT 32 ATOM 44664 H H . ASP A 1 41 ? 18.277 14.871 2.268 1.00 0.00 ? 41 ASP A H 32 ATOM 44665 H HA . ASP A 1 41 ? 19.566 16.687 0.465 1.00 0.00 ? 41 ASP A HA 32 ATOM 44666 H HB2 . ASP A 1 41 ? 17.068 16.542 1.870 1.00 0.00 ? 41 ASP A HB2 32 ATOM 44667 H HB3 . ASP A 1 41 ? 17.806 18.114 2.161 1.00 0.00 ? 41 ASP A HB3 32 ATOM 44668 N N . ALA B 1 1 ? 24.065 8.204 -4.693 1.00 0.00 ? 1 ALA B N 32 ATOM 44669 C CA . ALA B 1 1 ? 24.288 6.768 -5.003 1.00 0.00 ? 1 ALA B CA 32 ATOM 44670 C C . ALA B 1 1 ? 25.777 6.446 -5.062 1.00 0.00 ? 1 ALA B C 32 ATOM 44671 O O . ALA B 1 1 ? 26.452 6.759 -6.043 1.00 0.00 ? 1 ALA B O 32 ATOM 44672 C CB . ALA B 1 1 ? 23.618 6.404 -6.320 1.00 0.00 ? 1 ALA B CB 32 ATOM 44673 H H1 . ALA B 1 1 ? 24.837 8.746 -5.129 1.00 0.00 ? 1 ALA B H1 32 ATOM 44674 H H2 . ALA B 1 1 ? 23.143 8.475 -5.093 1.00 0.00 ? 1 ALA B H2 32 ATOM 44675 H H3 . ALA B 1 1 ? 24.071 8.311 -3.660 1.00 0.00 ? 1 ALA B H3 32 ATOM 44676 H HA . ALA B 1 1 ? 23.834 6.178 -4.222 1.00 0.00 ? 1 ALA B HA 32 ATOM 44677 H HB1 . ALA B 1 1 ? 23.246 7.300 -6.795 1.00 0.00 ? 1 ALA B HB1 32 ATOM 44678 H HB2 . ALA B 1 1 ? 24.336 5.924 -6.968 1.00 0.00 ? 1 ALA B HB2 32 ATOM 44679 H HB3 . ALA B 1 1 ? 22.796 5.729 -6.130 1.00 0.00 ? 1 ALA B HB3 32 ATOM 44680 N N . LEU B 1 2 ? 26.284 5.820 -4.005 1.00 0.00 ? 2 LEU B N 32 ATOM 44681 C CA . LEU B 1 2 ? 27.694 5.456 -3.936 1.00 0.00 ? 2 LEU B CA 32 ATOM 44682 C C . LEU B 1 2 ? 27.865 4.038 -3.398 1.00 0.00 ? 2 LEU B C 32 ATOM 44683 O O . LEU B 1 2 ? 28.902 3.701 -2.828 1.00 0.00 ? 2 LEU B O 32 ATOM 44684 C CB . LEU B 1 2 ? 28.456 6.444 -3.052 1.00 0.00 ? 2 LEU B CB 32 ATOM 44685 C CG . LEU B 1 2 ? 28.140 7.919 -3.309 1.00 0.00 ? 2 LEU B CG 32 ATOM 44686 C CD1 . LEU B 1 2 ? 27.588 8.574 -2.052 1.00 0.00 ? 2 LEU B CD1 32 ATOM 44687 C CD2 . LEU B 1 2 ? 29.382 8.655 -3.792 1.00 0.00 ? 2 LEU B CD2 32 ATOM 44688 H H . LEU B 1 2 ? 25.696 5.598 -3.254 1.00 0.00 ? 2 LEU B H 32 ATOM 44689 H HA . LEU B 1 2 ? 28.097 5.498 -4.937 1.00 0.00 ? 2 LEU B HA 32 ATOM 44690 H HB2 . LEU B 1 2 ? 28.226 6.223 -2.020 1.00 0.00 ? 2 LEU B HB2 32 ATOM 44691 H HB3 . LEU B 1 2 ? 29.514 6.294 -3.209 1.00 0.00 ? 2 LEU B HB3 32 ATOM 44692 H HG . LEU B 1 2 ? 27.387 7.991 -4.080 1.00 0.00 ? 2 LEU B HG 32 ATOM 44693 H HD11 . LEU B 1 2 ? 26.895 7.900 -1.571 1.00 0.00 ? 2 LEU B HD11 32 ATOM 44694 H HD12 . LEU B 1 2 ? 28.401 8.799 -1.377 1.00 0.00 ? 2 LEU B HD12 32 ATOM 44695 H HD13 . LEU B 1 2 ? 27.077 9.488 -2.317 1.00 0.00 ? 2 LEU B HD13 32 ATOM 44696 H HD21 . LEU B 1 2 ? 29.949 8.010 -4.448 1.00 0.00 ? 2 LEU B HD21 32 ATOM 44697 H HD22 . LEU B 1 2 ? 29.088 9.545 -4.328 1.00 0.00 ? 2 LEU B HD22 32 ATOM 44698 H HD23 . LEU B 1 2 ? 29.991 8.929 -2.944 1.00 0.00 ? 2 LEU B HD23 32 ATOM 44699 N N . LYS B 1 3 ? 26.840 3.214 -3.582 1.00 0.00 ? 3 LYS B N 32 ATOM 44700 C CA . LYS B 1 3 ? 26.876 1.832 -3.115 1.00 0.00 ? 3 LYS B CA 32 ATOM 44701 C C . LYS B 1 3 ? 26.203 0.901 -4.119 1.00 0.00 ? 3 LYS B C 32 ATOM 44702 O O . LYS B 1 3 ? 25.199 1.257 -4.735 1.00 0.00 ? 3 LYS B O 32 ATOM 44703 C CB . LYS B 1 3 ? 26.189 1.715 -1.753 1.00 0.00 ? 3 LYS B CB 32 ATOM 44704 C CG . LYS B 1 3 ? 26.765 2.646 -0.699 1.00 0.00 ? 3 LYS B CG 32 ATOM 44705 C CD . LYS B 1 3 ? 25.722 3.634 -0.200 1.00 0.00 ? 3 LYS B CD 32 ATOM 44706 C CE . LYS B 1 3 ? 26.253 5.059 -0.214 1.00 0.00 ? 3 LYS B CE 32 ATOM 44707 N NZ . LYS B 1 3 ? 25.481 5.949 0.696 1.00 0.00 ? 3 LYS B NZ 32 ATOM 44708 H H . LYS B 1 3 ? 26.039 3.541 -4.044 1.00 0.00 ? 3 LYS B H 32 ATOM 44709 H HA . LYS B 1 3 ? 27.911 1.544 -3.013 1.00 0.00 ? 3 LYS B HA 32 ATOM 44710 H HB2 . LYS B 1 3 ? 25.140 1.943 -1.871 1.00 0.00 ? 3 LYS B HB2 32 ATOM 44711 H HB3 . LYS B 1 3 ? 26.290 0.700 -1.398 1.00 0.00 ? 3 LYS B HB3 32 ATOM 44712 H HG2 . LYS B 1 3 ? 27.116 2.058 0.135 1.00 0.00 ? 3 LYS B HG2 32 ATOM 44713 H HG3 . LYS B 1 3 ? 27.591 3.195 -1.129 1.00 0.00 ? 3 LYS B HG3 32 ATOM 44714 H HD2 . LYS B 1 3 ? 24.854 3.579 -0.839 1.00 0.00 ? 3 LYS B HD2 32 ATOM 44715 H HD3 . LYS B 1 3 ? 25.447 3.372 0.810 1.00 0.00 ? 3 LYS B HD3 32 ATOM 44716 H HE2 . LYS B 1 3 ? 27.287 5.048 0.099 1.00 0.00 ? 3 LYS B HE2 32 ATOM 44717 H HE3 . LYS B 1 3 ? 26.188 5.445 -1.221 1.00 0.00 ? 3 LYS B HE3 32 ATOM 44718 H HZ1 . LYS B 1 3 ? 25.525 5.587 1.671 1.00 0.00 ? 3 LYS B HZ1 32 ATOM 44719 H HZ2 . LYS B 1 3 ? 25.876 6.910 0.677 1.00 0.00 ? 3 LYS B HZ2 32 ATOM 44720 H HZ3 . LYS B 1 3 ? 24.486 5.988 0.397 1.00 0.00 ? 3 LYS B HZ3 32 ATOM 44721 N N . LYS B 1 4 ? 26.763 -0.294 -4.278 1.00 0.00 ? 4 LYS B N 32 ATOM 44722 C CA . LYS B 1 4 ? 26.217 -1.277 -5.206 1.00 0.00 ? 4 LYS B CA 32 ATOM 44723 C C . LYS B 1 4 ? 25.346 -2.292 -4.474 1.00 0.00 ? 4 LYS B C 32 ATOM 44724 O O . LYS B 1 4 ? 24.127 -2.318 -4.647 1.00 0.00 ? 4 LYS B O 32 ATOM 44725 C CB . LYS B 1 4 ? 27.346 -1.994 -5.947 1.00 0.00 ? 4 LYS B CB 32 ATOM 44726 C CG . LYS B 1 4 ? 27.857 -1.235 -7.160 1.00 0.00 ? 4 LYS B CG 32 ATOM 44727 C CD . LYS B 1 4 ? 28.386 0.138 -6.777 1.00 0.00 ? 4 LYS B CD 32 ATOM 44728 C CE . LYS B 1 4 ? 27.406 1.237 -7.152 1.00 0.00 ? 4 LYS B CE 32 ATOM 44729 N NZ . LYS B 1 4 ? 27.973 2.593 -6.911 1.00 0.00 ? 4 LYS B NZ 32 ATOM 44730 H H . LYS B 1 4 ? 27.563 -0.520 -3.758 1.00 0.00 ? 4 LYS B H 32 ATOM 44731 H HA . LYS B 1 4 ? 25.605 -0.749 -5.923 1.00 0.00 ? 4 LYS B HA 32 ATOM 44732 H HB2 . LYS B 1 4 ? 28.172 -2.139 -5.267 1.00 0.00 ? 4 LYS B HB2 32 ATOM 44733 H HB3 . LYS B 1 4 ? 26.990 -2.958 -6.277 1.00 0.00 ? 4 LYS B HB3 32 ATOM 44734 H HG2 . LYS B 1 4 ? 28.654 -1.802 -7.619 1.00 0.00 ? 4 LYS B HG2 32 ATOM 44735 H HG3 . LYS B 1 4 ? 27.047 -1.115 -7.865 1.00 0.00 ? 4 LYS B HG3 32 ATOM 44736 H HD2 . LYS B 1 4 ? 28.551 0.164 -5.711 1.00 0.00 ? 4 LYS B HD2 32 ATOM 44737 H HD3 . LYS B 1 4 ? 29.320 0.309 -7.292 1.00 0.00 ? 4 LYS B HD3 32 ATOM 44738 H HE2 . LYS B 1 4 ? 27.160 1.142 -8.199 1.00 0.00 ? 4 LYS B HE2 32 ATOM 44739 H HE3 . LYS B 1 4 ? 26.510 1.120 -6.561 1.00 0.00 ? 4 LYS B HE3 32 ATOM 44740 H HZ1 . LYS B 1 4 ? 28.999 2.528 -6.751 1.00 0.00 ? 4 LYS B HZ1 32 ATOM 44741 H HZ2 . LYS B 1 4 ? 27.798 3.205 -7.733 1.00 0.00 ? 4 LYS B HZ2 32 ATOM 44742 H HZ3 . LYS B 1 4 ? 27.530 3.022 -6.074 1.00 0.00 ? 4 LYS B HZ3 32 ATOM 44743 N N . HIS B 1 5 ? 25.977 -3.126 -3.653 1.00 0.00 ? 5 HIS B N 32 ATOM 44744 C CA . HIS B 1 5 ? 25.256 -4.141 -2.894 1.00 0.00 ? 5 HIS B CA 32 ATOM 44745 C C . HIS B 1 5 ? 24.088 -3.517 -2.139 1.00 0.00 ? 5 HIS B C 32 ATOM 44746 O O . HIS B 1 5 ? 22.999 -4.089 -2.074 1.00 0.00 ? 5 HIS B O 32 ATOM 44747 C CB . HIS B 1 5 ? 26.199 -4.839 -1.913 1.00 0.00 ? 5 HIS B CB 32 ATOM 44748 C CG . HIS B 1 5 ? 27.189 -3.915 -1.274 1.00 0.00 ? 5 HIS B CG 32 ATOM 44749 N ND1 . HIS B 1 5 ? 28.539 -3.949 -1.554 1.00 0.00 ? 5 HIS B ND1 32 ATOM 44750 C CD2 . HIS B 1 5 ? 27.021 -2.926 -0.365 1.00 0.00 ? 5 HIS B CD2 32 ATOM 44751 C CE1 . HIS B 1 5 ? 29.158 -3.022 -0.845 1.00 0.00 ? 5 HIS B CE1 32 ATOM 44752 N NE2 . HIS B 1 5 ? 28.259 -2.388 -0.116 1.00 0.00 ? 5 HIS B NE2 32 ATOM 44753 H H . HIS B 1 5 ? 26.950 -3.056 -3.555 1.00 0.00 ? 5 HIS B H 32 ATOM 44754 H HA . HIS B 1 5 ? 24.873 -4.868 -3.593 1.00 0.00 ? 5 HIS B HA 32 ATOM 44755 H HB2 . HIS B 1 5 ? 25.616 -5.294 -1.126 1.00 0.00 ? 5 HIS B HB2 32 ATOM 44756 H HB3 . HIS B 1 5 ? 26.749 -5.607 -2.437 1.00 0.00 ? 5 HIS B HB3 32 ATOM 44757 H HD1 . HIS B 1 5 ? 28.980 -4.562 -2.179 1.00 0.00 ? 5 HIS B HD1 32 ATOM 44758 H HD2 . HIS B 1 5 ? 26.086 -2.619 0.082 1.00 0.00 ? 5 HIS B HD2 32 ATOM 44759 H HE1 . HIS B 1 5 ? 30.218 -2.817 -0.859 1.00 0.00 ? 5 HIS B HE1 32 ATOM 44760 H HE2 . HIS B 1 5 ? 28.448 -1.652 0.503 1.00 0.00 ? 5 HIS B HE2 32 ATOM 44761 N N . HIS B 1 6 ? 24.323 -2.338 -1.573 1.00 0.00 ? 6 HIS B N 32 ATOM 44762 C CA . HIS B 1 6 ? 23.292 -1.632 -0.824 1.00 0.00 ? 6 HIS B CA 32 ATOM 44763 C C . HIS B 1 6 ? 22.111 -1.288 -1.724 1.00 0.00 ? 6 HIS B C 32 ATOM 44764 O O . HIS B 1 6 ? 20.955 -1.382 -1.311 1.00 0.00 ? 6 HIS B O 32 ATOM 44765 C CB . HIS B 1 6 ? 23.866 -0.355 -0.207 1.00 0.00 ? 6 HIS B CB 32 ATOM 44766 C CG . HIS B 1 6 ? 23.452 -0.136 1.214 1.00 0.00 ? 6 HIS B CG 32 ATOM 44767 N ND1 . HIS B 1 6 ? 23.241 -1.169 2.104 1.00 0.00 ? 6 HIS B ND1 32 ATOM 44768 C CD2 . HIS B 1 6 ? 23.210 1.005 1.902 1.00 0.00 ? 6 HIS B CD2 32 ATOM 44769 C CE1 . HIS B 1 6 ? 22.887 -0.672 3.277 1.00 0.00 ? 6 HIS B CE1 32 ATOM 44770 N NE2 . HIS B 1 6 ? 22.862 0.644 3.180 1.00 0.00 ? 6 HIS B NE2 32 ATOM 44771 H H . HIS B 1 6 ? 25.210 -1.934 -1.663 1.00 0.00 ? 6 HIS B H 32 ATOM 44772 H HA . HIS B 1 6 ? 22.949 -2.282 -0.034 1.00 0.00 ? 6 HIS B HA 32 ATOM 44773 H HB2 . HIS B 1 6 ? 24.944 -0.404 -0.234 1.00 0.00 ? 6 HIS B HB2 32 ATOM 44774 H HB3 . HIS B 1 6 ? 23.535 0.496 -0.785 1.00 0.00 ? 6 HIS B HB3 32 ATOM 44775 H HD1 . HIS B 1 6 ? 23.335 -2.124 1.906 1.00 0.00 ? 6 HIS B HD1 32 ATOM 44776 H HD2 . HIS B 1 6 ? 23.279 2.013 1.517 1.00 0.00 ? 6 HIS B HD2 32 ATOM 44777 H HE1 . HIS B 1 6 ? 22.658 -1.246 4.164 1.00 0.00 ? 6 HIS B HE1 32 ATOM 44778 H HE2 . HIS B 1 6 ? 22.631 1.260 3.906 1.00 0.00 ? 6 HIS B HE2 32 ATOM 44779 N N . GLU B 1 7 ? 22.408 -0.893 -2.958 1.00 0.00 ? 7 GLU B N 32 ATOM 44780 C CA . GLU B 1 7 ? 21.365 -0.541 -3.913 1.00 0.00 ? 7 GLU B CA 32 ATOM 44781 C C . GLU B 1 7 ? 20.552 -1.770 -4.296 1.00 0.00 ? 7 GLU B C 32 ATOM 44782 O O . GLU B 1 7 ? 19.367 -1.669 -4.612 1.00 0.00 ? 7 GLU B O 32 ATOM 44783 C CB . GLU B 1 7 ? 21.978 0.095 -5.163 1.00 0.00 ? 7 GLU B CB 32 ATOM 44784 C CG . GLU B 1 7 ? 21.023 1.015 -5.907 1.00 0.00 ? 7 GLU B CG 32 ATOM 44785 C CD . GLU B 1 7 ? 21.645 2.356 -6.240 1.00 0.00 ? 7 GLU B CD 32 ATOM 44786 O OE1 . GLU B 1 7 ? 22.891 2.436 -6.290 1.00 0.00 ? 7 GLU B OE1 32 ATOM 44787 O OE2 . GLU B 1 7 ? 20.888 3.326 -6.452 1.00 0.00 ? 7 GLU B OE2 32 ATOM 44788 H H . GLU B 1 7 ? 23.347 -0.840 -3.232 1.00 0.00 ? 7 GLU B H 32 ATOM 44789 H HA . GLU B 1 7 ? 20.709 0.173 -3.438 1.00 0.00 ? 7 GLU B HA 32 ATOM 44790 H HB2 . GLU B 1 7 ? 22.844 0.671 -4.872 1.00 0.00 ? 7 GLU B HB2 32 ATOM 44791 H HB3 . GLU B 1 7 ? 22.286 -0.689 -5.837 1.00 0.00 ? 7 GLU B HB3 32 ATOM 44792 H HG2 . GLU B 1 7 ? 20.725 0.534 -6.827 1.00 0.00 ? 7 GLU B HG2 32 ATOM 44793 H HG3 . GLU B 1 7 ? 20.151 1.181 -5.291 1.00 0.00 ? 7 GLU B HG3 32 ATOM 44794 N N . ASN B 1 8 ? 21.194 -2.932 -4.256 1.00 0.00 ? 8 ASN B N 32 ATOM 44795 C CA . ASN B 1 8 ? 20.523 -4.182 -4.588 1.00 0.00 ? 8 ASN B CA 32 ATOM 44796 C C . ASN B 1 8 ? 19.426 -4.472 -3.571 1.00 0.00 ? 8 ASN B C 32 ATOM 44797 O O . ASN B 1 8 ? 18.294 -4.800 -3.934 1.00 0.00 ? 8 ASN B O 32 ATOM 44798 C CB . ASN B 1 8 ? 21.527 -5.335 -4.622 1.00 0.00 ? 8 ASN B CB 32 ATOM 44799 C CG . ASN B 1 8 ? 21.723 -5.889 -6.019 1.00 0.00 ? 8 ASN B CG 32 ATOM 44800 O OD1 . ASN B 1 8 ? 20.939 -5.610 -6.926 1.00 0.00 ? 8 ASN B OD1 32 ATOM 44801 N ND2 . ASN B 1 8 ? 22.774 -6.682 -6.199 1.00 0.00 ? 8 ASN B ND2 32 ATOM 44802 H H . ASN B 1 8 ? 22.136 -2.950 -3.989 1.00 0.00 ? 8 ASN B H 32 ATOM 44803 H HA . ASN B 1 8 ? 20.075 -4.072 -5.564 1.00 0.00 ? 8 ASN B HA 32 ATOM 44804 H HB2 . ASN B 1 8 ? 22.481 -4.983 -4.257 1.00 0.00 ? 8 ASN B HB2 32 ATOM 44805 H HB3 . ASN B 1 8 ? 21.174 -6.131 -3.983 1.00 0.00 ? 8 ASN B HB3 32 ATOM 44806 H HD21 . ASN B 1 8 ? 23.355 -6.862 -5.431 1.00 0.00 ? 8 ASN B HD21 32 ATOM 44807 H HD22 . ASN B 1 8 ? 22.925 -7.055 -7.093 1.00 0.00 ? 8 ASN B HD22 32 ATOM 44808 N N . GLU B 1 9 ? 19.767 -4.339 -2.294 1.00 0.00 ? 9 GLU B N 32 ATOM 44809 C CA . GLU B 1 9 ? 18.809 -4.577 -1.224 1.00 0.00 ? 9 GLU B CA 32 ATOM 44810 C C . GLU B 1 9 ? 17.596 -3.673 -1.389 1.00 0.00 ? 9 GLU B C 32 ATOM 44811 O O . GLU B 1 9 ? 16.460 -4.147 -1.445 1.00 0.00 ? 9 GLU B O 32 ATOM 44812 C CB . GLU B 1 9 ? 19.460 -4.344 0.141 1.00 0.00 ? 9 GLU B CB 32 ATOM 44813 C CG . GLU B 1 9 ? 19.214 -5.470 1.132 1.00 0.00 ? 9 GLU B CG 32 ATOM 44814 C CD . GLU B 1 9 ? 20.243 -6.578 1.020 1.00 0.00 ? 9 GLU B CD 32 ATOM 44815 O OE1 . GLU B 1 9 ? 20.068 -7.467 0.160 1.00 0.00 ? 9 GLU B OE1 32 ATOM 44816 O OE2 . GLU B 1 9 ? 21.225 -6.558 1.793 1.00 0.00 ? 9 GLU B OE2 32 ATOM 44817 H H . GLU B 1 9 ? 20.683 -4.067 -2.065 1.00 0.00 ? 9 GLU B H 32 ATOM 44818 H HA . GLU B 1 9 ? 18.484 -5.605 -1.292 1.00 0.00 ? 9 GLU B HA 32 ATOM 44819 H HB2 . GLU B 1 9 ? 20.525 -4.239 0.005 1.00 0.00 ? 9 GLU B HB2 32 ATOM 44820 H HB3 . GLU B 1 9 ? 19.067 -3.431 0.563 1.00 0.00 ? 9 GLU B HB3 32 ATOM 44821 H HG2 . GLU B 1 9 ? 19.251 -5.066 2.132 1.00 0.00 ? 9 GLU B HG2 32 ATOM 44822 H HG3 . GLU B 1 9 ? 18.235 -5.887 0.948 1.00 0.00 ? 9 GLU B HG3 32 ATOM 44823 N N . ILE B 1 10 ? 17.837 -2.368 -1.479 1.00 0.00 ? 10 ILE B N 32 ATOM 44824 C CA . ILE B 1 10 ? 16.747 -1.424 -1.652 1.00 0.00 ? 10 ILE B CA 32 ATOM 44825 C C . ILE B 1 10 ? 15.997 -1.711 -2.944 1.00 0.00 ? 10 ILE B C 32 ATOM 44826 O O . ILE B 1 10 ? 14.824 -1.379 -3.077 1.00 0.00 ? 10 ILE B O 32 ATOM 44827 C CB . ILE B 1 10 ? 17.241 0.033 -1.642 1.00 0.00 ? 10 ILE B CB 32 ATOM 44828 C CG1 . ILE B 1 10 ? 18.061 0.345 -2.893 1.00 0.00 ? 10 ILE B CG1 32 ATOM 44829 C CG2 . ILE B 1 10 ? 18.062 0.289 -0.393 1.00 0.00 ? 10 ILE B CG2 32 ATOM 44830 C CD1 . ILE B 1 10 ? 18.597 1.761 -2.914 1.00 0.00 ? 10 ILE B CD1 32 ATOM 44831 H H . ILE B 1 10 ? 18.762 -2.038 -1.439 1.00 0.00 ? 10 ILE B H 32 ATOM 44832 H HA . ILE B 1 10 ? 16.065 -1.555 -0.823 1.00 0.00 ? 10 ILE B HA 32 ATOM 44833 H HB . ILE B 1 10 ? 16.377 0.681 -1.614 1.00 0.00 ? 10 ILE B HB 32 ATOM 44834 H HG12 . ILE B 1 10 ? 18.901 -0.330 -2.945 1.00 0.00 ? 10 ILE B HG12 32 ATOM 44835 H HG13 . ILE B 1 10 ? 17.441 0.211 -3.767 1.00 0.00 ? 10 ILE B HG13 32 ATOM 44836 H HG21 . ILE B 1 10 ? 18.598 -0.609 -0.125 1.00 0.00 ? 10 ILE B HG21 32 ATOM 44837 H HG22 . ILE B 1 10 ? 18.766 1.085 -0.582 1.00 0.00 ? 10 ILE B HG22 32 ATOM 44838 H HG23 . ILE B 1 10 ? 17.404 0.570 0.416 1.00 0.00 ? 10 ILE B HG23 32 ATOM 44839 H HD11 . ILE B 1 10 ? 18.256 2.287 -2.033 1.00 0.00 ? 10 ILE B HD11 32 ATOM 44840 H HD12 . ILE B 1 10 ? 19.676 1.737 -2.924 1.00 0.00 ? 10 ILE B HD12 32 ATOM 44841 H HD13 . ILE B 1 10 ? 18.239 2.269 -3.798 1.00 0.00 ? 10 ILE B HD13 32 ATOM 44842 N N . SER B 1 11 ? 16.675 -2.353 -3.891 1.00 0.00 ? 11 SER B N 32 ATOM 44843 C CA . SER B 1 11 ? 16.050 -2.704 -5.157 1.00 0.00 ? 11 SER B CA 32 ATOM 44844 C C . SER B 1 11 ? 14.860 -3.618 -4.901 1.00 0.00 ? 11 SER B C 32 ATOM 44845 O O . SER B 1 11 ? 13.771 -3.414 -5.443 1.00 0.00 ? 11 SER B O 32 ATOM 44846 C CB . SER B 1 11 ? 17.058 -3.392 -6.080 1.00 0.00 ? 11 SER B CB 32 ATOM 44847 O OG . SER B 1 11 ? 16.806 -3.075 -7.438 1.00 0.00 ? 11 SER B OG 32 ATOM 44848 H H . SER B 1 11 ? 17.605 -2.611 -3.727 1.00 0.00 ? 11 SER B H 32 ATOM 44849 H HA . SER B 1 11 ? 15.702 -1.794 -5.623 1.00 0.00 ? 11 SER B HA 32 ATOM 44850 H HB2 . SER B 1 11 ? 18.056 -3.068 -5.827 1.00 0.00 ? 11 SER B HB2 32 ATOM 44851 H HB3 . SER B 1 11 ? 16.984 -4.463 -5.954 1.00 0.00 ? 11 SER B HB3 32 ATOM 44852 H HG . SER B 1 11 ? 17.054 -2.163 -7.605 1.00 0.00 ? 11 SER B HG 32 ATOM 44853 N N . HIS B 1 12 ? 15.072 -4.619 -4.050 1.00 0.00 ? 12 HIS B N 32 ATOM 44854 C CA . HIS B 1 12 ? 14.012 -5.553 -3.704 1.00 0.00 ? 12 HIS B CA 32 ATOM 44855 C C . HIS B 1 12 ? 12.912 -4.821 -2.928 1.00 0.00 ? 12 HIS B C 32 ATOM 44856 O O . HIS B 1 12 ? 11.729 -5.133 -3.063 1.00 0.00 ? 12 HIS B O 32 ATOM 44857 C CB . HIS B 1 12 ? 14.604 -6.752 -2.922 1.00 0.00 ? 12 HIS B CB 32 ATOM 44858 C CG . HIS B 1 12 ? 13.956 -7.063 -1.602 1.00 0.00 ? 12 HIS B CG 32 ATOM 44859 N ND1 . HIS B 1 12 ? 12.703 -7.627 -1.489 1.00 0.00 ? 12 HIS B ND1 32 ATOM 44860 C CD2 . HIS B 1 12 ? 14.403 -6.886 -0.338 1.00 0.00 ? 12 HIS B CD2 32 ATOM 44861 C CE1 . HIS B 1 12 ? 12.407 -7.783 -0.211 1.00 0.00 ? 12 HIS B CE1 32 ATOM 44862 N NE2 . HIS B 1 12 ? 13.421 -7.342 0.508 1.00 0.00 ? 12 HIS B NE2 32 ATOM 44863 H H . HIS B 1 12 ? 15.960 -4.723 -3.636 1.00 0.00 ? 12 HIS B H 32 ATOM 44864 H HA . HIS B 1 12 ? 13.589 -5.918 -4.629 1.00 0.00 ? 12 HIS B HA 32 ATOM 44865 H HB2 . HIS B 1 12 ? 14.524 -7.635 -3.535 1.00 0.00 ? 12 HIS B HB2 32 ATOM 44866 H HB3 . HIS B 1 12 ? 15.651 -6.556 -2.736 1.00 0.00 ? 12 HIS B HB3 32 ATOM 44867 H HD1 . HIS B 1 12 ? 12.118 -7.876 -2.235 1.00 0.00 ? 12 HIS B HD1 32 ATOM 44868 H HD2 . HIS B 1 12 ? 15.355 -6.462 -0.049 1.00 0.00 ? 12 HIS B HD2 32 ATOM 44869 H HE1 . HIS B 1 12 ? 11.490 -8.202 0.179 1.00 0.00 ? 12 HIS B HE1 32 ATOM 44870 H HE2 . HIS B 1 12 ? 13.465 -7.341 1.487 1.00 0.00 ? 12 HIS B HE2 32 ATOM 44871 N N . HIS B 1 13 ? 13.314 -3.833 -2.128 1.00 0.00 ? 13 HIS B N 32 ATOM 44872 C CA . HIS B 1 13 ? 12.360 -3.046 -1.350 1.00 0.00 ? 13 HIS B CA 32 ATOM 44873 C C . HIS B 1 13 ? 11.586 -2.085 -2.248 1.00 0.00 ? 13 HIS B C 32 ATOM 44874 O O . HIS B 1 13 ? 10.536 -1.576 -1.862 1.00 0.00 ? 13 HIS B O 32 ATOM 44875 C CB . HIS B 1 13 ? 13.072 -2.243 -0.261 1.00 0.00 ? 13 HIS B CB 32 ATOM 44876 C CG . HIS B 1 13 ? 14.029 -3.038 0.566 1.00 0.00 ? 13 HIS B CG 32 ATOM 44877 N ND1 . HIS B 1 13 ? 13.835 -4.364 0.889 1.00 0.00 ? 13 HIS B ND1 32 ATOM 44878 C CD2 . HIS B 1 13 ? 15.192 -2.675 1.148 1.00 0.00 ? 13 HIS B CD2 32 ATOM 44879 C CE1 . HIS B 1 13 ? 14.843 -4.783 1.637 1.00 0.00 ? 13 HIS B CE1 32 ATOM 44880 N NE2 . HIS B 1 13 ? 15.679 -3.776 1.808 1.00 0.00 ? 13 HIS B NE2 32 ATOM 44881 H H . HIS B 1 13 ? 14.271 -3.622 -2.070 1.00 0.00 ? 13 HIS B H 32 ATOM 44882 H HA . HIS B 1 13 ? 11.665 -3.730 -0.887 1.00 0.00 ? 13 HIS B HA 32 ATOM 44883 H HB2 . HIS B 1 13 ? 13.626 -1.441 -0.723 1.00 0.00 ? 13 HIS B HB2 32 ATOM 44884 H HB3 . HIS B 1 13 ? 12.331 -1.821 0.402 1.00 0.00 ? 13 HIS B HB3 32 ATOM 44885 H HD1 . HIS B 1 13 ? 13.075 -4.917 0.613 1.00 0.00 ? 13 HIS B HD1 32 ATOM 44886 H HD2 . HIS B 1 13 ? 15.650 -1.697 1.099 1.00 0.00 ? 13 HIS B HD2 32 ATOM 44887 H HE1 . HIS B 1 13 ? 14.961 -5.778 2.040 1.00 0.00 ? 13 HIS B HE1 32 ATOM 44888 H HE2 . HIS B 1 13 ? 16.513 -3.812 2.322 1.00 0.00 ? 13 HIS B HE2 32 ATOM 44889 N N . ALA B 1 14 ? 12.114 -1.830 -3.444 1.00 0.00 ? 14 ALA B N 32 ATOM 44890 C CA . ALA B 1 14 ? 11.467 -0.925 -4.383 1.00 0.00 ? 14 ALA B CA 32 ATOM 44891 C C . ALA B 1 14 ? 10.326 -1.626 -5.102 1.00 0.00 ? 14 ALA B C 32 ATOM 44892 O O . ALA B 1 14 ? 9.264 -1.044 -5.321 1.00 0.00 ? 14 ALA B O 32 ATOM 44893 C CB . ALA B 1 14 ? 12.478 -0.387 -5.385 1.00 0.00 ? 14 ALA B CB 32 ATOM 44894 H H . ALA B 1 14 ? 12.955 -2.258 -3.698 1.00 0.00 ? 14 ALA B H 32 ATOM 44895 H HA . ALA B 1 14 ? 11.068 -0.092 -3.823 1.00 0.00 ? 14 ALA B HA 32 ATOM 44896 H HB1 . ALA B 1 14 ? 13.449 -0.814 -5.181 1.00 0.00 ? 14 ALA B HB1 32 ATOM 44897 H HB2 . ALA B 1 14 ? 12.170 -0.652 -6.385 1.00 0.00 ? 14 ALA B HB2 32 ATOM 44898 H HB3 . ALA B 1 14 ? 12.533 0.688 -5.298 1.00 0.00 ? 14 ALA B HB3 32 ATOM 44899 N N . LYS B 1 15 ? 10.547 -2.885 -5.460 1.00 0.00 ? 15 LYS B N 32 ATOM 44900 C CA . LYS B 1 15 ? 9.526 -3.666 -6.141 1.00 0.00 ? 15 LYS B CA 32 ATOM 44901 C C . LYS B 1 15 ? 8.476 -4.151 -5.146 1.00 0.00 ? 15 LYS B C 32 ATOM 44902 O O . LYS B 1 15 ? 7.330 -4.409 -5.513 1.00 0.00 ? 15 LYS B O 32 ATOM 44903 C CB . LYS B 1 15 ? 10.157 -4.858 -6.863 1.00 0.00 ? 15 LYS B CB 32 ATOM 44904 C CG . LYS B 1 15 ? 9.587 -5.097 -8.252 1.00 0.00 ? 15 LYS B CG 32 ATOM 44905 C CD . LYS B 1 15 ? 10.589 -5.806 -9.149 1.00 0.00 ? 15 LYS B CD 32 ATOM 44906 C CE . LYS B 1 15 ? 10.025 -7.109 -9.692 1.00 0.00 ? 15 LYS B CE 32 ATOM 44907 N NZ . LYS B 1 15 ? 10.741 -7.556 -10.920 1.00 0.00 ? 15 LYS B NZ 32 ATOM 44908 H H . LYS B 1 15 ? 11.414 -3.299 -5.253 1.00 0.00 ? 15 LYS B H 32 ATOM 44909 H HA . LYS B 1 15 ? 9.046 -3.025 -6.866 1.00 0.00 ? 15 LYS B HA 32 ATOM 44910 H HB2 . LYS B 1 15 ? 11.219 -4.686 -6.958 1.00 0.00 ? 15 LYS B HB2 32 ATOM 44911 H HB3 . LYS B 1 15 ? 9.996 -5.748 -6.273 1.00 0.00 ? 15 LYS B HB3 32 ATOM 44912 H HG2 . LYS B 1 15 ? 8.701 -5.708 -8.166 1.00 0.00 ? 15 LYS B HG2 32 ATOM 44913 H HG3 . LYS B 1 15 ? 9.330 -4.146 -8.694 1.00 0.00 ? 15 LYS B HG3 32 ATOM 44914 H HD2 . LYS B 1 15 ? 10.835 -5.160 -9.978 1.00 0.00 ? 15 LYS B HD2 32 ATOM 44915 H HD3 . LYS B 1 15 ? 11.481 -6.019 -8.579 1.00 0.00 ? 15 LYS B HD3 32 ATOM 44916 H HE2 . LYS B 1 15 ? 10.121 -7.871 -8.933 1.00 0.00 ? 15 LYS B HE2 32 ATOM 44917 H HE3 . LYS B 1 15 ? 8.981 -6.965 -9.927 1.00 0.00 ? 15 LYS B HE3 32 ATOM 44918 H HZ1 . LYS B 1 15 ? 10.741 -6.796 -11.629 1.00 0.00 ? 15 LYS B HZ1 32 ATOM 44919 H HZ2 . LYS B 1 15 ? 11.725 -7.801 -10.690 1.00 0.00 ? 15 LYS B HZ2 32 ATOM 44920 H HZ3 . LYS B 1 15 ? 10.272 -8.391 -11.323 1.00 0.00 ? 15 LYS B HZ3 32 ATOM 44921 N N . GLU B 1 16 ? 8.876 -4.266 -3.882 1.00 0.00 ? 16 GLU B N 32 ATOM 44922 C CA . GLU B 1 16 ? 7.971 -4.713 -2.830 1.00 0.00 ? 16 GLU B CA 32 ATOM 44923 C C . GLU B 1 16 ? 7.080 -3.568 -2.359 1.00 0.00 ? 16 GLU B C 32 ATOM 44924 O O . GLU B 1 16 ? 5.900 -3.768 -2.070 1.00 0.00 ? 16 GLU B O 32 ATOM 44925 C CB . GLU B 1 16 ? 8.764 -5.277 -1.650 1.00 0.00 ? 16 GLU B CB 32 ATOM 44926 C CG . GLU B 1 16 ? 8.821 -6.796 -1.627 1.00 0.00 ? 16 GLU B CG 32 ATOM 44927 C CD . GLU B 1 16 ? 9.623 -7.368 -2.779 1.00 0.00 ? 16 GLU B CD 32 ATOM 44928 O OE1 . GLU B 1 16 ? 9.894 -6.620 -3.742 1.00 0.00 ? 16 GLU B OE1 32 ATOM 44929 O OE2 . GLU B 1 16 ? 9.981 -8.563 -2.719 1.00 0.00 ? 16 GLU B OE2 32 ATOM 44930 H H . GLU B 1 16 ? 9.801 -4.042 -3.650 1.00 0.00 ? 16 GLU B H 32 ATOM 44931 H HA . GLU B 1 16 ? 7.347 -5.492 -3.241 1.00 0.00 ? 16 GLU B HA 32 ATOM 44932 H HB2 . GLU B 1 16 ? 9.776 -4.901 -1.698 1.00 0.00 ? 16 GLU B HB2 32 ATOM 44933 H HB3 . GLU B 1 16 ? 8.308 -4.941 -0.731 1.00 0.00 ? 16 GLU B HB3 32 ATOM 44934 H HG2 . GLU B 1 16 ? 9.277 -7.112 -0.700 1.00 0.00 ? 16 GLU B HG2 32 ATOM 44935 H HG3 . GLU B 1 16 ? 7.814 -7.182 -1.681 1.00 0.00 ? 16 GLU B HG3 32 ATOM 44936 N N . ILE B 1 17 ? 7.648 -2.367 -2.286 1.00 0.00 ? 17 ILE B N 32 ATOM 44937 C CA . ILE B 1 17 ? 6.896 -1.197 -1.853 1.00 0.00 ? 17 ILE B CA 32 ATOM 44938 C C . ILE B 1 17 ? 5.977 -0.705 -2.966 1.00 0.00 ? 17 ILE B C 32 ATOM 44939 O O . ILE B 1 17 ? 4.873 -0.225 -2.708 1.00 0.00 ? 17 ILE B O 32 ATOM 44940 C CB . ILE B 1 17 ? 7.849 -0.065 -1.411 1.00 0.00 ? 17 ILE B CB 32 ATOM 44941 C CG1 . ILE B 1 17 ? 7.073 1.116 -0.822 1.00 0.00 ? 17 ILE B CG1 32 ATOM 44942 C CG2 . ILE B 1 17 ? 8.723 0.383 -2.573 1.00 0.00 ? 17 ILE B CG2 32 ATOM 44943 C CD1 . ILE B 1 17 ? 6.307 1.935 -1.843 1.00 0.00 ? 17 ILE B CD1 32 ATOM 44944 H H . ILE B 1 17 ? 8.595 -2.262 -2.532 1.00 0.00 ? 17 ILE B H 32 ATOM 44945 H HA . ILE B 1 17 ? 6.289 -1.482 -1.005 1.00 0.00 ? 17 ILE B HA 32 ATOM 44946 H HB . ILE B 1 17 ? 8.499 -0.467 -0.642 1.00 0.00 ? 17 ILE B HB 32 ATOM 44947 H HG12 . ILE B 1 17 ? 6.368 0.743 -0.099 1.00 0.00 ? 17 ILE B HG12 32 ATOM 44948 H HG13 . ILE B 1 17 ? 7.766 1.778 -0.327 1.00 0.00 ? 17 ILE B HG13 32 ATOM 44949 H HG21 . ILE B 1 17 ? 8.837 -0.431 -3.272 1.00 0.00 ? 17 ILE B HG21 32 ATOM 44950 H HG22 . ILE B 1 17 ? 8.264 1.223 -3.071 1.00 0.00 ? 17 ILE B HG22 32 ATOM 44951 H HG23 . ILE B 1 17 ? 9.695 0.674 -2.200 1.00 0.00 ? 17 ILE B HG23 32 ATOM 44952 H HD11 . ILE B 1 17 ? 6.655 1.689 -2.835 1.00 0.00 ? 17 ILE B HD11 32 ATOM 44953 H HD12 . ILE B 1 17 ? 5.253 1.713 -1.766 1.00 0.00 ? 17 ILE B HD12 32 ATOM 44954 H HD13 . ILE B 1 17 ? 6.468 2.986 -1.655 1.00 0.00 ? 17 ILE B HD13 32 ATOM 44955 N N . GLU B 1 18 ? 6.433 -0.832 -4.208 1.00 0.00 ? 18 GLU B N 32 ATOM 44956 C CA . GLU B 1 18 ? 5.641 -0.401 -5.353 1.00 0.00 ? 18 GLU B CA 32 ATOM 44957 C C . GLU B 1 18 ? 4.564 -1.427 -5.686 1.00 0.00 ? 18 GLU B C 32 ATOM 44958 O O . GLU B 1 18 ? 3.514 -1.087 -6.231 1.00 0.00 ? 18 GLU B O 32 ATOM 44959 C CB . GLU B 1 18 ? 6.544 -0.177 -6.568 1.00 0.00 ? 18 GLU B CB 32 ATOM 44960 C CG . GLU B 1 18 ? 5.788 0.234 -7.820 1.00 0.00 ? 18 GLU B CG 32 ATOM 44961 C CD . GLU B 1 18 ? 6.560 -0.059 -9.090 1.00 0.00 ? 18 GLU B CD 32 ATOM 44962 O OE1 . GLU B 1 18 ? 7.647 0.530 -9.274 1.00 0.00 ? 18 GLU B OE1 32 ATOM 44963 O OE2 . GLU B 1 18 ? 6.080 -0.879 -9.902 1.00 0.00 ? 18 GLU B OE2 32 ATOM 44964 H H . GLU B 1 18 ? 7.316 -1.228 -4.358 1.00 0.00 ? 18 GLU B H 32 ATOM 44965 H HA . GLU B 1 18 ? 5.163 0.532 -5.093 1.00 0.00 ? 18 GLU B HA 32 ATOM 44966 H HB2 . GLU B 1 18 ? 7.258 0.599 -6.333 1.00 0.00 ? 18 GLU B HB2 32 ATOM 44967 H HB3 . GLU B 1 18 ? 7.077 -1.092 -6.779 1.00 0.00 ? 18 GLU B HB3 32 ATOM 44968 H HG2 . GLU B 1 18 ? 4.853 -0.305 -7.854 1.00 0.00 ? 18 GLU B HG2 32 ATOM 44969 H HG3 . GLU B 1 18 ? 5.589 1.294 -7.773 1.00 0.00 ? 18 GLU B HG3 32 ATOM 44970 N N . ARG B 1 19 ? 4.833 -2.687 -5.357 1.00 0.00 ? 19 ARG B N 32 ATOM 44971 C CA . ARG B 1 19 ? 3.888 -3.762 -5.625 1.00 0.00 ? 19 ARG B CA 32 ATOM 44972 C C . ARG B 1 19 ? 2.788 -3.811 -4.569 1.00 0.00 ? 19 ARG B C 32 ATOM 44973 O O . ARG B 1 19 ? 1.637 -4.130 -4.876 1.00 0.00 ? 19 ARG B O 32 ATOM 44974 C CB . ARG B 1 19 ? 4.616 -5.106 -5.680 1.00 0.00 ? 19 ARG B CB 32 ATOM 44975 C CG . ARG B 1 19 ? 3.693 -6.284 -5.949 1.00 0.00 ? 19 ARG B CG 32 ATOM 44976 C CD . ARG B 1 19 ? 4.216 -7.560 -5.308 1.00 0.00 ? 19 ARG B CD 32 ATOM 44977 N NE . ARG B 1 19 ? 3.580 -8.751 -5.863 1.00 0.00 ? 19 ARG B NE 32 ATOM 44978 C CZ . ARG B 1 19 ? 3.935 -9.309 -7.014 1.00 0.00 ? 19 ARG B CZ 32 ATOM 44979 N NH1 . ARG B 1 19 ? 4.920 -8.784 -7.731 1.00 0.00 ? 19 ARG B NH1 32 ATOM 44980 N NH2 . ARG B 1 19 ? 3.308 -10.392 -7.451 1.00 0.00 ? 19 ARG B NH2 32 ATOM 44981 H H . ARG B 1 19 ? 5.689 -2.897 -4.926 1.00 0.00 ? 19 ARG B H 32 ATOM 44982 H HA . ARG B 1 19 ? 3.436 -3.571 -6.586 1.00 0.00 ? 19 ARG B HA 32 ATOM 44983 H HB2 . ARG B 1 19 ? 5.358 -5.070 -6.464 1.00 0.00 ? 19 ARG B HB2 32 ATOM 44984 H HB3 . ARG B 1 19 ? 5.111 -5.274 -4.735 1.00 0.00 ? 19 ARG B HB3 32 ATOM 44985 H HG2 . ARG B 1 19 ? 2.717 -6.064 -5.544 1.00 0.00 ? 19 ARG B HG2 32 ATOM 44986 H HG3 . ARG B 1 19 ? 3.619 -6.433 -7.017 1.00 0.00 ? 19 ARG B HG3 32 ATOM 44987 H HD2 . ARG B 1 19 ? 5.281 -7.623 -5.477 1.00 0.00 ? 19 ARG B HD2 32 ATOM 44988 H HD3 . ARG B 1 19 ? 4.022 -7.519 -4.247 1.00 0.00 ? 19 ARG B HD3 32 ATOM 44989 H HE . ARG B 1 19 ? 2.849 -9.156 -5.349 1.00 0.00 ? 19 ARG B HE 32 ATOM 44990 H HH11 . ARG B 1 19 ? 5.396 -7.967 -7.405 1.00 0.00 ? 19 ARG B HH11 32 ATOM 44991 H HH12 . ARG B 1 19 ? 5.187 -9.205 -8.598 1.00 0.00 ? 19 ARG B HH12 32 ATOM 44992 H HH21 . ARG B 1 19 ? 2.565 -10.790 -6.914 1.00 0.00 ? 19 ARG B HH21 32 ATOM 44993 H HH22 . ARG B 1 19 ? 3.577 -10.809 -8.319 1.00 0.00 ? 19 ARG B HH22 32 ATOM 44994 N N . LEU B 1 20 ? 3.136 -3.490 -3.325 1.00 0.00 ? 20 LEU B N 32 ATOM 44995 C CA . LEU B 1 20 ? 2.165 -3.506 -2.249 1.00 0.00 ? 20 LEU B CA 32 ATOM 44996 C C . LEU B 1 20 ? 1.319 -2.241 -2.289 1.00 0.00 ? 20 LEU B C 32 ATOM 44997 O O . LEU B 1 20 ? 0.166 -2.243 -1.861 1.00 0.00 ? 20 LEU B O 32 ATOM 44998 C CB . LEU B 1 20 ? 2.869 -3.653 -0.900 1.00 0.00 ? 20 LEU B CB 32 ATOM 44999 C CG . LEU B 1 20 ? 3.598 -4.982 -0.691 1.00 0.00 ? 20 LEU B CG 32 ATOM 45000 C CD1 . LEU B 1 20 ? 4.441 -4.934 0.574 1.00 0.00 ? 20 LEU B CD1 32 ATOM 45001 C CD2 . LEU B 1 20 ? 2.603 -6.130 -0.626 1.00 0.00 ? 20 LEU B CD2 32 ATOM 45002 H H . LEU B 1 20 ? 4.062 -3.233 -3.127 1.00 0.00 ? 20 LEU B H 32 ATOM 45003 H HA . LEU B 1 20 ? 1.519 -4.358 -2.402 1.00 0.00 ? 20 LEU B HA 32 ATOM 45004 H HB2 . LEU B 1 20 ? 3.588 -2.852 -0.804 1.00 0.00 ? 20 LEU B HB2 32 ATOM 45005 H HB3 . LEU B 1 20 ? 2.131 -3.548 -0.120 1.00 0.00 ? 20 LEU B HB3 32 ATOM 45006 H HG . LEU B 1 20 ? 4.260 -5.157 -1.527 1.00 0.00 ? 20 LEU B HG 32 ATOM 45007 H HD11 . LEU B 1 20 ? 3.875 -4.468 1.366 1.00 0.00 ? 20 LEU B HD11 32 ATOM 45008 H HD12 . LEU B 1 20 ? 4.709 -5.938 0.865 1.00 0.00 ? 20 LEU B HD12 32 ATOM 45009 H HD13 . LEU B 1 20 ? 5.338 -4.361 0.388 1.00 0.00 ? 20 LEU B HD13 32 ATOM 45010 H HD21 . LEU B 1 20 ? 2.008 -6.141 -1.528 1.00 0.00 ? 20 LEU B HD21 32 ATOM 45011 H HD22 . LEU B 1 20 ? 3.137 -7.064 -0.535 1.00 0.00 ? 20 LEU B HD22 32 ATOM 45012 H HD23 . LEU B 1 20 ? 1.959 -5.999 0.230 1.00 0.00 ? 20 LEU B HD23 32 ATOM 45013 N N . GLN B 1 21 ? 1.891 -1.166 -2.830 1.00 0.00 ? 21 GLN B N 32 ATOM 45014 C CA . GLN B 1 21 ? 1.171 0.096 -2.951 1.00 0.00 ? 21 GLN B CA 32 ATOM 45015 C C . GLN B 1 21 ? 0.151 -0.004 -4.077 1.00 0.00 ? 21 GLN B C 32 ATOM 45016 O O . GLN B 1 21 ? -0.967 0.499 -3.965 1.00 0.00 ? 21 GLN B O 32 ATOM 45017 C CB . GLN B 1 21 ? 2.141 1.255 -3.221 1.00 0.00 ? 21 GLN B CB 32 ATOM 45018 C CG . GLN B 1 21 ? 1.455 2.552 -3.620 1.00 0.00 ? 21 GLN B CG 32 ATOM 45019 C CD . GLN B 1 21 ? 1.776 3.694 -2.677 1.00 0.00 ? 21 GLN B CD 32 ATOM 45020 O OE1 . GLN B 1 21 ? 2.506 4.620 -3.030 1.00 0.00 ? 21 GLN B OE1 32 ATOM 45021 N NE2 . GLN B 1 21 ? 1.231 3.635 -1.467 1.00 0.00 ? 21 GLN B NE2 32 ATOM 45022 H H . GLN B 1 21 ? 2.809 -1.229 -3.171 1.00 0.00 ? 21 GLN B H 32 ATOM 45023 H HA . GLN B 1 21 ? 0.649 0.273 -2.023 1.00 0.00 ? 21 GLN B HA 32 ATOM 45024 H HB2 . GLN B 1 21 ? 2.717 1.442 -2.328 1.00 0.00 ? 21 GLN B HB2 32 ATOM 45025 H HB3 . GLN B 1 21 ? 2.813 0.968 -4.016 1.00 0.00 ? 21 GLN B HB3 32 ATOM 45026 H HG2 . GLN B 1 21 ? 1.779 2.824 -4.613 1.00 0.00 ? 21 GLN B HG2 32 ATOM 45027 H HG3 . GLN B 1 21 ? 0.387 2.394 -3.621 1.00 0.00 ? 21 GLN B HG3 32 ATOM 45028 H HE21 . GLN B 1 21 ? 0.660 2.867 -1.254 1.00 0.00 ? 21 GLN B HE21 32 ATOM 45029 H HE22 . GLN B 1 21 ? 1.421 4.361 -0.837 1.00 0.00 ? 21 GLN B HE22 32 ATOM 45030 N N . LYS B 1 22 ? 0.543 -0.671 -5.160 1.00 0.00 ? 22 LYS B N 32 ATOM 45031 C CA . LYS B 1 22 ? -0.339 -0.853 -6.304 1.00 0.00 ? 22 LYS B CA 32 ATOM 45032 C C . LYS B 1 22 ? -1.573 -1.647 -5.893 1.00 0.00 ? 22 LYS B C 32 ATOM 45033 O O . LYS B 1 22 ? -2.701 -1.275 -6.219 1.00 0.00 ? 22 LYS B O 32 ATOM 45034 C CB . LYS B 1 22 ? 0.397 -1.574 -7.435 1.00 0.00 ? 22 LYS B CB 32 ATOM 45035 C CG . LYS B 1 22 ? -0.483 -1.884 -8.635 1.00 0.00 ? 22 LYS B CG 32 ATOM 45036 C CD . LYS B 1 22 ? 0.007 -3.117 -9.380 1.00 0.00 ? 22 LYS B CD 32 ATOM 45037 C CE . LYS B 1 22 ? -0.355 -4.394 -8.640 1.00 0.00 ? 22 LYS B CE 32 ATOM 45038 N NZ . LYS B 1 22 ? 0.275 -5.593 -9.261 1.00 0.00 ? 22 LYS B NZ 32 ATOM 45039 H H . LYS B 1 22 ? 1.445 -1.056 -5.184 1.00 0.00 ? 22 LYS B H 32 ATOM 45040 H HA . LYS B 1 22 ? -0.647 0.123 -6.647 1.00 0.00 ? 22 LYS B HA 32 ATOM 45041 H HB2 . LYS B 1 22 ? 1.217 -0.955 -7.767 1.00 0.00 ? 22 LYS B HB2 32 ATOM 45042 H HB3 . LYS B 1 22 ? 0.793 -2.505 -7.056 1.00 0.00 ? 22 LYS B HB3 32 ATOM 45043 H HG2 . LYS B 1 22 ? -1.492 -2.059 -8.295 1.00 0.00 ? 22 LYS B HG2 32 ATOM 45044 H HG3 . LYS B 1 22 ? -0.470 -1.039 -9.308 1.00 0.00 ? 22 LYS B HG3 32 ATOM 45045 H HD2 . LYS B 1 22 ? -0.449 -3.138 -10.358 1.00 0.00 ? 22 LYS B HD2 32 ATOM 45046 H HD3 . LYS B 1 22 ? 1.080 -3.061 -9.482 1.00 0.00 ? 22 LYS B HD3 32 ATOM 45047 H HE2 . LYS B 1 22 ? -0.018 -4.311 -7.618 1.00 0.00 ? 22 LYS B HE2 32 ATOM 45048 H HE3 . LYS B 1 22 ? -1.428 -4.513 -8.656 1.00 0.00 ? 22 LYS B HE3 32 ATOM 45049 H HZ1 . LYS B 1 22 ? 0.029 -5.643 -10.270 1.00 0.00 ? 22 LYS B HZ1 32 ATOM 45050 H HZ2 . LYS B 1 22 ? 1.309 -5.540 -9.169 1.00 0.00 ? 22 LYS B HZ2 32 ATOM 45051 H HZ3 . LYS B 1 22 ? -0.060 -6.457 -8.790 1.00 0.00 ? 22 LYS B HZ3 32 ATOM 45052 N N . GLU B 1 23 ? -1.351 -2.740 -5.168 1.00 0.00 ? 23 GLU B N 32 ATOM 45053 C CA . GLU B 1 23 ? -2.449 -3.580 -4.705 1.00 0.00 ? 23 GLU B CA 32 ATOM 45054 C C . GLU B 1 23 ? -3.406 -2.776 -3.832 1.00 0.00 ? 23 GLU B C 32 ATOM 45055 O O . GLU B 1 23 ? -4.617 -2.767 -4.063 1.00 0.00 ? 23 GLU B O 32 ATOM 45056 C CB . GLU B 1 23 ? -1.909 -4.780 -3.926 1.00 0.00 ? 23 GLU B CB 32 ATOM 45057 C CG . GLU B 1 23 ? -2.695 -6.060 -4.163 1.00 0.00 ? 23 GLU B CG 32 ATOM 45058 C CD . GLU B 1 23 ? -1.875 -7.125 -4.865 1.00 0.00 ? 23 GLU B CD 32 ATOM 45059 O OE1 . GLU B 1 23 ? -0.832 -6.777 -5.457 1.00 0.00 ? 23 GLU B OE1 32 ATOM 45060 O OE2 . GLU B 1 23 ? -2.275 -8.307 -4.822 1.00 0.00 ? 23 GLU B OE2 32 ATOM 45061 H H . GLU B 1 23 ? -0.427 -2.984 -4.935 1.00 0.00 ? 23 GLU B H 32 ATOM 45062 H HA . GLU B 1 23 ? -2.984 -3.933 -5.572 1.00 0.00 ? 23 GLU B HA 32 ATOM 45063 H HB2 . GLU B 1 23 ? -0.884 -4.953 -4.218 1.00 0.00 ? 23 GLU B HB2 32 ATOM 45064 H HB3 . GLU B 1 23 ? -1.941 -4.555 -2.870 1.00 0.00 ? 23 GLU B HB3 32 ATOM 45065 H HG2 . GLU B 1 23 ? -3.021 -6.448 -3.210 1.00 0.00 ? 23 GLU B HG2 32 ATOM 45066 H HG3 . GLU B 1 23 ? -3.556 -5.830 -4.772 1.00 0.00 ? 23 GLU B HG3 32 ATOM 45067 N N . ILE B 1 24 ? -2.857 -2.094 -2.831 1.00 0.00 ? 24 ILE B N 32 ATOM 45068 C CA . ILE B 1 24 ? -3.673 -1.283 -1.937 1.00 0.00 ? 24 ILE B CA 32 ATOM 45069 C C . ILE B 1 24 ? -4.315 -0.123 -2.688 1.00 0.00 ? 24 ILE B C 32 ATOM 45070 O O . ILE B 1 24 ? -5.301 0.454 -2.230 1.00 0.00 ? 24 ILE B O 32 ATOM 45071 C CB . ILE B 1 24 ? -2.858 -0.740 -0.747 1.00 0.00 ? 24 ILE B CB 32 ATOM 45072 C CG1 . ILE B 1 24 ? -3.755 0.104 0.171 1.00 0.00 ? 24 ILE B CG1 32 ATOM 45073 C CG2 . ILE B 1 24 ? -1.647 0.047 -1.218 1.00 0.00 ? 24 ILE B CG2 32 ATOM 45074 C CD1 . ILE B 1 24 ? -3.864 1.566 -0.221 1.00 0.00 ? 24 ILE B CD1 32 ATOM 45075 H H . ILE B 1 24 ? -1.885 -2.131 -2.696 1.00 0.00 ? 24 ILE B H 32 ATOM 45076 H HA . ILE B 1 24 ? -4.457 -1.915 -1.547 1.00 0.00 ? 24 ILE B HA 32 ATOM 45077 H HB . ILE B 1 24 ? -2.493 -1.581 -0.188 1.00 0.00 ? 24 ILE B HB 32 ATOM 45078 H HG12 . ILE B 1 24 ? -4.750 -0.312 0.164 1.00 0.00 ? 24 ILE B HG12 32 ATOM 45079 H HG13 . ILE B 1 24 ? -3.363 0.058 1.174 1.00 0.00 ? 24 ILE B HG13 32 ATOM 45080 H HG21 . ILE B 1 24 ? -1.133 -0.510 -1.983 1.00 0.00 ? 24 ILE B HG21 32 ATOM 45081 H HG22 . ILE B 1 24 ? -1.965 0.998 -1.615 1.00 0.00 ? 24 ILE B HG22 32 ATOM 45082 H HG23 . ILE B 1 24 ? -0.983 0.207 -0.382 1.00 0.00 ? 24 ILE B HG23 32 ATOM 45083 H HD11 . ILE B 1 24 ? -3.543 1.687 -1.246 1.00 0.00 ? 24 ILE B HD11 32 ATOM 45084 H HD12 . ILE B 1 24 ? -4.886 1.892 -0.125 1.00 0.00 ? 24 ILE B HD12 32 ATOM 45085 H HD13 . ILE B 1 24 ? -3.234 2.159 0.424 1.00 0.00 ? 24 ILE B HD13 32 ATOM 45086 N N . GLU B 1 25 ? -3.763 0.205 -3.856 1.00 0.00 ? 25 GLU B N 32 ATOM 45087 C CA . GLU B 1 25 ? -4.301 1.281 -4.674 1.00 0.00 ? 25 GLU B CA 32 ATOM 45088 C C . GLU B 1 25 ? -5.632 0.853 -5.278 1.00 0.00 ? 25 GLU B C 32 ATOM 45089 O O . GLU B 1 25 ? -6.578 1.639 -5.351 1.00 0.00 ? 25 GLU B O 32 ATOM 45090 C CB . GLU B 1 25 ? -3.316 1.655 -5.781 1.00 0.00 ? 25 GLU B CB 32 ATOM 45091 C CG . GLU B 1 25 ? -3.535 3.047 -6.348 1.00 0.00 ? 25 GLU B CG 32 ATOM 45092 C CD . GLU B 1 25 ? -2.574 3.376 -7.473 1.00 0.00 ? 25 GLU B CD 32 ATOM 45093 O OE1 . GLU B 1 25 ? -2.013 2.434 -8.070 1.00 0.00 ? 25 GLU B OE1 32 ATOM 45094 O OE2 . GLU B 1 25 ? -2.382 4.577 -7.757 1.00 0.00 ? 25 GLU B OE2 32 ATOM 45095 H H . GLU B 1 25 ? -2.988 -0.296 -4.180 1.00 0.00 ? 25 GLU B H 32 ATOM 45096 H HA . GLU B 1 25 ? -4.463 2.138 -4.037 1.00 0.00 ? 25 GLU B HA 32 ATOM 45097 H HB2 . GLU B 1 25 ? -2.311 1.604 -5.386 1.00 0.00 ? 25 GLU B HB2 32 ATOM 45098 H HB3 . GLU B 1 25 ? -3.412 0.942 -6.588 1.00 0.00 ? 25 GLU B HB3 32 ATOM 45099 H HG2 . GLU B 1 25 ? -4.545 3.113 -6.727 1.00 0.00 ? 25 GLU B HG2 32 ATOM 45100 H HG3 . GLU B 1 25 ? -3.402 3.770 -5.556 1.00 0.00 ? 25 GLU B HG3 32 ATOM 45101 N N . ARG B 1 26 ? -5.700 -0.407 -5.696 1.00 0.00 ? 26 ARG B N 32 ATOM 45102 C CA . ARG B 1 26 ? -6.918 -0.954 -6.280 1.00 0.00 ? 26 ARG B CA 32 ATOM 45103 C C . ARG B 1 26 ? -8.025 -1.013 -5.236 1.00 0.00 ? 26 ARG B C 32 ATOM 45104 O O . ARG B 1 26 ? -9.147 -0.558 -5.473 1.00 0.00 ? 26 ARG B O 32 ATOM 45105 C CB . ARG B 1 26 ? -6.656 -2.352 -6.846 1.00 0.00 ? 26 ARG B CB 32 ATOM 45106 C CG . ARG B 1 26 ? -6.112 -2.342 -8.265 1.00 0.00 ? 26 ARG B CG 32 ATOM 45107 C CD . ARG B 1 26 ? -5.426 -3.656 -8.606 1.00 0.00 ? 26 ARG B CD 32 ATOM 45108 N NE . ARG B 1 26 ? -6.327 -4.582 -9.288 1.00 0.00 ? 26 ARG B NE 32 ATOM 45109 C CZ . ARG B 1 26 ? -6.070 -5.876 -9.447 1.00 0.00 ? 26 ARG B CZ 32 ATOM 45110 N NH1 . ARG B 1 26 ? -4.945 -6.393 -8.974 1.00 0.00 ? 26 ARG B NH1 32 ATOM 45111 N NH2 . ARG B 1 26 ? -6.938 -6.654 -10.078 1.00 0.00 ? 26 ARG B NH2 32 ATOM 45112 H H . ARG B 1 26 ? -4.914 -0.987 -5.599 1.00 0.00 ? 26 ARG B H 32 ATOM 45113 H HA . ARG B 1 26 ? -7.226 -0.300 -7.082 1.00 0.00 ? 26 ARG B HA 32 ATOM 45114 H HB2 . ARG B 1 26 ? -5.940 -2.855 -6.212 1.00 0.00 ? 26 ARG B HB2 32 ATOM 45115 H HB3 . ARG B 1 26 ? -7.582 -2.908 -6.842 1.00 0.00 ? 26 ARG B HB3 32 ATOM 45116 H HG2 . ARG B 1 26 ? -6.929 -2.185 -8.952 1.00 0.00 ? 26 ARG B HG2 32 ATOM 45117 H HG3 . ARG B 1 26 ? -5.397 -1.538 -8.361 1.00 0.00 ? 26 ARG B HG3 32 ATOM 45118 H HD2 . ARG B 1 26 ? -4.583 -3.451 -9.249 1.00 0.00 ? 26 ARG B HD2 32 ATOM 45119 H HD3 . ARG B 1 26 ? -5.079 -4.115 -7.692 1.00 0.00 ? 26 ARG B HD3 32 ATOM 45120 H HE . ARG B 1 26 ? -7.165 -4.220 -9.645 1.00 0.00 ? 26 ARG B HE 32 ATOM 45121 H HH11 . ARG B 1 26 ? -4.287 -5.810 -8.497 1.00 0.00 ? 26 ARG B HH11 32 ATOM 45122 H HH12 . ARG B 1 26 ? -4.752 -7.368 -9.095 1.00 0.00 ? 26 ARG B HH12 32 ATOM 45123 H HH21 . ARG B 1 26 ? -7.788 -6.266 -10.435 1.00 0.00 ? 26 ARG B HH21 32 ATOM 45124 H HH22 . ARG B 1 26 ? -6.743 -7.627 -10.197 1.00 0.00 ? 26 ARG B HH22 32 ATOM 45125 N N . HIS B 1 27 ? -7.699 -1.561 -4.067 1.00 0.00 ? 27 HIS B N 32 ATOM 45126 C CA . HIS B 1 27 ? -8.663 -1.661 -2.983 1.00 0.00 ? 27 HIS B CA 32 ATOM 45127 C C . HIS B 1 27 ? -9.024 -0.273 -2.470 1.00 0.00 ? 27 HIS B C 32 ATOM 45128 O O . HIS B 1 27 ? -10.092 -0.073 -1.896 1.00 0.00 ? 27 HIS B O 32 ATOM 45129 C CB . HIS B 1 27 ? -8.099 -2.514 -1.846 1.00 0.00 ? 27 HIS B CB 32 ATOM 45130 C CG . HIS B 1 27 ? -8.633 -3.913 -1.826 1.00 0.00 ? 27 HIS B CG 32 ATOM 45131 N ND1 . HIS B 1 27 ? -9.977 -4.205 -1.724 1.00 0.00 ? 27 HIS B ND1 32 ATOM 45132 C CD2 . HIS B 1 27 ? -7.994 -5.106 -1.894 1.00 0.00 ? 27 HIS B CD2 32 ATOM 45133 C CE1 . HIS B 1 27 ? -10.142 -5.517 -1.729 1.00 0.00 ? 27 HIS B CE1 32 ATOM 45134 N NE2 . HIS B 1 27 ? -8.956 -6.084 -1.833 1.00 0.00 ? 27 HIS B NE2 32 ATOM 45135 H H . HIS B 1 27 ? -6.787 -1.893 -3.927 1.00 0.00 ? 27 HIS B H 32 ATOM 45136 H HA . HIS B 1 27 ? -9.554 -2.132 -3.372 1.00 0.00 ? 27 HIS B HA 32 ATOM 45137 H HB2 . HIS B 1 27 ? -7.026 -2.570 -1.945 1.00 0.00 ? 27 HIS B HB2 32 ATOM 45138 H HB3 . HIS B 1 27 ? -8.345 -2.049 -0.902 1.00 0.00 ? 27 HIS B HB3 32 ATOM 45139 H HD1 . HIS B 1 27 ? -10.702 -3.550 -1.656 1.00 0.00 ? 27 HIS B HD1 32 ATOM 45140 H HD2 . HIS B 1 27 ? -6.927 -5.258 -1.983 1.00 0.00 ? 27 HIS B HD2 32 ATOM 45141 H HE1 . HIS B 1 27 ? -11.087 -6.035 -1.662 1.00 0.00 ? 27 HIS B HE1 32 ATOM 45142 H HE2 . HIS B 1 27 ? -8.790 -7.050 -1.860 1.00 0.00 ? 27 HIS B HE2 32 ATOM 45143 N N . LYS B 1 28 ? -8.121 0.684 -2.684 1.00 0.00 ? 28 LYS B N 32 ATOM 45144 C CA . LYS B 1 28 ? -8.341 2.056 -2.246 1.00 0.00 ? 28 LYS B CA 32 ATOM 45145 C C . LYS B 1 28 ? -9.285 2.788 -3.190 1.00 0.00 ? 28 LYS B C 32 ATOM 45146 O O . LYS B 1 28 ? -9.949 3.743 -2.796 1.00 0.00 ? 28 LYS B O 32 ATOM 45147 C CB . LYS B 1 28 ? -7.010 2.804 -2.152 1.00 0.00 ? 28 LYS B CB 32 ATOM 45148 C CG . LYS B 1 28 ? -7.150 4.237 -1.663 1.00 0.00 ? 28 LYS B CG 32 ATOM 45149 C CD . LYS B 1 28 ? -6.463 5.215 -2.601 1.00 0.00 ? 28 LYS B CD 32 ATOM 45150 C CE . LYS B 1 28 ? -4.969 4.947 -2.690 1.00 0.00 ? 28 LYS B CE 32 ATOM 45151 N NZ . LYS B 1 28 ? -4.169 6.103 -2.199 1.00 0.00 ? 28 LYS B NZ 32 ATOM 45152 H H . LYS B 1 28 ? -7.288 0.464 -3.149 1.00 0.00 ? 28 LYS B H 32 ATOM 45153 H HA . LYS B 1 28 ? -8.792 2.021 -1.271 1.00 0.00 ? 28 LYS B HA 32 ATOM 45154 H HB2 . LYS B 1 28 ? -6.360 2.276 -1.471 1.00 0.00 ? 28 LYS B HB2 32 ATOM 45155 H HB3 . LYS B 1 28 ? -6.553 2.825 -3.131 1.00 0.00 ? 28 LYS B HB3 32 ATOM 45156 H HG2 . LYS B 1 28 ? -8.199 4.486 -1.605 1.00 0.00 ? 28 LYS B HG2 32 ATOM 45157 H HG3 . LYS B 1 28 ? -6.704 4.316 -0.683 1.00 0.00 ? 28 LYS B HG3 32 ATOM 45158 H HD2 . LYS B 1 28 ? -6.894 5.118 -3.587 1.00 0.00 ? 28 LYS B HD2 32 ATOM 45159 H HD3 . LYS B 1 28 ? -6.620 6.219 -2.236 1.00 0.00 ? 28 LYS B HD3 32 ATOM 45160 H HE2 . LYS B 1 28 ? -4.736 4.080 -2.090 1.00 0.00 ? 28 LYS B HE2 32 ATOM 45161 H HE3 . LYS B 1 28 ? -4.712 4.753 -3.720 1.00 0.00 ? 28 LYS B HE3 32 ATOM 45162 H HZ1 . LYS B 1 28 ? -4.643 6.549 -1.388 1.00 0.00 ? 28 LYS B HZ1 32 ATOM 45163 H HZ2 . LYS B 1 28 ? -3.224 5.783 -1.902 1.00 0.00 ? 28 LYS B HZ2 32 ATOM 45164 H HZ3 . LYS B 1 28 ? -4.061 6.810 -2.954 1.00 0.00 ? 28 LYS B HZ3 32 ATOM 45165 N N . GLN B 1 29 ? -9.344 2.333 -4.435 1.00 0.00 ? 29 GLN B N 32 ATOM 45166 C CA . GLN B 1 29 ? -10.216 2.950 -5.424 1.00 0.00 ? 29 GLN B CA 32 ATOM 45167 C C . GLN B 1 29 ? -11.656 2.493 -5.226 1.00 0.00 ? 29 GLN B C 32 ATOM 45168 O O . GLN B 1 29 ? -12.592 3.277 -5.381 1.00 0.00 ? 29 GLN B O 32 ATOM 45169 C CB . GLN B 1 29 ? -9.744 2.608 -6.840 1.00 0.00 ? 29 GLN B CB 32 ATOM 45170 C CG . GLN B 1 29 ? -10.586 3.248 -7.931 1.00 0.00 ? 29 GLN B CG 32 ATOM 45171 C CD . GLN B 1 29 ? -10.270 2.696 -9.308 1.00 0.00 ? 29 GLN B CD 32 ATOM 45172 O OE1 . GLN B 1 29 ? -9.925 3.443 -10.224 1.00 0.00 ? 29 GLN B OE1 32 ATOM 45173 N NE2 . GLN B 1 29 ? -10.390 1.382 -9.461 1.00 0.00 ? 29 GLN B NE2 32 ATOM 45174 H H . GLN B 1 29 ? -8.792 1.565 -4.693 1.00 0.00 ? 29 GLN B H 32 ATOM 45175 H HA . GLN B 1 29 ? -10.170 4.018 -5.285 1.00 0.00 ? 29 GLN B HA 32 ATOM 45176 H HB2 . GLN B 1 29 ? -8.725 2.944 -6.958 1.00 0.00 ? 29 GLN B HB2 32 ATOM 45177 H HB3 . GLN B 1 29 ? -9.779 1.536 -6.969 1.00 0.00 ? 29 GLN B HB3 32 ATOM 45178 H HG2 . GLN B 1 29 ? -11.629 3.065 -7.719 1.00 0.00 ? 29 GLN B HG2 32 ATOM 45179 H HG3 . GLN B 1 29 ? -10.401 4.312 -7.935 1.00 0.00 ? 29 GLN B HG3 32 ATOM 45180 H HE21 . GLN B 1 29 ? -10.670 0.850 -8.688 1.00 0.00 ? 29 GLN B HE21 32 ATOM 45181 H HE22 . GLN B 1 29 ? -10.191 1.000 -10.341 1.00 0.00 ? 29 GLN B HE22 32 ATOM 45182 N N . SER B 1 30 ? -11.824 1.223 -4.876 1.00 0.00 ? 30 SER B N 32 ATOM 45183 C CA . SER B 1 30 ? -13.152 0.668 -4.649 1.00 0.00 ? 30 SER B CA 32 ATOM 45184 C C . SER B 1 30 ? -13.735 1.178 -3.333 1.00 0.00 ? 30 SER B C 32 ATOM 45185 O O . SER B 1 30 ? -14.912 1.533 -3.257 1.00 0.00 ? 30 SER B O 32 ATOM 45186 C CB . SER B 1 30 ? -13.095 -0.861 -4.638 1.00 0.00 ? 30 SER B CB 32 ATOM 45187 O OG . SER B 1 30 ? -13.739 -1.403 -5.778 1.00 0.00 ? 30 SER B OG 32 ATOM 45188 H H . SER B 1 30 ? -11.037 0.647 -4.765 1.00 0.00 ? 30 SER B H 32 ATOM 45189 H HA . SER B 1 30 ? -13.789 0.990 -5.460 1.00 0.00 ? 30 SER B HA 32 ATOM 45190 H HB2 . SER B 1 30 ? -12.063 -1.180 -4.638 1.00 0.00 ? 30 SER B HB2 32 ATOM 45191 H HB3 . SER B 1 30 ? -13.587 -1.231 -3.751 1.00 0.00 ? 30 SER B HB3 32 ATOM 45192 H HG . SER B 1 30 ? -14.269 -2.160 -5.516 1.00 0.00 ? 30 SER B HG 32 ATOM 45193 N N . ILE B 1 31 ? -12.900 1.213 -2.298 1.00 0.00 ? 31 ILE B N 32 ATOM 45194 C CA . ILE B 1 31 ? -13.330 1.679 -0.984 1.00 0.00 ? 31 ILE B CA 32 ATOM 45195 C C . ILE B 1 31 ? -13.501 3.194 -0.975 1.00 0.00 ? 31 ILE B C 32 ATOM 45196 O O . ILE B 1 31 ? -14.348 3.728 -0.258 1.00 0.00 ? 31 ILE B O 32 ATOM 45197 C CB . ILE B 1 31 ? -12.323 1.265 0.107 1.00 0.00 ? 31 ILE B CB 32 ATOM 45198 C CG1 . ILE B 1 31 ? -12.770 1.754 1.483 1.00 0.00 ? 31 ILE B CG1 32 ATOM 45199 C CG2 . ILE B 1 31 ? -10.945 1.812 -0.217 1.00 0.00 ? 31 ILE B CG2 32 ATOM 45200 C CD1 . ILE B 1 31 ? -13.846 0.898 2.108 1.00 0.00 ? 31 ILE B CD1 32 ATOM 45201 H H . ILE B 1 31 ? -11.971 0.920 -2.419 1.00 0.00 ? 31 ILE B H 32 ATOM 45202 H HA . ILE B 1 31 ? -14.283 1.220 -0.764 1.00 0.00 ? 31 ILE B HA 32 ATOM 45203 H HB . ILE B 1 31 ? -12.263 0.185 0.117 1.00 0.00 ? 31 ILE B HB 32 ATOM 45204 H HG12 . ILE B 1 31 ? -11.918 1.747 2.150 1.00 0.00 ? 31 ILE B HG12 32 ATOM 45205 H HG13 . ILE B 1 31 ? -13.150 2.761 1.397 1.00 0.00 ? 31 ILE B HG13 32 ATOM 45206 H HG21 . ILE B 1 31 ? -10.899 2.076 -1.263 1.00 0.00 ? 31 ILE B HG21 32 ATOM 45207 H HG22 . ILE B 1 31 ? -10.755 2.689 0.384 1.00 0.00 ? 31 ILE B HG22 32 ATOM 45208 H HG23 . ILE B 1 31 ? -10.200 1.060 -0.002 1.00 0.00 ? 31 ILE B HG23 32 ATOM 45209 H HD11 . ILE B 1 31 ? -14.305 0.284 1.347 1.00 0.00 ? 31 ILE B HD11 32 ATOM 45210 H HD12 . ILE B 1 31 ? -13.405 0.266 2.864 1.00 0.00 ? 31 ILE B HD12 32 ATOM 45211 H HD13 . ILE B 1 31 ? -14.594 1.533 2.559 1.00 0.00 ? 31 ILE B HD13 32 ATOM 45212 N N . LYS B 1 32 ? -12.703 3.880 -1.785 1.00 0.00 ? 32 LYS B N 32 ATOM 45213 C CA . LYS B 1 32 ? -12.780 5.332 -1.876 1.00 0.00 ? 32 LYS B CA 32 ATOM 45214 C C . LYS B 1 32 ? -13.948 5.749 -2.765 1.00 0.00 ? 32 LYS B C 32 ATOM 45215 O O . LYS B 1 32 ? -14.462 6.861 -2.651 1.00 0.00 ? 32 LYS B O 32 ATOM 45216 C CB . LYS B 1 32 ? -11.473 5.905 -2.428 1.00 0.00 ? 32 LYS B CB 32 ATOM 45217 C CG . LYS B 1 32 ? -11.464 7.422 -2.518 1.00 0.00 ? 32 LYS B CG 32 ATOM 45218 C CD . LYS B 1 32 ? -10.273 7.924 -3.319 1.00 0.00 ? 32 LYS B CD 32 ATOM 45219 C CE . LYS B 1 32 ? -10.387 7.541 -4.785 1.00 0.00 ? 32 LYS B CE 32 ATOM 45220 N NZ . LYS B 1 32 ? -9.354 6.544 -5.181 1.00 0.00 ? 32 LYS B NZ 32 ATOM 45221 H H . LYS B 1 32 ? -12.055 3.399 -2.343 1.00 0.00 ? 32 LYS B H 32 ATOM 45222 H HA . LYS B 1 32 ? -12.944 5.720 -0.881 1.00 0.00 ? 32 LYS B HA 32 ATOM 45223 H HB2 . LYS B 1 32 ? -10.661 5.599 -1.786 1.00 0.00 ? 32 LYS B HB2 32 ATOM 45224 H HB3 . LYS B 1 32 ? -11.308 5.506 -3.417 1.00 0.00 ? 32 LYS B HB3 32 ATOM 45225 H HG2 . LYS B 1 32 ? -12.373 7.750 -2.999 1.00 0.00 ? 32 LYS B HG2 32 ATOM 45226 H HG3 . LYS B 1 32 ? -11.415 7.832 -1.520 1.00 0.00 ? 32 LYS B HG3 32 ATOM 45227 H HD2 . LYS B 1 32 ? -10.227 9.000 -3.241 1.00 0.00 ? 32 LYS B HD2 32 ATOM 45228 H HD3 . LYS B 1 32 ? -9.370 7.492 -2.912 1.00 0.00 ? 32 LYS B HD3 32 ATOM 45229 H HE2 . LYS B 1 32 ? -11.366 7.119 -4.960 1.00 0.00 ? 32 LYS B HE2 32 ATOM 45230 H HE3 . LYS B 1 32 ? -10.267 8.431 -5.387 1.00 0.00 ? 32 LYS B HE3 32 ATOM 45231 H HZ1 . LYS B 1 32 ? -9.105 5.945 -4.368 1.00 0.00 ? 32 LYS B HZ1 32 ATOM 45232 H HZ2 . LYS B 1 32 ? -9.714 5.941 -5.947 1.00 0.00 ? 32 LYS B HZ2 32 ATOM 45233 H HZ3 . LYS B 1 32 ? -8.497 7.032 -5.514 1.00 0.00 ? 32 LYS B HZ3 32 ATOM 45234 N N . LYS B 1 33 ? -14.360 4.847 -3.653 1.00 0.00 ? 33 LYS B N 32 ATOM 45235 C CA . LYS B 1 33 ? -15.465 5.118 -4.561 1.00 0.00 ? 33 LYS B CA 32 ATOM 45236 C C . LYS B 1 33 ? -16.802 5.035 -3.834 1.00 0.00 ? 33 LYS B C 32 ATOM 45237 O O . LYS B 1 33 ? -17.696 5.847 -4.073 1.00 0.00 ? 33 LYS B O 32 ATOM 45238 C CB . LYS B 1 33 ? -15.445 4.136 -5.733 1.00 0.00 ? 33 LYS B CB 32 ATOM 45239 C CG . LYS B 1 33 ? -16.569 4.356 -6.732 1.00 0.00 ? 33 LYS B CG 32 ATOM 45240 C CD . LYS B 1 33 ? -16.252 3.724 -8.077 1.00 0.00 ? 33 LYS B CD 32 ATOM 45241 C CE . LYS B 1 33 ? -15.105 4.440 -8.773 1.00 0.00 ? 33 LYS B CE 32 ATOM 45242 N NZ . LYS B 1 33 ? -14.173 3.485 -9.433 1.00 0.00 ? 33 LYS B NZ 32 ATOM 45243 H H . LYS B 1 33 ? -13.911 3.978 -3.698 1.00 0.00 ? 33 LYS B H 32 ATOM 45244 H HA . LYS B 1 33 ? -15.340 6.120 -4.940 1.00 0.00 ? 33 LYS B HA 32 ATOM 45245 H HB2 . LYS B 1 33 ? -14.504 4.234 -6.254 1.00 0.00 ? 33 LYS B HB2 32 ATOM 45246 H HB3 . LYS B 1 33 ? -15.528 3.131 -5.346 1.00 0.00 ? 33 LYS B HB3 32 ATOM 45247 H HG2 . LYS B 1 33 ? -17.474 3.915 -6.343 1.00 0.00 ? 33 LYS B HG2 32 ATOM 45248 H HG3 . LYS B 1 33 ? -16.713 5.418 -6.868 1.00 0.00 ? 33 LYS B HG3 32 ATOM 45249 H HD2 . LYS B 1 33 ? -15.976 2.692 -7.922 1.00 0.00 ? 33 LYS B HD2 32 ATOM 45250 H HD3 . LYS B 1 33 ? -17.130 3.775 -8.703 1.00 0.00 ? 33 LYS B HD3 32 ATOM 45251 H HE2 . LYS B 1 33 ? -15.513 5.104 -9.521 1.00 0.00 ? 33 LYS B HE2 32 ATOM 45252 H HE3 . LYS B 1 33 ? -14.560 5.017 -8.040 1.00 0.00 ? 33 LYS B HE3 32 ATOM 45253 H HZ1 . LYS B 1 33 ? -14.232 2.554 -8.975 1.00 0.00 ? 33 LYS B HZ1 32 ATOM 45254 H HZ2 . LYS B 1 33 ? -14.418 3.382 -10.438 1.00 0.00 ? 33 LYS B HZ2 32 ATOM 45255 H HZ3 . LYS B 1 33 ? -13.195 3.833 -9.360 1.00 0.00 ? 33 LYS B HZ3 32 ATOM 45256 N N . LEU B 1 34 ? -16.938 4.055 -2.943 1.00 0.00 ? 34 LEU B N 32 ATOM 45257 C CA . LEU B 1 34 ? -18.173 3.892 -2.190 1.00 0.00 ? 34 LEU B CA 32 ATOM 45258 C C . LEU B 1 34 ? -18.244 4.909 -1.057 1.00 0.00 ? 34 LEU B C 32 ATOM 45259 O O . LEU B 1 34 ? -19.327 5.348 -0.668 1.00 0.00 ? 34 LEU B O 32 ATOM 45260 C CB . LEU B 1 34 ? -18.275 2.474 -1.631 1.00 0.00 ? 34 LEU B CB 32 ATOM 45261 C CG . LEU B 1 34 ? -19.577 1.739 -1.957 1.00 0.00 ? 34 LEU B CG 32 ATOM 45262 C CD1 . LEU B 1 34 ? -20.781 2.616 -1.649 1.00 0.00 ? 34 LEU B CD1 32 ATOM 45263 C CD2 . LEU B 1 34 ? -19.591 1.301 -3.413 1.00 0.00 ? 34 LEU B CD2 32 ATOM 45264 H H . LEU B 1 34 ? -16.191 3.434 -2.785 1.00 0.00 ? 34 LEU B H 32 ATOM 45265 H HA . LEU B 1 34 ? -18.998 4.065 -2.865 1.00 0.00 ? 34 LEU B HA 32 ATOM 45266 H HB2 . LEU B 1 34 ? -17.451 1.896 -2.024 1.00 0.00 ? 34 LEU B HB2 32 ATOM 45267 H HB3 . LEU B 1 34 ? -18.176 2.526 -0.559 1.00 0.00 ? 34 LEU B HB3 32 ATOM 45268 H HG . LEU B 1 34 ? -19.648 0.854 -1.342 1.00 0.00 ? 34 LEU B HG 32 ATOM 45269 H HD11 . LEU B 1 34 ? -20.444 3.600 -1.358 1.00 0.00 ? 34 LEU B HD11 32 ATOM 45270 H HD12 . LEU B 1 34 ? -21.403 2.693 -2.528 1.00 0.00 ? 34 LEU B HD12 32 ATOM 45271 H HD13 . LEU B 1 34 ? -21.348 2.176 -0.843 1.00 0.00 ? 34 LEU B HD13 32 ATOM 45272 H HD21 . LEU B 1 34 ? -18.806 1.812 -3.951 1.00 0.00 ? 34 LEU B HD21 32 ATOM 45273 H HD22 . LEU B 1 34 ? -19.429 0.234 -3.468 1.00 0.00 ? 34 LEU B HD22 32 ATOM 45274 H HD23 . LEU B 1 34 ? -20.548 1.543 -3.853 1.00 0.00 ? 34 LEU B HD23 32 ATOM 45275 N N . LYS B 1 35 ? -17.081 5.281 -0.534 1.00 0.00 ? 35 LYS B N 32 ATOM 45276 C CA . LYS B 1 35 ? -17.007 6.252 0.551 1.00 0.00 ? 35 LYS B CA 32 ATOM 45277 C C . LYS B 1 35 ? -17.219 7.666 0.023 1.00 0.00 ? 35 LYS B C 32 ATOM 45278 O O . LYS B 1 35 ? -17.722 8.536 0.734 1.00 0.00 ? 35 LYS B O 32 ATOM 45279 C CB . LYS B 1 35 ? -15.656 6.155 1.261 1.00 0.00 ? 35 LYS B CB 32 ATOM 45280 C CG . LYS B 1 35 ? -15.493 7.152 2.396 1.00 0.00 ? 35 LYS B CG 32 ATOM 45281 C CD . LYS B 1 35 ? -14.175 7.901 2.294 1.00 0.00 ? 35 LYS B CD 32 ATOM 45282 C CE . LYS B 1 35 ? -12.989 6.958 2.409 1.00 0.00 ? 35 LYS B CE 32 ATOM 45283 N NZ . LYS B 1 35 ? -11.700 7.696 2.520 1.00 0.00 ? 35 LYS B NZ 32 ATOM 45284 H H . LYS B 1 35 ? -16.251 4.898 -0.889 1.00 0.00 ? 35 LYS B H 32 ATOM 45285 H HA . LYS B 1 35 ? -17.793 6.022 1.253 1.00 0.00 ? 35 LYS B HA 32 ATOM 45286 H HB2 . LYS B 1 35 ? -15.547 5.160 1.667 1.00 0.00 ? 35 LYS B HB2 32 ATOM 45287 H HB3 . LYS B 1 35 ? -14.870 6.329 0.542 1.00 0.00 ? 35 LYS B HB3 32 ATOM 45288 H HG2 . LYS B 1 35 ? -16.304 7.864 2.356 1.00 0.00 ? 35 LYS B HG2 32 ATOM 45289 H HG3 . LYS B 1 35 ? -15.524 6.622 3.337 1.00 0.00 ? 35 LYS B HG3 32 ATOM 45290 H HD2 . LYS B 1 35 ? -14.131 8.404 1.339 1.00 0.00 ? 35 LYS B HD2 32 ATOM 45291 H HD3 . LYS B 1 35 ? -14.123 8.630 3.090 1.00 0.00 ? 35 LYS B HD3 32 ATOM 45292 H HE2 . LYS B 1 35 ? -13.118 6.344 3.287 1.00 0.00 ? 35 LYS B HE2 32 ATOM 45293 H HE3 . LYS B 1 35 ? -12.959 6.329 1.532 1.00 0.00 ? 35 LYS B HE3 32 ATOM 45294 H HZ1 . LYS B 1 35 ? -11.678 8.480 1.837 1.00 0.00 ? 35 LYS B HZ1 32 ATOM 45295 H HZ2 . LYS B 1 35 ? -11.592 8.084 3.479 1.00 0.00 ? 35 LYS B HZ2 32 ATOM 45296 H HZ3 . LYS B 1 35 ? -10.904 7.057 2.324 1.00 0.00 ? 35 LYS B HZ3 32 ATOM 45297 N N . GLN B 1 36 ? -16.835 7.891 -1.231 1.00 0.00 ? 36 GLN B N 32 ATOM 45298 C CA . GLN B 1 36 ? -16.989 9.200 -1.852 1.00 0.00 ? 36 GLN B CA 32 ATOM 45299 C C . GLN B 1 36 ? -18.385 9.352 -2.444 1.00 0.00 ? 36 GLN B C 32 ATOM 45300 O O . GLN B 1 36 ? -18.915 10.458 -2.536 1.00 0.00 ? 36 GLN B O 32 ATOM 45301 C CB . GLN B 1 36 ? -15.933 9.402 -2.939 1.00 0.00 ? 36 GLN B CB 32 ATOM 45302 C CG . GLN B 1 36 ? -14.568 9.793 -2.397 1.00 0.00 ? 36 GLN B CG 32 ATOM 45303 C CD . GLN B 1 36 ? -13.541 9.998 -3.495 1.00 0.00 ? 36 GLN B CD 32 ATOM 45304 O OE1 . GLN B 1 36 ? -13.868 9.956 -4.680 1.00 0.00 ? 36 GLN B OE1 32 ATOM 45305 N NE2 . GLN B 1 36 ? -12.292 10.220 -3.102 1.00 0.00 ? 36 GLN B NE2 32 ATOM 45306 H H . GLN B 1 36 ? -16.443 7.157 -1.752 1.00 0.00 ? 36 GLN B H 32 ATOM 45307 H HA . GLN B 1 36 ? -16.855 9.948 -1.085 1.00 0.00 ? 36 GLN B HA 32 ATOM 45308 H HB2 . GLN B 1 36 ? -15.826 8.484 -3.496 1.00 0.00 ? 36 GLN B HB2 32 ATOM 45309 H HB3 . GLN B 1 36 ? -16.267 10.182 -3.608 1.00 0.00 ? 36 GLN B HB3 32 ATOM 45310 H HG2 . GLN B 1 36 ? -14.665 10.713 -1.840 1.00 0.00 ? 36 GLN B HG2 32 ATOM 45311 H HG3 . GLN B 1 36 ? -14.219 9.010 -1.739 1.00 0.00 ? 36 GLN B HG3 32 ATOM 45312 H HE21 . GLN B 1 36 ? -12.105 10.239 -2.140 1.00 0.00 ? 36 GLN B HE21 32 ATOM 45313 H HE22 . GLN B 1 36 ? -11.608 10.355 -3.791 1.00 0.00 ? 36 GLN B HE22 32 ATOM 45314 N N . SER B 1 37 ? -18.976 8.229 -2.839 1.00 0.00 ? 37 SER B N 32 ATOM 45315 C CA . SER B 1 37 ? -20.314 8.234 -3.416 1.00 0.00 ? 37 SER B CA 32 ATOM 45316 C C . SER B 1 37 ? -21.374 8.220 -2.319 1.00 0.00 ? 37 SER B C 32 ATOM 45317 O O . SER B 1 37 ? -22.501 8.669 -2.526 1.00 0.00 ? 37 SER B O 32 ATOM 45318 C CB . SER B 1 37 ? -20.500 7.026 -4.337 1.00 0.00 ? 37 SER B CB 32 ATOM 45319 O OG . SER B 1 37 ? -19.489 6.979 -5.328 1.00 0.00 ? 37 SER B OG 32 ATOM 45320 H H . SER B 1 37 ? -18.503 7.378 -2.734 1.00 0.00 ? 37 SER B H 32 ATOM 45321 H HA . SER B 1 37 ? -20.424 9.138 -3.996 1.00 0.00 ? 37 SER B HA 32 ATOM 45322 H HB2 . SER B 1 37 ? -20.455 6.119 -3.752 1.00 0.00 ? 37 SER B HB2 32 ATOM 45323 H HB3 . SER B 1 37 ? -21.462 7.092 -4.824 1.00 0.00 ? 37 SER B HB3 32 ATOM 45324 H HG . SER B 1 37 ? -19.465 6.103 -5.720 1.00 0.00 ? 37 SER B HG 32 ATOM 45325 N N . GLU B 1 38 ? -21.003 7.704 -1.151 1.00 0.00 ? 38 GLU B N 32 ATOM 45326 C CA . GLU B 1 38 ? -21.919 7.635 -0.020 1.00 0.00 ? 38 GLU B CA 32 ATOM 45327 C C . GLU B 1 38 ? -21.984 8.975 0.706 1.00 0.00 ? 38 GLU B C 32 ATOM 45328 O O . GLU B 1 38 ? -22.979 9.293 1.356 1.00 0.00 ? 38 GLU B O 32 ATOM 45329 C CB . GLU B 1 38 ? -21.485 6.535 0.949 1.00 0.00 ? 38 GLU B CB 32 ATOM 45330 C CG . GLU B 1 38 ? -22.507 6.244 2.037 1.00 0.00 ? 38 GLU B CG 32 ATOM 45331 C CD . GLU B 1 38 ? -22.255 4.922 2.734 1.00 0.00 ? 38 GLU B CD 32 ATOM 45332 O OE1 . GLU B 1 38 ? -21.075 4.595 2.979 1.00 0.00 ? 38 GLU B OE1 32 ATOM 45333 O OE2 . GLU B 1 38 ? -23.238 4.213 3.036 1.00 0.00 ? 38 GLU B OE2 32 ATOM 45334 H H . GLU B 1 38 ? -20.090 7.363 -1.046 1.00 0.00 ? 38 GLU B H 32 ATOM 45335 H HA . GLU B 1 38 ? -22.901 7.398 -0.404 1.00 0.00 ? 38 GLU B HA 32 ATOM 45336 H HB2 . GLU B 1 38 ? -21.316 5.626 0.392 1.00 0.00 ? 38 GLU B HB2 32 ATOM 45337 H HB3 . GLU B 1 38 ? -20.562 6.834 1.425 1.00 0.00 ? 38 GLU B HB3 32 ATOM 45338 H HG2 . GLU B 1 38 ? -22.467 7.034 2.771 1.00 0.00 ? 38 GLU B HG2 32 ATOM 45339 H HG3 . GLU B 1 38 ? -23.491 6.218 1.591 1.00 0.00 ? 38 GLU B HG3 32 ATOM 45340 N N . ASP B 1 39 ? -20.914 9.757 0.593 1.00 0.00 ? 39 ASP B N 32 ATOM 45341 C CA . ASP B 1 39 ? -20.850 11.062 1.240 1.00 0.00 ? 39 ASP B CA 32 ATOM 45342 C C . ASP B 1 39 ? -20.169 12.086 0.339 1.00 0.00 ? 39 ASP B C 32 ATOM 45343 O O . ASP B 1 39 ? -19.433 12.952 0.811 1.00 0.00 ? 39 ASP B O 32 ATOM 45344 C CB . ASP B 1 39 ? -20.101 10.958 2.570 1.00 0.00 ? 39 ASP B CB 32 ATOM 45345 C CG . ASP B 1 39 ? -20.562 9.778 3.403 1.00 0.00 ? 39 ASP B CG 32 ATOM 45346 O OD1 . ASP B 1 39 ? -21.788 9.554 3.489 1.00 0.00 ? 39 ASP B OD1 32 ATOM 45347 O OD2 . ASP B 1 39 ? -19.696 9.078 3.969 1.00 0.00 ? 39 ASP B OD2 32 ATOM 45348 H H . ASP B 1 39 ? -20.149 9.449 0.061 1.00 0.00 ? 39 ASP B H 32 ATOM 45349 H HA . ASP B 1 39 ? -21.862 11.386 1.432 1.00 0.00 ? 39 ASP B HA 32 ATOM 45350 H HB2 . ASP B 1 39 ? -19.046 10.846 2.374 1.00 0.00 ? 39 ASP B HB2 32 ATOM 45351 H HB3 . ASP B 1 39 ? -20.264 11.863 3.138 1.00 0.00 ? 39 ASP B HB3 32 ATOM 45352 N N . ASP B 1 40 ? -20.419 11.982 -0.963 1.00 0.00 ? 40 ASP B N 32 ATOM 45353 C CA . ASP B 1 40 ? -19.830 12.899 -1.930 1.00 0.00 ? 40 ASP B CA 32 ATOM 45354 C C . ASP B 1 40 ? -20.054 14.349 -1.512 1.00 0.00 ? 40 ASP B C 32 ATOM 45355 O O . ASP B 1 40 ? -21.091 14.687 -0.939 1.00 0.00 ? 40 ASP B O 32 ATOM 45356 C CB . ASP B 1 40 ? -20.423 12.660 -3.320 1.00 0.00 ? 40 ASP B CB 32 ATOM 45357 C CG . ASP B 1 40 ? -19.371 12.690 -4.411 1.00 0.00 ? 40 ASP B CG 32 ATOM 45358 O OD1 . ASP B 1 40 ? -18.400 13.464 -4.278 1.00 0.00 ? 40 ASP B OD1 32 ATOM 45359 O OD2 . ASP B 1 40 ? -19.518 11.941 -5.399 1.00 0.00 ? 40 ASP B OD2 32 ATOM 45360 H H . ASP B 1 40 ? -21.015 11.271 -1.280 1.00 0.00 ? 40 ASP B H 32 ATOM 45361 H HA . ASP B 1 40 ? -18.768 12.708 -1.965 1.00 0.00 ? 40 ASP B HA 32 ATOM 45362 H HB2 . ASP B 1 40 ? -20.905 11.694 -3.337 1.00 0.00 ? 40 ASP B HB2 32 ATOM 45363 H HB3 . ASP B 1 40 ? -21.155 13.426 -3.529 1.00 0.00 ? 40 ASP B HB3 32 ATOM 45364 N N . ASP B 1 41 ? -19.077 15.202 -1.802 1.00 0.00 ? 41 ASP B N 32 ATOM 45365 C CA . ASP B 1 41 ? -19.169 16.615 -1.456 1.00 0.00 ? 41 ASP B CA 32 ATOM 45366 C C . ASP B 1 41 ? -20.107 17.349 -2.409 1.00 0.00 ? 41 ASP B C 32 ATOM 45367 O O . ASP B 1 41 ? -20.020 17.103 -3.630 1.00 0.00 ? 41 ASP B O 32 ATOM 45368 C CB . ASP B 1 41 ? -17.782 17.261 -1.491 1.00 0.00 ? 41 ASP B CB 32 ATOM 45369 C CG . ASP B 1 41 ? -17.327 17.726 -0.121 1.00 0.00 ? 41 ASP B CG 32 ATOM 45370 O OD1 . ASP B 1 41 ? -17.567 16.996 0.864 1.00 0.00 ? 41 ASP B OD1 32 ATOM 45371 O OD2 . ASP B 1 41 ? -16.731 18.820 -0.033 1.00 0.00 ? 41 ASP B OD2 32 ATOM 45372 O OXT . ASP B 1 41 ? -20.921 18.163 -1.926 1.00 0.00 ? 41 ASP B OXT 32 ATOM 45373 H H . ASP B 1 41 ? -18.275 14.872 -2.260 1.00 0.00 ? 41 ASP B H 32 ATOM 45374 H HA . ASP B 1 41 ? -19.565 16.686 -0.455 1.00 0.00 ? 41 ASP B HA 32 ATOM 45375 H HB2 . ASP B 1 41 ? -17.066 16.543 -1.862 1.00 0.00 ? 41 ASP B HB2 32 ATOM 45376 H HB3 . ASP B 1 41 ? -17.806 18.115 -2.151 1.00 0.00 ? 41 ASP B HB3 32 ATOM 45377 N N . ALA A 1 1 ? -34.152 -9.895 0.720 1.00 0.00 ? 1 ALA A N 33 ATOM 45378 C CA . ALA A 1 1 ? -32.837 -9.422 0.216 1.00 0.00 ? 1 ALA A CA 33 ATOM 45379 C C . ALA A 1 1 ? -32.396 -8.156 0.944 1.00 0.00 ? 1 ALA A C 33 ATOM 45380 O O . ALA A 1 1 ? -32.808 -7.050 0.593 1.00 0.00 ? 1 ALA A O 33 ATOM 45381 C CB . ALA A 1 1 ? -32.906 -9.170 -1.283 1.00 0.00 ? 1 ALA A CB 33 ATOM 45382 H H1 . ALA A 1 1 ? -34.842 -9.129 0.576 1.00 0.00 ? 1 ALA A H1 33 ATOM 45383 H H2 . ALA A 1 1 ? -34.415 -10.740 0.173 1.00 0.00 ? 1 ALA A H2 33 ATOM 45384 H H3 . ALA A 1 1 ? -34.043 -10.119 1.730 1.00 0.00 ? 1 ALA A H3 33 ATOM 45385 H HA . ALA A 1 1 ? -32.107 -10.197 0.392 1.00 0.00 ? 1 ALA A HA 33 ATOM 45386 H HB1 . ALA A 1 1 ? -33.292 -10.049 -1.778 1.00 0.00 ? 1 ALA A HB1 33 ATOM 45387 H HB2 . ALA A 1 1 ? -31.916 -8.952 -1.657 1.00 0.00 ? 1 ALA A HB2 33 ATOM 45388 H HB3 . ALA A 1 1 ? -33.558 -8.332 -1.478 1.00 0.00 ? 1 ALA A HB3 33 ATOM 45389 N N . LEU A 1 2 ? -31.555 -8.327 1.959 1.00 0.00 ? 2 LEU A N 33 ATOM 45390 C CA . LEU A 1 2 ? -31.058 -7.198 2.737 1.00 0.00 ? 2 LEU A CA 33 ATOM 45391 C C . LEU A 1 2 ? -29.860 -6.550 2.051 1.00 0.00 ? 2 LEU A C 33 ATOM 45392 O O . LEU A 1 2 ? -29.133 -7.202 1.302 1.00 0.00 ? 2 LEU A O 33 ATOM 45393 C CB . LEU A 1 2 ? -30.669 -7.654 4.144 1.00 0.00 ? 2 LEU A CB 33 ATOM 45394 C CG . LEU A 1 2 ? -31.811 -8.240 4.975 1.00 0.00 ? 2 LEU A CG 33 ATOM 45395 C CD1 . LEU A 1 2 ? -32.282 -9.558 4.380 1.00 0.00 ? 2 LEU A CD1 33 ATOM 45396 C CD2 . LEU A 1 2 ? -31.375 -8.430 6.420 1.00 0.00 ? 2 LEU A CD2 33 ATOM 45397 H H . LEU A 1 2 ? -31.263 -9.233 2.190 1.00 0.00 ? 2 LEU A H 33 ATOM 45398 H HA . LEU A 1 2 ? -31.852 -6.471 2.811 1.00 0.00 ? 2 LEU A HA 33 ATOM 45399 H HB2 . LEU A 1 2 ? -29.894 -8.403 4.057 1.00 0.00 ? 2 LEU A HB2 33 ATOM 45400 H HB3 . LEU A 1 2 ? -30.265 -6.806 4.677 1.00 0.00 ? 2 LEU A HB3 33 ATOM 45401 H HG . LEU A 1 2 ? -32.645 -7.553 4.963 1.00 0.00 ? 2 LEU A HG 33 ATOM 45402 H HD11 . LEU A 1 2 ? -31.426 -10.144 4.081 1.00 0.00 ? 2 LEU A HD11 33 ATOM 45403 H HD12 . LEU A 1 2 ? -32.852 -10.103 5.119 1.00 0.00 ? 2 LEU A HD12 33 ATOM 45404 H HD13 . LEU A 1 2 ? -32.904 -9.363 3.519 1.00 0.00 ? 2 LEU A HD13 33 ATOM 45405 H HD21 . LEU A 1 2 ? -30.415 -8.922 6.445 1.00 0.00 ? 2 LEU A HD21 33 ATOM 45406 H HD22 . LEU A 1 2 ? -31.300 -7.468 6.903 1.00 0.00 ? 2 LEU A HD22 33 ATOM 45407 H HD23 . LEU A 1 2 ? -32.104 -9.036 6.939 1.00 0.00 ? 2 LEU A HD23 33 ATOM 45408 N N . LYS A 1 3 ? -29.661 -5.262 2.311 1.00 0.00 ? 3 LYS A N 33 ATOM 45409 C CA . LYS A 1 3 ? -28.550 -4.526 1.719 1.00 0.00 ? 3 LYS A CA 33 ATOM 45410 C C . LYS A 1 3 ? -27.448 -4.283 2.745 1.00 0.00 ? 3 LYS A C 33 ATOM 45411 O O . LYS A 1 3 ? -26.669 -3.337 2.623 1.00 0.00 ? 3 LYS A O 33 ATOM 45412 C CB . LYS A 1 3 ? -29.039 -3.191 1.154 1.00 0.00 ? 3 LYS A CB 33 ATOM 45413 C CG . LYS A 1 3 ? -29.305 -3.225 -0.342 1.00 0.00 ? 3 LYS A CG 33 ATOM 45414 C CD . LYS A 1 3 ? -30.695 -3.755 -0.649 1.00 0.00 ? 3 LYS A CD 33 ATOM 45415 C CE . LYS A 1 3 ? -30.649 -4.882 -1.669 1.00 0.00 ? 3 LYS A CE 33 ATOM 45416 N NZ . LYS A 1 3 ? -31.548 -4.619 -2.828 1.00 0.00 ? 3 LYS A NZ 33 ATOM 45417 H H . LYS A 1 3 ? -30.275 -4.795 2.917 1.00 0.00 ? 3 LYS A H 33 ATOM 45418 H HA . LYS A 1 3 ? -28.150 -5.122 0.914 1.00 0.00 ? 3 LYS A HA 33 ATOM 45419 H HB2 . LYS A 1 3 ? -29.956 -2.915 1.655 1.00 0.00 ? 3 LYS A HB2 33 ATOM 45420 H HB3 . LYS A 1 3 ? -28.292 -2.435 1.349 1.00 0.00 ? 3 LYS A HB3 33 ATOM 45421 H HG2 . LYS A 1 3 ? -29.217 -2.223 -0.736 1.00 0.00 ? 3 LYS A HG2 33 ATOM 45422 H HG3 . LYS A 1 3 ? -28.572 -3.864 -0.813 1.00 0.00 ? 3 LYS A HG3 33 ATOM 45423 H HD2 . LYS A 1 3 ? -31.137 -4.127 0.262 1.00 0.00 ? 3 LYS A HD2 33 ATOM 45424 H HD3 . LYS A 1 3 ? -31.298 -2.949 -1.042 1.00 0.00 ? 3 LYS A HD3 33 ATOM 45425 H HE2 . LYS A 1 3 ? -29.636 -4.983 -2.028 1.00 0.00 ? 3 LYS A HE2 33 ATOM 45426 H HE3 . LYS A 1 3 ? -30.953 -5.799 -1.187 1.00 0.00 ? 3 LYS A HE3 33 ATOM 45427 H HZ1 . LYS A 1 3 ? -31.498 -3.617 -3.099 1.00 0.00 ? 3 LYS A HZ1 33 ATOM 45428 H HZ2 . LYS A 1 3 ? -31.262 -5.201 -3.640 1.00 0.00 ? 3 LYS A HZ2 33 ATOM 45429 H HZ3 . LYS A 1 3 ? -32.530 -4.852 -2.576 1.00 0.00 ? 3 LYS A HZ3 33 ATOM 45430 N N . LYS A 1 4 ? -27.387 -5.143 3.757 1.00 0.00 ? 4 LYS A N 33 ATOM 45431 C CA . LYS A 1 4 ? -26.379 -5.022 4.803 1.00 0.00 ? 4 LYS A CA 33 ATOM 45432 C C . LYS A 1 4 ? -25.044 -5.595 4.339 1.00 0.00 ? 4 LYS A C 33 ATOM 45433 O O . LYS A 1 4 ? -23.982 -5.086 4.695 1.00 0.00 ? 4 LYS A O 33 ATOM 45434 C CB . LYS A 1 4 ? -26.842 -5.740 6.073 1.00 0.00 ? 4 LYS A CB 33 ATOM 45435 C CG . LYS A 1 4 ? -27.866 -4.956 6.876 1.00 0.00 ? 4 LYS A CG 33 ATOM 45436 C CD . LYS A 1 4 ? -27.590 -5.047 8.369 1.00 0.00 ? 4 LYS A CD 33 ATOM 45437 C CE . LYS A 1 4 ? -27.888 -6.438 8.906 1.00 0.00 ? 4 LYS A CE 33 ATOM 45438 N NZ . LYS A 1 4 ? -26.842 -6.901 9.857 1.00 0.00 ? 4 LYS A NZ 33 ATOM 45439 H H . LYS A 1 4 ? -28.035 -5.878 3.800 1.00 0.00 ? 4 LYS A H 33 ATOM 45440 H HA . LYS A 1 4 ? -26.251 -3.972 5.021 1.00 0.00 ? 4 LYS A HA 33 ATOM 45441 H HB2 . LYS A 1 4 ? -27.282 -6.688 5.796 1.00 0.00 ? 4 LYS A HB2 33 ATOM 45442 H HB3 . LYS A 1 4 ? -25.984 -5.923 6.702 1.00 0.00 ? 4 LYS A HB3 33 ATOM 45443 H HG2 . LYS A 1 4 ? -27.828 -3.920 6.576 1.00 0.00 ? 4 LYS A HG2 33 ATOM 45444 H HG3 . LYS A 1 4 ? -28.850 -5.355 6.675 1.00 0.00 ? 4 LYS A HG3 33 ATOM 45445 H HD2 . LYS A 1 4 ? -26.551 -4.818 8.547 1.00 0.00 ? 4 LYS A HD2 33 ATOM 45446 H HD3 . LYS A 1 4 ? -28.213 -4.330 8.884 1.00 0.00 ? 4 LYS A HD3 33 ATOM 45447 H HE2 . LYS A 1 4 ? -28.840 -6.417 9.415 1.00 0.00 ? 4 LYS A HE2 33 ATOM 45448 H HE3 . LYS A 1 4 ? -27.939 -7.127 8.076 1.00 0.00 ? 4 LYS A HE3 33 ATOM 45449 H HZ1 . LYS A 1 4 ? -26.574 -6.128 10.500 1.00 0.00 ? 4 LYS A HZ1 33 ATOM 45450 H HZ2 . LYS A 1 4 ? -27.199 -7.697 10.423 1.00 0.00 ? 4 LYS A HZ2 33 ATOM 45451 H HZ3 . LYS A 1 4 ? -25.997 -7.211 9.336 1.00 0.00 ? 4 LYS A HZ3 33 ATOM 45452 N N . HIS A 1 5 ? -25.108 -6.655 3.540 1.00 0.00 ? 5 HIS A N 33 ATOM 45453 C CA . HIS A 1 5 ? -23.904 -7.298 3.025 1.00 0.00 ? 5 HIS A CA 33 ATOM 45454 C C . HIS A 1 5 ? -23.046 -6.306 2.245 1.00 0.00 ? 5 HIS A C 33 ATOM 45455 O O . HIS A 1 5 ? -21.838 -6.493 2.102 1.00 0.00 ? 5 HIS A O 33 ATOM 45456 C CB . HIS A 1 5 ? -24.276 -8.481 2.129 1.00 0.00 ? 5 HIS A CB 33 ATOM 45457 C CG . HIS A 1 5 ? -24.973 -8.080 0.866 1.00 0.00 ? 5 HIS A CG 33 ATOM 45458 N ND1 . HIS A 1 5 ? -24.853 -8.782 -0.315 1.00 0.00 ? 5 HIS A ND1 33 ATOM 45459 C CD2 . HIS A 1 5 ? -25.802 -7.042 0.603 1.00 0.00 ? 5 HIS A CD2 33 ATOM 45460 C CE1 . HIS A 1 5 ? -25.578 -8.194 -1.250 1.00 0.00 ? 5 HIS A CE1 33 ATOM 45461 N NE2 . HIS A 1 5 ? -26.164 -7.137 -0.719 1.00 0.00 ? 5 HIS A NE2 33 ATOM 45462 H H . HIS A 1 5 ? -25.984 -7.014 3.290 1.00 0.00 ? 5 HIS A H 33 ATOM 45463 H HA . HIS A 1 5 ? -23.336 -7.661 3.867 1.00 0.00 ? 5 HIS A HA 33 ATOM 45464 H HB2 . HIS A 1 5 ? -23.378 -9.014 1.858 1.00 0.00 ? 5 HIS A HB2 33 ATOM 45465 H HB3 . HIS A 1 5 ? -24.931 -9.144 2.676 1.00 0.00 ? 5 HIS A HB3 33 ATOM 45466 H HD1 . HIS A 1 5 ? -24.317 -9.591 -0.449 1.00 0.00 ? 5 HIS A HD1 33 ATOM 45467 H HD2 . HIS A 1 5 ? -26.121 -6.282 1.301 1.00 0.00 ? 5 HIS A HD2 33 ATOM 45468 H HE1 . HIS A 1 5 ? -25.676 -8.522 -2.275 1.00 0.00 ? 5 HIS A HE1 33 ATOM 45469 H HE2 . HIS A 1 5 ? -26.760 -6.522 -1.193 1.00 0.00 ? 5 HIS A HE2 33 ATOM 45470 N N . HIS A 1 6 ? -23.678 -5.250 1.740 1.00 0.00 ? 6 HIS A N 33 ATOM 45471 C CA . HIS A 1 6 ? -22.971 -4.229 0.974 1.00 0.00 ? 6 HIS A CA 33 ATOM 45472 C C . HIS A 1 6 ? -21.999 -3.459 1.859 1.00 0.00 ? 6 HIS A C 33 ATOM 45473 O O . HIS A 1 6 ? -20.810 -3.373 1.558 1.00 0.00 ? 6 HIS A O 33 ATOM 45474 C CB . HIS A 1 6 ? -23.968 -3.263 0.331 1.00 0.00 ? 6 HIS A CB 33 ATOM 45475 C CG . HIS A 1 6 ? -24.100 -3.436 -1.150 1.00 0.00 ? 6 HIS A CG 33 ATOM 45476 N ND1 . HIS A 1 6 ? -24.134 -4.672 -1.764 1.00 0.00 ? 6 HIS A ND1 33 ATOM 45477 C CD2 . HIS A 1 6 ? -24.209 -2.522 -2.144 1.00 0.00 ? 6 HIS A CD2 33 ATOM 45478 C CE1 . HIS A 1 6 ? -24.258 -4.510 -3.069 1.00 0.00 ? 6 HIS A CE1 33 ATOM 45479 N NE2 . HIS A 1 6 ? -24.306 -3.216 -3.325 1.00 0.00 ? 6 HIS A NE2 33 ATOM 45480 H H . HIS A 1 6 ? -24.642 -5.154 1.885 1.00 0.00 ? 6 HIS A H 33 ATOM 45481 H HA . HIS A 1 6 ? -22.412 -4.727 0.196 1.00 0.00 ? 6 HIS A HA 33 ATOM 45482 H HB2 . HIS A 1 6 ? -24.942 -3.415 0.771 1.00 0.00 ? 6 HIS A HB2 33 ATOM 45483 H HB3 . HIS A 1 6 ? -23.647 -2.249 0.520 1.00 0.00 ? 6 HIS A HB3 33 ATOM 45484 H HD1 . HIS A 1 6 ? -24.076 -5.538 -1.309 1.00 0.00 ? 6 HIS A HD1 33 ATOM 45485 H HD2 . HIS A 1 6 ? -24.219 -1.448 -2.028 1.00 0.00 ? 6 HIS A HD2 33 ATOM 45486 H HE1 . HIS A 1 6 ? -24.312 -5.301 -3.802 1.00 0.00 ? 6 HIS A HE1 33 ATOM 45487 H HE2 . HIS A 1 6 ? -24.397 -2.817 -4.215 1.00 0.00 ? 6 HIS A HE2 33 ATOM 45488 N N . GLU A 1 7 ? -22.511 -2.900 2.950 1.00 0.00 ? 7 GLU A N 33 ATOM 45489 C CA . GLU A 1 7 ? -21.681 -2.136 3.875 1.00 0.00 ? 7 GLU A CA 33 ATOM 45490 C C . GLU A 1 7 ? -20.567 -3.005 4.450 1.00 0.00 ? 7 GLU A C 33 ATOM 45491 O O . GLU A 1 7 ? -19.517 -2.503 4.850 1.00 0.00 ? 7 GLU A O 33 ATOM 45492 C CB . GLU A 1 7 ? -22.533 -1.563 5.008 1.00 0.00 ? 7 GLU A CB 33 ATOM 45493 C CG . GLU A 1 7 ? -22.205 -0.118 5.344 1.00 0.00 ? 7 GLU A CG 33 ATOM 45494 C CD . GLU A 1 7 ? -21.388 0.014 6.615 1.00 0.00 ? 7 GLU A CD 33 ATOM 45495 O OE1 . GLU A 1 7 ? -20.237 -0.473 6.634 1.00 0.00 ? 7 GLU A OE1 33 ATOM 45496 O OE2 . GLU A 1 7 ? -21.897 0.603 7.591 1.00 0.00 ? 7 GLU A OE2 33 ATOM 45497 H H . GLU A 1 7 ? -23.467 -3.002 3.137 1.00 0.00 ? 7 GLU A H 33 ATOM 45498 H HA . GLU A 1 7 ? -21.234 -1.322 3.323 1.00 0.00 ? 7 GLU A HA 33 ATOM 45499 H HB2 . GLU A 1 7 ? -23.574 -1.616 4.722 1.00 0.00 ? 7 GLU A HB2 33 ATOM 45500 H HB3 . GLU A 1 7 ? -22.382 -2.160 5.895 1.00 0.00 ? 7 GLU A HB3 33 ATOM 45501 H HG2 . GLU A 1 7 ? -21.644 0.310 4.528 1.00 0.00 ? 7 GLU A HG2 33 ATOM 45502 H HG3 . GLU A 1 7 ? -23.130 0.427 5.470 1.00 0.00 ? 7 GLU A HG3 33 ATOM 45503 N N . ASN A 1 8 ? -20.800 -4.313 4.482 1.00 0.00 ? 8 ASN A N 33 ATOM 45504 C CA . ASN A 1 8 ? -19.814 -5.250 5.002 1.00 0.00 ? 8 ASN A CA 33 ATOM 45505 C C . ASN A 1 8 ? -18.635 -5.374 4.043 1.00 0.00 ? 8 ASN A C 33 ATOM 45506 O O . ASN A 1 8 ? -17.475 -5.306 4.453 1.00 0.00 ? 8 ASN A O 33 ATOM 45507 C CB . ASN A 1 8 ? -20.451 -6.622 5.229 1.00 0.00 ? 8 ASN A CB 33 ATOM 45508 C CG . ASN A 1 8 ? -20.308 -7.097 6.662 1.00 0.00 ? 8 ASN A CG 33 ATOM 45509 O OD1 . ASN A 1 8 ? -19.235 -6.997 7.256 1.00 0.00 ? 8 ASN A OD1 33 ATOM 45510 N ND2 . ASN A 1 8 ? -21.392 -7.618 7.223 1.00 0.00 ? 8 ASN A ND2 33 ATOM 45511 H H . ASN A 1 8 ? -21.655 -4.654 4.145 1.00 0.00 ? 8 ASN A H 33 ATOM 45512 H HA . ASN A 1 8 ? -19.457 -4.868 5.946 1.00 0.00 ? 8 ASN A HA 33 ATOM 45513 H HB2 . ASN A 1 8 ? -21.502 -6.568 4.990 1.00 0.00 ? 8 ASN A HB2 33 ATOM 45514 H HB3 . ASN A 1 8 ? -19.976 -7.345 4.580 1.00 0.00 ? 8 ASN A HB3 33 ATOM 45515 H HD21 . ASN A 1 8 ? -22.213 -7.666 6.689 1.00 0.00 ? 8 ASN A HD21 33 ATOM 45516 H HD22 . ASN A 1 8 ? -21.329 -7.932 8.149 1.00 0.00 ? 8 ASN A HD22 33 ATOM 45517 N N . GLU A 1 9 ? -18.941 -5.552 2.761 1.00 0.00 ? 9 GLU A N 33 ATOM 45518 C CA . GLU A 1 9 ? -17.907 -5.679 1.745 1.00 0.00 ? 9 GLU A CA 33 ATOM 45519 C C . GLU A 1 9 ? -17.046 -4.426 1.693 1.00 0.00 ? 9 GLU A C 33 ATOM 45520 O O . GLU A 1 9 ? -15.823 -4.508 1.582 1.00 0.00 ? 9 GLU A O 33 ATOM 45521 C CB . GLU A 1 9 ? -18.534 -5.943 0.374 1.00 0.00 ? 9 GLU A CB 33 ATOM 45522 C CG . GLU A 1 9 ? -17.592 -6.626 -0.604 1.00 0.00 ? 9 GLU A CG 33 ATOM 45523 C CD . GLU A 1 9 ? -17.495 -8.121 -0.374 1.00 0.00 ? 9 GLU A CD 33 ATOM 45524 O OE1 . GLU A 1 9 ? -18.454 -8.840 -0.724 1.00 0.00 ? 9 GLU A OE1 33 ATOM 45525 O OE2 . GLU A 1 9 ? -16.459 -8.574 0.157 1.00 0.00 ? 9 GLU A OE2 33 ATOM 45526 H H . GLU A 1 9 ? -19.884 -5.593 2.494 1.00 0.00 ? 9 GLU A H 33 ATOM 45527 H HA . GLU A 1 9 ? -17.279 -6.515 2.013 1.00 0.00 ? 9 GLU A HA 33 ATOM 45528 H HB2 . GLU A 1 9 ? -19.401 -6.573 0.503 1.00 0.00 ? 9 GLU A HB2 33 ATOM 45529 H HB3 . GLU A 1 9 ? -18.844 -5.002 -0.055 1.00 0.00 ? 9 GLU A HB3 33 ATOM 45530 H HG2 . GLU A 1 9 ? -17.951 -6.455 -1.608 1.00 0.00 ? 9 GLU A HG2 33 ATOM 45531 H HG3 . GLU A 1 9 ? -16.608 -6.195 -0.497 1.00 0.00 ? 9 GLU A HG3 33 ATOM 45532 N N . ILE A 1 10 ? -17.686 -3.265 1.782 1.00 0.00 ? 10 ILE A N 33 ATOM 45533 C CA . ILE A 1 10 ? -16.959 -2.010 1.753 1.00 0.00 ? 10 ILE A CA 33 ATOM 45534 C C . ILE A 1 10 ? -16.171 -1.819 3.042 1.00 0.00 ? 10 ILE A C 33 ATOM 45535 O O . ILE A 1 10 ? -15.162 -1.127 3.065 1.00 0.00 ? 10 ILE A O 33 ATOM 45536 C CB . ILE A 1 10 ? -17.893 -0.804 1.509 1.00 0.00 ? 10 ILE A CB 33 ATOM 45537 C CG1 . ILE A 1 10 ? -18.697 -0.446 2.759 1.00 0.00 ? 10 ILE A CG1 33 ATOM 45538 C CG2 . ILE A 1 10 ? -18.835 -1.102 0.356 1.00 0.00 ? 10 ILE A CG2 33 ATOM 45539 C CD1 . ILE A 1 10 ? -19.609 0.743 2.552 1.00 0.00 ? 10 ILE A CD1 33 ATOM 45540 H H . ILE A 1 10 ? -18.661 -3.256 1.876 1.00 0.00 ? 10 ILE A H 33 ATOM 45541 H HA . ILE A 1 10 ? -16.259 -2.060 0.931 1.00 0.00 ? 10 ILE A HA 33 ATOM 45542 H HB . ILE A 1 10 ? -17.283 0.041 1.228 1.00 0.00 ? 10 ILE A HB 33 ATOM 45543 H HG12 . ILE A 1 10 ? -19.308 -1.289 3.043 1.00 0.00 ? 10 ILE A HG12 33 ATOM 45544 H HG13 . ILE A 1 10 ? -18.017 -0.210 3.565 1.00 0.00 ? 10 ILE A HG13 33 ATOM 45545 H HG21 . ILE A 1 10 ? -18.260 -1.307 -0.534 1.00 0.00 ? 10 ILE A HG21 33 ATOM 45546 H HG22 . ILE A 1 10 ? -19.442 -1.962 0.599 1.00 0.00 ? 10 ILE A HG22 33 ATOM 45547 H HG23 . ILE A 1 10 ? -19.473 -0.247 0.187 1.00 0.00 ? 10 ILE A HG23 33 ATOM 45548 H HD11 . ILE A 1 10 ? -19.452 1.146 1.559 1.00 0.00 ? 10 ILE A HD11 33 ATOM 45549 H HD12 . ILE A 1 10 ? -20.636 0.431 2.656 1.00 0.00 ? 10 ILE A HD12 33 ATOM 45550 H HD13 . ILE A 1 10 ? -19.385 1.500 3.288 1.00 0.00 ? 10 ILE A HD13 33 ATOM 45551 N N . SER A 1 11 ? -16.622 -2.457 4.113 1.00 0.00 ? 11 SER A N 33 ATOM 45552 C CA . SER A 1 11 ? -15.927 -2.362 5.387 1.00 0.00 ? 11 SER A CA 33 ATOM 45553 C C . SER A 1 11 ? -14.547 -2.996 5.269 1.00 0.00 ? 11 SER A C 33 ATOM 45554 O O . SER A 1 11 ? -13.556 -2.471 5.789 1.00 0.00 ? 11 SER A O 33 ATOM 45555 C CB . SER A 1 11 ? -16.732 -3.049 6.491 1.00 0.00 ? 11 SER A CB 33 ATOM 45556 O OG . SER A 1 11 ? -16.433 -2.497 7.761 1.00 0.00 ? 11 SER A OG 33 ATOM 45557 H H . SER A 1 11 ? -17.425 -3.015 4.041 1.00 0.00 ? 11 SER A H 33 ATOM 45558 H HA . SER A 1 11 ? -15.813 -1.315 5.627 1.00 0.00 ? 11 SER A HA 33 ATOM 45559 H HB2 . SER A 1 11 ? -17.787 -2.922 6.298 1.00 0.00 ? 11 SER A HB2 33 ATOM 45560 H HB3 . SER A 1 11 ? -16.494 -4.102 6.506 1.00 0.00 ? 11 SER A HB3 33 ATOM 45561 H HG . SER A 1 11 ? -17.239 -2.170 8.168 1.00 0.00 ? 11 SER A HG 33 ATOM 45562 N N . HIS A 1 12 ? -14.485 -4.124 4.567 1.00 0.00 ? 12 HIS A N 33 ATOM 45563 C CA . HIS A 1 12 ? -13.229 -4.825 4.366 1.00 0.00 ? 12 HIS A CA 33 ATOM 45564 C C . HIS A 1 12 ? -12.343 -4.050 3.387 1.00 0.00 ? 12 HIS A C 33 ATOM 45565 O O . HIS A 1 12 ? -11.119 -4.047 3.517 1.00 0.00 ? 12 HIS A O 33 ATOM 45566 C CB . HIS A 1 12 ? -13.514 -6.272 3.898 1.00 0.00 ? 12 HIS A CB 33 ATOM 45567 C CG . HIS A 1 12 ? -12.652 -6.778 2.777 1.00 0.00 ? 12 HIS A CG 33 ATOM 45568 N ND1 . HIS A 1 12 ? -11.440 -7.406 2.976 1.00 0.00 ? 12 HIS A ND1 33 ATOM 45569 C CD2 . HIS A 1 12 ? -12.841 -6.745 1.440 1.00 0.00 ? 12 HIS A CD2 33 ATOM 45570 C CE1 . HIS A 1 12 ? -10.920 -7.736 1.807 1.00 0.00 ? 12 HIS A CE1 33 ATOM 45571 N NE2 . HIS A 1 12 ? -11.752 -7.346 0.859 1.00 0.00 ? 12 HIS A NE2 33 ATOM 45572 H H . HIS A 1 12 ? -15.307 -4.488 4.164 1.00 0.00 ? 12 HIS A H 33 ATOM 45573 H HA . HIS A 1 12 ? -12.725 -4.863 5.321 1.00 0.00 ? 12 HIS A HA 33 ATOM 45574 H HB2 . HIS A 1 12 ? -13.376 -6.939 4.735 1.00 0.00 ? 12 HIS A HB2 33 ATOM 45575 H HB3 . HIS A 1 12 ? -14.543 -6.332 3.574 1.00 0.00 ? 12 HIS A HB3 33 ATOM 45576 H HD1 . HIS A 1 12 ? -11.022 -7.582 3.845 1.00 0.00 ? 12 HIS A HD1 33 ATOM 45577 H HD2 . HIS A 1 12 ? -13.693 -6.320 0.927 1.00 0.00 ? 12 HIS A HD2 33 ATOM 45578 H HE1 . HIS A 1 12 ? -9.978 -8.240 1.653 1.00 0.00 ? 12 HIS A HE1 33 ATOM 45579 H HE2 . HIS A 1 12 ? -11.613 -7.468 -0.104 1.00 0.00 ? 12 HIS A HE2 33 ATOM 45580 N N . HIS A 1 13 ? -12.965 -3.382 2.415 1.00 0.00 ? 13 HIS A N 33 ATOM 45581 C CA . HIS A 1 13 ? -12.213 -2.601 1.439 1.00 0.00 ? 13 HIS A CA 33 ATOM 45582 C C . HIS A 1 13 ? -11.565 -1.398 2.103 1.00 0.00 ? 13 HIS A C 33 ATOM 45583 O O . HIS A 1 13 ? -10.514 -0.941 1.672 1.00 0.00 ? 13 HIS A O 33 ATOM 45584 C CB . HIS A 1 13 ? -13.108 -2.107 0.308 1.00 0.00 ? 13 HIS A CB 33 ATOM 45585 C CG . HIS A 1 13 ? -13.923 -3.170 -0.345 1.00 0.00 ? 13 HIS A CG 33 ATOM 45586 N ND1 . HIS A 1 13 ? -13.531 -4.488 -0.439 1.00 0.00 ? 13 HIS A ND1 33 ATOM 45587 C CD2 . HIS A 1 13 ? -15.124 -3.090 -0.951 1.00 0.00 ? 13 HIS A CD2 33 ATOM 45588 C CE1 . HIS A 1 13 ? -14.461 -5.176 -1.078 1.00 0.00 ? 13 HIS A CE1 33 ATOM 45589 N NE2 . HIS A 1 13 ? -15.440 -4.348 -1.399 1.00 0.00 ? 13 HIS A NE2 33 ATOM 45590 H H . HIS A 1 13 ? -13.945 -3.409 2.358 1.00 0.00 ? 13 HIS A H 33 ATOM 45591 H HA . HIS A 1 13 ? -11.441 -3.235 1.029 1.00 0.00 ? 13 HIS A HA 33 ATOM 45592 H HB2 . HIS A 1 13 ? -13.789 -1.370 0.699 1.00 0.00 ? 13 HIS A HB2 33 ATOM 45593 H HB3 . HIS A 1 13 ? -12.492 -1.649 -0.452 1.00 0.00 ? 13 HIS A HB3 33 ATOM 45594 H HD1 . HIS A 1 13 ? -12.695 -4.863 -0.093 1.00 0.00 ? 13 HIS A HD1 33 ATOM 45595 H HD2 . HIS A 1 13 ? -15.718 -2.195 -1.060 1.00 0.00 ? 13 HIS A HD2 33 ATOM 45596 H HE1 . HIS A 1 13 ? -14.428 -6.233 -1.300 1.00 0.00 ? 13 HIS A HE1 33 ATOM 45597 H HE2 . HIS A 1 13 ? -16.258 -4.596 -1.880 1.00 0.00 ? 13 HIS A HE2 33 ATOM 45598 N N . ALA A 1 14 ? -12.204 -0.882 3.148 1.00 0.00 ? 14 ALA A N 33 ATOM 45599 C CA . ALA A 1 14 ? -11.679 0.274 3.859 1.00 0.00 ? 14 ALA A CA 33 ATOM 45600 C C . ALA A 1 14 ? -10.419 -0.103 4.618 1.00 0.00 ? 14 ALA A C 33 ATOM 45601 O O . ALA A 1 14 ? -9.373 0.522 4.453 1.00 0.00 ? 14 ALA A O 33 ATOM 45602 C CB . ALA A 1 14 ? -12.727 0.839 4.807 1.00 0.00 ? 14 ALA A CB 33 ATOM 45603 H H . ALA A 1 14 ? -13.043 -1.288 3.445 1.00 0.00 ? 14 ALA A H 33 ATOM 45604 H HA . ALA A 1 14 ? -11.432 1.034 3.129 1.00 0.00 ? 14 ALA A HA 33 ATOM 45605 H HB1 . ALA A 1 14 ? -13.028 0.075 5.508 1.00 0.00 ? 14 ALA A HB1 33 ATOM 45606 H HB2 . ALA A 1 14 ? -12.310 1.678 5.345 1.00 0.00 ? 14 ALA A HB2 33 ATOM 45607 H HB3 . ALA A 1 14 ? -13.586 1.166 4.239 1.00 0.00 ? 14 ALA A HB3 33 ATOM 45608 N N . LYS A 1 15 ? -10.516 -1.145 5.435 1.00 0.00 ? 15 LYS A N 33 ATOM 45609 C CA . LYS A 1 15 ? -9.364 -1.608 6.191 1.00 0.00 ? 15 LYS A CA 33 ATOM 45610 C C . LYS A 1 15 ? -8.275 -2.099 5.240 1.00 0.00 ? 15 LYS A C 33 ATOM 45611 O O . LYS A 1 15 ? -7.098 -2.155 5.601 1.00 0.00 ? 15 LYS A O 33 ATOM 45612 C CB . LYS A 1 15 ? -9.767 -2.728 7.153 1.00 0.00 ? 15 LYS A CB 33 ATOM 45613 C CG . LYS A 1 15 ? -9.654 -2.342 8.618 1.00 0.00 ? 15 LYS A CG 33 ATOM 45614 C CD . LYS A 1 15 ? -10.574 -3.182 9.489 1.00 0.00 ? 15 LYS A CD 33 ATOM 45615 C CE . LYS A 1 15 ? -11.483 -2.312 10.341 1.00 0.00 ? 15 LYS A CE 33 ATOM 45616 N NZ . LYS A 1 15 ? -10.709 -1.454 11.280 1.00 0.00 ? 15 LYS A NZ 33 ATOM 45617 H H . LYS A 1 15 ? -11.374 -1.620 5.517 1.00 0.00 ? 15 LYS A H 33 ATOM 45618 H HA . LYS A 1 15 ? -8.980 -0.773 6.757 1.00 0.00 ? 15 LYS A HA 33 ATOM 45619 H HB2 . LYS A 1 15 ? -10.792 -3.005 6.954 1.00 0.00 ? 15 LYS A HB2 33 ATOM 45620 H HB3 . LYS A 1 15 ? -9.133 -3.583 6.977 1.00 0.00 ? 15 LYS A HB3 33 ATOM 45621 H HG2 . LYS A 1 15 ? -8.634 -2.491 8.941 1.00 0.00 ? 15 LYS A HG2 33 ATOM 45622 H HG3 . LYS A 1 15 ? -9.921 -1.301 8.728 1.00 0.00 ? 15 LYS A HG3 33 ATOM 45623 H HD2 . LYS A 1 15 ? -11.184 -3.806 8.852 1.00 0.00 ? 15 LYS A HD2 33 ATOM 45624 H HD3 . LYS A 1 15 ? -9.973 -3.802 10.137 1.00 0.00 ? 15 LYS A HD3 33 ATOM 45625 H HE2 . LYS A 1 15 ? -12.068 -1.679 9.690 1.00 0.00 ? 15 LYS A HE2 33 ATOM 45626 H HE3 . LYS A 1 15 ? -12.143 -2.951 10.910 1.00 0.00 ? 15 LYS A HE3 33 ATOM 45627 H HZ1 . LYS A 1 15 ? -9.700 -1.470 11.031 1.00 0.00 ? 15 LYS A HZ1 33 ATOM 45628 H HZ2 . LYS A 1 15 ? -11.051 -0.472 11.232 1.00 0.00 ? 15 LYS A HZ2 33 ATOM 45629 H HZ3 . LYS A 1 15 ? -10.820 -1.802 12.255 1.00 0.00 ? 15 LYS A HZ3 33 ATOM 45630 N N . GLU A 1 16 ? -8.675 -2.448 4.018 1.00 0.00 ? 16 GLU A N 33 ATOM 45631 C CA . GLU A 1 16 ? -7.739 -2.928 3.012 1.00 0.00 ? 16 GLU A CA 33 ATOM 45632 C C . GLU A 1 16 ? -6.910 -1.781 2.442 1.00 0.00 ? 16 GLU A C 33 ATOM 45633 O O . GLU A 1 16 ? -5.702 -1.920 2.251 1.00 0.00 ? 16 GLU A O 33 ATOM 45634 C CB . GLU A 1 16 ? -8.491 -3.637 1.884 1.00 0.00 ? 16 GLU A CB 33 ATOM 45635 C CG . GLU A 1 16 ? -8.630 -5.137 2.094 1.00 0.00 ? 16 GLU A CG 33 ATOM 45636 C CD . GLU A 1 16 ? -7.301 -5.862 2.023 1.00 0.00 ? 16 GLU A CD 33 ATOM 45637 O OE1 . GLU A 1 16 ? -6.474 -5.677 2.941 1.00 0.00 ? 16 GLU A OE1 33 ATOM 45638 O OE2 . GLU A 1 16 ? -7.086 -6.613 1.050 1.00 0.00 ? 16 GLU A OE2 33 ATOM 45639 H H . GLU A 1 16 ? -9.624 -2.380 3.786 1.00 0.00 ? 16 GLU A H 33 ATOM 45640 H HA . GLU A 1 16 ? -7.076 -3.634 3.488 1.00 0.00 ? 16 GLU A HA 33 ATOM 45641 H HB2 . GLU A 1 16 ? -9.481 -3.214 1.804 1.00 0.00 ? 16 GLU A HB2 33 ATOM 45642 H HB3 . GLU A 1 16 ? -7.963 -3.474 0.957 1.00 0.00 ? 16 GLU A HB3 33 ATOM 45643 H HG2 . GLU A 1 16 ? -9.066 -5.312 3.067 1.00 0.00 ? 16 GLU A HG2 33 ATOM 45644 H HG3 . GLU A 1 16 ? -9.283 -5.534 1.332 1.00 0.00 ? 16 GLU A HG3 33 ATOM 45645 N N . ILE A 1 17 ? -7.557 -0.648 2.171 1.00 0.00 ? 17 ILE A N 33 ATOM 45646 C CA . ILE A 1 17 ? -6.853 0.504 1.624 1.00 0.00 ? 17 ILE A CA 33 ATOM 45647 C C . ILE A 1 17 ? -5.886 1.083 2.659 1.00 0.00 ? 17 ILE A C 33 ATOM 45648 O O . ILE A 1 17 ? -4.759 1.454 2.333 1.00 0.00 ? 17 ILE A O 33 ATOM 45649 C CB . ILE A 1 17 ? -7.842 1.593 1.110 1.00 0.00 ? 17 ILE A CB 33 ATOM 45650 C CG1 . ILE A 1 17 ? -8.283 2.550 2.228 1.00 0.00 ? 17 ILE A CG1 33 ATOM 45651 C CG2 . ILE A 1 17 ? -9.063 0.944 0.476 1.00 0.00 ? 17 ILE A CG2 33 ATOM 45652 C CD1 . ILE A 1 17 ? -7.280 3.647 2.514 1.00 0.00 ? 17 ILE A CD1 33 ATOM 45653 H H . ILE A 1 17 ? -8.524 -0.585 2.340 1.00 0.00 ? 17 ILE A H 33 ATOM 45654 H HA . ILE A 1 17 ? -6.273 0.159 0.778 1.00 0.00 ? 17 ILE A HA 33 ATOM 45655 H HB . ILE A 1 17 ? -7.342 2.157 0.338 1.00 0.00 ? 17 ILE A HB 33 ATOM 45656 H HG12 . ILE A 1 17 ? -9.213 3.019 1.945 1.00 0.00 ? 17 ILE A HG12 33 ATOM 45657 H HG13 . ILE A 1 17 ? -8.431 1.988 3.137 1.00 0.00 ? 17 ILE A HG13 33 ATOM 45658 H HG21 . ILE A 1 17 ? -8.923 -0.124 0.431 1.00 0.00 ? 17 ILE A HG21 33 ATOM 45659 H HG22 . ILE A 1 17 ? -9.937 1.167 1.070 1.00 0.00 ? 17 ILE A HG22 33 ATOM 45660 H HG23 . ILE A 1 17 ? -9.198 1.333 -0.522 1.00 0.00 ? 17 ILE A HG23 33 ATOM 45661 H HD11 . ILE A 1 17 ? -6.664 3.809 1.643 1.00 0.00 ? 17 ILE A HD11 33 ATOM 45662 H HD12 . ILE A 1 17 ? -7.805 4.559 2.759 1.00 0.00 ? 17 ILE A HD12 33 ATOM 45663 H HD13 . ILE A 1 17 ? -6.656 3.356 3.346 1.00 0.00 ? 17 ILE A HD13 33 ATOM 45664 N N . GLU A 1 18 ? -6.333 1.140 3.911 1.00 0.00 ? 18 GLU A N 33 ATOM 45665 C CA . GLU A 1 18 ? -5.506 1.662 4.992 1.00 0.00 ? 18 GLU A CA 33 ATOM 45666 C C . GLU A 1 18 ? -4.367 0.701 5.314 1.00 0.00 ? 18 GLU A C 33 ATOM 45667 O O . GLU A 1 18 ? -3.313 1.111 5.802 1.00 0.00 ? 18 GLU A O 33 ATOM 45668 C CB . GLU A 1 18 ? -6.354 1.903 6.242 1.00 0.00 ? 18 GLU A CB 33 ATOM 45669 C CG . GLU A 1 18 ? -6.628 3.372 6.517 1.00 0.00 ? 18 GLU A CG 33 ATOM 45670 C CD . GLU A 1 18 ? -7.087 3.622 7.940 1.00 0.00 ? 18 GLU A CD 33 ATOM 45671 O OE1 . GLU A 1 18 ? -7.879 2.809 8.461 1.00 0.00 ? 18 GLU A OE1 33 ATOM 45672 O OE2 . GLU A 1 18 ? -6.655 4.633 8.534 1.00 0.00 ? 18 GLU A OE2 33 ATOM 45673 H H . GLU A 1 18 ? -7.236 0.817 4.115 1.00 0.00 ? 18 GLU A H 33 ATOM 45674 H HA . GLU A 1 18 ? -5.086 2.602 4.665 1.00 0.00 ? 18 GLU A HA 33 ATOM 45675 H HB2 . GLU A 1 18 ? -7.301 1.399 6.122 1.00 0.00 ? 18 GLU A HB2 33 ATOM 45676 H HB3 . GLU A 1 18 ? -5.841 1.488 7.097 1.00 0.00 ? 18 GLU A HB3 33 ATOM 45677 H HG2 . GLU A 1 18 ? -5.721 3.934 6.345 1.00 0.00 ? 18 GLU A HG2 33 ATOM 45678 H HG3 . GLU A 1 18 ? -7.397 3.716 5.841 1.00 0.00 ? 18 GLU A HG3 33 ATOM 45679 N N . ARG A 1 19 ? -4.586 -0.580 5.038 1.00 0.00 ? 19 ARG A N 33 ATOM 45680 C CA . ARG A 1 19 ? -3.578 -1.601 5.299 1.00 0.00 ? 19 ARG A CA 33 ATOM 45681 C C . ARG A 1 19 ? -2.470 -1.556 4.252 1.00 0.00 ? 19 ARG A C 33 ATOM 45682 O O . ARG A 1 19 ? -1.303 -1.801 4.561 1.00 0.00 ? 19 ARG A O 33 ATOM 45683 C CB . ARG A 1 19 ? -4.221 -2.989 5.320 1.00 0.00 ? 19 ARG A CB 33 ATOM 45684 C CG . ARG A 1 19 ? -4.606 -3.460 6.713 1.00 0.00 ? 19 ARG A CG 33 ATOM 45685 C CD . ARG A 1 19 ? -5.208 -4.856 6.683 1.00 0.00 ? 19 ARG A CD 33 ATOM 45686 N NE . ARG A 1 19 ? -4.182 -5.895 6.694 1.00 0.00 ? 19 ARG A NE 33 ATOM 45687 C CZ . ARG A 1 19 ? -3.364 -6.110 7.720 1.00 0.00 ? 19 ARG A CZ 33 ATOM 45688 N NH1 . ARG A 1 19 ? -3.453 -5.360 8.810 1.00 0.00 ? 19 ARG A NH1 33 ATOM 45689 N NH2 . ARG A 1 19 ? -2.457 -7.075 7.656 1.00 0.00 ? 19 ARG A NH2 33 ATOM 45690 H H . ARG A 1 19 ? -5.446 -0.847 4.651 1.00 0.00 ? 19 ARG A H 33 ATOM 45691 H HA . ARG A 1 19 ? -3.148 -1.399 6.268 1.00 0.00 ? 19 ARG A HA 33 ATOM 45692 H HB2 . ARG A 1 19 ? -5.113 -2.971 4.711 1.00 0.00 ? 19 ARG A HB2 33 ATOM 45693 H HB3 . ARG A 1 19 ? -3.525 -3.702 4.902 1.00 0.00 ? 19 ARG A HB3 33 ATOM 45694 H HG2 . ARG A 1 19 ? -3.723 -3.474 7.335 1.00 0.00 ? 19 ARG A HG2 33 ATOM 45695 H HG3 . ARG A 1 19 ? -5.330 -2.774 7.127 1.00 0.00 ? 19 ARG A HG3 33 ATOM 45696 H HD2 . ARG A 1 19 ? -5.841 -4.979 7.549 1.00 0.00 ? 19 ARG A HD2 33 ATOM 45697 H HD3 . ARG A 1 19 ? -5.801 -4.959 5.786 1.00 0.00 ? 19 ARG A HD3 33 ATOM 45698 H HE . ARG A 1 19 ? -4.099 -6.460 5.898 1.00 0.00 ? 19 ARG A HE 33 ATOM 45699 H HH11 . ARG A 1 19 ? -4.136 -4.632 8.862 1.00 0.00 ? 19 ARG A HH11 33 ATOM 45700 H HH12 . ARG A 1 19 ? -2.837 -5.524 9.581 1.00 0.00 ? 19 ARG A HH12 33 ATOM 45701 H HH21 . ARG A 1 19 ? -2.388 -7.643 6.835 1.00 0.00 ? 19 ARG A HH21 33 ATOM 45702 H HH22 . ARG A 1 19 ? -1.842 -7.236 8.427 1.00 0.00 ? 19 ARG A HH22 33 ATOM 45703 N N . LEU A 1 20 ? -2.836 -1.237 3.015 1.00 0.00 ? 20 LEU A N 33 ATOM 45704 C CA . LEU A 1 20 ? -1.864 -1.157 1.934 1.00 0.00 ? 20 LEU A CA 33 ATOM 45705 C C . LEU A 1 20 ? -0.967 0.062 2.116 1.00 0.00 ? 20 LEU A C 33 ATOM 45706 O O . LEU A 1 20 ? 0.228 0.016 1.824 1.00 0.00 ? 20 LEU A O 33 ATOM 45707 C CB . LEU A 1 20 ? -2.572 -1.095 0.581 1.00 0.00 ? 20 LEU A CB 33 ATOM 45708 C CG . LEU A 1 20 ? -2.846 -2.452 -0.070 1.00 0.00 ? 20 LEU A CG 33 ATOM 45709 C CD1 . LEU A 1 20 ? -1.562 -3.258 -0.186 1.00 0.00 ? 20 LEU A CD1 33 ATOM 45710 C CD2 . LEU A 1 20 ? -3.890 -3.221 0.727 1.00 0.00 ? 20 LEU A CD2 33 ATOM 45711 H H . LEU A 1 20 ? -3.778 -1.046 2.825 1.00 0.00 ? 20 LEU A H 33 ATOM 45712 H HA . LEU A 1 20 ? -1.253 -2.047 1.972 1.00 0.00 ? 20 LEU A HA 33 ATOM 45713 H HB2 . LEU A 1 20 ? -3.516 -0.586 0.715 1.00 0.00 ? 20 LEU A HB2 33 ATOM 45714 H HB3 . LEU A 1 20 ? -1.962 -0.514 -0.095 1.00 0.00 ? 20 LEU A HB3 33 ATOM 45715 H HG . LEU A 1 20 ? -3.233 -2.295 -1.066 1.00 0.00 ? 20 LEU A HG 33 ATOM 45716 H HD11 . LEU A 1 20 ? -0.780 -2.632 -0.594 1.00 0.00 ? 20 LEU A HD11 33 ATOM 45717 H HD12 . LEU A 1 20 ? -1.267 -3.609 0.792 1.00 0.00 ? 20 LEU A HD12 33 ATOM 45718 H HD13 . LEU A 1 20 ? -1.725 -4.102 -0.839 1.00 0.00 ? 20 LEU A HD13 33 ATOM 45719 H HD21 . LEU A 1 20 ? -3.746 -3.038 1.781 1.00 0.00 ? 20 LEU A HD21 33 ATOM 45720 H HD22 . LEU A 1 20 ? -4.878 -2.894 0.436 1.00 0.00 ? 20 LEU A HD22 33 ATOM 45721 H HD23 . LEU A 1 20 ? -3.788 -4.278 0.527 1.00 0.00 ? 20 LEU A HD23 33 ATOM 45722 N N . GLN A 1 21 ? -1.551 1.149 2.611 1.00 0.00 ? 21 GLN A N 33 ATOM 45723 C CA . GLN A 1 21 ? -0.802 2.377 2.844 1.00 0.00 ? 21 GLN A CA 33 ATOM 45724 C C . GLN A 1 21 ? 0.216 2.178 3.963 1.00 0.00 ? 21 GLN A C 33 ATOM 45725 O O . GLN A 1 21 ? 1.377 2.568 3.839 1.00 0.00 ? 21 GLN A O 33 ATOM 45726 C CB . GLN A 1 21 ? -1.752 3.522 3.199 1.00 0.00 ? 21 GLN A CB 33 ATOM 45727 C CG . GLN A 1 21 ? -1.560 4.760 2.338 1.00 0.00 ? 21 GLN A CG 33 ATOM 45728 C CD . GLN A 1 21 ? -0.596 5.755 2.954 1.00 0.00 ? 21 GLN A CD 33 ATOM 45729 O OE1 . GLN A 1 21 ? -1.006 6.686 3.647 1.00 0.00 ? 21 GLN A OE1 33 ATOM 45730 N NE2 . GLN A 1 21 ? 0.693 5.563 2.702 1.00 0.00 ? 21 GLN A NE2 33 ATOM 45731 H H . GLN A 1 21 ? -2.507 1.121 2.832 1.00 0.00 ? 21 GLN A H 33 ATOM 45732 H HA . GLN A 1 21 ? -0.275 2.623 1.934 1.00 0.00 ? 21 GLN A HA 33 ATOM 45733 H HB2 . GLN A 1 21 ? -2.770 3.180 3.080 1.00 0.00 ? 21 GLN A HB2 33 ATOM 45734 H HB3 . GLN A 1 21 ? -1.593 3.800 4.231 1.00 0.00 ? 21 GLN A HB3 33 ATOM 45735 H HG2 . GLN A 1 21 ? -1.175 4.457 1.375 1.00 0.00 ? 21 GLN A HG2 33 ATOM 45736 H HG3 . GLN A 1 21 ? -2.518 5.242 2.205 1.00 0.00 ? 21 GLN A HG3 33 ATOM 45737 H HE21 . GLN A 1 21 ? 0.947 4.800 2.141 1.00 0.00 ? 21 GLN A HE21 33 ATOM 45738 H HE22 . GLN A 1 21 ? 1.339 6.192 3.087 1.00 0.00 ? 21 GLN A HE22 33 ATOM 45739 N N . LYS A 1 22 ? -0.226 1.560 5.055 1.00 0.00 ? 22 LYS A N 33 ATOM 45740 C CA . LYS A 1 22 ? 0.650 1.303 6.189 1.00 0.00 ? 22 LYS A CA 33 ATOM 45741 C C . LYS A 1 22 ? 1.800 0.392 5.777 1.00 0.00 ? 22 LYS A C 33 ATOM 45742 O O . LYS A 1 22 ? 2.911 0.499 6.297 1.00 0.00 ? 22 LYS A O 33 ATOM 45743 C CB . LYS A 1 22 ? -0.136 0.668 7.338 1.00 0.00 ? 22 LYS A CB 33 ATOM 45744 C CG . LYS A 1 22 ? -0.409 1.624 8.488 1.00 0.00 ? 22 LYS A CG 33 ATOM 45745 C CD . LYS A 1 22 ? -1.367 2.730 8.078 1.00 0.00 ? 22 LYS A CD 33 ATOM 45746 C CE . LYS A 1 22 ? -0.625 3.919 7.490 1.00 0.00 ? 22 LYS A CE 33 ATOM 45747 N NZ . LYS A 1 22 ? -1.367 5.194 7.692 1.00 0.00 ? 22 LYS A NZ 33 ATOM 45748 H H . LYS A 1 22 ? -1.161 1.265 5.095 1.00 0.00 ? 22 LYS A H 33 ATOM 45749 H HA . LYS A 1 22 ? 1.055 2.248 6.517 1.00 0.00 ? 22 LYS A HA 33 ATOM 45750 H HB2 . LYS A 1 22 ? -1.084 0.316 6.958 1.00 0.00 ? 22 LYS A HB2 33 ATOM 45751 H HB3 . LYS A 1 22 ? 0.424 -0.172 7.720 1.00 0.00 ? 22 LYS A HB3 33 ATOM 45752 H HG2 . LYS A 1 22 ? -0.844 1.070 9.307 1.00 0.00 ? 22 LYS A HG2 33 ATOM 45753 H HG3 . LYS A 1 22 ? 0.525 2.066 8.805 1.00 0.00 ? 22 LYS A HG3 33 ATOM 45754 H HD2 . LYS A 1 22 ? -2.052 2.344 7.338 1.00 0.00 ? 22 LYS A HD2 33 ATOM 45755 H HD3 . LYS A 1 22 ? -1.918 3.056 8.948 1.00 0.00 ? 22 LYS A HD3 33 ATOM 45756 H HE2 . LYS A 1 22 ? 0.342 3.996 7.966 1.00 0.00 ? 22 LYS A HE2 33 ATOM 45757 H HE3 . LYS A 1 22 ? -0.490 3.755 6.430 1.00 0.00 ? 22 LYS A HE3 33 ATOM 45758 H HZ1 . LYS A 1 22 ? -1.556 5.340 8.704 1.00 0.00 ? 22 LYS A HZ1 33 ATOM 45759 H HZ2 . LYS A 1 22 ? -0.807 5.994 7.335 1.00 0.00 ? 22 LYS A HZ2 33 ATOM 45760 H HZ3 . LYS A 1 22 ? -2.273 5.165 7.183 1.00 0.00 ? 22 LYS A HZ3 33 ATOM 45761 N N . GLU A 1 23 ? 1.524 -0.504 4.834 1.00 0.00 ? 23 GLU A N 33 ATOM 45762 C CA . GLU A 1 23 ? 2.534 -1.434 4.347 1.00 0.00 ? 23 GLU A CA 33 ATOM 45763 C C . GLU A 1 23 ? 3.647 -0.689 3.622 1.00 0.00 ? 23 GLU A C 33 ATOM 45764 O O . GLU A 1 23 ? 4.826 -0.907 3.896 1.00 0.00 ? 23 GLU A O 33 ATOM 45765 C CB . GLU A 1 23 ? 1.902 -2.469 3.415 1.00 0.00 ? 23 GLU A CB 33 ATOM 45766 C CG . GLU A 1 23 ? 2.737 -3.729 3.251 1.00 0.00 ? 23 GLU A CG 33 ATOM 45767 C CD . GLU A 1 23 ? 3.217 -4.287 4.577 1.00 0.00 ? 23 GLU A CD 33 ATOM 45768 O OE1 . GLU A 1 23 ? 2.364 -4.655 5.410 1.00 0.00 ? 23 GLU A OE1 33 ATOM 45769 O OE2 . GLU A 1 23 ? 4.447 -4.355 4.780 1.00 0.00 ? 23 GLU A OE2 33 ATOM 45770 H H . GLU A 1 23 ? 0.621 -0.537 4.457 1.00 0.00 ? 23 GLU A H 33 ATOM 45771 H HA . GLU A 1 23 ? 2.958 -1.938 5.202 1.00 0.00 ? 23 GLU A HA 33 ATOM 45772 H HB2 . GLU A 1 23 ? 0.938 -2.752 3.812 1.00 0.00 ? 23 GLU A HB2 33 ATOM 45773 H HB3 . GLU A 1 23 ? 1.765 -2.025 2.440 1.00 0.00 ? 23 GLU A HB3 33 ATOM 45774 H HG2 . GLU A 1 23 ? 2.138 -4.481 2.758 1.00 0.00 ? 23 GLU A HG2 33 ATOM 45775 H HG3 . GLU A 1 23 ? 3.598 -3.498 2.641 1.00 0.00 ? 23 GLU A HG3 33 ATOM 45776 N N . ILE A 1 24 ? 3.272 0.197 2.704 1.00 0.00 ? 24 ILE A N 33 ATOM 45777 C CA . ILE A 1 24 ? 4.256 0.972 1.962 1.00 0.00 ? 24 ILE A CA 33 ATOM 45778 C C . ILE A 1 24 ? 5.036 1.886 2.901 1.00 0.00 ? 24 ILE A C 33 ATOM 45779 O O . ILE A 1 24 ? 6.154 2.295 2.594 1.00 0.00 ? 24 ILE A O 33 ATOM 45780 C CB . ILE A 1 24 ? 3.604 1.816 0.845 1.00 0.00 ? 24 ILE A CB 33 ATOM 45781 C CG1 . ILE A 1 24 ? 4.655 2.685 0.146 1.00 0.00 ? 24 ILE A CG1 33 ATOM 45782 C CG2 . ILE A 1 24 ? 2.488 2.677 1.411 1.00 0.00 ? 24 ILE A CG2 33 ATOM 45783 C CD1 . ILE A 1 24 ? 4.080 3.598 -0.911 1.00 0.00 ? 24 ILE A CD1 33 ATOM 45784 H H . ILE A 1 24 ? 2.317 0.337 2.531 1.00 0.00 ? 24 ILE A H 33 ATOM 45785 H HA . ILE A 1 24 ? 4.945 0.277 1.502 1.00 0.00 ? 24 ILE A HA 33 ATOM 45786 H HB . ILE A 1 24 ? 3.171 1.143 0.124 1.00 0.00 ? 24 ILE A HB 33 ATOM 45787 H HG12 . ILE A 1 24 ? 5.150 3.302 0.881 1.00 0.00 ? 24 ILE A HG12 33 ATOM 45788 H HG13 . ILE A 1 24 ? 5.383 2.043 -0.327 1.00 0.00 ? 24 ILE A HG13 33 ATOM 45789 H HG21 . ILE A 1 24 ? 2.829 3.167 2.310 1.00 0.00 ? 24 ILE A HG21 33 ATOM 45790 H HG22 . ILE A 1 24 ? 2.204 3.421 0.680 1.00 0.00 ? 24 ILE A HG22 33 ATOM 45791 H HG23 . ILE A 1 24 ? 1.636 2.055 1.640 1.00 0.00 ? 24 ILE A HG23 33 ATOM 45792 H HD11 . ILE A 1 24 ? 3.083 3.271 -1.163 1.00 0.00 ? 24 ILE A HD11 33 ATOM 45793 H HD12 . ILE A 1 24 ? 4.044 4.609 -0.533 1.00 0.00 ? 24 ILE A HD12 33 ATOM 45794 H HD13 . ILE A 1 24 ? 4.705 3.562 -1.792 1.00 0.00 ? 24 ILE A HD13 33 ATOM 45795 N N . GLU A 1 25 ? 4.441 2.200 4.050 1.00 0.00 ? 25 GLU A N 33 ATOM 45796 C CA . GLU A 1 25 ? 5.091 3.058 5.031 1.00 0.00 ? 25 GLU A CA 33 ATOM 45797 C C . GLU A 1 25 ? 6.296 2.350 5.640 1.00 0.00 ? 25 GLU A C 33 ATOM 45798 O O . GLU A 1 25 ? 7.391 2.913 5.709 1.00 0.00 ? 25 GLU A O 33 ATOM 45799 C CB . GLU A 1 25 ? 4.104 3.452 6.131 1.00 0.00 ? 25 GLU A CB 33 ATOM 45800 C CG . GLU A 1 25 ? 4.349 4.840 6.700 1.00 0.00 ? 25 GLU A CG 33 ATOM 45801 C CD . GLU A 1 25 ? 4.995 4.802 8.071 1.00 0.00 ? 25 GLU A CD 33 ATOM 45802 O OE1 . GLU A 1 25 ? 4.436 4.143 8.973 1.00 0.00 ? 25 GLU A OE1 33 ATOM 45803 O OE2 . GLU A 1 25 ? 6.059 5.432 8.244 1.00 0.00 ? 25 GLU A OE2 33 ATOM 45804 H H . GLU A 1 25 ? 3.549 1.843 4.242 1.00 0.00 ? 25 GLU A H 33 ATOM 45805 H HA . GLU A 1 25 ? 5.428 3.949 4.523 1.00 0.00 ? 25 GLU A HA 33 ATOM 45806 H HB2 . GLU A 1 25 ? 3.102 3.424 5.727 1.00 0.00 ? 25 GLU A HB2 33 ATOM 45807 H HB3 . GLU A 1 25 ? 4.177 2.737 6.938 1.00 0.00 ? 25 GLU A HB3 33 ATOM 45808 H HG2 . GLU A 1 25 ? 4.999 5.381 6.028 1.00 0.00 ? 25 GLU A HG2 33 ATOM 45809 H HG3 . GLU A 1 25 ? 3.403 5.356 6.777 1.00 0.00 ? 25 GLU A HG3 33 ATOM 45810 N N . ARG A 1 26 ? 6.091 1.109 6.072 1.00 0.00 ? 26 ARG A N 33 ATOM 45811 C CA . ARG A 1 26 ? 7.167 0.325 6.667 1.00 0.00 ? 26 ARG A CA 33 ATOM 45812 C C . ARG A 1 26 ? 8.243 0.019 5.631 1.00 0.00 ? 26 ARG A C 33 ATOM 45813 O O . ARG A 1 26 ? 9.440 0.019 5.938 1.00 0.00 ? 26 ARG A O 33 ATOM 45814 C CB . ARG A 1 26 ? 6.617 -0.979 7.249 1.00 0.00 ? 26 ARG A CB 33 ATOM 45815 C CG . ARG A 1 26 ? 6.339 -0.910 8.742 1.00 0.00 ? 26 ARG A CG 33 ATOM 45816 C CD . ARG A 1 26 ? 5.226 0.076 9.056 1.00 0.00 ? 26 ARG A CD 33 ATOM 45817 N NE . ARG A 1 26 ? 4.297 -0.448 10.053 1.00 0.00 ? 26 ARG A NE 33 ATOM 45818 C CZ . ARG A 1 26 ? 4.630 -0.682 11.318 1.00 0.00 ? 26 ARG A CZ 33 ATOM 45819 N NH1 . ARG A 1 26 ? 5.864 -0.441 11.737 1.00 0.00 ? 26 ARG A NH1 33 ATOM 45820 N NH2 . ARG A 1 26 ? 3.727 -1.158 12.165 1.00 0.00 ? 26 ARG A NH2 33 ATOM 45821 H H . ARG A 1 26 ? 5.198 0.710 5.984 1.00 0.00 ? 26 ARG A H 33 ATOM 45822 H HA . ARG A 1 26 ? 7.604 0.909 7.463 1.00 0.00 ? 26 ARG A HA 33 ATOM 45823 H HB2 . ARG A 1 26 ? 5.694 -1.223 6.743 1.00 0.00 ? 26 ARG A HB2 33 ATOM 45824 H HB3 . ARG A 1 26 ? 7.332 -1.768 7.073 1.00 0.00 ? 26 ARG A HB3 33 ATOM 45825 H HG2 . ARG A 1 26 ? 6.048 -1.890 9.089 1.00 0.00 ? 26 ARG A HG2 33 ATOM 45826 H HG3 . ARG A 1 26 ? 7.239 -0.598 9.250 1.00 0.00 ? 26 ARG A HG3 33 ATOM 45827 H HD2 . ARG A 1 26 ? 5.666 0.988 9.433 1.00 0.00 ? 26 ARG A HD2 33 ATOM 45828 H HD3 . ARG A 1 26 ? 4.683 0.288 8.147 1.00 0.00 ? 26 ARG A HD3 33 ATOM 45829 H HE . ARG A 1 26 ? 3.379 -0.634 9.765 1.00 0.00 ? 26 ARG A HE 33 ATOM 45830 H HH11 . ARG A 1 26 ? 6.547 -0.081 11.101 1.00 0.00 ? 26 ARG A HH11 33 ATOM 45831 H HH12 . ARG A 1 26 ? 6.112 -0.617 12.689 1.00 0.00 ? 26 ARG A HH12 33 ATOM 45832 H HH21 . ARG A 1 26 ? 2.795 -1.341 11.852 1.00 0.00 ? 26 ARG A HH21 33 ATOM 45833 H HH22 . ARG A 1 26 ? 3.979 -1.335 13.117 1.00 0.00 ? 26 ARG A HH22 33 ATOM 45834 N N . HIS A 1 27 ? 7.813 -0.224 4.398 1.00 0.00 ? 27 HIS A N 33 ATOM 45835 C CA . HIS A 1 27 ? 8.736 -0.516 3.318 1.00 0.00 ? 27 HIS A CA 33 ATOM 45836 C C . HIS A 1 27 ? 9.464 0.749 2.888 1.00 0.00 ? 27 HIS A C 33 ATOM 45837 O O . HIS A 1 27 ? 10.546 0.682 2.311 1.00 0.00 ? 27 HIS A O 33 ATOM 45838 C CB . HIS A 1 27 ? 7.982 -1.123 2.134 1.00 0.00 ? 27 HIS A CB 33 ATOM 45839 C CG . HIS A 1 27 ? 8.466 -2.486 1.752 1.00 0.00 ? 27 HIS A CG 33 ATOM 45840 N ND1 . HIS A 1 27 ? 9.523 -2.698 0.891 1.00 0.00 ? 27 HIS A ND1 33 ATOM 45841 C CD2 . HIS A 1 27 ? 8.031 -3.715 2.121 1.00 0.00 ? 27 HIS A CD2 33 ATOM 45842 C CE1 . HIS A 1 27 ? 9.716 -3.998 0.746 1.00 0.00 ? 27 HIS A CE1 33 ATOM 45843 N NE2 . HIS A 1 27 ? 8.825 -4.635 1.482 1.00 0.00 ? 27 HIS A NE2 33 ATOM 45844 H H . HIS A 1 27 ? 6.854 -0.192 4.205 1.00 0.00 ? 27 HIS A H 33 ATOM 45845 H HA . HIS A 1 27 ? 9.459 -1.231 3.681 1.00 0.00 ? 27 HIS A HA 33 ATOM 45846 H HB2 . HIS A 1 27 ? 6.936 -1.202 2.386 1.00 0.00 ? 27 HIS A HB2 33 ATOM 45847 H HB3 . HIS A 1 27 ? 8.092 -0.477 1.278 1.00 0.00 ? 27 HIS A HB3 33 ATOM 45848 H HD1 . HIS A 1 27 ? 10.051 -2.001 0.451 1.00 0.00 ? 27 HIS A HD1 33 ATOM 45849 H HD2 . HIS A 1 27 ? 7.212 -3.929 2.793 1.00 0.00 ? 27 HIS A HD2 33 ATOM 45850 H HE1 . HIS A 1 27 ? 10.475 -4.459 0.132 1.00 0.00 ? 27 HIS A HE1 33 ATOM 45851 H HE2 . HIS A 1 27 ? 8.745 -5.609 1.558 1.00 0.00 ? 27 HIS A HE2 33 ATOM 45852 N N . LYS A 1 28 ? 8.864 1.902 3.181 1.00 0.00 ? 28 LYS A N 33 ATOM 45853 C CA . LYS A 1 28 ? 9.456 3.185 2.830 1.00 0.00 ? 28 LYS A CA 33 ATOM 45854 C C . LYS A 1 28 ? 10.595 3.526 3.779 1.00 0.00 ? 28 LYS A C 33 ATOM 45855 O O . LYS A 1 28 ? 11.574 4.162 3.389 1.00 0.00 ? 28 LYS A O 33 ATOM 45856 C CB . LYS A 1 28 ? 8.397 4.289 2.865 1.00 0.00 ? 28 LYS A CB 33 ATOM 45857 C CG . LYS A 1 28 ? 8.954 5.675 2.584 1.00 0.00 ? 28 LYS A CG 33 ATOM 45858 C CD . LYS A 1 28 ? 8.294 6.728 3.459 1.00 0.00 ? 28 LYS A CD 33 ATOM 45859 C CE . LYS A 1 28 ? 9.144 7.056 4.676 1.00 0.00 ? 28 LYS A CE 33 ATOM 45860 N NZ . LYS A 1 28 ? 9.313 8.525 4.857 1.00 0.00 ? 28 LYS A NZ 33 ATOM 45861 H H . LYS A 1 28 ? 8.004 1.890 3.648 1.00 0.00 ? 28 LYS A H 33 ATOM 45862 H HA . LYS A 1 28 ? 9.848 3.105 1.829 1.00 0.00 ? 28 LYS A HA 33 ATOM 45863 H HB2 . LYS A 1 28 ? 7.642 4.071 2.124 1.00 0.00 ? 28 LYS A HB2 33 ATOM 45864 H HB3 . LYS A 1 28 ? 7.938 4.301 3.842 1.00 0.00 ? 28 LYS A HB3 33 ATOM 45865 H HG2 . LYS A 1 28 ? 10.015 5.673 2.782 1.00 0.00 ? 28 LYS A HG2 33 ATOM 45866 H HG3 . LYS A 1 28 ? 8.779 5.920 1.547 1.00 0.00 ? 28 LYS A HG3 33 ATOM 45867 H HD2 . LYS A 1 28 ? 8.153 7.628 2.879 1.00 0.00 ? 28 LYS A HD2 33 ATOM 45868 H HD3 . LYS A 1 28 ? 7.335 6.358 3.790 1.00 0.00 ? 28 LYS A HD3 33 ATOM 45869 H HE2 . LYS A 1 28 ? 8.667 6.647 5.554 1.00 0.00 ? 28 LYS A HE2 33 ATOM 45870 H HE3 . LYS A 1 28 ? 10.117 6.603 4.551 1.00 0.00 ? 28 LYS A HE3 33 ATOM 45871 H HZ1 . LYS A 1 28 ? 8.785 9.038 4.123 1.00 0.00 ? 28 LYS A HZ1 33 ATOM 45872 H HZ2 . LYS A 1 28 ? 8.958 8.812 5.791 1.00 0.00 ? 28 LYS A HZ2 33 ATOM 45873 H HZ3 . LYS A 1 28 ? 10.319 8.779 4.786 1.00 0.00 ? 28 LYS A HZ3 33 ATOM 45874 N N . GLN A 1 29 ? 10.465 3.091 5.026 1.00 0.00 ? 29 GLN A N 33 ATOM 45875 C CA . GLN A 1 29 ? 11.490 3.344 6.029 1.00 0.00 ? 29 GLN A CA 33 ATOM 45876 C C . GLN A 1 29 ? 12.718 2.481 5.764 1.00 0.00 ? 29 GLN A C 33 ATOM 45877 O O . GLN A 1 29 ? 13.852 2.944 5.883 1.00 0.00 ? 29 GLN A O 33 ATOM 45878 C CB . GLN A 1 29 ? 10.946 3.066 7.431 1.00 0.00 ? 29 GLN A CB 33 ATOM 45879 C CG . GLN A 1 29 ? 11.990 3.202 8.527 1.00 0.00 ? 29 GLN A CG 33 ATOM 45880 C CD . GLN A 1 29 ? 11.793 4.450 9.367 1.00 0.00 ? 29 GLN A CD 33 ATOM 45881 O OE1 . GLN A 1 29 ? 12.619 5.363 9.344 1.00 0.00 ? 29 GLN A OE1 33 ATOM 45882 N NE2 . GLN A 1 29 ? 10.697 4.493 10.114 1.00 0.00 ? 29 GLN A NE2 33 ATOM 45883 H H . GLN A 1 29 ? 9.662 2.586 5.277 1.00 0.00 ? 29 GLN A H 33 ATOM 45884 H HA . GLN A 1 29 ? 11.773 4.384 5.959 1.00 0.00 ? 29 GLN A HA 33 ATOM 45885 H HB2 . GLN A 1 29 ? 10.144 3.760 7.638 1.00 0.00 ? 29 GLN A HB2 33 ATOM 45886 H HB3 . GLN A 1 29 ? 10.554 2.059 7.460 1.00 0.00 ? 29 GLN A HB3 33 ATOM 45887 H HG2 . GLN A 1 29 ? 11.930 2.339 9.173 1.00 0.00 ? 29 GLN A HG2 33 ATOM 45888 H HG3 . GLN A 1 29 ? 12.969 3.243 8.071 1.00 0.00 ? 29 GLN A HG3 33 ATOM 45889 H HE21 . GLN A 1 29 ? 10.084 3.729 10.082 1.00 0.00 ? 29 GLN A HE21 33 ATOM 45890 H HE22 . GLN A 1 29 ? 10.544 5.288 10.666 1.00 0.00 ? 29 GLN A HE22 33 ATOM 45891 N N . SER A 1 30 ? 12.483 1.223 5.400 1.00 0.00 ? 30 SER A N 33 ATOM 45892 C CA . SER A 1 30 ? 13.573 0.296 5.116 1.00 0.00 ? 30 SER A CA 33 ATOM 45893 C C . SER A 1 30 ? 14.317 0.690 3.840 1.00 0.00 ? 30 SER A C 33 ATOM 45894 O O . SER A 1 30 ? 15.547 0.636 3.785 1.00 0.00 ? 30 SER A O 33 ATOM 45895 C CB . SER A 1 30 ? 13.034 -1.130 4.985 1.00 0.00 ? 30 SER A CB 33 ATOM 45896 O OG . SER A 1 30 ? 13.216 -1.857 6.187 1.00 0.00 ? 30 SER A OG 33 ATOM 45897 H H . SER A 1 30 ? 11.554 0.911 5.322 1.00 0.00 ? 30 SER A H 33 ATOM 45898 H HA . SER A 1 30 ? 14.263 0.333 5.946 1.00 0.00 ? 30 SER A HA 33 ATOM 45899 H HB2 . SER A 1 30 ? 11.980 -1.095 4.756 1.00 0.00 ? 30 SER A HB2 33 ATOM 45900 H HB3 . SER A 1 30 ? 13.558 -1.639 4.188 1.00 0.00 ? 30 SER A HB3 33 ATOM 45901 H HG . SER A 1 30 ? 12.359 -2.099 6.548 1.00 0.00 ? 30 SER A HG 33 ATOM 45902 N N . ILE A 1 31 ? 13.564 1.082 2.817 1.00 0.00 ? 31 ILE A N 33 ATOM 45903 C CA . ILE A 1 31 ? 14.152 1.480 1.539 1.00 0.00 ? 31 ILE A CA 33 ATOM 45904 C C . ILE A 1 31 ? 14.829 2.842 1.647 1.00 0.00 ? 31 ILE A C 33 ATOM 45905 O O . ILE A 1 31 ? 15.777 3.132 0.916 1.00 0.00 ? 31 ILE A O 33 ATOM 45906 C CB . ILE A 1 31 ? 13.079 1.522 0.429 1.00 0.00 ? 31 ILE A CB 33 ATOM 45907 C CG1 . ILE A 1 31 ? 13.660 2.010 -0.897 1.00 0.00 ? 31 ILE A CG1 33 ATOM 45908 C CG2 . ILE A 1 31 ? 11.929 2.423 0.838 1.00 0.00 ? 31 ILE A CG2 33 ATOM 45909 C CD1 . ILE A 1 31 ? 14.480 0.973 -1.615 1.00 0.00 ? 31 ILE A CD1 33 ATOM 45910 H H . ILE A 1 31 ? 12.589 1.103 2.921 1.00 0.00 ? 31 ILE A H 33 ATOM 45911 H HA . ILE A 1 31 ? 14.893 0.742 1.270 1.00 0.00 ? 31 ILE A HA 33 ATOM 45912 H HB . ILE A 1 31 ? 12.697 0.517 0.297 1.00 0.00 ? 31 ILE A HB 33 ATOM 45913 H HG12 . ILE A 1 31 ? 12.846 2.292 -1.551 1.00 0.00 ? 31 ILE A HG12 33 ATOM 45914 H HG13 . ILE A 1 31 ? 14.287 2.870 -0.718 1.00 0.00 ? 31 ILE A HG13 33 ATOM 45915 H HG21 . ILE A 1 31 ? 11.981 2.619 1.897 1.00 0.00 ? 31 ILE A HG21 33 ATOM 45916 H HG22 . ILE A 1 31 ? 11.993 3.355 0.298 1.00 0.00 ? 31 ILE A HG22 33 ATOM 45917 H HG23 . ILE A 1 31 ? 10.994 1.940 0.606 1.00 0.00 ? 31 ILE A HG23 33 ATOM 45918 H HD11 . ILE A 1 31 ? 15.273 0.627 -0.969 1.00 0.00 ? 31 ILE A HD11 33 ATOM 45919 H HD12 . ILE A 1 31 ? 13.846 0.142 -1.883 1.00 0.00 ? 31 ILE A HD12 33 ATOM 45920 H HD13 . ILE A 1 31 ? 14.905 1.404 -2.509 1.00 0.00 ? 31 ILE A HD13 33 ATOM 45921 N N . LYS A 1 32 ? 14.345 3.668 2.564 1.00 0.00 ? 32 LYS A N 33 ATOM 45922 C CA . LYS A 1 32 ? 14.913 4.994 2.768 1.00 0.00 ? 32 LYS A CA 33 ATOM 45923 C C . LYS A 1 32 ? 16.179 4.916 3.615 1.00 0.00 ? 32 LYS A C 33 ATOM 45924 O O . LYS A 1 32 ? 17.023 5.811 3.569 1.00 0.00 ? 32 LYS A O 33 ATOM 45925 C CB . LYS A 1 32 ? 13.891 5.913 3.440 1.00 0.00 ? 32 LYS A CB 33 ATOM 45926 C CG . LYS A 1 32 ? 12.965 6.614 2.458 1.00 0.00 ? 32 LYS A CG 33 ATOM 45927 C CD . LYS A 1 32 ? 12.766 8.074 2.828 1.00 0.00 ? 32 LYS A CD 33 ATOM 45928 C CE . LYS A 1 32 ? 11.370 8.555 2.467 1.00 0.00 ? 32 LYS A CE 33 ATOM 45929 N NZ . LYS A 1 32 ? 11.146 9.968 2.876 1.00 0.00 ? 32 LYS A NZ 33 ATOM 45930 H H . LYS A 1 32 ? 13.592 3.378 3.121 1.00 0.00 ? 32 LYS A H 33 ATOM 45931 H HA . LYS A 1 32 ? 15.166 5.398 1.799 1.00 0.00 ? 32 LYS A HA 33 ATOM 45932 H HB2 . LYS A 1 32 ? 13.286 5.326 4.116 1.00 0.00 ? 32 LYS A HB2 33 ATOM 45933 H HB3 . LYS A 1 32 ? 14.419 6.667 4.005 1.00 0.00 ? 32 LYS A HB3 33 ATOM 45934 H HG2 . LYS A 1 32 ? 13.396 6.558 1.470 1.00 0.00 ? 32 LYS A HG2 33 ATOM 45935 H HG3 . LYS A 1 32 ? 12.007 6.116 2.464 1.00 0.00 ? 32 LYS A HG3 33 ATOM 45936 H HD2 . LYS A 1 32 ? 12.912 8.190 3.891 1.00 0.00 ? 32 LYS A HD2 33 ATOM 45937 H HD3 . LYS A 1 32 ? 13.492 8.672 2.295 1.00 0.00 ? 32 LYS A HD3 33 ATOM 45938 H HE2 . LYS A 1 32 ? 11.240 8.474 1.398 1.00 0.00 ? 32 LYS A HE2 33 ATOM 45939 H HE3 . LYS A 1 32 ? 10.647 7.926 2.965 1.00 0.00 ? 32 LYS A HE3 33 ATOM 45940 H HZ1 . LYS A 1 32 ? 11.668 10.176 3.751 1.00 0.00 ? 32 LYS A HZ1 33 ATOM 45941 H HZ2 . LYS A 1 32 ? 11.474 10.614 2.129 1.00 0.00 ? 32 LYS A HZ2 33 ATOM 45942 H HZ3 . LYS A 1 32 ? 10.133 10.136 3.042 1.00 0.00 ? 32 LYS A HZ3 33 ATOM 45943 N N . LYS A 1 33 ? 16.304 3.843 4.392 1.00 0.00 ? 33 LYS A N 33 ATOM 45944 C CA . LYS A 1 33 ? 17.466 3.656 5.251 1.00 0.00 ? 33 LYS A CA 33 ATOM 45945 C C . LYS A 1 33 ? 18.655 3.110 4.469 1.00 0.00 ? 33 LYS A C 33 ATOM 45946 O O . LYS A 1 33 ? 19.791 3.532 4.683 1.00 0.00 ? 33 LYS A O 33 ATOM 45947 C CB . LYS A 1 33 ? 17.124 2.714 6.408 1.00 0.00 ? 33 LYS A CB 33 ATOM 45948 C CG . LYS A 1 33 ? 16.827 3.436 7.712 1.00 0.00 ? 33 LYS A CG 33 ATOM 45949 C CD . LYS A 1 33 ? 18.072 3.566 8.574 1.00 0.00 ? 33 LYS A CD 33 ATOM 45950 C CE . LYS A 1 33 ? 17.768 3.295 10.038 1.00 0.00 ? 33 LYS A CE 33 ATOM 45951 N NZ . LYS A 1 33 ? 18.915 3.649 10.918 1.00 0.00 ? 33 LYS A NZ 33 ATOM 45952 H H . LYS A 1 33 ? 15.598 3.164 4.390 1.00 0.00 ? 33 LYS A H 33 ATOM 45953 H HA . LYS A 1 33 ? 17.734 4.621 5.654 1.00 0.00 ? 33 LYS A HA 33 ATOM 45954 H HB2 . LYS A 1 33 ? 16.256 2.131 6.138 1.00 0.00 ? 33 LYS A HB2 33 ATOM 45955 H HB3 . LYS A 1 33 ? 17.958 2.047 6.572 1.00 0.00 ? 33 LYS A HB3 33 ATOM 45956 H HG2 . LYS A 1 33 ? 16.451 4.423 7.489 1.00 0.00 ? 33 LYS A HG2 33 ATOM 45957 H HG3 . LYS A 1 33 ? 16.079 2.878 8.258 1.00 0.00 ? 33 LYS A HG3 33 ATOM 45958 H HD2 . LYS A 1 33 ? 18.810 2.856 8.232 1.00 0.00 ? 33 LYS A HD2 33 ATOM 45959 H HD3 . LYS A 1 33 ? 18.463 4.569 8.475 1.00 0.00 ? 33 LYS A HD3 33 ATOM 45960 H HE2 . LYS A 1 33 ? 16.909 3.881 10.329 1.00 0.00 ? 33 LYS A HE2 33 ATOM 45961 H HE3 . LYS A 1 33 ? 17.543 2.246 10.157 1.00 0.00 ? 33 LYS A HE3 33 ATOM 45962 H HZ1 . LYS A 1 33 ? 19.663 4.112 10.363 1.00 0.00 ? 33 LYS A HZ1 33 ATOM 45963 H HZ2 . LYS A 1 33 ? 18.604 4.298 11.669 1.00 0.00 ? 33 LYS A HZ2 33 ATOM 45964 H HZ3 . LYS A 1 33 ? 19.308 2.790 11.357 1.00 0.00 ? 33 LYS A HZ3 33 ATOM 45965 N N . LEU A 1 34 ? 18.397 2.173 3.561 1.00 0.00 ? 34 LEU A N 33 ATOM 45966 C CA . LEU A 1 34 ? 19.463 1.591 2.759 1.00 0.00 ? 34 LEU A CA 33 ATOM 45967 C C . LEU A 1 34 ? 19.804 2.498 1.583 1.00 0.00 ? 34 LEU A C 33 ATOM 45968 O O . LEU A 1 34 ? 20.919 2.466 1.064 1.00 0.00 ? 34 LEU A O 33 ATOM 45969 C CB . LEU A 1 34 ? 19.065 0.202 2.262 1.00 0.00 ? 34 LEU A CB 33 ATOM 45970 C CG . LEU A 1 34 ? 18.712 -0.805 3.359 1.00 0.00 ? 34 LEU A CG 33 ATOM 45971 C CD1 . LEU A 1 34 ? 17.701 -1.819 2.849 1.00 0.00 ? 34 LEU A CD1 33 ATOM 45972 C CD2 . LEU A 1 34 ? 19.966 -1.506 3.857 1.00 0.00 ? 34 LEU A CD2 33 ATOM 45973 H H . LEU A 1 34 ? 17.473 1.871 3.421 1.00 0.00 ? 34 LEU A H 33 ATOM 45974 H HA . LEU A 1 34 ? 20.336 1.501 3.390 1.00 0.00 ? 34 LEU A HA 33 ATOM 45975 H HB2 . LEU A 1 34 ? 18.211 0.308 1.608 1.00 0.00 ? 34 LEU A HB2 33 ATOM 45976 H HB3 . LEU A 1 34 ? 19.887 -0.200 1.691 1.00 0.00 ? 34 LEU A HB3 33 ATOM 45977 H HG . LEU A 1 34 ? 18.268 -0.280 4.192 1.00 0.00 ? 34 LEU A HG 33 ATOM 45978 H HD11 . LEU A 1 34 ? 16.897 -1.304 2.345 1.00 0.00 ? 34 LEU A HD11 33 ATOM 45979 H HD12 . LEU A 1 34 ? 18.186 -2.493 2.157 1.00 0.00 ? 34 LEU A HD12 33 ATOM 45980 H HD13 . LEU A 1 34 ? 17.303 -2.381 3.680 1.00 0.00 ? 34 LEU A HD13 33 ATOM 45981 H HD21 . LEU A 1 34 ? 20.714 -0.770 4.112 1.00 0.00 ? 34 LEU A HD21 33 ATOM 45982 H HD22 . LEU A 1 34 ? 19.727 -2.094 4.731 1.00 0.00 ? 34 LEU A HD22 33 ATOM 45983 H HD23 . LEU A 1 34 ? 20.348 -2.154 3.081 1.00 0.00 ? 34 LEU A HD23 33 ATOM 45984 N N . LYS A 1 35 ? 18.837 3.315 1.173 1.00 0.00 ? 35 LYS A N 33 ATOM 45985 C CA . LYS A 1 35 ? 19.040 4.239 0.067 1.00 0.00 ? 35 LYS A CA 33 ATOM 45986 C C . LYS A 1 35 ? 19.706 5.520 0.557 1.00 0.00 ? 35 LYS A C 33 ATOM 45987 O O . LYS A 1 35 ? 20.404 6.196 -0.198 1.00 0.00 ? 35 LYS A O 33 ATOM 45988 C CB . LYS A 1 35 ? 17.705 4.567 -0.606 1.00 0.00 ? 35 LYS A CB 33 ATOM 45989 C CG . LYS A 1 35 ? 17.856 5.218 -1.972 1.00 0.00 ? 35 LYS A CG 33 ATOM 45990 C CD . LYS A 1 35 ? 17.175 6.576 -2.019 1.00 0.00 ? 35 LYS A CD 33 ATOM 45991 C CE . LYS A 1 35 ? 15.667 6.438 -2.154 1.00 0.00 ? 35 LYS A CE 33 ATOM 45992 N NZ . LYS A 1 35 ? 15.291 5.479 -3.229 1.00 0.00 ? 35 LYS A NZ 33 ATOM 45993 H H . LYS A 1 35 ? 17.970 3.301 1.630 1.00 0.00 ? 35 LYS A H 33 ATOM 45994 H HA . LYS A 1 35 ? 19.689 3.761 -0.650 1.00 0.00 ? 35 LYS A HA 33 ATOM 45995 H HB2 . LYS A 1 35 ? 17.143 3.654 -0.728 1.00 0.00 ? 35 LYS A HB2 33 ATOM 45996 H HB3 . LYS A 1 35 ? 17.150 5.240 0.030 1.00 0.00 ? 35 LYS A HB3 33 ATOM 45997 H HG2 . LYS A 1 35 ? 18.908 5.347 -2.184 1.00 0.00 ? 35 LYS A HG2 33 ATOM 45998 H HG3 . LYS A 1 35 ? 17.412 4.576 -2.717 1.00 0.00 ? 35 LYS A HG3 33 ATOM 45999 H HD2 . LYS A 1 35 ? 17.396 7.112 -1.108 1.00 0.00 ? 35 LYS A HD2 33 ATOM 46000 H HD3 . LYS A 1 35 ? 17.554 7.128 -2.867 1.00 0.00 ? 35 LYS A HD3 33 ATOM 46001 H HE2 . LYS A 1 35 ? 15.265 6.086 -1.215 1.00 0.00 ? 35 LYS A HE2 33 ATOM 46002 H HE3 . LYS A 1 35 ? 15.249 7.407 -2.384 1.00 0.00 ? 35 LYS A HE3 33 ATOM 46003 H HZ1 . LYS A 1 35 ? 16.049 5.423 -3.940 1.00 0.00 ? 35 LYS A HZ1 33 ATOM 46004 H HZ2 . LYS A 1 35 ? 15.136 4.532 -2.826 1.00 0.00 ? 35 LYS A HZ2 33 ATOM 46005 H HZ3 . LYS A 1 35 ? 14.416 5.791 -3.697 1.00 0.00 ? 35 LYS A HZ3 33 ATOM 46006 N N . GLN A 1 36 ? 19.490 5.845 1.830 1.00 0.00 ? 36 GLN A N 33 ATOM 46007 C CA . GLN A 1 36 ? 20.077 7.041 2.420 1.00 0.00 ? 36 GLN A CA 33 ATOM 46008 C C . GLN A 1 36 ? 21.518 6.780 2.844 1.00 0.00 ? 36 GLN A C 33 ATOM 46009 O O . GLN A 1 36 ? 22.368 7.666 2.772 1.00 0.00 ? 36 GLN A O 33 ATOM 46010 C CB . GLN A 1 36 ? 19.254 7.499 3.625 1.00 0.00 ? 36 GLN A CB 33 ATOM 46011 C CG . GLN A 1 36 ? 18.005 8.279 3.248 1.00 0.00 ? 36 GLN A CG 33 ATOM 46012 C CD . GLN A 1 36 ? 17.091 8.523 4.432 1.00 0.00 ? 36 GLN A CD 33 ATOM 46013 O OE1 . GLN A 1 36 ? 15.874 8.359 4.337 1.00 0.00 ? 36 GLN A OE1 33 ATOM 46014 N NE2 . GLN A 1 36 ? 17.673 8.919 5.558 1.00 0.00 ? 36 GLN A NE2 33 ATOM 46015 H H . GLN A 1 36 ? 18.927 5.264 2.385 1.00 0.00 ? 36 GLN A H 33 ATOM 46016 H HA . GLN A 1 36 ? 20.069 7.819 1.672 1.00 0.00 ? 36 GLN A HA 33 ATOM 46017 H HB2 . GLN A 1 36 ? 18.953 6.632 4.193 1.00 0.00 ? 36 GLN A HB2 33 ATOM 46018 H HB3 . GLN A 1 36 ? 19.871 8.131 4.248 1.00 0.00 ? 36 GLN A HB3 33 ATOM 46019 H HG2 . GLN A 1 36 ? 18.301 9.233 2.839 1.00 0.00 ? 36 GLN A HG2 33 ATOM 46020 H HG3 . GLN A 1 36 ? 17.460 7.721 2.500 1.00 0.00 ? 36 GLN A HG3 33 ATOM 46021 H HE21 . GLN A 1 36 ? 18.647 9.029 5.561 1.00 0.00 ? 36 GLN A HE21 33 ATOM 46022 H HE22 . GLN A 1 36 ? 17.106 9.084 6.340 1.00 0.00 ? 36 GLN A HE22 33 ATOM 46023 N N . SER A 1 37 ? 21.785 5.553 3.283 1.00 0.00 ? 37 SER A N 33 ATOM 46024 C CA . SER A 1 37 ? 23.123 5.172 3.715 1.00 0.00 ? 37 SER A CA 33 ATOM 46025 C C . SER A 1 37 ? 24.038 4.949 2.514 1.00 0.00 ? 37 SER A C 33 ATOM 46026 O O . SER A 1 37 ? 25.250 5.146 2.599 1.00 0.00 ? 37 SER A O 33 ATOM 46027 C CB . SER A 1 37 ? 23.065 3.903 4.568 1.00 0.00 ? 37 SER A CB 33 ATOM 46028 O OG . SER A 1 37 ? 23.727 4.091 5.806 1.00 0.00 ? 37 SER A OG 33 ATOM 46029 H H . SER A 1 37 ? 21.065 4.889 3.314 1.00 0.00 ? 37 SER A H 33 ATOM 46030 H HA . SER A 1 37 ? 23.523 5.978 4.311 1.00 0.00 ? 37 SER A HA 33 ATOM 46031 H HB2 . SER A 1 37 ? 22.034 3.650 4.761 1.00 0.00 ? 37 SER A HB2 33 ATOM 46032 H HB3 . SER A 1 37 ? 23.542 3.092 4.038 1.00 0.00 ? 37 SER A HB3 33 ATOM 46033 H HG . SER A 1 37 ? 24.060 3.247 6.123 1.00 0.00 ? 37 SER A HG 33 ATOM 46034 N N . GLU A 1 38 ? 23.448 4.540 1.394 1.00 0.00 ? 38 GLU A N 33 ATOM 46035 C CA . GLU A 1 38 ? 24.212 4.293 0.176 1.00 0.00 ? 38 GLU A CA 33 ATOM 46036 C C . GLU A 1 38 ? 24.620 5.606 -0.483 1.00 0.00 ? 38 GLU A C 33 ATOM 46037 O O . GLU A 1 38 ? 25.644 5.681 -1.161 1.00 0.00 ? 38 GLU A O 33 ATOM 46038 C CB . GLU A 1 38 ? 23.393 3.451 -0.803 1.00 0.00 ? 38 GLU A CB 33 ATOM 46039 C CG . GLU A 1 38 ? 24.135 2.231 -1.325 1.00 0.00 ? 38 GLU A CG 33 ATOM 46040 C CD . GLU A 1 38 ? 24.473 2.340 -2.798 1.00 0.00 ? 38 GLU A CD 33 ATOM 46041 O OE1 . GLU A 1 38 ? 25.295 3.209 -3.157 1.00 0.00 ? 38 GLU A OE1 33 ATOM 46042 O OE2 . GLU A 1 38 ? 23.916 1.556 -3.595 1.00 0.00 ? 38 GLU A OE2 33 ATOM 46043 H H . GLU A 1 38 ? 22.478 4.401 1.387 1.00 0.00 ? 38 GLU A H 33 ATOM 46044 H HA . GLU A 1 38 ? 25.104 3.748 0.448 1.00 0.00 ? 38 GLU A HA 33 ATOM 46045 H HB2 . GLU A 1 38 ? 22.495 3.114 -0.307 1.00 0.00 ? 38 GLU A HB2 33 ATOM 46046 H HB3 . GLU A 1 38 ? 23.118 4.066 -1.647 1.00 0.00 ? 38 GLU A HB3 33 ATOM 46047 H HG2 . GLU A 1 38 ? 25.054 2.119 -0.768 1.00 0.00 ? 38 GLU A HG2 33 ATOM 46048 H HG3 . GLU A 1 38 ? 23.516 1.358 -1.175 1.00 0.00 ? 38 GLU A HG3 33 ATOM 46049 N N . ASP A 1 39 ? 23.809 6.641 -0.279 1.00 0.00 ? 39 ASP A N 33 ATOM 46050 C CA . ASP A 1 39 ? 24.085 7.953 -0.854 1.00 0.00 ? 39 ASP A CA 33 ATOM 46051 C C . ASP A 1 39 ? 25.270 8.613 -0.156 1.00 0.00 ? 39 ASP A C 33 ATOM 46052 O O . ASP A 1 39 ? 25.974 9.430 -0.749 1.00 0.00 ? 39 ASP A O 33 ATOM 46053 C CB . ASP A 1 39 ? 22.851 8.849 -0.745 1.00 0.00 ? 39 ASP A CB 33 ATOM 46054 C CG . ASP A 1 39 ? 22.881 9.998 -1.734 1.00 0.00 ? 39 ASP A CG 33 ATOM 46055 O OD1 . ASP A 1 39 ? 23.934 10.661 -1.842 1.00 0.00 ? 39 ASP A OD1 33 ATOM 46056 O OD2 . ASP A 1 39 ? 21.852 10.235 -2.401 1.00 0.00 ? 39 ASP A OD2 33 ATOM 46057 H H . ASP A 1 39 ? 23.007 6.519 0.271 1.00 0.00 ? 39 ASP A H 33 ATOM 46058 H HA . ASP A 1 39 ? 24.328 7.813 -1.897 1.00 0.00 ? 39 ASP A HA 33 ATOM 46059 H HB2 . ASP A 1 39 ? 21.966 8.258 -0.936 1.00 0.00 ? 39 ASP A HB2 33 ATOM 46060 H HB3 . ASP A 1 39 ? 22.797 9.258 0.253 1.00 0.00 ? 39 ASP A HB3 33 ATOM 46061 N N . ASP A 1 40 ? 25.486 8.252 1.104 1.00 0.00 ? 40 ASP A N 33 ATOM 46062 C CA . ASP A 1 40 ? 26.585 8.809 1.882 1.00 0.00 ? 40 ASP A CA 33 ATOM 46063 C C . ASP A 1 40 ? 26.347 10.285 2.183 1.00 0.00 ? 40 ASP A C 33 ATOM 46064 O O . ASP A 1 40 ? 25.344 10.861 1.761 1.00 0.00 ? 40 ASP A O 33 ATOM 46065 C CB . ASP A 1 40 ? 27.907 8.638 1.129 1.00 0.00 ? 40 ASP A CB 33 ATOM 46066 C CG . ASP A 1 40 ? 28.783 7.561 1.736 1.00 0.00 ? 40 ASP A CG 33 ATOM 46067 O OD1 . ASP A 1 40 ? 28.451 6.367 1.578 1.00 0.00 ? 40 ASP A OD1 33 ATOM 46068 O OD2 . ASP A 1 40 ? 29.801 7.910 2.371 1.00 0.00 ? 40 ASP A OD2 33 ATOM 46069 H H . ASP A 1 40 ? 24.889 7.595 1.522 1.00 0.00 ? 40 ASP A H 33 ATOM 46070 H HA . ASP A 1 40 ? 26.640 8.269 2.814 1.00 0.00 ? 40 ASP A HA 33 ATOM 46071 H HB2 . ASP A 1 40 ? 27.698 8.371 0.104 1.00 0.00 ? 40 ASP A HB2 33 ATOM 46072 H HB3 . ASP A 1 40 ? 28.449 9.573 1.149 1.00 0.00 ? 40 ASP A HB3 33 ATOM 46073 N N . ASP A 1 41 ? 27.275 10.893 2.915 1.00 0.00 ? 41 ASP A N 33 ATOM 46074 C CA . ASP A 1 41 ? 27.166 12.302 3.272 1.00 0.00 ? 41 ASP A CA 33 ATOM 46075 C C . ASP A 1 41 ? 28.540 12.901 3.553 1.00 0.00 ? 41 ASP A C 33 ATOM 46076 O O . ASP A 1 41 ? 29.190 13.366 2.593 1.00 0.00 ? 41 ASP A O 33 ATOM 46077 C CB . ASP A 1 41 ? 26.263 12.471 4.495 1.00 0.00 ? 41 ASP A CB 33 ATOM 46078 C CG . ASP A 1 41 ? 25.000 11.638 4.402 1.00 0.00 ? 41 ASP A CG 33 ATOM 46079 O OD1 . ASP A 1 41 ? 24.125 11.976 3.577 1.00 0.00 ? 41 ASP A OD1 33 ATOM 46080 O OD2 . ASP A 1 41 ? 24.887 10.646 5.153 1.00 0.00 ? 41 ASP A OD2 33 ATOM 46081 O OXT . ASP A 1 41 ? 28.955 12.900 4.731 1.00 0.00 ? 41 ASP A OXT 33 ATOM 46082 H H . ASP A 1 41 ? 28.052 10.381 3.221 1.00 0.00 ? 41 ASP A H 33 ATOM 46083 H HA . ASP A 1 41 ? 26.724 12.822 2.435 1.00 0.00 ? 41 ASP A HA 33 ATOM 46084 H HB2 . ASP A 1 41 ? 26.805 12.171 5.380 1.00 0.00 ? 41 ASP A HB2 33 ATOM 46085 H HB3 . ASP A 1 41 ? 25.981 13.510 4.586 1.00 0.00 ? 41 ASP A HB3 33 ATOM 46086 N N . ALA B 1 1 ? 34.150 -9.894 -0.715 1.00 0.00 ? 1 ALA B N 33 ATOM 46087 C CA . ALA B 1 1 ? 32.835 -9.421 -0.211 1.00 0.00 ? 1 ALA B CA 33 ATOM 46088 C C . ALA B 1 1 ? 32.394 -8.155 -0.938 1.00 0.00 ? 1 ALA B C 33 ATOM 46089 O O . ALA B 1 1 ? 32.806 -7.050 -0.586 1.00 0.00 ? 1 ALA B O 33 ATOM 46090 C CB . ALA B 1 1 ? 32.903 -9.172 1.287 1.00 0.00 ? 1 ALA B CB 33 ATOM 46091 H H1 . ALA B 1 1 ? 34.839 -9.129 -0.571 1.00 0.00 ? 1 ALA B H1 33 ATOM 46092 H H2 . ALA B 1 1 ? 34.413 -10.739 -0.170 1.00 0.00 ? 1 ALA B H2 33 ATOM 46093 H H3 . ALA B 1 1 ? 34.041 -10.116 -1.725 1.00 0.00 ? 1 ALA B H3 33 ATOM 46094 H HA . ALA B 1 1 ? 32.104 -10.197 -0.389 1.00 0.00 ? 1 ALA B HA 33 ATOM 46095 H HB1 . ALA B 1 1 ? 33.555 -8.333 1.484 1.00 0.00 ? 1 ALA B HB1 33 ATOM 46096 H HB2 . ALA B 1 1 ? 33.289 -10.051 1.781 1.00 0.00 ? 1 ALA B HB2 33 ATOM 46097 H HB3 . ALA B 1 1 ? 31.913 -8.953 1.661 1.00 0.00 ? 1 ALA B HB3 33 ATOM 46098 N N . LEU B 1 2 ? 31.554 -8.324 -1.955 1.00 0.00 ? 2 LEU B N 33 ATOM 46099 C CA . LEU B 1 2 ? 31.057 -7.195 -2.731 1.00 0.00 ? 2 LEU B CA 33 ATOM 46100 C C . LEU B 1 2 ? 29.859 -6.546 -2.044 1.00 0.00 ? 2 LEU B C 33 ATOM 46101 O O . LEU B 1 2 ? 29.133 -7.200 -1.296 1.00 0.00 ? 2 LEU B O 33 ATOM 46102 C CB . LEU B 1 2 ? 30.668 -7.648 -4.139 1.00 0.00 ? 2 LEU B CB 33 ATOM 46103 C CG . LEU B 1 2 ? 31.811 -8.233 -4.971 1.00 0.00 ? 2 LEU B CG 33 ATOM 46104 C CD1 . LEU B 1 2 ? 32.281 -9.552 -4.378 1.00 0.00 ? 2 LEU B CD1 33 ATOM 46105 C CD2 . LEU B 1 2 ? 31.375 -8.422 -6.417 1.00 0.00 ? 2 LEU B CD2 33 ATOM 46106 H H . LEU B 1 2 ? 31.262 -9.230 -2.187 1.00 0.00 ? 2 LEU B H 33 ATOM 46107 H HA . LEU B 1 2 ? 31.852 -6.467 -2.804 1.00 0.00 ? 2 LEU B HA 33 ATOM 46108 H HB2 . LEU B 1 2 ? 29.894 -8.397 -4.052 1.00 0.00 ? 2 LEU B HB2 33 ATOM 46109 H HB3 . LEU B 1 2 ? 30.265 -6.799 -4.670 1.00 0.00 ? 2 LEU B HB3 33 ATOM 46110 H HG . LEU B 1 2 ? 32.644 -7.546 -4.958 1.00 0.00 ? 2 LEU B HG 33 ATOM 46111 H HD11 . LEU B 1 2 ? 31.426 -10.138 -4.078 1.00 0.00 ? 2 LEU B HD11 33 ATOM 46112 H HD12 . LEU B 1 2 ? 32.849 -10.097 -5.117 1.00 0.00 ? 2 LEU B HD12 33 ATOM 46113 H HD13 . LEU B 1 2 ? 32.904 -9.358 -3.517 1.00 0.00 ? 2 LEU B HD13 33 ATOM 46114 H HD21 . LEU B 1 2 ? 30.414 -8.914 -6.441 1.00 0.00 ? 2 LEU B HD21 33 ATOM 46115 H HD22 . LEU B 1 2 ? 31.299 -7.458 -6.898 1.00 0.00 ? 2 LEU B HD22 33 ATOM 46116 H HD23 . LEU B 1 2 ? 32.103 -9.027 -6.935 1.00 0.00 ? 2 LEU B HD23 33 ATOM 46117 N N . LYS B 1 3 ? 29.660 -5.259 -2.304 1.00 0.00 ? 3 LYS B N 33 ATOM 46118 C CA . LYS B 1 3 ? 28.549 -4.523 -1.712 1.00 0.00 ? 3 LYS B CA 33 ATOM 46119 C C . LYS B 1 3 ? 27.447 -4.279 -2.737 1.00 0.00 ? 3 LYS B C 33 ATOM 46120 O O . LYS B 1 3 ? 26.668 -3.335 -2.613 1.00 0.00 ? 3 LYS B O 33 ATOM 46121 C CB . LYS B 1 3 ? 29.038 -3.189 -1.144 1.00 0.00 ? 3 LYS B CB 33 ATOM 46122 C CG . LYS B 1 3 ? 29.302 -3.225 0.352 1.00 0.00 ? 3 LYS B CG 33 ATOM 46123 C CD . LYS B 1 3 ? 30.693 -3.755 0.660 1.00 0.00 ? 3 LYS B CD 33 ATOM 46124 C CE . LYS B 1 3 ? 30.646 -4.883 1.678 1.00 0.00 ? 3 LYS B CE 33 ATOM 46125 N NZ . LYS B 1 3 ? 31.544 -4.623 2.837 1.00 0.00 ? 3 LYS B NZ 33 ATOM 46126 H H . LYS B 1 3 ? 30.273 -4.793 -2.910 1.00 0.00 ? 3 LYS B H 33 ATOM 46127 H HA . LYS B 1 3 ? 28.148 -5.121 -0.907 1.00 0.00 ? 3 LYS B HA 33 ATOM 46128 H HB2 . LYS B 1 3 ? 29.956 -2.914 -1.643 1.00 0.00 ? 3 LYS B HB2 33 ATOM 46129 H HB3 . LYS B 1 3 ? 28.292 -2.433 -1.339 1.00 0.00 ? 3 LYS B HB3 33 ATOM 46130 H HG2 . LYS B 1 3 ? 29.214 -2.224 0.748 1.00 0.00 ? 3 LYS B HG2 33 ATOM 46131 H HG3 . LYS B 1 3 ? 28.570 -3.866 0.822 1.00 0.00 ? 3 LYS B HG3 33 ATOM 46132 H HD2 . LYS B 1 3 ? 31.136 -4.126 -0.252 1.00 0.00 ? 3 LYS B HD2 33 ATOM 46133 H HD3 . LYS B 1 3 ? 31.295 -2.951 1.055 1.00 0.00 ? 3 LYS B HD3 33 ATOM 46134 H HE2 . LYS B 1 3 ? 29.633 -4.986 2.037 1.00 0.00 ? 3 LYS B HE2 33 ATOM 46135 H HE3 . LYS B 1 3 ? 30.951 -5.800 1.195 1.00 0.00 ? 3 LYS B HE3 33 ATOM 46136 H HZ1 . LYS B 1 3 ? 31.495 -3.620 3.110 1.00 0.00 ? 3 LYS B HZ1 33 ATOM 46137 H HZ2 . LYS B 1 3 ? 31.258 -5.206 3.649 1.00 0.00 ? 3 LYS B HZ2 33 ATOM 46138 H HZ3 . LYS B 1 3 ? 32.527 -4.855 2.587 1.00 0.00 ? 3 LYS B HZ3 33 ATOM 46139 N N . LYS B 1 4 ? 27.387 -5.138 -3.750 1.00 0.00 ? 4 LYS B N 33 ATOM 46140 C CA . LYS B 1 4 ? 26.379 -5.016 -4.797 1.00 0.00 ? 4 LYS B CA 33 ATOM 46141 C C . LYS B 1 4 ? 25.043 -5.589 -4.333 1.00 0.00 ? 4 LYS B C 33 ATOM 46142 O O . LYS B 1 4 ? 23.980 -5.079 -4.688 1.00 0.00 ? 4 LYS B O 33 ATOM 46143 C CB . LYS B 1 4 ? 26.842 -5.732 -6.067 1.00 0.00 ? 4 LYS B CB 33 ATOM 46144 C CG . LYS B 1 4 ? 27.867 -4.947 -6.869 1.00 0.00 ? 4 LYS B CG 33 ATOM 46145 C CD . LYS B 1 4 ? 27.592 -5.035 -8.361 1.00 0.00 ? 4 LYS B CD 33 ATOM 46146 C CE . LYS B 1 4 ? 27.891 -6.425 -8.900 1.00 0.00 ? 4 LYS B CE 33 ATOM 46147 N NZ . LYS B 1 4 ? 26.843 -6.888 -9.853 1.00 0.00 ? 4 LYS B NZ 33 ATOM 46148 H H . LYS B 1 4 ? 28.034 -5.872 -3.795 1.00 0.00 ? 4 LYS B H 33 ATOM 46149 H HA . LYS B 1 4 ? 26.251 -3.966 -5.012 1.00 0.00 ? 4 LYS B HA 33 ATOM 46150 H HB2 . LYS B 1 4 ? 27.281 -6.680 -5.792 1.00 0.00 ? 4 LYS B HB2 33 ATOM 46151 H HB3 . LYS B 1 4 ? 25.984 -5.912 -6.697 1.00 0.00 ? 4 LYS B HB3 33 ATOM 46152 H HG2 . LYS B 1 4 ? 27.828 -3.910 -6.567 1.00 0.00 ? 4 LYS B HG2 33 ATOM 46153 H HG3 . LYS B 1 4 ? 28.850 -5.346 -6.667 1.00 0.00 ? 4 LYS B HG3 33 ATOM 46154 H HD2 . LYS B 1 4 ? 26.552 -4.806 -8.541 1.00 0.00 ? 4 LYS B HD2 33 ATOM 46155 H HD3 . LYS B 1 4 ? 28.216 -4.318 -8.876 1.00 0.00 ? 4 LYS B HD3 33 ATOM 46156 H HE2 . LYS B 1 4 ? 28.843 -6.404 -9.408 1.00 0.00 ? 4 LYS B HE2 33 ATOM 46157 H HE3 . LYS B 1 4 ? 27.941 -7.115 -8.071 1.00 0.00 ? 4 LYS B HE3 33 ATOM 46158 H HZ1 . LYS B 1 4 ? 26.576 -6.113 -10.494 1.00 0.00 ? 4 LYS B HZ1 33 ATOM 46159 H HZ2 . LYS B 1 4 ? 27.203 -7.683 -10.419 1.00 0.00 ? 4 LYS B HZ2 33 ATOM 46160 H HZ3 . LYS B 1 4 ? 25.998 -7.199 -9.332 1.00 0.00 ? 4 LYS B HZ3 33 ATOM 46161 N N . HIS B 1 5 ? 25.106 -6.651 -3.537 1.00 0.00 ? 5 HIS B N 33 ATOM 46162 C CA . HIS B 1 5 ? 23.903 -7.294 -3.023 1.00 0.00 ? 5 HIS B CA 33 ATOM 46163 C C . HIS B 1 5 ? 23.045 -6.303 -2.243 1.00 0.00 ? 5 HIS B C 33 ATOM 46164 O O . HIS B 1 5 ? 21.837 -6.491 -2.102 1.00 0.00 ? 5 HIS B O 33 ATOM 46165 C CB . HIS B 1 5 ? 24.275 -8.479 -2.130 1.00 0.00 ? 5 HIS B CB 33 ATOM 46166 C CG . HIS B 1 5 ? 24.971 -8.079 -0.866 1.00 0.00 ? 5 HIS B CG 33 ATOM 46167 N ND1 . HIS B 1 5 ? 24.851 -8.782 0.316 1.00 0.00 ? 5 HIS B ND1 33 ATOM 46168 C CD2 . HIS B 1 5 ? 25.801 -7.042 -0.600 1.00 0.00 ? 5 HIS B CD2 33 ATOM 46169 C CE1 . HIS B 1 5 ? 25.575 -8.194 1.252 1.00 0.00 ? 5 HIS B CE1 33 ATOM 46170 N NE2 . HIS B 1 5 ? 26.161 -7.137 0.721 1.00 0.00 ? 5 HIS B NE2 33 ATOM 46171 H H . HIS B 1 5 ? 25.984 -7.011 -3.290 1.00 0.00 ? 5 HIS B H 33 ATOM 46172 H HA . HIS B 1 5 ? 23.336 -7.657 -3.867 1.00 0.00 ? 5 HIS B HA 33 ATOM 46173 H HB2 . HIS B 1 5 ? 23.376 -9.012 -1.858 1.00 0.00 ? 5 HIS B HB2 33 ATOM 46174 H HB3 . HIS B 1 5 ? 24.930 -9.141 -2.676 1.00 0.00 ? 5 HIS B HB3 33 ATOM 46175 H HD1 . HIS B 1 5 ? 24.313 -9.590 0.448 1.00 0.00 ? 5 HIS B HD1 33 ATOM 46176 H HD2 . HIS B 1 5 ? 26.119 -6.281 -1.298 1.00 0.00 ? 5 HIS B HD2 33 ATOM 46177 H HE1 . HIS B 1 5 ? 25.672 -8.523 2.276 1.00 0.00 ? 5 HIS B HE1 33 ATOM 46178 H HE2 . HIS B 1 5 ? 26.757 -6.522 1.197 1.00 0.00 ? 5 HIS B HE2 33 ATOM 46179 N N . HIS B 1 6 ? 23.676 -5.248 -1.738 1.00 0.00 ? 6 HIS B N 33 ATOM 46180 C CA . HIS B 1 6 ? 22.969 -4.229 -0.971 1.00 0.00 ? 6 HIS B CA 33 ATOM 46181 C C . HIS B 1 6 ? 21.996 -3.458 -1.856 1.00 0.00 ? 6 HIS B C 33 ATOM 46182 O O . HIS B 1 6 ? 20.807 -3.374 -1.557 1.00 0.00 ? 6 HIS B O 33 ATOM 46183 C CB . HIS B 1 6 ? 23.965 -3.262 -0.326 1.00 0.00 ? 6 HIS B CB 33 ATOM 46184 C CG . HIS B 1 6 ? 24.097 -3.438 1.155 1.00 0.00 ? 6 HIS B CG 33 ATOM 46185 N ND1 . HIS B 1 6 ? 24.131 -4.673 1.767 1.00 0.00 ? 6 HIS B ND1 33 ATOM 46186 C CD2 . HIS B 1 6 ? 24.206 -2.525 2.149 1.00 0.00 ? 6 HIS B CD2 33 ATOM 46187 C CE1 . HIS B 1 6 ? 24.254 -4.513 3.072 1.00 0.00 ? 6 HIS B CE1 33 ATOM 46188 N NE2 . HIS B 1 6 ? 24.302 -3.220 3.330 1.00 0.00 ? 6 HIS B NE2 33 ATOM 46189 H H . HIS B 1 6 ? 24.641 -5.152 -1.882 1.00 0.00 ? 6 HIS B H 33 ATOM 46190 H HA . HIS B 1 6 ? 22.408 -4.727 -0.194 1.00 0.00 ? 6 HIS B HA 33 ATOM 46191 H HB2 . HIS B 1 6 ? 24.939 -3.414 -0.766 1.00 0.00 ? 6 HIS B HB2 33 ATOM 46192 H HB3 . HIS B 1 6 ? 23.644 -2.248 -0.514 1.00 0.00 ? 6 HIS B HB3 33 ATOM 46193 H HD1 . HIS B 1 6 ? 24.072 -5.540 1.311 1.00 0.00 ? 6 HIS B HD1 33 ATOM 46194 H HD2 . HIS B 1 6 ? 24.215 -1.449 2.034 1.00 0.00 ? 6 HIS B HD2 33 ATOM 46195 H HE1 . HIS B 1 6 ? 24.308 -5.306 3.804 1.00 0.00 ? 6 HIS B HE1 33 ATOM 46196 H HE2 . HIS B 1 6 ? 24.392 -2.821 4.220 1.00 0.00 ? 6 HIS B HE2 33 ATOM 46197 N N . GLU B 1 7 ? 22.509 -2.894 -2.944 1.00 0.00 ? 7 GLU B N 33 ATOM 46198 C CA . GLU B 1 7 ? 21.680 -2.131 -3.869 1.00 0.00 ? 7 GLU B CA 33 ATOM 46199 C C . GLU B 1 7 ? 20.566 -2.999 -4.445 1.00 0.00 ? 7 GLU B C 33 ATOM 46200 O O . GLU B 1 7 ? 19.518 -2.495 -4.847 1.00 0.00 ? 7 GLU B O 33 ATOM 46201 C CB . GLU B 1 7 ? 22.534 -1.556 -5.001 1.00 0.00 ? 7 GLU B CB 33 ATOM 46202 C CG . GLU B 1 7 ? 22.206 -0.109 -5.335 1.00 0.00 ? 7 GLU B CG 33 ATOM 46203 C CD . GLU B 1 7 ? 21.389 0.024 -6.605 1.00 0.00 ? 7 GLU B CD 33 ATOM 46204 O OE1 . GLU B 1 7 ? 20.238 -0.463 -6.625 1.00 0.00 ? 7 GLU B OE1 33 ATOM 46205 O OE2 . GLU B 1 7 ? 21.898 0.616 -7.580 1.00 0.00 ? 7 GLU B OE2 33 ATOM 46206 H H . GLU B 1 7 ? 23.466 -2.995 -3.130 1.00 0.00 ? 7 GLU B H 33 ATOM 46207 H HA . GLU B 1 7 ? 21.233 -1.318 -3.317 1.00 0.00 ? 7 GLU B HA 33 ATOM 46208 H HB2 . GLU B 1 7 ? 23.574 -1.610 -4.715 1.00 0.00 ? 7 GLU B HB2 33 ATOM 46209 H HB3 . GLU B 1 7 ? 22.382 -2.151 -5.889 1.00 0.00 ? 7 GLU B HB3 33 ATOM 46210 H HG2 . GLU B 1 7 ? 21.645 0.318 -4.518 1.00 0.00 ? 7 GLU B HG2 33 ATOM 46211 H HG3 . GLU B 1 7 ? 23.130 0.436 -5.460 1.00 0.00 ? 7 GLU B HG3 33 ATOM 46212 N N . ASN B 1 8 ? 20.800 -4.306 -4.479 1.00 0.00 ? 8 ASN B N 33 ATOM 46213 C CA . ASN B 1 8 ? 19.814 -5.243 -5.001 1.00 0.00 ? 8 ASN B CA 33 ATOM 46214 C C . ASN B 1 8 ? 18.634 -5.367 -4.042 1.00 0.00 ? 8 ASN B C 33 ATOM 46215 O O . ASN B 1 8 ? 17.474 -5.296 -4.452 1.00 0.00 ? 8 ASN B O 33 ATOM 46216 C CB . ASN B 1 8 ? 20.451 -6.615 -5.227 1.00 0.00 ? 8 ASN B CB 33 ATOM 46217 C CG . ASN B 1 8 ? 20.309 -7.088 -6.661 1.00 0.00 ? 8 ASN B CG 33 ATOM 46218 O OD1 . ASN B 1 8 ? 19.235 -6.987 -7.256 1.00 0.00 ? 8 ASN B OD1 33 ATOM 46219 N ND2 . ASN B 1 8 ? 21.394 -7.608 -7.223 1.00 0.00 ? 8 ASN B ND2 33 ATOM 46220 H H . ASN B 1 8 ? 21.654 -4.649 -4.141 1.00 0.00 ? 8 ASN B H 33 ATOM 46221 H HA . ASN B 1 8 ? 19.457 -4.858 -5.944 1.00 0.00 ? 8 ASN B HA 33 ATOM 46222 H HB2 . ASN B 1 8 ? 21.502 -6.561 -4.989 1.00 0.00 ? 8 ASN B HB2 33 ATOM 46223 H HB3 . ASN B 1 8 ? 19.975 -7.337 -4.580 1.00 0.00 ? 8 ASN B HB3 33 ATOM 46224 H HD21 . ASN B 1 8 ? 22.214 -7.656 -6.688 1.00 0.00 ? 8 ASN B HD21 33 ATOM 46225 H HD22 . ASN B 1 8 ? 21.330 -7.922 -8.149 1.00 0.00 ? 8 ASN B HD22 33 ATOM 46226 N N . GLU B 1 9 ? 18.940 -5.549 -2.761 1.00 0.00 ? 9 GLU B N 33 ATOM 46227 C CA . GLU B 1 9 ? 17.904 -5.678 -1.744 1.00 0.00 ? 9 GLU B CA 33 ATOM 46228 C C . GLU B 1 9 ? 17.044 -4.425 -1.692 1.00 0.00 ? 9 GLU B C 33 ATOM 46229 O O . GLU B 1 9 ? 15.821 -4.506 -1.580 1.00 0.00 ? 9 GLU B O 33 ATOM 46230 C CB . GLU B 1 9 ? 18.531 -5.944 -0.375 1.00 0.00 ? 9 GLU B CB 33 ATOM 46231 C CG . GLU B 1 9 ? 17.591 -6.629 0.603 1.00 0.00 ? 9 GLU B CG 33 ATOM 46232 C CD . GLU B 1 9 ? 17.497 -8.125 0.369 1.00 0.00 ? 9 GLU B CD 33 ATOM 46233 O OE1 . GLU B 1 9 ? 18.458 -8.842 0.719 1.00 0.00 ? 9 GLU B OE1 33 ATOM 46234 O OE2 . GLU B 1 9 ? 16.461 -8.579 -0.163 1.00 0.00 ? 9 GLU B OE2 33 ATOM 46235 H H . GLU B 1 9 ? 19.882 -5.593 -2.494 1.00 0.00 ? 9 GLU B H 33 ATOM 46236 H HA . GLU B 1 9 ? 17.278 -6.514 -2.015 1.00 0.00 ? 9 GLU B HA 33 ATOM 46237 H HB2 . GLU B 1 9 ? 19.401 -6.571 -0.504 1.00 0.00 ? 9 GLU B HB2 33 ATOM 46238 H HB3 . GLU B 1 9 ? 18.839 -5.003 0.056 1.00 0.00 ? 9 GLU B HB3 33 ATOM 46239 H HG2 . GLU B 1 9 ? 17.948 -6.459 1.607 1.00 0.00 ? 9 GLU B HG2 33 ATOM 46240 H HG3 . GLU B 1 9 ? 16.605 -6.200 0.495 1.00 0.00 ? 9 GLU B HG3 33 ATOM 46241 N N . ILE B 1 10 ? 17.684 -3.264 -1.781 1.00 0.00 ? 10 ILE B N 33 ATOM 46242 C CA . ILE B 1 10 ? 16.957 -2.008 -1.750 1.00 0.00 ? 10 ILE B CA 33 ATOM 46243 C C . ILE B 1 10 ? 16.170 -1.816 -3.040 1.00 0.00 ? 10 ILE B C 33 ATOM 46244 O O . ILE B 1 10 ? 15.162 -1.123 -3.064 1.00 0.00 ? 10 ILE B O 33 ATOM 46245 C CB . ILE B 1 10 ? 17.892 -0.803 -1.504 1.00 0.00 ? 10 ILE B CB 33 ATOM 46246 C CG1 . ILE B 1 10 ? 18.695 -0.443 -2.754 1.00 0.00 ? 10 ILE B CG1 33 ATOM 46247 C CG2 . ILE B 1 10 ? 18.834 -1.103 -0.352 1.00 0.00 ? 10 ILE B CG2 33 ATOM 46248 C CD1 . ILE B 1 10 ? 19.606 0.747 -2.546 1.00 0.00 ? 10 ILE B CD1 33 ATOM 46249 H H . ILE B 1 10 ? 18.660 -3.254 -1.876 1.00 0.00 ? 10 ILE B H 33 ATOM 46250 H HA . ILE B 1 10 ? 16.257 -2.060 -0.929 1.00 0.00 ? 10 ILE B HA 33 ATOM 46251 H HB . ILE B 1 10 ? 17.282 0.042 -1.222 1.00 0.00 ? 10 ILE B HB 33 ATOM 46252 H HG12 . ILE B 1 10 ? 19.307 -1.285 -3.039 1.00 0.00 ? 10 ILE B HG12 33 ATOM 46253 H HG13 . ILE B 1 10 ? 18.014 -0.206 -3.559 1.00 0.00 ? 10 ILE B HG13 33 ATOM 46254 H HG21 . ILE B 1 10 ? 18.260 -1.310 0.537 1.00 0.00 ? 10 ILE B HG21 33 ATOM 46255 H HG22 . ILE B 1 10 ? 19.441 -1.960 -0.597 1.00 0.00 ? 10 ILE B HG22 33 ATOM 46256 H HG23 . ILE B 1 10 ? 19.471 -0.248 -0.181 1.00 0.00 ? 10 ILE B HG23 33 ATOM 46257 H HD11 . ILE B 1 10 ? 19.448 1.150 -1.553 1.00 0.00 ? 10 ILE B HD11 33 ATOM 46258 H HD12 . ILE B 1 10 ? 20.634 0.436 -2.650 1.00 0.00 ? 10 ILE B HD12 33 ATOM 46259 H HD13 . ILE B 1 10 ? 19.381 1.506 -3.282 1.00 0.00 ? 10 ILE B HD13 33 ATOM 46260 N N . SER B 1 11 ? 16.622 -2.453 -4.111 1.00 0.00 ? 11 SER B N 33 ATOM 46261 C CA . SER B 1 11 ? 15.927 -2.354 -5.385 1.00 0.00 ? 11 SER B CA 33 ATOM 46262 C C . SER B 1 11 ? 14.547 -2.987 -5.266 1.00 0.00 ? 11 SER B C 33 ATOM 46263 O O . SER B 1 11 ? 13.557 -2.464 -5.790 1.00 0.00 ? 11 SER B O 33 ATOM 46264 C CB . SER B 1 11 ? 16.731 -3.041 -6.490 1.00 0.00 ? 11 SER B CB 33 ATOM 46265 O OG . SER B 1 11 ? 16.432 -2.484 -7.760 1.00 0.00 ? 11 SER B OG 33 ATOM 46266 H H . SER B 1 11 ? 17.424 -3.010 -4.040 1.00 0.00 ? 11 SER B H 33 ATOM 46267 H HA . SER B 1 11 ? 15.813 -1.306 -5.623 1.00 0.00 ? 11 SER B HA 33 ATOM 46268 H HB2 . SER B 1 11 ? 17.786 -2.915 -6.297 1.00 0.00 ? 11 SER B HB2 33 ATOM 46269 H HB3 . SER B 1 11 ? 16.491 -4.094 -6.507 1.00 0.00 ? 11 SER B HB3 33 ATOM 46270 H HG . SER B 1 11 ? 17.239 -2.158 -8.165 1.00 0.00 ? 11 SER B HG 33 ATOM 46271 N N . HIS B 1 12 ? 14.484 -4.113 -4.559 1.00 0.00 ? 12 HIS B N 33 ATOM 46272 C CA . HIS B 1 12 ? 13.228 -4.813 -4.357 1.00 0.00 ? 12 HIS B CA 33 ATOM 46273 C C . HIS B 1 12 ? 12.345 -4.037 -3.373 1.00 0.00 ? 12 HIS B C 33 ATOM 46274 O O . HIS B 1 12 ? 11.121 -4.039 -3.496 1.00 0.00 ? 12 HIS B O 33 ATOM 46275 C CB . HIS B 1 12 ? 13.511 -6.261 -3.894 1.00 0.00 ? 12 HIS B CB 33 ATOM 46276 C CG . HIS B 1 12 ? 12.649 -6.769 -2.774 1.00 0.00 ? 12 HIS B CG 33 ATOM 46277 N ND1 . HIS B 1 12 ? 11.437 -7.398 -2.975 1.00 0.00 ? 12 HIS B ND1 33 ATOM 46278 C CD2 . HIS B 1 12 ? 12.836 -6.737 -1.436 1.00 0.00 ? 12 HIS B CD2 33 ATOM 46279 C CE1 . HIS B 1 12 ? 10.917 -7.728 -1.806 1.00 0.00 ? 12 HIS B CE1 33 ATOM 46280 N NE2 . HIS B 1 12 ? 11.747 -7.339 -0.857 1.00 0.00 ? 12 HIS B NE2 33 ATOM 46281 H H . HIS B 1 12 ? 15.306 -4.476 -4.155 1.00 0.00 ? 12 HIS B H 33 ATOM 46282 H HA . HIS B 1 12 ? 12.721 -4.847 -5.311 1.00 0.00 ? 12 HIS B HA 33 ATOM 46283 H HB2 . HIS B 1 12 ? 13.373 -6.925 -4.731 1.00 0.00 ? 12 HIS B HB2 33 ATOM 46284 H HB3 . HIS B 1 12 ? 14.540 -6.323 -3.569 1.00 0.00 ? 12 HIS B HB3 33 ATOM 46285 H HD1 . HIS B 1 12 ? 11.021 -7.573 -3.844 1.00 0.00 ? 12 HIS B HD1 33 ATOM 46286 H HD2 . HIS B 1 12 ? 13.687 -6.313 -0.922 1.00 0.00 ? 12 HIS B HD2 33 ATOM 46287 H HE1 . HIS B 1 12 ? 9.974 -8.233 -1.653 1.00 0.00 ? 12 HIS B HE1 33 ATOM 46288 H HE2 . HIS B 1 12 ? 11.606 -7.461 0.106 1.00 0.00 ? 12 HIS B HE2 33 ATOM 46289 N N . HIS B 1 13 ? 12.971 -3.369 -2.405 1.00 0.00 ? 13 HIS B N 33 ATOM 46290 C CA . HIS B 1 13 ? 12.222 -2.589 -1.425 1.00 0.00 ? 13 HIS B CA 33 ATOM 46291 C C . HIS B 1 13 ? 11.573 -1.383 -2.084 1.00 0.00 ? 13 HIS B C 33 ATOM 46292 O O . HIS B 1 13 ? 10.523 -0.926 -1.649 1.00 0.00 ? 13 HIS B O 33 ATOM 46293 C CB . HIS B 1 13 ? 13.121 -2.102 -0.293 1.00 0.00 ? 13 HIS B CB 33 ATOM 46294 C CG . HIS B 1 13 ? 13.933 -3.169 0.356 1.00 0.00 ? 13 HIS B CG 33 ATOM 46295 N ND1 . HIS B 1 13 ? 13.534 -4.486 0.448 1.00 0.00 ? 13 HIS B ND1 33 ATOM 46296 C CD2 . HIS B 1 13 ? 15.135 -3.096 0.960 1.00 0.00 ? 13 HIS B CD2 33 ATOM 46297 C CE1 . HIS B 1 13 ? 14.464 -5.178 1.085 1.00 0.00 ? 13 HIS B CE1 33 ATOM 46298 N NE2 . HIS B 1 13 ? 15.447 -4.356 1.405 1.00 0.00 ? 13 HIS B NE2 33 ATOM 46299 H H . HIS B 1 13 ? 13.951 -3.393 -2.353 1.00 0.00 ? 13 HIS B H 33 ATOM 46300 H HA . HIS B 1 13 ? 11.450 -3.222 -1.015 1.00 0.00 ? 13 HIS B HA 33 ATOM 46301 H HB2 . HIS B 1 13 ? 13.806 -1.364 -0.682 1.00 0.00 ? 13 HIS B HB2 33 ATOM 46302 H HB3 . HIS B 1 13 ? 12.507 -1.644 0.468 1.00 0.00 ? 13 HIS B HB3 33 ATOM 46303 H HD1 . HIS B 1 13 ? 12.696 -4.856 0.102 1.00 0.00 ? 13 HIS B HD1 33 ATOM 46304 H HD2 . HIS B 1 13 ? 15.734 -2.203 1.069 1.00 0.00 ? 13 HIS B HD2 33 ATOM 46305 H HE1 . HIS B 1 13 ? 14.426 -6.235 1.304 1.00 0.00 ? 13 HIS B HE1 33 ATOM 46306 H HE2 . HIS B 1 13 ? 16.263 -4.608 1.883 1.00 0.00 ? 13 HIS B HE2 33 ATOM 46307 N N . ALA B 1 14 ? 12.206 -0.867 -3.133 1.00 0.00 ? 14 ALA B N 33 ATOM 46308 C CA . ALA B 1 14 ? 11.679 0.290 -3.841 1.00 0.00 ? 14 ALA B CA 33 ATOM 46309 C C . ALA B 1 14 ? 10.422 -0.089 -4.604 1.00 0.00 ? 14 ALA B C 33 ATOM 46310 O O . ALA B 1 14 ? 9.374 0.535 -4.441 1.00 0.00 ? 14 ALA B O 33 ATOM 46311 C CB . ALA B 1 14 ? 12.727 0.863 -4.784 1.00 0.00 ? 14 ALA B CB 33 ATOM 46312 H H . ALA B 1 14 ? 13.044 -1.273 -3.435 1.00 0.00 ? 14 ALA B H 33 ATOM 46313 H HA . ALA B 1 14 ? 11.427 1.047 -3.108 1.00 0.00 ? 14 ALA B HA 33 ATOM 46314 H HB1 . ALA B 1 14 ? 13.031 0.103 -5.488 1.00 0.00 ? 14 ALA B HB1 33 ATOM 46315 H HB2 . ALA B 1 14 ? 13.584 1.190 -4.213 1.00 0.00 ? 14 ALA B HB2 33 ATOM 46316 H HB3 . ALA B 1 14 ? 12.310 1.703 -5.318 1.00 0.00 ? 14 ALA B HB3 33 ATOM 46317 N N . LYS B 1 15 ? 10.523 -1.129 -5.423 1.00 0.00 ? 15 LYS B N 33 ATOM 46318 C CA . LYS B 1 15 ? 9.373 -1.593 -6.183 1.00 0.00 ? 15 LYS B CA 33 ATOM 46319 C C . LYS B 1 15 ? 8.281 -2.085 -5.237 1.00 0.00 ? 15 LYS B C 33 ATOM 46320 O O . LYS B 1 15 ? 7.106 -2.136 -5.600 1.00 0.00 ? 15 LYS B O 33 ATOM 46321 C CB . LYS B 1 15 ? 9.781 -2.710 -7.145 1.00 0.00 ? 15 LYS B CB 33 ATOM 46322 C CG . LYS B 1 15 ? 9.661 -2.326 -8.611 1.00 0.00 ? 15 LYS B CG 33 ATOM 46323 C CD . LYS B 1 15 ? 10.578 -3.167 -9.484 1.00 0.00 ? 15 LYS B CD 33 ATOM 46324 C CE . LYS B 1 15 ? 11.487 -2.296 -10.337 1.00 0.00 ? 15 LYS B CE 33 ATOM 46325 N NZ . LYS B 1 15 ? 10.713 -1.439 -11.276 1.00 0.00 ? 15 LYS B NZ 33 ATOM 46326 H H . LYS B 1 15 ? 11.381 -1.602 -5.503 1.00 0.00 ? 15 LYS B H 33 ATOM 46327 H HA . LYS B 1 15 ? 8.991 -0.757 -6.750 1.00 0.00 ? 15 LYS B HA 33 ATOM 46328 H HB2 . LYS B 1 15 ? 10.808 -2.982 -6.950 1.00 0.00 ? 15 LYS B HB2 33 ATOM 46329 H HB3 . LYS B 1 15 ? 9.152 -3.570 -6.968 1.00 0.00 ? 15 LYS B HB3 33 ATOM 46330 H HG2 . LYS B 1 15 ? 8.640 -2.476 -8.930 1.00 0.00 ? 15 LYS B HG2 33 ATOM 46331 H HG3 . LYS B 1 15 ? 9.926 -1.285 -8.722 1.00 0.00 ? 15 LYS B HG3 33 ATOM 46332 H HD2 . LYS B 1 15 ? 11.188 -3.794 -8.850 1.00 0.00 ? 15 LYS B HD2 33 ATOM 46333 H HD3 . LYS B 1 15 ? 9.975 -3.786 -10.133 1.00 0.00 ? 15 LYS B HD3 33 ATOM 46334 H HE2 . LYS B 1 15 ? 12.072 -1.664 -9.687 1.00 0.00 ? 15 LYS B HE2 33 ATOM 46335 H HE3 . LYS B 1 15 ? 12.145 -2.935 -10.906 1.00 0.00 ? 15 LYS B HE3 33 ATOM 46336 H HZ1 . LYS B 1 15 ? 9.704 -1.456 -11.028 1.00 0.00 ? 15 LYS B HZ1 33 ATOM 46337 H HZ2 . LYS B 1 15 ? 11.054 -0.457 -11.227 1.00 0.00 ? 15 LYS B HZ2 33 ATOM 46338 H HZ3 . LYS B 1 15 ? 10.824 -1.785 -12.251 1.00 0.00 ? 15 LYS B HZ3 33 ATOM 46339 N N . GLU B 1 16 ? 8.680 -2.443 -4.016 1.00 0.00 ? 16 GLU B N 33 ATOM 46340 C CA . GLU B 1 16 ? 7.741 -2.926 -3.014 1.00 0.00 ? 16 GLU B CA 33 ATOM 46341 C C . GLU B 1 16 ? 6.907 -1.782 -2.448 1.00 0.00 ? 16 GLU B C 33 ATOM 46342 O O . GLU B 1 16 ? 5.696 -1.919 -2.272 1.00 0.00 ? 16 GLU B O 33 ATOM 46343 C CB . GLU B 1 16 ? 8.491 -3.633 -1.884 1.00 0.00 ? 16 GLU B CB 33 ATOM 46344 C CG . GLU B 1 16 ? 8.631 -5.132 -2.091 1.00 0.00 ? 16 GLU B CG 33 ATOM 46345 C CD . GLU B 1 16 ? 7.302 -5.857 -2.024 1.00 0.00 ? 16 GLU B CD 33 ATOM 46346 O OE1 . GLU B 1 16 ? 6.476 -5.671 -2.943 1.00 0.00 ? 16 GLU B OE1 33 ATOM 46347 O OE2 . GLU B 1 16 ? 7.086 -6.612 -1.052 1.00 0.00 ? 16 GLU B OE2 33 ATOM 46348 H H . GLU B 1 16 ? 9.629 -2.379 -3.784 1.00 0.00 ? 16 GLU B H 33 ATOM 46349 H HA . GLU B 1 16 ? 7.082 -3.634 -3.494 1.00 0.00 ? 16 GLU B HA 33 ATOM 46350 H HB2 . GLU B 1 16 ? 9.480 -3.208 -1.802 1.00 0.00 ? 16 GLU B HB2 33 ATOM 46351 H HB3 . GLU B 1 16 ? 7.959 -3.468 -0.957 1.00 0.00 ? 16 GLU B HB3 33 ATOM 46352 H HG2 . GLU B 1 16 ? 9.070 -5.308 -3.062 1.00 0.00 ? 16 GLU B HG2 33 ATOM 46353 H HG3 . GLU B 1 16 ? 9.281 -5.530 -1.326 1.00 0.00 ? 16 GLU B HG3 33 ATOM 46354 N N . ILE B 1 17 ? 7.551 -0.651 -2.162 1.00 0.00 ? 17 ILE B N 33 ATOM 46355 C CA . ILE B 1 17 ? 6.842 0.499 -1.617 1.00 0.00 ? 17 ILE B CA 33 ATOM 46356 C C . ILE B 1 17 ? 5.879 1.079 -2.656 1.00 0.00 ? 17 ILE B C 33 ATOM 46357 O O . ILE B 1 17 ? 4.750 1.447 -2.333 1.00 0.00 ? 17 ILE B O 33 ATOM 46358 C CB . ILE B 1 17 ? 7.828 1.588 -1.096 1.00 0.00 ? 17 ILE B CB 33 ATOM 46359 C CG1 . ILE B 1 17 ? 8.274 2.547 -2.210 1.00 0.00 ? 17 ILE B CG1 33 ATOM 46360 C CG2 . ILE B 1 17 ? 9.043 0.942 -0.455 1.00 0.00 ? 17 ILE B CG2 33 ATOM 46361 C CD1 . ILE B 1 17 ? 7.273 3.644 -2.502 1.00 0.00 ? 17 ILE B CD1 33 ATOM 46362 H H . ILE B 1 17 ? 8.521 -0.588 -2.320 1.00 0.00 ? 17 ILE B H 33 ATOM 46363 H HA . ILE B 1 17 ? 6.259 0.151 -0.774 1.00 0.00 ? 17 ILE B HA 33 ATOM 46364 H HB . ILE B 1 17 ? 7.322 2.152 -0.327 1.00 0.00 ? 17 ILE B HB 33 ATOM 46365 H HG12 . ILE B 1 17 ? 9.202 3.016 -1.923 1.00 0.00 ? 17 ILE B HG12 33 ATOM 46366 H HG13 . ILE B 1 17 ? 8.427 1.987 -3.119 1.00 0.00 ? 17 ILE B HG13 33 ATOM 46367 H HG21 . ILE B 1 17 ? 8.911 -0.128 -0.424 1.00 0.00 ? 17 ILE B HG21 33 ATOM 46368 H HG22 . ILE B 1 17 ? 9.925 1.179 -1.033 1.00 0.00 ? 17 ILE B HG22 33 ATOM 46369 H HG23 . ILE B 1 17 ? 9.160 1.317 0.549 1.00 0.00 ? 17 ILE B HG23 33 ATOM 46370 H HD11 . ILE B 1 17 ? 6.655 3.807 -1.632 1.00 0.00 ? 17 ILE B HD11 33 ATOM 46371 H HD12 . ILE B 1 17 ? 7.799 4.555 -2.746 1.00 0.00 ? 17 ILE B HD12 33 ATOM 46372 H HD13 . ILE B 1 17 ? 6.651 3.352 -3.335 1.00 0.00 ? 17 ILE B HD13 33 ATOM 46373 N N . GLU B 1 18 ? 6.331 1.142 -3.905 1.00 0.00 ? 18 GLU B N 33 ATOM 46374 C CA . GLU B 1 18 ? 5.507 1.666 -4.987 1.00 0.00 ? 18 GLU B CA 33 ATOM 46375 C C . GLU B 1 18 ? 4.367 0.706 -5.313 1.00 0.00 ? 18 GLU B C 33 ATOM 46376 O O . GLU B 1 18 ? 3.317 1.118 -5.805 1.00 0.00 ? 18 GLU B O 33 ATOM 46377 C CB . GLU B 1 18 ? 6.358 1.907 -6.235 1.00 0.00 ? 18 GLU B CB 33 ATOM 46378 C CG . GLU B 1 18 ? 6.632 3.377 -6.510 1.00 0.00 ? 18 GLU B CG 33 ATOM 46379 C CD . GLU B 1 18 ? 7.090 3.629 -7.932 1.00 0.00 ? 18 GLU B CD 33 ATOM 46380 O OE1 . GLU B 1 18 ? 7.882 2.815 -8.454 1.00 0.00 ? 18 GLU B OE1 33 ATOM 46381 O OE2 . GLU B 1 18 ? 6.658 4.639 -8.526 1.00 0.00 ? 18 GLU B OE2 33 ATOM 46382 H H . GLU B 1 18 ? 7.236 0.821 -4.107 1.00 0.00 ? 18 GLU B H 33 ATOM 46383 H HA . GLU B 1 18 ? 5.088 2.606 -4.661 1.00 0.00 ? 18 GLU B HA 33 ATOM 46384 H HB2 . GLU B 1 18 ? 7.306 1.403 -6.113 1.00 0.00 ? 18 GLU B HB2 33 ATOM 46385 H HB3 . GLU B 1 18 ? 5.848 1.492 -7.091 1.00 0.00 ? 18 GLU B HB3 33 ATOM 46386 H HG2 . GLU B 1 18 ? 5.726 3.938 -6.336 1.00 0.00 ? 18 GLU B HG2 33 ATOM 46387 H HG3 . GLU B 1 18 ? 7.401 3.719 -5.833 1.00 0.00 ? 18 GLU B HG3 33 ATOM 46388 N N . ARG B 1 19 ? 4.583 -0.576 -5.035 1.00 0.00 ? 19 ARG B N 33 ATOM 46389 C CA . ARG B 1 19 ? 3.574 -1.594 -5.299 1.00 0.00 ? 19 ARG B CA 33 ATOM 46390 C C . ARG B 1 19 ? 2.464 -1.550 -4.254 1.00 0.00 ? 19 ARG B C 33 ATOM 46391 O O . ARG B 1 19 ? 1.299 -1.797 -4.564 1.00 0.00 ? 19 ARG B O 33 ATOM 46392 C CB . ARG B 1 19 ? 4.215 -2.983 -5.324 1.00 0.00 ? 19 ARG B CB 33 ATOM 46393 C CG . ARG B 1 19 ? 4.605 -3.449 -6.717 1.00 0.00 ? 19 ARG B CG 33 ATOM 46394 C CD . ARG B 1 19 ? 5.208 -4.844 -6.690 1.00 0.00 ? 19 ARG B CD 33 ATOM 46395 N NE . ARG B 1 19 ? 4.184 -5.884 -6.703 1.00 0.00 ? 19 ARG B NE 33 ATOM 46396 C CZ . ARG B 1 19 ? 3.364 -6.098 -7.728 1.00 0.00 ? 19 ARG B CZ 33 ATOM 46397 N NH1 . ARG B 1 19 ? 3.451 -5.346 -8.817 1.00 0.00 ? 19 ARG B NH1 33 ATOM 46398 N NH2 . ARG B 1 19 ? 2.459 -7.064 -7.664 1.00 0.00 ? 19 ARG B NH2 33 ATOM 46399 H H . ARG B 1 19 ? 5.441 -0.842 -4.645 1.00 0.00 ? 19 ARG B H 33 ATOM 46400 H HA . ARG B 1 19 ? 3.145 -1.388 -6.268 1.00 0.00 ? 19 ARG B HA 33 ATOM 46401 H HB2 . ARG B 1 19 ? 5.104 -2.966 -4.711 1.00 0.00 ? 19 ARG B HB2 33 ATOM 46402 H HB3 . ARG B 1 19 ? 3.516 -3.696 -4.911 1.00 0.00 ? 19 ARG B HB3 33 ATOM 46403 H HG2 . ARG B 1 19 ? 3.724 -3.461 -7.341 1.00 0.00 ? 19 ARG B HG2 33 ATOM 46404 H HG3 . ARG B 1 19 ? 5.329 -2.761 -7.127 1.00 0.00 ? 19 ARG B HG3 33 ATOM 46405 H HD2 . ARG B 1 19 ? 5.841 -4.965 -7.556 1.00 0.00 ? 19 ARG B HD2 33 ATOM 46406 H HD3 . ARG B 1 19 ? 5.802 -4.947 -5.793 1.00 0.00 ? 19 ARG B HD3 33 ATOM 46407 H HE . ARG B 1 19 ? 4.102 -6.451 -5.907 1.00 0.00 ? 19 ARG B HE 33 ATOM 46408 H HH11 . ARG B 1 19 ? 4.134 -4.617 -8.867 1.00 0.00 ? 19 ARG B HH11 33 ATOM 46409 H HH12 . ARG B 1 19 ? 2.836 -5.509 -9.587 1.00 0.00 ? 19 ARG B HH12 33 ATOM 46410 H HH21 . ARG B 1 19 ? 2.391 -7.633 -6.844 1.00 0.00 ? 19 ARG B HH21 33 ATOM 46411 H HH22 . ARG B 1 19 ? 1.844 -7.224 -8.436 1.00 0.00 ? 19 ARG B HH22 33 ATOM 46412 N N . LEU B 1 20 ? 2.830 -1.231 -3.016 1.00 0.00 ? 20 LEU B N 33 ATOM 46413 C CA . LEU B 1 20 ? 1.856 -1.153 -1.936 1.00 0.00 ? 20 LEU B CA 33 ATOM 46414 C C . LEU B 1 20 ? 0.961 0.066 -2.116 1.00 0.00 ? 20 LEU B C 33 ATOM 46415 O O . LEU B 1 20 ? -0.234 0.022 -1.821 1.00 0.00 ? 20 LEU B O 33 ATOM 46416 C CB . LEU B 1 20 ? 2.563 -1.095 -0.582 1.00 0.00 ? 20 LEU B CB 33 ATOM 46417 C CG . LEU B 1 20 ? 2.837 -2.454 0.066 1.00 0.00 ? 20 LEU B CG 33 ATOM 46418 C CD1 . LEU B 1 20 ? 1.553 -3.259 0.178 1.00 0.00 ? 20 LEU B CD1 33 ATOM 46419 C CD2 . LEU B 1 20 ? 3.883 -3.220 -0.731 1.00 0.00 ? 20 LEU B CD2 33 ATOM 46420 H H . LEU B 1 20 ? 3.771 -1.038 -2.826 1.00 0.00 ? 20 LEU B H 33 ATOM 46421 H HA . LEU B 1 20 ? 1.245 -2.042 -1.976 1.00 0.00 ? 20 LEU B HA 33 ATOM 46422 H HB2 . LEU B 1 20 ? 3.506 -0.585 -0.713 1.00 0.00 ? 20 LEU B HB2 33 ATOM 46423 H HB3 . LEU B 1 20 ? 1.952 -0.517 0.096 1.00 0.00 ? 20 LEU B HB3 33 ATOM 46424 H HG . LEU B 1 20 ? 3.223 -2.299 1.063 1.00 0.00 ? 20 LEU B HG 33 ATOM 46425 H HD11 . LEU B 1 20 ? 0.771 -2.636 0.585 1.00 0.00 ? 20 LEU B HD11 33 ATOM 46426 H HD12 . LEU B 1 20 ? 1.261 -3.610 -0.801 1.00 0.00 ? 20 LEU B HD12 33 ATOM 46427 H HD13 . LEU B 1 20 ? 1.714 -4.106 0.830 1.00 0.00 ? 20 LEU B HD13 33 ATOM 46428 H HD21 . LEU B 1 20 ? 3.742 -3.033 -1.785 1.00 0.00 ? 20 LEU B HD21 33 ATOM 46429 H HD22 . LEU B 1 20 ? 4.869 -2.894 -0.437 1.00 0.00 ? 20 LEU B HD22 33 ATOM 46430 H HD23 . LEU B 1 20 ? 3.780 -4.277 -0.535 1.00 0.00 ? 20 LEU B HD23 33 ATOM 46431 N N . GLN B 1 21 ? 1.545 1.152 -2.613 1.00 0.00 ? 21 GLN B N 33 ATOM 46432 C CA . GLN B 1 21 ? 0.796 2.381 -2.843 1.00 0.00 ? 21 GLN B CA 33 ATOM 46433 C C . GLN B 1 21 ? -0.222 2.184 -3.962 1.00 0.00 ? 21 GLN B C 33 ATOM 46434 O O . GLN B 1 21 ? -1.382 2.576 -3.837 1.00 0.00 ? 21 GLN B O 33 ATOM 46435 C CB . GLN B 1 21 ? 1.746 3.527 -3.198 1.00 0.00 ? 21 GLN B CB 33 ATOM 46436 C CG . GLN B 1 21 ? 1.556 4.764 -2.336 1.00 0.00 ? 21 GLN B CG 33 ATOM 46437 C CD . GLN B 1 21 ? 0.592 5.761 -2.949 1.00 0.00 ? 21 GLN B CD 33 ATOM 46438 O OE1 . GLN B 1 21 ? 1.003 6.693 -3.640 1.00 0.00 ? 21 GLN B OE1 33 ATOM 46439 N NE2 . GLN B 1 21 ? -0.697 5.569 -2.698 1.00 0.00 ? 21 GLN B NE2 33 ATOM 46440 H H . GLN B 1 21 ? 2.500 1.124 -2.835 1.00 0.00 ? 21 GLN B H 33 ATOM 46441 H HA . GLN B 1 21 ? 0.270 2.627 -1.933 1.00 0.00 ? 21 GLN B HA 33 ATOM 46442 H HB2 . GLN B 1 21 ? 2.764 3.186 -3.082 1.00 0.00 ? 21 GLN B HB2 33 ATOM 46443 H HB3 . GLN B 1 21 ? 1.586 3.806 -4.229 1.00 0.00 ? 21 GLN B HB3 33 ATOM 46444 H HG2 . GLN B 1 21 ? 1.171 4.461 -1.373 1.00 0.00 ? 21 GLN B HG2 33 ATOM 46445 H HG3 . GLN B 1 21 ? 2.514 5.246 -2.203 1.00 0.00 ? 21 GLN B HG3 33 ATOM 46446 H HE21 . GLN B 1 21 ? -0.951 4.806 -2.138 1.00 0.00 ? 21 GLN B HE21 33 ATOM 46447 H HE22 . GLN B 1 21 ? -1.343 6.198 -3.082 1.00 0.00 ? 21 GLN B HE22 33 ATOM 46448 N N . LYS B 1 22 ? 0.220 1.566 -5.053 1.00 0.00 ? 22 LYS B N 33 ATOM 46449 C CA . LYS B 1 22 ? -0.657 1.310 -6.188 1.00 0.00 ? 22 LYS B CA 33 ATOM 46450 C C . LYS B 1 22 ? -1.805 0.396 -5.776 1.00 0.00 ? 22 LYS B C 33 ATOM 46451 O O . LYS B 1 22 ? -2.915 0.501 -6.298 1.00 0.00 ? 22 LYS B O 33 ATOM 46452 C CB . LYS B 1 22 ? 0.131 0.678 -7.337 1.00 0.00 ? 22 LYS B CB 33 ATOM 46453 C CG . LYS B 1 22 ? 0.406 1.636 -8.485 1.00 0.00 ? 22 LYS B CG 33 ATOM 46454 C CD . LYS B 1 22 ? 1.365 2.741 -8.072 1.00 0.00 ? 22 LYS B CD 33 ATOM 46455 C CE . LYS B 1 22 ? 0.625 3.930 -7.482 1.00 0.00 ? 22 LYS B CE 33 ATOM 46456 N NZ . LYS B 1 22 ? 1.369 5.203 -7.684 1.00 0.00 ? 22 LYS B NZ 33 ATOM 46457 H H . LYS B 1 22 ? 1.155 1.271 -5.092 1.00 0.00 ? 22 LYS B H 33 ATOM 46458 H HA . LYS B 1 22 ? -1.062 2.256 -6.516 1.00 0.00 ? 22 LYS B HA 33 ATOM 46459 H HB2 . LYS B 1 22 ? 1.078 0.324 -6.958 1.00 0.00 ? 22 LYS B HB2 33 ATOM 46460 H HB3 . LYS B 1 22 ? -0.430 -0.161 -7.723 1.00 0.00 ? 22 LYS B HB3 33 ATOM 46461 H HG2 . LYS B 1 22 ? 0.840 1.084 -9.306 1.00 0.00 ? 22 LYS B HG2 33 ATOM 46462 H HG3 . LYS B 1 22 ? -0.527 2.081 -8.802 1.00 0.00 ? 22 LYS B HG3 33 ATOM 46463 H HD2 . LYS B 1 22 ? 2.048 2.352 -7.331 1.00 0.00 ? 22 LYS B HD2 33 ATOM 46464 H HD3 . LYS B 1 22 ? 1.919 3.067 -8.940 1.00 0.00 ? 22 LYS B HD3 33 ATOM 46465 H HE2 . LYS B 1 22 ? -0.341 4.008 -7.959 1.00 0.00 ? 22 LYS B HE2 33 ATOM 46466 H HE3 . LYS B 1 22 ? 0.490 3.765 -6.424 1.00 0.00 ? 22 LYS B HE3 33 ATOM 46467 H HZ1 . LYS B 1 22 ? 1.558 5.350 -8.697 1.00 0.00 ? 22 LYS B HZ1 33 ATOM 46468 H HZ2 . LYS B 1 22 ? 0.810 6.005 -7.328 1.00 0.00 ? 22 LYS B HZ2 33 ATOM 46469 H HZ3 . LYS B 1 22 ? 2.274 5.173 -7.175 1.00 0.00 ? 22 LYS B HZ3 33 ATOM 46470 N N . GLU B 1 23 ? -1.528 -0.498 -4.833 1.00 0.00 ? 23 GLU B N 33 ATOM 46471 C CA . GLU B 1 23 ? -2.536 -1.429 -4.345 1.00 0.00 ? 23 GLU B CA 33 ATOM 46472 C C . GLU B 1 23 ? -3.652 -0.686 -3.624 1.00 0.00 ? 23 GLU B C 33 ATOM 46473 O O . GLU B 1 23 ? -4.830 -0.904 -3.901 1.00 0.00 ? 23 GLU B O 33 ATOM 46474 C CB . GLU B 1 23 ? -1.903 -2.463 -3.412 1.00 0.00 ? 23 GLU B CB 33 ATOM 46475 C CG . GLU B 1 23 ? -2.734 -3.725 -3.251 1.00 0.00 ? 23 GLU B CG 33 ATOM 46476 C CD . GLU B 1 23 ? -3.217 -4.278 -4.577 1.00 0.00 ? 23 GLU B CD 33 ATOM 46477 O OE1 . GLU B 1 23 ? -2.363 -4.645 -5.413 1.00 0.00 ? 23 GLU B OE1 33 ATOM 46478 O OE2 . GLU B 1 23 ? -4.447 -4.346 -4.781 1.00 0.00 ? 23 GLU B OE2 33 ATOM 46479 H H . GLU B 1 23 ? -0.625 -0.530 -4.454 1.00 0.00 ? 23 GLU B H 33 ATOM 46480 H HA . GLU B 1 23 ? -2.957 -1.937 -5.201 1.00 0.00 ? 23 GLU B HA 33 ATOM 46481 H HB2 . GLU B 1 23 ? -0.937 -2.741 -3.804 1.00 0.00 ? 23 GLU B HB2 33 ATOM 46482 H HB3 . GLU B 1 23 ? -1.772 -2.017 -2.436 1.00 0.00 ? 23 GLU B HB3 33 ATOM 46483 H HG2 . GLU B 1 23 ? -2.132 -4.476 -2.762 1.00 0.00 ? 23 GLU B HG2 33 ATOM 46484 H HG3 . GLU B 1 23 ? -3.594 -3.499 -2.638 1.00 0.00 ? 23 GLU B HG3 33 ATOM 46485 N N . ILE B 1 24 ? -3.280 0.199 -2.704 1.00 0.00 ? 24 ILE B N 33 ATOM 46486 C CA . ILE B 1 24 ? -4.267 0.972 -1.962 1.00 0.00 ? 24 ILE B CA 33 ATOM 46487 C C . ILE B 1 24 ? -5.045 1.887 -2.904 1.00 0.00 ? 24 ILE B C 33 ATOM 46488 O O . ILE B 1 24 ? -6.168 2.290 -2.603 1.00 0.00 ? 24 ILE B O 33 ATOM 46489 C CB . ILE B 1 24 ? -3.617 1.818 -0.845 1.00 0.00 ? 24 ILE B CB 33 ATOM 46490 C CG1 . ILE B 1 24 ? -4.668 2.687 -0.149 1.00 0.00 ? 24 ILE B CG1 33 ATOM 46491 C CG2 . ILE B 1 24 ? -2.497 2.677 -1.408 1.00 0.00 ? 24 ILE B CG2 33 ATOM 46492 C CD1 . ILE B 1 24 ? -4.094 3.602 0.908 1.00 0.00 ? 24 ILE B CD1 33 ATOM 46493 H H . ILE B 1 24 ? -2.326 0.338 -2.527 1.00 0.00 ? 24 ILE B H 33 ATOM 46494 H HA . ILE B 1 24 ? -4.956 0.277 -1.505 1.00 0.00 ? 24 ILE B HA 33 ATOM 46495 H HB . ILE B 1 24 ? -3.186 1.143 -0.122 1.00 0.00 ? 24 ILE B HB 33 ATOM 46496 H HG12 . ILE B 1 24 ? -5.162 3.302 -0.885 1.00 0.00 ? 24 ILE B HG12 33 ATOM 46497 H HG13 . ILE B 1 24 ? -5.397 2.047 0.326 1.00 0.00 ? 24 ILE B HG13 33 ATOM 46498 H HG21 . ILE B 1 24 ? -2.835 3.165 -2.309 1.00 0.00 ? 24 ILE B HG21 33 ATOM 46499 H HG22 . ILE B 1 24 ? -2.215 3.421 -0.678 1.00 0.00 ? 24 ILE B HG22 33 ATOM 46500 H HG23 . ILE B 1 24 ? -1.645 2.053 -1.633 1.00 0.00 ? 24 ILE B HG23 33 ATOM 46501 H HD11 . ILE B 1 24 ? -3.096 3.276 1.162 1.00 0.00 ? 24 ILE B HD11 33 ATOM 46502 H HD12 . ILE B 1 24 ? -4.057 4.613 0.530 1.00 0.00 ? 24 ILE B HD12 33 ATOM 46503 H HD13 . ILE B 1 24 ? -4.719 3.568 1.788 1.00 0.00 ? 24 ILE B HD13 33 ATOM 46504 N N . GLU B 1 25 ? -4.444 2.206 -4.047 1.00 0.00 ? 25 GLU B N 33 ATOM 46505 C CA . GLU B 1 25 ? -5.091 3.063 -5.032 1.00 0.00 ? 25 GLU B CA 33 ATOM 46506 C C . GLU B 1 25 ? -6.296 2.356 -5.642 1.00 0.00 ? 25 GLU B C 33 ATOM 46507 O O . GLU B 1 25 ? -7.388 2.920 -5.721 1.00 0.00 ? 25 GLU B O 33 ATOM 46508 C CB . GLU B 1 25 ? -4.101 3.455 -6.130 1.00 0.00 ? 25 GLU B CB 33 ATOM 46509 C CG . GLU B 1 25 ? -4.341 4.845 -6.698 1.00 0.00 ? 25 GLU B CG 33 ATOM 46510 C CD . GLU B 1 25 ? -4.989 4.811 -8.068 1.00 0.00 ? 25 GLU B CD 33 ATOM 46511 O OE1 . GLU B 1 25 ? -4.432 4.153 -8.972 1.00 0.00 ? 25 GLU B OE1 33 ATOM 46512 O OE2 . GLU B 1 25 ? -6.054 5.441 -8.237 1.00 0.00 ? 25 GLU B OE2 33 ATOM 46513 H H . GLU B 1 25 ? -3.550 1.853 -4.237 1.00 0.00 ? 25 GLU B H 33 ATOM 46514 H HA . GLU B 1 25 ? -5.428 3.955 -4.526 1.00 0.00 ? 25 GLU B HA 33 ATOM 46515 H HB2 . GLU B 1 25 ? -3.100 3.422 -5.726 1.00 0.00 ? 25 GLU B HB2 33 ATOM 46516 H HB3 . GLU B 1 25 ? -4.176 2.742 -6.937 1.00 0.00 ? 25 GLU B HB3 33 ATOM 46517 H HG2 . GLU B 1 25 ? -4.987 5.388 -6.024 1.00 0.00 ? 25 GLU B HG2 33 ATOM 46518 H HG3 . GLU B 1 25 ? -3.393 5.355 -6.776 1.00 0.00 ? 25 GLU B HG3 33 ATOM 46519 N N . ARG B 1 26 ? -6.092 1.111 -6.066 1.00 0.00 ? 26 ARG B N 33 ATOM 46520 C CA . ARG B 1 26 ? -7.167 0.326 -6.660 1.00 0.00 ? 26 ARG B CA 33 ATOM 46521 C C . ARG B 1 26 ? -8.243 0.022 -5.624 1.00 0.00 ? 26 ARG B C 33 ATOM 46522 O O . ARG B 1 26 ? -9.438 0.010 -5.933 1.00 0.00 ? 26 ARG B O 33 ATOM 46523 C CB . ARG B 1 26 ? -6.616 -0.976 -7.243 1.00 0.00 ? 26 ARG B CB 33 ATOM 46524 C CG . ARG B 1 26 ? -6.339 -0.907 -8.735 1.00 0.00 ? 26 ARG B CG 33 ATOM 46525 C CD . ARG B 1 26 ? -5.230 0.083 -9.050 1.00 0.00 ? 26 ARG B CD 33 ATOM 46526 N NE . ARG B 1 26 ? -4.298 -0.437 -10.047 1.00 0.00 ? 26 ARG B NE 33 ATOM 46527 C CZ . ARG B 1 26 ? -4.629 -0.667 -11.314 1.00 0.00 ? 26 ARG B CZ 33 ATOM 46528 N NH1 . ARG B 1 26 ? -5.863 -0.421 -11.734 1.00 0.00 ? 26 ARG B NH1 33 ATOM 46529 N NH2 . ARG B 1 26 ? -3.726 -1.141 -12.162 1.00 0.00 ? 26 ARG B NH2 33 ATOM 46530 H H . ARG B 1 26 ? -5.200 0.709 -5.971 1.00 0.00 ? 26 ARG B H 33 ATOM 46531 H HA . ARG B 1 26 ? -7.605 0.911 -7.456 1.00 0.00 ? 26 ARG B HA 33 ATOM 46532 H HB2 . ARG B 1 26 ? -5.693 -1.221 -6.738 1.00 0.00 ? 26 ARG B HB2 33 ATOM 46533 H HB3 . ARG B 1 26 ? -7.331 -1.767 -7.067 1.00 0.00 ? 26 ARG B HB3 33 ATOM 46534 H HG2 . ARG B 1 26 ? -6.043 -1.885 -9.083 1.00 0.00 ? 26 ARG B HG2 33 ATOM 46535 H HG3 . ARG B 1 26 ? -7.240 -0.599 -9.245 1.00 0.00 ? 26 ARG B HG3 33 ATOM 46536 H HD2 . ARG B 1 26 ? -5.673 0.993 -9.426 1.00 0.00 ? 26 ARG B HD2 33 ATOM 46537 H HD3 . ARG B 1 26 ? -4.687 0.296 -8.141 1.00 0.00 ? 26 ARG B HD3 33 ATOM 46538 H HE . ARG B 1 26 ? -3.381 -0.626 -9.758 1.00 0.00 ? 26 ARG B HE 33 ATOM 46539 H HH11 . ARG B 1 26 ? -6.546 -0.064 -11.098 1.00 0.00 ? 26 ARG B HH11 33 ATOM 46540 H HH12 . ARG B 1 26 ? -6.110 -0.594 -12.688 1.00 0.00 ? 26 ARG B HH12 33 ATOM 46541 H HH21 . ARG B 1 26 ? -2.795 -1.326 -11.848 1.00 0.00 ? 26 ARG B HH21 33 ATOM 46542 H HH22 . ARG B 1 26 ? -3.977 -1.312 -13.115 1.00 0.00 ? 26 ARG B HH22 33 ATOM 46543 N N . HIS B 1 27 ? -7.812 -0.211 -4.388 1.00 0.00 ? 27 HIS B N 33 ATOM 46544 C CA . HIS B 1 27 ? -8.734 -0.501 -3.305 1.00 0.00 ? 27 HIS B CA 33 ATOM 46545 C C . HIS B 1 27 ? -9.456 0.768 -2.871 1.00 0.00 ? 27 HIS B C 33 ATOM 46546 O O . HIS B 1 27 ? -10.524 0.704 -2.268 1.00 0.00 ? 27 HIS B O 33 ATOM 46547 C CB . HIS B 1 27 ? -7.980 -1.111 -2.124 1.00 0.00 ? 27 HIS B CB 33 ATOM 46548 C CG . HIS B 1 27 ? -8.463 -2.477 -1.748 1.00 0.00 ? 27 HIS B CG 33 ATOM 46549 N ND1 . HIS B 1 27 ? -9.518 -2.694 -0.887 1.00 0.00 ? 27 HIS B ND1 33 ATOM 46550 C CD2 . HIS B 1 27 ? -8.028 -3.703 -2.125 1.00 0.00 ? 27 HIS B CD2 33 ATOM 46551 C CE1 . HIS B 1 27 ? -9.711 -3.994 -0.749 1.00 0.00 ? 27 HIS B CE1 33 ATOM 46552 N NE2 . HIS B 1 27 ? -8.822 -4.627 -1.490 1.00 0.00 ? 27 HIS B NE2 33 ATOM 46553 H H . HIS B 1 27 ? -6.853 -0.172 -4.195 1.00 0.00 ? 27 HIS B H 33 ATOM 46554 H HA . HIS B 1 27 ? -9.460 -1.212 -3.667 1.00 0.00 ? 27 HIS B HA 33 ATOM 46555 H HB2 . HIS B 1 27 ? -6.933 -1.188 -2.375 1.00 0.00 ? 27 HIS B HB2 33 ATOM 46556 H HB3 . HIS B 1 27 ? -8.091 -0.469 -1.265 1.00 0.00 ? 27 HIS B HB3 33 ATOM 46557 H HD1 . HIS B 1 27 ? -10.046 -1.998 -0.442 1.00 0.00 ? 27 HIS B HD1 33 ATOM 46558 H HD2 . HIS B 1 27 ? -7.210 -3.914 -2.799 1.00 0.00 ? 27 HIS B HD2 33 ATOM 46559 H HE1 . HIS B 1 27 ? -10.469 -4.459 -0.136 1.00 0.00 ? 27 HIS B HE1 33 ATOM 46560 H HE2 . HIS B 1 27 ? -8.742 -5.600 -1.572 1.00 0.00 ? 27 HIS B HE2 33 ATOM 46561 N N . LYS B 1 28 ? -8.866 1.920 -3.188 1.00 0.00 ? 28 LYS B N 33 ATOM 46562 C CA . LYS B 1 28 ? -9.455 3.203 -2.837 1.00 0.00 ? 28 LYS B CA 33 ATOM 46563 C C . LYS B 1 28 ? -10.592 3.545 -3.788 1.00 0.00 ? 28 LYS B C 33 ATOM 46564 O O . LYS B 1 28 ? -11.571 4.180 -3.397 1.00 0.00 ? 28 LYS B O 33 ATOM 46565 C CB . LYS B 1 28 ? -8.394 4.304 -2.868 1.00 0.00 ? 28 LYS B CB 33 ATOM 46566 C CG . LYS B 1 28 ? -8.950 5.692 -2.590 1.00 0.00 ? 28 LYS B CG 33 ATOM 46567 C CD . LYS B 1 28 ? -8.288 6.742 -3.466 1.00 0.00 ? 28 LYS B CD 33 ATOM 46568 C CE . LYS B 1 28 ? -9.141 7.072 -4.681 1.00 0.00 ? 28 LYS B CE 33 ATOM 46569 N NZ . LYS B 1 28 ? -9.314 8.540 -4.856 1.00 0.00 ? 28 LYS B NZ 33 ATOM 46570 H H . LYS B 1 28 ? -8.017 1.907 -3.674 1.00 0.00 ? 28 LYS B H 33 ATOM 46571 H HA . LYS B 1 28 ? -9.849 3.121 -1.838 1.00 0.00 ? 28 LYS B HA 33 ATOM 46572 H HB2 . LYS B 1 28 ? -7.642 4.086 -2.123 1.00 0.00 ? 28 LYS B HB2 33 ATOM 46573 H HB3 . LYS B 1 28 ? -7.931 4.314 -3.842 1.00 0.00 ? 28 LYS B HB3 33 ATOM 46574 H HG2 . LYS B 1 28 ? -10.011 5.690 -2.787 1.00 0.00 ? 28 LYS B HG2 33 ATOM 46575 H HG3 . LYS B 1 28 ? -8.774 5.938 -1.552 1.00 0.00 ? 28 LYS B HG3 33 ATOM 46576 H HD2 . LYS B 1 28 ? -8.142 7.641 -2.887 1.00 0.00 ? 28 LYS B HD2 33 ATOM 46577 H HD3 . LYS B 1 28 ? -7.331 6.367 -3.800 1.00 0.00 ? 28 LYS B HD3 33 ATOM 46578 H HE2 . LYS B 1 28 ? -8.663 6.668 -5.561 1.00 0.00 ? 28 LYS B HE2 33 ATOM 46579 H HE3 . LYS B 1 28 ? -10.111 6.616 -4.558 1.00 0.00 ? 28 LYS B HE3 33 ATOM 46580 H HZ1 . LYS B 1 28 ? -8.787 9.053 -4.120 1.00 0.00 ? 28 LYS B HZ1 33 ATOM 46581 H HZ2 . LYS B 1 28 ? -8.959 8.833 -5.789 1.00 0.00 ? 28 LYS B HZ2 33 ATOM 46582 H HZ3 . LYS B 1 28 ? -10.320 8.793 -4.784 1.00 0.00 ? 28 LYS B HZ3 33 ATOM 46583 N N . GLN B 1 29 ? -10.459 3.114 -5.036 1.00 0.00 ? 29 GLN B N 33 ATOM 46584 C CA . GLN B 1 29 ? -11.482 3.368 -6.041 1.00 0.00 ? 29 GLN B CA 33 ATOM 46585 C C . GLN B 1 29 ? -12.709 2.505 -5.776 1.00 0.00 ? 29 GLN B C 33 ATOM 46586 O O . GLN B 1 29 ? -13.844 2.972 -5.878 1.00 0.00 ? 29 GLN B O 33 ATOM 46587 C CB . GLN B 1 29 ? -10.936 3.088 -7.443 1.00 0.00 ? 29 GLN B CB 33 ATOM 46588 C CG . GLN B 1 29 ? -11.980 3.218 -8.539 1.00 0.00 ? 29 GLN B CG 33 ATOM 46589 C CD . GLN B 1 29 ? -11.791 4.466 -9.379 1.00 0.00 ? 29 GLN B CD 33 ATOM 46590 O OE1 . GLN B 1 29 ? -12.620 5.374 -9.358 1.00 0.00 ? 29 GLN B OE1 33 ATOM 46591 N NE2 . GLN B 1 29 ? -10.693 4.516 -10.124 1.00 0.00 ? 29 GLN B NE2 33 ATOM 46592 H H . GLN B 1 29 ? -9.655 2.609 -5.286 1.00 0.00 ? 29 GLN B H 33 ATOM 46593 H HA . GLN B 1 29 ? -11.765 4.407 -5.972 1.00 0.00 ? 29 GLN B HA 33 ATOM 46594 H HB2 . GLN B 1 29 ? -10.138 3.784 -7.650 1.00 0.00 ? 29 GLN B HB2 33 ATOM 46595 H HB3 . GLN B 1 29 ? -10.541 2.083 -7.468 1.00 0.00 ? 29 GLN B HB3 33 ATOM 46596 H HG2 . GLN B 1 29 ? -11.916 2.355 -9.184 1.00 0.00 ? 29 GLN B HG2 33 ATOM 46597 H HG3 . GLN B 1 29 ? -12.959 3.253 -8.083 1.00 0.00 ? 29 GLN B HG3 33 ATOM 46598 H HE21 . GLN B 1 29 ? -10.075 3.756 -10.091 1.00 0.00 ? 29 GLN B HE21 33 ATOM 46599 H HE22 . GLN B 1 29 ? -10.544 5.312 -10.678 1.00 0.00 ? 29 GLN B HE22 33 ATOM 46600 N N . SER B 1 30 ? -12.474 1.242 -5.431 1.00 0.00 ? 30 SER B N 33 ATOM 46601 C CA . SER B 1 30 ? -13.564 0.315 -5.147 1.00 0.00 ? 30 SER B CA 33 ATOM 46602 C C . SER B 1 30 ? -14.307 0.717 -3.874 1.00 0.00 ? 30 SER B C 33 ATOM 46603 O O . SER B 1 30 ? -15.537 0.699 -3.829 1.00 0.00 ? 30 SER B O 33 ATOM 46604 C CB . SER B 1 30 ? -13.026 -1.110 -5.009 1.00 0.00 ? 30 SER B CB 33 ATOM 46605 O OG . SER B 1 30 ? -13.208 -1.843 -6.209 1.00 0.00 ? 30 SER B OG 33 ATOM 46606 H H . SER B 1 30 ? -11.546 0.926 -5.365 1.00 0.00 ? 30 SER B H 33 ATOM 46607 H HA . SER B 1 30 ? -14.254 0.351 -5.977 1.00 0.00 ? 30 SER B HA 33 ATOM 46608 H HB2 . SER B 1 30 ? -11.972 -1.074 -4.780 1.00 0.00 ? 30 SER B HB2 33 ATOM 46609 H HB3 . SER B 1 30 ? -13.552 -1.614 -4.210 1.00 0.00 ? 30 SER B HB3 33 ATOM 46610 H HG . SER B 1 30 ? -12.352 -2.092 -6.563 1.00 0.00 ? 30 SER B HG 33 ATOM 46611 N N . ILE B 1 31 ? -13.551 1.076 -2.840 1.00 0.00 ? 31 ILE B N 33 ATOM 46612 C CA . ILE B 1 31 ? -14.135 1.478 -1.563 1.00 0.00 ? 31 ILE B CA 33 ATOM 46613 C C . ILE B 1 31 ? -14.820 2.836 -1.668 1.00 0.00 ? 31 ILE B C 33 ATOM 46614 O O . ILE B 1 31 ? -15.771 3.120 -0.938 1.00 0.00 ? 31 ILE B O 33 ATOM 46615 C CB . ILE B 1 31 ? -13.065 1.528 -0.451 1.00 0.00 ? 31 ILE B CB 33 ATOM 46616 C CG1 . ILE B 1 31 ? -13.660 1.993 0.876 1.00 0.00 ? 31 ILE B CG1 33 ATOM 46617 C CG2 . ILE B 1 31 ? -11.928 2.458 -0.843 1.00 0.00 ? 31 ILE B CG2 33 ATOM 46618 C CD1 . ILE B 1 31 ? -14.486 0.941 1.567 1.00 0.00 ? 31 ILE B CD1 33 ATOM 46619 H H . ILE B 1 31 ? -12.574 1.065 -2.938 1.00 0.00 ? 31 ILE B H 33 ATOM 46620 H HA . ILE B 1 31 ? -14.874 0.739 -1.290 1.00 0.00 ? 31 ILE B HA 33 ATOM 46621 H HB . ILE B 1 31 ? -12.665 0.529 -0.326 1.00 0.00 ? 31 ILE B HB 33 ATOM 46622 H HG12 . ILE B 1 31 ? -12.854 2.267 1.543 1.00 0.00 ? 31 ILE B HG12 33 ATOM 46623 H HG13 . ILE B 1 31 ? -14.289 2.853 0.703 1.00 0.00 ? 31 ILE B HG13 33 ATOM 46624 H HG21 . ILE B 1 31 ? -11.797 2.445 -1.912 1.00 0.00 ? 31 ILE B HG21 33 ATOM 46625 H HG22 . ILE B 1 31 ? -12.161 3.463 -0.523 1.00 0.00 ? 31 ILE B HG22 33 ATOM 46626 H HG23 . ILE B 1 31 ? -11.017 2.133 -0.364 1.00 0.00 ? 31 ILE B HG23 33 ATOM 46627 H HD11 . ILE B 1 31 ? -14.852 0.234 0.840 1.00 0.00 ? 31 ILE B HD11 33 ATOM 46628 H HD12 . ILE B 1 31 ? -13.870 0.429 2.293 1.00 0.00 ? 31 ILE B HD12 33 ATOM 46629 H HD13 . ILE B 1 31 ? -15.320 1.409 2.068 1.00 0.00 ? 31 ILE B HD13 33 ATOM 46630 N N . LYS B 1 32 ? -14.338 3.669 -2.581 1.00 0.00 ? 32 LYS B N 33 ATOM 46631 C CA . LYS B 1 32 ? -14.912 4.993 -2.780 1.00 0.00 ? 32 LYS B CA 33 ATOM 46632 C C . LYS B 1 32 ? -16.180 4.916 -3.625 1.00 0.00 ? 32 LYS B C 33 ATOM 46633 O O . LYS B 1 32 ? -17.022 5.812 -3.579 1.00 0.00 ? 32 LYS B O 33 ATOM 46634 C CB . LYS B 1 32 ? -13.894 5.918 -3.450 1.00 0.00 ? 32 LYS B CB 33 ATOM 46635 C CG . LYS B 1 32 ? -12.967 6.615 -2.467 1.00 0.00 ? 32 LYS B CG 33 ATOM 46636 C CD . LYS B 1 32 ? -12.769 8.078 -2.830 1.00 0.00 ? 32 LYS B CD 33 ATOM 46637 C CE . LYS B 1 32 ? -11.373 8.558 -2.468 1.00 0.00 ? 32 LYS B CE 33 ATOM 46638 N NZ . LYS B 1 32 ? -11.153 9.976 -2.866 1.00 0.00 ? 32 LYS B NZ 33 ATOM 46639 H H . LYS B 1 32 ? -13.583 3.386 -3.138 1.00 0.00 ? 32 LYS B H 33 ATOM 46640 H HA . LYS B 1 32 ? -15.164 5.393 -1.809 1.00 0.00 ? 32 LYS B HA 33 ATOM 46641 H HB2 . LYS B 1 32 ? -13.289 5.337 -4.130 1.00 0.00 ? 32 LYS B HB2 33 ATOM 46642 H HB3 . LYS B 1 32 ? -14.425 6.674 -4.008 1.00 0.00 ? 32 LYS B HB3 33 ATOM 46643 H HG2 . LYS B 1 32 ? -13.396 6.556 -1.478 1.00 0.00 ? 32 LYS B HG2 33 ATOM 46644 H HG3 . LYS B 1 32 ? -12.008 6.118 -2.477 1.00 0.00 ? 32 LYS B HG3 33 ATOM 46645 H HD2 . LYS B 1 32 ? -12.915 8.199 -3.893 1.00 0.00 ? 32 LYS B HD2 33 ATOM 46646 H HD3 . LYS B 1 32 ? -13.495 8.673 -2.296 1.00 0.00 ? 32 LYS B HD3 33 ATOM 46647 H HE2 . LYS B 1 32 ? -11.241 8.469 -1.400 1.00 0.00 ? 32 LYS B HE2 33 ATOM 46648 H HE3 . LYS B 1 32 ? -10.650 7.934 -2.972 1.00 0.00 ? 32 LYS B HE3 33 ATOM 46649 H HZ1 . LYS B 1 32 ? -11.675 10.189 -3.740 1.00 0.00 ? 32 LYS B HZ1 33 ATOM 46650 H HZ2 . LYS B 1 32 ? -11.483 10.614 -2.115 1.00 0.00 ? 32 LYS B HZ2 33 ATOM 46651 H HZ3 . LYS B 1 32 ? -10.140 10.147 -3.031 1.00 0.00 ? 32 LYS B HZ3 33 ATOM 46652 N N . LYS B 1 33 ? -16.308 3.842 -4.399 1.00 0.00 ? 33 LYS B N 33 ATOM 46653 C CA . LYS B 1 33 ? -17.472 3.656 -5.257 1.00 0.00 ? 33 LYS B CA 33 ATOM 46654 C C . LYS B 1 33 ? -18.660 3.107 -4.474 1.00 0.00 ? 33 LYS B C 33 ATOM 46655 O O . LYS B 1 33 ? -19.798 3.525 -4.691 1.00 0.00 ? 33 LYS B O 33 ATOM 46656 C CB . LYS B 1 33 ? -17.133 2.716 -6.415 1.00 0.00 ? 33 LYS B CB 33 ATOM 46657 C CG . LYS B 1 33 ? -16.830 3.441 -7.716 1.00 0.00 ? 33 LYS B CG 33 ATOM 46658 C CD . LYS B 1 33 ? -18.073 3.579 -8.580 1.00 0.00 ? 33 LYS B CD 33 ATOM 46659 C CE . LYS B 1 33 ? -17.766 3.311 -10.045 1.00 0.00 ? 33 LYS B CE 33 ATOM 46660 N NZ . LYS B 1 33 ? -18.914 3.665 -10.927 1.00 0.00 ? 33 LYS B NZ 33 ATOM 46661 H H . LYS B 1 33 ? -15.603 3.162 -4.398 1.00 0.00 ? 33 LYS B H 33 ATOM 46662 H HA . LYS B 1 33 ? -17.741 4.621 -5.657 1.00 0.00 ? 33 LYS B HA 33 ATOM 46663 H HB2 . LYS B 1 33 ? -16.267 2.128 -6.146 1.00 0.00 ? 33 LYS B HB2 33 ATOM 46664 H HB3 . LYS B 1 33 ? -17.970 2.055 -6.583 1.00 0.00 ? 33 LYS B HB3 33 ATOM 46665 H HG2 . LYS B 1 33 ? -16.451 4.426 -7.489 1.00 0.00 ? 33 LYS B HG2 33 ATOM 46666 H HG3 . LYS B 1 33 ? -16.083 2.883 -8.263 1.00 0.00 ? 33 LYS B HG3 33 ATOM 46667 H HD2 . LYS B 1 33 ? -18.815 2.869 -8.243 1.00 0.00 ? 33 LYS B HD2 33 ATOM 46668 H HD3 . LYS B 1 33 ? -18.460 4.582 -8.480 1.00 0.00 ? 33 LYS B HD3 33 ATOM 46669 H HE2 . LYS B 1 33 ? -16.908 3.899 -10.333 1.00 0.00 ? 33 LYS B HE2 33 ATOM 46670 H HE3 . LYS B 1 33 ? -17.541 2.261 -10.166 1.00 0.00 ? 33 LYS B HE3 33 ATOM 46671 H HZ1 . LYS B 1 33 ? -19.661 4.128 -10.372 1.00 0.00 ? 33 LYS B HZ1 33 ATOM 46672 H HZ2 . LYS B 1 33 ? -18.600 4.315 -11.676 1.00 0.00 ? 33 LYS B HZ2 33 ATOM 46673 H HZ3 . LYS B 1 33 ? -19.304 2.808 -11.366 1.00 0.00 ? 33 LYS B HZ3 33 ATOM 46674 N N . LEU B 1 34 ? -18.399 2.177 -3.560 1.00 0.00 ? 34 LEU B N 33 ATOM 46675 C CA . LEU B 1 34 ? -19.464 1.594 -2.758 1.00 0.00 ? 34 LEU B CA 33 ATOM 46676 C C . LEU B 1 34 ? -19.805 2.501 -1.582 1.00 0.00 ? 34 LEU B C 33 ATOM 46677 O O . LEU B 1 34 ? -20.920 2.470 -1.064 1.00 0.00 ? 34 LEU B O 33 ATOM 46678 C CB . LEU B 1 34 ? -19.063 0.206 -2.259 1.00 0.00 ? 34 LEU B CB 33 ATOM 46679 C CG . LEU B 1 34 ? -18.710 -0.800 -3.356 1.00 0.00 ? 34 LEU B CG 33 ATOM 46680 C CD1 . LEU B 1 34 ? -17.702 -1.817 -2.844 1.00 0.00 ? 34 LEU B CD1 33 ATOM 46681 C CD2 . LEU B 1 34 ? -19.964 -1.500 -3.856 1.00 0.00 ? 34 LEU B CD2 33 ATOM 46682 H H . LEU B 1 34 ? -17.474 1.879 -3.416 1.00 0.00 ? 34 LEU B H 33 ATOM 46683 H HA . LEU B 1 34 ? -20.337 1.501 -3.387 1.00 0.00 ? 34 LEU B HA 33 ATOM 46684 H HB2 . LEU B 1 34 ? -18.209 0.313 -1.607 1.00 0.00 ? 34 LEU B HB2 33 ATOM 46685 H HB3 . LEU B 1 34 ? -19.885 -0.197 -1.687 1.00 0.00 ? 34 LEU B HB3 33 ATOM 46686 H HG . LEU B 1 34 ? -18.264 -0.276 -4.188 1.00 0.00 ? 34 LEU B HG 33 ATOM 46687 H HD11 . LEU B 1 34 ? -16.908 -1.304 -2.322 1.00 0.00 ? 34 LEU B HD11 33 ATOM 46688 H HD12 . LEU B 1 34 ? -18.193 -2.503 -2.170 1.00 0.00 ? 34 LEU B HD12 33 ATOM 46689 H HD13 . LEU B 1 34 ? -17.289 -2.366 -3.678 1.00 0.00 ? 34 LEU B HD13 33 ATOM 46690 H HD21 . LEU B 1 34 ? -20.712 -0.763 -4.111 1.00 0.00 ? 34 LEU B HD21 33 ATOM 46691 H HD22 . LEU B 1 34 ? -19.725 -2.087 -4.731 1.00 0.00 ? 34 LEU B HD22 33 ATOM 46692 H HD23 . LEU B 1 34 ? -20.348 -2.148 -3.081 1.00 0.00 ? 34 LEU B HD23 33 ATOM 46693 N N . LYS B 1 35 ? -18.838 3.318 -1.173 1.00 0.00 ? 35 LYS B N 33 ATOM 46694 C CA . LYS B 1 35 ? -19.040 4.243 -0.066 1.00 0.00 ? 35 LYS B CA 33 ATOM 46695 C C . LYS B 1 35 ? -19.708 5.523 -0.557 1.00 0.00 ? 35 LYS B C 33 ATOM 46696 O O . LYS B 1 35 ? -20.410 6.197 0.196 1.00 0.00 ? 35 LYS B O 33 ATOM 46697 C CB . LYS B 1 35 ? -17.706 4.572 0.605 1.00 0.00 ? 35 LYS B CB 33 ATOM 46698 C CG . LYS B 1 35 ? -17.857 5.222 1.971 1.00 0.00 ? 35 LYS B CG 33 ATOM 46699 C CD . LYS B 1 35 ? -17.175 6.579 2.021 1.00 0.00 ? 35 LYS B CD 33 ATOM 46700 C CE . LYS B 1 35 ? -15.667 6.440 2.155 1.00 0.00 ? 35 LYS B CE 33 ATOM 46701 N NZ . LYS B 1 35 ? -15.292 5.478 3.229 1.00 0.00 ? 35 LYS B NZ 33 ATOM 46702 H H . LYS B 1 35 ? -17.970 3.303 -1.629 1.00 0.00 ? 35 LYS B H 33 ATOM 46703 H HA . LYS B 1 35 ? -19.689 3.765 0.652 1.00 0.00 ? 35 LYS B HA 33 ATOM 46704 H HB2 . LYS B 1 35 ? -17.142 3.659 0.726 1.00 0.00 ? 35 LYS B HB2 33 ATOM 46705 H HB3 . LYS B 1 35 ? -17.152 5.246 -0.031 1.00 0.00 ? 35 LYS B HB3 33 ATOM 46706 H HG2 . LYS B 1 35 ? -18.908 5.350 2.184 1.00 0.00 ? 35 LYS B HG2 33 ATOM 46707 H HG3 . LYS B 1 35 ? -17.412 4.577 2.716 1.00 0.00 ? 35 LYS B HG3 33 ATOM 46708 H HD2 . LYS B 1 35 ? -17.396 7.115 1.109 1.00 0.00 ? 35 LYS B HD2 33 ATOM 46709 H HD3 . LYS B 1 35 ? -17.554 7.131 2.868 1.00 0.00 ? 35 LYS B HD3 33 ATOM 46710 H HE2 . LYS B 1 35 ? -15.265 6.092 1.216 1.00 0.00 ? 35 LYS B HE2 33 ATOM 46711 H HE3 . LYS B 1 35 ? -15.248 7.408 2.389 1.00 0.00 ? 35 LYS B HE3 33 ATOM 46712 H HZ1 . LYS B 1 35 ? -16.050 5.421 3.939 1.00 0.00 ? 35 LYS B HZ1 33 ATOM 46713 H HZ2 . LYS B 1 35 ? -15.137 4.533 2.824 1.00 0.00 ? 35 LYS B HZ2 33 ATOM 46714 H HZ3 . LYS B 1 35 ? -14.417 5.789 3.698 1.00 0.00 ? 35 LYS B HZ3 33 ATOM 46715 N N . GLN B 1 36 ? -19.488 5.849 -1.828 1.00 0.00 ? 36 GLN B N 33 ATOM 46716 C CA . GLN B 1 36 ? -20.075 7.046 -2.420 1.00 0.00 ? 36 GLN B CA 33 ATOM 46717 C C . GLN B 1 36 ? -21.516 6.783 -2.843 1.00 0.00 ? 36 GLN B C 33 ATOM 46718 O O . GLN B 1 36 ? -22.367 7.670 -2.768 1.00 0.00 ? 36 GLN B O 33 ATOM 46719 C CB . GLN B 1 36 ? -19.252 7.505 -3.624 1.00 0.00 ? 36 GLN B CB 33 ATOM 46720 C CG . GLN B 1 36 ? -18.002 8.281 -3.246 1.00 0.00 ? 36 GLN B CG 33 ATOM 46721 C CD . GLN B 1 36 ? -17.090 8.530 -4.432 1.00 0.00 ? 36 GLN B CD 33 ATOM 46722 O OE1 . GLN B 1 36 ? -15.872 8.367 -4.338 1.00 0.00 ? 36 GLN B OE1 33 ATOM 46723 N NE2 . GLN B 1 36 ? -17.674 8.927 -5.555 1.00 0.00 ? 36 GLN B NE2 33 ATOM 46724 H H . GLN B 1 36 ? -18.922 5.270 -2.383 1.00 0.00 ? 36 GLN B H 33 ATOM 46725 H HA . GLN B 1 36 ? -20.068 7.824 -1.671 1.00 0.00 ? 36 GLN B HA 33 ATOM 46726 H HB2 . GLN B 1 36 ? -18.953 6.636 -4.193 1.00 0.00 ? 36 GLN B HB2 33 ATOM 46727 H HB3 . GLN B 1 36 ? -19.868 8.137 -4.246 1.00 0.00 ? 36 GLN B HB3 33 ATOM 46728 H HG2 . GLN B 1 36 ? -18.296 9.234 -2.831 1.00 0.00 ? 36 GLN B HG2 33 ATOM 46729 H HG3 . GLN B 1 36 ? -17.455 7.719 -2.502 1.00 0.00 ? 36 GLN B HG3 33 ATOM 46730 H HE21 . GLN B 1 36 ? -18.649 9.035 -5.556 1.00 0.00 ? 36 GLN B HE21 33 ATOM 46731 H HE22 . GLN B 1 36 ? -17.109 9.096 -6.338 1.00 0.00 ? 36 GLN B HE22 33 ATOM 46732 N N . SER B 1 37 ? -21.781 5.559 -3.286 1.00 0.00 ? 37 SER B N 33 ATOM 46733 C CA . SER B 1 37 ? -23.121 5.176 -3.719 1.00 0.00 ? 37 SER B CA 33 ATOM 46734 C C . SER B 1 37 ? -24.035 4.954 -2.519 1.00 0.00 ? 37 SER B C 33 ATOM 46735 O O . SER B 1 37 ? -25.247 5.149 -2.606 1.00 0.00 ? 37 SER B O 33 ATOM 46736 C CB . SER B 1 37 ? -23.060 3.909 -4.573 1.00 0.00 ? 37 SER B CB 33 ATOM 46737 O OG . SER B 1 37 ? -23.722 4.097 -5.813 1.00 0.00 ? 37 SER B OG 33 ATOM 46738 H H . SER B 1 37 ? -21.061 4.896 -3.320 1.00 0.00 ? 37 SER B H 33 ATOM 46739 H HA . SER B 1 37 ? -23.519 5.984 -4.314 1.00 0.00 ? 37 SER B HA 33 ATOM 46740 H HB2 . SER B 1 37 ? -22.029 3.654 -4.764 1.00 0.00 ? 37 SER B HB2 33 ATOM 46741 H HB3 . SER B 1 37 ? -23.539 3.098 -4.043 1.00 0.00 ? 37 SER B HB3 33 ATOM 46742 H HG . SER B 1 37 ? -24.057 3.255 -6.128 1.00 0.00 ? 37 SER B HG 33 ATOM 46743 N N . GLU B 1 38 ? -23.448 4.545 -1.399 1.00 0.00 ? 38 GLU B N 33 ATOM 46744 C CA . GLU B 1 38 ? -24.213 4.297 -0.182 1.00 0.00 ? 38 GLU B CA 33 ATOM 46745 C C . GLU B 1 38 ? -24.620 5.611 0.478 1.00 0.00 ? 38 GLU B C 33 ATOM 46746 O O . GLU B 1 38 ? -25.646 5.684 1.155 1.00 0.00 ? 38 GLU B O 33 ATOM 46747 C CB . GLU B 1 38 ? -23.396 3.453 0.798 1.00 0.00 ? 38 GLU B CB 33 ATOM 46748 C CG . GLU B 1 38 ? -24.140 2.233 1.316 1.00 0.00 ? 38 GLU B CG 33 ATOM 46749 C CD . GLU B 1 38 ? -24.478 2.338 2.790 1.00 0.00 ? 38 GLU B CD 33 ATOM 46750 O OE1 . GLU B 1 38 ? -25.300 3.208 3.149 1.00 0.00 ? 38 GLU B OE1 33 ATOM 46751 O OE2 . GLU B 1 38 ? -23.921 1.552 3.586 1.00 0.00 ? 38 GLU B OE2 33 ATOM 46752 H H . GLU B 1 38 ? -22.476 4.407 -1.389 1.00 0.00 ? 38 GLU B H 33 ATOM 46753 H HA . GLU B 1 38 ? -25.104 3.753 -0.456 1.00 0.00 ? 38 GLU B HA 33 ATOM 46754 H HB2 . GLU B 1 38 ? -22.497 3.117 0.304 1.00 0.00 ? 38 GLU B HB2 33 ATOM 46755 H HB3 . GLU B 1 38 ? -23.124 4.067 1.644 1.00 0.00 ? 38 GLU B HB3 33 ATOM 46756 H HG2 . GLU B 1 38 ? -25.058 2.123 0.759 1.00 0.00 ? 38 GLU B HG2 33 ATOM 46757 H HG3 . GLU B 1 38 ? -23.522 1.359 1.165 1.00 0.00 ? 38 GLU B HG3 33 ATOM 46758 N N . ASP B 1 39 ? -23.810 6.644 0.275 1.00 0.00 ? 39 ASP B N 33 ATOM 46759 C CA . ASP B 1 39 ? -24.086 7.955 0.850 1.00 0.00 ? 39 ASP B CA 33 ATOM 46760 C C . ASP B 1 39 ? -25.271 8.617 0.153 1.00 0.00 ? 39 ASP B C 33 ATOM 46761 O O . ASP B 1 39 ? -25.976 9.433 0.747 1.00 0.00 ? 39 ASP B O 33 ATOM 46762 C CB . ASP B 1 39 ? -22.852 8.853 0.742 1.00 0.00 ? 39 ASP B CB 33 ATOM 46763 C CG . ASP B 1 39 ? -22.882 10.000 1.733 1.00 0.00 ? 39 ASP B CG 33 ATOM 46764 O OD1 . ASP B 1 39 ? -23.936 10.663 1.842 1.00 0.00 ? 39 ASP B OD1 33 ATOM 46765 O OD2 . ASP B 1 39 ? -21.854 10.235 2.401 1.00 0.00 ? 39 ASP B OD2 33 ATOM 46766 H H . ASP B 1 39 ? -23.007 6.523 -0.275 1.00 0.00 ? 39 ASP B H 33 ATOM 46767 H HA . ASP B 1 39 ? -24.328 7.816 1.893 1.00 0.00 ? 39 ASP B HA 33 ATOM 46768 H HB2 . ASP B 1 39 ? -21.967 8.263 0.931 1.00 0.00 ? 39 ASP B HB2 33 ATOM 46769 H HB3 . ASP B 1 39 ? -22.799 9.263 -0.255 1.00 0.00 ? 39 ASP B HB3 33 ATOM 46770 N N . ASP B 1 40 ? -25.485 8.258 -1.108 1.00 0.00 ? 40 ASP B N 33 ATOM 46771 C CA . ASP B 1 40 ? -26.586 8.815 -1.885 1.00 0.00 ? 40 ASP B CA 33 ATOM 46772 C C . ASP B 1 40 ? -26.347 10.292 -2.184 1.00 0.00 ? 40 ASP B C 33 ATOM 46773 O O . ASP B 1 40 ? -25.344 10.866 -1.762 1.00 0.00 ? 40 ASP B O 33 ATOM 46774 C CB . ASP B 1 40 ? -27.906 8.643 -1.133 1.00 0.00 ? 40 ASP B CB 33 ATOM 46775 C CG . ASP B 1 40 ? -28.783 7.566 -1.742 1.00 0.00 ? 40 ASP B CG 33 ATOM 46776 O OD1 . ASP B 1 40 ? -28.451 6.372 -1.586 1.00 0.00 ? 40 ASP B OD1 33 ATOM 46777 O OD2 . ASP B 1 40 ? -29.800 7.917 -2.377 1.00 0.00 ? 40 ASP B OD2 33 ATOM 46778 H H . ASP B 1 40 ? -24.888 7.601 -1.526 1.00 0.00 ? 40 ASP B H 33 ATOM 46779 H HA . ASP B 1 40 ? -26.639 8.275 -2.819 1.00 0.00 ? 40 ASP B HA 33 ATOM 46780 H HB2 . ASP B 1 40 ? -27.698 8.373 -0.109 1.00 0.00 ? 40 ASP B HB2 33 ATOM 46781 H HB3 . ASP B 1 40 ? -28.449 9.576 -1.152 1.00 0.00 ? 40 ASP B HB3 33 ATOM 46782 N N . ASP B 1 41 ? -27.275 10.900 -2.916 1.00 0.00 ? 41 ASP B N 33 ATOM 46783 C CA . ASP B 1 41 ? -27.166 12.310 -3.272 1.00 0.00 ? 41 ASP B CA 33 ATOM 46784 C C . ASP B 1 41 ? -28.540 12.909 -3.552 1.00 0.00 ? 41 ASP B C 33 ATOM 46785 O O . ASP B 1 41 ? -29.190 13.372 -2.592 1.00 0.00 ? 41 ASP B O 33 ATOM 46786 C CB . ASP B 1 41 ? -26.263 12.480 -4.494 1.00 0.00 ? 41 ASP B CB 33 ATOM 46787 C CG . ASP B 1 41 ? -24.999 11.646 -4.401 1.00 0.00 ? 41 ASP B CG 33 ATOM 46788 O OD1 . ASP B 1 41 ? -24.125 11.984 -3.575 1.00 0.00 ? 41 ASP B OD1 33 ATOM 46789 O OD2 . ASP B 1 41 ? -24.886 10.656 -5.153 1.00 0.00 ? 41 ASP B OD2 33 ATOM 46790 O OXT . ASP B 1 41 ? -28.954 12.909 -4.730 1.00 0.00 ? 41 ASP B OXT 33 ATOM 46791 H H . ASP B 1 41 ? -28.052 10.389 -3.223 1.00 0.00 ? 41 ASP B H 33 ATOM 46792 H HA . ASP B 1 41 ? -26.724 12.829 -2.434 1.00 0.00 ? 41 ASP B HA 33 ATOM 46793 H HB2 . ASP B 1 41 ? -26.804 12.181 -5.379 1.00 0.00 ? 41 ASP B HB2 33 ATOM 46794 H HB3 . ASP B 1 41 ? -25.981 13.520 -4.584 1.00 0.00 ? 41 ASP B HB3 33 ATOM 46795 N N . ALA A 1 1 ? -32.133 7.125 3.223 1.00 0.00 ? 1 ALA A N 34 ATOM 46796 C CA . ALA A 1 1 ? -30.806 6.463 3.144 1.00 0.00 ? 1 ALA A CA 34 ATOM 46797 C C . ALA A 1 1 ? -30.857 5.062 3.745 1.00 0.00 ? 1 ALA A C 34 ATOM 46798 O O . ALA A 1 1 ? -30.796 4.895 4.962 1.00 0.00 ? 1 ALA A O 34 ATOM 46799 C CB . ALA A 1 1 ? -29.755 7.302 3.855 1.00 0.00 ? 1 ALA A CB 34 ATOM 46800 H H1 . ALA A 1 1 ? -32.850 6.437 2.918 1.00 0.00 ? 1 ALA A H1 34 ATOM 46801 H H2 . ALA A 1 1 ? -32.285 7.413 4.211 1.00 0.00 ? 1 ALA A H2 34 ATOM 46802 H H3 . ALA A 1 1 ? -32.114 7.950 2.591 1.00 0.00 ? 1 ALA A H3 34 ATOM 46803 H HA . ALA A 1 1 ? -30.526 6.386 2.104 1.00 0.00 ? 1 ALA A HA 34 ATOM 46804 H HB1 . ALA A 1 1 ? -28.779 6.870 3.693 1.00 0.00 ? 1 ALA A HB1 34 ATOM 46805 H HB2 . ALA A 1 1 ? -29.968 7.325 4.914 1.00 0.00 ? 1 ALA A HB2 34 ATOM 46806 H HB3 . ALA A 1 1 ? -29.772 8.309 3.463 1.00 0.00 ? 1 ALA A HB3 34 ATOM 46807 N N . LEU A 1 2 ? -30.969 4.058 2.882 1.00 0.00 ? 2 LEU A N 34 ATOM 46808 C CA . LEU A 1 2 ? -31.028 2.670 3.326 1.00 0.00 ? 2 LEU A CA 34 ATOM 46809 C C . LEU A 1 2 ? -30.104 1.791 2.491 1.00 0.00 ? 2 LEU A C 34 ATOM 46810 O O . LEU A 1 2 ? -30.517 1.220 1.482 1.00 0.00 ? 2 LEU A O 34 ATOM 46811 C CB . LEU A 1 2 ? -32.463 2.147 3.241 1.00 0.00 ? 2 LEU A CB 34 ATOM 46812 C CG . LEU A 1 2 ? -33.537 3.113 3.743 1.00 0.00 ? 2 LEU A CG 34 ATOM 46813 C CD1 . LEU A 1 2 ? -34.748 3.089 2.826 1.00 0.00 ? 2 LEU A CD1 34 ATOM 46814 C CD2 . LEU A 1 2 ? -33.938 2.769 5.170 1.00 0.00 ? 2 LEU A CD2 34 ATOM 46815 H H . LEU A 1 2 ? -31.012 4.254 1.922 1.00 0.00 ? 2 LEU A H 34 ATOM 46816 H HA . LEU A 1 2 ? -30.703 2.639 4.355 1.00 0.00 ? 2 LEU A HA 34 ATOM 46817 H HB2 . LEU A 1 2 ? -32.676 1.908 2.210 1.00 0.00 ? 2 LEU A HB2 34 ATOM 46818 H HB3 . LEU A 1 2 ? -32.528 1.239 3.824 1.00 0.00 ? 2 LEU A HB3 34 ATOM 46819 H HG . LEU A 1 2 ? -33.136 4.118 3.741 1.00 0.00 ? 2 LEU A HG 34 ATOM 46820 H HD11 . LEU A 1 2 ? -34.421 3.085 1.796 1.00 0.00 ? 2 LEU A HD11 34 ATOM 46821 H HD12 . LEU A 1 2 ? -35.330 2.200 3.021 1.00 0.00 ? 2 LEU A HD12 34 ATOM 46822 H HD13 . LEU A 1 2 ? -35.356 3.963 3.007 1.00 0.00 ? 2 LEU A HD13 34 ATOM 46823 H HD21 . LEU A 1 2 ? -33.485 1.831 5.454 1.00 0.00 ? 2 LEU A HD21 34 ATOM 46824 H HD22 . LEU A 1 2 ? -33.601 3.549 5.837 1.00 0.00 ? 2 LEU A HD22 34 ATOM 46825 H HD23 . LEU A 1 2 ? -35.013 2.683 5.230 1.00 0.00 ? 2 LEU A HD23 34 ATOM 46826 N N . LYS A 1 3 ? -28.850 1.686 2.919 1.00 0.00 ? 3 LYS A N 34 ATOM 46827 C CA . LYS A 1 3 ? -27.866 0.876 2.210 1.00 0.00 ? 3 LYS A CA 34 ATOM 46828 C C . LYS A 1 3 ? -27.626 -0.445 2.934 1.00 0.00 ? 3 LYS A C 34 ATOM 46829 O O . LYS A 1 3 ? -28.158 -1.483 2.543 1.00 0.00 ? 3 LYS A O 34 ATOM 46830 C CB . LYS A 1 3 ? -26.548 1.641 2.073 1.00 0.00 ? 3 LYS A CB 34 ATOM 46831 C CG . LYS A 1 3 ? -26.228 2.050 0.645 1.00 0.00 ? 3 LYS A CG 34 ATOM 46832 C CD . LYS A 1 3 ? -27.297 2.970 0.076 1.00 0.00 ? 3 LYS A CD 34 ATOM 46833 C CE . LYS A 1 3 ? -28.214 2.231 -0.885 1.00 0.00 ? 3 LYS A CE 34 ATOM 46834 N NZ . LYS A 1 3 ? -28.668 3.106 -2.002 1.00 0.00 ? 3 LYS A NZ 34 ATOM 46835 H H . LYS A 1 3 ? -28.579 2.164 3.730 1.00 0.00 ? 3 LYS A H 34 ATOM 46836 H HA . LYS A 1 3 ? -28.255 0.667 1.226 1.00 0.00 ? 3 LYS A HA 34 ATOM 46837 H HB2 . LYS A 1 3 ? -26.599 2.534 2.678 1.00 0.00 ? 3 LYS A HB2 34 ATOM 46838 H HB3 . LYS A 1 3 ? -25.743 1.018 2.434 1.00 0.00 ? 3 LYS A HB3 34 ATOM 46839 H HG2 . LYS A 1 3 ? -25.280 2.566 0.632 1.00 0.00 ? 3 LYS A HG2 34 ATOM 46840 H HG3 . LYS A 1 3 ? -26.166 1.163 0.032 1.00 0.00 ? 3 LYS A HG3 34 ATOM 46841 H HD2 . LYS A 1 3 ? -27.888 3.364 0.889 1.00 0.00 ? 3 LYS A HD2 34 ATOM 46842 H HD3 . LYS A 1 3 ? -26.817 3.782 -0.449 1.00 0.00 ? 3 LYS A HD3 34 ATOM 46843 H HE2 . LYS A 1 3 ? -27.679 1.388 -1.295 1.00 0.00 ? 3 LYS A HE2 34 ATOM 46844 H HE3 . LYS A 1 3 ? -29.078 1.880 -0.340 1.00 0.00 ? 3 LYS A HE3 34 ATOM 46845 H HZ1 . LYS A 1 3 ? -27.936 3.809 -2.226 1.00 0.00 ? 3 LYS A HZ1 34 ATOM 46846 H HZ2 . LYS A 1 3 ? -28.857 2.534 -2.849 1.00 0.00 ? 3 LYS A HZ2 34 ATOM 46847 H HZ3 . LYS A 1 3 ? -29.540 3.604 -1.733 1.00 0.00 ? 3 LYS A HZ3 34 ATOM 46848 N N . LYS A 1 4 ? -26.821 -0.395 3.994 1.00 0.00 ? 4 LYS A N 34 ATOM 46849 C CA . LYS A 1 4 ? -26.502 -1.584 4.785 1.00 0.00 ? 4 LYS A CA 34 ATOM 46850 C C . LYS A 1 4 ? -25.479 -2.459 4.069 1.00 0.00 ? 4 LYS A C 34 ATOM 46851 O O . LYS A 1 4 ? -24.292 -2.430 4.393 1.00 0.00 ? 4 LYS A O 34 ATOM 46852 C CB . LYS A 1 4 ? -27.767 -2.393 5.087 1.00 0.00 ? 4 LYS A CB 34 ATOM 46853 C CG . LYS A 1 4 ? -28.042 -2.556 6.574 1.00 0.00 ? 4 LYS A CG 34 ATOM 46854 C CD . LYS A 1 4 ? -29.300 -1.810 6.992 1.00 0.00 ? 4 LYS A CD 34 ATOM 46855 C CE . LYS A 1 4 ? -28.963 -0.517 7.717 1.00 0.00 ? 4 LYS A CE 34 ATOM 46856 N NZ . LYS A 1 4 ? -30.174 0.120 8.307 1.00 0.00 ? 4 LYS A NZ 34 ATOM 46857 H H . LYS A 1 4 ? -26.431 0.465 4.253 1.00 0.00 ? 4 LYS A H 34 ATOM 46858 H HA . LYS A 1 4 ? -26.071 -1.248 5.716 1.00 0.00 ? 4 LYS A HA 34 ATOM 46859 H HB2 . LYS A 1 4 ? -28.615 -1.896 4.640 1.00 0.00 ? 4 LYS A HB2 34 ATOM 46860 H HB3 . LYS A 1 4 ? -27.665 -3.376 4.653 1.00 0.00 ? 4 LYS A HB3 34 ATOM 46861 H HG2 . LYS A 1 4 ? -28.170 -3.605 6.793 1.00 0.00 ? 4 LYS A HG2 34 ATOM 46862 H HG3 . LYS A 1 4 ? -27.202 -2.168 7.130 1.00 0.00 ? 4 LYS A HG3 34 ATOM 46863 H HD2 . LYS A 1 4 ? -29.879 -1.577 6.111 1.00 0.00 ? 4 LYS A HD2 34 ATOM 46864 H HD3 . LYS A 1 4 ? -29.878 -2.441 7.650 1.00 0.00 ? 4 LYS A HD3 34 ATOM 46865 H HE2 . LYS A 1 4 ? -28.260 -0.733 8.507 1.00 0.00 ? 4 LYS A HE2 34 ATOM 46866 H HE3 . LYS A 1 4 ? -28.513 0.169 7.013 1.00 0.00 ? 4 LYS A HE3 34 ATOM 46867 H HZ1 . LYS A 1 4 ? -31.034 -0.292 7.891 1.00 0.00 ? 4 LYS A HZ1 34 ATOM 46868 H HZ2 . LYS A 1 4 ? -30.192 -0.032 9.336 1.00 0.00 ? 4 LYS A HZ2 34 ATOM 46869 H HZ3 . LYS A 1 4 ? -30.168 1.143 8.120 1.00 0.00 ? 4 LYS A HZ3 34 ATOM 46870 N N . HIS A 1 5 ? -25.939 -3.238 3.092 1.00 0.00 ? 5 HIS A N 34 ATOM 46871 C CA . HIS A 1 5 ? -25.053 -4.119 2.333 1.00 0.00 ? 5 HIS A CA 34 ATOM 46872 C C . HIS A 1 5 ? -23.796 -3.373 1.892 1.00 0.00 ? 5 HIS A C 34 ATOM 46873 O O . HIS A 1 5 ? -22.726 -3.965 1.745 1.00 0.00 ? 5 HIS A O 34 ATOM 46874 C CB . HIS A 1 5 ? -25.782 -4.682 1.112 1.00 0.00 ? 5 HIS A CB 34 ATOM 46875 C CG . HIS A 1 5 ? -26.046 -3.663 0.047 1.00 0.00 ? 5 HIS A CG 34 ATOM 46876 N ND1 . HIS A 1 5 ? -25.939 -3.936 -1.300 1.00 0.00 ? 5 HIS A ND1 34 ATOM 46877 C CD2 . HIS A 1 5 ? -26.415 -2.362 0.137 1.00 0.00 ? 5 HIS A CD2 34 ATOM 46878 C CE1 . HIS A 1 5 ? -26.229 -2.848 -1.993 1.00 0.00 ? 5 HIS A CE1 34 ATOM 46879 N NE2 . HIS A 1 5 ? -26.522 -1.881 -1.144 1.00 0.00 ? 5 HIS A NE2 34 ATOM 46880 H H . HIS A 1 5 ? -26.893 -3.221 2.875 1.00 0.00 ? 5 HIS A H 34 ATOM 46881 H HA . HIS A 1 5 ? -24.765 -4.935 2.979 1.00 0.00 ? 5 HIS A HA 34 ATOM 46882 H HB2 . HIS A 1 5 ? -25.185 -5.469 0.676 1.00 0.00 ? 5 HIS A HB2 34 ATOM 46883 H HB3 . HIS A 1 5 ? -26.733 -5.089 1.426 1.00 0.00 ? 5 HIS A HB3 34 ATOM 46884 H HD1 . HIS A 1 5 ? -25.687 -4.798 -1.691 1.00 0.00 ? 5 HIS A HD1 34 ATOM 46885 H HD2 . HIS A 1 5 ? -26.592 -1.807 1.048 1.00 0.00 ? 5 HIS A HD2 34 ATOM 46886 H HE1 . HIS A 1 5 ? -26.229 -2.766 -3.069 1.00 0.00 ? 5 HIS A HE1 34 ATOM 46887 H HE2 . HIS A 1 5 ? -26.775 -0.968 -1.393 1.00 0.00 ? 5 HIS A HE2 34 ATOM 46888 N N . HIS A 1 6 ? -23.937 -2.067 1.692 1.00 0.00 ? 6 HIS A N 34 ATOM 46889 C CA . HIS A 1 6 ? -22.816 -1.234 1.277 1.00 0.00 ? 6 HIS A CA 34 ATOM 46890 C C . HIS A 1 6 ? -21.794 -1.120 2.398 1.00 0.00 ? 6 HIS A C 34 ATOM 46891 O O . HIS A 1 6 ? -20.606 -1.328 2.180 1.00 0.00 ? 6 HIS A O 34 ATOM 46892 C CB . HIS A 1 6 ? -23.305 0.154 0.863 1.00 0.00 ? 6 HIS A CB 34 ATOM 46893 C CG . HIS A 1 6 ? -23.648 0.259 -0.591 1.00 0.00 ? 6 HIS A CG 34 ATOM 46894 N ND1 . HIS A 1 6 ? -24.031 -0.824 -1.355 1.00 0.00 ? 6 HIS A ND1 34 ATOM 46895 C CD2 . HIS A 1 6 ? -23.667 1.328 -1.422 1.00 0.00 ? 6 HIS A CD2 34 ATOM 46896 C CE1 . HIS A 1 6 ? -24.268 -0.426 -2.592 1.00 0.00 ? 6 HIS A CE1 34 ATOM 46897 N NE2 . HIS A 1 6 ? -24.055 0.874 -2.658 1.00 0.00 ? 6 HIS A NE2 34 ATOM 46898 H H . HIS A 1 6 ? -24.814 -1.653 1.833 1.00 0.00 ? 6 HIS A H 34 ATOM 46899 H HA . HIS A 1 6 ? -22.346 -1.713 0.431 1.00 0.00 ? 6 HIS A HA 34 ATOM 46900 H HB2 . HIS A 1 6 ? -24.188 0.402 1.431 1.00 0.00 ? 6 HIS A HB2 34 ATOM 46901 H HB3 . HIS A 1 6 ? -22.531 0.878 1.076 1.00 0.00 ? 6 HIS A HB3 34 ATOM 46902 H HD1 . HIS A 1 6 ? -24.114 -1.748 -1.037 1.00 0.00 ? 6 HIS A HD1 34 ATOM 46903 H HD2 . HIS A 1 6 ? -23.421 2.348 -1.161 1.00 0.00 ? 6 HIS A HD2 34 ATOM 46904 H HE1 . HIS A 1 6 ? -24.584 -1.058 -3.409 1.00 0.00 ? 6 HIS A HE1 34 ATOM 46905 H HE2 . HIS A 1 6 ? -24.159 1.426 -3.462 1.00 0.00 ? 6 HIS A HE2 34 ATOM 46906 N N . GLU A 1 7 ? -22.264 -0.795 3.600 1.00 0.00 ? 7 GLU A N 34 ATOM 46907 C CA . GLU A 1 7 ? -21.382 -0.669 4.752 1.00 0.00 ? 7 GLU A CA 34 ATOM 46908 C C . GLU A 1 7 ? -20.636 -1.978 5.002 1.00 0.00 ? 7 GLU A C 34 ATOM 46909 O O . GLU A 1 7 ? -19.572 -1.987 5.619 1.00 0.00 ? 7 GLU A O 34 ATOM 46910 C CB . GLU A 1 7 ? -22.181 -0.275 5.995 1.00 0.00 ? 7 GLU A CB 34 ATOM 46911 C CG . GLU A 1 7 ? -23.065 -1.389 6.532 1.00 0.00 ? 7 GLU A CG 34 ATOM 46912 C CD . GLU A 1 7 ? -22.882 -1.613 8.020 1.00 0.00 ? 7 GLU A CD 34 ATOM 46913 O OE1 . GLU A 1 7 ? -23.591 -0.957 8.812 1.00 0.00 ? 7 GLU A OE1 34 ATOM 46914 O OE2 . GLU A 1 7 ? -22.027 -2.445 8.394 1.00 0.00 ? 7 GLU A OE2 34 ATOM 46915 H H . GLU A 1 7 ? -23.222 -0.644 3.714 1.00 0.00 ? 7 GLU A H 34 ATOM 46916 H HA . GLU A 1 7 ? -20.662 0.106 4.536 1.00 0.00 ? 7 GLU A HA 34 ATOM 46917 H HB2 . GLU A 1 7 ? -21.494 0.016 6.774 1.00 0.00 ? 7 GLU A HB2 34 ATOM 46918 H HB3 . GLU A 1 7 ? -22.811 0.568 5.751 1.00 0.00 ? 7 GLU A HB3 34 ATOM 46919 H HG2 . GLU A 1 7 ? -24.099 -1.133 6.348 1.00 0.00 ? 7 GLU A HG2 34 ATOM 46920 H HG3 . GLU A 1 7 ? -22.825 -2.305 6.012 1.00 0.00 ? 7 GLU A HG3 34 ATOM 46921 N N . ASN A 1 8 ? -21.200 -3.083 4.514 1.00 0.00 ? 8 ASN A N 34 ATOM 46922 C CA . ASN A 1 8 ? -20.583 -4.393 4.680 1.00 0.00 ? 8 ASN A CA 34 ATOM 46923 C C . ASN A 1 8 ? -19.345 -4.515 3.801 1.00 0.00 ? 8 ASN A C 34 ATOM 46924 O O . ASN A 1 8 ? -18.236 -4.714 4.299 1.00 0.00 ? 8 ASN A O 34 ATOM 46925 C CB . ASN A 1 8 ? -21.581 -5.501 4.336 1.00 0.00 ? 8 ASN A CB 34 ATOM 46926 C CG . ASN A 1 8 ? -21.846 -6.426 5.508 1.00 0.00 ? 8 ASN A CG 34 ATOM 46927 O OD1 . ASN A 1 8 ? -21.071 -7.343 5.777 1.00 0.00 ? 8 ASN A OD1 34 ATOM 46928 N ND2 . ASN A 1 8 ? -22.946 -6.188 6.214 1.00 0.00 ? 8 ASN A ND2 34 ATOM 46929 H H . ASN A 1 8 ? -22.048 -3.013 4.028 1.00 0.00 ? 8 ASN A H 34 ATOM 46930 H HA . ASN A 1 8 ? -20.288 -4.493 5.713 1.00 0.00 ? 8 ASN A HA 34 ATOM 46931 H HB2 . ASN A 1 8 ? -22.518 -5.054 4.037 1.00 0.00 ? 8 ASN A HB2 34 ATOM 46932 H HB3 . ASN A 1 8 ? -21.191 -6.088 3.518 1.00 0.00 ? 8 ASN A HB3 34 ATOM 46933 H HD21 . ASN A 1 8 ? -23.517 -5.440 5.941 1.00 0.00 ? 8 ASN A HD21 34 ATOM 46934 H HD22 . ASN A 1 8 ? -23.142 -6.771 6.977 1.00 0.00 ? 8 ASN A HD22 34 ATOM 46935 N N . GLU A 1 9 ? -19.534 -4.371 2.492 1.00 0.00 ? 9 GLU A N 34 ATOM 46936 C CA . GLU A 1 9 ? -18.418 -4.443 1.555 1.00 0.00 ? 9 GLU A CA 34 ATOM 46937 C C . GLU A 1 9 ? -17.530 -3.201 1.673 1.00 0.00 ? 9 GLU A C 34 ATOM 46938 O O . GLU A 1 9 ? -16.450 -3.139 1.086 1.00 0.00 ? 9 GLU A O 34 ATOM 46939 C CB . GLU A 1 9 ? -18.935 -4.582 0.122 1.00 0.00 ? 9 GLU A CB 34 ATOM 46940 C CG . GLU A 1 9 ? -19.829 -5.793 -0.087 1.00 0.00 ? 9 GLU A CG 34 ATOM 46941 C CD . GLU A 1 9 ? -21.172 -5.429 -0.688 1.00 0.00 ? 9 GLU A CD 34 ATOM 46942 O OE1 . GLU A 1 9 ? -21.655 -4.307 -0.426 1.00 0.00 ? 9 GLU A OE1 34 ATOM 46943 O OE2 . GLU A 1 9 ? -21.743 -6.265 -1.419 1.00 0.00 ? 9 GLU A OE2 34 ATOM 46944 H H . GLU A 1 9 ? -20.440 -4.194 2.150 1.00 0.00 ? 9 GLU A H 34 ATOM 46945 H HA . GLU A 1 9 ? -17.831 -5.315 1.804 1.00 0.00 ? 9 GLU A HA 34 ATOM 46946 H HB2 . GLU A 1 9 ? -19.499 -3.697 -0.133 1.00 0.00 ? 9 GLU A HB2 34 ATOM 46947 H HB3 . GLU A 1 9 ? -18.091 -4.665 -0.547 1.00 0.00 ? 9 GLU A HB3 34 ATOM 46948 H HG2 . GLU A 1 9 ? -19.330 -6.482 -0.753 1.00 0.00 ? 9 GLU A HG2 34 ATOM 46949 H HG3 . GLU A 1 9 ? -19.995 -6.271 0.867 1.00 0.00 ? 9 GLU A HG3 34 ATOM 46950 N N . ILE A 1 10 ? -17.997 -2.215 2.441 1.00 0.00 ? 10 ILE A N 34 ATOM 46951 C CA . ILE A 1 10 ? -17.264 -0.977 2.648 1.00 0.00 ? 10 ILE A CA 34 ATOM 46952 C C . ILE A 1 10 ? -16.361 -1.102 3.873 1.00 0.00 ? 10 ILE A C 34 ATOM 46953 O O . ILE A 1 10 ? -15.299 -0.486 3.942 1.00 0.00 ? 10 ILE A O 34 ATOM 46954 C CB . ILE A 1 10 ? -18.257 0.206 2.807 1.00 0.00 ? 10 ILE A CB 34 ATOM 46955 C CG1 . ILE A 1 10 ? -18.863 0.564 1.448 1.00 0.00 ? 10 ILE A CG1 34 ATOM 46956 C CG2 . ILE A 1 10 ? -17.605 1.435 3.428 1.00 0.00 ? 10 ILE A CG2 34 ATOM 46957 C CD1 . ILE A 1 10 ? -20.117 1.405 1.546 1.00 0.00 ? 10 ILE A CD1 34 ATOM 46958 H H . ILE A 1 10 ? -18.856 -2.324 2.886 1.00 0.00 ? 10 ILE A H 34 ATOM 46959 H HA . ILE A 1 10 ? -16.652 -0.800 1.776 1.00 0.00 ? 10 ILE A HA 34 ATOM 46960 H HB . ILE A 1 10 ? -19.052 -0.112 3.464 1.00 0.00 ? 10 ILE A HB 34 ATOM 46961 H HG12 . ILE A 1 10 ? -18.136 1.119 0.874 1.00 0.00 ? 10 ILE A HG12 34 ATOM 46962 H HG13 . ILE A 1 10 ? -19.112 -0.346 0.922 1.00 0.00 ? 10 ILE A HG13 34 ATOM 46963 H HG21 . ILE A 1 10 ? -17.110 1.157 4.346 1.00 0.00 ? 10 ILE A HG21 34 ATOM 46964 H HG22 . ILE A 1 10 ? -16.885 1.849 2.739 1.00 0.00 ? 10 ILE A HG22 34 ATOM 46965 H HG23 . ILE A 1 10 ? -18.367 2.172 3.641 1.00 0.00 ? 10 ILE A HG23 34 ATOM 46966 H HD11 . ILE A 1 10 ? -20.713 1.065 2.379 1.00 0.00 ? 10 ILE A HD11 34 ATOM 46967 H HD12 . ILE A 1 10 ? -19.845 2.439 1.696 1.00 0.00 ? 10 ILE A HD12 34 ATOM 46968 H HD13 . ILE A 1 10 ? -20.685 1.312 0.633 1.00 0.00 ? 10 ILE A HD13 34 ATOM 46969 N N . SER A 1 11 ? -16.783 -1.921 4.828 1.00 0.00 ? 11 SER A N 34 ATOM 46970 C CA . SER A 1 11 ? -16.001 -2.141 6.034 1.00 0.00 ? 11 SER A CA 34 ATOM 46971 C C . SER A 1 11 ? -14.880 -3.127 5.743 1.00 0.00 ? 11 SER A C 34 ATOM 46972 O O . SER A 1 11 ? -13.799 -3.054 6.331 1.00 0.00 ? 11 SER A O 34 ATOM 46973 C CB . SER A 1 11 ? -16.889 -2.666 7.164 1.00 0.00 ? 11 SER A CB 34 ATOM 46974 O OG . SER A 1 11 ? -17.746 -3.696 6.702 1.00 0.00 ? 11 SER A OG 34 ATOM 46975 H H . SER A 1 11 ? -17.632 -2.399 4.713 1.00 0.00 ? 11 SER A H 34 ATOM 46976 H HA . SER A 1 11 ? -15.568 -1.196 6.329 1.00 0.00 ? 11 SER A HA 34 ATOM 46977 H HB2 . SER A 1 11 ? -16.267 -3.061 7.953 1.00 0.00 ? 11 SER A HB2 34 ATOM 46978 H HB3 . SER A 1 11 ? -17.492 -1.858 7.551 1.00 0.00 ? 11 SER A HB3 34 ATOM 46979 H HG . SER A 1 11 ? -18.462 -3.821 7.330 1.00 0.00 ? 11 SER A HG 34 ATOM 46980 N N . HIS A 1 12 ? -15.144 -4.041 4.816 1.00 0.00 ? 12 HIS A N 34 ATOM 46981 C CA . HIS A 1 12 ? -14.161 -5.038 4.427 1.00 0.00 ? 12 HIS A CA 34 ATOM 46982 C C . HIS A 1 12 ? -13.113 -4.401 3.512 1.00 0.00 ? 12 HIS A C 34 ATOM 46983 O O . HIS A 1 12 ? -11.913 -4.544 3.743 1.00 0.00 ? 12 HIS A O 34 ATOM 46984 C CB . HIS A 1 12 ? -14.874 -6.242 3.771 1.00 0.00 ? 12 HIS A CB 34 ATOM 46985 C CG . HIS A 1 12 ? -14.202 -6.816 2.555 1.00 0.00 ? 12 HIS A CG 34 ATOM 46986 N ND1 . HIS A 1 12 ? -13.313 -7.869 2.608 1.00 0.00 ? 12 HIS A ND1 34 ATOM 46987 C CD2 . HIS A 1 12 ? -14.302 -6.472 1.253 1.00 0.00 ? 12 HIS A CD2 34 ATOM 46988 C CE1 . HIS A 1 12 ? -12.893 -8.147 1.385 1.00 0.00 ? 12 HIS A CE1 34 ATOM 46989 N NE2 . HIS A 1 12 ? -13.480 -7.315 0.546 1.00 0.00 ? 12 HIS A NE2 34 ATOM 46990 H H . HIS A 1 12 ? -16.020 -4.040 4.375 1.00 0.00 ? 12 HIS A H 34 ATOM 46991 H HA . HIS A 1 12 ? -13.665 -5.371 5.327 1.00 0.00 ? 12 HIS A HA 34 ATOM 46992 H HB2 . HIS A 1 12 ? -14.952 -7.035 4.499 1.00 0.00 ? 12 HIS A HB2 34 ATOM 46993 H HB3 . HIS A 1 12 ? -15.871 -5.937 3.482 1.00 0.00 ? 12 HIS A HB3 34 ATOM 46994 H HD1 . HIS A 1 12 ? -13.030 -8.340 3.419 1.00 0.00 ? 12 HIS A HD1 34 ATOM 46995 H HD2 . HIS A 1 12 ? -14.917 -5.680 0.846 1.00 0.00 ? 12 HIS A HD2 34 ATOM 46996 H HE1 . HIS A 1 12 ? -12.192 -8.924 1.119 1.00 0.00 ? 12 HIS A HE1 34 ATOM 46997 H HE2 . HIS A 1 12 ? -13.348 -7.302 -0.425 1.00 0.00 ? 12 HIS A HE2 34 ATOM 46998 N N . HIS A 1 13 ? -13.566 -3.681 2.485 1.00 0.00 ? 13 HIS A N 34 ATOM 46999 C CA . HIS A 1 13 ? -12.640 -3.022 1.577 1.00 0.00 ? 13 HIS A CA 34 ATOM 47000 C C . HIS A 1 13 ? -11.865 -1.944 2.315 1.00 0.00 ? 13 HIS A C 34 ATOM 47001 O O . HIS A 1 13 ? -10.750 -1.606 1.937 1.00 0.00 ? 13 HIS A O 34 ATOM 47002 C CB . HIS A 1 13 ? -13.376 -2.387 0.405 1.00 0.00 ? 13 HIS A CB 34 ATOM 47003 C CG . HIS A 1 13 ? -14.049 -3.359 -0.500 1.00 0.00 ? 13 HIS A CG 34 ATOM 47004 N ND1 . HIS A 1 13 ? -13.602 -4.644 -0.715 1.00 0.00 ? 13 HIS A ND1 34 ATOM 47005 C CD2 . HIS A 1 13 ? -15.152 -3.210 -1.254 1.00 0.00 ? 13 HIS A CD2 34 ATOM 47006 C CE1 . HIS A 1 13 ? -14.411 -5.247 -1.570 1.00 0.00 ? 13 HIS A CE1 34 ATOM 47007 N NE2 . HIS A 1 13 ? -15.361 -4.397 -1.912 1.00 0.00 ? 13 HIS A NE2 34 ATOM 47008 H H . HIS A 1 13 ? -14.535 -3.580 2.345 1.00 0.00 ? 13 HIS A H 34 ATOM 47009 H HA . HIS A 1 13 ? -11.948 -3.763 1.205 1.00 0.00 ? 13 HIS A HA 34 ATOM 47010 H HB2 . HIS A 1 13 ? -14.133 -1.725 0.786 1.00 0.00 ? 13 HIS A HB2 34 ATOM 47011 H HB3 . HIS A 1 13 ? -12.672 -1.817 -0.184 1.00 0.00 ? 13 HIS A HB3 34 ATOM 47012 H HD1 . HIS A 1 13 ? -12.812 -5.054 -0.304 1.00 0.00 ? 13 HIS A HD1 34 ATOM 47013 H HD2 . HIS A 1 13 ? -15.753 -2.316 -1.323 1.00 0.00 ? 13 HIS A HD2 34 ATOM 47014 H HE1 . HIS A 1 13 ? -14.311 -6.263 -1.927 1.00 0.00 ? 13 HIS A HE1 34 ATOM 47015 H HE2 . HIS A 1 13 ? -16.094 -4.585 -2.535 1.00 0.00 ? 13 HIS A HE2 34 ATOM 47016 N N . ALA A 1 14 ? -12.470 -1.401 3.369 1.00 0.00 ? 14 ALA A N 34 ATOM 47017 C CA . ALA A 1 14 ? -11.833 -0.355 4.157 1.00 0.00 ? 14 ALA A CA 34 ATOM 47018 C C . ALA A 1 14 ? -10.608 -0.897 4.882 1.00 0.00 ? 14 ALA A C 34 ATOM 47019 O O . ALA A 1 14 ? -9.524 -0.318 4.805 1.00 0.00 ? 14 ALA A O 34 ATOM 47020 C CB . ALA A 1 14 ? -12.820 0.238 5.150 1.00 0.00 ? 14 ALA A CB 34 ATOM 47021 H H . ALA A 1 14 ? -13.368 -1.708 3.618 1.00 0.00 ? 14 ALA A H 34 ATOM 47022 H HA . ALA A 1 14 ? -11.519 0.429 3.480 1.00 0.00 ? 14 ALA A HA 34 ATOM 47023 H HB1 . ALA A 1 14 ? -12.280 0.703 5.961 1.00 0.00 ? 14 ALA A HB1 34 ATOM 47024 H HB2 . ALA A 1 14 ? -13.431 0.978 4.653 1.00 0.00 ? 14 ALA A HB2 34 ATOM 47025 H HB3 . ALA A 1 14 ? -13.452 -0.546 5.541 1.00 0.00 ? 14 ALA A HB3 34 ATOM 47026 N N . LYS A 1 15 ? -10.782 -2.016 5.579 1.00 0.00 ? 15 LYS A N 34 ATOM 47027 C CA . LYS A 1 15 ? -9.677 -2.631 6.303 1.00 0.00 ? 15 LYS A CA 34 ATOM 47028 C C . LYS A 1 15 ? -8.609 -3.115 5.327 1.00 0.00 ? 15 LYS A C 34 ATOM 47029 O O . LYS A 1 15 ? -7.427 -3.193 5.667 1.00 0.00 ? 15 LYS A O 34 ATOM 47030 C CB . LYS A 1 15 ? -10.181 -3.800 7.152 1.00 0.00 ? 15 LYS A CB 34 ATOM 47031 C CG . LYS A 1 15 ? -11.061 -4.775 6.386 1.00 0.00 ? 15 LYS A CG 34 ATOM 47032 C CD . LYS A 1 15 ? -11.317 -6.042 7.187 1.00 0.00 ? 15 LYS A CD 34 ATOM 47033 C CE . LYS A 1 15 ? -10.016 -6.690 7.634 1.00 0.00 ? 15 LYS A CE 34 ATOM 47034 N NZ . LYS A 1 15 ? -9.575 -6.190 8.965 1.00 0.00 ? 15 LYS A NZ 34 ATOM 47035 H H . LYS A 1 15 ? -11.668 -2.441 5.599 1.00 0.00 ? 15 LYS A H 34 ATOM 47036 H HA . LYS A 1 15 ? -9.246 -1.883 6.951 1.00 0.00 ? 15 LYS A HA 34 ATOM 47037 H HB2 . LYS A 1 15 ? -9.330 -4.343 7.537 1.00 0.00 ? 15 LYS A HB2 34 ATOM 47038 H HB3 . LYS A 1 15 ? -10.751 -3.408 7.981 1.00 0.00 ? 15 LYS A HB3 34 ATOM 47039 H HG2 . LYS A 1 15 ? -12.006 -4.300 6.171 1.00 0.00 ? 15 LYS A HG2 34 ATOM 47040 H HG3 . LYS A 1 15 ? -10.569 -5.037 5.461 1.00 0.00 ? 15 LYS A HG3 34 ATOM 47041 H HD2 . LYS A 1 15 ? -11.901 -5.793 8.060 1.00 0.00 ? 15 LYS A HD2 34 ATOM 47042 H HD3 . LYS A 1 15 ? -11.865 -6.739 6.571 1.00 0.00 ? 15 LYS A HD3 34 ATOM 47043 H HE2 . LYS A 1 15 ? -10.163 -7.759 7.691 1.00 0.00 ? 15 LYS A HE2 34 ATOM 47044 H HE3 . LYS A 1 15 ? -9.251 -6.472 6.904 1.00 0.00 ? 15 LYS A HE3 34 ATOM 47045 H HZ1 . LYS A 1 15 ? -10.305 -5.574 9.376 1.00 0.00 ? 15 LYS A HZ1 34 ATOM 47046 H HZ2 . LYS A 1 15 ? -9.409 -6.989 9.610 1.00 0.00 ? 15 LYS A HZ2 34 ATOM 47047 H HZ3 . LYS A 1 15 ? -8.693 -5.647 8.869 1.00 0.00 ? 15 LYS A HZ3 34 ATOM 47048 N N . GLU A 1 16 ? -9.038 -3.438 4.111 1.00 0.00 ? 16 GLU A N 34 ATOM 47049 C CA . GLU A 1 16 ? -8.129 -3.917 3.080 1.00 0.00 ? 16 GLU A CA 34 ATOM 47050 C C . GLU A 1 16 ? -7.213 -2.801 2.587 1.00 0.00 ? 16 GLU A C 34 ATOM 47051 O O . GLU A 1 16 ? -6.021 -3.020 2.372 1.00 0.00 ? 16 GLU A O 34 ATOM 47052 C CB . GLU A 1 16 ? -8.919 -4.498 1.906 1.00 0.00 ? 16 GLU A CB 34 ATOM 47053 C CG . GLU A 1 16 ? -9.239 -5.976 2.061 1.00 0.00 ? 16 GLU A CG 34 ATOM 47054 C CD . GLU A 1 16 ? -9.757 -6.318 3.445 1.00 0.00 ? 16 GLU A CD 34 ATOM 47055 O OE1 . GLU A 1 16 ? -8.997 -6.151 4.421 1.00 0.00 ? 16 GLU A OE1 34 ATOM 47056 O OE2 . GLU A 1 16 ? -10.923 -6.755 3.551 1.00 0.00 ? 16 GLU A OE2 34 ATOM 47057 H H . GLU A 1 16 ? -9.993 -3.354 3.904 1.00 0.00 ? 16 GLU A H 34 ATOM 47058 H HA . GLU A 1 16 ? -7.522 -4.698 3.512 1.00 0.00 ? 16 GLU A HA 34 ATOM 47059 H HB2 . GLU A 1 16 ? -9.849 -3.958 1.811 1.00 0.00 ? 16 GLU A HB2 34 ATOM 47060 H HB3 . GLU A 1 16 ? -8.343 -4.370 1.001 1.00 0.00 ? 16 GLU A HB3 34 ATOM 47061 H HG2 . GLU A 1 16 ? -9.992 -6.247 1.336 1.00 0.00 ? 16 GLU A HG2 34 ATOM 47062 H HG3 . GLU A 1 16 ? -8.341 -6.548 1.877 1.00 0.00 ? 16 GLU A HG3 34 ATOM 47063 N N . ILE A 1 17 ? -7.768 -1.604 2.403 1.00 0.00 ? 17 ILE A N 34 ATOM 47064 C CA . ILE A 1 17 ? -6.981 -0.474 1.930 1.00 0.00 ? 17 ILE A CA 34 ATOM 47065 C C . ILE A 1 17 ? -5.957 -0.047 2.988 1.00 0.00 ? 17 ILE A C 34 ATOM 47066 O O . ILE A 1 17 ? -4.835 0.334 2.666 1.00 0.00 ? 17 ILE A O 34 ATOM 47067 C CB . ILE A 1 17 ? -7.886 0.720 1.515 1.00 0.00 ? 17 ILE A CB 34 ATOM 47068 C CG1 . ILE A 1 17 ? -8.272 1.595 2.717 1.00 0.00 ? 17 ILE A CG1 34 ATOM 47069 C CG2 . ILE A 1 17 ? -9.142 0.214 0.822 1.00 0.00 ? 17 ILE A CG2 34 ATOM 47070 C CD1 . ILE A 1 17 ? -7.357 2.784 2.917 1.00 0.00 ? 17 ILE A CD1 34 ATOM 47071 H H . ILE A 1 17 ? -8.726 -1.479 2.585 1.00 0.00 ? 17 ILE A H 34 ATOM 47072 H HA . ILE A 1 17 ? -6.441 -0.800 1.051 1.00 0.00 ? 17 ILE A HA 34 ATOM 47073 H HB . ILE A 1 17 ? -7.339 1.318 0.800 1.00 0.00 ? 17 ILE A HB 34 ATOM 47074 H HG12 . ILE A 1 17 ? -9.274 1.969 2.574 1.00 0.00 ? 17 ILE A HG12 34 ATOM 47075 H HG13 . ILE A 1 17 ? -8.240 0.996 3.615 1.00 0.00 ? 17 ILE A HG13 34 ATOM 47076 H HG21 . ILE A 1 17 ? -9.098 -0.858 0.725 1.00 0.00 ? 17 ILE A HG21 34 ATOM 47077 H HG22 . ILE A 1 17 ? -10.009 0.488 1.404 1.00 0.00 ? 17 ILE A HG22 34 ATOM 47078 H HG23 . ILE A 1 17 ? -9.214 0.661 -0.157 1.00 0.00 ? 17 ILE A HG23 34 ATOM 47079 H HD11 . ILE A 1 17 ? -7.073 3.185 1.955 1.00 0.00 ? 17 ILE A HD11 34 ATOM 47080 H HD12 . ILE A 1 17 ? -7.874 3.543 3.484 1.00 0.00 ? 17 ILE A HD12 34 ATOM 47081 H HD13 . ILE A 1 17 ? -6.473 2.472 3.452 1.00 0.00 ? 17 ILE A HD13 34 ATOM 47082 N N . GLU A 1 18 ? -6.351 -0.127 4.252 1.00 0.00 ? 18 GLU A N 34 ATOM 47083 C CA . GLU A 1 18 ? -5.461 0.242 5.346 1.00 0.00 ? 18 GLU A CA 34 ATOM 47084 C C . GLU A 1 18 ? -4.332 -0.774 5.484 1.00 0.00 ? 18 GLU A C 34 ATOM 47085 O O . GLU A 1 18 ? -3.233 -0.442 5.930 1.00 0.00 ? 18 GLU A O 34 ATOM 47086 C CB . GLU A 1 18 ? -6.242 0.339 6.657 1.00 0.00 ? 18 GLU A CB 34 ATOM 47087 C CG . GLU A 1 18 ? -7.148 1.557 6.736 1.00 0.00 ? 18 GLU A CG 34 ATOM 47088 C CD . GLU A 1 18 ? -6.382 2.837 7.007 1.00 0.00 ? 18 GLU A CD 34 ATOM 47089 O OE1 . GLU A 1 18 ? -5.691 3.322 6.087 1.00 0.00 ? 18 GLU A OE1 34 ATOM 47090 O OE2 . GLU A 1 18 ? -6.473 3.354 8.140 1.00 0.00 ? 18 GLU A OE2 34 ATOM 47091 H H . GLU A 1 18 ? -7.254 -0.448 4.455 1.00 0.00 ? 18 GLU A H 34 ATOM 47092 H HA . GLU A 1 18 ? -5.036 1.207 5.116 1.00 0.00 ? 18 GLU A HA 34 ATOM 47093 H HB2 . GLU A 1 18 ? -6.853 -0.545 6.765 1.00 0.00 ? 18 GLU A HB2 34 ATOM 47094 H HB3 . GLU A 1 18 ? -5.542 0.385 7.477 1.00 0.00 ? 18 GLU A HB3 34 ATOM 47095 H HG2 . GLU A 1 18 ? -7.672 1.662 5.798 1.00 0.00 ? 18 GLU A HG2 34 ATOM 47096 H HG3 . GLU A 1 18 ? -7.863 1.406 7.532 1.00 0.00 ? 18 GLU A HG3 34 ATOM 47097 N N . ARG A 1 19 ? -4.614 -2.016 5.101 1.00 0.00 ? 19 ARG A N 34 ATOM 47098 C CA . ARG A 1 19 ? -3.628 -3.087 5.186 1.00 0.00 ? 19 ARG A CA 34 ATOM 47099 C C . ARG A 1 19 ? -2.525 -2.920 4.141 1.00 0.00 ? 19 ARG A C 34 ATOM 47100 O O . ARG A 1 19 ? -1.344 -3.111 4.439 1.00 0.00 ? 19 ARG A O 34 ATOM 47101 C CB . ARG A 1 19 ? -4.307 -4.446 5.009 1.00 0.00 ? 19 ARG A CB 34 ATOM 47102 C CG . ARG A 1 19 ? -3.910 -5.466 6.064 1.00 0.00 ? 19 ARG A CG 34 ATOM 47103 C CD . ARG A 1 19 ? -4.623 -5.210 7.382 1.00 0.00 ? 19 ARG A CD 34 ATOM 47104 N NE . ARG A 1 19 ? -5.170 -6.436 7.953 1.00 0.00 ? 19 ARG A NE 34 ATOM 47105 C CZ . ARG A 1 19 ? -5.615 -6.532 9.202 1.00 0.00 ? 19 ARG A CZ 34 ATOM 47106 N NH1 . ARG A 1 19 ? -5.577 -5.477 10.004 1.00 0.00 ? 19 ARG A NH1 34 ATOM 47107 N NH2 . ARG A 1 19 ? -6.100 -7.683 9.649 1.00 0.00 ? 19 ARG A NH2 34 ATOM 47108 H H . ARG A 1 19 ? -5.510 -2.219 4.758 1.00 0.00 ? 19 ARG A H 34 ATOM 47109 H HA . ARG A 1 19 ? -3.181 -3.046 6.168 1.00 0.00 ? 19 ARG A HA 34 ATOM 47110 H HB2 . ARG A 1 19 ? -5.377 -4.309 5.056 1.00 0.00 ? 19 ARG A HB2 34 ATOM 47111 H HB3 . ARG A 1 19 ? -4.046 -4.843 4.039 1.00 0.00 ? 19 ARG A HB3 34 ATOM 47112 H HG2 . ARG A 1 19 ? -4.168 -6.453 5.711 1.00 0.00 ? 19 ARG A HG2 34 ATOM 47113 H HG3 . ARG A 1 19 ? -2.843 -5.406 6.224 1.00 0.00 ? 19 ARG A HG3 34 ATOM 47114 H HD2 . ARG A 1 19 ? -3.920 -4.782 8.080 1.00 0.00 ? 19 ARG A HD2 34 ATOM 47115 H HD3 . ARG A 1 19 ? -5.429 -4.512 7.210 1.00 0.00 ? 19 ARG A HD3 34 ATOM 47116 H HE . ARG A 1 19 ? -5.209 -7.229 7.377 1.00 0.00 ? 19 ARG A HE 34 ATOM 47117 H HH11 . ARG A 1 19 ? -5.212 -4.608 9.669 1.00 0.00 ? 19 ARG A HH11 34 ATOM 47118 H HH12 . ARG A 1 19 ? -5.913 -5.549 10.943 1.00 0.00 ? 19 ARG A HH12 34 ATOM 47119 H HH21 . ARG A 1 19 ? -6.131 -8.480 9.047 1.00 0.00 ? 19 ARG A HH21 34 ATOM 47120 H HH22 . ARG A 1 19 ? -6.434 -7.752 10.589 1.00 0.00 ? 19 ARG A HH22 34 ATOM 47121 N N . LEU A 1 20 ? -2.908 -2.567 2.916 1.00 0.00 ? 20 LEU A N 34 ATOM 47122 C CA . LEU A 1 20 ? -1.939 -2.387 1.848 1.00 0.00 ? 20 LEU A CA 34 ATOM 47123 C C . LEU A 1 20 ? -1.153 -1.099 2.051 1.00 0.00 ? 20 LEU A C 34 ATOM 47124 O O . LEU A 1 20 ? 0.001 -0.995 1.638 1.00 0.00 ? 20 LEU A O 34 ATOM 47125 C CB . LEU A 1 20 ? -2.641 -2.377 0.488 1.00 0.00 ? 20 LEU A CB 34 ATOM 47126 C CG . LEU A 1 20 ? -3.056 -3.752 -0.039 1.00 0.00 ? 20 LEU A CG 34 ATOM 47127 C CD1 . LEU A 1 20 ? -1.892 -4.728 0.040 1.00 0.00 ? 20 LEU A CD1 34 ATOM 47128 C CD2 . LEU A 1 20 ? -4.252 -4.281 0.738 1.00 0.00 ? 20 LEU A CD2 34 ATOM 47129 H H . LEU A 1 20 ? -3.857 -2.423 2.727 1.00 0.00 ? 20 LEU A H 34 ATOM 47130 H HA . LEU A 1 20 ? -1.253 -3.220 1.881 1.00 0.00 ? 20 LEU A HA 34 ATOM 47131 H HB2 . LEU A 1 20 ? -3.526 -1.763 0.569 1.00 0.00 ? 20 LEU A HB2 34 ATOM 47132 H HB3 . LEU A 1 20 ? -1.975 -1.926 -0.233 1.00 0.00 ? 20 LEU A HB3 34 ATOM 47133 H HG . LEU A 1 20 ? -3.344 -3.660 -1.076 1.00 0.00 ? 20 LEU A HG 34 ATOM 47134 H HD11 . LEU A 1 20 ? -1.009 -4.268 -0.379 1.00 0.00 ? 20 LEU A HD11 34 ATOM 47135 H HD12 . LEU A 1 20 ? -1.708 -4.987 1.071 1.00 0.00 ? 20 LEU A HD12 34 ATOM 47136 H HD13 . LEU A 1 20 ? -2.133 -5.620 -0.519 1.00 0.00 ? 20 LEU A HD13 34 ATOM 47137 H HD21 . LEU A 1 20 ? -4.056 -4.203 1.797 1.00 0.00 ? 20 LEU A HD21 34 ATOM 47138 H HD22 . LEU A 1 20 ? -5.127 -3.698 0.491 1.00 0.00 ? 20 LEU A HD22 34 ATOM 47139 H HD23 . LEU A 1 20 ? -4.422 -5.314 0.477 1.00 0.00 ? 20 LEU A HD23 34 ATOM 47140 N N . GLN A 1 21 ? -1.781 -0.122 2.701 1.00 0.00 ? 21 GLN A N 34 ATOM 47141 C CA . GLN A 1 21 ? -1.132 1.156 2.972 1.00 0.00 ? 21 GLN A CA 34 ATOM 47142 C C . GLN A 1 21 ? -0.121 1.011 4.101 1.00 0.00 ? 21 GLN A C 34 ATOM 47143 O O . GLN A 1 21 ? 0.867 1.744 4.165 1.00 0.00 ? 21 GLN A O 34 ATOM 47144 C CB . GLN A 1 21 ? -2.170 2.221 3.332 1.00 0.00 ? 21 GLN A CB 34 ATOM 47145 C CG . GLN A 1 21 ? -2.005 3.516 2.552 1.00 0.00 ? 21 GLN A CG 34 ATOM 47146 C CD . GLN A 1 21 ? -3.234 4.401 2.623 1.00 0.00 ? 21 GLN A CD 34 ATOM 47147 O OE1 . GLN A 1 21 ? -3.586 5.073 1.654 1.00 0.00 ? 21 GLN A OE1 34 ATOM 47148 N NE2 . GLN A 1 21 ? -3.894 4.405 3.775 1.00 0.00 ? 21 GLN A NE2 34 ATOM 47149 H H . GLN A 1 21 ? -2.698 -0.269 3.015 1.00 0.00 ? 21 GLN A H 34 ATOM 47150 H HA . GLN A 1 21 ? -0.612 1.458 2.076 1.00 0.00 ? 21 GLN A HA 34 ATOM 47151 H HB2 . GLN A 1 21 ? -3.157 1.829 3.134 1.00 0.00 ? 21 GLN A HB2 34 ATOM 47152 H HB3 . GLN A 1 21 ? -2.086 2.447 4.384 1.00 0.00 ? 21 GLN A HB3 34 ATOM 47153 H HG2 . GLN A 1 21 ? -1.165 4.061 2.958 1.00 0.00 ? 21 GLN A HG2 34 ATOM 47154 H HG3 . GLN A 1 21 ? -1.811 3.276 1.517 1.00 0.00 ? 21 GLN A HG3 34 ATOM 47155 H HE21 . GLN A 1 21 ? -3.557 3.845 4.505 1.00 0.00 ? 21 GLN A HE21 34 ATOM 47156 H HE22 . GLN A 1 21 ? -4.693 4.968 3.849 1.00 0.00 ? 21 GLN A HE22 34 ATOM 47157 N N . LYS A 1 22 ? -0.369 0.055 4.987 1.00 0.00 ? 22 LYS A N 34 ATOM 47158 C CA . LYS A 1 22 ? 0.527 -0.193 6.106 1.00 0.00 ? 22 LYS A CA 34 ATOM 47159 C C . LYS A 1 22 ? 1.752 -0.964 5.632 1.00 0.00 ? 22 LYS A C 34 ATOM 47160 O O . LYS A 1 22 ? 2.852 -0.791 6.158 1.00 0.00 ? 22 LYS A O 34 ATOM 47161 C CB . LYS A 1 22 ? -0.193 -0.969 7.210 1.00 0.00 ? 22 LYS A CB 34 ATOM 47162 C CG . LYS A 1 22 ? -0.392 -0.167 8.486 1.00 0.00 ? 22 LYS A CG 34 ATOM 47163 C CD . LYS A 1 22 ? -1.803 0.391 8.579 1.00 0.00 ? 22 LYS A CD 34 ATOM 47164 C CE . LYS A 1 22 ? -1.873 1.819 8.066 1.00 0.00 ? 22 LYS A CE 34 ATOM 47165 N NZ . LYS A 1 22 ? -1.521 2.808 9.122 1.00 0.00 ? 22 LYS A NZ 34 ATOM 47166 H H . LYS A 1 22 ? -1.170 -0.502 4.882 1.00 0.00 ? 22 LYS A H 34 ATOM 47167 H HA . LYS A 1 22 ? 0.846 0.763 6.494 1.00 0.00 ? 22 LYS A HA 34 ATOM 47168 H HB2 . LYS A 1 22 ? -1.163 -1.273 6.846 1.00 0.00 ? 22 LYS A HB2 34 ATOM 47169 H HB3 . LYS A 1 22 ? 0.384 -1.850 7.450 1.00 0.00 ? 22 LYS A HB3 34 ATOM 47170 H HG2 . LYS A 1 22 ? -0.212 -0.810 9.335 1.00 0.00 ? 22 LYS A HG2 34 ATOM 47171 H HG3 . LYS A 1 22 ? 0.311 0.652 8.498 1.00 0.00 ? 22 LYS A HG3 34 ATOM 47172 H HD2 . LYS A 1 22 ? -2.464 -0.226 7.989 1.00 0.00 ? 22 LYS A HD2 34 ATOM 47173 H HD3 . LYS A 1 22 ? -2.118 0.373 9.613 1.00 0.00 ? 22 LYS A HD3 34 ATOM 47174 H HE2 . LYS A 1 22 ? -1.183 1.926 7.242 1.00 0.00 ? 22 LYS A HE2 34 ATOM 47175 H HE3 . LYS A 1 22 ? -2.877 2.016 7.721 1.00 0.00 ? 22 LYS A HE3 34 ATOM 47176 H HZ1 . LYS A 1 22 ? -1.136 2.319 9.956 1.00 0.00 ? 22 LYS A HZ1 34 ATOM 47177 H HZ2 . LYS A 1 22 ? -0.806 3.475 8.764 1.00 0.00 ? 22 LYS A HZ2 34 ATOM 47178 H HZ3 . LYS A 1 22 ? -2.364 3.344 9.407 1.00 0.00 ? 22 LYS A HZ3 34 ATOM 47179 N N . GLU A 1 23 ? 1.553 -1.811 4.625 1.00 0.00 ? 23 GLU A N 34 ATOM 47180 C CA . GLU A 1 23 ? 2.644 -2.602 4.069 1.00 0.00 ? 23 GLU A CA 34 ATOM 47181 C C . GLU A 1 23 ? 3.596 -1.717 3.272 1.00 0.00 ? 23 GLU A C 34 ATOM 47182 O O . GLU A 1 23 ? 4.811 -1.802 3.432 1.00 0.00 ? 23 GLU A O 34 ATOM 47183 C CB . GLU A 1 23 ? 2.094 -3.720 3.181 1.00 0.00 ? 23 GLU A CB 34 ATOM 47184 C CG . GLU A 1 23 ? 1.083 -4.611 3.882 1.00 0.00 ? 23 GLU A CG 34 ATOM 47185 C CD . GLU A 1 23 ? 1.701 -5.893 4.407 1.00 0.00 ? 23 GLU A CD 34 ATOM 47186 O OE1 . GLU A 1 23 ? 2.389 -5.837 5.448 1.00 0.00 ? 23 GLU A OE1 34 ATOM 47187 O OE2 . GLU A 1 23 ? 1.497 -6.952 3.778 1.00 0.00 ? 23 GLU A OE2 34 ATOM 47188 H H . GLU A 1 23 ? 0.654 -1.901 4.244 1.00 0.00 ? 23 GLU A H 34 ATOM 47189 H HA . GLU A 1 23 ? 3.188 -3.040 4.893 1.00 0.00 ? 23 GLU A HA 34 ATOM 47190 H HB2 . GLU A 1 23 ? 1.616 -3.277 2.320 1.00 0.00 ? 23 GLU A HB2 34 ATOM 47191 H HB3 . GLU A 1 23 ? 2.916 -4.336 2.848 1.00 0.00 ? 23 GLU A HB3 34 ATOM 47192 H HG2 . GLU A 1 23 ? 0.658 -4.069 4.713 1.00 0.00 ? 23 GLU A HG2 34 ATOM 47193 H HG3 . GLU A 1 23 ? 0.301 -4.867 3.182 1.00 0.00 ? 23 GLU A HG3 34 ATOM 47194 N N . ILE A 1 24 ? 3.036 -0.859 2.423 1.00 0.00 ? 24 ILE A N 34 ATOM 47195 C CA . ILE A 1 24 ? 3.843 0.052 1.614 1.00 0.00 ? 24 ILE A CA 34 ATOM 47196 C C . ILE A 1 24 ? 4.616 1.012 2.520 1.00 0.00 ? 24 ILE A C 34 ATOM 47197 O O . ILE A 1 24 ? 5.763 1.360 2.241 1.00 0.00 ? 24 ILE A O 34 ATOM 47198 C CB . ILE A 1 24 ? 2.961 0.840 0.599 1.00 0.00 ? 24 ILE A CB 34 ATOM 47199 C CG1 . ILE A 1 24 ? 3.687 2.057 0.005 1.00 0.00 ? 24 ILE A CG1 34 ATOM 47200 C CG2 . ILE A 1 24 ? 1.667 1.291 1.248 1.00 0.00 ? 24 ILE A CG2 34 ATOM 47201 C CD1 . ILE A 1 24 ? 5.144 1.827 -0.298 1.00 0.00 ? 24 ILE A CD1 34 ATOM 47202 H H . ILE A 1 24 ? 2.060 -0.836 2.345 1.00 0.00 ? 24 ILE A H 34 ATOM 47203 H HA . ILE A 1 24 ? 4.552 -0.544 1.057 1.00 0.00 ? 24 ILE A HA 34 ATOM 47204 H HB . ILE A 1 24 ? 2.705 0.166 -0.205 1.00 0.00 ? 24 ILE A HB 34 ATOM 47205 H HG12 . ILE A 1 24 ? 3.204 2.337 -0.916 1.00 0.00 ? 24 ILE A HG12 34 ATOM 47206 H HG13 . ILE A 1 24 ? 3.620 2.880 0.702 1.00 0.00 ? 24 ILE A HG13 34 ATOM 47207 H HG21 . ILE A 1 24 ? 1.679 1.031 2.293 1.00 0.00 ? 24 ILE A HG21 34 ATOM 47208 H HG22 . ILE A 1 24 ? 1.566 2.362 1.145 1.00 0.00 ? 24 ILE A HG22 34 ATOM 47209 H HG23 . ILE A 1 24 ? 0.836 0.804 0.762 1.00 0.00 ? 24 ILE A HG23 34 ATOM 47210 H HD11 . ILE A 1 24 ? 5.388 0.788 -0.136 1.00 0.00 ? 24 ILE A HD11 34 ATOM 47211 H HD12 . ILE A 1 24 ? 5.341 2.088 -1.327 1.00 0.00 ? 24 ILE A HD12 34 ATOM 47212 H HD13 . ILE A 1 24 ? 5.747 2.445 0.350 1.00 0.00 ? 24 ILE A HD13 34 ATOM 47213 N N . GLU A 1 25 ? 3.985 1.426 3.614 1.00 0.00 ? 25 GLU A N 34 ATOM 47214 C CA . GLU A 1 25 ? 4.620 2.338 4.561 1.00 0.00 ? 25 GLU A CA 34 ATOM 47215 C C . GLU A 1 25 ? 5.865 1.710 5.188 1.00 0.00 ? 25 GLU A C 34 ATOM 47216 O O . GLU A 1 25 ? 6.921 2.342 5.261 1.00 0.00 ? 25 GLU A O 34 ATOM 47217 C CB . GLU A 1 25 ? 3.630 2.733 5.656 1.00 0.00 ? 25 GLU A CB 34 ATOM 47218 C CG . GLU A 1 25 ? 4.103 3.896 6.513 1.00 0.00 ? 25 GLU A CG 34 ATOM 47219 C CD . GLU A 1 25 ? 2.955 4.708 7.080 1.00 0.00 ? 25 GLU A CD 34 ATOM 47220 O OE1 . GLU A 1 25 ? 2.000 4.099 7.606 1.00 0.00 ? 25 GLU A OE1 34 ATOM 47221 O OE2 . GLU A 1 25 ? 3.010 5.953 6.995 1.00 0.00 ? 25 GLU A OE2 34 ATOM 47222 H H . GLU A 1 25 ? 3.073 1.109 3.793 1.00 0.00 ? 25 GLU A H 34 ATOM 47223 H HA . GLU A 1 25 ? 4.914 3.224 4.019 1.00 0.00 ? 25 GLU A HA 34 ATOM 47224 H HB2 . GLU A 1 25 ? 2.693 3.012 5.196 1.00 0.00 ? 25 GLU A HB2 34 ATOM 47225 H HB3 . GLU A 1 25 ? 3.465 1.882 6.301 1.00 0.00 ? 25 GLU A HB3 34 ATOM 47226 H HG2 . GLU A 1 25 ? 4.688 3.508 7.334 1.00 0.00 ? 25 GLU A HG2 34 ATOM 47227 H HG3 . GLU A 1 25 ? 4.721 4.544 5.908 1.00 0.00 ? 25 GLU A HG3 34 ATOM 47228 N N . ARG A 1 26 ? 5.735 0.468 5.649 1.00 0.00 ? 26 ARG A N 34 ATOM 47229 C CA . ARG A 1 26 ? 6.852 -0.234 6.279 1.00 0.00 ? 26 ARG A CA 34 ATOM 47230 C C . ARG A 1 26 ? 7.986 -0.481 5.289 1.00 0.00 ? 26 ARG A C 34 ATOM 47231 O O . ARG A 1 26 ? 9.166 -0.409 5.646 1.00 0.00 ? 26 ARG A O 34 ATOM 47232 C CB . ARG A 1 26 ? 6.375 -1.564 6.866 1.00 0.00 ? 26 ARG A CB 34 ATOM 47233 C CG . ARG A 1 26 ? 7.487 -2.379 7.506 1.00 0.00 ? 26 ARG A CG 34 ATOM 47234 C CD . ARG A 1 26 ? 7.614 -2.077 8.991 1.00 0.00 ? 26 ARG A CD 34 ATOM 47235 N NE . ARG A 1 26 ? 7.879 -3.281 9.773 1.00 0.00 ? 26 ARG A NE 34 ATOM 47236 C CZ . ARG A 1 26 ? 7.694 -3.361 11.087 1.00 0.00 ? 26 ARG A CZ 34 ATOM 47237 N NH1 . ARG A 1 26 ? 7.244 -2.311 11.760 1.00 0.00 ? 26 ARG A NH1 34 ATOM 47238 N NH2 . ARG A 1 26 ? 7.958 -4.491 11.728 1.00 0.00 ? 26 ARG A NH2 34 ATOM 47239 H H . ARG A 1 26 ? 4.868 0.014 5.568 1.00 0.00 ? 26 ARG A H 34 ATOM 47240 H HA . ARG A 1 26 ? 7.221 0.389 7.080 1.00 0.00 ? 26 ARG A HA 34 ATOM 47241 H HB2 . ARG A 1 26 ? 5.625 -1.365 7.617 1.00 0.00 ? 26 ARG A HB2 34 ATOM 47242 H HB3 . ARG A 1 26 ? 5.935 -2.154 6.076 1.00 0.00 ? 26 ARG A HB3 34 ATOM 47243 H HG2 . ARG A 1 26 ? 7.270 -3.429 7.380 1.00 0.00 ? 26 ARG A HG2 34 ATOM 47244 H HG3 . ARG A 1 26 ? 8.421 -2.141 7.019 1.00 0.00 ? 26 ARG A HG3 34 ATOM 47245 H HD2 . ARG A 1 26 ? 8.425 -1.379 9.135 1.00 0.00 ? 26 ARG A HD2 34 ATOM 47246 H HD3 . ARG A 1 26 ? 6.692 -1.632 9.334 1.00 0.00 ? 26 ARG A HD3 34 ATOM 47247 H HE . ARG A 1 26 ? 8.213 -4.068 9.295 1.00 0.00 ? 26 ARG A HE 34 ATOM 47248 H HH11 . ARG A 1 26 ? 7.043 -1.457 11.280 1.00 0.00 ? 26 ARG A HH11 34 ATOM 47249 H HH12 . ARG A 1 26 ? 7.105 -2.373 12.748 1.00 0.00 ? 26 ARG A HH12 34 ATOM 47250 H HH21 . ARG A 1 26 ? 8.298 -5.285 11.223 1.00 0.00 ? 26 ARG A HH21 34 ATOM 47251 H HH22 . ARG A 1 26 ? 7.818 -4.549 12.716 1.00 0.00 ? 26 ARG A HH22 34 ATOM 47252 N N . HIS A 1 27 ? 7.629 -0.768 4.043 1.00 0.00 ? 27 HIS A N 34 ATOM 47253 C CA . HIS A 1 27 ? 8.618 -1.023 3.012 1.00 0.00 ? 27 HIS A CA 34 ATOM 47254 C C . HIS A 1 27 ? 9.283 0.274 2.571 1.00 0.00 ? 27 HIS A C 34 ATOM 47255 O O . HIS A 1 27 ? 10.394 0.262 2.044 1.00 0.00 ? 27 HIS A O 34 ATOM 47256 C CB . HIS A 1 27 ? 7.963 -1.720 1.818 1.00 0.00 ? 27 HIS A CB 34 ATOM 47257 C CG . HIS A 1 27 ? 8.502 -3.093 1.559 1.00 0.00 ? 27 HIS A CG 34 ATOM 47258 N ND1 . HIS A 1 27 ? 9.710 -3.323 0.933 1.00 0.00 ? 27 HIS A ND1 34 ATOM 47259 C CD2 . HIS A 1 27 ? 7.992 -4.314 1.847 1.00 0.00 ? 27 HIS A CD2 34 ATOM 47260 C CE1 . HIS A 1 27 ? 9.918 -4.625 0.847 1.00 0.00 ? 27 HIS A CE1 34 ATOM 47261 N NE2 . HIS A 1 27 ? 8.891 -5.247 1.395 1.00 0.00 ? 27 HIS A NE2 34 ATOM 47262 H H . HIS A 1 27 ? 6.681 -0.803 3.810 1.00 0.00 ? 27 HIS A H 34 ATOM 47263 H HA . HIS A 1 27 ? 9.370 -1.676 3.429 1.00 0.00 ? 27 HIS A HA 34 ATOM 47264 H HB2 . HIS A 1 27 ? 6.903 -1.810 2.000 1.00 0.00 ? 27 HIS A HB2 34 ATOM 47265 H HB3 . HIS A 1 27 ? 8.120 -1.127 0.932 1.00 0.00 ? 27 HIS A HB3 34 ATOM 47266 H HD1 . HIS A 1 27 ? 10.322 -2.634 0.601 1.00 0.00 ? 27 HIS A HD1 34 ATOM 47267 H HD2 . HIS A 1 27 ? 7.052 -4.514 2.342 1.00 0.00 ? 27 HIS A HD2 34 ATOM 47268 H HE1 . HIS A 1 27 ? 10.782 -5.099 0.406 1.00 0.00 ? 27 HIS A HE1 34 ATOM 47269 H HE2 . HIS A 1 27 ? 8.790 -6.219 1.466 1.00 0.00 ? 27 HIS A HE2 34 ATOM 47270 N N . LYS A 1 28 ? 8.598 1.393 2.795 1.00 0.00 ? 28 LYS A N 34 ATOM 47271 C CA . LYS A 1 28 ? 9.131 2.696 2.426 1.00 0.00 ? 28 LYS A CA 34 ATOM 47272 C C . LYS A 1 28 ? 10.191 3.139 3.425 1.00 0.00 ? 28 LYS A C 34 ATOM 47273 O O . LYS A 1 28 ? 11.153 3.820 3.067 1.00 0.00 ? 28 LYS A O 34 ATOM 47274 C CB . LYS A 1 28 ? 8.007 3.733 2.357 1.00 0.00 ? 28 LYS A CB 34 ATOM 47275 C CG . LYS A 1 28 ? 8.446 5.068 1.780 1.00 0.00 ? 28 LYS A CG 34 ATOM 47276 C CD . LYS A 1 28 ? 7.915 6.232 2.602 1.00 0.00 ? 28 LYS A CD 34 ATOM 47277 C CE . LYS A 1 28 ? 6.471 6.551 2.248 1.00 0.00 ? 28 LYS A CE 34 ATOM 47278 N NZ . LYS A 1 28 ? 5.857 7.497 3.219 1.00 0.00 ? 28 LYS A NZ 34 ATOM 47279 H H . LYS A 1 28 ? 7.718 1.341 3.221 1.00 0.00 ? 28 LYS A H 34 ATOM 47280 H HA . LYS A 1 28 ? 9.587 2.604 1.453 1.00 0.00 ? 28 LYS A HA 34 ATOM 47281 H HB2 . LYS A 1 28 ? 7.211 3.343 1.740 1.00 0.00 ? 28 LYS A HB2 34 ATOM 47282 H HB3 . LYS A 1 28 ? 7.629 3.902 3.354 1.00 0.00 ? 28 LYS A HB3 34 ATOM 47283 H HG2 . LYS A 1 28 ? 9.525 5.109 1.773 1.00 0.00 ? 28 LYS A HG2 34 ATOM 47284 H HG3 . LYS A 1 28 ? 8.073 5.153 0.770 1.00 0.00 ? 28 LYS A HG3 34 ATOM 47285 H HD2 . LYS A 1 28 ? 7.969 5.974 3.650 1.00 0.00 ? 28 LYS A HD2 34 ATOM 47286 H HD3 . LYS A 1 28 ? 8.524 7.103 2.412 1.00 0.00 ? 28 LYS A HD3 34 ATOM 47287 H HE2 . LYS A 1 28 ? 6.445 6.992 1.264 1.00 0.00 ? 28 LYS A HE2 34 ATOM 47288 H HE3 . LYS A 1 28 ? 5.904 5.632 2.245 1.00 0.00 ? 28 LYS A HE3 34 ATOM 47289 H HZ1 . LYS A 1 28 ? 6.573 7.825 3.900 1.00 0.00 ? 28 LYS A HZ1 34 ATOM 47290 H HZ2 . LYS A 1 28 ? 5.468 8.321 2.718 1.00 0.00 ? 28 LYS A HZ2 34 ATOM 47291 H HZ3 . LYS A 1 28 ? 5.090 7.027 3.741 1.00 0.00 ? 28 LYS A HZ3 34 ATOM 47292 N N . GLN A 1 29 ? 10.012 2.742 4.680 1.00 0.00 ? 29 GLN A N 34 ATOM 47293 C CA . GLN A 1 29 ? 10.958 3.091 5.730 1.00 0.00 ? 29 GLN A CA 34 ATOM 47294 C C . GLN A 1 29 ? 12.250 2.295 5.574 1.00 0.00 ? 29 GLN A C 34 ATOM 47295 O O . GLN A 1 29 ? 13.344 2.826 5.766 1.00 0.00 ? 29 GLN A O 34 ATOM 47296 C CB . GLN A 1 29 ? 10.345 2.831 7.108 1.00 0.00 ? 29 GLN A CB 34 ATOM 47297 C CG . GLN A 1 29 ? 11.313 3.059 8.256 1.00 0.00 ? 29 GLN A CG 34 ATOM 47298 C CD . GLN A 1 29 ? 11.312 1.918 9.256 1.00 0.00 ? 29 GLN A CD 34 ATOM 47299 O OE1 . GLN A 1 29 ? 12.115 0.991 9.159 1.00 0.00 ? 29 GLN A OE1 34 ATOM 47300 N NE2 . GLN A 1 29 ? 10.405 1.982 10.225 1.00 0.00 ? 29 GLN A NE2 34 ATOM 47301 H H . GLN A 1 29 ? 9.226 2.198 4.903 1.00 0.00 ? 29 GLN A H 34 ATOM 47302 H HA . GLN A 1 29 ? 11.184 4.142 5.637 1.00 0.00 ? 29 GLN A HA 34 ATOM 47303 H HB2 . GLN A 1 29 ? 9.499 3.488 7.242 1.00 0.00 ? 29 GLN A HB2 34 ATOM 47304 H HB3 . GLN A 1 29 ? 10.005 1.807 7.150 1.00 0.00 ? 29 GLN A HB3 34 ATOM 47305 H HG2 . GLN A 1 29 ? 12.311 3.162 7.855 1.00 0.00 ? 29 GLN A HG2 34 ATOM 47306 H HG3 . GLN A 1 29 ? 11.036 3.969 8.769 1.00 0.00 ? 29 GLN A HG3 34 ATOM 47307 H HE21 . GLN A 1 29 ? 9.797 2.750 10.239 1.00 0.00 ? 29 GLN A HE21 34 ATOM 47308 H HE22 . GLN A 1 29 ? 10.381 1.258 10.884 1.00 0.00 ? 29 GLN A HE22 34 ATOM 47309 N N . SER A 1 30 ? 12.115 1.018 5.227 1.00 0.00 ? 30 SER A N 34 ATOM 47310 C CA . SER A 1 30 ? 13.276 0.151 5.047 1.00 0.00 ? 30 SER A CA 34 ATOM 47311 C C . SER A 1 30 ? 14.062 0.530 3.792 1.00 0.00 ? 30 SER A C 34 ATOM 47312 O O . SER A 1 30 ? 15.293 0.536 3.799 1.00 0.00 ? 30 SER A O 34 ATOM 47313 C CB . SER A 1 30 ? 12.835 -1.312 4.962 1.00 0.00 ? 30 SER A CB 34 ATOM 47314 O OG . SER A 1 30 ? 12.048 -1.542 3.805 1.00 0.00 ? 30 SER A OG 34 ATOM 47315 H H . SER A 1 30 ? 11.214 0.650 5.091 1.00 0.00 ? 30 SER A H 34 ATOM 47316 H HA . SER A 1 30 ? 13.916 0.274 5.907 1.00 0.00 ? 30 SER A HA 34 ATOM 47317 H HB2 . SER A 1 30 ? 13.707 -1.947 4.920 1.00 0.00 ? 30 SER A HB2 34 ATOM 47318 H HB3 . SER A 1 30 ? 12.250 -1.560 5.836 1.00 0.00 ? 30 SER A HB3 34 ATOM 47319 H HG . SER A 1 30 ? 12.192 -2.437 3.493 1.00 0.00 ? 30 SER A HG 34 ATOM 47320 N N . ILE A 1 31 ? 13.344 0.845 2.719 1.00 0.00 ? 31 ILE A N 34 ATOM 47321 C CA . ILE A 1 31 ? 13.972 1.224 1.458 1.00 0.00 ? 31 ILE A CA 34 ATOM 47322 C C . ILE A 1 31 ? 14.535 2.639 1.534 1.00 0.00 ? 31 ILE A C 34 ATOM 47323 O O . ILE A 1 31 ? 15.470 2.986 0.812 1.00 0.00 ? 31 ILE A O 34 ATOM 47324 C CB . ILE A 1 31 ? 12.964 1.140 0.298 1.00 0.00 ? 31 ILE A CB 34 ATOM 47325 C CG1 . ILE A 1 31 ? 13.607 1.541 -1.031 1.00 0.00 ? 31 ILE A CG1 34 ATOM 47326 C CG2 . ILE A 1 31 ? 11.775 2.037 0.585 1.00 0.00 ? 31 ILE A CG2 34 ATOM 47327 C CD1 . ILE A 1 31 ? 14.553 0.503 -1.587 1.00 0.00 ? 31 ILE A CD1 34 ATOM 47328 H H . ILE A 1 31 ? 12.364 0.823 2.775 1.00 0.00 ? 31 ILE A H 34 ATOM 47329 H HA . ILE A 1 31 ? 14.778 0.533 1.262 1.00 0.00 ? 31 ILE A HA 34 ATOM 47330 H HB . ILE A 1 31 ? 12.615 0.117 0.229 1.00 0.00 ? 31 ILE A HB 34 ATOM 47331 H HG12 . ILE A 1 31 ? 12.826 1.695 -1.763 1.00 0.00 ? 31 ILE A HG12 34 ATOM 47332 H HG13 . ILE A 1 31 ? 14.158 2.459 -0.897 1.00 0.00 ? 31 ILE A HG13 34 ATOM 47333 H HG21 . ILE A 1 31 ? 11.758 2.286 1.635 1.00 0.00 ? 31 ILE A HG21 34 ATOM 47334 H HG22 . ILE A 1 31 ? 11.856 2.940 0.002 1.00 0.00 ? 31 ILE A HG22 34 ATOM 47335 H HG23 . ILE A 1 31 ? 10.868 1.523 0.325 1.00 0.00 ? 31 ILE A HG23 34 ATOM 47336 H HD11 . ILE A 1 31 ? 15.131 0.074 -0.782 1.00 0.00 ? 31 ILE A HD11 34 ATOM 47337 H HD12 . ILE A 1 31 ? 13.983 -0.275 -2.076 1.00 0.00 ? 31 ILE A HD12 34 ATOM 47338 H HD13 . ILE A 1 31 ? 15.216 0.967 -2.302 1.00 0.00 ? 31 ILE A HD13 34 ATOM 47339 N N . LYS A 1 32 ? 13.961 3.450 2.418 1.00 0.00 ? 32 LYS A N 34 ATOM 47340 C CA . LYS A 1 32 ? 14.409 4.826 2.594 1.00 0.00 ? 32 LYS A CA 34 ATOM 47341 C C . LYS A 1 32 ? 15.667 4.876 3.452 1.00 0.00 ? 32 LYS A C 34 ATOM 47342 O O . LYS A 1 32 ? 16.519 5.746 3.273 1.00 0.00 ? 32 LYS A O 34 ATOM 47343 C CB . LYS A 1 32 ? 13.303 5.666 3.236 1.00 0.00 ? 32 LYS A CB 34 ATOM 47344 C CG . LYS A 1 32 ? 13.717 7.101 3.523 1.00 0.00 ? 32 LYS A CG 34 ATOM 47345 C CD . LYS A 1 32 ? 12.508 8.005 3.698 1.00 0.00 ? 32 LYS A CD 34 ATOM 47346 C CE . LYS A 1 32 ? 11.961 7.934 5.114 1.00 0.00 ? 32 LYS A CE 34 ATOM 47347 N NZ . LYS A 1 32 ? 11.207 9.165 5.482 1.00 0.00 ? 32 LYS A NZ 34 ATOM 47348 H H . LYS A 1 32 ? 13.223 3.114 2.967 1.00 0.00 ? 32 LYS A H 34 ATOM 47349 H HA . LYS A 1 32 ? 14.636 5.228 1.618 1.00 0.00 ? 32 LYS A HA 34 ATOM 47350 H HB2 . LYS A 1 32 ? 12.450 5.685 2.574 1.00 0.00 ? 32 LYS A HB2 34 ATOM 47351 H HB3 . LYS A 1 32 ? 13.013 5.205 4.169 1.00 0.00 ? 32 LYS A HB3 34 ATOM 47352 H HG2 . LYS A 1 32 ? 14.304 7.122 4.428 1.00 0.00 ? 32 LYS A HG2 34 ATOM 47353 H HG3 . LYS A 1 32 ? 14.311 7.464 2.697 1.00 0.00 ? 32 LYS A HG3 34 ATOM 47354 H HD2 . LYS A 1 32 ? 12.798 9.022 3.486 1.00 0.00 ? 32 LYS A HD2 34 ATOM 47355 H HD3 . LYS A 1 32 ? 11.737 7.696 3.008 1.00 0.00 ? 32 LYS A HD3 34 ATOM 47356 H HE2 . LYS A 1 32 ? 11.301 7.083 5.190 1.00 0.00 ? 32 LYS A HE2 34 ATOM 47357 H HE3 . LYS A 1 32 ? 12.787 7.809 5.800 1.00 0.00 ? 32 LYS A HE3 34 ATOM 47358 H HZ1 . LYS A 1 32 ? 11.123 9.791 4.656 1.00 0.00 ? 32 LYS A HZ1 34 ATOM 47359 H HZ2 . LYS A 1 32 ? 10.254 8.915 5.812 1.00 0.00 ? 32 LYS A HZ2 34 ATOM 47360 H HZ3 . LYS A 1 32 ? 11.704 9.675 6.240 1.00 0.00 ? 32 LYS A HZ3 34 ATOM 47361 N N . LYS A 1 33 ? 15.780 3.934 4.383 1.00 0.00 ? 33 LYS A N 34 ATOM 47362 C CA . LYS A 1 33 ? 16.937 3.867 5.266 1.00 0.00 ? 33 LYS A CA 34 ATOM 47363 C C . LYS A 1 33 ? 18.152 3.326 4.520 1.00 0.00 ? 33 LYS A C 34 ATOM 47364 O O . LYS A 1 33 ? 19.280 3.761 4.750 1.00 0.00 ? 33 LYS A O 34 ATOM 47365 C CB . LYS A 1 33 ? 16.633 2.985 6.477 1.00 0.00 ? 33 LYS A CB 34 ATOM 47366 C CG . LYS A 1 33 ? 16.009 3.741 7.639 1.00 0.00 ? 33 LYS A CG 34 ATOM 47367 C CD . LYS A 1 33 ? 16.335 3.086 8.971 1.00 0.00 ? 33 LYS A CD 34 ATOM 47368 C CE . LYS A 1 33 ? 16.054 4.022 10.135 1.00 0.00 ? 33 LYS A CE 34 ATOM 47369 N NZ . LYS A 1 33 ? 17.086 3.904 11.203 1.00 0.00 ? 33 LYS A NZ 34 ATOM 47370 H H . LYS A 1 33 ? 15.069 3.265 4.475 1.00 0.00 ? 33 LYS A H 34 ATOM 47371 H HA . LYS A 1 33 ? 17.154 4.869 5.604 1.00 0.00 ? 33 LYS A HA 34 ATOM 47372 H HB2 . LYS A 1 33 ? 15.950 2.203 6.178 1.00 0.00 ? 33 LYS A HB2 34 ATOM 47373 H HB3 . LYS A 1 33 ? 17.553 2.535 6.822 1.00 0.00 ? 33 LYS A HB3 34 ATOM 47374 H HG2 . LYS A 1 33 ? 16.390 4.752 7.644 1.00 0.00 ? 33 LYS A HG2 34 ATOM 47375 H HG3 . LYS A 1 33 ? 14.936 3.759 7.509 1.00 0.00 ? 33 LYS A HG3 34 ATOM 47376 H HD2 . LYS A 1 33 ? 15.730 2.199 9.082 1.00 0.00 ? 33 LYS A HD2 34 ATOM 47377 H HD3 . LYS A 1 33 ? 17.381 2.816 8.981 1.00 0.00 ? 33 LYS A HD3 34 ATOM 47378 H HE2 . LYS A 1 33 ? 16.042 5.037 9.771 1.00 0.00 ? 33 LYS A HE2 34 ATOM 47379 H HE3 . LYS A 1 33 ? 15.088 3.778 10.552 1.00 0.00 ? 33 LYS A HE3 34 ATOM 47380 H HZ1 . LYS A 1 33 ? 17.163 2.918 11.520 1.00 0.00 ? 33 LYS A HZ1 34 ATOM 47381 H HZ2 . LYS A 1 33 ? 18.011 4.214 10.841 1.00 0.00 ? 33 LYS A HZ2 34 ATOM 47382 H HZ3 . LYS A 1 33 ? 16.828 4.498 12.016 1.00 0.00 ? 33 LYS A HZ3 34 ATOM 47383 N N . LEU A 1 34 ? 17.911 2.375 3.622 1.00 0.00 ? 34 LEU A N 34 ATOM 47384 C CA . LEU A 1 34 ? 18.983 1.776 2.837 1.00 0.00 ? 34 LEU A CA 34 ATOM 47385 C C . LEU A 1 34 ? 19.482 2.746 1.772 1.00 0.00 ? 34 LEU A C 34 ATOM 47386 O O . LEU A 1 34 ? 20.679 2.816 1.492 1.00 0.00 ? 34 LEU A O 34 ATOM 47387 C CB . LEU A 1 34 ? 18.501 0.482 2.179 1.00 0.00 ? 34 LEU A CB 34 ATOM 47388 C CG . LEU A 1 34 ? 18.968 -0.805 2.862 1.00 0.00 ? 34 LEU A CG 34 ATOM 47389 C CD1 . LEU A 1 34 ? 18.013 -1.948 2.554 1.00 0.00 ? 34 LEU A CD1 34 ATOM 47390 C CD2 . LEU A 1 34 ? 20.382 -1.156 2.426 1.00 0.00 ? 34 LEU A CD2 34 ATOM 47391 H H . LEU A 1 34 ? 16.990 2.073 3.482 1.00 0.00 ? 34 LEU A H 34 ATOM 47392 H HA . LEU A 1 34 ? 19.797 1.547 3.509 1.00 0.00 ? 34 LEU A HA 34 ATOM 47393 H HB2 . LEU A 1 34 ? 17.421 0.489 2.170 1.00 0.00 ? 34 LEU A HB2 34 ATOM 47394 H HB3 . LEU A 1 34 ? 18.852 0.468 1.159 1.00 0.00 ? 34 LEU A HB3 34 ATOM 47395 H HG . LEU A 1 34 ? 18.974 -0.655 3.933 1.00 0.00 ? 34 LEU A HG 34 ATOM 47396 H HD11 . LEU A 1 34 ? 17.841 -1.996 1.489 1.00 0.00 ? 34 LEU A HD11 34 ATOM 47397 H HD12 . LEU A 1 34 ? 18.446 -2.879 2.891 1.00 0.00 ? 34 LEU A HD12 34 ATOM 47398 H HD13 . LEU A 1 34 ? 17.076 -1.782 3.063 1.00 0.00 ? 34 LEU A HD13 34 ATOM 47399 H HD21 . LEU A 1 34 ? 20.756 -0.386 1.767 1.00 0.00 ? 34 LEU A HD21 34 ATOM 47400 H HD22 . LEU A 1 34 ? 21.019 -1.228 3.295 1.00 0.00 ? 34 LEU A HD22 34 ATOM 47401 H HD23 . LEU A 1 34 ? 20.374 -2.102 1.905 1.00 0.00 ? 34 LEU A HD23 34 ATOM 47402 N N . LYS A 1 35 ? 18.557 3.495 1.180 1.00 0.00 ? 35 LYS A N 34 ATOM 47403 C CA . LYS A 1 35 ? 18.903 4.463 0.147 1.00 0.00 ? 35 LYS A CA 34 ATOM 47404 C C . LYS A 1 35 ? 19.575 5.688 0.756 1.00 0.00 ? 35 LYS A C 34 ATOM 47405 O O . LYS A 1 35 ? 20.417 6.326 0.124 1.00 0.00 ? 35 LYS A O 34 ATOM 47406 C CB . LYS A 1 35 ? 17.653 4.884 -0.629 1.00 0.00 ? 35 LYS A CB 34 ATOM 47407 C CG . LYS A 1 35 ? 17.953 5.734 -1.852 1.00 0.00 ? 35 LYS A CG 34 ATOM 47408 C CD . LYS A 1 35 ? 16.988 6.903 -1.968 1.00 0.00 ? 35 LYS A CD 34 ATOM 47409 C CE . LYS A 1 35 ? 15.567 6.429 -2.222 1.00 0.00 ? 35 LYS A CE 34 ATOM 47410 N NZ . LYS A 1 35 ? 15.344 6.082 -3.652 1.00 0.00 ? 35 LYS A NZ 34 ATOM 47411 H H . LYS A 1 35 ? 17.619 3.395 1.446 1.00 0.00 ? 35 LYS A H 34 ATOM 47412 H HA . LYS A 1 35 ? 19.595 3.989 -0.533 1.00 0.00 ? 35 LYS A HA 34 ATOM 47413 H HB2 . LYS A 1 35 ? 17.129 3.997 -0.953 1.00 0.00 ? 35 LYS A HB2 34 ATOM 47414 H HB3 . LYS A 1 35 ? 17.010 5.451 0.029 1.00 0.00 ? 35 LYS A HB3 34 ATOM 47415 H HG2 . LYS A 1 35 ? 18.959 6.118 -1.774 1.00 0.00 ? 35 LYS A HG2 34 ATOM 47416 H HG3 . LYS A 1 35 ? 17.867 5.119 -2.736 1.00 0.00 ? 35 LYS A HG3 34 ATOM 47417 H HD2 . LYS A 1 35 ? 17.010 7.467 -1.048 1.00 0.00 ? 35 LYS A HD2 34 ATOM 47418 H HD3 . LYS A 1 35 ? 17.300 7.535 -2.787 1.00 0.00 ? 35 LYS A HD3 34 ATOM 47419 H HE2 . LYS A 1 35 ? 15.378 5.556 -1.614 1.00 0.00 ? 35 LYS A HE2 34 ATOM 47420 H HE3 . LYS A 1 35 ? 14.882 7.216 -1.939 1.00 0.00 ? 35 LYS A HE3 34 ATOM 47421 H HZ1 . LYS A 1 35 ? 16.220 5.712 -4.071 1.00 0.00 ? 35 LYS A HZ1 34 ATOM 47422 H HZ2 . LYS A 1 35 ? 14.602 5.357 -3.732 1.00 0.00 ? 35 LYS A HZ2 34 ATOM 47423 H HZ3 . LYS A 1 35 ? 15.049 6.926 -4.183 1.00 0.00 ? 35 LYS A HZ3 34 ATOM 47424 N N . GLN A 1 36 ? 19.198 6.010 1.989 1.00 0.00 ? 36 GLN A N 34 ATOM 47425 C CA . GLN A 1 36 ? 19.766 7.157 2.686 1.00 0.00 ? 36 GLN A CA 34 ATOM 47426 C C . GLN A 1 36 ? 21.184 6.856 3.157 1.00 0.00 ? 36 GLN A C 34 ATOM 47427 O O . GLN A 1 36 ? 22.027 7.750 3.232 1.00 0.00 ? 36 GLN A O 34 ATOM 47428 C CB . GLN A 1 36 ? 18.890 7.540 3.880 1.00 0.00 ? 36 GLN A CB 34 ATOM 47429 C CG . GLN A 1 36 ? 19.428 8.717 4.678 1.00 0.00 ? 36 GLN A CG 34 ATOM 47430 C CD . GLN A 1 36 ? 18.938 8.721 6.112 1.00 0.00 ? 36 GLN A CD 34 ATOM 47431 O OE1 . GLN A 1 36 ? 18.746 7.668 6.718 1.00 0.00 ? 36 GLN A OE1 34 ATOM 47432 N NE2 . GLN A 1 36 ? 18.734 9.912 6.664 1.00 0.00 ? 36 GLN A NE2 34 ATOM 47433 H H . GLN A 1 36 ? 18.524 5.461 2.441 1.00 0.00 ? 36 GLN A H 34 ATOM 47434 H HA . GLN A 1 36 ? 19.796 7.985 1.993 1.00 0.00 ? 36 GLN A HA 34 ATOM 47435 H HB2 . GLN A 1 36 ? 17.903 7.796 3.521 1.00 0.00 ? 36 GLN A HB2 34 ATOM 47436 H HB3 . GLN A 1 36 ? 18.812 6.691 4.542 1.00 0.00 ? 36 GLN A HB3 34 ATOM 47437 H HG2 . GLN A 1 36 ? 20.506 8.670 4.682 1.00 0.00 ? 36 GLN A HG2 34 ATOM 47438 H HG3 . GLN A 1 36 ? 19.109 9.633 4.202 1.00 0.00 ? 36 GLN A HG3 34 ATOM 47439 H HE21 . GLN A 1 36 ? 18.909 10.709 6.123 1.00 0.00 ? 36 GLN A HE21 34 ATOM 47440 H HE22 . GLN A 1 36 ? 18.419 9.944 7.592 1.00 0.00 ? 36 GLN A HE22 34 ATOM 47441 N N . SER A 1 37 ? 21.441 5.591 3.471 1.00 0.00 ? 37 SER A N 34 ATOM 47442 C CA . SER A 1 37 ? 22.758 5.170 3.933 1.00 0.00 ? 37 SER A CA 34 ATOM 47443 C C . SER A 1 37 ? 23.774 5.228 2.796 1.00 0.00 ? 37 SER A C 34 ATOM 47444 O O . SER A 1 37 ? 24.970 5.406 3.028 1.00 0.00 ? 37 SER A O 34 ATOM 47445 C CB . SER A 1 37 ? 22.695 3.753 4.503 1.00 0.00 ? 37 SER A CB 34 ATOM 47446 O OG . SER A 1 37 ? 23.365 3.673 5.750 1.00 0.00 ? 37 SER A OG 34 ATOM 47447 H H . SER A 1 37 ? 20.728 4.924 3.390 1.00 0.00 ? 37 SER A H 34 ATOM 47448 H HA . SER A 1 37 ? 23.069 5.849 4.713 1.00 0.00 ? 37 SER A HA 34 ATOM 47449 H HB2 . SER A 1 37 ? 21.662 3.471 4.646 1.00 0.00 ? 37 SER A HB2 34 ATOM 47450 H HB3 . SER A 1 37 ? 23.163 3.067 3.811 1.00 0.00 ? 37 SER A HB3 34 ATOM 47451 H HG . SER A 1 37 ? 23.590 2.758 5.934 1.00 0.00 ? 37 SER A HG 34 ATOM 47452 N N . GLU A 1 38 ? 23.289 5.078 1.568 1.00 0.00 ? 38 GLU A N 34 ATOM 47453 C CA . GLU A 1 38 ? 24.153 5.115 0.395 1.00 0.00 ? 38 GLU A CA 34 ATOM 47454 C C . GLU A 1 38 ? 24.722 6.514 0.183 1.00 0.00 ? 38 GLU A C 34 ATOM 47455 O O . GLU A 1 38 ? 25.825 6.674 -0.339 1.00 0.00 ? 38 GLU A O 34 ATOM 47456 C CB . GLU A 1 38 ? 23.380 4.673 -0.848 1.00 0.00 ? 38 GLU A CB 34 ATOM 47457 C CG . GLU A 1 38 ? 24.172 4.810 -2.138 1.00 0.00 ? 38 GLU A CG 34 ATOM 47458 C CD . GLU A 1 38 ? 23.293 4.733 -3.372 1.00 0.00 ? 38 GLU A CD 34 ATOM 47459 O OE1 . GLU A 1 38 ? 22.332 3.935 -3.368 1.00 0.00 ? 38 GLU A OE1 34 ATOM 47460 O OE2 . GLU A 1 38 ? 23.567 5.471 -4.343 1.00 0.00 ? 38 GLU A OE2 34 ATOM 47461 H H . GLU A 1 38 ? 22.325 4.941 1.449 1.00 0.00 ? 38 GLU A H 34 ATOM 47462 H HA . GLU A 1 38 ? 24.969 4.429 0.563 1.00 0.00 ? 38 GLU A HA 34 ATOM 47463 H HB2 . GLU A 1 38 ? 23.098 3.636 -0.733 1.00 0.00 ? 38 GLU A HB2 34 ATOM 47464 H HB3 . GLU A 1 38 ? 22.485 5.272 -0.934 1.00 0.00 ? 38 GLU A HB3 34 ATOM 47465 H HG2 . GLU A 1 38 ? 24.678 5.765 -2.136 1.00 0.00 ? 38 GLU A HG2 34 ATOM 47466 H HG3 . GLU A 1 38 ? 24.902 4.016 -2.184 1.00 0.00 ? 38 GLU A HG3 34 ATOM 47467 N N . ASP A 1 39 ? 23.962 7.524 0.592 1.00 0.00 ? 39 ASP A N 34 ATOM 47468 C CA . ASP A 1 39 ? 24.390 8.911 0.448 1.00 0.00 ? 39 ASP A CA 34 ATOM 47469 C C . ASP A 1 39 ? 25.321 9.313 1.587 1.00 0.00 ? 39 ASP A C 34 ATOM 47470 O O . ASP A 1 39 ? 26.143 10.217 1.440 1.00 0.00 ? 39 ASP A O 34 ATOM 47471 C CB . ASP A 1 39 ? 23.176 9.840 0.415 1.00 0.00 ? 39 ASP A CB 34 ATOM 47472 C CG . ASP A 1 39 ? 22.860 10.327 -0.986 1.00 0.00 ? 39 ASP A CG 34 ATOM 47473 O OD1 . ASP A 1 39 ? 23.552 9.901 -1.934 1.00 0.00 ? 39 ASP A OD1 34 ATOM 47474 O OD2 . ASP A 1 39 ? 21.919 11.136 -1.135 1.00 0.00 ? 39 ASP A OD2 34 ATOM 47475 H H . ASP A 1 39 ? 23.092 7.333 1.002 1.00 0.00 ? 39 ASP A H 34 ATOM 47476 H HA . ASP A 1 39 ? 24.925 8.997 -0.485 1.00 0.00 ? 39 ASP A HA 34 ATOM 47477 H HB2 . ASP A 1 39 ? 22.314 9.312 0.794 1.00 0.00 ? 39 ASP A HB2 34 ATOM 47478 H HB3 . ASP A 1 39 ? 23.371 10.700 1.040 1.00 0.00 ? 39 ASP A HB3 34 ATOM 47479 N N . ASP A 1 40 ? 25.187 8.635 2.722 1.00 0.00 ? 40 ASP A N 34 ATOM 47480 C CA . ASP A 1 40 ? 26.017 8.923 3.887 1.00 0.00 ? 40 ASP A CA 34 ATOM 47481 C C . ASP A 1 40 ? 25.650 10.271 4.498 1.00 0.00 ? 40 ASP A C 34 ATOM 47482 O O . ASP A 1 40 ? 25.470 11.259 3.785 1.00 0.00 ? 40 ASP A O 34 ATOM 47483 C CB . ASP A 1 40 ? 27.497 8.910 3.500 1.00 0.00 ? 40 ASP A CB 34 ATOM 47484 C CG . ASP A 1 40 ? 28.295 7.899 4.299 1.00 0.00 ? 40 ASP A CG 34 ATOM 47485 O OD1 . ASP A 1 40 ? 28.363 6.727 3.873 1.00 0.00 ? 40 ASP A OD1 34 ATOM 47486 O OD2 . ASP A 1 40 ? 28.852 8.279 5.350 1.00 0.00 ? 40 ASP A OD2 34 ATOM 47487 H H . ASP A 1 40 ? 24.514 7.925 2.779 1.00 0.00 ? 40 ASP A H 34 ATOM 47488 H HA . ASP A 1 40 ? 25.839 8.149 4.619 1.00 0.00 ? 40 ASP A HA 34 ATOM 47489 H HB2 . ASP A 1 40 ? 27.587 8.665 2.452 1.00 0.00 ? 40 ASP A HB2 34 ATOM 47490 H HB3 . ASP A 1 40 ? 27.916 9.891 3.674 1.00 0.00 ? 40 ASP A HB3 34 ATOM 47491 N N . ASP A 1 41 ? 25.541 10.305 5.822 1.00 0.00 ? 41 ASP A N 34 ATOM 47492 C CA . ASP A 1 41 ? 25.196 11.533 6.530 1.00 0.00 ? 41 ASP A CA 34 ATOM 47493 C C . ASP A 1 41 ? 25.974 11.644 7.836 1.00 0.00 ? 41 ASP A C 34 ATOM 47494 O O . ASP A 1 41 ? 26.126 12.778 8.339 1.00 0.00 ? 41 ASP A O 34 ATOM 47495 C CB . ASP A 1 41 ? 23.693 11.579 6.811 1.00 0.00 ? 41 ASP A CB 34 ATOM 47496 C CG . ASP A 1 41 ? 22.870 11.687 5.543 1.00 0.00 ? 41 ASP A CG 34 ATOM 47497 O OD1 . ASP A 1 41 ? 22.718 10.662 4.844 1.00 0.00 ? 41 ASP A OD1 34 ATOM 47498 O OD2 . ASP A 1 41 ? 22.379 12.796 5.247 1.00 0.00 ? 41 ASP A OD2 34 ATOM 47499 O OXT . ASP A 1 41 ? 26.424 10.597 8.347 1.00 0.00 ? 41 ASP A OXT 34 ATOM 47500 H H . ASP A 1 41 ? 25.697 9.485 6.336 1.00 0.00 ? 41 ASP A H 34 ATOM 47501 H HA . ASP A 1 41 ? 25.460 12.366 5.895 1.00 0.00 ? 41 ASP A HA 34 ATOM 47502 H HB2 . ASP A 1 41 ? 23.403 10.677 7.330 1.00 0.00 ? 41 ASP A HB2 34 ATOM 47503 H HB3 . ASP A 1 41 ? 23.476 12.434 7.434 1.00 0.00 ? 41 ASP A HB3 34 ATOM 47504 N N . ALA B 1 1 ? 32.134 7.135 -3.222 1.00 0.00 ? 1 ALA B N 34 ATOM 47505 C CA . ALA B 1 1 ? 30.807 6.471 -3.144 1.00 0.00 ? 1 ALA B CA 34 ATOM 47506 C C . ALA B 1 1 ? 30.858 5.071 -3.745 1.00 0.00 ? 1 ALA B C 34 ATOM 47507 O O . ALA B 1 1 ? 30.798 4.905 -4.963 1.00 0.00 ? 1 ALA B O 34 ATOM 47508 C CB . ALA B 1 1 ? 29.756 7.311 -3.854 1.00 0.00 ? 1 ALA B CB 34 ATOM 47509 H H1 . ALA B 1 1 ? 32.850 6.447 -2.916 1.00 0.00 ? 1 ALA B H1 34 ATOM 47510 H H2 . ALA B 1 1 ? 32.286 7.423 -4.210 1.00 0.00 ? 1 ALA B H2 34 ATOM 47511 H H3 . ALA B 1 1 ? 32.114 7.959 -2.589 1.00 0.00 ? 1 ALA B H3 34 ATOM 47512 H HA . ALA B 1 1 ? 30.526 6.394 -2.103 1.00 0.00 ? 1 ALA B HA 34 ATOM 47513 H HB1 . ALA B 1 1 ? 28.779 6.879 -3.692 1.00 0.00 ? 1 ALA B HB1 34 ATOM 47514 H HB2 . ALA B 1 1 ? 29.773 8.317 -3.462 1.00 0.00 ? 1 ALA B HB2 34 ATOM 47515 H HB3 . ALA B 1 1 ? 29.968 7.334 -4.913 1.00 0.00 ? 1 ALA B HB3 34 ATOM 47516 N N . LEU B 1 2 ? 30.971 4.067 -2.882 1.00 0.00 ? 2 LEU B N 34 ATOM 47517 C CA . LEU B 1 2 ? 31.029 2.679 -3.328 1.00 0.00 ? 2 LEU B CA 34 ATOM 47518 C C . LEU B 1 2 ? 30.105 1.799 -2.493 1.00 0.00 ? 2 LEU B C 34 ATOM 47519 O O . LEU B 1 2 ? 30.519 1.228 -1.485 1.00 0.00 ? 2 LEU B O 34 ATOM 47520 C CB . LEU B 1 2 ? 32.464 2.156 -3.243 1.00 0.00 ? 2 LEU B CB 34 ATOM 47521 C CG . LEU B 1 2 ? 33.538 3.123 -3.745 1.00 0.00 ? 2 LEU B CG 34 ATOM 47522 C CD1 . LEU B 1 2 ? 34.750 3.098 -2.827 1.00 0.00 ? 2 LEU B CD1 34 ATOM 47523 C CD2 . LEU B 1 2 ? 33.940 2.778 -5.172 1.00 0.00 ? 2 LEU B CD2 34 ATOM 47524 H H . LEU B 1 2 ? 31.013 4.263 -1.923 1.00 0.00 ? 2 LEU B H 34 ATOM 47525 H HA . LEU B 1 2 ? 30.705 2.648 -4.357 1.00 0.00 ? 2 LEU B HA 34 ATOM 47526 H HB2 . LEU B 1 2 ? 32.678 1.917 -2.211 1.00 0.00 ? 2 LEU B HB2 34 ATOM 47527 H HB3 . LEU B 1 2 ? 32.530 1.248 -3.826 1.00 0.00 ? 2 LEU B HB3 34 ATOM 47528 H HG . LEU B 1 2 ? 33.138 4.127 -3.742 1.00 0.00 ? 2 LEU B HG 34 ATOM 47529 H HD11 . LEU B 1 2 ? 34.423 3.094 -1.798 1.00 0.00 ? 2 LEU B HD11 34 ATOM 47530 H HD12 . LEU B 1 2 ? 35.331 2.209 -3.023 1.00 0.00 ? 2 LEU B HD12 34 ATOM 47531 H HD13 . LEU B 1 2 ? 35.357 3.972 -3.009 1.00 0.00 ? 2 LEU B HD13 34 ATOM 47532 H HD21 . LEU B 1 2 ? 33.486 1.841 -5.456 1.00 0.00 ? 2 LEU B HD21 34 ATOM 47533 H HD22 . LEU B 1 2 ? 33.602 3.558 -5.838 1.00 0.00 ? 2 LEU B HD22 34 ATOM 47534 H HD23 . LEU B 1 2 ? 35.014 2.693 -5.232 1.00 0.00 ? 2 LEU B HD23 34 ATOM 47535 N N . LYS B 1 3 ? 28.851 1.696 -2.920 1.00 0.00 ? 3 LYS B N 34 ATOM 47536 C CA . LYS B 1 3 ? 27.867 0.885 -2.213 1.00 0.00 ? 3 LYS B CA 34 ATOM 47537 C C . LYS B 1 3 ? 27.628 -0.436 -2.936 1.00 0.00 ? 3 LYS B C 34 ATOM 47538 O O . LYS B 1 3 ? 28.161 -1.473 -2.544 1.00 0.00 ? 3 LYS B O 34 ATOM 47539 C CB . LYS B 1 3 ? 26.549 1.650 -2.075 1.00 0.00 ? 3 LYS B CB 34 ATOM 47540 C CG . LYS B 1 3 ? 26.229 2.059 -0.646 1.00 0.00 ? 3 LYS B CG 34 ATOM 47541 C CD . LYS B 1 3 ? 27.297 2.978 -0.077 1.00 0.00 ? 3 LYS B CD 34 ATOM 47542 C CE . LYS B 1 3 ? 28.214 2.240 0.884 1.00 0.00 ? 3 LYS B CE 34 ATOM 47543 N NZ . LYS B 1 3 ? 28.669 3.114 2.000 1.00 0.00 ? 3 LYS B NZ 34 ATOM 47544 H H . LYS B 1 3 ? 28.581 2.175 -3.731 1.00 0.00 ? 3 LYS B H 34 ATOM 47545 H HA . LYS B 1 3 ? 28.256 0.677 -1.228 1.00 0.00 ? 3 LYS B HA 34 ATOM 47546 H HB2 . LYS B 1 3 ? 26.600 2.544 -2.679 1.00 0.00 ? 3 LYS B HB2 34 ATOM 47547 H HB3 . LYS B 1 3 ? 25.745 1.027 -2.437 1.00 0.00 ? 3 LYS B HB3 34 ATOM 47548 H HG2 . LYS B 1 3 ? 25.281 2.574 -0.634 1.00 0.00 ? 3 LYS B HG2 34 ATOM 47549 H HG3 . LYS B 1 3 ? 26.167 1.171 -0.034 1.00 0.00 ? 3 LYS B HG3 34 ATOM 47550 H HD2 . LYS B 1 3 ? 27.888 3.373 -0.890 1.00 0.00 ? 3 LYS B HD2 34 ATOM 47551 H HD3 . LYS B 1 3 ? 26.816 3.790 0.449 1.00 0.00 ? 3 LYS B HD3 34 ATOM 47552 H HE2 . LYS B 1 3 ? 27.680 1.395 1.295 1.00 0.00 ? 3 LYS B HE2 34 ATOM 47553 H HE3 . LYS B 1 3 ? 29.078 1.887 0.338 1.00 0.00 ? 3 LYS B HE3 34 ATOM 47554 H HZ1 . LYS B 1 3 ? 27.936 3.816 2.225 1.00 0.00 ? 3 LYS B HZ1 34 ATOM 47555 H HZ2 . LYS B 1 3 ? 28.857 2.541 2.848 1.00 0.00 ? 3 LYS B HZ2 34 ATOM 47556 H HZ3 . LYS B 1 3 ? 29.541 3.612 1.732 1.00 0.00 ? 3 LYS B HZ3 34 ATOM 47557 N N . LYS B 1 4 ? 26.824 -0.386 -3.996 1.00 0.00 ? 4 LYS B N 34 ATOM 47558 C CA . LYS B 1 4 ? 26.505 -1.574 -4.787 1.00 0.00 ? 4 LYS B CA 34 ATOM 47559 C C . LYS B 1 4 ? 25.482 -2.450 -4.071 1.00 0.00 ? 4 LYS B C 34 ATOM 47560 O O . LYS B 1 4 ? 24.296 -2.422 -4.395 1.00 0.00 ? 4 LYS B O 34 ATOM 47561 C CB . LYS B 1 4 ? 27.771 -2.383 -5.089 1.00 0.00 ? 4 LYS B CB 34 ATOM 47562 C CG . LYS B 1 4 ? 28.047 -2.547 -6.575 1.00 0.00 ? 4 LYS B CG 34 ATOM 47563 C CD . LYS B 1 4 ? 29.303 -1.799 -6.993 1.00 0.00 ? 4 LYS B CD 34 ATOM 47564 C CE . LYS B 1 4 ? 28.965 -0.506 -7.718 1.00 0.00 ? 4 LYS B CE 34 ATOM 47565 N NZ . LYS B 1 4 ? 30.175 0.131 -8.309 1.00 0.00 ? 4 LYS B NZ 34 ATOM 47566 H H . LYS B 1 4 ? 26.433 0.474 -4.255 1.00 0.00 ? 4 LYS B H 34 ATOM 47567 H HA . LYS B 1 4 ? 26.075 -1.240 -5.719 1.00 0.00 ? 4 LYS B HA 34 ATOM 47568 H HB2 . LYS B 1 4 ? 28.618 -1.886 -4.641 1.00 0.00 ? 4 LYS B HB2 34 ATOM 47569 H HB3 . LYS B 1 4 ? 27.670 -3.367 -4.655 1.00 0.00 ? 4 LYS B HB3 34 ATOM 47570 H HG2 . LYS B 1 4 ? 28.176 -3.596 -6.795 1.00 0.00 ? 4 LYS B HG2 34 ATOM 47571 H HG3 . LYS B 1 4 ? 27.206 -2.160 -7.132 1.00 0.00 ? 4 LYS B HG3 34 ATOM 47572 H HD2 . LYS B 1 4 ? 29.882 -1.565 -6.113 1.00 0.00 ? 4 LYS B HD2 34 ATOM 47573 H HD3 . LYS B 1 4 ? 29.883 -2.429 -7.651 1.00 0.00 ? 4 LYS B HD3 34 ATOM 47574 H HE2 . LYS B 1 4 ? 28.262 -0.723 -8.508 1.00 0.00 ? 4 LYS B HE2 34 ATOM 47575 H HE3 . LYS B 1 4 ? 28.515 0.179 -7.015 1.00 0.00 ? 4 LYS B HE3 34 ATOM 47576 H HZ1 . LYS B 1 4 ? 31.034 -0.281 -7.894 1.00 0.00 ? 4 LYS B HZ1 34 ATOM 47577 H HZ2 . LYS B 1 4 ? 30.192 -0.020 -9.338 1.00 0.00 ? 4 LYS B HZ2 34 ATOM 47578 H HZ3 . LYS B 1 4 ? 30.168 1.155 -8.121 1.00 0.00 ? 4 LYS B HZ3 34 ATOM 47579 N N . HIS B 1 5 ? 25.943 -3.229 -3.094 1.00 0.00 ? 5 HIS B N 34 ATOM 47580 C CA . HIS B 1 5 ? 25.058 -4.110 -2.335 1.00 0.00 ? 5 HIS B CA 34 ATOM 47581 C C . HIS B 1 5 ? 23.802 -3.365 -1.893 1.00 0.00 ? 5 HIS B C 34 ATOM 47582 O O . HIS B 1 5 ? 22.731 -3.957 -1.746 1.00 0.00 ? 5 HIS B O 34 ATOM 47583 C CB . HIS B 1 5 ? 25.788 -4.673 -1.114 1.00 0.00 ? 5 HIS B CB 34 ATOM 47584 C CG . HIS B 1 5 ? 26.051 -3.653 -0.048 1.00 0.00 ? 5 HIS B CG 34 ATOM 47585 N ND1 . HIS B 1 5 ? 25.944 -3.927 1.299 1.00 0.00 ? 5 HIS B ND1 34 ATOM 47586 C CD2 . HIS B 1 5 ? 26.418 -2.352 -0.138 1.00 0.00 ? 5 HIS B CD2 34 ATOM 47587 C CE1 . HIS B 1 5 ? 26.233 -2.840 1.992 1.00 0.00 ? 5 HIS B CE1 34 ATOM 47588 N NE2 . HIS B 1 5 ? 26.525 -1.872 1.143 1.00 0.00 ? 5 HIS B NE2 34 ATOM 47589 H H . HIS B 1 5 ? 26.898 -3.212 -2.878 1.00 0.00 ? 5 HIS B H 34 ATOM 47590 H HA . HIS B 1 5 ? 24.771 -4.927 -2.979 1.00 0.00 ? 5 HIS B HA 34 ATOM 47591 H HB2 . HIS B 1 5 ? 25.192 -5.460 -0.678 1.00 0.00 ? 5 HIS B HB2 34 ATOM 47592 H HB3 . HIS B 1 5 ? 26.738 -5.079 -1.427 1.00 0.00 ? 5 HIS B HB3 34 ATOM 47593 H HD1 . HIS B 1 5 ? 25.693 -4.790 1.690 1.00 0.00 ? 5 HIS B HD1 34 ATOM 47594 H HD2 . HIS B 1 5 ? 26.595 -1.798 -1.049 1.00 0.00 ? 5 HIS B HD2 34 ATOM 47595 H HE1 . HIS B 1 5 ? 26.233 -2.757 3.069 1.00 0.00 ? 5 HIS B HE1 34 ATOM 47596 H HE2 . HIS B 1 5 ? 26.776 -0.958 1.391 1.00 0.00 ? 5 HIS B HE2 34 ATOM 47597 N N . HIS B 1 6 ? 23.941 -2.058 -1.693 1.00 0.00 ? 6 HIS B N 34 ATOM 47598 C CA . HIS B 1 6 ? 22.820 -1.227 -1.279 1.00 0.00 ? 6 HIS B CA 34 ATOM 47599 C C . HIS B 1 6 ? 21.798 -1.112 -2.401 1.00 0.00 ? 6 HIS B C 34 ATOM 47600 O O . HIS B 1 6 ? 20.610 -1.322 -2.184 1.00 0.00 ? 6 HIS B O 34 ATOM 47601 C CB . HIS B 1 6 ? 23.307 0.163 -0.864 1.00 0.00 ? 6 HIS B CB 34 ATOM 47602 C CG . HIS B 1 6 ? 23.651 0.267 0.589 1.00 0.00 ? 6 HIS B CG 34 ATOM 47603 N ND1 . HIS B 1 6 ? 24.033 -0.817 1.352 1.00 0.00 ? 6 HIS B ND1 34 ATOM 47604 C CD2 . HIS B 1 6 ? 23.671 1.336 1.421 1.00 0.00 ? 6 HIS B CD2 34 ATOM 47605 C CE1 . HIS B 1 6 ? 24.272 -0.420 2.590 1.00 0.00 ? 6 HIS B CE1 34 ATOM 47606 N NE2 . HIS B 1 6 ? 24.060 0.881 2.657 1.00 0.00 ? 6 HIS B NE2 34 ATOM 47607 H H . HIS B 1 6 ? 24.818 -1.643 -1.834 1.00 0.00 ? 6 HIS B H 34 ATOM 47608 H HA . HIS B 1 6 ? 22.349 -1.706 -0.432 1.00 0.00 ? 6 HIS B HA 34 ATOM 47609 H HB2 . HIS B 1 6 ? 24.190 0.411 -1.433 1.00 0.00 ? 6 HIS B HB2 34 ATOM 47610 H HB3 . HIS B 1 6 ? 22.532 0.886 -1.076 1.00 0.00 ? 6 HIS B HB3 34 ATOM 47611 H HD1 . HIS B 1 6 ? 24.116 -1.740 1.035 1.00 0.00 ? 6 HIS B HD1 34 ATOM 47612 H HD2 . HIS B 1 6 ? 23.426 2.356 1.160 1.00 0.00 ? 6 HIS B HD2 34 ATOM 47613 H HE1 . HIS B 1 6 ? 24.587 -1.051 3.407 1.00 0.00 ? 6 HIS B HE1 34 ATOM 47614 H HE2 . HIS B 1 6 ? 24.164 1.432 3.461 1.00 0.00 ? 6 HIS B HE2 34 ATOM 47615 N N . GLU B 1 7 ? 22.269 -0.788 -3.601 1.00 0.00 ? 7 GLU B N 34 ATOM 47616 C CA . GLU B 1 7 ? 21.387 -0.663 -4.755 1.00 0.00 ? 7 GLU B CA 34 ATOM 47617 C C . GLU B 1 7 ? 20.644 -1.972 -5.006 1.00 0.00 ? 7 GLU B C 34 ATOM 47618 O O . GLU B 1 7 ? 19.580 -1.983 -5.625 1.00 0.00 ? 7 GLU B O 34 ATOM 47619 C CB . GLU B 1 7 ? 22.188 -0.267 -5.997 1.00 0.00 ? 7 GLU B CB 34 ATOM 47620 C CG . GLU B 1 7 ? 23.072 -1.379 -6.535 1.00 0.00 ? 7 GLU B CG 34 ATOM 47621 C CD . GLU B 1 7 ? 22.889 -1.601 -8.024 1.00 0.00 ? 7 GLU B CD 34 ATOM 47622 O OE1 . GLU B 1 7 ? 23.599 -0.944 -8.814 1.00 0.00 ? 7 GLU B OE1 34 ATOM 47623 O OE2 . GLU B 1 7 ? 22.035 -2.431 -8.399 1.00 0.00 ? 7 GLU B OE2 34 ATOM 47624 H H . GLU B 1 7 ? 23.227 -0.636 -3.715 1.00 0.00 ? 7 GLU B H 34 ATOM 47625 H HA . GLU B 1 7 ? 20.667 0.112 -4.539 1.00 0.00 ? 7 GLU B HA 34 ATOM 47626 H HB2 . GLU B 1 7 ? 21.500 0.025 -6.777 1.00 0.00 ? 7 GLU B HB2 34 ATOM 47627 H HB3 . GLU B 1 7 ? 22.817 0.577 -5.752 1.00 0.00 ? 7 GLU B HB3 34 ATOM 47628 H HG2 . GLU B 1 7 ? 24.106 -1.123 -6.351 1.00 0.00 ? 7 GLU B HG2 34 ATOM 47629 H HG3 . GLU B 1 7 ? 22.833 -2.296 -6.017 1.00 0.00 ? 7 GLU B HG3 34 ATOM 47630 N N . ASN B 1 8 ? 21.209 -3.076 -4.518 1.00 0.00 ? 8 ASN B N 34 ATOM 47631 C CA . ASN B 1 8 ? 20.595 -4.389 -4.684 1.00 0.00 ? 8 ASN B CA 34 ATOM 47632 C C . ASN B 1 8 ? 19.356 -4.512 -3.807 1.00 0.00 ? 8 ASN B C 34 ATOM 47633 O O . ASN B 1 8 ? 18.249 -4.715 -4.306 1.00 0.00 ? 8 ASN B O 34 ATOM 47634 C CB . ASN B 1 8 ? 21.595 -5.494 -4.341 1.00 0.00 ? 8 ASN B CB 34 ATOM 47635 C CG . ASN B 1 8 ? 21.858 -6.421 -5.511 1.00 0.00 ? 8 ASN B CG 34 ATOM 47636 O OD1 . ASN B 1 8 ? 21.084 -7.341 -5.775 1.00 0.00 ? 8 ASN B OD1 34 ATOM 47637 N ND2 . ASN B 1 8 ? 22.955 -6.183 -6.220 1.00 0.00 ? 8 ASN B ND2 34 ATOM 47638 H H . ASN B 1 8 ? 22.057 -3.006 -4.030 1.00 0.00 ? 8 ASN B H 34 ATOM 47639 H HA . ASN B 1 8 ? 20.300 -4.487 -5.718 1.00 0.00 ? 8 ASN B HA 34 ATOM 47640 H HB2 . ASN B 1 8 ? 22.531 -5.046 -4.044 1.00 0.00 ? 8 ASN B HB2 34 ATOM 47641 H HB3 . ASN B 1 8 ? 21.205 -6.081 -3.520 1.00 0.00 ? 8 ASN B HB3 34 ATOM 47642 H HD21 . ASN B 1 8 ? 23.525 -5.432 -5.952 1.00 0.00 ? 8 ASN B HD21 34 ATOM 47643 H HD22 . ASN B 1 8 ? 23.149 -6.766 -6.983 1.00 0.00 ? 8 ASN B HD22 34 ATOM 47644 N N . GLU B 1 9 ? 19.543 -4.365 -2.498 1.00 0.00 ? 9 GLU B N 34 ATOM 47645 C CA . GLU B 1 9 ? 18.426 -4.439 -1.562 1.00 0.00 ? 9 GLU B CA 34 ATOM 47646 C C . GLU B 1 9 ? 17.539 -3.195 -1.679 1.00 0.00 ? 9 GLU B C 34 ATOM 47647 O O . GLU B 1 9 ? 16.459 -3.133 -1.091 1.00 0.00 ? 9 GLU B O 34 ATOM 47648 C CB . GLU B 1 9 ? 18.942 -4.579 -0.129 1.00 0.00 ? 9 GLU B CB 34 ATOM 47649 C CG . GLU B 1 9 ? 19.836 -5.790 0.081 1.00 0.00 ? 9 GLU B CG 34 ATOM 47650 C CD . GLU B 1 9 ? 21.179 -5.427 0.684 1.00 0.00 ? 9 GLU B CD 34 ATOM 47651 O OE1 . GLU B 1 9 ? 21.662 -4.304 0.422 1.00 0.00 ? 9 GLU B OE1 34 ATOM 47652 O OE2 . GLU B 1 9 ? 21.747 -6.263 1.416 1.00 0.00 ? 9 GLU B OE2 34 ATOM 47653 H H . GLU B 1 9 ? 20.448 -4.185 -2.156 1.00 0.00 ? 9 GLU B H 34 ATOM 47654 H HA . GLU B 1 9 ? 17.840 -5.310 -1.813 1.00 0.00 ? 9 GLU B HA 34 ATOM 47655 H HB2 . GLU B 1 9 ? 19.506 -3.693 0.127 1.00 0.00 ? 9 GLU B HB2 34 ATOM 47656 H HB3 . GLU B 1 9 ? 18.097 -4.662 0.539 1.00 0.00 ? 9 GLU B HB3 34 ATOM 47657 H HG2 . GLU B 1 9 ? 19.336 -6.480 0.745 1.00 0.00 ? 9 GLU B HG2 34 ATOM 47658 H HG3 . GLU B 1 9 ? 20.003 -6.267 -0.873 1.00 0.00 ? 9 GLU B HG3 34 ATOM 47659 N N . ILE B 1 10 ? 18.003 -2.211 -2.449 1.00 0.00 ? 10 ILE B N 34 ATOM 47660 C CA . ILE B 1 10 ? 17.271 -0.974 -2.656 1.00 0.00 ? 10 ILE B CA 34 ATOM 47661 C C . ILE B 1 10 ? 16.370 -1.098 -3.882 1.00 0.00 ? 10 ILE B C 34 ATOM 47662 O O . ILE B 1 10 ? 15.308 -0.481 -3.952 1.00 0.00 ? 10 ILE B O 34 ATOM 47663 C CB . ILE B 1 10 ? 18.262 0.212 -2.810 1.00 0.00 ? 10 ILE B CB 34 ATOM 47664 C CG1 . ILE B 1 10 ? 18.865 0.567 -1.450 1.00 0.00 ? 10 ILE B CG1 34 ATOM 47665 C CG2 . ILE B 1 10 ? 17.609 1.441 -3.430 1.00 0.00 ? 10 ILE B CG2 34 ATOM 47666 C CD1 . ILE B 1 10 ? 20.118 1.410 -1.545 1.00 0.00 ? 10 ILE B CD1 34 ATOM 47667 H H . ILE B 1 10 ? 18.862 -2.319 -2.896 1.00 0.00 ? 10 ILE B H 34 ATOM 47668 H HA . ILE B 1 10 ? 16.656 -0.799 -1.784 1.00 0.00 ? 10 ILE B HA 34 ATOM 47669 H HB . ILE B 1 10 ? 19.058 -0.105 -3.466 1.00 0.00 ? 10 ILE B HB 34 ATOM 47670 H HG12 . ILE B 1 10 ? 18.137 1.121 -0.875 1.00 0.00 ? 10 ILE B HG12 34 ATOM 47671 H HG13 . ILE B 1 10 ? 19.115 -0.343 -0.924 1.00 0.00 ? 10 ILE B HG13 34 ATOM 47672 H HG21 . ILE B 1 10 ? 17.113 1.163 -4.348 1.00 0.00 ? 10 ILE B HG21 34 ATOM 47673 H HG22 . ILE B 1 10 ? 16.889 1.855 -2.740 1.00 0.00 ? 10 ILE B HG22 34 ATOM 47674 H HG23 . ILE B 1 10 ? 18.370 2.179 -3.642 1.00 0.00 ? 10 ILE B HG23 34 ATOM 47675 H HD11 . ILE B 1 10 ? 20.717 1.071 -2.377 1.00 0.00 ? 10 ILE B HD11 34 ATOM 47676 H HD12 . ILE B 1 10 ? 19.846 2.444 -1.695 1.00 0.00 ? 10 ILE B HD12 34 ATOM 47677 H HD13 . ILE B 1 10 ? 20.685 1.316 -0.631 1.00 0.00 ? 10 ILE B HD13 34 ATOM 47678 N N . SER B 1 11 ? 16.794 -1.918 -4.836 1.00 0.00 ? 11 SER B N 34 ATOM 47679 C CA . SER B 1 11 ? 16.014 -2.138 -6.044 1.00 0.00 ? 11 SER B CA 34 ATOM 47680 C C . SER B 1 11 ? 14.895 -3.127 -5.756 1.00 0.00 ? 11 SER B C 34 ATOM 47681 O O . SER B 1 11 ? 13.813 -3.052 -6.340 1.00 0.00 ? 11 SER B O 34 ATOM 47682 C CB . SER B 1 11 ? 16.906 -2.663 -7.171 1.00 0.00 ? 11 SER B CB 34 ATOM 47683 O OG . SER B 1 11 ? 17.763 -3.692 -6.708 1.00 0.00 ? 11 SER B OG 34 ATOM 47684 H H . SER B 1 11 ? 17.642 -2.396 -4.719 1.00 0.00 ? 11 SER B H 34 ATOM 47685 H HA . SER B 1 11 ? 15.581 -1.194 -6.340 1.00 0.00 ? 11 SER B HA 34 ATOM 47686 H HB2 . SER B 1 11 ? 16.287 -3.057 -7.963 1.00 0.00 ? 11 SER B HB2 34 ATOM 47687 H HB3 . SER B 1 11 ? 17.509 -1.853 -7.556 1.00 0.00 ? 11 SER B HB3 34 ATOM 47688 H HG . SER B 1 11 ? 18.478 -3.821 -7.336 1.00 0.00 ? 11 SER B HG 34 ATOM 47689 N N . HIS B 1 12 ? 15.162 -4.045 -4.833 1.00 0.00 ? 12 HIS B N 34 ATOM 47690 C CA . HIS B 1 12 ? 14.181 -5.043 -4.444 1.00 0.00 ? 12 HIS B CA 34 ATOM 47691 C C . HIS B 1 12 ? 13.135 -4.406 -3.530 1.00 0.00 ? 12 HIS B C 34 ATOM 47692 O O . HIS B 1 12 ? 11.934 -4.541 -3.766 1.00 0.00 ? 12 HIS B O 34 ATOM 47693 C CB . HIS B 1 12 ? 14.895 -6.247 -3.786 1.00 0.00 ? 12 HIS B CB 34 ATOM 47694 C CG . HIS B 1 12 ? 14.222 -6.817 -2.569 1.00 0.00 ? 12 HIS B CG 34 ATOM 47695 N ND1 . HIS B 1 12 ? 13.337 -7.874 -2.619 1.00 0.00 ? 12 HIS B ND1 34 ATOM 47696 C CD2 . HIS B 1 12 ? 14.318 -6.468 -1.267 1.00 0.00 ? 12 HIS B CD2 34 ATOM 47697 C CE1 . HIS B 1 12 ? 12.915 -8.148 -1.398 1.00 0.00 ? 12 HIS B CE1 34 ATOM 47698 N NE2 . HIS B 1 12 ? 13.496 -7.310 -0.560 1.00 0.00 ? 12 HIS B NE2 34 ATOM 47699 H H . HIS B 1 12 ? 16.039 -4.043 -4.393 1.00 0.00 ? 12 HIS B H 34 ATOM 47700 H HA . HIS B 1 12 ? 13.686 -5.378 -5.345 1.00 0.00 ? 12 HIS B HA 34 ATOM 47701 H HB2 . HIS B 1 12 ? 14.974 -7.040 -4.512 1.00 0.00 ? 12 HIS B HB2 34 ATOM 47702 H HB3 . HIS B 1 12 ? 15.891 -5.940 -3.497 1.00 0.00 ? 12 HIS B HB3 34 ATOM 47703 H HD1 . HIS B 1 12 ? 13.058 -8.350 -3.429 1.00 0.00 ? 12 HIS B HD1 34 ATOM 47704 H HD2 . HIS B 1 12 ? 14.928 -5.673 -0.861 1.00 0.00 ? 12 HIS B HD2 34 ATOM 47705 H HE1 . HIS B 1 12 ? 12.215 -8.926 -1.130 1.00 0.00 ? 12 HIS B HE1 34 ATOM 47706 H HE2 . HIS B 1 12 ? 13.360 -7.294 0.411 1.00 0.00 ? 12 HIS B HE2 34 ATOM 47707 N N . HIS B 1 13 ? 13.588 -3.695 -2.498 1.00 0.00 ? 13 HIS B N 34 ATOM 47708 C CA . HIS B 1 13 ? 12.664 -3.035 -1.591 1.00 0.00 ? 13 HIS B CA 34 ATOM 47709 C C . HIS B 1 13 ? 11.886 -1.963 -2.333 1.00 0.00 ? 13 HIS B C 34 ATOM 47710 O O . HIS B 1 13 ? 10.770 -1.631 -1.959 1.00 0.00 ? 13 HIS B O 34 ATOM 47711 C CB . HIS B 1 13 ? 13.400 -2.396 -0.422 1.00 0.00 ? 13 HIS B CB 34 ATOM 47712 C CG . HIS B 1 13 ? 14.066 -3.365 0.491 1.00 0.00 ? 13 HIS B CG 34 ATOM 47713 N ND1 . HIS B 1 13 ? 13.616 -4.650 0.708 1.00 0.00 ? 13 HIS B ND1 34 ATOM 47714 C CD2 . HIS B 1 13 ? 15.167 -3.217 1.249 1.00 0.00 ? 13 HIS B CD2 34 ATOM 47715 C CE1 . HIS B 1 13 ? 14.417 -5.251 1.570 1.00 0.00 ? 13 HIS B CE1 34 ATOM 47716 N NE2 . HIS B 1 13 ? 15.368 -4.402 1.913 1.00 0.00 ? 13 HIS B NE2 34 ATOM 47717 H H . HIS B 1 13 ? 14.558 -3.600 -2.355 1.00 0.00 ? 13 HIS B H 34 ATOM 47718 H HA . HIS B 1 13 ? 11.974 -3.776 -1.216 1.00 0.00 ? 13 HIS B HA 34 ATOM 47719 H HB2 . HIS B 1 13 ? 14.161 -1.739 -0.807 1.00 0.00 ? 13 HIS B HB2 34 ATOM 47720 H HB3 . HIS B 1 13 ? 12.698 -1.821 0.162 1.00 0.00 ? 13 HIS B HB3 34 ATOM 47721 H HD1 . HIS B 1 13 ? 12.826 -5.058 0.295 1.00 0.00 ? 13 HIS B HD1 34 ATOM 47722 H HD2 . HIS B 1 13 ? 15.771 -2.325 1.317 1.00 0.00 ? 13 HIS B HD2 34 ATOM 47723 H HE1 . HIS B 1 13 ? 14.314 -6.264 1.930 1.00 0.00 ? 13 HIS B HE1 34 ATOM 47724 H HE2 . HIS B 1 13 ? 16.099 -4.590 2.539 1.00 0.00 ? 13 HIS B HE2 34 ATOM 47725 N N . ALA B 1 14 ? 12.493 -1.417 -3.384 1.00 0.00 ? 14 ALA B N 34 ATOM 47726 C CA . ALA B 1 14 ? 11.853 -0.375 -4.176 1.00 0.00 ? 14 ALA B CA 34 ATOM 47727 C C . ALA B 1 14 ? 10.622 -0.914 -4.892 1.00 0.00 ? 14 ALA B C 34 ATOM 47728 O O . ALA B 1 14 ? 9.540 -0.334 -4.807 1.00 0.00 ? 14 ALA B O 34 ATOM 47729 C CB . ALA B 1 14 ? 12.839 0.208 -5.178 1.00 0.00 ? 14 ALA B CB 34 ATOM 47730 H H . ALA B 1 14 ? 13.393 -1.721 -3.629 1.00 0.00 ? 14 ALA B H 34 ATOM 47731 H HA . ALA B 1 14 ? 11.548 0.415 -3.504 1.00 0.00 ? 14 ALA B HA 34 ATOM 47732 H HB1 . ALA B 1 14 ? 13.466 -0.581 -5.567 1.00 0.00 ? 14 ALA B HB1 34 ATOM 47733 H HB2 . ALA B 1 14 ? 13.455 0.948 -4.689 1.00 0.00 ? 14 ALA B HB2 34 ATOM 47734 H HB3 . ALA B 1 14 ? 12.296 0.670 -5.989 1.00 0.00 ? 14 ALA B HB3 34 ATOM 47735 N N . LYS B 1 15 ? 10.787 -2.032 -5.592 1.00 0.00 ? 15 LYS B N 34 ATOM 47736 C CA . LYS B 1 15 ? 9.675 -2.641 -6.310 1.00 0.00 ? 15 LYS B CA 34 ATOM 47737 C C . LYS B 1 15 ? 8.610 -3.122 -5.330 1.00 0.00 ? 15 LYS B C 34 ATOM 47738 O O . LYS B 1 15 ? 7.425 -3.187 -5.661 1.00 0.00 ? 15 LYS B O 34 ATOM 47739 C CB . LYS B 1 15 ? 10.168 -3.811 -7.163 1.00 0.00 ? 15 LYS B CB 34 ATOM 47740 C CG . LYS B 1 15 ? 11.066 -4.778 -6.407 1.00 0.00 ? 15 LYS B CG 34 ATOM 47741 C CD . LYS B 1 15 ? 11.316 -6.046 -7.206 1.00 0.00 ? 15 LYS B CD 34 ATOM 47742 C CE . LYS B 1 15 ? 10.013 -6.691 -7.651 1.00 0.00 ? 15 LYS B CE 34 ATOM 47743 N NZ . LYS B 1 15 ? 9.567 -6.185 -8.979 1.00 0.00 ? 15 LYS B NZ 34 ATOM 47744 H H . LYS B 1 15 ? 11.673 -2.459 -5.621 1.00 0.00 ? 15 LYS B H 34 ATOM 47745 H HA . LYS B 1 15 ? 9.244 -1.890 -6.954 1.00 0.00 ? 15 LYS B HA 34 ATOM 47746 H HB2 . LYS B 1 15 ? 9.314 -4.359 -7.530 1.00 0.00 ? 15 LYS B HB2 34 ATOM 47747 H HB3 . LYS B 1 15 ? 10.724 -3.421 -8.003 1.00 0.00 ? 15 LYS B HB3 34 ATOM 47748 H HG2 . LYS B 1 15 ? 12.012 -4.297 -6.210 1.00 0.00 ? 15 LYS B HG2 34 ATOM 47749 H HG3 . LYS B 1 15 ? 10.590 -5.040 -5.473 1.00 0.00 ? 15 LYS B HG3 34 ATOM 47750 H HD2 . LYS B 1 15 ? 11.900 -5.800 -8.081 1.00 0.00 ? 15 LYS B HD2 34 ATOM 47751 H HD3 . LYS B 1 15 ? 11.862 -6.746 -6.592 1.00 0.00 ? 15 LYS B HD3 34 ATOM 47752 H HE2 . LYS B 1 15 ? 10.157 -7.759 -7.713 1.00 0.00 ? 15 LYS B HE2 34 ATOM 47753 H HE3 . LYS B 1 15 ? 9.250 -6.473 -6.918 1.00 0.00 ? 15 LYS B HE3 34 ATOM 47754 H HZ1 . LYS B 1 15 ? 10.295 -5.567 -9.389 1.00 0.00 ? 15 LYS B HZ1 34 ATOM 47755 H HZ2 . LYS B 1 15 ? 9.399 -6.981 -9.627 1.00 0.00 ? 15 LYS B HZ2 34 ATOM 47756 H HZ3 . LYS B 1 15 ? 8.686 -5.643 -8.877 1.00 0.00 ? 15 LYS B HZ3 34 ATOM 47757 N N . GLU B 1 16 ? 9.045 -3.456 -4.121 1.00 0.00 ? 16 GLU B N 34 ATOM 47758 C CA . GLU B 1 16 ? 8.138 -3.934 -3.085 1.00 0.00 ? 16 GLU B CA 34 ATOM 47759 C C . GLU B 1 16 ? 7.236 -2.815 -2.575 1.00 0.00 ? 16 GLU B C 34 ATOM 47760 O O . GLU B 1 16 ? 6.048 -3.031 -2.335 1.00 0.00 ? 16 GLU B O 34 ATOM 47761 C CB . GLU B 1 16 ? 8.932 -4.530 -1.921 1.00 0.00 ? 16 GLU B CB 34 ATOM 47762 C CG . GLU B 1 16 ? 9.249 -6.007 -2.093 1.00 0.00 ? 16 GLU B CG 34 ATOM 47763 C CD . GLU B 1 16 ? 9.774 -6.333 -3.478 1.00 0.00 ? 16 GLU B CD 34 ATOM 47764 O OE1 . GLU B 1 16 ? 9.014 -6.167 -4.455 1.00 0.00 ? 16 GLU B OE1 34 ATOM 47765 O OE2 . GLU B 1 16 ? 10.945 -6.753 -3.584 1.00 0.00 ? 16 GLU B OE2 34 ATOM 47766 H H . GLU B 1 16 ? 10.001 -3.381 -3.920 1.00 0.00 ? 16 GLU B H 34 ATOM 47767 H HA . GLU B 1 16 ? 7.521 -4.707 -3.517 1.00 0.00 ? 16 GLU B HA 34 ATOM 47768 H HB2 . GLU B 1 16 ? 9.864 -3.994 -1.823 1.00 0.00 ? 16 GLU B HB2 34 ATOM 47769 H HB3 . GLU B 1 16 ? 8.361 -4.410 -1.013 1.00 0.00 ? 16 GLU B HB3 34 ATOM 47770 H HG2 . GLU B 1 16 ? 9.995 -6.289 -1.366 1.00 0.00 ? 16 GLU B HG2 34 ATOM 47771 H HG3 . GLU B 1 16 ? 8.347 -6.577 -1.922 1.00 0.00 ? 16 GLU B HG3 34 ATOM 47772 N N . ILE B 1 17 ? 7.800 -1.622 -2.402 1.00 0.00 ? 17 ILE B N 34 ATOM 47773 C CA . ILE B 1 17 ? 7.028 -0.490 -1.908 1.00 0.00 ? 17 ILE B CA 34 ATOM 47774 C C . ILE B 1 17 ? 5.993 -0.043 -2.942 1.00 0.00 ? 17 ILE B C 34 ATOM 47775 O O . ILE B 1 17 ? 4.886 0.367 -2.591 1.00 0.00 ? 17 ILE B O 34 ATOM 47776 C CB . ILE B 1 17 ? 7.950 0.691 -1.501 1.00 0.00 ? 17 ILE B CB 34 ATOM 47777 C CG1 . ILE B 1 17 ? 8.348 1.553 -2.708 1.00 0.00 ? 17 ILE B CG1 34 ATOM 47778 C CG2 . ILE B 1 17 ? 9.189 0.170 -0.800 1.00 0.00 ? 17 ILE B CG2 34 ATOM 47779 C CD1 . ILE B 1 17 ? 7.482 2.781 -2.884 1.00 0.00 ? 17 ILE B CD1 34 ATOM 47780 H H . ILE B 1 17 ? 8.754 -1.501 -2.601 1.00 0.00 ? 17 ILE B H 34 ATOM 47781 H HA . ILE B 1 17 ? 6.501 -0.821 -1.024 1.00 0.00 ? 17 ILE B HA 34 ATOM 47782 H HB . ILE B 1 17 ? 7.417 1.301 -0.792 1.00 0.00 ? 17 ILE B HB 34 ATOM 47783 H HG12 . ILE B 1 17 ? 9.368 1.884 -2.585 1.00 0.00 ? 17 ILE B HG12 34 ATOM 47784 H HG13 . ILE B 1 17 ? 8.272 0.961 -3.606 1.00 0.00 ? 17 ILE B HG13 34 ATOM 47785 H HG21 . ILE B 1 17 ? 9.133 -0.904 -0.716 1.00 0.00 ? 17 ILE B HG21 34 ATOM 47786 H HG22 . ILE B 1 17 ? 10.066 0.443 -1.365 1.00 0.00 ? 17 ILE B HG22 34 ATOM 47787 H HG23 . ILE B 1 17 ? 9.243 0.601 0.183 1.00 0.00 ? 17 ILE B HG23 34 ATOM 47788 H HD11 . ILE B 1 17 ? 7.218 3.178 -1.915 1.00 0.00 ? 17 ILE B HD11 34 ATOM 47789 H HD12 . ILE B 1 17 ? 8.026 3.528 -3.443 1.00 0.00 ? 17 ILE B HD12 34 ATOM 47790 H HD13 . ILE B 1 17 ? 6.583 2.514 -3.420 1.00 0.00 ? 17 ILE B HD13 34 ATOM 47791 N N . GLU B 1 18 ? 6.360 -0.132 -4.216 1.00 0.00 ? 18 GLU B N 34 ATOM 47792 C CA . GLU B 1 18 ? 5.462 0.256 -5.296 1.00 0.00 ? 18 GLU B CA 34 ATOM 47793 C C . GLU B 1 18 ? 4.325 -0.750 -5.436 1.00 0.00 ? 18 GLU B C 34 ATOM 47794 O O . GLU B 1 18 ? 3.223 -0.403 -5.862 1.00 0.00 ? 18 GLU B O 34 ATOM 47795 C CB . GLU B 1 18 ? 6.230 0.362 -6.615 1.00 0.00 ? 18 GLU B CB 34 ATOM 47796 C CG . GLU B 1 18 ? 7.137 1.580 -6.695 1.00 0.00 ? 18 GLU B CG 34 ATOM 47797 C CD . GLU B 1 18 ? 6.372 2.858 -6.985 1.00 0.00 ? 18 GLU B CD 34 ATOM 47798 O OE1 . GLU B 1 18 ? 5.676 3.351 -6.073 1.00 0.00 ? 18 GLU B OE1 34 ATOM 47799 O OE2 . GLU B 1 18 ? 6.470 3.362 -8.122 1.00 0.00 ? 18 GLU B OE2 34 ATOM 47800 H H . GLU B 1 18 ? 7.254 -0.473 -4.435 1.00 0.00 ? 18 GLU B H 34 ATOM 47801 H HA . GLU B 1 18 ? 5.046 1.222 -5.051 1.00 0.00 ? 18 GLU B HA 34 ATOM 47802 H HB2 . GLU B 1 18 ? 6.839 -0.521 -6.735 1.00 0.00 ? 18 GLU B HB2 34 ATOM 47803 H HB3 . GLU B 1 18 ? 5.521 0.414 -7.427 1.00 0.00 ? 18 GLU B HB3 34 ATOM 47804 H HG2 . GLU B 1 18 ? 7.650 1.692 -5.752 1.00 0.00 ? 18 GLU B HG2 34 ATOM 47805 H HG3 . GLU B 1 18 ? 7.859 1.423 -7.482 1.00 0.00 ? 18 GLU B HG3 34 ATOM 47806 N N . ARG B 1 19 ? 4.602 -2.000 -5.077 1.00 0.00 ? 19 ARG B N 34 ATOM 47807 C CA . ARG B 1 19 ? 3.606 -3.061 -5.164 1.00 0.00 ? 19 ARG B CA 34 ATOM 47808 C C . ARG B 1 19 ? 2.510 -2.884 -4.113 1.00 0.00 ? 19 ARG B C 34 ATOM 47809 O O . ARG B 1 19 ? 1.328 -3.068 -4.402 1.00 0.00 ? 19 ARG B O 34 ATOM 47810 C CB . ARG B 1 19 ? 4.271 -4.427 -4.997 1.00 0.00 ? 19 ARG B CB 34 ATOM 47811 C CG . ARG B 1 19 ? 3.876 -5.433 -6.065 1.00 0.00 ? 19 ARG B CG 34 ATOM 47812 C CD . ARG B 1 19 ? 4.614 -5.178 -7.370 1.00 0.00 ? 19 ARG B CD 34 ATOM 47813 N NE . ARG B 1 19 ? 5.160 -6.407 -7.939 1.00 0.00 ? 19 ARG B NE 34 ATOM 47814 C CZ . ARG B 1 19 ? 5.606 -6.506 -9.187 1.00 0.00 ? 19 ARG B CZ 34 ATOM 47815 N NH1 . ARG B 1 19 ? 5.569 -5.454 -9.992 1.00 0.00 ? 19 ARG B NH1 34 ATOM 47816 N NH2 . ARG B 1 19 ? 6.089 -7.659 -9.631 1.00 0.00 ? 19 ARG B NH2 34 ATOM 47817 H H . ARG B 1 19 ? 5.501 -2.215 -4.749 1.00 0.00 ? 19 ARG B H 34 ATOM 47818 H HA . ARG B 1 19 ? 3.154 -3.010 -6.144 1.00 0.00 ? 19 ARG B HA 34 ATOM 47819 H HB2 . ARG B 1 19 ? 5.344 -4.299 -5.033 1.00 0.00 ? 19 ARG B HB2 34 ATOM 47820 H HB3 . ARG B 1 19 ? 3.999 -4.833 -4.033 1.00 0.00 ? 19 ARG B HB3 34 ATOM 47821 H HG2 . ARG B 1 19 ? 4.115 -6.427 -5.717 1.00 0.00 ? 19 ARG B HG2 34 ATOM 47822 H HG3 . ARG B 1 19 ? 2.813 -5.357 -6.242 1.00 0.00 ? 19 ARG B HG3 34 ATOM 47823 H HD2 . ARG B 1 19 ? 3.925 -4.741 -8.078 1.00 0.00 ? 19 ARG B HD2 34 ATOM 47824 H HD3 . ARG B 1 19 ? 5.423 -4.489 -7.183 1.00 0.00 ? 19 ARG B HD3 34 ATOM 47825 H HE . ARG B 1 19 ? 5.197 -7.198 -7.360 1.00 0.00 ? 19 ARG B HE 34 ATOM 47826 H HH11 . ARG B 1 19 ? 5.205 -4.583 -9.660 1.00 0.00 ? 19 ARG B HH11 34 ATOM 47827 H HH12 . ARG B 1 19 ? 5.904 -5.530 -10.931 1.00 0.00 ? 19 ARG B HH12 34 ATOM 47828 H HH21 . ARG B 1 19 ? 6.119 -8.455 -9.027 1.00 0.00 ? 19 ARG B HH21 34 ATOM 47829 H HH22 . ARG B 1 19 ? 6.423 -7.731 -10.571 1.00 0.00 ? 19 ARG B HH22 34 ATOM 47830 N N . LEU B 1 20 ? 2.907 -2.531 -2.893 1.00 0.00 ? 20 LEU B N 34 ATOM 47831 C CA . LEU B 1 20 ? 1.952 -2.339 -1.809 1.00 0.00 ? 20 LEU B CA 34 ATOM 47832 C C . LEU B 1 20 ? 1.134 -1.072 -2.025 1.00 0.00 ? 20 LEU B C 34 ATOM 47833 O O . LEU B 1 20 ? -0.031 -0.998 -1.631 1.00 0.00 ? 20 LEU B O 34 ATOM 47834 C CB . LEU B 1 20 ? 2.679 -2.276 -0.465 1.00 0.00 ? 20 LEU B CB 34 ATOM 47835 C CG . LEU B 1 20 ? 3.104 -3.630 0.103 1.00 0.00 ? 20 LEU B CG 34 ATOM 47836 C CD1 . LEU B 1 20 ? 1.945 -4.614 0.062 1.00 0.00 ? 20 LEU B CD1 34 ATOM 47837 C CD2 . LEU B 1 20 ? 4.297 -4.178 -0.667 1.00 0.00 ? 20 LEU B CD2 34 ATOM 47838 H H . LEU B 1 20 ? 3.862 -2.398 -2.716 1.00 0.00 ? 20 LEU B H 34 ATOM 47839 H HA . LEU B 1 20 ? 1.283 -3.187 -1.806 1.00 0.00 ? 20 LEU B HA 34 ATOM 47840 H HB2 . LEU B 1 20 ? 3.561 -1.663 -0.585 1.00 0.00 ? 20 LEU B HB2 34 ATOM 47841 H HB3 . LEU B 1 20 ? 2.026 -1.799 0.251 1.00 0.00 ? 20 LEU B HB3 34 ATOM 47842 H HG . LEU B 1 20 ? 3.399 -3.504 1.134 1.00 0.00 ? 20 LEU B HG 34 ATOM 47843 H HD11 . LEU B 1 20 ? 1.066 -4.153 0.491 1.00 0.00 ? 20 LEU B HD11 34 ATOM 47844 H HD12 . LEU B 1 20 ? 1.743 -4.890 -0.962 1.00 0.00 ? 20 LEU B HD12 34 ATOM 47845 H HD13 . LEU B 1 20 ? 2.201 -5.496 0.630 1.00 0.00 ? 20 LEU B HD13 34 ATOM 47846 H HD21 . LEU B 1 20 ? 4.111 -4.094 -1.727 1.00 0.00 ? 20 LEU B HD21 34 ATOM 47847 H HD22 . LEU B 1 20 ? 5.181 -3.613 -0.411 1.00 0.00 ? 20 LEU B HD22 34 ATOM 47848 H HD23 . LEU B 1 20 ? 4.445 -5.217 -0.408 1.00 0.00 ? 20 LEU B HD23 34 ATOM 47849 N N . GLN B 1 21 ? 1.748 -0.077 -2.657 1.00 0.00 ? 21 GLN B N 34 ATOM 47850 C CA . GLN B 1 21 ? 1.071 1.185 -2.927 1.00 0.00 ? 21 GLN B CA 34 ATOM 47851 C C . GLN B 1 21 ? 0.051 1.017 -4.047 1.00 0.00 ? 21 GLN B C 34 ATOM 47852 O O . GLN B 1 21 ? -0.990 1.674 -4.057 1.00 0.00 ? 21 GLN B O 34 ATOM 47853 C CB . GLN B 1 21 ? 2.088 2.264 -3.302 1.00 0.00 ? 21 GLN B CB 34 ATOM 47854 C CG . GLN B 1 21 ? 1.892 3.573 -2.554 1.00 0.00 ? 21 GLN B CG 34 ATOM 47855 C CD . GLN B 1 21 ? 3.127 4.452 -2.588 1.00 0.00 ? 21 GLN B CD 34 ATOM 47856 O OE1 . GLN B 1 21 ? 3.447 5.131 -1.612 1.00 0.00 ? 21 GLN B OE1 34 ATOM 47857 N NE2 . GLN B 1 21 ? 3.829 4.443 -3.716 1.00 0.00 ? 21 GLN B NE2 34 ATOM 47858 H H . GLN B 1 21 ? 2.676 -0.196 -2.949 1.00 0.00 ? 21 GLN B H 34 ATOM 47859 H HA . GLN B 1 21 ? 0.552 1.482 -2.028 1.00 0.00 ? 21 GLN B HA 34 ATOM 47860 H HB2 . GLN B 1 21 ? 3.080 1.897 -3.088 1.00 0.00 ? 21 GLN B HB2 34 ATOM 47861 H HB3 . GLN B 1 21 ? 2.009 2.465 -4.360 1.00 0.00 ? 21 GLN B HB3 34 ATOM 47862 H HG2 . GLN B 1 21 ? 1.073 4.112 -3.004 1.00 0.00 ? 21 GLN B HG2 34 ATOM 47863 H HG3 . GLN B 1 21 ? 1.654 3.351 -1.524 1.00 0.00 ? 21 GLN B HG3 34 ATOM 47864 H HE21 . GLN B 1 21 ? 3.515 3.878 -4.451 1.00 0.00 ? 21 GLN B HE21 34 ATOM 47865 H HE22 . GLN B 1 21 ? 4.633 5.003 -3.764 1.00 0.00 ? 21 GLN B HE22 34 ATOM 47866 N N . LYS B 1 22 ? 0.355 0.127 -4.986 1.00 0.00 ? 22 LYS B N 34 ATOM 47867 C CA . LYS B 1 22 ? -0.540 -0.132 -6.106 1.00 0.00 ? 22 LYS B CA 34 ATOM 47868 C C . LYS B 1 22 ? -1.750 -0.936 -5.646 1.00 0.00 ? 22 LYS B C 34 ATOM 47869 O O . LYS B 1 22 ? -2.847 -0.791 -6.185 1.00 0.00 ? 22 LYS B O 34 ATOM 47870 C CB . LYS B 1 22 ? 0.198 -0.887 -7.213 1.00 0.00 ? 22 LYS B CB 34 ATOM 47871 C CG . LYS B 1 22 ? 0.386 -0.073 -8.484 1.00 0.00 ? 22 LYS B CG 34 ATOM 47872 C CD . LYS B 1 22 ? 1.805 0.461 -8.597 1.00 0.00 ? 22 LYS B CD 34 ATOM 47873 C CE . LYS B 1 22 ? 1.904 1.888 -8.084 1.00 0.00 ? 22 LYS B CE 34 ATOM 47874 N NZ . LYS B 1 22 ? 1.535 2.881 -9.130 1.00 0.00 ? 22 LYS B NZ 34 ATOM 47875 H H . LYS B 1 22 ? 1.196 -0.370 -4.921 1.00 0.00 ? 22 LYS B H 34 ATOM 47876 H HA . LYS B 1 22 ? -0.878 0.819 -6.490 1.00 0.00 ? 22 LYS B HA 34 ATOM 47877 H HB2 . LYS B 1 22 ? 1.173 -1.174 -6.849 1.00 0.00 ? 22 LYS B HB2 34 ATOM 47878 H HB3 . LYS B 1 22 ? -0.361 -1.777 -7.461 1.00 0.00 ? 22 LYS B HB3 34 ATOM 47879 H HG2 . LYS B 1 22 ? 0.181 -0.703 -9.336 1.00 0.00 ? 22 LYS B HG2 34 ATOM 47880 H HG3 . LYS B 1 22 ? -0.303 0.758 -8.473 1.00 0.00 ? 22 LYS B HG3 34 ATOM 47881 H HD2 . LYS B 1 22 ? 2.463 -0.167 -8.015 1.00 0.00 ? 22 LYS B HD2 34 ATOM 47882 H HD3 . LYS B 1 22 ? 2.105 0.439 -9.634 1.00 0.00 ? 22 LYS B HD3 34 ATOM 47883 H HE2 . LYS B 1 22 ? 1.236 2.001 -7.242 1.00 0.00 ? 22 LYS B HE2 34 ATOM 47884 H HE3 . LYS B 1 22 ? 2.918 2.073 -7.764 1.00 0.00 ? 22 LYS B HE3 34 ATOM 47885 H HZ1 . LYS B 1 22 ? 1.146 2.395 -9.963 1.00 0.00 ? 22 LYS B HZ1 34 ATOM 47886 H HZ2 . LYS B 1 22 ? 0.820 3.540 -8.760 1.00 0.00 ? 22 LYS B HZ2 34 ATOM 47887 H HZ3 . LYS B 1 22 ? 2.374 3.424 -9.418 1.00 0.00 ? 22 LYS B HZ3 34 ATOM 47888 N N . GLU B 1 23 ? -1.540 -1.784 -4.645 1.00 0.00 ? 23 GLU B N 34 ATOM 47889 C CA . GLU B 1 23 ? -2.611 -2.613 -4.110 1.00 0.00 ? 23 GLU B CA 34 ATOM 47890 C C . GLU B 1 23 ? -3.609 -1.775 -3.320 1.00 0.00 ? 23 GLU B C 34 ATOM 47891 O O . GLU B 1 23 ? -4.819 -1.919 -3.491 1.00 0.00 ? 23 GLU B O 34 ATOM 47892 C CB . GLU B 1 23 ? -2.039 -3.719 -3.224 1.00 0.00 ? 23 GLU B CB 34 ATOM 47893 C CG . GLU B 1 23 ? -1.044 -4.620 -3.939 1.00 0.00 ? 23 GLU B CG 34 ATOM 47894 C CD . GLU B 1 23 ? -1.677 -5.901 -4.444 1.00 0.00 ? 23 GLU B CD 34 ATOM 47895 O OE1 . GLU B 1 23 ? -2.373 -5.849 -5.480 1.00 0.00 ? 23 GLU B OE1 34 ATOM 47896 O OE2 . GLU B 1 23 ? -1.477 -6.954 -3.806 1.00 0.00 ? 23 GLU B OE2 34 ATOM 47897 H H . GLU B 1 23 ? -0.641 -1.854 -4.258 1.00 0.00 ? 23 GLU B H 34 ATOM 47898 H HA . GLU B 1 23 ? -3.126 -3.063 -4.946 1.00 0.00 ? 23 GLU B HA 34 ATOM 47899 H HB2 . GLU B 1 23 ? -1.539 -3.267 -2.380 1.00 0.00 ? 23 GLU B HB2 34 ATOM 47900 H HB3 . GLU B 1 23 ? -2.851 -4.333 -2.863 1.00 0.00 ? 23 GLU B HB3 34 ATOM 47901 H HG2 . GLU B 1 23 ? -0.632 -4.082 -4.780 1.00 0.00 ? 23 GLU B HG2 34 ATOM 47902 H HG3 . GLU B 1 23 ? -0.250 -4.874 -3.251 1.00 0.00 ? 23 GLU B HG3 34 ATOM 47903 N N . ILE B 1 24 ? -3.103 -0.898 -2.458 1.00 0.00 ? 24 ILE B N 34 ATOM 47904 C CA . ILE B 1 24 ? -3.975 -0.049 -1.660 1.00 0.00 ? 24 ILE B CA 34 ATOM 47905 C C . ILE B 1 24 ? -4.702 0.953 -2.548 1.00 0.00 ? 24 ILE B C 34 ATOM 47906 O O . ILE B 1 24 ? -5.827 1.354 -2.253 1.00 0.00 ? 24 ILE B O 34 ATOM 47907 C CB . ILE B 1 24 ? -3.200 0.703 -0.558 1.00 0.00 ? 24 ILE B CB 34 ATOM 47908 C CG1 . ILE B 1 24 ? -4.168 1.469 0.348 1.00 0.00 ? 24 ILE B CG1 34 ATOM 47909 C CG2 . ILE B 1 24 ? -2.163 1.629 -1.160 1.00 0.00 ? 24 ILE B CG2 34 ATOM 47910 C CD1 . ILE B 1 24 ? -4.722 2.737 -0.257 1.00 0.00 ? 24 ILE B CD1 34 ATOM 47911 H H . ILE B 1 24 ? -2.129 -0.818 -2.362 1.00 0.00 ? 24 ILE B H 34 ATOM 47912 H HA . ILE B 1 24 ? -4.708 -0.685 -1.185 1.00 0.00 ? 24 ILE B HA 34 ATOM 47913 H HB . ILE B 1 24 ? -2.677 -0.025 0.036 1.00 0.00 ? 24 ILE B HB 34 ATOM 47914 H HG12 . ILE B 1 24 ? -5.005 0.832 0.581 1.00 0.00 ? 24 ILE B HG12 34 ATOM 47915 H HG13 . ILE B 1 24 ? -3.659 1.734 1.262 1.00 0.00 ? 24 ILE B HG13 34 ATOM 47916 H HG21 . ILE B 1 24 ? -2.199 1.560 -2.236 1.00 0.00 ? 24 ILE B HG21 34 ATOM 47917 H HG22 . ILE B 1 24 ? -2.366 2.644 -0.854 1.00 0.00 ? 24 ILE B HG22 34 ATOM 47918 H HG23 . ILE B 1 24 ? -1.184 1.336 -0.812 1.00 0.00 ? 24 ILE B HG23 34 ATOM 47919 H HD11 . ILE B 1 24 ? -4.204 2.955 -1.179 1.00 0.00 ? 24 ILE B HD11 34 ATOM 47920 H HD12 . ILE B 1 24 ? -5.775 2.605 -0.458 1.00 0.00 ? 24 ILE B HD12 34 ATOM 47921 H HD13 . ILE B 1 24 ? -4.588 3.555 0.436 1.00 0.00 ? 24 ILE B HD13 34 ATOM 47922 N N . GLU B 1 25 ? -4.057 1.346 -3.641 1.00 0.00 ? 25 GLU B N 34 ATOM 47923 C CA . GLU B 1 25 ? -4.654 2.293 -4.573 1.00 0.00 ? 25 GLU B CA 34 ATOM 47924 C C . GLU B 1 25 ? -5.889 1.686 -5.229 1.00 0.00 ? 25 GLU B C 34 ATOM 47925 O O . GLU B 1 25 ? -6.924 2.342 -5.359 1.00 0.00 ? 25 GLU B O 34 ATOM 47926 C CB . GLU B 1 25 ? -3.639 2.702 -5.642 1.00 0.00 ? 25 GLU B CB 34 ATOM 47927 C CG . GLU B 1 25 ? -4.098 3.869 -6.502 1.00 0.00 ? 25 GLU B CG 34 ATOM 47928 C CD . GLU B 1 25 ? -2.941 4.677 -7.054 1.00 0.00 ? 25 GLU B CD 34 ATOM 47929 O OE1 . GLU B 1 25 ? -1.984 4.065 -7.575 1.00 0.00 ? 25 GLU B OE1 34 ATOM 47930 O OE2 . GLU B 1 25 ? -2.990 5.922 -6.965 1.00 0.00 ? 25 GLU B OE2 34 ATOM 47931 H H . GLU B 1 25 ? -3.166 0.986 -3.829 1.00 0.00 ? 25 GLU B H 34 ATOM 47932 H HA . GLU B 1 25 ? -4.951 3.168 -4.014 1.00 0.00 ? 25 GLU B HA 34 ATOM 47933 H HB2 . GLU B 1 25 ? -2.715 2.981 -5.157 1.00 0.00 ? 25 GLU B HB2 34 ATOM 47934 H HB3 . GLU B 1 25 ? -3.455 1.857 -6.289 1.00 0.00 ? 25 GLU B HB3 34 ATOM 47935 H HG2 . GLU B 1 25 ? -4.675 3.485 -7.329 1.00 0.00 ? 25 GLU B HG2 34 ATOM 47936 H HG3 . GLU B 1 25 ? -4.719 4.519 -5.902 1.00 0.00 ? 25 GLU B HG3 34 ATOM 47937 N N . ARG B 1 26 ? -5.774 0.426 -5.638 1.00 0.00 ? 26 ARG B N 34 ATOM 47938 C CA . ARG B 1 26 ? -6.883 -0.271 -6.276 1.00 0.00 ? 26 ARG B CA 34 ATOM 47939 C C . ARG B 1 26 ? -8.011 -0.518 -5.280 1.00 0.00 ? 26 ARG B C 34 ATOM 47940 O O . ARG B 1 26 ? -9.191 -0.451 -5.631 1.00 0.00 ? 26 ARG B O 34 ATOM 47941 C CB . ARG B 1 26 ? -6.406 -1.600 -6.866 1.00 0.00 ? 26 ARG B CB 34 ATOM 47942 C CG . ARG B 1 26 ? -7.516 -2.410 -7.516 1.00 0.00 ? 26 ARG B CG 34 ATOM 47943 C CD . ARG B 1 26 ? -7.640 -2.093 -8.998 1.00 0.00 ? 26 ARG B CD 34 ATOM 47944 N NE . ARG B 1 26 ? -7.900 -3.289 -9.793 1.00 0.00 ? 26 ARG B NE 34 ATOM 47945 C CZ . ARG B 1 26 ? -7.703 -3.358 -11.105 1.00 0.00 ? 26 ARG B CZ 34 ATOM 47946 N NH1 . ARG B 1 26 ? -7.248 -2.302 -11.766 1.00 0.00 ? 26 ARG B NH1 34 ATOM 47947 N NH2 . ARG B 1 26 ? -7.962 -4.483 -11.759 1.00 0.00 ? 26 ARG B NH2 34 ATOM 47948 H H . ARG B 1 26 ? -4.924 -0.049 -5.503 1.00 0.00 ? 26 ARG B H 34 ATOM 47949 H HA . ARG B 1 26 ? -7.254 0.354 -7.075 1.00 0.00 ? 26 ARG B HA 34 ATOM 47950 H HB2 . ARG B 1 26 ? -5.651 -1.399 -7.611 1.00 0.00 ? 26 ARG B HB2 34 ATOM 47951 H HB3 . ARG B 1 26 ? -5.970 -2.195 -6.076 1.00 0.00 ? 26 ARG B HB3 34 ATOM 47952 H HG2 . ARG B 1 26 ? -7.297 -3.461 -7.401 1.00 0.00 ? 26 ARG B HG2 34 ATOM 47953 H HG3 . ARG B 1 26 ? -8.450 -2.179 -7.027 1.00 0.00 ? 26 ARG B HG3 34 ATOM 47954 H HD2 . ARG B 1 26 ? -8.454 -1.397 -9.136 1.00 0.00 ? 26 ARG B HD2 34 ATOM 47955 H HD3 . ARG B 1 26 ? -6.719 -1.640 -9.334 1.00 0.00 ? 26 ARG B HD3 34 ATOM 47956 H HE . ARG B 1 26 ? -8.236 -4.082 -9.324 1.00 0.00 ? 26 ARG B HE 34 ATOM 47957 H HH11 . ARG B 1 26 ? -7.051 -1.453 -11.276 1.00 0.00 ? 26 ARG B HH11 34 ATOM 47958 H HH12 . ARG B 1 26 ? -7.100 -2.355 -12.753 1.00 0.00 ? 26 ARG B HH12 34 ATOM 47959 H HH21 . ARG B 1 26 ? -8.305 -5.280 -11.263 1.00 0.00 ? 26 ARG B HH21 34 ATOM 47960 H HH22 . ARG B 1 26 ? -7.814 -4.532 -12.746 1.00 0.00 ? 26 ARG B HH22 34 ATOM 47961 N N . HIS B 1 27 ? -7.642 -0.797 -4.033 1.00 0.00 ? 27 HIS B N 34 ATOM 47962 C CA . HIS B 1 27 ? -8.624 -1.045 -2.992 1.00 0.00 ? 27 HIS B CA 34 ATOM 47963 C C . HIS B 1 27 ? -9.276 0.257 -2.546 1.00 0.00 ? 27 HIS B C 34 ATOM 47964 O O . HIS B 1 27 ? -10.367 0.248 -1.978 1.00 0.00 ? 27 HIS B O 34 ATOM 47965 C CB . HIS B 1 27 ? -7.963 -1.741 -1.801 1.00 0.00 ? 27 HIS B CB 34 ATOM 47966 C CG . HIS B 1 27 ? -8.499 -3.114 -1.542 1.00 0.00 ? 27 HIS B CG 34 ATOM 47967 N ND1 . HIS B 1 27 ? -9.710 -3.347 -0.924 1.00 0.00 ? 27 HIS B ND1 34 ATOM 47968 C CD2 . HIS B 1 27 ? -7.983 -4.334 -1.827 1.00 0.00 ? 27 HIS B CD2 34 ATOM 47969 C CE1 . HIS B 1 27 ? -9.915 -4.649 -0.838 1.00 0.00 ? 27 HIS B CE1 34 ATOM 47970 N NE2 . HIS B 1 27 ? -8.883 -5.268 -1.380 1.00 0.00 ? 27 HIS B NE2 34 ATOM 47971 H H . HIS B 1 27 ? -6.690 -0.827 -3.806 1.00 0.00 ? 27 HIS B H 34 ATOM 47972 H HA . HIS B 1 27 ? -9.383 -1.695 -3.400 1.00 0.00 ? 27 HIS B HA 34 ATOM 47973 H HB2 . HIS B 1 27 ? -6.903 -1.828 -1.987 1.00 0.00 ? 27 HIS B HB2 34 ATOM 47974 H HB3 . HIS B 1 27 ? -8.120 -1.148 -0.914 1.00 0.00 ? 27 HIS B HB3 34 ATOM 47975 H HD1 . HIS B 1 27 ? -10.327 -2.660 -0.596 1.00 0.00 ? 27 HIS B HD1 34 ATOM 47976 H HD2 . HIS B 1 27 ? -7.040 -4.532 -2.316 1.00 0.00 ? 27 HIS B HD2 34 ATOM 47977 H HE1 . HIS B 1 27 ? -10.781 -5.126 -0.403 1.00 0.00 ? 27 HIS B HE1 34 ATOM 47978 H HE2 . HIS B 1 27 ? -8.778 -6.241 -1.449 1.00 0.00 ? 27 HIS B HE2 34 ATOM 47979 N N . LYS B 1 28 ? -8.606 1.376 -2.813 1.00 0.00 ? 28 LYS B N 34 ATOM 47980 C CA . LYS B 1 28 ? -9.129 2.683 -2.444 1.00 0.00 ? 28 LYS B CA 34 ATOM 47981 C C . LYS B 1 28 ? -10.191 3.130 -3.438 1.00 0.00 ? 28 LYS B C 34 ATOM 47982 O O . LYS B 1 28 ? -11.159 3.796 -3.072 1.00 0.00 ? 28 LYS B O 34 ATOM 47983 C CB . LYS B 1 28 ? -8.000 3.714 -2.384 1.00 0.00 ? 28 LYS B CB 34 ATOM 47984 C CG . LYS B 1 28 ? -8.425 5.048 -1.790 1.00 0.00 ? 28 LYS B CG 34 ATOM 47985 C CD . LYS B 1 28 ? -7.902 6.215 -2.610 1.00 0.00 ? 28 LYS B CD 34 ATOM 47986 C CE . LYS B 1 28 ? -6.465 6.551 -2.249 1.00 0.00 ? 28 LYS B CE 34 ATOM 47987 N NZ . LYS B 1 28 ? -5.855 7.504 -3.217 1.00 0.00 ? 28 LYS B NZ 34 ATOM 47988 H H . LYS B 1 28 ? -7.745 1.323 -3.273 1.00 0.00 ? 28 LYS B H 34 ATOM 47989 H HA . LYS B 1 28 ? -9.580 2.596 -1.470 1.00 0.00 ? 28 LYS B HA 34 ATOM 47990 H HB2 . LYS B 1 28 ? -7.196 3.316 -1.782 1.00 0.00 ? 28 LYS B HB2 34 ATOM 47991 H HB3 . LYS B 1 28 ? -7.635 3.890 -3.385 1.00 0.00 ? 28 LYS B HB3 34 ATOM 47992 H HG2 . LYS B 1 28 ? -9.503 5.092 -1.765 1.00 0.00 ? 28 LYS B HG2 34 ATOM 47993 H HG3 . LYS B 1 28 ? -8.036 5.123 -0.785 1.00 0.00 ? 28 LYS B HG3 34 ATOM 47994 H HD2 . LYS B 1 28 ? -7.948 5.956 -3.658 1.00 0.00 ? 28 LYS B HD2 34 ATOM 47995 H HD3 . LYS B 1 28 ? -8.522 7.080 -2.424 1.00 0.00 ? 28 LYS B HD3 34 ATOM 47996 H HE2 . LYS B 1 28 ? -6.447 6.993 -1.264 1.00 0.00 ? 28 LYS B HE2 34 ATOM 47997 H HE3 . LYS B 1 28 ? -5.886 5.639 -2.243 1.00 0.00 ? 28 LYS B HE3 34 ATOM 47998 H HZ1 . LYS B 1 28 ? -6.573 7.832 -3.895 1.00 0.00 ? 28 LYS B HZ1 34 ATOM 47999 H HZ2 . LYS B 1 28 ? -5.468 8.328 -2.713 1.00 0.00 ? 28 LYS B HZ2 34 ATOM 48000 H HZ3 . LYS B 1 28 ? -5.087 7.039 -3.741 1.00 0.00 ? 28 LYS B HZ3 34 ATOM 48001 N N . GLN B 1 29 ? -10.006 2.752 -4.698 1.00 0.00 ? 29 GLN B N 34 ATOM 48002 C CA . GLN B 1 29 ? -10.955 3.105 -5.745 1.00 0.00 ? 29 GLN B CA 34 ATOM 48003 C C . GLN B 1 29 ? -12.246 2.313 -5.583 1.00 0.00 ? 29 GLN B C 34 ATOM 48004 O O . GLN B 1 29 ? -13.341 2.846 -5.764 1.00 0.00 ? 29 GLN B O 34 ATOM 48005 C CB . GLN B 1 29 ? -10.348 2.844 -7.125 1.00 0.00 ? 29 GLN B CB 34 ATOM 48006 C CG . GLN B 1 29 ? -11.321 3.070 -8.270 1.00 0.00 ? 29 GLN B CG 34 ATOM 48007 C CD . GLN B 1 29 ? -11.319 1.931 -9.271 1.00 0.00 ? 29 GLN B CD 34 ATOM 48008 O OE1 . GLN B 1 29 ? -12.126 1.006 -9.178 1.00 0.00 ? 29 GLN B OE1 34 ATOM 48009 N NE2 . GLN B 1 29 ? -10.408 1.992 -10.235 1.00 0.00 ? 29 GLN B NE2 34 ATOM 48010 H H . GLN B 1 29 ? -9.215 2.218 -4.927 1.00 0.00 ? 29 GLN B H 34 ATOM 48011 H HA . GLN B 1 29 ? -11.177 4.158 -5.651 1.00 0.00 ? 29 GLN B HA 34 ATOM 48012 H HB2 . GLN B 1 29 ? -9.503 3.501 -7.265 1.00 0.00 ? 29 GLN B HB2 34 ATOM 48013 H HB3 . GLN B 1 29 ? -10.007 1.819 -7.167 1.00 0.00 ? 29 GLN B HB3 34 ATOM 48014 H HG2 . GLN B 1 29 ? -12.317 3.170 -7.865 1.00 0.00 ? 29 GLN B HG2 34 ATOM 48015 H HG3 . GLN B 1 29 ? -11.049 3.980 -8.783 1.00 0.00 ? 29 GLN B HG3 34 ATOM 48016 H HE21 . GLN B 1 29 ? -9.797 2.758 -10.246 1.00 0.00 ? 29 GLN B HE21 34 ATOM 48017 H HE22 . GLN B 1 29 ? -10.383 1.269 -10.896 1.00 0.00 ? 29 GLN B HE22 34 ATOM 48018 N N . SER B 1 30 ? -12.111 1.035 -5.237 1.00 0.00 ? 30 SER B N 34 ATOM 48019 C CA . SER B 1 30 ? -13.271 0.170 -5.046 1.00 0.00 ? 30 SER B CA 34 ATOM 48020 C C . SER B 1 30 ? -14.050 0.568 -3.794 1.00 0.00 ? 30 SER B C 34 ATOM 48021 O O . SER B 1 30 ? -15.279 0.629 -3.810 1.00 0.00 ? 30 SER B O 34 ATOM 48022 C CB . SER B 1 30 ? -12.831 -1.291 -4.943 1.00 0.00 ? 30 SER B CB 34 ATOM 48023 O OG . SER B 1 30 ? -12.054 -1.510 -3.779 1.00 0.00 ? 30 SER B OG 34 ATOM 48024 H H . SER B 1 30 ? -11.210 0.666 -5.106 1.00 0.00 ? 30 SER B H 34 ATOM 48025 H HA . SER B 1 30 ? -13.913 0.284 -5.906 1.00 0.00 ? 30 SER B HA 34 ATOM 48026 H HB2 . SER B 1 30 ? -13.705 -1.926 -4.902 1.00 0.00 ? 30 SER B HB2 34 ATOM 48027 H HB3 . SER B 1 30 ? -12.240 -1.549 -5.810 1.00 0.00 ? 30 SER B HB3 34 ATOM 48028 H HG . SER B 1 30 ? -12.176 -2.413 -3.478 1.00 0.00 ? 30 SER B HG 34 ATOM 48029 N N . ILE B 1 31 ? -13.326 0.838 -2.712 1.00 0.00 ? 31 ILE B N 34 ATOM 48030 C CA . ILE B 1 31 ? -13.946 1.231 -1.449 1.00 0.00 ? 31 ILE B CA 34 ATOM 48031 C C . ILE B 1 31 ? -14.506 2.647 -1.527 1.00 0.00 ? 31 ILE B C 34 ATOM 48032 O O . ILE B 1 31 ? -15.423 3.005 -0.787 1.00 0.00 ? 31 ILE B O 34 ATOM 48033 C CB . ILE B 1 31 ? -12.939 1.146 -0.286 1.00 0.00 ? 31 ILE B CB 34 ATOM 48034 C CG1 . ILE B 1 31 ? -13.590 1.541 1.040 1.00 0.00 ? 31 ILE B CG1 34 ATOM 48035 C CG2 . ILE B 1 31 ? -11.744 2.047 -0.555 1.00 0.00 ? 31 ILE B CG2 34 ATOM 48036 C CD1 . ILE B 1 31 ? -14.543 0.503 1.583 1.00 0.00 ? 31 ILE B CD1 34 ATOM 48037 H H . ILE B 1 31 ? -12.348 0.772 -2.763 1.00 0.00 ? 31 ILE B H 34 ATOM 48038 H HA . ILE B 1 31 ? -14.756 0.545 -1.248 1.00 0.00 ? 31 ILE B HA 34 ATOM 48039 H HB . ILE B 1 31 ? -12.591 0.123 -0.219 1.00 0.00 ? 31 ILE B HB 34 ATOM 48040 H HG12 . ILE B 1 31 ? -12.815 1.691 1.778 1.00 0.00 ? 31 ILE B HG12 34 ATOM 48041 H HG13 . ILE B 1 31 ? -14.139 2.461 0.906 1.00 0.00 ? 31 ILE B HG13 34 ATOM 48042 H HG21 . ILE B 1 31 ? -11.525 2.054 -1.610 1.00 0.00 ? 31 ILE B HG21 34 ATOM 48043 H HG22 . ILE B 1 31 ? -11.971 3.050 -0.232 1.00 0.00 ? 31 ILE B HG22 34 ATOM 48044 H HG23 . ILE B 1 31 ? -10.888 1.680 -0.013 1.00 0.00 ? 31 ILE B HG23 34 ATOM 48045 H HD11 . ILE B 1 31 ? -15.114 0.079 0.771 1.00 0.00 ? 31 ILE B HD11 34 ATOM 48046 H HD12 . ILE B 1 31 ? -13.978 -0.277 2.073 1.00 0.00 ? 31 ILE B HD12 34 ATOM 48047 H HD13 . ILE B 1 31 ? -15.211 0.965 2.293 1.00 0.00 ? 31 ILE B HD13 34 ATOM 48048 N N . LYS B 1 32 ? -13.952 3.450 -2.431 1.00 0.00 ? 32 LYS B N 34 ATOM 48049 C CA . LYS B 1 32 ? -14.401 4.826 -2.606 1.00 0.00 ? 32 LYS B CA 34 ATOM 48050 C C . LYS B 1 32 ? -15.664 4.878 -3.458 1.00 0.00 ? 32 LYS B C 34 ATOM 48051 O O . LYS B 1 32 ? -16.516 5.746 -3.271 1.00 0.00 ? 32 LYS B O 34 ATOM 48052 C CB . LYS B 1 32 ? -13.299 5.666 -3.254 1.00 0.00 ? 32 LYS B CB 34 ATOM 48053 C CG . LYS B 1 32 ? -13.713 7.103 -3.528 1.00 0.00 ? 32 LYS B CG 34 ATOM 48054 C CD . LYS B 1 32 ? -12.503 8.008 -3.699 1.00 0.00 ? 32 LYS B CD 34 ATOM 48055 C CE . LYS B 1 32 ? -11.955 7.944 -5.116 1.00 0.00 ? 32 LYS B CE 34 ATOM 48056 N NZ . LYS B 1 32 ? -11.204 9.178 -5.478 1.00 0.00 ? 32 LYS B NZ 34 ATOM 48057 H H . LYS B 1 32 ? -13.228 3.108 -2.995 1.00 0.00 ? 32 LYS B H 34 ATOM 48058 H HA . LYS B 1 32 ? -14.623 5.229 -1.629 1.00 0.00 ? 32 LYS B HA 34 ATOM 48059 H HB2 . LYS B 1 32 ? -12.441 5.681 -2.598 1.00 0.00 ? 32 LYS B HB2 34 ATOM 48060 H HB3 . LYS B 1 32 ? -13.018 5.210 -4.190 1.00 0.00 ? 32 LYS B HB3 34 ATOM 48061 H HG2 . LYS B 1 32 ? -14.301 7.132 -4.433 1.00 0.00 ? 32 LYS B HG2 34 ATOM 48062 H HG3 . LYS B 1 32 ? -14.305 7.461 -2.700 1.00 0.00 ? 32 LYS B HG3 34 ATOM 48063 H HD2 . LYS B 1 32 ? -12.793 9.025 -3.482 1.00 0.00 ? 32 LYS B HD2 34 ATOM 48064 H HD3 . LYS B 1 32 ? -11.733 7.696 -3.010 1.00 0.00 ? 32 LYS B HD3 34 ATOM 48065 H HE2 . LYS B 1 32 ? -11.293 7.095 -5.194 1.00 0.00 ? 32 LYS B HE2 34 ATOM 48066 H HE3 . LYS B 1 32 ? -12.781 7.820 -5.802 1.00 0.00 ? 32 LYS B HE3 34 ATOM 48067 H HZ1 . LYS B 1 32 ? -11.122 9.801 -4.650 1.00 0.00 ? 32 LYS B HZ1 34 ATOM 48068 H HZ2 . LYS B 1 32 ? -10.250 8.931 -5.809 1.00 0.00 ? 32 LYS B HZ2 34 ATOM 48069 H HZ3 . LYS B 1 32 ? -11.702 9.690 -6.235 1.00 0.00 ? 32 LYS B HZ3 34 ATOM 48070 N N . LYS B 1 33 ? -15.781 3.939 -4.391 1.00 0.00 ? 33 LYS B N 34 ATOM 48071 C CA . LYS B 1 33 ? -16.942 3.875 -5.269 1.00 0.00 ? 33 LYS B CA 34 ATOM 48072 C C . LYS B 1 33 ? -18.153 3.331 -4.520 1.00 0.00 ? 33 LYS B C 34 ATOM 48073 O O . LYS B 1 33 ? -19.284 3.756 -4.756 1.00 0.00 ? 33 LYS B O 34 ATOM 48074 C CB . LYS B 1 33 ? -16.641 2.996 -6.485 1.00 0.00 ? 33 LYS B CB 34 ATOM 48075 C CG . LYS B 1 33 ? -16.013 3.755 -7.642 1.00 0.00 ? 33 LYS B CG 34 ATOM 48076 C CD . LYS B 1 33 ? -16.335 3.100 -8.976 1.00 0.00 ? 33 LYS B CD 34 ATOM 48077 C CE . LYS B 1 33 ? -16.055 4.039 -10.139 1.00 0.00 ? 33 LYS B CE 34 ATOM 48078 N NZ . LYS B 1 33 ? -17.086 3.923 -11.207 1.00 0.00 ? 33 LYS B NZ 34 ATOM 48079 H H . LYS B 1 33 ? -15.069 3.271 -4.489 1.00 0.00 ? 33 LYS B H 34 ATOM 48080 H HA . LYS B 1 33 ? -17.159 4.877 -5.604 1.00 0.00 ? 33 LYS B HA 34 ATOM 48081 H HB2 . LYS B 1 33 ? -15.963 2.210 -6.188 1.00 0.00 ? 33 LYS B HB2 34 ATOM 48082 H HB3 . LYS B 1 33 ? -17.563 2.553 -6.831 1.00 0.00 ? 33 LYS B HB3 34 ATOM 48083 H HG2 . LYS B 1 33 ? -16.396 4.765 -7.648 1.00 0.00 ? 33 LYS B HG2 34 ATOM 48084 H HG3 . LYS B 1 33 ? -14.942 3.774 -7.509 1.00 0.00 ? 33 LYS B HG3 34 ATOM 48085 H HD2 . LYS B 1 33 ? -15.726 2.215 -9.087 1.00 0.00 ? 33 LYS B HD2 34 ATOM 48086 H HD3 . LYS B 1 33 ? -17.379 2.826 -8.989 1.00 0.00 ? 33 LYS B HD3 34 ATOM 48087 H HE2 . LYS B 1 33 ? -16.043 5.054 -9.771 1.00 0.00 ? 33 LYS B HE2 34 ATOM 48088 H HE3 . LYS B 1 33 ? -15.088 3.796 -10.556 1.00 0.00 ? 33 LYS B HE3 34 ATOM 48089 H HZ1 . LYS B 1 33 ? -17.164 2.936 -11.524 1.00 0.00 ? 33 LYS B HZ1 34 ATOM 48090 H HZ2 . LYS B 1 33 ? -18.011 4.232 -10.844 1.00 0.00 ? 33 LYS B HZ2 34 ATOM 48091 H HZ3 . LYS B 1 33 ? -16.827 4.518 -12.020 1.00 0.00 ? 33 LYS B HZ3 34 ATOM 48092 N N . LEU B 1 34 ? -17.908 2.391 -3.614 1.00 0.00 ? 34 LEU B N 34 ATOM 48093 C CA . LEU B 1 34 ? -18.977 1.790 -2.826 1.00 0.00 ? 34 LEU B CA 34 ATOM 48094 C C . LEU B 1 34 ? -19.476 2.762 -1.762 1.00 0.00 ? 34 LEU B C 34 ATOM 48095 O O . LEU B 1 34 ? -20.673 2.838 -1.488 1.00 0.00 ? 34 LEU B O 34 ATOM 48096 C CB . LEU B 1 34 ? -18.493 0.498 -2.168 1.00 0.00 ? 34 LEU B CB 34 ATOM 48097 C CG . LEU B 1 34 ? -18.959 -0.790 -2.851 1.00 0.00 ? 34 LEU B CG 34 ATOM 48098 C CD1 . LEU B 1 34 ? -18.005 -1.933 -2.540 1.00 0.00 ? 34 LEU B CD1 34 ATOM 48099 C CD2 . LEU B 1 34 ? -20.374 -1.140 -2.416 1.00 0.00 ? 34 LEU B CD2 34 ATOM 48100 H H . LEU B 1 34 ? -16.984 2.095 -3.468 1.00 0.00 ? 34 LEU B H 34 ATOM 48101 H HA . LEU B 1 34 ? -19.793 1.560 -3.496 1.00 0.00 ? 34 LEU B HA 34 ATOM 48102 H HB2 . LEU B 1 34 ? -17.413 0.506 -2.159 1.00 0.00 ? 34 LEU B HB2 34 ATOM 48103 H HB3 . LEU B 1 34 ? -18.844 0.484 -1.148 1.00 0.00 ? 34 LEU B HB3 34 ATOM 48104 H HG . LEU B 1 34 ? -18.963 -0.641 -3.920 1.00 0.00 ? 34 LEU B HG 34 ATOM 48105 H HD11 . LEU B 1 34 ? -17.833 -1.979 -1.475 1.00 0.00 ? 34 LEU B HD11 34 ATOM 48106 H HD12 . LEU B 1 34 ? -18.437 -2.864 -2.876 1.00 0.00 ? 34 LEU B HD12 34 ATOM 48107 H HD13 . LEU B 1 34 ? -17.067 -1.768 -3.048 1.00 0.00 ? 34 LEU B HD13 34 ATOM 48108 H HD21 . LEU B 1 34 ? -20.749 -0.371 -1.757 1.00 0.00 ? 34 LEU B HD21 34 ATOM 48109 H HD22 . LEU B 1 34 ? -21.010 -1.211 -3.286 1.00 0.00 ? 34 LEU B HD22 34 ATOM 48110 H HD23 . LEU B 1 34 ? -20.367 -2.087 -1.896 1.00 0.00 ? 34 LEU B HD23 34 ATOM 48111 N N . LYS B 1 35 ? -18.548 3.506 -1.166 1.00 0.00 ? 35 LYS B N 34 ATOM 48112 C CA . LYS B 1 35 ? -18.895 4.474 -0.133 1.00 0.00 ? 35 LYS B CA 34 ATOM 48113 C C . LYS B 1 35 ? -19.566 5.700 -0.744 1.00 0.00 ? 35 LYS B C 34 ATOM 48114 O O . LYS B 1 35 ? -20.406 6.341 -0.112 1.00 0.00 ? 35 LYS B O 34 ATOM 48115 C CB . LYS B 1 35 ? -17.647 4.895 0.643 1.00 0.00 ? 35 LYS B CB 34 ATOM 48116 C CG . LYS B 1 35 ? -17.948 5.749 1.863 1.00 0.00 ? 35 LYS B CG 34 ATOM 48117 C CD . LYS B 1 35 ? -16.983 6.919 1.977 1.00 0.00 ? 35 LYS B CD 34 ATOM 48118 C CE . LYS B 1 35 ? -15.560 6.445 2.229 1.00 0.00 ? 35 LYS B CE 34 ATOM 48119 N NZ . LYS B 1 35 ? -15.337 6.093 3.659 1.00 0.00 ? 35 LYS B NZ 34 ATOM 48120 H H . LYS B 1 35 ? -17.609 3.401 -1.428 1.00 0.00 ? 35 LYS B H 34 ATOM 48121 H HA . LYS B 1 35 ? -19.589 4.001 0.546 1.00 0.00 ? 35 LYS B HA 34 ATOM 48122 H HB2 . LYS B 1 35 ? -17.125 4.008 0.971 1.00 0.00 ? 35 LYS B HB2 34 ATOM 48123 H HB3 . LYS B 1 35 ? -17.001 5.459 -0.014 1.00 0.00 ? 35 LYS B HB3 34 ATOM 48124 H HG2 . LYS B 1 35 ? -18.954 6.133 1.783 1.00 0.00 ? 35 LYS B HG2 34 ATOM 48125 H HG3 . LYS B 1 35 ? -17.863 5.137 2.750 1.00 0.00 ? 35 LYS B HG3 34 ATOM 48126 H HD2 . LYS B 1 35 ? -17.006 7.482 1.056 1.00 0.00 ? 35 LYS B HD2 34 ATOM 48127 H HD3 . LYS B 1 35 ? -17.293 7.551 2.796 1.00 0.00 ? 35 LYS B HD3 34 ATOM 48128 H HE2 . LYS B 1 35 ? -15.372 5.574 1.620 1.00 0.00 ? 35 LYS B HE2 34 ATOM 48129 H HE3 . LYS B 1 35 ? -14.878 7.233 1.949 1.00 0.00 ? 35 LYS B HE3 34 ATOM 48130 H HZ1 . LYS B 1 35 ? -16.215 5.723 4.077 1.00 0.00 ? 35 LYS B HZ1 34 ATOM 48131 H HZ2 . LYS B 1 35 ? -14.596 5.369 3.736 1.00 0.00 ? 35 LYS B HZ2 34 ATOM 48132 H HZ3 . LYS B 1 35 ? -15.042 6.936 4.192 1.00 0.00 ? 35 LYS B HZ3 34 ATOM 48133 N N . GLN B 1 36 ? -19.191 6.019 -1.979 1.00 0.00 ? 36 GLN B N 34 ATOM 48134 C CA . GLN B 1 36 ? -19.759 7.166 -2.676 1.00 0.00 ? 36 GLN B CA 34 ATOM 48135 C C . GLN B 1 36 ? -21.180 6.866 -3.145 1.00 0.00 ? 36 GLN B C 34 ATOM 48136 O O . GLN B 1 36 ? -22.024 7.759 -3.208 1.00 0.00 ? 36 GLN B O 34 ATOM 48137 C CB . GLN B 1 36 ? -18.885 7.547 -3.873 1.00 0.00 ? 36 GLN B CB 34 ATOM 48138 C CG . GLN B 1 36 ? -19.423 8.725 -4.669 1.00 0.00 ? 36 GLN B CG 34 ATOM 48139 C CD . GLN B 1 36 ? -18.935 8.731 -6.104 1.00 0.00 ? 36 GLN B CD 34 ATOM 48140 O OE1 . GLN B 1 36 ? -18.741 7.676 -6.710 1.00 0.00 ? 36 GLN B OE1 34 ATOM 48141 N NE2 . GLN B 1 36 ? -18.733 9.921 -6.657 1.00 0.00 ? 36 GLN B NE2 34 ATOM 48142 H H . GLN B 1 36 ? -18.519 5.469 -2.432 1.00 0.00 ? 36 GLN B H 34 ATOM 48143 H HA . GLN B 1 36 ? -19.788 7.994 -1.985 1.00 0.00 ? 36 GLN B HA 34 ATOM 48144 H HB2 . GLN B 1 36 ? -17.898 7.803 -3.516 1.00 0.00 ? 36 GLN B HB2 34 ATOM 48145 H HB3 . GLN B 1 36 ? -18.810 6.697 -4.534 1.00 0.00 ? 36 GLN B HB3 34 ATOM 48146 H HG2 . GLN B 1 36 ? -20.502 8.678 -4.672 1.00 0.00 ? 36 GLN B HG2 34 ATOM 48147 H HG3 . GLN B 1 36 ? -19.104 9.641 -4.192 1.00 0.00 ? 36 GLN B HG3 34 ATOM 48148 H HE21 . GLN B 1 36 ? -18.908 10.718 -6.114 1.00 0.00 ? 36 GLN B HE21 34 ATOM 48149 H HE22 . GLN B 1 36 ? -18.418 9.954 -7.584 1.00 0.00 ? 36 GLN B HE22 34 ATOM 48150 N N . SER B 1 37 ? -21.434 5.602 -3.469 1.00 0.00 ? 37 SER B N 34 ATOM 48151 C CA . SER B 1 37 ? -22.752 5.183 -3.929 1.00 0.00 ? 37 SER B CA 34 ATOM 48152 C C . SER B 1 37 ? -23.767 5.241 -2.792 1.00 0.00 ? 37 SER B C 34 ATOM 48153 O O . SER B 1 37 ? -24.963 5.421 -3.022 1.00 0.00 ? 37 SER B O 34 ATOM 48154 C CB . SER B 1 37 ? -22.689 3.764 -4.498 1.00 0.00 ? 37 SER B CB 34 ATOM 48155 O OG . SER B 1 37 ? -23.357 3.685 -5.745 1.00 0.00 ? 37 SER B OG 34 ATOM 48156 H H . SER B 1 37 ? -20.719 4.936 -3.395 1.00 0.00 ? 37 SER B H 34 ATOM 48157 H HA . SER B 1 37 ? -23.063 5.861 -4.708 1.00 0.00 ? 37 SER B HA 34 ATOM 48158 H HB2 . SER B 1 37 ? -21.657 3.481 -4.640 1.00 0.00 ? 37 SER B HB2 34 ATOM 48159 H HB3 . SER B 1 37 ? -23.159 3.080 -3.808 1.00 0.00 ? 37 SER B HB3 34 ATOM 48160 H HG . SER B 1 37 ? -23.589 2.772 -5.928 1.00 0.00 ? 37 SER B HG 34 ATOM 48161 N N . GLU B 1 38 ? -23.281 5.089 -1.564 1.00 0.00 ? 38 GLU B N 34 ATOM 48162 C CA . GLU B 1 38 ? -24.147 5.127 -0.391 1.00 0.00 ? 38 GLU B CA 34 ATOM 48163 C C . GLU B 1 38 ? -24.715 6.526 -0.179 1.00 0.00 ? 38 GLU B C 34 ATOM 48164 O O . GLU B 1 38 ? -25.818 6.685 0.345 1.00 0.00 ? 38 GLU B O 34 ATOM 48165 C CB . GLU B 1 38 ? -23.373 4.684 0.853 1.00 0.00 ? 38 GLU B CB 34 ATOM 48166 C CG . GLU B 1 38 ? -24.165 4.822 2.144 1.00 0.00 ? 38 GLU B CG 34 ATOM 48167 C CD . GLU B 1 38 ? -23.288 4.745 3.377 1.00 0.00 ? 38 GLU B CD 34 ATOM 48168 O OE1 . GLU B 1 38 ? -22.327 3.947 3.373 1.00 0.00 ? 38 GLU B OE1 34 ATOM 48169 O OE2 . GLU B 1 38 ? -23.561 5.481 4.347 1.00 0.00 ? 38 GLU B OE2 34 ATOM 48170 H H . GLU B 1 38 ? -22.319 4.950 -1.443 1.00 0.00 ? 38 GLU B H 34 ATOM 48171 H HA . GLU B 1 38 ? -24.963 4.441 -0.558 1.00 0.00 ? 38 GLU B HA 34 ATOM 48172 H HB2 . GLU B 1 38 ? -23.091 3.649 0.738 1.00 0.00 ? 38 GLU B HB2 34 ATOM 48173 H HB3 . GLU B 1 38 ? -22.480 5.284 0.940 1.00 0.00 ? 38 GLU B HB3 34 ATOM 48174 H HG2 . GLU B 1 38 ? -24.671 5.776 2.140 1.00 0.00 ? 38 GLU B HG2 34 ATOM 48175 H HG3 . GLU B 1 38 ? -24.896 4.027 2.188 1.00 0.00 ? 38 GLU B HG3 34 ATOM 48176 N N . ASP B 1 39 ? -23.956 7.536 -0.588 1.00 0.00 ? 39 ASP B N 34 ATOM 48177 C CA . ASP B 1 39 ? -24.385 8.922 -0.444 1.00 0.00 ? 39 ASP B CA 34 ATOM 48178 C C . ASP B 1 39 ? -25.317 9.326 -1.582 1.00 0.00 ? 39 ASP B C 34 ATOM 48179 O O . ASP B 1 39 ? -26.139 10.229 -1.434 1.00 0.00 ? 39 ASP B O 34 ATOM 48180 C CB . ASP B 1 39 ? -23.172 9.853 -0.411 1.00 0.00 ? 39 ASP B CB 34 ATOM 48181 C CG . ASP B 1 39 ? -22.856 10.341 0.990 1.00 0.00 ? 39 ASP B CG 34 ATOM 48182 O OD1 . ASP B 1 39 ? -23.547 9.912 1.938 1.00 0.00 ? 39 ASP B OD1 34 ATOM 48183 O OD2 . ASP B 1 39 ? -21.916 11.150 1.139 1.00 0.00 ? 39 ASP B OD2 34 ATOM 48184 H H . ASP B 1 39 ? -23.086 7.345 -0.998 1.00 0.00 ? 39 ASP B H 34 ATOM 48185 H HA . ASP B 1 39 ? -24.920 9.008 0.491 1.00 0.00 ? 39 ASP B HA 34 ATOM 48186 H HB2 . ASP B 1 39 ? -22.310 9.325 -0.790 1.00 0.00 ? 39 ASP B HB2 34 ATOM 48187 H HB3 . ASP B 1 39 ? -23.367 10.713 -1.036 1.00 0.00 ? 39 ASP B HB3 34 ATOM 48188 N N . ASP B 1 40 ? -25.183 8.648 -2.718 1.00 0.00 ? 40 ASP B N 34 ATOM 48189 C CA . ASP B 1 40 ? -26.014 8.935 -3.882 1.00 0.00 ? 40 ASP B CA 34 ATOM 48190 C C . ASP B 1 40 ? -25.648 10.283 -4.492 1.00 0.00 ? 40 ASP B C 34 ATOM 48191 O O . ASP B 1 40 ? -25.467 11.270 -3.779 1.00 0.00 ? 40 ASP B O 34 ATOM 48192 C CB . ASP B 1 40 ? -27.494 8.923 -3.494 1.00 0.00 ? 40 ASP B CB 34 ATOM 48193 C CG . ASP B 1 40 ? -28.292 7.912 -4.294 1.00 0.00 ? 40 ASP B CG 34 ATOM 48194 O OD1 . ASP B 1 40 ? -28.361 6.740 -3.869 1.00 0.00 ? 40 ASP B OD1 34 ATOM 48195 O OD2 . ASP B 1 40 ? -28.849 8.293 -5.345 1.00 0.00 ? 40 ASP B OD2 34 ATOM 48196 H H . ASP B 1 40 ? -24.510 7.938 -2.775 1.00 0.00 ? 40 ASP B H 34 ATOM 48197 H HA . ASP B 1 40 ? -25.837 8.162 -4.614 1.00 0.00 ? 40 ASP B HA 34 ATOM 48198 H HB2 . ASP B 1 40 ? -27.583 8.676 -2.447 1.00 0.00 ? 40 ASP B HB2 34 ATOM 48199 H HB3 . ASP B 1 40 ? -27.913 9.904 -3.666 1.00 0.00 ? 40 ASP B HB3 34 ATOM 48200 N N . ASP B 1 41 ? -25.540 10.318 -5.816 1.00 0.00 ? 41 ASP B N 34 ATOM 48201 C CA . ASP B 1 41 ? -25.195 11.547 -6.524 1.00 0.00 ? 41 ASP B CA 34 ATOM 48202 C C . ASP B 1 41 ? -25.973 11.659 -7.831 1.00 0.00 ? 41 ASP B C 34 ATOM 48203 O O . ASP B 1 41 ? -26.125 12.792 -8.332 1.00 0.00 ? 41 ASP B O 34 ATOM 48204 C CB . ASP B 1 41 ? -23.692 11.593 -6.805 1.00 0.00 ? 41 ASP B CB 34 ATOM 48205 C CG . ASP B 1 41 ? -22.870 11.700 -5.537 1.00 0.00 ? 41 ASP B CG 34 ATOM 48206 O OD1 . ASP B 1 41 ? -22.717 10.676 -4.839 1.00 0.00 ? 41 ASP B OD1 34 ATOM 48207 O OD2 . ASP B 1 41 ? -22.377 12.811 -5.241 1.00 0.00 ? 41 ASP B OD2 34 ATOM 48208 O OXT . ASP B 1 41 ? -26.424 10.612 -8.342 1.00 0.00 ? 41 ASP B OXT 34 ATOM 48209 H H . ASP B 1 41 ? -25.696 9.499 -6.330 1.00 0.00 ? 41 ASP B H 34 ATOM 48210 H HA . ASP B 1 41 ? -25.459 12.379 -5.888 1.00 0.00 ? 41 ASP B HA 34 ATOM 48211 H HB2 . ASP B 1 41 ? -23.402 10.691 -7.324 1.00 0.00 ? 41 ASP B HB2 34 ATOM 48212 H HB3 . ASP B 1 41 ? -23.475 12.448 -7.429 1.00 0.00 ? 41 ASP B HB3 34 ATOM 48213 N N . ALA A 1 1 ? -26.432 8.464 7.909 1.00 0.00 ? 1 ALA A N 35 ATOM 48214 C CA . ALA A 1 1 ? -26.586 9.472 6.828 1.00 0.00 ? 1 ALA A CA 35 ATOM 48215 C C . ALA A 1 1 ? -27.011 8.813 5.520 1.00 0.00 ? 1 ALA A C 35 ATOM 48216 O O . ALA A 1 1 ? -27.615 9.452 4.658 1.00 0.00 ? 1 ALA A O 35 ATOM 48217 C CB . ALA A 1 1 ? -25.286 10.238 6.634 1.00 0.00 ? 1 ALA A CB 35 ATOM 48218 H H1 . ALA A 1 1 ? -27.177 7.748 7.781 1.00 0.00 ? 1 ALA A H1 35 ATOM 48219 H H2 . ALA A 1 1 ? -25.486 8.042 7.817 1.00 0.00 ? 1 ALA A H2 35 ATOM 48220 H H3 . ALA A 1 1 ? -26.536 8.955 8.818 1.00 0.00 ? 1 ALA A H3 35 ATOM 48221 H HA . ALA A 1 1 ? -27.349 10.176 7.127 1.00 0.00 ? 1 ALA A HA 35 ATOM 48222 H HB1 . ALA A 1 1 ? -24.486 9.725 7.145 1.00 0.00 ? 1 ALA A HB1 35 ATOM 48223 H HB2 . ALA A 1 1 ? -25.058 10.300 5.579 1.00 0.00 ? 1 ALA A HB2 35 ATOM 48224 H HB3 . ALA A 1 1 ? -25.392 11.234 7.038 1.00 0.00 ? 1 ALA A HB3 35 ATOM 48225 N N . LEU A 1 2 ? -26.690 7.530 5.378 1.00 0.00 ? 2 LEU A N 35 ATOM 48226 C CA . LEU A 1 2 ? -27.040 6.784 4.175 1.00 0.00 ? 2 LEU A CA 35 ATOM 48227 C C . LEU A 1 2 ? -27.303 5.318 4.501 1.00 0.00 ? 2 LEU A C 35 ATOM 48228 O O . LEU A 1 2 ? -27.454 4.948 5.665 1.00 0.00 ? 2 LEU A O 35 ATOM 48229 C CB . LEU A 1 2 ? -25.920 6.896 3.138 1.00 0.00 ? 2 LEU A CB 35 ATOM 48230 C CG . LEU A 1 2 ? -25.220 8.255 3.085 1.00 0.00 ? 2 LEU A CG 35 ATOM 48231 C CD1 . LEU A 1 2 ? -24.111 8.326 4.123 1.00 0.00 ? 2 LEU A CD1 35 ATOM 48232 C CD2 . LEU A 1 2 ? -24.665 8.512 1.692 1.00 0.00 ? 2 LEU A CD2 35 ATOM 48233 H H . LEU A 1 2 ? -26.209 7.075 6.100 1.00 0.00 ? 2 LEU A H 35 ATOM 48234 H HA . LEU A 1 2 ? -27.940 7.217 3.766 1.00 0.00 ? 2 LEU A HA 35 ATOM 48235 H HB2 . LEU A 1 2 ? -25.179 6.140 3.357 1.00 0.00 ? 2 LEU A HB2 35 ATOM 48236 H HB3 . LEU A 1 2 ? -26.339 6.693 2.164 1.00 0.00 ? 2 LEU A HB3 35 ATOM 48237 H HG . LEU A 1 2 ? -25.938 9.031 3.309 1.00 0.00 ? 2 LEU A HG 35 ATOM 48238 H HD11 . LEU A 1 2 ? -23.432 7.498 3.982 1.00 0.00 ? 2 LEU A HD11 35 ATOM 48239 H HD12 . LEU A 1 2 ? -23.573 9.256 4.012 1.00 0.00 ? 2 LEU A HD12 35 ATOM 48240 H HD13 . LEU A 1 2 ? -24.541 8.274 5.113 1.00 0.00 ? 2 LEU A HD13 35 ATOM 48241 H HD21 . LEU A 1 2 ? -24.330 7.580 1.260 1.00 0.00 ? 2 LEU A HD21 35 ATOM 48242 H HD22 . LEU A 1 2 ? -25.437 8.941 1.069 1.00 0.00 ? 2 LEU A HD22 35 ATOM 48243 H HD23 . LEU A 1 2 ? -23.833 9.198 1.756 1.00 0.00 ? 2 LEU A HD23 35 ATOM 48244 N N . LYS A 1 3 ? -27.358 4.487 3.465 1.00 0.00 ? 3 LYS A N 35 ATOM 48245 C CA . LYS A 1 3 ? -27.603 3.060 3.641 1.00 0.00 ? 3 LYS A CA 35 ATOM 48246 C C . LYS A 1 3 ? -26.662 2.471 4.687 1.00 0.00 ? 3 LYS A C 35 ATOM 48247 O O . LYS A 1 3 ? -25.491 2.844 4.764 1.00 0.00 ? 3 LYS A O 35 ATOM 48248 C CB . LYS A 1 3 ? -27.431 2.324 2.311 1.00 0.00 ? 3 LYS A CB 35 ATOM 48249 C CG . LYS A 1 3 ? -28.452 2.724 1.258 1.00 0.00 ? 3 LYS A CG 35 ATOM 48250 C CD . LYS A 1 3 ? -27.912 2.518 -0.148 1.00 0.00 ? 3 LYS A CD 35 ATOM 48251 C CE . LYS A 1 3 ? -26.932 3.615 -0.534 1.00 0.00 ? 3 LYS A CE 35 ATOM 48252 N NZ . LYS A 1 3 ? -27.559 4.964 -0.476 1.00 0.00 ? 3 LYS A NZ 35 ATOM 48253 H H . LYS A 1 3 ? -27.230 4.842 2.560 1.00 0.00 ? 3 LYS A H 35 ATOM 48254 H HA . LYS A 1 3 ? -28.620 2.938 3.980 1.00 0.00 ? 3 LYS A HA 35 ATOM 48255 H HB2 . LYS A 1 3 ? -26.445 2.533 1.922 1.00 0.00 ? 3 LYS A HB2 35 ATOM 48256 H HB3 . LYS A 1 3 ? -27.522 1.263 2.486 1.00 0.00 ? 3 LYS A HB3 35 ATOM 48257 H HG2 . LYS A 1 3 ? -29.338 2.121 1.384 1.00 0.00 ? 3 LYS A HG2 35 ATOM 48258 H HG3 . LYS A 1 3 ? -28.701 3.767 1.390 1.00 0.00 ? 3 LYS A HG3 35 ATOM 48259 H HD2 . LYS A 1 3 ? -27.405 1.565 -0.193 1.00 0.00 ? 3 LYS A HD2 35 ATOM 48260 H HD3 . LYS A 1 3 ? -28.738 2.523 -0.844 1.00 0.00 ? 3 LYS A HD3 35 ATOM 48261 H HE2 . LYS A 1 3 ? -26.094 3.587 0.146 1.00 0.00 ? 3 LYS A HE2 35 ATOM 48262 H HE3 . LYS A 1 3 ? -26.585 3.431 -1.540 1.00 0.00 ? 3 LYS A HE3 35 ATOM 48263 H HZ1 . LYS A 1 3 ? -28.590 4.886 -0.588 1.00 0.00 ? 3 LYS A HZ1 35 ATOM 48264 H HZ2 . LYS A 1 3 ? -27.354 5.414 0.439 1.00 0.00 ? 3 LYS A HZ2 35 ATOM 48265 H HZ3 . LYS A 1 3 ? -27.183 5.565 -1.238 1.00 0.00 ? 3 LYS A HZ3 35 ATOM 48266 N N . LYS A 1 4 ? -27.182 1.549 5.491 1.00 0.00 ? 4 LYS A N 35 ATOM 48267 C CA . LYS A 1 4 ? -26.388 0.908 6.532 1.00 0.00 ? 4 LYS A CA 35 ATOM 48268 C C . LYS A 1 4 ? -25.744 -0.374 6.016 1.00 0.00 ? 4 LYS A C 35 ATOM 48269 O O . LYS A 1 4 ? -24.714 -0.813 6.528 1.00 0.00 ? 4 LYS A O 35 ATOM 48270 C CB . LYS A 1 4 ? -27.259 0.601 7.752 1.00 0.00 ? 4 LYS A CB 35 ATOM 48271 C CG . LYS A 1 4 ? -27.781 1.844 8.455 1.00 0.00 ? 4 LYS A CG 35 ATOM 48272 C CD . LYS A 1 4 ? -26.690 2.525 9.266 1.00 0.00 ? 4 LYS A CD 35 ATOM 48273 C CE . LYS A 1 4 ? -26.276 3.848 8.642 1.00 0.00 ? 4 LYS A CE 35 ATOM 48274 N NZ . LYS A 1 4 ? -27.099 4.981 9.148 1.00 0.00 ? 4 LYS A NZ 35 ATOM 48275 H H . LYS A 1 4 ? -28.122 1.293 5.381 1.00 0.00 ? 4 LYS A H 35 ATOM 48276 H HA . LYS A 1 4 ? -25.607 1.596 6.822 1.00 0.00 ? 4 LYS A HA 35 ATOM 48277 H HB2 . LYS A 1 4 ? -28.105 0.010 7.436 1.00 0.00 ? 4 LYS A HB2 35 ATOM 48278 H HB3 . LYS A 1 4 ? -26.677 0.030 8.461 1.00 0.00 ? 4 LYS A HB3 35 ATOM 48279 H HG2 . LYS A 1 4 ? -28.150 2.537 7.714 1.00 0.00 ? 4 LYS A HG2 35 ATOM 48280 H HG3 . LYS A 1 4 ? -28.586 1.559 9.117 1.00 0.00 ? 4 LYS A HG3 35 ATOM 48281 H HD2 . LYS A 1 4 ? -27.059 2.708 10.264 1.00 0.00 ? 4 LYS A HD2 35 ATOM 48282 H HD3 . LYS A 1 4 ? -25.829 1.873 9.312 1.00 0.00 ? 4 LYS A HD3 35 ATOM 48283 H HE2 . LYS A 1 4 ? -25.239 4.034 8.879 1.00 0.00 ? 4 LYS A HE2 35 ATOM 48284 H HE3 . LYS A 1 4 ? -26.393 3.778 7.570 1.00 0.00 ? 4 LYS A HE3 35 ATOM 48285 H HZ1 . LYS A 1 4 ? -28.021 4.633 9.479 1.00 0.00 ? 4 LYS A HZ1 35 ATOM 48286 H HZ2 . LYS A 1 4 ? -26.612 5.452 9.937 1.00 0.00 ? 4 LYS A HZ2 35 ATOM 48287 H HZ3 . LYS A 1 4 ? -27.256 5.675 8.389 1.00 0.00 ? 4 LYS A HZ3 35 ATOM 48288 N N . HIS A 1 5 ? -26.355 -0.970 4.998 1.00 0.00 ? 5 HIS A N 35 ATOM 48289 C CA . HIS A 1 5 ? -25.835 -2.199 4.411 1.00 0.00 ? 5 HIS A CA 35 ATOM 48290 C C . HIS A 1 5 ? -24.669 -1.898 3.477 1.00 0.00 ? 5 HIS A C 35 ATOM 48291 O O . HIS A 1 5 ? -23.685 -2.637 3.436 1.00 0.00 ? 5 HIS A O 35 ATOM 48292 C CB . HIS A 1 5 ? -26.940 -2.936 3.651 1.00 0.00 ? 5 HIS A CB 35 ATOM 48293 C CG . HIS A 1 5 ? -27.773 -2.041 2.787 1.00 0.00 ? 5 HIS A CG 35 ATOM 48294 N ND1 . HIS A 1 5 ? -29.107 -1.787 3.031 1.00 0.00 ? 5 HIS A ND1 35 ATOM 48295 C CD2 . HIS A 1 5 ? -27.456 -1.338 1.674 1.00 0.00 ? 5 HIS A CD2 35 ATOM 48296 C CE1 . HIS A 1 5 ? -29.574 -0.968 2.106 1.00 0.00 ? 5 HIS A CE1 35 ATOM 48297 N NE2 . HIS A 1 5 ? -28.593 -0.680 1.272 1.00 0.00 ? 5 HIS A NE2 35 ATOM 48298 H H . HIS A 1 5 ? -27.172 -0.572 4.631 1.00 0.00 ? 5 HIS A H 35 ATOM 48299 H HA . HIS A 1 5 ? -25.484 -2.827 5.216 1.00 0.00 ? 5 HIS A HA 35 ATOM 48300 H HB2 . HIS A 1 5 ? -26.491 -3.686 3.016 1.00 0.00 ? 5 HIS A HB2 35 ATOM 48301 H HB3 . HIS A 1 5 ? -27.596 -3.419 4.361 1.00 0.00 ? 5 HIS A HB3 35 ATOM 48302 H HD1 . HIS A 1 5 ? -29.633 -2.154 3.772 1.00 0.00 ? 5 HIS A HD1 35 ATOM 48303 H HD2 . HIS A 1 5 ? -26.490 -1.300 1.193 1.00 0.00 ? 5 HIS A HD2 35 ATOM 48304 H HE1 . HIS A 1 5 ? -30.586 -0.595 2.044 1.00 0.00 ? 5 HIS A HE1 35 ATOM 48305 H HE2 . HIS A 1 5 ? -28.667 -0.091 0.492 1.00 0.00 ? 5 HIS A HE2 35 ATOM 48306 N N . HIS A 1 6 ? -24.786 -0.805 2.730 1.00 0.00 ? 6 HIS A N 35 ATOM 48307 C CA . HIS A 1 6 ? -23.742 -0.402 1.798 1.00 0.00 ? 6 HIS A CA 35 ATOM 48308 C C . HIS A 1 6 ? -22.528 0.137 2.543 1.00 0.00 ? 6 HIS A C 35 ATOM 48309 O O . HIS A 1 6 ? -21.389 -0.083 2.133 1.00 0.00 ? 6 HIS A O 35 ATOM 48310 C CB . HIS A 1 6 ? -24.273 0.656 0.828 1.00 0.00 ? 6 HIS A CB 35 ATOM 48311 C CG . HIS A 1 6 ? -24.679 0.099 -0.502 1.00 0.00 ? 6 HIS A CG 35 ATOM 48312 N ND1 . HIS A 1 6 ? -25.022 -1.223 -0.691 1.00 0.00 ? 6 HIS A ND1 35 ATOM 48313 C CD2 . HIS A 1 6 ? -24.796 0.694 -1.713 1.00 0.00 ? 6 HIS A CD2 35 ATOM 48314 C CE1 . HIS A 1 6 ? -25.332 -1.418 -1.961 1.00 0.00 ? 6 HIS A CE1 35 ATOM 48315 N NE2 . HIS A 1 6 ? -25.203 -0.271 -2.601 1.00 0.00 ? 6 HIS A NE2 35 ATOM 48316 H H . HIS A 1 6 ? -25.594 -0.256 2.811 1.00 0.00 ? 6 HIS A H 35 ATOM 48317 H HA . HIS A 1 6 ? -23.444 -1.275 1.237 1.00 0.00 ? 6 HIS A HA 35 ATOM 48318 H HB2 . HIS A 1 6 ? -25.138 1.133 1.266 1.00 0.00 ? 6 HIS A HB2 35 ATOM 48319 H HB3 . HIS A 1 6 ? -23.506 1.397 0.659 1.00 0.00 ? 6 HIS A HB3 35 ATOM 48320 H HD1 . HIS A 1 6 ? -25.037 -1.916 0.002 1.00 0.00 ? 6 HIS A HD1 35 ATOM 48321 H HD2 . HIS A 1 6 ? -24.604 1.734 -1.938 1.00 0.00 ? 6 HIS A HD2 35 ATOM 48322 H HE1 . HIS A 1 6 ? -25.639 -2.356 -2.399 1.00 0.00 ? 6 HIS A HE1 35 ATOM 48323 H HE2 . HIS A 1 6 ? -25.372 -0.133 -3.556 1.00 0.00 ? 6 HIS A HE2 35 ATOM 48324 N N . GLU A 1 7 ? -22.776 0.841 3.643 1.00 0.00 ? 7 GLU A N 35 ATOM 48325 C CA . GLU A 1 7 ? -21.696 1.403 4.444 1.00 0.00 ? 7 GLU A CA 35 ATOM 48326 C C . GLU A 1 7 ? -20.923 0.295 5.147 1.00 0.00 ? 7 GLU A C 35 ATOM 48327 O O . GLU A 1 7 ? -19.704 0.375 5.303 1.00 0.00 ? 7 GLU A O 35 ATOM 48328 C CB . GLU A 1 7 ? -22.249 2.393 5.470 1.00 0.00 ? 7 GLU A CB 35 ATOM 48329 C CG . GLU A 1 7 ? -23.011 1.731 6.606 1.00 0.00 ? 7 GLU A CG 35 ATOM 48330 C CD . GLU A 1 7 ? -23.589 2.735 7.583 1.00 0.00 ? 7 GLU A CD 35 ATOM 48331 O OE1 . GLU A 1 7 ? -23.861 3.881 7.166 1.00 0.00 ? 7 GLU A OE1 35 ATOM 48332 O OE2 . GLU A 1 7 ? -23.769 2.377 8.766 1.00 0.00 ? 7 GLU A OE2 35 ATOM 48333 H H . GLU A 1 7 ? -23.705 0.981 3.925 1.00 0.00 ? 7 GLU A H 35 ATOM 48334 H HA . GLU A 1 7 ? -21.026 1.923 3.776 1.00 0.00 ? 7 GLU A HA 35 ATOM 48335 H HB2 . GLU A 1 7 ? -21.427 2.950 5.894 1.00 0.00 ? 7 GLU A HB2 35 ATOM 48336 H HB3 . GLU A 1 7 ? -22.916 3.078 4.968 1.00 0.00 ? 7 GLU A HB3 35 ATOM 48337 H HG2 . GLU A 1 7 ? -23.820 1.152 6.188 1.00 0.00 ? 7 GLU A HG2 35 ATOM 48338 H HG3 . GLU A 1 7 ? -22.339 1.076 7.140 1.00 0.00 ? 7 GLU A HG3 35 ATOM 48339 N N . ASN A 1 8 ? -21.639 -0.745 5.561 1.00 0.00 ? 8 ASN A N 35 ATOM 48340 C CA . ASN A 1 8 ? -21.018 -1.877 6.239 1.00 0.00 ? 8 ASN A CA 35 ATOM 48341 C C . ASN A 1 8 ? -20.052 -2.588 5.299 1.00 0.00 ? 8 ASN A C 35 ATOM 48342 O O . ASN A 1 8 ? -18.926 -2.917 5.678 1.00 0.00 ? 8 ASN A O 35 ATOM 48343 C CB . ASN A 1 8 ? -22.087 -2.854 6.732 1.00 0.00 ? 8 ASN A CB 35 ATOM 48344 C CG . ASN A 1 8 ? -21.511 -3.937 7.624 1.00 0.00 ? 8 ASN A CG 35 ATOM 48345 O OD1 . ASN A 1 8 ? -20.435 -3.777 8.200 1.00 0.00 ? 8 ASN A OD1 35 ATOM 48346 N ND2 . ASN A 1 8 ? -22.228 -5.048 7.743 1.00 0.00 ? 8 ASN A ND2 35 ATOM 48347 H H . ASN A 1 8 ? -22.605 -0.755 5.401 1.00 0.00 ? 8 ASN A H 35 ATOM 48348 H HA . ASN A 1 8 ? -20.468 -1.497 7.086 1.00 0.00 ? 8 ASN A HA 35 ATOM 48349 H HB2 . ASN A 1 8 ? -22.832 -2.310 7.292 1.00 0.00 ? 8 ASN A HB2 35 ATOM 48350 H HB3 . ASN A 1 8 ? -22.555 -3.325 5.881 1.00 0.00 ? 8 ASN A HB3 35 ATOM 48351 H HD21 . ASN A 1 8 ? -23.077 -5.106 7.256 1.00 0.00 ? 8 ASN A HD21 35 ATOM 48352 H HD22 . ASN A 1 8 ? -21.881 -5.765 8.314 1.00 0.00 ? 8 ASN A HD22 35 ATOM 48353 N N . GLU A 1 9 ? -20.498 -2.816 4.067 1.00 0.00 ? 9 GLU A N 35 ATOM 48354 C CA . GLU A 1 9 ? -19.666 -3.478 3.073 1.00 0.00 ? 9 GLU A CA 35 ATOM 48355 C C . GLU A 1 9 ? -18.395 -2.680 2.833 1.00 0.00 ? 9 GLU A C 35 ATOM 48356 O O . GLU A 1 9 ? -17.292 -3.223 2.899 1.00 0.00 ? 9 GLU A O 35 ATOM 48357 C CB . GLU A 1 9 ? -20.434 -3.657 1.762 1.00 0.00 ? 9 GLU A CB 35 ATOM 48358 C CG . GLU A 1 9 ? -19.646 -4.395 0.692 1.00 0.00 ? 9 GLU A CG 35 ATOM 48359 C CD . GLU A 1 9 ? -20.287 -5.713 0.301 1.00 0.00 ? 9 GLU A CD 35 ATOM 48360 O OE1 . GLU A 1 9 ? -21.357 -5.685 -0.343 1.00 0.00 ? 9 GLU A OE1 35 ATOM 48361 O OE2 . GLU A 1 9 ? -19.718 -6.772 0.638 1.00 0.00 ? 9 GLU A OE2 35 ATOM 48362 H H . GLU A 1 9 ? -21.402 -2.524 3.820 1.00 0.00 ? 9 GLU A H 35 ATOM 48363 H HA . GLU A 1 9 ? -19.394 -4.448 3.461 1.00 0.00 ? 9 GLU A HA 35 ATOM 48364 H HB2 . GLU A 1 9 ? -21.339 -4.213 1.960 1.00 0.00 ? 9 GLU A HB2 35 ATOM 48365 H HB3 . GLU A 1 9 ? -20.698 -2.683 1.377 1.00 0.00 ? 9 GLU A HB3 35 ATOM 48366 H HG2 . GLU A 1 9 ? -19.582 -3.770 -0.186 1.00 0.00 ? 9 GLU A HG2 35 ATOM 48367 H HG3 . GLU A 1 9 ? -18.652 -4.592 1.066 1.00 0.00 ? 9 GLU A HG3 35 ATOM 48368 N N . ILE A 1 10 ? -18.546 -1.385 2.574 1.00 0.00 ? 10 ILE A N 35 ATOM 48369 C CA . ILE A 1 10 ? -17.391 -0.534 2.352 1.00 0.00 ? 10 ILE A CA 35 ATOM 48370 C C . ILE A 1 10 ? -16.614 -0.333 3.650 1.00 0.00 ? 10 ILE A C 35 ATOM 48371 O O . ILE A 1 10 ? -15.487 0.146 3.640 1.00 0.00 ? 10 ILE A O 35 ATOM 48372 C CB . ILE A 1 10 ? -17.780 0.829 1.751 1.00 0.00 ? 10 ILE A CB 35 ATOM 48373 C CG1 . ILE A 1 10 ? -18.645 1.633 2.719 1.00 0.00 ? 10 ILE A CG1 35 ATOM 48374 C CG2 . ILE A 1 10 ? -18.510 0.624 0.435 1.00 0.00 ? 10 ILE A CG2 35 ATOM 48375 C CD1 . ILE A 1 10 ? -19.197 2.903 2.106 1.00 0.00 ? 10 ILE A CD1 35 ATOM 48376 H H . ILE A 1 10 ? -19.447 -0.997 2.547 1.00 0.00 ? 10 ILE A H 35 ATOM 48377 H HA . ILE A 1 10 ? -16.748 -1.039 1.645 1.00 0.00 ? 10 ILE A HA 35 ATOM 48378 H HB . ILE A 1 10 ? -16.874 1.378 1.547 1.00 0.00 ? 10 ILE A HB 35 ATOM 48379 H HG12 . ILE A 1 10 ? -19.478 1.026 3.037 1.00 0.00 ? 10 ILE A HG12 35 ATOM 48380 H HG13 . ILE A 1 10 ? -18.053 1.907 3.580 1.00 0.00 ? 10 ILE A HG13 35 ATOM 48381 H HG21 . ILE A 1 10 ? -18.081 -0.218 -0.088 1.00 0.00 ? 10 ILE A HG21 35 ATOM 48382 H HG22 . ILE A 1 10 ? -19.555 0.434 0.629 1.00 0.00 ? 10 ILE A HG22 35 ATOM 48383 H HG23 . ILE A 1 10 ? -18.413 1.512 -0.172 1.00 0.00 ? 10 ILE A HG23 35 ATOM 48384 H HD11 . ILE A 1 10 ? -18.928 2.942 1.058 1.00 0.00 ? 10 ILE A HD11 35 ATOM 48385 H HD12 . ILE A 1 10 ? -20.272 2.912 2.202 1.00 0.00 ? 10 ILE A HD12 35 ATOM 48386 H HD13 . ILE A 1 10 ? -18.782 3.759 2.616 1.00 0.00 ? 10 ILE A HD13 35 ATOM 48387 N N . SER A 1 11 ? -17.203 -0.731 4.772 1.00 0.00 ? 11 SER A N 35 ATOM 48388 C CA . SER A 1 11 ? -16.518 -0.615 6.047 1.00 0.00 ? 11 SER A CA 35 ATOM 48389 C C . SER A 1 11 ? -15.419 -1.664 6.110 1.00 0.00 ? 11 SER A C 35 ATOM 48390 O O . SER A 1 11 ? -14.313 -1.405 6.594 1.00 0.00 ? 11 SER A O 35 ATOM 48391 C CB . SER A 1 11 ? -17.498 -0.798 7.208 1.00 0.00 ? 11 SER A CB 35 ATOM 48392 O OG . SER A 1 11 ? -17.648 0.405 7.943 1.00 0.00 ? 11 SER A OG 35 ATOM 48393 H H . SER A 1 11 ? -18.094 -1.130 4.741 1.00 0.00 ? 11 SER A H 35 ATOM 48394 H HA . SER A 1 11 ? -16.071 0.367 6.101 1.00 0.00 ? 11 SER A HA 35 ATOM 48395 H HB2 . SER A 1 11 ? -18.463 -1.090 6.820 1.00 0.00 ? 11 SER A HB2 35 ATOM 48396 H HB3 . SER A 1 11 ? -17.129 -1.567 7.870 1.00 0.00 ? 11 SER A HB3 35 ATOM 48397 H HG . SER A 1 11 ? -17.165 0.338 8.770 1.00 0.00 ? 11 SER A HG 35 ATOM 48398 N N . HIS A 1 12 ? -15.727 -2.849 5.586 1.00 0.00 ? 12 HIS A N 35 ATOM 48399 C CA . HIS A 1 12 ? -14.764 -3.937 5.554 1.00 0.00 ? 12 HIS A CA 35 ATOM 48400 C C . HIS A 1 12 ? -13.696 -3.651 4.491 1.00 0.00 ? 12 HIS A C 35 ATOM 48401 O O . HIS A 1 12 ? -12.507 -3.879 4.719 1.00 0.00 ? 12 HIS A O 35 ATOM 48402 C CB . HIS A 1 12 ? -15.502 -5.275 5.314 1.00 0.00 ? 12 HIS A CB 35 ATOM 48403 C CG . HIS A 1 12 ? -14.865 -6.204 4.319 1.00 0.00 ? 12 HIS A CG 35 ATOM 48404 N ND1 . HIS A 1 12 ? -13.891 -7.120 4.654 1.00 0.00 ? 12 HIS A ND1 35 ATOM 48405 C CD2 . HIS A 1 12 ? -15.077 -6.349 2.992 1.00 0.00 ? 12 HIS A CD2 35 ATOM 48406 C CE1 . HIS A 1 12 ? -13.530 -7.789 3.574 1.00 0.00 ? 12 HIS A CE1 35 ATOM 48407 N NE2 . HIS A 1 12 ? -14.236 -7.340 2.553 1.00 0.00 ? 12 HIS A NE2 35 ATOM 48408 H H . HIS A 1 12 ? -16.622 -2.988 5.194 1.00 0.00 ? 12 HIS A H 35 ATOM 48409 H HA . HIS A 1 12 ? -14.283 -3.972 6.521 1.00 0.00 ? 12 HIS A HA 35 ATOM 48410 H HB2 . HIS A 1 12 ? -15.568 -5.805 6.251 1.00 0.00 ? 12 HIS A HB2 35 ATOM 48411 H HB3 . HIS A 1 12 ? -16.502 -5.058 4.967 1.00 0.00 ? 12 HIS A HB3 35 ATOM 48412 H HD1 . HIS A 1 12 ? -13.518 -7.259 5.551 1.00 0.00 ? 12 HIS A HD1 35 ATOM 48413 H HD2 . HIS A 1 12 ? -15.779 -5.787 2.393 1.00 0.00 ? 12 HIS A HD2 35 ATOM 48414 H HE1 . HIS A 1 12 ? -12.784 -8.570 3.533 1.00 0.00 ? 12 HIS A HE1 35 ATOM 48415 H HE2 . HIS A 1 12 ? -14.168 -7.665 1.631 1.00 0.00 ? 12 HIS A HE2 35 ATOM 48416 N N . HIS A 1 13 ? -14.123 -3.136 3.337 1.00 0.00 ? 13 HIS A N 35 ATOM 48417 C CA . HIS A 1 13 ? -13.189 -2.812 2.266 1.00 0.00 ? 13 HIS A CA 35 ATOM 48418 C C . HIS A 1 13 ? -12.212 -1.741 2.720 1.00 0.00 ? 13 HIS A C 35 ATOM 48419 O O . HIS A 1 13 ? -11.062 -1.722 2.293 1.00 0.00 ? 13 HIS A O 35 ATOM 48420 C CB . HIS A 1 13 ? -13.921 -2.310 1.024 1.00 0.00 ? 13 HIS A CB 35 ATOM 48421 C CG . HIS A 1 13 ? -14.954 -3.243 0.493 1.00 0.00 ? 13 HIS A CG 35 ATOM 48422 N ND1 . HIS A 1 13 ? -14.895 -4.613 0.636 1.00 0.00 ? 13 HIS A ND1 35 ATOM 48423 C CD2 . HIS A 1 13 ? -16.081 -2.983 -0.197 1.00 0.00 ? 13 HIS A CD2 35 ATOM 48424 C CE1 . HIS A 1 13 ? -15.949 -5.157 0.052 1.00 0.00 ? 13 HIS A CE1 35 ATOM 48425 N NE2 . HIS A 1 13 ? -16.685 -4.188 -0.462 1.00 0.00 ? 13 HIS A NE2 35 ATOM 48426 H H . HIS A 1 13 ? -15.081 -2.963 3.209 1.00 0.00 ? 13 HIS A H 35 ATOM 48427 H HA . HIS A 1 13 ? -12.641 -3.707 2.016 1.00 0.00 ? 13 HIS A HA 35 ATOM 48428 H HB2 . HIS A 1 13 ? -14.415 -1.382 1.262 1.00 0.00 ? 13 HIS A HB2 35 ATOM 48429 H HB3 . HIS A 1 13 ? -13.199 -2.133 0.241 1.00 0.00 ? 13 HIS A HB3 35 ATOM 48430 H HD1 . HIS A 1 13 ? -14.187 -5.112 1.095 1.00 0.00 ? 13 HIS A HD1 35 ATOM 48431 H HD2 . HIS A 1 13 ? -16.433 -2.005 -0.489 1.00 0.00 ? 13 HIS A HD2 35 ATOM 48432 H HE1 . HIS A 1 13 ? -16.171 -6.213 0.003 1.00 0.00 ? 13 HIS A HE1 35 ATOM 48433 H HE2 . HIS A 1 13 ? -17.524 -4.311 -0.951 1.00 0.00 ? 13 HIS A HE2 35 ATOM 48434 N N . ALA A 1 14 ? -12.678 -0.846 3.587 1.00 0.00 ? 14 ALA A N 35 ATOM 48435 C CA . ALA A 1 14 ? -11.837 0.228 4.095 1.00 0.00 ? 14 ALA A CA 35 ATOM 48436 C C . ALA A 1 14 ? -10.705 -0.346 4.932 1.00 0.00 ? 14 ALA A C 35 ATOM 48437 O O . ALA A 1 14 ? -9.532 -0.084 4.670 1.00 0.00 ? 14 ALA A O 35 ATOM 48438 C CB . ALA A 1 14 ? -12.662 1.211 4.912 1.00 0.00 ? 14 ALA A CB 35 ATOM 48439 H H . ALA A 1 14 ? -13.608 -0.911 3.892 1.00 0.00 ? 14 ALA A H 35 ATOM 48440 H HA . ALA A 1 14 ? -11.416 0.754 3.249 1.00 0.00 ? 14 ALA A HA 35 ATOM 48441 H HB1 . ALA A 1 14 ? -13.265 0.670 5.625 1.00 0.00 ? 14 ALA A HB1 35 ATOM 48442 H HB2 . ALA A 1 14 ? -12.002 1.885 5.438 1.00 0.00 ? 14 ALA A HB2 35 ATOM 48443 H HB3 . ALA A 1 14 ? -13.304 1.777 4.252 1.00 0.00 ? 14 ALA A HB3 35 ATOM 48444 N N . LYS A 1 15 ? -11.064 -1.147 5.927 1.00 0.00 ? 15 LYS A N 35 ATOM 48445 C CA . LYS A 1 15 ? -10.067 -1.774 6.783 1.00 0.00 ? 15 LYS A CA 35 ATOM 48446 C C . LYS A 1 15 ? -9.123 -2.641 5.951 1.00 0.00 ? 15 LYS A C 35 ATOM 48447 O O . LYS A 1 15 ? -8.007 -2.941 6.373 1.00 0.00 ? 15 LYS A O 35 ATOM 48448 C CB . LYS A 1 15 ? -10.745 -2.621 7.861 1.00 0.00 ? 15 LYS A CB 35 ATOM 48449 C CG . LYS A 1 15 ? -10.782 -1.954 9.226 1.00 0.00 ? 15 LYS A CG 35 ATOM 48450 C CD . LYS A 1 15 ? -10.701 -2.977 10.348 1.00 0.00 ? 15 LYS A CD 35 ATOM 48451 C CE . LYS A 1 15 ? -12.033 -3.676 10.561 1.00 0.00 ? 15 LYS A CE 35 ATOM 48452 N NZ . LYS A 1 15 ? -12.519 -3.531 11.960 1.00 0.00 ? 15 LYS A NZ 35 ATOM 48453 H H . LYS A 1 15 ? -12.017 -1.332 6.081 1.00 0.00 ? 15 LYS A H 35 ATOM 48454 H HA . LYS A 1 15 ? -9.495 -0.989 7.256 1.00 0.00 ? 15 LYS A HA 35 ATOM 48455 H HB2 . LYS A 1 15 ? -11.761 -2.825 7.556 1.00 0.00 ? 15 LYS A HB2 35 ATOM 48456 H HB3 . LYS A 1 15 ? -10.212 -3.556 7.955 1.00 0.00 ? 15 LYS A HB3 35 ATOM 48457 H HG2 . LYS A 1 15 ? -9.944 -1.278 9.308 1.00 0.00 ? 15 LYS A HG2 35 ATOM 48458 H HG3 . LYS A 1 15 ? -11.705 -1.401 9.320 1.00 0.00 ? 15 LYS A HG3 35 ATOM 48459 H HD2 . LYS A 1 15 ? -9.954 -3.715 10.096 1.00 0.00 ? 15 LYS A HD2 35 ATOM 48460 H HD3 . LYS A 1 15 ? -10.418 -2.473 11.260 1.00 0.00 ? 15 LYS A HD3 35 ATOM 48461 H HE2 . LYS A 1 15 ? -12.762 -3.247 9.890 1.00 0.00 ? 15 LYS A HE2 35 ATOM 48462 H HE3 . LYS A 1 15 ? -11.913 -4.726 10.336 1.00 0.00 ? 15 LYS A HE3 35 ATOM 48463 H HZ1 . LYS A 1 15 ? -11.913 -2.866 12.483 1.00 0.00 ? 15 LYS A HZ1 35 ATOM 48464 H HZ2 . LYS A 1 15 ? -13.495 -3.170 11.965 1.00 0.00 ? 15 LYS A HZ2 35 ATOM 48465 H HZ3 . LYS A 1 15 ? -12.500 -4.453 12.443 1.00 0.00 ? 15 LYS A HZ3 35 ATOM 48466 N N . GLU A 1 16 ? -9.583 -3.040 4.764 1.00 0.00 ? 16 GLU A N 35 ATOM 48467 C CA . GLU A 1 16 ? -8.785 -3.872 3.872 1.00 0.00 ? 16 GLU A CA 35 ATOM 48468 C C . GLU A 1 16 ? -7.711 -3.052 3.160 1.00 0.00 ? 16 GLU A C 35 ATOM 48469 O O . GLU A 1 16 ? -6.570 -3.494 3.033 1.00 0.00 ? 16 GLU A O 35 ATOM 48470 C CB . GLU A 1 16 ? -9.684 -4.557 2.842 1.00 0.00 ? 16 GLU A CB 35 ATOM 48471 C CG . GLU A 1 16 ? -9.452 -6.055 2.732 1.00 0.00 ? 16 GLU A CG 35 ATOM 48472 C CD . GLU A 1 16 ? -10.691 -6.863 3.065 1.00 0.00 ? 16 GLU A CD 35 ATOM 48473 O OE1 . GLU A 1 16 ? -11.076 -6.899 4.253 1.00 0.00 ? 16 GLU A OE1 35 ATOM 48474 O OE2 . GLU A 1 16 ? -11.278 -7.459 2.137 1.00 0.00 ? 16 GLU A OE2 35 ATOM 48475 H H . GLU A 1 16 ? -10.483 -2.772 4.483 1.00 0.00 ? 16 GLU A H 35 ATOM 48476 H HA . GLU A 1 16 ? -8.302 -4.629 4.472 1.00 0.00 ? 16 GLU A HA 35 ATOM 48477 H HB2 . GLU A 1 16 ? -10.716 -4.393 3.116 1.00 0.00 ? 16 GLU A HB2 35 ATOM 48478 H HB3 . GLU A 1 16 ? -9.504 -4.115 1.874 1.00 0.00 ? 16 GLU A HB3 35 ATOM 48479 H HG2 . GLU A 1 16 ? -9.151 -6.287 1.722 1.00 0.00 ? 16 GLU A HG2 35 ATOM 48480 H HG3 . GLU A 1 16 ? -8.664 -6.335 3.416 1.00 0.00 ? 16 GLU A HG3 35 ATOM 48481 N N . ILE A 1 17 ? -8.078 -1.860 2.691 1.00 0.00 ? 17 ILE A N 35 ATOM 48482 C CA . ILE A 1 17 ? -7.132 -0.998 1.992 1.00 0.00 ? 17 ILE A CA 35 ATOM 48483 C C . ILE A 1 17 ? -6.098 -0.425 2.961 1.00 0.00 ? 17 ILE A C 35 ATOM 48484 O O . ILE A 1 17 ? -4.967 -0.125 2.575 1.00 0.00 ? 17 ILE A O 35 ATOM 48485 C CB . ILE A 1 17 ? -7.866 0.142 1.238 1.00 0.00 ? 17 ILE A CB 35 ATOM 48486 C CG1 . ILE A 1 17 ? -8.213 1.312 2.169 1.00 0.00 ? 17 ILE A CG1 35 ATOM 48487 C CG2 . ILE A 1 17 ? -9.130 -0.396 0.590 1.00 0.00 ? 17 ILE A CG2 35 ATOM 48488 C CD1 . ILE A 1 17 ? -7.194 2.430 2.141 1.00 0.00 ? 17 ILE A CD1 35 ATOM 48489 H H . ILE A 1 17 ? -9.003 -1.553 2.815 1.00 0.00 ? 17 ILE A H 35 ATOM 48490 H HA . ILE A 1 17 ? -6.612 -1.603 1.260 1.00 0.00 ? 17 ILE A HA 35 ATOM 48491 H HB . ILE A 1 17 ? -7.218 0.494 0.449 1.00 0.00 ? 17 ILE A HB 35 ATOM 48492 H HG12 . ILE A 1 17 ? -9.166 1.727 1.877 1.00 0.00 ? 17 ILE A HG12 35 ATOM 48493 H HG13 . ILE A 1 17 ? -8.281 0.948 3.185 1.00 0.00 ? 17 ILE A HG13 35 ATOM 48494 H HG21 . ILE A 1 17 ? -9.160 -1.469 0.695 1.00 0.00 ? 17 ILE A HG21 35 ATOM 48495 H HG22 . ILE A 1 17 ? -9.994 0.038 1.070 1.00 0.00 ? 17 ILE A HG22 35 ATOM 48496 H HG23 . ILE A 1 17 ? -9.131 -0.137 -0.455 1.00 0.00 ? 17 ILE A HG23 35 ATOM 48497 H HD11 . ILE A 1 17 ? -6.911 2.634 1.119 1.00 0.00 ? 17 ILE A HD11 35 ATOM 48498 H HD12 . ILE A 1 17 ? -7.621 3.319 2.581 1.00 0.00 ? 17 ILE A HD12 35 ATOM 48499 H HD13 . ILE A 1 17 ? -6.320 2.134 2.704 1.00 0.00 ? 17 ILE A HD13 35 ATOM 48500 N N . GLU A 1 18 ? -6.494 -0.285 4.223 1.00 0.00 ? 18 GLU A N 35 ATOM 48501 C CA . GLU A 1 18 ? -5.603 0.241 5.248 1.00 0.00 ? 18 GLU A CA 35 ATOM 48502 C C . GLU A 1 18 ? -4.585 -0.815 5.658 1.00 0.00 ? 18 GLU A C 35 ATOM 48503 O O . GLU A 1 18 ? -3.414 -0.511 5.884 1.00 0.00 ? 18 GLU A O 35 ATOM 48504 C CB . GLU A 1 18 ? -6.404 0.700 6.468 1.00 0.00 ? 18 GLU A CB 35 ATOM 48505 C CG . GLU A 1 18 ? -5.536 1.108 7.647 1.00 0.00 ? 18 GLU A CG 35 ATOM 48506 C CD . GLU A 1 18 ? -5.165 -0.066 8.531 1.00 0.00 ? 18 GLU A CD 35 ATOM 48507 O OE1 . GLU A 1 18 ? -5.962 -0.412 9.427 1.00 0.00 ? 18 GLU A OE1 35 ATOM 48508 O OE2 . GLU A 1 18 ? -4.074 -0.640 8.327 1.00 0.00 ? 18 GLU A OE2 35 ATOM 48509 H H . GLU A 1 18 ? -7.405 -0.547 4.469 1.00 0.00 ? 18 GLU A H 35 ATOM 48510 H HA . GLU A 1 18 ? -5.078 1.088 4.831 1.00 0.00 ? 18 GLU A HA 35 ATOM 48511 H HB2 . GLU A 1 18 ? -7.014 1.545 6.186 1.00 0.00 ? 18 GLU A HB2 35 ATOM 48512 H HB3 . GLU A 1 18 ? -7.048 -0.107 6.784 1.00 0.00 ? 18 GLU A HB3 35 ATOM 48513 H HG2 . GLU A 1 18 ? -4.629 1.558 7.272 1.00 0.00 ? 18 GLU A HG2 35 ATOM 48514 H HG3 . GLU A 1 18 ? -6.077 1.830 8.241 1.00 0.00 ? 18 GLU A HG3 35 ATOM 48515 N N . ARG A 1 19 ? -5.040 -2.061 5.744 1.00 0.00 ? 19 ARG A N 35 ATOM 48516 C CA . ARG A 1 19 ? -4.169 -3.167 6.116 1.00 0.00 ? 19 ARG A CA 35 ATOM 48517 C C . ARG A 1 19 ? -3.106 -3.389 5.047 1.00 0.00 ? 19 ARG A C 35 ATOM 48518 O O . ARG A 1 19 ? -1.922 -3.546 5.354 1.00 0.00 ? 19 ARG A O 35 ATOM 48519 C CB . ARG A 1 19 ? -4.985 -4.446 6.316 1.00 0.00 ? 19 ARG A CB 35 ATOM 48520 C CG . ARG A 1 19 ? -4.135 -5.663 6.646 1.00 0.00 ? 19 ARG A CG 35 ATOM 48521 C CD . ARG A 1 19 ? -4.932 -6.951 6.518 1.00 0.00 ? 19 ARG A CD 35 ATOM 48522 N NE . ARG A 1 19 ? -4.340 -8.040 7.289 1.00 0.00 ? 19 ARG A NE 35 ATOM 48523 C CZ . ARG A 1 19 ? -3.310 -8.766 6.867 1.00 0.00 ? 19 ARG A CZ 35 ATOM 48524 N NH1 . ARG A 1 19 ? -2.763 -8.519 5.685 1.00 0.00 ? 19 ARG A NH1 35 ATOM 48525 N NH2 . ARG A 1 19 ? -2.827 -9.739 7.627 1.00 0.00 ? 19 ARG A NH2 35 ATOM 48526 H H . ARG A 1 19 ? -5.983 -2.242 5.545 1.00 0.00 ? 19 ARG A H 35 ATOM 48527 H HA . ARG A 1 19 ? -3.682 -2.910 7.045 1.00 0.00 ? 19 ARG A HA 35 ATOM 48528 H HB2 . ARG A 1 19 ? -5.683 -4.291 7.124 1.00 0.00 ? 19 ARG A HB2 35 ATOM 48529 H HB3 . ARG A 1 19 ? -5.536 -4.654 5.410 1.00 0.00 ? 19 ARG A HB3 35 ATOM 48530 H HG2 . ARG A 1 19 ? -3.298 -5.701 5.965 1.00 0.00 ? 19 ARG A HG2 35 ATOM 48531 H HG3 . ARG A 1 19 ? -3.773 -5.573 7.659 1.00 0.00 ? 19 ARG A HG3 35 ATOM 48532 H HD2 . ARG A 1 19 ? -5.936 -6.775 6.874 1.00 0.00 ? 19 ARG A HD2 35 ATOM 48533 H HD3 . ARG A 1 19 ? -4.966 -7.237 5.476 1.00 0.00 ? 19 ARG A HD3 35 ATOM 48534 H HE . ARG A 1 19 ? -4.730 -8.240 8.165 1.00 0.00 ? 19 ARG A HE 35 ATOM 48535 H HH11 . ARG A 1 19 ? -3.125 -7.786 5.109 1.00 0.00 ? 19 ARG A HH11 35 ATOM 48536 H HH12 . ARG A 1 19 ? -1.988 -9.066 5.369 1.00 0.00 ? 19 ARG A HH12 35 ATOM 48537 H HH21 . ARG A 1 19 ? -3.237 -9.928 8.518 1.00 0.00 ? 19 ARG A HH21 35 ATOM 48538 H HH22 . ARG A 1 19 ? -2.052 -10.285 7.307 1.00 0.00 ? 19 ARG A HH22 35 ATOM 48539 N N . LEU A 1 20 ? -3.532 -3.384 3.787 1.00 0.00 ? 20 LEU A N 35 ATOM 48540 C CA . LEU A 1 20 ? -2.610 -3.570 2.680 1.00 0.00 ? 20 LEU A CA 35 ATOM 48541 C C . LEU A 1 20 ? -1.580 -2.450 2.670 1.00 0.00 ? 20 LEU A C 35 ATOM 48542 O O . LEU A 1 20 ? -0.388 -2.690 2.485 1.00 0.00 ? 20 LEU A O 35 ATOM 48543 C CB . LEU A 1 20 ? -3.371 -3.603 1.353 1.00 0.00 ? 20 LEU A CB 35 ATOM 48544 C CG . LEU A 1 20 ? -3.006 -4.764 0.426 1.00 0.00 ? 20 LEU A CG 35 ATOM 48545 C CD1 . LEU A 1 20 ? -1.496 -4.923 0.338 1.00 0.00 ? 20 LEU A CD1 35 ATOM 48546 C CD2 . LEU A 1 20 ? -3.653 -6.053 0.909 1.00 0.00 ? 20 LEU A CD2 35 ATOM 48547 H H . LEU A 1 20 ? -4.484 -3.240 3.598 1.00 0.00 ? 20 LEU A H 35 ATOM 48548 H HA . LEU A 1 20 ? -2.102 -4.513 2.822 1.00 0.00 ? 20 LEU A HA 35 ATOM 48549 H HB2 . LEU A 1 20 ? -4.428 -3.661 1.570 1.00 0.00 ? 20 LEU A HB2 35 ATOM 48550 H HB3 . LEU A 1 20 ? -3.179 -2.680 0.829 1.00 0.00 ? 20 LEU A HB3 35 ATOM 48551 H HG . LEU A 1 20 ? -3.378 -4.553 -0.566 1.00 0.00 ? 20 LEU A HG 35 ATOM 48552 H HD11 . LEU A 1 20 ? -1.017 -4.047 0.749 1.00 0.00 ? 20 LEU A HD11 35 ATOM 48553 H HD12 . LEU A 1 20 ? -1.193 -5.795 0.897 1.00 0.00 ? 20 LEU A HD12 35 ATOM 48554 H HD13 . LEU A 1 20 ? -1.206 -5.039 -0.696 1.00 0.00 ? 20 LEU A HD13 35 ATOM 48555 H HD21 . LEU A 1 20 ? -3.678 -6.061 1.988 1.00 0.00 ? 20 LEU A HD21 35 ATOM 48556 H HD22 . LEU A 1 20 ? -4.660 -6.117 0.524 1.00 0.00 ? 20 LEU A HD22 35 ATOM 48557 H HD23 . LEU A 1 20 ? -3.079 -6.898 0.556 1.00 0.00 ? 20 LEU A HD23 35 ATOM 48558 N N . GLN A 1 21 ? -2.053 -1.224 2.880 1.00 0.00 ? 21 GLN A N 35 ATOM 48559 C CA . GLN A 1 21 ? -1.179 -0.058 2.906 1.00 0.00 ? 21 GLN A CA 35 ATOM 48560 C C . GLN A 1 21 ? -0.145 -0.189 4.015 1.00 0.00 ? 21 GLN A C 35 ATOM 48561 O O . GLN A 1 21 ? 0.977 0.302 3.893 1.00 0.00 ? 21 GLN A O 35 ATOM 48562 C CB . GLN A 1 21 ? -2.000 1.217 3.106 1.00 0.00 ? 21 GLN A CB 35 ATOM 48563 C CG . GLN A 1 21 ? -2.614 1.754 1.824 1.00 0.00 ? 21 GLN A CG 35 ATOM 48564 C CD . GLN A 1 21 ? -3.316 3.082 2.026 1.00 0.00 ? 21 GLN A CD 35 ATOM 48565 O OE1 . GLN A 1 21 ? -3.167 4.005 1.224 1.00 0.00 ? 21 GLN A OE1 35 ATOM 48566 N NE2 . GLN A 1 21 ? -4.089 3.185 3.101 1.00 0.00 ? 21 GLN A NE2 35 ATOM 48567 H H . GLN A 1 21 ? -3.015 -1.103 3.028 1.00 0.00 ? 21 GLN A H 35 ATOM 48568 H HA . GLN A 1 21 ? -0.669 -0.004 1.956 1.00 0.00 ? 21 GLN A HA 35 ATOM 48569 H HB2 . GLN A 1 21 ? -2.799 1.011 3.803 1.00 0.00 ? 21 GLN A HB2 35 ATOM 48570 H HB3 . GLN A 1 21 ? -1.360 1.981 3.520 1.00 0.00 ? 21 GLN A HB3 35 ATOM 48571 H HG2 . GLN A 1 21 ? -1.831 1.886 1.093 1.00 0.00 ? 21 GLN A HG2 35 ATOM 48572 H HG3 . GLN A 1 21 ? -3.332 1.035 1.455 1.00 0.00 ? 21 GLN A HG3 35 ATOM 48573 H HE21 . GLN A 1 21 ? -4.161 2.409 3.695 1.00 0.00 ? 21 GLN A HE21 35 ATOM 48574 H HE22 . GLN A 1 21 ? -4.555 4.033 3.256 1.00 0.00 ? 21 GLN A HE22 35 ATOM 48575 N N . LYS A 1 22 ? -0.528 -0.857 5.098 1.00 0.00 ? 22 LYS A N 35 ATOM 48576 C CA . LYS A 1 22 ? 0.370 -1.057 6.227 1.00 0.00 ? 22 LYS A CA 35 ATOM 48577 C C . LYS A 1 22 ? 1.563 -1.908 5.813 1.00 0.00 ? 22 LYS A C 35 ATOM 48578 O O . LYS A 1 22 ? 2.708 -1.590 6.136 1.00 0.00 ? 22 LYS A O 35 ATOM 48579 C CB . LYS A 1 22 ? -0.373 -1.726 7.387 1.00 0.00 ? 22 LYS A CB 35 ATOM 48580 C CG . LYS A 1 22 ? 0.528 -2.088 8.557 1.00 0.00 ? 22 LYS A CG 35 ATOM 48581 C CD . LYS A 1 22 ? 0.931 -0.856 9.351 1.00 0.00 ? 22 LYS A CD 35 ATOM 48582 C CE . LYS A 1 22 ? 2.328 -0.385 8.980 1.00 0.00 ? 22 LYS A CE 35 ATOM 48583 N NZ . LYS A 1 22 ? 3.375 -1.344 9.427 1.00 0.00 ? 22 LYS A NZ 35 ATOM 48584 H H . LYS A 1 22 ? -1.434 -1.228 5.136 1.00 0.00 ? 22 LYS A H 35 ATOM 48585 H HA . LYS A 1 22 ? 0.724 -0.089 6.546 1.00 0.00 ? 22 LYS A HA 35 ATOM 48586 H HB2 . LYS A 1 22 ? -1.138 -1.053 7.744 1.00 0.00 ? 22 LYS A HB2 35 ATOM 48587 H HB3 . LYS A 1 22 ? -0.839 -2.630 7.026 1.00 0.00 ? 22 LYS A HB3 35 ATOM 48588 H HG2 . LYS A 1 22 ? 0.000 -2.767 9.209 1.00 0.00 ? 22 LYS A HG2 35 ATOM 48589 H HG3 . LYS A 1 22 ? 1.418 -2.568 8.178 1.00 0.00 ? 22 LYS A HG3 35 ATOM 48590 H HD2 . LYS A 1 22 ? 0.228 -0.062 9.148 1.00 0.00 ? 22 LYS A HD2 35 ATOM 48591 H HD3 . LYS A 1 22 ? 0.910 -1.097 10.404 1.00 0.00 ? 22 LYS A HD3 35 ATOM 48592 H HE2 . LYS A 1 22 ? 2.384 -0.280 7.906 1.00 0.00 ? 22 LYS A HE2 35 ATOM 48593 H HE3 . LYS A 1 22 ? 2.506 0.573 9.444 1.00 0.00 ? 22 LYS A HE3 35 ATOM 48594 H HZ1 . LYS A 1 22 ? 3.178 -2.292 9.048 1.00 0.00 ? 22 LYS A HZ1 35 ATOM 48595 H HZ2 . LYS A 1 22 ? 4.309 -1.035 9.089 1.00 0.00 ? 22 LYS A HZ2 35 ATOM 48596 H HZ3 . LYS A 1 22 ? 3.393 -1.395 10.465 1.00 0.00 ? 22 LYS A HZ3 35 ATOM 48597 N N . GLU A 1 23 ? 1.287 -2.989 5.090 1.00 0.00 ? 23 GLU A N 35 ATOM 48598 C CA . GLU A 1 23 ? 2.340 -3.885 4.625 1.00 0.00 ? 23 GLU A CA 35 ATOM 48599 C C . GLU A 1 23 ? 3.327 -3.144 3.728 1.00 0.00 ? 23 GLU A C 35 ATOM 48600 O O . GLU A 1 23 ? 4.545 -3.250 3.901 1.00 0.00 ? 23 GLU A O 35 ATOM 48601 C CB . GLU A 1 23 ? 1.734 -5.070 3.869 1.00 0.00 ? 23 GLU A CB 35 ATOM 48602 C CG . GLU A 1 23 ? 2.234 -6.420 4.352 1.00 0.00 ? 23 GLU A CG 35 ATOM 48603 C CD . GLU A 1 23 ? 1.262 -7.097 5.299 1.00 0.00 ? 23 GLU A CD 35 ATOM 48604 O OE1 . GLU A 1 23 ? 0.253 -6.460 5.670 1.00 0.00 ? 23 GLU A OE1 35 ATOM 48605 O OE2 . GLU A 1 23 ? 1.510 -8.264 5.670 1.00 0.00 ? 23 GLU A OE2 35 ATOM 48606 H H . GLU A 1 23 ? 0.352 -3.188 4.864 1.00 0.00 ? 23 GLU A H 35 ATOM 48607 H HA . GLU A 1 23 ? 2.867 -4.255 5.492 1.00 0.00 ? 23 GLU A HA 35 ATOM 48608 H HB2 . GLU A 1 23 ? 0.660 -5.045 3.985 1.00 0.00 ? 23 GLU A HB2 35 ATOM 48609 H HB3 . GLU A 1 23 ? 1.975 -4.974 2.821 1.00 0.00 ? 23 GLU A HB3 35 ATOM 48610 H HG2 . GLU A 1 23 ? 2.384 -7.062 3.497 1.00 0.00 ? 23 GLU A HG2 35 ATOM 48611 H HG3 . GLU A 1 23 ? 3.175 -6.279 4.865 1.00 0.00 ? 23 GLU A HG3 35 ATOM 48612 N N . ILE A 1 24 ? 2.799 -2.386 2.771 1.00 0.00 ? 24 ILE A N 35 ATOM 48613 C CA . ILE A 1 24 ? 3.653 -1.629 1.859 1.00 0.00 ? 24 ILE A CA 35 ATOM 48614 C C . ILE A 1 24 ? 4.542 -0.676 2.658 1.00 0.00 ? 24 ILE A C 35 ATOM 48615 O O . ILE A 1 24 ? 5.701 -0.448 2.312 1.00 0.00 ? 24 ILE A O 35 ATOM 48616 C CB . ILE A 1 24 ? 2.839 -0.853 0.766 1.00 0.00 ? 24 ILE A CB 35 ATOM 48617 C CG1 . ILE A 1 24 ? 2.564 0.606 1.162 1.00 0.00 ? 24 ILE A CG1 35 ATOM 48618 C CG2 . ILE A 1 24 ? 1.527 -1.557 0.454 1.00 0.00 ? 24 ILE A CG2 35 ATOM 48619 C CD1 . ILE A 1 24 ? 3.741 1.521 0.900 1.00 0.00 ? 24 ILE A CD1 35 ATOM 48620 H H . ILE A 1 24 ? 1.825 -2.333 2.686 1.00 0.00 ? 24 ILE A H 35 ATOM 48621 H HA . ILE A 1 24 ? 4.291 -2.342 1.353 1.00 0.00 ? 24 ILE A HA 35 ATOM 48622 H HB . ILE A 1 24 ? 3.428 -0.857 -0.139 1.00 0.00 ? 24 ILE A HB 35 ATOM 48623 H HG12 . ILE A 1 24 ? 1.722 0.976 0.598 1.00 0.00 ? 24 ILE A HG12 35 ATOM 48624 H HG13 . ILE A 1 24 ? 2.335 0.651 2.217 1.00 0.00 ? 24 ILE A HG13 35 ATOM 48625 H HG21 . ILE A 1 24 ? 1.700 -2.618 0.362 1.00 0.00 ? 24 ILE A HG21 35 ATOM 48626 H HG22 . ILE A 1 24 ? 0.824 -1.376 1.252 1.00 0.00 ? 24 ILE A HG22 35 ATOM 48627 H HG23 . ILE A 1 24 ? 1.124 -1.176 -0.473 1.00 0.00 ? 24 ILE A HG23 35 ATOM 48628 H HD11 . ILE A 1 24 ? 4.472 1.002 0.292 1.00 0.00 ? 24 ILE A HD11 35 ATOM 48629 H HD12 . ILE A 1 24 ? 3.401 2.405 0.380 1.00 0.00 ? 24 ILE A HD12 35 ATOM 48630 H HD13 . ILE A 1 24 ? 4.192 1.806 1.838 1.00 0.00 ? 24 ILE A HD13 35 ATOM 48631 N N . GLU A 1 25 ? 3.981 -0.130 3.736 1.00 0.00 ? 25 GLU A N 35 ATOM 48632 C CA . GLU A 1 25 ? 4.707 0.790 4.599 1.00 0.00 ? 25 GLU A CA 35 ATOM 48633 C C . GLU A 1 25 ? 5.917 0.098 5.210 1.00 0.00 ? 25 GLU A C 35 ATOM 48634 O O . GLU A 1 25 ? 6.994 0.683 5.311 1.00 0.00 ? 25 GLU A O 35 ATOM 48635 C CB . GLU A 1 25 ? 3.793 1.321 5.705 1.00 0.00 ? 25 GLU A CB 35 ATOM 48636 C CG . GLU A 1 25 ? 3.049 2.590 5.321 1.00 0.00 ? 25 GLU A CG 35 ATOM 48637 C CD . GLU A 1 25 ? 2.663 3.425 6.526 1.00 0.00 ? 25 GLU A CD 35 ATOM 48638 O OE1 . GLU A 1 25 ? 3.529 3.642 7.401 1.00 0.00 ? 25 GLU A OE1 35 ATOM 48639 O OE2 . GLU A 1 25 ? 1.496 3.863 6.596 1.00 0.00 ? 25 GLU A OE2 35 ATOM 48640 H H . GLU A 1 25 ? 3.055 -0.360 3.957 1.00 0.00 ? 25 GLU A H 35 ATOM 48641 H HA . GLU A 1 25 ? 5.047 1.617 3.993 1.00 0.00 ? 25 GLU A HA 35 ATOM 48642 H HB2 . GLU A 1 25 ? 3.064 0.562 5.948 1.00 0.00 ? 25 GLU A HB2 35 ATOM 48643 H HB3 . GLU A 1 25 ? 4.389 1.529 6.580 1.00 0.00 ? 25 GLU A HB3 35 ATOM 48644 H HG2 . GLU A 1 25 ? 3.683 3.184 4.680 1.00 0.00 ? 25 GLU A HG2 35 ATOM 48645 H HG3 . GLU A 1 25 ? 2.151 2.318 4.787 1.00 0.00 ? 25 GLU A HG3 35 ATOM 48646 N N . ARG A 1 26 ? 5.733 -1.159 5.606 1.00 0.00 ? 26 ARG A N 35 ATOM 48647 C CA . ARG A 1 26 ? 6.818 -1.934 6.192 1.00 0.00 ? 26 ARG A CA 35 ATOM 48648 C C . ARG A 1 26 ? 7.998 -1.976 5.231 1.00 0.00 ? 26 ARG A C 35 ATOM 48649 O O . ARG A 1 26 ? 9.145 -1.724 5.616 1.00 0.00 ? 26 ARG A O 35 ATOM 48650 C CB . ARG A 1 26 ? 6.348 -3.354 6.514 1.00 0.00 ? 26 ARG A CB 35 ATOM 48651 C CG . ARG A 1 26 ? 7.451 -4.253 7.047 1.00 0.00 ? 26 ARG A CG 35 ATOM 48652 C CD . ARG A 1 26 ? 7.956 -5.210 5.980 1.00 0.00 ? 26 ARG A CD 35 ATOM 48653 N NE . ARG A 1 26 ? 7.289 -6.507 6.048 1.00 0.00 ? 26 ARG A NE 35 ATOM 48654 C CZ . ARG A 1 26 ? 7.630 -7.466 6.902 1.00 0.00 ? 26 ARG A CZ 35 ATOM 48655 N NH1 . ARG A 1 26 ? 8.625 -7.272 7.757 1.00 0.00 ? 26 ARG A NH1 35 ATOM 48656 N NH2 . ARG A 1 26 ? 6.974 -8.619 6.903 1.00 0.00 ? 26 ARG A NH2 35 ATOM 48657 H H . ARG A 1 26 ? 4.854 -1.575 5.491 1.00 0.00 ? 26 ARG A H 35 ATOM 48658 H HA . ARG A 1 26 ? 7.125 -1.445 7.105 1.00 0.00 ? 26 ARG A HA 35 ATOM 48659 H HB2 . ARG A 1 26 ? 5.565 -3.303 7.255 1.00 0.00 ? 26 ARG A HB2 35 ATOM 48660 H HB3 . ARG A 1 26 ? 5.952 -3.802 5.614 1.00 0.00 ? 26 ARG A HB3 35 ATOM 48661 H HG2 . ARG A 1 26 ? 8.273 -3.638 7.383 1.00 0.00 ? 26 ARG A HG2 35 ATOM 48662 H HG3 . ARG A 1 26 ? 7.065 -4.826 7.878 1.00 0.00 ? 26 ARG A HG3 35 ATOM 48663 H HD2 . ARG A 1 26 ? 7.775 -4.773 5.009 1.00 0.00 ? 26 ARG A HD2 35 ATOM 48664 H HD3 . ARG A 1 26 ? 9.018 -5.354 6.116 1.00 0.00 ? 26 ARG A HD3 35 ATOM 48665 H HE . ARG A 1 26 ? 6.550 -6.671 5.424 1.00 0.00 ? 26 ARG A HE 35 ATOM 48666 H HH11 . ARG A 1 26 ? 9.120 -6.404 7.759 1.00 0.00 ? 26 ARG A HH11 35 ATOM 48667 H HH12 . ARG A 1 26 ? 8.879 -7.995 8.400 1.00 0.00 ? 26 ARG A HH12 35 ATOM 48668 H HH21 . ARG A 1 26 ? 6.224 -8.768 6.260 1.00 0.00 ? 26 ARG A HH21 35 ATOM 48669 H HH22 . ARG A 1 26 ? 7.232 -9.340 7.548 1.00 0.00 ? 26 ARG A HH22 35 ATOM 48670 N N . HIS A 1 27 ? 7.706 -2.269 3.967 1.00 0.00 ? 27 HIS A N 35 ATOM 48671 C CA . HIS A 1 27 ? 8.741 -2.312 2.953 1.00 0.00 ? 27 HIS A CA 35 ATOM 48672 C C . HIS A 1 27 ? 9.307 -0.916 2.741 1.00 0.00 ? 27 HIS A C 35 ATOM 48673 O O . HIS A 1 27 ? 10.454 -0.756 2.328 1.00 0.00 ? 27 HIS A O 35 ATOM 48674 C CB . HIS A 1 27 ? 8.182 -2.862 1.638 1.00 0.00 ? 27 HIS A CB 35 ATOM 48675 C CG . HIS A 1 27 ? 8.911 -4.069 1.137 1.00 0.00 ? 27 HIS A CG 35 ATOM 48676 N ND1 . HIS A 1 27 ? 10.050 -3.993 0.362 1.00 0.00 ? 27 HIS A ND1 35 ATOM 48677 C CD2 . HIS A 1 27 ? 8.660 -5.389 1.303 1.00 0.00 ? 27 HIS A CD2 35 ATOM 48678 C CE1 . HIS A 1 27 ? 10.467 -5.214 0.073 1.00 0.00 ? 27 HIS A CE1 35 ATOM 48679 N NE2 . HIS A 1 27 ? 9.640 -6.078 0.633 1.00 0.00 ? 27 HIS A NE2 35 ATOM 48680 H H . HIS A 1 27 ? 6.771 -2.435 3.707 1.00 0.00 ? 27 HIS A H 35 ATOM 48681 H HA . HIS A 1 27 ? 9.528 -2.962 3.304 1.00 0.00 ? 27 HIS A HA 35 ATOM 48682 H HB2 . HIS A 1 27 ? 7.147 -3.135 1.781 1.00 0.00 ? 27 HIS A HB2 35 ATOM 48683 H HB3 . HIS A 1 27 ? 8.245 -2.095 0.880 1.00 0.00 ? 27 HIS A HB3 35 ATOM 48684 H HD1 . HIS A 1 27 ? 10.488 -3.167 0.066 1.00 0.00 ? 27 HIS A HD1 35 ATOM 48685 H HD2 . HIS A 1 27 ? 7.840 -5.821 1.860 1.00 0.00 ? 27 HIS A HD2 35 ATOM 48686 H HE1 . HIS A 1 27 ? 11.336 -5.462 -0.518 1.00 0.00 ? 27 HIS A HE1 35 ATOM 48687 H HE2 . HIS A 1 27 ? 9.718 -7.053 0.578 1.00 0.00 ? 27 HIS A HE2 35 ATOM 48688 N N . LYS A 1 28 ? 8.488 0.095 3.032 1.00 0.00 ? 28 LYS A N 35 ATOM 48689 C CA . LYS A 1 28 ? 8.896 1.484 2.880 1.00 0.00 ? 28 LYS A CA 35 ATOM 48690 C C . LYS A 1 28 ? 9.901 1.876 3.956 1.00 0.00 ? 28 LYS A C 35 ATOM 48691 O O . LYS A 1 28 ? 10.723 2.771 3.756 1.00 0.00 ? 28 LYS A O 35 ATOM 48692 C CB . LYS A 1 28 ? 7.678 2.406 2.943 1.00 0.00 ? 28 LYS A CB 35 ATOM 48693 C CG . LYS A 1 28 ? 7.843 3.686 2.141 1.00 0.00 ? 28 LYS A CG 35 ATOM 48694 C CD . LYS A 1 28 ? 7.313 4.892 2.900 1.00 0.00 ? 28 LYS A CD 35 ATOM 48695 C CE . LYS A 1 28 ? 5.817 4.780 3.149 1.00 0.00 ? 28 LYS A CE 35 ATOM 48696 N NZ . LYS A 1 28 ? 5.339 5.795 4.129 1.00 0.00 ? 28 LYS A NZ 35 ATOM 48697 H H . LYS A 1 28 ? 7.586 -0.099 3.358 1.00 0.00 ? 28 LYS A H 35 ATOM 48698 H HA . LYS A 1 28 ? 9.361 1.583 1.916 1.00 0.00 ? 28 LYS A HA 35 ATOM 48699 H HB2 . LYS A 1 28 ? 6.818 1.874 2.561 1.00 0.00 ? 28 LYS A HB2 35 ATOM 48700 H HB3 . LYS A 1 28 ? 7.496 2.673 3.974 1.00 0.00 ? 28 LYS A HB3 35 ATOM 48701 H HG2 . LYS A 1 28 ? 8.891 3.836 1.933 1.00 0.00 ? 28 LYS A HG2 35 ATOM 48702 H HG3 . LYS A 1 28 ? 7.300 3.589 1.212 1.00 0.00 ? 28 LYS A HG3 35 ATOM 48703 H HD2 . LYS A 1 28 ? 7.821 4.959 3.851 1.00 0.00 ? 28 LYS A HD2 35 ATOM 48704 H HD3 . LYS A 1 28 ? 7.507 5.782 2.322 1.00 0.00 ? 28 LYS A HD3 35 ATOM 48705 H HE2 . LYS A 1 28 ? 5.298 4.924 2.214 1.00 0.00 ? 28 LYS A HE2 35 ATOM 48706 H HE3 . LYS A 1 28 ? 5.601 3.793 3.531 1.00 0.00 ? 28 LYS A HE3 35 ATOM 48707 H HZ1 . LYS A 1 28 ? 5.687 6.739 3.865 1.00 0.00 ? 28 LYS A HZ1 35 ATOM 48708 H HZ2 . LYS A 1 28 ? 4.300 5.813 4.146 1.00 0.00 ? 28 LYS A HZ2 35 ATOM 48709 H HZ3 . LYS A 1 28 ? 5.688 5.564 5.081 1.00 0.00 ? 28 LYS A HZ3 35 ATOM 48710 N N . GLN A 1 29 ? 9.834 1.197 5.095 1.00 0.00 ? 29 GLN A N 35 ATOM 48711 C CA . GLN A 1 29 ? 10.739 1.472 6.200 1.00 0.00 ? 29 GLN A CA 35 ATOM 48712 C C . GLN A 1 29 ? 12.124 0.909 5.906 1.00 0.00 ? 29 GLN A C 35 ATOM 48713 O O . GLN A 1 29 ? 13.137 1.570 6.135 1.00 0.00 ? 29 GLN A O 35 ATOM 48714 C CB . GLN A 1 29 ? 10.195 0.874 7.498 1.00 0.00 ? 29 GLN A CB 35 ATOM 48715 C CG . GLN A 1 29 ? 10.696 1.578 8.748 1.00 0.00 ? 29 GLN A CG 35 ATOM 48716 C CD . GLN A 1 29 ? 9.679 1.562 9.873 1.00 0.00 ? 29 GLN A CD 35 ATOM 48717 O OE1 . GLN A 1 29 ? 9.381 2.596 10.472 1.00 0.00 ? 29 GLN A OE1 35 ATOM 48718 N NE2 . GLN A 1 29 ? 9.140 0.384 10.167 1.00 0.00 ? 29 GLN A NE2 35 ATOM 48719 H H . GLN A 1 29 ? 9.160 0.493 5.193 1.00 0.00 ? 29 GLN A H 35 ATOM 48720 H HA . GLN A 1 29 ? 10.816 2.544 6.310 1.00 0.00 ? 29 GLN A HA 35 ATOM 48721 H HB2 . GLN A 1 29 ? 9.116 0.934 7.484 1.00 0.00 ? 29 GLN A HB2 35 ATOM 48722 H HB3 . GLN A 1 29 ? 10.488 -0.164 7.554 1.00 0.00 ? 29 GLN A HB3 35 ATOM 48723 H HG2 . GLN A 1 29 ? 11.594 1.085 9.090 1.00 0.00 ? 29 GLN A HG2 35 ATOM 48724 H HG3 . GLN A 1 29 ? 10.921 2.605 8.501 1.00 0.00 ? 29 GLN A HG3 35 ATOM 48725 H HE21 . GLN A 1 29 ? 9.425 -0.397 9.649 1.00 0.00 ? 29 GLN A HE21 35 ATOM 48726 H HE22 . GLN A 1 29 ? 8.480 0.344 10.890 1.00 0.00 ? 29 GLN A HE22 35 ATOM 48727 N N . SER A 1 30 ? 12.160 -0.318 5.396 1.00 0.00 ? 30 SER A N 35 ATOM 48728 C CA . SER A 1 30 ? 13.425 -0.967 5.069 1.00 0.00 ? 30 SER A CA 35 ATOM 48729 C C . SER A 1 30 ? 14.135 -0.246 3.924 1.00 0.00 ? 30 SER A C 35 ATOM 48730 O O . SER A 1 30 ? 15.351 -0.051 3.959 1.00 0.00 ? 30 SER A O 35 ATOM 48731 C CB . SER A 1 30 ? 13.190 -2.432 4.696 1.00 0.00 ? 30 SER A CB 35 ATOM 48732 O OG . SER A 1 30 ? 11.889 -2.620 4.166 1.00 0.00 ? 30 SER A OG 35 ATOM 48733 H H . SER A 1 30 ? 11.315 -0.797 5.236 1.00 0.00 ? 30 SER A H 35 ATOM 48734 H HA . SER A 1 30 ? 14.053 -0.926 5.946 1.00 0.00 ? 30 SER A HA 35 ATOM 48735 H HB2 . SER A 1 30 ? 13.913 -2.733 3.954 1.00 0.00 ? 30 SER A HB2 35 ATOM 48736 H HB3 . SER A 1 30 ? 13.298 -3.048 5.577 1.00 0.00 ? 30 SER A HB3 35 ATOM 48737 H HG . SER A 1 30 ? 11.672 -3.555 4.172 1.00 0.00 ? 30 SER A HG 35 ATOM 48738 N N . ILE A 1 31 ? 13.369 0.149 2.913 1.00 0.00 ? 31 ILE A N 35 ATOM 48739 C CA . ILE A 1 31 ? 13.923 0.846 1.756 1.00 0.00 ? 31 ILE A CA 35 ATOM 48740 C C . ILE A 1 31 ? 14.334 2.269 2.122 1.00 0.00 ? 31 ILE A C 35 ATOM 48741 O O . ILE A 1 31 ? 15.291 2.810 1.568 1.00 0.00 ? 31 ILE A O 35 ATOM 48742 C CB . ILE A 1 31 ? 12.904 0.878 0.597 1.00 0.00 ? 31 ILE A CB 35 ATOM 48743 C CG1 . ILE A 1 31 ? 13.405 1.719 -0.576 1.00 0.00 ? 31 ILE A CG1 35 ATOM 48744 C CG2 . ILE A 1 31 ? 11.577 1.423 1.081 1.00 0.00 ? 31 ILE A CG2 35 ATOM 48745 C CD1 . ILE A 1 31 ? 14.470 1.037 -1.388 1.00 0.00 ? 31 ILE A CD1 35 ATOM 48746 H H . ILE A 1 31 ? 12.405 -0.034 2.942 1.00 0.00 ? 31 ILE A H 35 ATOM 48747 H HA . ILE A 1 31 ? 14.797 0.303 1.427 1.00 0.00 ? 31 ILE A HA 35 ATOM 48748 H HB . ILE A 1 31 ? 12.753 -0.140 0.260 1.00 0.00 ? 31 ILE A HB 35 ATOM 48749 H HG12 . ILE A 1 31 ? 12.573 1.927 -1.236 1.00 0.00 ? 31 ILE A HG12 35 ATOM 48750 H HG13 . ILE A 1 31 ? 13.808 2.649 -0.206 1.00 0.00 ? 31 ILE A HG13 35 ATOM 48751 H HG21 . ILE A 1 31 ? 11.596 1.524 2.156 1.00 0.00 ? 31 ILE A HG21 35 ATOM 48752 H HG22 . ILE A 1 31 ? 11.401 2.390 0.635 1.00 0.00 ? 31 ILE A HG22 35 ATOM 48753 H HG23 . ILE A 1 31 ? 10.786 0.748 0.796 1.00 0.00 ? 31 ILE A HG23 35 ATOM 48754 H HD11 . ILE A 1 31 ? 15.147 0.513 -0.730 1.00 0.00 ? 31 ILE A HD11 35 ATOM 48755 H HD12 . ILE A 1 31 ? 14.005 0.331 -2.061 1.00 0.00 ? 31 ILE A HD12 35 ATOM 48756 H HD13 . ILE A 1 31 ? 15.016 1.774 -1.958 1.00 0.00 ? 31 ILE A HD13 35 ATOM 48757 N N . LYS A 1 32 ? 13.608 2.867 3.057 1.00 0.00 ? 32 LYS A N 35 ATOM 48758 C CA . LYS A 1 32 ? 13.902 4.225 3.495 1.00 0.00 ? 32 LYS A CA 35 ATOM 48759 C C . LYS A 1 32 ? 15.112 4.252 4.424 1.00 0.00 ? 32 LYS A C 35 ATOM 48760 O O . LYS A 1 32 ? 15.741 5.295 4.606 1.00 0.00 ? 32 LYS A O 35 ATOM 48761 C CB . LYS A 1 32 ? 12.688 4.829 4.203 1.00 0.00 ? 32 LYS A CB 35 ATOM 48762 C CG . LYS A 1 32 ? 11.625 5.350 3.250 1.00 0.00 ? 32 LYS A CG 35 ATOM 48763 C CD . LYS A 1 32 ? 12.049 6.659 2.603 1.00 0.00 ? 32 LYS A CD 35 ATOM 48764 C CE . LYS A 1 32 ? 11.075 7.084 1.518 1.00 0.00 ? 32 LYS A CE 35 ATOM 48765 N NZ . LYS A 1 32 ? 9.711 7.333 2.060 1.00 0.00 ? 32 LYS A NZ 35 ATOM 48766 H H . LYS A 1 32 ? 12.858 2.385 3.465 1.00 0.00 ? 32 LYS A H 35 ATOM 48767 H HA . LYS A 1 32 ? 14.125 4.814 2.618 1.00 0.00 ? 32 LYS A HA 35 ATOM 48768 H HB2 . LYS A 1 32 ? 12.239 4.073 4.831 1.00 0.00 ? 32 LYS A HB2 35 ATOM 48769 H HB3 . LYS A 1 32 ? 13.018 5.649 4.822 1.00 0.00 ? 32 LYS A HB3 35 ATOM 48770 H HG2 . LYS A 1 32 ? 11.458 4.616 2.476 1.00 0.00 ? 32 LYS A HG2 35 ATOM 48771 H HG3 . LYS A 1 32 ? 10.709 5.509 3.800 1.00 0.00 ? 32 LYS A HG3 35 ATOM 48772 H HD2 . LYS A 1 32 ? 12.086 7.427 3.361 1.00 0.00 ? 32 LYS A HD2 35 ATOM 48773 H HD3 . LYS A 1 32 ? 13.029 6.533 2.168 1.00 0.00 ? 32 LYS A HD3 35 ATOM 48774 H HE2 . LYS A 1 32 ? 11.440 7.991 1.059 1.00 0.00 ? 32 LYS A HE2 35 ATOM 48775 H HE3 . LYS A 1 32 ? 11.021 6.302 0.774 1.00 0.00 ? 32 LYS A HE3 35 ATOM 48776 H HZ1 . LYS A 1 32 ? 9.416 6.540 2.664 1.00 0.00 ? 32 LYS A HZ1 35 ATOM 48777 H HZ2 . LYS A 1 32 ? 9.704 8.206 2.626 1.00 0.00 ? 32 LYS A HZ2 35 ATOM 48778 H HZ3 . LYS A 1 32 ? 9.029 7.433 1.280 1.00 0.00 ? 32 LYS A HZ3 35 ATOM 48779 N N . LYS A 1 33 ? 15.433 3.105 5.017 1.00 0.00 ? 33 LYS A N 35 ATOM 48780 C CA . LYS A 1 33 ? 16.565 3.012 5.932 1.00 0.00 ? 33 LYS A CA 35 ATOM 48781 C C . LYS A 1 33 ? 17.876 2.810 5.179 1.00 0.00 ? 33 LYS A C 35 ATOM 48782 O O . LYS A 1 33 ? 18.908 3.366 5.558 1.00 0.00 ? 33 LYS A O 35 ATOM 48783 C CB . LYS A 1 33 ? 16.353 1.867 6.924 1.00 0.00 ? 33 LYS A CB 35 ATOM 48784 C CG . LYS A 1 33 ? 16.606 2.261 8.370 1.00 0.00 ? 33 LYS A CG 35 ATOM 48785 C CD . LYS A 1 33 ? 16.139 1.180 9.332 1.00 0.00 ? 33 LYS A CD 35 ATOM 48786 C CE . LYS A 1 33 ? 17.012 1.126 10.575 1.00 0.00 ? 33 LYS A CE 35 ATOM 48787 N NZ . LYS A 1 33 ? 16.278 0.568 11.745 1.00 0.00 ? 33 LYS A NZ 35 ATOM 48788 H H . LYS A 1 33 ? 14.895 2.305 4.841 1.00 0.00 ? 33 LYS A H 35 ATOM 48789 H HA . LYS A 1 33 ? 16.622 3.941 6.477 1.00 0.00 ? 33 LYS A HA 35 ATOM 48790 H HB2 . LYS A 1 33 ? 15.334 1.519 6.842 1.00 0.00 ? 33 LYS A HB2 35 ATOM 48791 H HB3 . LYS A 1 33 ? 17.023 1.058 6.672 1.00 0.00 ? 33 LYS A HB3 35 ATOM 48792 H HG2 . LYS A 1 33 ? 17.664 2.420 8.510 1.00 0.00 ? 33 LYS A HG2 35 ATOM 48793 H HG3 . LYS A 1 33 ? 16.071 3.175 8.583 1.00 0.00 ? 33 LYS A HG3 35 ATOM 48794 H HD2 . LYS A 1 33 ? 15.122 1.388 9.627 1.00 0.00 ? 33 LYS A HD2 35 ATOM 48795 H HD3 . LYS A 1 33 ? 16.182 0.224 8.831 1.00 0.00 ? 33 LYS A HD3 35 ATOM 48796 H HE2 . LYS A 1 33 ? 17.871 0.504 10.370 1.00 0.00 ? 33 LYS A HE2 35 ATOM 48797 H HE3 . LYS A 1 33 ? 17.342 2.127 10.811 1.00 0.00 ? 33 LYS A HE3 35 ATOM 48798 H HZ1 . LYS A 1 33 ? 15.261 0.514 11.537 1.00 0.00 ? 33 LYS A HZ1 35 ATOM 48799 H HZ2 . LYS A 1 33 ? 16.627 -0.388 11.962 1.00 0.00 ? 33 LYS A HZ2 35 ATOM 48800 H HZ3 . LYS A 1 33 ? 16.419 1.175 12.578 1.00 0.00 ? 33 LYS A HZ3 35 ATOM 48801 N N . LEU A 1 34 ? 17.838 2.019 4.111 1.00 0.00 ? 34 LEU A N 35 ATOM 48802 C CA . LEU A 1 34 ? 19.033 1.762 3.320 1.00 0.00 ? 34 LEU A CA 35 ATOM 48803 C C . LEU A 1 34 ? 19.245 2.869 2.293 1.00 0.00 ? 34 LEU A C 35 ATOM 48804 O O . LEU A 1 34 ? 20.363 3.088 1.824 1.00 0.00 ? 34 LEU A O 35 ATOM 48805 C CB . LEU A 1 34 ? 18.932 0.402 2.630 1.00 0.00 ? 34 LEU A CB 35 ATOM 48806 C CG . LEU A 1 34 ? 20.182 -0.028 1.859 1.00 0.00 ? 34 LEU A CG 35 ATOM 48807 C CD1 . LEU A 1 34 ? 21.381 -0.116 2.788 1.00 0.00 ? 34 LEU A CD1 35 ATOM 48808 C CD2 . LEU A 1 34 ? 19.946 -1.360 1.164 1.00 0.00 ? 34 LEU A CD2 35 ATOM 48809 H H . LEU A 1 34 ? 16.990 1.603 3.844 1.00 0.00 ? 34 LEU A H 35 ATOM 48810 H HA . LEU A 1 34 ? 19.876 1.752 3.995 1.00 0.00 ? 34 LEU A HA 35 ATOM 48811 H HB2 . LEU A 1 34 ? 18.727 -0.345 3.384 1.00 0.00 ? 34 LEU A HB2 35 ATOM 48812 H HB3 . LEU A 1 34 ? 18.103 0.431 1.942 1.00 0.00 ? 34 LEU A HB3 35 ATOM 48813 H HG . LEU A 1 34 ? 20.402 0.711 1.101 1.00 0.00 ? 34 LEU A HG 35 ATOM 48814 H HD11 . LEU A 1 34 ? 21.125 -0.713 3.652 1.00 0.00 ? 34 LEU A HD11 35 ATOM 48815 H HD12 . LEU A 1 34 ? 22.208 -0.575 2.267 1.00 0.00 ? 34 LEU A HD12 35 ATOM 48816 H HD13 . LEU A 1 34 ? 21.663 0.876 3.108 1.00 0.00 ? 34 LEU A HD13 35 ATOM 48817 H HD21 . LEU A 1 34 ? 18.894 -1.605 1.202 1.00 0.00 ? 34 LEU A HD21 35 ATOM 48818 H HD22 . LEU A 1 34 ? 20.262 -1.290 0.133 1.00 0.00 ? 34 LEU A HD22 35 ATOM 48819 H HD23 . LEU A 1 34 ? 20.513 -2.132 1.663 1.00 0.00 ? 34 LEU A HD23 35 ATOM 48820 N N . LYS A 1 35 ? 18.168 3.574 1.956 1.00 0.00 ? 35 LYS A N 35 ATOM 48821 C CA . LYS A 1 35 ? 18.243 4.667 0.998 1.00 0.00 ? 35 LYS A CA 35 ATOM 48822 C C . LYS A 1 35 ? 18.559 5.976 1.711 1.00 0.00 ? 35 LYS A C 35 ATOM 48823 O O . LYS A 1 35 ? 19.151 6.885 1.129 1.00 0.00 ? 35 LYS A O 35 ATOM 48824 C CB . LYS A 1 35 ? 16.926 4.792 0.228 1.00 0.00 ? 35 LYS A CB 35 ATOM 48825 C CG . LYS A 1 35 ? 16.897 5.965 -0.739 1.00 0.00 ? 35 LYS A CG 35 ATOM 48826 C CD . LYS A 1 35 ? 15.472 6.351 -1.102 1.00 0.00 ? 35 LYS A CD 35 ATOM 48827 C CE . LYS A 1 35 ? 14.694 5.163 -1.645 1.00 0.00 ? 35 LYS A CE 35 ATOM 48828 N NZ . LYS A 1 35 ? 13.234 5.445 -1.724 1.00 0.00 ? 35 LYS A NZ 35 ATOM 48829 H H . LYS A 1 35 ? 17.306 3.361 2.369 1.00 0.00 ? 35 LYS A H 35 ATOM 48830 H HA . LYS A 1 35 ? 19.039 4.447 0.304 1.00 0.00 ? 35 LYS A HA 35 ATOM 48831 H HB2 . LYS A 1 35 ? 16.764 3.885 -0.335 1.00 0.00 ? 35 LYS A HB2 35 ATOM 48832 H HB3 . LYS A 1 35 ? 16.120 4.918 0.935 1.00 0.00 ? 35 LYS A HB3 35 ATOM 48833 H HG2 . LYS A 1 35 ? 17.382 6.812 -0.278 1.00 0.00 ? 35 LYS A HG2 35 ATOM 48834 H HG3 . LYS A 1 35 ? 17.426 5.689 -1.639 1.00 0.00 ? 35 LYS A HG3 35 ATOM 48835 H HD2 . LYS A 1 35 ? 14.974 6.722 -0.219 1.00 0.00 ? 35 LYS A HD2 35 ATOM 48836 H HD3 . LYS A 1 35 ? 15.500 7.126 -1.854 1.00 0.00 ? 35 LYS A HD3 35 ATOM 48837 H HE2 . LYS A 1 35 ? 15.061 4.930 -2.633 1.00 0.00 ? 35 LYS A HE2 35 ATOM 48838 H HE3 . LYS A 1 35 ? 14.855 4.317 -0.994 1.00 0.00 ? 35 LYS A HE3 35 ATOM 48839 H HZ1 . LYS A 1 35 ? 13.070 6.352 -2.205 1.00 0.00 ? 35 LYS A HZ1 35 ATOM 48840 H HZ2 . LYS A 1 35 ? 12.753 4.691 -2.256 1.00 0.00 ? 35 LYS A HZ2 35 ATOM 48841 H HZ3 . LYS A 1 35 ? 12.827 5.494 -0.768 1.00 0.00 ? 35 LYS A HZ3 35 ATOM 48842 N N . GLN A 1 36 ? 18.169 6.061 2.981 1.00 0.00 ? 36 GLN A N 35 ATOM 48843 C CA . GLN A 1 36 ? 18.422 7.255 3.776 1.00 0.00 ? 36 GLN A CA 35 ATOM 48844 C C . GLN A 1 36 ? 19.833 7.225 4.350 1.00 0.00 ? 36 GLN A C 35 ATOM 48845 O O . GLN A 1 36 ? 20.467 8.265 4.522 1.00 0.00 ? 36 GLN A O 35 ATOM 48846 C CB . GLN A 1 36 ? 17.399 7.369 4.909 1.00 0.00 ? 36 GLN A CB 35 ATOM 48847 C CG . GLN A 1 36 ? 17.682 8.511 5.871 1.00 0.00 ? 36 GLN A CG 35 ATOM 48848 C CD . GLN A 1 36 ? 16.416 9.173 6.377 1.00 0.00 ? 36 GLN A CD 35 ATOM 48849 O OE1 . GLN A 1 36 ? 15.317 8.883 5.905 1.00 0.00 ? 36 GLN A OE1 35 ATOM 48850 N NE2 . GLN A 1 36 ? 16.564 10.070 7.346 1.00 0.00 ? 36 GLN A NE2 35 ATOM 48851 H H . GLN A 1 36 ? 17.707 5.299 3.394 1.00 0.00 ? 36 GLN A H 35 ATOM 48852 H HA . GLN A 1 36 ? 18.326 8.113 3.127 1.00 0.00 ? 36 GLN A HA 35 ATOM 48853 H HB2 . GLN A 1 36 ? 16.420 7.522 4.480 1.00 0.00 ? 36 GLN A HB2 35 ATOM 48854 H HB3 . GLN A 1 36 ? 17.396 6.446 5.470 1.00 0.00 ? 36 GLN A HB3 35 ATOM 48855 H HG2 . GLN A 1 36 ? 18.230 8.125 6.717 1.00 0.00 ? 36 GLN A HG2 35 ATOM 48856 H HG3 . GLN A 1 36 ? 18.280 9.253 5.363 1.00 0.00 ? 36 GLN A HG3 35 ATOM 48857 H HE21 . GLN A 1 36 ? 17.469 10.251 7.674 1.00 0.00 ? 36 GLN A HE21 35 ATOM 48858 H HE22 . GLN A 1 36 ? 15.761 10.514 7.693 1.00 0.00 ? 36 GLN A HE22 35 ATOM 48859 N N . SER A 1 37 ? 20.321 6.022 4.640 1.00 0.00 ? 37 SER A N 35 ATOM 48860 C CA . SER A 1 37 ? 21.660 5.853 5.188 1.00 0.00 ? 37 SER A CA 35 ATOM 48861 C C . SER A 1 37 ? 22.715 6.038 4.103 1.00 0.00 ? 37 SER A C 35 ATOM 48862 O O . SER A 1 37 ? 23.856 6.402 4.388 1.00 0.00 ? 37 SER A O 35 ATOM 48863 C CB . SER A 1 37 ? 21.803 4.470 5.826 1.00 0.00 ? 37 SER A CB 35 ATOM 48864 O OG . SER A 1 37 ? 21.373 3.452 4.939 1.00 0.00 ? 37 SER A OG 35 ATOM 48865 H H . SER A 1 37 ? 19.767 5.228 4.477 1.00 0.00 ? 37 SER A H 35 ATOM 48866 H HA . SER A 1 37 ? 21.805 6.607 5.947 1.00 0.00 ? 37 SER A HA 35 ATOM 48867 H HB2 . SER A 1 37 ? 22.839 4.297 6.077 1.00 0.00 ? 37 SER A HB2 35 ATOM 48868 H HB3 . SER A 1 37 ? 21.203 4.426 6.723 1.00 0.00 ? 37 SER A HB3 35 ATOM 48869 H HG . SER A 1 37 ? 21.768 3.592 4.075 1.00 0.00 ? 37 SER A HG 35 ATOM 48870 N N . GLU A 1 38 ? 22.326 5.786 2.856 1.00 0.00 ? 38 GLU A N 35 ATOM 48871 C CA . GLU A 1 38 ? 23.238 5.927 1.728 1.00 0.00 ? 38 GLU A CA 35 ATOM 48872 C C . GLU A 1 38 ? 23.483 7.398 1.407 1.00 0.00 ? 38 GLU A C 35 ATOM 48873 O O . GLU A 1 38 ? 24.548 7.767 0.914 1.00 0.00 ? 38 GLU A O 35 ATOM 48874 C CB . GLU A 1 38 ? 22.676 5.212 0.498 1.00 0.00 ? 38 GLU A CB 35 ATOM 48875 C CG . GLU A 1 38 ? 23.712 4.953 -0.583 1.00 0.00 ? 38 GLU A CG 35 ATOM 48876 C CD . GLU A 1 38 ? 23.187 5.240 -1.975 1.00 0.00 ? 38 GLU A CD 35 ATOM 48877 O OE1 . GLU A 1 38 ? 22.713 6.372 -2.209 1.00 0.00 ? 38 GLU A OE1 35 ATOM 48878 O OE2 . GLU A 1 38 ? 23.248 4.333 -2.832 1.00 0.00 ? 38 GLU A OE2 35 ATOM 48879 H H . GLU A 1 38 ? 21.401 5.500 2.691 1.00 0.00 ? 38 GLU A H 35 ATOM 48880 H HA . GLU A 1 38 ? 24.177 5.469 2.001 1.00 0.00 ? 38 GLU A HA 35 ATOM 48881 H HB2 . GLU A 1 38 ? 22.262 4.262 0.805 1.00 0.00 ? 38 GLU A HB2 35 ATOM 48882 H HB3 . GLU A 1 38 ? 21.888 5.816 0.073 1.00 0.00 ? 38 GLU A HB3 35 ATOM 48883 H HG2 . GLU A 1 38 ? 24.569 5.585 -0.401 1.00 0.00 ? 38 GLU A HG2 35 ATOM 48884 H HG3 . GLU A 1 38 ? 24.013 3.917 -0.534 1.00 0.00 ? 38 GLU A HG3 35 ATOM 48885 N N . ASP A 1 39 ? 22.489 8.233 1.692 1.00 0.00 ? 39 ASP A N 35 ATOM 48886 C CA . ASP A 1 39 ? 22.596 9.665 1.434 1.00 0.00 ? 39 ASP A CA 35 ATOM 48887 C C . ASP A 1 39 ? 21.865 10.467 2.506 1.00 0.00 ? 39 ASP A C 35 ATOM 48888 O O . ASP A 1 39 ? 21.141 11.415 2.200 1.00 0.00 ? 39 ASP A O 35 ATOM 48889 C CB . ASP A 1 39 ? 22.029 10.000 0.053 1.00 0.00 ? 39 ASP A CB 35 ATOM 48890 C CG . ASP A 1 39 ? 22.703 11.205 -0.572 1.00 0.00 ? 39 ASP A CG 35 ATOM 48891 O OD1 . ASP A 1 39 ? 23.939 11.171 -0.746 1.00 0.00 ? 39 ASP A OD1 35 ATOM 48892 O OD2 . ASP A 1 39 ? 21.994 12.183 -0.887 1.00 0.00 ? 39 ASP A OD2 35 ATOM 48893 H H . ASP A 1 39 ? 21.664 7.879 2.084 1.00 0.00 ? 39 ASP A H 35 ATOM 48894 H HA . ASP A 1 39 ? 23.643 9.928 1.456 1.00 0.00 ? 39 ASP A HA 35 ATOM 48895 H HB2 . ASP A 1 39 ? 22.168 9.153 -0.602 1.00 0.00 ? 39 ASP A HB2 35 ATOM 48896 H HB3 . ASP A 1 39 ? 20.973 10.208 0.147 1.00 0.00 ? 39 ASP A HB3 35 ATOM 48897 N N . ASP A 1 40 ? 22.059 10.080 3.762 1.00 0.00 ? 40 ASP A N 35 ATOM 48898 C CA . ASP A 1 40 ? 21.418 10.763 4.880 1.00 0.00 ? 40 ASP A CA 35 ATOM 48899 C C . ASP A 1 40 ? 21.641 12.269 4.798 1.00 0.00 ? 40 ASP A C 35 ATOM 48900 O O . ASP A 1 40 ? 22.708 12.727 4.387 1.00 0.00 ? 40 ASP A O 35 ATOM 48901 C CB . ASP A 1 40 ? 21.955 10.227 6.208 1.00 0.00 ? 40 ASP A CB 35 ATOM 48902 C CG . ASP A 1 40 ? 20.917 10.271 7.311 1.00 0.00 ? 40 ASP A CG 35 ATOM 48903 O OD1 . ASP A 1 40 ? 19.843 9.656 7.142 1.00 0.00 ? 40 ASP A OD1 35 ATOM 48904 O OD2 . ASP A 1 40 ? 21.176 10.921 8.346 1.00 0.00 ? 40 ASP A OD2 35 ATOM 48905 H H . ASP A 1 40 ? 22.647 9.317 3.942 1.00 0.00 ? 40 ASP A H 35 ATOM 48906 H HA . ASP A 1 40 ? 20.358 10.565 4.824 1.00 0.00 ? 40 ASP A HA 35 ATOM 48907 H HB2 . ASP A 1 40 ? 22.268 9.202 6.076 1.00 0.00 ? 40 ASP A HB2 35 ATOM 48908 H HB3 . ASP A 1 40 ? 22.803 10.822 6.512 1.00 0.00 ? 40 ASP A HB3 35 ATOM 48909 N N . ASP A 1 41 ? 20.629 13.035 5.192 1.00 0.00 ? 41 ASP A N 35 ATOM 48910 C CA . ASP A 1 41 ? 20.715 14.490 5.163 1.00 0.00 ? 41 ASP A CA 35 ATOM 48911 C C . ASP A 1 41 ? 21.047 15.043 6.545 1.00 0.00 ? 41 ASP A C 35 ATOM 48912 O O . ASP A 1 41 ? 21.290 14.232 7.464 1.00 0.00 ? 41 ASP A O 35 ATOM 48913 C CB . ASP A 1 41 ? 19.400 15.090 4.663 1.00 0.00 ? 41 ASP A CB 35 ATOM 48914 C CG . ASP A 1 41 ? 19.527 15.687 3.275 1.00 0.00 ? 41 ASP A CG 35 ATOM 48915 O OD1 . ASP A 1 41 ? 20.533 16.380 3.016 1.00 0.00 ? 41 ASP A OD1 35 ATOM 48916 O OD2 . ASP A 1 41 ? 18.621 15.460 2.446 1.00 0.00 ? 41 ASP A OD2 35 ATOM 48917 O OXT . ASP A 1 41 ? 21.060 16.282 6.699 1.00 0.00 ? 41 ASP A OXT 35 ATOM 48918 H H . ASP A 1 41 ? 19.804 12.611 5.509 1.00 0.00 ? 41 ASP A H 35 ATOM 48919 H HA . ASP A 1 41 ? 21.506 14.762 4.481 1.00 0.00 ? 41 ASP A HA 35 ATOM 48920 H HB2 . ASP A 1 41 ? 18.646 14.317 4.634 1.00 0.00 ? 41 ASP A HB2 35 ATOM 48921 H HB3 . ASP A 1 41 ? 19.085 15.869 5.342 1.00 0.00 ? 41 ASP A HB3 35 ATOM 48922 N N . ALA B 1 1 ? 26.431 8.464 -7.920 1.00 0.00 ? 1 ALA B N 35 ATOM 48923 C CA . ALA B 1 1 ? 26.585 9.472 -6.839 1.00 0.00 ? 1 ALA B CA 35 ATOM 48924 C C . ALA B 1 1 ? 27.011 8.813 -5.532 1.00 0.00 ? 1 ALA B C 35 ATOM 48925 O O . ALA B 1 1 ? 27.617 9.452 -4.672 1.00 0.00 ? 1 ALA B O 35 ATOM 48926 C CB . ALA B 1 1 ? 25.286 10.239 -6.644 1.00 0.00 ? 1 ALA B CB 35 ATOM 48927 H H1 . ALA B 1 1 ? 27.176 7.748 -7.793 1.00 0.00 ? 1 ALA B H1 35 ATOM 48928 H H2 . ALA B 1 1 ? 25.486 8.042 -7.827 1.00 0.00 ? 1 ALA B H2 35 ATOM 48929 H H3 . ALA B 1 1 ? 26.533 8.956 -8.829 1.00 0.00 ? 1 ALA B H3 35 ATOM 48930 H HA . ALA B 1 1 ? 27.348 10.177 -7.138 1.00 0.00 ? 1 ALA B HA 35 ATOM 48931 H HB1 . ALA B 1 1 ? 25.059 10.301 -5.589 1.00 0.00 ? 1 ALA B HB1 35 ATOM 48932 H HB2 . ALA B 1 1 ? 25.391 11.234 -7.049 1.00 0.00 ? 1 ALA B HB2 35 ATOM 48933 H HB3 . ALA B 1 1 ? 24.485 9.725 -7.155 1.00 0.00 ? 1 ALA B HB3 35 ATOM 48934 N N . LEU B 1 2 ? 26.690 7.531 -5.389 1.00 0.00 ? 2 LEU B N 35 ATOM 48935 C CA . LEU B 1 2 ? 27.039 6.785 -4.185 1.00 0.00 ? 2 LEU B CA 35 ATOM 48936 C C . LEU B 1 2 ? 27.303 5.319 -4.512 1.00 0.00 ? 2 LEU B C 35 ATOM 48937 O O . LEU B 1 2 ? 27.450 4.948 -5.676 1.00 0.00 ? 2 LEU B O 35 ATOM 48938 C CB . LEU B 1 2 ? 25.920 6.896 -3.149 1.00 0.00 ? 2 LEU B CB 35 ATOM 48939 C CG . LEU B 1 2 ? 25.220 8.256 -3.095 1.00 0.00 ? 2 LEU B CG 35 ATOM 48940 C CD1 . LEU B 1 2 ? 24.111 8.326 -4.133 1.00 0.00 ? 2 LEU B CD1 35 ATOM 48941 C CD2 . LEU B 1 2 ? 24.666 8.514 -1.702 1.00 0.00 ? 2 LEU B CD2 35 ATOM 48942 H H . LEU B 1 2 ? 26.206 7.076 -6.110 1.00 0.00 ? 2 LEU B H 35 ATOM 48943 H HA . LEU B 1 2 ? 27.941 7.218 -3.777 1.00 0.00 ? 2 LEU B HA 35 ATOM 48944 H HB2 . LEU B 1 2 ? 25.179 6.141 -3.368 1.00 0.00 ? 2 LEU B HB2 35 ATOM 48945 H HB3 . LEU B 1 2 ? 26.339 6.694 -2.175 1.00 0.00 ? 2 LEU B HB3 35 ATOM 48946 H HG . LEU B 1 2 ? 25.938 9.032 -3.320 1.00 0.00 ? 2 LEU B HG 35 ATOM 48947 H HD11 . LEU B 1 2 ? 23.432 7.499 -3.991 1.00 0.00 ? 2 LEU B HD11 35 ATOM 48948 H HD12 . LEU B 1 2 ? 23.574 9.256 -4.022 1.00 0.00 ? 2 LEU B HD12 35 ATOM 48949 H HD13 . LEU B 1 2 ? 24.541 8.274 -5.123 1.00 0.00 ? 2 LEU B HD13 35 ATOM 48950 H HD21 . LEU B 1 2 ? 24.334 7.583 -1.268 1.00 0.00 ? 2 LEU B HD21 35 ATOM 48951 H HD22 . LEU B 1 2 ? 25.439 8.945 -1.082 1.00 0.00 ? 2 LEU B HD22 35 ATOM 48952 H HD23 . LEU B 1 2 ? 23.833 9.198 -1.767 1.00 0.00 ? 2 LEU B HD23 35 ATOM 48953 N N . LYS B 1 3 ? 27.359 4.488 -3.476 1.00 0.00 ? 3 LYS B N 35 ATOM 48954 C CA . LYS B 1 3 ? 27.603 3.061 -3.652 1.00 0.00 ? 3 LYS B CA 35 ATOM 48955 C C . LYS B 1 3 ? 26.662 2.472 -4.697 1.00 0.00 ? 3 LYS B C 35 ATOM 48956 O O . LYS B 1 3 ? 25.491 2.846 -4.773 1.00 0.00 ? 3 LYS B O 35 ATOM 48957 C CB . LYS B 1 3 ? 27.432 2.325 -2.322 1.00 0.00 ? 3 LYS B CB 35 ATOM 48958 C CG . LYS B 1 3 ? 28.453 2.726 -1.269 1.00 0.00 ? 3 LYS B CG 35 ATOM 48959 C CD . LYS B 1 3 ? 27.913 2.521 0.137 1.00 0.00 ? 3 LYS B CD 35 ATOM 48960 C CE . LYS B 1 3 ? 26.934 3.618 0.524 1.00 0.00 ? 3 LYS B CE 35 ATOM 48961 N NZ . LYS B 1 3 ? 27.561 4.967 0.463 1.00 0.00 ? 3 LYS B NZ 35 ATOM 48962 H H . LYS B 1 3 ? 27.232 4.843 -2.572 1.00 0.00 ? 3 LYS B H 35 ATOM 48963 H HA . LYS B 1 3 ? 28.621 2.939 -3.992 1.00 0.00 ? 3 LYS B HA 35 ATOM 48964 H HB2 . LYS B 1 3 ? 26.446 2.534 -1.933 1.00 0.00 ? 3 LYS B HB2 35 ATOM 48965 H HB3 . LYS B 1 3 ? 27.525 1.263 -2.497 1.00 0.00 ? 3 LYS B HB3 35 ATOM 48966 H HG2 . LYS B 1 3 ? 29.340 2.123 -1.395 1.00 0.00 ? 3 LYS B HG2 35 ATOM 48967 H HG3 . LYS B 1 3 ? 28.702 3.769 -1.401 1.00 0.00 ? 3 LYS B HG3 35 ATOM 48968 H HD2 . LYS B 1 3 ? 27.406 1.568 0.182 1.00 0.00 ? 3 LYS B HD2 35 ATOM 48969 H HD3 . LYS B 1 3 ? 28.739 2.525 0.833 1.00 0.00 ? 3 LYS B HD3 35 ATOM 48970 H HE2 . LYS B 1 3 ? 26.095 3.590 -0.155 1.00 0.00 ? 3 LYS B HE2 35 ATOM 48971 H HE3 . LYS B 1 3 ? 26.588 3.435 1.530 1.00 0.00 ? 3 LYS B HE3 35 ATOM 48972 H HZ1 . LYS B 1 3 ? 28.591 4.888 0.573 1.00 0.00 ? 3 LYS B HZ1 35 ATOM 48973 H HZ2 . LYS B 1 3 ? 27.353 5.417 -0.452 1.00 0.00 ? 3 LYS B HZ2 35 ATOM 48974 H HZ3 . LYS B 1 3 ? 27.188 5.569 1.226 1.00 0.00 ? 3 LYS B HZ3 35 ATOM 48975 N N . LYS B 1 4 ? 27.180 1.549 -5.501 1.00 0.00 ? 4 LYS B N 35 ATOM 48976 C CA . LYS B 1 4 ? 26.385 0.909 -6.542 1.00 0.00 ? 4 LYS B CA 35 ATOM 48977 C C . LYS B 1 4 ? 25.741 -0.373 -6.025 1.00 0.00 ? 4 LYS B C 35 ATOM 48978 O O . LYS B 1 4 ? 24.711 -0.812 -6.536 1.00 0.00 ? 4 LYS B O 35 ATOM 48979 C CB . LYS B 1 4 ? 27.255 0.602 -7.762 1.00 0.00 ? 4 LYS B CB 35 ATOM 48980 C CG . LYS B 1 4 ? 27.778 1.844 -8.465 1.00 0.00 ? 4 LYS B CG 35 ATOM 48981 C CD . LYS B 1 4 ? 26.687 2.525 -9.276 1.00 0.00 ? 4 LYS B CD 35 ATOM 48982 C CE . LYS B 1 4 ? 26.274 3.849 -8.653 1.00 0.00 ? 4 LYS B CE 35 ATOM 48983 N NZ . LYS B 1 4 ? 27.097 4.982 -9.159 1.00 0.00 ? 4 LYS B NZ 35 ATOM 48984 H H . LYS B 1 4 ? 28.120 1.293 -5.391 1.00 0.00 ? 4 LYS B H 35 ATOM 48985 H HA . LYS B 1 4 ? 25.605 1.597 -6.831 1.00 0.00 ? 4 LYS B HA 35 ATOM 48986 H HB2 . LYS B 1 4 ? 28.102 0.010 -7.447 1.00 0.00 ? 4 LYS B HB2 35 ATOM 48987 H HB3 . LYS B 1 4 ? 26.673 0.032 -8.471 1.00 0.00 ? 4 LYS B HB3 35 ATOM 48988 H HG2 . LYS B 1 4 ? 28.147 2.537 -7.724 1.00 0.00 ? 4 LYS B HG2 35 ATOM 48989 H HG3 . LYS B 1 4 ? 28.582 1.559 -9.127 1.00 0.00 ? 4 LYS B HG3 35 ATOM 48990 H HD2 . LYS B 1 4 ? 27.055 2.709 -10.274 1.00 0.00 ? 4 LYS B HD2 35 ATOM 48991 H HD3 . LYS B 1 4 ? 25.826 1.875 -9.322 1.00 0.00 ? 4 LYS B HD3 35 ATOM 48992 H HE2 . LYS B 1 4 ? 25.237 4.035 -8.888 1.00 0.00 ? 4 LYS B HE2 35 ATOM 48993 H HE3 . LYS B 1 4 ? 26.392 3.780 -7.580 1.00 0.00 ? 4 LYS B HE3 35 ATOM 48994 H HZ1 . LYS B 1 4 ? 28.019 4.634 -9.493 1.00 0.00 ? 4 LYS B HZ1 35 ATOM 48995 H HZ2 . LYS B 1 4 ? 26.609 5.452 -9.948 1.00 0.00 ? 4 LYS B HZ2 35 ATOM 48996 H HZ3 . LYS B 1 4 ? 27.255 5.676 -8.401 1.00 0.00 ? 4 LYS B HZ3 35 ATOM 48997 N N . HIS B 1 5 ? 26.353 -0.969 -5.008 1.00 0.00 ? 5 HIS B N 35 ATOM 48998 C CA . HIS B 1 5 ? 25.834 -2.199 -4.421 1.00 0.00 ? 5 HIS B CA 35 ATOM 48999 C C . HIS B 1 5 ? 24.669 -1.898 -3.486 1.00 0.00 ? 5 HIS B C 35 ATOM 49000 O O . HIS B 1 5 ? 23.685 -2.637 -3.443 1.00 0.00 ? 5 HIS B O 35 ATOM 49001 C CB . HIS B 1 5 ? 26.940 -2.936 -3.661 1.00 0.00 ? 5 HIS B CB 35 ATOM 49002 C CG . HIS B 1 5 ? 27.773 -2.041 -2.797 1.00 0.00 ? 5 HIS B CG 35 ATOM 49003 N ND1 . HIS B 1 5 ? 29.106 -1.788 -3.043 1.00 0.00 ? 5 HIS B ND1 35 ATOM 49004 C CD2 . HIS B 1 5 ? 27.457 -1.336 -1.684 1.00 0.00 ? 5 HIS B CD2 35 ATOM 49005 C CE1 . HIS B 1 5 ? 29.575 -0.967 -2.117 1.00 0.00 ? 5 HIS B CE1 35 ATOM 49006 N NE2 . HIS B 1 5 ? 28.594 -0.679 -1.283 1.00 0.00 ? 5 HIS B NE2 35 ATOM 49007 H H . HIS B 1 5 ? 27.171 -0.572 -4.641 1.00 0.00 ? 5 HIS B H 35 ATOM 49008 H HA . HIS B 1 5 ? 25.481 -2.827 -5.226 1.00 0.00 ? 5 HIS B HA 35 ATOM 49009 H HB2 . HIS B 1 5 ? 26.491 -3.685 -3.026 1.00 0.00 ? 5 HIS B HB2 35 ATOM 49010 H HB3 . HIS B 1 5 ? 27.594 -3.418 -4.371 1.00 0.00 ? 5 HIS B HB3 35 ATOM 49011 H HD1 . HIS B 1 5 ? 29.633 -2.155 -3.784 1.00 0.00 ? 5 HIS B HD1 35 ATOM 49012 H HD2 . HIS B 1 5 ? 26.490 -1.298 -1.203 1.00 0.00 ? 5 HIS B HD2 35 ATOM 49013 H HE1 . HIS B 1 5 ? 30.587 -0.595 -2.056 1.00 0.00 ? 5 HIS B HE1 35 ATOM 49014 H HE2 . HIS B 1 5 ? 28.667 -0.090 -0.504 1.00 0.00 ? 5 HIS B HE2 35 ATOM 49015 N N . HIS B 1 6 ? 24.786 -0.805 -2.739 1.00 0.00 ? 6 HIS B N 35 ATOM 49016 C CA . HIS B 1 6 ? 23.743 -0.402 -1.804 1.00 0.00 ? 6 HIS B CA 35 ATOM 49017 C C . HIS B 1 6 ? 22.528 0.137 -2.549 1.00 0.00 ? 6 HIS B C 35 ATOM 49018 O O . HIS B 1 6 ? 21.389 -0.083 -2.139 1.00 0.00 ? 6 HIS B O 35 ATOM 49019 C CB . HIS B 1 6 ? 24.275 0.657 -0.836 1.00 0.00 ? 6 HIS B CB 35 ATOM 49020 C CG . HIS B 1 6 ? 24.680 0.101 0.493 1.00 0.00 ? 6 HIS B CG 35 ATOM 49021 N ND1 . HIS B 1 6 ? 25.025 -1.222 0.684 1.00 0.00 ? 6 HIS B ND1 35 ATOM 49022 C CD2 . HIS B 1 6 ? 24.798 0.695 1.704 1.00 0.00 ? 6 HIS B CD2 35 ATOM 49023 C CE1 . HIS B 1 6 ? 25.335 -1.416 1.952 1.00 0.00 ? 6 HIS B CE1 35 ATOM 49024 N NE2 . HIS B 1 6 ? 25.206 -0.269 2.592 1.00 0.00 ? 6 HIS B NE2 35 ATOM 49025 H H . HIS B 1 6 ? 25.593 -0.255 -2.820 1.00 0.00 ? 6 HIS B H 35 ATOM 49026 H HA . HIS B 1 6 ? 23.446 -1.275 -1.244 1.00 0.00 ? 6 HIS B HA 35 ATOM 49027 H HB2 . HIS B 1 6 ? 25.139 1.134 -1.274 1.00 0.00 ? 6 HIS B HB2 35 ATOM 49028 H HB3 . HIS B 1 6 ? 23.507 1.398 -0.667 1.00 0.00 ? 6 HIS B HB3 35 ATOM 49029 H HD1 . HIS B 1 6 ? 25.039 -1.915 -0.009 1.00 0.00 ? 6 HIS B HD1 35 ATOM 49030 H HD2 . HIS B 1 6 ? 24.606 1.735 1.930 1.00 0.00 ? 6 HIS B HD2 35 ATOM 49031 H HE1 . HIS B 1 6 ? 25.642 -2.354 2.392 1.00 0.00 ? 6 HIS B HE1 35 ATOM 49032 H HE2 . HIS B 1 6 ? 25.374 -0.131 3.548 1.00 0.00 ? 6 HIS B HE2 35 ATOM 49033 N N . GLU B 1 7 ? 22.775 0.841 -3.650 1.00 0.00 ? 7 GLU B N 35 ATOM 49034 C CA . GLU B 1 7 ? 21.695 1.403 -4.449 1.00 0.00 ? 7 GLU B CA 35 ATOM 49035 C C . GLU B 1 7 ? 20.921 0.295 -5.154 1.00 0.00 ? 7 GLU B C 35 ATOM 49036 O O . GLU B 1 7 ? 19.703 0.376 -5.309 1.00 0.00 ? 7 GLU B O 35 ATOM 49037 C CB . GLU B 1 7 ? 22.246 2.394 -5.476 1.00 0.00 ? 7 GLU B CB 35 ATOM 49038 C CG . GLU B 1 7 ? 23.009 1.733 -6.611 1.00 0.00 ? 7 GLU B CG 35 ATOM 49039 C CD . GLU B 1 7 ? 23.587 2.738 -7.589 1.00 0.00 ? 7 GLU B CD 35 ATOM 49040 O OE1 . GLU B 1 7 ? 23.860 3.883 -7.171 1.00 0.00 ? 7 GLU B OE1 35 ATOM 49041 O OE2 . GLU B 1 7 ? 23.765 2.380 -8.773 1.00 0.00 ? 7 GLU B OE2 35 ATOM 49042 H H . GLU B 1 7 ? 23.704 0.982 -3.931 1.00 0.00 ? 7 GLU B H 35 ATOM 49043 H HA . GLU B 1 7 ? 21.024 1.923 -3.781 1.00 0.00 ? 7 GLU B HA 35 ATOM 49044 H HB2 . GLU B 1 7 ? 21.424 2.951 -5.900 1.00 0.00 ? 7 GLU B HB2 35 ATOM 49045 H HB3 . GLU B 1 7 ? 22.913 3.080 -4.975 1.00 0.00 ? 7 GLU B HB3 35 ATOM 49046 H HG2 . GLU B 1 7 ? 23.819 1.154 -6.195 1.00 0.00 ? 7 GLU B HG2 35 ATOM 49047 H HG3 . GLU B 1 7 ? 22.337 1.078 -7.146 1.00 0.00 ? 7 GLU B HG3 35 ATOM 49048 N N . ASN B 1 8 ? 21.637 -0.744 -5.568 1.00 0.00 ? 8 ASN B N 35 ATOM 49049 C CA . ASN B 1 8 ? 21.017 -1.875 -6.244 1.00 0.00 ? 8 ASN B CA 35 ATOM 49050 C C . ASN B 1 8 ? 20.051 -2.587 -5.305 1.00 0.00 ? 8 ASN B C 35 ATOM 49051 O O . ASN B 1 8 ? 18.925 -2.915 -5.683 1.00 0.00 ? 8 ASN B O 35 ATOM 49052 C CB . ASN B 1 8 ? 22.085 -2.853 -6.739 1.00 0.00 ? 8 ASN B CB 35 ATOM 49053 C CG . ASN B 1 8 ? 21.509 -3.935 -7.630 1.00 0.00 ? 8 ASN B CG 35 ATOM 49054 O OD1 . ASN B 1 8 ? 20.432 -3.775 -8.205 1.00 0.00 ? 8 ASN B OD1 35 ATOM 49055 N ND2 . ASN B 1 8 ? 22.226 -5.046 -7.750 1.00 0.00 ? 8 ASN B ND2 35 ATOM 49056 H H . ASN B 1 8 ? 22.604 -0.754 -5.407 1.00 0.00 ? 8 ASN B H 35 ATOM 49057 H HA . ASN B 1 8 ? 20.466 -1.495 -7.091 1.00 0.00 ? 8 ASN B HA 35 ATOM 49058 H HB2 . ASN B 1 8 ? 22.830 -2.309 -7.300 1.00 0.00 ? 8 ASN B HB2 35 ATOM 49059 H HB3 . ASN B 1 8 ? 22.554 -3.324 -5.888 1.00 0.00 ? 8 ASN B HB3 35 ATOM 49060 H HD21 . ASN B 1 8 ? 23.075 -5.105 -7.263 1.00 0.00 ? 8 ASN B HD21 35 ATOM 49061 H HD22 . ASN B 1 8 ? 21.879 -5.763 -8.321 1.00 0.00 ? 8 ASN B HD22 35 ATOM 49062 N N . GLU B 1 9 ? 20.498 -2.815 -4.073 1.00 0.00 ? 9 GLU B N 35 ATOM 49063 C CA . GLU B 1 9 ? 19.667 -3.478 -3.079 1.00 0.00 ? 9 GLU B CA 35 ATOM 49064 C C . GLU B 1 9 ? 18.395 -2.681 -2.838 1.00 0.00 ? 9 GLU B C 35 ATOM 49065 O O . GLU B 1 9 ? 17.292 -3.223 -2.904 1.00 0.00 ? 9 GLU B O 35 ATOM 49066 C CB . GLU B 1 9 ? 20.435 -3.658 -1.768 1.00 0.00 ? 9 GLU B CB 35 ATOM 49067 C CG . GLU B 1 9 ? 19.648 -4.396 -0.697 1.00 0.00 ? 9 GLU B CG 35 ATOM 49068 C CD . GLU B 1 9 ? 20.288 -5.712 -0.307 1.00 0.00 ? 9 GLU B CD 35 ATOM 49069 O OE1 . GLU B 1 9 ? 21.358 -5.684 0.337 1.00 0.00 ? 9 GLU B OE1 35 ATOM 49070 O OE2 . GLU B 1 9 ? 19.719 -6.773 -0.644 1.00 0.00 ? 9 GLU B OE2 35 ATOM 49071 H H . GLU B 1 9 ? 21.402 -2.525 -3.826 1.00 0.00 ? 9 GLU B H 35 ATOM 49072 H HA . GLU B 1 9 ? 19.394 -4.448 -3.467 1.00 0.00 ? 9 GLU B HA 35 ATOM 49073 H HB2 . GLU B 1 9 ? 21.339 -4.215 -1.967 1.00 0.00 ? 9 GLU B HB2 35 ATOM 49074 H HB3 . GLU B 1 9 ? 20.700 -2.685 -1.383 1.00 0.00 ? 9 GLU B HB3 35 ATOM 49075 H HG2 . GLU B 1 9 ? 19.584 -3.769 0.180 1.00 0.00 ? 9 GLU B HG2 35 ATOM 49076 H HG3 . GLU B 1 9 ? 18.654 -4.592 -1.072 1.00 0.00 ? 9 GLU B HG3 35 ATOM 49077 N N . ILE B 1 10 ? 18.547 -1.386 -2.578 1.00 0.00 ? 10 ILE B N 35 ATOM 49078 C CA . ILE B 1 10 ? 17.391 -0.535 -2.355 1.00 0.00 ? 10 ILE B CA 35 ATOM 49079 C C . ILE B 1 10 ? 16.613 -0.333 -3.652 1.00 0.00 ? 10 ILE B C 35 ATOM 49080 O O . ILE B 1 10 ? 15.485 0.144 -3.641 1.00 0.00 ? 10 ILE B O 35 ATOM 49081 C CB . ILE B 1 10 ? 17.780 0.827 -1.752 1.00 0.00 ? 10 ILE B CB 35 ATOM 49082 C CG1 . ILE B 1 10 ? 18.644 1.633 -2.721 1.00 0.00 ? 10 ILE B CG1 35 ATOM 49083 C CG2 . ILE B 1 10 ? 18.510 0.622 -0.437 1.00 0.00 ? 10 ILE B CG2 35 ATOM 49084 C CD1 . ILE B 1 10 ? 19.198 2.902 -2.106 1.00 0.00 ? 10 ILE B CD1 35 ATOM 49085 H H . ILE B 1 10 ? 19.447 -0.997 -2.551 1.00 0.00 ? 10 ILE B H 35 ATOM 49086 H HA . ILE B 1 10 ? 16.749 -1.041 -1.648 1.00 0.00 ? 10 ILE B HA 35 ATOM 49087 H HB . ILE B 1 10 ? 16.874 1.376 -1.548 1.00 0.00 ? 10 ILE B HB 35 ATOM 49088 H HG12 . ILE B 1 10 ? 19.477 1.025 -3.041 1.00 0.00 ? 10 ILE B HG12 35 ATOM 49089 H HG13 . ILE B 1 10 ? 18.052 1.909 -3.580 1.00 0.00 ? 10 ILE B HG13 35 ATOM 49090 H HG21 . ILE B 1 10 ? 18.082 -0.220 0.085 1.00 0.00 ? 10 ILE B HG21 35 ATOM 49091 H HG22 . ILE B 1 10 ? 19.556 0.431 -0.632 1.00 0.00 ? 10 ILE B HG22 35 ATOM 49092 H HG23 . ILE B 1 10 ? 18.414 1.510 0.171 1.00 0.00 ? 10 ILE B HG23 35 ATOM 49093 H HD11 . ILE B 1 10 ? 18.930 2.939 -1.057 1.00 0.00 ? 10 ILE B HD11 35 ATOM 49094 H HD12 . ILE B 1 10 ? 20.273 2.910 -2.203 1.00 0.00 ? 10 ILE B HD12 35 ATOM 49095 H HD13 . ILE B 1 10 ? 18.783 3.759 -2.615 1.00 0.00 ? 10 ILE B HD13 35 ATOM 49096 N N . SER B 1 11 ? 17.202 -0.729 -4.775 1.00 0.00 ? 11 SER B N 35 ATOM 49097 C CA . SER B 1 11 ? 16.517 -0.612 -6.049 1.00 0.00 ? 11 SER B CA 35 ATOM 49098 C C . SER B 1 11 ? 15.417 -1.661 -6.112 1.00 0.00 ? 11 SER B C 35 ATOM 49099 O O . SER B 1 11 ? 14.311 -1.401 -6.594 1.00 0.00 ? 11 SER B O 35 ATOM 49100 C CB . SER B 1 11 ? 17.497 -0.795 -7.210 1.00 0.00 ? 11 SER B CB 35 ATOM 49101 O OG . SER B 1 11 ? 17.646 0.406 -7.947 1.00 0.00 ? 11 SER B OG 35 ATOM 49102 H H . SER B 1 11 ? 18.095 -1.127 -4.745 1.00 0.00 ? 11 SER B H 35 ATOM 49103 H HA . SER B 1 11 ? 16.071 0.370 -6.103 1.00 0.00 ? 11 SER B HA 35 ATOM 49104 H HB2 . SER B 1 11 ? 18.462 -1.086 -6.823 1.00 0.00 ? 11 SER B HB2 35 ATOM 49105 H HB3 . SER B 1 11 ? 17.128 -1.565 -7.872 1.00 0.00 ? 11 SER B HB3 35 ATOM 49106 H HG . SER B 1 11 ? 17.165 0.336 -8.775 1.00 0.00 ? 11 SER B HG 35 ATOM 49107 N N . HIS B 1 12 ? 15.726 -2.847 -5.590 1.00 0.00 ? 12 HIS B N 35 ATOM 49108 C CA . HIS B 1 12 ? 14.763 -3.935 -5.559 1.00 0.00 ? 12 HIS B CA 35 ATOM 49109 C C . HIS B 1 12 ? 13.695 -3.649 -4.496 1.00 0.00 ? 12 HIS B C 35 ATOM 49110 O O . HIS B 1 12 ? 12.506 -3.877 -4.723 1.00 0.00 ? 12 HIS B O 35 ATOM 49111 C CB . HIS B 1 12 ? 15.501 -5.273 -5.321 1.00 0.00 ? 12 HIS B CB 35 ATOM 49112 C CG . HIS B 1 12 ? 14.864 -6.203 -4.327 1.00 0.00 ? 12 HIS B CG 35 ATOM 49113 N ND1 . HIS B 1 12 ? 13.890 -7.119 -4.662 1.00 0.00 ? 12 HIS B ND1 35 ATOM 49114 C CD2 . HIS B 1 12 ? 15.077 -6.349 -3.000 1.00 0.00 ? 12 HIS B CD2 35 ATOM 49115 C CE1 . HIS B 1 12 ? 13.529 -7.789 -3.581 1.00 0.00 ? 12 HIS B CE1 35 ATOM 49116 N NE2 . HIS B 1 12 ? 14.235 -7.341 -2.560 1.00 0.00 ? 12 HIS B NE2 35 ATOM 49117 H H . HIS B 1 12 ? 16.621 -2.987 -5.200 1.00 0.00 ? 12 HIS B H 35 ATOM 49118 H HA . HIS B 1 12 ? 14.281 -3.969 -6.525 1.00 0.00 ? 12 HIS B HA 35 ATOM 49119 H HB2 . HIS B 1 12 ? 15.567 -5.802 -6.259 1.00 0.00 ? 12 HIS B HB2 35 ATOM 49120 H HB3 . HIS B 1 12 ? 16.501 -5.057 -4.974 1.00 0.00 ? 12 HIS B HB3 35 ATOM 49121 H HD1 . HIS B 1 12 ? 13.516 -7.257 -5.558 1.00 0.00 ? 12 HIS B HD1 35 ATOM 49122 H HD2 . HIS B 1 12 ? 15.779 -5.787 -2.401 1.00 0.00 ? 12 HIS B HD2 35 ATOM 49123 H HE1 . HIS B 1 12 ? 12.785 -8.570 -3.541 1.00 0.00 ? 12 HIS B HE1 35 ATOM 49124 H HE2 . HIS B 1 12 ? 14.168 -7.665 -1.638 1.00 0.00 ? 12 HIS B HE2 35 ATOM 49125 N N . HIS B 1 13 ? 14.123 -3.136 -3.341 1.00 0.00 ? 13 HIS B N 35 ATOM 49126 C CA . HIS B 1 13 ? 13.191 -2.812 -2.269 1.00 0.00 ? 13 HIS B CA 35 ATOM 49127 C C . HIS B 1 13 ? 12.213 -1.740 -2.723 1.00 0.00 ? 13 HIS B C 35 ATOM 49128 O O . HIS B 1 13 ? 11.065 -1.719 -2.293 1.00 0.00 ? 13 HIS B O 35 ATOM 49129 C CB . HIS B 1 13 ? 13.923 -2.311 -1.028 1.00 0.00 ? 13 HIS B CB 35 ATOM 49130 C CG . HIS B 1 13 ? 14.955 -3.245 -0.499 1.00 0.00 ? 13 HIS B CG 35 ATOM 49131 N ND1 . HIS B 1 13 ? 14.896 -4.615 -0.642 1.00 0.00 ? 13 HIS B ND1 35 ATOM 49132 C CD2 . HIS B 1 13 ? 16.083 -2.986 0.192 1.00 0.00 ? 13 HIS B CD2 35 ATOM 49133 C CE1 . HIS B 1 13 ? 15.951 -5.160 -0.058 1.00 0.00 ? 13 HIS B CE1 35 ATOM 49134 N NE2 . HIS B 1 13 ? 16.687 -4.190 0.455 1.00 0.00 ? 13 HIS B NE2 35 ATOM 49135 H H . HIS B 1 13 ? 15.081 -2.963 -3.214 1.00 0.00 ? 13 HIS B H 35 ATOM 49136 H HA . HIS B 1 13 ? 12.641 -3.707 -2.020 1.00 0.00 ? 13 HIS B HA 35 ATOM 49137 H HB2 . HIS B 1 13 ? 14.416 -1.384 -1.265 1.00 0.00 ? 13 HIS B HB2 35 ATOM 49138 H HB3 . HIS B 1 13 ? 13.201 -2.136 -0.244 1.00 0.00 ? 13 HIS B HB3 35 ATOM 49139 H HD1 . HIS B 1 13 ? 14.188 -5.113 -1.101 1.00 0.00 ? 13 HIS B HD1 35 ATOM 49140 H HD2 . HIS B 1 13 ? 16.435 -2.007 0.485 1.00 0.00 ? 13 HIS B HD2 35 ATOM 49141 H HE1 . HIS B 1 13 ? 16.172 -6.216 -0.011 1.00 0.00 ? 13 HIS B HE1 35 ATOM 49142 H HE2 . HIS B 1 13 ? 17.526 -4.314 0.944 1.00 0.00 ? 13 HIS B HE2 35 ATOM 49143 N N . ALA B 1 14 ? 12.679 -0.848 -3.593 1.00 0.00 ? 14 ALA B N 35 ATOM 49144 C CA . ALA B 1 14 ? 11.839 0.226 -4.102 1.00 0.00 ? 14 ALA B CA 35 ATOM 49145 C C . ALA B 1 14 ? 10.705 -0.345 -4.935 1.00 0.00 ? 14 ALA B C 35 ATOM 49146 O O . ALA B 1 14 ? 9.532 -0.083 -4.669 1.00 0.00 ? 14 ALA B O 35 ATOM 49147 C CB . ALA B 1 14 ? 12.664 1.207 -4.921 1.00 0.00 ? 14 ALA B CB 35 ATOM 49148 H H . ALA B 1 14 ? 13.608 -0.916 -3.900 1.00 0.00 ? 14 ALA B H 35 ATOM 49149 H HA . ALA B 1 14 ? 11.421 0.755 -3.256 1.00 0.00 ? 14 ALA B HA 35 ATOM 49150 H HB1 . ALA B 1 14 ? 13.266 0.663 -5.634 1.00 0.00 ? 14 ALA B HB1 35 ATOM 49151 H HB2 . ALA B 1 14 ? 13.308 1.773 -4.265 1.00 0.00 ? 14 ALA B HB2 35 ATOM 49152 H HB3 . ALA B 1 14 ? 12.004 1.881 -5.448 1.00 0.00 ? 14 ALA B HB3 35 ATOM 49153 N N . LYS B 1 15 ? 11.060 -1.146 -5.934 1.00 0.00 ? 15 LYS B N 35 ATOM 49154 C CA . LYS B 1 15 ? 10.061 -1.771 -6.787 1.00 0.00 ? 15 LYS B CA 35 ATOM 49155 C C . LYS B 1 15 ? 9.115 -2.634 -5.954 1.00 0.00 ? 15 LYS B C 35 ATOM 49156 O O . LYS B 1 15 ? 7.996 -2.930 -6.372 1.00 0.00 ? 15 LYS B O 35 ATOM 49157 C CB . LYS B 1 15 ? 10.735 -2.621 -7.866 1.00 0.00 ? 15 LYS B CB 35 ATOM 49158 C CG . LYS B 1 15 ? 10.775 -1.953 -9.230 1.00 0.00 ? 15 LYS B CG 35 ATOM 49159 C CD . LYS B 1 15 ? 10.696 -2.974 -10.353 1.00 0.00 ? 15 LYS B CD 35 ATOM 49160 C CE . LYS B 1 15 ? 12.030 -3.673 -10.564 1.00 0.00 ? 15 LYS B CE 35 ATOM 49161 N NZ . LYS B 1 15 ? 12.515 -3.531 -11.964 1.00 0.00 ? 15 LYS B NZ 35 ATOM 49162 H H . LYS B 1 15 ? 12.012 -1.331 -6.090 1.00 0.00 ? 15 LYS B H 35 ATOM 49163 H HA . LYS B 1 15 ? 9.490 -0.986 -7.261 1.00 0.00 ? 15 LYS B HA 35 ATOM 49164 H HB2 . LYS B 1 15 ? 11.750 -2.829 -7.561 1.00 0.00 ? 15 LYS B HB2 35 ATOM 49165 H HB3 . LYS B 1 15 ? 10.199 -3.553 -7.961 1.00 0.00 ? 15 LYS B HB3 35 ATOM 49166 H HG2 . LYS B 1 15 ? 9.938 -1.276 -9.314 1.00 0.00 ? 15 LYS B HG2 35 ATOM 49167 H HG3 . LYS B 1 15 ? 11.699 -1.400 -9.322 1.00 0.00 ? 15 LYS B HG3 35 ATOM 49168 H HD2 . LYS B 1 15 ? 9.950 -3.713 -10.102 1.00 0.00 ? 15 LYS B HD2 35 ATOM 49169 H HD3 . LYS B 1 15 ? 10.415 -2.471 -11.266 1.00 0.00 ? 15 LYS B HD3 35 ATOM 49170 H HE2 . LYS B 1 15 ? 12.758 -3.242 -9.894 1.00 0.00 ? 15 LYS B HE2 35 ATOM 49171 H HE3 . LYS B 1 15 ? 11.910 -4.723 -10.339 1.00 0.00 ? 15 LYS B HE3 35 ATOM 49172 H HZ1 . LYS B 1 15 ? 11.909 -2.866 -12.487 1.00 0.00 ? 15 LYS B HZ1 35 ATOM 49173 H HZ2 . LYS B 1 15 ? 13.491 -3.170 -11.969 1.00 0.00 ? 15 LYS B HZ2 35 ATOM 49174 H HZ3 . LYS B 1 15 ? 12.496 -4.453 -12.446 1.00 0.00 ? 15 LYS B HZ3 35 ATOM 49175 N N . GLU B 1 16 ? 9.577 -3.038 -4.769 1.00 0.00 ? 16 GLU B N 35 ATOM 49176 C CA . GLU B 1 16 ? 8.778 -3.868 -3.876 1.00 0.00 ? 16 GLU B CA 35 ATOM 49177 C C . GLU B 1 16 ? 7.708 -3.045 -3.162 1.00 0.00 ? 16 GLU B C 35 ATOM 49178 O O . GLU B 1 16 ? 6.567 -3.484 -3.032 1.00 0.00 ? 16 GLU B O 35 ATOM 49179 C CB . GLU B 1 16 ? 9.677 -4.556 -2.848 1.00 0.00 ? 16 GLU B CB 35 ATOM 49180 C CG . GLU B 1 16 ? 9.446 -6.055 -2.744 1.00 0.00 ? 16 GLU B CG 35 ATOM 49181 C CD . GLU B 1 16 ? 10.687 -6.861 -3.074 1.00 0.00 ? 16 GLU B CD 35 ATOM 49182 O OE1 . GLU B 1 16 ? 11.074 -6.896 -4.261 1.00 0.00 ? 16 GLU B OE1 35 ATOM 49183 O OE2 . GLU B 1 16 ? 11.273 -7.456 -2.145 1.00 0.00 ? 16 GLU B OE2 35 ATOM 49184 H H . GLU B 1 16 ? 10.479 -2.774 -4.490 1.00 0.00 ? 16 GLU B H 35 ATOM 49185 H HA . GLU B 1 16 ? 8.292 -4.623 -4.475 1.00 0.00 ? 16 GLU B HA 35 ATOM 49186 H HB2 . GLU B 1 16 ? 10.709 -4.391 -3.121 1.00 0.00 ? 16 GLU B HB2 35 ATOM 49187 H HB3 . GLU B 1 16 ? 9.497 -4.118 -1.877 1.00 0.00 ? 16 GLU B HB3 35 ATOM 49188 H HG2 . GLU B 1 16 ? 9.141 -6.290 -1.735 1.00 0.00 ? 16 GLU B HG2 35 ATOM 49189 H HG3 . GLU B 1 16 ? 8.661 -6.333 -3.431 1.00 0.00 ? 16 GLU B HG3 35 ATOM 49190 N N . ILE B 1 17 ? 8.079 -1.854 -2.693 1.00 0.00 ? 17 ILE B N 35 ATOM 49191 C CA . ILE B 1 17 ? 7.139 -0.990 -1.991 1.00 0.00 ? 17 ILE B CA 35 ATOM 49192 C C . ILE B 1 17 ? 6.100 -0.417 -2.956 1.00 0.00 ? 17 ILE B C 35 ATOM 49193 O O . ILE B 1 17 ? 4.973 -0.116 -2.566 1.00 0.00 ? 17 ILE B O 35 ATOM 49194 C CB . ILE B 1 17 ? 7.877 0.150 -1.241 1.00 0.00 ? 17 ILE B CB 35 ATOM 49195 C CG1 . ILE B 1 17 ? 8.216 1.322 -2.173 1.00 0.00 ? 17 ILE B CG1 35 ATOM 49196 C CG2 . ILE B 1 17 ? 9.147 -0.383 -0.599 1.00 0.00 ? 17 ILE B CG2 35 ATOM 49197 C CD1 . ILE B 1 17 ? 7.191 2.435 -2.142 1.00 0.00 ? 17 ILE B CD1 35 ATOM 49198 H H . ILE B 1 17 ? 9.005 -1.551 -2.819 1.00 0.00 ? 17 ILE B H 35 ATOM 49199 H HA . ILE B 1 17 ? 6.621 -1.594 -1.255 1.00 0.00 ? 17 ILE B HA 35 ATOM 49200 H HB . ILE B 1 17 ? 7.233 0.501 -0.447 1.00 0.00 ? 17 ILE B HB 35 ATOM 49201 H HG12 . ILE B 1 17 ? 9.167 1.741 -1.884 1.00 0.00 ? 17 ILE B HG12 35 ATOM 49202 H HG13 . ILE B 1 17 ? 8.282 0.958 -3.188 1.00 0.00 ? 17 ILE B HG13 35 ATOM 49203 H HG21 . ILE B 1 17 ? 9.217 -1.447 -0.764 1.00 0.00 ? 17 ILE B HG21 35 ATOM 49204 H HG22 . ILE B 1 17 ? 10.004 0.106 -1.036 1.00 0.00 ? 17 ILE B HG22 35 ATOM 49205 H HG23 . ILE B 1 17 ? 9.121 -0.184 0.458 1.00 0.00 ? 17 ILE B HG23 35 ATOM 49206 H HD11 . ILE B 1 17 ? 6.910 2.637 -1.119 1.00 0.00 ? 17 ILE B HD11 35 ATOM 49207 H HD12 . ILE B 1 17 ? 7.614 3.326 -2.583 1.00 0.00 ? 17 ILE B HD12 35 ATOM 49208 H HD13 . ILE B 1 17 ? 6.318 2.136 -2.703 1.00 0.00 ? 17 ILE B HD13 35 ATOM 49209 N N . GLU B 1 18 ? 6.491 -0.278 -4.220 1.00 0.00 ? 18 GLU B N 35 ATOM 49210 C CA . GLU B 1 18 ? 5.598 0.249 -5.243 1.00 0.00 ? 18 GLU B CA 35 ATOM 49211 C C . GLU B 1 18 ? 4.572 -0.804 -5.646 1.00 0.00 ? 18 GLU B C 35 ATOM 49212 O O . GLU B 1 18 ? 3.401 -0.495 -5.865 1.00 0.00 ? 18 GLU B O 35 ATOM 49213 C CB . GLU B 1 18 ? 6.395 0.699 -6.468 1.00 0.00 ? 18 GLU B CB 35 ATOM 49214 C CG . GLU B 1 18 ? 5.524 1.108 -7.645 1.00 0.00 ? 18 GLU B CG 35 ATOM 49215 C CD . GLU B 1 18 ? 5.155 -0.065 -8.531 1.00 0.00 ? 18 GLU B CD 35 ATOM 49216 O OE1 . GLU B 1 18 ? 5.954 -0.407 -9.427 1.00 0.00 ? 18 GLU B OE1 35 ATOM 49217 O OE2 . GLU B 1 18 ? 4.065 -0.642 -8.329 1.00 0.00 ? 18 GLU B OE2 35 ATOM 49218 H H . GLU B 1 18 ? 7.402 -0.541 -4.471 1.00 0.00 ? 18 GLU B H 35 ATOM 49219 H HA . GLU B 1 18 ? 5.079 1.100 -4.827 1.00 0.00 ? 18 GLU B HA 35 ATOM 49220 H HB2 . GLU B 1 18 ? 7.009 1.544 -6.193 1.00 0.00 ? 18 GLU B HB2 35 ATOM 49221 H HB3 . GLU B 1 18 ? 7.034 -0.112 -6.785 1.00 0.00 ? 18 GLU B HB3 35 ATOM 49222 H HG2 . GLU B 1 18 ? 4.616 1.553 -7.266 1.00 0.00 ? 18 GLU B HG2 35 ATOM 49223 H HG3 . GLU B 1 18 ? 6.060 1.834 -8.238 1.00 0.00 ? 18 GLU B HG3 35 ATOM 49224 N N . ARG B 1 19 ? 5.021 -2.052 -5.735 1.00 0.00 ? 19 ARG B N 35 ATOM 49225 C CA . ARG B 1 19 ? 4.144 -3.156 -6.103 1.00 0.00 ? 19 ARG B CA 35 ATOM 49226 C C . ARG B 1 19 ? 3.092 -3.385 -5.023 1.00 0.00 ? 19 ARG B C 35 ATOM 49227 O O . ARG B 1 19 ? 1.911 -3.572 -5.319 1.00 0.00 ? 19 ARG B O 35 ATOM 49228 C CB . ARG B 1 19 ? 4.959 -4.433 -6.320 1.00 0.00 ? 19 ARG B CB 35 ATOM 49229 C CG . ARG B 1 19 ? 4.109 -5.650 -6.645 1.00 0.00 ? 19 ARG B CG 35 ATOM 49230 C CD . ARG B 1 19 ? 4.907 -6.937 -6.517 1.00 0.00 ? 19 ARG B CD 35 ATOM 49231 N NE . ARG B 1 19 ? 4.320 -8.026 -7.291 1.00 0.00 ? 19 ARG B NE 35 ATOM 49232 C CZ . ARG B 1 19 ? 3.296 -8.761 -6.867 1.00 0.00 ? 19 ARG B CZ 35 ATOM 49233 N NH1 . ARG B 1 19 ? 2.751 -8.522 -5.683 1.00 0.00 ? 19 ARG B NH1 35 ATOM 49234 N NH2 . ARG B 1 19 ? 2.817 -9.735 -7.628 1.00 0.00 ? 19 ARG B NH2 35 ATOM 49235 H H . ARG B 1 19 ? 5.965 -2.235 -5.542 1.00 0.00 ? 19 ARG B H 35 ATOM 49236 H HA . ARG B 1 19 ? 3.647 -2.893 -7.024 1.00 0.00 ? 19 ARG B HA 35 ATOM 49237 H HB2 . ARG B 1 19 ? 5.646 -4.272 -7.137 1.00 0.00 ? 19 ARG B HB2 35 ATOM 49238 H HB3 . ARG B 1 19 ? 5.523 -4.643 -5.423 1.00 0.00 ? 19 ARG B HB3 35 ATOM 49239 H HG2 . ARG B 1 19 ? 3.274 -5.687 -5.960 1.00 0.00 ? 19 ARG B HG2 35 ATOM 49240 H HG3 . ARG B 1 19 ? 3.744 -5.562 -7.657 1.00 0.00 ? 19 ARG B HG3 35 ATOM 49241 H HD2 . ARG B 1 19 ? 5.912 -6.759 -6.871 1.00 0.00 ? 19 ARG B HD2 35 ATOM 49242 H HD3 . ARG B 1 19 ? 4.940 -7.224 -5.476 1.00 0.00 ? 19 ARG B HD3 35 ATOM 49243 H HE . ARG B 1 19 ? 4.707 -8.219 -8.170 1.00 0.00 ? 19 ARG B HE 35 ATOM 49244 H HH11 . ARG B 1 19 ? 3.110 -7.788 -5.106 1.00 0.00 ? 19 ARG B HH11 35 ATOM 49245 H HH12 . ARG B 1 19 ? 1.981 -9.076 -5.365 1.00 0.00 ? 19 ARG B HH12 35 ATOM 49246 H HH21 . ARG B 1 19 ? 3.226 -9.918 -8.522 1.00 0.00 ? 19 ARG B HH21 35 ATOM 49247 H HH22 . ARG B 1 19 ? 2.048 -10.288 -7.308 1.00 0.00 ? 19 ARG B HH22 35 ATOM 49248 N N . LEU B 1 20 ? 3.529 -3.358 -3.767 1.00 0.00 ? 20 LEU B N 35 ATOM 49249 C CA . LEU B 1 20 ? 2.624 -3.553 -2.645 1.00 0.00 ? 20 LEU B CA 35 ATOM 49250 C C . LEU B 1 20 ? 1.604 -2.421 -2.591 1.00 0.00 ? 20 LEU B C 35 ATOM 49251 O O . LEU B 1 20 ? 0.434 -2.637 -2.273 1.00 0.00 ? 20 LEU B O 35 ATOM 49252 C CB . LEU B 1 20 ? 3.412 -3.624 -1.335 1.00 0.00 ? 20 LEU B CB 35 ATOM 49253 C CG . LEU B 1 20 ? 3.040 -4.789 -0.413 1.00 0.00 ? 20 LEU B CG 35 ATOM 49254 C CD1 . LEU B 1 20 ? 1.530 -4.948 -0.326 1.00 0.00 ? 20 LEU B CD1 35 ATOM 49255 C CD2 . LEU B 1 20 ? 3.686 -6.077 -0.900 1.00 0.00 ? 20 LEU B CD2 35 ATOM 49256 H H . LEU B 1 20 ? 4.480 -3.196 -3.590 1.00 0.00 ? 20 LEU B H 35 ATOM 49257 H HA . LEU B 1 20 ? 2.103 -4.487 -2.795 1.00 0.00 ? 20 LEU B HA 35 ATOM 49258 H HB2 . LEU B 1 20 ? 4.461 -3.706 -1.578 1.00 0.00 ? 20 LEU B HB2 35 ATOM 49259 H HB3 . LEU B 1 20 ? 3.258 -2.703 -0.796 1.00 0.00 ? 20 LEU B HB3 35 ATOM 49260 H HG . LEU B 1 20 ? 3.411 -4.584 0.581 1.00 0.00 ? 20 LEU B HG 35 ATOM 49261 H HD11 . LEU B 1 20 ? 1.052 -4.078 -0.751 1.00 0.00 ? 20 LEU B HD11 35 ATOM 49262 H HD12 . LEU B 1 20 ? 1.228 -5.828 -0.875 1.00 0.00 ? 20 LEU B HD12 35 ATOM 49263 H HD13 . LEU B 1 20 ? 1.238 -5.050 0.708 1.00 0.00 ? 20 LEU B HD13 35 ATOM 49264 H HD21 . LEU B 1 20 ? 3.710 -6.082 -1.979 1.00 0.00 ? 20 LEU B HD21 35 ATOM 49265 H HD22 . LEU B 1 20 ? 4.694 -6.142 -0.518 1.00 0.00 ? 20 LEU B HD22 35 ATOM 49266 H HD23 . LEU B 1 20 ? 3.112 -6.922 -0.549 1.00 0.00 ? 20 LEU B HD23 35 ATOM 49267 N N . GLN B 1 21 ? 2.057 -1.215 -2.920 1.00 0.00 ? 21 GLN B N 35 ATOM 49268 C CA . GLN B 1 21 ? 1.186 -0.048 -2.926 1.00 0.00 ? 21 GLN B CA 35 ATOM 49269 C C . GLN B 1 21 ? 0.146 -0.168 -4.032 1.00 0.00 ? 21 GLN B C 35 ATOM 49270 O O . GLN B 1 21 ? -0.965 0.349 -3.916 1.00 0.00 ? 21 GLN B O 35 ATOM 49271 C CB . GLN B 1 21 ? 2.007 1.229 -3.119 1.00 0.00 ? 21 GLN B CB 35 ATOM 49272 C CG . GLN B 1 21 ? 2.607 1.767 -1.831 1.00 0.00 ? 21 GLN B CG 35 ATOM 49273 C CD . GLN B 1 21 ? 3.316 3.091 -2.027 1.00 0.00 ? 21 GLN B CD 35 ATOM 49274 O OE1 . GLN B 1 21 ? 3.163 4.015 -1.228 1.00 0.00 ? 21 GLN B OE1 35 ATOM 49275 N NE2 . GLN B 1 21 ? 4.099 3.190 -3.095 1.00 0.00 ? 21 GLN B NE2 35 ATOM 49276 H H . GLN B 1 21 ? 2.997 -1.111 -3.175 1.00 0.00 ? 21 GLN B H 35 ATOM 49277 H HA . GLN B 1 21 ? 0.681 -0.003 -1.972 1.00 0.00 ? 21 GLN B HA 35 ATOM 49278 H HB2 . GLN B 1 21 ? 2.812 1.024 -3.808 1.00 0.00 ? 21 GLN B HB2 35 ATOM 49279 H HB3 . GLN B 1 21 ? 1.370 1.992 -3.541 1.00 0.00 ? 21 GLN B HB3 35 ATOM 49280 H HG2 . GLN B 1 21 ? 1.814 1.904 -1.110 1.00 0.00 ? 21 GLN B HG2 35 ATOM 49281 H HG3 . GLN B 1 21 ? 3.316 1.046 -1.451 1.00 0.00 ? 21 GLN B HG3 35 ATOM 49282 H HE21 . GLN B 1 21 ? 4.174 2.414 -3.687 1.00 0.00 ? 21 GLN B HE21 35 ATOM 49283 H HE22 . GLN B 1 21 ? 4.572 4.036 -3.246 1.00 0.00 ? 21 GLN B HE22 35 ATOM 49284 N N . LYS B 1 22 ? 0.514 -0.862 -5.104 1.00 0.00 ? 22 LYS B N 35 ATOM 49285 C CA . LYS B 1 22 ? -0.387 -1.061 -6.232 1.00 0.00 ? 22 LYS B CA 35 ATOM 49286 C C . LYS B 1 22 ? -1.579 -1.913 -5.816 1.00 0.00 ? 22 LYS B C 35 ATOM 49287 O O . LYS B 1 22 ? -2.727 -1.588 -6.122 1.00 0.00 ? 22 LYS B O 35 ATOM 49288 C CB . LYS B 1 22 ? 0.354 -1.727 -7.393 1.00 0.00 ? 22 LYS B CB 35 ATOM 49289 C CG . LYS B 1 22 ? -0.547 -2.088 -8.563 1.00 0.00 ? 22 LYS B CG 35 ATOM 49290 C CD . LYS B 1 22 ? -0.945 -0.856 -9.359 1.00 0.00 ? 22 LYS B CD 35 ATOM 49291 C CE . LYS B 1 22 ? -2.341 -0.381 -8.990 1.00 0.00 ? 22 LYS B CE 35 ATOM 49292 N NZ . LYS B 1 22 ? -3.389 -1.344 -9.426 1.00 0.00 ? 22 LYS B NZ 35 ATOM 49293 H H . LYS B 1 22 ? 1.412 -1.254 -5.135 1.00 0.00 ? 22 LYS B H 35 ATOM 49294 H HA . LYS B 1 22 ? -0.742 -0.092 -6.549 1.00 0.00 ? 22 LYS B HA 35 ATOM 49295 H HB2 . LYS B 1 22 ? 1.119 -1.054 -7.750 1.00 0.00 ? 22 LYS B HB2 35 ATOM 49296 H HB3 . LYS B 1 22 ? 0.822 -2.632 -7.035 1.00 0.00 ? 22 LYS B HB3 35 ATOM 49297 H HG2 . LYS B 1 22 ? -0.021 -2.770 -9.213 1.00 0.00 ? 22 LYS B HG2 35 ATOM 49298 H HG3 . LYS B 1 22 ? -1.440 -2.565 -8.184 1.00 0.00 ? 22 LYS B HG3 35 ATOM 49299 H HD2 . LYS B 1 22 ? -0.241 -0.064 -9.154 1.00 0.00 ? 22 LYS B HD2 35 ATOM 49300 H HD3 . LYS B 1 22 ? -0.923 -1.097 -10.412 1.00 0.00 ? 22 LYS B HD3 35 ATOM 49301 H HE2 . LYS B 1 22 ? -2.396 -0.265 -7.917 1.00 0.00 ? 22 LYS B HE2 35 ATOM 49302 H HE3 . LYS B 1 22 ? -2.521 0.573 -9.463 1.00 0.00 ? 22 LYS B HE3 35 ATOM 49303 H HZ1 . LYS B 1 22 ? -3.188 -2.290 -9.045 1.00 0.00 ? 22 LYS B HZ1 35 ATOM 49304 H HZ2 . LYS B 1 22 ? -4.322 -1.036 -9.084 1.00 0.00 ? 22 LYS B HZ2 35 ATOM 49305 H HZ3 . LYS B 1 22 ? -3.413 -1.400 -10.465 1.00 0.00 ? 22 LYS B HZ3 35 ATOM 49306 N N . GLU B 1 23 ? -1.300 -3.005 -5.110 1.00 0.00 ? 23 GLU B N 35 ATOM 49307 C CA . GLU B 1 23 ? -2.350 -3.902 -4.645 1.00 0.00 ? 23 GLU B CA 35 ATOM 49308 C C . GLU B 1 23 ? -3.330 -3.163 -3.739 1.00 0.00 ? 23 GLU B C 35 ATOM 49309 O O . GLU B 1 23 ? -4.550 -3.273 -3.898 1.00 0.00 ? 23 GLU B O 35 ATOM 49310 C CB . GLU B 1 23 ? -1.741 -5.090 -3.896 1.00 0.00 ? 23 GLU B CB 35 ATOM 49311 C CG . GLU B 1 23 ? -2.244 -6.439 -4.383 1.00 0.00 ? 23 GLU B CG 35 ATOM 49312 C CD . GLU B 1 23 ? -1.269 -7.120 -5.322 1.00 0.00 ? 23 GLU B CD 35 ATOM 49313 O OE1 . GLU B 1 23 ? -0.257 -6.485 -5.690 1.00 0.00 ? 23 GLU B OE1 35 ATOM 49314 O OE2 . GLU B 1 23 ? -1.514 -8.288 -5.689 1.00 0.00 ? 23 GLU B OE2 35 ATOM 49315 H H . GLU B 1 23 ? -0.363 -3.209 -4.895 1.00 0.00 ? 23 GLU B H 35 ATOM 49316 H HA . GLU B 1 23 ? -2.882 -4.268 -5.511 1.00 0.00 ? 23 GLU B HA 35 ATOM 49317 H HB2 . GLU B 1 23 ? -0.668 -5.064 -4.017 1.00 0.00 ? 23 GLU B HB2 35 ATOM 49318 H HB3 . GLU B 1 23 ? -1.979 -4.998 -2.847 1.00 0.00 ? 23 GLU B HB3 35 ATOM 49319 H HG2 . GLU B 1 23 ? -2.402 -7.079 -3.528 1.00 0.00 ? 23 GLU B HG2 35 ATOM 49320 H HG3 . GLU B 1 23 ? -3.180 -6.294 -4.902 1.00 0.00 ? 23 GLU B HG3 35 ATOM 49321 N N . ILE B 1 24 ? -2.792 -2.400 -2.791 1.00 0.00 ? 24 ILE B N 35 ATOM 49322 C CA . ILE B 1 24 ? -3.634 -1.640 -1.872 1.00 0.00 ? 24 ILE B CA 35 ATOM 49323 C C . ILE B 1 24 ? -4.531 -0.688 -2.665 1.00 0.00 ? 24 ILE B C 35 ATOM 49324 O O . ILE B 1 24 ? -5.694 -0.476 -2.323 1.00 0.00 ? 24 ILE B O 35 ATOM 49325 C CB . ILE B 1 24 ? -2.805 -0.862 -0.790 1.00 0.00 ? 24 ILE B CB 35 ATOM 49326 C CG1 . ILE B 1 24 ? -2.549 0.601 -1.184 1.00 0.00 ? 24 ILE B CG1 35 ATOM 49327 C CG2 . ILE B 1 24 ? -1.483 -1.559 -0.507 1.00 0.00 ? 24 ILE B CG2 35 ATOM 49328 C CD1 . ILE B 1 24 ? -3.731 1.504 -0.903 1.00 0.00 ? 24 ILE B CD1 35 ATOM 49329 H H . ILE B 1 24 ? -1.817 -2.344 -2.720 1.00 0.00 ? 24 ILE B H 35 ATOM 49330 H HA . ILE B 1 24 ? -4.268 -2.351 -1.356 1.00 0.00 ? 24 ILE B HA 35 ATOM 49331 H HB . ILE B 1 24 ? -3.378 -0.876 0.126 1.00 0.00 ? 24 ILE B HB 35 ATOM 49332 H HG12 . ILE B 1 24 ? -1.704 0.976 -0.626 1.00 0.00 ? 24 ILE B HG12 35 ATOM 49333 H HG13 . ILE B 1 24 ? -2.332 0.652 -2.240 1.00 0.00 ? 24 ILE B HG13 35 ATOM 49334 H HG21 . ILE B 1 24 ? -1.584 -2.617 -0.695 1.00 0.00 ? 24 ILE B HG21 35 ATOM 49335 H HG22 . ILE B 1 24 ? -0.716 -1.152 -1.149 1.00 0.00 ? 24 ILE B HG22 35 ATOM 49336 H HG23 . ILE B 1 24 ? -1.207 -1.402 0.523 1.00 0.00 ? 24 ILE B HG23 35 ATOM 49337 H HD11 . ILE B 1 24 ? -4.446 0.979 -0.282 1.00 0.00 ? 24 ILE B HD11 35 ATOM 49338 H HD12 . ILE B 1 24 ? -3.393 2.393 -0.391 1.00 0.00 ? 24 ILE B HD12 35 ATOM 49339 H HD13 . ILE B 1 24 ? -4.201 1.782 -1.835 1.00 0.00 ? 24 ILE B HD13 35 ATOM 49340 N N . GLU B 1 25 ? -3.970 -0.127 -3.734 1.00 0.00 ? 25 GLU B N 35 ATOM 49341 C CA . GLU B 1 25 ? -4.701 0.795 -4.593 1.00 0.00 ? 25 GLU B CA 35 ATOM 49342 C C . GLU B 1 25 ? -5.911 0.103 -5.204 1.00 0.00 ? 25 GLU B C 35 ATOM 49343 O O . GLU B 1 25 ? -6.988 0.688 -5.302 1.00 0.00 ? 25 GLU B O 35 ATOM 49344 C CB . GLU B 1 25 ? -3.790 1.331 -5.699 1.00 0.00 ? 25 GLU B CB 35 ATOM 49345 C CG . GLU B 1 25 ? -3.047 2.599 -5.314 1.00 0.00 ? 25 GLU B CG 35 ATOM 49346 C CD . GLU B 1 25 ? -2.660 3.436 -6.517 1.00 0.00 ? 25 GLU B CD 35 ATOM 49347 O OE1 . GLU B 1 25 ? -3.524 3.655 -7.391 1.00 0.00 ? 25 GLU B OE1 35 ATOM 49348 O OE2 . GLU B 1 25 ? -1.491 3.874 -6.584 1.00 0.00 ? 25 GLU B OE2 35 ATOM 49349 H H . GLU B 1 25 ? -3.040 -0.344 -3.954 1.00 0.00 ? 25 GLU B H 35 ATOM 49350 H HA . GLU B 1 25 ? -5.040 1.620 -3.984 1.00 0.00 ? 25 GLU B HA 35 ATOM 49351 H HB2 . GLU B 1 25 ? -3.062 0.574 -5.947 1.00 0.00 ? 25 GLU B HB2 35 ATOM 49352 H HB3 . GLU B 1 25 ? -4.390 1.542 -6.572 1.00 0.00 ? 25 GLU B HB3 35 ATOM 49353 H HG2 . GLU B 1 25 ? -3.680 3.192 -4.671 1.00 0.00 ? 25 GLU B HG2 35 ATOM 49354 H HG3 . GLU B 1 25 ? -2.148 2.326 -4.779 1.00 0.00 ? 25 GLU B HG3 35 ATOM 49355 N N . ARG B 1 26 ? -5.728 -1.153 -5.602 1.00 0.00 ? 26 ARG B N 35 ATOM 49356 C CA . ARG B 1 26 ? -6.813 -1.927 -6.189 1.00 0.00 ? 26 ARG B CA 35 ATOM 49357 C C . ARG B 1 26 ? -7.992 -1.971 -5.228 1.00 0.00 ? 26 ARG B C 35 ATOM 49358 O O . ARG B 1 26 ? -9.140 -1.716 -5.611 1.00 0.00 ? 26 ARG B O 35 ATOM 49359 C CB . ARG B 1 26 ? -6.343 -3.347 -6.512 1.00 0.00 ? 26 ARG B CB 35 ATOM 49360 C CG . ARG B 1 26 ? -7.447 -4.247 -7.046 1.00 0.00 ? 26 ARG B CG 35 ATOM 49361 C CD . ARG B 1 26 ? -7.951 -5.202 -5.978 1.00 0.00 ? 26 ARG B CD 35 ATOM 49362 N NE . ARG B 1 26 ? -7.286 -6.500 -6.046 1.00 0.00 ? 26 ARG B NE 35 ATOM 49363 C CZ . ARG B 1 26 ? -7.628 -7.460 -6.899 1.00 0.00 ? 26 ARG B CZ 35 ATOM 49364 N NH1 . ARG B 1 26 ? -8.624 -7.267 -7.753 1.00 0.00 ? 26 ARG B NH1 35 ATOM 49365 N NH2 . ARG B 1 26 ? -6.975 -8.614 -6.900 1.00 0.00 ? 26 ARG B NH2 35 ATOM 49366 H H . ARG B 1 26 ? -4.848 -1.569 -5.489 1.00 0.00 ? 26 ARG B H 35 ATOM 49367 H HA . ARG B 1 26 ? -7.120 -1.438 -7.101 1.00 0.00 ? 26 ARG B HA 35 ATOM 49368 H HB2 . ARG B 1 26 ? -5.561 -3.295 -7.254 1.00 0.00 ? 26 ARG B HB2 35 ATOM 49369 H HB3 . ARG B 1 26 ? -5.946 -3.796 -5.614 1.00 0.00 ? 26 ARG B HB3 35 ATOM 49370 H HG2 . ARG B 1 26 ? -8.269 -3.632 -7.382 1.00 0.00 ? 26 ARG B HG2 35 ATOM 49371 H HG3 . ARG B 1 26 ? -7.061 -4.819 -7.877 1.00 0.00 ? 26 ARG B HG3 35 ATOM 49372 H HD2 . ARG B 1 26 ? -7.769 -4.766 -5.007 1.00 0.00 ? 26 ARG B HD2 35 ATOM 49373 H HD3 . ARG B 1 26 ? -9.014 -5.345 -6.113 1.00 0.00 ? 26 ARG B HD3 35 ATOM 49374 H HE . ARG B 1 26 ? -6.546 -6.664 -5.424 1.00 0.00 ? 26 ARG B HE 35 ATOM 49375 H HH11 . ARG B 1 26 ? -9.120 -6.398 -7.754 1.00 0.00 ? 26 ARG B HH11 35 ATOM 49376 H HH12 . ARG B 1 26 ? -8.882 -7.990 -8.394 1.00 0.00 ? 26 ARG B HH12 35 ATOM 49377 H HH21 . ARG B 1 26 ? -6.223 -8.762 -6.258 1.00 0.00 ? 26 ARG B HH21 35 ATOM 49378 H HH22 . ARG B 1 26 ? -7.234 -9.335 -7.543 1.00 0.00 ? 26 ARG B HH22 35 ATOM 49379 N N . HIS B 1 27 ? -7.702 -2.270 -3.964 1.00 0.00 ? 27 HIS B N 35 ATOM 49380 C CA . HIS B 1 27 ? -8.736 -2.317 -2.949 1.00 0.00 ? 27 HIS B CA 35 ATOM 49381 C C . HIS B 1 27 ? -9.302 -0.921 -2.731 1.00 0.00 ? 27 HIS B C 35 ATOM 49382 O O . HIS B 1 27 ? -10.447 -0.762 -2.314 1.00 0.00 ? 27 HIS B O 35 ATOM 49383 C CB . HIS B 1 27 ? -8.173 -2.873 -1.641 1.00 0.00 ? 27 HIS B CB 35 ATOM 49384 C CG . HIS B 1 27 ? -8.906 -4.078 -1.139 1.00 0.00 ? 27 HIS B CG 35 ATOM 49385 N ND1 . HIS B 1 27 ? -10.043 -3.999 -0.361 1.00 0.00 ? 27 HIS B ND1 35 ATOM 49386 C CD2 . HIS B 1 27 ? -8.661 -5.399 -1.311 1.00 0.00 ? 27 HIS B CD2 35 ATOM 49387 C CE1 . HIS B 1 27 ? -10.464 -5.219 -0.074 1.00 0.00 ? 27 HIS B CE1 35 ATOM 49388 N NE2 . HIS B 1 27 ? -9.643 -6.085 -0.639 1.00 0.00 ? 27 HIS B NE2 35 ATOM 49389 H H . HIS B 1 27 ? -6.767 -2.440 -3.707 1.00 0.00 ? 27 HIS B H 35 ATOM 49390 H HA . HIS B 1 27 ? -9.523 -2.965 -3.304 1.00 0.00 ? 27 HIS B HA 35 ATOM 49391 H HB2 . HIS B 1 27 ? -7.141 -3.152 -1.791 1.00 0.00 ? 27 HIS B HB2 35 ATOM 49392 H HB3 . HIS B 1 27 ? -8.227 -2.109 -0.880 1.00 0.00 ? 27 HIS B HB3 35 ATOM 49393 H HD1 . HIS B 1 27 ? -10.476 -3.172 -0.063 1.00 0.00 ? 27 HIS B HD1 35 ATOM 49394 H HD2 . HIS B 1 27 ? -7.844 -5.832 -1.871 1.00 0.00 ? 27 HIS B HD2 35 ATOM 49395 H HE1 . HIS B 1 27 ? -11.331 -5.465 0.519 1.00 0.00 ? 27 HIS B HE1 35 ATOM 49396 H HE2 . HIS B 1 27 ? -9.724 -7.060 -0.585 1.00 0.00 ? 27 HIS B HE2 35 ATOM 49397 N N . LYS B 1 28 ? -8.483 0.091 -3.022 1.00 0.00 ? 28 LYS B N 35 ATOM 49398 C CA . LYS B 1 28 ? -8.892 1.479 -2.865 1.00 0.00 ? 28 LYS B CA 35 ATOM 49399 C C . LYS B 1 28 ? -9.896 1.875 -3.942 1.00 0.00 ? 28 LYS B C 35 ATOM 49400 O O . LYS B 1 28 ? -10.716 2.770 -3.741 1.00 0.00 ? 28 LYS B O 35 ATOM 49401 C CB . LYS B 1 28 ? -7.673 2.402 -2.925 1.00 0.00 ? 28 LYS B CB 35 ATOM 49402 C CG . LYS B 1 28 ? -7.842 3.686 -2.131 1.00 0.00 ? 28 LYS B CG 35 ATOM 49403 C CD . LYS B 1 28 ? -7.315 4.888 -2.897 1.00 0.00 ? 28 LYS B CD 35 ATOM 49404 C CE . LYS B 1 28 ? -5.819 4.777 -3.147 1.00 0.00 ? 28 LYS B CE 35 ATOM 49405 N NZ . LYS B 1 28 ? -5.342 5.792 -4.126 1.00 0.00 ? 28 LYS B NZ 35 ATOM 49406 H H . LYS B 1 28 ? -7.583 -0.102 -3.353 1.00 0.00 ? 28 LYS B H 35 ATOM 49407 H HA . LYS B 1 28 ? -9.358 1.577 -1.902 1.00 0.00 ? 28 LYS B HA 35 ATOM 49408 H HB2 . LYS B 1 28 ? -6.816 1.873 -2.534 1.00 0.00 ? 28 LYS B HB2 35 ATOM 49409 H HB3 . LYS B 1 28 ? -7.484 2.663 -3.956 1.00 0.00 ? 28 LYS B HB3 35 ATOM 49410 H HG2 . LYS B 1 28 ? -8.892 3.836 -1.927 1.00 0.00 ? 28 LYS B HG2 35 ATOM 49411 H HG3 . LYS B 1 28 ? -7.301 3.597 -1.201 1.00 0.00 ? 28 LYS B HG3 35 ATOM 49412 H HD2 . LYS B 1 28 ? -7.824 4.950 -3.847 1.00 0.00 ? 28 LYS B HD2 35 ATOM 49413 H HD3 . LYS B 1 28 ? -7.510 5.782 -2.323 1.00 0.00 ? 28 LYS B HD3 35 ATOM 49414 H HE2 . LYS B 1 28 ? -5.299 4.920 -2.212 1.00 0.00 ? 28 LYS B HE2 35 ATOM 49415 H HE3 . LYS B 1 28 ? -5.604 3.790 -3.530 1.00 0.00 ? 28 LYS B HE3 35 ATOM 49416 H HZ1 . LYS B 1 28 ? -5.690 6.736 -3.862 1.00 0.00 ? 28 LYS B HZ1 35 ATOM 49417 H HZ2 . LYS B 1 28 ? -4.303 5.811 -4.144 1.00 0.00 ? 28 LYS B HZ2 35 ATOM 49418 H HZ3 . LYS B 1 28 ? -5.691 5.562 -5.079 1.00 0.00 ? 28 LYS B HZ3 35 ATOM 49419 N N . GLN B 1 29 ? -9.827 1.199 -5.082 1.00 0.00 ? 29 GLN B N 35 ATOM 49420 C CA . GLN B 1 29 ? -10.732 1.476 -6.188 1.00 0.00 ? 29 GLN B CA 35 ATOM 49421 C C . GLN B 1 29 ? -12.116 0.913 -5.898 1.00 0.00 ? 29 GLN B C 35 ATOM 49422 O O . GLN B 1 29 ? -13.128 1.576 -6.125 1.00 0.00 ? 29 GLN B O 35 ATOM 49423 C CB . GLN B 1 29 ? -10.185 0.880 -7.487 1.00 0.00 ? 29 GLN B CB 35 ATOM 49424 C CG . GLN B 1 29 ? -10.691 1.582 -8.737 1.00 0.00 ? 29 GLN B CG 35 ATOM 49425 C CD . GLN B 1 29 ? -9.679 1.564 -9.866 1.00 0.00 ? 29 GLN B CD 35 ATOM 49426 O OE1 . GLN B 1 29 ? -9.381 2.597 -10.465 1.00 0.00 ? 29 GLN B OE1 35 ATOM 49427 N NE2 . GLN B 1 29 ? -9.143 0.385 -10.161 1.00 0.00 ? 29 GLN B NE2 35 ATOM 49428 H H . GLN B 1 29 ? -9.154 0.494 -5.181 1.00 0.00 ? 29 GLN B H 35 ATOM 49429 H HA . GLN B 1 29 ? -10.806 2.548 -6.295 1.00 0.00 ? 29 GLN B HA 35 ATOM 49430 H HB2 . GLN B 1 29 ? -9.108 0.946 -7.474 1.00 0.00 ? 29 GLN B HB2 35 ATOM 49431 H HB3 . GLN B 1 29 ? -10.474 -0.159 -7.542 1.00 0.00 ? 29 GLN B HB3 35 ATOM 49432 H HG2 . GLN B 1 29 ? -11.590 1.087 -9.074 1.00 0.00 ? 29 GLN B HG2 35 ATOM 49433 H HG3 . GLN B 1 29 ? -10.917 2.609 -8.492 1.00 0.00 ? 29 GLN B HG3 35 ATOM 49434 H HE21 . GLN B 1 29 ? -9.427 -0.396 -9.642 1.00 0.00 ? 29 GLN B HE21 35 ATOM 49435 H HE22 . GLN B 1 29 ? -8.486 0.344 -10.887 1.00 0.00 ? 29 GLN B HE22 35 ATOM 49436 N N . SER B 1 30 ? -12.154 -0.314 -5.392 1.00 0.00 ? 30 SER B N 35 ATOM 49437 C CA . SER B 1 30 ? -13.420 -0.964 -5.068 1.00 0.00 ? 30 SER B CA 35 ATOM 49438 C C . SER B 1 30 ? -14.132 -0.242 -3.924 1.00 0.00 ? 30 SER B C 35 ATOM 49439 O O . SER B 1 30 ? -15.347 -0.045 -3.962 1.00 0.00 ? 30 SER B O 35 ATOM 49440 C CB . SER B 1 30 ? -13.184 -2.428 -4.694 1.00 0.00 ? 30 SER B CB 35 ATOM 49441 O OG . SER B 1 30 ? -11.885 -2.617 -4.160 1.00 0.00 ? 30 SER B OG 35 ATOM 49442 H H . SER B 1 30 ? -11.310 -0.795 -5.231 1.00 0.00 ? 30 SER B H 35 ATOM 49443 H HA . SER B 1 30 ? -14.046 -0.923 -5.946 1.00 0.00 ? 30 SER B HA 35 ATOM 49444 H HB2 . SER B 1 30 ? -13.911 -2.729 -3.953 1.00 0.00 ? 30 SER B HB2 35 ATOM 49445 H HB3 . SER B 1 30 ? -13.293 -3.045 -5.574 1.00 0.00 ? 30 SER B HB3 35 ATOM 49446 H HG . SER B 1 30 ? -11.669 -3.552 -4.167 1.00 0.00 ? 30 SER B HG 35 ATOM 49447 N N . ILE B 1 31 ? -13.368 0.149 -2.909 1.00 0.00 ? 31 ILE B N 35 ATOM 49448 C CA . ILE B 1 31 ? -13.924 0.847 -1.755 1.00 0.00 ? 31 ILE B CA 35 ATOM 49449 C C . ILE B 1 31 ? -14.338 2.268 -2.122 1.00 0.00 ? 31 ILE B C 35 ATOM 49450 O O . ILE B 1 31 ? -15.299 2.807 -1.573 1.00 0.00 ? 31 ILE B O 35 ATOM 49451 C CB . ILE B 1 31 ? -12.905 0.883 -0.596 1.00 0.00 ? 31 ILE B CB 35 ATOM 49452 C CG1 . ILE B 1 31 ? -13.407 1.722 0.577 1.00 0.00 ? 31 ILE B CG1 35 ATOM 49453 C CG2 . ILE B 1 31 ? -11.581 1.433 -1.083 1.00 0.00 ? 31 ILE B CG2 35 ATOM 49454 C CD1 . ILE B 1 31 ? -14.471 1.038 1.389 1.00 0.00 ? 31 ILE B CD1 35 ATOM 49455 H H . ILE B 1 31 ? -12.403 -0.035 -2.936 1.00 0.00 ? 31 ILE B H 35 ATOM 49456 H HA . ILE B 1 31 ? -14.797 0.303 -1.423 1.00 0.00 ? 31 ILE B HA 35 ATOM 49457 H HB . ILE B 1 31 ? -12.750 -0.134 -0.259 1.00 0.00 ? 31 ILE B HB 35 ATOM 49458 H HG12 . ILE B 1 31 ? -12.575 1.931 1.237 1.00 0.00 ? 31 ILE B HG12 35 ATOM 49459 H HG13 . ILE B 1 31 ? -13.811 2.652 0.208 1.00 0.00 ? 31 ILE B HG13 35 ATOM 49460 H HG21 . ILE B 1 31 ? -11.603 1.532 -2.158 1.00 0.00 ? 31 ILE B HG21 35 ATOM 49461 H HG22 . ILE B 1 31 ? -11.409 2.401 -0.637 1.00 0.00 ? 31 ILE B HG22 35 ATOM 49462 H HG23 . ILE B 1 31 ? -10.788 0.762 -0.798 1.00 0.00 ? 31 ILE B HG23 35 ATOM 49463 H HD11 . ILE B 1 31 ? -15.148 0.515 0.730 1.00 0.00 ? 31 ILE B HD11 35 ATOM 49464 H HD12 . ILE B 1 31 ? -14.004 0.332 2.061 1.00 0.00 ? 31 ILE B HD12 35 ATOM 49465 H HD13 . ILE B 1 31 ? -15.017 1.773 1.961 1.00 0.00 ? 31 ILE B HD13 35 ATOM 49466 N N . LYS B 1 32 ? -13.608 2.870 -3.052 1.00 0.00 ? 32 LYS B N 35 ATOM 49467 C CA . LYS B 1 32 ? -13.902 4.227 -3.491 1.00 0.00 ? 32 LYS B CA 35 ATOM 49468 C C . LYS B 1 32 ? -15.113 4.253 -4.421 1.00 0.00 ? 32 LYS B C 35 ATOM 49469 O O . LYS B 1 32 ? -15.742 5.294 -4.602 1.00 0.00 ? 32 LYS B O 35 ATOM 49470 C CB . LYS B 1 32 ? -12.689 4.831 -4.200 1.00 0.00 ? 32 LYS B CB 35 ATOM 49471 C CG . LYS B 1 32 ? -11.625 5.351 -3.247 1.00 0.00 ? 32 LYS B CG 35 ATOM 49472 C CD . LYS B 1 32 ? -12.048 6.660 -2.601 1.00 0.00 ? 32 LYS B CD 35 ATOM 49473 C CE . LYS B 1 32 ? -11.074 7.086 -1.515 1.00 0.00 ? 32 LYS B CE 35 ATOM 49474 N NZ . LYS B 1 32 ? -9.710 7.335 -2.059 1.00 0.00 ? 32 LYS B NZ 35 ATOM 49475 H H . LYS B 1 32 ? -12.854 2.389 -3.455 1.00 0.00 ? 32 LYS B H 35 ATOM 49476 H HA . LYS B 1 32 ? -14.125 4.817 -2.615 1.00 0.00 ? 32 LYS B HA 35 ATOM 49477 H HB2 . LYS B 1 32 ? -12.240 4.075 -4.828 1.00 0.00 ? 32 LYS B HB2 35 ATOM 49478 H HB3 . LYS B 1 32 ? -13.019 5.651 -4.820 1.00 0.00 ? 32 LYS B HB3 35 ATOM 49479 H HG2 . LYS B 1 32 ? -11.457 4.617 -2.474 1.00 0.00 ? 32 LYS B HG2 35 ATOM 49480 H HG3 . LYS B 1 32 ? -10.709 5.511 -3.798 1.00 0.00 ? 32 LYS B HG3 35 ATOM 49481 H HD2 . LYS B 1 32 ? -12.084 7.429 -3.358 1.00 0.00 ? 32 LYS B HD2 35 ATOM 49482 H HD3 . LYS B 1 32 ? -13.028 6.535 -2.165 1.00 0.00 ? 32 LYS B HD3 35 ATOM 49483 H HE2 . LYS B 1 32 ? -11.439 7.992 -1.057 1.00 0.00 ? 32 LYS B HE2 35 ATOM 49484 H HE3 . LYS B 1 32 ? -11.019 6.304 -0.772 1.00 0.00 ? 32 LYS B HE3 35 ATOM 49485 H HZ1 . LYS B 1 32 ? -9.415 6.541 -2.664 1.00 0.00 ? 32 LYS B HZ1 35 ATOM 49486 H HZ2 . LYS B 1 32 ? -9.704 8.207 -2.625 1.00 0.00 ? 32 LYS B HZ2 35 ATOM 49487 H HZ3 . LYS B 1 32 ? -9.027 7.435 -1.280 1.00 0.00 ? 32 LYS B HZ3 35 ATOM 49488 N N . LYS B 1 33 ? -15.433 3.105 -5.015 1.00 0.00 ? 33 LYS B N 35 ATOM 49489 C CA . LYS B 1 33 ? -16.564 3.012 -5.929 1.00 0.00 ? 33 LYS B CA 35 ATOM 49490 C C . LYS B 1 33 ? -17.876 2.810 -5.176 1.00 0.00 ? 33 LYS B C 35 ATOM 49491 O O . LYS B 1 33 ? -18.906 3.367 -5.555 1.00 0.00 ? 33 LYS B O 35 ATOM 49492 C CB . LYS B 1 33 ? -16.352 1.867 -6.921 1.00 0.00 ? 33 LYS B CB 35 ATOM 49493 C CG . LYS B 1 33 ? -16.606 2.261 -8.367 1.00 0.00 ? 33 LYS B CG 35 ATOM 49494 C CD . LYS B 1 33 ? -16.141 1.180 -9.329 1.00 0.00 ? 33 LYS B CD 35 ATOM 49495 C CE . LYS B 1 33 ? -17.014 1.127 -10.572 1.00 0.00 ? 33 LYS B CE 35 ATOM 49496 N NZ . LYS B 1 33 ? -16.282 0.568 -11.742 1.00 0.00 ? 33 LYS B NZ 35 ATOM 49497 H H . LYS B 1 33 ? -14.893 2.305 -4.838 1.00 0.00 ? 33 LYS B H 35 ATOM 49498 H HA . LYS B 1 33 ? -16.621 3.941 -6.474 1.00 0.00 ? 33 LYS B HA 35 ATOM 49499 H HB2 . LYS B 1 33 ? -15.332 1.519 -6.839 1.00 0.00 ? 33 LYS B HB2 35 ATOM 49500 H HB3 . LYS B 1 33 ? -17.020 1.058 -6.669 1.00 0.00 ? 33 LYS B HB3 35 ATOM 49501 H HG2 . LYS B 1 33 ? -17.665 2.421 -8.506 1.00 0.00 ? 33 LYS B HG2 35 ATOM 49502 H HG3 . LYS B 1 33 ? -16.070 3.175 -8.580 1.00 0.00 ? 33 LYS B HG3 35 ATOM 49503 H HD2 . LYS B 1 33 ? -15.124 1.388 -9.625 1.00 0.00 ? 33 LYS B HD2 35 ATOM 49504 H HD3 . LYS B 1 33 ? -16.183 0.224 -8.828 1.00 0.00 ? 33 LYS B HD3 35 ATOM 49505 H HE2 . LYS B 1 33 ? -17.873 0.505 -10.367 1.00 0.00 ? 33 LYS B HE2 35 ATOM 49506 H HE3 . LYS B 1 33 ? -17.343 2.128 -10.808 1.00 0.00 ? 33 LYS B HE3 35 ATOM 49507 H HZ1 . LYS B 1 33 ? -15.264 0.514 -11.535 1.00 0.00 ? 33 LYS B HZ1 35 ATOM 49508 H HZ2 . LYS B 1 33 ? -16.631 -0.387 -11.960 1.00 0.00 ? 33 LYS B HZ2 35 ATOM 49509 H HZ3 . LYS B 1 33 ? -16.423 1.175 -12.575 1.00 0.00 ? 33 LYS B HZ3 35 ATOM 49510 N N . LEU B 1 34 ? -17.838 2.018 -4.109 1.00 0.00 ? 34 LEU B N 35 ATOM 49511 C CA . LEU B 1 34 ? -19.033 1.763 -3.319 1.00 0.00 ? 34 LEU B CA 35 ATOM 49512 C C . LEU B 1 34 ? -19.244 2.868 -2.291 1.00 0.00 ? 34 LEU B C 35 ATOM 49513 O O . LEU B 1 34 ? -20.362 3.086 -1.820 1.00 0.00 ? 34 LEU B O 35 ATOM 49514 C CB . LEU B 1 34 ? -18.934 0.401 -2.631 1.00 0.00 ? 34 LEU B CB 35 ATOM 49515 C CG . LEU B 1 34 ? -20.184 -0.028 -1.859 1.00 0.00 ? 34 LEU B CG 35 ATOM 49516 C CD1 . LEU B 1 34 ? -21.382 -0.117 -2.789 1.00 0.00 ? 34 LEU B CD1 35 ATOM 49517 C CD2 . LEU B 1 34 ? -19.948 -1.360 -1.162 1.00 0.00 ? 34 LEU B CD2 35 ATOM 49518 H H . LEU B 1 34 ? -16.990 1.603 -3.842 1.00 0.00 ? 34 LEU B H 35 ATOM 49519 H HA . LEU B 1 34 ? -19.876 1.753 -3.994 1.00 0.00 ? 34 LEU B HA 35 ATOM 49520 H HB2 . LEU B 1 34 ? -18.729 -0.345 -3.385 1.00 0.00 ? 34 LEU B HB2 35 ATOM 49521 H HB3 . LEU B 1 34 ? -18.104 0.428 -1.943 1.00 0.00 ? 34 LEU B HB3 35 ATOM 49522 H HG . LEU B 1 34 ? -20.403 0.711 -1.103 1.00 0.00 ? 34 LEU B HG 35 ATOM 49523 H HD11 . LEU B 1 34 ? -21.125 -0.714 -3.653 1.00 0.00 ? 34 LEU B HD11 35 ATOM 49524 H HD12 . LEU B 1 34 ? -22.208 -0.577 -2.267 1.00 0.00 ? 34 LEU B HD12 35 ATOM 49525 H HD13 . LEU B 1 34 ? -21.666 0.875 -3.107 1.00 0.00 ? 34 LEU B HD13 35 ATOM 49526 H HD21 . LEU B 1 34 ? -18.896 -1.605 -1.200 1.00 0.00 ? 34 LEU B HD21 35 ATOM 49527 H HD22 . LEU B 1 34 ? -20.264 -1.288 -0.132 1.00 0.00 ? 34 LEU B HD22 35 ATOM 49528 H HD23 . LEU B 1 34 ? -20.514 -2.132 -1.660 1.00 0.00 ? 34 LEU B HD23 35 ATOM 49529 N N . LYS B 1 35 ? -18.168 3.575 -1.954 1.00 0.00 ? 35 LYS B N 35 ATOM 49530 C CA . LYS B 1 35 ? -18.242 4.667 -0.996 1.00 0.00 ? 35 LYS B CA 35 ATOM 49531 C C . LYS B 1 35 ? -18.558 5.976 -1.708 1.00 0.00 ? 35 LYS B C 35 ATOM 49532 O O . LYS B 1 35 ? -19.148 6.886 -1.125 1.00 0.00 ? 35 LYS B O 35 ATOM 49533 C CB . LYS B 1 35 ? -16.926 4.792 -0.225 1.00 0.00 ? 35 LYS B CB 35 ATOM 49534 C CG . LYS B 1 35 ? -16.896 5.965 0.741 1.00 0.00 ? 35 LYS B CG 35 ATOM 49535 C CD . LYS B 1 35 ? -15.471 6.352 1.103 1.00 0.00 ? 35 LYS B CD 35 ATOM 49536 C CE . LYS B 1 35 ? -14.693 5.164 1.647 1.00 0.00 ? 35 LYS B CE 35 ATOM 49537 N NZ . LYS B 1 35 ? -13.233 5.446 1.725 1.00 0.00 ? 35 LYS B NZ 35 ATOM 49538 H H . LYS B 1 35 ? -17.306 3.363 -2.368 1.00 0.00 ? 35 LYS B H 35 ATOM 49539 H HA . LYS B 1 35 ? -19.039 4.446 -0.301 1.00 0.00 ? 35 LYS B HA 35 ATOM 49540 H HB2 . LYS B 1 35 ? -16.765 3.885 0.339 1.00 0.00 ? 35 LYS B HB2 35 ATOM 49541 H HB3 . LYS B 1 35 ? -16.119 4.915 -0.932 1.00 0.00 ? 35 LYS B HB3 35 ATOM 49542 H HG2 . LYS B 1 35 ? -17.381 6.811 0.279 1.00 0.00 ? 35 LYS B HG2 35 ATOM 49543 H HG3 . LYS B 1 35 ? -17.425 5.690 1.642 1.00 0.00 ? 35 LYS B HG3 35 ATOM 49544 H HD2 . LYS B 1 35 ? -14.973 6.721 0.219 1.00 0.00 ? 35 LYS B HD2 35 ATOM 49545 H HD3 . LYS B 1 35 ? -15.499 7.127 1.854 1.00 0.00 ? 35 LYS B HD3 35 ATOM 49546 H HE2 . LYS B 1 35 ? -15.059 4.932 2.636 1.00 0.00 ? 35 LYS B HE2 35 ATOM 49547 H HE3 . LYS B 1 35 ? -14.852 4.317 0.995 1.00 0.00 ? 35 LYS B HE3 35 ATOM 49548 H HZ1 . LYS B 1 35 ? -13.069 6.354 2.206 1.00 0.00 ? 35 LYS B HZ1 35 ATOM 49549 H HZ2 . LYS B 1 35 ? -12.752 4.693 2.257 1.00 0.00 ? 35 LYS B HZ2 35 ATOM 49550 H HZ3 . LYS B 1 35 ? -12.826 5.496 0.770 1.00 0.00 ? 35 LYS B HZ3 35 ATOM 49551 N N . GLN B 1 36 ? -18.169 6.061 -2.978 1.00 0.00 ? 36 GLN B N 35 ATOM 49552 C CA . GLN B 1 36 ? -18.421 7.256 -3.773 1.00 0.00 ? 36 GLN B CA 35 ATOM 49553 C C . GLN B 1 36 ? -19.833 7.225 -4.345 1.00 0.00 ? 36 GLN B C 35 ATOM 49554 O O . GLN B 1 36 ? -20.467 8.266 -4.517 1.00 0.00 ? 36 GLN B O 35 ATOM 49555 C CB . GLN B 1 36 ? -17.399 7.369 -4.906 1.00 0.00 ? 36 GLN B CB 35 ATOM 49556 C CG . GLN B 1 36 ? -17.683 8.511 -5.868 1.00 0.00 ? 36 GLN B CG 35 ATOM 49557 C CD . GLN B 1 36 ? -16.417 9.173 -6.375 1.00 0.00 ? 36 GLN B CD 35 ATOM 49558 O OE1 . GLN B 1 36 ? -15.317 8.883 -5.902 1.00 0.00 ? 36 GLN B OE1 35 ATOM 49559 N NE2 . GLN B 1 36 ? -16.565 10.070 -7.344 1.00 0.00 ? 36 GLN B NE2 35 ATOM 49560 H H . GLN B 1 36 ? -17.709 5.299 -3.392 1.00 0.00 ? 36 GLN B H 35 ATOM 49561 H HA . GLN B 1 36 ? -18.326 8.113 -3.123 1.00 0.00 ? 36 GLN B HA 35 ATOM 49562 H HB2 . GLN B 1 36 ? -16.419 7.522 -4.477 1.00 0.00 ? 36 GLN B HB2 35 ATOM 49563 H HB3 . GLN B 1 36 ? -17.397 6.447 -5.467 1.00 0.00 ? 36 GLN B HB3 35 ATOM 49564 H HG2 . GLN B 1 36 ? -18.231 8.126 -6.713 1.00 0.00 ? 36 GLN B HG2 35 ATOM 49565 H HG3 . GLN B 1 36 ? -18.280 9.253 -5.359 1.00 0.00 ? 36 GLN B HG3 35 ATOM 49566 H HE21 . GLN B 1 36 ? -17.470 10.251 -7.672 1.00 0.00 ? 36 GLN B HE21 35 ATOM 49567 H HE22 . GLN B 1 36 ? -15.763 10.513 -7.690 1.00 0.00 ? 36 GLN B HE22 35 ATOM 49568 N N . SER B 1 37 ? -20.321 6.023 -4.637 1.00 0.00 ? 37 SER B N 35 ATOM 49569 C CA . SER B 1 37 ? -21.660 5.855 -5.185 1.00 0.00 ? 37 SER B CA 35 ATOM 49570 C C . SER B 1 37 ? -22.714 6.039 -4.099 1.00 0.00 ? 37 SER B C 35 ATOM 49571 O O . SER B 1 37 ? -23.856 6.402 -4.383 1.00 0.00 ? 37 SER B O 35 ATOM 49572 C CB . SER B 1 37 ? -21.804 4.472 -5.822 1.00 0.00 ? 37 SER B CB 35 ATOM 49573 O OG . SER B 1 37 ? -21.374 3.453 -4.936 1.00 0.00 ? 37 SER B OG 35 ATOM 49574 H H . SER B 1 37 ? -19.767 5.229 -4.475 1.00 0.00 ? 37 SER B H 35 ATOM 49575 H HA . SER B 1 37 ? -21.805 6.609 -5.944 1.00 0.00 ? 37 SER B HA 35 ATOM 49576 H HB2 . SER B 1 37 ? -22.840 4.299 -6.073 1.00 0.00 ? 37 SER B HB2 35 ATOM 49577 H HB3 . SER B 1 37 ? -21.205 4.428 -6.720 1.00 0.00 ? 37 SER B HB3 35 ATOM 49578 H HG . SER B 1 37 ? -21.769 3.593 -4.072 1.00 0.00 ? 37 SER B HG 35 ATOM 49579 N N . GLU B 1 38 ? -22.324 5.789 -2.852 1.00 0.00 ? 38 GLU B N 35 ATOM 49580 C CA . GLU B 1 38 ? -23.237 5.929 -1.723 1.00 0.00 ? 38 GLU B CA 35 ATOM 49581 C C . GLU B 1 38 ? -23.482 7.400 -1.404 1.00 0.00 ? 38 GLU B C 35 ATOM 49582 O O . GLU B 1 38 ? -24.548 7.769 -0.912 1.00 0.00 ? 38 GLU B O 35 ATOM 49583 C CB . GLU B 1 38 ? -22.674 5.215 -0.493 1.00 0.00 ? 38 GLU B CB 35 ATOM 49584 C CG . GLU B 1 38 ? -23.710 4.956 0.587 1.00 0.00 ? 38 GLU B CG 35 ATOM 49585 C CD . GLU B 1 38 ? -23.184 5.243 1.979 1.00 0.00 ? 38 GLU B CD 35 ATOM 49586 O OE1 . GLU B 1 38 ? -22.710 6.375 2.213 1.00 0.00 ? 38 GLU B OE1 35 ATOM 49587 O OE2 . GLU B 1 38 ? -23.246 4.336 2.837 1.00 0.00 ? 38 GLU B OE2 35 ATOM 49588 H H . GLU B 1 38 ? -21.401 5.503 -2.688 1.00 0.00 ? 38 GLU B H 35 ATOM 49589 H HA . GLU B 1 38 ? -24.175 5.471 -1.997 1.00 0.00 ? 38 GLU B HA 35 ATOM 49590 H HB2 . GLU B 1 38 ? -22.260 4.265 -0.801 1.00 0.00 ? 38 GLU B HB2 35 ATOM 49591 H HB3 . GLU B 1 38 ? -21.886 5.820 -0.070 1.00 0.00 ? 38 GLU B HB3 35 ATOM 49592 H HG2 . GLU B 1 38 ? -24.567 5.587 0.405 1.00 0.00 ? 38 GLU B HG2 35 ATOM 49593 H HG3 . GLU B 1 38 ? -24.011 3.919 0.539 1.00 0.00 ? 38 GLU B HG3 35 ATOM 49594 N N . ASP B 1 39 ? -22.488 8.235 -1.686 1.00 0.00 ? 39 ASP B N 35 ATOM 49595 C CA . ASP B 1 39 ? -22.595 9.667 -1.428 1.00 0.00 ? 39 ASP B CA 35 ATOM 49596 C C . ASP B 1 39 ? -21.864 10.468 -2.501 1.00 0.00 ? 39 ASP B C 35 ATOM 49597 O O . ASP B 1 39 ? -21.141 11.416 -2.196 1.00 0.00 ? 39 ASP B O 35 ATOM 49598 C CB . ASP B 1 39 ? -22.028 10.002 -0.049 1.00 0.00 ? 39 ASP B CB 35 ATOM 49599 C CG . ASP B 1 39 ? -22.702 11.208 0.576 1.00 0.00 ? 39 ASP B CG 35 ATOM 49600 O OD1 . ASP B 1 39 ? -23.938 11.173 0.751 1.00 0.00 ? 39 ASP B OD1 35 ATOM 49601 O OD2 . ASP B 1 39 ? -21.993 12.187 0.892 1.00 0.00 ? 39 ASP B OD2 35 ATOM 49602 H H . ASP B 1 39 ? -21.662 7.881 -2.077 1.00 0.00 ? 39 ASP B H 35 ATOM 49603 H HA . ASP B 1 39 ? -23.643 9.929 -1.451 1.00 0.00 ? 39 ASP B HA 35 ATOM 49604 H HB2 . ASP B 1 39 ? -22.167 9.155 0.606 1.00 0.00 ? 39 ASP B HB2 35 ATOM 49605 H HB3 . ASP B 1 39 ? -20.972 10.210 -0.142 1.00 0.00 ? 39 ASP B HB3 35 ATOM 49606 N N . ASP B 1 40 ? -22.059 10.081 -3.757 1.00 0.00 ? 40 ASP B N 35 ATOM 49607 C CA . ASP B 1 40 ? -21.418 10.763 -4.875 1.00 0.00 ? 40 ASP B CA 35 ATOM 49608 C C . ASP B 1 40 ? -21.642 12.270 -4.793 1.00 0.00 ? 40 ASP B C 35 ATOM 49609 O O . ASP B 1 40 ? -22.708 12.728 -4.383 1.00 0.00 ? 40 ASP B O 35 ATOM 49610 C CB . ASP B 1 40 ? -21.955 10.227 -6.203 1.00 0.00 ? 40 ASP B CB 35 ATOM 49611 C CG . ASP B 1 40 ? -20.918 10.271 -7.308 1.00 0.00 ? 40 ASP B CG 35 ATOM 49612 O OD1 . ASP B 1 40 ? -19.844 9.656 -7.138 1.00 0.00 ? 40 ASP B OD1 35 ATOM 49613 O OD2 . ASP B 1 40 ? -21.178 10.921 -8.342 1.00 0.00 ? 40 ASP B OD2 35 ATOM 49614 H H . ASP B 1 40 ? -22.647 9.318 -3.937 1.00 0.00 ? 40 ASP B H 35 ATOM 49615 H HA . ASP B 1 40 ? -20.358 10.565 -4.821 1.00 0.00 ? 40 ASP B HA 35 ATOM 49616 H HB2 . ASP B 1 40 ? -22.269 9.203 -6.071 1.00 0.00 ? 40 ASP B HB2 35 ATOM 49617 H HB3 . ASP B 1 40 ? -22.804 10.823 -6.507 1.00 0.00 ? 40 ASP B HB3 35 ATOM 49618 N N . ASP B 1 41 ? -20.630 13.035 -5.188 1.00 0.00 ? 41 ASP B N 35 ATOM 49619 C CA . ASP B 1 41 ? -20.716 14.491 -5.160 1.00 0.00 ? 41 ASP B CA 35 ATOM 49620 C C . ASP B 1 41 ? -21.047 15.043 -6.542 1.00 0.00 ? 41 ASP B C 35 ATOM 49621 O O . ASP B 1 41 ? -21.292 14.232 -7.460 1.00 0.00 ? 41 ASP B O 35 ATOM 49622 C CB . ASP B 1 41 ? -19.400 15.090 -4.660 1.00 0.00 ? 41 ASP B CB 35 ATOM 49623 C CG . ASP B 1 41 ? -19.527 15.688 -3.272 1.00 0.00 ? 41 ASP B CG 35 ATOM 49624 O OD1 . ASP B 1 41 ? -20.533 16.381 -3.014 1.00 0.00 ? 41 ASP B OD1 35 ATOM 49625 O OD2 . ASP B 1 41 ? -18.620 15.461 -2.444 1.00 0.00 ? 41 ASP B OD2 35 ATOM 49626 O OXT . ASP B 1 41 ? -21.060 16.283 -6.696 1.00 0.00 ? 41 ASP B OXT 35 ATOM 49627 H H . ASP B 1 41 ? -19.804 12.611 -5.506 1.00 0.00 ? 41 ASP B H 35 ATOM 49628 H HA . ASP B 1 41 ? -21.507 14.762 -4.478 1.00 0.00 ? 41 ASP B HA 35 ATOM 49629 H HB2 . ASP B 1 41 ? -18.646 14.317 -4.632 1.00 0.00 ? 41 ASP B HB2 35 ATOM 49630 H HB3 . ASP B 1 41 ? -19.085 15.869 -5.340 1.00 0.00 ? 41 ASP B HB3 35 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 1 ALA ALA A . n A 1 2 LEU 2 2 2 LEU LEU A . n A 1 3 LYS 3 3 3 LYS LYS A . n A 1 4 LYS 4 4 4 LYS LYS A . n A 1 5 HIS 5 5 5 HIS HIS A . n A 1 6 HIS 6 6 6 HIS HIS A . n A 1 7 GLU 7 7 7 GLU GLU A . n A 1 8 ASN 8 8 8 ASN ASN A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 ILE 10 10 10 ILE ILE A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 HIS 12 12 12 HIS HIS A . n A 1 13 HIS 13 13 13 HIS HIS A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 LYS 15 15 15 LYS LYS A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 ILE 17 17 17 ILE ILE A . n A 1 18 GLU 18 18 18 GLU GLU A . n A 1 19 ARG 19 19 19 ARG ARG A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLN 21 21 21 GLN GLN A . n A 1 22 LYS 22 22 22 LYS LYS A . n A 1 23 GLU 23 23 23 GLU GLU A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 GLU 25 25 25 GLU GLU A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 LYS 28 28 28 LYS LYS A . n A 1 29 GLN 29 29 29 GLN GLN A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 LYS 32 32 32 LYS LYS A . n A 1 33 LYS 33 33 33 LYS LYS A . n A 1 34 LEU 34 34 34 LEU LEU A . n A 1 35 LYS 35 35 35 LYS LYS A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 SER 37 37 37 SER SER A . n A 1 38 GLU 38 38 38 GLU GLU A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 ASP 40 40 40 ASP ASP A . n A 1 41 ASP 41 41 41 ASP ASP A . n B 1 1 ALA 1 1 1 ALA ALA B . n B 1 2 LEU 2 2 2 LEU LEU B . n B 1 3 LYS 3 3 3 LYS LYS B . n B 1 4 LYS 4 4 4 LYS LYS B . n B 1 5 HIS 5 5 5 HIS HIS B . n B 1 6 HIS 6 6 6 HIS HIS B . n B 1 7 GLU 7 7 7 GLU GLU B . n B 1 8 ASN 8 8 8 ASN ASN B . n B 1 9 GLU 9 9 9 GLU GLU B . n B 1 10 ILE 10 10 10 ILE ILE B . n B 1 11 SER 11 11 11 SER SER B . n B 1 12 HIS 12 12 12 HIS HIS B . n B 1 13 HIS 13 13 13 HIS HIS B . n B 1 14 ALA 14 14 14 ALA ALA B . n B 1 15 LYS 15 15 15 LYS LYS B . n B 1 16 GLU 16 16 16 GLU GLU B . n B 1 17 ILE 17 17 17 ILE ILE B . n B 1 18 GLU 18 18 18 GLU GLU B . n B 1 19 ARG 19 19 19 ARG ARG B . n B 1 20 LEU 20 20 20 LEU LEU B . n B 1 21 GLN 21 21 21 GLN GLN B . n B 1 22 LYS 22 22 22 LYS LYS B . n B 1 23 GLU 23 23 23 GLU GLU B . n B 1 24 ILE 24 24 24 ILE ILE B . n B 1 25 GLU 25 25 25 GLU GLU B . n B 1 26 ARG 26 26 26 ARG ARG B . n B 1 27 HIS 27 27 27 HIS HIS B . n B 1 28 LYS 28 28 28 LYS LYS B . n B 1 29 GLN 29 29 29 GLN GLN B . n B 1 30 SER 30 30 30 SER SER B . n B 1 31 ILE 31 31 31 ILE ILE B . n B 1 32 LYS 32 32 32 LYS LYS B . n B 1 33 LYS 33 33 33 LYS LYS B . n B 1 34 LEU 34 34 34 LEU LEU B . n B 1 35 LYS 35 35 35 LYS LYS B . n B 1 36 GLN 36 36 36 GLN GLN B . n B 1 37 SER 37 37 37 SER SER B . n B 1 38 GLU 38 38 38 GLU GLU B . n B 1 39 ASP 39 39 39 ASP ASP B . n B 1 40 ASP 40 40 40 ASP ASP B . n B 1 41 ASP 41 41 41 ASP ASP B . n # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2001-05-31 2 'Structure model' 1 1 2011-05-08 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2018-01-17 5 'Structure model' 1 4 2020-01-15 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? _pdbx_audit_revision_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' 'Database references' 4 5 'Structure model' 'Data collection' 5 5 'Structure model' Other # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' citation 2 4 'Structure model' citation_author 3 5 'Structure model' pdbx_database_status 4 5 'Structure model' pdbx_nmr_software 5 5 'Structure model' pdbx_nmr_spectrometer # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_citation.journal_abbrev' 2 4 'Structure model' '_citation.page_last' 3 4 'Structure model' '_citation.pdbx_database_id_DOI' 4 4 'Structure model' '_citation.title' 5 4 'Structure model' '_citation_author.name' 6 5 'Structure model' '_pdbx_database_status.status_code_cs' 7 5 'Structure model' '_pdbx_database_status.status_code_mr' 8 5 'Structure model' '_pdbx_nmr_software.name' 9 5 'Structure model' '_pdbx_nmr_spectrometer.model' # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 2 LEU A 2 ? ? -136.10 -65.26 2 2 LEU B 2 ? ? -136.16 -65.19 3 4 ASP A 40 ? ? 71.22 152.24 4 4 ASP B 40 ? ? 71.25 152.13 5 5 ASP A 40 ? ? 62.08 64.87 6 5 ASP B 40 ? ? 62.17 64.71 7 6 ASP A 40 ? ? -106.17 -162.96 8 6 ASP B 40 ? ? -106.17 -162.88 9 7 ASP A 40 ? ? 59.00 156.63 10 7 ASP B 40 ? ? 58.96 156.77 11 8 ASP A 40 ? ? 50.81 86.85 12 8 ASP B 40 ? ? 50.90 86.89 13 9 ASP A 40 ? ? 70.82 109.41 14 9 ASP B 40 ? ? 70.85 109.38 15 10 LYS A 3 ? ? -98.71 49.92 16 10 ASP A 40 ? ? -162.89 91.78 17 10 LYS B 3 ? ? -98.92 50.05 18 10 ASP B 40 ? ? -162.95 91.90 19 11 LEU A 2 ? ? -56.96 174.73 20 11 LYS A 3 ? ? -86.07 -83.79 21 11 ASP A 40 ? ? 70.23 171.02 22 11 LEU B 2 ? ? -56.96 174.74 23 11 LYS B 3 ? ? -86.20 -83.81 24 11 ASP B 40 ? ? 70.17 170.99 25 12 LYS A 4 ? ? 85.15 -48.17 26 12 ASP A 40 ? ? 70.55 -84.99 27 12 LYS B 4 ? ? 85.13 -48.17 28 12 ASP B 40 ? ? 70.47 -84.96 29 13 LEU A 2 ? ? -63.55 -175.55 30 13 LEU B 2 ? ? -63.58 -175.62 31 14 LEU A 2 ? ? -179.14 145.65 32 14 LYS A 3 ? ? 68.74 98.70 33 14 ASP A 40 ? ? -106.74 -64.84 34 14 LEU B 2 ? ? -179.13 145.63 35 14 LYS B 3 ? ? 68.73 98.65 36 14 ASP B 40 ? ? -106.82 -64.79 37 15 LEU A 2 ? ? 173.65 114.85 38 15 ASP A 39 ? ? -147.12 52.38 39 15 LEU B 2 ? ? 173.78 115.01 40 15 ASP B 39 ? ? -147.25 52.15 41 17 LYS A 3 ? ? -89.71 47.40 42 17 ASP A 40 ? ? 70.31 136.86 43 17 LYS B 3 ? ? -89.83 47.34 44 17 ASP B 40 ? ? 70.16 136.98 45 18 LEU A 2 ? ? -90.18 -88.27 46 18 LYS A 3 ? ? -43.23 93.99 47 18 ASP A 40 ? ? -142.16 52.87 48 18 LYS B 3 ? ? 43.18 77.04 49 18 ASP B 40 ? ? -142.44 52.78 50 19 LEU A 2 ? ? 56.19 166.68 51 19 LYS A 3 ? ? 52.04 99.86 52 19 HIS A 5 ? ? -91.66 -61.08 53 19 LEU B 2 ? ? 56.12 166.75 54 19 LYS B 3 ? ? 51.93 100.01 55 19 HIS B 5 ? ? -91.48 -61.25 56 21 LYS A 4 ? ? 72.14 -81.08 57 21 LYS B 3 ? ? -114.47 73.77 58 23 LEU A 2 ? ? -153.09 54.39 59 23 ASP A 40 ? ? 53.38 -177.08 60 23 LEU B 2 ? ? -153.10 54.43 61 23 ASP B 40 ? ? 53.39 -177.13 62 24 LEU A 2 ? ? -175.79 36.82 63 24 ASP A 40 ? ? 68.29 136.13 64 24 LEU B 2 ? ? -175.83 36.53 65 24 ASP B 40 ? ? 68.27 136.12 66 25 LEU A 2 ? ? -126.99 -76.29 67 25 LYS A 3 ? ? 60.27 150.40 68 25 LEU B 2 ? ? -127.05 -76.30 69 25 LYS B 3 ? ? 60.24 150.59 70 26 LYS A 3 ? ? -137.45 -76.41 71 26 ASP A 40 ? ? 56.34 103.02 72 26 LYS B 3 ? ? -137.24 -76.52 73 26 ASP B 40 ? ? 56.08 103.07 74 27 LEU A 2 ? ? -178.07 91.17 75 27 LYS A 3 ? ? 60.28 118.46 76 27 HIS A 5 ? ? -92.26 -61.51 77 27 LEU B 2 ? ? -178.10 91.22 78 27 LYS B 3 ? ? 60.24 118.33 79 27 HIS B 5 ? ? -92.20 -61.49 80 28 LEU A 2 ? ? -155.21 -79.06 81 28 LYS A 3 ? ? 63.43 143.75 82 28 ASP A 40 ? ? -48.99 92.41 83 28 LEU B 2 ? ? -155.30 -79.28 84 28 LYS B 3 ? ? 63.75 144.03 85 28 ASP B 40 ? ? -49.09 92.47 86 29 LEU A 2 ? ? 174.36 93.98 87 29 ASP A 40 ? ? -49.82 100.55 88 29 LEU B 2 ? ? 174.45 94.04 89 29 ASP B 40 ? ? -49.87 100.51 90 30 LEU A 2 ? ? -145.15 -49.42 91 30 LYS A 4 ? ? -122.34 -51.48 92 30 ASP A 40 ? ? 63.47 172.42 93 30 LEU B 2 ? ? -145.10 -49.39 94 30 LYS B 4 ? ? -122.32 -51.43 95 30 ASP B 40 ? ? 63.44 172.42 96 31 ASP A 40 ? ? 67.51 161.52 97 31 ASP B 40 ? ? 67.42 161.51 98 32 LYS A 4 ? ? -98.33 -68.40 99 32 ASP A 39 ? ? -140.84 36.71 100 32 LYS B 4 ? ? -98.17 -68.56 101 32 ASP B 39 ? ? -140.85 36.71 102 33 ASP A 40 ? ? 68.67 178.59 103 33 ASP B 40 ? ? 68.83 178.51 104 34 LYS A 3 ? ? -103.29 -79.22 105 34 LYS A 4 ? ? 76.81 -79.12 106 34 ASP A 40 ? ? 70.02 135.34 107 34 LYS B 3 ? ? -103.08 -79.23 108 34 LYS B 4 ? ? 76.75 -79.09 109 34 ASP B 40 ? ? 70.04 135.36 110 35 ASP A 39 ? ? -145.09 44.32 111 35 ASP B 39 ? ? -144.93 44.36 # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/1psm.cif ================================================ data_1PSM # _entry.id 1PSM # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1PSM WWPDB D_1000175830 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1PSM _pdbx_database_status.recvd_initial_deposition_date 1994-12-01 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr REL _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mulhern, T.D.' 1 'Norton, R.S.' 2 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Solution structure of a polypeptide containing four heptad repeat units from a merozoite surface antigen of Plasmodium falciparum.' Biochemistry 34 3479 3491 1995 BICHAW US 0006-2960 0033 ? 7893643 10.1021/bi00011a001 1 'Molecular Variation in a Novel Polymorphic Antigen Associated with Plasmodium Falciparum Merozoites' 'To be Published' ? ? ? ? ? ? ? 0353 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mulhern, T.D.' 1 primary 'Howlett, G.J.' 2 primary 'Reid, G.E.' 3 primary 'Simpson, R.J.' 4 primary 'McColl, D.J.' 5 primary 'Anders, R.F.' 6 primary 'Norton, R.S.' 7 1 'Mccoll, D.J.' 8 1 'Silva, A.' 9 1 'Foley, M.' 10 1 'Kun, J.F.J.' 11 1 'Favaloro, J.M.' 12 1 'Thompson, J.K.' 13 1 'Marshall, V.M.' 14 1 'Coppel, R.L.' 15 1 'Kemp, D.J.' 16 1 'Anders, R.F.' 17 # _cell.entry_id 1PSM _cell.length_a 1.000 _cell.length_b 1.000 _cell.length_c 1.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1PSM _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description SPAM-H1 _entity.formula_weight 4071.389 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.details ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code EAYKKAKQASQDAEQAAKDAENASKEAEEAAKEAVNLK _entity_poly.pdbx_seq_one_letter_code_can EAYKKAKQASQDAEQAAKDAENASKEAEEAAKEAVNLK _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 ALA n 1 3 TYR n 1 4 LYS n 1 5 LYS n 1 6 ALA n 1 7 LYS n 1 8 GLN n 1 9 ALA n 1 10 SER n 1 11 GLN n 1 12 ASP n 1 13 ALA n 1 14 GLU n 1 15 GLN n 1 16 ALA n 1 17 ALA n 1 18 LYS n 1 19 ASP n 1 20 ALA n 1 21 GLU n 1 22 ASN n 1 23 ALA n 1 24 SER n 1 25 LYS n 1 26 GLU n 1 27 ALA n 1 28 GLU n 1 29 GLU n 1 30 ALA n 1 31 ALA n 1 32 LYS n 1 33 GLU n 1 34 ALA n 1 35 VAL n 1 36 ASN n 1 37 LEU n 1 38 LYS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'malaria parasite P. falciparum' _entity_src_gen.gene_src_genus Plasmodium _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Plasmodium falciparum' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5833 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ BLOOD _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q26019_PLAFA _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession Q26019 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;YLNLRNAILNNNSQIENEENDIKYELNEQNDENVNTPIVGNSMEFGEGFSADDQKDIEAYKKAKQASQDAEQAAKDAENA SKEAEEAAKEAVNLKESDKSYTKAKEACTAASKAKKAVETALKAKDDAETALKTSETPEKPSRINLFSRKTKEYAEKAKN AYEKAKNAY ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1PSM _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 38 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q26019 _struct_ref_seq.db_align_beg 58 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 95 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 38 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _pdbx_nmr_ensemble.entry_id 1PSM _pdbx_nmr_ensemble.conformers_calculated_total_number ? _pdbx_nmr_ensemble.conformers_submitted_total_number 20 _pdbx_nmr_ensemble.conformer_selection_criteria ? # _pdbx_nmr_software.classification refinement _pdbx_nmr_software.name X-PLOR _pdbx_nmr_software.version ? _pdbx_nmr_software.authors BRUNGER _pdbx_nmr_software.ordinal 1 # _exptl.entry_id 1PSM _exptl.method 'SOLUTION NMR' _exptl.crystals_number ? # _struct.entry_id 1PSM _struct.title 'SOLUTION STRUCTURE OF A POLYPEPTIDE CONTAINING FOUR HEPTAD REPEATS FROM A MEROZOITE SURFACE ANTIGEN OF PLASMODIUM FALCIPARUM' _struct.pdbx_descriptor ;SPAM-H1 (RESIDUES 90 - 127 OF THE SECRETED POLYMORPHIC ANTIGEN ASSOCIATED WITH MEROZOITES (SPAM) (90% H2O/10% D2O, PH 4.9, 275 - 281K) (NMR, 20 STRUCTURES) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1PSM _struct_keywords.pdbx_keywords 'POLYMORPHIC ANTIGEN' _struct_keywords.text 'POLYMORPHIC ANTIGEN' # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag Y _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _struct_biol.id 1 # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id H1 _struct_conf.beg_label_comp_id SER _struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 10 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id LYS _struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 32 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id SER _struct_conf.beg_auth_asym_id A _struct_conf.beg_auth_seq_id 10 _struct_conf.end_auth_comp_id LYS _struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 32 _struct_conf.pdbx_PDB_helix_class 1 _struct_conf.details 'POTENTIALLY EXTENDS TO VAL 35' _struct_conf.pdbx_PDB_helix_length 23 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _database_PDB_matrix.entry_id 1PSM _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1PSM _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_sites_footnote.id _atom_sites_footnote.text 1 'GLU 33 - ALA 34 MODEL 9 OMEGA = 149.63 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION' 2 'ALA 9 - SER 10 MODEL 10 OMEGA = 210.45 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION' # loop_ _atom_type.symbol C H N O # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 1 ? 0.238 -0.153 -0.857 1.00 0.00 ? 1 GLU A N 1 ATOM 2 C CA . GLU A 1 1 ? 1.695 0.093 -0.970 1.00 0.00 ? 1 GLU A CA 1 ATOM 3 C C . GLU A 1 1 ? 1.850 1.530 -0.544 1.00 0.00 ? 1 GLU A C 1 ATOM 4 O O . GLU A 1 1 ? 0.995 2.009 0.202 1.00 0.00 ? 1 GLU A O 1 ATOM 5 C CB . GLU A 1 1 ? 2.151 -0.229 -2.418 1.00 0.00 ? 1 GLU A CB 1 ATOM 6 C CG . GLU A 1 1 ? 1.392 0.543 -3.514 1.00 0.00 ? 1 GLU A CG 1 ATOM 7 C CD . GLU A 1 1 ? 1.863 0.061 -4.863 1.00 0.00 ? 1 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 1 ? 1.398 -1.030 -5.282 1.00 0.00 ? 1 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 1 ? 2.711 0.773 -5.459 1.00 0.00 ? 1 GLU A OE2 1 ATOM 10 H H1 . GLU A 1 1 ? -0.059 0.172 0.089 1.00 0.00 ? 1 GLU A H1 1 ATOM 11 H H2 . GLU A 1 1 ? -0.248 0.421 -1.576 1.00 0.00 ? 1 GLU A H2 1 ATOM 12 H H3 . GLU A 1 1 ? 0.015 -1.156 -0.992 1.00 0.00 ? 1 GLU A H3 1 ATOM 13 H HA . GLU A 1 1 ? 2.200 -0.541 -0.253 1.00 0.00 ? 1 GLU A HA 1 ATOM 14 H HB2 . GLU A 1 1 ? 3.242 -0.040 -2.545 1.00 0.00 ? 1 GLU A HB2 1 ATOM 15 H HB3 . GLU A 1 1 ? 1.998 -1.316 -2.609 1.00 0.00 ? 1 GLU A HB3 1 ATOM 16 H HG2 . GLU A 1 1 ? 0.288 0.428 -3.484 1.00 0.00 ? 1 GLU A HG2 1 ATOM 17 H HG3 . GLU A 1 1 ? 1.648 1.616 -3.444 1.00 0.00 ? 1 GLU A HG3 1 ATOM 18 N N . ALA A 1 2 ? 2.891 2.270 -1.024 1.00 0.00 ? 2 ALA A N 1 ATOM 19 C CA . ALA A 1 2 ? 3.148 3.660 -0.674 1.00 0.00 ? 2 ALA A CA 1 ATOM 20 C C . ALA A 1 2 ? 3.400 4.433 -1.949 1.00 0.00 ? 2 ALA A C 1 ATOM 21 O O . ALA A 1 2 ? 4.383 5.170 -2.066 1.00 0.00 ? 2 ALA A O 1 ATOM 22 C CB . ALA A 1 2 ? 4.357 3.809 0.288 1.00 0.00 ? 2 ALA A CB 1 ATOM 23 H H . ALA A 1 2 ? 3.547 1.874 -1.665 1.00 0.00 ? 2 ALA A H 1 ATOM 24 H HA . ALA A 1 2 ? 2.280 4.102 -0.201 1.00 0.00 ? 2 ALA A HA 1 ATOM 25 H HB1 . ALA A 1 2 ? 4.164 3.225 1.213 1.00 0.00 ? 2 ALA A HB1 1 ATOM 26 H HB2 . ALA A 1 2 ? 5.296 3.413 -0.163 1.00 0.00 ? 2 ALA A HB2 1 ATOM 27 H HB3 . ALA A 1 2 ? 4.528 4.866 0.589 1.00 0.00 ? 2 ALA A HB3 1 ATOM 28 N N . TYR A 1 3 ? 2.461 4.281 -2.916 1.00 0.00 ? 3 TYR A N 1 ATOM 29 C CA . TYR A 1 3 ? 2.452 4.695 -4.315 1.00 0.00 ? 3 TYR A CA 1 ATOM 30 C C . TYR A 1 3 ? 2.334 6.200 -4.522 1.00 0.00 ? 3 TYR A C 1 ATOM 31 O O . TYR A 1 3 ? 3.324 6.938 -4.505 1.00 0.00 ? 3 TYR A O 1 ATOM 32 C CB . TYR A 1 3 ? 1.337 3.926 -5.149 1.00 0.00 ? 3 TYR A CB 1 ATOM 33 C CG . TYR A 1 3 ? -0.097 3.943 -4.601 1.00 0.00 ? 3 TYR A CG 1 ATOM 34 C CD1 . TYR A 1 3 ? -0.453 3.476 -3.314 1.00 0.00 ? 3 TYR A CD1 1 ATOM 35 C CD2 . TYR A 1 3 ? -1.134 4.458 -5.410 1.00 0.00 ? 3 TYR A CD2 1 ATOM 36 C CE1 . TYR A 1 3 ? -1.753 3.592 -2.824 1.00 0.00 ? 3 TYR A CE1 1 ATOM 37 C CE2 . TYR A 1 3 ? -2.448 4.562 -4.932 1.00 0.00 ? 3 TYR A CE2 1 ATOM 38 C CZ . TYR A 1 3 ? -2.745 4.152 -3.626 1.00 0.00 ? 3 TYR A CZ 1 ATOM 39 O OH . TYR A 1 3 ? -4.037 4.277 -3.085 1.00 0.00 ? 3 TYR A OH 1 ATOM 40 H H . TYR A 1 3 ? 1.671 3.723 -2.694 1.00 0.00 ? 3 TYR A H 1 ATOM 41 H HA . TYR A 1 3 ? 3.405 4.405 -4.739 1.00 0.00 ? 3 TYR A HA 1 ATOM 42 H HB2 . TYR A 1 3 ? 1.317 4.274 -6.209 1.00 0.00 ? 3 TYR A HB2 1 ATOM 43 H HB3 . TYR A 1 3 ? 1.625 2.858 -5.209 1.00 0.00 ? 3 TYR A HB3 1 ATOM 44 H HD1 . TYR A 1 3 ? 0.249 3.014 -2.649 1.00 0.00 ? 3 TYR A HD1 1 ATOM 45 H HD2 . TYR A 1 3 ? -0.925 4.797 -6.414 1.00 0.00 ? 3 TYR A HD2 1 ATOM 46 H HE1 . TYR A 1 3 ? -1.992 3.248 -1.828 1.00 0.00 ? 3 TYR A HE1 1 ATOM 47 H HE2 . TYR A 1 3 ? -3.211 4.973 -5.576 1.00 0.00 ? 3 TYR A HE2 1 ATOM 48 H HH . TYR A 1 3 ? -4.634 4.575 -3.775 1.00 0.00 ? 3 TYR A HH 1 ATOM 49 N N . LYS A 1 4 ? 1.081 6.668 -4.713 1.00 0.00 ? 4 LYS A N 1 ATOM 50 C CA . LYS A 1 4 ? 0.675 8.011 -5.022 1.00 0.00 ? 4 LYS A CA 1 ATOM 51 C C . LYS A 1 4 ? -0.444 8.301 -4.062 1.00 0.00 ? 4 LYS A C 1 ATOM 52 O O . LYS A 1 4 ? -1.579 7.867 -4.243 1.00 0.00 ? 4 LYS A O 1 ATOM 53 C CB . LYS A 1 4 ? 0.198 8.156 -6.502 1.00 0.00 ? 4 LYS A CB 1 ATOM 54 C CG . LYS A 1 4 ? 1.240 8.838 -7.407 1.00 0.00 ? 4 LYS A CG 1 ATOM 55 C CD . LYS A 1 4 ? 1.361 10.363 -7.203 1.00 0.00 ? 4 LYS A CD 1 ATOM 56 C CE . LYS A 1 4 ? 0.098 11.139 -7.631 1.00 0.00 ? 4 LYS A CE 1 ATOM 57 N NZ . LYS A 1 4 ? 0.248 12.604 -7.428 1.00 0.00 ? 4 LYS A NZ 1 ATOM 58 H H . LYS A 1 4 ? 0.320 6.017 -4.687 1.00 0.00 ? 4 LYS A H 1 ATOM 59 H HA . LYS A 1 4 ? 1.481 8.705 -4.820 1.00 0.00 ? 4 LYS A HA 1 ATOM 60 H HB2 . LYS A 1 4 ? 0.019 7.135 -6.904 1.00 0.00 ? 4 LYS A HB2 1 ATOM 61 H HB3 . LYS A 1 4 ? -0.770 8.696 -6.621 1.00 0.00 ? 4 LYS A HB3 1 ATOM 62 H HG2 . LYS A 1 4 ? 2.226 8.357 -7.213 1.00 0.00 ? 4 LYS A HG2 1 ATOM 63 H HG3 . LYS A 1 4 ? 0.975 8.643 -8.471 1.00 0.00 ? 4 LYS A HG3 1 ATOM 64 H HD2 . LYS A 1 4 ? 1.612 10.570 -6.140 1.00 0.00 ? 4 LYS A HD2 1 ATOM 65 H HD3 . LYS A 1 4 ? 2.218 10.702 -7.826 1.00 0.00 ? 4 LYS A HD3 1 ATOM 66 H HE2 . LYS A 1 4 ? -0.104 10.963 -8.710 1.00 0.00 ? 4 LYS A HE2 1 ATOM 67 H HE3 . LYS A 1 4 ? -0.790 10.818 -7.044 1.00 0.00 ? 4 LYS A HE3 1 ATOM 68 H HZ1 . LYS A 1 4 ? 1.093 12.952 -7.924 1.00 0.00 ? 4 LYS A HZ1 1 ATOM 69 H HZ2 . LYS A 1 4 ? -0.593 13.078 -7.815 1.00 0.00 ? 4 LYS A HZ2 1 ATOM 70 H HZ3 . LYS A 1 4 ? 0.323 12.840 -6.419 1.00 0.00 ? 4 LYS A HZ3 1 ATOM 71 N N . LYS A 1 5 ? -0.099 9.088 -3.028 1.00 0.00 ? 5 LYS A N 1 ATOM 72 C CA . LYS A 1 5 ? -0.955 9.612 -2.009 1.00 0.00 ? 5 LYS A CA 1 ATOM 73 C C . LYS A 1 5 ? -0.076 10.764 -1.619 1.00 0.00 ? 5 LYS A C 1 ATOM 74 O O . LYS A 1 5 ? 1.028 10.886 -2.166 1.00 0.00 ? 5 LYS A O 1 ATOM 75 C CB . LYS A 1 5 ? -1.203 8.648 -0.798 1.00 0.00 ? 5 LYS A CB 1 ATOM 76 C CG . LYS A 1 5 ? 0.020 7.823 -0.310 1.00 0.00 ? 5 LYS A CG 1 ATOM 77 C CD . LYS A 1 5 ? -0.033 7.385 1.169 1.00 0.00 ? 5 LYS A CD 1 ATOM 78 C CE . LYS A 1 5 ? 0.071 8.588 2.130 1.00 0.00 ? 5 LYS A CE 1 ATOM 79 N NZ . LYS A 1 5 ? 0.228 8.225 3.566 1.00 0.00 ? 5 LYS A NZ 1 ATOM 80 H H . LYS A 1 5 ? 0.818 9.498 -2.947 1.00 0.00 ? 5 LYS A H 1 ATOM 81 H HA . LYS A 1 5 ? -1.878 9.988 -2.437 1.00 0.00 ? 5 LYS A HA 1 ATOM 82 H HB2 . LYS A 1 5 ? -1.654 9.217 0.043 1.00 0.00 ? 5 LYS A HB2 1 ATOM 83 H HB3 . LYS A 1 5 ? -1.975 7.907 -1.103 1.00 0.00 ? 5 LYS A HB3 1 ATOM 84 H HG2 . LYS A 1 5 ? 0.114 6.928 -0.968 1.00 0.00 ? 5 LYS A HG2 1 ATOM 85 H HG3 . LYS A 1 5 ? 0.954 8.414 -0.422 1.00 0.00 ? 5 LYS A HG3 1 ATOM 86 H HD2 . LYS A 1 5 ? -0.967 6.807 1.346 1.00 0.00 ? 5 LYS A HD2 1 ATOM 87 H HD3 . LYS A 1 5 ? 0.831 6.704 1.334 1.00 0.00 ? 5 LYS A HD3 1 ATOM 88 H HE2 . LYS A 1 5 ? 0.965 9.183 1.853 1.00 0.00 ? 5 LYS A HE2 1 ATOM 89 H HE3 . LYS A 1 5 ? -0.828 9.236 2.050 1.00 0.00 ? 5 LYS A HE3 1 ATOM 90 H HZ1 . LYS A 1 5 ? 1.076 7.647 3.726 1.00 0.00 ? 5 LYS A HZ1 1 ATOM 91 H HZ2 . LYS A 1 5 ? 0.336 9.101 4.162 1.00 0.00 ? 5 LYS A HZ2 1 ATOM 92 H HZ3 . LYS A 1 5 ? -0.610 7.721 3.914 1.00 0.00 ? 5 LYS A HZ3 1 ATOM 93 N N . ALA A 1 6 ? -0.501 11.588 -0.632 1.00 0.00 ? 6 ALA A N 1 ATOM 94 C CA . ALA A 1 6 ? 0.286 12.643 -0.019 1.00 0.00 ? 6 ALA A CA 1 ATOM 95 C C . ALA A 1 6 ? 1.026 12.067 1.169 1.00 0.00 ? 6 ALA A C 1 ATOM 96 O O . ALA A 1 6 ? 0.441 11.771 2.207 1.00 0.00 ? 6 ALA A O 1 ATOM 97 C CB . ALA A 1 6 ? -0.588 13.832 0.463 1.00 0.00 ? 6 ALA A CB 1 ATOM 98 H H . ALA A 1 6 ? -1.398 11.460 -0.216 1.00 0.00 ? 6 ALA A H 1 ATOM 99 H HA . ALA A 1 6 ? 1.006 13.028 -0.732 1.00 0.00 ? 6 ALA A HA 1 ATOM 100 H HB1 . ALA A 1 6 ? -1.164 14.233 -0.396 1.00 0.00 ? 6 ALA A HB1 1 ATOM 101 H HB2 . ALA A 1 6 ? -1.324 13.537 1.244 1.00 0.00 ? 6 ALA A HB2 1 ATOM 102 H HB3 . ALA A 1 6 ? 0.028 14.670 0.861 1.00 0.00 ? 6 ALA A HB3 1 ATOM 103 N N . LYS A 1 7 ? 2.365 11.878 1.024 1.00 0.00 ? 7 LYS A N 1 ATOM 104 C CA . LYS A 1 7 ? 3.256 11.243 1.995 1.00 0.00 ? 7 LYS A CA 1 ATOM 105 C C . LYS A 1 7 ? 3.801 12.272 2.962 1.00 0.00 ? 7 LYS A C 1 ATOM 106 O O . LYS A 1 7 ? 4.277 11.944 4.044 1.00 0.00 ? 7 LYS A O 1 ATOM 107 C CB . LYS A 1 7 ? 4.401 10.444 1.290 1.00 0.00 ? 7 LYS A CB 1 ATOM 108 C CG . LYS A 1 7 ? 3.851 9.216 0.529 1.00 0.00 ? 7 LYS A CG 1 ATOM 109 C CD . LYS A 1 7 ? 4.868 8.329 -0.229 1.00 0.00 ? 7 LYS A CD 1 ATOM 110 C CE . LYS A 1 7 ? 4.961 8.633 -1.745 1.00 0.00 ? 7 LYS A CE 1 ATOM 111 N NZ . LYS A 1 7 ? 5.569 7.514 -2.530 1.00 0.00 ? 7 LYS A NZ 1 ATOM 112 H H . LYS A 1 7 ? 2.773 12.042 0.127 1.00 0.00 ? 7 LYS A H 1 ATOM 113 H HA . LYS A 1 7 ? 2.693 10.540 2.596 1.00 0.00 ? 7 LYS A HA 1 ATOM 114 H HB2 . LYS A 1 7 ? 4.967 11.114 0.601 1.00 0.00 ? 7 LYS A HB2 1 ATOM 115 H HB3 . LYS A 1 7 ? 5.124 10.052 2.042 1.00 0.00 ? 7 LYS A HB3 1 ATOM 116 H HG2 . LYS A 1 7 ? 3.393 8.579 1.317 1.00 0.00 ? 7 LYS A HG2 1 ATOM 117 H HG3 . LYS A 1 7 ? 3.043 9.511 -0.175 1.00 0.00 ? 7 LYS A HG3 1 ATOM 118 H HD2 . LYS A 1 7 ? 5.864 8.365 0.270 1.00 0.00 ? 7 LYS A HD2 1 ATOM 119 H HD3 . LYS A 1 7 ? 4.477 7.291 -0.123 1.00 0.00 ? 7 LYS A HD3 1 ATOM 120 H HE2 . LYS A 1 7 ? 3.935 8.771 -2.151 1.00 0.00 ? 7 LYS A HE2 1 ATOM 121 H HE3 . LYS A 1 7 ? 5.544 9.561 -1.936 1.00 0.00 ? 7 LYS A HE3 1 ATOM 122 H HZ1 . LYS A 1 7 ? 5.095 6.588 -2.307 1.00 0.00 ? 7 LYS A HZ1 1 ATOM 123 H HZ2 . LYS A 1 7 ? 5.394 7.668 -3.547 1.00 0.00 ? 7 LYS A HZ2 1 ATOM 124 H HZ3 . LYS A 1 7 ? 6.591 7.420 -2.362 1.00 0.00 ? 7 LYS A HZ3 1 ATOM 125 N N . GLN A 1 8 ? 3.628 13.569 2.584 1.00 0.00 ? 8 GLN A N 1 ATOM 126 C CA . GLN A 1 8 ? 3.927 14.751 3.378 1.00 0.00 ? 8 GLN A CA 1 ATOM 127 C C . GLN A 1 8 ? 2.802 15.099 4.346 1.00 0.00 ? 8 GLN A C 1 ATOM 128 O O . GLN A 1 8 ? 3.019 15.765 5.346 1.00 0.00 ? 8 GLN A O 1 ATOM 129 C CB . GLN A 1 8 ? 4.229 15.973 2.459 1.00 0.00 ? 8 GLN A CB 1 ATOM 130 C CG . GLN A 1 8 ? 3.034 16.477 1.608 1.00 0.00 ? 8 GLN A CG 1 ATOM 131 C CD . GLN A 1 8 ? 3.501 17.315 0.424 1.00 0.00 ? 8 GLN A CD 1 ATOM 132 O OE1 . GLN A 1 8 ? 3.278 16.864 -0.694 1.00 0.00 ? 8 GLN A OE1 1 ATOM 133 N NE2 . GLN A 1 8 ? 4.125 18.502 0.624 1.00 0.00 ? 8 GLN A NE2 1 ATOM 134 H H . GLN A 1 8 ? 3.271 13.747 1.674 1.00 0.00 ? 8 GLN A H 1 ATOM 135 H HA . GLN A 1 8 ? 4.813 14.554 3.970 1.00 0.00 ? 8 GLN A HA 1 ATOM 136 H HB2 . GLN A 1 8 ? 4.633 16.816 3.064 1.00 0.00 ? 8 GLN A HB2 1 ATOM 137 H HB3 . GLN A 1 8 ? 5.037 15.644 1.769 1.00 0.00 ? 8 GLN A HB3 1 ATOM 138 H HG2 . GLN A 1 8 ? 2.484 15.618 1.172 1.00 0.00 ? 8 GLN A HG2 1 ATOM 139 H HG3 . GLN A 1 8 ? 2.319 17.064 2.225 1.00 0.00 ? 8 GLN A HG3 1 ATOM 140 H HE21 . GLN A 1 8 ? 4.331 18.818 1.549 1.00 0.00 ? 8 GLN A HE21 1 ATOM 141 H HE22 . GLN A 1 8 ? 4.380 19.052 -0.169 1.00 0.00 ? 8 GLN A HE22 1 ATOM 142 N N . ALA A 1 9 ? 1.550 14.655 4.062 1.00 0.00 ? 9 ALA A N 1 ATOM 143 C CA . ALA A 1 9 ? 0.397 14.755 4.949 1.00 0.00 ? 9 ALA A CA 1 ATOM 144 C C . ALA A 1 9 ? 0.152 13.410 5.601 1.00 0.00 ? 9 ALA A C 1 ATOM 145 O O . ALA A 1 9 ? -0.583 12.596 5.047 1.00 0.00 ? 9 ALA A O 1 ATOM 146 C CB . ALA A 1 9 ? -0.875 15.204 4.179 1.00 0.00 ? 9 ALA A CB 1 ATOM 147 H H . ALA A 1 9 ? 1.424 14.067 3.268 1.00 0.00 ? 9 ALA A H 1 ATOM 148 H HA . ALA A 1 9 ? 0.583 15.482 5.732 1.00 0.00 ? 9 ALA A HA 1 ATOM 149 H HB1 . ALA A 1 9 ? -1.138 14.500 3.359 1.00 0.00 ? 9 ALA A HB1 1 ATOM 150 H HB2 . ALA A 1 9 ? -1.754 15.300 4.856 1.00 0.00 ? 9 ALA A HB2 1 ATOM 151 H HB3 . ALA A 1 9 ? -0.696 16.204 3.725 1.00 0.00 ? 9 ALA A HB3 1 ATOM 152 N N . SER A 1 10 ? 0.766 13.076 6.747 1.00 0.00 ? 10 SER A N 1 ATOM 153 C CA . SER A 1 10 ? 0.625 11.772 7.352 1.00 0.00 ? 10 SER A CA 1 ATOM 154 C C . SER A 1 10 ? 1.349 12.027 8.631 1.00 0.00 ? 10 SER A C 1 ATOM 155 O O . SER A 1 10 ? 1.803 13.156 8.852 1.00 0.00 ? 10 SER A O 1 ATOM 156 C CB . SER A 1 10 ? 1.275 10.576 6.544 1.00 0.00 ? 10 SER A CB 1 ATOM 157 O OG . SER A 1 10 ? 0.515 10.262 5.372 1.00 0.00 ? 10 SER A OG 1 ATOM 158 H H . SER A 1 10 ? 1.354 13.680 7.304 1.00 0.00 ? 10 SER A H 1 ATOM 159 H HA . SER A 1 10 ? -0.410 11.589 7.596 1.00 0.00 ? 10 SER A HA 1 ATOM 160 H HB2 . SER A 1 10 ? 2.310 10.843 6.230 1.00 0.00 ? 10 SER A HB2 1 ATOM 161 H HB3 . SER A 1 10 ? 1.331 9.641 7.148 1.00 0.00 ? 10 SER A HB3 1 ATOM 162 H HG . SER A 1 10 ? 0.051 11.110 5.147 1.00 0.00 ? 10 SER A HG 1 ATOM 163 N N . GLN A 1 11 ? 1.567 10.958 9.453 1.00 0.00 ? 11 GLN A N 1 ATOM 164 C CA . GLN A 1 11 ? 2.186 10.973 10.772 1.00 0.00 ? 11 GLN A CA 1 ATOM 165 C C . GLN A 1 11 ? 3.686 11.239 10.767 1.00 0.00 ? 11 GLN A C 1 ATOM 166 O O . GLN A 1 11 ? 4.320 11.387 11.810 1.00 0.00 ? 11 GLN A O 1 ATOM 167 C CB . GLN A 1 11 ? 1.866 9.697 11.594 1.00 0.00 ? 11 GLN A CB 1 ATOM 168 C CG . GLN A 1 11 ? 1.956 8.386 10.786 1.00 0.00 ? 11 GLN A CG 1 ATOM 169 C CD . GLN A 1 11 ? 2.285 7.240 11.731 1.00 0.00 ? 11 GLN A CD 1 ATOM 170 O OE1 . GLN A 1 11 ? 1.477 6.385 12.078 1.00 0.00 ? 11 GLN A OE1 1 ATOM 171 N NE2 . GLN A 1 11 ? 3.570 7.183 12.155 1.00 0.00 ? 11 GLN A NE2 1 ATOM 172 H H . GLN A 1 11 ? 1.208 10.063 9.214 1.00 0.00 ? 11 GLN A H 1 ATOM 173 H HA . GLN A 1 11 ? 1.725 11.779 11.308 1.00 0.00 ? 11 GLN A HA 1 ATOM 174 H HB2 . GLN A 1 11 ? 2.469 9.673 12.535 1.00 0.00 ? 11 GLN A HB2 1 ATOM 175 H HB3 . GLN A 1 11 ? 0.808 9.777 11.934 1.00 0.00 ? 11 GLN A HB3 1 ATOM 176 H HG2 . GLN A 1 11 ? 0.984 8.169 10.296 1.00 0.00 ? 11 GLN A HG2 1 ATOM 177 H HG3 . GLN A 1 11 ? 2.744 8.437 10.004 1.00 0.00 ? 11 GLN A HG3 1 ATOM 178 H HE21 . GLN A 1 11 ? 4.260 7.785 11.755 1.00 0.00 ? 11 GLN A HE21 1 ATOM 179 H HE22 . GLN A 1 11 ? 3.830 6.462 12.798 1.00 0.00 ? 11 GLN A HE22 1 ATOM 180 N N . ASP A 1 12 ? 4.238 11.414 9.538 1.00 0.00 ? 12 ASP A N 1 ATOM 181 C CA . ASP A 1 12 ? 5.579 11.844 9.203 1.00 0.00 ? 12 ASP A CA 1 ATOM 182 C C . ASP A 1 12 ? 5.693 13.360 9.241 1.00 0.00 ? 12 ASP A C 1 ATOM 183 O O . ASP A 1 12 ? 6.764 13.915 9.470 1.00 0.00 ? 12 ASP A O 1 ATOM 184 C CB . ASP A 1 12 ? 5.950 11.330 7.779 1.00 0.00 ? 12 ASP A CB 1 ATOM 185 C CG . ASP A 1 12 ? 7.438 11.042 7.703 1.00 0.00 ? 12 ASP A CG 1 ATOM 186 O OD1 . ASP A 1 12 ? 7.884 10.321 8.632 1.00 0.00 ? 12 ASP A OD1 1 ATOM 187 O OD2 . ASP A 1 12 ? 8.127 11.493 6.754 1.00 0.00 ? 12 ASP A OD2 1 ATOM 188 H H . ASP A 1 12 ? 3.651 11.285 8.745 1.00 0.00 ? 12 ASP A H 1 ATOM 189 H HA . ASP A 1 12 ? 6.251 11.434 9.950 1.00 0.00 ? 12 ASP A HA 1 ATOM 190 H HB2 . ASP A 1 12 ? 5.457 10.351 7.617 1.00 0.00 ? 12 ASP A HB2 1 ATOM 191 H HB3 . ASP A 1 12 ? 5.636 11.996 6.941 1.00 0.00 ? 12 ASP A HB3 1 ATOM 192 N N . ALA A 1 13 ? 4.537 14.076 9.100 1.00 0.00 ? 13 ALA A N 1 ATOM 193 C CA . ALA A 1 13 ? 4.475 15.517 9.308 1.00 0.00 ? 13 ALA A CA 1 ATOM 194 C C . ALA A 1 13 ? 3.953 15.815 10.684 1.00 0.00 ? 13 ALA A C 1 ATOM 195 O O . ALA A 1 13 ? 4.220 16.887 11.210 1.00 0.00 ? 13 ALA A O 1 ATOM 196 C CB . ALA A 1 13 ? 3.593 16.262 8.285 1.00 0.00 ? 13 ALA A CB 1 ATOM 197 H H . ALA A 1 13 ? 3.655 13.620 8.927 1.00 0.00 ? 13 ALA A H 1 ATOM 198 H HA . ALA A 1 13 ? 5.463 15.961 9.249 1.00 0.00 ? 13 ALA A HA 1 ATOM 199 H HB1 . ALA A 1 13 ? 2.579 15.811 8.193 1.00 0.00 ? 13 ALA A HB1 1 ATOM 200 H HB2 . ALA A 1 13 ? 3.493 17.351 8.499 1.00 0.00 ? 13 ALA A HB2 1 ATOM 201 H HB3 . ALA A 1 13 ? 4.100 16.174 7.305 1.00 0.00 ? 13 ALA A HB3 1 ATOM 202 N N . GLU A 1 14 ? 3.220 14.860 11.316 1.00 0.00 ? 14 GLU A N 1 ATOM 203 C CA . GLU A 1 14 ? 2.563 14.988 12.604 1.00 0.00 ? 14 GLU A CA 1 ATOM 204 C C . GLU A 1 14 ? 3.526 14.793 13.750 1.00 0.00 ? 14 GLU A C 1 ATOM 205 O O . GLU A 1 14 ? 3.443 15.482 14.763 1.00 0.00 ? 14 GLU A O 1 ATOM 206 C CB . GLU A 1 14 ? 1.471 13.911 12.723 1.00 0.00 ? 14 GLU A CB 1 ATOM 207 C CG . GLU A 1 14 ? 0.340 14.117 13.743 1.00 0.00 ? 14 GLU A CG 1 ATOM 208 C CD . GLU A 1 14 ? -0.621 12.927 13.612 1.00 0.00 ? 14 GLU A CD 1 ATOM 209 O OE1 . GLU A 1 14 ? -0.221 11.943 12.931 1.00 0.00 ? 14 GLU A OE1 1 ATOM 210 O OE2 . GLU A 1 14 ? -1.739 12.994 14.177 1.00 0.00 ? 14 GLU A OE2 1 ATOM 211 H H . GLU A 1 14 ? 2.998 14.028 10.816 1.00 0.00 ? 14 GLU A H 1 ATOM 212 H HA . GLU A 1 14 ? 2.109 15.968 12.676 1.00 0.00 ? 14 GLU A HA 1 ATOM 213 H HB2 . GLU A 1 14 ? 0.963 13.842 11.735 1.00 0.00 ? 14 GLU A HB2 1 ATOM 214 H HB3 . GLU A 1 14 ? 1.920 12.910 12.932 1.00 0.00 ? 14 GLU A HB3 1 ATOM 215 H HG2 . GLU A 1 14 ? 0.717 14.176 14.786 1.00 0.00 ? 14 GLU A HG2 1 ATOM 216 H HG3 . GLU A 1 14 ? -0.212 15.048 13.503 1.00 0.00 ? 14 GLU A HG3 1 ATOM 217 N N . GLN A 1 15 ? 4.496 13.838 13.600 1.00 0.00 ? 15 GLN A N 1 ATOM 218 C CA . GLN A 1 15 ? 5.466 13.499 14.643 1.00 0.00 ? 15 GLN A CA 1 ATOM 219 C C . GLN A 1 15 ? 6.652 14.450 14.645 1.00 0.00 ? 15 GLN A C 1 ATOM 220 O O . GLN A 1 15 ? 7.144 14.859 15.699 1.00 0.00 ? 15 GLN A O 1 ATOM 221 C CB . GLN A 1 15 ? 5.939 12.019 14.553 1.00 0.00 ? 15 GLN A CB 1 ATOM 222 C CG . GLN A 1 15 ? 6.034 11.281 15.901 1.00 0.00 ? 15 GLN A CG 1 ATOM 223 C CD . GLN A 1 15 ? 7.339 11.560 16.636 1.00 0.00 ? 15 GLN A CD 1 ATOM 224 O OE1 . GLN A 1 15 ? 8.349 10.920 16.370 1.00 0.00 ? 15 GLN A OE1 1 ATOM 225 N NE2 . GLN A 1 15 ? 7.321 12.496 17.609 1.00 0.00 ? 15 GLN A NE2 1 ATOM 226 H H . GLN A 1 15 ? 4.505 13.245 12.789 1.00 0.00 ? 15 GLN A H 1 ATOM 227 H HA . GLN A 1 15 ? 4.969 13.604 15.599 1.00 0.00 ? 15 GLN A HA 1 ATOM 228 H HB2 . GLN A 1 15 ? 5.118 11.470 14.049 1.00 0.00 ? 15 GLN A HB2 1 ATOM 229 H HB3 . GLN A 1 15 ? 6.849 11.859 13.929 1.00 0.00 ? 15 GLN A HB3 1 ATOM 230 H HG2 . GLN A 1 15 ? 5.148 11.510 16.532 1.00 0.00 ? 15 GLN A HG2 1 ATOM 231 H HG3 . GLN A 1 15 ? 6.035 10.193 15.683 1.00 0.00 ? 15 GLN A HG3 1 ATOM 232 H HE21 . GLN A 1 15 ? 6.535 13.094 17.725 1.00 0.00 ? 15 GLN A HE21 1 ATOM 233 H HE22 . GLN A 1 15 ? 8.168 12.717 18.139 1.00 0.00 ? 15 GLN A HE22 1 ATOM 234 N N . ALA A 1 16 ? 7.061 14.927 13.438 1.00 0.00 ? 16 ALA A N 1 ATOM 235 C CA . ALA A 1 16 ? 8.184 15.824 13.182 1.00 0.00 ? 16 ALA A CA 1 ATOM 236 C C . ALA A 1 16 ? 7.838 17.273 13.490 1.00 0.00 ? 16 ALA A C 1 ATOM 237 O O . ALA A 1 16 ? 8.698 18.147 13.564 1.00 0.00 ? 16 ALA A O 1 ATOM 238 C CB . ALA A 1 16 ? 8.633 15.719 11.698 1.00 0.00 ? 16 ALA A CB 1 ATOM 239 H H . ALA A 1 16 ? 6.600 14.608 12.614 1.00 0.00 ? 16 ALA A H 1 ATOM 240 H HA . ALA A 1 16 ? 9.012 15.536 13.821 1.00 0.00 ? 16 ALA A HA 1 ATOM 241 H HB1 . ALA A 1 16 ? 8.908 14.668 11.461 1.00 0.00 ? 16 ALA A HB1 1 ATOM 242 H HB2 . ALA A 1 16 ? 7.825 16.008 10.988 1.00 0.00 ? 16 ALA A HB2 1 ATOM 243 H HB3 . ALA A 1 16 ? 9.525 16.349 11.482 1.00 0.00 ? 16 ALA A HB3 1 ATOM 244 N N . ALA A 1 17 ? 6.521 17.524 13.701 1.00 0.00 ? 17 ALA A N 1 ATOM 245 C CA . ALA A 1 17 ? 5.939 18.740 14.229 1.00 0.00 ? 17 ALA A CA 1 ATOM 246 C C . ALA A 1 17 ? 5.802 18.711 15.738 1.00 0.00 ? 17 ALA A C 1 ATOM 247 O O . ALA A 1 17 ? 5.650 19.753 16.371 1.00 0.00 ? 17 ALA A O 1 ATOM 248 C CB . ALA A 1 17 ? 4.547 19.000 13.600 1.00 0.00 ? 17 ALA A CB 1 ATOM 249 H H . ALA A 1 17 ? 5.869 16.791 13.519 1.00 0.00 ? 17 ALA A H 1 ATOM 250 H HA . ALA A 1 17 ? 6.602 19.561 14.002 1.00 0.00 ? 17 ALA A HA 1 ATOM 251 H HB1 . ALA A 1 17 ? 4.640 19.031 12.493 1.00 0.00 ? 17 ALA A HB1 1 ATOM 252 H HB2 . ALA A 1 17 ? 3.819 18.191 13.849 1.00 0.00 ? 17 ALA A HB2 1 ATOM 253 H HB3 . ALA A 1 17 ? 4.117 19.973 13.928 1.00 0.00 ? 17 ALA A HB3 1 ATOM 254 N N . LYS A 1 18 ? 5.858 17.494 16.351 1.00 0.00 ? 18 LYS A N 1 ATOM 255 C CA . LYS A 1 18 ? 5.644 17.289 17.772 1.00 0.00 ? 18 LYS A CA 1 ATOM 256 C C . LYS A 1 18 ? 6.965 17.395 18.492 1.00 0.00 ? 18 LYS A C 1 ATOM 257 O O . LYS A 1 18 ? 7.084 18.107 19.476 1.00 0.00 ? 18 LYS A O 1 ATOM 258 C CB . LYS A 1 18 ? 4.946 15.945 18.110 1.00 0.00 ? 18 LYS A CB 1 ATOM 259 C CG . LYS A 1 18 ? 4.327 15.947 19.521 1.00 0.00 ? 18 LYS A CG 1 ATOM 260 C CD . LYS A 1 18 ? 4.421 14.604 20.243 1.00 0.00 ? 18 LYS A CD 1 ATOM 261 C CE . LYS A 1 18 ? 3.882 14.698 21.678 1.00 0.00 ? 18 LYS A CE 1 ATOM 262 N NZ . LYS A 1 18 ? 4.024 13.388 22.349 1.00 0.00 ? 18 LYS A NZ 1 ATOM 263 H H . LYS A 1 18 ? 6.068 16.663 15.834 1.00 0.00 ? 18 LYS A H 1 ATOM 264 H HA . LYS A 1 18 ? 5.009 18.082 18.154 1.00 0.00 ? 18 LYS A HA 1 ATOM 265 H HB2 . LYS A 1 18 ? 4.113 15.788 17.390 1.00 0.00 ? 18 LYS A HB2 1 ATOM 266 H HB3 . LYS A 1 18 ? 5.644 15.086 17.984 1.00 0.00 ? 18 LYS A HB3 1 ATOM 267 H HG2 . LYS A 1 18 ? 4.860 16.686 20.158 1.00 0.00 ? 18 LYS A HG2 1 ATOM 268 H HG3 . LYS A 1 18 ? 3.267 16.281 19.457 1.00 0.00 ? 18 LYS A HG3 1 ATOM 269 H HD2 . LYS A 1 18 ? 3.865 13.841 19.653 1.00 0.00 ? 18 LYS A HD2 1 ATOM 270 H HD3 . LYS A 1 18 ? 5.500 14.325 20.266 1.00 0.00 ? 18 LYS A HD3 1 ATOM 271 H HE2 . LYS A 1 18 ? 4.439 15.459 22.269 1.00 0.00 ? 18 LYS A HE2 1 ATOM 272 H HE3 . LYS A 1 18 ? 2.802 14.967 21.666 1.00 0.00 ? 18 LYS A HE3 1 ATOM 273 H HZ1 . LYS A 1 18 ? 3.615 12.680 21.708 1.00 0.00 ? 18 LYS A HZ1 1 ATOM 274 H HZ2 . LYS A 1 18 ? 5.035 13.176 22.475 1.00 0.00 ? 18 LYS A HZ2 1 ATOM 275 H HZ3 . LYS A 1 18 ? 3.535 13.368 23.269 1.00 0.00 ? 18 LYS A HZ3 1 ATOM 276 N N . ASP A 1 19 ? 8.048 16.774 17.950 1.00 0.00 ? 19 ASP A N 1 ATOM 277 C CA . ASP A 1 19 ? 9.395 16.866 18.528 1.00 0.00 ? 19 ASP A CA 1 ATOM 278 C C . ASP A 1 19 ? 10.159 18.052 17.950 1.00 0.00 ? 19 ASP A C 1 ATOM 279 O O . ASP A 1 19 ? 11.369 18.185 18.109 1.00 0.00 ? 19 ASP A O 1 ATOM 280 C CB . ASP A 1 19 ? 10.216 15.535 18.473 1.00 0.00 ? 19 ASP A CB 1 ATOM 281 C CG . ASP A 1 19 ? 9.678 14.568 19.541 1.00 0.00 ? 19 ASP A CG 1 ATOM 282 O OD1 . ASP A 1 19 ? 9.617 14.974 20.735 1.00 0.00 ? 19 ASP A OD1 1 ATOM 283 O OD2 . ASP A 1 19 ? 9.300 13.415 19.196 1.00 0.00 ? 19 ASP A OD2 1 ATOM 284 H H . ASP A 1 19 ? 7.959 16.231 17.115 1.00 0.00 ? 19 ASP A H 1 ATOM 285 H HA . ASP A 1 19 ? 9.308 17.096 19.580 1.00 0.00 ? 19 ASP A HA 1 ATOM 286 H HB2 . ASP A 1 19 ? 10.175 15.072 17.462 1.00 0.00 ? 19 ASP A HB2 1 ATOM 287 H HB3 . ASP A 1 19 ? 11.284 15.699 18.736 1.00 0.00 ? 19 ASP A HB3 1 ATOM 288 N N . ALA A 1 20 ? 9.396 18.983 17.315 1.00 0.00 ? 20 ALA A N 1 ATOM 289 C CA . ALA A 1 20 ? 9.746 20.343 16.954 1.00 0.00 ? 20 ALA A CA 1 ATOM 290 C C . ALA A 1 20 ? 9.395 21.357 18.031 1.00 0.00 ? 20 ALA A C 1 ATOM 291 O O . ALA A 1 20 ? 10.147 22.317 18.201 1.00 0.00 ? 20 ALA A O 1 ATOM 292 C CB . ALA A 1 20 ? 9.060 20.799 15.648 1.00 0.00 ? 20 ALA A CB 1 ATOM 293 H H . ALA A 1 20 ? 8.433 18.761 17.189 1.00 0.00 ? 20 ALA A H 1 ATOM 294 H HA . ALA A 1 20 ? 10.818 20.385 16.805 1.00 0.00 ? 20 ALA A HA 1 ATOM 295 H HB1 . ALA A 1 20 ? 9.319 20.087 14.837 1.00 0.00 ? 20 ALA A HB1 1 ATOM 296 H HB2 . ALA A 1 20 ? 7.950 20.839 15.733 1.00 0.00 ? 20 ALA A HB2 1 ATOM 297 H HB3 . ALA A 1 20 ? 9.421 21.802 15.327 1.00 0.00 ? 20 ALA A HB3 1 ATOM 298 N N . GLU A 1 21 ? 8.237 21.174 18.768 1.00 0.00 ? 21 GLU A N 1 ATOM 299 C CA . GLU A 1 21 ? 7.728 22.087 19.814 1.00 0.00 ? 21 GLU A CA 1 ATOM 300 C C . GLU A 1 21 ? 8.424 21.820 21.127 1.00 0.00 ? 21 GLU A C 1 ATOM 301 O O . GLU A 1 21 ? 8.596 22.688 21.983 1.00 0.00 ? 21 GLU A O 1 ATOM 302 C CB . GLU A 1 21 ? 6.171 21.991 20.122 1.00 0.00 ? 21 GLU A CB 1 ATOM 303 C CG . GLU A 1 21 ? 5.650 20.772 20.965 1.00 0.00 ? 21 GLU A CG 1 ATOM 304 C CD . GLU A 1 21 ? 4.219 20.909 21.469 1.00 0.00 ? 21 GLU A CD 1 ATOM 305 O OE1 . GLU A 1 21 ? 3.925 21.888 22.218 1.00 0.00 ? 21 GLU A OE1 1 ATOM 306 O OE2 . GLU A 1 21 ? 3.419 19.986 21.166 1.00 0.00 ? 21 GLU A OE2 1 ATOM 307 H H . GLU A 1 21 ? 7.635 20.399 18.575 1.00 0.00 ? 21 GLU A H 1 ATOM 308 H HA . GLU A 1 21 ? 7.948 23.104 19.510 1.00 0.00 ? 21 GLU A HA 1 ATOM 309 H HB2 . GLU A 1 21 ? 5.866 22.912 20.670 1.00 0.00 ? 21 GLU A HB2 1 ATOM 310 H HB3 . GLU A 1 21 ? 5.615 21.995 19.158 1.00 0.00 ? 21 GLU A HB3 1 ATOM 311 H HG2 . GLU A 1 21 ? 5.735 19.839 20.373 1.00 0.00 ? 21 GLU A HG2 1 ATOM 312 H HG3 . GLU A 1 21 ? 6.211 20.624 21.911 1.00 0.00 ? 21 GLU A HG3 1 ATOM 313 N N . ASN A 1 22 ? 8.814 20.523 21.282 1.00 0.00 ? 22 ASN A N 1 ATOM 314 C CA . ASN A 1 22 ? 9.167 19.825 22.517 1.00 0.00 ? 22 ASN A CA 1 ATOM 315 C C . ASN A 1 22 ? 10.449 20.340 23.124 1.00 0.00 ? 22 ASN A C 1 ATOM 316 O O . ASN A 1 22 ? 10.630 20.298 24.333 1.00 0.00 ? 22 ASN A O 1 ATOM 317 C CB . ASN A 1 22 ? 9.264 18.271 22.313 1.00 0.00 ? 22 ASN A CB 1 ATOM 318 C CG . ASN A 1 22 ? 7.877 17.616 22.371 1.00 0.00 ? 22 ASN A CG 1 ATOM 319 O OD1 . ASN A 1 22 ? 6.913 18.253 22.789 1.00 0.00 ? 22 ASN A OD1 1 ATOM 320 N ND2 . ASN A 1 22 ? 7.748 16.322 21.991 1.00 0.00 ? 22 ASN A ND2 1 ATOM 321 H H . ASN A 1 22 ? 8.663 19.921 20.497 1.00 0.00 ? 22 ASN A H 1 ATOM 322 H HA . ASN A 1 22 ? 8.395 20.049 23.245 1.00 0.00 ? 22 ASN A HA 1 ATOM 323 H HB2 . ASN A 1 22 ? 9.749 18.030 21.342 1.00 0.00 ? 22 ASN A HB2 1 ATOM 324 H HB3 . ASN A 1 22 ? 9.845 17.764 23.114 1.00 0.00 ? 22 ASN A HB3 1 ATOM 325 H HD21 . ASN A 1 22 ? 8.547 15.824 21.570 1.00 0.00 ? 22 ASN A HD21 1 ATOM 326 H HD22 . ASN A 1 22 ? 6.872 15.862 22.082 1.00 0.00 ? 22 ASN A HD22 1 ATOM 327 N N . ALA A 1 23 ? 11.315 20.964 22.284 1.00 0.00 ? 23 ALA A N 1 ATOM 328 C CA . ALA A 1 23 ? 12.554 21.609 22.691 1.00 0.00 ? 23 ALA A CA 1 ATOM 329 C C . ALA A 1 23 ? 12.321 23.003 23.262 1.00 0.00 ? 23 ALA A C 1 ATOM 330 O O . ALA A 1 23 ? 13.035 23.435 24.160 1.00 0.00 ? 23 ALA A O 1 ATOM 331 C CB . ALA A 1 23 ? 13.575 21.697 21.526 1.00 0.00 ? 23 ALA A CB 1 ATOM 332 H H . ALA A 1 23 ? 11.076 21.023 21.319 1.00 0.00 ? 23 ALA A H 1 ATOM 333 H HA . ALA A 1 23 ? 13.010 21.011 23.474 1.00 0.00 ? 23 ALA A HA 1 ATOM 334 H HB1 . ALA A 1 23 ? 13.748 20.673 21.127 1.00 0.00 ? 23 ALA A HB1 1 ATOM 335 H HB2 . ALA A 1 23 ? 13.209 22.327 20.683 1.00 0.00 ? 23 ALA A HB2 1 ATOM 336 H HB3 . ALA A 1 23 ? 14.559 22.093 21.868 1.00 0.00 ? 23 ALA A HB3 1 ATOM 337 N N . SER A 1 24 ? 11.270 23.732 22.788 1.00 0.00 ? 24 SER A N 1 ATOM 338 C CA . SER A 1 24 ? 10.864 25.054 23.251 1.00 0.00 ? 24 SER A CA 1 ATOM 339 C C . SER A 1 24 ? 9.863 24.980 24.376 1.00 0.00 ? 24 SER A C 1 ATOM 340 O O . SER A 1 24 ? 9.638 25.964 25.068 1.00 0.00 ? 24 SER A O 1 ATOM 341 C CB . SER A 1 24 ? 10.286 25.942 22.118 1.00 0.00 ? 24 SER A CB 1 ATOM 342 O OG . SER A 1 24 ? 11.207 26.008 21.034 1.00 0.00 ? 24 SER A OG 1 ATOM 343 H H . SER A 1 24 ? 10.690 23.370 22.061 1.00 0.00 ? 24 SER A H 1 ATOM 344 H HA . SER A 1 24 ? 11.726 25.557 23.663 1.00 0.00 ? 24 SER A HA 1 ATOM 345 H HB2 . SER A 1 24 ? 9.322 25.540 21.729 1.00 0.00 ? 24 SER A HB2 1 ATOM 346 H HB3 . SER A 1 24 ? 10.106 26.979 22.492 1.00 0.00 ? 24 SER A HB3 1 ATOM 347 H HG . SER A 1 24 ? 11.389 26.946 20.903 1.00 0.00 ? 24 SER A HG 1 ATOM 348 N N . LYS A 1 25 ? 9.273 23.771 24.619 1.00 0.00 ? 25 LYS A N 1 ATOM 349 C CA . LYS A 1 25 ? 8.520 23.416 25.817 1.00 0.00 ? 25 LYS A CA 1 ATOM 350 C C . LYS A 1 25 ? 9.422 23.235 27.022 1.00 0.00 ? 25 LYS A C 1 ATOM 351 O O . LYS A 1 25 ? 9.132 23.749 28.100 1.00 0.00 ? 25 LYS A O 1 ATOM 352 C CB . LYS A 1 25 ? 7.714 22.100 25.603 1.00 0.00 ? 25 LYS A CB 1 ATOM 353 C CG . LYS A 1 25 ? 6.366 22.312 24.912 1.00 0.00 ? 25 LYS A CG 1 ATOM 354 C CD . LYS A 1 25 ? 5.440 23.131 25.821 1.00 0.00 ? 25 LYS A CD 1 ATOM 355 C CE . LYS A 1 25 ? 3.963 23.150 25.424 1.00 0.00 ? 25 LYS A CE 1 ATOM 356 N NZ . LYS A 1 25 ? 3.822 23.633 24.036 1.00 0.00 ? 25 LYS A NZ 1 ATOM 357 H H . LYS A 1 25 ? 9.320 23.038 23.936 1.00 0.00 ? 25 LYS A H 1 ATOM 358 H HA . LYS A 1 25 ? 7.869 24.244 26.063 1.00 0.00 ? 25 LYS A HA 1 ATOM 359 H HB2 . LYS A 1 25 ? 8.335 21.394 25.013 1.00 0.00 ? 25 LYS A HB2 1 ATOM 360 H HB3 . LYS A 1 25 ? 7.453 21.593 26.561 1.00 0.00 ? 25 LYS A HB3 1 ATOM 361 H HG2 . LYS A 1 25 ? 6.533 22.814 23.932 1.00 0.00 ? 25 LYS A HG2 1 ATOM 362 H HG3 . LYS A 1 25 ? 5.899 21.319 24.731 1.00 0.00 ? 25 LYS A HG3 1 ATOM 363 H HD2 . LYS A 1 25 ? 5.536 22.691 26.836 1.00 0.00 ? 25 LYS A HD2 1 ATOM 364 H HD3 . LYS A 1 25 ? 5.823 24.174 25.872 1.00 0.00 ? 25 LYS A HD3 1 ATOM 365 H HE2 . LYS A 1 25 ? 3.513 22.134 25.488 1.00 0.00 ? 25 LYS A HE2 1 ATOM 366 H HE3 . LYS A 1 25 ? 3.403 23.843 26.090 1.00 0.00 ? 25 LYS A HE3 1 ATOM 367 H HZ1 . LYS A 1 25 ? 4.485 24.406 23.836 1.00 0.00 ? 25 LYS A HZ1 1 ATOM 368 H HZ2 . LYS A 1 25 ? 4.013 22.831 23.335 1.00 0.00 ? 25 LYS A HZ2 1 ATOM 369 H HZ3 . LYS A 1 25 ? 2.850 23.929 23.844 1.00 0.00 ? 25 LYS A HZ3 1 ATOM 370 N N . GLU A 1 26 ? 10.585 22.554 26.792 1.00 0.00 ? 26 GLU A N 1 ATOM 371 C CA . GLU A 1 26 ? 11.707 22.464 27.730 1.00 0.00 ? 26 GLU A CA 1 ATOM 372 C C . GLU A 1 26 ? 12.460 23.784 27.870 1.00 0.00 ? 26 GLU A C 1 ATOM 373 O O . GLU A 1 26 ? 12.506 24.376 28.946 1.00 0.00 ? 26 GLU A O 1 ATOM 374 C CB . GLU A 1 26 ? 12.740 21.361 27.335 1.00 0.00 ? 26 GLU A CB 1 ATOM 375 C CG . GLU A 1 26 ? 12.164 19.929 27.224 1.00 0.00 ? 26 GLU A CG 1 ATOM 376 C CD . GLU A 1 26 ? 13.219 18.989 26.606 1.00 0.00 ? 26 GLU A CD 1 ATOM 377 O OE1 . GLU A 1 26 ? 13.840 19.428 25.598 1.00 0.00 ? 26 GLU A OE1 1 ATOM 378 O OE2 . GLU A 1 26 ? 13.441 17.862 27.133 1.00 0.00 ? 26 GLU A OE2 1 ATOM 379 H H . GLU A 1 26 ? 10.707 22.069 25.922 1.00 0.00 ? 26 GLU A H 1 ATOM 380 H HA . GLU A 1 26 ? 11.312 22.240 28.711 1.00 0.00 ? 26 GLU A HA 1 ATOM 381 H HB2 . GLU A 1 26 ? 13.197 21.612 26.350 1.00 0.00 ? 26 GLU A HB2 1 ATOM 382 H HB3 . GLU A 1 26 ? 13.563 21.302 28.087 1.00 0.00 ? 26 GLU A HB3 1 ATOM 383 H HG2 . GLU A 1 26 ? 11.860 19.551 28.222 1.00 0.00 ? 26 GLU A HG2 1 ATOM 384 H HG3 . GLU A 1 26 ? 11.275 19.912 26.567 1.00 0.00 ? 26 GLU A HG3 1 ATOM 385 N N . ALA A 1 27 ? 13.024 24.336 26.758 1.00 0.00 ? 27 ALA A N 1 ATOM 386 C CA . ALA A 1 27 ? 13.820 25.555 26.753 1.00 0.00 ? 27 ALA A CA 1 ATOM 387 C C . ALA A 1 27 ? 12.973 26.804 26.545 1.00 0.00 ? 27 ALA A C 1 ATOM 388 O O . ALA A 1 27 ? 13.358 27.731 25.832 1.00 0.00 ? 27 ALA A O 1 ATOM 389 C CB . ALA A 1 27 ? 14.966 25.507 25.711 1.00 0.00 ? 27 ALA A CB 1 ATOM 390 H H . ALA A 1 27 ? 12.968 23.882 25.854 1.00 0.00 ? 27 ALA A H 1 ATOM 391 H HA . ALA A 1 27 ? 14.307 25.649 27.716 1.00 0.00 ? 27 ALA A HA 1 ATOM 392 H HB1 . ALA A 1 27 ? 15.611 24.629 25.925 1.00 0.00 ? 27 ALA A HB1 1 ATOM 393 H HB2 . ALA A 1 27 ? 14.579 25.407 24.672 1.00 0.00 ? 27 ALA A HB2 1 ATOM 394 H HB3 . ALA A 1 27 ? 15.611 26.412 25.758 1.00 0.00 ? 27 ALA A HB3 1 ATOM 395 N N . GLU A 1 28 ? 11.824 26.848 27.286 1.00 0.00 ? 28 GLU A N 1 ATOM 396 C CA . GLU A 1 28 ? 10.917 27.950 27.574 1.00 0.00 ? 28 GLU A CA 1 ATOM 397 C C . GLU A 1 28 ? 11.384 28.631 28.836 1.00 0.00 ? 28 GLU A C 1 ATOM 398 O O . GLU A 1 28 ? 11.296 29.854 28.970 1.00 0.00 ? 28 GLU A O 1 ATOM 399 C CB . GLU A 1 28 ? 9.451 27.475 27.915 1.00 0.00 ? 28 GLU A CB 1 ATOM 400 C CG . GLU A 1 28 ? 8.376 28.600 28.020 1.00 0.00 ? 28 GLU A CG 1 ATOM 401 C CD . GLU A 1 28 ? 7.247 28.157 28.949 1.00 0.00 ? 28 GLU A CD 1 ATOM 402 O OE1 . GLU A 1 28 ? 6.370 27.355 28.545 1.00 0.00 ? 28 GLU A OE1 1 ATOM 403 O OE2 . GLU A 1 28 ? 7.279 28.589 30.135 1.00 0.00 ? 28 GLU A OE2 1 ATOM 404 H H . GLU A 1 28 ? 11.560 25.977 27.704 1.00 0.00 ? 28 GLU A H 1 ATOM 405 H HA . GLU A 1 28 ? 10.917 28.649 26.747 1.00 0.00 ? 28 GLU A HA 1 ATOM 406 H HB2 . GLU A 1 28 ? 9.074 26.803 27.122 1.00 0.00 ? 28 GLU A HB2 1 ATOM 407 H HB3 . GLU A 1 28 ? 9.434 26.855 28.844 1.00 0.00 ? 28 GLU A HB3 1 ATOM 408 H HG2 . GLU A 1 28 ? 8.800 29.538 28.433 1.00 0.00 ? 28 GLU A HG2 1 ATOM 409 H HG3 . GLU A 1 28 ? 7.966 28.837 27.015 1.00 0.00 ? 28 GLU A HG3 1 ATOM 410 N N . GLU A 1 29 ? 11.839 27.792 29.826 1.00 0.00 ? 29 GLU A N 1 ATOM 411 C CA . GLU A 1 29 ? 11.803 27.985 31.282 1.00 0.00 ? 29 GLU A CA 1 ATOM 412 C C . GLU A 1 29 ? 12.690 29.099 31.820 1.00 0.00 ? 29 GLU A C 1 ATOM 413 O O . GLU A 1 29 ? 12.587 29.496 32.978 1.00 0.00 ? 29 GLU A O 1 ATOM 414 C CB . GLU A 1 29 ? 12.072 26.634 32.064 1.00 0.00 ? 29 GLU A CB 1 ATOM 415 C CG . GLU A 1 29 ? 11.839 26.643 33.609 1.00 0.00 ? 29 GLU A CG 1 ATOM 416 C CD . GLU A 1 29 ? 11.888 25.240 34.238 1.00 0.00 ? 29 GLU A CD 1 ATOM 417 O OE1 . GLU A 1 29 ? 12.998 24.791 34.630 1.00 0.00 ? 29 GLU A OE1 1 ATOM 418 O OE2 . GLU A 1 29 ? 10.794 24.622 34.357 1.00 0.00 ? 29 GLU A OE2 1 ATOM 419 H H . GLU A 1 29 ? 12.020 26.841 29.571 1.00 0.00 ? 29 GLU A H 1 ATOM 420 H HA . GLU A 1 29 ? 10.788 28.279 31.512 1.00 0.00 ? 29 GLU A HA 1 ATOM 421 H HB2 . GLU A 1 29 ? 11.379 25.863 31.659 1.00 0.00 ? 29 GLU A HB2 1 ATOM 422 H HB3 . GLU A 1 29 ? 13.105 26.266 31.873 1.00 0.00 ? 29 GLU A HB3 1 ATOM 423 H HG2 . GLU A 1 29 ? 12.612 27.257 34.120 1.00 0.00 ? 29 GLU A HG2 1 ATOM 424 H HG3 . GLU A 1 29 ? 10.851 27.093 33.842 1.00 0.00 ? 29 GLU A HG3 1 ATOM 425 N N . ALA A 1 30 ? 13.569 29.681 30.962 1.00 0.00 ? 30 ALA A N 1 ATOM 426 C CA . ALA A 1 30 ? 14.383 30.854 31.271 1.00 0.00 ? 30 ALA A CA 1 ATOM 427 C C . ALA A 1 30 ? 13.673 32.152 30.905 1.00 0.00 ? 30 ALA A C 1 ATOM 428 O O . ALA A 1 30 ? 13.993 33.216 31.435 1.00 0.00 ? 30 ALA A O 1 ATOM 429 C CB . ALA A 1 30 ? 15.759 30.821 30.558 1.00 0.00 ? 30 ALA A CB 1 ATOM 430 H H . ALA A 1 30 ? 13.570 29.349 30.021 1.00 0.00 ? 30 ALA A H 1 ATOM 431 H HA . ALA A 1 30 ? 14.580 30.885 32.336 1.00 0.00 ? 30 ALA A HA 1 ATOM 432 H HB1 . ALA A 1 30 ? 16.312 29.911 30.871 1.00 0.00 ? 30 ALA A HB1 1 ATOM 433 H HB2 . ALA A 1 30 ? 15.656 30.793 29.451 1.00 0.00 ? 30 ALA A HB2 1 ATOM 434 H HB3 . ALA A 1 30 ? 16.386 31.699 30.834 1.00 0.00 ? 30 ALA A HB3 1 ATOM 435 N N . ALA A 1 31 ? 12.698 32.081 29.955 1.00 0.00 ? 31 ALA A N 1 ATOM 436 C CA . ALA A 1 31 ? 11.778 33.151 29.591 1.00 0.00 ? 31 ALA A CA 1 ATOM 437 C C . ALA A 1 31 ? 10.507 33.056 30.412 1.00 0.00 ? 31 ALA A C 1 ATOM 438 O O . ALA A 1 31 ? 10.220 33.904 31.255 1.00 0.00 ? 31 ALA A O 1 ATOM 439 C CB . ALA A 1 31 ? 11.437 33.146 28.076 1.00 0.00 ? 31 ALA A CB 1 ATOM 440 H H . ALA A 1 31 ? 12.451 31.203 29.529 1.00 0.00 ? 31 ALA A H 1 ATOM 441 H HA . ALA A 1 31 ? 12.232 34.108 29.815 1.00 0.00 ? 31 ALA A HA 1 ATOM 442 H HB1 . ALA A 1 31 ? 10.985 32.188 27.730 1.00 0.00 ? 31 ALA A HB1 1 ATOM 443 H HB2 . ALA A 1 31 ? 10.733 33.965 27.807 1.00 0.00 ? 31 ALA A HB2 1 ATOM 444 H HB3 . ALA A 1 31 ? 12.365 33.307 27.487 1.00 0.00 ? 31 ALA A HB3 1 ATOM 445 N N . LYS A 1 32 ? 9.726 31.972 30.154 1.00 0.00 ? 32 LYS A N 1 ATOM 446 C CA . LYS A 1 32 ? 8.470 31.600 30.797 1.00 0.00 ? 32 LYS A CA 1 ATOM 447 C C . LYS A 1 32 ? 7.260 32.326 30.215 1.00 0.00 ? 32 LYS A C 1 ATOM 448 O O . LYS A 1 32 ? 6.595 33.127 30.870 1.00 0.00 ? 32 LYS A O 1 ATOM 449 C CB . LYS A 1 32 ? 8.475 31.592 32.365 1.00 0.00 ? 32 LYS A CB 1 ATOM 450 C CG . LYS A 1 32 ? 7.618 30.472 33.009 1.00 0.00 ? 32 LYS A CG 1 ATOM 451 C CD . LYS A 1 32 ? 8.374 29.133 33.053 1.00 0.00 ? 32 LYS A CD 1 ATOM 452 C CE . LYS A 1 32 ? 7.565 27.864 33.397 1.00 0.00 ? 32 LYS A CE 1 ATOM 453 N NZ . LYS A 1 32 ? 6.607 27.498 32.314 1.00 0.00 ? 32 LYS A NZ 1 ATOM 454 H H . LYS A 1 32 ? 10.080 31.286 29.505 1.00 0.00 ? 32 LYS A H 1 ATOM 455 H HA . LYS A 1 32 ? 8.348 30.571 30.519 1.00 0.00 ? 32 LYS A HA 1 ATOM 456 H HB2 . LYS A 1 32 ? 9.516 31.404 32.710 1.00 0.00 ? 32 LYS A HB2 1 ATOM 457 H HB3 . LYS A 1 32 ? 8.201 32.594 32.762 1.00 0.00 ? 32 LYS A HB3 1 ATOM 458 H HG2 . LYS A 1 32 ? 7.355 30.764 34.048 1.00 0.00 ? 32 LYS A HG2 1 ATOM 459 H HG3 . LYS A 1 32 ? 6.671 30.368 32.435 1.00 0.00 ? 32 LYS A HG3 1 ATOM 460 H HD2 . LYS A 1 32 ? 8.841 28.974 32.057 1.00 0.00 ? 32 LYS A HD2 1 ATOM 461 H HD3 . LYS A 1 32 ? 9.207 29.228 33.783 1.00 0.00 ? 32 LYS A HD3 1 ATOM 462 H HE2 . LYS A 1 32 ? 8.282 27.019 33.488 1.00 0.00 ? 32 LYS A HE2 1 ATOM 463 H HE3 . LYS A 1 32 ? 7.004 27.965 34.351 1.00 0.00 ? 32 LYS A HE3 1 ATOM 464 H HZ1 . LYS A 1 32 ? 6.945 27.954 31.391 1.00 0.00 ? 32 LYS A HZ1 1 ATOM 465 H HZ2 . LYS A 1 32 ? 6.603 26.467 32.162 1.00 0.00 ? 32 LYS A HZ2 1 ATOM 466 H HZ3 . LYS A 1 32 ? 5.647 27.853 32.496 1.00 0.00 ? 32 LYS A HZ3 1 ATOM 467 N N . GLU A 1 33 ? 6.886 32.043 28.940 1.00 0.00 ? 33 GLU A N 1 ATOM 468 C CA . GLU A 1 33 ? 5.919 32.791 28.126 1.00 0.00 ? 33 GLU A CA 1 ATOM 469 C C . GLU A 1 33 ? 4.465 32.382 28.330 1.00 0.00 ? 33 GLU A C 1 ATOM 470 O O . GLU A 1 33 ? 3.632 32.380 27.426 1.00 0.00 ? 33 GLU A O 1 ATOM 471 C CB . GLU A 1 33 ? 6.307 32.718 26.638 1.00 0.00 ? 33 GLU A CB 1 ATOM 472 C CG . GLU A 1 33 ? 7.594 33.526 26.376 1.00 0.00 ? 33 GLU A CG 1 ATOM 473 C CD . GLU A 1 33 ? 8.333 32.899 25.222 1.00 0.00 ? 33 GLU A CD 1 ATOM 474 O OE1 . GLU A 1 33 ? 8.969 31.856 25.524 1.00 0.00 ? 33 GLU A OE1 1 ATOM 475 O OE2 . GLU A 1 33 ? 8.274 33.423 24.072 1.00 0.00 ? 33 GLU A OE2 1 ATOM 476 H H . GLU A 1 33 ? 7.387 31.343 28.439 1.00 0.00 ? 33 GLU A H 1 ATOM 477 H HA . GLU A 1 33 ? 5.978 33.835 28.401 1.00 0.00 ? 33 GLU A HA 1 ATOM 478 H HB2 . GLU A 1 33 ? 6.442 31.648 26.354 1.00 0.00 ? 33 GLU A HB2 1 ATOM 479 H HB3 . GLU A 1 33 ? 5.521 33.151 25.982 1.00 0.00 ? 33 GLU A HB3 1 ATOM 480 H HG2 . GLU A 1 33 ? 7.342 34.583 26.156 1.00 0.00 ? 33 GLU A HG2 1 ATOM 481 H HG3 . GLU A 1 33 ? 8.273 33.495 27.254 1.00 0.00 ? 33 GLU A HG3 1 ATOM 482 N N . ALA A 1 34 ? 4.167 32.064 29.608 1.00 0.00 ? 34 ALA A N 1 ATOM 483 C CA . ALA A 1 34 ? 2.908 32.162 30.309 1.00 0.00 ? 34 ALA A CA 1 ATOM 484 C C . ALA A 1 34 ? 2.822 33.513 30.997 1.00 0.00 ? 34 ALA A C 1 ATOM 485 O O . ALA A 1 34 ? 1.756 34.116 31.079 1.00 0.00 ? 34 ALA A O 1 ATOM 486 C CB . ALA A 1 34 ? 2.744 31.032 31.361 1.00 0.00 ? 34 ALA A CB 1 ATOM 487 H H . ALA A 1 34 ? 4.973 32.023 30.188 1.00 0.00 ? 34 ALA A H 1 ATOM 488 H HA . ALA A 1 34 ? 2.094 32.100 29.595 1.00 0.00 ? 34 ALA A HA 1 ATOM 489 H HB1 . ALA A 1 34 ? 2.798 30.048 30.847 1.00 0.00 ? 34 ALA A HB1 1 ATOM 490 H HB2 . ALA A 1 34 ? 3.546 31.058 32.131 1.00 0.00 ? 34 ALA A HB2 1 ATOM 491 H HB3 . ALA A 1 34 ? 1.757 31.087 31.874 1.00 0.00 ? 34 ALA A HB3 1 ATOM 492 N N . VAL A 1 35 ? 3.973 34.003 31.549 1.00 0.00 ? 35 VAL A N 1 ATOM 493 C CA . VAL A 1 35 ? 4.033 35.096 32.512 1.00 0.00 ? 35 VAL A CA 1 ATOM 494 C C . VAL A 1 35 ? 4.810 36.254 31.911 1.00 0.00 ? 35 VAL A C 1 ATOM 495 O O . VAL A 1 35 ? 5.147 37.225 32.586 1.00 0.00 ? 35 VAL A O 1 ATOM 496 C CB . VAL A 1 35 ? 4.586 34.650 33.877 1.00 0.00 ? 35 VAL A CB 1 ATOM 497 C CG1 . VAL A 1 35 ? 3.556 33.699 34.522 1.00 0.00 ? 35 VAL A CG1 1 ATOM 498 C CG2 . VAL A 1 35 ? 5.952 33.926 33.775 1.00 0.00 ? 35 VAL A CG2 1 ATOM 499 H H . VAL A 1 35 ? 4.870 33.578 31.386 1.00 0.00 ? 35 VAL A H 1 ATOM 500 H HA . VAL A 1 35 ? 3.040 35.488 32.696 1.00 0.00 ? 35 VAL A HA 1 ATOM 501 H HB . VAL A 1 35 ? 4.693 35.533 34.550 1.00 0.00 ? 35 VAL A HB 1 ATOM 502 H HG11 . VAL A 1 35 ? 2.557 34.180 34.576 1.00 0.00 ? 35 VAL A HG11 1 ATOM 503 H HG12 . VAL A 1 35 ? 3.466 32.767 33.924 1.00 0.00 ? 35 VAL A HG12 1 ATOM 504 H HG13 . VAL A 1 35 ? 3.881 33.420 35.546 1.00 0.00 ? 35 VAL A HG13 1 ATOM 505 H HG21 . VAL A 1 35 ? 6.720 34.556 33.274 1.00 0.00 ? 35 VAL A HG21 1 ATOM 506 H HG22 . VAL A 1 35 ? 6.327 33.681 34.793 1.00 0.00 ? 35 VAL A HG22 1 ATOM 507 H HG23 . VAL A 1 35 ? 5.857 32.972 33.214 1.00 0.00 ? 35 VAL A HG23 1 ATOM 508 N N . ASN A 1 36 ? 5.069 36.172 30.586 1.00 0.00 ? 36 ASN A N 1 ATOM 509 C CA . ASN A 1 36 ? 5.613 37.208 29.745 1.00 0.00 ? 36 ASN A CA 1 ATOM 510 C C . ASN A 1 36 ? 4.820 36.920 28.501 1.00 0.00 ? 36 ASN A C 1 ATOM 511 O O . ASN A 1 36 ? 4.506 35.756 28.273 1.00 0.00 ? 36 ASN A O 1 ATOM 512 C CB . ASN A 1 36 ? 7.154 37.094 29.466 1.00 0.00 ? 36 ASN A CB 1 ATOM 513 C CG . ASN A 1 36 ? 7.604 38.241 28.544 1.00 0.00 ? 36 ASN A CG 1 ATOM 514 O OD1 . ASN A 1 36 ? 7.001 39.309 28.623 1.00 0.00 ? 36 ASN A OD1 1 ATOM 515 N ND2 . ASN A 1 36 ? 8.570 38.037 27.621 1.00 0.00 ? 36 ASN A ND2 1 ATOM 516 H H . ASN A 1 36 ? 4.759 35.391 30.035 1.00 0.00 ? 36 ASN A H 1 ATOM 517 H HA . ASN A 1 36 ? 5.345 38.187 30.130 1.00 0.00 ? 36 ASN A HA 1 ATOM 518 H HB2 . ASN A 1 36 ? 7.706 37.205 30.421 1.00 0.00 ? 36 ASN A HB2 1 ATOM 519 H HB3 . ASN A 1 36 ? 7.419 36.101 29.036 1.00 0.00 ? 36 ASN A HB3 1 ATOM 520 H HD21 . ASN A 1 36 ? 8.968 37.130 27.506 1.00 0.00 ? 36 ASN A HD21 1 ATOM 521 H HD22 . ASN A 1 36 ? 8.616 38.714 26.854 1.00 0.00 ? 36 ASN A HD22 1 ATOM 522 N N . LEU A 1 37 ? 4.508 37.976 27.721 1.00 0.00 ? 37 LEU A N 1 ATOM 523 C CA . LEU A 1 37 ? 3.787 37.952 26.471 1.00 0.00 ? 37 LEU A CA 1 ATOM 524 C C . LEU A 1 37 ? 4.210 39.271 25.847 1.00 0.00 ? 37 LEU A C 1 ATOM 525 O O . LEU A 1 37 ? 3.384 40.012 25.318 1.00 0.00 ? 37 LEU A O 1 ATOM 526 C CB . LEU A 1 37 ? 2.212 37.884 26.628 1.00 0.00 ? 37 LEU A CB 1 ATOM 527 C CG . LEU A 1 37 ? 1.494 36.543 26.290 1.00 0.00 ? 37 LEU A CG 1 ATOM 528 C CD1 . LEU A 1 37 ? 1.854 36.005 24.891 1.00 0.00 ? 37 LEU A CD1 1 ATOM 529 C CD2 . LEU A 1 37 ? 1.588 35.435 27.358 1.00 0.00 ? 37 LEU A CD2 1 ATOM 530 H H . LEU A 1 37 ? 4.873 38.878 27.963 1.00 0.00 ? 37 LEU A H 1 ATOM 531 H HA . LEU A 1 37 ? 4.162 37.155 25.842 1.00 0.00 ? 37 LEU A HA 1 ATOM 532 H HB2 . LEU A 1 37 ? 1.944 38.195 27.660 1.00 0.00 ? 37 LEU A HB2 1 ATOM 533 H HB3 . LEU A 1 37 ? 1.687 38.598 25.953 1.00 0.00 ? 37 LEU A HB3 1 ATOM 534 H HG . LEU A 1 37 ? 0.413 36.806 26.260 1.00 0.00 ? 37 LEU A HG 1 ATOM 535 H HD11 . LEU A 1 37 ? 1.757 36.811 24.132 1.00 0.00 ? 37 LEU A HD11 1 ATOM 536 H HD12 . LEU A 1 37 ? 2.898 35.626 24.861 1.00 0.00 ? 37 LEU A HD12 1 ATOM 537 H HD13 . LEU A 1 37 ? 1.177 35.168 24.612 1.00 0.00 ? 37 LEU A HD13 1 ATOM 538 H HD21 . LEU A 1 37 ? 1.471 35.851 28.383 1.00 0.00 ? 37 LEU A HD21 1 ATOM 539 H HD22 . LEU A 1 37 ? 0.789 34.679 27.200 1.00 0.00 ? 37 LEU A HD22 1 ATOM 540 H HD23 . LEU A 1 37 ? 2.560 34.904 27.295 1.00 0.00 ? 37 LEU A HD23 1 ATOM 541 N N . LYS A 1 38 ? 5.514 39.634 25.929 1.00 0.00 ? 38 LYS A N 1 ATOM 542 C CA . LYS A 1 38 ? 6.031 40.868 25.383 1.00 0.00 ? 38 LYS A CA 1 ATOM 543 C C . LYS A 1 38 ? 7.472 40.570 24.973 1.00 0.00 ? 38 LYS A C 1 ATOM 544 O O . LYS A 1 38 ? 8.086 39.647 25.571 1.00 0.00 ? 38 LYS A O 1 ATOM 545 C CB . LYS A 1 38 ? 6.124 42.038 26.398 1.00 0.00 ? 38 LYS A CB 1 ATOM 546 C CG . LYS A 1 38 ? 4.804 42.776 26.629 1.00 0.00 ? 38 LYS A CG 1 ATOM 547 C CD . LYS A 1 38 ? 4.967 43.996 27.548 1.00 0.00 ? 38 LYS A CD 1 ATOM 548 C CE . LYS A 1 38 ? 3.807 44.998 27.475 1.00 0.00 ? 38 LYS A CE 1 ATOM 549 N NZ . LYS A 1 38 ? 3.672 45.534 26.095 1.00 0.00 ? 38 LYS A NZ 1 ATOM 550 O OXT . LYS A 1 38 ? 7.999 41.332 24.122 1.00 0.00 ? 38 LYS A OXT 1 ATOM 551 H H . LYS A 1 38 ? 6.262 39.079 26.314 1.00 0.00 ? 38 LYS A H 1 ATOM 552 H HA . LYS A 1 38 ? 5.493 41.164 24.491 1.00 0.00 ? 38 LYS A HA 1 ATOM 553 H HB2 . LYS A 1 38 ? 6.542 41.658 27.355 1.00 0.00 ? 38 LYS A HB2 1 ATOM 554 H HB3 . LYS A 1 38 ? 6.839 42.792 25.997 1.00 0.00 ? 38 LYS A HB3 1 ATOM 555 H HG2 . LYS A 1 38 ? 4.457 43.063 25.615 1.00 0.00 ? 38 LYS A HG2 1 ATOM 556 H HG3 . LYS A 1 38 ? 4.050 42.081 27.058 1.00 0.00 ? 38 LYS A HG3 1 ATOM 557 H HD2 . LYS A 1 38 ? 5.073 43.627 28.593 1.00 0.00 ? 38 LYS A HD2 1 ATOM 558 H HD3 . LYS A 1 38 ? 5.914 44.520 27.288 1.00 0.00 ? 38 LYS A HD3 1 ATOM 559 H HE2 . LYS A 1 38 ? 2.848 44.512 27.754 1.00 0.00 ? 38 LYS A HE2 1 ATOM 560 H HE3 . LYS A 1 38 ? 4.000 45.854 28.158 1.00 0.00 ? 38 LYS A HE3 1 ATOM 561 H HZ1 . LYS A 1 38 ? 4.600 45.876 25.772 1.00 0.00 ? 38 LYS A HZ1 1 ATOM 562 H HZ2 . LYS A 1 38 ? 3.371 44.751 25.479 1.00 0.00 ? 38 LYS A HZ2 1 ATOM 563 H HZ3 . LYS A 1 38 ? 2.976 46.305 26.054 1.00 0.00 ? 38 LYS A HZ3 1 ATOM 564 N N . GLU A 1 1 ? 7.173 4.425 2.451 1.00 0.00 ? 1 GLU A N 2 ATOM 565 C CA . GLU A 1 1 ? 6.428 4.435 3.753 1.00 0.00 ? 1 GLU A CA 2 ATOM 566 C C . GLU A 1 1 ? 6.925 3.695 4.981 1.00 0.00 ? 1 GLU A C 2 ATOM 567 O O . GLU A 1 1 ? 6.167 3.598 5.941 1.00 0.00 ? 1 GLU A O 2 ATOM 568 C CB . GLU A 1 1 ? 4.950 4.009 3.490 1.00 0.00 ? 1 GLU A CB 2 ATOM 569 C CG . GLU A 1 1 ? 4.137 5.202 2.962 1.00 0.00 ? 1 GLU A CG 2 ATOM 570 C CD . GLU A 1 1 ? 4.074 5.122 1.462 1.00 0.00 ? 1 GLU A CD 2 ATOM 571 O OE1 . GLU A 1 1 ? 5.205 4.959 0.914 1.00 0.00 ? 1 GLU A OE1 2 ATOM 572 O OE2 . GLU A 1 1 ? 2.967 5.208 0.875 1.00 0.00 ? 1 GLU A OE2 2 ATOM 573 H H1 . GLU A 1 1 ? 7.382 3.453 2.152 1.00 0.00 ? 1 GLU A H1 2 ATOM 574 H H2 . GLU A 1 1 ? 6.518 4.840 1.723 1.00 0.00 ? 1 GLU A H2 2 ATOM 575 H H3 . GLU A 1 1 ? 8.043 4.982 2.506 1.00 0.00 ? 1 GLU A H3 2 ATOM 576 H HA . GLU A 1 1 ? 6.416 5.473 4.052 1.00 0.00 ? 1 GLU A HA 2 ATOM 577 H HB2 . GLU A 1 1 ? 4.914 3.135 2.795 1.00 0.00 ? 1 GLU A HB2 2 ATOM 578 H HB3 . GLU A 1 1 ? 4.385 3.697 4.398 1.00 0.00 ? 1 GLU A HB3 2 ATOM 579 H HG2 . GLU A 1 1 ? 3.121 5.217 3.409 1.00 0.00 ? 1 GLU A HG2 2 ATOM 580 H HG3 . GLU A 1 1 ? 4.634 6.163 3.208 1.00 0.00 ? 1 GLU A HG3 2 ATOM 581 N N . ALA A 1 2 ? 8.170 3.172 5.073 1.00 0.00 ? 2 ALA A N 2 ATOM 582 C CA . ALA A 1 2 ? 8.613 2.565 6.318 1.00 0.00 ? 2 ALA A CA 2 ATOM 583 C C . ALA A 1 2 ? 10.094 2.802 6.360 1.00 0.00 ? 2 ALA A C 2 ATOM 584 O O . ALA A 1 2 ? 10.820 2.401 5.452 1.00 0.00 ? 2 ALA A O 2 ATOM 585 C CB . ALA A 1 2 ? 8.280 1.054 6.460 1.00 0.00 ? 2 ALA A CB 2 ATOM 586 H H . ALA A 1 2 ? 8.866 3.176 4.359 1.00 0.00 ? 2 ALA A H 2 ATOM 587 H HA . ALA A 1 2 ? 8.185 3.081 7.172 1.00 0.00 ? 2 ALA A HA 2 ATOM 588 H HB1 . ALA A 1 2 ? 8.719 0.438 5.642 1.00 0.00 ? 2 ALA A HB1 2 ATOM 589 H HB2 . ALA A 1 2 ? 8.627 0.640 7.436 1.00 0.00 ? 2 ALA A HB2 2 ATOM 590 H HB3 . ALA A 1 2 ? 7.177 0.919 6.429 1.00 0.00 ? 2 ALA A HB3 2 ATOM 591 N N . TYR A 1 3 ? 10.550 3.519 7.424 1.00 0.00 ? 3 TYR A N 2 ATOM 592 C CA . TYR A 1 3 ? 11.917 3.990 7.564 1.00 0.00 ? 3 TYR A CA 2 ATOM 593 C C . TYR A 1 3 ? 12.294 4.140 9.040 1.00 0.00 ? 3 TYR A C 2 ATOM 594 O O . TYR A 1 3 ? 13.389 4.622 9.331 1.00 0.00 ? 3 TYR A O 2 ATOM 595 C CB . TYR A 1 3 ? 12.152 5.330 6.771 1.00 0.00 ? 3 TYR A CB 2 ATOM 596 C CG . TYR A 1 3 ? 11.417 6.549 7.308 1.00 0.00 ? 3 TYR A CG 2 ATOM 597 C CD1 . TYR A 1 3 ? 10.022 6.710 7.184 1.00 0.00 ? 3 TYR A CD1 2 ATOM 598 C CD2 . TYR A 1 3 ? 12.142 7.545 7.989 1.00 0.00 ? 3 TYR A CD2 2 ATOM 599 C CE1 . TYR A 1 3 ? 9.365 7.802 7.766 1.00 0.00 ? 3 TYR A CE1 2 ATOM 600 C CE2 . TYR A 1 3 ? 11.500 8.641 8.573 1.00 0.00 ? 3 TYR A CE2 2 ATOM 601 C CZ . TYR A 1 3 ? 10.111 8.761 8.469 1.00 0.00 ? 3 TYR A CZ 2 ATOM 602 O OH . TYR A 1 3 ? 9.482 9.860 9.079 1.00 0.00 ? 3 TYR A OH 2 ATOM 603 H H . TYR A 1 3 ? 9.919 3.901 8.091 1.00 0.00 ? 3 TYR A H 2 ATOM 604 H HA . TYR A 1 3 ? 12.585 3.243 7.156 1.00 0.00 ? 3 TYR A HA 2 ATOM 605 H HB2 . TYR A 1 3 ? 13.236 5.568 6.734 1.00 0.00 ? 3 TYR A HB2 2 ATOM 606 H HB3 . TYR A 1 3 ? 11.825 5.194 5.721 1.00 0.00 ? 3 TYR A HB3 2 ATOM 607 H HD1 . TYR A 1 3 ? 9.431 5.976 6.658 1.00 0.00 ? 3 TYR A HD1 2 ATOM 608 H HD2 . TYR A 1 3 ? 13.213 7.455 8.093 1.00 0.00 ? 3 TYR A HD2 2 ATOM 609 H HE1 . TYR A 1 3 ? 8.291 7.894 7.682 1.00 0.00 ? 3 TYR A HE1 2 ATOM 610 H HE2 . TYR A 1 3 ? 12.071 9.386 9.113 1.00 0.00 ? 3 TYR A HE2 2 ATOM 611 H HH . TYR A 1 3 ? 8.537 9.789 8.933 1.00 0.00 ? 3 TYR A HH 2 ATOM 612 N N . LYS A 1 4 ? 11.371 3.760 9.973 1.00 0.00 ? 4 LYS A N 2 ATOM 613 C CA . LYS A 1 4 ? 11.288 4.072 11.409 1.00 0.00 ? 4 LYS A CA 2 ATOM 614 C C . LYS A 1 4 ? 10.307 5.220 11.591 1.00 0.00 ? 4 LYS A C 2 ATOM 615 O O . LYS A 1 4 ? 10.201 6.072 10.712 1.00 0.00 ? 4 LYS A O 2 ATOM 616 C CB . LYS A 1 4 ? 12.597 4.419 12.200 1.00 0.00 ? 4 LYS A CB 2 ATOM 617 C CG . LYS A 1 4 ? 13.665 3.305 12.250 1.00 0.00 ? 4 LYS A CG 2 ATOM 618 C CD . LYS A 1 4 ? 15.023 3.798 12.789 1.00 0.00 ? 4 LYS A CD 2 ATOM 619 C CE . LYS A 1 4 ? 16.057 4.206 11.716 1.00 0.00 ? 4 LYS A CE 2 ATOM 620 N NZ . LYS A 1 4 ? 15.547 5.246 10.778 1.00 0.00 ? 4 LYS A NZ 2 ATOM 621 H H . LYS A 1 4 ? 10.585 3.242 9.663 1.00 0.00 ? 4 LYS A H 2 ATOM 622 H HA . LYS A 1 4 ? 10.851 3.195 11.862 1.00 0.00 ? 4 LYS A HA 2 ATOM 623 H HB2 . LYS A 1 4 ? 13.050 5.333 11.761 1.00 0.00 ? 4 LYS A HB2 2 ATOM 624 H HB3 . LYS A 1 4 ? 12.364 4.651 13.269 1.00 0.00 ? 4 LYS A HB3 2 ATOM 625 H HG2 . LYS A 1 4 ? 13.277 2.516 12.934 1.00 0.00 ? 4 LYS A HG2 2 ATOM 626 H HG3 . LYS A 1 4 ? 13.814 2.828 11.257 1.00 0.00 ? 4 LYS A HG3 2 ATOM 627 H HD2 . LYS A 1 4 ? 14.855 4.619 13.520 1.00 0.00 ? 4 LYS A HD2 2 ATOM 628 H HD3 . LYS A 1 4 ? 15.485 2.956 13.353 1.00 0.00 ? 4 LYS A HD3 2 ATOM 629 H HE2 . LYS A 1 4 ? 16.963 4.618 12.214 1.00 0.00 ? 4 LYS A HE2 2 ATOM 630 H HE3 . LYS A 1 4 ? 16.354 3.318 11.113 1.00 0.00 ? 4 LYS A HE3 2 ATOM 631 H HZ1 . LYS A 1 4 ? 15.226 6.080 11.302 1.00 0.00 ? 4 LYS A HZ1 2 ATOM 632 H HZ2 . LYS A 1 4 ? 16.299 5.527 10.119 1.00 0.00 ? 4 LYS A HZ2 2 ATOM 633 H HZ3 . LYS A 1 4 ? 14.722 4.883 10.210 1.00 0.00 ? 4 LYS A HZ3 2 ATOM 634 N N . LYS A 1 5 ? 9.543 5.244 12.730 1.00 0.00 ? 5 LYS A N 2 ATOM 635 C CA . LYS A 1 5 ? 8.639 6.308 13.190 1.00 0.00 ? 5 LYS A CA 2 ATOM 636 C C . LYS A 1 5 ? 7.310 6.387 12.448 1.00 0.00 ? 5 LYS A C 2 ATOM 637 O O . LYS A 1 5 ? 6.445 7.229 12.713 1.00 0.00 ? 5 LYS A O 2 ATOM 638 C CB . LYS A 1 5 ? 9.287 7.721 13.286 1.00 0.00 ? 5 LYS A CB 2 ATOM 639 C CG . LYS A 1 5 ? 8.784 8.535 14.487 1.00 0.00 ? 5 LYS A CG 2 ATOM 640 C CD . LYS A 1 5 ? 9.831 8.596 15.605 1.00 0.00 ? 5 LYS A CD 2 ATOM 641 C CE . LYS A 1 5 ? 9.280 8.901 17.001 1.00 0.00 ? 5 LYS A CE 2 ATOM 642 N NZ . LYS A 1 5 ? 8.330 10.026 16.981 1.00 0.00 ? 5 LYS A NZ 2 ATOM 643 H H . LYS A 1 5 ? 9.634 4.503 13.394 1.00 0.00 ? 5 LYS A H 2 ATOM 644 H HA . LYS A 1 5 ? 8.401 6.015 14.200 1.00 0.00 ? 5 LYS A HA 2 ATOM 645 H HB2 . LYS A 1 5 ? 10.381 7.594 13.422 1.00 0.00 ? 5 LYS A HB2 2 ATOM 646 H HB3 . LYS A 1 5 ? 9.164 8.301 12.342 1.00 0.00 ? 5 LYS A HB3 2 ATOM 647 H HG2 . LYS A 1 5 ? 8.544 9.566 14.148 1.00 0.00 ? 5 LYS A HG2 2 ATOM 648 H HG3 . LYS A 1 5 ? 7.836 8.078 14.849 1.00 0.00 ? 5 LYS A HG3 2 ATOM 649 H HD2 . LYS A 1 5 ? 10.344 7.613 15.677 1.00 0.00 ? 5 LYS A HD2 2 ATOM 650 H HD3 . LYS A 1 5 ? 10.597 9.345 15.317 1.00 0.00 ? 5 LYS A HD3 2 ATOM 651 H HE2 . LYS A 1 5 ? 8.750 8.014 17.415 1.00 0.00 ? 5 LYS A HE2 2 ATOM 652 H HE3 . LYS A 1 5 ? 10.108 9.190 17.678 1.00 0.00 ? 5 LYS A HE3 2 ATOM 653 H HZ1 . LYS A 1 5 ? 8.361 10.597 16.124 1.00 0.00 ? 5 LYS A HZ1 2 ATOM 654 H HZ2 . LYS A 1 5 ? 7.357 9.548 16.937 1.00 0.00 ? 5 LYS A HZ2 2 ATOM 655 H HZ3 . LYS A 1 5 ? 8.361 10.594 17.846 1.00 0.00 ? 5 LYS A HZ3 2 ATOM 656 N N . ALA A 1 6 ? 7.126 5.446 11.487 1.00 0.00 ? 6 ALA A N 2 ATOM 657 C CA . ALA A 1 6 ? 6.100 5.370 10.463 1.00 0.00 ? 6 ALA A CA 2 ATOM 658 C C . ALA A 1 6 ? 4.828 4.732 10.990 1.00 0.00 ? 6 ALA A C 2 ATOM 659 O O . ALA A 1 6 ? 4.382 3.687 10.523 1.00 0.00 ? 6 ALA A O 2 ATOM 660 C CB . ALA A 1 6 ? 6.643 4.582 9.239 1.00 0.00 ? 6 ALA A CB 2 ATOM 661 H H . ALA A 1 6 ? 7.854 4.778 11.379 1.00 0.00 ? 6 ALA A H 2 ATOM 662 H HA . ALA A 1 6 ? 5.845 6.367 10.133 1.00 0.00 ? 6 ALA A HA 2 ATOM 663 H HB1 . ALA A 1 6 ? 7.540 5.101 8.842 1.00 0.00 ? 6 ALA A HB1 2 ATOM 664 H HB2 . ALA A 1 6 ? 6.941 3.549 9.520 1.00 0.00 ? 6 ALA A HB2 2 ATOM 665 H HB3 . ALA A 1 6 ? 5.897 4.515 8.416 1.00 0.00 ? 6 ALA A HB3 2 ATOM 666 N N . LYS A 1 7 ? 4.247 5.423 11.999 1.00 0.00 ? 7 LYS A N 2 ATOM 667 C CA . LYS A 1 7 ? 2.982 5.250 12.674 1.00 0.00 ? 7 LYS A CA 2 ATOM 668 C C . LYS A 1 7 ? 1.995 6.256 12.100 1.00 0.00 ? 7 LYS A C 2 ATOM 669 O O . LYS A 1 7 ? 2.397 7.339 11.682 1.00 0.00 ? 7 LYS A O 2 ATOM 670 C CB . LYS A 1 7 ? 3.143 5.575 14.184 1.00 0.00 ? 7 LYS A CB 2 ATOM 671 C CG . LYS A 1 7 ? 4.168 4.712 14.960 1.00 0.00 ? 7 LYS A CG 2 ATOM 672 C CD . LYS A 1 7 ? 3.549 3.823 16.055 1.00 0.00 ? 7 LYS A CD 2 ATOM 673 C CE . LYS A 1 7 ? 2.683 4.550 17.111 1.00 0.00 ? 7 LYS A CE 2 ATOM 674 N NZ . LYS A 1 7 ? 3.398 5.648 17.806 1.00 0.00 ? 7 LYS A NZ 2 ATOM 675 H H . LYS A 1 7 ? 4.742 6.240 12.309 1.00 0.00 ? 7 LYS A H 2 ATOM 676 H HA . LYS A 1 7 ? 2.613 4.240 12.522 1.00 0.00 ? 7 LYS A HA 2 ATOM 677 H HB2 . LYS A 1 7 ? 3.520 6.619 14.298 1.00 0.00 ? 7 LYS A HB2 2 ATOM 678 H HB3 . LYS A 1 7 ? 2.153 5.532 14.683 1.00 0.00 ? 7 LYS A HB3 2 ATOM 679 H HG2 . LYS A 1 7 ? 4.748 4.072 14.256 1.00 0.00 ? 7 LYS A HG2 2 ATOM 680 H HG3 . LYS A 1 7 ? 4.900 5.398 15.447 1.00 0.00 ? 7 LYS A HG3 2 ATOM 681 H HD2 . LYS A 1 7 ? 2.927 3.044 15.556 1.00 0.00 ? 7 LYS A HD2 2 ATOM 682 H HD3 . LYS A 1 7 ? 4.376 3.292 16.580 1.00 0.00 ? 7 LYS A HD3 2 ATOM 683 H HE2 . LYS A 1 7 ? 1.775 4.981 16.643 1.00 0.00 ? 7 LYS A HE2 2 ATOM 684 H HE3 . LYS A 1 7 ? 2.358 3.820 17.887 1.00 0.00 ? 7 LYS A HE3 2 ATOM 685 H HZ1 . LYS A 1 7 ? 4.327 5.379 18.160 1.00 0.00 ? 7 LYS A HZ1 2 ATOM 686 H HZ2 . LYS A 1 7 ? 3.605 6.487 17.148 1.00 0.00 ? 7 LYS A HZ2 2 ATOM 687 H HZ3 . LYS A 1 7 ? 2.801 6.012 18.600 1.00 0.00 ? 7 LYS A HZ3 2 ATOM 688 N N . GLN A 1 8 ? 0.667 5.965 12.127 1.00 0.00 ? 8 GLN A N 2 ATOM 689 C CA . GLN A 1 8 ? -0.383 6.758 11.491 1.00 0.00 ? 8 GLN A CA 2 ATOM 690 C C . GLN A 1 8 ? -1.443 7.180 12.507 1.00 0.00 ? 8 GLN A C 2 ATOM 691 O O . GLN A 1 8 ? -2.628 7.247 12.199 1.00 0.00 ? 8 GLN A O 2 ATOM 692 C CB . GLN A 1 8 ? -1.140 5.947 10.399 1.00 0.00 ? 8 GLN A CB 2 ATOM 693 C CG . GLN A 1 8 ? -0.325 5.435 9.190 1.00 0.00 ? 8 GLN A CG 2 ATOM 694 C CD . GLN A 1 8 ? 0.087 6.591 8.274 1.00 0.00 ? 8 GLN A CD 2 ATOM 695 O OE1 . GLN A 1 8 ? -0.307 7.738 8.470 1.00 0.00 ? 8 GLN A OE1 2 ATOM 696 N NE2 . GLN A 1 8 ? 0.869 6.304 7.206 1.00 0.00 ? 8 GLN A NE2 2 ATOM 697 H H . GLN A 1 8 ? 0.336 5.123 12.546 1.00 0.00 ? 8 GLN A H 2 ATOM 698 H HA . GLN A 1 8 ? 0.021 7.660 11.040 1.00 0.00 ? 8 GLN A HA 2 ATOM 699 H HB2 . GLN A 1 8 ? -1.607 5.050 10.870 1.00 0.00 ? 8 GLN A HB2 2 ATOM 700 H HB3 . GLN A 1 8 ? -1.958 6.592 10.012 1.00 0.00 ? 8 GLN A HB3 2 ATOM 701 H HG2 . GLN A 1 8 ? 0.554 4.845 9.516 1.00 0.00 ? 8 GLN A HG2 2 ATOM 702 H HG3 . GLN A 1 8 ? -0.993 4.770 8.599 1.00 0.00 ? 8 GLN A HG3 2 ATOM 703 H HE21 . GLN A 1 8 ? 1.263 5.391 7.086 1.00 0.00 ? 8 GLN A HE21 2 ATOM 704 H HE22 . GLN A 1 8 ? 1.064 7.026 6.539 1.00 0.00 ? 8 GLN A HE22 2 ATOM 705 N N . ALA A 1 9 ? -1.031 7.441 13.759 1.00 0.00 ? 9 ALA A N 2 ATOM 706 C CA . ALA A 1 9 ? -1.899 7.829 14.872 1.00 0.00 ? 9 ALA A CA 2 ATOM 707 C C . ALA A 1 9 ? -1.870 9.329 15.162 1.00 0.00 ? 9 ALA A C 2 ATOM 708 O O . ALA A 1 9 ? -2.593 9.813 16.031 1.00 0.00 ? 9 ALA A O 2 ATOM 709 C CB . ALA A 1 9 ? -1.622 7.001 16.157 1.00 0.00 ? 9 ALA A CB 2 ATOM 710 H H . ALA A 1 9 ? -0.061 7.318 13.916 1.00 0.00 ? 9 ALA A H 2 ATOM 711 H HA . ALA A 1 9 ? -2.927 7.606 14.610 1.00 0.00 ? 9 ALA A HA 2 ATOM 712 H HB1 . ALA A 1 9 ? -1.674 5.917 15.915 1.00 0.00 ? 9 ALA A HB1 2 ATOM 713 H HB2 . ALA A 1 9 ? -0.618 7.205 16.583 1.00 0.00 ? 9 ALA A HB2 2 ATOM 714 H HB3 . ALA A 1 9 ? -2.393 7.198 16.938 1.00 0.00 ? 9 ALA A HB3 2 ATOM 715 N N . SER A 1 10 ? -0.959 10.066 14.457 1.00 0.00 ? 10 SER A N 2 ATOM 716 C CA . SER A 1 10 ? -0.691 11.514 14.450 1.00 0.00 ? 10 SER A CA 2 ATOM 717 C C . SER A 1 10 ? -0.166 12.103 15.746 1.00 0.00 ? 10 SER A C 2 ATOM 718 O O . SER A 1 10 ? -0.387 13.267 16.069 1.00 0.00 ? 10 SER A O 2 ATOM 719 C CB . SER A 1 10 ? -1.798 12.396 13.824 1.00 0.00 ? 10 SER A CB 2 ATOM 720 O OG . SER A 1 10 ? -2.234 11.801 12.605 1.00 0.00 ? 10 SER A OG 2 ATOM 721 H H . SER A 1 10 ? -0.446 9.587 13.752 1.00 0.00 ? 10 SER A H 2 ATOM 722 H HA . SER A 1 10 ? 0.144 11.609 13.773 1.00 0.00 ? 10 SER A HA 2 ATOM 723 H HB2 . SER A 1 10 ? -2.664 12.515 14.509 1.00 0.00 ? 10 SER A HB2 2 ATOM 724 H HB3 . SER A 1 10 ? -1.389 13.401 13.578 1.00 0.00 ? 10 SER A HB3 2 ATOM 725 H HG . SER A 1 10 ? -3.193 11.873 12.593 1.00 0.00 ? 10 SER A HG 2 ATOM 726 N N . GLN A 1 11 ? 0.590 11.261 16.483 1.00 0.00 ? 11 GLN A N 2 ATOM 727 C CA . GLN A 1 11 ? 1.375 11.569 17.668 1.00 0.00 ? 11 GLN A CA 2 ATOM 728 C C . GLN A 1 11 ? 2.827 11.706 17.297 1.00 0.00 ? 11 GLN A C 2 ATOM 729 O O . GLN A 1 11 ? 3.632 12.316 17.990 1.00 0.00 ? 11 GLN A O 2 ATOM 730 C CB . GLN A 1 11 ? 1.213 10.411 18.677 1.00 0.00 ? 11 GLN A CB 2 ATOM 731 C CG . GLN A 1 11 ? 1.479 8.992 18.091 1.00 0.00 ? 11 GLN A CG 2 ATOM 732 C CD . GLN A 1 11 ? 0.935 7.903 18.998 1.00 0.00 ? 11 GLN A CD 2 ATOM 733 O OE1 . GLN A 1 11 ? 1.599 6.908 19.285 1.00 0.00 ? 11 GLN A OE1 2 ATOM 734 N NE2 . GLN A 1 11 ? -0.331 8.063 19.433 1.00 0.00 ? 11 GLN A NE2 2 ATOM 735 H H . GLN A 1 11 ? 0.587 10.308 16.207 1.00 0.00 ? 11 GLN A H 2 ATOM 736 H HA . GLN A 1 11 ? 1.055 12.506 18.111 1.00 0.00 ? 11 GLN A HA 2 ATOM 737 H HB2 . GLN A 1 11 ? 1.829 10.567 19.589 1.00 0.00 ? 11 GLN A HB2 2 ATOM 738 H HB3 . GLN A 1 11 ? 0.157 10.507 18.997 1.00 0.00 ? 11 GLN A HB3 2 ATOM 739 H HG2 . GLN A 1 11 ? 1.020 8.829 17.095 1.00 0.00 ? 11 GLN A HG2 2 ATOM 740 H HG3 . GLN A 1 11 ? 2.571 8.825 17.980 1.00 0.00 ? 11 GLN A HG3 2 ATOM 741 H HE21 . GLN A 1 11 ? -0.877 8.829 19.087 1.00 0.00 ? 11 GLN A HE21 2 ATOM 742 H HE22 . GLN A 1 11 ? -0.686 7.437 20.123 1.00 0.00 ? 11 GLN A HE22 2 ATOM 743 N N . ASP A 1 12 ? 3.153 11.031 16.170 1.00 0.00 ? 12 ASP A N 2 ATOM 744 C CA . ASP A 1 12 ? 4.463 10.866 15.574 1.00 0.00 ? 12 ASP A CA 2 ATOM 745 C C . ASP A 1 12 ? 4.599 11.811 14.424 1.00 0.00 ? 12 ASP A C 2 ATOM 746 O O . ASP A 1 12 ? 5.581 12.530 14.270 1.00 0.00 ? 12 ASP A O 2 ATOM 747 C CB . ASP A 1 12 ? 4.653 9.394 15.086 1.00 0.00 ? 12 ASP A CB 2 ATOM 748 C CG . ASP A 1 12 ? 5.062 8.563 16.251 1.00 0.00 ? 12 ASP A CG 2 ATOM 749 O OD1 . ASP A 1 12 ? 6.123 8.855 16.842 1.00 0.00 ? 12 ASP A OD1 2 ATOM 750 O OD2 . ASP A 1 12 ? 4.331 7.611 16.583 1.00 0.00 ? 12 ASP A OD2 2 ATOM 751 H H . ASP A 1 12 ? 2.421 10.565 15.706 1.00 0.00 ? 12 ASP A H 2 ATOM 752 H HA . ASP A 1 12 ? 5.227 11.144 16.292 1.00 0.00 ? 12 ASP A HA 2 ATOM 753 H HB2 . ASP A 1 12 ? 3.694 8.974 14.720 1.00 0.00 ? 12 ASP A HB2 2 ATOM 754 H HB3 . ASP A 1 12 ? 5.421 9.236 14.296 1.00 0.00 ? 12 ASP A HB3 2 ATOM 755 N N . ALA A 1 13 ? 3.548 11.827 13.578 1.00 0.00 ? 13 ALA A N 2 ATOM 756 C CA . ALA A 1 13 ? 3.524 12.314 12.213 1.00 0.00 ? 13 ALA A CA 2 ATOM 757 C C . ALA A 1 13 ? 3.146 13.775 12.156 1.00 0.00 ? 13 ALA A C 2 ATOM 758 O O . ALA A 1 13 ? 3.378 14.459 11.166 1.00 0.00 ? 13 ALA A O 2 ATOM 759 C CB . ALA A 1 13 ? 2.492 11.500 11.396 1.00 0.00 ? 13 ALA A CB 2 ATOM 760 H H . ALA A 1 13 ? 2.737 11.312 13.825 1.00 0.00 ? 13 ALA A H 2 ATOM 761 H HA . ALA A 1 13 ? 4.507 12.197 11.766 1.00 0.00 ? 13 ALA A HA 2 ATOM 762 H HB1 . ALA A 1 13 ? 1.470 11.568 11.825 1.00 0.00 ? 13 ALA A HB1 2 ATOM 763 H HB2 . ALA A 1 13 ? 2.439 11.835 10.338 1.00 0.00 ? 13 ALA A HB2 2 ATOM 764 H HB3 . ALA A 1 13 ? 2.778 10.427 11.387 1.00 0.00 ? 13 ALA A HB3 2 ATOM 765 N N . GLU A 1 14 ? 2.558 14.257 13.275 1.00 0.00 ? 14 GLU A N 2 ATOM 766 C CA . GLU A 1 14 ? 2.198 15.615 13.606 1.00 0.00 ? 14 GLU A CA 2 ATOM 767 C C . GLU A 1 14 ? 3.366 16.258 14.331 1.00 0.00 ? 14 GLU A C 2 ATOM 768 O O . GLU A 1 14 ? 3.634 17.446 14.179 1.00 0.00 ? 14 GLU A O 2 ATOM 769 C CB . GLU A 1 14 ? 0.901 15.573 14.456 1.00 0.00 ? 14 GLU A CB 2 ATOM 770 C CG . GLU A 1 14 ? -0.046 16.775 14.372 1.00 0.00 ? 14 GLU A CG 2 ATOM 771 C CD . GLU A 1 14 ? 0.439 17.906 15.269 1.00 0.00 ? 14 GLU A CD 2 ATOM 772 O OE1 . GLU A 1 14 ? 1.209 17.688 16.235 1.00 0.00 ? 14 GLU A OE1 2 ATOM 773 O OE2 . GLU A 1 14 ? 0.037 19.065 15.004 1.00 0.00 ? 14 GLU A OE2 2 ATOM 774 H H . GLU A 1 14 ? 2.383 13.627 14.023 1.00 0.00 ? 14 GLU A H 2 ATOM 775 H HA . GLU A 1 14 ? 2.012 16.163 12.687 1.00 0.00 ? 14 GLU A HA 2 ATOM 776 H HB2 . GLU A 1 14 ? 0.295 14.753 14.026 1.00 0.00 ? 14 GLU A HB2 2 ATOM 777 H HB3 . GLU A 1 14 ? 1.085 15.297 15.518 1.00 0.00 ? 14 GLU A HB3 2 ATOM 778 H HG2 . GLU A 1 14 ? -0.130 17.108 13.318 1.00 0.00 ? 14 GLU A HG2 2 ATOM 779 H HG3 . GLU A 1 14 ? -1.052 16.463 14.724 1.00 0.00 ? 14 GLU A HG3 2 ATOM 780 N N . GLN A 1 15 ? 4.140 15.427 15.090 1.00 0.00 ? 15 GLN A N 2 ATOM 781 C CA . GLN A 1 15 ? 5.247 15.803 15.973 1.00 0.00 ? 15 GLN A CA 2 ATOM 782 C C . GLN A 1 15 ? 6.548 15.863 15.200 1.00 0.00 ? 15 GLN A C 2 ATOM 783 O O . GLN A 1 15 ? 7.401 16.696 15.474 1.00 0.00 ? 15 GLN A O 2 ATOM 784 C CB . GLN A 1 15 ? 5.331 14.852 17.214 1.00 0.00 ? 15 GLN A CB 2 ATOM 785 C CG . GLN A 1 15 ? 6.590 14.837 18.126 1.00 0.00 ? 15 GLN A CG 2 ATOM 786 C CD . GLN A 1 15 ? 7.142 16.216 18.532 1.00 0.00 ? 15 GLN A CD 2 ATOM 787 O OE1 . GLN A 1 15 ? 6.515 17.107 19.114 1.00 0.00 ? 15 GLN A OE1 2 ATOM 788 N NE2 . GLN A 1 15 ? 8.440 16.418 18.210 1.00 0.00 ? 15 GLN A NE2 2 ATOM 789 H H . GLN A 1 15 ? 3.948 14.452 15.074 1.00 0.00 ? 15 GLN A H 2 ATOM 790 H HA . GLN A 1 15 ? 5.068 16.801 16.352 1.00 0.00 ? 15 GLN A HA 2 ATOM 791 H HB2 . GLN A 1 15 ? 4.443 15.032 17.860 1.00 0.00 ? 15 GLN A HB2 2 ATOM 792 H HB3 . GLN A 1 15 ? 5.233 13.803 16.864 1.00 0.00 ? 15 GLN A HB3 2 ATOM 793 H HG2 . GLN A 1 15 ? 6.359 14.280 19.059 1.00 0.00 ? 15 GLN A HG2 2 ATOM 794 H HG3 . GLN A 1 15 ? 7.364 14.248 17.587 1.00 0.00 ? 15 GLN A HG3 2 ATOM 795 H HE21 . GLN A 1 15 ? 8.919 15.829 17.552 1.00 0.00 ? 15 GLN A HE21 2 ATOM 796 H HE22 . GLN A 1 15 ? 8.896 17.242 18.540 1.00 0.00 ? 15 GLN A HE22 2 ATOM 797 N N . ALA A 1 16 ? 6.722 15.047 14.124 1.00 0.00 ? 16 ALA A N 2 ATOM 798 C CA . ALA A 1 16 ? 7.876 15.042 13.210 1.00 0.00 ? 16 ALA A CA 2 ATOM 799 C C . ALA A 1 16 ? 7.993 16.307 12.353 1.00 0.00 ? 16 ALA A C 2 ATOM 800 O O . ALA A 1 16 ? 9.036 16.603 11.782 1.00 0.00 ? 16 ALA A O 2 ATOM 801 C CB . ALA A 1 16 ? 7.834 13.809 12.254 1.00 0.00 ? 16 ALA A CB 2 ATOM 802 H H . ALA A 1 16 ? 6.094 14.270 13.982 1.00 0.00 ? 16 ALA A H 2 ATOM 803 H HA . ALA A 1 16 ? 8.773 14.961 13.812 1.00 0.00 ? 16 ALA A HA 2 ATOM 804 H HB1 . ALA A 1 16 ? 7.683 12.868 12.826 1.00 0.00 ? 16 ALA A HB1 2 ATOM 805 H HB2 . ALA A 1 16 ? 7.005 13.885 11.517 1.00 0.00 ? 16 ALA A HB2 2 ATOM 806 H HB3 . ALA A 1 16 ? 8.785 13.696 11.684 1.00 0.00 ? 16 ALA A HB3 2 ATOM 807 N N . ALA A 1 17 ? 6.878 17.081 12.317 1.00 0.00 ? 17 ALA A N 2 ATOM 808 C CA . ALA A 1 17 ? 6.722 18.405 11.744 1.00 0.00 ? 17 ALA A CA 2 ATOM 809 C C . ALA A 1 17 ? 6.995 19.538 12.721 1.00 0.00 ? 17 ALA A C 2 ATOM 810 O O . ALA A 1 17 ? 7.153 20.675 12.280 1.00 0.00 ? 17 ALA A O 2 ATOM 811 C CB . ALA A 1 17 ? 5.283 18.630 11.189 1.00 0.00 ? 17 ALA A CB 2 ATOM 812 H H . ALA A 1 17 ? 6.073 16.738 12.796 1.00 0.00 ? 17 ALA A H 2 ATOM 813 H HA . ALA A 1 17 ? 7.425 18.511 10.925 1.00 0.00 ? 17 ALA A HA 2 ATOM 814 H HB1 . ALA A 1 17 ? 5.040 17.860 10.426 1.00 0.00 ? 17 ALA A HB1 2 ATOM 815 H HB2 . ALA A 1 17 ? 4.504 18.575 11.987 1.00 0.00 ? 17 ALA A HB2 2 ATOM 816 H HB3 . ALA A 1 17 ? 5.183 19.625 10.695 1.00 0.00 ? 17 ALA A HB3 2 ATOM 817 N N . LYS A 1 18 ? 7.030 19.262 14.061 1.00 0.00 ? 18 LYS A N 2 ATOM 818 C CA . LYS A 1 18 ? 7.234 20.251 15.133 1.00 0.00 ? 18 LYS A CA 2 ATOM 819 C C . LYS A 1 18 ? 8.692 20.416 15.470 1.00 0.00 ? 18 LYS A C 2 ATOM 820 O O . LYS A 1 18 ? 9.082 21.357 16.151 1.00 0.00 ? 18 LYS A O 2 ATOM 821 C CB . LYS A 1 18 ? 6.539 19.888 16.488 1.00 0.00 ? 18 LYS A CB 2 ATOM 822 C CG . LYS A 1 18 ? 5.033 19.635 16.452 1.00 0.00 ? 18 LYS A CG 2 ATOM 823 C CD . LYS A 1 18 ? 4.127 20.862 16.466 1.00 0.00 ? 18 LYS A CD 2 ATOM 824 C CE . LYS A 1 18 ? 2.704 20.496 16.948 1.00 0.00 ? 18 LYS A CE 2 ATOM 825 N NZ . LYS A 1 18 ? 1.682 20.779 15.910 1.00 0.00 ? 18 LYS A NZ 2 ATOM 826 H H . LYS A 1 18 ? 6.911 18.315 14.376 1.00 0.00 ? 18 LYS A H 2 ATOM 827 H HA . LYS A 1 18 ? 6.889 21.229 14.827 1.00 0.00 ? 18 LYS A HA 2 ATOM 828 H HB2 . LYS A 1 18 ? 6.957 18.929 16.874 1.00 0.00 ? 18 LYS A HB2 2 ATOM 829 H HB3 . LYS A 1 18 ? 6.714 20.673 17.262 1.00 0.00 ? 18 LYS A HB3 2 ATOM 830 H HG2 . LYS A 1 18 ? 4.769 18.980 15.600 1.00 0.00 ? 18 LYS A HG2 2 ATOM 831 H HG3 . LYS A 1 18 ? 4.812 19.081 17.390 1.00 0.00 ? 18 LYS A HG3 2 ATOM 832 H HD2 . LYS A 1 18 ? 4.551 21.588 17.195 1.00 0.00 ? 18 LYS A HD2 2 ATOM 833 H HD3 . LYS A 1 18 ? 4.152 21.341 15.463 1.00 0.00 ? 18 LYS A HD3 2 ATOM 834 H HE2 . LYS A 1 18 ? 2.644 19.413 17.183 1.00 0.00 ? 18 LYS A HE2 2 ATOM 835 H HE3 . LYS A 1 18 ? 2.435 21.066 17.866 1.00 0.00 ? 18 LYS A HE3 2 ATOM 836 H HZ1 . LYS A 1 18 ? 2.160 20.952 15.009 1.00 0.00 ? 18 LYS A HZ1 2 ATOM 837 H HZ2 . LYS A 1 18 ? 1.022 19.939 15.721 1.00 0.00 ? 18 LYS A HZ2 2 ATOM 838 H HZ3 . LYS A 1 18 ? 1.095 21.599 16.159 1.00 0.00 ? 18 LYS A HZ3 2 ATOM 839 N N . ASP A 1 19 ? 9.536 19.464 15.012 1.00 0.00 ? 19 ASP A N 2 ATOM 840 C CA . ASP A 1 19 ? 10.912 19.156 15.419 1.00 0.00 ? 19 ASP A CA 2 ATOM 841 C C . ASP A 1 19 ? 11.982 20.211 15.192 1.00 0.00 ? 19 ASP A C 2 ATOM 842 O O . ASP A 1 19 ? 13.135 20.045 15.571 1.00 0.00 ? 19 ASP A O 2 ATOM 843 C CB . ASP A 1 19 ? 11.363 17.791 14.806 1.00 0.00 ? 19 ASP A CB 2 ATOM 844 C CG . ASP A 1 19 ? 11.876 16.813 15.868 1.00 0.00 ? 19 ASP A CG 2 ATOM 845 O OD1 . ASP A 1 19 ? 11.526 16.912 17.078 1.00 0.00 ? 19 ASP A OD1 2 ATOM 846 O OD2 . ASP A 1 19 ? 12.608 15.897 15.430 1.00 0.00 ? 19 ASP A OD2 2 ATOM 847 H H . ASP A 1 19 ? 9.118 18.764 14.448 1.00 0.00 ? 19 ASP A H 2 ATOM 848 H HA . ASP A 1 19 ? 10.883 19.062 16.492 1.00 0.00 ? 19 ASP A HA 2 ATOM 849 H HB2 . ASP A 1 19 ? 10.486 17.275 14.369 1.00 0.00 ? 19 ASP A HB2 2 ATOM 850 H HB3 . ASP A 1 19 ? 12.117 17.876 13.989 1.00 0.00 ? 19 ASP A HB3 2 ATOM 851 N N . ALA A 1 20 ? 11.567 21.374 14.630 1.00 0.00 ? 20 ALA A N 2 ATOM 852 C CA . ALA A 1 20 ? 12.299 22.631 14.530 1.00 0.00 ? 20 ALA A CA 2 ATOM 853 C C . ALA A 1 20 ? 12.030 23.549 15.710 1.00 0.00 ? 20 ALA A C 2 ATOM 854 O O . ALA A 1 20 ? 12.940 24.205 16.229 1.00 0.00 ? 20 ALA A O 2 ATOM 855 C CB . ALA A 1 20 ? 11.934 23.371 13.217 1.00 0.00 ? 20 ALA A CB 2 ATOM 856 H H . ALA A 1 20 ? 10.609 21.416 14.355 1.00 0.00 ? 20 ALA A H 2 ATOM 857 H HA . ALA A 1 20 ? 13.366 22.414 14.506 1.00 0.00 ? 20 ALA A HA 2 ATOM 858 H HB1 . ALA A 1 20 ? 12.137 22.690 12.363 1.00 0.00 ? 20 ALA A HB1 2 ATOM 859 H HB2 . ALA A 1 20 ? 10.857 23.644 13.174 1.00 0.00 ? 20 ALA A HB2 2 ATOM 860 H HB3 . ALA A 1 20 ? 12.540 24.291 13.073 1.00 0.00 ? 20 ALA A HB3 2 ATOM 861 N N . GLU A 1 21 ? 10.729 23.575 16.166 1.00 0.00 ? 21 GLU A N 2 ATOM 862 C CA . GLU A 1 21 ? 10.123 24.397 17.224 1.00 0.00 ? 21 GLU A CA 2 ATOM 863 C C . GLU A 1 21 ? 10.358 23.713 18.562 1.00 0.00 ? 21 GLU A C 2 ATOM 864 O O . GLU A 1 21 ? 10.274 24.310 19.632 1.00 0.00 ? 21 GLU A O 2 ATOM 865 C CB . GLU A 1 21 ? 8.542 24.553 17.112 1.00 0.00 ? 21 GLU A CB 2 ATOM 866 C CG . GLU A 1 21 ? 7.951 25.385 15.950 1.00 0.00 ? 21 GLU A CG 2 ATOM 867 C CD . GLU A 1 21 ? 6.454 25.653 16.229 1.00 0.00 ? 21 GLU A CD 2 ATOM 868 O OE1 . GLU A 1 21 ? 6.162 26.395 17.209 1.00 0.00 ? 21 GLU A OE1 2 ATOM 869 O OE2 . GLU A 1 21 ? 5.594 25.112 15.477 1.00 0.00 ? 21 GLU A OE2 2 ATOM 870 H H . GLU A 1 21 ? 10.075 22.912 15.788 1.00 0.00 ? 21 GLU A H 2 ATOM 871 H HA . GLU A 1 21 ? 10.586 25.376 17.234 1.00 0.00 ? 21 GLU A HA 2 ATOM 872 H HB2 . GLU A 1 21 ? 8.051 23.556 17.055 1.00 0.00 ? 21 GLU A HB2 2 ATOM 873 H HB3 . GLU A 1 21 ? 8.159 25.064 18.027 1.00 0.00 ? 21 GLU A HB3 2 ATOM 874 H HG2 . GLU A 1 21 ? 8.453 26.373 15.889 1.00 0.00 ? 21 GLU A HG2 2 ATOM 875 H HG3 . GLU A 1 21 ? 8.068 24.868 14.975 1.00 0.00 ? 21 GLU A HG3 2 ATOM 876 N N . ASN A 1 22 ? 10.688 22.405 18.479 1.00 0.00 ? 22 ASN A N 2 ATOM 877 C CA . ASN A 1 22 ? 10.807 21.420 19.541 1.00 0.00 ? 22 ASN A CA 2 ATOM 878 C C . ASN A 1 22 ? 12.041 21.550 20.398 1.00 0.00 ? 22 ASN A C 2 ATOM 879 O O . ASN A 1 22 ? 12.070 21.039 21.511 1.00 0.00 ? 22 ASN A O 2 ATOM 880 C CB . ASN A 1 22 ? 10.720 19.966 18.995 1.00 0.00 ? 22 ASN A CB 2 ATOM 881 C CG . ASN A 1 22 ? 9.826 19.075 19.864 1.00 0.00 ? 22 ASN A CG 2 ATOM 882 O OD1 . ASN A 1 22 ? 10.216 18.202 20.626 1.00 0.00 ? 22 ASN A OD1 2 ATOM 883 N ND2 . ASN A 1 22 ? 8.504 19.301 19.717 1.00 0.00 ? 22 ASN A ND2 2 ATOM 884 H H . ASN A 1 22 ? 10.705 22.044 17.549 1.00 0.00 ? 22 ASN A H 2 ATOM 885 H HA . ASN A 1 22 ? 9.968 21.587 20.198 1.00 0.00 ? 22 ASN A HA 2 ATOM 886 H HB2 . ASN A 1 22 ? 10.213 20.041 18.017 1.00 0.00 ? 22 ASN A HB2 2 ATOM 887 H HB3 . ASN A 1 22 ? 11.700 19.458 18.818 1.00 0.00 ? 22 ASN A HB3 2 ATOM 888 H HD21 . ASN A 1 22 ? 8.192 19.964 19.035 1.00 0.00 ? 22 ASN A HD21 2 ATOM 889 H HD22 . ASN A 1 22 ? 7.849 18.677 20.147 1.00 0.00 ? 22 ASN A HD22 2 ATOM 890 N N . ALA A 1 23 ? 13.063 22.305 19.931 1.00 0.00 ? 23 ALA A N 2 ATOM 891 C CA . ALA A 1 23 ? 14.239 22.688 20.712 1.00 0.00 ? 23 ALA A CA 2 ATOM 892 C C . ALA A 1 23 ? 13.955 23.666 21.858 1.00 0.00 ? 23 ALA A C 2 ATOM 893 O O . ALA A 1 23 ? 14.342 23.428 23.000 1.00 0.00 ? 23 ALA A O 2 ATOM 894 C CB . ALA A 1 23 ? 15.363 23.284 19.824 1.00 0.00 ? 23 ALA A CB 2 ATOM 895 H H . ALA A 1 23 ? 13.031 22.537 18.959 1.00 0.00 ? 23 ALA A H 2 ATOM 896 H HA . ALA A 1 23 ? 14.638 21.788 21.167 1.00 0.00 ? 23 ALA A HA 2 ATOM 897 H HB1 . ALA A 1 23 ? 15.600 22.555 19.023 1.00 0.00 ? 23 ALA A HB1 2 ATOM 898 H HB2 . ALA A 1 23 ? 15.070 24.235 19.328 1.00 0.00 ? 23 ALA A HB2 2 ATOM 899 H HB3 . ALA A 1 23 ? 16.297 23.462 20.405 1.00 0.00 ? 23 ALA A HB3 2 ATOM 900 N N . SER A 1 24 ? 13.250 24.803 21.583 1.00 0.00 ? 24 SER A N 2 ATOM 901 C CA . SER A 1 24 ? 12.878 25.819 22.572 1.00 0.00 ? 24 SER A CA 2 ATOM 902 C C . SER A 1 24 ? 11.509 25.577 23.196 1.00 0.00 ? 24 SER A C 2 ATOM 903 O O . SER A 1 24 ? 11.024 26.415 23.956 1.00 0.00 ? 24 SER A O 2 ATOM 904 C CB . SER A 1 24 ? 12.973 27.271 21.983 1.00 0.00 ? 24 SER A CB 2 ATOM 905 O OG . SER A 1 24 ? 12.922 28.292 22.983 1.00 0.00 ? 24 SER A OG 2 ATOM 906 H H . SER A 1 24 ? 12.840 24.908 20.673 1.00 0.00 ? 24 SER A H 2 ATOM 907 H HA . SER A 1 24 ? 13.564 25.719 23.416 1.00 0.00 ? 24 SER A HA 2 ATOM 908 H HB2 . SER A 1 24 ? 13.947 27.384 21.461 1.00 0.00 ? 24 SER A HB2 2 ATOM 909 H HB3 . SER A 1 24 ? 12.174 27.457 21.228 1.00 0.00 ? 24 SER A HB3 2 ATOM 910 H HG . SER A 1 24 ? 12.146 28.070 23.525 1.00 0.00 ? 24 SER A HG 2 ATOM 911 N N . LYS A 1 25 ? 10.896 24.399 22.911 1.00 0.00 ? 25 LYS A N 2 ATOM 912 C CA . LYS A 1 25 ? 9.562 23.960 23.348 1.00 0.00 ? 25 LYS A CA 2 ATOM 913 C C . LYS A 1 25 ? 9.615 23.400 24.741 1.00 0.00 ? 25 LYS A C 2 ATOM 914 O O . LYS A 1 25 ? 8.628 23.366 25.470 1.00 0.00 ? 25 LYS A O 2 ATOM 915 C CB . LYS A 1 25 ? 9.014 22.887 22.353 1.00 0.00 ? 25 LYS A CB 2 ATOM 916 C CG . LYS A 1 25 ? 7.888 21.884 22.741 1.00 0.00 ? 25 LYS A CG 2 ATOM 917 C CD . LYS A 1 25 ? 8.420 20.513 23.248 1.00 0.00 ? 25 LYS A CD 2 ATOM 918 C CE . LYS A 1 25 ? 7.418 19.670 24.057 1.00 0.00 ? 25 LYS A CE 2 ATOM 919 N NZ . LYS A 1 25 ? 7.161 20.321 25.372 1.00 0.00 ? 25 LYS A NZ 2 ATOM 920 H H . LYS A 1 25 ? 11.349 23.786 22.266 1.00 0.00 ? 25 LYS A H 2 ATOM 921 H HA . LYS A 1 25 ? 8.888 24.811 23.370 1.00 0.00 ? 25 LYS A HA 2 ATOM 922 H HB2 . LYS A 1 25 ? 8.681 23.436 21.443 1.00 0.00 ? 25 LYS A HB2 2 ATOM 923 H HB3 . LYS A 1 25 ? 9.867 22.243 22.072 1.00 0.00 ? 25 LYS A HB3 2 ATOM 924 H HG2 . LYS A 1 25 ? 7.187 22.374 23.451 1.00 0.00 ? 25 LYS A HG2 2 ATOM 925 H HG3 . LYS A 1 25 ? 7.309 21.662 21.815 1.00 0.00 ? 25 LYS A HG3 2 ATOM 926 H HD2 . LYS A 1 25 ? 8.753 19.926 22.370 1.00 0.00 ? 25 LYS A HD2 2 ATOM 927 H HD3 . LYS A 1 25 ? 9.322 20.649 23.881 1.00 0.00 ? 25 LYS A HD3 2 ATOM 928 H HE2 . LYS A 1 25 ? 6.449 19.552 23.524 1.00 0.00 ? 25 LYS A HE2 2 ATOM 929 H HE3 . LYS A 1 25 ? 7.850 18.666 24.265 1.00 0.00 ? 25 LYS A HE3 2 ATOM 930 H HZ1 . LYS A 1 25 ? 7.983 20.931 25.586 1.00 0.00 ? 25 LYS A HZ1 2 ATOM 931 H HZ2 . LYS A 1 25 ? 6.321 20.933 25.317 1.00 0.00 ? 25 LYS A HZ2 2 ATOM 932 H HZ3 . LYS A 1 25 ? 7.047 19.630 26.147 1.00 0.00 ? 25 LYS A HZ3 2 ATOM 933 N N . GLU A 1 26 ? 10.816 22.926 25.152 1.00 0.00 ? 26 GLU A N 2 ATOM 934 C CA . GLU A 1 26 ? 11.054 22.319 26.450 1.00 0.00 ? 26 GLU A CA 2 ATOM 935 C C . GLU A 1 26 ? 11.465 23.343 27.495 1.00 0.00 ? 26 GLU A C 2 ATOM 936 O O . GLU A 1 26 ? 11.110 23.271 28.671 1.00 0.00 ? 26 GLU A O 2 ATOM 937 C CB . GLU A 1 26 ? 12.158 21.239 26.296 1.00 0.00 ? 26 GLU A CB 2 ATOM 938 C CG . GLU A 1 26 ? 12.308 20.292 27.487 1.00 0.00 ? 26 GLU A CG 2 ATOM 939 C CD . GLU A 1 26 ? 10.971 19.577 27.761 1.00 0.00 ? 26 GLU A CD 2 ATOM 940 O OE1 . GLU A 1 26 ? 10.201 19.364 26.777 1.00 0.00 ? 26 GLU A OE1 2 ATOM 941 O OE2 . GLU A 1 26 ? 10.702 19.248 28.945 1.00 0.00 ? 26 GLU A OE2 2 ATOM 942 H H . GLU A 1 26 ? 11.562 22.874 24.490 1.00 0.00 ? 26 GLU A H 2 ATOM 943 H HA . GLU A 1 26 ? 10.138 21.858 26.803 1.00 0.00 ? 26 GLU A HA 2 ATOM 944 H HB2 . GLU A 1 26 ? 11.896 20.593 25.428 1.00 0.00 ? 26 GLU A HB2 2 ATOM 945 H HB3 . GLU A 1 26 ? 13.144 21.700 26.067 1.00 0.00 ? 26 GLU A HB3 2 ATOM 946 H HG2 . GLU A 1 26 ? 13.100 19.569 27.213 1.00 0.00 ? 26 GLU A HG2 2 ATOM 947 H HG3 . GLU A 1 26 ? 12.631 20.866 28.378 1.00 0.00 ? 26 GLU A HG3 2 ATOM 948 N N . ALA A 1 27 ? 12.204 24.377 27.020 1.00 0.00 ? 27 ALA A N 2 ATOM 949 C CA . ALA A 1 27 ? 12.789 25.443 27.810 1.00 0.00 ? 27 ALA A CA 2 ATOM 950 C C . ALA A 1 27 ? 11.768 26.466 28.259 1.00 0.00 ? 27 ALA A C 2 ATOM 951 O O . ALA A 1 27 ? 11.921 27.028 29.336 1.00 0.00 ? 27 ALA A O 2 ATOM 952 C CB . ALA A 1 27 ? 13.934 26.171 27.052 1.00 0.00 ? 27 ALA A CB 2 ATOM 953 H H . ALA A 1 27 ? 12.463 24.379 26.060 1.00 0.00 ? 27 ALA A H 2 ATOM 954 H HA . ALA A 1 27 ? 13.227 25.006 28.700 1.00 0.00 ? 27 ALA A HA 2 ATOM 955 H HB1 . ALA A 1 27 ? 14.677 25.424 26.699 1.00 0.00 ? 27 ALA A HB1 2 ATOM 956 H HB2 . ALA A 1 27 ? 13.580 26.734 26.156 1.00 0.00 ? 27 ALA A HB2 2 ATOM 957 H HB3 . ALA A 1 27 ? 14.469 26.887 27.720 1.00 0.00 ? 27 ALA A HB3 2 ATOM 958 N N . GLU A 1 28 ? 10.697 26.695 27.451 1.00 0.00 ? 28 GLU A N 2 ATOM 959 C CA . GLU A 1 28 ? 9.634 27.685 27.624 1.00 0.00 ? 28 GLU A CA 2 ATOM 960 C C . GLU A 1 28 ? 8.822 27.600 28.916 1.00 0.00 ? 28 GLU A C 2 ATOM 961 O O . GLU A 1 28 ? 8.904 28.528 29.712 1.00 0.00 ? 28 GLU A O 2 ATOM 962 C CB . GLU A 1 28 ? 8.669 27.703 26.419 1.00 0.00 ? 28 GLU A CB 2 ATOM 963 C CG . GLU A 1 28 ? 7.659 28.870 26.419 1.00 0.00 ? 28 GLU A CG 2 ATOM 964 C CD . GLU A 1 28 ? 6.654 28.675 25.307 1.00 0.00 ? 28 GLU A CD 2 ATOM 965 O OE1 . GLU A 1 28 ? 6.948 27.943 24.322 1.00 0.00 ? 28 GLU A OE1 2 ATOM 966 O OE2 . GLU A 1 28 ? 5.553 29.256 25.462 1.00 0.00 ? 28 GLU A OE2 2 ATOM 967 H H . GLU A 1 28 ? 10.641 26.180 26.601 1.00 0.00 ? 28 GLU A H 2 ATOM 968 H HA . GLU A 1 28 ? 10.122 28.649 27.631 1.00 0.00 ? 28 GLU A HA 2 ATOM 969 H HB2 . GLU A 1 28 ? 9.266 27.812 25.487 1.00 0.00 ? 28 GLU A HB2 2 ATOM 970 H HB3 . GLU A 1 28 ? 8.127 26.736 26.324 1.00 0.00 ? 28 GLU A HB3 2 ATOM 971 H HG2 . GLU A 1 28 ? 7.061 28.897 27.354 1.00 0.00 ? 28 GLU A HG2 2 ATOM 972 H HG3 . GLU A 1 28 ? 8.180 29.844 26.299 1.00 0.00 ? 28 GLU A HG3 2 ATOM 973 N N . GLU A 1 29 ? 8.078 26.465 29.174 1.00 0.00 ? 29 GLU A N 2 ATOM 974 C CA . GLU A 1 29 ? 7.245 26.188 30.369 1.00 0.00 ? 29 GLU A CA 2 ATOM 975 C C . GLU A 1 29 ? 8.089 26.066 31.622 1.00 0.00 ? 29 GLU A C 2 ATOM 976 O O . GLU A 1 29 ? 7.671 26.393 32.727 1.00 0.00 ? 29 GLU A O 2 ATOM 977 C CB . GLU A 1 29 ? 6.369 24.878 30.277 1.00 0.00 ? 29 GLU A CB 2 ATOM 978 C CG . GLU A 1 29 ? 4.962 25.034 29.641 1.00 0.00 ? 29 GLU A CG 2 ATOM 979 C CD . GLU A 1 29 ? 4.114 23.762 29.866 1.00 0.00 ? 29 GLU A CD 2 ATOM 980 O OE1 . GLU A 1 29 ? 4.600 22.630 29.592 1.00 0.00 ? 29 GLU A OE1 2 ATOM 981 O OE2 . GLU A 1 29 ? 2.958 23.919 30.335 1.00 0.00 ? 29 GLU A OE2 2 ATOM 982 H H . GLU A 1 29 ? 8.068 25.731 28.499 1.00 0.00 ? 29 GLU A H 2 ATOM 983 H HA . GLU A 1 29 ? 6.567 27.005 30.523 1.00 0.00 ? 29 GLU A HA 2 ATOM 984 H HB2 . GLU A 1 29 ? 6.915 24.081 29.731 1.00 0.00 ? 29 GLU A HB2 2 ATOM 985 H HB3 . GLU A 1 29 ? 6.116 24.452 31.278 1.00 0.00 ? 29 GLU A HB3 2 ATOM 986 H HG2 . GLU A 1 29 ? 4.435 25.896 30.104 1.00 0.00 ? 29 GLU A HG2 2 ATOM 987 H HG3 . GLU A 1 29 ? 5.047 25.228 28.557 1.00 0.00 ? 29 GLU A HG3 2 ATOM 988 N N . ALA A 1 30 ? 9.342 25.618 31.423 1.00 0.00 ? 30 ALA A N 2 ATOM 989 C CA . ALA A 1 30 ? 10.335 25.257 32.403 1.00 0.00 ? 30 ALA A CA 2 ATOM 990 C C . ALA A 1 30 ? 11.091 26.455 32.921 1.00 0.00 ? 30 ALA A C 2 ATOM 991 O O . ALA A 1 30 ? 11.248 26.606 34.127 1.00 0.00 ? 30 ALA A O 2 ATOM 992 C CB . ALA A 1 30 ? 11.312 24.255 31.761 1.00 0.00 ? 30 ALA A CB 2 ATOM 993 H H . ALA A 1 30 ? 9.608 25.470 30.471 1.00 0.00 ? 30 ALA A H 2 ATOM 994 H HA . ALA A 1 30 ? 9.848 24.790 33.249 1.00 0.00 ? 30 ALA A HA 2 ATOM 995 H HB1 . ALA A 1 30 ? 11.754 24.665 30.826 1.00 0.00 ? 30 ALA A HB1 2 ATOM 996 H HB2 . ALA A 1 30 ? 12.136 23.929 32.433 1.00 0.00 ? 30 ALA A HB2 2 ATOM 997 H HB3 . ALA A 1 30 ? 10.738 23.343 31.474 1.00 0.00 ? 30 ALA A HB3 2 ATOM 998 N N . ALA A 1 31 ? 11.543 27.366 32.017 1.00 0.00 ? 31 ALA A N 2 ATOM 999 C CA . ALA A 1 31 ? 12.132 28.664 32.313 1.00 0.00 ? 31 ALA A CA 2 ATOM 1000 C C . ALA A 1 31 ? 11.079 29.758 32.353 1.00 0.00 ? 31 ALA A C 2 ATOM 1001 O O . ALA A 1 31 ? 11.356 30.929 32.097 1.00 0.00 ? 31 ALA A O 2 ATOM 1002 C CB . ALA A 1 31 ? 13.293 29.035 31.352 1.00 0.00 ? 31 ALA A CB 2 ATOM 1003 H H . ALA A 1 31 ? 11.473 27.192 31.028 1.00 0.00 ? 31 ALA A H 2 ATOM 1004 H HA . ALA A 1 31 ? 12.568 28.622 33.299 1.00 0.00 ? 31 ALA A HA 2 ATOM 1005 H HB1 . ALA A 1 31 ? 14.095 28.270 31.430 1.00 0.00 ? 31 ALA A HB1 2 ATOM 1006 H HB2 . ALA A 1 31 ? 12.963 29.077 30.292 1.00 0.00 ? 31 ALA A HB2 2 ATOM 1007 H HB3 . ALA A 1 31 ? 13.744 30.016 31.614 1.00 0.00 ? 31 ALA A HB3 2 ATOM 1008 N N . LYS A 1 32 ? 9.843 29.381 32.774 1.00 0.00 ? 32 LYS A N 2 ATOM 1009 C CA . LYS A 1 32 ? 8.749 30.249 33.171 1.00 0.00 ? 32 LYS A CA 2 ATOM 1010 C C . LYS A 1 32 ? 8.764 30.261 34.681 1.00 0.00 ? 32 LYS A C 2 ATOM 1011 O O . LYS A 1 32 ? 9.420 31.117 35.282 1.00 0.00 ? 32 LYS A O 2 ATOM 1012 C CB . LYS A 1 32 ? 7.348 29.863 32.585 1.00 0.00 ? 32 LYS A CB 2 ATOM 1013 C CG . LYS A 1 32 ? 7.105 30.549 31.226 1.00 0.00 ? 32 LYS A CG 2 ATOM 1014 C CD . LYS A 1 32 ? 5.980 29.960 30.353 1.00 0.00 ? 32 LYS A CD 2 ATOM 1015 C CE . LYS A 1 32 ? 4.583 30.590 30.457 1.00 0.00 ? 32 LYS A CE 2 ATOM 1016 N NZ . LYS A 1 32 ? 4.003 30.475 31.813 1.00 0.00 ? 32 LYS A NZ 2 ATOM 1017 H H . LYS A 1 32 ? 9.691 28.407 32.926 1.00 0.00 ? 32 LYS A H 2 ATOM 1018 H HA . LYS A 1 32 ? 8.941 31.252 32.845 1.00 0.00 ? 32 LYS A HA 2 ATOM 1019 H HB2 . LYS A 1 32 ? 7.229 28.767 32.507 1.00 0.00 ? 32 LYS A HB2 2 ATOM 1020 H HB3 . LYS A 1 32 ? 6.515 30.247 33.211 1.00 0.00 ? 32 LYS A HB3 2 ATOM 1021 H HG2 . LYS A 1 32 ? 6.970 31.643 31.351 1.00 0.00 ? 32 LYS A HG2 2 ATOM 1022 H HG3 . LYS A 1 32 ? 8.054 30.432 30.669 1.00 0.00 ? 32 LYS A HG3 2 ATOM 1023 H HD2 . LYS A 1 32 ? 6.298 30.119 29.299 1.00 0.00 ? 32 LYS A HD2 2 ATOM 1024 H HD3 . LYS A 1 32 ? 5.920 28.870 30.505 1.00 0.00 ? 32 LYS A HD3 2 ATOM 1025 H HE2 . LYS A 1 32 ? 4.636 31.676 30.233 1.00 0.00 ? 32 LYS A HE2 2 ATOM 1026 H HE3 . LYS A 1 32 ? 3.887 30.096 29.745 1.00 0.00 ? 32 LYS A HE3 2 ATOM 1027 H HZ1 . LYS A 1 32 ? 3.947 29.506 32.172 1.00 0.00 ? 32 LYS A HZ1 2 ATOM 1028 H HZ2 . LYS A 1 32 ? 4.588 31.118 32.447 1.00 0.00 ? 32 LYS A HZ2 2 ATOM 1029 H HZ3 . LYS A 1 32 ? 3.059 30.894 31.843 1.00 0.00 ? 32 LYS A HZ3 2 ATOM 1030 N N . GLU A 1 33 ? 8.107 29.244 35.313 1.00 0.00 ? 33 GLU A N 2 ATOM 1031 C CA . GLU A 1 33 ? 7.880 29.093 36.751 1.00 0.00 ? 33 GLU A CA 2 ATOM 1032 C C . GLU A 1 33 ? 9.141 28.843 37.565 1.00 0.00 ? 33 GLU A C 2 ATOM 1033 O O . GLU A 1 33 ? 9.214 29.219 38.732 1.00 0.00 ? 33 GLU A O 2 ATOM 1034 C CB . GLU A 1 33 ? 6.797 28.015 37.108 1.00 0.00 ? 33 GLU A CB 2 ATOM 1035 C CG . GLU A 1 33 ? 5.375 28.611 37.257 1.00 0.00 ? 33 GLU A CG 2 ATOM 1036 C CD . GLU A 1 33 ? 4.437 27.654 38.020 1.00 0.00 ? 33 GLU A CD 2 ATOM 1037 O OE1 . GLU A 1 33 ? 4.287 26.486 37.567 1.00 0.00 ? 33 GLU A OE1 2 ATOM 1038 O OE2 . GLU A 1 33 ? 3.864 28.075 39.065 1.00 0.00 ? 33 GLU A OE2 2 ATOM 1039 H H . GLU A 1 33 ? 7.659 28.556 34.755 1.00 0.00 ? 33 GLU A H 2 ATOM 1040 H HA . GLU A 1 33 ? 7.476 30.029 37.097 1.00 0.00 ? 33 GLU A HA 2 ATOM 1041 H HB2 . GLU A 1 33 ? 6.778 27.201 36.349 1.00 0.00 ? 33 GLU A HB2 2 ATOM 1042 H HB3 . GLU A 1 33 ? 6.983 27.521 38.090 1.00 0.00 ? 33 GLU A HB3 2 ATOM 1043 H HG2 . GLU A 1 33 ? 5.431 29.549 37.854 1.00 0.00 ? 33 GLU A HG2 2 ATOM 1044 H HG3 . GLU A 1 33 ? 4.939 28.853 36.266 1.00 0.00 ? 33 GLU A HG3 2 ATOM 1045 N N . ALA A 1 34 ? 10.162 28.192 36.958 1.00 0.00 ? 34 ALA A N 2 ATOM 1046 C CA . ALA A 1 34 ? 11.432 27.898 37.605 1.00 0.00 ? 34 ALA A CA 2 ATOM 1047 C C . ALA A 1 34 ? 12.530 28.932 37.432 1.00 0.00 ? 34 ALA A C 2 ATOM 1048 O O . ALA A 1 34 ? 13.656 28.681 37.860 1.00 0.00 ? 34 ALA A O 2 ATOM 1049 C CB . ALA A 1 34 ? 12.003 26.527 37.183 1.00 0.00 ? 34 ALA A CB 2 ATOM 1050 H H . ALA A 1 34 ? 10.080 27.944 35.995 1.00 0.00 ? 34 ALA A H 2 ATOM 1051 H HA . ALA A 1 34 ? 11.244 27.843 38.671 1.00 0.00 ? 34 ALA A HA 2 ATOM 1052 H HB1 . ALA A 1 34 ? 11.206 25.759 37.238 1.00 0.00 ? 34 ALA A HB1 2 ATOM 1053 H HB2 . ALA A 1 34 ? 12.395 26.530 36.144 1.00 0.00 ? 34 ALA A HB2 2 ATOM 1054 H HB3 . ALA A 1 34 ? 12.834 26.205 37.847 1.00 0.00 ? 34 ALA A HB3 2 ATOM 1055 N N . VAL A 1 35 ? 12.267 30.093 36.766 1.00 0.00 ? 35 VAL A N 2 ATOM 1056 C CA . VAL A 1 35 ? 13.285 31.100 36.480 1.00 0.00 ? 35 VAL A CA 2 ATOM 1057 C C . VAL A 1 35 ? 12.697 32.439 36.831 1.00 0.00 ? 35 VAL A C 2 ATOM 1058 O O . VAL A 1 35 ? 13.208 33.149 37.698 1.00 0.00 ? 35 VAL A O 2 ATOM 1059 C CB . VAL A 1 35 ? 13.762 31.097 35.020 1.00 0.00 ? 35 VAL A CB 2 ATOM 1060 C CG1 . VAL A 1 35 ? 14.626 32.330 34.621 1.00 0.00 ? 35 VAL A CG1 2 ATOM 1061 C CG2 . VAL A 1 35 ? 14.575 29.810 34.784 1.00 0.00 ? 35 VAL A CG2 2 ATOM 1062 H H . VAL A 1 35 ? 11.347 30.285 36.424 1.00 0.00 ? 35 VAL A H 2 ATOM 1063 H HA . VAL A 1 35 ? 14.151 30.971 37.117 1.00 0.00 ? 35 VAL A HA 2 ATOM 1064 H HB . VAL A 1 35 ? 12.890 31.078 34.336 1.00 0.00 ? 35 VAL A HB 2 ATOM 1065 H HG11 . VAL A 1 35 ? 15.462 32.483 35.332 1.00 0.00 ? 35 VAL A HG11 2 ATOM 1066 H HG12 . VAL A 1 35 ? 15.055 32.174 33.609 1.00 0.00 ? 35 VAL A HG12 2 ATOM 1067 H HG13 . VAL A 1 35 ? 14.032 33.269 34.572 1.00 0.00 ? 35 VAL A HG13 2 ATOM 1068 H HG21 . VAL A 1 35 ? 13.968 28.902 34.975 1.00 0.00 ? 35 VAL A HG21 2 ATOM 1069 H HG22 . VAL A 1 35 ? 14.939 29.758 33.736 1.00 0.00 ? 35 VAL A HG22 2 ATOM 1070 H HG23 . VAL A 1 35 ? 15.451 29.780 35.463 1.00 0.00 ? 35 VAL A HG23 2 ATOM 1071 N N . ASN A 1 36 ? 11.617 32.848 36.105 1.00 0.00 ? 36 ASN A N 2 ATOM 1072 C CA . ASN A 1 36 ? 11.078 34.205 36.192 1.00 0.00 ? 36 ASN A CA 2 ATOM 1073 C C . ASN A 1 36 ? 9.848 34.234 37.070 1.00 0.00 ? 36 ASN A C 2 ATOM 1074 O O . ASN A 1 36 ? 9.641 35.213 37.782 1.00 0.00 ? 36 ASN A O 2 ATOM 1075 C CB . ASN A 1 36 ? 10.887 34.960 34.824 1.00 0.00 ? 36 ASN A CB 2 ATOM 1076 C CG . ASN A 1 36 ? 9.669 34.579 33.971 1.00 0.00 ? 36 ASN A CG 2 ATOM 1077 O OD1 . ASN A 1 36 ? 8.667 35.252 34.193 1.00 0.00 ? 36 ASN A OD1 2 ATOM 1078 N ND2 . ASN A 1 36 ? 9.667 33.577 33.064 1.00 0.00 ? 36 ASN A ND2 2 ATOM 1079 H H . ASN A 1 36 ? 11.150 32.235 35.463 1.00 0.00 ? 36 ASN A H 2 ATOM 1080 H HA . ASN A 1 36 ? 11.786 34.843 36.706 1.00 0.00 ? 36 ASN A HA 2 ATOM 1081 H HB2 . ASN A 1 36 ? 10.731 36.036 35.058 1.00 0.00 ? 36 ASN A HB2 2 ATOM 1082 H HB3 . ASN A 1 36 ? 11.810 34.896 34.215 1.00 0.00 ? 36 ASN A HB3 2 ATOM 1083 H HD21 . ASN A 1 36 ? 10.489 33.044 32.834 1.00 0.00 ? 36 ASN A HD21 2 ATOM 1084 H HD22 . ASN A 1 36 ? 8.738 33.216 32.855 1.00 0.00 ? 36 ASN A HD22 2 ATOM 1085 N N . LEU A 1 37 ? 9.029 33.158 37.016 1.00 0.00 ? 37 LEU A N 2 ATOM 1086 C CA . LEU A 1 37 ? 7.899 32.806 37.862 1.00 0.00 ? 37 LEU A CA 2 ATOM 1087 C C . LEU A 1 37 ? 6.572 33.006 37.147 1.00 0.00 ? 37 LEU A C 2 ATOM 1088 O O . LEU A 1 37 ? 5.509 32.752 37.708 1.00 0.00 ? 37 LEU A O 2 ATOM 1089 C CB . LEU A 1 37 ? 7.884 33.379 39.315 1.00 0.00 ? 37 LEU A CB 2 ATOM 1090 C CG . LEU A 1 37 ? 7.404 32.400 40.407 1.00 0.00 ? 37 LEU A CG 2 ATOM 1091 C CD1 . LEU A 1 37 ? 8.590 31.648 41.042 1.00 0.00 ? 37 LEU A CD1 2 ATOM 1092 C CD2 . LEU A 1 37 ? 6.600 33.161 41.467 1.00 0.00 ? 37 LEU A CD2 2 ATOM 1093 H H . LEU A 1 37 ? 9.226 32.424 36.351 1.00 0.00 ? 37 LEU A H 2 ATOM 1094 H HA . LEU A 1 37 ? 8.016 31.746 37.984 1.00 0.00 ? 37 LEU A HA 2 ATOM 1095 H HB2 . LEU A 1 37 ? 8.928 33.613 39.610 1.00 0.00 ? 37 LEU A HB2 2 ATOM 1096 H HB3 . LEU A 1 37 ? 7.315 34.334 39.368 1.00 0.00 ? 37 LEU A HB3 2 ATOM 1097 H HG . LEU A 1 37 ? 6.737 31.642 39.940 1.00 0.00 ? 37 LEU A HG 2 ATOM 1098 H HD11 . LEU A 1 37 ? 9.184 31.123 40.262 1.00 0.00 ? 37 LEU A HD11 2 ATOM 1099 H HD12 . LEU A 1 37 ? 9.268 32.342 41.581 1.00 0.00 ? 37 LEU A HD12 2 ATOM 1100 H HD13 . LEU A 1 37 ? 8.232 30.882 41.765 1.00 0.00 ? 37 LEU A HD13 2 ATOM 1101 H HD21 . LEU A 1 37 ? 5.793 33.746 40.975 1.00 0.00 ? 37 LEU A HD21 2 ATOM 1102 H HD22 . LEU A 1 37 ? 6.138 32.456 42.190 1.00 0.00 ? 37 LEU A HD22 2 ATOM 1103 H HD23 . LEU A 1 37 ? 7.263 33.860 42.016 1.00 0.00 ? 37 LEU A HD23 2 ATOM 1104 N N . LYS A 1 38 ? 6.617 33.492 35.887 1.00 0.00 ? 38 LYS A N 2 ATOM 1105 C CA . LYS A 1 38 ? 5.471 33.710 35.040 1.00 0.00 ? 38 LYS A CA 2 ATOM 1106 C C . LYS A 1 38 ? 5.876 32.929 33.788 1.00 0.00 ? 38 LYS A C 2 ATOM 1107 O O . LYS A 1 38 ? 4.987 32.468 33.011 1.00 0.00 ? 38 LYS A O 2 ATOM 1108 C CB . LYS A 1 38 ? 5.239 35.189 34.614 1.00 0.00 ? 38 LYS A CB 2 ATOM 1109 C CG . LYS A 1 38 ? 4.743 36.168 35.709 1.00 0.00 ? 38 LYS A CG 2 ATOM 1110 C CD . LYS A 1 38 ? 5.746 36.580 36.807 1.00 0.00 ? 38 LYS A CD 2 ATOM 1111 C CE . LYS A 1 38 ? 6.944 37.377 36.252 1.00 0.00 ? 38 LYS A CE 2 ATOM 1112 N NZ . LYS A 1 38 ? 8.162 37.255 37.088 1.00 0.00 ? 38 LYS A NZ 2 ATOM 1113 O OXT . LYS A 1 38 ? 7.099 32.822 33.537 1.00 0.00 ? 38 LYS A OXT 2 ATOM 1114 H H . LYS A 1 38 ? 7.453 33.550 35.329 1.00 0.00 ? 38 LYS A H 2 ATOM 1115 H HA . LYS A 1 38 ? 4.572 33.275 35.449 1.00 0.00 ? 38 LYS A HA 2 ATOM 1116 H HB2 . LYS A 1 38 ? 6.158 35.573 34.127 1.00 0.00 ? 38 LYS A HB2 2 ATOM 1117 H HB3 . LYS A 1 38 ? 4.459 35.180 33.821 1.00 0.00 ? 38 LYS A HB3 2 ATOM 1118 H HG2 . LYS A 1 38 ? 4.418 37.112 35.216 1.00 0.00 ? 38 LYS A HG2 2 ATOM 1119 H HG3 . LYS A 1 38 ? 3.853 35.710 36.191 1.00 0.00 ? 38 LYS A HG3 2 ATOM 1120 H HD2 . LYS A 1 38 ? 5.204 37.240 37.520 1.00 0.00 ? 38 LYS A HD2 2 ATOM 1121 H HD3 . LYS A 1 38 ? 6.041 35.682 37.385 1.00 0.00 ? 38 LYS A HD3 2 ATOM 1122 H HE2 . LYS A 1 38 ? 7.225 37.036 35.234 1.00 0.00 ? 38 LYS A HE2 2 ATOM 1123 H HE3 . LYS A 1 38 ? 6.672 38.455 36.208 1.00 0.00 ? 38 LYS A HE3 2 ATOM 1124 H HZ1 . LYS A 1 38 ? 7.959 37.482 38.077 1.00 0.00 ? 38 LYS A HZ1 2 ATOM 1125 H HZ2 . LYS A 1 38 ? 8.600 36.289 37.085 1.00 0.00 ? 38 LYS A HZ2 2 ATOM 1126 H HZ3 . LYS A 1 38 ? 8.879 37.909 36.728 1.00 0.00 ? 38 LYS A HZ3 2 ATOM 1127 N N . GLU A 1 1 ? 1.668 2.342 -8.200 1.00 0.00 ? 1 GLU A N 3 ATOM 1128 C CA . GLU A 1 1 ? 0.632 1.387 -7.756 1.00 0.00 ? 1 GLU A CA 3 ATOM 1129 C C . GLU A 1 1 ? -0.334 2.255 -7.013 1.00 0.00 ? 1 GLU A C 3 ATOM 1130 O O . GLU A 1 1 ? -0.686 3.332 -7.493 1.00 0.00 ? 1 GLU A O 3 ATOM 1131 C CB . GLU A 1 1 ? 1.247 0.272 -6.868 1.00 0.00 ? 1 GLU A CB 3 ATOM 1132 C CG . GLU A 1 1 ? 2.329 -0.567 -7.572 1.00 0.00 ? 1 GLU A CG 3 ATOM 1133 C CD . GLU A 1 1 ? 2.864 -1.619 -6.605 1.00 0.00 ? 1 GLU A CD 3 ATOM 1134 O OE1 . GLU A 1 1 ? 2.591 -1.493 -5.382 1.00 0.00 ? 1 GLU A OE1 3 ATOM 1135 O OE2 . GLU A 1 1 ? 3.563 -2.546 -7.086 1.00 0.00 ? 1 GLU A OE2 3 ATOM 1136 H H1 . GLU A 1 1 ? 1.186 3.125 -8.685 1.00 0.00 ? 1 GLU A H1 3 ATOM 1137 H H2 . GLU A 1 1 ? 2.168 2.717 -7.367 1.00 0.00 ? 1 GLU A H2 3 ATOM 1138 H H3 . GLU A 1 1 ? 2.343 1.874 -8.840 1.00 0.00 ? 1 GLU A H3 3 ATOM 1139 H HA . GLU A 1 1 ? 0.147 0.979 -8.631 1.00 0.00 ? 1 GLU A HA 3 ATOM 1140 H HB2 . GLU A 1 1 ? 1.704 0.684 -5.937 1.00 0.00 ? 1 GLU A HB2 3 ATOM 1141 H HB3 . GLU A 1 1 ? 0.462 -0.461 -6.566 1.00 0.00 ? 1 GLU A HB3 3 ATOM 1142 H HG2 . GLU A 1 1 ? 1.884 -1.096 -8.440 1.00 0.00 ? 1 GLU A HG2 3 ATOM 1143 H HG3 . GLU A 1 1 ? 3.198 0.028 -7.917 1.00 0.00 ? 1 GLU A HG3 3 ATOM 1144 N N . ALA A 1 2 ? -0.721 1.843 -5.781 1.00 0.00 ? 2 ALA A N 3 ATOM 1145 C CA . ALA A 1 2 ? -1.595 2.573 -4.886 1.00 0.00 ? 2 ALA A CA 3 ATOM 1146 C C . ALA A 1 2 ? -0.761 3.277 -3.829 1.00 0.00 ? 2 ALA A C 3 ATOM 1147 O O . ALA A 1 2 ? -0.835 2.943 -2.648 1.00 0.00 ? 2 ALA A O 3 ATOM 1148 C CB . ALA A 1 2 ? -2.615 1.613 -4.214 1.00 0.00 ? 2 ALA A CB 3 ATOM 1149 H H . ALA A 1 2 ? -0.405 0.970 -5.408 1.00 0.00 ? 2 ALA A H 3 ATOM 1150 H HA . ALA A 1 2 ? -2.156 3.325 -5.429 1.00 0.00 ? 2 ALA A HA 3 ATOM 1151 H HB1 . ALA A 1 2 ? -2.103 0.812 -3.635 1.00 0.00 ? 2 ALA A HB1 3 ATOM 1152 H HB2 . ALA A 1 2 ? -3.302 2.160 -3.529 1.00 0.00 ? 2 ALA A HB2 3 ATOM 1153 H HB3 . ALA A 1 2 ? -3.238 1.125 -4.995 1.00 0.00 ? 2 ALA A HB3 3 ATOM 1154 N N . TYR A 1 3 ? 0.046 4.276 -4.260 1.00 0.00 ? 3 TYR A N 3 ATOM 1155 C CA . TYR A 1 3 ? 0.776 5.216 -3.444 1.00 0.00 ? 3 TYR A CA 3 ATOM 1156 C C . TYR A 1 3 ? 1.200 6.206 -4.506 1.00 0.00 ? 3 TYR A C 3 ATOM 1157 O O . TYR A 1 3 ? 0.930 5.963 -5.682 1.00 0.00 ? 3 TYR A O 3 ATOM 1158 C CB . TYR A 1 3 ? 1.933 4.652 -2.537 1.00 0.00 ? 3 TYR A CB 3 ATOM 1159 C CG . TYR A 1 3 ? 3.080 3.988 -3.271 1.00 0.00 ? 3 TYR A CG 3 ATOM 1160 C CD1 . TYR A 1 3 ? 3.007 2.658 -3.730 1.00 0.00 ? 3 TYR A CD1 3 ATOM 1161 C CD2 . TYR A 1 3 ? 4.260 4.717 -3.503 1.00 0.00 ? 3 TYR A CD2 3 ATOM 1162 C CE1 . TYR A 1 3 ? 4.071 2.086 -4.448 1.00 0.00 ? 3 TYR A CE1 3 ATOM 1163 C CE2 . TYR A 1 3 ? 5.319 4.161 -4.225 1.00 0.00 ? 3 TYR A CE2 3 ATOM 1164 C CZ . TYR A 1 3 ? 5.224 2.851 -4.707 1.00 0.00 ? 3 TYR A CZ 3 ATOM 1165 O OH . TYR A 1 3 ? 6.300 2.332 -5.455 1.00 0.00 ? 3 TYR A OH 3 ATOM 1166 H H . TYR A 1 3 ? 0.119 4.543 -5.230 1.00 0.00 ? 3 TYR A H 3 ATOM 1167 H HA . TYR A 1 3 ? 0.061 5.712 -2.804 1.00 0.00 ? 3 TYR A HA 3 ATOM 1168 H HB2 . TYR A 1 3 ? 2.351 5.469 -1.909 1.00 0.00 ? 3 TYR A HB2 3 ATOM 1169 H HB3 . TYR A 1 3 ? 1.501 3.901 -1.839 1.00 0.00 ? 3 TYR A HB3 3 ATOM 1170 H HD1 . TYR A 1 3 ? 2.126 2.067 -3.528 1.00 0.00 ? 3 TYR A HD1 3 ATOM 1171 H HD2 . TYR A 1 3 ? 4.353 5.726 -3.130 1.00 0.00 ? 3 TYR A HD2 3 ATOM 1172 H HE1 . TYR A 1 3 ? 3.987 1.063 -4.792 1.00 0.00 ? 3 TYR A HE1 3 ATOM 1173 H HE2 . TYR A 1 3 ? 6.209 4.748 -4.408 1.00 0.00 ? 3 TYR A HE2 3 ATOM 1174 H HH . TYR A 1 3 ? 6.114 1.408 -5.643 1.00 0.00 ? 3 TYR A HH 3 ATOM 1175 N N . LYS A 1 4 ? 1.847 7.332 -4.123 1.00 0.00 ? 4 LYS A N 3 ATOM 1176 C CA . LYS A 1 4 ? 2.231 8.418 -5.006 1.00 0.00 ? 4 LYS A CA 3 ATOM 1177 C C . LYS A 1 4 ? 3.571 8.853 -4.457 1.00 0.00 ? 4 LYS A C 3 ATOM 1178 O O . LYS A 1 4 ? 4.456 8.042 -4.206 1.00 0.00 ? 4 LYS A O 3 ATOM 1179 C CB . LYS A 1 4 ? 1.178 9.590 -4.974 1.00 0.00 ? 4 LYS A CB 3 ATOM 1180 C CG . LYS A 1 4 ? -0.022 9.434 -5.924 1.00 0.00 ? 4 LYS A CG 3 ATOM 1181 C CD . LYS A 1 4 ? 0.327 9.755 -7.388 1.00 0.00 ? 4 LYS A CD 3 ATOM 1182 C CE . LYS A 1 4 ? -0.906 9.887 -8.300 1.00 0.00 ? 4 LYS A CE 3 ATOM 1183 N NZ . LYS A 1 4 ? -0.536 10.401 -9.650 1.00 0.00 ? 4 LYS A NZ 3 ATOM 1184 H H . LYS A 1 4 ? 2.127 7.456 -3.170 1.00 0.00 ? 4 LYS A H 3 ATOM 1185 H HA . LYS A 1 4 ? 2.396 8.066 -6.017 1.00 0.00 ? 4 LYS A HA 3 ATOM 1186 H HB2 . LYS A 1 4 ? 0.780 9.681 -3.937 1.00 0.00 ? 4 LYS A HB2 3 ATOM 1187 H HB3 . LYS A 1 4 ? 1.581 10.581 -5.280 1.00 0.00 ? 4 LYS A HB3 3 ATOM 1188 H HG2 . LYS A 1 4 ? -0.465 8.419 -5.830 1.00 0.00 ? 4 LYS A HG2 3 ATOM 1189 H HG3 . LYS A 1 4 ? -0.790 10.169 -5.596 1.00 0.00 ? 4 LYS A HG3 3 ATOM 1190 H HD2 . LYS A 1 4 ? 0.872 10.724 -7.383 1.00 0.00 ? 4 LYS A HD2 3 ATOM 1191 H HD3 . LYS A 1 4 ? 1.019 8.974 -7.772 1.00 0.00 ? 4 LYS A HD3 3 ATOM 1192 H HE2 . LYS A 1 4 ? -1.398 8.898 -8.426 1.00 0.00 ? 4 LYS A HE2 3 ATOM 1193 H HE3 . LYS A 1 4 ? -1.635 10.600 -7.855 1.00 0.00 ? 4 LYS A HE3 3 ATOM 1194 H HZ1 . LYS A 1 4 ? 0.145 9.760 -10.103 1.00 0.00 ? 4 LYS A HZ1 3 ATOM 1195 H HZ2 . LYS A 1 4 ? -1.391 10.461 -10.243 1.00 0.00 ? 4 LYS A HZ2 3 ATOM 1196 H HZ3 . LYS A 1 4 ? -0.115 11.349 -9.575 1.00 0.00 ? 4 LYS A HZ3 3 ATOM 1197 N N . LYS A 1 5 ? 3.732 10.167 -4.171 1.00 0.00 ? 5 LYS A N 3 ATOM 1198 C CA . LYS A 1 5 ? 4.789 10.748 -3.359 1.00 0.00 ? 5 LYS A CA 3 ATOM 1199 C C . LYS A 1 5 ? 4.073 11.438 -2.223 1.00 0.00 ? 5 LYS A C 3 ATOM 1200 O O . LYS A 1 5 ? 4.576 12.381 -1.622 1.00 0.00 ? 5 LYS A O 3 ATOM 1201 C CB . LYS A 1 5 ? 5.740 11.710 -4.140 1.00 0.00 ? 5 LYS A CB 3 ATOM 1202 C CG . LYS A 1 5 ? 6.894 10.949 -4.817 1.00 0.00 ? 5 LYS A CG 3 ATOM 1203 C CD . LYS A 1 5 ? 7.847 11.848 -5.628 1.00 0.00 ? 5 LYS A CD 3 ATOM 1204 C CE . LYS A 1 5 ? 9.172 11.173 -6.037 1.00 0.00 ? 5 LYS A CE 3 ATOM 1205 N NZ . LYS A 1 5 ? 10.047 10.918 -4.854 1.00 0.00 ? 5 LYS A NZ 3 ATOM 1206 H H . LYS A 1 5 ? 3.041 10.827 -4.453 1.00 0.00 ? 5 LYS A H 3 ATOM 1207 H HA . LYS A 1 5 ? 5.393 9.974 -2.898 1.00 0.00 ? 5 LYS A HA 3 ATOM 1208 H HB2 . LYS A 1 5 ? 5.163 12.285 -4.894 1.00 0.00 ? 5 LYS A HB2 3 ATOM 1209 H HB3 . LYS A 1 5 ? 6.233 12.444 -3.461 1.00 0.00 ? 5 LYS A HB3 3 ATOM 1210 H HG2 . LYS A 1 5 ? 7.452 10.444 -4.002 1.00 0.00 ? 5 LYS A HG2 3 ATOM 1211 H HG3 . LYS A 1 5 ? 6.471 10.160 -5.477 1.00 0.00 ? 5 LYS A HG3 3 ATOM 1212 H HD2 . LYS A 1 5 ? 7.307 12.150 -6.554 1.00 0.00 ? 5 LYS A HD2 3 ATOM 1213 H HD3 . LYS A 1 5 ? 8.063 12.777 -5.055 1.00 0.00 ? 5 LYS A HD3 3 ATOM 1214 H HE2 . LYS A 1 5 ? 8.972 10.200 -6.537 1.00 0.00 ? 5 LYS A HE2 3 ATOM 1215 H HE3 . LYS A 1 5 ? 9.738 11.828 -6.734 1.00 0.00 ? 5 LYS A HE3 3 ATOM 1216 H HZ1 . LYS A 1 5 ? 9.542 10.320 -4.167 1.00 0.00 ? 5 LYS A HZ1 3 ATOM 1217 H HZ2 . LYS A 1 5 ? 10.915 10.431 -5.159 1.00 0.00 ? 5 LYS A HZ2 3 ATOM 1218 H HZ3 . LYS A 1 5 ? 10.311 11.819 -4.404 1.00 0.00 ? 5 LYS A HZ3 3 ATOM 1219 N N . ALA A 1 6 ? 2.877 10.875 -1.896 1.00 0.00 ? 6 ALA A N 3 ATOM 1220 C CA . ALA A 1 6 ? 2.194 10.893 -0.622 1.00 0.00 ? 6 ALA A CA 3 ATOM 1221 C C . ALA A 1 6 ? 2.677 9.649 0.092 1.00 0.00 ? 6 ALA A C 3 ATOM 1222 O O . ALA A 1 6 ? 2.786 8.583 -0.517 1.00 0.00 ? 6 ALA A O 3 ATOM 1223 C CB . ALA A 1 6 ? 0.646 10.854 -0.741 1.00 0.00 ? 6 ALA A CB 3 ATOM 1224 H H . ALA A 1 6 ? 2.567 10.134 -2.479 1.00 0.00 ? 6 ALA A H 3 ATOM 1225 H HA . ALA A 1 6 ? 2.495 11.775 -0.064 1.00 0.00 ? 6 ALA A HA 3 ATOM 1226 H HB1 . ALA A 1 6 ? 0.289 9.958 -1.297 1.00 0.00 ? 6 ALA A HB1 3 ATOM 1227 H HB2 . ALA A 1 6 ? 0.153 10.857 0.259 1.00 0.00 ? 6 ALA A HB2 3 ATOM 1228 H HB3 . ALA A 1 6 ? 0.296 11.753 -1.292 1.00 0.00 ? 6 ALA A HB3 3 ATOM 1229 N N . LYS A 1 7 ? 3.005 9.803 1.395 1.00 0.00 ? 7 LYS A N 3 ATOM 1230 C CA . LYS A 1 7 ? 3.780 8.883 2.212 1.00 0.00 ? 7 LYS A CA 3 ATOM 1231 C C . LYS A 1 7 ? 2.885 8.011 3.060 1.00 0.00 ? 7 LYS A C 3 ATOM 1232 O O . LYS A 1 7 ? 3.307 6.958 3.533 1.00 0.00 ? 7 LYS A O 3 ATOM 1233 C CB . LYS A 1 7 ? 4.752 9.661 3.180 1.00 0.00 ? 7 LYS A CB 3 ATOM 1234 C CG . LYS A 1 7 ? 4.201 11.029 3.645 1.00 0.00 ? 7 LYS A CG 3 ATOM 1235 C CD . LYS A 1 7 ? 4.796 11.667 4.921 1.00 0.00 ? 7 LYS A CD 3 ATOM 1236 C CE . LYS A 1 7 ? 6.331 11.838 5.034 1.00 0.00 ? 7 LYS A CE 3 ATOM 1237 N NZ . LYS A 1 7 ? 6.996 10.636 5.597 1.00 0.00 ? 7 LYS A NZ 3 ATOM 1238 H H . LYS A 1 7 ? 2.795 10.667 1.845 1.00 0.00 ? 7 LYS A H 3 ATOM 1239 H HA . LYS A 1 7 ? 4.367 8.223 1.583 1.00 0.00 ? 7 LYS A HA 3 ATOM 1240 H HB2 . LYS A 1 7 ? 5.044 9.050 4.067 1.00 0.00 ? 7 LYS A HB2 3 ATOM 1241 H HB3 . LYS A 1 7 ? 5.689 9.876 2.621 1.00 0.00 ? 7 LYS A HB3 3 ATOM 1242 H HG2 . LYS A 1 7 ? 4.326 11.754 2.811 1.00 0.00 ? 7 LYS A HG2 3 ATOM 1243 H HG3 . LYS A 1 7 ? 3.112 10.946 3.862 1.00 0.00 ? 7 LYS A HG3 3 ATOM 1244 H HD2 . LYS A 1 7 ? 4.370 12.695 4.940 1.00 0.00 ? 7 LYS A HD2 3 ATOM 1245 H HD3 . LYS A 1 7 ? 4.395 11.143 5.813 1.00 0.00 ? 7 LYS A HD3 3 ATOM 1246 H HE2 . LYS A 1 7 ? 6.786 12.077 4.049 1.00 0.00 ? 7 LYS A HE2 3 ATOM 1247 H HE3 . LYS A 1 7 ? 6.559 12.671 5.735 1.00 0.00 ? 7 LYS A HE3 3 ATOM 1248 H HZ1 . LYS A 1 7 ? 6.566 10.337 6.548 1.00 0.00 ? 7 LYS A HZ1 3 ATOM 1249 H HZ2 . LYS A 1 7 ? 6.874 9.834 4.956 1.00 0.00 ? 7 LYS A HZ2 3 ATOM 1250 H HZ3 . LYS A 1 7 ? 8.006 10.809 5.773 1.00 0.00 ? 7 LYS A HZ3 3 ATOM 1251 N N . GLN A 1 8 ? 1.654 8.491 3.351 1.00 0.00 ? 8 GLN A N 3 ATOM 1252 C CA . GLN A 1 8 ? 0.739 7.964 4.329 1.00 0.00 ? 8 GLN A CA 3 ATOM 1253 C C . GLN A 1 8 ? -0.266 9.085 4.301 1.00 0.00 ? 8 GLN A C 3 ATOM 1254 O O . GLN A 1 8 ? -0.361 9.751 3.271 1.00 0.00 ? 8 GLN A O 3 ATOM 1255 C CB . GLN A 1 8 ? 1.309 7.759 5.781 1.00 0.00 ? 8 GLN A CB 3 ATOM 1256 C CG . GLN A 1 8 ? 0.534 6.716 6.618 1.00 0.00 ? 8 GLN A CG 3 ATOM 1257 C CD . GLN A 1 8 ? 0.766 5.305 6.090 1.00 0.00 ? 8 GLN A CD 3 ATOM 1258 O OE1 . GLN A 1 8 ? -0.173 4.608 5.724 1.00 0.00 ? 8 GLN A OE1 3 ATOM 1259 N NE2 . GLN A 1 8 ? 2.042 4.854 6.056 1.00 0.00 ? 8 GLN A NE2 3 ATOM 1260 H H . GLN A 1 8 ? 1.233 9.277 2.877 1.00 0.00 ? 8 GLN A H 3 ATOM 1261 H HA . GLN A 1 8 ? 0.304 7.059 3.926 1.00 0.00 ? 8 GLN A HA 3 ATOM 1262 H HB2 . GLN A 1 8 ? 2.351 7.381 5.713 1.00 0.00 ? 8 GLN A HB2 3 ATOM 1263 H HB3 . GLN A 1 8 ? 1.406 8.717 6.342 1.00 0.00 ? 8 GLN A HB3 3 ATOM 1264 H HG2 . GLN A 1 8 ? 0.904 6.747 7.655 1.00 0.00 ? 8 GLN A HG2 3 ATOM 1265 H HG3 . GLN A 1 8 ? -0.560 6.904 6.642 1.00 0.00 ? 8 GLN A HG3 3 ATOM 1266 H HE21 . GLN A 1 8 ? 2.793 5.458 6.305 1.00 0.00 ? 8 GLN A HE21 3 ATOM 1267 H HE22 . GLN A 1 8 ? 2.219 3.950 5.670 1.00 0.00 ? 8 GLN A HE22 3 ATOM 1268 N N . ALA A 1 9 ? -0.942 9.368 5.448 1.00 0.00 ? 9 ALA A N 3 ATOM 1269 C CA . ALA A 1 9 ? -1.856 10.476 5.662 1.00 0.00 ? 9 ALA A CA 3 ATOM 1270 C C . ALA A 1 9 ? -1.090 11.611 6.309 1.00 0.00 ? 9 ALA A C 3 ATOM 1271 O O . ALA A 1 9 ? -0.331 12.326 5.656 1.00 0.00 ? 9 ALA A O 3 ATOM 1272 C CB . ALA A 1 9 ? -3.062 10.069 6.555 1.00 0.00 ? 9 ALA A CB 3 ATOM 1273 H H . ALA A 1 9 ? -0.818 8.783 6.240 1.00 0.00 ? 9 ALA A H 3 ATOM 1274 H HA . ALA A 1 9 ? -2.237 10.828 4.708 1.00 0.00 ? 9 ALA A HA 3 ATOM 1275 H HB1 . ALA A 1 9 ? -2.762 9.671 7.551 1.00 0.00 ? 9 ALA A HB1 3 ATOM 1276 H HB2 . ALA A 1 9 ? -3.781 10.908 6.706 1.00 0.00 ? 9 ALA A HB2 3 ATOM 1277 H HB3 . ALA A 1 9 ? -3.624 9.254 6.050 1.00 0.00 ? 9 ALA A HB3 3 ATOM 1278 N N . SER A 1 10 ? -1.243 11.849 7.630 1.00 0.00 ? 10 SER A N 3 ATOM 1279 C CA . SER A 1 10 ? -0.522 12.924 8.283 1.00 0.00 ? 10 SER A CA 3 ATOM 1280 C C . SER A 1 10 ? -0.275 12.542 9.712 1.00 0.00 ? 10 SER A C 3 ATOM 1281 O O . SER A 1 10 ? -0.451 13.355 10.608 1.00 0.00 ? 10 SER A O 3 ATOM 1282 C CB . SER A 1 10 ? -1.274 14.295 8.197 1.00 0.00 ? 10 SER A CB 3 ATOM 1283 O OG . SER A 1 10 ? -1.428 14.698 6.834 1.00 0.00 ? 10 SER A OG 3 ATOM 1284 H H . SER A 1 10 ? -1.919 11.353 8.172 1.00 0.00 ? 10 SER A H 3 ATOM 1285 H HA . SER A 1 10 ? 0.467 13.031 7.855 1.00 0.00 ? 10 SER A HA 3 ATOM 1286 H HB2 . SER A 1 10 ? -2.287 14.218 8.648 1.00 0.00 ? 10 SER A HB2 3 ATOM 1287 H HB3 . SER A 1 10 ? -0.718 15.101 8.723 1.00 0.00 ? 10 SER A HB3 3 ATOM 1288 H HG . SER A 1 10 ? -0.965 14.025 6.308 1.00 0.00 ? 10 SER A HG 3 ATOM 1289 N N . GLN A 1 11 ? 0.207 11.293 9.957 1.00 0.00 ? 11 GLN A N 3 ATOM 1290 C CA . GLN A 1 11 ? 0.521 10.706 11.260 1.00 0.00 ? 11 GLN A CA 3 ATOM 1291 C C . GLN A 1 11 ? 1.972 10.944 11.589 1.00 0.00 ? 11 GLN A C 3 ATOM 1292 O O . GLN A 1 11 ? 2.424 10.819 12.716 1.00 0.00 ? 11 GLN A O 3 ATOM 1293 C CB . GLN A 1 11 ? 0.319 9.157 11.231 1.00 0.00 ? 11 GLN A CB 3 ATOM 1294 C CG . GLN A 1 11 ? 1.040 8.414 10.073 1.00 0.00 ? 11 GLN A CG 3 ATOM 1295 C CD . GLN A 1 11 ? 0.928 6.915 10.300 1.00 0.00 ? 11 GLN A CD 3 ATOM 1296 O OE1 . GLN A 1 11 ? -0.081 6.452 10.816 1.00 0.00 ? 11 GLN A OE1 3 ATOM 1297 N NE2 . GLN A 1 11 ? 1.967 6.130 9.917 1.00 0.00 ? 11 GLN A NE2 3 ATOM 1298 H H . GLN A 1 11 ? 0.321 10.663 9.197 1.00 0.00 ? 11 GLN A H 3 ATOM 1299 H HA . GLN A 1 11 ? -0.086 11.151 12.040 1.00 0.00 ? 11 GLN A HA 3 ATOM 1300 H HB2 . GLN A 1 11 ? 0.627 8.704 12.204 1.00 0.00 ? 11 GLN A HB2 3 ATOM 1301 H HB3 . GLN A 1 11 ? -0.768 8.958 11.117 1.00 0.00 ? 11 GLN A HB3 3 ATOM 1302 H HG2 . GLN A 1 11 ? 0.577 8.669 9.098 1.00 0.00 ? 11 GLN A HG2 3 ATOM 1303 H HG3 . GLN A 1 11 ? 2.118 8.674 10.040 1.00 0.00 ? 11 GLN A HG3 3 ATOM 1304 H HE21 . GLN A 1 11 ? 2.781 6.549 9.521 1.00 0.00 ? 11 GLN A HE21 3 ATOM 1305 H HE22 . GLN A 1 11 ? 1.923 5.146 10.110 1.00 0.00 ? 11 GLN A HE22 3 ATOM 1306 N N . ASP A 1 12 ? 2.723 11.264 10.514 1.00 0.00 ? 12 ASP A N 3 ATOM 1307 C CA . ASP A 1 12 ? 4.158 11.360 10.391 1.00 0.00 ? 12 ASP A CA 3 ATOM 1308 C C . ASP A 1 12 ? 4.535 12.818 10.465 1.00 0.00 ? 12 ASP A C 3 ATOM 1309 O O . ASP A 1 12 ? 5.693 13.215 10.554 1.00 0.00 ? 12 ASP A O 3 ATOM 1310 C CB . ASP A 1 12 ? 4.472 10.770 8.998 1.00 0.00 ? 12 ASP A CB 3 ATOM 1311 C CG . ASP A 1 12 ? 5.870 10.256 8.854 1.00 0.00 ? 12 ASP A CG 3 ATOM 1312 O OD1 . ASP A 1 12 ? 6.724 10.371 9.754 1.00 0.00 ? 12 ASP A OD1 3 ATOM 1313 O OD2 . ASP A 1 12 ? 6.088 9.707 7.748 1.00 0.00 ? 12 ASP A OD2 3 ATOM 1314 H H . ASP A 1 12 ? 2.252 11.359 9.646 1.00 0.00 ? 12 ASP A H 3 ATOM 1315 H HA . ASP A 1 12 ? 4.659 10.815 11.190 1.00 0.00 ? 12 ASP A HA 3 ATOM 1316 H HB2 . ASP A 1 12 ? 3.845 9.865 8.863 1.00 0.00 ? 12 ASP A HB2 3 ATOM 1317 H HB3 . ASP A 1 12 ? 4.242 11.468 8.162 1.00 0.00 ? 12 ASP A HB3 3 ATOM 1318 N N . ALA A 1 13 ? 3.472 13.655 10.456 1.00 0.00 ? 13 ALA A N 3 ATOM 1319 C CA . ALA A 1 13 ? 3.500 15.099 10.450 1.00 0.00 ? 13 ALA A CA 3 ATOM 1320 C C . ALA A 1 13 ? 3.272 15.630 11.843 1.00 0.00 ? 13 ALA A C 3 ATOM 1321 O O . ALA A 1 13 ? 3.545 16.797 12.109 1.00 0.00 ? 13 ALA A O 3 ATOM 1322 C CB . ALA A 1 13 ? 2.408 15.672 9.515 1.00 0.00 ? 13 ALA A CB 3 ATOM 1323 H H . ALA A 1 13 ? 2.567 13.239 10.440 1.00 0.00 ? 13 ALA A H 3 ATOM 1324 H HA . ALA A 1 13 ? 4.466 15.454 10.111 1.00 0.00 ? 13 ALA A HA 3 ATOM 1325 H HB1 . ALA A 1 13 ? 1.390 15.318 9.796 1.00 0.00 ? 13 ALA A HB1 3 ATOM 1326 H HB2 . ALA A 1 13 ? 2.399 16.788 9.503 1.00 0.00 ? 13 ALA A HB2 3 ATOM 1327 H HB3 . ALA A 1 13 ? 2.612 15.334 8.479 1.00 0.00 ? 13 ALA A HB3 3 ATOM 1328 N N . GLU A 1 14 ? 2.796 14.754 12.776 1.00 0.00 ? 14 GLU A N 3 ATOM 1329 C CA . GLU A 1 14 ? 2.533 15.048 14.169 1.00 0.00 ? 14 GLU A CA 3 ATOM 1330 C C . GLU A 1 14 ? 3.807 14.914 14.969 1.00 0.00 ? 14 GLU A C 3 ATOM 1331 O O . GLU A 1 14 ? 4.065 15.662 15.909 1.00 0.00 ? 14 GLU A O 3 ATOM 1332 C CB . GLU A 1 14 ? 1.523 14.025 14.753 1.00 0.00 ? 14 GLU A CB 3 ATOM 1333 C CG . GLU A 1 14 ? 1.052 14.320 16.200 1.00 0.00 ? 14 GLU A CG 3 ATOM 1334 C CD . GLU A 1 14 ? 0.877 13.034 17.005 1.00 0.00 ? 14 GLU A CD 3 ATOM 1335 O OE1 . GLU A 1 14 ? 0.690 11.957 16.393 1.00 0.00 ? 14 GLU A OE1 3 ATOM 1336 O OE2 . GLU A 1 14 ? 0.945 13.094 18.263 1.00 0.00 ? 14 GLU A OE2 3 ATOM 1337 H H . GLU A 1 14 ? 2.560 13.819 12.534 1.00 0.00 ? 14 GLU A H 3 ATOM 1338 H HA . GLU A 1 14 ? 2.152 16.059 14.263 1.00 0.00 ? 14 GLU A HA 3 ATOM 1339 H HB2 . GLU A 1 14 ? 0.608 14.015 14.121 1.00 0.00 ? 14 GLU A HB2 3 ATOM 1340 H HB3 . GLU A 1 14 ? 1.954 12.998 14.677 1.00 0.00 ? 14 GLU A HB3 3 ATOM 1341 H HG2 . GLU A 1 14 ? 1.783 14.945 16.747 1.00 0.00 ? 14 GLU A HG2 3 ATOM 1342 H HG3 . GLU A 1 14 ? 0.090 14.870 16.163 1.00 0.00 ? 14 GLU A HG3 3 ATOM 1343 N N . GLN A 1 15 ? 4.686 13.950 14.599 1.00 0.00 ? 15 GLN A N 3 ATOM 1344 C CA . GLN A 1 15 ? 5.904 13.659 15.350 1.00 0.00 ? 15 GLN A CA 3 ATOM 1345 C C . GLN A 1 15 ? 7.025 14.592 14.894 1.00 0.00 ? 15 GLN A C 3 ATOM 1346 O O . GLN A 1 15 ? 7.861 15.052 15.669 1.00 0.00 ? 15 GLN A O 3 ATOM 1347 C CB . GLN A 1 15 ? 6.243 12.139 15.304 1.00 0.00 ? 15 GLN A CB 3 ATOM 1348 C CG . GLN A 1 15 ? 6.444 11.492 16.703 1.00 0.00 ? 15 GLN A CG 3 ATOM 1349 C CD . GLN A 1 15 ? 7.556 12.149 17.517 1.00 0.00 ? 15 GLN A CD 3 ATOM 1350 O OE1 . GLN A 1 15 ? 7.319 12.699 18.591 1.00 0.00 ? 15 GLN A OE1 3 ATOM 1351 N NE2 . GLN A 1 15 ? 8.795 12.093 16.991 1.00 0.00 ? 15 GLN A NE2 3 ATOM 1352 H H . GLN A 1 15 ? 4.480 13.361 13.821 1.00 0.00 ? 15 GLN A H 3 ATOM 1353 H HA . GLN A 1 15 ? 5.724 13.892 16.392 1.00 0.00 ? 15 GLN A HA 3 ATOM 1354 H HB2 . GLN A 1 15 ? 5.337 11.615 14.924 1.00 0.00 ? 15 GLN A HB2 3 ATOM 1355 H HB3 . GLN A 1 15 ? 7.047 11.894 14.572 1.00 0.00 ? 15 GLN A HB3 3 ATOM 1356 H HG2 . GLN A 1 15 ? 5.501 11.599 17.279 1.00 0.00 ? 15 GLN A HG2 3 ATOM 1357 H HG3 . GLN A 1 15 ? 6.648 10.406 16.589 1.00 0.00 ? 15 GLN A HG3 3 ATOM 1358 H HE21 . GLN A 1 15 ? 8.967 11.510 16.206 1.00 0.00 ? 15 GLN A HE21 3 ATOM 1359 H HE22 . GLN A 1 15 ? 9.463 12.860 17.127 1.00 0.00 ? 15 GLN A HE22 3 ATOM 1360 N N . ALA A 1 16 ? 6.905 15.049 13.617 1.00 0.00 ? 16 ALA A N 3 ATOM 1361 C CA . ALA A 1 16 ? 7.695 16.098 12.991 1.00 0.00 ? 16 ALA A CA 3 ATOM 1362 C C . ALA A 1 16 ? 7.297 17.504 13.431 1.00 0.00 ? 16 ALA A C 3 ATOM 1363 O O . ALA A 1 16 ? 7.970 18.474 13.095 1.00 0.00 ? 16 ALA A O 3 ATOM 1364 C CB . ALA A 1 16 ? 7.566 16.027 11.447 1.00 0.00 ? 16 ALA A CB 3 ATOM 1365 H H . ALA A 1 16 ? 6.216 14.646 13.017 1.00 0.00 ? 16 ALA A H 3 ATOM 1366 H HA . ALA A 1 16 ? 8.736 15.952 13.256 1.00 0.00 ? 16 ALA A HA 3 ATOM 1367 H HB1 . ALA A 1 16 ? 7.851 15.016 11.088 1.00 0.00 ? 16 ALA A HB1 3 ATOM 1368 H HB2 . ALA A 1 16 ? 6.523 16.211 11.109 1.00 0.00 ? 16 ALA A HB2 3 ATOM 1369 H HB3 . ALA A 1 16 ? 8.233 16.761 10.938 1.00 0.00 ? 16 ALA A HB3 3 ATOM 1370 N N . ALA A 1 17 ? 6.190 17.622 14.222 1.00 0.00 ? 17 ALA A N 3 ATOM 1371 C CA . ALA A 1 17 ? 5.817 18.833 14.940 1.00 0.00 ? 17 ALA A CA 3 ATOM 1372 C C . ALA A 1 17 ? 6.433 18.824 16.326 1.00 0.00 ? 17 ALA A C 3 ATOM 1373 O O . ALA A 1 17 ? 6.753 19.868 16.888 1.00 0.00 ? 17 ALA A O 3 ATOM 1374 C CB . ALA A 1 17 ? 4.283 19.046 15.044 1.00 0.00 ? 17 ALA A CB 3 ATOM 1375 H H . ALA A 1 17 ? 5.622 16.815 14.384 1.00 0.00 ? 17 ALA A H 3 ATOM 1376 H HA . ALA A 1 17 ? 6.216 19.692 14.419 1.00 0.00 ? 17 ALA A HA 3 ATOM 1377 H HB1 . ALA A 1 17 ? 3.850 19.113 14.024 1.00 0.00 ? 17 ALA A HB1 3 ATOM 1378 H HB2 . ALA A 1 17 ? 3.763 18.221 15.579 1.00 0.00 ? 17 ALA A HB2 3 ATOM 1379 H HB3 . ALA A 1 17 ? 4.036 20.002 15.562 1.00 0.00 ? 17 ALA A HB3 3 ATOM 1380 N N . LYS A 1 18 ? 6.682 17.612 16.893 1.00 0.00 ? 18 LYS A N 3 ATOM 1381 C CA . LYS A 1 18 ? 7.117 17.381 18.262 1.00 0.00 ? 18 LYS A CA 3 ATOM 1382 C C . LYS A 1 18 ? 8.599 17.570 18.429 1.00 0.00 ? 18 LYS A C 3 ATOM 1383 O O . LYS A 1 18 ? 9.041 18.118 19.434 1.00 0.00 ? 18 LYS A O 3 ATOM 1384 C CB . LYS A 1 18 ? 6.737 15.964 18.759 1.00 0.00 ? 18 LYS A CB 3 ATOM 1385 C CG . LYS A 1 18 ? 5.243 15.878 19.052 1.00 0.00 ? 18 LYS A CG 3 ATOM 1386 C CD . LYS A 1 18 ? 4.805 14.451 19.363 1.00 0.00 ? 18 LYS A CD 3 ATOM 1387 C CE . LYS A 1 18 ? 3.370 14.394 19.874 1.00 0.00 ? 18 LYS A CE 3 ATOM 1388 N NZ . LYS A 1 18 ? 2.849 13.007 19.909 1.00 0.00 ? 18 LYS A NZ 3 ATOM 1389 H H . LYS A 1 18 ? 6.541 16.774 16.372 1.00 0.00 ? 18 LYS A H 3 ATOM 1390 H HA . LYS A 1 18 ? 6.631 18.102 18.907 1.00 0.00 ? 18 LYS A HA 3 ATOM 1391 H HB2 . LYS A 1 18 ? 7.006 15.203 17.989 1.00 0.00 ? 18 LYS A HB2 3 ATOM 1392 H HB3 . LYS A 1 18 ? 7.263 15.663 19.695 1.00 0.00 ? 18 LYS A HB3 3 ATOM 1393 H HG2 . LYS A 1 18 ? 5.017 16.546 19.912 1.00 0.00 ? 18 LYS A HG2 3 ATOM 1394 H HG3 . LYS A 1 18 ? 4.663 16.253 18.181 1.00 0.00 ? 18 LYS A HG3 3 ATOM 1395 H HD2 . LYS A 1 18 ? 4.919 13.863 18.425 1.00 0.00 ? 18 LYS A HD2 3 ATOM 1396 H HD3 . LYS A 1 18 ? 5.494 14.024 20.128 1.00 0.00 ? 18 LYS A HD3 3 ATOM 1397 H HE2 . LYS A 1 18 ? 3.296 14.821 20.897 1.00 0.00 ? 18 LYS A HE2 3 ATOM 1398 H HE3 . LYS A 1 18 ? 2.713 14.973 19.187 1.00 0.00 ? 18 LYS A HE3 3 ATOM 1399 H HZ1 . LYS A 1 18 ? 3.502 12.275 19.573 1.00 0.00 ? 18 LYS A HZ1 3 ATOM 1400 H HZ2 . LYS A 1 18 ? 2.477 12.759 20.844 1.00 0.00 ? 18 LYS A HZ2 3 ATOM 1401 H HZ3 . LYS A 1 18 ? 2.013 13.016 19.222 1.00 0.00 ? 18 LYS A HZ3 3 ATOM 1402 N N . ASP A 1 19 ? 9.403 17.183 17.405 1.00 0.00 ? 19 ASP A N 3 ATOM 1403 C CA . ASP A 1 19 ? 10.853 17.366 17.364 1.00 0.00 ? 19 ASP A CA 3 ATOM 1404 C C . ASP A 1 19 ? 11.223 18.699 16.730 1.00 0.00 ? 19 ASP A C 3 ATOM 1405 O O . ASP A 1 19 ? 12.394 19.046 16.592 1.00 0.00 ? 19 ASP A O 3 ATOM 1406 C CB . ASP A 1 19 ? 11.595 16.211 16.627 1.00 0.00 ? 19 ASP A CB 3 ATOM 1407 C CG . ASP A 1 19 ? 11.282 14.887 17.329 1.00 0.00 ? 19 ASP A CG 3 ATOM 1408 O OD1 . ASP A 1 19 ? 11.700 14.718 18.502 1.00 0.00 ? 19 ASP A OD1 3 ATOM 1409 O OD2 . ASP A 1 19 ? 10.613 14.022 16.705 1.00 0.00 ? 19 ASP A OD2 3 ATOM 1410 H H . ASP A 1 19 ? 9.020 16.641 16.661 1.00 0.00 ? 19 ASP A H 3 ATOM 1411 H HA . ASP A 1 19 ? 11.220 17.406 18.380 1.00 0.00 ? 19 ASP A HA 3 ATOM 1412 H HB2 . ASP A 1 19 ? 11.283 16.139 15.562 1.00 0.00 ? 19 ASP A HB2 3 ATOM 1413 H HB3 . ASP A 1 19 ? 12.699 16.352 16.667 1.00 0.00 ? 19 ASP A HB3 3 ATOM 1414 N N . ALA A 1 20 ? 10.178 19.498 16.379 1.00 0.00 ? 20 ALA A N 3 ATOM 1415 C CA . ALA A 1 20 ? 10.232 20.921 16.119 1.00 0.00 ? 20 ALA A CA 3 ATOM 1416 C C . ALA A 1 20 ? 9.969 21.687 17.407 1.00 0.00 ? 20 ALA A C 3 ATOM 1417 O O . ALA A 1 20 ? 10.800 22.515 17.779 1.00 0.00 ? 20 ALA A O 3 ATOM 1418 C CB . ALA A 1 20 ? 9.260 21.364 14.999 1.00 0.00 ? 20 ALA A CB 3 ATOM 1419 H H . ALA A 1 20 ? 9.256 19.125 16.466 1.00 0.00 ? 20 ALA A H 3 ATOM 1420 H HA . ALA A 1 20 ? 11.231 21.178 15.790 1.00 0.00 ? 20 ALA A HA 3 ATOM 1421 H HB1 . ALA A 1 20 ? 9.431 20.736 14.098 1.00 0.00 ? 20 ALA A HB1 3 ATOM 1422 H HB2 . ALA A 1 20 ? 8.190 21.249 15.282 1.00 0.00 ? 20 ALA A HB2 3 ATOM 1423 H HB3 . ALA A 1 20 ? 9.433 22.425 14.710 1.00 0.00 ? 20 ALA A HB3 3 ATOM 1424 N N . GLU A 1 21 ? 8.823 21.397 18.130 1.00 0.00 ? 21 GLU A N 3 ATOM 1425 C CA . GLU A 1 21 ? 8.356 22.016 19.389 1.00 0.00 ? 21 GLU A CA 3 ATOM 1426 C C . GLU A 1 21 ? 9.328 21.833 20.558 1.00 0.00 ? 21 GLU A C 3 ATOM 1427 O O . GLU A 1 21 ? 9.568 22.766 21.328 1.00 0.00 ? 21 GLU A O 3 ATOM 1428 C CB . GLU A 1 21 ? 6.935 21.516 19.898 1.00 0.00 ? 21 GLU A CB 3 ATOM 1429 C CG . GLU A 1 21 ? 5.661 22.006 19.142 1.00 0.00 ? 21 GLU A CG 3 ATOM 1430 C CD . GLU A 1 21 ? 4.382 21.460 19.828 1.00 0.00 ? 21 GLU A CD 3 ATOM 1431 O OE1 . GLU A 1 21 ? 4.245 21.724 21.054 1.00 0.00 ? 21 GLU A OE1 3 ATOM 1432 O OE2 . GLU A 1 21 ? 3.568 20.754 19.174 1.00 0.00 ? 21 GLU A OE2 3 ATOM 1433 H H . GLU A 1 21 ? 8.161 20.732 17.760 1.00 0.00 ? 21 GLU A H 3 ATOM 1434 H HA . GLU A 1 21 ? 8.289 23.079 19.206 1.00 0.00 ? 21 GLU A HA 3 ATOM 1435 H HB2 . GLU A 1 21 ? 6.910 20.404 19.910 1.00 0.00 ? 21 GLU A HB2 3 ATOM 1436 H HB3 . GLU A 1 21 ? 6.745 21.863 20.944 1.00 0.00 ? 21 GLU A HB3 3 ATOM 1437 H HG2 . GLU A 1 21 ? 5.610 23.114 19.176 1.00 0.00 ? 21 GLU A HG2 3 ATOM 1438 H HG3 . GLU A 1 21 ? 5.674 21.690 18.079 1.00 0.00 ? 21 GLU A HG3 3 ATOM 1439 N N . ASN A 1 22 ? 9.962 20.624 20.677 1.00 0.00 ? 22 ASN A N 3 ATOM 1440 C CA . ASN A 1 22 ? 10.905 20.215 21.736 1.00 0.00 ? 22 ASN A CA 3 ATOM 1441 C C . ASN A 1 22 ? 12.193 21.006 21.820 1.00 0.00 ? 22 ASN A C 3 ATOM 1442 O O . ASN A 1 22 ? 12.872 20.964 22.840 1.00 0.00 ? 22 ASN A O 3 ATOM 1443 C CB . ASN A 1 22 ? 11.272 18.688 21.678 1.00 0.00 ? 22 ASN A CB 3 ATOM 1444 C CG . ASN A 1 22 ? 10.341 17.902 22.606 1.00 0.00 ? 22 ASN A CG 3 ATOM 1445 O OD1 . ASN A 1 22 ? 10.403 17.969 23.829 1.00 0.00 ? 22 ASN A OD1 3 ATOM 1446 N ND2 . ASN A 1 22 ? 9.415 17.143 21.987 1.00 0.00 ? 22 ASN A ND2 3 ATOM 1447 H H . ASN A 1 22 ? 9.713 19.883 20.037 1.00 0.00 ? 22 ASN A H 3 ATOM 1448 H HA . ASN A 1 22 ? 10.434 20.425 22.688 1.00 0.00 ? 22 ASN A HA 3 ATOM 1449 H HB2 . ASN A 1 22 ? 11.226 18.311 20.627 1.00 0.00 ? 22 ASN A HB2 3 ATOM 1450 H HB3 . ASN A 1 22 ? 12.290 18.429 22.044 1.00 0.00 ? 22 ASN A HB3 3 ATOM 1451 H HD21 . ASN A 1 22 ? 9.262 17.290 20.999 1.00 0.00 ? 22 ASN A HD21 3 ATOM 1452 H HD22 . ASN A 1 22 ? 8.824 16.544 22.519 1.00 0.00 ? 22 ASN A HD22 3 ATOM 1453 N N . ALA A 1 23 ? 12.521 21.828 20.792 1.00 0.00 ? 23 ALA A N 3 ATOM 1454 C CA . ALA A 1 23 ? 13.651 22.747 20.810 1.00 0.00 ? 23 ALA A CA 3 ATOM 1455 C C . ALA A 1 23 ? 13.414 23.999 21.644 1.00 0.00 ? 23 ALA A C 3 ATOM 1456 O O . ALA A 1 23 ? 14.359 24.552 22.199 1.00 0.00 ? 23 ALA A O 3 ATOM 1457 C CB . ALA A 1 23 ? 14.064 23.157 19.373 1.00 0.00 ? 23 ALA A CB 3 ATOM 1458 H H . ALA A 1 23 ? 11.964 21.810 19.960 1.00 0.00 ? 23 ALA A H 3 ATOM 1459 H HA . ALA A 1 23 ? 14.490 22.238 21.269 1.00 0.00 ? 23 ALA A HA 3 ATOM 1460 H HB1 . ALA A 1 23 ? 14.281 22.245 18.777 1.00 0.00 ? 23 ALA A HB1 3 ATOM 1461 H HB2 . ALA A 1 23 ? 13.254 23.714 18.850 1.00 0.00 ? 23 ALA A HB2 3 ATOM 1462 H HB3 . ALA A 1 23 ? 14.984 23.786 19.371 1.00 0.00 ? 23 ALA A HB3 3 ATOM 1463 N N . SER A 1 24 ? 12.133 24.455 21.769 1.00 0.00 ? 24 SER A N 3 ATOM 1464 C CA . SER A 1 24 ? 11.706 25.585 22.582 1.00 0.00 ? 24 SER A CA 3 ATOM 1465 C C . SER A 1 24 ? 11.316 25.203 23.979 1.00 0.00 ? 24 SER A C 3 ATOM 1466 O O . SER A 1 24 ? 11.543 25.983 24.898 1.00 0.00 ? 24 SER A O 3 ATOM 1467 C CB . SER A 1 24 ? 10.540 26.390 21.930 1.00 0.00 ? 24 SER A CB 3 ATOM 1468 O OG . SER A 1 24 ? 10.900 26.750 20.601 1.00 0.00 ? 24 SER A OG 3 ATOM 1469 H H . SER A 1 24 ? 11.395 24.014 21.259 1.00 0.00 ? 24 SER A H 3 ATOM 1470 H HA . SER A 1 24 ? 12.564 26.217 22.746 1.00 0.00 ? 24 SER A HA 3 ATOM 1471 H HB2 . SER A 1 24 ? 9.607 25.785 21.877 1.00 0.00 ? 24 SER A HB2 3 ATOM 1472 H HB3 . SER A 1 24 ? 10.313 27.317 22.505 1.00 0.00 ? 24 SER A HB3 3 ATOM 1473 H HG . SER A 1 24 ? 10.226 27.358 20.279 1.00 0.00 ? 24 SER A HG 3 ATOM 1474 N N . LYS A 1 25 ? 10.780 23.965 24.166 1.00 0.00 ? 25 LYS A N 3 ATOM 1475 C CA . LYS A 1 25 ? 10.191 23.363 25.370 1.00 0.00 ? 25 LYS A CA 3 ATOM 1476 C C . LYS A 1 25 ? 11.106 23.230 26.582 1.00 0.00 ? 25 LYS A C 3 ATOM 1477 O O . LYS A 1 25 ? 10.672 22.899 27.680 1.00 0.00 ? 25 LYS A O 3 ATOM 1478 C CB . LYS A 1 25 ? 9.680 21.934 25.027 1.00 0.00 ? 25 LYS A CB 3 ATOM 1479 C CG . LYS A 1 25 ? 8.384 21.894 24.195 1.00 0.00 ? 25 LYS A CG 3 ATOM 1480 C CD . LYS A 1 25 ? 7.105 22.231 24.974 1.00 0.00 ? 25 LYS A CD 3 ATOM 1481 C CE . LYS A 1 25 ? 6.675 21.153 25.980 1.00 0.00 ? 25 LYS A CE 3 ATOM 1482 N NZ . LYS A 1 25 ? 5.612 21.672 26.865 1.00 0.00 ? 25 LYS A NZ 3 ATOM 1483 H H . LYS A 1 25 ? 10.667 23.409 23.347 1.00 0.00 ? 25 LYS A H 3 ATOM 1484 H HA . LYS A 1 25 ? 9.353 23.978 25.670 1.00 0.00 ? 25 LYS A HA 3 ATOM 1485 H HB2 . LYS A 1 25 ? 10.501 21.443 24.464 1.00 0.00 ? 25 LYS A HB2 3 ATOM 1486 H HB3 . LYS A 1 25 ? 9.489 21.309 25.922 1.00 0.00 ? 25 LYS A HB3 3 ATOM 1487 H HG2 . LYS A 1 25 ? 8.461 22.655 23.392 1.00 0.00 ? 25 LYS A HG2 3 ATOM 1488 H HG3 . LYS A 1 25 ? 8.269 20.897 23.716 1.00 0.00 ? 25 LYS A HG3 3 ATOM 1489 H HD2 . LYS A 1 25 ? 7.270 23.198 25.500 1.00 0.00 ? 25 LYS A HD2 3 ATOM 1490 H HD3 . LYS A 1 25 ? 6.283 22.380 24.238 1.00 0.00 ? 25 LYS A HD3 3 ATOM 1491 H HE2 . LYS A 1 25 ? 6.296 20.242 25.467 1.00 0.00 ? 25 LYS A HE2 3 ATOM 1492 H HE3 . LYS A 1 25 ? 7.517 20.871 26.648 1.00 0.00 ? 25 LYS A HE3 3 ATOM 1493 H HZ1 . LYS A 1 25 ? 5.998 22.542 27.382 1.00 0.00 ? 25 LYS A HZ1 3 ATOM 1494 H HZ2 . LYS A 1 25 ? 4.758 21.952 26.348 1.00 0.00 ? 25 LYS A HZ2 3 ATOM 1495 H HZ3 . LYS A 1 25 ? 5.411 21.007 27.636 1.00 0.00 ? 25 LYS A HZ3 3 ATOM 1496 N N . GLU A 1 26 ? 12.409 23.510 26.383 1.00 0.00 ? 26 GLU A N 3 ATOM 1497 C CA . GLU A 1 26 ? 13.453 23.625 27.395 1.00 0.00 ? 26 GLU A CA 3 ATOM 1498 C C . GLU A 1 26 ? 13.412 24.982 28.122 1.00 0.00 ? 26 GLU A C 3 ATOM 1499 O O . GLU A 1 26 ? 13.051 25.119 29.293 1.00 0.00 ? 26 GLU A O 3 ATOM 1500 C CB . GLU A 1 26 ? 14.830 23.420 26.668 1.00 0.00 ? 26 GLU A CB 3 ATOM 1501 C CG . GLU A 1 26 ? 15.844 22.484 27.342 1.00 0.00 ? 26 GLU A CG 3 ATOM 1502 C CD . GLU A 1 26 ? 16.621 23.178 28.459 1.00 0.00 ? 26 GLU A CD 3 ATOM 1503 O OE1 . GLU A 1 26 ? 17.169 24.278 28.173 1.00 0.00 ? 26 GLU A OE1 3 ATOM 1504 O OE2 . GLU A 1 26 ? 16.715 22.600 29.575 1.00 0.00 ? 26 GLU A OE2 3 ATOM 1505 H H . GLU A 1 26 ? 12.684 23.617 25.426 1.00 0.00 ? 26 GLU A H 3 ATOM 1506 H HA . GLU A 1 26 ? 13.314 22.840 28.128 1.00 0.00 ? 26 GLU A HA 3 ATOM 1507 H HB2 . GLU A 1 26 ? 14.604 22.863 25.735 1.00 0.00 ? 26 GLU A HB2 3 ATOM 1508 H HB3 . GLU A 1 26 ? 15.353 24.345 26.335 1.00 0.00 ? 26 GLU A HB3 3 ATOM 1509 H HG2 . GLU A 1 26 ? 15.311 21.585 27.707 1.00 0.00 ? 26 GLU A HG2 3 ATOM 1510 H HG3 . GLU A 1 26 ? 16.578 22.190 26.561 1.00 0.00 ? 26 GLU A HG3 3 ATOM 1511 N N . ALA A 1 27 ? 13.782 26.045 27.363 1.00 0.00 ? 27 ALA A N 3 ATOM 1512 C CA . ALA A 1 27 ? 14.078 27.387 27.830 1.00 0.00 ? 27 ALA A CA 3 ATOM 1513 C C . ALA A 1 27 ? 12.861 28.277 27.853 1.00 0.00 ? 27 ALA A C 3 ATOM 1514 O O . ALA A 1 27 ? 12.761 29.187 28.678 1.00 0.00 ? 27 ALA A O 3 ATOM 1515 C CB . ALA A 1 27 ? 15.172 28.045 26.952 1.00 0.00 ? 27 ALA A CB 3 ATOM 1516 H H . ALA A 1 27 ? 14.012 25.874 26.412 1.00 0.00 ? 27 ALA A H 3 ATOM 1517 H HA . ALA A 1 27 ? 14.457 27.332 28.843 1.00 0.00 ? 27 ALA A HA 3 ATOM 1518 H HB1 . ALA A 1 27 ? 16.085 27.411 26.979 1.00 0.00 ? 27 ALA A HB1 3 ATOM 1519 H HB2 . ALA A 1 27 ? 14.863 28.141 25.885 1.00 0.00 ? 27 ALA A HB2 3 ATOM 1520 H HB3 . ALA A 1 27 ? 15.460 29.053 27.330 1.00 0.00 ? 27 ALA A HB3 3 ATOM 1521 N N . GLU A 1 28 ? 11.857 28.000 26.978 1.00 0.00 ? 28 GLU A N 3 ATOM 1522 C CA . GLU A 1 28 ? 10.639 28.792 26.829 1.00 0.00 ? 28 GLU A CA 3 ATOM 1523 C C . GLU A 1 28 ? 9.574 28.274 27.766 1.00 0.00 ? 28 GLU A C 3 ATOM 1524 O O . GLU A 1 28 ? 8.613 28.968 28.077 1.00 0.00 ? 28 GLU A O 3 ATOM 1525 C CB . GLU A 1 28 ? 10.149 28.812 25.358 1.00 0.00 ? 28 GLU A CB 3 ATOM 1526 C CG . GLU A 1 28 ? 8.930 29.713 25.018 1.00 0.00 ? 28 GLU A CG 3 ATOM 1527 C CD . GLU A 1 28 ? 7.721 28.834 24.665 1.00 0.00 ? 28 GLU A CD 3 ATOM 1528 O OE1 . GLU A 1 28 ? 7.916 27.889 23.849 1.00 0.00 ? 28 GLU A OE1 3 ATOM 1529 O OE2 . GLU A 1 28 ? 6.596 29.106 25.178 1.00 0.00 ? 28 GLU A OE2 3 ATOM 1530 H H . GLU A 1 28 ? 11.919 27.208 26.358 1.00 0.00 ? 28 GLU A H 3 ATOM 1531 H HA . GLU A 1 28 ? 10.831 29.821 27.114 1.00 0.00 ? 28 GLU A HA 3 ATOM 1532 H HB2 . GLU A 1 28 ? 10.992 29.183 24.739 1.00 0.00 ? 28 GLU A HB2 3 ATOM 1533 H HB3 . GLU A 1 28 ? 9.964 27.770 25.017 1.00 0.00 ? 28 GLU A HB3 3 ATOM 1534 H HG2 . GLU A 1 28 ? 8.670 30.396 25.856 1.00 0.00 ? 28 GLU A HG2 3 ATOM 1535 H HG3 . GLU A 1 28 ? 9.162 30.328 24.122 1.00 0.00 ? 28 GLU A HG3 3 ATOM 1536 N N . GLU A 1 29 ? 9.790 27.061 28.344 1.00 0.00 ? 29 GLU A N 3 ATOM 1537 C CA . GLU A 1 29 ? 8.939 26.494 29.381 1.00 0.00 ? 29 GLU A CA 3 ATOM 1538 C C . GLU A 1 29 ? 9.424 26.917 30.756 1.00 0.00 ? 29 GLU A C 3 ATOM 1539 O O . GLU A 1 29 ? 8.650 27.098 31.695 1.00 0.00 ? 29 GLU A O 3 ATOM 1540 C CB . GLU A 1 29 ? 8.872 24.961 29.238 1.00 0.00 ? 29 GLU A CB 3 ATOM 1541 C CG . GLU A 1 29 ? 7.694 24.303 29.985 1.00 0.00 ? 29 GLU A CG 3 ATOM 1542 C CD . GLU A 1 29 ? 7.021 23.318 29.042 1.00 0.00 ? 29 GLU A CD 3 ATOM 1543 O OE1 . GLU A 1 29 ? 6.424 23.787 28.036 1.00 0.00 ? 29 GLU A OE1 3 ATOM 1544 O OE2 . GLU A 1 29 ? 7.078 22.077 29.223 1.00 0.00 ? 29 GLU A OE2 3 ATOM 1545 H H . GLU A 1 29 ? 10.584 26.523 28.068 1.00 0.00 ? 29 GLU A H 3 ATOM 1546 H HA . GLU A 1 29 ? 7.932 26.880 29.275 1.00 0.00 ? 29 GLU A HA 3 ATOM 1547 H HB2 . GLU A 1 29 ? 8.742 24.787 28.145 1.00 0.00 ? 29 GLU A HB2 3 ATOM 1548 H HB3 . GLU A 1 29 ? 9.828 24.457 29.513 1.00 0.00 ? 29 GLU A HB3 3 ATOM 1549 H HG2 . GLU A 1 29 ? 8.050 23.783 30.900 1.00 0.00 ? 29 GLU A HG2 3 ATOM 1550 H HG3 . GLU A 1 29 ? 6.942 25.068 30.278 1.00 0.00 ? 29 GLU A HG3 3 ATOM 1551 N N . ALA A 1 30 ? 10.750 27.198 30.853 1.00 0.00 ? 30 ALA A N 3 ATOM 1552 C CA . ALA A 1 30 ? 11.425 27.722 32.032 1.00 0.00 ? 30 ALA A CA 3 ATOM 1553 C C . ALA A 1 30 ? 11.229 29.225 32.147 1.00 0.00 ? 30 ALA A C 3 ATOM 1554 O O . ALA A 1 30 ? 10.874 29.725 33.211 1.00 0.00 ? 30 ALA A O 3 ATOM 1555 C CB . ALA A 1 30 ? 12.931 27.379 32.028 1.00 0.00 ? 30 ALA A CB 3 ATOM 1556 H H . ALA A 1 30 ? 11.328 27.040 30.056 1.00 0.00 ? 30 ALA A H 3 ATOM 1557 H HA . ALA A 1 30 ? 10.983 27.263 32.910 1.00 0.00 ? 30 ALA A HA 3 ATOM 1558 H HB1 . ALA A 1 30 ? 13.060 26.279 31.931 1.00 0.00 ? 30 ALA A HB1 3 ATOM 1559 H HB2 . ALA A 1 30 ? 13.470 27.850 31.176 1.00 0.00 ? 30 ALA A HB2 3 ATOM 1560 H HB3 . ALA A 1 30 ? 13.427 27.694 32.972 1.00 0.00 ? 30 ALA A HB3 3 ATOM 1561 N N . ALA A 1 31 ? 11.336 29.971 31.006 1.00 0.00 ? 31 ALA A N 3 ATOM 1562 C CA . ALA A 1 31 ? 11.029 31.386 30.874 1.00 0.00 ? 31 ALA A CA 3 ATOM 1563 C C . ALA A 1 31 ? 9.566 31.623 30.543 1.00 0.00 ? 31 ALA A C 3 ATOM 1564 O O . ALA A 1 31 ? 9.228 32.516 29.767 1.00 0.00 ? 31 ALA A O 3 ATOM 1565 C CB . ALA A 1 31 ? 11.919 32.078 29.798 1.00 0.00 ? 31 ALA A CB 3 ATOM 1566 H H . ALA A 1 31 ? 11.661 29.561 30.145 1.00 0.00 ? 31 ALA A H 3 ATOM 1567 H HA . ALA A 1 31 ? 11.224 31.876 31.813 1.00 0.00 ? 31 ALA A HA 3 ATOM 1568 H HB1 . ALA A 1 31 ? 12.989 31.948 30.066 1.00 0.00 ? 31 ALA A HB1 3 ATOM 1569 H HB2 . ALA A 1 31 ? 11.767 31.635 28.788 1.00 0.00 ? 31 ALA A HB2 3 ATOM 1570 H HB3 . ALA A 1 31 ? 11.728 33.173 29.728 1.00 0.00 ? 31 ALA A HB3 3 ATOM 1571 N N . LYS A 1 32 ? 8.666 30.844 31.194 1.00 0.00 ? 32 LYS A N 3 ATOM 1572 C CA . LYS A 1 32 ? 7.243 31.028 31.206 1.00 0.00 ? 32 LYS A CA 3 ATOM 1573 C C . LYS A 1 32 ? 6.847 30.841 32.626 1.00 0.00 ? 32 LYS A C 3 ATOM 1574 O O . LYS A 1 32 ? 6.830 31.809 33.391 1.00 0.00 ? 32 LYS A O 3 ATOM 1575 C CB . LYS A 1 32 ? 6.448 30.096 30.252 1.00 0.00 ? 32 LYS A CB 3 ATOM 1576 C CG . LYS A 1 32 ? 4.907 30.287 30.222 1.00 0.00 ? 32 LYS A CG 3 ATOM 1577 C CD . LYS A 1 32 ? 4.434 31.672 29.726 1.00 0.00 ? 32 LYS A CD 3 ATOM 1578 C CE . LYS A 1 32 ? 3.102 31.667 28.950 1.00 0.00 ? 32 LYS A CE 3 ATOM 1579 N NZ . LYS A 1 32 ? 3.211 30.856 27.695 1.00 0.00 ? 32 LYS A NZ 3 ATOM 1580 H H . LYS A 1 32 ? 9.009 30.108 31.776 1.00 0.00 ? 32 LYS A H 3 ATOM 1581 H HA . LYS A 1 32 ? 7.018 32.050 30.988 1.00 0.00 ? 32 LYS A HA 3 ATOM 1582 H HB2 . LYS A 1 32 ? 6.821 30.291 29.222 1.00 0.00 ? 32 LYS A HB2 3 ATOM 1583 H HB3 . LYS A 1 32 ? 6.676 29.025 30.459 1.00 0.00 ? 32 LYS A HB3 3 ATOM 1584 H HG2 . LYS A 1 32 ? 4.546 29.490 29.539 1.00 0.00 ? 32 LYS A HG2 3 ATOM 1585 H HG3 . LYS A 1 32 ? 4.419 30.095 31.206 1.00 0.00 ? 32 LYS A HG3 3 ATOM 1586 H HD2 . LYS A 1 32 ? 4.318 32.349 30.608 1.00 0.00 ? 32 LYS A HD2 3 ATOM 1587 H HD3 . LYS A 1 32 ? 5.225 32.103 29.074 1.00 0.00 ? 32 LYS A HD3 3 ATOM 1588 H HE2 . LYS A 1 32 ? 2.271 31.257 29.568 1.00 0.00 ? 32 LYS A HE2 3 ATOM 1589 H HE3 . LYS A 1 32 ? 2.846 32.710 28.663 1.00 0.00 ? 32 LYS A HE3 3 ATOM 1590 H HZ1 . LYS A 1 32 ? 4.174 30.908 27.299 1.00 0.00 ? 32 LYS A HZ1 3 ATOM 1591 H HZ2 . LYS A 1 32 ? 3.006 29.856 27.897 1.00 0.00 ? 32 LYS A HZ2 3 ATOM 1592 H HZ3 . LYS A 1 32 ? 2.536 31.204 26.986 1.00 0.00 ? 32 LYS A HZ3 3 ATOM 1593 N N . GLU A 1 33 ? 6.562 29.577 33.055 1.00 0.00 ? 33 GLU A N 3 ATOM 1594 C CA . GLU A 1 33 ? 5.758 29.319 34.244 1.00 0.00 ? 33 GLU A CA 3 ATOM 1595 C C . GLU A 1 33 ? 6.577 29.457 35.514 1.00 0.00 ? 33 GLU A C 3 ATOM 1596 O O . GLU A 1 33 ? 6.065 29.848 36.549 1.00 0.00 ? 33 GLU A O 3 ATOM 1597 C CB . GLU A 1 33 ? 5.033 27.940 34.186 1.00 0.00 ? 33 GLU A CB 3 ATOM 1598 C CG . GLU A 1 33 ? 3.788 27.845 35.103 1.00 0.00 ? 33 GLU A CG 3 ATOM 1599 C CD . GLU A 1 33 ? 3.382 26.385 35.321 1.00 0.00 ? 33 GLU A CD 3 ATOM 1600 O OE1 . GLU A 1 33 ? 4.354 25.612 35.527 1.00 0.00 ? 33 GLU A OE1 3 ATOM 1601 O OE2 . GLU A 1 33 ? 2.179 26.007 35.306 1.00 0.00 ? 33 GLU A OE2 3 ATOM 1602 H H . GLU A 1 33 ? 6.740 28.770 32.490 1.00 0.00 ? 33 GLU A H 3 ATOM 1603 H HA . GLU A 1 33 ? 4.972 30.063 34.288 1.00 0.00 ? 33 GLU A HA 3 ATOM 1604 H HB2 . GLU A 1 33 ? 4.642 27.774 33.159 1.00 0.00 ? 33 GLU A HB2 3 ATOM 1605 H HB3 . GLU A 1 33 ? 5.752 27.110 34.387 1.00 0.00 ? 33 GLU A HB3 3 ATOM 1606 H HG2 . GLU A 1 33 ? 4.058 28.246 36.101 1.00 0.00 ? 33 GLU A HG2 3 ATOM 1607 H HG3 . GLU A 1 33 ? 2.950 28.439 34.682 1.00 0.00 ? 33 GLU A HG3 3 ATOM 1608 N N . ALA A 1 34 ? 7.913 29.243 35.419 1.00 0.00 ? 34 ALA A N 3 ATOM 1609 C CA . ALA A 1 34 ? 8.863 29.421 36.510 1.00 0.00 ? 34 ALA A CA 3 ATOM 1610 C C . ALA A 1 34 ? 9.460 30.821 36.551 1.00 0.00 ? 34 ALA A C 3 ATOM 1611 O O . ALA A 1 34 ? 10.463 31.052 37.227 1.00 0.00 ? 34 ALA A O 3 ATOM 1612 C CB . ALA A 1 34 ? 9.988 28.350 36.457 1.00 0.00 ? 34 ALA A CB 3 ATOM 1613 H H . ALA A 1 34 ? 8.295 29.078 34.508 1.00 0.00 ? 34 ALA A H 3 ATOM 1614 H HA . ALA A 1 34 ? 8.328 29.298 37.453 1.00 0.00 ? 34 ALA A HA 3 ATOM 1615 H HB1 . ALA A 1 34 ? 9.529 27.338 36.453 1.00 0.00 ? 34 ALA A HB1 3 ATOM 1616 H HB2 . ALA A 1 34 ? 10.617 28.443 35.541 1.00 0.00 ? 34 ALA A HB2 3 ATOM 1617 H HB3 . ALA A 1 34 ? 10.650 28.411 37.349 1.00 0.00 ? 34 ALA A HB3 3 ATOM 1618 N N . VAL A 1 35 ? 8.847 31.785 35.812 1.00 0.00 ? 35 VAL A N 3 ATOM 1619 C CA . VAL A 1 35 ? 9.225 33.184 35.758 1.00 0.00 ? 35 VAL A CA 3 ATOM 1620 C C . VAL A 1 35 ? 8.025 34.006 36.160 1.00 0.00 ? 35 VAL A C 3 ATOM 1621 O O . VAL A 1 35 ? 8.068 34.689 37.177 1.00 0.00 ? 35 VAL A O 3 ATOM 1622 C CB . VAL A 1 35 ? 9.779 33.618 34.391 1.00 0.00 ? 35 VAL A CB 3 ATOM 1623 C CG1 . VAL A 1 35 ? 9.902 35.159 34.215 1.00 0.00 ? 35 VAL A CG1 3 ATOM 1624 C CG2 . VAL A 1 35 ? 11.179 32.986 34.260 1.00 0.00 ? 35 VAL A CG2 3 ATOM 1625 H H . VAL A 1 35 ? 8.048 31.535 35.265 1.00 0.00 ? 35 VAL A H 3 ATOM 1626 H HA . VAL A 1 35 ? 9.983 33.393 36.505 1.00 0.00 ? 35 VAL A HA 3 ATOM 1627 H HB . VAL A 1 35 ? 9.131 33.225 33.574 1.00 0.00 ? 35 VAL A HB 3 ATOM 1628 H HG11 . VAL A 1 35 ? 10.476 35.599 35.058 1.00 0.00 ? 35 VAL A HG11 3 ATOM 1629 H HG12 . VAL A 1 35 ? 10.441 35.393 33.272 1.00 0.00 ? 35 VAL A HG12 3 ATOM 1630 H HG13 . VAL A 1 35 ? 8.918 35.670 34.159 1.00 0.00 ? 35 VAL A HG13 3 ATOM 1631 H HG21 . VAL A 1 35 ? 11.825 33.284 35.112 1.00 0.00 ? 35 VAL A HG21 3 ATOM 1632 H HG22 . VAL A 1 35 ? 11.122 31.879 34.250 1.00 0.00 ? 35 VAL A HG22 3 ATOM 1633 H HG23 . VAL A 1 35 ? 11.672 33.326 33.325 1.00 0.00 ? 35 VAL A HG23 3 ATOM 1634 N N . ASN A 1 36 ? 6.944 34.039 35.339 1.00 0.00 ? 36 ASN A N 3 ATOM 1635 C CA . ASN A 1 36 ? 5.972 35.139 35.362 1.00 0.00 ? 36 ASN A CA 3 ATOM 1636 C C . ASN A 1 36 ? 4.692 34.738 36.057 1.00 0.00 ? 36 ASN A C 3 ATOM 1637 O O . ASN A 1 36 ? 4.041 35.568 36.708 1.00 0.00 ? 36 ASN A O 3 ATOM 1638 C CB . ASN A 1 36 ? 5.744 35.766 33.947 1.00 0.00 ? 36 ASN A CB 3 ATOM 1639 C CG . ASN A 1 36 ? 5.553 34.676 32.904 1.00 0.00 ? 36 ASN A CG 3 ATOM 1640 O OD1 . ASN A 1 36 ? 4.566 33.960 32.991 1.00 0.00 ? 36 ASN A OD1 3 ATOM 1641 N ND2 . ASN A 1 36 ? 6.467 34.474 31.931 1.00 0.00 ? 36 ASN A ND2 3 ATOM 1642 H H . ASN A 1 36 ? 6.875 33.395 34.569 1.00 0.00 ? 36 ASN A H 3 ATOM 1643 H HA . ASN A 1 36 ? 6.341 35.959 35.957 1.00 0.00 ? 36 ASN A HA 3 ATOM 1644 H HB2 . ASN A 1 36 ? 4.866 36.449 33.918 1.00 0.00 ? 36 ASN A HB2 3 ATOM 1645 H HB3 . ASN A 1 36 ? 6.639 36.368 33.689 1.00 0.00 ? 36 ASN A HB3 3 ATOM 1646 H HD21 . ASN A 1 36 ? 7.308 35.010 31.882 1.00 0.00 ? 36 ASN A HD21 3 ATOM 1647 H HD22 . ASN A 1 36 ? 6.348 33.636 31.409 1.00 0.00 ? 36 ASN A HD22 3 ATOM 1648 N N . LEU A 1 37 ? 4.323 33.432 35.907 1.00 0.00 ? 37 LEU A N 3 ATOM 1649 C CA . LEU A 1 37 ? 3.278 32.703 36.615 1.00 0.00 ? 37 LEU A CA 3 ATOM 1650 C C . LEU A 1 37 ? 1.901 33.046 36.054 1.00 0.00 ? 37 LEU A C 3 ATOM 1651 O O . LEU A 1 37 ? 0.886 33.023 36.745 1.00 0.00 ? 37 LEU A O 3 ATOM 1652 C CB . LEU A 1 37 ? 3.381 32.832 38.178 1.00 0.00 ? 37 LEU A CB 3 ATOM 1653 C CG . LEU A 1 37 ? 3.145 31.545 39.013 1.00 0.00 ? 37 LEU A CG 3 ATOM 1654 C CD1 . LEU A 1 37 ? 1.679 31.075 39.059 1.00 0.00 ? 37 LEU A CD1 3 ATOM 1655 C CD2 . LEU A 1 37 ? 4.077 30.388 38.648 1.00 0.00 ? 37 LEU A CD2 3 ATOM 1656 H H . LEU A 1 37 ? 4.834 32.853 35.269 1.00 0.00 ? 37 LEU A H 3 ATOM 1657 H HA . LEU A 1 37 ? 3.461 31.672 36.357 1.00 0.00 ? 37 LEU A HA 3 ATOM 1658 H HB2 . LEU A 1 37 ? 4.427 33.123 38.416 1.00 0.00 ? 37 LEU A HB2 3 ATOM 1659 H HB3 . LEU A 1 37 ? 2.737 33.656 38.560 1.00 0.00 ? 37 LEU A HB3 3 ATOM 1660 H HG . LEU A 1 37 ? 3.461 31.806 40.042 1.00 0.00 ? 37 LEU A HG 3 ATOM 1661 H HD11 . LEU A 1 37 ? 1.004 31.927 39.278 1.00 0.00 ? 37 LEU A HD11 3 ATOM 1662 H HD12 . LEU A 1 37 ? 1.386 30.650 38.073 1.00 0.00 ? 37 LEU A HD12 3 ATOM 1663 H HD13 . LEU A 1 37 ? 1.546 30.287 39.831 1.00 0.00 ? 37 LEU A HD13 3 ATOM 1664 H HD21 . LEU A 1 37 ? 5.134 30.733 38.640 1.00 0.00 ? 37 LEU A HD21 3 ATOM 1665 H HD22 . LEU A 1 37 ? 3.989 29.557 39.382 1.00 0.00 ? 37 LEU A HD22 3 ATOM 1666 H HD23 . LEU A 1 37 ? 3.835 29.986 37.640 1.00 0.00 ? 37 LEU A HD23 3 ATOM 1667 N N . LYS A 1 38 ? 1.900 33.472 34.772 1.00 0.00 ? 38 LYS A N 3 ATOM 1668 C CA . LYS A 1 38 ? 0.788 34.017 34.037 1.00 0.00 ? 38 LYS A CA 3 ATOM 1669 C C . LYS A 1 38 ? 0.890 33.390 32.630 1.00 0.00 ? 38 LYS A C 3 ATOM 1670 O O . LYS A 1 38 ? -0.097 33.514 31.853 1.00 0.00 ? 38 LYS A O 3 ATOM 1671 C CB . LYS A 1 38 ? 0.928 35.553 33.868 1.00 0.00 ? 38 LYS A CB 3 ATOM 1672 C CG . LYS A 1 38 ? 0.791 36.349 35.180 1.00 0.00 ? 38 LYS A CG 3 ATOM 1673 C CD . LYS A 1 38 ? 1.653 37.620 35.225 1.00 0.00 ? 38 LYS A CD 3 ATOM 1674 C CE . LYS A 1 38 ? 1.740 38.285 36.612 1.00 0.00 ? 38 LYS A CE 3 ATOM 1675 N NZ . LYS A 1 38 ? 2.181 37.330 37.671 1.00 0.00 ? 38 LYS A NZ 3 ATOM 1676 O OXT . LYS A 1 38 ? 1.976 32.842 32.298 1.00 0.00 ? 38 LYS A OXT 3 ATOM 1677 H H . LYS A 1 38 ? 2.728 33.437 34.203 1.00 0.00 ? 38 LYS A H 3 ATOM 1678 H HA . LYS A 1 38 ? -0.159 33.740 34.483 1.00 0.00 ? 38 LYS A HA 3 ATOM 1679 H HB2 . LYS A 1 38 ? 1.938 35.734 33.435 1.00 0.00 ? 38 LYS A HB2 3 ATOM 1680 H HB3 . LYS A 1 38 ? 0.173 35.919 33.136 1.00 0.00 ? 38 LYS A HB3 3 ATOM 1681 H HG2 . LYS A 1 38 ? -0.280 36.581 35.355 1.00 0.00 ? 38 LYS A HG2 3 ATOM 1682 H HG3 . LYS A 1 38 ? 1.119 35.684 35.999 1.00 0.00 ? 38 LYS A HG3 3 ATOM 1683 H HD2 . LYS A 1 38 ? 2.682 37.349 34.902 1.00 0.00 ? 38 LYS A HD2 3 ATOM 1684 H HD3 . LYS A 1 38 ? 1.251 38.355 34.493 1.00 0.00 ? 38 LYS A HD3 3 ATOM 1685 H HE2 . LYS A 1 38 ? 2.469 39.121 36.573 1.00 0.00 ? 38 LYS A HE2 3 ATOM 1686 H HE3 . LYS A 1 38 ? 0.745 38.684 36.909 1.00 0.00 ? 38 LYS A HE3 3 ATOM 1687 H HZ1 . LYS A 1 38 ? 2.931 36.682 37.293 1.00 0.00 ? 38 LYS A HZ1 3 ATOM 1688 H HZ2 . LYS A 1 38 ? 2.550 37.842 38.498 1.00 0.00 ? 38 LYS A HZ2 3 ATOM 1689 H HZ3 . LYS A 1 38 ? 1.361 36.756 37.954 1.00 0.00 ? 38 LYS A HZ3 3 ATOM 1690 N N . GLU A 1 1 ? 1.296 3.737 20.815 1.00 0.00 ? 1 GLU A N 4 ATOM 1691 C CA . GLU A 1 1 ? -0.102 3.263 21.035 1.00 0.00 ? 1 GLU A CA 4 ATOM 1692 C C . GLU A 1 1 ? -0.623 3.937 22.273 1.00 0.00 ? 1 GLU A C 4 ATOM 1693 O O . GLU A 1 1 ? -1.180 5.025 22.159 1.00 0.00 ? 1 GLU A O 4 ATOM 1694 C CB . GLU A 1 1 ? -0.164 1.696 21.061 1.00 0.00 ? 1 GLU A CB 4 ATOM 1695 C CG . GLU A 1 1 ? 0.018 1.081 19.649 1.00 0.00 ? 1 GLU A CG 4 ATOM 1696 C CD . GLU A 1 1 ? 0.281 -0.445 19.656 1.00 0.00 ? 1 GLU A CD 4 ATOM 1697 O OE1 . GLU A 1 1 ? 1.354 -0.908 20.134 1.00 0.00 ? 1 GLU A OE1 4 ATOM 1698 O OE2 . GLU A 1 1 ? -0.584 -1.172 19.108 1.00 0.00 ? 1 GLU A OE2 4 ATOM 1699 H H1 . GLU A 1 1 ? 1.311 4.779 20.744 1.00 0.00 ? 1 GLU A H1 4 ATOM 1700 H H2 . GLU A 1 1 ? 1.910 3.474 21.622 1.00 0.00 ? 1 GLU A H2 4 ATOM 1701 H H3 . GLU A 1 1 ? 1.685 3.343 19.944 1.00 0.00 ? 1 GLU A H3 4 ATOM 1702 H HA . GLU A 1 1 ? -0.698 3.631 20.207 1.00 0.00 ? 1 GLU A HA 4 ATOM 1703 H HB2 . GLU A 1 1 ? 0.604 1.272 21.744 1.00 0.00 ? 1 GLU A HB2 4 ATOM 1704 H HB3 . GLU A 1 1 ? -1.161 1.349 21.422 1.00 0.00 ? 1 GLU A HB3 4 ATOM 1705 H HG2 . GLU A 1 1 ? -0.916 1.269 19.075 1.00 0.00 ? 1 GLU A HG2 4 ATOM 1706 H HG3 . GLU A 1 1 ? 0.849 1.578 19.108 1.00 0.00 ? 1 GLU A HG3 4 ATOM 1707 N N . ALA A 1 2 ? -0.380 3.348 23.478 1.00 0.00 ? 2 ALA A N 4 ATOM 1708 C CA . ALA A 1 2 ? -0.700 3.936 24.777 1.00 0.00 ? 2 ALA A CA 4 ATOM 1709 C C . ALA A 1 2 ? 0.492 4.682 25.357 1.00 0.00 ? 2 ALA A C 4 ATOM 1710 O O . ALA A 1 2 ? 0.348 5.497 26.262 1.00 0.00 ? 2 ALA A O 4 ATOM 1711 C CB . ALA A 1 2 ? -1.221 2.890 25.796 1.00 0.00 ? 2 ALA A CB 4 ATOM 1712 H H . ALA A 1 2 ? 0.021 2.439 23.537 1.00 0.00 ? 2 ALA A H 4 ATOM 1713 H HA . ALA A 1 2 ? -1.495 4.662 24.662 1.00 0.00 ? 2 ALA A HA 4 ATOM 1714 H HB1 . ALA A 1 2 ? -2.124 2.395 25.373 1.00 0.00 ? 2 ALA A HB1 4 ATOM 1715 H HB2 . ALA A 1 2 ? -0.473 2.098 26.017 1.00 0.00 ? 2 ALA A HB2 4 ATOM 1716 H HB3 . ALA A 1 2 ? -1.527 3.369 26.757 1.00 0.00 ? 2 ALA A HB3 4 ATOM 1717 N N . TYR A 1 3 ? 1.695 4.455 24.783 1.00 0.00 ? 3 TYR A N 4 ATOM 1718 C CA . TYR A 1 3 ? 2.834 5.333 24.894 1.00 0.00 ? 3 TYR A CA 4 ATOM 1719 C C . TYR A 1 3 ? 3.482 5.022 23.567 1.00 0.00 ? 3 TYR A C 4 ATOM 1720 O O . TYR A 1 3 ? 3.144 3.978 22.994 1.00 0.00 ? 3 TYR A O 4 ATOM 1721 C CB . TYR A 1 3 ? 3.753 5.134 26.157 1.00 0.00 ? 3 TYR A CB 4 ATOM 1722 C CG . TYR A 1 3 ? 4.432 3.788 26.239 1.00 0.00 ? 3 TYR A CG 4 ATOM 1723 C CD1 . TYR A 1 3 ? 3.694 2.628 26.530 1.00 0.00 ? 3 TYR A CD1 4 ATOM 1724 C CD2 . TYR A 1 3 ? 5.801 3.670 25.935 1.00 0.00 ? 3 TYR A CD2 4 ATOM 1725 C CE1 . TYR A 1 3 ? 4.302 1.368 26.483 1.00 0.00 ? 3 TYR A CE1 4 ATOM 1726 C CE2 . TYR A 1 3 ? 6.418 2.416 25.886 1.00 0.00 ? 3 TYR A CE2 4 ATOM 1727 C CZ . TYR A 1 3 ? 5.658 1.265 26.145 1.00 0.00 ? 3 TYR A CZ 4 ATOM 1728 O OH . TYR A 1 3 ? 6.247 -0.006 26.041 1.00 0.00 ? 3 TYR A OH 4 ATOM 1729 H H . TYR A 1 3 ? 1.849 3.757 24.083 1.00 0.00 ? 3 TYR A H 4 ATOM 1730 H HA . TYR A 1 3 ? 2.495 6.359 24.863 1.00 0.00 ? 3 TYR A HA 4 ATOM 1731 H HB2 . TYR A 1 3 ? 4.541 5.914 26.186 1.00 0.00 ? 3 TYR A HB2 4 ATOM 1732 H HB3 . TYR A 1 3 ? 3.147 5.253 27.080 1.00 0.00 ? 3 TYR A HB3 4 ATOM 1733 H HD1 . TYR A 1 3 ? 2.640 2.695 26.756 1.00 0.00 ? 3 TYR A HD1 4 ATOM 1734 H HD2 . TYR A 1 3 ? 6.386 4.548 25.714 1.00 0.00 ? 3 TYR A HD2 4 ATOM 1735 H HE1 . TYR A 1 3 ? 3.719 0.482 26.687 1.00 0.00 ? 3 TYR A HE1 4 ATOM 1736 H HE2 . TYR A 1 3 ? 7.463 2.358 25.621 1.00 0.00 ? 3 TYR A HE2 4 ATOM 1737 H HH . TYR A 1 3 ? 7.201 0.109 26.060 1.00 0.00 ? 3 TYR A HH 4 ATOM 1738 N N . LYS A 1 4 ? 4.368 5.924 23.047 1.00 0.00 ? 4 LYS A N 4 ATOM 1739 C CA . LYS A 1 4 ? 5.263 5.852 21.879 1.00 0.00 ? 4 LYS A CA 4 ATOM 1740 C C . LYS A 1 4 ? 4.739 5.126 20.634 1.00 0.00 ? 4 LYS A C 4 ATOM 1741 O O . LYS A 1 4 ? 3.580 5.309 20.267 1.00 0.00 ? 4 LYS A O 4 ATOM 1742 C CB . LYS A 1 4 ? 6.706 5.412 22.289 1.00 0.00 ? 4 LYS A CB 4 ATOM 1743 C CG . LYS A 1 4 ? 7.436 6.419 23.213 1.00 0.00 ? 4 LYS A CG 4 ATOM 1744 C CD . LYS A 1 4 ? 8.326 7.472 22.503 1.00 0.00 ? 4 LYS A CD 4 ATOM 1745 C CE . LYS A 1 4 ? 7.592 8.648 21.805 1.00 0.00 ? 4 LYS A CE 4 ATOM 1746 N NZ . LYS A 1 4 ? 8.529 9.684 21.256 1.00 0.00 ? 4 LYS A NZ 4 ATOM 1747 H H . LYS A 1 4 ? 4.478 6.784 23.534 1.00 0.00 ? 4 LYS A H 4 ATOM 1748 H HA . LYS A 1 4 ? 5.353 6.876 21.555 1.00 0.00 ? 4 LYS A HA 4 ATOM 1749 H HB2 . LYS A 1 4 ? 6.636 4.440 22.834 1.00 0.00 ? 4 LYS A HB2 4 ATOM 1750 H HB3 . LYS A 1 4 ? 7.405 5.282 21.434 1.00 0.00 ? 4 LYS A HB3 4 ATOM 1751 H HG2 . LYS A 1 4 ? 6.735 6.912 23.922 1.00 0.00 ? 4 LYS A HG2 4 ATOM 1752 H HG3 . LYS A 1 4 ? 8.139 5.818 23.830 1.00 0.00 ? 4 LYS A HG3 4 ATOM 1753 H HD2 . LYS A 1 4 ? 8.985 7.884 23.298 1.00 0.00 ? 4 LYS A HD2 4 ATOM 1754 H HD3 . LYS A 1 4 ? 8.978 6.937 21.778 1.00 0.00 ? 4 LYS A HD3 4 ATOM 1755 H HE2 . LYS A 1 4 ? 6.978 8.280 20.957 1.00 0.00 ? 4 LYS A HE2 4 ATOM 1756 H HE3 . LYS A 1 4 ? 6.929 9.164 22.530 1.00 0.00 ? 4 LYS A HE3 4 ATOM 1757 H HZ1 . LYS A 1 4 ? 9.196 9.988 21.995 1.00 0.00 ? 4 LYS A HZ1 4 ATOM 1758 H HZ2 . LYS A 1 4 ? 9.070 9.323 20.443 1.00 0.00 ? 4 LYS A HZ2 4 ATOM 1759 H HZ3 . LYS A 1 4 ? 8.001 10.524 20.927 1.00 0.00 ? 4 LYS A HZ3 4 ATOM 1760 N N . LYS A 1 5 ? 5.574 4.259 20.001 1.00 0.00 ? 5 LYS A N 4 ATOM 1761 C CA . LYS A 1 5 ? 5.317 3.427 18.826 1.00 0.00 ? 5 LYS A CA 4 ATOM 1762 C C . LYS A 1 5 ? 4.959 4.136 17.508 1.00 0.00 ? 5 LYS A C 4 ATOM 1763 O O . LYS A 1 5 ? 3.895 4.730 17.334 1.00 0.00 ? 5 LYS A O 4 ATOM 1764 C CB . LYS A 1 5 ? 4.410 2.186 19.088 1.00 0.00 ? 5 LYS A CB 4 ATOM 1765 C CG . LYS A 1 5 ? 4.972 1.269 20.208 1.00 0.00 ? 5 LYS A CG 4 ATOM 1766 C CD . LYS A 1 5 ? 4.311 -0.107 20.308 1.00 0.00 ? 5 LYS A CD 4 ATOM 1767 C CE . LYS A 1 5 ? 4.539 -1.057 19.113 1.00 0.00 ? 5 LYS A CE 4 ATOM 1768 N NZ . LYS A 1 5 ? 3.640 -2.243 19.191 1.00 0.00 ? 5 LYS A NZ 4 ATOM 1769 H H . LYS A 1 5 ? 6.492 4.140 20.373 1.00 0.00 ? 5 LYS A H 4 ATOM 1770 H HA . LYS A 1 5 ? 6.281 2.984 18.640 1.00 0.00 ? 5 LYS A HA 4 ATOM 1771 H HB2 . LYS A 1 5 ? 3.386 2.515 19.350 1.00 0.00 ? 5 LYS A HB2 4 ATOM 1772 H HB3 . LYS A 1 5 ? 4.336 1.580 18.159 1.00 0.00 ? 5 LYS A HB3 4 ATOM 1773 H HG2 . LYS A 1 5 ? 6.055 1.091 20.061 1.00 0.00 ? 5 LYS A HG2 4 ATOM 1774 H HG3 . LYS A 1 5 ? 4.826 1.775 21.189 1.00 0.00 ? 5 LYS A HG3 4 ATOM 1775 H HD2 . LYS A 1 5 ? 4.616 -0.627 21.242 1.00 0.00 ? 5 LYS A HD2 4 ATOM 1776 H HD3 . LYS A 1 5 ? 3.243 0.148 20.414 1.00 0.00 ? 5 LYS A HD3 4 ATOM 1777 H HE2 . LYS A 1 5 ? 4.315 -0.555 18.149 1.00 0.00 ? 5 LYS A HE2 4 ATOM 1778 H HE3 . LYS A 1 5 ? 5.593 -1.403 19.103 1.00 0.00 ? 5 LYS A HE3 4 ATOM 1779 H HZ1 . LYS A 1 5 ? 2.676 -1.938 19.532 1.00 0.00 ? 5 LYS A HZ1 4 ATOM 1780 H HZ2 . LYS A 1 5 ? 3.572 -2.655 18.238 1.00 0.00 ? 5 LYS A HZ2 4 ATOM 1781 H HZ3 . LYS A 1 5 ? 4.035 -2.953 19.840 1.00 0.00 ? 5 LYS A HZ3 4 ATOM 1782 N N . ALA A 1 6 ? 5.861 4.005 16.497 1.00 0.00 ? 6 ALA A N 4 ATOM 1783 C CA . ALA A 1 6 ? 5.676 4.487 15.147 1.00 0.00 ? 6 ALA A CA 4 ATOM 1784 C C . ALA A 1 6 ? 5.031 3.380 14.341 1.00 0.00 ? 6 ALA A C 4 ATOM 1785 O O . ALA A 1 6 ? 5.447 2.228 14.402 1.00 0.00 ? 6 ALA A O 4 ATOM 1786 C CB . ALA A 1 6 ? 7.004 4.943 14.491 1.00 0.00 ? 6 ALA A CB 4 ATOM 1787 H H . ALA A 1 6 ? 6.708 3.505 16.614 1.00 0.00 ? 6 ALA A H 4 ATOM 1788 H HA . ALA A 1 6 ? 5.028 5.343 15.159 1.00 0.00 ? 6 ALA A HA 4 ATOM 1789 H HB1 . ALA A 1 6 ? 7.458 5.763 15.090 1.00 0.00 ? 6 ALA A HB1 4 ATOM 1790 H HB2 . ALA A 1 6 ? 7.748 4.122 14.416 1.00 0.00 ? 6 ALA A HB2 4 ATOM 1791 H HB3 . ALA A 1 6 ? 6.826 5.353 13.470 1.00 0.00 ? 6 ALA A HB3 4 ATOM 1792 N N . LYS A 1 7 ? 3.953 3.721 13.583 1.00 0.00 ? 7 LYS A N 4 ATOM 1793 C CA . LYS A 1 7 ? 3.244 2.805 12.704 1.00 0.00 ? 7 LYS A CA 4 ATOM 1794 C C . LYS A 1 7 ? 3.720 3.093 11.307 1.00 0.00 ? 7 LYS A C 4 ATOM 1795 O O . LYS A 1 7 ? 4.622 3.898 11.115 1.00 0.00 ? 7 LYS A O 4 ATOM 1796 C CB . LYS A 1 7 ? 1.691 2.956 12.795 1.00 0.00 ? 7 LYS A CB 4 ATOM 1797 C CG . LYS A 1 7 ? 1.190 2.751 14.226 1.00 0.00 ? 7 LYS A CG 4 ATOM 1798 C CD . LYS A 1 7 ? -0.297 2.412 14.338 1.00 0.00 ? 7 LYS A CD 4 ATOM 1799 C CE . LYS A 1 7 ? -0.761 2.432 15.806 1.00 0.00 ? 7 LYS A CE 4 ATOM 1800 N NZ . LYS A 1 7 ? -2.060 1.737 16.018 1.00 0.00 ? 7 LYS A NZ 4 ATOM 1801 H H . LYS A 1 7 ? 3.708 4.680 13.486 1.00 0.00 ? 7 LYS A H 4 ATOM 1802 H HA . LYS A 1 7 ? 3.500 1.779 12.940 1.00 0.00 ? 7 LYS A HA 4 ATOM 1803 H HB2 . LYS A 1 7 ? 1.343 3.956 12.448 1.00 0.00 ? 7 LYS A HB2 4 ATOM 1804 H HB3 . LYS A 1 7 ? 1.192 2.181 12.171 1.00 0.00 ? 7 LYS A HB3 4 ATOM 1805 H HG2 . LYS A 1 7 ? 1.757 1.904 14.673 1.00 0.00 ? 7 LYS A HG2 4 ATOM 1806 H HG3 . LYS A 1 7 ? 1.422 3.666 14.811 1.00 0.00 ? 7 LYS A HG3 4 ATOM 1807 H HD2 . LYS A 1 7 ? -0.887 3.151 13.750 1.00 0.00 ? 7 LYS A HD2 4 ATOM 1808 H HD3 . LYS A 1 7 ? -0.437 1.409 13.878 1.00 0.00 ? 7 LYS A HD3 4 ATOM 1809 H HE2 . LYS A 1 7 ? -0.016 1.927 16.459 1.00 0.00 ? 7 LYS A HE2 4 ATOM 1810 H HE3 . LYS A 1 7 ? -0.875 3.487 16.140 1.00 0.00 ? 7 LYS A HE3 4 ATOM 1811 H HZ1 . LYS A 1 7 ? -2.709 1.867 15.214 1.00 0.00 ? 7 LYS A HZ1 4 ATOM 1812 H HZ2 . LYS A 1 7 ? -1.899 0.718 16.170 1.00 0.00 ? 7 LYS A HZ2 4 ATOM 1813 H HZ3 . LYS A 1 7 ? -2.503 2.122 16.878 1.00 0.00 ? 7 LYS A HZ3 4 ATOM 1814 N N . GLN A 1 8 ? 3.065 2.507 10.281 1.00 0.00 ? 8 GLN A N 4 ATOM 1815 C CA . GLN A 1 8 ? 3.324 2.784 8.880 1.00 0.00 ? 8 GLN A CA 4 ATOM 1816 C C . GLN A 1 8 ? 2.069 3.362 8.295 1.00 0.00 ? 8 GLN A C 4 ATOM 1817 O O . GLN A 1 8 ? 1.544 2.923 7.276 1.00 0.00 ? 8 GLN A O 4 ATOM 1818 C CB . GLN A 1 8 ? 3.745 1.552 8.063 1.00 0.00 ? 8 GLN A CB 4 ATOM 1819 C CG . GLN A 1 8 ? 4.999 0.857 8.618 1.00 0.00 ? 8 GLN A CG 4 ATOM 1820 C CD . GLN A 1 8 ? 5.481 -0.152 7.580 1.00 0.00 ? 8 GLN A CD 4 ATOM 1821 O OE1 . GLN A 1 8 ? 4.796 -1.120 7.270 1.00 0.00 ? 8 GLN A OE1 4 ATOM 1822 N NE2 . GLN A 1 8 ? 6.676 0.084 6.986 1.00 0.00 ? 8 GLN A NE2 4 ATOM 1823 H H . GLN A 1 8 ? 2.333 1.856 10.452 1.00 0.00 ? 8 GLN A H 4 ATOM 1824 H HA . GLN A 1 8 ? 4.101 3.531 8.761 1.00 0.00 ? 8 GLN A HA 4 ATOM 1825 H HB2 . GLN A 1 8 ? 2.916 0.810 8.009 1.00 0.00 ? 8 GLN A HB2 4 ATOM 1826 H HB3 . GLN A 1 8 ? 3.963 1.910 7.032 1.00 0.00 ? 8 GLN A HB3 4 ATOM 1827 H HG2 . GLN A 1 8 ? 5.779 1.621 8.830 1.00 0.00 ? 8 GLN A HG2 4 ATOM 1828 H HG3 . GLN A 1 8 ? 4.768 0.317 9.564 1.00 0.00 ? 8 GLN A HG3 4 ATOM 1829 H HE21 . GLN A 1 8 ? 7.208 0.886 7.259 1.00 0.00 ? 8 GLN A HE21 4 ATOM 1830 H HE22 . GLN A 1 8 ? 6.982 -0.529 6.262 1.00 0.00 ? 8 GLN A HE22 4 ATOM 1831 N N . ALA A 1 9 ? 1.601 4.417 8.974 1.00 0.00 ? 9 ALA A N 4 ATOM 1832 C CA . ALA A 1 9 ? 0.607 5.366 8.517 1.00 0.00 ? 9 ALA A CA 4 ATOM 1833 C C . ALA A 1 9 ? 1.384 6.586 8.062 1.00 0.00 ? 9 ALA A C 4 ATOM 1834 O O . ALA A 1 9 ? 2.289 6.513 7.231 1.00 0.00 ? 9 ALA A O 4 ATOM 1835 C CB . ALA A 1 9 ? -0.414 5.707 9.644 1.00 0.00 ? 9 ALA A CB 4 ATOM 1836 H H . ALA A 1 9 ? 2.114 4.635 9.791 1.00 0.00 ? 9 ALA A H 4 ATOM 1837 H HA . ALA A 1 9 ? 0.064 4.978 7.658 1.00 0.00 ? 9 ALA A HA 4 ATOM 1838 H HB1 . ALA A 1 9 ? 0.080 6.062 10.574 1.00 0.00 ? 9 ALA A HB1 4 ATOM 1839 H HB2 . ALA A 1 9 ? -1.168 6.457 9.318 1.00 0.00 ? 9 ALA A HB2 4 ATOM 1840 H HB3 . ALA A 1 9 ? -0.975 4.783 9.900 1.00 0.00 ? 9 ALA A HB3 4 ATOM 1841 N N . SER A 1 10 ? 1.080 7.757 8.634 1.00 0.00 ? 10 SER A N 4 ATOM 1842 C CA . SER A 1 10 ? 1.847 8.963 8.434 1.00 0.00 ? 10 SER A CA 4 ATOM 1843 C C . SER A 1 10 ? 1.521 9.751 9.666 1.00 0.00 ? 10 SER A C 4 ATOM 1844 O O . SER A 1 10 ? 0.953 10.834 9.598 1.00 0.00 ? 10 SER A O 4 ATOM 1845 C CB . SER A 1 10 ? 1.496 9.776 7.148 1.00 0.00 ? 10 SER A CB 4 ATOM 1846 O OG . SER A 1 10 ? 1.957 9.119 5.968 1.00 0.00 ? 10 SER A OG 4 ATOM 1847 H H . SER A 1 10 ? 0.296 7.839 9.245 1.00 0.00 ? 10 SER A H 4 ATOM 1848 H HA . SER A 1 10 ? 2.912 8.751 8.446 1.00 0.00 ? 10 SER A HA 4 ATOM 1849 H HB2 . SER A 1 10 ? 0.395 9.926 7.082 1.00 0.00 ? 10 SER A HB2 4 ATOM 1850 H HB3 . SER A 1 10 ? 1.979 10.783 7.165 1.00 0.00 ? 10 SER A HB3 4 ATOM 1851 H HG . SER A 1 10 ? 1.944 8.161 6.141 1.00 0.00 ? 10 SER A HG 4 ATOM 1852 N N . GLN A 1 11 ? 1.902 9.187 10.847 1.00 0.00 ? 11 GLN A N 4 ATOM 1853 C CA . GLN A 1 11 ? 1.821 9.822 12.158 1.00 0.00 ? 11 GLN A CA 4 ATOM 1854 C C . GLN A 1 11 ? 3.117 10.555 12.448 1.00 0.00 ? 11 GLN A C 4 ATOM 1855 O O . GLN A 1 11 ? 3.211 11.424 13.315 1.00 0.00 ? 11 GLN A O 4 ATOM 1856 C CB . GLN A 1 11 ? 1.637 8.743 13.254 1.00 0.00 ? 11 GLN A CB 4 ATOM 1857 C CG . GLN A 1 11 ? 2.547 7.513 13.018 1.00 0.00 ? 11 GLN A CG 4 ATOM 1858 C CD . GLN A 1 11 ? 3.184 7.082 14.314 1.00 0.00 ? 11 GLN A CD 4 ATOM 1859 O OE1 . GLN A 1 11 ? 4.331 7.413 14.573 1.00 0.00 ? 11 GLN A OE1 4 ATOM 1860 N NE2 . GLN A 1 11 ? 2.481 6.296 15.149 1.00 0.00 ? 11 GLN A NE2 4 ATOM 1861 H H . GLN A 1 11 ? 2.255 8.251 10.866 1.00 0.00 ? 11 GLN A H 4 ATOM 1862 H HA . GLN A 1 11 ? 1.010 10.539 12.199 1.00 0.00 ? 11 GLN A HA 4 ATOM 1863 H HB2 . GLN A 1 11 ? 1.773 9.181 14.274 1.00 0.00 ? 11 GLN A HB2 4 ATOM 1864 H HB3 . GLN A 1 11 ? 0.588 8.384 13.230 1.00 0.00 ? 11 GLN A HB3 4 ATOM 1865 H HG2 . GLN A 1 11 ? 1.988 6.687 12.535 1.00 0.00 ? 11 GLN A HG2 4 ATOM 1866 H HG3 . GLN A 1 11 ? 3.429 7.739 12.388 1.00 0.00 ? 11 GLN A HG3 4 ATOM 1867 H HE21 . GLN A 1 11 ? 1.503 6.174 15.007 1.00 0.00 ? 11 GLN A HE21 4 ATOM 1868 H HE22 . GLN A 1 11 ? 2.939 5.933 15.972 1.00 0.00 ? 11 GLN A HE22 4 ATOM 1869 N N . ASP A 1 12 ? 4.157 10.194 11.651 1.00 0.00 ? 12 ASP A N 4 ATOM 1870 C CA . ASP A 1 12 ? 5.548 10.571 11.783 1.00 0.00 ? 12 ASP A CA 4 ATOM 1871 C C . ASP A 1 12 ? 5.767 12.028 11.422 1.00 0.00 ? 12 ASP A C 4 ATOM 1872 O O . ASP A 1 12 ? 6.410 12.770 12.148 1.00 0.00 ? 12 ASP A O 4 ATOM 1873 C CB . ASP A 1 12 ? 6.413 9.648 10.873 1.00 0.00 ? 12 ASP A CB 4 ATOM 1874 C CG . ASP A 1 12 ? 7.859 9.731 11.310 1.00 0.00 ? 12 ASP A CG 4 ATOM 1875 O OD1 . ASP A 1 12 ? 8.065 9.440 12.511 1.00 0.00 ? 12 ASP A OD1 4 ATOM 1876 O OD2 . ASP A 1 12 ? 8.741 10.109 10.500 1.00 0.00 ? 12 ASP A OD2 4 ATOM 1877 H H . ASP A 1 12 ? 3.992 9.525 10.937 1.00 0.00 ? 12 ASP A H 4 ATOM 1878 H HA . ASP A 1 12 ? 5.838 10.425 12.820 1.00 0.00 ? 12 ASP A HA 4 ATOM 1879 H HB2 . ASP A 1 12 ? 6.115 8.591 11.038 1.00 0.00 ? 12 ASP A HB2 4 ATOM 1880 H HB3 . ASP A 1 12 ? 6.317 9.860 9.784 1.00 0.00 ? 12 ASP A HB3 4 ATOM 1881 N N . ALA A 1 13 ? 5.117 12.501 10.325 1.00 0.00 ? 13 ALA A N 4 ATOM 1882 C CA . ALA A 1 13 ? 5.212 13.856 9.785 1.00 0.00 ? 13 ALA A CA 4 ATOM 1883 C C . ALA A 1 13 ? 4.277 14.822 10.501 1.00 0.00 ? 13 ALA A C 4 ATOM 1884 O O . ALA A 1 13 ? 4.319 16.031 10.300 1.00 0.00 ? 13 ALA A O 4 ATOM 1885 C CB . ALA A 1 13 ? 4.891 13.886 8.268 1.00 0.00 ? 13 ALA A CB 4 ATOM 1886 H H . ALA A 1 13 ? 4.536 11.882 9.808 1.00 0.00 ? 13 ALA A H 4 ATOM 1887 H HA . ALA A 1 13 ? 6.222 14.228 9.919 1.00 0.00 ? 13 ALA A HA 4 ATOM 1888 H HB1 . ALA A 1 13 ? 5.585 13.212 7.726 1.00 0.00 ? 13 ALA A HB1 4 ATOM 1889 H HB2 . ALA A 1 13 ? 3.856 13.547 8.055 1.00 0.00 ? 13 ALA A HB2 4 ATOM 1890 H HB3 . ALA A 1 13 ? 5.022 14.905 7.838 1.00 0.00 ? 13 ALA A HB3 4 ATOM 1891 N N . GLU A 1 14 ? 3.437 14.254 11.406 1.00 0.00 ? 14 GLU A N 4 ATOM 1892 C CA . GLU A 1 14 ? 2.548 14.908 12.334 1.00 0.00 ? 14 GLU A CA 4 ATOM 1893 C C . GLU A 1 14 ? 3.272 15.149 13.639 1.00 0.00 ? 14 GLU A C 4 ATOM 1894 O O . GLU A 1 14 ? 3.147 16.221 14.229 1.00 0.00 ? 14 GLU A O 4 ATOM 1895 C CB . GLU A 1 14 ? 1.281 14.030 12.582 1.00 0.00 ? 14 GLU A CB 4 ATOM 1896 C CG . GLU A 1 14 ? 0.098 14.476 11.720 1.00 0.00 ? 14 GLU A CG 4 ATOM 1897 C CD . GLU A 1 14 ? -0.295 15.835 12.264 1.00 0.00 ? 14 GLU A CD 4 ATOM 1898 O OE1 . GLU A 1 14 ? -0.782 15.936 13.425 1.00 0.00 ? 14 GLU A OE1 4 ATOM 1899 O OE2 . GLU A 1 14 ? 0.007 16.840 11.583 1.00 0.00 ? 14 GLU A OE2 4 ATOM 1900 H H . GLU A 1 14 ? 3.468 13.263 11.496 1.00 0.00 ? 14 GLU A H 4 ATOM 1901 H HA . GLU A 1 14 ? 2.269 15.880 11.942 1.00 0.00 ? 14 GLU A HA 4 ATOM 1902 H HB2 . GLU A 1 14 ? 1.506 12.977 12.312 1.00 0.00 ? 14 GLU A HB2 4 ATOM 1903 H HB3 . GLU A 1 14 ? 0.917 14.019 13.635 1.00 0.00 ? 14 GLU A HB3 4 ATOM 1904 H HG2 . GLU A 1 14 ? 0.433 14.552 10.664 1.00 0.00 ? 14 GLU A HG2 4 ATOM 1905 H HG3 . GLU A 1 14 ? -0.751 13.760 11.781 1.00 0.00 ? 14 GLU A HG3 4 ATOM 1906 N N . GLN A 1 15 ? 4.055 14.134 14.098 1.00 0.00 ? 15 GLN A N 4 ATOM 1907 C CA . GLN A 1 15 ? 4.784 14.096 15.354 1.00 0.00 ? 15 GLN A CA 4 ATOM 1908 C C . GLN A 1 15 ? 6.097 14.837 15.262 1.00 0.00 ? 15 GLN A C 4 ATOM 1909 O O . GLN A 1 15 ? 6.424 15.648 16.126 1.00 0.00 ? 15 GLN A O 4 ATOM 1910 C CB . GLN A 1 15 ? 5.005 12.638 15.854 1.00 0.00 ? 15 GLN A CB 4 ATOM 1911 C CG . GLN A 1 15 ? 4.877 12.458 17.380 1.00 0.00 ? 15 GLN A CG 4 ATOM 1912 C CD . GLN A 1 15 ? 6.187 12.636 18.157 1.00 0.00 ? 15 GLN A CD 4 ATOM 1913 O OE1 . GLN A 1 15 ? 6.934 11.682 18.384 1.00 0.00 ? 15 GLN A OE1 4 ATOM 1914 N NE2 . GLN A 1 15 ? 6.462 13.870 18.625 1.00 0.00 ? 15 GLN A NE2 4 ATOM 1915 H H . GLN A 1 15 ? 4.081 13.266 13.596 1.00 0.00 ? 15 GLN A H 4 ATOM 1916 H HA . GLN A 1 15 ? 4.176 14.605 16.093 1.00 0.00 ? 15 GLN A HA 4 ATOM 1917 H HB2 . GLN A 1 15 ? 4.139 12.059 15.475 1.00 0.00 ? 15 GLN A HB2 4 ATOM 1918 H HB3 . GLN A 1 15 ? 5.906 12.136 15.428 1.00 0.00 ? 15 GLN A HB3 4 ATOM 1919 H HG2 . GLN A 1 15 ? 4.095 13.154 17.756 1.00 0.00 ? 15 GLN A HG2 4 ATOM 1920 H HG3 . GLN A 1 15 ? 4.537 11.422 17.560 1.00 0.00 ? 15 GLN A HG3 4 ATOM 1921 H HE21 . GLN A 1 15 ? 5.881 14.653 18.428 1.00 0.00 ? 15 GLN A HE21 4 ATOM 1922 H HE22 . GLN A 1 15 ? 7.427 14.082 18.911 1.00 0.00 ? 15 GLN A HE22 4 ATOM 1923 N N . ALA A 1 16 ? 6.854 14.637 14.138 1.00 0.00 ? 16 ALA A N 4 ATOM 1924 C CA . ALA A 1 16 ? 8.176 15.206 13.865 1.00 0.00 ? 16 ALA A CA 4 ATOM 1925 C C . ALA A 1 16 ? 8.125 16.690 13.543 1.00 0.00 ? 16 ALA A C 4 ATOM 1926 O O . ALA A 1 16 ? 9.106 17.421 13.639 1.00 0.00 ? 16 ALA A O 4 ATOM 1927 C CB . ALA A 1 16 ? 8.889 14.465 12.692 1.00 0.00 ? 16 ALA A CB 4 ATOM 1928 H H . ALA A 1 16 ? 6.567 13.954 13.448 1.00 0.00 ? 16 ALA A H 4 ATOM 1929 H HA . ALA A 1 16 ? 8.786 15.084 14.750 1.00 0.00 ? 16 ALA A HA 4 ATOM 1930 H HB1 . ALA A 1 16 ? 8.916 13.373 12.901 1.00 0.00 ? 16 ALA A HB1 4 ATOM 1931 H HB2 . ALA A 1 16 ? 8.368 14.590 11.715 1.00 0.00 ? 16 ALA A HB2 4 ATOM 1932 H HB3 . ALA A 1 16 ? 9.944 14.796 12.570 1.00 0.00 ? 16 ALA A HB3 4 ATOM 1933 N N . ALA A 1 17 ? 6.896 17.174 13.233 1.00 0.00 ? 17 ALA A N 4 ATOM 1934 C CA . ALA A 1 17 ? 6.506 18.558 13.014 1.00 0.00 ? 17 ALA A CA 4 ATOM 1935 C C . ALA A 1 17 ? 6.197 19.281 14.315 1.00 0.00 ? 17 ALA A C 4 ATOM 1936 O O . ALA A 1 17 ? 6.302 20.504 14.390 1.00 0.00 ? 17 ALA A O 4 ATOM 1937 C CB . ALA A 1 17 ? 5.261 18.639 12.094 1.00 0.00 ? 17 ALA A CB 4 ATOM 1938 H H . ALA A 1 17 ? 6.166 16.496 13.179 1.00 0.00 ? 17 ALA A H 4 ATOM 1939 H HA . ALA A 1 17 ? 7.313 19.091 12.527 1.00 0.00 ? 17 ALA A HA 4 ATOM 1940 H HB1 . ALA A 1 17 ? 4.390 18.080 12.503 1.00 0.00 ? 17 ALA A HB1 4 ATOM 1941 H HB2 . ALA A 1 17 ? 4.936 19.685 11.889 1.00 0.00 ? 17 ALA A HB2 4 ATOM 1942 H HB3 . ALA A 1 17 ? 5.498 18.179 11.108 1.00 0.00 ? 17 ALA A HB3 4 ATOM 1943 N N . LYS A 1 18 ? 5.813 18.526 15.396 1.00 0.00 ? 18 LYS A N 4 ATOM 1944 C CA . LYS A 1 18 ? 5.460 19.061 16.704 1.00 0.00 ? 18 LYS A CA 4 ATOM 1945 C C . LYS A 1 18 ? 6.648 19.145 17.638 1.00 0.00 ? 18 LYS A C 4 ATOM 1946 O O . LYS A 1 18 ? 6.694 20.018 18.500 1.00 0.00 ? 18 LYS A O 4 ATOM 1947 C CB . LYS A 1 18 ? 4.271 18.296 17.337 1.00 0.00 ? 18 LYS A CB 4 ATOM 1948 C CG . LYS A 1 18 ? 2.995 18.488 16.500 1.00 0.00 ? 18 LYS A CG 4 ATOM 1949 C CD . LYS A 1 18 ? 1.855 17.536 16.892 1.00 0.00 ? 18 LYS A CD 4 ATOM 1950 C CE . LYS A 1 18 ? 0.567 17.697 16.056 1.00 0.00 ? 18 LYS A CE 4 ATOM 1951 N NZ . LYS A 1 18 ? 0.813 17.545 14.603 1.00 0.00 ? 18 LYS A NZ 4 ATOM 1952 H H . LYS A 1 18 ? 5.758 17.519 15.361 1.00 0.00 ? 18 LYS A H 4 ATOM 1953 H HA . LYS A 1 18 ? 5.110 20.083 16.579 1.00 0.00 ? 18 LYS A HA 4 ATOM 1954 H HB2 . LYS A 1 18 ? 4.504 17.209 17.382 1.00 0.00 ? 18 LYS A HB2 4 ATOM 1955 H HB3 . LYS A 1 18 ? 4.046 18.654 18.365 1.00 0.00 ? 18 LYS A HB3 4 ATOM 1956 H HG2 . LYS A 1 18 ? 2.647 19.536 16.605 1.00 0.00 ? 18 LYS A HG2 4 ATOM 1957 H HG3 . LYS A 1 18 ? 3.271 18.323 15.438 1.00 0.00 ? 18 LYS A HG3 4 ATOM 1958 H HD2 . LYS A 1 18 ? 2.229 16.496 16.789 1.00 0.00 ? 18 LYS A HD2 4 ATOM 1959 H HD3 . LYS A 1 18 ? 1.596 17.694 17.963 1.00 0.00 ? 18 LYS A HD3 4 ATOM 1960 H HE2 . LYS A 1 18 ? -0.167 16.914 16.338 1.00 0.00 ? 18 LYS A HE2 4 ATOM 1961 H HE3 . LYS A 1 18 ? 0.123 18.703 16.218 1.00 0.00 ? 18 LYS A HE3 4 ATOM 1962 H HZ1 . LYS A 1 18 ? 1.757 17.105 14.440 1.00 0.00 ? 18 LYS A HZ1 4 ATOM 1963 H HZ2 . LYS A 1 18 ? 0.087 16.888 14.141 1.00 0.00 ? 18 LYS A HZ2 4 ATOM 1964 H HZ3 . LYS A 1 18 ? 0.763 18.437 14.085 1.00 0.00 ? 18 LYS A HZ3 4 ATOM 1965 N N . ASP A 1 19 ? 7.707 18.312 17.432 1.00 0.00 ? 19 ASP A N 4 ATOM 1966 C CA . ASP A 1 19 ? 8.951 18.328 18.219 1.00 0.00 ? 19 ASP A CA 4 ATOM 1967 C C . ASP A 1 19 ? 9.963 19.308 17.632 1.00 0.00 ? 19 ASP A C 4 ATOM 1968 O O . ASP A 1 19 ? 11.143 19.275 17.961 1.00 0.00 ? 19 ASP A O 4 ATOM 1969 C CB . ASP A 1 19 ? 9.672 16.943 18.428 1.00 0.00 ? 19 ASP A CB 4 ATOM 1970 C CG . ASP A 1 19 ? 8.858 15.977 19.286 1.00 0.00 ? 19 ASP A CG 4 ATOM 1971 O OD1 . ASP A 1 19 ? 8.210 16.449 20.257 1.00 0.00 ? 19 ASP A OD1 4 ATOM 1972 O OD2 . ASP A 1 19 ? 8.898 14.742 19.024 1.00 0.00 ? 19 ASP A OD2 4 ATOM 1973 H H . ASP A 1 19 ? 7.656 17.624 16.715 1.00 0.00 ? 19 ASP A H 4 ATOM 1974 H HA . ASP A 1 19 ? 8.721 18.688 19.212 1.00 0.00 ? 19 ASP A HA 4 ATOM 1975 H HB2 . ASP A 1 19 ? 9.932 16.462 17.464 1.00 0.00 ? 19 ASP A HB2 4 ATOM 1976 H HB3 . ASP A 1 19 ? 10.609 17.092 19.013 1.00 0.00 ? 19 ASP A HB3 4 ATOM 1977 N N . ALA A 1 20 ? 9.497 20.238 16.754 1.00 0.00 ? 20 ALA A N 4 ATOM 1978 C CA . ALA A 1 20 ? 10.233 21.377 16.243 1.00 0.00 ? 20 ALA A CA 4 ATOM 1979 C C . ALA A 1 20 ? 10.022 22.596 17.132 1.00 0.00 ? 20 ALA A C 4 ATOM 1980 O O . ALA A 1 20 ? 10.938 23.383 17.367 1.00 0.00 ? 20 ALA A O 4 ATOM 1981 C CB . ALA A 1 20 ? 9.835 21.716 14.782 1.00 0.00 ? 20 ALA A CB 4 ATOM 1982 H H . ALA A 1 20 ? 8.543 20.193 16.471 1.00 0.00 ? 20 ALA A H 4 ATOM 1983 H HA . ALA A 1 20 ? 11.294 21.144 16.243 1.00 0.00 ? 20 ALA A HA 4 ATOM 1984 H HB1 . ALA A 1 20 ? 8.744 21.917 14.681 1.00 0.00 ? 20 ALA A HB1 4 ATOM 1985 H HB2 . ALA A 1 20 ? 10.392 22.604 14.400 1.00 0.00 ? 20 ALA A HB2 4 ATOM 1986 H HB3 . ALA A 1 20 ? 10.081 20.860 14.116 1.00 0.00 ? 20 ALA A HB3 4 ATOM 1987 N N . GLU A 1 21 ? 8.773 22.749 17.673 1.00 0.00 ? 21 GLU A N 4 ATOM 1988 C CA . GLU A 1 21 ? 8.302 23.823 18.547 1.00 0.00 ? 21 GLU A CA 4 ATOM 1989 C C . GLU A 1 21 ? 8.538 23.391 19.981 1.00 0.00 ? 21 GLU A C 4 ATOM 1990 O O . GLU A 1 21 ? 9.155 24.115 20.769 1.00 0.00 ? 21 GLU A O 4 ATOM 1991 C CB . GLU A 1 21 ? 6.797 24.207 18.296 1.00 0.00 ? 21 GLU A CB 4 ATOM 1992 C CG . GLU A 1 21 ? 6.567 25.485 17.430 1.00 0.00 ? 21 GLU A CG 4 ATOM 1993 C CD . GLU A 1 21 ? 6.815 26.797 18.195 1.00 0.00 ? 21 GLU A CD 4 ATOM 1994 O OE1 . GLU A 1 21 ? 6.497 26.874 19.415 1.00 0.00 ? 21 GLU A OE1 4 ATOM 1995 O OE2 . GLU A 1 21 ? 7.306 27.764 17.562 1.00 0.00 ? 21 GLU A OE2 4 ATOM 1996 H H . GLU A 1 21 ? 8.121 22.011 17.530 1.00 0.00 ? 21 GLU A H 4 ATOM 1997 H HA . GLU A 1 21 ? 8.908 24.704 18.383 1.00 0.00 ? 21 GLU A HA 4 ATOM 1998 H HB2 . GLU A 1 21 ? 6.327 23.356 17.754 1.00 0.00 ? 21 GLU A HB2 4 ATOM 1999 H HB3 . GLU A 1 21 ? 6.201 24.360 19.229 1.00 0.00 ? 21 GLU A HB3 4 ATOM 2000 H HG2 . GLU A 1 21 ? 7.219 25.487 16.531 1.00 0.00 ? 21 GLU A HG2 4 ATOM 2001 H HG3 . GLU A 1 21 ? 5.505 25.515 17.104 1.00 0.00 ? 21 GLU A HG3 4 ATOM 2002 N N . ASN A 1 22 ? 8.144 22.119 20.315 1.00 0.00 ? 22 ASN A N 4 ATOM 2003 C CA . ASN A 1 22 ? 8.237 21.444 21.630 1.00 0.00 ? 22 ASN A CA 4 ATOM 2004 C C . ASN A 1 22 ? 9.645 21.141 22.077 1.00 0.00 ? 22 ASN A C 4 ATOM 2005 O O . ASN A 1 22 ? 9.859 20.811 23.237 1.00 0.00 ? 22 ASN A O 4 ATOM 2006 C CB . ASN A 1 22 ? 7.546 20.037 21.707 1.00 0.00 ? 22 ASN A CB 4 ATOM 2007 C CG . ASN A 1 22 ? 6.044 20.100 21.521 1.00 0.00 ? 22 ASN A CG 4 ATOM 2008 O OD1 . ASN A 1 22 ? 5.410 21.129 21.744 1.00 0.00 ? 22 ASN A OD1 4 ATOM 2009 N ND2 . ASN A 1 22 ? 5.437 18.951 21.135 1.00 0.00 ? 22 ASN A ND2 4 ATOM 2010 H H . ASN A 1 22 ? 7.666 21.562 19.637 1.00 0.00 ? 22 ASN A H 4 ATOM 2011 H HA . ASN A 1 22 ? 7.800 22.091 22.380 1.00 0.00 ? 22 ASN A HA 4 ATOM 2012 H HB2 . ASN A 1 22 ? 7.972 19.347 20.947 1.00 0.00 ? 22 ASN A HB2 4 ATOM 2013 H HB3 . ASN A 1 22 ? 7.668 19.550 22.704 1.00 0.00 ? 22 ASN A HB3 4 ATOM 2014 H HD21 . ASN A 1 22 ? 5.988 18.130 20.946 1.00 0.00 ? 22 ASN A HD21 4 ATOM 2015 H HD22 . ASN A 1 22 ? 4.449 18.947 21.030 1.00 0.00 ? 22 ASN A HD22 4 ATOM 2016 N N . ALA A 1 23 ? 10.633 21.318 21.162 1.00 0.00 ? 23 ALA A N 4 ATOM 2017 C CA . ALA A 1 23 ? 12.059 21.191 21.441 1.00 0.00 ? 23 ALA A CA 4 ATOM 2018 C C . ALA A 1 23 ? 12.597 22.350 22.261 1.00 0.00 ? 23 ALA A C 4 ATOM 2019 O O . ALA A 1 23 ? 13.387 22.151 23.178 1.00 0.00 ? 23 ALA A O 4 ATOM 2020 C CB . ALA A 1 23 ? 12.915 21.103 20.148 1.00 0.00 ? 23 ALA A CB 4 ATOM 2021 H H . ALA A 1 23 ? 10.384 21.547 20.224 1.00 0.00 ? 23 ALA A H 4 ATOM 2022 H HA . ALA A 1 23 ? 12.225 20.289 22.016 1.00 0.00 ? 23 ALA A HA 4 ATOM 2023 H HB1 . ALA A 1 23 ? 12.802 21.996 19.498 1.00 0.00 ? 23 ALA A HB1 4 ATOM 2024 H HB2 . ALA A 1 23 ? 13.995 20.959 20.377 1.00 0.00 ? 23 ALA A HB2 4 ATOM 2025 H HB3 . ALA A 1 23 ? 12.600 20.215 19.567 1.00 0.00 ? 23 ALA A HB3 4 ATOM 2026 N N . SER A 1 24 ? 12.170 23.598 21.938 1.00 0.00 ? 24 SER A N 4 ATOM 2027 C CA . SER A 1 24 ? 12.622 24.818 22.596 1.00 0.00 ? 24 SER A CA 4 ATOM 2028 C C . SER A 1 24 ? 11.759 25.223 23.770 1.00 0.00 ? 24 SER A C 4 ATOM 2029 O O . SER A 1 24 ? 12.187 25.996 24.625 1.00 0.00 ? 24 SER A O 4 ATOM 2030 C CB . SER A 1 24 ? 12.784 25.992 21.602 1.00 0.00 ? 24 SER A CB 4 ATOM 2031 O OG . SER A 1 24 ? 13.814 25.666 20.674 1.00 0.00 ? 24 SER A OG 4 ATOM 2032 H H . SER A 1 24 ? 11.462 23.731 21.248 1.00 0.00 ? 24 SER A H 4 ATOM 2033 H HA . SER A 1 24 ? 13.588 24.648 23.046 1.00 0.00 ? 24 SER A HA 4 ATOM 2034 H HB2 . SER A 1 24 ? 11.844 26.181 21.042 1.00 0.00 ? 24 SER A HB2 4 ATOM 2035 H HB3 . SER A 1 24 ? 13.080 26.935 22.117 1.00 0.00 ? 24 SER A HB3 4 ATOM 2036 H HG . SER A 1 24 ? 13.479 24.966 20.104 1.00 0.00 ? 24 SER A HG 4 ATOM 2037 N N . LYS A 1 25 ? 10.517 24.669 23.887 1.00 0.00 ? 25 LYS A N 4 ATOM 2038 C CA . LYS A 1 25 ? 9.534 24.964 24.925 1.00 0.00 ? 25 LYS A CA 4 ATOM 2039 C C . LYS A 1 25 ? 9.940 24.584 26.353 1.00 0.00 ? 25 LYS A C 4 ATOM 2040 O O . LYS A 1 25 ? 9.538 25.258 27.304 1.00 0.00 ? 25 LYS A O 4 ATOM 2041 C CB . LYS A 1 25 ? 8.191 24.312 24.531 1.00 0.00 ? 25 LYS A CB 4 ATOM 2042 C CG . LYS A 1 25 ? 7.553 25.027 23.333 1.00 0.00 ? 25 LYS A CG 4 ATOM 2043 C CD . LYS A 1 25 ? 6.809 26.319 23.679 1.00 0.00 ? 25 LYS A CD 4 ATOM 2044 C CE . LYS A 1 25 ? 6.368 27.116 22.446 1.00 0.00 ? 25 LYS A CE 4 ATOM 2045 N NZ . LYS A 1 25 ? 7.489 27.873 21.847 1.00 0.00 ? 25 LYS A NZ 4 ATOM 2046 H H . LYS A 1 25 ? 10.148 24.092 23.158 1.00 0.00 ? 25 LYS A H 4 ATOM 2047 H HA . LYS A 1 25 ? 9.388 26.040 24.932 1.00 0.00 ? 25 LYS A HA 4 ATOM 2048 H HB2 . LYS A 1 25 ? 8.399 23.259 24.232 1.00 0.00 ? 25 LYS A HB2 4 ATOM 2049 H HB3 . LYS A 1 25 ? 7.454 24.308 25.358 1.00 0.00 ? 25 LYS A HB3 4 ATOM 2050 H HG2 . LYS A 1 25 ? 8.336 25.287 22.594 1.00 0.00 ? 25 LYS A HG2 4 ATOM 2051 H HG3 . LYS A 1 25 ? 6.840 24.339 22.830 1.00 0.00 ? 25 LYS A HG3 4 ATOM 2052 H HD2 . LYS A 1 25 ? 5.910 26.003 24.251 1.00 0.00 ? 25 LYS A HD2 4 ATOM 2053 H HD3 . LYS A 1 25 ? 7.433 26.980 24.323 1.00 0.00 ? 25 LYS A HD3 4 ATOM 2054 H HE2 . LYS A 1 25 ? 5.978 26.412 21.682 1.00 0.00 ? 25 LYS A HE2 4 ATOM 2055 H HE3 . LYS A 1 25 ? 5.573 27.857 22.671 1.00 0.00 ? 25 LYS A HE3 4 ATOM 2056 H HZ1 . LYS A 1 25 ? 8.428 27.444 22.007 1.00 0.00 ? 25 LYS A HZ1 4 ATOM 2057 H HZ2 . LYS A 1 25 ? 7.267 27.944 20.815 1.00 0.00 ? 25 LYS A HZ2 4 ATOM 2058 H HZ3 . LYS A 1 25 ? 7.584 28.817 22.347 1.00 0.00 ? 25 LYS A HZ3 4 ATOM 2059 N N . GLU A 1 26 ? 10.878 23.589 26.464 1.00 0.00 ? 26 GLU A N 4 ATOM 2060 C CA . GLU A 1 26 ? 11.660 23.198 27.644 1.00 0.00 ? 26 GLU A CA 4 ATOM 2061 C C . GLU A 1 26 ? 12.573 24.310 28.165 1.00 0.00 ? 26 GLU A C 4 ATOM 2062 O O . GLU A 1 26 ? 12.780 24.457 29.366 1.00 0.00 ? 26 GLU A O 4 ATOM 2063 C CB . GLU A 1 26 ? 12.547 21.925 27.366 1.00 0.00 ? 26 GLU A CB 4 ATOM 2064 C CG . GLU A 1 26 ? 13.277 21.303 28.600 1.00 0.00 ? 26 GLU A CG 4 ATOM 2065 C CD . GLU A 1 26 ? 14.296 20.221 28.214 1.00 0.00 ? 26 GLU A CD 4 ATOM 2066 O OE1 . GLU A 1 26 ? 13.889 19.079 27.864 1.00 0.00 ? 26 GLU A OE1 4 ATOM 2067 O OE2 . GLU A 1 26 ? 15.511 20.547 28.308 1.00 0.00 ? 26 GLU A OE2 4 ATOM 2068 H H . GLU A 1 26 ? 11.100 23.086 25.629 1.00 0.00 ? 26 GLU A H 4 ATOM 2069 H HA . GLU A 1 26 ? 10.959 22.952 28.430 1.00 0.00 ? 26 GLU A HA 4 ATOM 2070 H HB2 . GLU A 1 26 ? 11.901 21.117 26.955 1.00 0.00 ? 26 GLU A HB2 4 ATOM 2071 H HB3 . GLU A 1 26 ? 13.306 22.152 26.581 1.00 0.00 ? 26 GLU A HB3 4 ATOM 2072 H HG2 . GLU A 1 26 ? 13.861 22.085 29.132 1.00 0.00 ? 26 GLU A HG2 4 ATOM 2073 H HG3 . GLU A 1 26 ? 12.553 20.870 29.323 1.00 0.00 ? 26 GLU A HG3 4 ATOM 2074 N N . ALA A 1 27 ? 13.126 25.158 27.251 1.00 0.00 ? 27 ALA A N 4 ATOM 2075 C CA . ALA A 1 27 ? 14.052 26.238 27.548 1.00 0.00 ? 27 ALA A CA 4 ATOM 2076 C C . ALA A 1 27 ? 13.317 27.527 27.792 1.00 0.00 ? 27 ALA A C 4 ATOM 2077 O O . ALA A 1 27 ? 13.879 28.467 28.340 1.00 0.00 ? 27 ALA A O 4 ATOM 2078 C CB . ALA A 1 27 ? 15.037 26.526 26.387 1.00 0.00 ? 27 ALA A CB 4 ATOM 2079 H H . ALA A 1 27 ? 12.874 25.096 26.284 1.00 0.00 ? 27 ALA A H 4 ATOM 2080 H HA . ALA A 1 27 ? 14.625 25.997 28.433 1.00 0.00 ? 27 ALA A HA 4 ATOM 2081 H HB1 . ALA A 1 27 ? 15.597 25.599 26.142 1.00 0.00 ? 27 ALA A HB1 4 ATOM 2082 H HB2 . ALA A 1 27 ? 14.514 26.855 25.459 1.00 0.00 ? 27 ALA A HB2 4 ATOM 2083 H HB3 . ALA A 1 27 ? 15.788 27.307 26.667 1.00 0.00 ? 27 ALA A HB3 4 ATOM 2084 N N . GLU A 1 28 ? 12.036 27.574 27.345 1.00 0.00 ? 28 GLU A N 4 ATOM 2085 C CA . GLU A 1 28 ? 11.250 28.790 27.178 1.00 0.00 ? 28 GLU A CA 4 ATOM 2086 C C . GLU A 1 28 ? 10.511 29.076 28.480 1.00 0.00 ? 28 GLU A C 4 ATOM 2087 O O . GLU A 1 28 ? 10.504 30.211 28.949 1.00 0.00 ? 28 GLU A O 4 ATOM 2088 C CB . GLU A 1 28 ? 10.304 28.675 25.931 1.00 0.00 ? 28 GLU A CB 4 ATOM 2089 C CG . GLU A 1 28 ? 9.845 29.974 25.189 1.00 0.00 ? 28 GLU A CG 4 ATOM 2090 C CD . GLU A 1 28 ? 9.133 29.536 23.890 1.00 0.00 ? 28 GLU A CD 4 ATOM 2091 O OE1 . GLU A 1 28 ? 9.784 28.747 23.158 1.00 0.00 ? 28 GLU A OE1 4 ATOM 2092 O OE2 . GLU A 1 28 ? 7.940 29.831 23.606 1.00 0.00 ? 28 GLU A OE2 4 ATOM 2093 H H . GLU A 1 28 ? 11.647 26.739 26.957 1.00 0.00 ? 28 GLU A H 4 ATOM 2094 H HA . GLU A 1 28 ? 11.937 29.608 26.976 1.00 0.00 ? 28 GLU A HA 4 ATOM 2095 H HB2 . GLU A 1 28 ? 10.914 28.124 25.181 1.00 0.00 ? 28 GLU A HB2 4 ATOM 2096 H HB3 . GLU A 1 28 ? 9.416 28.036 26.144 1.00 0.00 ? 28 GLU A HB3 4 ATOM 2097 H HG2 . GLU A 1 28 ? 9.161 30.602 25.792 1.00 0.00 ? 28 GLU A HG2 4 ATOM 2098 H HG3 . GLU A 1 28 ? 10.733 30.580 24.912 1.00 0.00 ? 28 GLU A HG3 4 ATOM 2099 N N . GLU A 1 29 ? 9.921 28.024 29.130 1.00 0.00 ? 29 GLU A N 4 ATOM 2100 C CA . GLU A 1 29 ? 9.298 28.158 30.457 1.00 0.00 ? 29 GLU A CA 4 ATOM 2101 C C . GLU A 1 29 ? 10.283 27.893 31.602 1.00 0.00 ? 29 GLU A C 4 ATOM 2102 O O . GLU A 1 29 ? 10.106 28.378 32.717 1.00 0.00 ? 29 GLU A O 4 ATOM 2103 C CB . GLU A 1 29 ? 7.961 27.358 30.656 1.00 0.00 ? 29 GLU A CB 4 ATOM 2104 C CG . GLU A 1 29 ? 6.964 28.024 31.653 1.00 0.00 ? 29 GLU A CG 4 ATOM 2105 C CD . GLU A 1 29 ? 6.170 29.159 31.026 1.00 0.00 ? 29 GLU A CD 4 ATOM 2106 O OE1 . GLU A 1 29 ? 6.773 29.986 30.286 1.00 0.00 ? 29 GLU A OE1 4 ATOM 2107 O OE2 . GLU A 1 29 ? 4.940 29.212 31.260 1.00 0.00 ? 29 GLU A OE2 4 ATOM 2108 H H . GLU A 1 29 ? 9.868 27.127 28.693 1.00 0.00 ? 29 GLU A H 4 ATOM 2109 H HA . GLU A 1 29 ? 9.020 29.191 30.582 1.00 0.00 ? 29 GLU A HA 4 ATOM 2110 H HB2 . GLU A 1 29 ? 7.413 27.265 29.690 1.00 0.00 ? 29 GLU A HB2 4 ATOM 2111 H HB3 . GLU A 1 29 ? 8.171 26.327 31.029 1.00 0.00 ? 29 GLU A HB3 4 ATOM 2112 H HG2 . GLU A 1 29 ? 6.224 27.279 32.014 1.00 0.00 ? 29 GLU A HG2 4 ATOM 2113 H HG3 . GLU A 1 29 ? 7.467 28.457 32.542 1.00 0.00 ? 29 GLU A HG3 4 ATOM 2114 N N . ALA A 1 30 ? 11.428 27.200 31.343 1.00 0.00 ? 30 ALA A N 4 ATOM 2115 C CA . ALA A 1 30 ? 12.483 26.976 32.351 1.00 0.00 ? 30 ALA A CA 4 ATOM 2116 C C . ALA A 1 30 ? 13.355 28.207 32.520 1.00 0.00 ? 30 ALA A C 4 ATOM 2117 O O . ALA A 1 30 ? 13.888 28.486 33.593 1.00 0.00 ? 30 ALA A O 4 ATOM 2118 C CB . ALA A 1 30 ? 13.388 25.764 32.031 1.00 0.00 ? 30 ALA A CB 4 ATOM 2119 H H . ALA A 1 30 ? 11.581 26.777 30.456 1.00 0.00 ? 30 ALA A H 4 ATOM 2120 H HA . ALA A 1 30 ? 12.007 26.772 33.306 1.00 0.00 ? 30 ALA A HA 4 ATOM 2121 H HB1 . ALA A 1 30 ? 12.743 24.881 31.826 1.00 0.00 ? 30 ALA A HB1 4 ATOM 2122 H HB2 . ALA A 1 30 ? 14.025 25.932 31.133 1.00 0.00 ? 30 ALA A HB2 4 ATOM 2123 H HB3 . ALA A 1 30 ? 14.044 25.511 32.894 1.00 0.00 ? 30 ALA A HB3 4 ATOM 2124 N N . ALA A 1 31 ? 13.380 29.052 31.443 1.00 0.00 ? 31 ALA A N 4 ATOM 2125 C CA . ALA A 1 31 ? 13.809 30.433 31.426 1.00 0.00 ? 31 ALA A CA 4 ATOM 2126 C C . ALA A 1 31 ? 12.650 31.350 31.694 1.00 0.00 ? 31 ALA A C 4 ATOM 2127 O O . ALA A 1 31 ? 12.393 32.288 30.945 1.00 0.00 ? 31 ALA A O 4 ATOM 2128 C CB . ALA A 1 31 ? 14.521 30.863 30.108 1.00 0.00 ? 31 ALA A CB 4 ATOM 2129 H H . ALA A 1 31 ? 13.005 28.750 30.570 1.00 0.00 ? 31 ALA A H 4 ATOM 2130 H HA . ALA A 1 31 ? 14.480 30.584 32.235 1.00 0.00 ? 31 ALA A HA 4 ATOM 2131 H HB1 . ALA A 1 31 ? 15.323 30.139 29.869 1.00 0.00 ? 31 ALA A HB1 4 ATOM 2132 H HB2 . ALA A 1 31 ? 13.819 30.873 29.246 1.00 0.00 ? 31 ALA A HB2 4 ATOM 2133 H HB3 . ALA A 1 31 ? 14.990 31.867 30.191 1.00 0.00 ? 31 ALA A HB3 4 ATOM 2134 N N . LYS A 1 32 ? 11.913 31.066 32.793 1.00 0.00 ? 32 LYS A N 4 ATOM 2135 C CA . LYS A 1 32 ? 10.772 31.822 33.222 1.00 0.00 ? 32 LYS A CA 4 ATOM 2136 C C . LYS A 1 32 ? 10.635 31.606 34.703 1.00 0.00 ? 32 LYS A C 4 ATOM 2137 O O . LYS A 1 32 ? 10.425 32.581 35.419 1.00 0.00 ? 32 LYS A O 4 ATOM 2138 C CB . LYS A 1 32 ? 9.455 31.414 32.500 1.00 0.00 ? 32 LYS A CB 4 ATOM 2139 C CG . LYS A 1 32 ? 8.396 32.522 32.400 1.00 0.00 ? 32 LYS A CG 4 ATOM 2140 C CD . LYS A 1 32 ? 8.580 33.470 31.199 1.00 0.00 ? 32 LYS A CD 4 ATOM 2141 C CE . LYS A 1 32 ? 7.968 33.068 29.835 1.00 0.00 ? 32 LYS A CE 4 ATOM 2142 N NZ . LYS A 1 32 ? 8.324 31.719 29.335 1.00 0.00 ? 32 LYS A NZ 4 ATOM 2143 H H . LYS A 1 32 ? 12.096 30.231 33.303 1.00 0.00 ? 32 LYS A H 4 ATOM 2144 H HA . LYS A 1 32 ? 10.985 32.877 33.090 1.00 0.00 ? 32 LYS A HA 4 ATOM 2145 H HB2 . LYS A 1 32 ? 9.714 31.079 31.478 1.00 0.00 ? 32 LYS A HB2 4 ATOM 2146 H HB3 . LYS A 1 32 ? 8.975 30.538 32.983 1.00 0.00 ? 32 LYS A HB3 4 ATOM 2147 H HG2 . LYS A 1 32 ? 7.381 32.067 32.384 1.00 0.00 ? 32 LYS A HG2 4 ATOM 2148 H HG3 . LYS A 1 32 ? 8.451 33.143 33.322 1.00 0.00 ? 32 LYS A HG3 4 ATOM 2149 H HD2 . LYS A 1 32 ? 8.040 34.405 31.474 1.00 0.00 ? 32 LYS A HD2 4 ATOM 2150 H HD3 . LYS A 1 32 ? 9.658 33.719 31.075 1.00 0.00 ? 32 LYS A HD3 4 ATOM 2151 H HE2 . LYS A 1 32 ? 6.858 33.106 29.883 1.00 0.00 ? 32 LYS A HE2 4 ATOM 2152 H HE3 . LYS A 1 32 ? 8.329 33.792 29.076 1.00 0.00 ? 32 LYS A HE3 4 ATOM 2153 H HZ1 . LYS A 1 32 ? 9.313 31.402 29.515 1.00 0.00 ? 32 LYS A HZ1 4 ATOM 2154 H HZ2 . LYS A 1 32 ? 7.679 30.973 29.784 1.00 0.00 ? 32 LYS A HZ2 4 ATOM 2155 H HZ3 . LYS A 1 32 ? 8.142 31.674 28.318 1.00 0.00 ? 32 LYS A HZ3 4 ATOM 2156 N N . GLU A 1 33 ? 10.749 30.315 35.191 1.00 0.00 ? 33 GLU A N 4 ATOM 2157 C CA . GLU A 1 33 ? 10.604 29.818 36.580 1.00 0.00 ? 33 GLU A CA 4 ATOM 2158 C C . GLU A 1 33 ? 11.200 30.692 37.691 1.00 0.00 ? 33 GLU A C 4 ATOM 2159 O O . GLU A 1 33 ? 10.521 31.013 38.661 1.00 0.00 ? 33 GLU A O 4 ATOM 2160 C CB . GLU A 1 33 ? 11.126 28.333 36.785 1.00 0.00 ? 33 GLU A CB 4 ATOM 2161 C CG . GLU A 1 33 ? 10.025 27.238 36.857 1.00 0.00 ? 33 GLU A CG 4 ATOM 2162 C CD . GLU A 1 33 ? 9.911 26.401 35.575 1.00 0.00 ? 33 GLU A CD 4 ATOM 2163 O OE1 . GLU A 1 33 ? 10.900 25.696 35.229 1.00 0.00 ? 33 GLU A OE1 4 ATOM 2164 O OE2 . GLU A 1 33 ? 8.821 26.440 34.950 1.00 0.00 ? 33 GLU A OE2 4 ATOM 2165 H H . GLU A 1 33 ? 10.799 29.560 34.534 1.00 0.00 ? 33 GLU A H 4 ATOM 2166 H HA . GLU A 1 33 ? 9.536 29.799 36.758 1.00 0.00 ? 33 GLU A HA 4 ATOM 2167 H HB2 . GLU A 1 33 ? 11.900 28.070 36.024 1.00 0.00 ? 33 GLU A HB2 4 ATOM 2168 H HB3 . GLU A 1 33 ? 11.617 28.180 37.777 1.00 0.00 ? 33 GLU A HB3 4 ATOM 2169 H HG2 . GLU A 1 33 ? 10.267 26.533 37.681 1.00 0.00 ? 33 GLU A HG2 4 ATOM 2170 H HG3 . GLU A 1 33 ? 9.038 27.697 37.087 1.00 0.00 ? 33 GLU A HG3 4 ATOM 2171 N N . ALA A 1 34 ? 12.492 31.094 37.540 1.00 0.00 ? 34 ALA A N 4 ATOM 2172 C CA . ALA A 1 34 ? 13.164 32.133 38.309 1.00 0.00 ? 34 ALA A CA 4 ATOM 2173 C C . ALA A 1 34 ? 13.047 33.512 37.664 1.00 0.00 ? 34 ALA A C 4 ATOM 2174 O O . ALA A 1 34 ? 12.261 34.366 38.072 1.00 0.00 ? 34 ALA A O 4 ATOM 2175 C CB . ALA A 1 34 ? 14.664 31.789 38.530 1.00 0.00 ? 34 ALA A CB 4 ATOM 2176 H H . ALA A 1 34 ? 12.992 30.731 36.760 1.00 0.00 ? 34 ALA A H 4 ATOM 2177 H HA . ALA A 1 34 ? 12.704 32.199 39.292 1.00 0.00 ? 34 ALA A HA 4 ATOM 2178 H HB1 . ALA A 1 34 ? 14.743 30.808 39.042 1.00 0.00 ? 34 ALA A HB1 4 ATOM 2179 H HB2 . ALA A 1 34 ? 15.243 31.703 37.586 1.00 0.00 ? 34 ALA A HB2 4 ATOM 2180 H HB3 . ALA A 1 34 ? 15.158 32.536 39.188 1.00 0.00 ? 34 ALA A HB3 4 ATOM 2181 N N . VAL A 1 35 ? 13.922 33.726 36.642 1.00 0.00 ? 35 VAL A N 4 ATOM 2182 C CA . VAL A 1 35 ? 14.123 34.926 35.844 1.00 0.00 ? 35 VAL A CA 4 ATOM 2183 C C . VAL A 1 35 ? 14.788 34.410 34.575 1.00 0.00 ? 35 VAL A C 4 ATOM 2184 O O . VAL A 1 35 ? 14.379 34.742 33.465 1.00 0.00 ? 35 VAL A O 4 ATOM 2185 C CB . VAL A 1 35 ? 14.994 36.062 36.466 1.00 0.00 ? 35 VAL A CB 4 ATOM 2186 C CG1 . VAL A 1 35 ? 15.350 37.172 35.434 1.00 0.00 ? 35 VAL A CG1 4 ATOM 2187 C CG2 . VAL A 1 35 ? 14.244 36.730 37.639 1.00 0.00 ? 35 VAL A CG2 4 ATOM 2188 H H . VAL A 1 35 ? 14.433 32.939 36.315 1.00 0.00 ? 35 VAL A H 4 ATOM 2189 H HA . VAL A 1 35 ? 13.158 35.317 35.551 1.00 0.00 ? 35 VAL A HA 4 ATOM 2190 H HB . VAL A 1 35 ? 15.942 35.647 36.868 1.00 0.00 ? 35 VAL A HB 4 ATOM 2191 H HG11 . VAL A 1 35 ? 14.429 37.574 34.960 1.00 0.00 ? 35 VAL A HG11 4 ATOM 2192 H HG12 . VAL A 1 35 ? 15.866 38.012 35.950 1.00 0.00 ? 35 VAL A HG12 4 ATOM 2193 H HG13 . VAL A 1 35 ? 16.036 36.826 34.630 1.00 0.00 ? 35 VAL A HG13 4 ATOM 2194 H HG21 . VAL A 1 35 ? 13.236 37.063 37.318 1.00 0.00 ? 35 VAL A HG21 4 ATOM 2195 H HG22 . VAL A 1 35 ? 14.122 36.023 38.483 1.00 0.00 ? 35 VAL A HG22 4 ATOM 2196 H HG23 . VAL A 1 35 ? 14.792 37.619 38.021 1.00 0.00 ? 35 VAL A HG23 4 ATOM 2197 N N . ASN A 1 36 ? 15.879 33.611 34.715 1.00 0.00 ? 36 ASN A N 4 ATOM 2198 C CA . ASN A 1 36 ? 16.713 33.188 33.595 1.00 0.00 ? 36 ASN A CA 4 ATOM 2199 C C . ASN A 1 36 ? 17.015 31.721 33.788 1.00 0.00 ? 36 ASN A C 4 ATOM 2200 O O . ASN A 1 36 ? 16.335 30.878 33.233 1.00 0.00 ? 36 ASN A O 4 ATOM 2201 C CB . ASN A 1 36 ? 17.988 34.084 33.461 1.00 0.00 ? 36 ASN A CB 4 ATOM 2202 C CG . ASN A 1 36 ? 18.981 33.608 32.397 1.00 0.00 ? 36 ASN A CG 4 ATOM 2203 O OD1 . ASN A 1 36 ? 20.045 33.135 32.779 1.00 0.00 ? 36 ASN A OD1 4 ATOM 2204 N ND2 . ASN A 1 36 ? 18.668 33.684 31.086 1.00 0.00 ? 36 ASN A ND2 4 ATOM 2205 H H . ASN A 1 36 ? 16.233 33.363 35.609 1.00 0.00 ? 36 ASN A H 4 ATOM 2206 H HA . ASN A 1 36 ? 16.168 33.232 32.658 1.00 0.00 ? 36 ASN A HA 4 ATOM 2207 H HB2 . ASN A 1 36 ? 17.651 35.107 33.196 1.00 0.00 ? 36 ASN A HB2 4 ATOM 2208 H HB3 . ASN A 1 36 ? 18.523 34.154 34.431 1.00 0.00 ? 36 ASN A HB3 4 ATOM 2209 H HD21 . ASN A 1 36 ? 17.791 34.066 30.798 1.00 0.00 ? 36 ASN A HD21 4 ATOM 2210 H HD22 . ASN A 1 36 ? 19.301 33.277 30.431 1.00 0.00 ? 36 ASN A HD22 4 ATOM 2211 N N . LEU A 1 37 ? 18.085 31.366 34.537 1.00 0.00 ? 37 LEU A N 4 ATOM 2212 C CA . LEU A 1 37 ? 18.485 29.986 34.839 1.00 0.00 ? 37 LEU A CA 4 ATOM 2213 C C . LEU A 1 37 ? 18.975 29.202 33.611 1.00 0.00 ? 37 LEU A C 4 ATOM 2214 O O . LEU A 1 37 ? 18.612 28.041 33.421 1.00 0.00 ? 37 LEU A O 4 ATOM 2215 C CB . LEU A 1 37 ? 17.359 29.193 35.612 1.00 0.00 ? 37 LEU A CB 4 ATOM 2216 C CG . LEU A 1 37 ? 17.713 28.468 36.938 1.00 0.00 ? 37 LEU A CG 4 ATOM 2217 C CD1 . LEU A 1 37 ? 18.489 27.143 36.783 1.00 0.00 ? 37 LEU A CD1 4 ATOM 2218 C CD2 . LEU A 1 37 ? 18.354 29.420 37.960 1.00 0.00 ? 37 LEU A CD2 4 ATOM 2219 H H . LEU A 1 37 ? 18.686 32.067 34.913 1.00 0.00 ? 37 LEU A H 4 ATOM 2220 H HA . LEU A 1 37 ? 19.344 30.081 35.487 1.00 0.00 ? 37 LEU A HA 4 ATOM 2221 H HB2 . LEU A 1 37 ? 16.622 29.955 35.936 1.00 0.00 ? 37 LEU A HB2 4 ATOM 2222 H HB3 . LEU A 1 37 ? 16.776 28.515 34.943 1.00 0.00 ? 37 LEU A HB3 4 ATOM 2223 H HG . LEU A 1 37 ? 16.733 28.179 37.374 1.00 0.00 ? 37 LEU A HG 4 ATOM 2224 H HD11 . LEU A 1 37 ? 17.944 26.468 36.086 1.00 0.00 ? 37 LEU A HD11 4 ATOM 2225 H HD12 . LEU A 1 37 ? 19.505 27.312 36.369 1.00 0.00 ? 37 LEU A HD12 4 ATOM 2226 H HD13 . LEU A 1 37 ? 18.580 26.627 37.763 1.00 0.00 ? 37 LEU A HD13 4 ATOM 2227 H HD21 . LEU A 1 37 ? 17.718 30.318 38.118 1.00 0.00 ? 37 LEU A HD21 4 ATOM 2228 H HD22 . LEU A 1 37 ? 18.470 28.903 38.934 1.00 0.00 ? 37 LEU A HD22 4 ATOM 2229 H HD23 . LEU A 1 37 ? 19.363 29.741 37.624 1.00 0.00 ? 37 LEU A HD23 4 ATOM 2230 N N . LYS A 1 38 ? 19.783 29.817 32.706 1.00 0.00 ? 38 LYS A N 4 ATOM 2231 C CA . LYS A 1 38 ? 20.102 29.180 31.441 1.00 0.00 ? 38 LYS A CA 4 ATOM 2232 C C . LYS A 1 38 ? 21.511 29.596 31.027 1.00 0.00 ? 38 LYS A C 4 ATOM 2233 O O . LYS A 1 38 ? 22.266 28.709 30.546 1.00 0.00 ? 38 LYS A O 4 ATOM 2234 C CB . LYS A 1 38 ? 19.101 29.577 30.315 1.00 0.00 ? 38 LYS A CB 4 ATOM 2235 C CG . LYS A 1 38 ? 19.279 28.876 28.945 1.00 0.00 ? 38 LYS A CG 4 ATOM 2236 C CD . LYS A 1 38 ? 19.768 29.765 27.774 1.00 0.00 ? 38 LYS A CD 4 ATOM 2237 C CE . LYS A 1 38 ? 21.237 30.230 27.819 1.00 0.00 ? 38 LYS A CE 4 ATOM 2238 N NZ . LYS A 1 38 ? 22.148 29.083 28.030 1.00 0.00 ? 38 LYS A NZ 4 ATOM 2239 O OXT . LYS A 1 38 ? 21.813 30.815 31.060 1.00 0.00 ? 38 LYS A OXT 4 ATOM 2240 H H . LYS A 1 38 ? 20.168 30.744 32.794 1.00 0.00 ? 38 LYS A H 4 ATOM 2241 H HA . LYS A 1 38 ? 20.122 28.101 31.544 1.00 0.00 ? 38 LYS A HA 4 ATOM 2242 H HB2 . LYS A 1 38 ? 18.090 29.277 30.672 1.00 0.00 ? 38 LYS A HB2 4 ATOM 2243 H HB3 . LYS A 1 38 ? 19.082 30.685 30.204 1.00 0.00 ? 38 LYS A HB3 4 ATOM 2244 H HG2 . LYS A 1 38 ? 19.870 27.940 29.061 1.00 0.00 ? 38 LYS A HG2 4 ATOM 2245 H HG3 . LYS A 1 38 ? 18.251 28.556 28.651 1.00 0.00 ? 38 LYS A HG3 4 ATOM 2246 H HD2 . LYS A 1 38 ? 19.602 29.197 26.828 1.00 0.00 ? 38 LYS A HD2 4 ATOM 2247 H HD3 . LYS A 1 38 ? 19.132 30.678 27.732 1.00 0.00 ? 38 LYS A HD3 4 ATOM 2248 H HE2 . LYS A 1 38 ? 21.527 30.710 26.860 1.00 0.00 ? 38 LYS A HE2 4 ATOM 2249 H HE3 . LYS A 1 38 ? 21.407 30.963 28.638 1.00 0.00 ? 38 LYS A HE3 4 ATOM 2250 H HZ1 . LYS A 1 38 ? 21.748 28.224 27.608 1.00 0.00 ? 38 LYS A HZ1 4 ATOM 2251 H HZ2 . LYS A 1 38 ? 23.096 29.283 27.666 1.00 0.00 ? 38 LYS A HZ2 4 ATOM 2252 H HZ3 . LYS A 1 38 ? 22.227 28.931 29.098 1.00 0.00 ? 38 LYS A HZ3 4 ATOM 2253 N N . GLU A 1 1 ? -0.064 12.067 -5.271 1.00 0.00 ? 1 GLU A N 5 ATOM 2254 C CA . GLU A 1 1 ? 1.233 11.670 -5.846 1.00 0.00 ? 1 GLU A CA 5 ATOM 2255 C C . GLU A 1 1 ? 0.869 10.417 -6.588 1.00 0.00 ? 1 GLU A C 5 ATOM 2256 O O . GLU A 1 1 ? -0.315 10.240 -6.889 1.00 0.00 ? 1 GLU A O 5 ATOM 2257 C CB . GLU A 1 1 ? 2.299 11.520 -4.720 1.00 0.00 ? 1 GLU A CB 5 ATOM 2258 C CG . GLU A 1 1 ? 1.917 10.595 -3.532 1.00 0.00 ? 1 GLU A CG 5 ATOM 2259 C CD . GLU A 1 1 ? 2.671 9.288 -3.661 1.00 0.00 ? 1 GLU A CD 5 ATOM 2260 O OE1 . GLU A 1 1 ? 3.907 9.288 -3.425 1.00 0.00 ? 1 GLU A OE1 5 ATOM 2261 O OE2 . GLU A 1 1 ? 2.031 8.277 -4.050 1.00 0.00 ? 1 GLU A OE2 5 ATOM 2262 H H1 . GLU A 1 1 ? -0.775 11.581 -5.870 1.00 0.00 ? 1 GLU A H1 5 ATOM 2263 H H2 . GLU A 1 1 ? -0.128 11.706 -4.298 1.00 0.00 ? 1 GLU A H2 5 ATOM 2264 H H3 . GLU A 1 1 ? -0.197 13.096 -5.296 1.00 0.00 ? 1 GLU A H3 5 ATOM 2265 H HA . GLU A 1 1 ? 1.520 12.415 -6.576 1.00 0.00 ? 1 GLU A HA 5 ATOM 2266 H HB2 . GLU A 1 1 ? 3.292 11.232 -5.143 1.00 0.00 ? 1 GLU A HB2 5 ATOM 2267 H HB3 . GLU A 1 1 ? 2.455 12.526 -4.275 1.00 0.00 ? 1 GLU A HB3 5 ATOM 2268 H HG2 . GLU A 1 1 ? 2.231 11.052 -2.572 1.00 0.00 ? 1 GLU A HG2 5 ATOM 2269 H HG3 . GLU A 1 1 ? 0.834 10.363 -3.463 1.00 0.00 ? 1 GLU A HG3 5 ATOM 2270 N N . ALA A 1 2 ? 1.846 9.540 -6.900 1.00 0.00 ? 2 ALA A N 5 ATOM 2271 C CA . ALA A 1 2 ? 1.594 8.291 -7.578 1.00 0.00 ? 2 ALA A CA 5 ATOM 2272 C C . ALA A 1 2 ? 2.854 7.497 -7.413 1.00 0.00 ? 2 ALA A C 5 ATOM 2273 O O . ALA A 1 2 ? 3.526 7.183 -8.390 1.00 0.00 ? 2 ALA A O 5 ATOM 2274 C CB . ALA A 1 2 ? 1.267 8.445 -9.094 1.00 0.00 ? 2 ALA A CB 5 ATOM 2275 H H . ALA A 1 2 ? 2.789 9.666 -6.596 1.00 0.00 ? 2 ALA A H 5 ATOM 2276 H HA . ALA A 1 2 ? 0.797 7.756 -7.073 1.00 0.00 ? 2 ALA A HA 5 ATOM 2277 H HB1 . ALA A 1 2 ? 2.061 9.001 -9.638 1.00 0.00 ? 2 ALA A HB1 5 ATOM 2278 H HB2 . ALA A 1 2 ? 1.133 7.457 -9.587 1.00 0.00 ? 2 ALA A HB2 5 ATOM 2279 H HB3 . ALA A 1 2 ? 0.316 9.005 -9.220 1.00 0.00 ? 2 ALA A HB3 5 ATOM 2280 N N . TYR A 1 3 ? 3.218 7.170 -6.154 1.00 0.00 ? 3 TYR A N 5 ATOM 2281 C CA . TYR A 1 3 ? 4.350 6.322 -5.844 1.00 0.00 ? 3 TYR A CA 5 ATOM 2282 C C . TYR A 1 3 ? 3.842 5.358 -4.795 1.00 0.00 ? 3 TYR A C 5 ATOM 2283 O O . TYR A 1 3 ? 2.677 4.962 -4.810 1.00 0.00 ? 3 TYR A O 5 ATOM 2284 C CB . TYR A 1 3 ? 5.606 7.144 -5.372 1.00 0.00 ? 3 TYR A CB 5 ATOM 2285 C CG . TYR A 1 3 ? 6.915 6.398 -5.544 1.00 0.00 ? 3 TYR A CG 5 ATOM 2286 C CD1 . TYR A 1 3 ? 7.269 5.832 -6.785 1.00 0.00 ? 3 TYR A CD1 5 ATOM 2287 C CD2 . TYR A 1 3 ? 7.811 6.261 -4.466 1.00 0.00 ? 3 TYR A CD2 5 ATOM 2288 C CE1 . TYR A 1 3 ? 8.475 5.132 -6.943 1.00 0.00 ? 3 TYR A CE1 5 ATOM 2289 C CE2 . TYR A 1 3 ? 9.014 5.549 -4.610 1.00 0.00 ? 3 TYR A CE2 5 ATOM 2290 C CZ . TYR A 1 3 ? 9.349 4.983 -5.854 1.00 0.00 ? 3 TYR A CZ 5 ATOM 2291 O OH . TYR A 1 3 ? 10.553 4.260 -6.020 1.00 0.00 ? 3 TYR A OH 5 ATOM 2292 H H . TYR A 1 3 ? 2.687 7.488 -5.331 1.00 0.00 ? 3 TYR A H 5 ATOM 2293 H HA . TYR A 1 3 ? 4.599 5.720 -6.710 1.00 0.00 ? 3 TYR A HA 5 ATOM 2294 H HB2 . TYR A 1 3 ? 5.684 8.041 -6.023 1.00 0.00 ? 3 TYR A HB2 5 ATOM 2295 H HB3 . TYR A 1 3 ? 5.500 7.517 -4.326 1.00 0.00 ? 3 TYR A HB3 5 ATOM 2296 H HD1 . TYR A 1 3 ? 6.610 5.927 -7.638 1.00 0.00 ? 3 TYR A HD1 5 ATOM 2297 H HD2 . TYR A 1 3 ? 7.565 6.681 -3.502 1.00 0.00 ? 3 TYR A HD2 5 ATOM 2298 H HE1 . TYR A 1 3 ? 8.723 4.699 -7.903 1.00 0.00 ? 3 TYR A HE1 5 ATOM 2299 H HE2 . TYR A 1 3 ? 9.662 5.438 -3.750 1.00 0.00 ? 3 TYR A HE2 5 ATOM 2300 H HH . TYR A 1 3 ? 10.959 4.138 -5.159 1.00 0.00 ? 3 TYR A HH 5 ATOM 2301 N N . LYS A 1 4 ? 4.724 4.939 -3.863 1.00 0.00 ? 4 LYS A N 5 ATOM 2302 C CA . LYS A 1 4 ? 4.465 3.933 -2.870 1.00 0.00 ? 4 LYS A CA 5 ATOM 2303 C C . LYS A 1 4 ? 5.487 4.344 -1.845 1.00 0.00 ? 4 LYS A C 5 ATOM 2304 O O . LYS A 1 4 ? 6.669 4.415 -2.167 1.00 0.00 ? 4 LYS A O 5 ATOM 2305 C CB . LYS A 1 4 ? 4.731 2.508 -3.465 1.00 0.00 ? 4 LYS A CB 5 ATOM 2306 C CG . LYS A 1 4 ? 3.887 1.349 -2.904 1.00 0.00 ? 4 LYS A CG 5 ATOM 2307 C CD . LYS A 1 4 ? 4.365 0.706 -1.594 1.00 0.00 ? 4 LYS A CD 5 ATOM 2308 C CE . LYS A 1 4 ? 3.409 -0.413 -1.134 1.00 0.00 ? 4 LYS A CE 5 ATOM 2309 N NZ . LYS A 1 4 ? 3.905 -1.115 0.075 1.00 0.00 ? 4 LYS A NZ 5 ATOM 2310 H H . LYS A 1 4 ? 5.666 5.277 -3.855 1.00 0.00 ? 4 LYS A H 5 ATOM 2311 H HA . LYS A 1 4 ? 3.458 4.046 -2.480 1.00 0.00 ? 4 LYS A HA 5 ATOM 2312 H HB2 . LYS A 1 4 ? 4.380 2.564 -4.519 1.00 0.00 ? 4 LYS A HB2 5 ATOM 2313 H HB3 . LYS A 1 4 ? 5.813 2.253 -3.531 1.00 0.00 ? 4 LYS A HB3 5 ATOM 2314 H HG2 . LYS A 1 4 ? 2.840 1.705 -2.797 1.00 0.00 ? 4 LYS A HG2 5 ATOM 2315 H HG3 . LYS A 1 4 ? 3.890 0.546 -3.675 1.00 0.00 ? 4 LYS A HG3 5 ATOM 2316 H HD2 . LYS A 1 4 ? 5.381 0.291 -1.781 1.00 0.00 ? 4 LYS A HD2 5 ATOM 2317 H HD3 . LYS A 1 4 ? 4.453 1.492 -0.811 1.00 0.00 ? 4 LYS A HD3 5 ATOM 2318 H HE2 . LYS A 1 4 ? 2.405 0.007 -0.900 1.00 0.00 ? 4 LYS A HE2 5 ATOM 2319 H HE3 . LYS A 1 4 ? 3.297 -1.173 -1.941 1.00 0.00 ? 4 LYS A HE3 5 ATOM 2320 H HZ1 . LYS A 1 4 ? 4.912 -1.353 -0.036 1.00 0.00 ? 4 LYS A HZ1 5 ATOM 2321 H HZ2 . LYS A 1 4 ? 3.776 -0.508 0.909 1.00 0.00 ? 4 LYS A HZ2 5 ATOM 2322 H HZ3 . LYS A 1 4 ? 3.362 -1.993 0.204 1.00 0.00 ? 4 LYS A HZ3 5 ATOM 2323 N N . LYS A 1 5 ? 5.070 4.709 -0.608 1.00 0.00 ? 5 LYS A N 5 ATOM 2324 C CA . LYS A 1 5 ? 5.930 5.309 0.401 1.00 0.00 ? 5 LYS A CA 5 ATOM 2325 C C . LYS A 1 5 ? 5.705 4.501 1.658 1.00 0.00 ? 5 LYS A C 5 ATOM 2326 O O . LYS A 1 5 ? 4.858 3.603 1.688 1.00 0.00 ? 5 LYS A O 5 ATOM 2327 C CB . LYS A 1 5 ? 5.626 6.826 0.681 1.00 0.00 ? 5 LYS A CB 5 ATOM 2328 C CG . LYS A 1 5 ? 6.057 7.829 -0.419 1.00 0.00 ? 5 LYS A CG 5 ATOM 2329 C CD . LYS A 1 5 ? 7.512 8.350 -0.348 1.00 0.00 ? 5 LYS A CD 5 ATOM 2330 C CE . LYS A 1 5 ? 7.758 9.496 -1.358 1.00 0.00 ? 5 LYS A CE 5 ATOM 2331 N NZ . LYS A 1 5 ? 9.141 10.078 -1.303 1.00 0.00 ? 5 LYS A NZ 5 ATOM 2332 H H . LYS A 1 5 ? 4.138 4.542 -0.297 1.00 0.00 ? 5 LYS A H 5 ATOM 2333 H HA . LYS A 1 5 ? 6.974 5.192 0.132 1.00 0.00 ? 5 LYS A HA 5 ATOM 2334 H HB2 . LYS A 1 5 ? 4.523 6.935 0.803 1.00 0.00 ? 5 LYS A HB2 5 ATOM 2335 H HB3 . LYS A 1 5 ? 6.096 7.194 1.623 1.00 0.00 ? 5 LYS A HB3 5 ATOM 2336 H HG2 . LYS A 1 5 ? 5.847 7.402 -1.425 1.00 0.00 ? 5 LYS A HG2 5 ATOM 2337 H HG3 . LYS A 1 5 ? 5.397 8.717 -0.301 1.00 0.00 ? 5 LYS A HG3 5 ATOM 2338 H HD2 . LYS A 1 5 ? 7.693 8.724 0.684 1.00 0.00 ? 5 LYS A HD2 5 ATOM 2339 H HD3 . LYS A 1 5 ? 8.200 7.500 -0.545 1.00 0.00 ? 5 LYS A HD3 5 ATOM 2340 H HE2 . LYS A 1 5 ? 7.576 9.138 -2.396 1.00 0.00 ? 5 LYS A HE2 5 ATOM 2341 H HE3 . LYS A 1 5 ? 7.044 10.326 -1.147 1.00 0.00 ? 5 LYS A HE3 5 ATOM 2342 H HZ1 . LYS A 1 5 ? 9.394 10.452 -0.362 1.00 0.00 ? 5 LYS A HZ1 5 ATOM 2343 H HZ2 . LYS A 1 5 ? 9.868 9.392 -1.601 1.00 0.00 ? 5 LYS A HZ2 5 ATOM 2344 H HZ3 . LYS A 1 5 ? 9.141 10.870 -1.978 1.00 0.00 ? 5 LYS A HZ3 5 ATOM 2345 N N . ALA A 1 6 ? 6.534 4.789 2.706 1.00 0.00 ? 6 ALA A N 5 ATOM 2346 C CA . ALA A 1 6 ? 6.553 4.176 4.026 1.00 0.00 ? 6 ALA A CA 5 ATOM 2347 C C . ALA A 1 6 ? 5.681 4.924 5.021 1.00 0.00 ? 6 ALA A C 5 ATOM 2348 O O . ALA A 1 6 ? 4.533 5.285 4.776 1.00 0.00 ? 6 ALA A O 5 ATOM 2349 C CB . ALA A 1 6 ? 8.012 4.081 4.560 1.00 0.00 ? 6 ALA A CB 5 ATOM 2350 H H . ALA A 1 6 ? 7.133 5.587 2.653 1.00 0.00 ? 6 ALA A H 5 ATOM 2351 H HA . ALA A 1 6 ? 6.155 3.171 3.944 1.00 0.00 ? 6 ALA A HA 5 ATOM 2352 H HB1 . ALA A 1 6 ? 8.632 3.565 3.795 1.00 0.00 ? 6 ALA A HB1 5 ATOM 2353 H HB2 . ALA A 1 6 ? 8.465 5.086 4.714 1.00 0.00 ? 6 ALA A HB2 5 ATOM 2354 H HB3 . ALA A 1 6 ? 8.100 3.486 5.497 1.00 0.00 ? 6 ALA A HB3 5 ATOM 2355 N N . LYS A 1 7 ? 6.274 5.210 6.207 1.00 0.00 ? 7 LYS A N 5 ATOM 2356 C CA . LYS A 1 7 ? 5.727 6.030 7.261 1.00 0.00 ? 7 LYS A CA 5 ATOM 2357 C C . LYS A 1 7 ? 6.384 7.394 7.159 1.00 0.00 ? 7 LYS A C 5 ATOM 2358 O O . LYS A 1 7 ? 7.429 7.680 7.739 1.00 0.00 ? 7 LYS A O 5 ATOM 2359 C CB . LYS A 1 7 ? 5.807 5.352 8.657 1.00 0.00 ? 7 LYS A CB 5 ATOM 2360 C CG . LYS A 1 7 ? 7.186 4.927 9.195 1.00 0.00 ? 7 LYS A CG 5 ATOM 2361 C CD . LYS A 1 7 ? 7.062 3.835 10.274 1.00 0.00 ? 7 LYS A CD 5 ATOM 2362 C CE . LYS A 1 7 ? 7.415 2.419 9.790 1.00 0.00 ? 7 LYS A CE 5 ATOM 2363 N NZ . LYS A 1 7 ? 8.880 2.273 9.594 1.00 0.00 ? 7 LYS A NZ 5 ATOM 2364 H H . LYS A 1 7 ? 7.223 4.953 6.336 1.00 0.00 ? 7 LYS A H 5 ATOM 2365 H HA . LYS A 1 7 ? 4.664 6.183 7.087 1.00 0.00 ? 7 LYS A HA 5 ATOM 2366 H HB2 . LYS A 1 7 ? 5.307 5.992 9.422 1.00 0.00 ? 7 LYS A HB2 5 ATOM 2367 H HB3 . LYS A 1 7 ? 5.210 4.419 8.557 1.00 0.00 ? 7 LYS A HB3 5 ATOM 2368 H HG2 . LYS A 1 7 ? 7.858 4.607 8.375 1.00 0.00 ? 7 LYS A HG2 5 ATOM 2369 H HG3 . LYS A 1 7 ? 7.639 5.832 9.660 1.00 0.00 ? 7 LYS A HG3 5 ATOM 2370 H HD2 . LYS A 1 7 ? 7.668 4.106 11.166 1.00 0.00 ? 7 LYS A HD2 5 ATOM 2371 H HD3 . LYS A 1 7 ? 6.004 3.830 10.617 1.00 0.00 ? 7 LYS A HD3 5 ATOM 2372 H HE2 . LYS A 1 7 ? 7.105 1.666 10.547 1.00 0.00 ? 7 LYS A HE2 5 ATOM 2373 H HE3 . LYS A 1 7 ? 6.913 2.188 8.823 1.00 0.00 ? 7 LYS A HE3 5 ATOM 2374 H HZ1 . LYS A 1 7 ? 9.350 3.124 9.965 1.00 0.00 ? 7 LYS A HZ1 5 ATOM 2375 H HZ2 . LYS A 1 7 ? 9.230 1.426 10.091 1.00 0.00 ? 7 LYS A HZ2 5 ATOM 2376 H HZ3 . LYS A 1 7 ? 9.088 2.194 8.578 1.00 0.00 ? 7 LYS A HZ3 5 ATOM 2377 N N . GLN A 1 8 ? 5.726 8.251 6.341 1.00 0.00 ? 8 GLN A N 5 ATOM 2378 C CA . GLN A 1 8 ? 5.989 9.662 6.160 1.00 0.00 ? 8 GLN A CA 5 ATOM 2379 C C . GLN A 1 8 ? 4.696 10.302 6.602 1.00 0.00 ? 8 GLN A C 5 ATOM 2380 O O . GLN A 1 8 ? 4.565 10.679 7.760 1.00 0.00 ? 8 GLN A O 5 ATOM 2381 C CB . GLN A 1 8 ? 6.362 10.091 4.688 1.00 0.00 ? 8 GLN A CB 5 ATOM 2382 C CG . GLN A 1 8 ? 7.863 10.015 4.311 1.00 0.00 ? 8 GLN A CG 5 ATOM 2383 C CD . GLN A 1 8 ? 8.427 8.594 4.355 1.00 0.00 ? 8 GLN A CD 5 ATOM 2384 O OE1 . GLN A 1 8 ? 7.903 7.671 3.732 1.00 0.00 ? 8 GLN A OE1 5 ATOM 2385 N NE2 . GLN A 1 8 ? 9.551 8.406 5.086 1.00 0.00 ? 8 GLN A NE2 5 ATOM 2386 H H . GLN A 1 8 ? 4.949 7.899 5.822 1.00 0.00 ? 8 GLN A H 5 ATOM 2387 H HA . GLN A 1 8 ? 6.758 10.009 6.846 1.00 0.00 ? 8 GLN A HA 5 ATOM 2388 H HB2 . GLN A 1 8 ? 5.773 9.509 3.945 1.00 0.00 ? 8 GLN A HB2 5 ATOM 2389 H HB3 . GLN A 1 8 ? 6.124 11.168 4.526 1.00 0.00 ? 8 GLN A HB3 5 ATOM 2390 H HG2 . GLN A 1 8 ? 7.979 10.366 3.264 1.00 0.00 ? 8 GLN A HG2 5 ATOM 2391 H HG3 . GLN A 1 8 ? 8.441 10.707 4.965 1.00 0.00 ? 8 GLN A HG3 5 ATOM 2392 H HE21 . GLN A 1 8 ? 9.873 9.114 5.717 1.00 0.00 ? 8 GLN A HE21 5 ATOM 2393 H HE22 . GLN A 1 8 ? 9.972 7.501 5.102 1.00 0.00 ? 8 GLN A HE22 5 ATOM 2394 N N . ALA A 1 9 ? 3.675 10.431 5.707 1.00 0.00 ? 9 ALA A N 5 ATOM 2395 C CA . ALA A 1 9 ? 2.533 11.336 5.868 1.00 0.00 ? 9 ALA A CA 5 ATOM 2396 C C . ALA A 1 9 ? 1.411 10.737 6.700 1.00 0.00 ? 9 ALA A C 5 ATOM 2397 O O . ALA A 1 9 ? 0.478 10.122 6.183 1.00 0.00 ? 9 ALA A O 5 ATOM 2398 C CB . ALA A 1 9 ? 1.963 11.764 4.489 1.00 0.00 ? 9 ALA A CB 5 ATOM 2399 H H . ALA A 1 9 ? 3.705 9.953 4.835 1.00 0.00 ? 9 ALA A H 5 ATOM 2400 H HA . ALA A 1 9 ? 2.883 12.236 6.360 1.00 0.00 ? 9 ALA A HA 5 ATOM 2401 H HB1 . ALA A 1 9 ? 2.768 12.219 3.870 1.00 0.00 ? 9 ALA A HB1 5 ATOM 2402 H HB2 . ALA A 1 9 ? 1.557 10.899 3.918 1.00 0.00 ? 9 ALA A HB2 5 ATOM 2403 H HB3 . ALA A 1 9 ? 1.151 12.518 4.595 1.00 0.00 ? 9 ALA A HB3 5 ATOM 2404 N N . SER A 1 10 ? 1.525 10.861 8.031 1.00 0.00 ? 10 SER A N 5 ATOM 2405 C CA . SER A 1 10 ? 0.764 10.150 9.018 1.00 0.00 ? 10 SER A CA 5 ATOM 2406 C C . SER A 1 10 ? 1.464 10.688 10.236 1.00 0.00 ? 10 SER A C 5 ATOM 2407 O O . SER A 1 10 ? 1.950 11.821 10.184 1.00 0.00 ? 10 SER A O 5 ATOM 2408 C CB . SER A 1 10 ? 0.845 8.583 8.912 1.00 0.00 ? 10 SER A CB 5 ATOM 2409 O OG . SER A 1 10 ? 0.045 8.079 7.839 1.00 0.00 ? 10 SER A OG 5 ATOM 2410 H H . SER A 1 10 ? 2.234 11.430 8.458 1.00 0.00 ? 10 SER A H 5 ATOM 2411 H HA . SER A 1 10 ? -0.253 10.525 9.020 1.00 0.00 ? 10 SER A HA 5 ATOM 2412 H HB2 . SER A 1 10 ? 1.906 8.274 8.761 1.00 0.00 ? 10 SER A HB2 5 ATOM 2413 H HB3 . SER A 1 10 ? 0.477 8.084 9.834 1.00 0.00 ? 10 SER A HB3 5 ATOM 2414 H HG . SER A 1 10 ? 0.099 8.730 7.107 1.00 0.00 ? 10 SER A HG 5 ATOM 2415 N N . GLN A 1 11 ? 1.604 9.898 11.342 1.00 0.00 ? 11 GLN A N 5 ATOM 2416 C CA . GLN A 1 11 ? 2.013 10.321 12.680 1.00 0.00 ? 11 GLN A CA 5 ATOM 2417 C C . GLN A 1 11 ? 3.478 10.697 12.789 1.00 0.00 ? 11 GLN A C 5 ATOM 2418 O O . GLN A 1 11 ? 3.842 11.571 13.569 1.00 0.00 ? 11 GLN A O 5 ATOM 2419 C CB . GLN A 1 11 ? 1.578 9.300 13.777 1.00 0.00 ? 11 GLN A CB 5 ATOM 2420 C CG . GLN A 1 11 ? 2.036 7.829 13.595 1.00 0.00 ? 11 GLN A CG 5 ATOM 2421 C CD . GLN A 1 11 ? 1.156 6.939 14.490 1.00 0.00 ? 11 GLN A CD 5 ATOM 2422 O OE1 . GLN A 1 11 ? -0.057 6.981 14.318 1.00 0.00 ? 11 GLN A OE1 5 ATOM 2423 N NE2 . GLN A 1 11 ? 1.714 6.136 15.433 1.00 0.00 ? 11 GLN A NE2 5 ATOM 2424 H H . GLN A 1 11 ? 1.358 8.937 11.302 1.00 0.00 ? 11 GLN A H 5 ATOM 2425 H HA . GLN A 1 11 ? 1.467 11.226 12.910 1.00 0.00 ? 11 GLN A HA 5 ATOM 2426 H HB2 . GLN A 1 11 ? 1.864 9.646 14.797 1.00 0.00 ? 11 GLN A HB2 5 ATOM 2427 H HB3 . GLN A 1 11 ? 0.466 9.304 13.744 1.00 0.00 ? 11 GLN A HB3 5 ATOM 2428 H HG2 . GLN A 1 11 ? 1.877 7.487 12.550 1.00 0.00 ? 11 GLN A HG2 5 ATOM 2429 H HG3 . GLN A 1 11 ? 3.114 7.699 13.837 1.00 0.00 ? 11 GLN A HG3 5 ATOM 2430 H HE21 . GLN A 1 11 ? 2.705 6.103 15.549 1.00 0.00 ? 11 GLN A HE21 5 ATOM 2431 H HE22 . GLN A 1 11 ? 1.119 5.563 15.996 1.00 0.00 ? 11 GLN A HE22 5 ATOM 2432 N N . ASP A 1 12 ? 4.335 10.123 11.911 1.00 0.00 ? 12 ASP A N 5 ATOM 2433 C CA . ASP A 1 12 ? 5.751 10.415 11.737 1.00 0.00 ? 12 ASP A CA 5 ATOM 2434 C C . ASP A 1 12 ? 6.012 11.713 10.989 1.00 0.00 ? 12 ASP A C 5 ATOM 2435 O O . ASP A 1 12 ? 7.086 12.292 11.110 1.00 0.00 ? 12 ASP A O 5 ATOM 2436 C CB . ASP A 1 12 ? 6.493 9.297 10.947 1.00 0.00 ? 12 ASP A CB 5 ATOM 2437 C CG . ASP A 1 12 ? 6.309 7.925 11.581 1.00 0.00 ? 12 ASP A CG 5 ATOM 2438 O OD1 . ASP A 1 12 ? 5.140 7.443 11.586 1.00 0.00 ? 12 ASP A OD1 5 ATOM 2439 O OD2 . ASP A 1 12 ? 7.321 7.299 11.987 1.00 0.00 ? 12 ASP A OD2 5 ATOM 2440 H H . ASP A 1 12 ? 4.059 9.308 11.401 1.00 0.00 ? 12 ASP A H 5 ATOM 2441 H HA . ASP A 1 12 ? 6.192 10.511 12.724 1.00 0.00 ? 12 ASP A HA 5 ATOM 2442 H HB2 . ASP A 1 12 ? 6.093 9.213 9.910 1.00 0.00 ? 12 ASP A HB2 5 ATOM 2443 H HB3 . ASP A 1 12 ? 7.586 9.497 10.888 1.00 0.00 ? 12 ASP A HB3 5 ATOM 2444 N N . ALA A 1 13 ? 5.005 12.261 10.254 1.00 0.00 ? 13 ALA A N 5 ATOM 2445 C CA . ALA A 1 13 ? 5.092 13.599 9.669 1.00 0.00 ? 13 ALA A CA 5 ATOM 2446 C C . ALA A 1 13 ? 4.443 14.587 10.602 1.00 0.00 ? 13 ALA A C 5 ATOM 2447 O O . ALA A 1 13 ? 4.837 15.749 10.663 1.00 0.00 ? 13 ALA A O 5 ATOM 2448 C CB . ALA A 1 13 ? 4.405 13.746 8.288 1.00 0.00 ? 13 ALA A CB 5 ATOM 2449 H H . ALA A 1 13 ? 4.131 11.783 10.156 1.00 0.00 ? 13 ALA A H 5 ATOM 2450 H HA . ALA A 1 13 ? 6.129 13.894 9.544 1.00 0.00 ? 13 ALA A HA 5 ATOM 2451 H HB1 . ALA A 1 13 ? 3.324 13.479 8.323 1.00 0.00 ? 13 ALA A HB1 5 ATOM 2452 H HB2 . ALA A 1 13 ? 4.500 14.779 7.878 1.00 0.00 ? 13 ALA A HB2 5 ATOM 2453 H HB3 . ALA A 1 13 ? 4.908 13.071 7.567 1.00 0.00 ? 13 ALA A HB3 5 ATOM 2454 N N . GLU A 1 14 ? 3.425 14.115 11.374 1.00 0.00 ? 14 GLU A N 5 ATOM 2455 C CA . GLU A 1 14 ? 2.544 14.915 12.209 1.00 0.00 ? 14 GLU A CA 5 ATOM 2456 C C . GLU A 1 14 ? 3.188 15.244 13.536 1.00 0.00 ? 14 GLU A C 5 ATOM 2457 O O . GLU A 1 14 ? 3.085 16.372 14.008 1.00 0.00 ? 14 GLU A O 5 ATOM 2458 C CB . GLU A 1 14 ? 1.152 14.246 12.461 1.00 0.00 ? 14 GLU A CB 5 ATOM 2459 C CG . GLU A 1 14 ? -0.045 15.168 12.130 1.00 0.00 ? 14 GLU A CG 5 ATOM 2460 C CD . GLU A 1 14 ? -1.259 14.760 12.956 1.00 0.00 ? 14 GLU A CD 5 ATOM 2461 O OE1 . GLU A 1 14 ? -1.141 14.943 14.199 1.00 0.00 ? 14 GLU A OE1 5 ATOM 2462 O OE2 . GLU A 1 14 ? -2.281 14.287 12.401 1.00 0.00 ? 14 GLU A OE2 5 ATOM 2463 H H . GLU A 1 14 ? 3.172 13.154 11.265 1.00 0.00 ? 14 GLU A H 5 ATOM 2464 H HA . GLU A 1 14 ? 2.369 15.855 11.693 1.00 0.00 ? 14 GLU A HA 5 ATOM 2465 H HB2 . GLU A 1 14 ? 1.025 13.391 11.769 1.00 0.00 ? 14 GLU A HB2 5 ATOM 2466 H HB3 . GLU A 1 14 ? 1.053 13.797 13.478 1.00 0.00 ? 14 GLU A HB3 5 ATOM 2467 H HG2 . GLU A 1 14 ? 0.196 16.216 12.396 1.00 0.00 ? 14 GLU A HG2 5 ATOM 2468 H HG3 . GLU A 1 14 ? -0.283 15.135 11.045 1.00 0.00 ? 14 GLU A HG3 5 ATOM 2469 N N . GLN A 1 15 ? 3.906 14.268 14.170 1.00 0.00 ? 15 GLN A N 5 ATOM 2470 C CA . GLN A 1 15 ? 4.579 14.416 15.457 1.00 0.00 ? 15 GLN A CA 5 ATOM 2471 C C . GLN A 1 15 ? 5.921 15.112 15.319 1.00 0.00 ? 15 GLN A C 5 ATOM 2472 O O . GLN A 1 15 ? 6.337 15.854 16.210 1.00 0.00 ? 15 GLN A O 5 ATOM 2473 C CB . GLN A 1 15 ? 4.743 13.050 16.194 1.00 0.00 ? 15 GLN A CB 5 ATOM 2474 C CG . GLN A 1 15 ? 4.530 13.063 17.726 1.00 0.00 ? 15 GLN A CG 5 ATOM 2475 C CD . GLN A 1 15 ? 5.798 13.396 18.523 1.00 0.00 ? 15 GLN A CD 5 ATOM 2476 O OE1 . GLN A 1 15 ? 6.478 12.471 18.964 1.00 0.00 ? 15 GLN A OE1 5 ATOM 2477 N NE2 . GLN A 1 15 ? 6.076 14.700 18.766 1.00 0.00 ? 15 GLN A NE2 5 ATOM 2478 H H . GLN A 1 15 ? 3.935 13.328 13.792 1.00 0.00 ? 15 GLN A H 5 ATOM 2479 H HA . GLN A 1 15 ? 3.957 15.043 16.088 1.00 0.00 ? 15 GLN A HA 5 ATOM 2480 H HB2 . GLN A 1 15 ? 3.925 12.399 15.820 1.00 0.00 ? 15 GLN A HB2 5 ATOM 2481 H HB3 . GLN A 1 15 ? 5.679 12.503 15.936 1.00 0.00 ? 15 GLN A HB3 5 ATOM 2482 H HG2 . GLN A 1 15 ? 3.698 13.734 18.031 1.00 0.00 ? 15 GLN A HG2 5 ATOM 2483 H HG3 . GLN A 1 15 ? 4.248 12.030 18.027 1.00 0.00 ? 15 GLN A HG3 5 ATOM 2484 H HE21 . GLN A 1 15 ? 5.776 15.418 18.135 1.00 0.00 ? 15 GLN A HE21 5 ATOM 2485 H HE22 . GLN A 1 15 ? 6.786 14.963 19.455 1.00 0.00 ? 15 GLN A HE22 5 ATOM 2486 N N . ALA A 1 16 ? 6.600 14.981 14.140 1.00 0.00 ? 16 ALA A N 5 ATOM 2487 C CA . ALA A 1 16 ? 7.903 15.586 13.851 1.00 0.00 ? 16 ALA A CA 5 ATOM 2488 C C . ALA A 1 16 ? 7.831 17.074 13.504 1.00 0.00 ? 16 ALA A C 5 ATOM 2489 O O . ALA A 1 16 ? 8.844 17.737 13.312 1.00 0.00 ? 16 ALA A O 5 ATOM 2490 C CB . ALA A 1 16 ? 8.640 14.832 12.709 1.00 0.00 ? 16 ALA A CB 5 ATOM 2491 H H . ALA A 1 16 ? 6.246 14.388 13.420 1.00 0.00 ? 16 ALA A H 5 ATOM 2492 H HA . ALA A 1 16 ? 8.523 15.504 14.737 1.00 0.00 ? 16 ALA A HA 5 ATOM 2493 H HB1 . ALA A 1 16 ? 8.703 13.750 12.956 1.00 0.00 ? 16 ALA A HB1 5 ATOM 2494 H HB2 . ALA A 1 16 ? 8.108 14.912 11.733 1.00 0.00 ? 16 ALA A HB2 5 ATOM 2495 H HB3 . ALA A 1 16 ? 9.681 15.204 12.569 1.00 0.00 ? 16 ALA A HB3 5 ATOM 2496 N N . ALA A 1 17 ? 6.587 17.628 13.445 1.00 0.00 ? 17 ALA A N 5 ATOM 2497 C CA . ALA A 1 17 ? 6.288 19.054 13.389 1.00 0.00 ? 17 ALA A CA 5 ATOM 2498 C C . ALA A 1 17 ? 6.117 19.650 14.776 1.00 0.00 ? 17 ALA A C 5 ATOM 2499 O O . ALA A 1 17 ? 6.385 20.827 15.005 1.00 0.00 ? 17 ALA A O 5 ATOM 2500 C CB . ALA A 1 17 ? 5.010 19.352 12.563 1.00 0.00 ? 17 ALA A CB 5 ATOM 2501 H H . ALA A 1 17 ? 5.799 17.017 13.494 1.00 0.00 ? 17 ALA A H 5 ATOM 2502 H HA . ALA A 1 17 ? 7.121 19.570 12.927 1.00 0.00 ? 17 ALA A HA 5 ATOM 2503 H HB1 . ALA A 1 17 ? 4.122 18.817 12.977 1.00 0.00 ? 17 ALA A HB1 5 ATOM 2504 H HB2 . ALA A 1 17 ? 4.778 20.443 12.506 1.00 0.00 ? 17 ALA A HB2 5 ATOM 2505 H HB3 . ALA A 1 17 ? 5.159 18.994 11.520 1.00 0.00 ? 17 ALA A HB3 5 ATOM 2506 N N . LYS A 1 18 ? 5.665 18.820 15.757 1.00 0.00 ? 18 LYS A N 5 ATOM 2507 C CA . LYS A 1 18 ? 5.317 19.187 17.126 1.00 0.00 ? 18 LYS A CA 5 ATOM 2508 C C . LYS A 1 18 ? 6.519 19.069 18.048 1.00 0.00 ? 18 LYS A C 5 ATOM 2509 O O . LYS A 1 18 ? 6.742 19.902 18.924 1.00 0.00 ? 18 LYS A O 5 ATOM 2510 C CB . LYS A 1 18 ? 4.144 18.321 17.673 1.00 0.00 ? 18 LYS A CB 5 ATOM 2511 C CG . LYS A 1 18 ? 2.889 18.381 16.778 1.00 0.00 ? 18 LYS A CG 5 ATOM 2512 C CD . LYS A 1 18 ? 1.854 17.291 17.091 1.00 0.00 ? 18 LYS A CD 5 ATOM 2513 C CE . LYS A 1 18 ? 0.669 17.246 16.108 1.00 0.00 ? 18 LYS A CE 5 ATOM 2514 N NZ . LYS A 1 18 ? -0.053 15.955 16.240 1.00 0.00 ? 18 LYS A NZ 5 ATOM 2515 H H . LYS A 1 18 ? 5.538 17.852 15.546 1.00 0.00 ? 18 LYS A H 5 ATOM 2516 H HA . LYS A 1 18 ? 4.992 20.222 17.145 1.00 0.00 ? 18 LYS A HA 5 ATOM 2517 H HB2 . LYS A 1 18 ? 4.452 17.252 17.721 1.00 0.00 ? 18 LYS A HB2 5 ATOM 2518 H HB3 . LYS A 1 18 ? 3.855 18.649 18.699 1.00 0.00 ? 18 LYS A HB3 5 ATOM 2519 H HG2 . LYS A 1 18 ? 2.437 19.392 16.866 1.00 0.00 ? 18 LYS A HG2 5 ATOM 2520 H HG3 . LYS A 1 18 ? 3.166 18.233 15.711 1.00 0.00 ? 18 LYS A HG3 5 ATOM 2521 H HD2 . LYS A 1 18 ? 2.404 16.328 17.027 1.00 0.00 ? 18 LYS A HD2 5 ATOM 2522 H HD3 . LYS A 1 18 ? 1.477 17.401 18.131 1.00 0.00 ? 18 LYS A HD3 5 ATOM 2523 H HE2 . LYS A 1 18 ? -0.046 18.084 16.259 1.00 0.00 ? 18 LYS A HE2 5 ATOM 2524 H HE3 . LYS A 1 18 ? 1.037 17.297 15.062 1.00 0.00 ? 18 LYS A HE3 5 ATOM 2525 H HZ1 . LYS A 1 18 ? 0.596 15.164 16.405 1.00 0.00 ? 18 LYS A HZ1 5 ATOM 2526 H HZ2 . LYS A 1 18 ? -0.761 15.977 16.992 1.00 0.00 ? 18 LYS A HZ2 5 ATOM 2527 H HZ3 . LYS A 1 18 ? -0.558 15.690 15.321 1.00 0.00 ? 18 LYS A HZ3 5 ATOM 2528 N N . ASP A 1 19 ? 7.394 18.044 17.811 1.00 0.00 ? 19 ASP A N 5 ATOM 2529 C CA . ASP A 1 19 ? 8.634 17.774 18.576 1.00 0.00 ? 19 ASP A CA 5 ATOM 2530 C C . ASP A 1 19 ? 9.772 18.675 18.140 1.00 0.00 ? 19 ASP A C 5 ATOM 2531 O O . ASP A 1 19 ? 10.822 18.782 18.768 1.00 0.00 ? 19 ASP A O 5 ATOM 2532 C CB . ASP A 1 19 ? 9.114 16.276 18.498 1.00 0.00 ? 19 ASP A CB 5 ATOM 2533 C CG . ASP A 1 19 ? 9.052 15.679 19.902 1.00 0.00 ? 19 ASP A CG 5 ATOM 2534 O OD1 . ASP A 1 19 ? 7.926 15.744 20.474 1.00 0.00 ? 19 ASP A OD1 5 ATOM 2535 O OD2 . ASP A 1 19 ? 10.083 15.179 20.421 1.00 0.00 ? 19 ASP A OD2 5 ATOM 2536 H H . ASP A 1 19 ? 7.164 17.367 17.109 1.00 0.00 ? 19 ASP A H 5 ATOM 2537 H HA . ASP A 1 19 ? 8.445 18.034 19.609 1.00 0.00 ? 19 ASP A HA 5 ATOM 2538 H HB2 . ASP A 1 19 ? 8.437 15.691 17.844 1.00 0.00 ? 19 ASP A HB2 5 ATOM 2539 H HB3 . ASP A 1 19 ? 10.151 16.110 18.120 1.00 0.00 ? 19 ASP A HB3 5 ATOM 2540 N N . ALA A 1 20 ? 9.499 19.402 17.032 1.00 0.00 ? 20 ALA A N 5 ATOM 2541 C CA . ALA A 1 20 ? 10.314 20.424 16.423 1.00 0.00 ? 20 ALA A CA 5 ATOM 2542 C C . ALA A 1 20 ? 10.105 21.776 17.087 1.00 0.00 ? 20 ALA A C 5 ATOM 2543 O O . ALA A 1 20 ? 11.055 22.550 17.153 1.00 0.00 ? 20 ALA A O 5 ATOM 2544 C CB . ALA A 1 20 ? 10.036 20.519 14.899 1.00 0.00 ? 20 ALA A CB 5 ATOM 2545 H H . ALA A 1 20 ? 8.615 19.233 16.606 1.00 0.00 ? 20 ALA A H 5 ATOM 2546 H HA . ALA A 1 20 ? 11.357 20.159 16.550 1.00 0.00 ? 20 ALA A HA 5 ATOM 2547 H HB1 . ALA A 1 20 ? 10.156 19.506 14.458 1.00 0.00 ? 20 ALA A HB1 5 ATOM 2548 H HB2 . ALA A 1 20 ? 8.998 20.855 14.675 1.00 0.00 ? 20 ALA A HB2 5 ATOM 2549 H HB3 . ALA A 1 20 ? 10.745 21.201 14.380 1.00 0.00 ? 20 ALA A HB3 5 ATOM 2550 N N . GLU A 1 21 ? 8.873 22.086 17.611 1.00 0.00 ? 21 GLU A N 5 ATOM 2551 C CA . GLU A 1 21 ? 8.566 23.332 18.336 1.00 0.00 ? 21 GLU A CA 5 ATOM 2552 C C . GLU A 1 21 ? 8.797 23.183 19.822 1.00 0.00 ? 21 GLU A C 5 ATOM 2553 O O . GLU A 1 21 ? 9.176 24.135 20.507 1.00 0.00 ? 21 GLU A O 5 ATOM 2554 C CB . GLU A 1 21 ? 7.167 23.965 18.019 1.00 0.00 ? 21 GLU A CB 5 ATOM 2555 C CG . GLU A 1 21 ? 5.882 23.086 18.057 1.00 0.00 ? 21 GLU A CG 5 ATOM 2556 C CD . GLU A 1 21 ? 5.129 23.097 19.397 1.00 0.00 ? 21 GLU A CD 5 ATOM 2557 O OE1 . GLU A 1 21 ? 5.635 23.689 20.385 1.00 0.00 ? 21 GLU A OE1 5 ATOM 2558 O OE2 . GLU A 1 21 ? 4.000 22.530 19.427 1.00 0.00 ? 21 GLU A OE2 5 ATOM 2559 H H . GLU A 1 21 ? 8.121 21.428 17.565 1.00 0.00 ? 21 GLU A H 5 ATOM 2560 H HA . GLU A 1 21 ? 9.270 24.097 18.026 1.00 0.00 ? 21 GLU A HA 5 ATOM 2561 H HB2 . GLU A 1 21 ? 6.998 24.902 18.600 1.00 0.00 ? 21 GLU A HB2 5 ATOM 2562 H HB3 . GLU A 1 21 ? 7.241 24.266 16.954 1.00 0.00 ? 21 GLU A HB3 5 ATOM 2563 H HG2 . GLU A 1 21 ? 5.173 23.506 17.314 1.00 0.00 ? 21 GLU A HG2 5 ATOM 2564 H HG3 . GLU A 1 21 ? 6.101 22.046 17.757 1.00 0.00 ? 21 GLU A HG3 5 ATOM 2565 N N . ASN A 1 22 ? 8.702 21.915 20.327 1.00 0.00 ? 22 ASN A N 5 ATOM 2566 C CA . ASN A 1 22 ? 8.880 21.518 21.730 1.00 0.00 ? 22 ASN A CA 5 ATOM 2567 C C . ASN A 1 22 ? 10.339 21.447 22.151 1.00 0.00 ? 22 ASN A C 5 ATOM 2568 O O . ASN A 1 22 ? 10.677 21.177 23.299 1.00 0.00 ? 22 ASN A O 5 ATOM 2569 C CB . ASN A 1 22 ? 8.187 20.158 22.080 1.00 0.00 ? 22 ASN A CB 5 ATOM 2570 C CG . ASN A 1 22 ? 6.717 20.438 22.379 1.00 0.00 ? 22 ASN A CG 5 ATOM 2571 O OD1 . ASN A 1 22 ? 6.453 21.087 23.389 1.00 0.00 ? 22 ASN A OD1 5 ATOM 2572 N ND2 . ASN A 1 22 ? 5.759 19.985 21.547 1.00 0.00 ? 22 ASN A ND2 5 ATOM 2573 H H . ASN A 1 22 ? 8.419 21.173 19.717 1.00 0.00 ? 22 ASN A H 5 ATOM 2574 H HA . ASN A 1 22 ? 8.427 22.279 22.350 1.00 0.00 ? 22 ASN A HA 5 ATOM 2575 H HB2 . ASN A 1 22 ? 8.310 19.415 21.265 1.00 0.00 ? 22 ASN A HB2 5 ATOM 2576 H HB3 . ASN A 1 22 ? 8.573 19.698 23.021 1.00 0.00 ? 22 ASN A HB3 5 ATOM 2577 H HD21 . ASN A 1 22 ? 6.030 19.702 20.618 1.00 0.00 ? 22 ASN A HD21 5 ATOM 2578 H HD22 . ASN A 1 22 ? 4.808 20.223 21.744 1.00 0.00 ? 22 ASN A HD22 5 ATOM 2579 N N . ALA A 1 23 ? 11.246 21.772 21.206 1.00 0.00 ? 23 ALA A N 5 ATOM 2580 C CA . ALA A 1 23 ? 12.680 21.774 21.361 1.00 0.00 ? 23 ALA A CA 5 ATOM 2581 C C . ALA A 1 23 ? 13.185 23.059 21.966 1.00 0.00 ? 23 ALA A C 5 ATOM 2582 O O . ALA A 1 23 ? 14.157 23.041 22.715 1.00 0.00 ? 23 ALA A O 5 ATOM 2583 C CB . ALA A 1 23 ? 13.376 21.550 20.003 1.00 0.00 ? 23 ALA A CB 5 ATOM 2584 H H . ALA A 1 23 ? 10.893 21.997 20.305 1.00 0.00 ? 23 ALA A H 5 ATOM 2585 H HA . ALA A 1 23 ? 12.965 20.968 22.027 1.00 0.00 ? 23 ALA A HA 5 ATOM 2586 H HB1 . ALA A 1 23 ? 12.992 20.604 19.569 1.00 0.00 ? 23 ALA A HB1 5 ATOM 2587 H HB2 . ALA A 1 23 ? 13.173 22.356 19.263 1.00 0.00 ? 23 ALA A HB2 5 ATOM 2588 H HB3 . ALA A 1 23 ? 14.477 21.443 20.124 1.00 0.00 ? 23 ALA A HB3 5 ATOM 2589 N N . SER A 1 24 ? 12.526 24.220 21.667 1.00 0.00 ? 24 SER A N 5 ATOM 2590 C CA . SER A 1 24 ? 12.807 25.510 22.288 1.00 0.00 ? 24 SER A CA 5 ATOM 2591 C C . SER A 1 24 ? 11.945 25.703 23.501 1.00 0.00 ? 24 SER A C 5 ATOM 2592 O O . SER A 1 24 ? 12.410 26.233 24.510 1.00 0.00 ? 24 SER A O 5 ATOM 2593 C CB . SER A 1 24 ? 12.736 26.744 21.318 1.00 0.00 ? 24 SER A CB 5 ATOM 2594 O OG . SER A 1 24 ? 13.398 27.900 21.847 1.00 0.00 ? 24 SER A OG 5 ATOM 2595 H H . SER A 1 24 ? 11.753 24.210 21.039 1.00 0.00 ? 24 SER A H 5 ATOM 2596 H HA . SER A 1 24 ? 13.801 25.461 22.709 1.00 0.00 ? 24 SER A HA 5 ATOM 2597 H HB2 . SER A 1 24 ? 13.273 26.481 20.381 1.00 0.00 ? 24 SER A HB2 5 ATOM 2598 H HB3 . SER A 1 24 ? 11.686 27.011 21.046 1.00 0.00 ? 24 SER A HB3 5 ATOM 2599 H HG . SER A 1 24 ? 12.831 28.275 22.593 1.00 0.00 ? 24 SER A HG 5 ATOM 2600 N N . LYS A 1 25 ? 10.672 25.210 23.479 1.00 0.00 ? 25 LYS A N 5 ATOM 2601 C CA . LYS A 1 25 ? 9.675 25.358 24.548 1.00 0.00 ? 25 LYS A CA 5 ATOM 2602 C C . LYS A 1 25 ? 10.114 24.943 25.950 1.00 0.00 ? 25 LYS A C 5 ATOM 2603 O O . LYS A 1 25 ? 9.705 25.567 26.920 1.00 0.00 ? 25 LYS A O 5 ATOM 2604 C CB . LYS A 1 25 ? 8.411 24.548 24.199 1.00 0.00 ? 25 LYS A CB 5 ATOM 2605 C CG . LYS A 1 25 ? 7.549 25.170 23.086 1.00 0.00 ? 25 LYS A CG 5 ATOM 2606 C CD . LYS A 1 25 ? 6.726 26.423 23.421 1.00 0.00 ? 25 LYS A CD 5 ATOM 2607 C CE . LYS A 1 25 ? 5.704 26.272 24.564 1.00 0.00 ? 25 LYS A CE 5 ATOM 2608 N NZ . LYS A 1 25 ? 6.302 26.496 25.911 1.00 0.00 ? 25 LYS A NZ 5 ATOM 2609 H H . LYS A 1 25 ? 10.312 24.783 22.651 1.00 0.00 ? 25 LYS A H 5 ATOM 2610 H HA . LYS A 1 25 ? 9.433 26.408 24.606 1.00 0.00 ? 25 LYS A HA 5 ATOM 2611 H HB2 . LYS A 1 25 ? 8.783 23.559 23.853 1.00 0.00 ? 25 LYS A HB2 5 ATOM 2612 H HB3 . LYS A 1 25 ? 7.748 24.359 25.067 1.00 0.00 ? 25 LYS A HB3 5 ATOM 2613 H HG2 . LYS A 1 25 ? 8.192 25.438 22.221 1.00 0.00 ? 25 LYS A HG2 5 ATOM 2614 H HG3 . LYS A 1 25 ? 6.831 24.396 22.735 1.00 0.00 ? 25 LYS A HG3 5 ATOM 2615 H HD2 . LYS A 1 25 ? 7.366 27.321 23.554 1.00 0.00 ? 25 LYS A HD2 5 ATOM 2616 H HD3 . LYS A 1 25 ? 6.139 26.601 22.491 1.00 0.00 ? 25 LYS A HD3 5 ATOM 2617 H HE2 . LYS A 1 25 ? 4.912 27.042 24.430 1.00 0.00 ? 25 LYS A HE2 5 ATOM 2618 H HE3 . LYS A 1 25 ? 5.233 25.268 24.551 1.00 0.00 ? 25 LYS A HE3 5 ATOM 2619 H HZ1 . LYS A 1 25 ? 7.252 26.912 25.881 1.00 0.00 ? 25 LYS A HZ1 5 ATOM 2620 H HZ2 . LYS A 1 25 ? 5.663 27.134 26.419 1.00 0.00 ? 25 LYS A HZ2 5 ATOM 2621 H HZ3 . LYS A 1 25 ? 6.374 25.590 26.509 1.00 0.00 ? 25 LYS A HZ3 5 ATOM 2622 N N . GLU A 1 26 ? 11.046 23.964 26.007 1.00 0.00 ? 26 GLU A N 5 ATOM 2623 C CA . GLU A 1 26 ? 11.754 23.414 27.151 1.00 0.00 ? 26 GLU A CA 5 ATOM 2624 C C . GLU A 1 26 ? 12.802 24.355 27.761 1.00 0.00 ? 26 GLU A C 5 ATOM 2625 O O . GLU A 1 26 ? 13.176 24.212 28.923 1.00 0.00 ? 26 GLU A O 5 ATOM 2626 C CB . GLU A 1 26 ? 12.409 22.070 26.715 1.00 0.00 ? 26 GLU A CB 5 ATOM 2627 C CG . GLU A 1 26 ? 12.894 21.179 27.879 1.00 0.00 ? 26 GLU A CG 5 ATOM 2628 C CD . GLU A 1 26 ? 12.305 19.772 27.771 1.00 0.00 ? 26 GLU A CD 5 ATOM 2629 O OE1 . GLU A 1 26 ? 11.060 19.651 27.629 1.00 0.00 ? 26 GLU A OE1 5 ATOM 2630 O OE2 . GLU A 1 26 ? 13.107 18.798 27.833 1.00 0.00 ? 26 GLU A OE2 5 ATOM 2631 H H . GLU A 1 26 ? 11.312 23.535 25.145 1.00 0.00 ? 26 GLU A H 5 ATOM 2632 H HA . GLU A 1 26 ? 11.020 23.200 27.922 1.00 0.00 ? 26 GLU A HA 5 ATOM 2633 H HB2 . GLU A 1 26 ? 11.616 21.516 26.159 1.00 0.00 ? 26 GLU A HB2 5 ATOM 2634 H HB3 . GLU A 1 26 ? 13.247 22.218 25.995 1.00 0.00 ? 26 GLU A HB3 5 ATOM 2635 H HG2 . GLU A 1 26 ? 14.005 21.137 27.881 1.00 0.00 ? 26 GLU A HG2 5 ATOM 2636 H HG3 . GLU A 1 26 ? 12.543 21.607 28.842 1.00 0.00 ? 26 GLU A HG3 5 ATOM 2637 N N . ALA A 1 27 ? 13.249 25.401 27.003 1.00 0.00 ? 27 ALA A N 5 ATOM 2638 C CA . ALA A 1 27 ? 14.065 26.513 27.458 1.00 0.00 ? 27 ALA A CA 5 ATOM 2639 C C . ALA A 1 27 ? 13.154 27.630 27.924 1.00 0.00 ? 27 ALA A C 5 ATOM 2640 O O . ALA A 1 27 ? 13.274 28.070 29.066 1.00 0.00 ? 27 ALA A O 5 ATOM 2641 C CB . ALA A 1 27 ? 15.031 27.064 26.374 1.00 0.00 ? 27 ALA A CB 5 ATOM 2642 H H . ALA A 1 27 ? 12.915 25.519 26.060 1.00 0.00 ? 27 ALA A H 5 ATOM 2643 H HA . ALA A 1 27 ? 14.662 26.194 28.305 1.00 0.00 ? 27 ALA A HA 5 ATOM 2644 H HB1 . ALA A 1 27 ? 14.503 27.425 25.462 1.00 0.00 ? 27 ALA A HB1 5 ATOM 2645 H HB2 . ALA A 1 27 ? 15.654 27.901 26.767 1.00 0.00 ? 27 ALA A HB2 5 ATOM 2646 H HB3 . ALA A 1 27 ? 15.726 26.262 26.050 1.00 0.00 ? 27 ALA A HB3 5 ATOM 2647 N N . GLU A 1 28 ? 12.153 28.043 27.079 1.00 0.00 ? 28 GLU A N 5 ATOM 2648 C CA . GLU A 1 28 ? 11.157 29.090 27.345 1.00 0.00 ? 28 GLU A CA 5 ATOM 2649 C C . GLU A 1 28 ? 10.257 28.835 28.561 1.00 0.00 ? 28 GLU A C 5 ATOM 2650 O O . GLU A 1 28 ? 9.994 29.753 29.335 1.00 0.00 ? 28 GLU A O 5 ATOM 2651 C CB . GLU A 1 28 ? 10.249 29.421 26.101 1.00 0.00 ? 28 GLU A CB 5 ATOM 2652 C CG . GLU A 1 28 ? 10.838 30.389 25.037 1.00 0.00 ? 28 GLU A CG 5 ATOM 2653 C CD . GLU A 1 28 ? 12.047 29.834 24.310 1.00 0.00 ? 28 GLU A CD 5 ATOM 2654 O OE1 . GLU A 1 28 ? 11.850 28.876 23.513 1.00 0.00 ? 28 GLU A OE1 5 ATOM 2655 O OE2 . GLU A 1 28 ? 13.163 30.375 24.508 1.00 0.00 ? 28 GLU A OE2 5 ATOM 2656 H H . GLU A 1 28 ? 12.120 27.673 26.148 1.00 0.00 ? 28 GLU A H 5 ATOM 2657 H HA . GLU A 1 28 ? 11.709 29.986 27.591 1.00 0.00 ? 28 GLU A HA 5 ATOM 2658 H HB2 . GLU A 1 28 ? 9.906 28.476 25.624 1.00 0.00 ? 28 GLU A HB2 5 ATOM 2659 H HB3 . GLU A 1 28 ? 9.331 29.966 26.420 1.00 0.00 ? 28 GLU A HB3 5 ATOM 2660 H HG2 . GLU A 1 28 ? 10.049 30.573 24.271 1.00 0.00 ? 28 GLU A HG2 5 ATOM 2661 H HG3 . GLU A 1 28 ? 11.139 31.350 25.516 1.00 0.00 ? 28 GLU A HG3 5 ATOM 2662 N N . GLU A 1 29 ? 9.784 27.572 28.796 1.00 0.00 ? 29 GLU A N 5 ATOM 2663 C CA . GLU A 1 29 ? 8.986 27.231 29.982 1.00 0.00 ? 29 GLU A CA 5 ATOM 2664 C C . GLU A 1 29 ? 9.825 26.780 31.170 1.00 0.00 ? 29 GLU A C 5 ATOM 2665 O O . GLU A 1 29 ? 9.291 26.602 32.261 1.00 0.00 ? 29 GLU A O 5 ATOM 2666 C CB . GLU A 1 29 ? 7.757 26.278 29.724 1.00 0.00 ? 29 GLU A CB 5 ATOM 2667 C CG . GLU A 1 29 ? 8.018 24.757 29.505 1.00 0.00 ? 29 GLU A CG 5 ATOM 2668 C CD . GLU A 1 29 ? 6.866 24.098 28.715 1.00 0.00 ? 29 GLU A CD 5 ATOM 2669 O OE1 . GLU A 1 29 ? 6.633 24.600 27.573 1.00 0.00 ? 29 GLU A OE1 5 ATOM 2670 O OE2 . GLU A 1 29 ? 6.235 23.108 29.178 1.00 0.00 ? 29 GLU A OE2 5 ATOM 2671 H H . GLU A 1 29 ? 9.931 26.823 28.130 1.00 0.00 ? 29 GLU A H 5 ATOM 2672 H HA . GLU A 1 29 ? 8.513 28.138 30.330 1.00 0.00 ? 29 GLU A HA 5 ATOM 2673 H HB2 . GLU A 1 29 ? 7.040 26.350 30.582 1.00 0.00 ? 29 GLU A HB2 5 ATOM 2674 H HB3 . GLU A 1 29 ? 7.211 26.674 28.846 1.00 0.00 ? 29 GLU A HB3 5 ATOM 2675 H HG2 . GLU A 1 29 ? 8.949 24.592 28.927 1.00 0.00 ? 29 GLU A HG2 5 ATOM 2676 H HG3 . GLU A 1 29 ? 8.131 24.251 30.487 1.00 0.00 ? 29 GLU A HG3 5 ATOM 2677 N N . ALA A 1 30 ? 11.183 26.676 31.032 1.00 0.00 ? 30 ALA A N 5 ATOM 2678 C CA . ALA A 1 30 ? 12.114 26.482 32.144 1.00 0.00 ? 30 ALA A CA 5 ATOM 2679 C C . ALA A 1 30 ? 12.564 27.838 32.656 1.00 0.00 ? 30 ALA A C 5 ATOM 2680 O O . ALA A 1 30 ? 12.441 28.189 33.830 1.00 0.00 ? 30 ALA A O 5 ATOM 2681 C CB . ALA A 1 30 ? 13.358 25.638 31.765 1.00 0.00 ? 30 ALA A CB 5 ATOM 2682 H H . ALA A 1 30 ? 11.607 26.860 30.145 1.00 0.00 ? 30 ALA A H 5 ATOM 2683 H HA . ALA A 1 30 ? 11.610 25.966 32.951 1.00 0.00 ? 30 ALA A HA 5 ATOM 2684 H HB1 . ALA A 1 30 ? 13.022 24.644 31.399 1.00 0.00 ? 30 ALA A HB1 5 ATOM 2685 H HB2 . ALA A 1 30 ? 13.967 26.092 30.954 1.00 0.00 ? 30 ALA A HB2 5 ATOM 2686 H HB3 . ALA A 1 30 ? 14.021 25.469 32.644 1.00 0.00 ? 30 ALA A HB3 5 ATOM 2687 N N . ALA A 1 31 ? 13.011 28.700 31.705 1.00 0.00 ? 31 ALA A N 5 ATOM 2688 C CA . ALA A 1 31 ? 13.433 30.073 31.915 1.00 0.00 ? 31 ALA A CA 5 ATOM 2689 C C . ALA A 1 31 ? 12.260 31.030 31.878 1.00 0.00 ? 31 ALA A C 5 ATOM 2690 O O . ALA A 1 31 ? 12.275 32.053 31.195 1.00 0.00 ? 31 ALA A O 5 ATOM 2691 C CB . ALA A 1 31 ? 14.499 30.509 30.889 1.00 0.00 ? 31 ALA A CB 5 ATOM 2692 H H . ALA A 1 31 ? 13.092 28.406 30.737 1.00 0.00 ? 31 ALA A H 5 ATOM 2693 H HA . ALA A 1 31 ? 13.890 30.159 32.887 1.00 0.00 ? 31 ALA A HA 5 ATOM 2694 H HB1 . ALA A 1 31 ? 15.345 29.787 30.892 1.00 0.00 ? 31 ALA A HB1 5 ATOM 2695 H HB2 . ALA A 1 31 ? 14.084 30.548 29.855 1.00 0.00 ? 31 ALA A HB2 5 ATOM 2696 H HB3 . ALA A 1 31 ? 14.909 31.514 31.138 1.00 0.00 ? 31 ALA A HB3 5 ATOM 2697 N N . LYS A 1 32 ? 11.236 30.672 32.682 1.00 0.00 ? 32 LYS A N 5 ATOM 2698 C CA . LYS A 1 32 ? 10.135 31.470 33.120 1.00 0.00 ? 32 LYS A CA 5 ATOM 2699 C C . LYS A 1 32 ? 9.694 30.771 34.372 1.00 0.00 ? 32 LYS A C 5 ATOM 2700 O O . LYS A 1 32 ? 9.737 31.343 35.462 1.00 0.00 ? 32 LYS A O 5 ATOM 2701 C CB . LYS A 1 32 ? 8.979 31.661 32.099 1.00 0.00 ? 32 LYS A CB 5 ATOM 2702 C CG . LYS A 1 32 ? 7.942 32.702 32.578 1.00 0.00 ? 32 LYS A CG 5 ATOM 2703 C CD . LYS A 1 32 ? 6.879 33.100 31.537 1.00 0.00 ? 32 LYS A CD 5 ATOM 2704 C CE . LYS A 1 32 ? 6.041 34.345 31.903 1.00 0.00 ? 32 LYS A CE 5 ATOM 2705 N NZ . LYS A 1 32 ? 5.441 34.214 33.239 1.00 0.00 ? 32 LYS A NZ 5 ATOM 2706 H H . LYS A 1 32 ? 11.283 29.752 33.081 1.00 0.00 ? 32 LYS A H 5 ATOM 2707 H HA . LYS A 1 32 ? 10.523 32.431 33.415 1.00 0.00 ? 32 LYS A HA 5 ATOM 2708 H HB2 . LYS A 1 32 ? 9.434 32.042 31.157 1.00 0.00 ? 32 LYS A HB2 5 ATOM 2709 H HB3 . LYS A 1 32 ? 8.485 30.694 31.840 1.00 0.00 ? 32 LYS A HB3 5 ATOM 2710 H HG2 . LYS A 1 32 ? 7.421 32.306 33.478 1.00 0.00 ? 32 LYS A HG2 5 ATOM 2711 H HG3 . LYS A 1 32 ? 8.500 33.612 32.890 1.00 0.00 ? 32 LYS A HG3 5 ATOM 2712 H HD2 . LYS A 1 32 ? 7.391 33.339 30.579 1.00 0.00 ? 32 LYS A HD2 5 ATOM 2713 H HD3 . LYS A 1 32 ? 6.202 32.233 31.372 1.00 0.00 ? 32 LYS A HD3 5 ATOM 2714 H HE2 . LYS A 1 32 ? 6.685 35.252 31.945 1.00 0.00 ? 32 LYS A HE2 5 ATOM 2715 H HE3 . LYS A 1 32 ? 5.222 34.519 31.168 1.00 0.00 ? 32 LYS A HE3 5 ATOM 2716 H HZ1 . LYS A 1 32 ? 6.214 34.073 33.976 1.00 0.00 ? 32 LYS A HZ1 5 ATOM 2717 H HZ2 . LYS A 1 32 ? 5.030 35.106 33.615 1.00 0.00 ? 32 LYS A HZ2 5 ATOM 2718 H HZ3 . LYS A 1 32 ? 4.767 33.434 33.342 1.00 0.00 ? 32 LYS A HZ3 5 ATOM 2719 N N . GLU A 1 33 ? 9.296 29.468 34.279 1.00 0.00 ? 33 GLU A N 5 ATOM 2720 C CA . GLU A 1 33 ? 8.681 28.759 35.396 1.00 0.00 ? 33 GLU A CA 5 ATOM 2721 C C . GLU A 1 33 ? 9.656 28.223 36.434 1.00 0.00 ? 33 GLU A C 5 ATOM 2722 O O . GLU A 1 33 ? 9.260 28.077 37.578 1.00 0.00 ? 33 GLU A O 5 ATOM 2723 C CB . GLU A 1 33 ? 7.618 27.689 34.996 1.00 0.00 ? 33 GLU A CB 5 ATOM 2724 C CG . GLU A 1 33 ? 6.331 28.307 34.397 1.00 0.00 ? 33 GLU A CG 5 ATOM 2725 C CD . GLU A 1 33 ? 5.308 27.226 34.038 1.00 0.00 ? 33 GLU A CD 5 ATOM 2726 O OE1 . GLU A 1 33 ? 4.819 26.520 34.965 1.00 0.00 ? 33 GLU A OE1 5 ATOM 2727 O OE2 . GLU A 1 33 ? 5.021 27.123 32.810 1.00 0.00 ? 33 GLU A OE2 5 ATOM 2728 H H . GLU A 1 33 ? 9.280 28.971 33.413 1.00 0.00 ? 33 GLU A H 5 ATOM 2729 H HA . GLU A 1 33 ? 8.077 29.471 35.938 1.00 0.00 ? 33 GLU A HA 5 ATOM 2730 H HB2 . GLU A 1 33 ? 8.041 26.953 34.282 1.00 0.00 ? 33 GLU A HB2 5 ATOM 2731 H HB3 . GLU A 1 33 ? 7.264 27.121 35.890 1.00 0.00 ? 33 GLU A HB3 5 ATOM 2732 H HG2 . GLU A 1 33 ? 5.843 28.982 35.132 1.00 0.00 ? 33 GLU A HG2 5 ATOM 2733 H HG3 . GLU A 1 33 ? 6.568 28.885 33.475 1.00 0.00 ? 33 GLU A HG3 5 ATOM 2734 N N . ALA A 1 34 ? 10.958 27.974 36.139 1.00 0.00 ? 34 ALA A N 5 ATOM 2735 C CA . ALA A 1 34 ? 11.949 27.642 37.164 1.00 0.00 ? 34 ALA A CA 5 ATOM 2736 C C . ALA A 1 34 ? 12.669 28.857 37.708 1.00 0.00 ? 34 ALA A C 5 ATOM 2737 O O . ALA A 1 34 ? 13.057 28.893 38.873 1.00 0.00 ? 34 ALA A O 5 ATOM 2738 C CB . ALA A 1 34 ? 13.014 26.620 36.685 1.00 0.00 ? 34 ALA A CB 5 ATOM 2739 H H . ALA A 1 34 ? 11.322 28.128 35.214 1.00 0.00 ? 34 ALA A H 5 ATOM 2740 H HA . ALA A 1 34 ? 11.440 27.194 38.015 1.00 0.00 ? 34 ALA A HA 5 ATOM 2741 H HB1 . ALA A 1 34 ? 12.507 25.698 36.332 1.00 0.00 ? 34 ALA A HB1 5 ATOM 2742 H HB2 . ALA A 1 34 ? 13.618 27.012 35.835 1.00 0.00 ? 34 ALA A HB2 5 ATOM 2743 H HB3 . ALA A 1 34 ? 13.709 26.326 37.509 1.00 0.00 ? 34 ALA A HB3 5 ATOM 2744 N N . VAL A 1 35 ? 12.924 29.872 36.841 1.00 0.00 ? 35 VAL A N 5 ATOM 2745 C CA . VAL A 1 35 ? 13.850 30.982 37.084 1.00 0.00 ? 35 VAL A CA 5 ATOM 2746 C C . VAL A 1 35 ? 13.197 32.090 37.887 1.00 0.00 ? 35 VAL A C 5 ATOM 2747 O O . VAL A 1 35 ? 13.873 32.881 38.542 1.00 0.00 ? 35 VAL A O 5 ATOM 2748 C CB . VAL A 1 35 ? 14.452 31.489 35.761 1.00 0.00 ? 35 VAL A CB 5 ATOM 2749 C CG1 . VAL A 1 35 ? 15.372 32.737 35.895 1.00 0.00 ? 35 VAL A CG1 5 ATOM 2750 C CG2 . VAL A 1 35 ? 15.252 30.310 35.159 1.00 0.00 ? 35 VAL A CG2 5 ATOM 2751 H H . VAL A 1 35 ? 12.570 29.812 35.912 1.00 0.00 ? 35 VAL A H 5 ATOM 2752 H HA . VAL A 1 35 ? 14.675 30.625 37.689 1.00 0.00 ? 35 VAL A HA 5 ATOM 2753 H HB . VAL A 1 35 ? 13.640 31.756 35.050 1.00 0.00 ? 35 VAL A HB 5 ATOM 2754 H HG11 . VAL A 1 35 ? 16.174 32.563 36.644 1.00 0.00 ? 35 VAL A HG11 5 ATOM 2755 H HG12 . VAL A 1 35 ? 15.845 32.969 34.917 1.00 0.00 ? 35 VAL A HG12 5 ATOM 2756 H HG13 . VAL A 1 35 ? 14.815 33.647 36.204 1.00 0.00 ? 35 VAL A HG13 5 ATOM 2757 H HG21 . VAL A 1 35 ? 16.032 29.959 35.866 1.00 0.00 ? 35 VAL A HG21 5 ATOM 2758 H HG22 . VAL A 1 35 ? 14.603 29.443 34.915 1.00 0.00 ? 35 VAL A HG22 5 ATOM 2759 H HG23 . VAL A 1 35 ? 15.765 30.633 34.230 1.00 0.00 ? 35 VAL A HG23 5 ATOM 2760 N N . ASN A 1 36 ? 11.848 32.156 37.882 1.00 0.00 ? 36 ASN A N 5 ATOM 2761 C CA . ASN A 1 36 ? 11.134 33.143 38.654 1.00 0.00 ? 36 ASN A CA 5 ATOM 2762 C C . ASN A 1 36 ? 9.790 32.612 39.037 1.00 0.00 ? 36 ASN A C 5 ATOM 2763 O O . ASN A 1 36 ? 9.304 32.976 40.109 1.00 0.00 ? 36 ASN A O 5 ATOM 2764 C CB . ASN A 1 36 ? 11.095 34.578 38.044 1.00 0.00 ? 36 ASN A CB 5 ATOM 2765 C CG . ASN A 1 36 ? 10.302 34.672 36.757 1.00 0.00 ? 36 ASN A CG 5 ATOM 2766 O OD1 . ASN A 1 36 ? 9.231 35.254 36.837 1.00 0.00 ? 36 ASN A OD1 5 ATOM 2767 N ND2 . ASN A 1 36 ? 10.736 34.091 35.622 1.00 0.00 ? 36 ASN A ND2 5 ATOM 2768 H H . ASN A 1 36 ? 11.298 31.491 37.381 1.00 0.00 ? 36 ASN A H 5 ATOM 2769 H HA . ASN A 1 36 ? 11.620 33.256 39.609 1.00 0.00 ? 36 ASN A HA 5 ATOM 2770 H HB2 . ASN A 1 36 ? 10.629 35.292 38.754 1.00 0.00 ? 36 ASN A HB2 5 ATOM 2771 H HB3 . ASN A 1 36 ? 12.129 34.933 37.861 1.00 0.00 ? 36 ASN A HB3 5 ATOM 2772 H HD21 . ASN A 1 36 ? 11.617 33.624 35.586 1.00 0.00 ? 36 ASN A HD21 5 ATOM 2773 H HD22 . ASN A 1 36 ? 10.050 33.957 34.908 1.00 0.00 ? 36 ASN A HD22 5 ATOM 2774 N N . LEU A 1 37 ? 9.124 31.789 38.166 1.00 0.00 ? 37 LEU A N 5 ATOM 2775 C CA . LEU A 1 37 ? 7.882 31.080 38.473 1.00 0.00 ? 37 LEU A CA 5 ATOM 2776 C C . LEU A 1 37 ? 6.686 31.987 38.254 1.00 0.00 ? 37 LEU A C 5 ATOM 2777 O O . LEU A 1 37 ? 5.622 31.771 38.821 1.00 0.00 ? 37 LEU A O 5 ATOM 2778 C CB . LEU A 1 37 ? 7.868 30.360 39.869 1.00 0.00 ? 37 LEU A CB 5 ATOM 2779 C CG . LEU A 1 37 ? 6.765 29.306 40.144 1.00 0.00 ? 37 LEU A CG 5 ATOM 2780 C CD1 . LEU A 1 37 ? 7.232 27.844 40.023 1.00 0.00 ? 37 LEU A CD1 5 ATOM 2781 C CD2 . LEU A 1 37 ? 6.111 29.598 41.506 1.00 0.00 ? 37 LEU A CD2 5 ATOM 2782 H H . LEU A 1 37 ? 9.431 31.616 37.220 1.00 0.00 ? 37 LEU A H 5 ATOM 2783 H HA . LEU A 1 37 ? 7.797 30.294 37.749 1.00 0.00 ? 37 LEU A HA 5 ATOM 2784 H HB2 . LEU A 1 37 ? 8.850 29.855 40.008 1.00 0.00 ? 37 LEU A HB2 5 ATOM 2785 H HB3 . LEU A 1 37 ? 7.789 31.141 40.659 1.00 0.00 ? 37 LEU A HB3 5 ATOM 2786 H HG . LEU A 1 37 ? 5.987 29.416 39.364 1.00 0.00 ? 37 LEU A HG 5 ATOM 2787 H HD11 . LEU A 1 37 ? 8.094 27.624 40.688 1.00 0.00 ? 37 LEU A HD11 5 ATOM 2788 H HD12 . LEU A 1 37 ? 6.401 27.154 40.270 1.00 0.00 ? 37 LEU A HD12 5 ATOM 2789 H HD13 . LEU A 1 37 ? 7.519 27.628 38.974 1.00 0.00 ? 37 LEU A HD13 5 ATOM 2790 H HD21 . LEU A 1 37 ? 5.710 30.634 41.484 1.00 0.00 ? 37 LEU A HD21 5 ATOM 2791 H HD22 . LEU A 1 37 ? 5.279 28.893 41.705 1.00 0.00 ? 37 LEU A HD22 5 ATOM 2792 H HD23 . LEU A 1 37 ? 6.869 29.518 42.315 1.00 0.00 ? 37 LEU A HD23 5 ATOM 2793 N N . LYS A 1 38 ? 6.856 33.081 37.470 1.00 0.00 ? 38 LYS A N 5 ATOM 2794 C CA . LYS A 1 38 ? 5.810 34.042 37.248 1.00 0.00 ? 38 LYS A CA 5 ATOM 2795 C C . LYS A 1 38 ? 6.172 34.714 35.932 1.00 0.00 ? 38 LYS A C 5 ATOM 2796 O O . LYS A 1 38 ? 7.078 34.182 35.222 1.00 0.00 ? 38 LYS A O 5 ATOM 2797 C CB . LYS A 1 38 ? 5.653 35.086 38.386 1.00 0.00 ? 38 LYS A CB 5 ATOM 2798 C CG . LYS A 1 38 ? 6.986 35.689 38.844 1.00 0.00 ? 38 LYS A CG 5 ATOM 2799 C CD . LYS A 1 38 ? 6.947 36.430 40.181 1.00 0.00 ? 38 LYS A CD 5 ATOM 2800 C CE . LYS A 1 38 ? 8.328 36.489 40.857 1.00 0.00 ? 38 LYS A CE 5 ATOM 2801 N NZ . LYS A 1 38 ? 8.709 35.179 41.460 1.00 0.00 ? 38 LYS A NZ 5 ATOM 2802 O OXT . LYS A 1 38 ? 5.440 35.643 35.512 1.00 0.00 ? 38 LYS A OXT 5 ATOM 2803 H H . LYS A 1 38 ? 7.692 33.346 36.967 1.00 0.00 ? 38 LYS A H 5 ATOM 2804 H HA . LYS A 1 38 ? 4.872 33.535 37.068 1.00 0.00 ? 38 LYS A HA 5 ATOM 2805 H HB2 . LYS A 1 38 ? 4.952 35.884 38.059 1.00 0.00 ? 38 LYS A HB2 5 ATOM 2806 H HB3 . LYS A 1 38 ? 5.188 34.574 39.256 1.00 0.00 ? 38 LYS A HB3 5 ATOM 2807 H HG2 . LYS A 1 38 ? 7.713 34.863 38.942 1.00 0.00 ? 38 LYS A HG2 5 ATOM 2808 H HG3 . LYS A 1 38 ? 7.366 36.357 38.041 1.00 0.00 ? 38 LYS A HG3 5 ATOM 2809 H HD2 . LYS A 1 38 ? 6.594 37.466 39.977 1.00 0.00 ? 38 LYS A HD2 5 ATOM 2810 H HD3 . LYS A 1 38 ? 6.210 35.948 40.860 1.00 0.00 ? 38 LYS A HD3 5 ATOM 2811 H HE2 . LYS A 1 38 ? 9.107 36.765 40.112 1.00 0.00 ? 38 LYS A HE2 5 ATOM 2812 H HE3 . LYS A 1 38 ? 8.324 37.239 41.679 1.00 0.00 ? 38 LYS A HE3 5 ATOM 2813 H HZ1 . LYS A 1 38 ? 8.643 34.370 40.783 1.00 0.00 ? 38 LYS A HZ1 5 ATOM 2814 H HZ2 . LYS A 1 38 ? 9.704 35.201 41.756 1.00 0.00 ? 38 LYS A HZ2 5 ATOM 2815 H HZ3 . LYS A 1 38 ? 8.098 34.972 42.273 1.00 0.00 ? 38 LYS A HZ3 5 ATOM 2816 N N . GLU A 1 1 ? 4.810 5.174 14.298 1.00 0.00 ? 1 GLU A N 6 ATOM 2817 C CA . GLU A 1 1 ? 5.214 3.729 14.401 1.00 0.00 ? 1 GLU A CA 6 ATOM 2818 C C . GLU A 1 1 ? 4.220 2.682 13.877 1.00 0.00 ? 1 GLU A C 6 ATOM 2819 O O . GLU A 1 1 ? 3.840 1.771 14.607 1.00 0.00 ? 1 GLU A O 6 ATOM 2820 C CB . GLU A 1 1 ? 5.433 3.454 15.929 1.00 0.00 ? 1 GLU A CB 6 ATOM 2821 C CG . GLU A 1 1 ? 4.250 3.881 16.849 1.00 0.00 ? 1 GLU A CG 6 ATOM 2822 C CD . GLU A 1 1 ? 4.504 3.373 18.262 1.00 0.00 ? 1 GLU A CD 6 ATOM 2823 O OE1 . GLU A 1 1 ? 5.648 3.564 18.747 1.00 0.00 ? 1 GLU A OE1 6 ATOM 2824 O OE2 . GLU A 1 1 ? 3.564 2.792 18.866 1.00 0.00 ? 1 GLU A OE2 6 ATOM 2825 H H1 . GLU A 1 1 ? 3.782 5.264 14.433 1.00 0.00 ? 1 GLU A H1 6 ATOM 2826 H H2 . GLU A 1 1 ? 5.289 5.691 15.057 1.00 0.00 ? 1 GLU A H2 6 ATOM 2827 H H3 . GLU A 1 1 ? 5.091 5.642 13.386 1.00 0.00 ? 1 GLU A H3 6 ATOM 2828 H HA . GLU A 1 1 ? 6.157 3.617 13.882 1.00 0.00 ? 1 GLU A HA 6 ATOM 2829 H HB2 . GLU A 1 1 ? 5.670 2.381 16.123 1.00 0.00 ? 1 GLU A HB2 6 ATOM 2830 H HB3 . GLU A 1 1 ? 6.329 4.011 16.287 1.00 0.00 ? 1 GLU A HB3 6 ATOM 2831 H HG2 . GLU A 1 1 ? 4.133 4.982 16.908 1.00 0.00 ? 1 GLU A HG2 6 ATOM 2832 H HG3 . GLU A 1 1 ? 3.285 3.445 16.510 1.00 0.00 ? 1 GLU A HG3 6 ATOM 2833 N N . ALA A 1 2 ? 3.738 2.732 12.606 1.00 0.00 ? 2 ALA A N 6 ATOM 2834 C CA . ALA A 1 2 ? 2.621 1.887 12.164 1.00 0.00 ? 2 ALA A CA 6 ATOM 2835 C C . ALA A 1 2 ? 3.059 0.803 11.193 1.00 0.00 ? 2 ALA A C 6 ATOM 2836 O O . ALA A 1 2 ? 4.120 0.203 11.342 1.00 0.00 ? 2 ALA A O 6 ATOM 2837 C CB . ALA A 1 2 ? 1.527 2.766 11.488 1.00 0.00 ? 2 ALA A CB 6 ATOM 2838 H H . ALA A 1 2 ? 4.098 3.363 11.922 1.00 0.00 ? 2 ALA A H 6 ATOM 2839 H HA . ALA A 1 2 ? 2.155 1.376 13.000 1.00 0.00 ? 2 ALA A HA 6 ATOM 2840 H HB1 . ALA A 1 2 ? 1.261 3.592 12.177 1.00 0.00 ? 2 ALA A HB1 6 ATOM 2841 H HB2 . ALA A 1 2 ? 1.893 3.233 10.547 1.00 0.00 ? 2 ALA A HB2 6 ATOM 2842 H HB3 . ALA A 1 2 ? 0.583 2.215 11.282 1.00 0.00 ? 2 ALA A HB3 6 ATOM 2843 N N . TYR A 1 3 ? 2.214 0.592 10.157 1.00 0.00 ? 3 TYR A N 6 ATOM 2844 C CA . TYR A 1 3 ? 2.415 -0.164 8.949 1.00 0.00 ? 3 TYR A CA 6 ATOM 2845 C C . TYR A 1 3 ? 1.111 0.195 8.282 1.00 0.00 ? 3 TYR A C 6 ATOM 2846 O O . TYR A 1 3 ? 0.237 0.755 8.955 1.00 0.00 ? 3 TYR A O 6 ATOM 2847 C CB . TYR A 1 3 ? 2.566 -1.729 9.120 1.00 0.00 ? 3 TYR A CB 6 ATOM 2848 C CG . TYR A 1 3 ? 3.105 -2.426 7.878 1.00 0.00 ? 3 TYR A CG 6 ATOM 2849 C CD1 . TYR A 1 3 ? 4.207 -1.897 7.175 1.00 0.00 ? 3 TYR A CD1 6 ATOM 2850 C CD2 . TYR A 1 3 ? 2.567 -3.657 7.435 1.00 0.00 ? 3 TYR A CD2 6 ATOM 2851 C CE1 . TYR A 1 3 ? 4.746 -2.563 6.064 1.00 0.00 ? 3 TYR A CE1 6 ATOM 2852 C CE2 . TYR A 1 3 ? 3.116 -4.332 6.328 1.00 0.00 ? 3 TYR A CE2 6 ATOM 2853 C CZ . TYR A 1 3 ? 4.214 -3.786 5.643 1.00 0.00 ? 3 TYR A CZ 6 ATOM 2854 O OH . TYR A 1 3 ? 4.834 -4.467 4.565 1.00 0.00 ? 3 TYR A OH 6 ATOM 2855 H H . TYR A 1 3 ? 1.341 1.095 10.111 1.00 0.00 ? 3 TYR A H 6 ATOM 2856 H HA . TYR A 1 3 ? 3.238 0.291 8.416 1.00 0.00 ? 3 TYR A HA 6 ATOM 2857 H HB2 . TYR A 1 3 ? 3.311 -1.934 9.921 1.00 0.00 ? 3 TYR A HB2 6 ATOM 2858 H HB3 . TYR A 1 3 ? 1.617 -2.224 9.430 1.00 0.00 ? 3 TYR A HB3 6 ATOM 2859 H HD1 . TYR A 1 3 ? 4.688 -0.985 7.498 1.00 0.00 ? 3 TYR A HD1 6 ATOM 2860 H HD2 . TYR A 1 3 ? 1.742 -4.112 7.967 1.00 0.00 ? 3 TYR A HD2 6 ATOM 2861 H HE1 . TYR A 1 3 ? 5.595 -2.138 5.549 1.00 0.00 ? 3 TYR A HE1 6 ATOM 2862 H HE2 . TYR A 1 3 ? 2.701 -5.281 6.027 1.00 0.00 ? 3 TYR A HE2 6 ATOM 2863 H HH . TYR A 1 3 ? 4.350 -5.278 4.377 1.00 0.00 ? 3 TYR A HH 6 ATOM 2864 N N . LYS A 1 4 ? 0.952 -0.132 6.977 1.00 0.00 ? 4 LYS A N 6 ATOM 2865 C CA . LYS A 1 4 ? -0.328 -0.179 6.299 1.00 0.00 ? 4 LYS A CA 6 ATOM 2866 C C . LYS A 1 4 ? -0.325 -1.372 5.395 1.00 0.00 ? 4 LYS A C 6 ATOM 2867 O O . LYS A 1 4 ? -0.946 -2.382 5.730 1.00 0.00 ? 4 LYS A O 6 ATOM 2868 C CB . LYS A 1 4 ? -0.742 1.105 5.496 1.00 0.00 ? 4 LYS A CB 6 ATOM 2869 C CG . LYS A 1 4 ? -1.239 2.274 6.362 1.00 0.00 ? 4 LYS A CG 6 ATOM 2870 C CD . LYS A 1 4 ? -2.404 1.895 7.292 1.00 0.00 ? 4 LYS A CD 6 ATOM 2871 C CE . LYS A 1 4 ? -2.824 3.015 8.248 1.00 0.00 ? 4 LYS A CE 6 ATOM 2872 N NZ . LYS A 1 4 ? -3.831 2.494 9.210 1.00 0.00 ? 4 LYS A NZ 6 ATOM 2873 H H . LYS A 1 4 ? 1.730 -0.477 6.450 1.00 0.00 ? 4 LYS A H 6 ATOM 2874 H HA . LYS A 1 4 ? -1.097 -0.421 7.020 1.00 0.00 ? 4 LYS A HA 6 ATOM 2875 H HB2 . LYS A 1 4 ? 0.119 1.469 4.892 1.00 0.00 ? 4 LYS A HB2 6 ATOM 2876 H HB3 . LYS A 1 4 ? -1.586 0.896 4.798 1.00 0.00 ? 4 LYS A HB3 6 ATOM 2877 H HG2 . LYS A 1 4 ? -0.385 2.647 6.969 1.00 0.00 ? 4 LYS A HG2 6 ATOM 2878 H HG3 . LYS A 1 4 ? -1.562 3.105 5.694 1.00 0.00 ? 4 LYS A HG3 6 ATOM 2879 H HD2 . LYS A 1 4 ? -3.265 1.562 6.670 1.00 0.00 ? 4 LYS A HD2 6 ATOM 2880 H HD3 . LYS A 1 4 ? -2.083 1.049 7.936 1.00 0.00 ? 4 LYS A HD3 6 ATOM 2881 H HE2 . LYS A 1 4 ? -1.952 3.390 8.829 1.00 0.00 ? 4 LYS A HE2 6 ATOM 2882 H HE3 . LYS A 1 4 ? -3.279 3.855 7.684 1.00 0.00 ? 4 LYS A HE3 6 ATOM 2883 H HZ1 . LYS A 1 4 ? -4.562 1.980 8.680 1.00 0.00 ? 4 LYS A HZ1 6 ATOM 2884 H HZ2 . LYS A 1 4 ? -3.390 1.834 9.884 1.00 0.00 ? 4 LYS A HZ2 6 ATOM 2885 H HZ3 . LYS A 1 4 ? -4.285 3.275 9.729 1.00 0.00 ? 4 LYS A HZ3 6 ATOM 2886 N N . LYS A 1 5 ? 0.309 -1.268 4.202 1.00 0.00 ? 5 LYS A N 6 ATOM 2887 C CA . LYS A 1 5 ? 0.292 -2.280 3.164 1.00 0.00 ? 5 LYS A CA 6 ATOM 2888 C C . LYS A 1 5 ? 1.622 -2.144 2.472 1.00 0.00 ? 5 LYS A C 6 ATOM 2889 O O . LYS A 1 5 ? 2.558 -2.872 2.782 1.00 0.00 ? 5 LYS A O 6 ATOM 2890 C CB . LYS A 1 5 ? -0.883 -2.138 2.125 1.00 0.00 ? 5 LYS A CB 6 ATOM 2891 C CG . LYS A 1 5 ? -2.276 -2.520 2.660 1.00 0.00 ? 5 LYS A CG 6 ATOM 2892 C CD . LYS A 1 5 ? -2.488 -4.035 2.840 1.00 0.00 ? 5 LYS A CD 6 ATOM 2893 C CE . LYS A 1 5 ? -3.462 -4.392 3.974 1.00 0.00 ? 5 LYS A CE 6 ATOM 2894 N NZ . LYS A 1 5 ? -2.831 -4.198 5.312 1.00 0.00 ? 5 LYS A NZ 6 ATOM 2895 H H . LYS A 1 5 ? 0.853 -0.460 3.977 1.00 0.00 ? 5 LYS A H 6 ATOM 2896 H HA . LYS A 1 5 ? 0.284 -3.266 3.612 1.00 0.00 ? 5 LYS A HA 6 ATOM 2897 H HB2 . LYS A 1 5 ? -0.958 -1.080 1.790 1.00 0.00 ? 5 LYS A HB2 6 ATOM 2898 H HB3 . LYS A 1 5 ? -0.715 -2.773 1.224 1.00 0.00 ? 5 LYS A HB3 6 ATOM 2899 H HG2 . LYS A 1 5 ? -2.442 -1.983 3.616 1.00 0.00 ? 5 LYS A HG2 6 ATOM 2900 H HG3 . LYS A 1 5 ? -3.052 -2.154 1.954 1.00 0.00 ? 5 LYS A HG3 6 ATOM 2901 H HD2 . LYS A 1 5 ? -2.895 -4.427 1.882 1.00 0.00 ? 5 LYS A HD2 6 ATOM 2902 H HD3 . LYS A 1 5 ? -1.518 -4.553 3.010 1.00 0.00 ? 5 LYS A HD3 6 ATOM 2903 H HE2 . LYS A 1 5 ? -4.371 -3.757 3.912 1.00 0.00 ? 5 LYS A HE2 6 ATOM 2904 H HE3 . LYS A 1 5 ? -3.760 -5.461 3.900 1.00 0.00 ? 5 LYS A HE3 6 ATOM 2905 H HZ1 . LYS A 1 5 ? -2.229 -3.326 5.360 1.00 0.00 ? 5 LYS A HZ1 6 ATOM 2906 H HZ2 . LYS A 1 5 ? -3.556 -4.156 6.053 1.00 0.00 ? 5 LYS A HZ2 6 ATOM 2907 H HZ3 . LYS A 1 5 ? -2.191 -4.991 5.511 1.00 0.00 ? 5 LYS A HZ3 6 ATOM 2908 N N . ALA A 1 6 ? 1.727 -1.204 1.492 1.00 0.00 ? 6 ALA A N 6 ATOM 2909 C CA . ALA A 1 6 ? 2.935 -0.938 0.717 1.00 0.00 ? 6 ALA A CA 6 ATOM 2910 C C . ALA A 1 6 ? 3.813 0.128 1.349 1.00 0.00 ? 6 ALA A C 6 ATOM 2911 O O . ALA A 1 6 ? 5.016 -0.046 1.526 1.00 0.00 ? 6 ALA A O 6 ATOM 2912 C CB . ALA A 1 6 ? 2.594 -0.530 -0.738 1.00 0.00 ? 6 ALA A CB 6 ATOM 2913 H H . ALA A 1 6 ? 0.928 -0.684 1.209 1.00 0.00 ? 6 ALA A H 6 ATOM 2914 H HA . ALA A 1 6 ? 3.529 -1.844 0.663 1.00 0.00 ? 6 ALA A HA 6 ATOM 2915 H HB1 . ALA A 1 6 ? 1.942 -1.308 -1.190 1.00 0.00 ? 6 ALA A HB1 6 ATOM 2916 H HB2 . ALA A 1 6 ? 2.045 0.436 -0.787 1.00 0.00 ? 6 ALA A HB2 6 ATOM 2917 H HB3 . ALA A 1 6 ? 3.510 -0.457 -1.367 1.00 0.00 ? 6 ALA A HB3 6 ATOM 2918 N N . LYS A 1 7 ? 3.211 1.300 1.693 1.00 0.00 ? 7 LYS A N 6 ATOM 2919 C CA . LYS A 1 7 ? 3.819 2.374 2.463 1.00 0.00 ? 7 LYS A CA 6 ATOM 2920 C C . LYS A 1 7 ? 3.317 2.293 3.890 1.00 0.00 ? 7 LYS A C 6 ATOM 2921 O O . LYS A 1 7 ? 2.567 1.375 4.225 1.00 0.00 ? 7 LYS A O 6 ATOM 2922 C CB . LYS A 1 7 ? 3.609 3.784 1.836 1.00 0.00 ? 7 LYS A CB 6 ATOM 2923 C CG . LYS A 1 7 ? 4.142 3.846 0.391 1.00 0.00 ? 7 LYS A CG 6 ATOM 2924 C CD . LYS A 1 7 ? 4.522 5.260 -0.080 1.00 0.00 ? 7 LYS A CD 6 ATOM 2925 C CE . LYS A 1 7 ? 5.166 5.250 -1.476 1.00 0.00 ? 7 LYS A CE 6 ATOM 2926 N NZ . LYS A 1 7 ? 5.746 6.574 -1.836 1.00 0.00 ? 7 LYS A NZ 6 ATOM 2927 H H . LYS A 1 7 ? 2.222 1.382 1.595 1.00 0.00 ? 7 LYS A H 6 ATOM 2928 H HA . LYS A 1 7 ? 4.891 2.219 2.506 1.00 0.00 ? 7 LYS A HA 6 ATOM 2929 H HB2 . LYS A 1 7 ? 2.537 4.092 1.849 1.00 0.00 ? 7 LYS A HB2 6 ATOM 2930 H HB3 . LYS A 1 7 ? 4.180 4.536 2.427 1.00 0.00 ? 7 LYS A HB3 6 ATOM 2931 H HG2 . LYS A 1 7 ? 5.063 3.222 0.345 1.00 0.00 ? 7 LYS A HG2 6 ATOM 2932 H HG3 . LYS A 1 7 ? 3.391 3.388 -0.290 1.00 0.00 ? 7 LYS A HG3 6 ATOM 2933 H HD2 . LYS A 1 7 ? 3.620 5.914 -0.055 1.00 0.00 ? 7 LYS A HD2 6 ATOM 2934 H HD3 . LYS A 1 7 ? 5.257 5.655 0.655 1.00 0.00 ? 7 LYS A HD3 6 ATOM 2935 H HE2 . LYS A 1 7 ? 5.996 4.509 -1.497 1.00 0.00 ? 7 LYS A HE2 6 ATOM 2936 H HE3 . LYS A 1 7 ? 4.419 4.974 -2.250 1.00 0.00 ? 7 LYS A HE3 6 ATOM 2937 H HZ1 . LYS A 1 7 ? 6.360 6.927 -1.072 1.00 0.00 ? 7 LYS A HZ1 6 ATOM 2938 H HZ2 . LYS A 1 7 ? 6.321 6.466 -2.698 1.00 0.00 ? 7 LYS A HZ2 6 ATOM 2939 H HZ3 . LYS A 1 7 ? 4.994 7.269 -2.020 1.00 0.00 ? 7 LYS A HZ3 6 ATOM 2940 N N . GLN A 1 8 ? 3.714 3.270 4.754 1.00 0.00 ? 8 GLN A N 6 ATOM 2941 C CA . GLN A 1 8 ? 3.394 3.331 6.174 1.00 0.00 ? 8 GLN A CA 6 ATOM 2942 C C . GLN A 1 8 ? 2.288 4.368 6.380 1.00 0.00 ? 8 GLN A C 6 ATOM 2943 O O . GLN A 1 8 ? 1.358 4.473 5.578 1.00 0.00 ? 8 GLN A O 6 ATOM 2944 C CB . GLN A 1 8 ? 4.661 3.650 7.051 1.00 0.00 ? 8 GLN A CB 6 ATOM 2945 C CG . GLN A 1 8 ? 5.744 2.540 7.043 1.00 0.00 ? 8 GLN A CG 6 ATOM 2946 C CD . GLN A 1 8 ? 6.983 2.965 7.855 1.00 0.00 ? 8 GLN A CD 6 ATOM 2947 O OE1 . GLN A 1 8 ? 7.143 4.140 8.174 1.00 0.00 ? 8 GLN A OE1 6 ATOM 2948 N NE2 . GLN A 1 8 ? 7.884 2.017 8.227 1.00 0.00 ? 8 GLN A NE2 6 ATOM 2949 H H . GLN A 1 8 ? 4.254 4.043 4.443 1.00 0.00 ? 8 GLN A H 6 ATOM 2950 H HA . GLN A 1 8 ? 3.000 2.376 6.506 1.00 0.00 ? 8 GLN A HA 6 ATOM 2951 H HB2 . GLN A 1 8 ? 5.123 4.604 6.704 1.00 0.00 ? 8 GLN A HB2 6 ATOM 2952 H HB3 . GLN A 1 8 ? 4.401 3.766 8.127 1.00 0.00 ? 8 GLN A HB3 6 ATOM 2953 H HG2 . GLN A 1 8 ? 5.302 1.620 7.480 1.00 0.00 ? 8 GLN A HG2 6 ATOM 2954 H HG3 . GLN A 1 8 ? 6.064 2.330 6.004 1.00 0.00 ? 8 GLN A HG3 6 ATOM 2955 H HE21 . GLN A 1 8 ? 7.699 1.059 8.015 1.00 0.00 ? 8 GLN A HE21 6 ATOM 2956 H HE22 . GLN A 1 8 ? 8.626 2.290 8.841 1.00 0.00 ? 8 GLN A HE22 6 ATOM 2957 N N . ALA A 1 9 ? 2.346 5.151 7.496 1.00 0.00 ? 9 ALA A N 6 ATOM 2958 C CA . ALA A 1 9 ? 1.364 6.123 7.917 1.00 0.00 ? 9 ALA A CA 6 ATOM 2959 C C . ALA A 1 9 ? 1.871 7.493 7.529 1.00 0.00 ? 9 ALA A C 6 ATOM 2960 O O . ALA A 1 9 ? 2.893 7.631 6.863 1.00 0.00 ? 9 ALA A O 6 ATOM 2961 C CB . ALA A 1 9 ? 1.127 6.034 9.450 1.00 0.00 ? 9 ALA A CB 6 ATOM 2962 H H . ALA A 1 9 ? 3.163 5.222 8.056 1.00 0.00 ? 9 ALA A H 6 ATOM 2963 H HA . ALA A 1 9 ? 0.422 5.952 7.411 1.00 0.00 ? 9 ALA A HA 6 ATOM 2964 H HB1 . ALA A 1 9 ? 2.076 6.171 10.025 1.00 0.00 ? 9 ALA A HB1 6 ATOM 2965 H HB2 . ALA A 1 9 ? 0.376 6.765 9.818 1.00 0.00 ? 9 ALA A HB2 6 ATOM 2966 H HB3 . ALA A 1 9 ? 0.732 5.025 9.692 1.00 0.00 ? 9 ALA A HB3 6 ATOM 2967 N N . SER A 1 10 ? 1.150 8.552 7.940 1.00 0.00 ? 10 SER A N 6 ATOM 2968 C CA . SER A 1 10 ? 1.473 9.932 7.609 1.00 0.00 ? 10 SER A CA 6 ATOM 2969 C C . SER A 1 10 ? 1.527 10.758 8.865 1.00 0.00 ? 10 SER A C 6 ATOM 2970 O O . SER A 1 10 ? 1.328 11.968 8.836 1.00 0.00 ? 10 SER A O 6 ATOM 2971 C CB . SER A 1 10 ? 0.432 10.584 6.640 1.00 0.00 ? 10 SER A CB 6 ATOM 2972 O OG . SER A 1 10 ? 0.149 9.757 5.507 1.00 0.00 ? 10 SER A OG 6 ATOM 2973 H H . SER A 1 10 ? 0.288 8.376 8.397 1.00 0.00 ? 10 SER A H 6 ATOM 2974 H HA . SER A 1 10 ? 2.466 10.000 7.196 1.00 0.00 ? 10 SER A HA 6 ATOM 2975 H HB2 . SER A 1 10 ? -0.535 10.771 7.159 1.00 0.00 ? 10 SER A HB2 6 ATOM 2976 H HB3 . SER A 1 10 ? 0.814 11.568 6.290 1.00 0.00 ? 10 SER A HB3 6 ATOM 2977 H HG . SER A 1 10 ? 0.990 9.403 5.193 1.00 0.00 ? 10 SER A HG 6 ATOM 2978 N N . GLN A 1 11 ? 1.795 10.089 10.013 1.00 0.00 ? 11 GLN A N 6 ATOM 2979 C CA . GLN A 1 11 ? 1.665 10.646 11.347 1.00 0.00 ? 11 GLN A CA 6 ATOM 2980 C C . GLN A 1 11 ? 3.017 11.062 11.876 1.00 0.00 ? 11 GLN A C 6 ATOM 2981 O O . GLN A 1 11 ? 3.177 12.130 12.465 1.00 0.00 ? 11 GLN A O 6 ATOM 2982 C CB . GLN A 1 11 ? 0.887 9.680 12.286 1.00 0.00 ? 11 GLN A CB 6 ATOM 2983 C CG . GLN A 1 11 ? 1.400 8.226 12.501 1.00 0.00 ? 11 GLN A CG 6 ATOM 2984 C CD . GLN A 1 11 ? 2.025 8.052 13.903 1.00 0.00 ? 11 GLN A CD 6 ATOM 2985 O OE1 . GLN A 1 11 ? 2.723 8.961 14.338 1.00 0.00 ? 11 GLN A OE1 6 ATOM 2986 N NE2 . GLN A 1 11 ? 1.777 6.923 14.628 1.00 0.00 ? 11 GLN A NE2 6 ATOM 2987 H H . GLN A 1 11 ? 2.042 9.120 9.966 1.00 0.00 ? 11 GLN A H 6 ATOM 2988 H HA . GLN A 1 11 ? 1.071 11.553 11.309 1.00 0.00 ? 11 GLN A HA 6 ATOM 2989 H HB2 . GLN A 1 11 ? 0.683 10.186 13.250 1.00 0.00 ? 11 GLN A HB2 6 ATOM 2990 H HB3 . GLN A 1 11 ? -0.090 9.573 11.766 1.00 0.00 ? 11 GLN A HB3 6 ATOM 2991 H HG2 . GLN A 1 11 ? 0.517 7.558 12.403 1.00 0.00 ? 11 GLN A HG2 6 ATOM 2992 H HG3 . GLN A 1 11 ? 2.118 7.937 11.710 1.00 0.00 ? 11 GLN A HG3 6 ATOM 2993 H HE21 . GLN A 1 11 ? 1.253 6.170 14.231 1.00 0.00 ? 11 GLN A HE21 6 ATOM 2994 H HE22 . GLN A 1 11 ? 1.953 6.945 15.617 1.00 0.00 ? 11 GLN A HE22 6 ATOM 2995 N N . ASP A 1 12 ? 4.056 10.243 11.576 1.00 0.00 ? 12 ASP A N 6 ATOM 2996 C CA . ASP A 1 12 ? 5.455 10.262 12.012 1.00 0.00 ? 12 ASP A CA 6 ATOM 2997 C C . ASP A 1 12 ? 6.213 11.386 11.332 1.00 0.00 ? 12 ASP A C 6 ATOM 2998 O O . ASP A 1 12 ? 7.194 11.929 11.835 1.00 0.00 ? 12 ASP A O 6 ATOM 2999 C CB . ASP A 1 12 ? 6.214 8.913 11.667 1.00 0.00 ? 12 ASP A CB 6 ATOM 3000 C CG . ASP A 1 12 ? 5.324 7.647 11.672 1.00 0.00 ? 12 ASP A CG 6 ATOM 3001 O OD1 . ASP A 1 12 ? 4.282 7.700 10.961 1.00 0.00 ? 12 ASP A OD1 6 ATOM 3002 O OD2 . ASP A 1 12 ? 5.629 6.595 12.311 1.00 0.00 ? 12 ASP A OD2 6 ATOM 3003 H H . ASP A 1 12 ? 3.873 9.355 11.122 1.00 0.00 ? 12 ASP A H 6 ATOM 3004 H HA . ASP A 1 12 ? 5.470 10.424 13.083 1.00 0.00 ? 12 ASP A HA 6 ATOM 3005 H HB2 . ASP A 1 12 ? 6.626 8.917 10.633 1.00 0.00 ? 12 ASP A HB2 6 ATOM 3006 H HB3 . ASP A 1 12 ? 7.067 8.786 12.364 1.00 0.00 ? 12 ASP A HB3 6 ATOM 3007 N N . ALA A 1 13 ? 5.664 11.749 10.137 1.00 0.00 ? 13 ALA A N 6 ATOM 3008 C CA . ALA A 1 13 ? 6.067 12.821 9.261 1.00 0.00 ? 13 ALA A CA 6 ATOM 3009 C C . ALA A 1 13 ? 5.373 14.123 9.613 1.00 0.00 ? 13 ALA A C 6 ATOM 3010 O O . ALA A 1 13 ? 5.840 15.177 9.183 1.00 0.00 ? 13 ALA A O 6 ATOM 3011 C CB . ALA A 1 13 ? 5.753 12.488 7.776 1.00 0.00 ? 13 ALA A CB 6 ATOM 3012 H H . ALA A 1 13 ? 4.859 11.244 9.824 1.00 0.00 ? 13 ALA A H 6 ATOM 3013 H HA . ALA A 1 13 ? 7.135 12.971 9.360 1.00 0.00 ? 13 ALA A HA 6 ATOM 3014 H HB1 . ALA A 1 13 ? 4.673 12.271 7.612 1.00 0.00 ? 13 ALA A HB1 6 ATOM 3015 H HB2 . ALA A 1 13 ? 6.058 13.313 7.090 1.00 0.00 ? 13 ALA A HB2 6 ATOM 3016 H HB3 . ALA A 1 13 ? 6.320 11.578 7.482 1.00 0.00 ? 13 ALA A HB3 6 ATOM 3017 N N . GLU A 1 14 ? 4.253 14.101 10.407 1.00 0.00 ? 14 GLU A N 6 ATOM 3018 C CA . GLU A 1 14 ? 3.585 15.276 10.940 1.00 0.00 ? 14 GLU A CA 6 ATOM 3019 C C . GLU A 1 14 ? 4.170 15.600 12.291 1.00 0.00 ? 14 GLU A C 6 ATOM 3020 O O . GLU A 1 14 ? 4.558 16.733 12.565 1.00 0.00 ? 14 GLU A O 6 ATOM 3021 C CB . GLU A 1 14 ? 2.050 15.104 11.126 1.00 0.00 ? 14 GLU A CB 6 ATOM 3022 C CG . GLU A 1 14 ? 1.333 16.428 11.461 1.00 0.00 ? 14 GLU A CG 6 ATOM 3023 C CD . GLU A 1 14 ? 0.236 16.266 12.513 1.00 0.00 ? 14 GLU A CD 6 ATOM 3024 O OE1 . GLU A 1 14 ? -0.624 15.362 12.378 1.00 0.00 ? 14 GLU A OE1 6 ATOM 3025 O OE2 . GLU A 1 14 ? 0.260 17.092 13.476 1.00 0.00 ? 14 GLU A OE2 6 ATOM 3026 H H . GLU A 1 14 ? 3.853 13.257 10.759 1.00 0.00 ? 14 GLU A H 6 ATOM 3027 H HA . GLU A 1 14 ? 3.756 16.118 10.280 1.00 0.00 ? 14 GLU A HA 6 ATOM 3028 H HB2 . GLU A 1 14 ? 1.623 14.758 10.163 1.00 0.00 ? 14 GLU A HB2 6 ATOM 3029 H HB3 . GLU A 1 14 ? 1.789 14.314 11.867 1.00 0.00 ? 14 GLU A HB3 6 ATOM 3030 H HG2 . GLU A 1 14 ? 2.069 17.178 11.818 1.00 0.00 ? 14 GLU A HG2 6 ATOM 3031 H HG3 . GLU A 1 14 ? 0.897 16.800 10.516 1.00 0.00 ? 14 GLU A HG3 6 ATOM 3032 N N . GLN A 1 15 ? 4.260 14.571 13.190 1.00 0.00 ? 15 GLN A N 6 ATOM 3033 C CA . GLN A 1 15 ? 4.597 14.712 14.610 1.00 0.00 ? 15 GLN A CA 6 ATOM 3034 C C . GLN A 1 15 ? 6.007 15.218 14.831 1.00 0.00 ? 15 GLN A C 6 ATOM 3035 O O . GLN A 1 15 ? 6.253 16.085 15.666 1.00 0.00 ? 15 GLN A O 6 ATOM 3036 C CB . GLN A 1 15 ? 4.367 13.414 15.417 1.00 0.00 ? 15 GLN A CB 6 ATOM 3037 C CG . GLN A 1 15 ? 4.604 13.637 16.924 1.00 0.00 ? 15 GLN A CG 6 ATOM 3038 C CD . GLN A 1 15 ? 3.617 12.829 17.740 1.00 0.00 ? 15 GLN A CD 6 ATOM 3039 O OE1 . GLN A 1 15 ? 3.595 11.600 17.771 1.00 0.00 ? 15 GLN A OE1 6 ATOM 3040 N NE2 . GLN A 1 15 ? 2.715 13.548 18.444 1.00 0.00 ? 15 GLN A NE2 6 ATOM 3041 H H . GLN A 1 15 ? 3.951 13.641 12.922 1.00 0.00 ? 15 GLN A H 6 ATOM 3042 H HA . GLN A 1 15 ? 3.920 15.441 15.040 1.00 0.00 ? 15 GLN A HA 6 ATOM 3043 H HB2 . GLN A 1 15 ? 3.314 13.100 15.229 1.00 0.00 ? 15 GLN A HB2 6 ATOM 3044 H HB3 . GLN A 1 15 ? 5.010 12.577 15.061 1.00 0.00 ? 15 GLN A HB3 6 ATOM 3045 H HG2 . GLN A 1 15 ? 5.642 13.346 17.194 1.00 0.00 ? 15 GLN A HG2 6 ATOM 3046 H HG3 . GLN A 1 15 ? 4.506 14.720 17.165 1.00 0.00 ? 15 GLN A HG3 6 ATOM 3047 H HE21 . GLN A 1 15 ? 2.792 14.541 18.494 1.00 0.00 ? 15 GLN A HE21 6 ATOM 3048 H HE22 . GLN A 1 15 ? 1.987 13.071 18.920 1.00 0.00 ? 15 GLN A HE22 6 ATOM 3049 N N . ALA A 1 16 ? 6.925 14.821 13.914 1.00 0.00 ? 16 ALA A N 6 ATOM 3050 C CA . ALA A 1 16 ? 8.284 15.318 13.769 1.00 0.00 ? 16 ALA A CA 6 ATOM 3051 C C . ALA A 1 16 ? 8.419 16.815 13.440 1.00 0.00 ? 16 ALA A C 6 ATOM 3052 O O . ALA A 1 16 ? 9.493 17.391 13.583 1.00 0.00 ? 16 ALA A O 6 ATOM 3053 C CB . ALA A 1 16 ? 9.007 14.496 12.675 1.00 0.00 ? 16 ALA A CB 6 ATOM 3054 H H . ALA A 1 16 ? 6.662 14.117 13.253 1.00 0.00 ? 16 ALA A H 6 ATOM 3055 H HA . ALA A 1 16 ? 8.791 15.143 14.710 1.00 0.00 ? 16 ALA A HA 6 ATOM 3056 H HB1 . ALA A 1 16 ? 8.920 13.412 12.903 1.00 0.00 ? 16 ALA A HB1 6 ATOM 3057 H HB2 . ALA A 1 16 ? 8.562 14.661 11.667 1.00 0.00 ? 16 ALA A HB2 6 ATOM 3058 H HB3 . ALA A 1 16 ? 10.090 14.740 12.626 1.00 0.00 ? 16 ALA A HB3 6 ATOM 3059 N N . ALA A 1 17 ? 7.304 17.486 13.027 1.00 0.00 ? 17 ALA A N 6 ATOM 3060 C CA . ALA A 1 17 ? 7.205 18.935 12.832 1.00 0.00 ? 17 ALA A CA 6 ATOM 3061 C C . ALA A 1 17 ? 6.742 19.674 14.076 1.00 0.00 ? 17 ALA A C 6 ATOM 3062 O O . ALA A 1 17 ? 7.060 20.847 14.265 1.00 0.00 ? 17 ALA A O 6 ATOM 3063 C CB . ALA A 1 17 ? 6.293 19.317 11.635 1.00 0.00 ? 17 ALA A CB 6 ATOM 3064 H H . ALA A 1 17 ? 6.434 16.989 12.911 1.00 0.00 ? 17 ALA A H 6 ATOM 3065 H HA . ALA A 1 17 ? 8.195 19.319 12.609 1.00 0.00 ? 17 ALA A HA 6 ATOM 3066 H HB1 . ALA A 1 17 ? 6.645 18.790 10.722 1.00 0.00 ? 17 ALA A HB1 6 ATOM 3067 H HB2 . ALA A 1 17 ? 5.236 19.009 11.802 1.00 0.00 ? 17 ALA A HB2 6 ATOM 3068 H HB3 . ALA A 1 17 ? 6.316 20.413 11.420 1.00 0.00 ? 17 ALA A HB3 6 ATOM 3069 N N . LYS A 1 18 ? 5.966 18.972 14.954 1.00 0.00 ? 18 LYS A N 6 ATOM 3070 C CA . LYS A 1 18 ? 5.427 19.450 16.225 1.00 0.00 ? 18 LYS A CA 6 ATOM 3071 C C . LYS A 1 18 ? 6.383 19.173 17.355 1.00 0.00 ? 18 LYS A C 6 ATOM 3072 O O . LYS A 1 18 ? 6.406 19.885 18.354 1.00 0.00 ? 18 LYS A O 6 ATOM 3073 C CB . LYS A 1 18 ? 4.044 18.835 16.582 1.00 0.00 ? 18 LYS A CB 6 ATOM 3074 C CG . LYS A 1 18 ? 2.964 19.364 15.638 1.00 0.00 ? 18 LYS A CG 6 ATOM 3075 C CD . LYS A 1 18 ? 1.534 19.016 16.069 1.00 0.00 ? 18 LYS A CD 6 ATOM 3076 C CE . LYS A 1 18 ? 0.464 19.836 15.334 1.00 0.00 ? 18 LYS A CE 6 ATOM 3077 N NZ . LYS A 1 18 ? 0.545 19.575 13.880 1.00 0.00 ? 18 LYS A NZ 6 ATOM 3078 H H . LYS A 1 18 ? 5.735 18.021 14.741 1.00 0.00 ? 18 LYS A H 6 ATOM 3079 H HA . LYS A 1 18 ? 5.295 20.527 16.181 1.00 0.00 ? 18 LYS A HA 6 ATOM 3080 H HB2 . LYS A 1 18 ? 4.068 17.720 16.536 1.00 0.00 ? 18 LYS A HB2 6 ATOM 3081 H HB3 . LYS A 1 18 ? 3.736 19.128 17.614 1.00 0.00 ? 18 LYS A HB3 6 ATOM 3082 H HG2 . LYS A 1 18 ? 3.067 20.471 15.646 1.00 0.00 ? 18 LYS A HG2 6 ATOM 3083 H HG3 . LYS A 1 18 ? 3.188 18.986 14.615 1.00 0.00 ? 18 LYS A HG3 6 ATOM 3084 H HD2 . LYS A 1 18 ? 1.332 17.928 15.922 1.00 0.00 ? 18 LYS A HD2 6 ATOM 3085 H HD3 . LYS A 1 18 ? 1.427 19.243 17.154 1.00 0.00 ? 18 LYS A HD3 6 ATOM 3086 H HE2 . LYS A 1 18 ? -0.543 19.523 15.689 1.00 0.00 ? 18 LYS A HE2 6 ATOM 3087 H HE3 . LYS A 1 18 ? 0.591 20.928 15.501 1.00 0.00 ? 18 LYS A HE3 6 ATOM 3088 H HZ1 . LYS A 1 18 ? 0.474 18.502 13.759 1.00 0.00 ? 18 LYS A HZ1 6 ATOM 3089 H HZ2 . LYS A 1 18 ? -0.238 20.000 13.347 1.00 0.00 ? 18 LYS A HZ2 6 ATOM 3090 H HZ3 . LYS A 1 18 ? 1.461 19.887 13.502 1.00 0.00 ? 18 LYS A HZ3 6 ATOM 3091 N N . ASP A 1 19 ? 7.272 18.157 17.189 1.00 0.00 ? 19 ASP A N 6 ATOM 3092 C CA . ASP A 1 19 ? 8.328 17.741 18.117 1.00 0.00 ? 19 ASP A CA 6 ATOM 3093 C C . ASP A 1 19 ? 9.557 18.637 18.040 1.00 0.00 ? 19 ASP A C 6 ATOM 3094 O O . ASP A 1 19 ? 10.559 18.427 18.719 1.00 0.00 ? 19 ASP A O 6 ATOM 3095 C CB . ASP A 1 19 ? 8.759 16.258 17.888 1.00 0.00 ? 19 ASP A CB 6 ATOM 3096 C CG . ASP A 1 19 ? 7.644 15.286 18.252 1.00 0.00 ? 19 ASP A CG 6 ATOM 3097 O OD1 . ASP A 1 19 ? 6.606 15.703 18.845 1.00 0.00 ? 19 ASP A OD1 6 ATOM 3098 O OD2 . ASP A 1 19 ? 7.840 14.083 17.938 1.00 0.00 ? 19 ASP A OD2 6 ATOM 3099 H H . ASP A 1 19 ? 7.110 17.477 16.463 1.00 0.00 ? 19 ASP A H 6 ATOM 3100 H HA . ASP A 1 19 ? 7.945 17.813 19.125 1.00 0.00 ? 19 ASP A HA 6 ATOM 3101 H HB2 . ASP A 1 19 ? 9.041 16.091 16.829 1.00 0.00 ? 19 ASP A HB2 6 ATOM 3102 H HB3 . ASP A 1 19 ? 9.622 15.966 18.522 1.00 0.00 ? 19 ASP A HB3 6 ATOM 3103 N N . ALA A 1 20 ? 9.446 19.728 17.242 1.00 0.00 ? 20 ALA A N 6 ATOM 3104 C CA . ALA A 1 20 ? 10.299 20.901 17.233 1.00 0.00 ? 20 ALA A CA 6 ATOM 3105 C C . ALA A 1 20 ? 9.768 21.957 18.194 1.00 0.00 ? 20 ALA A C 6 ATOM 3106 O O . ALA A 1 20 ? 10.542 22.662 18.834 1.00 0.00 ? 20 ALA A O 6 ATOM 3107 C CB . ALA A 1 20 ? 10.376 21.518 15.814 1.00 0.00 ? 20 ALA A CB 6 ATOM 3108 H H . ALA A 1 20 ? 8.644 19.775 16.650 1.00 0.00 ? 20 ALA A H 6 ATOM 3109 H HA . ALA A 1 20 ? 11.296 20.629 17.555 1.00 0.00 ? 20 ALA A HA 6 ATOM 3110 H HB1 . ALA A 1 20 ? 9.362 21.743 15.408 1.00 0.00 ? 20 ALA A HB1 6 ATOM 3111 H HB2 . ALA A 1 20 ? 10.987 22.449 15.778 1.00 0.00 ? 20 ALA A HB2 6 ATOM 3112 H HB3 . ALA A 1 20 ? 10.841 20.784 15.125 1.00 0.00 ? 20 ALA A HB3 6 ATOM 3113 N N . GLU A 1 21 ? 8.418 22.070 18.350 1.00 0.00 ? 21 GLU A N 6 ATOM 3114 C CA . GLU A 1 21 ? 7.740 23.095 19.148 1.00 0.00 ? 21 GLU A CA 6 ATOM 3115 C C . GLU A 1 21 ? 7.570 22.584 20.571 1.00 0.00 ? 21 GLU A C 6 ATOM 3116 O O . GLU A 1 21 ? 7.716 23.319 21.541 1.00 0.00 ? 21 GLU A O 6 ATOM 3117 C CB . GLU A 1 21 ? 6.369 23.506 18.528 1.00 0.00 ? 21 GLU A CB 6 ATOM 3118 C CG . GLU A 1 21 ? 6.477 24.366 17.242 1.00 0.00 ? 21 GLU A CG 6 ATOM 3119 C CD . GLU A 1 21 ? 5.097 24.521 16.587 1.00 0.00 ? 21 GLU A CD 6 ATOM 3120 O OE1 . GLU A 1 21 ? 4.294 23.559 16.730 1.00 0.00 ? 21 GLU A OE1 6 ATOM 3121 O OE2 . GLU A 1 21 ? 4.838 25.569 15.936 1.00 0.00 ? 21 GLU A OE2 6 ATOM 3122 H H . GLU A 1 21 ? 7.804 21.422 17.904 1.00 0.00 ? 21 GLU A H 6 ATOM 3123 H HA . GLU A 1 21 ? 8.359 23.985 19.198 1.00 0.00 ? 21 GLU A HA 6 ATOM 3124 H HB2 . GLU A 1 21 ? 5.790 22.582 18.297 1.00 0.00 ? 21 GLU A HB2 6 ATOM 3125 H HB3 . GLU A 1 21 ? 5.770 24.119 19.240 1.00 0.00 ? 21 GLU A HB3 6 ATOM 3126 H HG2 . GLU A 1 21 ? 6.877 25.374 17.494 1.00 0.00 ? 21 GLU A HG2 6 ATOM 3127 H HG3 . GLU A 1 21 ? 7.160 23.902 16.500 1.00 0.00 ? 21 GLU A HG3 6 ATOM 3128 N N . ASN A 1 22 ? 7.394 21.237 20.700 1.00 0.00 ? 22 ASN A N 6 ATOM 3129 C CA . ASN A 1 22 ? 7.453 20.408 21.910 1.00 0.00 ? 22 ASN A CA 6 ATOM 3130 C C . ASN A 1 22 ? 8.858 20.126 22.377 1.00 0.00 ? 22 ASN A C 6 ATOM 3131 O O . ASN A 1 22 ? 9.034 19.486 23.406 1.00 0.00 ? 22 ASN A O 6 ATOM 3132 C CB . ASN A 1 22 ? 6.777 18.997 21.794 1.00 0.00 ? 22 ASN A CB 6 ATOM 3133 C CG . ASN A 1 22 ? 5.284 19.079 22.038 1.00 0.00 ? 22 ASN A CG 6 ATOM 3134 O OD1 . ASN A 1 22 ? 4.860 19.428 23.148 1.00 0.00 ? 22 ASN A OD1 6 ATOM 3135 N ND2 . ASN A 1 22 ? 4.469 18.697 21.025 1.00 0.00 ? 22 ASN A ND2 6 ATOM 3136 H H . ASN A 1 22 ? 7.184 20.737 19.861 1.00 0.00 ? 22 ASN A H 6 ATOM 3137 H HA . ASN A 1 22 ? 6.994 20.960 22.711 1.00 0.00 ? 22 ASN A HA 6 ATOM 3138 H HB2 . ASN A 1 22 ? 7.003 18.542 20.808 1.00 0.00 ? 22 ASN A HB2 6 ATOM 3139 H HB3 . ASN A 1 22 ? 7.094 18.254 22.562 1.00 0.00 ? 22 ASN A HB3 6 ATOM 3140 H HD21 . ASN A 1 22 ? 4.869 18.339 20.179 1.00 0.00 ? 22 ASN A HD21 6 ATOM 3141 H HD22 . ASN A 1 22 ? 3.484 18.639 21.178 1.00 0.00 ? 22 ASN A HD22 6 ATOM 3142 N N . ALA A 1 23 ? 9.888 20.636 21.659 1.00 0.00 ? 23 ALA A N 6 ATOM 3143 C CA . ALA A 1 23 ? 11.273 20.645 22.094 1.00 0.00 ? 23 ALA A CA 6 ATOM 3144 C C . ALA A 1 23 ? 11.568 21.917 22.850 1.00 0.00 ? 23 ALA A C 6 ATOM 3145 O O . ALA A 1 23 ? 12.082 21.883 23.961 1.00 0.00 ? 23 ALA A O 6 ATOM 3146 C CB . ALA A 1 23 ? 12.248 20.481 20.909 1.00 0.00 ? 23 ALA A CB 6 ATOM 3147 H H . ALA A 1 23 ? 9.705 21.103 20.799 1.00 0.00 ? 23 ALA A H 6 ATOM 3148 H HA . ALA A 1 23 ? 11.450 19.825 22.781 1.00 0.00 ? 23 ALA A HA 6 ATOM 3149 H HB1 . ALA A 1 23 ? 11.971 19.561 20.352 1.00 0.00 ? 23 ALA A HB1 6 ATOM 3150 H HB2 . ALA A 1 23 ? 12.221 21.336 20.195 1.00 0.00 ? 23 ALA A HB2 6 ATOM 3151 H HB3 . ALA A 1 23 ? 13.294 20.347 21.261 1.00 0.00 ? 23 ALA A HB3 6 ATOM 3152 N N . SER A 1 24 ? 11.231 23.097 22.272 1.00 0.00 ? 24 SER A N 6 ATOM 3153 C CA . SER A 1 24 ? 11.467 24.416 22.842 1.00 0.00 ? 24 SER A CA 6 ATOM 3154 C C . SER A 1 24 ? 10.345 24.971 23.701 1.00 0.00 ? 24 SER A C 6 ATOM 3155 O O . SER A 1 24 ? 10.384 26.136 24.082 1.00 0.00 ? 24 SER A O 6 ATOM 3156 C CB . SER A 1 24 ? 11.862 25.422 21.721 1.00 0.00 ? 24 SER A CB 6 ATOM 3157 O OG . SER A 1 24 ? 11.132 25.168 20.520 1.00 0.00 ? 24 SER A OG 6 ATOM 3158 H H . SER A 1 24 ? 10.898 23.150 21.328 1.00 0.00 ? 24 SER A H 6 ATOM 3159 H HA . SER A 1 24 ? 12.311 24.359 23.520 1.00 0.00 ? 24 SER A HA 6 ATOM 3160 H HB2 . SER A 1 24 ? 11.786 26.498 22.006 1.00 0.00 ? 24 SER A HB2 6 ATOM 3161 H HB3 . SER A 1 24 ? 12.933 25.238 21.479 1.00 0.00 ? 24 SER A HB3 6 ATOM 3162 H HG . SER A 1 24 ? 10.251 25.561 20.589 1.00 0.00 ? 24 SER A HG 6 ATOM 3163 N N . LYS A 1 25 ? 9.336 24.148 24.103 1.00 0.00 ? 25 LYS A N 6 ATOM 3164 C CA . LYS A 1 25 ? 8.224 24.562 24.965 1.00 0.00 ? 25 LYS A CA 6 ATOM 3165 C C . LYS A 1 25 ? 8.621 24.475 26.419 1.00 0.00 ? 25 LYS A C 6 ATOM 3166 O O . LYS A 1 25 ? 8.147 25.214 27.279 1.00 0.00 ? 25 LYS A O 6 ATOM 3167 C CB . LYS A 1 25 ? 6.922 23.768 24.678 1.00 0.00 ? 25 LYS A CB 6 ATOM 3168 C CG . LYS A 1 25 ? 6.846 22.253 24.953 1.00 0.00 ? 25 LYS A CG 6 ATOM 3169 C CD . LYS A 1 25 ? 6.441 21.816 26.366 1.00 0.00 ? 25 LYS A CD 6 ATOM 3170 C CE . LYS A 1 25 ? 5.960 20.353 26.474 1.00 0.00 ? 25 LYS A CE 6 ATOM 3171 N NZ . LYS A 1 25 ? 4.696 20.099 25.717 1.00 0.00 ? 25 LYS A NZ 6 ATOM 3172 H H . LYS A 1 25 ? 9.258 23.239 23.697 1.00 0.00 ? 25 LYS A H 6 ATOM 3173 H HA . LYS A 1 25 ? 7.994 25.604 24.760 1.00 0.00 ? 25 LYS A HA 6 ATOM 3174 H HB2 . LYS A 1 25 ? 6.051 24.267 25.145 1.00 0.00 ? 25 LYS A HB2 6 ATOM 3175 H HB3 . LYS A 1 25 ? 6.778 23.861 23.581 1.00 0.00 ? 25 LYS A HB3 6 ATOM 3176 H HG2 . LYS A 1 25 ? 6.035 21.906 24.272 1.00 0.00 ? 25 LYS A HG2 6 ATOM 3177 H HG3 . LYS A 1 25 ? 7.786 21.737 24.665 1.00 0.00 ? 25 LYS A HG3 6 ATOM 3178 H HD2 . LYS A 1 25 ? 7.330 21.897 27.028 1.00 0.00 ? 25 LYS A HD2 6 ATOM 3179 H HD3 . LYS A 1 25 ? 5.681 22.519 26.771 1.00 0.00 ? 25 LYS A HD3 6 ATOM 3180 H HE2 . LYS A 1 25 ? 6.735 19.653 26.093 1.00 0.00 ? 25 LYS A HE2 6 ATOM 3181 H HE3 . LYS A 1 25 ? 5.761 20.119 27.545 1.00 0.00 ? 25 LYS A HE3 6 ATOM 3182 H HZ1 . LYS A 1 25 ? 4.041 20.904 25.782 1.00 0.00 ? 25 LYS A HZ1 6 ATOM 3183 H HZ2 . LYS A 1 25 ? 4.862 19.883 24.688 1.00 0.00 ? 25 LYS A HZ2 6 ATOM 3184 H HZ3 . LYS A 1 25 ? 4.229 19.266 26.122 1.00 0.00 ? 25 LYS A HZ3 6 ATOM 3185 N N . GLU A 1 26 ? 9.603 23.567 26.662 1.00 0.00 ? 26 GLU A N 6 ATOM 3186 C CA . GLU A 1 26 ? 10.351 23.393 27.891 1.00 0.00 ? 26 GLU A CA 6 ATOM 3187 C C . GLU A 1 26 ? 11.626 24.231 27.905 1.00 0.00 ? 26 GLU A C 6 ATOM 3188 O O . GLU A 1 26 ? 12.586 23.962 28.619 1.00 0.00 ? 26 GLU A O 6 ATOM 3189 C CB . GLU A 1 26 ? 10.578 21.890 28.160 1.00 0.00 ? 26 GLU A CB 6 ATOM 3190 C CG . GLU A 1 26 ? 10.973 21.551 29.619 1.00 0.00 ? 26 GLU A CG 6 ATOM 3191 C CD . GLU A 1 26 ? 10.420 20.202 30.076 1.00 0.00 ? 26 GLU A CD 6 ATOM 3192 O OE1 . GLU A 1 26 ? 9.525 19.669 29.360 1.00 0.00 ? 26 GLU A OE1 6 ATOM 3193 O OE2 . GLU A 1 26 ? 10.859 19.704 31.149 1.00 0.00 ? 26 GLU A OE2 6 ATOM 3194 H H . GLU A 1 26 ? 9.876 22.969 25.906 1.00 0.00 ? 26 GLU A H 6 ATOM 3195 H HA . GLU A 1 26 ? 9.742 23.743 28.715 1.00 0.00 ? 26 GLU A HA 6 ATOM 3196 H HB2 . GLU A 1 26 ? 9.587 21.433 27.949 1.00 0.00 ? 26 GLU A HB2 6 ATOM 3197 H HB3 . GLU A 1 26 ? 11.300 21.431 27.447 1.00 0.00 ? 26 GLU A HB3 6 ATOM 3198 H HG2 . GLU A 1 26 ? 12.081 21.550 29.691 1.00 0.00 ? 26 GLU A HG2 6 ATOM 3199 H HG3 . GLU A 1 26 ? 10.567 22.318 30.307 1.00 0.00 ? 26 GLU A HG3 6 ATOM 3200 N N . ALA A 1 27 ? 11.638 25.354 27.133 1.00 0.00 ? 27 ALA A N 6 ATOM 3201 C CA . ALA A 1 27 ? 12.591 26.453 27.237 1.00 0.00 ? 27 ALA A CA 6 ATOM 3202 C C . ALA A 1 27 ? 12.088 27.529 28.182 1.00 0.00 ? 27 ALA A C 6 ATOM 3203 O O . ALA A 1 27 ? 12.751 28.555 28.359 1.00 0.00 ? 27 ALA A O 6 ATOM 3204 C CB . ALA A 1 27 ? 12.935 27.118 25.874 1.00 0.00 ? 27 ALA A CB 6 ATOM 3205 H H . ALA A 1 27 ? 10.855 25.537 26.541 1.00 0.00 ? 27 ALA A H 6 ATOM 3206 H HA . ALA A 1 27 ? 13.520 26.074 27.652 1.00 0.00 ? 27 ALA A HA 6 ATOM 3207 H HB1 . ALA A 1 27 ? 13.321 26.350 25.173 1.00 0.00 ? 27 ALA A HB1 6 ATOM 3208 H HB2 . ALA A 1 27 ? 12.045 27.580 25.395 1.00 0.00 ? 27 ALA A HB2 6 ATOM 3209 H HB3 . ALA A 1 27 ? 13.718 27.903 25.990 1.00 0.00 ? 27 ALA A HB3 6 ATOM 3210 N N . GLU A 1 28 ? 10.903 27.296 28.838 1.00 0.00 ? 28 GLU A N 6 ATOM 3211 C CA . GLU A 1 28 ? 10.138 28.242 29.657 1.00 0.00 ? 28 GLU A CA 6 ATOM 3212 C C . GLU A 1 28 ? 10.838 28.564 30.970 1.00 0.00 ? 28 GLU A C 6 ATOM 3213 O O . GLU A 1 28 ? 10.808 29.708 31.414 1.00 0.00 ? 28 GLU A O 6 ATOM 3214 C CB . GLU A 1 28 ? 8.634 27.822 29.863 1.00 0.00 ? 28 GLU A CB 6 ATOM 3215 C CG . GLU A 1 28 ? 7.707 28.925 30.463 1.00 0.00 ? 28 GLU A CG 6 ATOM 3216 C CD . GLU A 1 28 ? 6.226 28.511 30.491 1.00 0.00 ? 28 GLU A CD 6 ATOM 3217 O OE1 . GLU A 1 28 ? 5.925 27.459 31.113 1.00 0.00 ? 28 GLU A OE1 6 ATOM 3218 O OE2 . GLU A 1 28 ? 5.384 29.253 29.920 1.00 0.00 ? 28 GLU A OE2 6 ATOM 3219 H H . GLU A 1 28 ? 10.436 26.423 28.697 1.00 0.00 ? 28 GLU A H 6 ATOM 3220 H HA . GLU A 1 28 ? 10.103 29.172 29.105 1.00 0.00 ? 28 GLU A HA 6 ATOM 3221 H HB2 . GLU A 1 28 ? 8.208 27.591 28.860 1.00 0.00 ? 28 GLU A HB2 6 ATOM 3222 H HB3 . GLU A 1 28 ? 8.553 26.894 30.477 1.00 0.00 ? 28 GLU A HB3 6 ATOM 3223 H HG2 . GLU A 1 28 ? 8.005 29.154 31.506 1.00 0.00 ? 28 GLU A HG2 6 ATOM 3224 H HG3 . GLU A 1 28 ? 7.811 29.853 29.863 1.00 0.00 ? 28 GLU A HG3 6 ATOM 3225 N N . GLU A 1 29 ? 11.581 27.592 31.569 1.00 0.00 ? 29 GLU A N 6 ATOM 3226 C CA . GLU A 1 29 ? 12.536 27.840 32.658 1.00 0.00 ? 29 GLU A CA 6 ATOM 3227 C C . GLU A 1 29 ? 13.974 28.125 32.226 1.00 0.00 ? 29 GLU A C 6 ATOM 3228 O O . GLU A 1 29 ? 14.840 28.287 33.079 1.00 0.00 ? 29 GLU A O 6 ATOM 3229 C CB . GLU A 1 29 ? 12.538 26.695 33.717 1.00 0.00 ? 29 GLU A CB 6 ATOM 3230 C CG . GLU A 1 29 ? 11.236 26.534 34.539 1.00 0.00 ? 29 GLU A CG 6 ATOM 3231 C CD . GLU A 1 29 ? 11.432 25.374 35.527 1.00 0.00 ? 29 GLU A CD 6 ATOM 3232 O OE1 . GLU A 1 29 ? 12.138 24.419 35.101 1.00 0.00 ? 29 GLU A OE1 6 ATOM 3233 O OE2 . GLU A 1 29 ? 10.918 25.404 36.681 1.00 0.00 ? 29 GLU A OE2 6 ATOM 3234 H H . GLU A 1 29 ? 11.550 26.652 31.232 1.00 0.00 ? 29 GLU A H 6 ATOM 3235 H HA . GLU A 1 29 ? 12.295 28.774 33.164 1.00 0.00 ? 29 GLU A HA 6 ATOM 3236 H HB2 . GLU A 1 29 ? 12.737 25.734 33.188 1.00 0.00 ? 29 GLU A HB2 6 ATOM 3237 H HB3 . GLU A 1 29 ? 13.351 26.843 34.470 1.00 0.00 ? 29 GLU A HB3 6 ATOM 3238 H HG2 . GLU A 1 29 ? 11.003 27.464 35.100 1.00 0.00 ? 29 GLU A HG2 6 ATOM 3239 H HG3 . GLU A 1 29 ? 10.381 26.290 33.870 1.00 0.00 ? 29 GLU A HG3 6 ATOM 3240 N N . ALA A 1 30 ? 14.272 28.292 30.903 1.00 0.00 ? 30 ALA A N 6 ATOM 3241 C CA . ALA A 1 30 ? 15.555 28.811 30.413 1.00 0.00 ? 30 ALA A CA 6 ATOM 3242 C C . ALA A 1 30 ? 15.455 30.323 30.299 1.00 0.00 ? 30 ALA A C 6 ATOM 3243 O O . ALA A 1 30 ? 16.371 31.077 30.630 1.00 0.00 ? 30 ALA A O 6 ATOM 3244 C CB . ALA A 1 30 ? 15.992 28.210 29.052 1.00 0.00 ? 30 ALA A CB 6 ATOM 3245 H H . ALA A 1 30 ? 13.565 28.138 30.215 1.00 0.00 ? 30 ALA A H 6 ATOM 3246 H HA . ALA A 1 30 ? 16.341 28.596 31.130 1.00 0.00 ? 30 ALA A HA 6 ATOM 3247 H HB1 . ALA A 1 30 ? 15.226 28.343 28.260 1.00 0.00 ? 30 ALA A HB1 6 ATOM 3248 H HB2 . ALA A 1 30 ? 16.949 28.661 28.701 1.00 0.00 ? 30 ALA A HB2 6 ATOM 3249 H HB3 . ALA A 1 30 ? 16.160 27.118 29.180 1.00 0.00 ? 30 ALA A HB3 6 ATOM 3250 N N . ALA A 1 31 ? 14.232 30.811 29.946 1.00 0.00 ? 31 ALA A N 6 ATOM 3251 C CA . ALA A 1 31 ? 13.790 32.201 29.893 1.00 0.00 ? 31 ALA A CA 6 ATOM 3252 C C . ALA A 1 31 ? 13.584 32.850 31.268 1.00 0.00 ? 31 ALA A C 6 ATOM 3253 O O . ALA A 1 31 ? 12.701 33.680 31.483 1.00 0.00 ? 31 ALA A O 6 ATOM 3254 C CB . ALA A 1 31 ? 12.477 32.300 29.069 1.00 0.00 ? 31 ALA A CB 6 ATOM 3255 H H . ALA A 1 31 ? 13.543 30.153 29.654 1.00 0.00 ? 31 ALA A H 6 ATOM 3256 H HA . ALA A 1 31 ? 14.559 32.770 29.385 1.00 0.00 ? 31 ALA A HA 6 ATOM 3257 H HB1 . ALA A 1 31 ? 12.654 31.927 28.037 1.00 0.00 ? 31 ALA A HB1 6 ATOM 3258 H HB2 . ALA A 1 31 ? 11.664 31.685 29.522 1.00 0.00 ? 31 ALA A HB2 6 ATOM 3259 H HB3 . ALA A 1 31 ? 12.116 33.353 28.988 1.00 0.00 ? 31 ALA A HB3 6 ATOM 3260 N N . LYS A 1 32 ? 14.471 32.477 32.221 1.00 0.00 ? 32 LYS A N 6 ATOM 3261 C CA . LYS A 1 32 ? 14.551 32.884 33.598 1.00 0.00 ? 32 LYS A CA 6 ATOM 3262 C C . LYS A 1 32 ? 15.937 33.429 33.882 1.00 0.00 ? 32 LYS A C 6 ATOM 3263 O O . LYS A 1 32 ? 16.050 34.468 34.530 1.00 0.00 ? 32 LYS A O 6 ATOM 3264 C CB . LYS A 1 32 ? 14.232 31.667 34.517 1.00 0.00 ? 32 LYS A CB 6 ATOM 3265 C CG . LYS A 1 32 ? 14.279 31.879 36.041 1.00 0.00 ? 32 LYS A CG 6 ATOM 3266 C CD . LYS A 1 32 ? 13.200 32.824 36.572 1.00 0.00 ? 32 LYS A CD 6 ATOM 3267 C CE . LYS A 1 32 ? 13.758 33.957 37.449 1.00 0.00 ? 32 LYS A CE 6 ATOM 3268 N NZ . LYS A 1 32 ? 12.650 34.838 37.889 1.00 0.00 ? 32 LYS A NZ 6 ATOM 3269 H H . LYS A 1 32 ? 15.112 31.750 31.963 1.00 0.00 ? 32 LYS A H 6 ATOM 3270 H HA . LYS A 1 32 ? 13.857 33.699 33.750 1.00 0.00 ? 32 LYS A HA 6 ATOM 3271 H HB2 . LYS A 1 32 ? 13.210 31.311 34.265 1.00 0.00 ? 32 LYS A HB2 6 ATOM 3272 H HB3 . LYS A 1 32 ? 14.932 30.829 34.293 1.00 0.00 ? 32 LYS A HB3 6 ATOM 3273 H HG2 . LYS A 1 32 ? 14.163 30.883 36.523 1.00 0.00 ? 32 LYS A HG2 6 ATOM 3274 H HG3 . LYS A 1 32 ? 15.293 32.238 36.325 1.00 0.00 ? 32 LYS A HG3 6 ATOM 3275 H HD2 . LYS A 1 32 ? 12.662 33.259 35.704 1.00 0.00 ? 32 LYS A HD2 6 ATOM 3276 H HD3 . LYS A 1 32 ? 12.477 32.201 37.140 1.00 0.00 ? 32 LYS A HD3 6 ATOM 3277 H HE2 . LYS A 1 32 ? 14.264 33.552 38.351 1.00 0.00 ? 32 LYS A HE2 6 ATOM 3278 H HE3 . LYS A 1 32 ? 14.485 34.567 36.866 1.00 0.00 ? 32 LYS A HE3 6 ATOM 3279 H HZ1 . LYS A 1 32 ? 12.046 35.069 37.079 1.00 0.00 ? 32 LYS A HZ1 6 ATOM 3280 H HZ2 . LYS A 1 32 ? 12.083 34.384 38.627 1.00 0.00 ? 32 LYS A HZ2 6 ATOM 3281 H HZ3 . LYS A 1 32 ? 12.972 35.791 38.282 1.00 0.00 ? 32 LYS A HZ3 6 ATOM 3282 N N . GLU A 1 33 ? 17.026 32.752 33.403 1.00 0.00 ? 33 GLU A N 6 ATOM 3283 C CA . GLU A 1 33 ? 18.406 33.253 33.473 1.00 0.00 ? 33 GLU A CA 6 ATOM 3284 C C . GLU A 1 33 ? 18.842 33.849 32.151 1.00 0.00 ? 33 GLU A C 6 ATOM 3285 O O . GLU A 1 33 ? 19.861 34.534 32.074 1.00 0.00 ? 33 GLU A O 6 ATOM 3286 C CB . GLU A 1 33 ? 19.491 32.184 33.850 1.00 0.00 ? 33 GLU A CB 6 ATOM 3287 C CG . GLU A 1 33 ? 19.355 31.550 35.247 1.00 0.00 ? 33 GLU A CG 6 ATOM 3288 C CD . GLU A 1 33 ? 18.291 30.474 35.218 1.00 0.00 ? 33 GLU A CD 6 ATOM 3289 O OE1 . GLU A 1 33 ? 18.496 29.470 34.485 1.00 0.00 ? 33 GLU A OE1 6 ATOM 3290 O OE2 . GLU A 1 33 ? 17.246 30.662 35.885 1.00 0.00 ? 33 GLU A OE2 6 ATOM 3291 H H . GLU A 1 33 ? 16.933 31.817 33.055 1.00 0.00 ? 33 GLU A H 6 ATOM 3292 H HA . GLU A 1 33 ? 18.474 34.047 34.204 1.00 0.00 ? 33 GLU A HA 6 ATOM 3293 H HB2 . GLU A 1 33 ? 19.524 31.363 33.097 1.00 0.00 ? 33 GLU A HB2 6 ATOM 3294 H HB3 . GLU A 1 33 ? 20.499 32.659 33.872 1.00 0.00 ? 33 GLU A HB3 6 ATOM 3295 H HG2 . GLU A 1 33 ? 20.309 31.054 35.528 1.00 0.00 ? 33 GLU A HG2 6 ATOM 3296 H HG3 . GLU A 1 33 ? 19.122 32.324 36.011 1.00 0.00 ? 33 GLU A HG3 6 ATOM 3297 N N . ALA A 1 34 ? 18.119 33.545 31.039 1.00 0.00 ? 34 ALA A N 6 ATOM 3298 C CA . ALA A 1 34 ? 18.477 34.006 29.707 1.00 0.00 ? 34 ALA A CA 6 ATOM 3299 C C . ALA A 1 34 ? 17.852 35.333 29.312 1.00 0.00 ? 34 ALA A C 6 ATOM 3300 O O . ALA A 1 34 ? 18.481 36.135 28.630 1.00 0.00 ? 34 ALA A O 6 ATOM 3301 C CB . ALA A 1 34 ? 18.164 32.937 28.627 1.00 0.00 ? 34 ALA A CB 6 ATOM 3302 H H . ALA A 1 34 ? 17.385 32.863 31.085 1.00 0.00 ? 34 ALA A H 6 ATOM 3303 H HA . ALA A 1 34 ? 19.548 34.169 29.670 1.00 0.00 ? 34 ALA A HA 6 ATOM 3304 H HB1 . ALA A 1 34 ? 18.649 31.978 28.913 1.00 0.00 ? 34 ALA A HB1 6 ATOM 3305 H HB2 . ALA A 1 34 ? 17.073 32.739 28.536 1.00 0.00 ? 34 ALA A HB2 6 ATOM 3306 H HB3 . ALA A 1 34 ? 18.565 33.219 27.628 1.00 0.00 ? 34 ALA A HB3 6 ATOM 3307 N N . VAL A 1 35 ? 16.569 35.584 29.681 1.00 0.00 ? 35 VAL A N 6 ATOM 3308 C CA . VAL A 1 35 ? 15.766 36.676 29.111 1.00 0.00 ? 35 VAL A CA 6 ATOM 3309 C C . VAL A 1 35 ? 15.582 37.765 30.159 1.00 0.00 ? 35 VAL A C 6 ATOM 3310 O O . VAL A 1 35 ? 15.152 38.884 29.887 1.00 0.00 ? 35 VAL A O 6 ATOM 3311 C CB . VAL A 1 35 ? 14.432 36.139 28.562 1.00 0.00 ? 35 VAL A CB 6 ATOM 3312 C CG1 . VAL A 1 35 ? 13.535 37.239 27.944 1.00 0.00 ? 35 VAL A CG1 6 ATOM 3313 C CG2 . VAL A 1 35 ? 14.754 35.078 27.482 1.00 0.00 ? 35 VAL A CG2 6 ATOM 3314 H H . VAL A 1 35 ? 16.088 34.936 30.265 1.00 0.00 ? 35 VAL A H 6 ATOM 3315 H HA . VAL A 1 35 ? 16.282 37.147 28.282 1.00 0.00 ? 35 VAL A HA 6 ATOM 3316 H HB . VAL A 1 35 ? 13.854 35.639 29.370 1.00 0.00 ? 35 VAL A HB 6 ATOM 3317 H HG11 . VAL A 1 35 ? 14.104 37.817 27.187 1.00 0.00 ? 35 VAL A HG11 6 ATOM 3318 H HG12 . VAL A 1 35 ? 12.646 36.789 27.455 1.00 0.00 ? 35 VAL A HG12 6 ATOM 3319 H HG13 . VAL A 1 35 ? 13.157 37.948 28.711 1.00 0.00 ? 35 VAL A HG13 6 ATOM 3320 H HG21 . VAL A 1 35 ? 15.377 35.511 26.671 1.00 0.00 ? 35 VAL A HG21 6 ATOM 3321 H HG22 . VAL A 1 35 ? 15.295 34.209 27.907 1.00 0.00 ? 35 VAL A HG22 6 ATOM 3322 H HG23 . VAL A 1 35 ? 13.817 34.691 27.029 1.00 0.00 ? 35 VAL A HG23 6 ATOM 3323 N N . ASN A 1 36 ? 15.919 37.446 31.419 1.00 0.00 ? 36 ASN A N 6 ATOM 3324 C CA . ASN A 1 36 ? 15.856 38.345 32.535 1.00 0.00 ? 36 ASN A CA 6 ATOM 3325 C C . ASN A 1 36 ? 16.780 37.611 33.451 1.00 0.00 ? 36 ASN A C 6 ATOM 3326 O O . ASN A 1 36 ? 17.475 36.717 32.970 1.00 0.00 ? 36 ASN A O 6 ATOM 3327 C CB . ASN A 1 36 ? 14.426 38.642 33.114 1.00 0.00 ? 36 ASN A CB 6 ATOM 3328 C CG . ASN A 1 36 ? 13.653 37.414 33.595 1.00 0.00 ? 36 ASN A CG 6 ATOM 3329 O OD1 . ASN A 1 36 ? 13.549 37.263 34.811 1.00 0.00 ? 36 ASN A OD1 6 ATOM 3330 N ND2 . ASN A 1 36 ? 13.120 36.564 32.688 1.00 0.00 ? 36 ASN A ND2 6 ATOM 3331 H H . ASN A 1 36 ? 16.453 36.625 31.655 1.00 0.00 ? 36 ASN A H 6 ATOM 3332 H HA . ASN A 1 36 ? 16.340 39.278 32.285 1.00 0.00 ? 36 ASN A HA 6 ATOM 3333 H HB2 . ASN A 1 36 ? 14.495 39.349 33.969 1.00 0.00 ? 36 ASN A HB2 6 ATOM 3334 H HB3 . ASN A 1 36 ? 13.828 39.148 32.326 1.00 0.00 ? 36 ASN A HB3 6 ATOM 3335 H HD21 . ASN A 1 36 ? 13.144 36.772 31.710 1.00 0.00 ? 36 ASN A HD21 6 ATOM 3336 H HD22 . ASN A 1 36 ? 12.864 35.651 32.997 1.00 0.00 ? 36 ASN A HD22 6 ATOM 3337 N N . LEU A 1 37 ? 16.771 37.967 34.750 1.00 0.00 ? 37 LEU A N 6 ATOM 3338 C CA . LEU A 1 37 ? 17.413 37.261 35.833 1.00 0.00 ? 37 LEU A CA 6 ATOM 3339 C C . LEU A 1 37 ? 16.887 37.994 37.033 1.00 0.00 ? 37 LEU A C 6 ATOM 3340 O O . LEU A 1 37 ? 17.632 38.567 37.827 1.00 0.00 ? 37 LEU A O 6 ATOM 3341 C CB . LEU A 1 37 ? 18.977 37.135 35.795 1.00 0.00 ? 37 LEU A CB 6 ATOM 3342 C CG . LEU A 1 37 ? 19.807 38.210 35.035 1.00 0.00 ? 37 LEU A CG 6 ATOM 3343 C CD1 . LEU A 1 37 ? 19.805 39.612 35.685 1.00 0.00 ? 37 LEU A CD1 6 ATOM 3344 C CD2 . LEU A 1 37 ? 21.224 37.682 34.780 1.00 0.00 ? 37 LEU A CD2 6 ATOM 3345 H H . LEU A 1 37 ? 16.206 38.726 35.059 1.00 0.00 ? 37 LEU A H 6 ATOM 3346 H HA . LEU A 1 37 ? 17.006 36.259 35.877 1.00 0.00 ? 37 LEU A HA 6 ATOM 3347 H HB2 . LEU A 1 37 ? 19.404 36.962 36.811 1.00 0.00 ? 37 LEU A HB2 6 ATOM 3348 H HB3 . LEU A 1 37 ? 19.158 36.198 35.225 1.00 0.00 ? 37 LEU A HB3 6 ATOM 3349 H HG . LEU A 1 37 ? 19.378 38.322 34.019 1.00 0.00 ? 37 LEU A HG 6 ATOM 3350 H HD11 . LEU A 1 37 ? 20.215 39.574 36.720 1.00 0.00 ? 37 LEU A HD11 6 ATOM 3351 H HD12 . LEU A 1 37 ? 20.405 40.326 35.079 1.00 0.00 ? 37 LEU A HD12 6 ATOM 3352 H HD13 . LEU A 1 37 ? 18.766 40.009 35.742 1.00 0.00 ? 37 LEU A HD13 6 ATOM 3353 H HD21 . LEU A 1 37 ? 21.174 36.742 34.184 1.00 0.00 ? 37 LEU A HD21 6 ATOM 3354 H HD22 . LEU A 1 37 ? 21.816 38.424 34.203 1.00 0.00 ? 37 LEU A HD22 6 ATOM 3355 H HD23 . LEU A 1 37 ? 21.751 37.478 35.736 1.00 0.00 ? 37 LEU A HD23 6 ATOM 3356 N N . LYS A 1 38 ? 15.539 38.051 37.141 1.00 0.00 ? 38 LYS A N 6 ATOM 3357 C CA . LYS A 1 38 ? 14.825 38.686 38.229 1.00 0.00 ? 38 LYS A CA 6 ATOM 3358 C C . LYS A 1 38 ? 14.092 37.568 39.000 1.00 0.00 ? 38 LYS A C 6 ATOM 3359 O O . LYS A 1 38 ? 14.727 36.948 39.898 1.00 0.00 ? 38 LYS A O 6 ATOM 3360 C CB . LYS A 1 38 ? 13.778 39.717 37.742 1.00 0.00 ? 38 LYS A CB 6 ATOM 3361 C CG . LYS A 1 38 ? 14.363 40.896 36.956 1.00 0.00 ? 38 LYS A CG 6 ATOM 3362 C CD . LYS A 1 38 ? 13.308 41.978 36.679 1.00 0.00 ? 38 LYS A CD 6 ATOM 3363 C CE . LYS A 1 38 ? 13.811 43.158 35.840 1.00 0.00 ? 38 LYS A CE 6 ATOM 3364 N NZ . LYS A 1 38 ? 15.008 43.756 36.475 1.00 0.00 ? 38 LYS A NZ 6 ATOM 3365 O OXT . LYS A 1 38 ? 12.930 37.252 38.642 1.00 0.00 ? 38 LYS A OXT 6 ATOM 3366 H H . LYS A 1 38 ? 14.961 37.569 36.476 1.00 0.00 ? 38 LYS A H 6 ATOM 3367 H HA . LYS A 1 38 ? 15.505 39.184 38.916 1.00 0.00 ? 38 LYS A HA 6 ATOM 3368 H HB2 . LYS A 1 38 ? 13.012 39.210 37.114 1.00 0.00 ? 38 LYS A HB2 6 ATOM 3369 H HB3 . LYS A 1 38 ? 13.269 40.120 38.644 1.00 0.00 ? 38 LYS A HB3 6 ATOM 3370 H HG2 . LYS A 1 38 ? 15.204 41.298 37.561 1.00 0.00 ? 38 LYS A HG2 6 ATOM 3371 H HG3 . LYS A 1 38 ? 14.776 40.524 35.995 1.00 0.00 ? 38 LYS A HG3 6 ATOM 3372 H HD2 . LYS A 1 38 ? 12.458 41.516 36.128 1.00 0.00 ? 38 LYS A HD2 6 ATOM 3373 H HD3 . LYS A 1 38 ? 12.904 42.343 37.651 1.00 0.00 ? 38 LYS A HD3 6 ATOM 3374 H HE2 . LYS A 1 38 ? 14.098 42.830 34.818 1.00 0.00 ? 38 LYS A HE2 6 ATOM 3375 H HE3 . LYS A 1 38 ? 13.026 43.945 35.766 1.00 0.00 ? 38 LYS A HE3 6 ATOM 3376 H HZ1 . LYS A 1 38 ? 14.824 43.896 37.491 1.00 0.00 ? 38 LYS A HZ1 6 ATOM 3377 H HZ2 . LYS A 1 38 ? 15.785 43.072 36.353 1.00 0.00 ? 38 LYS A HZ2 6 ATOM 3378 H HZ3 . LYS A 1 38 ? 15.250 44.670 36.035 1.00 0.00 ? 38 LYS A HZ3 6 ATOM 3379 N N . GLU A 1 1 ? 10.539 33.049 8.802 1.00 0.00 ? 1 GLU A N 7 ATOM 3380 C CA . GLU A 1 1 ? 11.071 32.662 7.473 1.00 0.00 ? 1 GLU A CA 7 ATOM 3381 C C . GLU A 1 1 ? 10.208 31.477 7.206 1.00 0.00 ? 1 GLU A C 7 ATOM 3382 O O . GLU A 1 1 ? 10.193 30.582 8.052 1.00 0.00 ? 1 GLU A O 7 ATOM 3383 C CB . GLU A 1 1 ? 12.582 32.225 7.588 1.00 0.00 ? 1 GLU A CB 7 ATOM 3384 C CG . GLU A 1 1 ? 13.624 33.355 7.815 1.00 0.00 ? 1 GLU A CG 7 ATOM 3385 C CD . GLU A 1 1 ? 13.066 34.392 8.772 1.00 0.00 ? 1 GLU A CD 7 ATOM 3386 O OE1 . GLU A 1 1 ? 12.656 33.992 9.895 1.00 0.00 ? 1 GLU A OE1 7 ATOM 3387 O OE2 . GLU A 1 1 ? 12.834 35.537 8.325 1.00 0.00 ? 1 GLU A OE2 7 ATOM 3388 H H1 . GLU A 1 1 ? 10.234 32.172 9.279 1.00 0.00 ? 1 GLU A H1 7 ATOM 3389 H H2 . GLU A 1 1 ? 11.322 33.499 9.351 1.00 0.00 ? 1 GLU A H2 7 ATOM 3390 H H3 . GLU A 1 1 ? 9.741 33.708 8.719 1.00 0.00 ? 1 GLU A H3 7 ATOM 3391 H HA . GLU A 1 1 ? 10.917 33.469 6.767 1.00 0.00 ? 1 GLU A HA 7 ATOM 3392 H HB2 . GLU A 1 1 ? 12.712 31.507 8.430 1.00 0.00 ? 1 GLU A HB2 7 ATOM 3393 H HB3 . GLU A 1 1 ? 12.914 31.694 6.665 1.00 0.00 ? 1 GLU A HB3 7 ATOM 3394 H HG2 . GLU A 1 1 ? 14.562 32.934 8.240 1.00 0.00 ? 1 GLU A HG2 7 ATOM 3395 H HG3 . GLU A 1 1 ? 13.872 33.860 6.855 1.00 0.00 ? 1 GLU A HG3 7 ATOM 3396 N N . ALA A 1 2 ? 9.430 31.447 6.085 1.00 0.00 ? 2 ALA A N 7 ATOM 3397 C CA . ALA A 1 2 ? 8.636 30.304 5.635 1.00 0.00 ? 2 ALA A CA 7 ATOM 3398 C C . ALA A 1 2 ? 7.376 30.052 6.451 1.00 0.00 ? 2 ALA A C 7 ATOM 3399 O O . ALA A 1 2 ? 7.065 28.915 6.797 1.00 0.00 ? 2 ALA A O 7 ATOM 3400 C CB . ALA A 1 2 ? 9.443 28.979 5.492 1.00 0.00 ? 2 ALA A CB 7 ATOM 3401 H H . ALA A 1 2 ? 9.416 32.216 5.450 1.00 0.00 ? 2 ALA A H 7 ATOM 3402 H HA . ALA A 1 2 ? 8.300 30.561 4.642 1.00 0.00 ? 2 ALA A HA 7 ATOM 3403 H HB1 . ALA A 1 2 ? 10.341 29.146 4.859 1.00 0.00 ? 2 ALA A HB1 7 ATOM 3404 H HB2 . ALA A 1 2 ? 9.798 28.612 6.483 1.00 0.00 ? 2 ALA A HB2 7 ATOM 3405 H HB3 . ALA A 1 2 ? 8.841 28.166 5.024 1.00 0.00 ? 2 ALA A HB3 7 ATOM 3406 N N . TYR A 1 3 ? 6.603 31.132 6.780 1.00 0.00 ? 3 TYR A N 7 ATOM 3407 C CA . TYR A 1 3 ? 5.399 31.068 7.604 1.00 0.00 ? 3 TYR A CA 7 ATOM 3408 C C . TYR A 1 3 ? 4.234 30.747 6.691 1.00 0.00 ? 3 TYR A C 7 ATOM 3409 O O . TYR A 1 3 ? 3.940 31.457 5.734 1.00 0.00 ? 3 TYR A O 7 ATOM 3410 C CB . TYR A 1 3 ? 5.111 32.341 8.479 1.00 0.00 ? 3 TYR A CB 7 ATOM 3411 C CG . TYR A 1 3 ? 3.999 32.067 9.485 1.00 0.00 ? 3 TYR A CG 7 ATOM 3412 C CD1 . TYR A 1 3 ? 4.135 31.037 10.438 1.00 0.00 ? 3 TYR A CD1 7 ATOM 3413 C CD2 . TYR A 1 3 ? 2.758 32.727 9.384 1.00 0.00 ? 3 TYR A CD2 7 ATOM 3414 C CE1 . TYR A 1 3 ? 3.044 30.629 11.221 1.00 0.00 ? 3 TYR A CE1 7 ATOM 3415 C CE2 . TYR A 1 3 ? 1.668 32.329 10.174 1.00 0.00 ? 3 TYR A CE2 7 ATOM 3416 C CZ . TYR A 1 3 ? 1.802 31.260 11.074 1.00 0.00 ? 3 TYR A CZ 7 ATOM 3417 O OH . TYR A 1 3 ? 0.687 30.793 11.808 1.00 0.00 ? 3 TYR A OH 7 ATOM 3418 H H . TYR A 1 3 ? 6.824 32.038 6.433 1.00 0.00 ? 3 TYR A H 7 ATOM 3419 H HA . TYR A 1 3 ? 5.520 30.239 8.290 1.00 0.00 ? 3 TYR A HA 7 ATOM 3420 H HB2 . TYR A 1 3 ? 6.018 32.605 9.067 1.00 0.00 ? 3 TYR A HB2 7 ATOM 3421 H HB3 . TYR A 1 3 ? 4.831 33.221 7.855 1.00 0.00 ? 3 TYR A HB3 7 ATOM 3422 H HD1 . TYR A 1 3 ? 5.070 30.509 10.536 1.00 0.00 ? 3 TYR A HD1 7 ATOM 3423 H HD2 . TYR A 1 3 ? 2.624 33.511 8.653 1.00 0.00 ? 3 TYR A HD2 7 ATOM 3424 H HE1 . TYR A 1 3 ? 3.164 29.814 11.919 1.00 0.00 ? 3 TYR A HE1 7 ATOM 3425 H HE2 . TYR A 1 3 ? 0.724 32.837 10.047 1.00 0.00 ? 3 TYR A HE2 7 ATOM 3426 H HH . TYR A 1 3 ? 0.001 31.463 11.746 1.00 0.00 ? 3 TYR A HH 7 ATOM 3427 N N . LYS A 1 4 ? 3.617 29.596 6.980 1.00 0.00 ? 4 LYS A N 7 ATOM 3428 C CA . LYS A 1 4 ? 2.803 28.844 6.087 1.00 0.00 ? 4 LYS A CA 7 ATOM 3429 C C . LYS A 1 4 ? 2.376 27.804 7.079 1.00 0.00 ? 4 LYS A C 7 ATOM 3430 O O . LYS A 1 4 ? 2.694 27.906 8.266 1.00 0.00 ? 4 LYS A O 7 ATOM 3431 C CB . LYS A 1 4 ? 3.626 28.211 4.902 1.00 0.00 ? 4 LYS A CB 7 ATOM 3432 C CG . LYS A 1 4 ? 3.030 28.427 3.505 1.00 0.00 ? 4 LYS A CG 7 ATOM 3433 C CD . LYS A 1 4 ? 1.788 27.583 3.211 1.00 0.00 ? 4 LYS A CD 7 ATOM 3434 C CE . LYS A 1 4 ? 1.423 27.571 1.718 1.00 0.00 ? 4 LYS A CE 7 ATOM 3435 N NZ . LYS A 1 4 ? 0.304 26.627 1.463 1.00 0.00 ? 4 LYS A NZ 7 ATOM 3436 H H . LYS A 1 4 ? 3.719 29.112 7.860 1.00 0.00 ? 4 LYS A H 7 ATOM 3437 H HA . LYS A 1 4 ? 1.963 29.444 5.768 1.00 0.00 ? 4 LYS A HA 7 ATOM 3438 H HB2 . LYS A 1 4 ? 4.614 28.719 4.854 1.00 0.00 ? 4 LYS A HB2 7 ATOM 3439 H HB3 . LYS A 1 4 ? 3.869 27.130 5.029 1.00 0.00 ? 4 LYS A HB3 7 ATOM 3440 H HG2 . LYS A 1 4 ? 2.811 29.510 3.361 1.00 0.00 ? 4 LYS A HG2 7 ATOM 3441 H HG3 . LYS A 1 4 ? 3.821 28.146 2.773 1.00 0.00 ? 4 LYS A HG3 7 ATOM 3442 H HD2 . LYS A 1 4 ? 2.021 26.544 3.533 1.00 0.00 ? 4 LYS A HD2 7 ATOM 3443 H HD3 . LYS A 1 4 ? 0.937 27.965 3.819 1.00 0.00 ? 4 LYS A HD3 7 ATOM 3444 H HE2 . LYS A 1 4 ? 1.120 28.585 1.372 1.00 0.00 ? 4 LYS A HE2 7 ATOM 3445 H HE3 . LYS A 1 4 ? 2.296 27.232 1.115 1.00 0.00 ? 4 LYS A HE3 7 ATOM 3446 H HZ1 . LYS A 1 4 ? 0.548 25.689 1.845 1.00 0.00 ? 4 LYS A HZ1 7 ATOM 3447 H HZ2 . LYS A 1 4 ? -0.555 26.977 1.933 1.00 0.00 ? 4 LYS A HZ2 7 ATOM 3448 H HZ3 . LYS A 1 4 ? 0.131 26.549 0.438 1.00 0.00 ? 4 LYS A HZ3 7 ATOM 3449 N N . LYS A 1 5 ? 1.699 26.740 6.622 1.00 0.00 ? 5 LYS A N 7 ATOM 3450 C CA . LYS A 1 5 ? 1.439 25.571 7.400 1.00 0.00 ? 5 LYS A CA 7 ATOM 3451 C C . LYS A 1 5 ? 1.763 24.461 6.445 1.00 0.00 ? 5 LYS A C 7 ATOM 3452 O O . LYS A 1 5 ? 0.900 23.984 5.720 1.00 0.00 ? 5 LYS A O 7 ATOM 3453 C CB . LYS A 1 5 ? -0.028 25.569 7.862 1.00 0.00 ? 5 LYS A CB 7 ATOM 3454 C CG . LYS A 1 5 ? -0.320 24.610 9.013 1.00 0.00 ? 5 LYS A CG 7 ATOM 3455 C CD . LYS A 1 5 ? -1.709 24.844 9.597 1.00 0.00 ? 5 LYS A CD 7 ATOM 3456 C CE . LYS A 1 5 ? -1.766 25.818 10.793 1.00 0.00 ? 5 LYS A CE 7 ATOM 3457 N NZ . LYS A 1 5 ? -1.463 27.231 10.419 1.00 0.00 ? 5 LYS A NZ 7 ATOM 3458 H H . LYS A 1 5 ? 1.355 26.664 5.694 1.00 0.00 ? 5 LYS A H 7 ATOM 3459 H HA . LYS A 1 5 ? 2.099 25.502 8.257 1.00 0.00 ? 5 LYS A HA 7 ATOM 3460 H HB2 . LYS A 1 5 ? -0.220 26.599 8.218 1.00 0.00 ? 5 LYS A HB2 7 ATOM 3461 H HB3 . LYS A 1 5 ? -0.743 25.390 7.025 1.00 0.00 ? 5 LYS A HB3 7 ATOM 3462 H HG2 . LYS A 1 5 ? -0.283 23.582 8.589 1.00 0.00 ? 5 LYS A HG2 7 ATOM 3463 H HG3 . LYS A 1 5 ? 0.451 24.664 9.812 1.00 0.00 ? 5 LYS A HG3 7 ATOM 3464 H HD2 . LYS A 1 5 ? -2.390 25.150 8.771 1.00 0.00 ? 5 LYS A HD2 7 ATOM 3465 H HD3 . LYS A 1 5 ? -2.049 23.853 9.963 1.00 0.00 ? 5 LYS A HD3 7 ATOM 3466 H HE2 . LYS A 1 5 ? -2.790 25.806 11.226 1.00 0.00 ? 5 LYS A HE2 7 ATOM 3467 H HE3 . LYS A 1 5 ? -1.042 25.511 11.580 1.00 0.00 ? 5 LYS A HE3 7 ATOM 3468 H HZ1 . LYS A 1 5 ? -2.148 27.563 9.709 1.00 0.00 ? 5 LYS A HZ1 7 ATOM 3469 H HZ2 . LYS A 1 5 ? -1.552 27.826 11.267 1.00 0.00 ? 5 LYS A HZ2 7 ATOM 3470 H HZ3 . LYS A 1 5 ? -0.502 27.337 10.035 1.00 0.00 ? 5 LYS A HZ3 7 ATOM 3471 N N . ALA A 1 6 ? 3.075 24.100 6.384 1.00 0.00 ? 6 ALA A N 7 ATOM 3472 C CA . ALA A 1 6 ? 3.644 23.030 5.573 1.00 0.00 ? 6 ALA A CA 7 ATOM 3473 C C . ALA A 1 6 ? 3.686 21.713 6.326 1.00 0.00 ? 6 ALA A C 7 ATOM 3474 O O . ALA A 1 6 ? 4.075 20.680 5.790 1.00 0.00 ? 6 ALA A O 7 ATOM 3475 C CB . ALA A 1 6 ? 5.064 23.397 5.078 1.00 0.00 ? 6 ALA A CB 7 ATOM 3476 H H . ALA A 1 6 ? 3.757 24.587 6.929 1.00 0.00 ? 6 ALA A H 7 ATOM 3477 H HA . ALA A 1 6 ? 3.020 22.878 4.698 1.00 0.00 ? 6 ALA A HA 7 ATOM 3478 H HB1 . ALA A 1 6 ? 5.031 24.364 4.531 1.00 0.00 ? 6 ALA A HB1 7 ATOM 3479 H HB2 . ALA A 1 6 ? 5.793 23.499 5.913 1.00 0.00 ? 6 ALA A HB2 7 ATOM 3480 H HB3 . ALA A 1 6 ? 5.460 22.626 4.378 1.00 0.00 ? 6 ALA A HB3 7 ATOM 3481 N N . LYS A 1 7 ? 3.287 21.767 7.619 1.00 0.00 ? 7 LYS A N 7 ATOM 3482 C CA . LYS A 1 7 ? 3.094 20.683 8.555 1.00 0.00 ? 7 LYS A CA 7 ATOM 3483 C C . LYS A 1 7 ? 1.608 20.431 8.599 1.00 0.00 ? 7 LYS A C 7 ATOM 3484 O O . LYS A 1 7 ? 0.869 21.349 8.234 1.00 0.00 ? 7 LYS A O 7 ATOM 3485 C CB . LYS A 1 7 ? 3.589 21.114 9.960 1.00 0.00 ? 7 LYS A CB 7 ATOM 3486 C CG . LYS A 1 7 ? 3.186 22.551 10.407 1.00 0.00 ? 7 LYS A CG 7 ATOM 3487 C CD . LYS A 1 7 ? 2.776 22.634 11.886 1.00 0.00 ? 7 LYS A CD 7 ATOM 3488 C CE . LYS A 1 7 ? 3.871 22.137 12.843 1.00 0.00 ? 7 LYS A CE 7 ATOM 3489 N NZ . LYS A 1 7 ? 3.350 21.837 14.196 1.00 0.00 ? 7 LYS A NZ 7 ATOM 3490 H H . LYS A 1 7 ? 2.928 22.633 7.943 1.00 0.00 ? 7 LYS A H 7 ATOM 3491 H HA . LYS A 1 7 ? 3.596 19.785 8.216 1.00 0.00 ? 7 LYS A HA 7 ATOM 3492 H HB2 . LYS A 1 7 ? 3.279 20.353 10.714 1.00 0.00 ? 7 LYS A HB2 7 ATOM 3493 H HB3 . LYS A 1 7 ? 4.700 21.085 9.941 1.00 0.00 ? 7 LYS A HB3 7 ATOM 3494 H HG2 . LYS A 1 7 ? 4.028 23.253 10.209 1.00 0.00 ? 7 LYS A HG2 7 ATOM 3495 H HG3 . LYS A 1 7 ? 2.302 22.913 9.836 1.00 0.00 ? 7 LYS A HG3 7 ATOM 3496 H HD2 . LYS A 1 7 ? 2.484 23.677 12.142 1.00 0.00 ? 7 LYS A HD2 7 ATOM 3497 H HD3 . LYS A 1 7 ? 1.877 21.983 11.990 1.00 0.00 ? 7 LYS A HD3 7 ATOM 3498 H HE2 . LYS A 1 7 ? 4.289 21.182 12.471 1.00 0.00 ? 7 LYS A HE2 7 ATOM 3499 H HE3 . LYS A 1 7 ? 4.695 22.880 12.935 1.00 0.00 ? 7 LYS A HE3 7 ATOM 3500 H HZ1 . LYS A 1 7 ? 2.344 21.576 14.210 1.00 0.00 ? 7 LYS A HZ1 7 ATOM 3501 H HZ2 . LYS A 1 7 ? 3.921 21.098 14.653 1.00 0.00 ? 7 LYS A HZ2 7 ATOM 3502 H HZ3 . LYS A 1 7 ? 3.528 22.719 14.794 1.00 0.00 ? 7 LYS A HZ3 7 ATOM 3503 N N . GLN A 1 8 ? 1.165 19.219 9.066 1.00 0.00 ? 8 GLN A N 7 ATOM 3504 C CA . GLN A 1 8 ? -0.212 18.727 9.071 1.00 0.00 ? 8 GLN A CA 7 ATOM 3505 C C . GLN A 1 8 ? -0.468 17.893 7.846 1.00 0.00 ? 8 GLN A C 7 ATOM 3506 O O . GLN A 1 8 ? -1.442 18.053 7.108 1.00 0.00 ? 8 GLN A O 7 ATOM 3507 C CB . GLN A 1 8 ? -1.260 19.769 9.421 1.00 0.00 ? 8 GLN A CB 7 ATOM 3508 C CG . GLN A 1 8 ? -2.564 19.277 10.065 1.00 0.00 ? 8 GLN A CG 7 ATOM 3509 C CD . GLN A 1 8 ? -3.154 20.483 10.793 1.00 0.00 ? 8 GLN A CD 7 ATOM 3510 O OE1 . GLN A 1 8 ? -2.684 20.900 11.850 1.00 0.00 ? 8 GLN A OE1 7 ATOM 3511 N NE2 . GLN A 1 8 ? -4.171 21.140 10.193 1.00 0.00 ? 8 GLN A NE2 7 ATOM 3512 H H . GLN A 1 8 ? 1.769 18.581 9.544 1.00 0.00 ? 8 GLN A H 7 ATOM 3513 H HA . GLN A 1 8 ? -0.286 18.059 9.895 1.00 0.00 ? 8 GLN A HA 7 ATOM 3514 H HB2 . GLN A 1 8 ? -0.716 20.350 10.192 1.00 0.00 ? 8 GLN A HB2 7 ATOM 3515 H HB3 . GLN A 1 8 ? -1.412 20.391 8.521 1.00 0.00 ? 8 GLN A HB3 7 ATOM 3516 H HG2 . GLN A 1 8 ? -3.243 18.861 9.291 1.00 0.00 ? 8 GLN A HG2 7 ATOM 3517 H HG3 . GLN A 1 8 ? -2.347 18.482 10.812 1.00 0.00 ? 8 GLN A HG3 7 ATOM 3518 H HE21 . GLN A 1 8 ? -4.567 20.787 9.346 1.00 0.00 ? 8 GLN A HE21 7 ATOM 3519 H HE22 . GLN A 1 8 ? -4.531 21.957 10.631 1.00 0.00 ? 8 GLN A HE22 7 ATOM 3520 N N . ALA A 1 9 ? 0.528 17.009 7.614 1.00 0.00 ? 9 ALA A N 7 ATOM 3521 C CA . ALA A 1 9 ? 0.691 16.167 6.441 1.00 0.00 ? 9 ALA A CA 7 ATOM 3522 C C . ALA A 1 9 ? 0.265 14.738 6.651 1.00 0.00 ? 9 ALA A C 7 ATOM 3523 O O . ALA A 1 9 ? -0.345 14.143 5.768 1.00 0.00 ? 9 ALA A O 7 ATOM 3524 C CB . ALA A 1 9 ? 2.131 16.170 5.868 1.00 0.00 ? 9 ALA A CB 7 ATOM 3525 H H . ALA A 1 9 ? 1.186 16.935 8.361 1.00 0.00 ? 9 ALA A H 7 ATOM 3526 H HA . ALA A 1 9 ? 0.061 16.560 5.651 1.00 0.00 ? 9 ALA A HA 7 ATOM 3527 H HB1 . ALA A 1 9 ? 2.485 17.217 5.766 1.00 0.00 ? 9 ALA A HB1 7 ATOM 3528 H HB2 . ALA A 1 9 ? 2.854 15.622 6.506 1.00 0.00 ? 9 ALA A HB2 7 ATOM 3529 H HB3 . ALA A 1 9 ? 2.167 15.705 4.857 1.00 0.00 ? 9 ALA A HB3 7 ATOM 3530 N N . SER A 1 10 ? 0.647 14.096 7.774 1.00 0.00 ? 10 SER A N 7 ATOM 3531 C CA . SER A 1 10 ? 0.453 12.687 8.034 1.00 0.00 ? 10 SER A CA 7 ATOM 3532 C C . SER A 1 10 ? 1.198 12.555 9.319 1.00 0.00 ? 10 SER A C 7 ATOM 3533 O O . SER A 1 10 ? 1.798 13.534 9.773 1.00 0.00 ? 10 SER A O 7 ATOM 3534 C CB . SER A 1 10 ? 1.089 11.689 6.993 1.00 0.00 ? 10 SER A CB 7 ATOM 3535 O OG . SER A 1 10 ? 0.339 11.676 5.785 1.00 0.00 ? 10 SER A OG 7 ATOM 3536 H H . SER A 1 10 ? 1.112 14.542 8.551 1.00 0.00 ? 10 SER A H 7 ATOM 3537 H HA . SER A 1 10 ? -0.592 12.493 8.218 1.00 0.00 ? 10 SER A HA 7 ATOM 3538 H HB2 . SER A 1 10 ? 2.138 11.987 6.758 1.00 0.00 ? 10 SER A HB2 7 ATOM 3539 H HB3 . SER A 1 10 ? 1.116 10.637 7.355 1.00 0.00 ? 10 SER A HB3 7 ATOM 3540 H HG . SER A 1 10 ? 0.030 12.607 5.690 1.00 0.00 ? 10 SER A HG 7 ATOM 3541 N N . GLN A 1 11 ? 1.273 11.304 9.867 1.00 0.00 ? 11 GLN A N 7 ATOM 3542 C CA . GLN A 1 11 ? 1.995 10.838 11.048 1.00 0.00 ? 11 GLN A CA 7 ATOM 3543 C C . GLN A 1 11 ? 3.460 11.221 11.091 1.00 0.00 ? 11 GLN A C 7 ATOM 3544 O O . GLN A 1 11 ? 3.993 11.537 12.144 1.00 0.00 ? 11 GLN A O 7 ATOM 3545 C CB . GLN A 1 11 ? 1.832 9.296 11.234 1.00 0.00 ? 11 GLN A CB 7 ATOM 3546 C CG . GLN A 1 11 ? 2.028 8.425 9.962 1.00 0.00 ? 11 GLN A CG 7 ATOM 3547 C CD . GLN A 1 11 ? 3.296 7.578 10.045 1.00 0.00 ? 11 GLN A CD 7 ATOM 3548 O OE1 . GLN A 1 11 ? 3.340 6.654 10.853 1.00 0.00 ? 11 GLN A OE1 7 ATOM 3549 N NE2 . GLN A 1 11 ? 4.305 7.828 9.179 1.00 0.00 ? 11 GLN A NE2 7 ATOM 3550 H H . GLN A 1 11 ? 0.777 10.559 9.429 1.00 0.00 ? 11 GLN A H 7 ATOM 3551 H HA . GLN A 1 11 ? 1.534 11.320 11.899 1.00 0.00 ? 11 GLN A HA 7 ATOM 3552 H HB2 . GLN A 1 11 ? 2.423 8.899 12.095 1.00 0.00 ? 11 GLN A HB2 7 ATOM 3553 H HB3 . GLN A 1 11 ? 0.767 9.143 11.516 1.00 0.00 ? 11 GLN A HB3 7 ATOM 3554 H HG2 . GLN A 1 11 ? 1.190 7.698 9.916 1.00 0.00 ? 11 GLN A HG2 7 ATOM 3555 H HG3 . GLN A 1 11 ? 2.021 9.000 9.012 1.00 0.00 ? 11 GLN A HG3 7 ATOM 3556 H HE21 . GLN A 1 11 ? 4.253 8.603 8.508 1.00 0.00 ? 11 GLN A HE21 7 ATOM 3557 H HE22 . GLN A 1 11 ? 5.154 7.309 9.238 1.00 0.00 ? 11 GLN A HE22 7 ATOM 3558 N N . ASP A 1 12 ? 4.100 11.323 9.904 1.00 0.00 ? 12 ASP A N 7 ATOM 3559 C CA . ASP A 1 12 ? 5.432 11.825 9.597 1.00 0.00 ? 12 ASP A CA 7 ATOM 3560 C C . ASP A 1 12 ? 5.686 13.260 9.995 1.00 0.00 ? 12 ASP A C 7 ATOM 3561 O O . ASP A 1 12 ? 6.720 13.621 10.553 1.00 0.00 ? 12 ASP A O 7 ATOM 3562 C CB . ASP A 1 12 ? 5.605 11.820 8.046 1.00 0.00 ? 12 ASP A CB 7 ATOM 3563 C CG . ASP A 1 12 ? 5.392 10.409 7.547 1.00 0.00 ? 12 ASP A CG 7 ATOM 3564 O OD1 . ASP A 1 12 ? 4.209 9.958 7.574 1.00 0.00 ? 12 ASP A OD1 7 ATOM 3565 O OD2 . ASP A 1 12 ? 6.380 9.737 7.177 1.00 0.00 ? 12 ASP A OD2 7 ATOM 3566 H H . ASP A 1 12 ? 3.688 10.926 9.070 1.00 0.00 ? 12 ASP A H 7 ATOM 3567 H HA . ASP A 1 12 ? 6.149 11.196 10.112 1.00 0.00 ? 12 ASP A HA 7 ATOM 3568 H HB2 . ASP A 1 12 ? 4.831 12.461 7.549 1.00 0.00 ? 12 ASP A HB2 7 ATOM 3569 H HB3 . ASP A 1 12 ? 6.602 12.180 7.711 1.00 0.00 ? 12 ASP A HB3 7 ATOM 3570 N N . ALA A 1 13 ? 4.682 14.126 9.719 1.00 0.00 ? 13 ALA A N 7 ATOM 3571 C CA . ALA A 1 13 ? 4.757 15.564 9.884 1.00 0.00 ? 13 ALA A CA 7 ATOM 3572 C C . ALA A 1 13 ? 4.215 15.910 11.229 1.00 0.00 ? 13 ALA A C 7 ATOM 3573 O O . ALA A 1 13 ? 4.643 16.891 11.831 1.00 0.00 ? 13 ALA A O 7 ATOM 3574 C CB . ALA A 1 13 ? 3.974 16.343 8.810 1.00 0.00 ? 13 ALA A CB 7 ATOM 3575 H H . ALA A 1 13 ? 3.800 13.771 9.396 1.00 0.00 ? 13 ALA A H 7 ATOM 3576 H HA . ALA A 1 13 ? 5.788 15.895 9.849 1.00 0.00 ? 13 ALA A HA 7 ATOM 3577 H HB1 . ALA A 1 13 ? 2.911 16.019 8.773 1.00 0.00 ? 13 ALA A HB1 7 ATOM 3578 H HB2 . ALA A 1 13 ? 4.012 17.444 8.962 1.00 0.00 ? 13 ALA A HB2 7 ATOM 3579 H HB3 . ALA A 1 13 ? 4.432 16.137 7.818 1.00 0.00 ? 13 ALA A HB3 7 ATOM 3580 N N . GLU A 1 14 ? 3.309 15.045 11.771 1.00 0.00 ? 14 GLU A N 7 ATOM 3581 C CA . GLU A 1 14 ? 2.690 15.207 13.079 1.00 0.00 ? 14 GLU A CA 7 ATOM 3582 C C . GLU A 1 14 ? 3.601 14.715 14.180 1.00 0.00 ? 14 GLU A C 7 ATOM 3583 O O . GLU A 1 14 ? 3.517 15.196 15.306 1.00 0.00 ? 14 GLU A O 7 ATOM 3584 C CB . GLU A 1 14 ? 1.287 14.530 13.137 1.00 0.00 ? 14 GLU A CB 7 ATOM 3585 C CG . GLU A 1 14 ? 0.128 15.455 12.706 1.00 0.00 ? 14 GLU A CG 7 ATOM 3586 C CD . GLU A 1 14 ? 0.378 16.137 11.363 1.00 0.00 ? 14 GLU A CD 7 ATOM 3587 O OE1 . GLU A 1 14 ? 1.187 17.108 11.282 1.00 0.00 ? 14 GLU A OE1 7 ATOM 3588 O OE2 . GLU A 1 14 ? -0.298 15.723 10.387 1.00 0.00 ? 14 GLU A OE2 7 ATOM 3589 H H . GLU A 1 14 ? 2.881 14.354 11.174 1.00 0.00 ? 14 GLU A H 7 ATOM 3590 H HA . GLU A 1 14 ? 2.537 16.264 13.271 1.00 0.00 ? 14 GLU A HA 7 ATOM 3591 H HB2 . GLU A 1 14 ? 1.291 13.639 12.470 1.00 0.00 ? 14 GLU A HB2 7 ATOM 3592 H HB3 . GLU A 1 14 ? 0.997 14.187 14.155 1.00 0.00 ? 14 GLU A HB3 7 ATOM 3593 H HG2 . GLU A 1 14 ? -0.807 14.856 12.634 1.00 0.00 ? 14 GLU A HG2 7 ATOM 3594 H HG3 . GLU A 1 14 ? -0.029 16.256 13.457 1.00 0.00 ? 14 GLU A HG3 7 ATOM 3595 N N . GLN A 1 15 ? 4.541 13.778 13.866 1.00 0.00 ? 15 GLN A N 7 ATOM 3596 C CA . GLN A 1 15 ? 5.560 13.266 14.780 1.00 0.00 ? 15 GLN A CA 7 ATOM 3597 C C . GLN A 1 15 ? 6.835 14.082 14.727 1.00 0.00 ? 15 GLN A C 7 ATOM 3598 O O . GLN A 1 15 ? 7.469 14.327 15.755 1.00 0.00 ? 15 GLN A O 7 ATOM 3599 C CB . GLN A 1 15 ? 5.914 11.764 14.542 1.00 0.00 ? 15 GLN A CB 7 ATOM 3600 C CG . GLN A 1 15 ? 6.382 11.006 15.802 1.00 0.00 ? 15 GLN A CG 7 ATOM 3601 C CD . GLN A 1 15 ? 7.884 10.756 15.809 1.00 0.00 ? 15 GLN A CD 7 ATOM 3602 O OE1 . GLN A 1 15 ? 8.331 9.660 15.479 1.00 0.00 ? 15 GLN A OE1 7 ATOM 3603 N NE2 . GLN A 1 15 ? 8.681 11.759 16.237 1.00 0.00 ? 15 GLN A NE2 7 ATOM 3604 H H . GLN A 1 15 ? 4.503 13.331 12.966 1.00 0.00 ? 15 GLN A H 7 ATOM 3605 H HA . GLN A 1 15 ? 5.170 13.336 15.787 1.00 0.00 ? 15 GLN A HA 7 ATOM 3606 H HB2 . GLN A 1 15 ? 4.967 11.270 14.242 1.00 0.00 ? 15 GLN A HB2 7 ATOM 3607 H HB3 . GLN A 1 15 ? 6.592 11.593 13.672 1.00 0.00 ? 15 GLN A HB3 7 ATOM 3608 H HG2 . GLN A 1 15 ? 6.069 11.541 16.721 1.00 0.00 ? 15 GLN A HG2 7 ATOM 3609 H HG3 . GLN A 1 15 ? 5.899 10.009 15.801 1.00 0.00 ? 15 GLN A HG3 7 ATOM 3610 H HE21 . GLN A 1 15 ? 8.319 12.700 16.302 1.00 0.00 ? 15 GLN A HE21 7 ATOM 3611 H HE22 . GLN A 1 15 ? 9.641 11.581 16.439 1.00 0.00 ? 15 GLN A HE22 7 ATOM 3612 N N . ALA A 1 16 ? 7.249 14.551 13.514 1.00 0.00 ? 16 ALA A N 7 ATOM 3613 C CA . ALA A 1 16 ? 8.519 15.259 13.322 1.00 0.00 ? 16 ALA A CA 7 ATOM 3614 C C . ALA A 1 16 ? 8.461 16.697 13.801 1.00 0.00 ? 16 ALA A C 7 ATOM 3615 O O . ALA A 1 16 ? 9.455 17.291 14.207 1.00 0.00 ? 16 ALA A O 7 ATOM 3616 C CB . ALA A 1 16 ? 8.974 15.259 11.845 1.00 0.00 ? 16 ALA A CB 7 ATOM 3617 H H . ALA A 1 16 ? 6.765 14.312 12.665 1.00 0.00 ? 16 ALA A H 7 ATOM 3618 H HA . ALA A 1 16 ? 9.291 14.757 13.889 1.00 0.00 ? 16 ALA A HA 7 ATOM 3619 H HB1 . ALA A 1 16 ? 9.025 14.210 11.485 1.00 0.00 ? 16 ALA A HB1 7 ATOM 3620 H HB2 . ALA A 1 16 ? 8.260 15.791 11.179 1.00 0.00 ? 16 ALA A HB2 7 ATOM 3621 H HB3 . ALA A 1 16 ? 9.985 15.701 11.710 1.00 0.00 ? 16 ALA A HB3 7 ATOM 3622 N N . ALA A 1 17 ? 7.229 17.276 13.807 1.00 0.00 ? 17 ALA A N 7 ATOM 3623 C CA . ALA A 1 17 ? 6.964 18.612 14.302 1.00 0.00 ? 17 ALA A CA 7 ATOM 3624 C C . ALA A 1 17 ? 6.621 18.600 15.776 1.00 0.00 ? 17 ALA A C 7 ATOM 3625 O O . ALA A 1 17 ? 6.563 19.644 16.416 1.00 0.00 ? 17 ALA A O 7 ATOM 3626 C CB . ALA A 1 17 ? 5.824 19.304 13.535 1.00 0.00 ? 17 ALA A CB 7 ATOM 3627 H H . ALA A 1 17 ? 6.438 16.791 13.431 1.00 0.00 ? 17 ALA A H 7 ATOM 3628 H HA . ALA A 1 17 ? 7.839 19.234 14.169 1.00 0.00 ? 17 ALA A HA 7 ATOM 3629 H HB1 . ALA A 1 17 ? 6.047 19.309 12.446 1.00 0.00 ? 17 ALA A HB1 7 ATOM 3630 H HB2 . ALA A 1 17 ? 4.838 18.803 13.661 1.00 0.00 ? 17 ALA A HB2 7 ATOM 3631 H HB3 . ALA A 1 17 ? 5.754 20.361 13.870 1.00 0.00 ? 17 ALA A HB3 7 ATOM 3632 N N . LYS A 1 18 ? 6.432 17.396 16.385 1.00 0.00 ? 18 LYS A N 7 ATOM 3633 C CA . LYS A 1 18 ? 6.036 17.193 17.774 1.00 0.00 ? 18 LYS A CA 7 ATOM 3634 C C . LYS A 1 18 ? 7.249 17.286 18.651 1.00 0.00 ? 18 LYS A C 7 ATOM 3635 O O . LYS A 1 18 ? 7.226 17.946 19.674 1.00 0.00 ? 18 LYS A O 7 ATOM 3636 C CB . LYS A 1 18 ? 5.364 15.810 17.957 1.00 0.00 ? 18 LYS A CB 7 ATOM 3637 C CG . LYS A 1 18 ? 5.007 15.304 19.364 1.00 0.00 ? 18 LYS A CG 7 ATOM 3638 C CD . LYS A 1 18 ? 4.223 13.994 19.229 1.00 0.00 ? 18 LYS A CD 7 ATOM 3639 C CE . LYS A 1 18 ? 4.152 13.127 20.494 1.00 0.00 ? 18 LYS A CE 7 ATOM 3640 N NZ . LYS A 1 18 ? 5.407 12.353 20.714 1.00 0.00 ? 18 LYS A NZ 7 ATOM 3641 H H . LYS A 1 18 ? 6.571 16.557 15.862 1.00 0.00 ? 18 LYS A H 7 ATOM 3642 H HA . LYS A 1 18 ? 5.340 17.971 18.074 1.00 0.00 ? 18 LYS A HA 7 ATOM 3643 H HB2 . LYS A 1 18 ? 4.424 15.834 17.373 1.00 0.00 ? 18 LYS A HB2 7 ATOM 3644 H HB3 . LYS A 1 18 ? 6.005 15.027 17.505 1.00 0.00 ? 18 LYS A HB3 7 ATOM 3645 H HG2 . LYS A 1 18 ? 5.939 15.112 19.935 1.00 0.00 ? 18 LYS A HG2 7 ATOM 3646 H HG3 . LYS A 1 18 ? 4.397 16.060 19.911 1.00 0.00 ? 18 LYS A HG3 7 ATOM 3647 H HD2 . LYS A 1 18 ? 3.191 14.280 18.929 1.00 0.00 ? 18 LYS A HD2 7 ATOM 3648 H HD3 . LYS A 1 18 ? 4.642 13.398 18.385 1.00 0.00 ? 18 LYS A HD3 7 ATOM 3649 H HE2 . LYS A 1 18 ? 3.951 13.755 21.389 1.00 0.00 ? 18 LYS A HE2 7 ATOM 3650 H HE3 . LYS A 1 18 ? 3.330 12.384 20.380 1.00 0.00 ? 18 LYS A HE3 7 ATOM 3651 H HZ1 . LYS A 1 18 ? 6.233 12.990 20.754 1.00 0.00 ? 18 LYS A HZ1 7 ATOM 3652 H HZ2 . LYS A 1 18 ? 5.323 11.825 21.610 1.00 0.00 ? 18 LYS A HZ2 7 ATOM 3653 H HZ3 . LYS A 1 18 ? 5.531 11.664 19.943 1.00 0.00 ? 18 LYS A HZ3 7 ATOM 3654 N N . ASP A 1 19 ? 8.374 16.681 18.207 1.00 0.00 ? 19 ASP A N 7 ATOM 3655 C CA . ASP A 1 19 ? 9.696 16.692 18.824 1.00 0.00 ? 19 ASP A CA 7 ATOM 3656 C C . ASP A 1 19 ? 10.383 18.034 18.610 1.00 0.00 ? 19 ASP A C 7 ATOM 3657 O O . ASP A 1 19 ? 11.127 18.524 19.453 1.00 0.00 ? 19 ASP A O 7 ATOM 3658 C CB . ASP A 1 19 ? 10.577 15.543 18.221 1.00 0.00 ? 19 ASP A CB 7 ATOM 3659 C CG . ASP A 1 19 ? 11.652 15.044 19.182 1.00 0.00 ? 19 ASP A CG 7 ATOM 3660 O OD1 . ASP A 1 19 ? 11.262 14.888 20.368 1.00 0.00 ? 19 ASP A OD1 7 ATOM 3661 O OD2 . ASP A 1 19 ? 12.818 14.793 18.782 1.00 0.00 ? 19 ASP A OD2 7 ATOM 3662 H H . ASP A 1 19 ? 8.316 16.119 17.399 1.00 0.00 ? 19 ASP A H 7 ATOM 3663 H HA . ASP A 1 19 ? 9.568 16.533 19.888 1.00 0.00 ? 19 ASP A HA 7 ATOM 3664 H HB2 . ASP A 1 19 ? 9.926 14.660 18.074 1.00 0.00 ? 19 ASP A HB2 7 ATOM 3665 H HB3 . ASP A 1 19 ? 11.026 15.780 17.231 1.00 0.00 ? 19 ASP A HB3 7 ATOM 3666 N N . ALA A 1 20 ? 10.081 18.681 17.447 1.00 0.00 ? 20 ALA A N 7 ATOM 3667 C CA . ALA A 1 20 ? 10.714 19.896 16.968 1.00 0.00 ? 20 ALA A CA 7 ATOM 3668 C C . ALA A 1 20 ? 10.029 21.168 17.428 1.00 0.00 ? 20 ALA A C 7 ATOM 3669 O O . ALA A 1 20 ? 10.697 22.188 17.563 1.00 0.00 ? 20 ALA A O 7 ATOM 3670 C CB . ALA A 1 20 ? 10.867 19.907 15.428 1.00 0.00 ? 20 ALA A CB 7 ATOM 3671 H H . ALA A 1 20 ? 9.429 18.264 16.819 1.00 0.00 ? 20 ALA A H 7 ATOM 3672 H HA . ALA A 1 20 ? 11.726 19.930 17.359 1.00 0.00 ? 20 ALA A HA 7 ATOM 3673 H HB1 . ALA A 1 20 ? 11.407 18.989 15.106 1.00 0.00 ? 20 ALA A HB1 7 ATOM 3674 H HB2 . ALA A 1 20 ? 9.886 19.926 14.907 1.00 0.00 ? 20 ALA A HB2 7 ATOM 3675 H HB3 . ALA A 1 20 ? 11.468 20.779 15.084 1.00 0.00 ? 20 ALA A HB3 7 ATOM 3676 N N . GLU A 1 21 ? 8.684 21.173 17.691 1.00 0.00 ? 21 GLU A N 7 ATOM 3677 C CA . GLU A 1 21 ? 8.003 22.320 18.288 1.00 0.00 ? 21 GLU A CA 7 ATOM 3678 C C . GLU A 1 21 ? 7.983 22.247 19.801 1.00 0.00 ? 21 GLU A C 7 ATOM 3679 O O . GLU A 1 21 ? 7.780 23.278 20.432 1.00 0.00 ? 21 GLU A O 7 ATOM 3680 C CB . GLU A 1 21 ? 6.535 22.579 17.804 1.00 0.00 ? 21 GLU A CB 7 ATOM 3681 C CG . GLU A 1 21 ? 6.426 23.149 16.370 1.00 0.00 ? 21 GLU A CG 7 ATOM 3682 C CD . GLU A 1 21 ? 5.201 24.071 16.286 1.00 0.00 ? 21 GLU A CD 7 ATOM 3683 O OE1 . GLU A 1 21 ? 5.253 25.159 16.912 1.00 0.00 ? 21 GLU A OE1 7 ATOM 3684 O OE2 . GLU A 1 21 ? 4.194 23.707 15.621 1.00 0.00 ? 21 GLU A OE2 7 ATOM 3685 H H . GLU A 1 21 ? 8.093 20.388 17.478 1.00 0.00 ? 21 GLU A H 7 ATOM 3686 H HA . GLU A 1 21 ? 8.545 23.230 18.049 1.00 0.00 ? 21 GLU A HA 7 ATOM 3687 H HB2 . GLU A 1 21 ? 5.903 21.666 17.889 1.00 0.00 ? 21 GLU A HB2 7 ATOM 3688 H HB3 . GLU A 1 21 ? 6.076 23.368 18.452 1.00 0.00 ? 21 GLU A HB3 7 ATOM 3689 H HG2 . GLU A 1 21 ? 7.314 23.781 16.155 1.00 0.00 ? 21 GLU A HG2 7 ATOM 3690 H HG3 . GLU A 1 21 ? 6.383 22.332 15.620 1.00 0.00 ? 21 GLU A HG3 7 ATOM 3691 N N . ASN A 1 22 ? 8.204 21.060 20.439 1.00 0.00 ? 22 ASN A N 7 ATOM 3692 C CA . ASN A 1 22 ? 8.137 20.859 21.889 1.00 0.00 ? 22 ASN A CA 7 ATOM 3693 C C . ASN A 1 22 ? 9.394 21.331 22.589 1.00 0.00 ? 22 ASN A C 7 ATOM 3694 O O . ASN A 1 22 ? 9.339 21.810 23.718 1.00 0.00 ? 22 ASN A O 7 ATOM 3695 C CB . ASN A 1 22 ? 7.889 19.363 22.278 1.00 0.00 ? 22 ASN A CB 7 ATOM 3696 C CG . ASN A 1 22 ? 6.382 19.078 22.367 1.00 0.00 ? 22 ASN A CG 7 ATOM 3697 O OD1 . ASN A 1 22 ? 5.529 19.946 22.538 1.00 0.00 ? 22 ASN A OD1 7 ATOM 3698 N ND2 . ASN A 1 22 ? 6.018 17.783 22.225 1.00 0.00 ? 22 ASN A ND2 7 ATOM 3699 H H . ASN A 1 22 ? 8.340 20.225 19.916 1.00 0.00 ? 22 ASN A H 7 ATOM 3700 H HA . ASN A 1 22 ? 7.339 21.477 22.284 1.00 0.00 ? 22 ASN A HA 7 ATOM 3701 H HB2 . ASN A 1 22 ? 8.386 18.712 21.519 1.00 0.00 ? 22 ASN A HB2 7 ATOM 3702 H HB3 . ASN A 1 22 ? 8.307 19.056 23.261 1.00 0.00 ? 22 ASN A HB3 7 ATOM 3703 H HD21 . ASN A 1 22 ? 6.696 17.159 21.825 1.00 0.00 ? 22 ASN A HD21 7 ATOM 3704 H HD22 . ASN A 1 22 ? 5.051 17.542 22.266 1.00 0.00 ? 22 ASN A HD22 7 ATOM 3705 N N . ALA A 1 23 ? 10.562 21.294 21.894 1.00 0.00 ? 23 ALA A N 7 ATOM 3706 C CA . ALA A 1 23 ? 11.874 21.636 22.445 1.00 0.00 ? 23 ALA A CA 7 ATOM 3707 C C . ALA A 1 23 ? 12.042 23.129 22.720 1.00 0.00 ? 23 ALA A C 7 ATOM 3708 O O . ALA A 1 23 ? 12.774 23.534 23.616 1.00 0.00 ? 23 ALA A O 7 ATOM 3709 C CB . ALA A 1 23 ? 13.017 21.154 21.509 1.00 0.00 ? 23 ALA A CB 7 ATOM 3710 H H . ALA A 1 23 ? 10.574 20.916 20.973 1.00 0.00 ? 23 ALA A H 7 ATOM 3711 H HA . ALA A 1 23 ? 11.989 21.113 23.391 1.00 0.00 ? 23 ALA A HA 7 ATOM 3712 H HB1 . ALA A 1 23 ? 12.886 20.067 21.315 1.00 0.00 ? 23 ALA A HB1 7 ATOM 3713 H HB2 . ALA A 1 23 ? 13.017 21.672 20.524 1.00 0.00 ? 23 ALA A HB2 7 ATOM 3714 H HB3 . ALA A 1 23 ? 14.019 21.282 21.980 1.00 0.00 ? 23 ALA A HB3 7 ATOM 3715 N N . SER A 1 24 ? 11.306 23.983 21.956 1.00 0.00 ? 24 SER A N 7 ATOM 3716 C CA . SER A 1 24 ? 11.203 25.422 22.137 1.00 0.00 ? 24 SER A CA 7 ATOM 3717 C C . SER A 1 24 ? 10.048 25.826 23.044 1.00 0.00 ? 24 SER A C 7 ATOM 3718 O O . SER A 1 24 ? 9.945 26.982 23.442 1.00 0.00 ? 24 SER A O 7 ATOM 3719 C CB . SER A 1 24 ? 11.147 26.166 20.764 1.00 0.00 ? 24 SER A CB 7 ATOM 3720 O OG . SER A 1 24 ? 11.708 27.477 20.837 1.00 0.00 ? 24 SER A OG 7 ATOM 3721 H H . SER A 1 24 ? 10.765 23.606 21.211 1.00 0.00 ? 24 SER A H 7 ATOM 3722 H HA . SER A 1 24 ? 12.082 25.739 22.670 1.00 0.00 ? 24 SER A HA 7 ATOM 3723 H HB2 . SER A 1 24 ? 11.771 25.597 20.042 1.00 0.00 ? 24 SER A HB2 7 ATOM 3724 H HB3 . SER A 1 24 ? 10.119 26.213 20.334 1.00 0.00 ? 24 SER A HB3 7 ATOM 3725 H HG . SER A 1 24 ? 11.190 27.965 21.486 1.00 0.00 ? 24 SER A HG 7 ATOM 3726 N N . LYS A 1 25 ? 9.179 24.855 23.430 1.00 0.00 ? 25 LYS A N 7 ATOM 3727 C CA . LYS A 1 25 ? 8.094 24.962 24.393 1.00 0.00 ? 25 LYS A CA 7 ATOM 3728 C C . LYS A 1 25 ? 8.568 24.599 25.789 1.00 0.00 ? 25 LYS A C 7 ATOM 3729 O O . LYS A 1 25 ? 8.082 25.152 26.772 1.00 0.00 ? 25 LYS A O 7 ATOM 3730 C CB . LYS A 1 25 ? 6.893 24.059 23.999 1.00 0.00 ? 25 LYS A CB 7 ATOM 3731 C CG . LYS A 1 25 ? 6.011 24.590 22.858 1.00 0.00 ? 25 LYS A CG 7 ATOM 3732 C CD . LYS A 1 25 ? 5.368 25.951 23.149 1.00 0.00 ? 25 LYS A CD 7 ATOM 3733 C CE . LYS A 1 25 ? 3.899 26.122 22.710 1.00 0.00 ? 25 LYS A CE 7 ATOM 3734 N NZ . LYS A 1 25 ? 2.974 25.364 23.602 1.00 0.00 ? 25 LYS A NZ 7 ATOM 3735 H H . LYS A 1 25 ? 9.304 23.931 23.078 1.00 0.00 ? 25 LYS A H 7 ATOM 3736 H HA . LYS A 1 25 ? 7.766 25.991 24.447 1.00 0.00 ? 25 LYS A HA 7 ATOM 3737 H HB2 . LYS A 1 25 ? 7.301 23.083 23.660 1.00 0.00 ? 25 LYS A HB2 7 ATOM 3738 H HB3 . LYS A 1 25 ? 6.222 23.856 24.856 1.00 0.00 ? 25 LYS A HB3 7 ATOM 3739 H HG2 . LYS A 1 25 ? 6.625 24.702 21.937 1.00 0.00 ? 25 LYS A HG2 7 ATOM 3740 H HG3 . LYS A 1 25 ? 5.240 23.821 22.639 1.00 0.00 ? 25 LYS A HG3 7 ATOM 3741 H HD2 . LYS A 1 25 ? 5.463 26.162 24.235 1.00 0.00 ? 25 LYS A HD2 7 ATOM 3742 H HD3 . LYS A 1 25 ? 5.996 26.702 22.618 1.00 0.00 ? 25 LYS A HD3 7 ATOM 3743 H HE2 . LYS A 1 25 ? 3.610 27.194 22.789 1.00 0.00 ? 25 LYS A HE2 7 ATOM 3744 H HE3 . LYS A 1 25 ? 3.751 25.785 21.660 1.00 0.00 ? 25 LYS A HE3 7 ATOM 3745 H HZ1 . LYS A 1 25 ? 3.231 24.354 23.615 1.00 0.00 ? 25 LYS A HZ1 7 ATOM 3746 H HZ2 . LYS A 1 25 ? 3.029 25.748 24.570 1.00 0.00 ? 25 LYS A HZ2 7 ATOM 3747 H HZ3 . LYS A 1 25 ? 1.997 25.468 23.256 1.00 0.00 ? 25 LYS A HZ3 7 ATOM 3748 N N . GLU A 1 26 ? 9.599 23.702 25.908 1.00 0.00 ? 26 GLU A N 7 ATOM 3749 C CA . GLU A 1 26 ? 10.309 23.339 27.135 1.00 0.00 ? 26 GLU A CA 7 ATOM 3750 C C . GLU A 1 26 ? 11.296 24.418 27.566 1.00 0.00 ? 26 GLU A C 7 ATOM 3751 O O . GLU A 1 26 ? 11.914 24.338 28.622 1.00 0.00 ? 26 GLU A O 7 ATOM 3752 C CB . GLU A 1 26 ? 11.114 22.001 26.968 1.00 0.00 ? 26 GLU A CB 7 ATOM 3753 C CG . GLU A 1 26 ? 10.259 20.726 26.796 1.00 0.00 ? 26 GLU A CG 7 ATOM 3754 C CD . GLU A 1 26 ? 11.196 19.519 26.606 1.00 0.00 ? 26 GLU A CD 7 ATOM 3755 O OE1 . GLU A 1 26 ? 11.763 19.433 25.484 1.00 0.00 ? 26 GLU A OE1 7 ATOM 3756 O OE2 . GLU A 1 26 ? 11.372 18.716 27.565 1.00 0.00 ? 26 GLU A OE2 7 ATOM 3757 H H . GLU A 1 26 ? 9.871 23.146 25.119 1.00 0.00 ? 26 GLU A H 7 ATOM 3758 H HA . GLU A 1 26 ? 9.593 23.230 27.941 1.00 0.00 ? 26 GLU A HA 7 ATOM 3759 H HB2 . GLU A 1 26 ? 11.797 22.077 26.090 1.00 0.00 ? 26 GLU A HB2 7 ATOM 3760 H HB3 . GLU A 1 26 ? 11.742 21.799 27.868 1.00 0.00 ? 26 GLU A HB3 7 ATOM 3761 H HG2 . GLU A 1 26 ? 9.642 20.571 27.706 1.00 0.00 ? 26 GLU A HG2 7 ATOM 3762 H HG3 . GLU A 1 26 ? 9.587 20.799 25.916 1.00 0.00 ? 26 GLU A HG3 7 ATOM 3763 N N . ALA A 1 27 ? 11.437 25.487 26.738 1.00 0.00 ? 27 ALA A N 7 ATOM 3764 C CA . ALA A 1 27 ? 12.333 26.611 26.932 1.00 0.00 ? 27 ALA A CA 7 ATOM 3765 C C . ALA A 1 27 ? 11.788 27.666 27.876 1.00 0.00 ? 27 ALA A C 7 ATOM 3766 O O . ALA A 1 27 ? 12.498 28.616 28.200 1.00 0.00 ? 27 ALA A O 7 ATOM 3767 C CB . ALA A 1 27 ? 12.660 27.299 25.582 1.00 0.00 ? 27 ALA A CB 7 ATOM 3768 H H . ALA A 1 27 ? 10.865 25.514 25.918 1.00 0.00 ? 27 ALA A H 7 ATOM 3769 H HA . ALA A 1 27 ? 13.257 26.244 27.362 1.00 0.00 ? 27 ALA A HA 7 ATOM 3770 H HB1 . ALA A 1 27 ? 13.086 26.552 24.880 1.00 0.00 ? 27 ALA A HB1 7 ATOM 3771 H HB2 . ALA A 1 27 ? 11.753 27.733 25.103 1.00 0.00 ? 27 ALA A HB2 7 ATOM 3772 H HB3 . ALA A 1 27 ? 13.414 28.109 25.703 1.00 0.00 ? 27 ALA A HB3 7 ATOM 3773 N N . GLU A 1 28 ? 10.523 27.490 28.370 1.00 0.00 ? 28 GLU A N 7 ATOM 3774 C CA . GLU A 1 28 ? 9.712 28.338 29.244 1.00 0.00 ? 28 GLU A CA 7 ATOM 3775 C C . GLU A 1 28 ? 10.363 28.655 30.569 1.00 0.00 ? 28 GLU A C 7 ATOM 3776 O O . GLU A 1 28 ? 10.263 29.774 31.048 1.00 0.00 ? 28 GLU A O 7 ATOM 3777 C CB . GLU A 1 28 ? 8.318 27.682 29.562 1.00 0.00 ? 28 GLU A CB 7 ATOM 3778 C CG . GLU A 1 28 ? 7.234 27.922 28.484 1.00 0.00 ? 28 GLU A CG 7 ATOM 3779 C CD . GLU A 1 28 ? 6.027 28.608 29.134 1.00 0.00 ? 28 GLU A CD 7 ATOM 3780 O OE1 . GLU A 1 28 ? 6.244 29.725 29.666 1.00 0.00 ? 28 GLU A OE1 7 ATOM 3781 O OE2 . GLU A 1 28 ? 4.893 28.053 29.127 1.00 0.00 ? 28 GLU A OE2 7 ATOM 3782 H H . GLU A 1 28 ? 10.027 26.686 28.063 1.00 0.00 ? 28 GLU A H 7 ATOM 3783 H HA . GLU A 1 28 ? 9.549 29.282 28.743 1.00 0.00 ? 28 GLU A HA 7 ATOM 3784 H HB2 . GLU A 1 28 ? 8.434 26.587 29.703 1.00 0.00 ? 28 GLU A HB2 7 ATOM 3785 H HB3 . GLU A 1 28 ? 7.887 28.059 30.523 1.00 0.00 ? 28 GLU A HB3 7 ATOM 3786 H HG2 . GLU A 1 28 ? 7.629 28.604 27.704 1.00 0.00 ? 28 GLU A HG2 7 ATOM 3787 H HG3 . GLU A 1 28 ? 6.908 26.975 28.008 1.00 0.00 ? 28 GLU A HG3 7 ATOM 3788 N N . GLU A 1 29 ? 11.034 27.641 31.174 1.00 0.00 ? 29 GLU A N 7 ATOM 3789 C CA . GLU A 1 29 ? 11.637 27.662 32.500 1.00 0.00 ? 29 GLU A CA 7 ATOM 3790 C C . GLU A 1 29 ? 13.083 28.125 32.479 1.00 0.00 ? 29 GLU A C 7 ATOM 3791 O O . GLU A 1 29 ? 13.602 28.652 33.461 1.00 0.00 ? 29 GLU A O 7 ATOM 3792 C CB . GLU A 1 29 ? 11.467 26.266 33.179 1.00 0.00 ? 29 GLU A CB 7 ATOM 3793 C CG . GLU A 1 29 ? 11.645 25.029 32.252 1.00 0.00 ? 29 GLU A CG 7 ATOM 3794 C CD . GLU A 1 29 ? 11.115 23.796 32.983 1.00 0.00 ? 29 GLU A CD 7 ATOM 3795 O OE1 . GLU A 1 29 ? 11.713 23.425 34.028 1.00 0.00 ? 29 GLU A OE1 7 ATOM 3796 O OE2 . GLU A 1 29 ? 10.089 23.244 32.504 1.00 0.00 ? 29 GLU A OE2 7 ATOM 3797 H H . GLU A 1 29 ? 11.054 26.752 30.719 1.00 0.00 ? 29 GLU A H 7 ATOM 3798 H HA . GLU A 1 29 ? 11.117 28.396 33.103 1.00 0.00 ? 29 GLU A HA 7 ATOM 3799 H HB2 . GLU A 1 29 ? 12.095 26.142 34.093 1.00 0.00 ? 29 GLU A HB2 7 ATOM 3800 H HB3 . GLU A 1 29 ? 10.407 26.225 33.519 1.00 0.00 ? 29 GLU A HB3 7 ATOM 3801 H HG2 . GLU A 1 29 ? 11.061 25.108 31.313 1.00 0.00 ? 29 GLU A HG2 7 ATOM 3802 H HG3 . GLU A 1 29 ? 12.711 24.855 31.997 1.00 0.00 ? 29 GLU A HG3 7 ATOM 3803 N N . ALA A 1 30 ? 13.743 27.984 31.298 1.00 0.00 ? 30 ALA A N 7 ATOM 3804 C CA . ALA A 1 30 ? 15.121 28.345 31.009 1.00 0.00 ? 30 ALA A CA 7 ATOM 3805 C C . ALA A 1 30 ? 15.173 29.780 30.534 1.00 0.00 ? 30 ALA A C 7 ATOM 3806 O O . ALA A 1 30 ? 16.045 30.545 30.924 1.00 0.00 ? 30 ALA A O 7 ATOM 3807 C CB . ALA A 1 30 ? 15.744 27.421 29.929 1.00 0.00 ? 30 ALA A CB 7 ATOM 3808 H H . ALA A 1 30 ? 13.238 27.597 30.533 1.00 0.00 ? 30 ALA A H 7 ATOM 3809 H HA . ALA A 1 30 ? 15.715 28.268 31.910 1.00 0.00 ? 30 ALA A HA 7 ATOM 3810 H HB1 . ALA A 1 30 ? 15.134 27.395 28.996 1.00 0.00 ? 30 ALA A HB1 7 ATOM 3811 H HB2 . ALA A 1 30 ? 16.786 27.709 29.668 1.00 0.00 ? 30 ALA A HB2 7 ATOM 3812 H HB3 . ALA A 1 30 ? 15.778 26.384 30.329 1.00 0.00 ? 30 ALA A HB3 7 ATOM 3813 N N . ALA A 1 31 ? 14.154 30.197 29.729 1.00 0.00 ? 31 ALA A N 7 ATOM 3814 C CA . ALA A 1 31 ? 13.903 31.565 29.288 1.00 0.00 ? 31 ALA A CA 7 ATOM 3815 C C . ALA A 1 31 ? 12.979 32.297 30.247 1.00 0.00 ? 31 ALA A C 7 ATOM 3816 O O . ALA A 1 31 ? 12.105 33.066 29.847 1.00 0.00 ? 31 ALA A O 7 ATOM 3817 C CB . ALA A 1 31 ? 13.334 31.632 27.846 1.00 0.00 ? 31 ALA A CB 7 ATOM 3818 H H . ALA A 1 31 ? 13.456 29.541 29.403 1.00 0.00 ? 31 ALA A H 7 ATOM 3819 H HA . ALA A 1 31 ? 14.839 32.105 29.279 1.00 0.00 ? 31 ALA A HA 7 ATOM 3820 H HB1 . ALA A 1 31 ? 14.010 31.102 27.146 1.00 0.00 ? 31 ALA A HB1 7 ATOM 3821 H HB2 . ALA A 1 31 ? 12.338 31.144 27.790 1.00 0.00 ? 31 ALA A HB2 7 ATOM 3822 H HB3 . ALA A 1 31 ? 13.221 32.681 27.492 1.00 0.00 ? 31 ALA A HB3 7 ATOM 3823 N N . LYS A 1 32 ? 13.198 32.074 31.560 1.00 0.00 ? 32 LYS A N 7 ATOM 3824 C CA . LYS A 1 32 ? 12.469 32.675 32.651 1.00 0.00 ? 32 LYS A CA 7 ATOM 3825 C C . LYS A 1 32 ? 13.540 33.307 33.515 1.00 0.00 ? 32 LYS A C 7 ATOM 3826 O O . LYS A 1 32 ? 13.978 34.435 33.269 1.00 0.00 ? 32 LYS A O 7 ATOM 3827 C CB . LYS A 1 32 ? 11.597 31.595 33.373 1.00 0.00 ? 32 LYS A CB 7 ATOM 3828 C CG . LYS A 1 32 ? 10.150 31.979 33.779 1.00 0.00 ? 32 LYS A CG 7 ATOM 3829 C CD . LYS A 1 32 ? 10.026 32.725 35.121 1.00 0.00 ? 32 LYS A CD 7 ATOM 3830 C CE . LYS A 1 32 ? 10.549 31.893 36.316 1.00 0.00 ? 32 LYS A CE 7 ATOM 3831 N NZ . LYS A 1 32 ? 10.468 32.601 37.612 1.00 0.00 ? 32 LYS A NZ 7 ATOM 3832 H H . LYS A 1 32 ? 13.856 31.368 31.814 1.00 0.00 ? 32 LYS A H 7 ATOM 3833 H HA . LYS A 1 32 ? 11.813 33.460 32.300 1.00 0.00 ? 32 LYS A HA 7 ATOM 3834 H HB2 . LYS A 1 32 ? 11.418 30.853 32.581 1.00 0.00 ? 32 LYS A HB2 7 ATOM 3835 H HB3 . LYS A 1 32 ? 12.103 31.007 34.168 1.00 0.00 ? 32 LYS A HB3 7 ATOM 3836 H HG2 . LYS A 1 32 ? 9.678 32.564 32.955 1.00 0.00 ? 32 LYS A HG2 7 ATOM 3837 H HG3 . LYS A 1 32 ? 9.565 31.035 33.869 1.00 0.00 ? 32 LYS A HG3 7 ATOM 3838 H HD2 . LYS A 1 32 ? 10.602 33.670 35.026 1.00 0.00 ? 32 LYS A HD2 7 ATOM 3839 H HD3 . LYS A 1 32 ? 8.961 33.004 35.290 1.00 0.00 ? 32 LYS A HD3 7 ATOM 3840 H HE2 . LYS A 1 32 ? 9.980 30.940 36.409 1.00 0.00 ? 32 LYS A HE2 7 ATOM 3841 H HE3 . LYS A 1 32 ? 11.620 31.644 36.173 1.00 0.00 ? 32 LYS A HE3 7 ATOM 3842 H HZ1 . LYS A 1 32 ? 10.512 33.667 37.467 1.00 0.00 ? 32 LYS A HZ1 7 ATOM 3843 H HZ2 . LYS A 1 32 ? 9.592 32.378 38.111 1.00 0.00 ? 32 LYS A HZ2 7 ATOM 3844 H HZ3 . LYS A 1 32 ? 11.291 32.271 38.228 1.00 0.00 ? 32 LYS A HZ3 7 ATOM 3845 N N . GLU A 1 33 ? 14.068 32.536 34.507 1.00 0.00 ? 33 GLU A N 7 ATOM 3846 C CA . GLU A 1 33 ? 14.807 33.016 35.671 1.00 0.00 ? 33 GLU A CA 7 ATOM 3847 C C . GLU A 1 33 ? 16.302 33.136 35.402 1.00 0.00 ? 33 GLU A C 7 ATOM 3848 O O . GLU A 1 33 ? 17.065 33.671 36.200 1.00 0.00 ? 33 GLU A O 7 ATOM 3849 C CB . GLU A 1 33 ? 14.519 32.122 36.925 1.00 0.00 ? 33 GLU A CB 7 ATOM 3850 C CG . GLU A 1 33 ? 14.264 32.933 38.206 1.00 0.00 ? 33 GLU A CG 7 ATOM 3851 C CD . GLU A 1 33 ? 13.594 32.093 39.296 1.00 0.00 ? 33 GLU A CD 7 ATOM 3852 O OE1 . GLU A 1 33 ? 12.434 31.667 38.998 1.00 0.00 ? 33 GLU A OE1 7 ATOM 3853 O OE2 . GLU A 1 33 ? 14.186 31.872 40.389 1.00 0.00 ? 33 GLU A OE2 7 ATOM 3854 H H . GLU A 1 33 ? 13.839 31.569 34.555 1.00 0.00 ? 33 GLU A H 7 ATOM 3855 H HA . GLU A 1 33 ? 14.445 34.009 35.903 1.00 0.00 ? 33 GLU A HA 7 ATOM 3856 H HB2 . GLU A 1 33 ? 13.584 31.564 36.727 1.00 0.00 ? 33 GLU A HB2 7 ATOM 3857 H HB3 . GLU A 1 33 ? 15.298 31.351 37.129 1.00 0.00 ? 33 GLU A HB3 7 ATOM 3858 H HG2 . GLU A 1 33 ? 15.255 33.290 38.535 1.00 0.00 ? 33 GLU A HG2 7 ATOM 3859 H HG3 . GLU A 1 33 ? 13.617 33.812 37.989 1.00 0.00 ? 33 GLU A HG3 7 ATOM 3860 N N . ALA A 1 34 ? 16.753 32.645 34.222 1.00 0.00 ? 34 ALA A N 7 ATOM 3861 C CA . ALA A 1 34 ? 18.102 32.836 33.713 1.00 0.00 ? 34 ALA A CA 7 ATOM 3862 C C . ALA A 1 34 ? 18.233 34.073 32.839 1.00 0.00 ? 34 ALA A C 7 ATOM 3863 O O . ALA A 1 34 ? 19.308 34.657 32.742 1.00 0.00 ? 34 ALA A O 7 ATOM 3864 C CB . ALA A 1 34 ? 18.619 31.608 32.923 1.00 0.00 ? 34 ALA A CB 7 ATOM 3865 H H . ALA A 1 34 ? 16.105 32.186 33.624 1.00 0.00 ? 34 ALA A H 7 ATOM 3866 H HA . ALA A 1 34 ? 18.777 32.964 34.554 1.00 0.00 ? 34 ALA A HA 7 ATOM 3867 H HB1 . ALA A 1 34 ? 18.506 30.696 33.545 1.00 0.00 ? 34 ALA A HB1 7 ATOM 3868 H HB2 . ALA A 1 34 ? 18.063 31.442 31.973 1.00 0.00 ? 34 ALA A HB2 7 ATOM 3869 H HB3 . ALA A 1 34 ? 19.702 31.718 32.683 1.00 0.00 ? 34 ALA A HB3 7 ATOM 3870 N N . VAL A 1 35 ? 17.143 34.466 32.121 1.00 0.00 ? 35 VAL A N 7 ATOM 3871 C CA . VAL A 1 35 ? 17.198 35.383 30.986 1.00 0.00 ? 35 VAL A CA 7 ATOM 3872 C C . VAL A 1 35 ? 16.610 36.725 31.361 1.00 0.00 ? 35 VAL A C 7 ATOM 3873 O O . VAL A 1 35 ? 17.208 37.760 31.082 1.00 0.00 ? 35 VAL A O 7 ATOM 3874 C CB . VAL A 1 35 ? 16.500 34.797 29.753 1.00 0.00 ? 35 VAL A CB 7 ATOM 3875 C CG1 . VAL A 1 35 ? 16.594 35.732 28.520 1.00 0.00 ? 35 VAL A CG1 7 ATOM 3876 C CG2 . VAL A 1 35 ? 17.164 33.438 29.429 1.00 0.00 ? 35 VAL A CG2 7 ATOM 3877 H H . VAL A 1 35 ? 16.262 34.027 32.262 1.00 0.00 ? 35 VAL A H 7 ATOM 3878 H HA . VAL A 1 35 ? 18.231 35.571 30.705 1.00 0.00 ? 35 VAL A HA 7 ATOM 3879 H HB . VAL A 1 35 ? 15.424 34.609 29.973 1.00 0.00 ? 35 VAL A HB 7 ATOM 3880 H HG11 . VAL A 1 35 ? 17.655 35.983 28.297 1.00 0.00 ? 35 VAL A HG11 7 ATOM 3881 H HG12 . VAL A 1 35 ? 16.162 35.218 27.634 1.00 0.00 ? 35 VAL A HG12 7 ATOM 3882 H HG13 . VAL A 1 35 ? 16.036 36.684 28.658 1.00 0.00 ? 35 VAL A HG13 7 ATOM 3883 H HG21 . VAL A 1 35 ? 18.251 33.562 29.234 1.00 0.00 ? 35 VAL A HG21 7 ATOM 3884 H HG22 . VAL A 1 35 ? 17.041 32.708 30.256 1.00 0.00 ? 35 VAL A HG22 7 ATOM 3885 H HG23 . VAL A 1 35 ? 16.701 32.997 28.521 1.00 0.00 ? 35 VAL A HG23 7 ATOM 3886 N N . ASN A 1 36 ? 15.408 36.753 31.986 1.00 0.00 ? 36 ASN A N 7 ATOM 3887 C CA . ASN A 1 36 ? 14.708 37.994 32.322 1.00 0.00 ? 36 ASN A CA 7 ATOM 3888 C C . ASN A 1 36 ? 14.678 38.183 33.824 1.00 0.00 ? 36 ASN A C 7 ATOM 3889 O O . ASN A 1 36 ? 14.464 39.291 34.306 1.00 0.00 ? 36 ASN A O 7 ATOM 3890 C CB . ASN A 1 36 ? 13.290 38.118 31.666 1.00 0.00 ? 36 ASN A CB 7 ATOM 3891 C CG . ASN A 1 36 ? 12.411 36.901 31.959 1.00 0.00 ? 36 ASN A CG 7 ATOM 3892 O OD1 . ASN A 1 36 ? 11.874 36.828 33.059 1.00 0.00 ? 36 ASN A OD1 7 ATOM 3893 N ND2 . ASN A 1 36 ? 12.294 35.946 31.003 1.00 0.00 ? 36 ASN A ND2 7 ATOM 3894 H H . ASN A 1 36 ? 14.921 35.909 32.221 1.00 0.00 ? 36 ASN A H 7 ATOM 3895 H HA . ASN A 1 36 ? 15.257 38.852 31.954 1.00 0.00 ? 36 ASN A HA 7 ATOM 3896 H HB2 . ASN A 1 36 ? 12.757 39.029 32.022 1.00 0.00 ? 36 ASN A HB2 7 ATOM 3897 H HB3 . ASN A 1 36 ? 13.423 38.228 30.567 1.00 0.00 ? 36 ASN A HB3 7 ATOM 3898 H HD21 . ASN A 1 36 ? 12.769 36.043 30.133 1.00 0.00 ? 36 ASN A HD21 7 ATOM 3899 H HD22 . ASN A 1 36 ? 11.945 35.049 31.266 1.00 0.00 ? 36 ASN A HD22 7 ATOM 3900 N N . LEU A 1 37 ? 14.914 37.076 34.578 1.00 0.00 ? 37 LEU A N 7 ATOM 3901 C CA . LEU A 1 37 ? 15.228 37.015 36.003 1.00 0.00 ? 37 LEU A CA 7 ATOM 3902 C C . LEU A 1 37 ? 13.986 36.977 36.880 1.00 0.00 ? 37 LEU A C 7 ATOM 3903 O O . LEU A 1 37 ? 14.104 37.038 38.103 1.00 0.00 ? 37 LEU A O 7 ATOM 3904 C CB . LEU A 1 37 ? 16.262 38.068 36.565 1.00 0.00 ? 37 LEU A CB 7 ATOM 3905 C CG . LEU A 1 37 ? 17.753 37.885 36.161 1.00 0.00 ? 37 LEU A CG 7 ATOM 3906 C CD1 . LEU A 1 37 ? 18.078 38.141 34.673 1.00 0.00 ? 37 LEU A CD1 7 ATOM 3907 C CD2 . LEU A 1 37 ? 18.650 38.775 37.044 1.00 0.00 ? 37 LEU A CD2 7 ATOM 3908 H H . LEU A 1 37 ? 14.926 36.175 34.144 1.00 0.00 ? 37 LEU A H 7 ATOM 3909 H HA . LEU A 1 37 ? 15.698 36.054 36.138 1.00 0.00 ? 37 LEU A HA 7 ATOM 3910 H HB2 . LEU A 1 37 ? 15.933 39.104 36.333 1.00 0.00 ? 37 LEU A HB2 7 ATOM 3911 H HB3 . LEU A 1 37 ? 16.294 37.989 37.677 1.00 0.00 ? 37 LEU A HB3 7 ATOM 3912 H HG . LEU A 1 37 ? 18.032 36.832 36.383 1.00 0.00 ? 37 LEU A HG 7 ATOM 3913 H HD11 . LEU A 1 37 ? 17.746 39.158 34.367 1.00 0.00 ? 37 LEU A HD11 7 ATOM 3914 H HD12 . LEU A 1 37 ? 19.172 38.065 34.491 1.00 0.00 ? 37 LEU A HD12 7 ATOM 3915 H HD13 . LEU A 1 37 ? 17.578 37.391 34.027 1.00 0.00 ? 37 LEU A HD13 7 ATOM 3916 H HD21 . LEU A 1 37 ? 18.450 38.567 38.118 1.00 0.00 ? 37 LEU A HD21 7 ATOM 3917 H HD22 . LEU A 1 37 ? 19.725 38.576 36.847 1.00 0.00 ? 37 LEU A HD22 7 ATOM 3918 H HD23 . LEU A 1 37 ? 18.445 39.850 36.849 1.00 0.00 ? 37 LEU A HD23 7 ATOM 3919 N N . LYS A 1 38 ? 12.771 36.894 36.286 1.00 0.00 ? 38 LYS A N 7 ATOM 3920 C CA . LYS A 1 38 ? 11.539 37.133 37.009 1.00 0.00 ? 38 LYS A CA 7 ATOM 3921 C C . LYS A 1 38 ? 10.542 36.048 36.584 1.00 0.00 ? 38 LYS A C 7 ATOM 3922 O O . LYS A 1 38 ? 10.239 35.149 37.420 1.00 0.00 ? 38 LYS A O 7 ATOM 3923 C CB . LYS A 1 38 ? 10.969 38.551 36.702 1.00 0.00 ? 38 LYS A CB 7 ATOM 3924 C CG . LYS A 1 38 ? 10.012 39.173 37.747 1.00 0.00 ? 38 LYS A CG 7 ATOM 3925 C CD . LYS A 1 38 ? 8.498 38.975 37.531 1.00 0.00 ? 38 LYS A CD 7 ATOM 3926 C CE . LYS A 1 38 ? 7.967 37.565 37.846 1.00 0.00 ? 38 LYS A CE 7 ATOM 3927 N NZ . LYS A 1 38 ? 6.486 37.536 37.912 1.00 0.00 ? 38 LYS A NZ 7 ATOM 3928 O OXT . LYS A 1 38 ? 10.051 36.112 35.427 1.00 0.00 ? 38 LYS A OXT 7 ATOM 3929 H H . LYS A 1 38 ? 12.667 36.770 35.296 1.00 0.00 ? 38 LYS A H 7 ATOM 3930 H HA . LYS A 1 38 ? 11.696 37.044 38.079 1.00 0.00 ? 38 LYS A HA 7 ATOM 3931 H HB2 . LYS A 1 38 ? 11.845 39.235 36.695 1.00 0.00 ? 38 LYS A HB2 7 ATOM 3932 H HB3 . LYS A 1 38 ? 10.536 38.585 35.679 1.00 0.00 ? 38 LYS A HB3 7 ATOM 3933 H HG2 . LYS A 1 38 ? 10.318 38.868 38.773 1.00 0.00 ? 38 LYS A HG2 7 ATOM 3934 H HG3 . LYS A 1 38 ? 10.169 40.273 37.673 1.00 0.00 ? 38 LYS A HG3 7 ATOM 3935 H HD2 . LYS A 1 38 ? 8.015 39.707 38.215 1.00 0.00 ? 38 LYS A HD2 7 ATOM 3936 H HD3 . LYS A 1 38 ? 8.247 39.263 36.484 1.00 0.00 ? 38 LYS A HD3 7 ATOM 3937 H HE2 . LYS A 1 38 ? 8.245 36.857 37.040 1.00 0.00 ? 38 LYS A HE2 7 ATOM 3938 H HE3 . LYS A 1 38 ? 8.366 37.204 38.820 1.00 0.00 ? 38 LYS A HE3 7 ATOM 3939 H HZ1 . LYS A 1 38 ? 6.085 37.867 37.009 1.00 0.00 ? 38 LYS A HZ1 7 ATOM 3940 H HZ2 . LYS A 1 38 ? 6.199 36.550 38.074 1.00 0.00 ? 38 LYS A HZ2 7 ATOM 3941 H HZ3 . LYS A 1 38 ? 6.148 38.137 38.691 1.00 0.00 ? 38 LYS A HZ3 7 ATOM 3942 N N . GLU A 1 1 ? -7.800 12.480 7.331 1.00 0.00 ? 1 GLU A N 8 ATOM 3943 C CA . GLU A 1 1 ? -8.346 13.617 8.116 1.00 0.00 ? 1 GLU A CA 8 ATOM 3944 C C . GLU A 1 1 ? -8.752 14.692 7.154 1.00 0.00 ? 1 GLU A C 8 ATOM 3945 O O . GLU A 1 1 ? -9.939 14.928 6.963 1.00 0.00 ? 1 GLU A O 8 ATOM 3946 C CB . GLU A 1 1 ? -7.396 14.114 9.248 1.00 0.00 ? 1 GLU A CB 8 ATOM 3947 C CG . GLU A 1 1 ? -8.194 14.753 10.409 1.00 0.00 ? 1 GLU A CG 8 ATOM 3948 C CD . GLU A 1 1 ? -7.245 15.113 11.544 1.00 0.00 ? 1 GLU A CD 8 ATOM 3949 O OE1 . GLU A 1 1 ? -6.418 16.034 11.314 1.00 0.00 ? 1 GLU A OE1 8 ATOM 3950 O OE2 . GLU A 1 1 ? -7.284 14.446 12.612 1.00 0.00 ? 1 GLU A OE2 8 ATOM 3951 H H1 . GLU A 1 1 ? -6.991 12.804 6.753 1.00 0.00 ? 1 GLU A H1 8 ATOM 3952 H H2 . GLU A 1 1 ? -7.491 11.728 7.979 1.00 0.00 ? 1 GLU A H2 8 ATOM 3953 H H3 . GLU A 1 1 ? -8.551 12.130 6.705 1.00 0.00 ? 1 GLU A H3 8 ATOM 3954 H HA . GLU A 1 1 ? -9.247 13.245 8.579 1.00 0.00 ? 1 GLU A HA 8 ATOM 3955 H HB2 . GLU A 1 1 ? -6.854 13.255 9.704 1.00 0.00 ? 1 GLU A HB2 8 ATOM 3956 H HB3 . GLU A 1 1 ? -6.618 14.835 8.901 1.00 0.00 ? 1 GLU A HB3 8 ATOM 3957 H HG2 . GLU A 1 1 ? -8.702 15.686 10.083 1.00 0.00 ? 1 GLU A HG2 8 ATOM 3958 H HG3 . GLU A 1 1 ? -8.958 14.047 10.803 1.00 0.00 ? 1 GLU A HG3 8 ATOM 3959 N N . ALA A 1 2 ? -7.769 15.348 6.481 1.00 0.00 ? 2 ALA A N 8 ATOM 3960 C CA . ALA A 1 2 ? -7.993 16.331 5.437 1.00 0.00 ? 2 ALA A CA 8 ATOM 3961 C C . ALA A 1 2 ? -7.676 15.671 4.103 1.00 0.00 ? 2 ALA A C 8 ATOM 3962 O O . ALA A 1 2 ? -7.833 14.462 3.922 1.00 0.00 ? 2 ALA A O 8 ATOM 3963 C CB . ALA A 1 2 ? -7.083 17.579 5.664 1.00 0.00 ? 2 ALA A CB 8 ATOM 3964 H H . ALA A 1 2 ? -6.807 15.204 6.689 1.00 0.00 ? 2 ALA A H 8 ATOM 3965 H HA . ALA A 1 2 ? -9.026 16.656 5.425 1.00 0.00 ? 2 ALA A HA 8 ATOM 3966 H HB1 . ALA A 1 2 ? -7.326 17.995 6.670 1.00 0.00 ? 2 ALA A HB1 8 ATOM 3967 H HB2 . ALA A 1 2 ? -5.995 17.313 5.660 1.00 0.00 ? 2 ALA A HB2 8 ATOM 3968 H HB3 . ALA A 1 2 ? -7.267 18.395 4.929 1.00 0.00 ? 2 ALA A HB3 8 ATOM 3969 N N . TYR A 1 3 ? -7.133 16.476 3.151 1.00 0.00 ? 3 TYR A N 8 ATOM 3970 C CA . TYR A 1 3 ? -6.586 16.068 1.866 1.00 0.00 ? 3 TYR A CA 8 ATOM 3971 C C . TYR A 1 3 ? -5.083 15.892 2.091 1.00 0.00 ? 3 TYR A C 8 ATOM 3972 O O . TYR A 1 3 ? -4.638 15.698 3.220 1.00 0.00 ? 3 TYR A O 8 ATOM 3973 C CB . TYR A 1 3 ? -6.945 17.162 0.791 1.00 0.00 ? 3 TYR A CB 8 ATOM 3974 C CG . TYR A 1 3 ? -6.552 16.862 -0.642 1.00 0.00 ? 3 TYR A CG 8 ATOM 3975 C CD1 . TYR A 1 3 ? -7.037 15.733 -1.329 1.00 0.00 ? 3 TYR A CD1 8 ATOM 3976 C CD2 . TYR A 1 3 ? -5.644 17.710 -1.307 1.00 0.00 ? 3 TYR A CD2 8 ATOM 3977 C CE1 . TYR A 1 3 ? -6.608 15.445 -2.637 1.00 0.00 ? 3 TYR A CE1 8 ATOM 3978 C CE2 . TYR A 1 3 ? -5.211 17.429 -2.608 1.00 0.00 ? 3 TYR A CE2 8 ATOM 3979 C CZ . TYR A 1 3 ? -5.686 16.293 -3.274 1.00 0.00 ? 3 TYR A CZ 8 ATOM 3980 O OH . TYR A 1 3 ? -5.200 16.024 -4.573 1.00 0.00 ? 3 TYR A OH 8 ATOM 3981 H H . TYR A 1 3 ? -7.005 17.436 3.369 1.00 0.00 ? 3 TYR A H 8 ATOM 3982 H HA . TYR A 1 3 ? -7.006 15.115 1.572 1.00 0.00 ? 3 TYR A HA 8 ATOM 3983 H HB2 . TYR A 1 3 ? -8.052 17.288 0.784 1.00 0.00 ? 3 TYR A HB2 8 ATOM 3984 H HB3 . TYR A 1 3 ? -6.513 18.145 1.080 1.00 0.00 ? 3 TYR A HB3 8 ATOM 3985 H HD1 . TYR A 1 3 ? -7.747 15.074 -0.849 1.00 0.00 ? 3 TYR A HD1 8 ATOM 3986 H HD2 . TYR A 1 3 ? -5.229 18.566 -0.801 1.00 0.00 ? 3 TYR A HD2 8 ATOM 3987 H HE1 . TYR A 1 3 ? -6.987 14.562 -3.136 1.00 0.00 ? 3 TYR A HE1 8 ATOM 3988 H HE2 . TYR A 1 3 ? -4.493 18.080 -3.090 1.00 0.00 ? 3 TYR A HE2 8 ATOM 3989 H HH . TYR A 1 3 ? -5.623 15.232 -4.913 1.00 0.00 ? 3 TYR A HH 8 ATOM 3990 N N . LYS A 1 4 ? -4.253 15.994 1.027 1.00 0.00 ? 4 LYS A N 8 ATOM 3991 C CA . LYS A 1 4 ? -2.807 15.970 1.101 1.00 0.00 ? 4 LYS A CA 8 ATOM 3992 C C . LYS A 1 4 ? -2.370 17.292 0.534 1.00 0.00 ? 4 LYS A C 8 ATOM 3993 O O . LYS A 1 4 ? -1.820 17.367 -0.559 1.00 0.00 ? 4 LYS A O 8 ATOM 3994 C CB . LYS A 1 4 ? -2.114 14.803 0.324 1.00 0.00 ? 4 LYS A CB 8 ATOM 3995 C CG . LYS A 1 4 ? -2.374 13.402 0.911 1.00 0.00 ? 4 LYS A CG 8 ATOM 3996 C CD . LYS A 1 4 ? -3.594 12.676 0.322 1.00 0.00 ? 4 LYS A CD 8 ATOM 3997 C CE . LYS A 1 4 ? -3.988 11.382 1.057 1.00 0.00 ? 4 LYS A CE 8 ATOM 3998 N NZ . LYS A 1 4 ? -2.820 10.490 1.272 1.00 0.00 ? 4 LYS A NZ 8 ATOM 3999 H H . LYS A 1 4 ? -4.617 16.167 0.115 1.00 0.00 ? 4 LYS A H 8 ATOM 4000 H HA . LYS A 1 4 ? -2.461 15.933 2.127 1.00 0.00 ? 4 LYS A HA 8 ATOM 4001 H HB2 . LYS A 1 4 ? -2.373 14.818 -0.758 1.00 0.00 ? 4 LYS A HB2 8 ATOM 4002 H HB3 . LYS A 1 4 ? -1.010 14.944 0.402 1.00 0.00 ? 4 LYS A HB3 8 ATOM 4003 H HG2 . LYS A 1 4 ? -1.465 12.800 0.688 1.00 0.00 ? 4 LYS A HG2 8 ATOM 4004 H HG3 . LYS A 1 4 ? -2.468 13.502 2.015 1.00 0.00 ? 4 LYS A HG3 8 ATOM 4005 H HD2 . LYS A 1 4 ? -4.473 13.357 0.363 1.00 0.00 ? 4 LYS A HD2 8 ATOM 4006 H HD3 . LYS A 1 4 ? -3.387 12.456 -0.750 1.00 0.00 ? 4 LYS A HD3 8 ATOM 4007 H HE2 . LYS A 1 4 ? -4.415 11.623 2.055 1.00 0.00 ? 4 LYS A HE2 8 ATOM 4008 H HE3 . LYS A 1 4 ? -4.745 10.826 0.461 1.00 0.00 ? 4 LYS A HE3 8 ATOM 4009 H HZ1 . LYS A 1 4 ? -2.340 10.322 0.365 1.00 0.00 ? 4 LYS A HZ1 8 ATOM 4010 H HZ2 . LYS A 1 4 ? -2.159 10.952 1.934 1.00 0.00 ? 4 LYS A HZ2 8 ATOM 4011 H HZ3 . LYS A 1 4 ? -3.135 9.575 1.663 1.00 0.00 ? 4 LYS A HZ3 8 ATOM 4012 N N . LYS A 1 5 ? -2.631 18.384 1.288 1.00 0.00 ? 5 LYS A N 8 ATOM 4013 C CA . LYS A 1 5 ? -2.042 19.682 1.030 1.00 0.00 ? 5 LYS A CA 8 ATOM 4014 C C . LYS A 1 5 ? -1.639 20.344 2.332 1.00 0.00 ? 5 LYS A C 8 ATOM 4015 O O . LYS A 1 5 ? -1.198 21.489 2.318 1.00 0.00 ? 5 LYS A O 8 ATOM 4016 C CB . LYS A 1 5 ? -2.969 20.638 0.212 1.00 0.00 ? 5 LYS A CB 8 ATOM 4017 C CG . LYS A 1 5 ? -4.341 21.005 0.836 1.00 0.00 ? 5 LYS A CG 8 ATOM 4018 C CD . LYS A 1 5 ? -4.976 22.277 0.230 1.00 0.00 ? 5 LYS A CD 8 ATOM 4019 C CE . LYS A 1 5 ? -5.235 22.279 -1.290 1.00 0.00 ? 5 LYS A CE 8 ATOM 4020 N NZ . LYS A 1 5 ? -6.355 21.383 -1.667 1.00 0.00 ? 5 LYS A NZ 8 ATOM 4021 H H . LYS A 1 5 ? -3.227 18.316 2.079 1.00 0.00 ? 5 LYS A H 8 ATOM 4022 H HA . LYS A 1 5 ? -1.124 19.560 0.466 1.00 0.00 ? 5 LYS A HA 8 ATOM 4023 H HB2 . LYS A 1 5 ? -2.413 21.583 0.013 1.00 0.00 ? 5 LYS A HB2 8 ATOM 4024 H HB3 . LYS A 1 5 ? -3.143 20.162 -0.778 1.00 0.00 ? 5 LYS A HB3 8 ATOM 4025 H HG2 . LYS A 1 5 ? -5.024 20.131 0.798 1.00 0.00 ? 5 LYS A HG2 8 ATOM 4026 H HG3 . LYS A 1 5 ? -4.199 21.256 1.911 1.00 0.00 ? 5 LYS A HG3 8 ATOM 4027 H HD2 . LYS A 1 5 ? -5.913 22.517 0.782 1.00 0.00 ? 5 LYS A HD2 8 ATOM 4028 H HD3 . LYS A 1 5 ? -4.264 23.108 0.432 1.00 0.00 ? 5 LYS A HD3 8 ATOM 4029 H HE2 . LYS A 1 5 ? -5.523 23.305 -1.608 1.00 0.00 ? 5 LYS A HE2 8 ATOM 4030 H HE3 . LYS A 1 5 ? -4.333 21.979 -1.867 1.00 0.00 ? 5 LYS A HE3 8 ATOM 4031 H HZ1 . LYS A 1 5 ? -7.211 21.661 -1.140 1.00 0.00 ? 5 LYS A HZ1 8 ATOM 4032 H HZ2 . LYS A 1 5 ? -6.535 21.474 -2.689 1.00 0.00 ? 5 LYS A HZ2 8 ATOM 4033 H HZ3 . LYS A 1 5 ? -6.119 20.395 -1.458 1.00 0.00 ? 5 LYS A HZ3 8 ATOM 4034 N N . ALA A 1 6 ? -1.825 19.682 3.514 1.00 0.00 ? 6 ALA A N 8 ATOM 4035 C CA . ALA A 1 6 ? -1.524 20.290 4.806 1.00 0.00 ? 6 ALA A CA 8 ATOM 4036 C C . ALA A 1 6 ? -0.092 19.999 5.233 1.00 0.00 ? 6 ALA A C 8 ATOM 4037 O O . ALA A 1 6 ? 0.636 19.266 4.572 1.00 0.00 ? 6 ALA A O 8 ATOM 4038 C CB . ALA A 1 6 ? -2.518 19.813 5.892 1.00 0.00 ? 6 ALA A CB 8 ATOM 4039 H H . ALA A 1 6 ? -2.073 18.721 3.555 1.00 0.00 ? 6 ALA A H 8 ATOM 4040 H HA . ALA A 1 6 ? -1.629 21.369 4.743 1.00 0.00 ? 6 ALA A HA 8 ATOM 4041 H HB1 . ALA A 1 6 ? -3.554 20.057 5.576 1.00 0.00 ? 6 ALA A HB1 8 ATOM 4042 H HB2 . ALA A 1 6 ? -2.473 18.713 6.038 1.00 0.00 ? 6 ALA A HB2 8 ATOM 4043 H HB3 . ALA A 1 6 ? -2.365 20.303 6.880 1.00 0.00 ? 6 ALA A HB3 8 ATOM 4044 N N . LYS A 1 7 ? 0.331 20.549 6.405 1.00 0.00 ? 7 LYS A N 8 ATOM 4045 C CA . LYS A 1 7 ? 1.641 20.358 7.034 1.00 0.00 ? 7 LYS A CA 8 ATOM 4046 C C . LYS A 1 7 ? 1.631 19.137 7.925 1.00 0.00 ? 7 LYS A C 8 ATOM 4047 O O . LYS A 1 7 ? 2.666 18.596 8.309 1.00 0.00 ? 7 LYS A O 8 ATOM 4048 C CB . LYS A 1 7 ? 2.013 21.587 7.925 1.00 0.00 ? 7 LYS A CB 8 ATOM 4049 C CG . LYS A 1 7 ? 2.607 22.756 7.126 1.00 0.00 ? 7 LYS A CG 8 ATOM 4050 C CD . LYS A 1 7 ? 4.135 22.894 7.280 1.00 0.00 ? 7 LYS A CD 8 ATOM 4051 C CE . LYS A 1 7 ? 4.954 21.633 6.924 1.00 0.00 ? 7 LYS A CE 8 ATOM 4052 N NZ . LYS A 1 7 ? 6.411 21.857 7.140 1.00 0.00 ? 7 LYS A NZ 8 ATOM 4053 H H . LYS A 1 7 ? -0.252 21.202 6.879 1.00 0.00 ? 7 LYS A H 8 ATOM 4054 H HA . LYS A 1 7 ? 2.397 20.209 6.271 1.00 0.00 ? 7 LYS A HA 8 ATOM 4055 H HB2 . LYS A 1 7 ? 1.088 21.942 8.431 1.00 0.00 ? 7 LYS A HB2 8 ATOM 4056 H HB3 . LYS A 1 7 ? 2.741 21.353 8.737 1.00 0.00 ? 7 LYS A HB3 8 ATOM 4057 H HG2 . LYS A 1 7 ? 2.318 22.664 6.055 1.00 0.00 ? 7 LYS A HG2 8 ATOM 4058 H HG3 . LYS A 1 7 ? 2.159 23.698 7.513 1.00 0.00 ? 7 LYS A HG3 8 ATOM 4059 H HD2 . LYS A 1 7 ? 4.442 23.753 6.647 1.00 0.00 ? 7 LYS A HD2 8 ATOM 4060 H HD3 . LYS A 1 7 ? 4.309 23.159 8.346 1.00 0.00 ? 7 LYS A HD3 8 ATOM 4061 H HE2 . LYS A 1 7 ? 4.657 20.779 7.572 1.00 0.00 ? 7 LYS A HE2 8 ATOM 4062 H HE3 . LYS A 1 7 ? 4.799 21.345 5.861 1.00 0.00 ? 7 LYS A HE3 8 ATOM 4063 H HZ1 . LYS A 1 7 ? 6.572 22.202 8.109 1.00 0.00 ? 7 LYS A HZ1 8 ATOM 4064 H HZ2 . LYS A 1 7 ? 6.936 20.964 7.021 1.00 0.00 ? 7 LYS A HZ2 8 ATOM 4065 H HZ3 . LYS A 1 7 ? 6.764 22.554 6.452 1.00 0.00 ? 7 LYS A HZ3 8 ATOM 4066 N N . GLN A 1 8 ? 0.407 18.697 8.258 1.00 0.00 ? 8 GLN A N 8 ATOM 4067 C CA . GLN A 1 8 ? 0.078 17.524 9.011 1.00 0.00 ? 8 GLN A CA 8 ATOM 4068 C C . GLN A 1 8 ? -0.651 16.646 8.025 1.00 0.00 ? 8 GLN A C 8 ATOM 4069 O O . GLN A 1 8 ? -1.743 16.979 7.562 1.00 0.00 ? 8 GLN A O 8 ATOM 4070 C CB . GLN A 1 8 ? -0.821 17.858 10.223 1.00 0.00 ? 8 GLN A CB 8 ATOM 4071 C CG . GLN A 1 8 ? -1.848 18.990 9.930 1.00 0.00 ? 8 GLN A CG 8 ATOM 4072 C CD . GLN A 1 8 ? -3.121 18.846 10.750 1.00 0.00 ? 8 GLN A CD 8 ATOM 4073 O OE1 . GLN A 1 8 ? -3.583 19.854 11.274 1.00 0.00 ? 8 GLN A OE1 8 ATOM 4074 N NE2 . GLN A 1 8 ? -3.723 17.630 10.810 1.00 0.00 ? 8 GLN A NE2 8 ATOM 4075 H H . GLN A 1 8 ? -0.384 19.164 7.873 1.00 0.00 ? 8 GLN A H 8 ATOM 4076 H HA . GLN A 1 8 ? 0.966 17.017 9.363 1.00 0.00 ? 8 GLN A HA 8 ATOM 4077 H HB2 . GLN A 1 8 ? -1.283 16.930 10.629 1.00 0.00 ? 8 GLN A HB2 8 ATOM 4078 H HB3 . GLN A 1 8 ? -0.142 18.226 11.020 1.00 0.00 ? 8 GLN A HB3 8 ATOM 4079 H HG2 . GLN A 1 8 ? -1.389 19.982 10.138 1.00 0.00 ? 8 GLN A HG2 8 ATOM 4080 H HG3 . GLN A 1 8 ? -2.196 18.987 8.876 1.00 0.00 ? 8 GLN A HG3 8 ATOM 4081 H HE21 . GLN A 1 8 ? -3.316 16.857 10.326 1.00 0.00 ? 8 GLN A HE21 8 ATOM 4082 H HE22 . GLN A 1 8 ? -4.598 17.501 11.297 1.00 0.00 ? 8 GLN A HE22 8 ATOM 4083 N N . ALA A 1 9 ? -0.037 15.488 7.672 1.00 0.00 ? 9 ALA A N 8 ATOM 4084 C CA . ALA A 1 9 ? -0.661 14.463 6.870 1.00 0.00 ? 9 ALA A CA 8 ATOM 4085 C C . ALA A 1 9 ? -1.158 13.323 7.738 1.00 0.00 ? 9 ALA A C 8 ATOM 4086 O O . ALA A 1 9 ? -2.098 12.644 7.333 1.00 0.00 ? 9 ALA A O 8 ATOM 4087 C CB . ALA A 1 9 ? 0.238 13.977 5.710 1.00 0.00 ? 9 ALA A CB 8 ATOM 4088 H H . ALA A 1 9 ? 0.864 15.239 8.037 1.00 0.00 ? 9 ALA A H 8 ATOM 4089 H HA . ALA A 1 9 ? -1.543 14.864 6.378 1.00 0.00 ? 9 ALA A HA 8 ATOM 4090 H HB1 . ALA A 1 9 ? 0.483 14.844 5.056 1.00 0.00 ? 9 ALA A HB1 8 ATOM 4091 H HB2 . ALA A 1 9 ? 1.198 13.559 6.085 1.00 0.00 ? 9 ALA A HB2 8 ATOM 4092 H HB3 . ALA A 1 9 ? -0.268 13.210 5.078 1.00 0.00 ? 9 ALA A HB3 8 ATOM 4093 N N . SER A 1 10 ? -0.596 13.061 8.951 1.00 0.00 ? 10 SER A N 8 ATOM 4094 C CA . SER A 1 10 ? -1.080 12.038 9.852 1.00 0.00 ? 10 SER A CA 8 ATOM 4095 C C . SER A 1 10 ? -0.195 12.256 11.035 1.00 0.00 ? 10 SER A C 8 ATOM 4096 O O . SER A 1 10 ? 0.567 13.231 11.036 1.00 0.00 ? 10 SER A O 8 ATOM 4097 C CB . SER A 1 10 ? -0.935 10.566 9.336 1.00 0.00 ? 10 SER A CB 8 ATOM 4098 O OG . SER A 1 10 ? -1.949 10.299 8.372 1.00 0.00 ? 10 SER A OG 8 ATOM 4099 H H . SER A 1 10 ? 0.127 13.601 9.395 1.00 0.00 ? 10 SER A H 8 ATOM 4100 H HA . SER A 1 10 ? -2.094 12.266 10.151 1.00 0.00 ? 10 SER A HA 8 ATOM 4101 H HB2 . SER A 1 10 ? 0.069 10.439 8.876 1.00 0.00 ? 10 SER A HB2 8 ATOM 4102 H HB3 . SER A 1 10 ? -1.056 9.786 10.121 1.00 0.00 ? 10 SER A HB3 8 ATOM 4103 H HG . SER A 1 10 ? -2.159 11.166 7.959 1.00 0.00 ? 10 SER A HG 8 ATOM 4104 N N . GLN A 1 11 ? -0.230 11.310 12.030 1.00 0.00 ? 11 GLN A N 8 ATOM 4105 C CA . GLN A 1 11 ? 0.468 11.336 13.320 1.00 0.00 ? 11 GLN A CA 8 ATOM 4106 C C . GLN A 1 11 ? 1.973 11.486 13.219 1.00 0.00 ? 11 GLN A C 8 ATOM 4107 O O . GLN A 1 11 ? 2.593 12.197 13.997 1.00 0.00 ? 11 GLN A O 8 ATOM 4108 C CB . GLN A 1 11 ? 0.135 10.105 14.215 1.00 0.00 ? 11 GLN A CB 8 ATOM 4109 C CG . GLN A 1 11 ? 0.655 8.719 13.730 1.00 0.00 ? 11 GLN A CG 8 ATOM 4110 C CD . GLN A 1 11 ? 0.217 7.619 14.697 1.00 0.00 ? 11 GLN A CD 8 ATOM 4111 O OE1 . GLN A 1 11 ? -0.381 6.610 14.344 1.00 0.00 ? 11 GLN A OE1 8 ATOM 4112 N NE2 . GLN A 1 11 ? 0.512 7.803 16.004 1.00 0.00 ? 11 GLN A NE2 8 ATOM 4113 H H . GLN A 1 11 ? -0.890 10.564 11.958 1.00 0.00 ? 11 GLN A H 8 ATOM 4114 H HA . GLN A 1 11 ? 0.101 12.210 13.842 1.00 0.00 ? 11 GLN A HA 8 ATOM 4115 H HB2 . GLN A 1 11 ? 0.523 10.312 15.239 1.00 0.00 ? 11 GLN A HB2 8 ATOM 4116 H HB3 . GLN A 1 11 ? -0.973 10.027 14.300 1.00 0.00 ? 11 GLN A HB3 8 ATOM 4117 H HG2 . GLN A 1 11 ? 0.251 8.472 12.726 1.00 0.00 ? 11 GLN A HG2 8 ATOM 4118 H HG3 . GLN A 1 11 ? 1.763 8.663 13.663 1.00 0.00 ? 11 GLN A HG3 8 ATOM 4119 H HE21 . GLN A 1 11 ? 0.972 8.634 16.308 1.00 0.00 ? 11 GLN A HE21 8 ATOM 4120 H HE22 . GLN A 1 11 ? 0.257 7.091 16.658 1.00 0.00 ? 11 GLN A HE22 8 ATOM 4121 N N . ASP A 1 12 ? 2.550 10.904 12.135 1.00 0.00 ? 12 ASP A N 8 ATOM 4122 C CA . ASP A 1 12 ? 3.937 10.925 11.692 1.00 0.00 ? 12 ASP A CA 8 ATOM 4123 C C . ASP A 1 12 ? 4.393 12.240 11.124 1.00 0.00 ? 12 ASP A C 8 ATOM 4124 O O . ASP A 1 12 ? 5.584 12.441 10.906 1.00 0.00 ? 12 ASP A O 8 ATOM 4125 C CB . ASP A 1 12 ? 4.137 9.890 10.556 1.00 0.00 ? 12 ASP A CB 8 ATOM 4126 C CG . ASP A 1 12 ? 4.035 8.527 11.208 1.00 0.00 ? 12 ASP A CG 8 ATOM 4127 O OD1 . ASP A 1 12 ? 5.004 8.145 11.911 1.00 0.00 ? 12 ASP A OD1 8 ATOM 4128 O OD2 . ASP A 1 12 ? 2.944 7.914 11.077 1.00 0.00 ? 12 ASP A OD2 8 ATOM 4129 H H . ASP A 1 12 ? 1.996 10.279 11.592 1.00 0.00 ? 12 ASP A H 8 ATOM 4130 H HA . ASP A 1 12 ? 4.579 10.689 12.536 1.00 0.00 ? 12 ASP A HA 8 ATOM 4131 H HB2 . ASP A 1 12 ? 3.339 10.010 9.786 1.00 0.00 ? 12 ASP A HB2 8 ATOM 4132 H HB3 . ASP A 1 12 ? 5.121 9.961 10.045 1.00 0.00 ? 12 ASP A HB3 8 ATOM 4133 N N . ALA A 1 13 ? 3.447 13.180 10.889 1.00 0.00 ? 13 ALA A N 8 ATOM 4134 C CA . ALA A 1 13 ? 3.739 14.523 10.419 1.00 0.00 ? 13 ALA A CA 8 ATOM 4135 C C . ALA A 1 13 ? 3.625 15.465 11.583 1.00 0.00 ? 13 ALA A C 8 ATOM 4136 O O . ALA A 1 13 ? 4.278 16.502 11.611 1.00 0.00 ? 13 ALA A O 8 ATOM 4137 C CB . ALA A 1 13 ? 2.770 14.993 9.308 1.00 0.00 ? 13 ALA A CB 8 ATOM 4138 H H . ALA A 1 13 ? 2.477 12.971 11.067 1.00 0.00 ? 13 ALA A H 8 ATOM 4139 H HA . ALA A 1 13 ? 4.749 14.591 10.032 1.00 0.00 ? 13 ALA A HA 8 ATOM 4140 H HB1 . ALA A 1 13 ? 2.846 14.287 8.452 1.00 0.00 ? 13 ALA A HB1 8 ATOM 4141 H HB2 . ALA A 1 13 ? 1.719 14.990 9.673 1.00 0.00 ? 13 ALA A HB2 8 ATOM 4142 H HB3 . ALA A 1 13 ? 3.028 16.014 8.933 1.00 0.00 ? 13 ALA A HB3 8 ATOM 4143 N N . GLU A 1 14 ? 2.784 15.104 12.588 1.00 0.00 ? 14 GLU A N 8 ATOM 4144 C CA . GLU A 1 14 ? 2.425 15.912 13.735 1.00 0.00 ? 14 GLU A CA 8 ATOM 4145 C C . GLU A 1 14 ? 3.438 15.697 14.851 1.00 0.00 ? 14 GLU A C 8 ATOM 4146 O O . GLU A 1 14 ? 3.755 16.602 15.616 1.00 0.00 ? 14 GLU A O 8 ATOM 4147 C CB . GLU A 1 14 ? 0.983 15.565 14.204 1.00 0.00 ? 14 GLU A CB 8 ATOM 4148 C CG . GLU A 1 14 ? 0.265 16.755 14.867 1.00 0.00 ? 14 GLU A CG 8 ATOM 4149 C CD . GLU A 1 14 ? -0.851 16.261 15.778 1.00 0.00 ? 14 GLU A CD 8 ATOM 4150 O OE1 . GLU A 1 14 ? -0.457 15.706 16.840 1.00 0.00 ? 14 GLU A OE1 8 ATOM 4151 O OE2 . GLU A 1 14 ? -2.053 16.472 15.490 1.00 0.00 ? 14 GLU A OE2 8 ATOM 4152 H H . GLU A 1 14 ? 2.330 14.217 12.538 1.00 0.00 ? 14 GLU A H 8 ATOM 4153 H HA . GLU A 1 14 ? 2.447 16.957 13.449 1.00 0.00 ? 14 GLU A HA 8 ATOM 4154 H HB2 . GLU A 1 14 ? 0.366 15.321 13.310 1.00 0.00 ? 14 GLU A HB2 8 ATOM 4155 H HB3 . GLU A 1 14 ? 0.962 14.650 14.846 1.00 0.00 ? 14 GLU A HB3 8 ATOM 4156 H HG2 . GLU A 1 14 ? 0.976 17.344 15.483 1.00 0.00 ? 14 GLU A HG2 8 ATOM 4157 H HG3 . GLU A 1 14 ? -0.160 17.432 14.095 1.00 0.00 ? 14 GLU A HG3 8 ATOM 4158 N N . GLN A 1 15 ? 4.011 14.459 14.891 1.00 0.00 ? 15 GLN A N 8 ATOM 4159 C CA . GLN A 1 15 ? 5.024 13.920 15.788 1.00 0.00 ? 15 GLN A CA 8 ATOM 4160 C C . GLN A 1 15 ? 6.414 14.305 15.323 1.00 0.00 ? 15 GLN A C 8 ATOM 4161 O O . GLN A 1 15 ? 7.336 14.458 16.118 1.00 0.00 ? 15 GLN A O 8 ATOM 4162 C CB . GLN A 1 15 ? 4.951 12.362 15.870 1.00 0.00 ? 15 GLN A CB 8 ATOM 4163 C CG . GLN A 1 15 ? 5.818 11.668 16.944 1.00 0.00 ? 15 GLN A CG 8 ATOM 4164 C CD . GLN A 1 15 ? 5.307 12.033 18.330 1.00 0.00 ? 15 GLN A CD 8 ATOM 4165 O OE1 . GLN A 1 15 ? 4.097 12.080 18.544 1.00 0.00 ? 15 GLN A OE1 8 ATOM 4166 N NE2 . GLN A 1 15 ? 6.212 12.316 19.296 1.00 0.00 ? 15 GLN A NE2 8 ATOM 4167 H H . GLN A 1 15 ? 3.635 13.766 14.269 1.00 0.00 ? 15 GLN A H 8 ATOM 4168 H HA . GLN A 1 15 ? 4.858 14.331 16.773 1.00 0.00 ? 15 GLN A HA 8 ATOM 4169 H HB2 . GLN A 1 15 ? 3.893 12.078 16.071 1.00 0.00 ? 15 GLN A HB2 8 ATOM 4170 H HB3 . GLN A 1 15 ? 5.209 11.896 14.891 1.00 0.00 ? 15 GLN A HB3 8 ATOM 4171 H HG2 . GLN A 1 15 ? 5.714 10.572 16.824 1.00 0.00 ? 15 GLN A HG2 8 ATOM 4172 H HG3 . GLN A 1 15 ? 6.890 11.939 16.828 1.00 0.00 ? 15 GLN A HG3 8 ATOM 4173 H HE21 . GLN A 1 15 ? 7.193 12.312 19.097 1.00 0.00 ? 15 GLN A HE21 8 ATOM 4174 H HE22 . GLN A 1 15 ? 5.898 12.472 20.232 1.00 0.00 ? 15 GLN A HE22 8 ATOM 4175 N N . ALA A 1 16 ? 6.586 14.522 13.997 1.00 0.00 ? 16 ALA A N 8 ATOM 4176 C CA . ALA A 1 16 ? 7.811 15.015 13.381 1.00 0.00 ? 16 ALA A CA 8 ATOM 4177 C C . ALA A 1 16 ? 7.848 16.535 13.267 1.00 0.00 ? 16 ALA A C 8 ATOM 4178 O O . ALA A 1 16 ? 8.823 17.108 12.785 1.00 0.00 ? 16 ALA A O 8 ATOM 4179 C CB . ALA A 1 16 ? 8.000 14.360 11.994 1.00 0.00 ? 16 ALA A CB 8 ATOM 4180 H H . ALA A 1 16 ? 5.827 14.364 13.371 1.00 0.00 ? 16 ALA A H 8 ATOM 4181 H HA . ALA A 1 16 ? 8.667 14.748 14.006 1.00 0.00 ? 16 ALA A HA 8 ATOM 4182 H HB1 . ALA A 1 16 ? 8.012 13.253 12.108 1.00 0.00 ? 16 ALA A HB1 8 ATOM 4183 H HB2 . ALA A 1 16 ? 7.166 14.612 11.301 1.00 0.00 ? 16 ALA A HB2 8 ATOM 4184 H HB3 . ALA A 1 16 ? 8.953 14.663 11.509 1.00 0.00 ? 16 ALA A HB3 8 ATOM 4185 N N . ALA A 1 17 ? 6.761 17.233 13.706 1.00 0.00 ? 17 ALA A N 8 ATOM 4186 C CA . ALA A 1 17 ? 6.712 18.666 13.981 1.00 0.00 ? 17 ALA A CA 8 ATOM 4187 C C . ALA A 1 17 ? 7.059 18.968 15.433 1.00 0.00 ? 17 ALA A C 8 ATOM 4188 O O . ALA A 1 17 ? 7.440 20.081 15.797 1.00 0.00 ? 17 ALA A O 8 ATOM 4189 C CB . ALA A 1 17 ? 5.296 19.243 13.703 1.00 0.00 ? 17 ALA A CB 8 ATOM 4190 H H . ALA A 1 17 ? 5.912 16.743 13.899 1.00 0.00 ? 17 ALA A H 8 ATOM 4191 H HA . ALA A 1 17 ? 7.422 19.178 13.344 1.00 0.00 ? 17 ALA A HA 8 ATOM 4192 H HB1 . ALA A 1 17 ? 5.015 19.031 12.649 1.00 0.00 ? 17 ALA A HB1 8 ATOM 4193 H HB2 . ALA A 1 17 ? 4.510 18.779 14.345 1.00 0.00 ? 17 ALA A HB2 8 ATOM 4194 H HB3 . ALA A 1 17 ? 5.264 20.346 13.848 1.00 0.00 ? 17 ALA A HB3 8 ATOM 4195 N N . LYS A 1 18 ? 6.886 17.954 16.328 1.00 0.00 ? 18 LYS A N 8 ATOM 4196 C CA . LYS A 1 18 ? 6.653 18.089 17.767 1.00 0.00 ? 18 LYS A CA 8 ATOM 4197 C C . LYS A 1 18 ? 7.959 18.173 18.524 1.00 0.00 ? 18 LYS A C 8 ATOM 4198 O O . LYS A 1 18 ? 8.044 18.691 19.636 1.00 0.00 ? 18 LYS A O 8 ATOM 4199 C CB . LYS A 1 18 ? 5.752 16.921 18.277 1.00 0.00 ? 18 LYS A CB 8 ATOM 4200 C CG . LYS A 1 18 ? 4.323 17.356 18.653 1.00 0.00 ? 18 LYS A CG 8 ATOM 4201 C CD . LYS A 1 18 ? 3.339 16.172 18.820 1.00 0.00 ? 18 LYS A CD 8 ATOM 4202 C CE . LYS A 1 18 ? 1.928 16.540 19.330 1.00 0.00 ? 18 LYS A CE 8 ATOM 4203 N NZ . LYS A 1 18 ? 1.060 17.171 18.295 1.00 0.00 ? 18 LYS A NZ 8 ATOM 4204 H H . LYS A 1 18 ? 6.739 17.027 15.993 1.00 0.00 ? 18 LYS A H 8 ATOM 4205 H HA . LYS A 1 18 ? 6.118 19.011 17.948 1.00 0.00 ? 18 LYS A HA 8 ATOM 4206 H HB2 . LYS A 1 18 ? 5.628 16.230 17.424 1.00 0.00 ? 18 LYS A HB2 8 ATOM 4207 H HB3 . LYS A 1 18 ? 6.185 16.308 19.099 1.00 0.00 ? 18 LYS A HB3 8 ATOM 4208 H HG2 . LYS A 1 18 ? 4.381 17.952 19.590 1.00 0.00 ? 18 LYS A HG2 8 ATOM 4209 H HG3 . LYS A 1 18 ? 3.966 18.025 17.840 1.00 0.00 ? 18 LYS A HG3 8 ATOM 4210 H HD2 . LYS A 1 18 ? 3.256 15.604 17.870 1.00 0.00 ? 18 LYS A HD2 8 ATOM 4211 H HD3 . LYS A 1 18 ? 3.775 15.481 19.573 1.00 0.00 ? 18 LYS A HD3 8 ATOM 4212 H HE2 . LYS A 1 18 ? 1.394 15.627 19.672 1.00 0.00 ? 18 LYS A HE2 8 ATOM 4213 H HE3 . LYS A 1 18 ? 2.017 17.250 20.180 1.00 0.00 ? 18 LYS A HE3 8 ATOM 4214 H HZ1 . LYS A 1 18 ? 1.648 17.793 17.707 1.00 0.00 ? 18 LYS A HZ1 8 ATOM 4215 H HZ2 . LYS A 1 18 ? 0.550 16.445 17.666 1.00 0.00 ? 18 LYS A HZ2 8 ATOM 4216 H HZ3 . LYS A 1 18 ? 0.311 17.733 18.749 1.00 0.00 ? 18 LYS A HZ3 8 ATOM 4217 N N . ASP A 1 19 ? 9.026 17.682 17.878 1.00 0.00 ? 19 ASP A N 8 ATOM 4218 C CA . ASP A 1 19 ? 10.422 17.790 18.275 1.00 0.00 ? 19 ASP A CA 8 ATOM 4219 C C . ASP A 1 19 ? 11.132 19.006 17.697 1.00 0.00 ? 19 ASP A C 8 ATOM 4220 O O . ASP A 1 19 ? 12.249 19.335 18.091 1.00 0.00 ? 19 ASP A O 8 ATOM 4221 C CB . ASP A 1 19 ? 11.167 16.444 17.990 1.00 0.00 ? 19 ASP A CB 8 ATOM 4222 C CG . ASP A 1 19 ? 11.132 15.540 19.239 1.00 0.00 ? 19 ASP A CG 8 ATOM 4223 O OD1 . ASP A 1 19 ? 10.769 16.011 20.349 1.00 0.00 ? 19 ASP A OD1 8 ATOM 4224 O OD2 . ASP A 1 19 ? 11.513 14.354 19.095 1.00 0.00 ? 19 ASP A OD2 8 ATOM 4225 H H . ASP A 1 19 ? 8.842 17.209 17.029 1.00 0.00 ? 19 ASP A H 8 ATOM 4226 H HA . ASP A 1 19 ? 10.460 17.997 19.336 1.00 0.00 ? 19 ASP A HA 8 ATOM 4227 H HB2 . ASP A 1 19 ? 10.681 15.914 17.139 1.00 0.00 ? 19 ASP A HB2 8 ATOM 4228 H HB3 . ASP A 1 19 ? 12.239 16.563 17.721 1.00 0.00 ? 19 ASP A HB3 8 ATOM 4229 N N . ALA A 1 20 ? 10.473 19.739 16.754 1.00 0.00 ? 20 ALA A N 8 ATOM 4230 C CA . ALA A 1 20 ? 10.973 20.965 16.133 1.00 0.00 ? 20 ALA A CA 8 ATOM 4231 C C . ALA A 1 20 ? 10.541 22.192 16.905 1.00 0.00 ? 20 ALA A C 8 ATOM 4232 O O . ALA A 1 20 ? 11.242 23.205 16.922 1.00 0.00 ? 20 ALA A O 8 ATOM 4233 C CB . ALA A 1 20 ? 10.532 21.117 14.655 1.00 0.00 ? 20 ALA A CB 8 ATOM 4234 H H . ALA A 1 20 ? 9.552 19.469 16.478 1.00 0.00 ? 20 ALA A H 8 ATOM 4235 H HA . ALA A 1 20 ? 12.057 20.952 16.146 1.00 0.00 ? 20 ALA A HA 8 ATOM 4236 H HB1 . ALA A 1 20 ? 10.916 20.244 14.085 1.00 0.00 ? 20 ALA A HB1 8 ATOM 4237 H HB2 . ALA A 1 20 ? 9.424 21.137 14.537 1.00 0.00 ? 20 ALA A HB2 8 ATOM 4238 H HB3 . ALA A 1 20 ? 10.953 22.036 14.185 1.00 0.00 ? 20 ALA A HB3 8 ATOM 4239 N N . GLU A 1 21 ? 9.370 22.089 17.605 1.00 0.00 ? 21 GLU A N 8 ATOM 4240 C CA . GLU A 1 21 ? 8.854 23.094 18.529 1.00 0.00 ? 21 GLU A CA 8 ATOM 4241 C C . GLU A 1 21 ? 9.506 22.915 19.879 1.00 0.00 ? 21 GLU A C 8 ATOM 4242 O O . GLU A 1 21 ? 9.865 23.876 20.544 1.00 0.00 ? 21 GLU A O 8 ATOM 4243 C CB . GLU A 1 21 ? 7.304 23.055 18.716 1.00 0.00 ? 21 GLU A CB 8 ATOM 4244 C CG . GLU A 1 21 ? 6.731 21.630 18.918 1.00 0.00 ? 21 GLU A CG 8 ATOM 4245 C CD . GLU A 1 21 ? 5.700 21.534 20.029 1.00 0.00 ? 21 GLU A CD 8 ATOM 4246 O OE1 . GLU A 1 21 ? 5.857 22.216 21.064 1.00 0.00 ? 21 GLU A OE1 8 ATOM 4247 O OE2 . GLU A 1 21 ? 4.716 20.764 19.875 1.00 0.00 ? 21 GLU A OE2 8 ATOM 4248 H H . GLU A 1 21 ? 8.802 21.271 17.530 1.00 0.00 ? 21 GLU A H 8 ATOM 4249 H HA . GLU A 1 21 ? 9.115 24.086 18.174 1.00 0.00 ? 21 GLU A HA 8 ATOM 4250 H HB2 . GLU A 1 21 ? 6.979 23.749 19.531 1.00 0.00 ? 21 GLU A HB2 8 ATOM 4251 H HB3 . GLU A 1 21 ? 6.838 23.451 17.791 1.00 0.00 ? 21 GLU A HB3 8 ATOM 4252 H HG2 . GLU A 1 21 ? 6.300 21.248 17.967 1.00 0.00 ? 21 GLU A HG2 8 ATOM 4253 H HG3 . GLU A 1 21 ? 7.527 20.940 19.243 1.00 0.00 ? 21 GLU A HG3 8 ATOM 4254 N N . ASN A 1 22 ? 9.783 21.644 20.290 1.00 0.00 ? 22 ASN A N 8 ATOM 4255 C CA . ASN A 1 22 ? 10.391 21.290 21.570 1.00 0.00 ? 22 ASN A CA 8 ATOM 4256 C C . ASN A 1 22 ? 11.900 21.492 21.627 1.00 0.00 ? 22 ASN A C 8 ATOM 4257 O O . ASN A 1 22 ? 12.534 21.090 22.593 1.00 0.00 ? 22 ASN A O 8 ATOM 4258 C CB . ASN A 1 22 ? 10.022 19.854 22.072 1.00 0.00 ? 22 ASN A CB 8 ATOM 4259 C CG . ASN A 1 22 ? 8.637 19.857 22.748 1.00 0.00 ? 22 ASN A CG 8 ATOM 4260 O OD1 . ASN A 1 22 ? 8.371 20.596 23.697 1.00 0.00 ? 22 ASN A OD1 8 ATOM 4261 N ND2 . ASN A 1 22 ? 7.703 19.003 22.278 1.00 0.00 ? 22 ASN A ND2 8 ATOM 4262 H H . ASN A 1 22 ? 9.474 20.865 19.749 1.00 0.00 ? 22 ASN A H 8 ATOM 4263 H HA . ASN A 1 22 ? 10.009 21.974 22.306 1.00 0.00 ? 22 ASN A HA 8 ATOM 4264 H HB2 . ASN A 1 22 ? 10.075 19.124 21.235 1.00 0.00 ? 22 ASN A HB2 8 ATOM 4265 H HB3 . ASN A 1 22 ? 10.710 19.485 22.865 1.00 0.00 ? 22 ASN A HB3 8 ATOM 4266 H HD21 . ASN A 1 22 ? 7.813 18.668 21.327 1.00 0.00 ? 22 ASN A HD21 8 ATOM 4267 H HD22 . ASN A 1 22 ? 6.853 18.852 22.775 1.00 0.00 ? 22 ASN A HD22 8 ATOM 4268 N N . ALA A 1 23 ? 12.489 22.216 20.633 1.00 0.00 ? 23 ALA A N 8 ATOM 4269 C CA . ALA A 1 23 ? 13.861 22.716 20.641 1.00 0.00 ? 23 ALA A CA 8 ATOM 4270 C C . ALA A 1 23 ? 13.964 24.094 21.286 1.00 0.00 ? 23 ALA A C 8 ATOM 4271 O O . ALA A 1 23 ? 15.002 24.448 21.839 1.00 0.00 ? 23 ALA A O 8 ATOM 4272 C CB . ALA A 1 23 ? 14.487 22.802 19.213 1.00 0.00 ? 23 ALA A CB 8 ATOM 4273 H H . ALA A 1 23 ? 11.933 22.452 19.837 1.00 0.00 ? 23 ALA A H 8 ATOM 4274 H HA . ALA A 1 23 ? 14.481 22.045 21.226 1.00 0.00 ? 23 ALA A HA 8 ATOM 4275 H HB1 . ALA A 1 23 ? 13.893 23.460 18.538 1.00 0.00 ? 23 ALA A HB1 8 ATOM 4276 H HB2 . ALA A 1 23 ? 15.542 23.167 19.233 1.00 0.00 ? 23 ALA A HB2 8 ATOM 4277 H HB3 . ALA A 1 23 ? 14.498 21.789 18.754 1.00 0.00 ? 23 ALA A HB3 8 ATOM 4278 N N . SER A 1 24 ? 12.879 24.928 21.248 1.00 0.00 ? 24 SER A N 8 ATOM 4279 C CA . SER A 1 24 ? 12.830 26.272 21.831 1.00 0.00 ? 24 SER A CA 8 ATOM 4280 C C . SER A 1 24 ? 12.340 26.203 23.256 1.00 0.00 ? 24 SER A C 8 ATOM 4281 O O . SER A 1 24 ? 12.799 26.901 24.164 1.00 0.00 ? 24 SER A O 8 ATOM 4282 C CB . SER A 1 24 ? 12.042 27.301 20.952 1.00 0.00 ? 24 SER A CB 8 ATOM 4283 O OG . SER A 1 24 ? 10.636 27.065 20.938 1.00 0.00 ? 24 SER A OG 8 ATOM 4284 H H . SER A 1 24 ? 12.048 24.652 20.762 1.00 0.00 ? 24 SER A H 8 ATOM 4285 H HA . SER A 1 24 ? 13.827 26.635 21.927 1.00 0.00 ? 24 SER A HA 8 ATOM 4286 H HB2 . SER A 1 24 ? 12.204 28.343 21.326 1.00 0.00 ? 24 SER A HB2 8 ATOM 4287 H HB3 . SER A 1 24 ? 12.410 27.233 19.903 1.00 0.00 ? 24 SER A HB3 8 ATOM 4288 H HG . SER A 1 24 ? 10.291 27.620 21.705 1.00 0.00 ? 24 SER A HG 8 ATOM 4289 N N . LYS A 1 25 ? 11.460 25.196 23.472 1.00 0.00 ? 25 LYS A N 8 ATOM 4290 C CA . LYS A 1 25 ? 10.847 24.768 24.708 1.00 0.00 ? 25 LYS A CA 8 ATOM 4291 C C . LYS A 1 25 ? 11.751 23.841 25.510 1.00 0.00 ? 25 LYS A C 8 ATOM 4292 O O . LYS A 1 25 ? 11.288 23.073 26.343 1.00 0.00 ? 25 LYS A O 8 ATOM 4293 C CB . LYS A 1 25 ? 9.538 24.022 24.380 1.00 0.00 ? 25 LYS A CB 8 ATOM 4294 C CG . LYS A 1 25 ? 8.534 24.796 23.516 1.00 0.00 ? 25 LYS A CG 8 ATOM 4295 C CD . LYS A 1 25 ? 7.380 23.952 22.952 1.00 0.00 ? 25 LYS A CD 8 ATOM 4296 C CE . LYS A 1 25 ? 6.269 23.477 23.900 1.00 0.00 ? 25 LYS A CE 8 ATOM 4297 N NZ . LYS A 1 25 ? 6.706 22.349 24.756 1.00 0.00 ? 25 LYS A NZ 8 ATOM 4298 H H . LYS A 1 25 ? 11.119 24.707 22.671 1.00 0.00 ? 25 LYS A H 8 ATOM 4299 H HA . LYS A 1 25 ? 10.612 25.628 25.321 1.00 0.00 ? 25 LYS A HA 8 ATOM 4300 H HB2 . LYS A 1 25 ? 9.817 23.128 23.800 1.00 0.00 ? 25 LYS A HB2 8 ATOM 4301 H HB3 . LYS A 1 25 ? 9.048 23.719 25.320 1.00 0.00 ? 25 LYS A HB3 8 ATOM 4302 H HG2 . LYS A 1 25 ? 8.158 25.693 24.053 1.00 0.00 ? 25 LYS A HG2 8 ATOM 4303 H HG3 . LYS A 1 25 ? 9.061 25.151 22.599 1.00 0.00 ? 25 LYS A HG3 8 ATOM 4304 H HD2 . LYS A 1 25 ? 6.864 24.576 22.186 1.00 0.00 ? 25 LYS A HD2 8 ATOM 4305 H HD3 . LYS A 1 25 ? 7.792 23.076 22.402 1.00 0.00 ? 25 LYS A HD3 8 ATOM 4306 H HE2 . LYS A 1 25 ? 5.894 24.302 24.541 1.00 0.00 ? 25 LYS A HE2 8 ATOM 4307 H HE3 . LYS A 1 25 ? 5.422 23.091 23.290 1.00 0.00 ? 25 LYS A HE3 8 ATOM 4308 H HZ1 . LYS A 1 25 ? 7.375 21.714 24.221 1.00 0.00 ? 25 LYS A HZ1 8 ATOM 4309 H HZ2 . LYS A 1 25 ? 7.180 22.720 25.601 1.00 0.00 ? 25 LYS A HZ2 8 ATOM 4310 H HZ3 . LYS A 1 25 ? 5.882 21.789 25.039 1.00 0.00 ? 25 LYS A HZ3 8 ATOM 4311 N N . GLU A 1 26 ? 13.083 23.963 25.276 1.00 0.00 ? 26 GLU A N 8 ATOM 4312 C CA . GLU A 1 26 ? 14.205 23.494 26.073 1.00 0.00 ? 26 GLU A CA 8 ATOM 4313 C C . GLU A 1 26 ? 14.555 24.612 27.050 1.00 0.00 ? 26 GLU A C 8 ATOM 4314 O O . GLU A 1 26 ? 14.875 24.392 28.213 1.00 0.00 ? 26 GLU A O 8 ATOM 4315 C CB . GLU A 1 26 ? 15.453 23.238 25.161 1.00 0.00 ? 26 GLU A CB 8 ATOM 4316 C CG . GLU A 1 26 ? 16.712 22.622 25.828 1.00 0.00 ? 26 GLU A CG 8 ATOM 4317 C CD . GLU A 1 26 ? 16.618 21.097 25.842 1.00 0.00 ? 26 GLU A CD 8 ATOM 4318 O OE1 . GLU A 1 26 ? 16.472 20.533 24.725 1.00 0.00 ? 26 GLU A OE1 8 ATOM 4319 O OE2 . GLU A 1 26 ? 16.651 20.501 26.949 1.00 0.00 ? 26 GLU A OE2 8 ATOM 4320 H H . GLU A 1 26 ? 13.346 24.501 24.482 1.00 0.00 ? 26 GLU A H 8 ATOM 4321 H HA . GLU A 1 26 ? 13.926 22.601 26.621 1.00 0.00 ? 26 GLU A HA 8 ATOM 4322 H HB2 . GLU A 1 26 ? 15.134 22.556 24.342 1.00 0.00 ? 26 GLU A HB2 8 ATOM 4323 H HB3 . GLU A 1 26 ? 15.762 24.181 24.657 1.00 0.00 ? 26 GLU A HB3 8 ATOM 4324 H HG2 . GLU A 1 26 ? 17.609 22.885 25.232 1.00 0.00 ? 26 GLU A HG2 8 ATOM 4325 H HG3 . GLU A 1 26 ? 16.866 22.997 26.862 1.00 0.00 ? 26 GLU A HG3 8 ATOM 4326 N N . ALA A 1 27 ? 14.460 25.877 26.547 1.00 0.00 ? 27 ALA A N 8 ATOM 4327 C CA . ALA A 1 27 ? 14.580 27.108 27.304 1.00 0.00 ? 27 ALA A CA 8 ATOM 4328 C C . ALA A 1 27 ? 13.224 27.578 27.808 1.00 0.00 ? 27 ALA A C 8 ATOM 4329 O O . ALA A 1 27 ? 13.058 27.773 29.014 1.00 0.00 ? 27 ALA A O 8 ATOM 4330 C CB . ALA A 1 27 ? 15.289 28.212 26.485 1.00 0.00 ? 27 ALA A CB 8 ATOM 4331 H H . ALA A 1 27 ? 14.191 26.007 25.593 1.00 0.00 ? 27 ALA A H 8 ATOM 4332 H HA . ALA A 1 27 ? 15.189 26.919 28.176 1.00 0.00 ? 27 ALA A HA 8 ATOM 4333 H HB1 . ALA A 1 27 ? 16.282 27.823 26.162 1.00 0.00 ? 27 ALA A HB1 8 ATOM 4334 H HB2 . ALA A 1 27 ? 14.727 28.497 25.565 1.00 0.00 ? 27 ALA A HB2 8 ATOM 4335 H HB3 . ALA A 1 27 ? 15.470 29.129 27.093 1.00 0.00 ? 27 ALA A HB3 8 ATOM 4336 N N . GLU A 1 28 ? 12.199 27.677 26.902 1.00 0.00 ? 28 GLU A N 8 ATOM 4337 C CA . GLU A 1 28 ? 10.837 28.178 27.152 1.00 0.00 ? 28 GLU A CA 8 ATOM 4338 C C . GLU A 1 28 ? 9.939 27.257 27.989 1.00 0.00 ? 28 GLU A C 8 ATOM 4339 O O . GLU A 1 28 ? 8.741 27.490 28.145 1.00 0.00 ? 28 GLU A O 8 ATOM 4340 C CB . GLU A 1 28 ? 10.066 28.519 25.830 1.00 0.00 ? 28 GLU A CB 8 ATOM 4341 C CG . GLU A 1 28 ? 10.781 29.563 24.940 1.00 0.00 ? 28 GLU A CG 8 ATOM 4342 C CD . GLU A 1 28 ? 10.120 29.622 23.555 1.00 0.00 ? 28 GLU A CD 8 ATOM 4343 O OE1 . GLU A 1 28 ? 10.039 28.517 22.937 1.00 0.00 ? 28 GLU A OE1 8 ATOM 4344 O OE2 . GLU A 1 28 ? 9.740 30.726 23.080 1.00 0.00 ? 28 GLU A OE2 8 ATOM 4345 H H . GLU A 1 28 ? 12.398 27.492 25.930 1.00 0.00 ? 28 GLU A H 8 ATOM 4346 H HA . GLU A 1 28 ? 10.933 29.107 27.700 1.00 0.00 ? 28 GLU A HA 8 ATOM 4347 H HB2 . GLU A 1 28 ? 9.920 27.599 25.221 1.00 0.00 ? 28 GLU A HB2 8 ATOM 4348 H HB3 . GLU A 1 28 ? 9.055 28.940 26.053 1.00 0.00 ? 28 GLU A HB3 8 ATOM 4349 H HG2 . GLU A 1 28 ? 10.715 30.568 25.404 1.00 0.00 ? 28 GLU A HG2 8 ATOM 4350 H HG3 . GLU A 1 28 ? 11.849 29.292 24.776 1.00 0.00 ? 28 GLU A HG3 8 ATOM 4351 N N . GLU A 1 29 ? 10.503 26.186 28.619 1.00 0.00 ? 29 GLU A N 8 ATOM 4352 C CA . GLU A 1 29 ? 9.792 25.233 29.480 1.00 0.00 ? 29 GLU A CA 8 ATOM 4353 C C . GLU A 1 29 ? 9.656 25.768 30.894 1.00 0.00 ? 29 GLU A C 8 ATOM 4354 O O . GLU A 1 29 ? 8.765 25.370 31.641 1.00 0.00 ? 29 GLU A O 8 ATOM 4355 C CB . GLU A 1 29 ? 10.467 23.816 29.515 1.00 0.00 ? 29 GLU A CB 8 ATOM 4356 C CG . GLU A 1 29 ? 9.520 22.599 29.654 1.00 0.00 ? 29 GLU A CG 8 ATOM 4357 C CD . GLU A 1 29 ? 9.362 22.116 31.090 1.00 0.00 ? 29 GLU A CD 8 ATOM 4358 O OE1 . GLU A 1 29 ? 10.134 22.484 32.013 1.00 0.00 ? 29 GLU A OE1 8 ATOM 4359 O OE2 . GLU A 1 29 ? 8.391 21.329 31.266 1.00 0.00 ? 29 GLU A OE2 8 ATOM 4360 H H . GLU A 1 29 ? 11.478 26.021 28.481 1.00 0.00 ? 29 GLU A H 8 ATOM 4361 H HA . GLU A 1 29 ? 8.786 25.112 29.083 1.00 0.00 ? 29 GLU A HA 8 ATOM 4362 H HB2 . GLU A 1 29 ? 10.899 23.684 28.507 1.00 0.00 ? 29 GLU A HB2 8 ATOM 4363 H HB3 . GLU A 1 29 ? 11.315 23.720 30.237 1.00 0.00 ? 29 GLU A HB3 8 ATOM 4364 H HG2 . GLU A 1 29 ? 8.524 22.842 29.222 1.00 0.00 ? 29 GLU A HG2 8 ATOM 4365 H HG3 . GLU A 1 29 ? 9.959 21.733 29.111 1.00 0.00 ? 29 GLU A HG3 8 ATOM 4366 N N . ALA A 1 30 ? 10.520 26.754 31.284 1.00 0.00 ? 30 ALA A N 8 ATOM 4367 C CA . ALA A 1 30 ? 10.453 27.443 32.564 1.00 0.00 ? 30 ALA A CA 8 ATOM 4368 C C . ALA A 1 30 ? 9.399 28.550 32.597 1.00 0.00 ? 30 ALA A C 8 ATOM 4369 O O . ALA A 1 30 ? 9.023 29.005 33.677 1.00 0.00 ? 30 ALA A O 8 ATOM 4370 C CB . ALA A 1 30 ? 11.832 28.028 32.954 1.00 0.00 ? 30 ALA A CB 8 ATOM 4371 H H . ALA A 1 30 ? 11.265 27.033 30.677 1.00 0.00 ? 30 ALA A H 8 ATOM 4372 H HA . ALA A 1 30 ? 10.189 26.721 33.328 1.00 0.00 ? 30 ALA A HA 8 ATOM 4373 H HB1 . ALA A 1 30 ? 12.570 27.200 33.003 1.00 0.00 ? 30 ALA A HB1 8 ATOM 4374 H HB2 . ALA A 1 30 ? 12.206 28.775 32.219 1.00 0.00 ? 30 ALA A HB2 8 ATOM 4375 H HB3 . ALA A 1 30 ? 11.812 28.509 33.957 1.00 0.00 ? 30 ALA A HB3 8 ATOM 4376 N N . ALA A 1 31 ? 8.922 28.975 31.380 1.00 0.00 ? 31 ALA A N 8 ATOM 4377 C CA . ALA A 1 31 ? 7.751 29.816 31.124 1.00 0.00 ? 31 ALA A CA 8 ATOM 4378 C C . ALA A 1 31 ? 6.499 28.965 30.910 1.00 0.00 ? 31 ALA A C 8 ATOM 4379 O O . ALA A 1 31 ? 5.604 28.946 31.756 1.00 0.00 ? 31 ALA A O 8 ATOM 4380 C CB . ALA A 1 31 ? 7.951 30.784 29.926 1.00 0.00 ? 31 ALA A CB 8 ATOM 4381 H H . ALA A 1 31 ? 9.313 28.555 30.563 1.00 0.00 ? 31 ALA A H 8 ATOM 4382 H HA . ALA A 1 31 ? 7.580 30.430 32.001 1.00 0.00 ? 31 ALA A HA 8 ATOM 4383 H HB1 . ALA A 1 31 ? 8.850 31.415 30.086 1.00 0.00 ? 31 ALA A HB1 8 ATOM 4384 H HB2 . ALA A 1 31 ? 8.083 30.256 28.954 1.00 0.00 ? 31 ALA A HB2 8 ATOM 4385 H HB3 . ALA A 1 31 ? 7.086 31.475 29.801 1.00 0.00 ? 31 ALA A HB3 8 ATOM 4386 N N . LYS A 1 32 ? 6.437 28.216 29.765 1.00 0.00 ? 32 LYS A N 8 ATOM 4387 C CA . LYS A 1 32 ? 5.515 27.111 29.499 1.00 0.00 ? 32 LYS A CA 8 ATOM 4388 C C . LYS A 1 32 ? 4.098 27.530 29.115 1.00 0.00 ? 32 LYS A C 8 ATOM 4389 O O . LYS A 1 32 ? 3.104 27.018 29.629 1.00 0.00 ? 32 LYS A O 8 ATOM 4390 C CB . LYS A 1 32 ? 5.536 26.027 30.623 1.00 0.00 ? 32 LYS A CB 8 ATOM 4391 C CG . LYS A 1 32 ? 5.472 24.574 30.143 1.00 0.00 ? 32 LYS A CG 8 ATOM 4392 C CD . LYS A 1 32 ? 5.609 23.601 31.329 1.00 0.00 ? 32 LYS A CD 8 ATOM 4393 C CE . LYS A 1 32 ? 5.366 22.114 30.996 1.00 0.00 ? 32 LYS A CE 8 ATOM 4394 N NZ . LYS A 1 32 ? 5.980 21.219 32.015 1.00 0.00 ? 32 LYS A NZ 8 ATOM 4395 H H . LYS A 1 32 ? 7.170 28.267 29.072 1.00 0.00 ? 32 LYS A H 8 ATOM 4396 H HA . LYS A 1 32 ? 5.924 26.647 28.614 1.00 0.00 ? 32 LYS A HA 8 ATOM 4397 H HB2 . LYS A 1 32 ? 6.519 26.106 31.129 1.00 0.00 ? 32 LYS A HB2 8 ATOM 4398 H HB3 . LYS A 1 32 ? 4.767 26.237 31.403 1.00 0.00 ? 32 LYS A HB3 8 ATOM 4399 H HG2 . LYS A 1 32 ? 4.516 24.421 29.599 1.00 0.00 ? 32 LYS A HG2 8 ATOM 4400 H HG3 . LYS A 1 32 ? 6.319 24.406 29.434 1.00 0.00 ? 32 LYS A HG3 8 ATOM 4401 H HD2 . LYS A 1 32 ? 6.641 23.784 31.718 1.00 0.00 ? 32 LYS A HD2 8 ATOM 4402 H HD3 . LYS A 1 32 ? 4.878 23.879 32.122 1.00 0.00 ? 32 LYS A HD3 8 ATOM 4403 H HE2 . LYS A 1 32 ? 4.283 21.889 30.919 1.00 0.00 ? 32 LYS A HE2 8 ATOM 4404 H HE3 . LYS A 1 32 ? 5.845 21.848 30.034 1.00 0.00 ? 32 LYS A HE3 8 ATOM 4405 H HZ1 . LYS A 1 32 ? 5.987 21.613 32.974 1.00 0.00 ? 32 LYS A HZ1 8 ATOM 4406 H HZ2 . LYS A 1 32 ? 5.596 20.260 32.008 1.00 0.00 ? 32 LYS A HZ2 8 ATOM 4407 H HZ3 . LYS A 1 32 ? 7.022 21.166 31.721 1.00 0.00 ? 32 LYS A HZ3 8 ATOM 4408 N N . GLU A 1 33 ? 3.977 28.451 28.131 1.00 0.00 ? 33 GLU A N 8 ATOM 4409 C CA . GLU A 1 33 ? 2.853 29.342 27.842 1.00 0.00 ? 33 GLU A CA 8 ATOM 4410 C C . GLU A 1 33 ? 1.873 28.751 26.850 1.00 0.00 ? 33 GLU A C 8 ATOM 4411 O O . GLU A 1 33 ? 1.057 29.431 26.229 1.00 0.00 ? 33 GLU A O 8 ATOM 4412 C CB . GLU A 1 33 ? 3.339 30.749 27.365 1.00 0.00 ? 33 GLU A CB 8 ATOM 4413 C CG . GLU A 1 33 ? 4.336 30.844 26.170 1.00 0.00 ? 33 GLU A CG 8 ATOM 4414 C CD . GLU A 1 33 ? 5.734 30.384 26.558 1.00 0.00 ? 33 GLU A CD 8 ATOM 4415 O OE1 . GLU A 1 33 ? 5.929 29.140 26.602 1.00 0.00 ? 33 GLU A OE1 8 ATOM 4416 O OE2 . GLU A 1 33 ? 6.608 31.223 26.881 1.00 0.00 ? 33 GLU A OE2 8 ATOM 4417 H H . GLU A 1 33 ? 4.821 28.680 27.583 1.00 0.00 ? 33 GLU A H 8 ATOM 4418 H HA . GLU A 1 33 ? 2.291 29.498 28.759 1.00 0.00 ? 33 GLU A HA 8 ATOM 4419 H HB2 . GLU A 1 33 ? 2.461 31.381 27.107 1.00 0.00 ? 33 GLU A HB2 8 ATOM 4420 H HB3 . GLU A 1 33 ? 3.837 31.211 28.240 1.00 0.00 ? 33 GLU A HB3 8 ATOM 4421 H HG2 . GLU A 1 33 ? 3.978 30.272 25.288 1.00 0.00 ? 33 GLU A HG2 8 ATOM 4422 H HG3 . GLU A 1 33 ? 4.441 31.908 25.865 1.00 0.00 ? 33 GLU A HG3 8 ATOM 4423 N N . ALA A 1 34 ? 1.972 27.410 26.767 1.00 0.00 ? 34 ALA A N 8 ATOM 4424 C CA . ALA A 1 34 ? 1.051 26.444 26.216 1.00 0.00 ? 34 ALA A CA 8 ATOM 4425 C C . ALA A 1 34 ? 0.097 25.941 27.293 1.00 0.00 ? 34 ALA A C 8 ATOM 4426 O O . ALA A 1 34 ? -1.120 25.899 27.107 1.00 0.00 ? 34 ALA A O 8 ATOM 4427 C CB . ALA A 1 34 ? 1.816 25.229 25.613 1.00 0.00 ? 34 ALA A CB 8 ATOM 4428 H H . ALA A 1 34 ? 2.733 27.077 27.310 1.00 0.00 ? 34 ALA A H 8 ATOM 4429 H HA . ALA A 1 34 ? 0.464 26.914 25.435 1.00 0.00 ? 34 ALA A HA 8 ATOM 4430 H HB1 . ALA A 1 34 ? 2.507 25.589 24.818 1.00 0.00 ? 34 ALA A HB1 8 ATOM 4431 H HB2 . ALA A 1 34 ? 2.440 24.709 26.373 1.00 0.00 ? 34 ALA A HB2 8 ATOM 4432 H HB3 . ALA A 1 34 ? 1.123 24.485 25.153 1.00 0.00 ? 34 ALA A HB3 8 ATOM 4433 N N . VAL A 1 35 ? 0.659 25.483 28.445 1.00 0.00 ? 35 VAL A N 8 ATOM 4434 C CA . VAL A 1 35 ? -0.042 24.629 29.411 1.00 0.00 ? 35 VAL A CA 8 ATOM 4435 C C . VAL A 1 35 ? -0.035 25.292 30.771 1.00 0.00 ? 35 VAL A C 8 ATOM 4436 O O . VAL A 1 35 ? -0.115 24.644 31.816 1.00 0.00 ? 35 VAL A O 8 ATOM 4437 C CB . VAL A 1 35 ? 0.462 23.178 29.460 1.00 0.00 ? 35 VAL A CB 8 ATOM 4438 C CG1 . VAL A 1 35 ? 0.295 22.572 28.051 1.00 0.00 ? 35 VAL A CG1 8 ATOM 4439 C CG2 . VAL A 1 35 ? 1.925 23.046 29.949 1.00 0.00 ? 35 VAL A CG2 8 ATOM 4440 H H . VAL A 1 35 ? 1.619 25.676 28.651 1.00 0.00 ? 35 VAL A H 8 ATOM 4441 H HA . VAL A 1 35 ? -1.091 24.559 29.147 1.00 0.00 ? 35 VAL A HA 8 ATOM 4442 H HB . VAL A 1 35 ? -0.190 22.586 30.143 1.00 0.00 ? 35 VAL A HB 8 ATOM 4443 H HG11 . VAL A 1 35 ? -0.718 22.817 27.656 1.00 0.00 ? 35 VAL A HG11 8 ATOM 4444 H HG12 . VAL A 1 35 ? 1.049 22.980 27.340 1.00 0.00 ? 35 VAL A HG12 8 ATOM 4445 H HG13 . VAL A 1 35 ? 0.398 21.464 28.076 1.00 0.00 ? 35 VAL A HG13 8 ATOM 4446 H HG21 . VAL A 1 35 ? 2.588 23.728 29.376 1.00 0.00 ? 35 VAL A HG21 8 ATOM 4447 H HG22 . VAL A 1 35 ? 2.002 23.293 31.033 1.00 0.00 ? 35 VAL A HG22 8 ATOM 4448 H HG23 . VAL A 1 35 ? 2.276 21.998 29.816 1.00 0.00 ? 35 VAL A HG23 8 ATOM 4449 N N . ASN A 1 36 ? 0.051 26.635 30.732 1.00 0.00 ? 36 ASN A N 8 ATOM 4450 C CA . ASN A 1 36 ? -0.042 27.583 31.799 1.00 0.00 ? 36 ASN A CA 8 ATOM 4451 C C . ASN A 1 36 ? -0.479 28.732 30.936 1.00 0.00 ? 36 ASN A C 8 ATOM 4452 O O . ASN A 1 36 ? -0.149 28.742 29.749 1.00 0.00 ? 36 ASN A O 8 ATOM 4453 C CB . ASN A 1 36 ? 1.305 27.874 32.530 1.00 0.00 ? 36 ASN A CB 8 ATOM 4454 C CG . ASN A 1 36 ? 1.162 29.031 33.537 1.00 0.00 ? 36 ASN A CG 8 ATOM 4455 O OD1 . ASN A 1 36 ? 0.071 29.285 34.046 1.00 0.00 ? 36 ASN A OD1 8 ATOM 4456 N ND2 . ASN A 1 36 ? 2.253 29.795 33.787 1.00 0.00 ? 36 ASN A ND2 8 ATOM 4457 H H . ASN A 1 36 ? 0.100 27.136 29.858 1.00 0.00 ? 36 ASN A H 8 ATOM 4458 H HA . ASN A 1 36 ? -0.835 27.309 32.483 1.00 0.00 ? 36 ASN A HA 8 ATOM 4459 H HB2 . ASN A 1 36 ? 1.620 26.966 33.082 1.00 0.00 ? 36 ASN A HB2 8 ATOM 4460 H HB3 . ASN A 1 36 ? 2.104 28.109 31.790 1.00 0.00 ? 36 ASN A HB3 8 ATOM 4461 H HD21 . ASN A 1 36 ? 3.108 29.635 33.285 1.00 0.00 ? 36 ASN A HD21 8 ATOM 4462 H HD22 . ASN A 1 36 ? 2.129 30.608 34.356 1.00 0.00 ? 36 ASN A HD22 8 ATOM 4463 N N . LEU A 1 37 ? -1.252 29.652 31.527 1.00 0.00 ? 37 LEU A N 8 ATOM 4464 C CA . LEU A 1 37 ? -1.877 30.798 30.922 1.00 0.00 ? 37 LEU A CA 8 ATOM 4465 C C . LEU A 1 37 ? -2.683 31.357 32.055 1.00 0.00 ? 37 LEU A C 8 ATOM 4466 O O . LEU A 1 37 ? -3.871 31.629 31.922 1.00 0.00 ? 37 LEU A O 8 ATOM 4467 C CB . LEU A 1 37 ? -2.714 30.588 29.597 1.00 0.00 ? 37 LEU A CB 8 ATOM 4468 C CG . LEU A 1 37 ? -3.554 29.287 29.379 1.00 0.00 ? 37 LEU A CG 8 ATOM 4469 C CD1 . LEU A 1 37 ? -4.814 29.161 30.251 1.00 0.00 ? 37 LEU A CD1 8 ATOM 4470 C CD2 . LEU A 1 37 ? -3.923 29.123 27.895 1.00 0.00 ? 37 LEU A CD2 8 ATOM 4471 H H . LEU A 1 37 ? -1.371 29.601 32.521 1.00 0.00 ? 37 LEU A H 8 ATOM 4472 H HA . LEU A 1 37 ? -1.101 31.523 30.715 1.00 0.00 ? 37 LEU A HA 8 ATOM 4473 H HB2 . LEU A 1 37 ? -3.359 31.473 29.395 1.00 0.00 ? 37 LEU A HB2 8 ATOM 4474 H HB3 . LEU A 1 37 ? -1.952 30.578 28.790 1.00 0.00 ? 37 LEU A HB3 8 ATOM 4475 H HG . LEU A 1 37 ? -2.914 28.412 29.612 1.00 0.00 ? 37 LEU A HG 8 ATOM 4476 H HD11 . LEU A 1 37 ? -5.459 30.059 30.127 1.00 0.00 ? 37 LEU A HD11 8 ATOM 4477 H HD12 . LEU A 1 37 ? -5.401 28.260 29.966 1.00 0.00 ? 37 LEU A HD12 8 ATOM 4478 H HD13 . LEU A 1 37 ? -4.543 29.083 31.326 1.00 0.00 ? 37 LEU A HD13 8 ATOM 4479 H HD21 . LEU A 1 37 ? -3.005 29.110 27.270 1.00 0.00 ? 37 LEU A HD21 8 ATOM 4480 H HD22 . LEU A 1 37 ? -4.448 28.156 27.736 1.00 0.00 ? 37 LEU A HD22 8 ATOM 4481 H HD23 . LEU A 1 37 ? -4.581 29.945 27.544 1.00 0.00 ? 37 LEU A HD23 8 ATOM 4482 N N . LYS A 1 38 ? -2.041 31.555 33.228 1.00 0.00 ? 38 LYS A N 8 ATOM 4483 C CA . LYS A 1 38 ? -2.605 32.269 34.333 1.00 0.00 ? 38 LYS A CA 8 ATOM 4484 C C . LYS A 1 38 ? -1.334 32.812 35.009 1.00 0.00 ? 38 LYS A C 8 ATOM 4485 O O . LYS A 1 38 ? -0.232 32.268 34.719 1.00 0.00 ? 38 LYS A O 8 ATOM 4486 C CB . LYS A 1 38 ? -3.466 31.398 35.300 1.00 0.00 ? 38 LYS A CB 8 ATOM 4487 C CG . LYS A 1 38 ? -2.714 30.306 36.098 1.00 0.00 ? 38 LYS A CG 8 ATOM 4488 C CD . LYS A 1 38 ? -2.732 30.501 37.627 1.00 0.00 ? 38 LYS A CD 8 ATOM 4489 C CE . LYS A 1 38 ? -2.147 31.847 38.090 1.00 0.00 ? 38 LYS A CE 8 ATOM 4490 N NZ . LYS A 1 38 ? -2.111 31.967 39.562 1.00 0.00 ? 38 LYS A NZ 8 ATOM 4491 O OXT . LYS A 1 38 ? -1.459 33.743 35.848 1.00 0.00 ? 38 LYS A OXT 8 ATOM 4492 H H . LYS A 1 38 ? -1.065 31.386 33.456 1.00 0.00 ? 38 LYS A H 8 ATOM 4493 H HA . LYS A 1 38 ? -3.184 33.114 33.978 1.00 0.00 ? 38 LYS A HA 8 ATOM 4494 H HB2 . LYS A 1 38 ? -4.009 32.077 35.990 1.00 0.00 ? 38 LYS A HB2 8 ATOM 4495 H HB3 . LYS A 1 38 ? -4.241 30.897 34.677 1.00 0.00 ? 38 LYS A HB3 8 ATOM 4496 H HG2 . LYS A 1 38 ? -3.196 29.328 35.879 1.00 0.00 ? 38 LYS A HG2 8 ATOM 4497 H HG3 . LYS A 1 38 ? -1.662 30.241 35.740 1.00 0.00 ? 38 LYS A HG3 8 ATOM 4498 H HD2 . LYS A 1 38 ? -3.787 30.414 37.960 1.00 0.00 ? 38 LYS A HD2 8 ATOM 4499 H HD3 . LYS A 1 38 ? -2.157 29.663 38.075 1.00 0.00 ? 38 LYS A HD3 8 ATOM 4500 H HE2 . LYS A 1 38 ? -1.107 31.975 37.712 1.00 0.00 ? 38 LYS A HE2 8 ATOM 4501 H HE3 . LYS A 1 38 ? -2.768 32.690 37.715 1.00 0.00 ? 38 LYS A HE3 8 ATOM 4502 H HZ1 . LYS A 1 38 ? -3.053 31.782 39.959 1.00 0.00 ? 38 LYS A HZ1 8 ATOM 4503 H HZ2 . LYS A 1 38 ? -1.417 31.302 39.954 1.00 0.00 ? 38 LYS A HZ2 8 ATOM 4504 H HZ3 . LYS A 1 38 ? -1.822 32.939 39.789 1.00 0.00 ? 38 LYS A HZ3 8 ATOM 4505 N N . GLU A 1 1 ? -5.842 6.204 16.259 1.00 0.00 ? 1 GLU A N 9 ATOM 4506 C CA . GLU A 1 1 ? -4.684 5.883 17.135 1.00 0.00 ? 1 GLU A CA 9 ATOM 4507 C C . GLU A 1 1 ? -4.316 4.482 16.781 1.00 0.00 ? 1 GLU A C 9 ATOM 4508 O O . GLU A 1 1 ? -3.670 4.294 15.758 1.00 0.00 ? 1 GLU A O 9 ATOM 4509 C CB . GLU A 1 1 ? -4.979 6.177 18.628 1.00 0.00 ? 1 GLU A CB 9 ATOM 4510 C CG . GLU A 1 1 ? -3.692 6.260 19.480 1.00 0.00 ? 1 GLU A CG 9 ATOM 4511 C CD . GLU A 1 1 ? -3.954 7.119 20.710 1.00 0.00 ? 1 GLU A CD 9 ATOM 4512 O OE1 . GLU A 1 1 ? -4.316 8.307 20.503 1.00 0.00 ? 1 GLU A OE1 9 ATOM 4513 O OE2 . GLU A 1 1 ? -3.820 6.583 21.836 1.00 0.00 ? 1 GLU A OE2 9 ATOM 4514 H H1 . GLU A 1 1 ? -5.613 5.891 15.290 1.00 0.00 ? 1 GLU A H1 9 ATOM 4515 H H2 . GLU A 1 1 ? -6.690 5.709 16.592 1.00 0.00 ? 1 GLU A H2 9 ATOM 4516 H H3 . GLU A 1 1 ? -6.006 7.232 16.262 1.00 0.00 ? 1 GLU A H3 9 ATOM 4517 H HA . GLU A 1 1 ? -3.870 6.517 16.810 1.00 0.00 ? 1 GLU A HA 9 ATOM 4518 H HB2 . GLU A 1 1 ? -5.431 7.195 18.670 1.00 0.00 ? 1 GLU A HB2 9 ATOM 4519 H HB3 . GLU A 1 1 ? -5.711 5.485 19.103 1.00 0.00 ? 1 GLU A HB3 9 ATOM 4520 H HG2 . GLU A 1 1 ? -3.340 5.252 19.783 1.00 0.00 ? 1 GLU A HG2 9 ATOM 4521 H HG3 . GLU A 1 1 ? -2.880 6.760 18.911 1.00 0.00 ? 1 GLU A HG3 9 ATOM 4522 N N . ALA A 1 2 ? -4.801 3.428 17.489 1.00 0.00 ? 2 ALA A N 9 ATOM 4523 C CA . ALA A 1 2 ? -4.627 2.044 17.042 1.00 0.00 ? 2 ALA A CA 9 ATOM 4524 C C . ALA A 1 2 ? -5.746 1.595 16.097 1.00 0.00 ? 2 ALA A C 9 ATOM 4525 O O . ALA A 1 2 ? -6.620 0.829 16.485 1.00 0.00 ? 2 ALA A O 9 ATOM 4526 C CB . ALA A 1 2 ? -4.567 1.052 18.240 1.00 0.00 ? 2 ALA A CB 9 ATOM 4527 H H . ALA A 1 2 ? -5.288 3.543 18.351 1.00 0.00 ? 2 ALA A H 9 ATOM 4528 H HA . ALA A 1 2 ? -3.686 1.940 16.513 1.00 0.00 ? 2 ALA A HA 9 ATOM 4529 H HB1 . ALA A 1 2 ? -3.723 1.324 18.911 1.00 0.00 ? 2 ALA A HB1 9 ATOM 4530 H HB2 . ALA A 1 2 ? -5.502 1.082 18.844 1.00 0.00 ? 2 ALA A HB2 9 ATOM 4531 H HB3 . ALA A 1 2 ? -4.399 0.001 17.906 1.00 0.00 ? 2 ALA A HB3 9 ATOM 4532 N N . TYR A 1 3 ? -5.739 2.068 14.826 1.00 0.00 ? 3 TYR A N 9 ATOM 4533 C CA . TYR A 1 3 ? -6.633 1.609 13.786 1.00 0.00 ? 3 TYR A CA 9 ATOM 4534 C C . TYR A 1 3 ? -5.958 2.252 12.608 1.00 0.00 ? 3 TYR A C 9 ATOM 4535 O O . TYR A 1 3 ? -5.107 3.119 12.809 1.00 0.00 ? 3 TYR A O 9 ATOM 4536 C CB . TYR A 1 3 ? -8.132 2.062 13.926 1.00 0.00 ? 3 TYR A CB 9 ATOM 4537 C CG . TYR A 1 3 ? -9.067 1.119 13.196 1.00 0.00 ? 3 TYR A CG 9 ATOM 4538 C CD1 . TYR A 1 3 ? -9.317 -0.165 13.723 1.00 0.00 ? 3 TYR A CD1 9 ATOM 4539 C CD2 . TYR A 1 3 ? -9.721 1.494 12.004 1.00 0.00 ? 3 TYR A CD2 9 ATOM 4540 C CE1 . TYR A 1 3 ? -10.200 -1.051 13.083 1.00 0.00 ? 3 TYR A CE1 9 ATOM 4541 C CE2 . TYR A 1 3 ? -10.596 0.610 11.356 1.00 0.00 ? 3 TYR A CE2 9 ATOM 4542 C CZ . TYR A 1 3 ? -10.842 -0.662 11.895 1.00 0.00 ? 3 TYR A CZ 9 ATOM 4543 O OH . TYR A 1 3 ? -11.744 -1.528 11.234 1.00 0.00 ? 3 TYR A OH 9 ATOM 4544 H H . TYR A 1 3 ? -5.048 2.702 14.446 1.00 0.00 ? 3 TYR A H 9 ATOM 4545 H HA . TYR A 1 3 ? -6.540 0.531 13.705 1.00 0.00 ? 3 TYR A HA 9 ATOM 4546 H HB2 . TYR A 1 3 ? -8.425 2.000 14.997 1.00 0.00 ? 3 TYR A HB2 9 ATOM 4547 H HB3 . TYR A 1 3 ? -8.327 3.109 13.601 1.00 0.00 ? 3 TYR A HB3 9 ATOM 4548 H HD1 . TYR A 1 3 ? -8.829 -0.467 14.639 1.00 0.00 ? 3 TYR A HD1 9 ATOM 4549 H HD2 . TYR A 1 3 ? -9.558 2.472 11.581 1.00 0.00 ? 3 TYR A HD2 9 ATOM 4550 H HE1 . TYR A 1 3 ? -10.371 -2.024 13.518 1.00 0.00 ? 3 TYR A HE1 9 ATOM 4551 H HE2 . TYR A 1 3 ? -11.098 0.904 10.446 1.00 0.00 ? 3 TYR A HE2 9 ATOM 4552 H HH . TYR A 1 3 ? -11.870 -2.310 11.778 1.00 0.00 ? 3 TYR A HH 9 ATOM 4553 N N . LYS A 1 4 ? -6.335 1.877 11.359 1.00 0.00 ? 4 LYS A N 9 ATOM 4554 C CA . LYS A 1 4 ? -5.611 2.168 10.127 1.00 0.00 ? 4 LYS A CA 9 ATOM 4555 C C . LYS A 1 4 ? -6.294 3.298 9.375 1.00 0.00 ? 4 LYS A C 9 ATOM 4556 O O . LYS A 1 4 ? -6.429 3.299 8.152 1.00 0.00 ? 4 LYS A O 9 ATOM 4557 C CB . LYS A 1 4 ? -5.486 0.887 9.245 1.00 0.00 ? 4 LYS A CB 9 ATOM 4558 C CG . LYS A 1 4 ? -4.105 0.735 8.580 1.00 0.00 ? 4 LYS A CG 9 ATOM 4559 C CD . LYS A 1 4 ? -4.160 0.239 7.134 1.00 0.00 ? 4 LYS A CD 9 ATOM 4560 C CE . LYS A 1 4 ? -4.738 1.294 6.174 1.00 0.00 ? 4 LYS A CE 9 ATOM 4561 N NZ . LYS A 1 4 ? -4.601 0.853 4.771 1.00 0.00 ? 4 LYS A NZ 9 ATOM 4562 H H . LYS A 1 4 ? -7.111 1.259 11.252 1.00 0.00 ? 4 LYS A H 9 ATOM 4563 H HA . LYS A 1 4 ? -4.606 2.499 10.368 1.00 0.00 ? 4 LYS A HA 9 ATOM 4564 H HB2 . LYS A 1 4 ? -5.570 0.008 9.921 1.00 0.00 ? 4 LYS A HB2 9 ATOM 4565 H HB3 . LYS A 1 4 ? -6.316 0.778 8.510 1.00 0.00 ? 4 LYS A HB3 9 ATOM 4566 H HG2 . LYS A 1 4 ? -3.564 1.707 8.587 1.00 0.00 ? 4 LYS A HG2 9 ATOM 4567 H HG3 . LYS A 1 4 ? -3.508 0.014 9.183 1.00 0.00 ? 4 LYS A HG3 9 ATOM 4568 H HD2 . LYS A 1 4 ? -3.109 0.006 6.848 1.00 0.00 ? 4 LYS A HD2 9 ATOM 4569 H HD3 . LYS A 1 4 ? -4.744 -0.709 7.090 1.00 0.00 ? 4 LYS A HD3 9 ATOM 4570 H HE2 . LYS A 1 4 ? -5.818 1.482 6.366 1.00 0.00 ? 4 LYS A HE2 9 ATOM 4571 H HE3 . LYS A 1 4 ? -4.181 2.250 6.284 1.00 0.00 ? 4 LYS A HE3 9 ATOM 4572 H HZ1 . LYS A 1 4 ? -3.623 0.541 4.615 1.00 0.00 ? 4 LYS A HZ1 9 ATOM 4573 H HZ2 . LYS A 1 4 ? -5.253 0.064 4.595 1.00 0.00 ? 4 LYS A HZ2 9 ATOM 4574 H HZ3 . LYS A 1 4 ? -4.819 1.635 4.119 1.00 0.00 ? 4 LYS A HZ3 9 ATOM 4575 N N . LYS A 1 5 ? -6.745 4.294 10.169 1.00 0.00 ? 5 LYS A N 9 ATOM 4576 C CA . LYS A 1 5 ? -7.468 5.501 9.808 1.00 0.00 ? 5 LYS A CA 9 ATOM 4577 C C . LYS A 1 5 ? -6.460 6.632 9.896 1.00 0.00 ? 5 LYS A C 9 ATOM 4578 O O . LYS A 1 5 ? -6.580 7.671 9.248 1.00 0.00 ? 5 LYS A O 9 ATOM 4579 C CB . LYS A 1 5 ? -8.670 5.682 10.795 1.00 0.00 ? 5 LYS A CB 9 ATOM 4580 C CG . LYS A 1 5 ? -9.967 6.310 10.239 1.00 0.00 ? 5 LYS A CG 9 ATOM 4581 C CD . LYS A 1 5 ? -10.116 7.832 10.403 1.00 0.00 ? 5 LYS A CD 9 ATOM 4582 C CE . LYS A 1 5 ? -11.526 8.315 10.001 1.00 0.00 ? 5 LYS A CE 9 ATOM 4583 N NZ . LYS A 1 5 ? -11.714 9.770 10.250 1.00 0.00 ? 5 LYS A NZ 9 ATOM 4584 H H . LYS A 1 5 ? -6.617 4.149 11.145 1.00 0.00 ? 5 LYS A H 9 ATOM 4585 H HA . LYS A 1 5 ? -7.833 5.426 8.791 1.00 0.00 ? 5 LYS A HA 9 ATOM 4586 H HB2 . LYS A 1 5 ? -9.001 4.647 11.024 1.00 0.00 ? 5 LYS A HB2 9 ATOM 4587 H HB3 . LYS A 1 5 ? -8.382 6.133 11.770 1.00 0.00 ? 5 LYS A HB3 9 ATOM 4588 H HG2 . LYS A 1 5 ? -10.099 6.018 9.175 1.00 0.00 ? 5 LYS A HG2 9 ATOM 4589 H HG3 . LYS A 1 5 ? -10.805 5.848 10.809 1.00 0.00 ? 5 LYS A HG3 9 ATOM 4590 H HD2 . LYS A 1 5 ? -9.922 8.081 11.470 1.00 0.00 ? 5 LYS A HD2 9 ATOM 4591 H HD3 . LYS A 1 5 ? -9.337 8.332 9.784 1.00 0.00 ? 5 LYS A HD3 9 ATOM 4592 H HE2 . LYS A 1 5 ? -11.704 8.129 8.919 1.00 0.00 ? 5 LYS A HE2 9 ATOM 4593 H HE3 . LYS A 1 5 ? -12.299 7.775 10.591 1.00 0.00 ? 5 LYS A HE3 9 ATOM 4594 H HZ1 . LYS A 1 5 ? -11.582 9.979 11.259 1.00 0.00 ? 5 LYS A HZ1 9 ATOM 4595 H HZ2 . LYS A 1 5 ? -11.028 10.315 9.693 1.00 0.00 ? 5 LYS A HZ2 9 ATOM 4596 H HZ3 . LYS A 1 5 ? -12.676 10.052 9.970 1.00 0.00 ? 5 LYS A HZ3 9 ATOM 4597 N N . ALA A 1 6 ? -5.397 6.389 10.722 1.00 0.00 ? 6 ALA A N 9 ATOM 4598 C CA . ALA A 1 6 ? -4.106 7.046 10.756 1.00 0.00 ? 6 ALA A CA 9 ATOM 4599 C C . ALA A 1 6 ? -3.205 6.244 9.843 1.00 0.00 ? 6 ALA A C 9 ATOM 4600 O O . ALA A 1 6 ? -3.062 5.037 10.037 1.00 0.00 ? 6 ALA A O 9 ATOM 4601 C CB . ALA A 1 6 ? -3.496 7.088 12.186 1.00 0.00 ? 6 ALA A CB 9 ATOM 4602 H H . ALA A 1 6 ? -5.332 5.509 11.176 1.00 0.00 ? 6 ALA A H 9 ATOM 4603 H HA . ALA A 1 6 ? -4.201 8.055 10.375 1.00 0.00 ? 6 ALA A HA 9 ATOM 4604 H HB1 . ALA A 1 6 ? -3.446 6.077 12.650 1.00 0.00 ? 6 ALA A HB1 9 ATOM 4605 H HB2 . ALA A 1 6 ? -2.466 7.521 12.182 1.00 0.00 ? 6 ALA A HB2 9 ATOM 4606 H HB3 . ALA A 1 6 ? -4.117 7.733 12.841 1.00 0.00 ? 6 ALA A HB3 9 ATOM 4607 N N . LYS A 1 7 ? -2.661 6.904 8.799 1.00 0.00 ? 7 LYS A N 9 ATOM 4608 C CA . LYS A 1 7 ? -1.646 6.430 7.883 1.00 0.00 ? 7 LYS A CA 9 ATOM 4609 C C . LYS A 1 7 ? -0.328 7.054 8.314 1.00 0.00 ? 7 LYS A C 9 ATOM 4610 O O . LYS A 1 7 ? -0.173 7.445 9.465 1.00 0.00 ? 7 LYS A O 9 ATOM 4611 C CB . LYS A 1 7 ? -2.067 6.737 6.416 1.00 0.00 ? 7 LYS A CB 9 ATOM 4612 C CG . LYS A 1 7 ? -2.512 8.189 6.121 1.00 0.00 ? 7 LYS A CG 9 ATOM 4613 C CD . LYS A 1 7 ? -3.159 8.379 4.736 1.00 0.00 ? 7 LYS A CD 9 ATOM 4614 C CE . LYS A 1 7 ? -2.285 8.014 3.526 1.00 0.00 ? 7 LYS A CE 9 ATOM 4615 N NZ . LYS A 1 7 ? -1.097 8.894 3.436 1.00 0.00 ? 7 LYS A NZ 9 ATOM 4616 H H . LYS A 1 7 ? -2.837 7.888 8.735 1.00 0.00 ? 7 LYS A H 9 ATOM 4617 H HA . LYS A 1 7 ? -1.531 5.356 7.973 1.00 0.00 ? 7 LYS A HA 9 ATOM 4618 H HB2 . LYS A 1 7 ? -1.293 6.382 5.700 1.00 0.00 ? 7 LYS A HB2 9 ATOM 4619 H HB3 . LYS A 1 7 ? -2.974 6.111 6.238 1.00 0.00 ? 7 LYS A HB3 9 ATOM 4620 H HG2 . LYS A 1 7 ? -3.294 8.498 6.852 1.00 0.00 ? 7 LYS A HG2 9 ATOM 4621 H HG3 . LYS A 1 7 ? -1.663 8.889 6.255 1.00 0.00 ? 7 LYS A HG3 9 ATOM 4622 H HD2 . LYS A 1 7 ? -4.071 7.742 4.699 1.00 0.00 ? 7 LYS A HD2 9 ATOM 4623 H HD3 . LYS A 1 7 ? -3.504 9.434 4.647 1.00 0.00 ? 7 LYS A HD3 9 ATOM 4624 H HE2 . LYS A 1 7 ? -1.934 6.964 3.601 1.00 0.00 ? 7 LYS A HE2 9 ATOM 4625 H HE3 . LYS A 1 7 ? -2.864 8.126 2.583 1.00 0.00 ? 7 LYS A HE3 9 ATOM 4626 H HZ1 . LYS A 1 7 ? -0.680 9.008 4.380 1.00 0.00 ? 7 LYS A HZ1 9 ATOM 4627 H HZ2 . LYS A 1 7 ? -0.392 8.475 2.796 1.00 0.00 ? 7 LYS A HZ2 9 ATOM 4628 H HZ3 . LYS A 1 7 ? -1.380 9.824 3.059 1.00 0.00 ? 7 LYS A HZ3 9 ATOM 4629 N N . GLN A 1 8 ? 0.658 7.248 7.386 1.00 0.00 ? 8 GLN A N 9 ATOM 4630 C CA . GLN A 1 8 ? 1.945 7.884 7.687 1.00 0.00 ? 8 GLN A CA 9 ATOM 4631 C C . GLN A 1 8 ? 1.843 9.397 7.705 1.00 0.00 ? 8 GLN A C 9 ATOM 4632 O O . GLN A 1 8 ? 2.652 10.075 8.319 1.00 0.00 ? 8 GLN A O 9 ATOM 4633 C CB . GLN A 1 8 ? 3.076 7.553 6.662 1.00 0.00 ? 8 GLN A CB 9 ATOM 4634 C CG . GLN A 1 8 ? 3.416 6.062 6.515 1.00 0.00 ? 8 GLN A CG 9 ATOM 4635 C CD . GLN A 1 8 ? 4.702 5.966 5.685 1.00 0.00 ? 8 GLN A CD 9 ATOM 4636 O OE1 . GLN A 1 8 ? 5.776 6.074 6.260 1.00 0.00 ? 8 GLN A OE1 9 ATOM 4637 N NE2 . GLN A 1 8 ? 4.637 5.820 4.339 1.00 0.00 ? 8 GLN A NE2 9 ATOM 4638 H H . GLN A 1 8 ? 0.574 6.886 6.468 1.00 0.00 ? 8 GLN A H 9 ATOM 4639 H HA . GLN A 1 8 ? 2.280 7.576 8.673 1.00 0.00 ? 8 GLN A HA 9 ATOM 4640 H HB2 . GLN A 1 8 ? 2.859 7.960 5.646 1.00 0.00 ? 8 GLN A HB2 9 ATOM 4641 H HB3 . GLN A 1 8 ? 4.018 8.041 7.017 1.00 0.00 ? 8 GLN A HB3 9 ATOM 4642 H HG2 . GLN A 1 8 ? 3.622 5.635 7.521 1.00 0.00 ? 8 GLN A HG2 9 ATOM 4643 H HG3 . GLN A 1 8 ? 2.588 5.488 6.052 1.00 0.00 ? 8 GLN A HG3 9 ATOM 4644 H HE21 . GLN A 1 8 ? 3.759 5.771 3.868 1.00 0.00 ? 8 GLN A HE21 9 ATOM 4645 H HE22 . GLN A 1 8 ? 5.497 5.756 3.832 1.00 0.00 ? 8 GLN A HE22 9 ATOM 4646 N N . ALA A 1 9 ? 0.835 9.953 6.980 1.00 0.00 ? 9 ALA A N 9 ATOM 4647 C CA . ALA A 1 9 ? 0.515 11.372 6.928 1.00 0.00 ? 9 ALA A CA 9 ATOM 4648 C C . ALA A 1 9 ? -0.664 11.552 7.845 1.00 0.00 ? 9 ALA A C 9 ATOM 4649 O O . ALA A 1 9 ? -1.791 11.235 7.468 1.00 0.00 ? 9 ALA A O 9 ATOM 4650 C CB . ALA A 1 9 ? 0.161 11.853 5.500 1.00 0.00 ? 9 ALA A CB 9 ATOM 4651 H H . ALA A 1 9 ? 0.147 9.349 6.600 1.00 0.00 ? 9 ALA A H 9 ATOM 4652 H HA . ALA A 1 9 ? 1.342 11.973 7.286 1.00 0.00 ? 9 ALA A HA 9 ATOM 4653 H HB1 . ALA A 1 9 ? 1.022 11.663 4.821 1.00 0.00 ? 9 ALA A HB1 9 ATOM 4654 H HB2 . ALA A 1 9 ? -0.736 11.354 5.076 1.00 0.00 ? 9 ALA A HB2 9 ATOM 4655 H HB3 . ALA A 1 9 ? -0.033 12.949 5.482 1.00 0.00 ? 9 ALA A HB3 9 ATOM 4656 N N . SER A 1 10 ? -0.419 11.960 9.105 1.00 0.00 ? 10 SER A N 9 ATOM 4657 C CA . SER A 1 10 ? -1.332 11.802 10.209 1.00 0.00 ? 10 SER A CA 9 ATOM 4658 C C . SER A 1 10 ? -0.426 12.315 11.282 1.00 0.00 ? 10 SER A C 9 ATOM 4659 O O . SER A 1 10 ? 0.489 13.089 10.976 1.00 0.00 ? 10 SER A O 9 ATOM 4660 C CB . SER A 1 10 ? -1.786 10.323 10.509 1.00 0.00 ? 10 SER A CB 9 ATOM 4661 O OG . SER A 1 10 ? -2.673 9.853 9.499 1.00 0.00 ? 10 SER A OG 9 ATOM 4662 H H . SER A 1 10 ? 0.441 12.387 9.425 1.00 0.00 ? 10 SER A H 9 ATOM 4663 H HA . SER A 1 10 ? -2.166 12.484 10.103 1.00 0.00 ? 10 SER A HA 9 ATOM 4664 H HB2 . SER A 1 10 ? -0.904 9.637 10.545 1.00 0.00 ? 10 SER A HB2 9 ATOM 4665 H HB3 . SER A 1 10 ? -2.342 10.225 11.470 1.00 0.00 ? 10 SER A HB3 9 ATOM 4666 H HG . SER A 1 10 ? -2.443 10.387 8.706 1.00 0.00 ? 10 SER A HG 9 ATOM 4667 N N . GLN A 1 11 ? -0.584 11.824 12.540 1.00 0.00 ? 11 GLN A N 9 ATOM 4668 C CA . GLN A 1 11 ? 0.128 12.221 13.747 1.00 0.00 ? 11 GLN A CA 9 ATOM 4669 C C . GLN A 1 11 ? 1.578 11.761 13.743 1.00 0.00 ? 11 GLN A C 9 ATOM 4670 O O . GLN A 1 11 ? 2.464 12.464 14.220 1.00 0.00 ? 11 GLN A O 9 ATOM 4671 C CB . GLN A 1 11 ? -0.633 11.777 15.028 1.00 0.00 ? 11 GLN A CB 9 ATOM 4672 C CG . GLN A 1 11 ? -0.822 10.248 15.247 1.00 0.00 ? 11 GLN A CG 9 ATOM 4673 C CD . GLN A 1 11 ? -0.004 9.761 16.444 1.00 0.00 ? 11 GLN A CD 9 ATOM 4674 O OE1 . GLN A 1 11 ? 0.823 10.508 16.956 1.00 0.00 ? 11 GLN A OE1 9 ATOM 4675 N NE2 . GLN A 1 11 ? -0.255 8.522 16.943 1.00 0.00 ? 11 GLN A NE2 9 ATOM 4676 H H . GLN A 1 11 ? -1.291 11.150 12.721 1.00 0.00 ? 11 GLN A H 9 ATOM 4677 H HA . GLN A 1 11 ? 0.141 13.304 13.768 1.00 0.00 ? 11 GLN A HA 9 ATOM 4678 H HB2 . GLN A 1 11 ? -0.181 12.292 15.906 1.00 0.00 ? 11 GLN A HB2 9 ATOM 4679 H HB3 . GLN A 1 11 ? -1.659 12.199 14.953 1.00 0.00 ? 11 GLN A HB3 9 ATOM 4680 H HG2 . GLN A 1 11 ? -1.889 10.058 15.480 1.00 0.00 ? 11 GLN A HG2 9 ATOM 4681 H HG3 . GLN A 1 11 ? -0.545 9.649 14.354 1.00 0.00 ? 11 GLN A HG3 9 ATOM 4682 H HE21 . GLN A 1 11 ? -0.785 7.880 16.391 1.00 0.00 ? 11 GLN A HE21 9 ATOM 4683 H HE22 . GLN A 1 11 ? 0.237 8.215 17.760 1.00 0.00 ? 11 GLN A HE22 9 ATOM 4684 N N . ASP A 1 12 ? 1.855 10.626 13.040 1.00 0.00 ? 12 ASP A N 9 ATOM 4685 C CA . ASP A 1 12 ? 3.170 10.041 12.804 1.00 0.00 ? 12 ASP A CA 9 ATOM 4686 C C . ASP A 1 12 ? 3.907 10.659 11.620 1.00 0.00 ? 12 ASP A C 9 ATOM 4687 O O . ASP A 1 12 ? 4.998 10.214 11.269 1.00 0.00 ? 12 ASP A O 9 ATOM 4688 C CB . ASP A 1 12 ? 3.115 8.506 12.541 1.00 0.00 ? 12 ASP A CB 9 ATOM 4689 C CG . ASP A 1 12 ? 2.440 7.769 13.685 1.00 0.00 ? 12 ASP A CG 9 ATOM 4690 O OD1 . ASP A 1 12 ? 1.187 7.895 13.763 1.00 0.00 ? 12 ASP A OD1 9 ATOM 4691 O OD2 . ASP A 1 12 ? 3.147 7.074 14.460 1.00 0.00 ? 12 ASP A OD2 9 ATOM 4692 H H . ASP A 1 12 ? 1.113 10.023 12.753 1.00 0.00 ? 12 ASP A H 9 ATOM 4693 H HA . ASP A 1 12 ? 3.776 10.204 13.688 1.00 0.00 ? 12 ASP A HA 9 ATOM 4694 H HB2 . ASP A 1 12 ? 2.551 8.275 11.610 1.00 0.00 ? 12 ASP A HB2 9 ATOM 4695 H HB3 . ASP A 1 12 ? 4.141 8.084 12.445 1.00 0.00 ? 12 ASP A HB3 9 ATOM 4696 N N . ALA A 1 13 ? 3.341 11.736 11.002 1.00 0.00 ? 13 ALA A N 9 ATOM 4697 C CA . ALA A 1 13 ? 4.105 12.684 10.199 1.00 0.00 ? 13 ALA A CA 9 ATOM 4698 C C . ALA A 1 13 ? 4.309 13.938 10.998 1.00 0.00 ? 13 ALA A C 9 ATOM 4699 O O . ALA A 1 13 ? 5.249 14.687 10.747 1.00 0.00 ? 13 ALA A O 9 ATOM 4700 C CB . ALA A 1 13 ? 3.420 13.150 8.886 1.00 0.00 ? 13 ALA A CB 9 ATOM 4701 H H . ALA A 1 13 ? 2.381 11.961 11.175 1.00 0.00 ? 13 ALA A H 9 ATOM 4702 H HA . ALA A 1 13 ? 5.080 12.282 9.944 1.00 0.00 ? 13 ALA A HA 9 ATOM 4703 H HB1 . ALA A 1 13 ? 2.410 13.585 9.058 1.00 0.00 ? 13 ALA A HB1 9 ATOM 4704 H HB2 . ALA A 1 13 ? 4.034 13.900 8.334 1.00 0.00 ? 13 ALA A HB2 9 ATOM 4705 H HB3 . ALA A 1 13 ? 3.323 12.291 8.199 1.00 0.00 ? 13 ALA A HB3 9 ATOM 4706 N N . GLU A 1 14 ? 3.391 14.210 11.965 1.00 0.00 ? 14 GLU A N 9 ATOM 4707 C CA . GLU A 1 14 ? 3.177 15.492 12.603 1.00 0.00 ? 14 GLU A CA 9 ATOM 4708 C C . GLU A 1 14 ? 4.108 15.629 13.775 1.00 0.00 ? 14 GLU A C 9 ATOM 4709 O O . GLU A 1 14 ? 4.794 16.631 13.923 1.00 0.00 ? 14 GLU A O 9 ATOM 4710 C CB . GLU A 1 14 ? 1.708 15.663 13.086 1.00 0.00 ? 14 GLU A CB 9 ATOM 4711 C CG . GLU A 1 14 ? 1.322 17.131 13.293 1.00 0.00 ? 14 GLU A CG 9 ATOM 4712 C CD . GLU A 1 14 ? -0.024 17.243 13.996 1.00 0.00 ? 14 GLU A CD 9 ATOM 4713 O OE1 . GLU A 1 14 ? -0.176 16.695 15.128 1.00 0.00 ? 14 GLU A OE1 9 ATOM 4714 O OE2 . GLU A 1 14 ? -0.872 18.023 13.506 1.00 0.00 ? 14 GLU A OE2 9 ATOM 4715 H H . GLU A 1 14 ? 2.742 13.503 12.246 1.00 0.00 ? 14 GLU A H 9 ATOM 4716 H HA . GLU A 1 14 ? 3.400 16.279 11.892 1.00 0.00 ? 14 GLU A HA 9 ATOM 4717 H HB2 . GLU A 1 14 ? 1.019 15.266 12.307 1.00 0.00 ? 14 GLU A HB2 9 ATOM 4718 H HB3 . GLU A 1 14 ? 1.499 15.076 14.012 1.00 0.00 ? 14 GLU A HB3 9 ATOM 4719 H HG2 . GLU A 1 14 ? 2.080 17.632 13.928 1.00 0.00 ? 14 GLU A HG2 9 ATOM 4720 H HG3 . GLU A 1 14 ? 1.289 17.659 12.315 1.00 0.00 ? 14 GLU A HG3 9 ATOM 4721 N N . GLN A 1 15 ? 4.218 14.548 14.595 1.00 0.00 ? 15 GLN A N 9 ATOM 4722 C CA . GLN A 1 15 ? 4.984 14.365 15.827 1.00 0.00 ? 15 GLN A CA 9 ATOM 4723 C C . GLN A 1 15 ? 6.488 14.432 15.603 1.00 0.00 ? 15 GLN A C 9 ATOM 4724 O O . GLN A 1 15 ? 7.267 14.799 16.483 1.00 0.00 ? 15 GLN A O 9 ATOM 4725 C CB . GLN A 1 15 ? 4.631 13.001 16.507 1.00 0.00 ? 15 GLN A CB 9 ATOM 4726 C CG . GLN A 1 15 ? 5.121 12.831 17.961 1.00 0.00 ? 15 GLN A CG 9 ATOM 4727 C CD . GLN A 1 15 ? 4.273 13.688 18.893 1.00 0.00 ? 15 GLN A CD 9 ATOM 4728 O OE1 . GLN A 1 15 ? 3.140 13.361 19.222 1.00 0.00 ? 15 GLN A OE1 9 ATOM 4729 N NE2 . GLN A 1 15 ? 4.800 14.865 19.302 1.00 0.00 ? 15 GLN A NE2 9 ATOM 4730 H H . GLN A 1 15 ? 3.630 13.755 14.380 1.00 0.00 ? 15 GLN A H 9 ATOM 4731 H HA . GLN A 1 15 ? 4.696 15.163 16.493 1.00 0.00 ? 15 GLN A HA 9 ATOM 4732 H HB2 . GLN A 1 15 ? 3.523 12.887 16.523 1.00 0.00 ? 15 GLN A HB2 9 ATOM 4733 H HB3 . GLN A 1 15 ? 5.020 12.142 15.908 1.00 0.00 ? 15 GLN A HB3 9 ATOM 4734 H HG2 . GLN A 1 15 ? 4.966 11.777 18.250 1.00 0.00 ? 15 GLN A HG2 9 ATOM 4735 H HG3 . GLN A 1 15 ? 6.205 13.061 18.053 1.00 0.00 ? 15 GLN A HG3 9 ATOM 4736 H HE21 . GLN A 1 15 ? 5.705 15.161 18.985 1.00 0.00 ? 15 GLN A HE21 9 ATOM 4737 H HE22 . GLN A 1 15 ? 4.298 15.401 19.980 1.00 0.00 ? 15 GLN A HE22 9 ATOM 4738 N N . ALA A 1 16 ? 6.886 14.129 14.339 1.00 0.00 ? 16 ALA A N 9 ATOM 4739 C CA . ALA A 1 16 ? 8.236 14.219 13.813 1.00 0.00 ? 16 ALA A CA 9 ATOM 4740 C C . ALA A 1 16 ? 8.561 15.621 13.320 1.00 0.00 ? 16 ALA A C 9 ATOM 4741 O O . ALA A 1 16 ? 9.727 15.989 13.222 1.00 0.00 ? 16 ALA A O 9 ATOM 4742 C CB . ALA A 1 16 ? 8.451 13.218 12.652 1.00 0.00 ? 16 ALA A CB 9 ATOM 4743 H H . ALA A 1 16 ? 6.195 13.801 13.698 1.00 0.00 ? 16 ALA A H 9 ATOM 4744 H HA . ALA A 1 16 ? 8.942 13.979 14.602 1.00 0.00 ? 16 ALA A HA 9 ATOM 4745 H HB1 . ALA A 1 16 ? 8.248 12.181 13.000 1.00 0.00 ? 16 ALA A HB1 9 ATOM 4746 H HB2 . ALA A 1 16 ? 7.771 13.420 11.791 1.00 0.00 ? 16 ALA A HB2 9 ATOM 4747 H HB3 . ALA A 1 16 ? 9.499 13.236 12.275 1.00 0.00 ? 16 ALA A HB3 9 ATOM 4748 N N . ALA A 1 17 ? 7.523 16.472 13.041 1.00 0.00 ? 17 ALA A N 9 ATOM 4749 C CA . ALA A 1 17 ? 7.711 17.899 12.760 1.00 0.00 ? 17 ALA A CA 9 ATOM 4750 C C . ALA A 1 17 ? 7.626 18.706 14.042 1.00 0.00 ? 17 ALA A C 9 ATOM 4751 O O . ALA A 1 17 ? 8.172 19.803 14.152 1.00 0.00 ? 17 ALA A O 9 ATOM 4752 C CB . ALA A 1 17 ? 6.704 18.465 11.723 1.00 0.00 ? 17 ALA A CB 9 ATOM 4753 H H . ALA A 1 17 ? 6.563 16.169 13.076 1.00 0.00 ? 17 ALA A H 9 ATOM 4754 H HA . ALA A 1 17 ? 8.696 18.064 12.337 1.00 0.00 ? 17 ALA A HA 9 ATOM 4755 H HB1 . ALA A 1 17 ? 6.795 17.893 10.775 1.00 0.00 ? 17 ALA A HB1 9 ATOM 4756 H HB2 . ALA A 1 17 ? 5.649 18.384 12.069 1.00 0.00 ? 17 ALA A HB2 9 ATOM 4757 H HB3 . ALA A 1 17 ? 6.912 19.535 11.490 1.00 0.00 ? 17 ALA A HB3 9 ATOM 4758 N N . LYS A 1 18 ? 6.918 18.142 15.068 1.00 0.00 ? 18 LYS A N 9 ATOM 4759 C CA . LYS A 1 18 ? 6.565 18.746 16.345 1.00 0.00 ? 18 LYS A CA 9 ATOM 4760 C C . LYS A 1 18 ? 7.734 18.754 17.301 1.00 0.00 ? 18 LYS A C 9 ATOM 4761 O O . LYS A 1 18 ? 7.741 19.541 18.237 1.00 0.00 ? 18 LYS A O 9 ATOM 4762 C CB . LYS A 1 18 ? 5.375 18.047 17.076 1.00 0.00 ? 18 LYS A CB 9 ATOM 4763 C CG . LYS A 1 18 ? 3.978 18.405 16.548 1.00 0.00 ? 18 LYS A CG 9 ATOM 4764 C CD . LYS A 1 18 ? 2.865 17.696 17.350 1.00 0.00 ? 18 LYS A CD 9 ATOM 4765 C CE . LYS A 1 18 ? 1.584 18.518 17.580 1.00 0.00 ? 18 LYS A CE 9 ATOM 4766 N NZ . LYS A 1 18 ? 0.839 18.744 16.329 1.00 0.00 ? 18 LYS A NZ 9 ATOM 4767 H H . LYS A 1 18 ? 6.496 17.241 14.941 1.00 0.00 ? 18 LYS A H 9 ATOM 4768 H HA . LYS A 1 18 ? 6.262 19.767 16.169 1.00 0.00 ? 18 LYS A HA 9 ATOM 4769 H HB2 . LYS A 1 18 ? 5.527 16.949 17.090 1.00 0.00 ? 18 LYS A HB2 9 ATOM 4770 H HB3 . LYS A 1 18 ? 5.295 18.385 18.135 1.00 0.00 ? 18 LYS A HB3 9 ATOM 4771 H HG2 . LYS A 1 18 ? 3.895 19.508 16.682 1.00 0.00 ? 18 LYS A HG2 9 ATOM 4772 H HG3 . LYS A 1 18 ? 3.886 18.188 15.465 1.00 0.00 ? 18 LYS A HG3 9 ATOM 4773 H HD2 . LYS A 1 18 ? 2.634 16.705 16.895 1.00 0.00 ? 18 LYS A HD2 9 ATOM 4774 H HD3 . LYS A 1 18 ? 3.256 17.508 18.374 1.00 0.00 ? 18 LYS A HD3 9 ATOM 4775 H HE2 . LYS A 1 18 ? 0.902 17.997 18.285 1.00 0.00 ? 18 LYS A HE2 9 ATOM 4776 H HE3 . LYS A 1 18 ? 1.850 19.510 18.007 1.00 0.00 ? 18 LYS A HE3 9 ATOM 4777 H HZ1 . LYS A 1 18 ? 1.509 19.073 15.608 1.00 0.00 ? 18 LYS A HZ1 9 ATOM 4778 H HZ2 . LYS A 1 18 ? 0.390 17.828 15.961 1.00 0.00 ? 18 LYS A HZ2 9 ATOM 4779 H HZ3 . LYS A 1 18 ? 0.079 19.444 16.424 1.00 0.00 ? 18 LYS A HZ3 9 ATOM 4780 N N . ASP A 1 19 ? 8.764 17.907 17.047 1.00 0.00 ? 19 ASP A N 9 ATOM 4781 C CA . ASP A 1 19 ? 9.993 17.773 17.837 1.00 0.00 ? 19 ASP A CA 9 ATOM 4782 C C . ASP A 1 19 ? 11.001 18.849 17.465 1.00 0.00 ? 19 ASP A C 9 ATOM 4783 O O . ASP A 1 19 ? 11.800 19.290 18.284 1.00 0.00 ? 19 ASP A O 9 ATOM 4784 C CB . ASP A 1 19 ? 10.649 16.343 17.740 1.00 0.00 ? 19 ASP A CB 9 ATOM 4785 C CG . ASP A 1 19 ? 11.461 15.980 19.013 1.00 0.00 ? 19 ASP A CG 9 ATOM 4786 O OD1 . ASP A 1 19 ? 10.817 16.036 20.099 1.00 0.00 ? 19 ASP A OD1 9 ATOM 4787 O OD2 . ASP A 1 19 ? 12.665 15.603 18.921 1.00 0.00 ? 19 ASP A OD2 9 ATOM 4788 H H . ASP A 1 19 ? 8.642 17.272 16.292 1.00 0.00 ? 19 ASP A H 9 ATOM 4789 H HA . ASP A 1 19 ? 9.727 17.947 18.868 1.00 0.00 ? 19 ASP A HA 9 ATOM 4790 H HB2 . ASP A 1 19 ? 9.833 15.591 17.691 1.00 0.00 ? 19 ASP A HB2 9 ATOM 4791 H HB3 . ASP A 1 19 ? 11.278 16.203 16.830 1.00 0.00 ? 19 ASP A HB3 9 ATOM 4792 N N . ALA A 1 20 ? 10.930 19.365 16.210 1.00 0.00 ? 20 ALA A N 9 ATOM 4793 C CA . ALA A 1 20 ? 11.835 20.371 15.650 1.00 0.00 ? 20 ALA A CA 9 ATOM 4794 C C . ALA A 1 20 ? 11.406 21.791 15.989 1.00 0.00 ? 20 ALA A C 9 ATOM 4795 O O . ALA A 1 20 ? 12.227 22.698 16.135 1.00 0.00 ? 20 ALA A O 9 ATOM 4796 C CB . ALA A 1 20 ? 11.945 20.237 14.110 1.00 0.00 ? 20 ALA A CB 9 ATOM 4797 H H . ALA A 1 20 ? 10.227 19.008 15.600 1.00 0.00 ? 20 ALA A H 9 ATOM 4798 H HA . ALA A 1 20 ? 12.827 20.227 16.061 1.00 0.00 ? 20 ALA A HA 9 ATOM 4799 H HB1 . ALA A 1 20 ? 12.284 19.209 13.858 1.00 0.00 ? 20 ALA A HB1 9 ATOM 4800 H HB2 . ALA A 1 20 ? 10.962 20.386 13.608 1.00 0.00 ? 20 ALA A HB2 9 ATOM 4801 H HB3 . ALA A 1 20 ? 12.687 20.944 13.673 1.00 0.00 ? 20 ALA A HB3 9 ATOM 4802 N N . GLU A 1 21 ? 10.071 21.993 16.154 1.00 0.00 ? 21 GLU A N 9 ATOM 4803 C CA . GLU A 1 21 ? 9.468 23.221 16.639 1.00 0.00 ? 21 GLU A CA 9 ATOM 4804 C C . GLU A 1 21 ? 9.319 23.234 18.158 1.00 0.00 ? 21 GLU A C 9 ATOM 4805 O O . GLU A 1 21 ? 8.944 24.262 18.721 1.00 0.00 ? 21 GLU A O 9 ATOM 4806 C CB . GLU A 1 21 ? 8.101 23.488 15.947 1.00 0.00 ? 21 GLU A CB 9 ATOM 4807 C CG . GLU A 1 21 ? 7.046 22.356 16.115 1.00 0.00 ? 21 GLU A CG 9 ATOM 4808 C CD . GLU A 1 21 ? 5.711 22.844 16.666 1.00 0.00 ? 21 GLU A CD 9 ATOM 4809 O OE1 . GLU A 1 21 ? 5.529 24.079 16.798 1.00 0.00 ? 21 GLU A OE1 9 ATOM 4810 O OE2 . GLU A 1 21 ? 4.848 22.002 17.017 1.00 0.00 ? 21 GLU A OE2 9 ATOM 4811 H H . GLU A 1 21 ? 9.429 21.262 15.925 1.00 0.00 ? 21 GLU A H 9 ATOM 4812 H HA . GLU A 1 21 ? 10.106 24.062 16.388 1.00 0.00 ? 21 GLU A HA 9 ATOM 4813 H HB2 . GLU A 1 21 ? 7.726 24.494 16.236 1.00 0.00 ? 21 GLU A HB2 9 ATOM 4814 H HB3 . GLU A 1 21 ? 8.297 23.546 14.854 1.00 0.00 ? 21 GLU A HB3 9 ATOM 4815 H HG2 . GLU A 1 21 ? 6.877 21.820 15.155 1.00 0.00 ? 21 GLU A HG2 9 ATOM 4816 H HG3 . GLU A 1 21 ? 7.412 21.632 16.866 1.00 0.00 ? 21 GLU A HG3 9 ATOM 4817 N N . ASN A 1 22 ? 9.617 22.094 18.857 1.00 0.00 ? 22 ASN A N 9 ATOM 4818 C CA . ASN A 1 22 ? 9.602 21.916 20.307 1.00 0.00 ? 22 ASN A CA 9 ATOM 4819 C C . ASN A 1 22 ? 10.908 22.351 20.936 1.00 0.00 ? 22 ASN A C 9 ATOM 4820 O O . ASN A 1 22 ? 10.958 22.637 22.129 1.00 0.00 ? 22 ASN A O 9 ATOM 4821 C CB . ASN A 1 22 ? 9.263 20.454 20.782 1.00 0.00 ? 22 ASN A CB 9 ATOM 4822 C CG . ASN A 1 22 ? 7.879 20.434 21.435 1.00 0.00 ? 22 ASN A CG 9 ATOM 4823 O OD1 . ASN A 1 22 ? 7.764 20.952 22.540 1.00 0.00 ? 22 ASN A OD1 9 ATOM 4824 N ND2 . ASN A 1 22 ? 6.817 19.902 20.780 1.00 0.00 ? 22 ASN A ND2 9 ATOM 4825 H H . ASN A 1 22 ? 9.797 21.254 18.363 1.00 0.00 ? 22 ASN A H 9 ATOM 4826 H HA . ASN A 1 22 ? 8.846 22.578 20.699 1.00 0.00 ? 22 ASN A HA 9 ATOM 4827 H HB2 . ASN A 1 22 ? 9.316 19.744 19.936 1.00 0.00 ? 22 ASN A HB2 9 ATOM 4828 H HB3 . ASN A 1 22 ? 9.952 20.039 21.553 1.00 0.00 ? 22 ASN A HB3 9 ATOM 4829 H HD21 . ASN A 1 22 ? 6.962 19.588 19.827 1.00 0.00 ? 22 ASN A HD21 9 ATOM 4830 H HD22 . ASN A 1 22 ? 5.920 19.881 21.220 1.00 0.00 ? 22 ASN A HD22 9 ATOM 4831 N N . ALA A 1 23 ? 11.990 22.498 20.124 1.00 0.00 ? 23 ALA A N 9 ATOM 4832 C CA . ALA A 1 23 ? 13.320 22.956 20.548 1.00 0.00 ? 23 ALA A CA 9 ATOM 4833 C C . ALA A 1 23 ? 13.408 24.411 21.038 1.00 0.00 ? 23 ALA A C 9 ATOM 4834 O O . ALA A 1 23 ? 14.309 24.778 21.785 1.00 0.00 ? 23 ALA A O 9 ATOM 4835 C CB . ALA A 1 23 ? 14.373 22.775 19.425 1.00 0.00 ? 23 ALA A CB 9 ATOM 4836 H H . ALA A 1 23 ? 11.900 22.169 19.186 1.00 0.00 ? 23 ALA A H 9 ATOM 4837 H HA . ALA A 1 23 ? 13.623 22.322 21.374 1.00 0.00 ? 23 ALA A HA 9 ATOM 4838 H HB1 . ALA A 1 23 ? 14.417 21.696 19.158 1.00 0.00 ? 23 ALA A HB1 9 ATOM 4839 H HB2 . ALA A 1 23 ? 14.107 23.342 18.506 1.00 0.00 ? 23 ALA A HB2 9 ATOM 4840 H HB3 . ALA A 1 23 ? 15.401 23.068 19.743 1.00 0.00 ? 23 ALA A HB3 9 ATOM 4841 N N . SER A 1 24 ? 12.443 25.284 20.643 1.00 0.00 ? 24 SER A N 9 ATOM 4842 C CA . SER A 1 24 ? 12.280 26.653 21.122 1.00 0.00 ? 24 SER A CA 9 ATOM 4843 C C . SER A 1 24 ? 11.364 26.773 22.324 1.00 0.00 ? 24 SER A C 9 ATOM 4844 O O . SER A 1 24 ? 11.336 27.794 23.012 1.00 0.00 ? 24 SER A O 9 ATOM 4845 C CB . SER A 1 24 ? 11.785 27.599 19.986 1.00 0.00 ? 24 SER A CB 9 ATOM 4846 O OG . SER A 1 24 ? 12.496 27.339 18.778 1.00 0.00 ? 24 SER A OG 9 ATOM 4847 H H . SER A 1 24 ? 11.781 24.996 19.962 1.00 0.00 ? 24 SER A H 9 ATOM 4848 H HA . SER A 1 24 ? 13.233 27.004 21.475 1.00 0.00 ? 24 SER A HA 9 ATOM 4849 H HB2 . SER A 1 24 ? 10.707 27.450 19.760 1.00 0.00 ? 24 SER A HB2 9 ATOM 4850 H HB3 . SER A 1 24 ? 11.936 28.666 20.271 1.00 0.00 ? 24 SER A HB3 9 ATOM 4851 H HG . SER A 1 24 ? 13.432 27.407 18.997 1.00 0.00 ? 24 SER A HG 9 ATOM 4852 N N . LYS A 1 25 ? 10.545 25.710 22.557 1.00 0.00 ? 25 LYS A N 9 ATOM 4853 C CA . LYS A 1 25 ? 9.446 25.586 23.495 1.00 0.00 ? 25 LYS A CA 9 ATOM 4854 C C . LYS A 1 25 ? 9.913 25.049 24.831 1.00 0.00 ? 25 LYS A C 9 ATOM 4855 O O . LYS A 1 25 ? 9.363 25.365 25.890 1.00 0.00 ? 25 LYS A O 9 ATOM 4856 C CB . LYS A 1 25 ? 8.392 24.663 22.846 1.00 0.00 ? 25 LYS A CB 9 ATOM 4857 C CG . LYS A 1 25 ? 7.743 25.295 21.609 1.00 0.00 ? 25 LYS A CG 9 ATOM 4858 C CD . LYS A 1 25 ? 6.570 24.467 21.074 1.00 0.00 ? 25 LYS A CD 9 ATOM 4859 C CE . LYS A 1 25 ? 5.740 25.156 19.974 1.00 0.00 ? 25 LYS A CE 9 ATOM 4860 N NZ . LYS A 1 25 ? 6.510 25.376 18.728 1.00 0.00 ? 25 LYS A NZ 9 ATOM 4861 H H . LYS A 1 25 ? 10.635 24.890 21.997 1.00 0.00 ? 25 LYS A H 9 ATOM 4862 H HA . LYS A 1 25 ? 9.003 26.556 23.682 1.00 0.00 ? 25 LYS A HA 9 ATOM 4863 H HB2 . LYS A 1 25 ? 8.872 23.710 22.532 1.00 0.00 ? 25 LYS A HB2 9 ATOM 4864 H HB3 . LYS A 1 25 ? 7.581 24.411 23.549 1.00 0.00 ? 25 LYS A HB3 9 ATOM 4865 H HG2 . LYS A 1 25 ? 7.371 26.292 21.929 1.00 0.00 ? 25 LYS A HG2 9 ATOM 4866 H HG3 . LYS A 1 25 ? 8.513 25.444 20.824 1.00 0.00 ? 25 LYS A HG3 9 ATOM 4867 H HD2 . LYS A 1 25 ? 6.942 23.474 20.734 1.00 0.00 ? 25 LYS A HD2 9 ATOM 4868 H HD3 . LYS A 1 25 ? 5.892 24.289 21.934 1.00 0.00 ? 25 LYS A HD3 9 ATOM 4869 H HE2 . LYS A 1 25 ? 4.860 24.535 19.698 1.00 0.00 ? 25 LYS A HE2 9 ATOM 4870 H HE3 . LYS A 1 25 ? 5.393 26.149 20.329 1.00 0.00 ? 25 LYS A HE3 9 ATOM 4871 H HZ1 . LYS A 1 25 ? 7.508 25.027 18.819 1.00 0.00 ? 25 LYS A HZ1 9 ATOM 4872 H HZ2 . LYS A 1 25 ? 6.046 24.792 17.943 1.00 0.00 ? 25 LYS A HZ2 9 ATOM 4873 H HZ3 . LYS A 1 25 ? 6.473 26.361 18.402 1.00 0.00 ? 25 LYS A HZ3 9 ATOM 4874 N N . GLU A 1 26 ? 11.065 24.312 24.816 1.00 0.00 ? 26 GLU A N 9 ATOM 4875 C CA . GLU A 1 26 ? 11.794 23.788 25.972 1.00 0.00 ? 26 GLU A CA 9 ATOM 4876 C C . GLU A 1 26 ? 12.625 24.863 26.681 1.00 0.00 ? 26 GLU A C 9 ATOM 4877 O O . GLU A 1 26 ? 13.523 24.573 27.461 1.00 0.00 ? 26 GLU A O 9 ATOM 4878 C CB . GLU A 1 26 ? 12.702 22.563 25.590 1.00 0.00 ? 26 GLU A CB 9 ATOM 4879 C CG . GLU A 1 26 ? 13.741 22.819 24.471 1.00 0.00 ? 26 GLU A CG 9 ATOM 4880 C CD . GLU A 1 26 ? 14.618 21.588 24.204 1.00 0.00 ? 26 GLU A CD 9 ATOM 4881 O OE1 . GLU A 1 26 ? 14.131 20.653 23.514 1.00 0.00 ? 26 GLU A OE1 9 ATOM 4882 O OE2 . GLU A 1 26 ? 15.784 21.575 24.687 1.00 0.00 ? 26 GLU A OE2 9 ATOM 4883 H H . GLU A 1 26 ? 11.470 24.052 23.938 1.00 0.00 ? 26 GLU A H 9 ATOM 4884 H HA . GLU A 1 26 ? 11.069 23.428 26.693 1.00 0.00 ? 26 GLU A HA 9 ATOM 4885 H HB2 . GLU A 1 26 ? 13.242 22.170 26.485 1.00 0.00 ? 26 GLU A HB2 9 ATOM 4886 H HB3 . GLU A 1 26 ? 12.048 21.740 25.226 1.00 0.00 ? 26 GLU A HB3 9 ATOM 4887 H HG2 . GLU A 1 26 ? 13.214 23.071 23.536 1.00 0.00 ? 26 GLU A HG2 9 ATOM 4888 H HG3 . GLU A 1 26 ? 14.399 23.670 24.745 1.00 0.00 ? 26 GLU A HG3 9 ATOM 4889 N N . ALA A 1 27 ? 12.301 26.160 26.423 1.00 0.00 ? 27 ALA A N 9 ATOM 4890 C CA . ALA A 1 27 ? 12.787 27.361 27.069 1.00 0.00 ? 27 ALA A CA 9 ATOM 4891 C C . ALA A 1 27 ? 11.919 27.771 28.249 1.00 0.00 ? 27 ALA A C 9 ATOM 4892 O O . ALA A 1 27 ? 12.418 28.383 29.193 1.00 0.00 ? 27 ALA A O 9 ATOM 4893 C CB . ALA A 1 27 ? 12.887 28.547 26.071 1.00 0.00 ? 27 ALA A CB 9 ATOM 4894 H H . ALA A 1 27 ? 11.587 26.313 25.744 1.00 0.00 ? 27 ALA A H 9 ATOM 4895 H HA . ALA A 1 27 ? 13.781 27.160 27.447 1.00 0.00 ? 27 ALA A HA 9 ATOM 4896 H HB1 . ALA A 1 27 ? 13.585 28.256 25.256 1.00 0.00 ? 27 ALA A HB1 9 ATOM 4897 H HB2 . ALA A 1 27 ? 11.906 28.800 25.607 1.00 0.00 ? 27 ALA A HB2 9 ATOM 4898 H HB3 . ALA A 1 27 ? 13.299 29.465 26.549 1.00 0.00 ? 27 ALA A HB3 9 ATOM 4899 N N . GLU A 1 28 ? 10.591 27.415 28.253 1.00 0.00 ? 28 GLU A N 9 ATOM 4900 C CA . GLU A 1 28 ? 9.576 27.824 29.237 1.00 0.00 ? 28 GLU A CA 9 ATOM 4901 C C . GLU A 1 28 ? 9.580 26.993 30.516 1.00 0.00 ? 28 GLU A C 9 ATOM 4902 O O . GLU A 1 28 ? 8.732 27.153 31.395 1.00 0.00 ? 28 GLU A O 9 ATOM 4903 C CB . GLU A 1 28 ? 8.123 27.788 28.660 1.00 0.00 ? 28 GLU A CB 9 ATOM 4904 C CG . GLU A 1 28 ? 7.778 28.933 27.690 1.00 0.00 ? 28 GLU A CG 9 ATOM 4905 C CD . GLU A 1 28 ? 6.290 28.796 27.354 1.00 0.00 ? 28 GLU A CD 9 ATOM 4906 O OE1 . GLU A 1 28 ? 5.435 29.322 28.117 1.00 0.00 ? 28 GLU A OE1 9 ATOM 4907 O OE2 . GLU A 1 28 ? 6.026 28.088 26.345 1.00 0.00 ? 28 GLU A OE2 9 ATOM 4908 H H . GLU A 1 28 ? 10.215 26.888 27.488 1.00 0.00 ? 28 GLU A H 9 ATOM 4909 H HA . GLU A 1 28 ? 9.771 28.847 29.533 1.00 0.00 ? 28 GLU A HA 9 ATOM 4910 H HB2 . GLU A 1 28 ? 7.922 26.823 28.138 1.00 0.00 ? 28 GLU A HB2 9 ATOM 4911 H HB3 . GLU A 1 28 ? 7.361 27.900 29.470 1.00 0.00 ? 28 GLU A HB3 9 ATOM 4912 H HG2 . GLU A 1 28 ? 7.956 29.918 28.170 1.00 0.00 ? 28 GLU A HG2 9 ATOM 4913 H HG3 . GLU A 1 28 ? 8.384 28.873 26.760 1.00 0.00 ? 28 GLU A HG3 9 ATOM 4914 N N . GLU A 1 29 ? 10.601 26.110 30.667 1.00 0.00 ? 29 GLU A N 9 ATOM 4915 C CA . GLU A 1 29 ? 10.873 25.258 31.815 1.00 0.00 ? 29 GLU A CA 9 ATOM 4916 C C . GLU A 1 29 ? 11.581 26.044 32.901 1.00 0.00 ? 29 GLU A C 9 ATOM 4917 O O . GLU A 1 29 ? 11.363 25.848 34.090 1.00 0.00 ? 29 GLU A O 9 ATOM 4918 C CB . GLU A 1 29 ? 11.663 23.969 31.413 1.00 0.00 ? 29 GLU A CB 9 ATOM 4919 C CG . GLU A 1 29 ? 12.935 24.141 30.534 1.00 0.00 ? 29 GLU A CG 9 ATOM 4920 C CD . GLU A 1 29 ? 14.250 24.067 31.323 1.00 0.00 ? 29 GLU A CD 9 ATOM 4921 O OE1 . GLU A 1 29 ? 14.384 24.858 32.293 1.00 0.00 ? 29 GLU A OE1 9 ATOM 4922 O OE2 . GLU A 1 29 ? 15.138 23.240 30.968 1.00 0.00 ? 29 GLU A OE2 9 ATOM 4923 H H . GLU A 1 29 ? 11.249 26.032 29.913 1.00 0.00 ? 29 GLU A H 9 ATOM 4924 H HA . GLU A 1 29 ? 9.928 24.930 32.230 1.00 0.00 ? 29 GLU A HA 9 ATOM 4925 H HB2 . GLU A 1 29 ? 11.892 23.327 32.295 1.00 0.00 ? 29 GLU A HB2 9 ATOM 4926 H HB3 . GLU A 1 29 ? 10.960 23.380 30.787 1.00 0.00 ? 29 GLU A HB3 9 ATOM 4927 H HG2 . GLU A 1 29 ? 12.969 23.295 29.814 1.00 0.00 ? 29 GLU A HG2 9 ATOM 4928 H HG3 . GLU A 1 29 ? 12.942 25.072 29.934 1.00 0.00 ? 29 GLU A HG3 9 ATOM 4929 N N . ALA A 1 30 ? 12.372 27.064 32.484 1.00 0.00 ? 30 ALA A N 9 ATOM 4930 C CA . ALA A 1 30 ? 13.225 27.913 33.302 1.00 0.00 ? 30 ALA A CA 9 ATOM 4931 C C . ALA A 1 30 ? 12.449 29.026 33.978 1.00 0.00 ? 30 ALA A C 9 ATOM 4932 O O . ALA A 1 30 ? 12.863 29.577 34.994 1.00 0.00 ? 30 ALA A O 9 ATOM 4933 C CB . ALA A 1 30 ? 14.342 28.549 32.434 1.00 0.00 ? 30 ALA A CB 9 ATOM 4934 H H . ALA A 1 30 ? 12.512 27.164 31.506 1.00 0.00 ? 30 ALA A H 9 ATOM 4935 H HA . ALA A 1 30 ? 13.686 27.295 34.065 1.00 0.00 ? 30 ALA A HA 9 ATOM 4936 H HB1 . ALA A 1 30 ? 14.936 27.739 31.951 1.00 0.00 ? 30 ALA A HB1 9 ATOM 4937 H HB2 . ALA A 1 30 ? 13.927 29.186 31.621 1.00 0.00 ? 30 ALA A HB2 9 ATOM 4938 H HB3 . ALA A 1 30 ? 15.049 29.159 33.041 1.00 0.00 ? 30 ALA A HB3 9 ATOM 4939 N N . ALA A 1 31 ? 11.239 29.318 33.428 1.00 0.00 ? 31 ALA A N 9 ATOM 4940 C CA . ALA A 1 31 ? 10.233 30.200 33.980 1.00 0.00 ? 31 ALA A CA 9 ATOM 4941 C C . ALA A 1 31 ? 9.271 29.430 34.864 1.00 0.00 ? 31 ALA A C 9 ATOM 4942 O O . ALA A 1 31 ? 8.350 30.031 35.423 1.00 0.00 ? 31 ALA A O 9 ATOM 4943 C CB . ALA A 1 31 ? 9.416 30.923 32.879 1.00 0.00 ? 31 ALA A CB 9 ATOM 4944 H H . ALA A 1 31 ? 10.957 28.799 32.623 1.00 0.00 ? 31 ALA A H 9 ATOM 4945 H HA . ALA A 1 31 ? 10.708 30.959 34.587 1.00 0.00 ? 31 ALA A HA 9 ATOM 4946 H HB1 . ALA A 1 31 ? 10.103 31.477 32.203 1.00 0.00 ? 31 ALA A HB1 9 ATOM 4947 H HB2 . ALA A 1 31 ? 8.841 30.204 32.251 1.00 0.00 ? 31 ALA A HB2 9 ATOM 4948 H HB3 . ALA A 1 31 ? 8.711 31.665 33.323 1.00 0.00 ? 31 ALA A HB3 9 ATOM 4949 N N . LYS A 1 32 ? 9.451 28.084 34.997 1.00 0.00 ? 32 LYS A N 9 ATOM 4950 C CA . LYS A 1 32 ? 8.501 27.221 35.671 1.00 0.00 ? 32 LYS A CA 9 ATOM 4951 C C . LYS A 1 32 ? 9.171 26.341 36.705 1.00 0.00 ? 32 LYS A C 9 ATOM 4952 O O . LYS A 1 32 ? 8.995 26.503 37.906 1.00 0.00 ? 32 LYS A O 9 ATOM 4953 C CB . LYS A 1 32 ? 7.700 26.364 34.637 1.00 0.00 ? 32 LYS A CB 9 ATOM 4954 C CG . LYS A 1 32 ? 6.403 25.741 35.170 1.00 0.00 ? 32 LYS A CG 9 ATOM 4955 C CD . LYS A 1 32 ? 5.718 24.819 34.148 1.00 0.00 ? 32 LYS A CD 9 ATOM 4956 C CE . LYS A 1 32 ? 4.345 24.341 34.617 1.00 0.00 ? 32 LYS A CE 9 ATOM 4957 N NZ . LYS A 1 32 ? 3.398 25.474 34.538 1.00 0.00 ? 32 LYS A NZ 9 ATOM 4958 H H . LYS A 1 32 ? 10.218 27.605 34.562 1.00 0.00 ? 32 LYS A H 9 ATOM 4959 H HA . LYS A 1 32 ? 7.810 27.828 36.237 1.00 0.00 ? 32 LYS A HA 9 ATOM 4960 H HB2 . LYS A 1 32 ? 7.395 27.033 33.802 1.00 0.00 ? 32 LYS A HB2 9 ATOM 4961 H HB3 . LYS A 1 32 ? 8.323 25.567 34.173 1.00 0.00 ? 32 LYS A HB3 9 ATOM 4962 H HG2 . LYS A 1 32 ? 6.609 25.107 36.061 1.00 0.00 ? 32 LYS A HG2 9 ATOM 4963 H HG3 . LYS A 1 32 ? 5.748 26.572 35.510 1.00 0.00 ? 32 LYS A HG3 9 ATOM 4964 H HD2 . LYS A 1 32 ? 5.648 25.305 33.148 1.00 0.00 ? 32 LYS A HD2 9 ATOM 4965 H HD3 . LYS A 1 32 ? 6.369 23.926 34.028 1.00 0.00 ? 32 LYS A HD3 9 ATOM 4966 H HE2 . LYS A 1 32 ? 3.950 23.517 33.982 1.00 0.00 ? 32 LYS A HE2 9 ATOM 4967 H HE3 . LYS A 1 32 ? 4.399 23.994 35.672 1.00 0.00 ? 32 LYS A HE3 9 ATOM 4968 H HZ1 . LYS A 1 32 ? 3.947 26.359 34.492 1.00 0.00 ? 32 LYS A HZ1 9 ATOM 4969 H HZ2 . LYS A 1 32 ? 2.820 25.380 33.680 1.00 0.00 ? 32 LYS A HZ2 9 ATOM 4970 H HZ3 . LYS A 1 32 ? 2.785 25.492 35.378 1.00 0.00 ? 32 LYS A HZ3 9 ATOM 4971 N N . GLU A 1 33 ? 9.952 25.336 36.274 1.00 0.00 ? 33 GLU A N 9 ATOM 4972 C CA . GLU A 1 33 ? 10.413 24.235 37.102 1.00 0.00 ? 33 GLU A CA 9 ATOM 4973 C C . GLU A 1 33 ? 11.836 24.421 37.557 1.00 0.00 ? 33 GLU A C 9 ATOM 4974 O O . GLU A 1 33 ? 12.397 23.551 38.221 1.00 0.00 ? 33 GLU A O 9 ATOM 4975 C CB . GLU A 1 33 ? 10.132 22.881 36.412 1.00 0.00 ? 33 GLU A CB 9 ATOM 4976 C CG . GLU A 1 33 ? 8.633 22.544 36.547 1.00 0.00 ? 33 GLU A CG 9 ATOM 4977 C CD . GLU A 1 33 ? 8.134 21.723 35.379 1.00 0.00 ? 33 GLU A CD 9 ATOM 4978 O OE1 . GLU A 1 33 ? 8.101 22.289 34.254 1.00 0.00 ? 33 GLU A OE1 9 ATOM 4979 O OE2 . GLU A 1 33 ? 7.743 20.550 35.595 1.00 0.00 ? 33 GLU A OE2 9 ATOM 4980 H H . GLU A 1 33 ? 10.282 25.311 35.318 1.00 0.00 ? 33 GLU A H 9 ATOM 4981 H HA . GLU A 1 33 ? 9.847 24.204 38.024 1.00 0.00 ? 33 GLU A HA 9 ATOM 4982 H HB2 . GLU A 1 33 ? 10.419 22.967 35.341 1.00 0.00 ? 33 GLU A HB2 9 ATOM 4983 H HB3 . GLU A 1 33 ? 10.702 22.031 36.850 1.00 0.00 ? 33 GLU A HB3 9 ATOM 4984 H HG2 . GLU A 1 33 ? 8.469 22.004 37.503 1.00 0.00 ? 33 GLU A HG2 9 ATOM 4985 H HG3 . GLU A 1 33 ? 8.029 23.472 36.566 1.00 0.00 ? 33 GLU A HG3 9 ATOM 4986 N N . ALA A 1 34 ? 12.419 25.613 37.258 1.00 0.00 ? 34 ALA A N 9 ATOM 4987 C CA . ALA A 1 34 ? 13.449 26.271 38.054 1.00 0.00 ? 34 ALA A CA 9 ATOM 4988 C C . ALA A 1 34 ? 12.908 27.253 39.070 1.00 0.00 ? 34 ALA A C 9 ATOM 4989 O O . ALA A 1 34 ? 13.030 27.055 40.275 1.00 0.00 ? 34 ALA A O 9 ATOM 4990 C CB . ALA A 1 34 ? 14.557 26.920 37.192 1.00 0.00 ? 34 ALA A CB 9 ATOM 4991 H H . ALA A 1 34 ? 11.942 26.186 36.599 1.00 0.00 ? 34 ALA A H 9 ATOM 4992 H HA . ALA A 1 34 ? 13.918 25.517 38.682 1.00 0.00 ? 34 ALA A HA 9 ATOM 4993 H HB1 . ALA A 1 34 ? 14.989 26.141 36.531 1.00 0.00 ? 34 ALA A HB1 9 ATOM 4994 H HB2 . ALA A 1 34 ? 14.166 27.730 36.537 1.00 0.00 ? 34 ALA A HB2 9 ATOM 4995 H HB3 . ALA A 1 34 ? 15.388 27.325 37.811 1.00 0.00 ? 34 ALA A HB3 9 ATOM 4996 N N . VAL A 1 35 ? 12.338 28.396 38.594 1.00 0.00 ? 35 VAL A N 9 ATOM 4997 C CA . VAL A 1 35 ? 12.240 29.620 39.391 1.00 0.00 ? 35 VAL A CA 9 ATOM 4998 C C . VAL A 1 35 ? 10.920 29.770 40.103 1.00 0.00 ? 35 VAL A C 9 ATOM 4999 O O . VAL A 1 35 ? 10.704 30.745 40.820 1.00 0.00 ? 35 VAL A O 9 ATOM 5000 C CB . VAL A 1 35 ? 12.514 30.891 38.570 1.00 0.00 ? 35 VAL A CB 9 ATOM 5001 C CG1 . VAL A 1 35 ? 13.883 30.728 37.886 1.00 0.00 ? 35 VAL A CG1 9 ATOM 5002 C CG2 . VAL A 1 35 ? 11.422 31.212 37.513 1.00 0.00 ? 35 VAL A CG2 9 ATOM 5003 H H . VAL A 1 35 ? 12.210 28.532 37.615 1.00 0.00 ? 35 VAL A H 9 ATOM 5004 H HA . VAL A 1 35 ? 12.996 29.608 40.169 1.00 0.00 ? 35 VAL A HA 9 ATOM 5005 H HB . VAL A 1 35 ? 12.595 31.767 39.257 1.00 0.00 ? 35 VAL A HB 9 ATOM 5006 H HG11 . VAL A 1 35 ? 14.664 30.478 38.633 1.00 0.00 ? 35 VAL A HG11 9 ATOM 5007 H HG12 . VAL A 1 35 ? 13.855 29.927 37.120 1.00 0.00 ? 35 VAL A HG12 9 ATOM 5008 H HG13 . VAL A 1 35 ? 14.158 31.672 37.374 1.00 0.00 ? 35 VAL A HG13 9 ATOM 5009 H HG21 . VAL A 1 35 ? 11.311 30.369 36.802 1.00 0.00 ? 35 VAL A HG21 9 ATOM 5010 H HG22 . VAL A 1 35 ? 10.433 31.434 37.965 1.00 0.00 ? 35 VAL A HG22 9 ATOM 5011 H HG23 . VAL A 1 35 ? 11.726 32.114 36.937 1.00 0.00 ? 35 VAL A HG23 9 ATOM 5012 N N . ASN A 1 36 ? 9.973 28.839 39.861 1.00 0.00 ? 36 ASN A N 9 ATOM 5013 C CA . ASN A 1 36 ? 8.582 29.044 40.184 1.00 0.00 ? 36 ASN A CA 9 ATOM 5014 C C . ASN A 1 36 ? 8.151 27.984 41.159 1.00 0.00 ? 36 ASN A C 9 ATOM 5015 O O . ASN A 1 36 ? 8.105 28.234 42.362 1.00 0.00 ? 36 ASN A O 9 ATOM 5016 C CB . ASN A 1 36 ? 7.771 29.030 38.867 1.00 0.00 ? 36 ASN A CB 9 ATOM 5017 C CG . ASN A 1 36 ? 6.483 29.773 38.957 1.00 0.00 ? 36 ASN A CG 9 ATOM 5018 O OD1 . ASN A 1 36 ? 5.705 29.625 39.902 1.00 0.00 ? 36 ASN A OD1 9 ATOM 5019 N ND2 . ASN A 1 36 ? 6.222 30.550 37.883 1.00 0.00 ? 36 ASN A ND2 9 ATOM 5020 H H . ASN A 1 36 ? 10.188 28.023 39.325 1.00 0.00 ? 36 ASN A H 9 ATOM 5021 H HA . ASN A 1 36 ? 8.427 29.998 40.677 1.00 0.00 ? 36 ASN A HA 9 ATOM 5022 H HB2 . ASN A 1 36 ? 8.425 29.482 38.087 1.00 0.00 ? 36 ASN A HB2 9 ATOM 5023 H HB3 . ASN A 1 36 ? 7.467 28.031 38.508 1.00 0.00 ? 36 ASN A HB3 9 ATOM 5024 H HD21 . ASN A 1 36 ? 6.890 30.611 37.135 1.00 0.00 ? 36 ASN A HD21 9 ATOM 5025 H HD22 . ASN A 1 36 ? 5.325 30.966 37.804 1.00 0.00 ? 36 ASN A HD22 9 ATOM 5026 N N . LEU A 1 37 ? 7.788 26.778 40.637 1.00 0.00 ? 37 LEU A N 9 ATOM 5027 C CA . LEU A 1 37 ? 7.370 25.588 41.372 1.00 0.00 ? 37 LEU A CA 9 ATOM 5028 C C . LEU A 1 37 ? 6.019 25.725 42.079 1.00 0.00 ? 37 LEU A C 9 ATOM 5029 O O . LEU A 1 37 ? 5.741 24.986 43.020 1.00 0.00 ? 37 LEU A O 9 ATOM 5030 C CB . LEU A 1 37 ? 8.470 24.986 42.331 1.00 0.00 ? 37 LEU A CB 9 ATOM 5031 C CG . LEU A 1 37 ? 9.675 24.266 41.681 1.00 0.00 ? 37 LEU A CG 9 ATOM 5032 C CD1 . LEU A 1 37 ? 9.242 23.098 40.772 1.00 0.00 ? 37 LEU A CD1 9 ATOM 5033 C CD2 . LEU A 1 37 ? 10.639 25.216 40.970 1.00 0.00 ? 37 LEU A CD2 9 ATOM 5034 H H . LEU A 1 37 ? 7.911 26.619 39.653 1.00 0.00 ? 37 LEU A H 9 ATOM 5035 H HA . LEU A 1 37 ? 7.199 24.843 40.610 1.00 0.00 ? 37 LEU A HA 9 ATOM 5036 H HB2 . LEU A 1 37 ? 8.867 25.784 42.994 1.00 0.00 ? 37 LEU A HB2 9 ATOM 5037 H HB3 . LEU A 1 37 ? 8.042 24.193 42.976 1.00 0.00 ? 37 LEU A HB3 9 ATOM 5038 H HG . LEU A 1 37 ? 10.253 23.823 42.524 1.00 0.00 ? 37 LEU A HG 9 ATOM 5039 H HD11 . LEU A 1 37 ? 8.538 22.426 41.306 1.00 0.00 ? 37 LEU A HD11 9 ATOM 5040 H HD12 . LEU A 1 37 ? 8.721 23.488 39.871 1.00 0.00 ? 37 LEU A HD12 9 ATOM 5041 H HD13 . LEU A 1 37 ? 10.118 22.507 40.434 1.00 0.00 ? 37 LEU A HD13 9 ATOM 5042 H HD21 . LEU A 1 37 ? 10.944 26.055 41.631 1.00 0.00 ? 37 LEU A HD21 9 ATOM 5043 H HD22 . LEU A 1 37 ? 11.547 24.672 40.633 1.00 0.00 ? 37 LEU A HD22 9 ATOM 5044 H HD23 . LEU A 1 37 ? 10.157 25.654 40.073 1.00 0.00 ? 37 LEU A HD23 9 ATOM 5045 N N . LYS A 1 38 ? 5.152 26.676 41.636 1.00 0.00 ? 38 LYS A N 9 ATOM 5046 C CA . LYS A 1 38 ? 3.800 26.827 42.121 1.00 0.00 ? 38 LYS A CA 9 ATOM 5047 C C . LYS A 1 38 ? 2.878 26.557 40.912 1.00 0.00 ? 38 LYS A C 9 ATOM 5048 O O . LYS A 1 38 ? 3.122 27.165 39.838 1.00 0.00 ? 38 LYS A O 9 ATOM 5049 C CB . LYS A 1 38 ? 3.522 28.270 42.584 1.00 0.00 ? 38 LYS A CB 9 ATOM 5050 C CG . LYS A 1 38 ? 4.408 28.751 43.756 1.00 0.00 ? 38 LYS A CG 9 ATOM 5051 C CD . LYS A 1 38 ? 4.982 30.183 43.682 1.00 0.00 ? 38 LYS A CD 9 ATOM 5052 C CE . LYS A 1 38 ? 4.093 31.247 43.012 1.00 0.00 ? 38 LYS A CE 9 ATOM 5053 N NZ . LYS A 1 38 ? 4.370 31.337 41.548 1.00 0.00 ? 38 LYS A NZ 9 ATOM 5054 O OXT . LYS A 1 38 ? 1.896 25.777 41.072 1.00 0.00 ? 38 LYS A OXT 9 ATOM 5055 H H . LYS A 1 38 ? 5.373 27.331 40.902 1.00 0.00 ? 38 LYS A H 9 ATOM 5056 H HA . LYS A 1 38 ? 3.570 26.121 42.912 1.00 0.00 ? 38 LYS A HA 9 ATOM 5057 H HB2 . LYS A 1 38 ? 3.667 28.891 41.682 1.00 0.00 ? 38 LYS A HB2 9 ATOM 5058 H HB3 . LYS A 1 38 ? 2.453 28.347 42.884 1.00 0.00 ? 38 LYS A HB3 9 ATOM 5059 H HG2 . LYS A 1 38 ? 3.788 28.666 44.676 1.00 0.00 ? 38 LYS A HG2 9 ATOM 5060 H HG3 . LYS A 1 38 ? 5.274 28.063 43.894 1.00 0.00 ? 38 LYS A HG3 9 ATOM 5061 H HD2 . LYS A 1 38 ? 5.149 30.499 44.737 1.00 0.00 ? 38 LYS A HD2 9 ATOM 5062 H HD3 . LYS A 1 38 ? 5.983 30.146 43.197 1.00 0.00 ? 38 LYS A HD3 9 ATOM 5063 H HE2 . LYS A 1 38 ? 3.013 31.034 43.170 1.00 0.00 ? 38 LYS A HE2 9 ATOM 5064 H HE3 . LYS A 1 38 ? 4.319 32.248 43.435 1.00 0.00 ? 38 LYS A HE3 9 ATOM 5065 H HZ1 . LYS A 1 38 ? 4.598 30.397 41.124 1.00 0.00 ? 38 LYS A HZ1 9 ATOM 5066 H HZ2 . LYS A 1 38 ? 3.563 31.744 41.034 1.00 0.00 ? 38 LYS A HZ2 9 ATOM 5067 H HZ3 . LYS A 1 38 ? 5.217 31.916 41.390 1.00 0.00 ? 38 LYS A HZ3 9 ATOM 5068 N N . GLU A 1 1 ? -8.729 0.339 5.508 1.00 0.00 ? 1 GLU A N 10 ATOM 5069 C CA . GLU A 1 1 ? -8.954 -1.101 5.693 1.00 0.00 ? 1 GLU A CA 10 ATOM 5070 C C . GLU A 1 1 ? -7.863 -1.506 6.625 1.00 0.00 ? 1 GLU A C 10 ATOM 5071 O O . GLU A 1 1 ? -6.807 -1.960 6.200 1.00 0.00 ? 1 GLU A O 10 ATOM 5072 C CB . GLU A 1 1 ? -8.879 -1.848 4.326 1.00 0.00 ? 1 GLU A CB 10 ATOM 5073 C CG . GLU A 1 1 ? -9.979 -1.463 3.310 1.00 0.00 ? 1 GLU A CG 10 ATOM 5074 C CD . GLU A 1 1 ? -9.734 -0.074 2.744 1.00 0.00 ? 1 GLU A CD 10 ATOM 5075 O OE1 . GLU A 1 1 ? -10.086 0.900 3.466 1.00 0.00 ? 1 GLU A OE1 10 ATOM 5076 O OE2 . GLU A 1 1 ? -9.098 0.029 1.673 1.00 0.00 ? 1 GLU A OE2 10 ATOM 5077 H H1 . GLU A 1 1 ? -7.741 0.486 5.214 1.00 0.00 ? 1 GLU A H1 10 ATOM 5078 H H2 . GLU A 1 1 ? -9.358 0.668 4.715 1.00 0.00 ? 1 GLU A H2 10 ATOM 5079 H H3 . GLU A 1 1 ? -8.935 0.866 6.372 1.00 0.00 ? 1 GLU A H3 10 ATOM 5080 H HA . GLU A 1 1 ? -9.922 -1.239 6.154 1.00 0.00 ? 1 GLU A HA 10 ATOM 5081 H HB2 . GLU A 1 1 ? -7.894 -1.710 3.825 1.00 0.00 ? 1 GLU A HB2 10 ATOM 5082 H HB3 . GLU A 1 1 ? -9.001 -2.935 4.515 1.00 0.00 ? 1 GLU A HB3 10 ATOM 5083 H HG2 . GLU A 1 1 ? -9.947 -2.172 2.456 1.00 0.00 ? 1 GLU A HG2 10 ATOM 5084 H HG3 . GLU A 1 1 ? -10.986 -1.511 3.768 1.00 0.00 ? 1 GLU A HG3 10 ATOM 5085 N N . ALA A 1 2 ? -8.068 -1.252 7.935 1.00 0.00 ? 2 ALA A N 10 ATOM 5086 C CA . ALA A 1 2 ? -7.087 -1.379 8.973 1.00 0.00 ? 2 ALA A CA 10 ATOM 5087 C C . ALA A 1 2 ? -7.888 -0.828 10.112 1.00 0.00 ? 2 ALA A C 10 ATOM 5088 O O . ALA A 1 2 ? -9.018 -0.394 9.876 1.00 0.00 ? 2 ALA A O 10 ATOM 5089 C CB . ALA A 1 2 ? -5.791 -0.544 8.779 1.00 0.00 ? 2 ALA A CB 10 ATOM 5090 H H . ALA A 1 2 ? -8.922 -0.901 8.346 1.00 0.00 ? 2 ALA A H 10 ATOM 5091 H HA . ALA A 1 2 ? -6.872 -2.426 9.146 1.00 0.00 ? 2 ALA A HA 10 ATOM 5092 H HB1 . ALA A 1 2 ? -6.015 0.525 8.577 1.00 0.00 ? 2 ALA A HB1 10 ATOM 5093 H HB2 . ALA A 1 2 ? -5.115 -0.612 9.658 1.00 0.00 ? 2 ALA A HB2 10 ATOM 5094 H HB3 . ALA A 1 2 ? -5.224 -0.940 7.909 1.00 0.00 ? 2 ALA A HB3 10 ATOM 5095 N N . TYR A 1 3 ? -7.319 -0.837 11.339 1.00 0.00 ? 3 TYR A N 10 ATOM 5096 C CA . TYR A 1 3 ? -7.985 -0.512 12.583 1.00 0.00 ? 3 TYR A CA 10 ATOM 5097 C C . TYR A 1 3 ? -7.118 0.518 13.256 1.00 0.00 ? 3 TYR A C 10 ATOM 5098 O O . TYR A 1 3 ? -6.297 0.174 14.104 1.00 0.00 ? 3 TYR A O 10 ATOM 5099 C CB . TYR A 1 3 ? -8.219 -1.790 13.481 1.00 0.00 ? 3 TYR A CB 10 ATOM 5100 C CG . TYR A 1 3 ? -7.032 -2.744 13.527 1.00 0.00 ? 3 TYR A CG 10 ATOM 5101 C CD1 . TYR A 1 3 ? -6.774 -3.637 12.467 1.00 0.00 ? 3 TYR A CD1 10 ATOM 5102 C CD2 . TYR A 1 3 ? -6.124 -2.713 14.604 1.00 0.00 ? 3 TYR A CD2 10 ATOM 5103 C CE1 . TYR A 1 3 ? -5.601 -4.402 12.441 1.00 0.00 ? 3 TYR A CE1 10 ATOM 5104 C CE2 . TYR A 1 3 ? -4.956 -3.486 14.594 1.00 0.00 ? 3 TYR A CE2 10 ATOM 5105 C CZ . TYR A 1 3 ? -4.688 -4.329 13.505 1.00 0.00 ? 3 TYR A CZ 10 ATOM 5106 O OH . TYR A 1 3 ? -3.502 -5.093 13.447 1.00 0.00 ? 3 TYR A OH 10 ATOM 5107 H H . TYR A 1 3 ? -6.390 -1.181 11.475 1.00 0.00 ? 3 TYR A H 10 ATOM 5108 H HA . TYR A 1 3 ? -8.934 -0.020 12.407 1.00 0.00 ? 3 TYR A HA 10 ATOM 5109 H HB2 . TYR A 1 3 ? -8.510 -1.527 14.523 1.00 0.00 ? 3 TYR A HB2 10 ATOM 5110 H HB3 . TYR A 1 3 ? -9.066 -2.367 13.054 1.00 0.00 ? 3 TYR A HB3 10 ATOM 5111 H HD1 . TYR A 1 3 ? -7.464 -3.708 11.638 1.00 0.00 ? 3 TYR A HD1 10 ATOM 5112 H HD2 . TYR A 1 3 ? -6.297 -2.035 15.428 1.00 0.00 ? 3 TYR A HD2 10 ATOM 5113 H HE1 . TYR A 1 3 ? -5.399 -5.033 11.588 1.00 0.00 ? 3 TYR A HE1 10 ATOM 5114 H HE2 . TYR A 1 3 ? -4.259 -3.392 15.412 1.00 0.00 ? 3 TYR A HE2 10 ATOM 5115 H HH . TYR A 1 3 ? -3.104 -5.131 14.320 1.00 0.00 ? 3 TYR A HH 10 ATOM 5116 N N . LYS A 1 4 ? -7.270 1.809 12.830 1.00 0.00 ? 4 LYS A N 10 ATOM 5117 C CA . LYS A 1 4 ? -6.529 3.007 13.220 1.00 0.00 ? 4 LYS A CA 10 ATOM 5118 C C . LYS A 1 4 ? -5.634 3.372 12.061 1.00 0.00 ? 4 LYS A C 10 ATOM 5119 O O . LYS A 1 4 ? -5.575 4.520 11.634 1.00 0.00 ? 4 LYS A O 10 ATOM 5120 C CB . LYS A 1 4 ? -5.710 2.876 14.531 1.00 0.00 ? 4 LYS A CB 10 ATOM 5121 C CG . LYS A 1 4 ? -4.967 4.063 15.119 1.00 0.00 ? 4 LYS A CG 10 ATOM 5122 C CD . LYS A 1 4 ? -4.009 3.661 16.267 1.00 0.00 ? 4 LYS A CD 10 ATOM 5123 C CE . LYS A 1 4 ? -4.601 2.780 17.393 1.00 0.00 ? 4 LYS A CE 10 ATOM 5124 N NZ . LYS A 1 4 ? -4.748 1.339 17.000 1.00 0.00 ? 4 LYS A NZ 10 ATOM 5125 H H . LYS A 1 4 ? -7.952 2.000 12.128 1.00 0.00 ? 4 LYS A H 10 ATOM 5126 H HA . LYS A 1 4 ? -7.260 3.792 13.349 1.00 0.00 ? 4 LYS A HA 10 ATOM 5127 H HB2 . LYS A 1 4 ? -6.433 2.550 15.305 1.00 0.00 ? 4 LYS A HB2 10 ATOM 5128 H HB3 . LYS A 1 4 ? -4.936 2.091 14.400 1.00 0.00 ? 4 LYS A HB3 10 ATOM 5129 H HG2 . LYS A 1 4 ? -4.364 4.533 14.314 1.00 0.00 ? 4 LYS A HG2 10 ATOM 5130 H HG3 . LYS A 1 4 ? -5.722 4.800 15.460 1.00 0.00 ? 4 LYS A HG3 10 ATOM 5131 H HD2 . LYS A 1 4 ? -3.124 3.158 15.823 1.00 0.00 ? 4 LYS A HD2 10 ATOM 5132 H HD3 . LYS A 1 4 ? -3.651 4.611 16.726 1.00 0.00 ? 4 LYS A HD3 10 ATOM 5133 H HE2 . LYS A 1 4 ? -3.911 2.803 18.262 1.00 0.00 ? 4 LYS A HE2 10 ATOM 5134 H HE3 . LYS A 1 4 ? -5.588 3.171 17.719 1.00 0.00 ? 4 LYS A HE3 10 ATOM 5135 H HZ1 . LYS A 1 4 ? -3.818 0.968 16.717 1.00 0.00 ? 4 LYS A HZ1 10 ATOM 5136 H HZ2 . LYS A 1 4 ? -5.117 0.787 17.801 1.00 0.00 ? 4 LYS A HZ2 10 ATOM 5137 H HZ3 . LYS A 1 4 ? -5.405 1.239 16.190 1.00 0.00 ? 4 LYS A HZ3 10 ATOM 5138 N N . LYS A 1 5 ? -4.920 2.323 11.563 1.00 0.00 ? 5 LYS A N 10 ATOM 5139 C CA . LYS A 1 5 ? -3.876 2.235 10.556 1.00 0.00 ? 5 LYS A CA 10 ATOM 5140 C C . LYS A 1 5 ? -2.580 2.094 11.313 1.00 0.00 ? 5 LYS A C 10 ATOM 5141 O O . LYS A 1 5 ? -2.577 1.641 12.461 1.00 0.00 ? 5 LYS A O 10 ATOM 5142 C CB . LYS A 1 5 ? -3.824 3.337 9.449 1.00 0.00 ? 5 LYS A CB 10 ATOM 5143 C CG . LYS A 1 5 ? -4.971 3.242 8.439 1.00 0.00 ? 5 LYS A CG 10 ATOM 5144 C CD . LYS A 1 5 ? -5.068 4.536 7.619 1.00 0.00 ? 5 LYS A CD 10 ATOM 5145 C CE . LYS A 1 5 ? -5.495 4.333 6.162 1.00 0.00 ? 5 LYS A CE 10 ATOM 5146 N NZ . LYS A 1 5 ? -5.571 5.635 5.439 1.00 0.00 ? 5 LYS A NZ 10 ATOM 5147 H H . LYS A 1 5 ? -5.064 1.453 12.024 1.00 0.00 ? 5 LYS A H 10 ATOM 5148 H HA . LYS A 1 5 ? -4.032 1.290 10.057 1.00 0.00 ? 5 LYS A HA 10 ATOM 5149 H HB2 . LYS A 1 5 ? -3.820 4.345 9.921 1.00 0.00 ? 5 LYS A HB2 10 ATOM 5150 H HB3 . LYS A 1 5 ? -2.922 3.263 8.801 1.00 0.00 ? 5 LYS A HB3 10 ATOM 5151 H HG2 . LYS A 1 5 ? -4.772 2.357 7.795 1.00 0.00 ? 5 LYS A HG2 10 ATOM 5152 H HG3 . LYS A 1 5 ? -5.931 3.061 8.973 1.00 0.00 ? 5 LYS A HG3 10 ATOM 5153 H HD2 . LYS A 1 5 ? -5.769 5.207 8.165 1.00 0.00 ? 5 LYS A HD2 10 ATOM 5154 H HD3 . LYS A 1 5 ? -4.064 5.015 7.625 1.00 0.00 ? 5 LYS A HD3 10 ATOM 5155 H HE2 . LYS A 1 5 ? -4.735 3.707 5.646 1.00 0.00 ? 5 LYS A HE2 10 ATOM 5156 H HE3 . LYS A 1 5 ? -6.489 3.839 6.097 1.00 0.00 ? 5 LYS A HE3 10 ATOM 5157 H HZ1 . LYS A 1 5 ? -6.235 6.282 5.914 1.00 0.00 ? 5 LYS A HZ1 10 ATOM 5158 H HZ2 . LYS A 1 5 ? -4.625 6.068 5.407 1.00 0.00 ? 5 LYS A HZ2 10 ATOM 5159 H HZ3 . LYS A 1 5 ? -5.898 5.480 4.464 1.00 0.00 ? 5 LYS A HZ3 10 ATOM 5160 N N . ALA A 1 6 ? -1.446 2.466 10.663 1.00 0.00 ? 6 ALA A N 10 ATOM 5161 C CA . ALA A 1 6 ? -0.126 2.625 11.226 1.00 0.00 ? 6 ALA A CA 10 ATOM 5162 C C . ALA A 1 6 ? 0.062 4.062 11.671 1.00 0.00 ? 6 ALA A C 10 ATOM 5163 O O . ALA A 1 6 ? -0.807 4.913 11.473 1.00 0.00 ? 6 ALA A O 10 ATOM 5164 C CB . ALA A 1 6 ? 0.964 2.248 10.185 1.00 0.00 ? 6 ALA A CB 10 ATOM 5165 H H . ALA A 1 6 ? -1.493 2.823 9.739 1.00 0.00 ? 6 ALA A H 10 ATOM 5166 H HA . ALA A 1 6 ? -0.019 1.984 12.090 1.00 0.00 ? 6 ALA A HA 10 ATOM 5167 H HB1 . ALA A 1 6 ? 0.797 1.202 9.843 1.00 0.00 ? 6 ALA A HB1 10 ATOM 5168 H HB2 . ALA A 1 6 ? 0.912 2.905 9.289 1.00 0.00 ? 6 ALA A HB2 10 ATOM 5169 H HB3 . ALA A 1 6 ? 1.999 2.295 10.597 1.00 0.00 ? 6 ALA A HB3 10 ATOM 5170 N N . LYS A 1 7 ? 1.273 4.355 12.206 1.00 0.00 ? 7 LYS A N 10 ATOM 5171 C CA . LYS A 1 7 ? 1.843 5.653 12.446 1.00 0.00 ? 7 LYS A CA 10 ATOM 5172 C C . LYS A 1 7 ? 2.801 5.854 11.282 1.00 0.00 ? 7 LYS A C 10 ATOM 5173 O O . LYS A 1 7 ? 3.895 5.288 11.264 1.00 0.00 ? 7 LYS A O 10 ATOM 5174 C CB . LYS A 1 7 ? 2.588 5.660 13.809 1.00 0.00 ? 7 LYS A CB 10 ATOM 5175 C CG . LYS A 1 7 ? 1.728 5.268 15.021 1.00 0.00 ? 7 LYS A CG 10 ATOM 5176 C CD . LYS A 1 7 ? 2.628 4.976 16.232 1.00 0.00 ? 7 LYS A CD 10 ATOM 5177 C CE . LYS A 1 7 ? 1.896 4.823 17.576 1.00 0.00 ? 7 LYS A CE 10 ATOM 5178 N NZ . LYS A 1 7 ? 2.878 4.588 18.669 1.00 0.00 ? 7 LYS A NZ 10 ATOM 5179 H H . LYS A 1 7 ? 1.939 3.629 12.336 1.00 0.00 ? 7 LYS A H 10 ATOM 5180 H HA . LYS A 1 7 ? 1.086 6.425 12.433 1.00 0.00 ? 7 LYS A HA 10 ATOM 5181 H HB2 . LYS A 1 7 ? 3.457 4.961 13.778 1.00 0.00 ? 7 LYS A HB2 10 ATOM 5182 H HB3 . LYS A 1 7 ? 2.985 6.672 14.029 1.00 0.00 ? 7 LYS A HB3 10 ATOM 5183 H HG2 . LYS A 1 7 ? 1.025 6.102 15.243 1.00 0.00 ? 7 LYS A HG2 10 ATOM 5184 H HG3 . LYS A 1 7 ? 1.131 4.354 14.809 1.00 0.00 ? 7 LYS A HG3 10 ATOM 5185 H HD2 . LYS A 1 7 ? 3.204 4.048 16.011 1.00 0.00 ? 7 LYS A HD2 10 ATOM 5186 H HD3 . LYS A 1 7 ? 3.351 5.825 16.286 1.00 0.00 ? 7 LYS A HD3 10 ATOM 5187 H HE2 . LYS A 1 7 ? 1.334 5.755 17.811 1.00 0.00 ? 7 LYS A HE2 10 ATOM 5188 H HE3 . LYS A 1 7 ? 1.190 3.964 17.550 1.00 0.00 ? 7 LYS A HE3 10 ATOM 5189 H HZ1 . LYS A 1 7 ? 3.491 3.778 18.437 1.00 0.00 ? 7 LYS A HZ1 10 ATOM 5190 H HZ2 . LYS A 1 7 ? 3.475 5.432 18.786 1.00 0.00 ? 7 LYS A HZ2 10 ATOM 5191 H HZ3 . LYS A 1 7 ? 2.379 4.395 19.561 1.00 0.00 ? 7 LYS A HZ3 10 ATOM 5192 N N . GLN A 1 8 ? 2.327 6.569 10.228 1.00 0.00 ? 8 GLN A N 10 ATOM 5193 C CA . GLN A 1 8 ? 3.033 6.881 9.002 1.00 0.00 ? 8 GLN A CA 10 ATOM 5194 C C . GLN A 1 8 ? 2.636 8.323 8.719 1.00 0.00 ? 8 GLN A C 10 ATOM 5195 O O . GLN A 1 8 ? 2.921 9.203 9.530 1.00 0.00 ? 8 GLN A O 10 ATOM 5196 C CB . GLN A 1 8 ? 2.659 5.922 7.827 1.00 0.00 ? 8 GLN A CB 10 ATOM 5197 C CG . GLN A 1 8 ? 3.103 4.446 7.977 1.00 0.00 ? 8 GLN A CG 10 ATOM 5198 C CD . GLN A 1 8 ? 4.612 4.272 7.830 1.00 0.00 ? 8 GLN A CD 10 ATOM 5199 O OE1 . GLN A 1 8 ? 5.151 4.140 6.733 1.00 0.00 ? 8 GLN A OE1 10 ATOM 5200 N NE2 . GLN A 1 8 ? 5.335 4.280 8.969 1.00 0.00 ? 8 GLN A NE2 10 ATOM 5201 H H . GLN A 1 8 ? 1.391 6.913 10.234 1.00 0.00 ? 8 GLN A H 10 ATOM 5202 H HA . GLN A 1 8 ? 4.104 6.873 9.171 1.00 0.00 ? 8 GLN A HA 10 ATOM 5203 H HB2 . GLN A 1 8 ? 1.554 5.884 7.691 1.00 0.00 ? 8 GLN A HB2 10 ATOM 5204 H HB3 . GLN A 1 8 ? 3.113 6.290 6.888 1.00 0.00 ? 8 GLN A HB3 10 ATOM 5205 H HG2 . GLN A 1 8 ? 2.754 4.037 8.948 1.00 0.00 ? 8 GLN A HG2 10 ATOM 5206 H HG3 . GLN A 1 8 ? 2.644 3.841 7.166 1.00 0.00 ? 8 GLN A HG3 10 ATOM 5207 H HE21 . GLN A 1 8 ? 4.898 4.566 9.839 1.00 0.00 ? 8 GLN A HE21 10 ATOM 5208 H HE22 . GLN A 1 8 ? 6.309 4.075 8.921 1.00 0.00 ? 8 GLN A HE22 10 ATOM 5209 N N . ALA A 1 9 ? 1.898 8.618 7.599 1.00 0.00 ? 9 ALA A N 10 ATOM 5210 C CA . ALA A 1 9 ? 1.415 9.950 7.222 1.00 0.00 ? 9 ALA A CA 10 ATOM 5211 C C . ALA A 1 9 ? 0.156 10.289 8.004 1.00 0.00 ? 9 ALA A C 10 ATOM 5212 O O . ALA A 1 9 ? -0.945 9.880 7.646 1.00 0.00 ? 9 ALA A O 10 ATOM 5213 C CB . ALA A 1 9 ? 1.162 10.075 5.697 1.00 0.00 ? 9 ALA A CB 10 ATOM 5214 H H . ALA A 1 9 ? 1.652 7.911 6.949 1.00 0.00 ? 9 ALA A H 10 ATOM 5215 H HA . ALA A 1 9 ? 2.175 10.673 7.457 1.00 0.00 ? 9 ALA A HA 10 ATOM 5216 H HB1 . ALA A 1 9 ? 2.099 9.838 5.146 1.00 0.00 ? 9 ALA A HB1 10 ATOM 5217 H HB2 . ALA A 1 9 ? 0.371 9.389 5.324 1.00 0.00 ? 9 ALA A HB2 10 ATOM 5218 H HB3 . ALA A 1 9 ? 0.886 11.113 5.419 1.00 0.00 ? 9 ALA A HB3 10 ATOM 5219 N N . SER A 1 10 ? 0.366 10.941 9.163 1.00 0.00 ? 10 SER A N 10 ATOM 5220 C CA . SER A 1 10 ? -0.447 10.863 10.348 1.00 0.00 ? 10 SER A CA 10 ATOM 5221 C C . SER A 1 10 ? 0.517 11.483 11.316 1.00 0.00 ? 10 SER A C 10 ATOM 5222 O O . SER A 1 10 ? 1.229 12.410 10.930 1.00 0.00 ? 10 SER A O 10 ATOM 5223 C CB . SER A 1 10 ? -0.902 9.401 10.737 1.00 0.00 ? 10 SER A CB 10 ATOM 5224 O OG . SER A 1 10 ? -1.530 9.313 12.022 1.00 0.00 ? 10 SER A OG 10 ATOM 5225 H H . SER A 1 10 ? 1.240 11.384 9.362 1.00 0.00 ? 10 SER A H 10 ATOM 5226 H HA . SER A 1 10 ? -1.284 11.532 10.265 1.00 0.00 ? 10 SER A HA 10 ATOM 5227 H HB2 . SER A 1 10 ? -1.629 9.062 9.965 1.00 0.00 ? 10 SER A HB2 10 ATOM 5228 H HB3 . SER A 1 10 ? -0.033 8.709 10.707 1.00 0.00 ? 10 SER A HB3 10 ATOM 5229 H HG . SER A 1 10 ? -2.141 8.572 12.000 1.00 0.00 ? 10 SER A HG 10 ATOM 5230 N N . GLN A 1 11 ? 0.554 10.938 12.563 1.00 0.00 ? 11 GLN A N 10 ATOM 5231 C CA . GLN A 1 11 ? 1.103 11.474 13.789 1.00 0.00 ? 11 GLN A CA 10 ATOM 5232 C C . GLN A 1 11 ? 2.590 11.450 13.795 1.00 0.00 ? 11 GLN A C 10 ATOM 5233 O O . GLN A 1 11 ? 3.228 12.343 14.324 1.00 0.00 ? 11 GLN A O 10 ATOM 5234 C CB . GLN A 1 11 ? 0.554 10.788 15.073 1.00 0.00 ? 11 GLN A CB 10 ATOM 5235 C CG . GLN A 1 11 ? 0.983 9.316 15.346 1.00 0.00 ? 11 GLN A CG 10 ATOM 5236 C CD . GLN A 1 11 ? 1.473 9.188 16.785 1.00 0.00 ? 11 GLN A CD 10 ATOM 5237 O OE1 . GLN A 1 11 ? 0.766 9.630 17.684 1.00 0.00 ? 11 GLN A OE1 10 ATOM 5238 N NE2 . GLN A 1 11 ? 2.670 8.614 17.047 1.00 0.00 ? 11 GLN A NE2 10 ATOM 5239 H H . GLN A 1 11 ? -0.070 10.155 12.685 1.00 0.00 ? 11 GLN A H 10 ATOM 5240 H HA . GLN A 1 11 ? 0.813 12.514 13.844 1.00 0.00 ? 11 GLN A HA 10 ATOM 5241 H HB2 . GLN A 1 11 ? 0.806 11.451 15.934 1.00 0.00 ? 11 GLN A HB2 10 ATOM 5242 H HB3 . GLN A 1 11 ? -0.556 10.800 15.016 1.00 0.00 ? 11 GLN A HB3 10 ATOM 5243 H HG2 . GLN A 1 11 ? 0.089 8.676 15.210 1.00 0.00 ? 11 GLN A HG2 10 ATOM 5244 H HG3 . GLN A 1 11 ? 1.783 8.940 14.677 1.00 0.00 ? 11 GLN A HG3 10 ATOM 5245 H HE21 . GLN A 1 11 ? 3.320 8.414 16.269 1.00 0.00 ? 11 GLN A HE21 10 ATOM 5246 H HE22 . GLN A 1 11 ? 3.057 8.741 17.957 1.00 0.00 ? 11 GLN A HE22 10 ATOM 5247 N N . ASP A 1 12 ? 3.199 10.458 13.119 1.00 0.00 ? 12 ASP A N 10 ATOM 5248 C CA . ASP A 1 12 ? 4.637 10.295 13.033 1.00 0.00 ? 12 ASP A CA 10 ATOM 5249 C C . ASP A 1 12 ? 5.193 11.114 11.901 1.00 0.00 ? 12 ASP A C 10 ATOM 5250 O O . ASP A 1 12 ? 6.372 11.451 11.903 1.00 0.00 ? 12 ASP A O 10 ATOM 5251 C CB . ASP A 1 12 ? 5.027 8.815 12.820 1.00 0.00 ? 12 ASP A CB 10 ATOM 5252 C CG . ASP A 1 12 ? 5.128 8.043 14.116 1.00 0.00 ? 12 ASP A CG 10 ATOM 5253 O OD1 . ASP A 1 12 ? 4.446 8.405 15.116 1.00 0.00 ? 12 ASP A OD1 10 ATOM 5254 O OD2 . ASP A 1 12 ? 5.891 7.047 14.120 1.00 0.00 ? 12 ASP A OD2 10 ATOM 5255 H H . ASP A 1 12 ? 2.655 9.770 12.651 1.00 0.00 ? 12 ASP A H 10 ATOM 5256 H HA . ASP A 1 12 ? 5.102 10.662 13.939 1.00 0.00 ? 12 ASP A HA 10 ATOM 5257 H HB2 . ASP A 1 12 ? 4.321 8.315 12.123 1.00 0.00 ? 12 ASP A HB2 10 ATOM 5258 H HB3 . ASP A 1 12 ? 6.050 8.733 12.409 1.00 0.00 ? 12 ASP A HB3 10 ATOM 5259 N N . ALA A 1 13 ? 4.327 11.546 10.948 1.00 0.00 ? 13 ALA A N 10 ATOM 5260 C CA . ALA A 1 13 ? 4.666 12.544 9.937 1.00 0.00 ? 13 ALA A CA 10 ATOM 5261 C C . ALA A 1 13 ? 4.473 13.944 10.480 1.00 0.00 ? 13 ALA A C 10 ATOM 5262 O O . ALA A 1 13 ? 5.201 14.859 10.103 1.00 0.00 ? 13 ALA A O 10 ATOM 5263 C CB . ALA A 1 13 ? 3.814 12.427 8.655 1.00 0.00 ? 13 ALA A CB 10 ATOM 5264 H H . ALA A 1 13 ? 3.384 11.212 10.948 1.00 0.00 ? 13 ALA A H 10 ATOM 5265 H HA . ALA A 1 13 ? 5.706 12.429 9.640 1.00 0.00 ? 13 ALA A HA 10 ATOM 5266 H HB1 . ALA A 1 13 ? 3.927 11.397 8.260 1.00 0.00 ? 13 ALA A HB1 10 ATOM 5267 H HB2 . ALA A 1 13 ? 2.733 12.616 8.838 1.00 0.00 ? 13 ALA A HB2 10 ATOM 5268 H HB3 . ALA A 1 13 ? 4.157 13.135 7.865 1.00 0.00 ? 13 ALA A HB3 10 ATOM 5269 N N . GLU A 1 14 ? 3.495 14.110 11.409 1.00 0.00 ? 14 GLU A N 10 ATOM 5270 C CA . GLU A 1 14 ? 3.038 15.379 11.923 1.00 0.00 ? 14 GLU A CA 10 ATOM 5271 C C . GLU A 1 14 ? 3.818 15.805 13.139 1.00 0.00 ? 14 GLU A C 10 ATOM 5272 O O . GLU A 1 14 ? 4.208 16.965 13.286 1.00 0.00 ? 14 GLU A O 10 ATOM 5273 C CB . GLU A 1 14 ? 1.564 15.247 12.313 1.00 0.00 ? 14 GLU A CB 10 ATOM 5274 C CG . GLU A 1 14 ? 0.882 16.530 12.803 1.00 0.00 ? 14 GLU A CG 10 ATOM 5275 C CD . GLU A 1 14 ? -0.377 16.127 13.535 1.00 0.00 ? 14 GLU A CD 10 ATOM 5276 O OE1 . GLU A 1 14 ? -0.721 14.911 13.536 1.00 0.00 ? 14 GLU A OE1 10 ATOM 5277 O OE2 . GLU A 1 14 ? -1.017 17.044 14.101 1.00 0.00 ? 14 GLU A OE2 10 ATOM 5278 H H . GLU A 1 14 ? 2.902 13.331 11.628 1.00 0.00 ? 14 GLU A H 10 ATOM 5279 H HA . GLU A 1 14 ? 3.140 16.141 11.165 1.00 0.00 ? 14 GLU A HA 10 ATOM 5280 H HB2 . GLU A 1 14 ? 0.983 14.891 11.432 1.00 0.00 ? 14 GLU A HB2 10 ATOM 5281 H HB3 . GLU A 1 14 ? 1.485 14.444 13.085 1.00 0.00 ? 14 GLU A HB3 10 ATOM 5282 H HG2 . GLU A 1 14 ? 1.496 17.094 13.527 1.00 0.00 ? 14 GLU A HG2 10 ATOM 5283 H HG3 . GLU A 1 14 ? 0.626 17.185 11.948 1.00 0.00 ? 14 GLU A HG3 10 ATOM 5284 N N . GLN A 1 15 ? 4.137 14.855 14.067 1.00 0.00 ? 15 GLN A N 10 ATOM 5285 C CA . GLN A 1 15 ? 4.926 15.058 15.280 1.00 0.00 ? 15 GLN A CA 10 ATOM 5286 C C . GLN A 1 15 ? 6.367 15.333 14.905 1.00 0.00 ? 15 GLN A C 10 ATOM 5287 O O . GLN A 1 15 ? 7.057 16.040 15.602 1.00 0.00 ? 15 GLN A O 10 ATOM 5288 C CB . GLN A 1 15 ? 4.880 13.879 16.313 1.00 0.00 ? 15 GLN A CB 10 ATOM 5289 C CG . GLN A 1 15 ? 5.179 14.215 17.804 1.00 0.00 ? 15 GLN A CG 10 ATOM 5290 C CD . GLN A 1 15 ? 4.008 14.940 18.502 1.00 0.00 ? 15 GLN A CD 10 ATOM 5291 O OE1 . GLN A 1 15 ? 4.234 15.742 19.406 1.00 0.00 ? 15 GLN A OE1 10 ATOM 5292 N NE2 . GLN A 1 15 ? 2.749 14.692 18.066 1.00 0.00 ? 15 GLN A NE2 10 ATOM 5293 H H . GLN A 1 15 ? 3.786 13.909 13.974 1.00 0.00 ? 15 GLN A H 10 ATOM 5294 H HA . GLN A 1 15 ? 4.532 15.934 15.781 1.00 0.00 ? 15 GLN A HA 10 ATOM 5295 H HB2 . GLN A 1 15 ? 3.869 13.445 16.277 1.00 0.00 ? 15 GLN A HB2 10 ATOM 5296 H HB3 . GLN A 1 15 ? 5.543 13.045 15.996 1.00 0.00 ? 15 GLN A HB3 10 ATOM 5297 H HG2 . GLN A 1 15 ? 5.361 13.272 18.365 1.00 0.00 ? 15 GLN A HG2 10 ATOM 5298 H HG3 . GLN A 1 15 ? 6.097 14.836 17.895 1.00 0.00 ? 15 GLN A HG3 10 ATOM 5299 H HE21 . GLN A 1 15 ? 2.621 14.113 17.267 1.00 0.00 ? 15 GLN A HE21 10 ATOM 5300 H HE22 . GLN A 1 15 ? 1.966 15.092 18.544 1.00 0.00 ? 15 GLN A HE22 10 ATOM 5301 N N . ALA A 1 16 ? 6.824 14.909 13.699 1.00 0.00 ? 16 ALA A N 10 ATOM 5302 C CA . ALA A 1 16 ? 8.126 15.240 13.114 1.00 0.00 ? 16 ALA A CA 10 ATOM 5303 C C . ALA A 1 16 ? 8.182 16.625 12.457 1.00 0.00 ? 16 ALA A C 10 ATOM 5304 O O . ALA A 1 16 ? 9.223 17.042 11.957 1.00 0.00 ? 16 ALA A O 10 ATOM 5305 C CB . ALA A 1 16 ? 8.608 14.160 12.109 1.00 0.00 ? 16 ALA A CB 10 ATOM 5306 H H . ALA A 1 16 ? 6.220 14.335 13.159 1.00 0.00 ? 16 ALA A H 10 ATOM 5307 H HA . ALA A 1 16 ? 8.853 15.253 13.915 1.00 0.00 ? 16 ALA A HA 10 ATOM 5308 H HB1 . ALA A 1 16 ? 8.629 13.166 12.602 1.00 0.00 ? 16 ALA A HB1 10 ATOM 5309 H HB2 . ALA A 1 16 ? 7.945 14.069 11.220 1.00 0.00 ? 16 ALA A HB2 10 ATOM 5310 H HB3 . ALA A 1 16 ? 9.639 14.361 11.748 1.00 0.00 ? 16 ALA A HB3 10 ATOM 5311 N N . ALA A 1 17 ? 7.042 17.384 12.480 1.00 0.00 ? 17 ALA A N 10 ATOM 5312 C CA . ALA A 1 17 ? 7.010 18.836 12.316 1.00 0.00 ? 17 ALA A CA 10 ATOM 5313 C C . ALA A 1 17 ? 7.098 19.507 13.674 1.00 0.00 ? 17 ALA A C 10 ATOM 5314 O O . ALA A 1 17 ? 7.814 20.488 13.862 1.00 0.00 ? 17 ALA A O 10 ATOM 5315 C CB . ALA A 1 17 ? 5.723 19.342 11.608 1.00 0.00 ? 17 ALA A CB 10 ATOM 5316 H H . ALA A 1 17 ? 6.170 16.982 12.775 1.00 0.00 ? 17 ALA A H 10 ATOM 5317 H HA . ALA A 1 17 ? 7.859 19.162 11.726 1.00 0.00 ? 17 ALA A HA 10 ATOM 5318 H HB1 . ALA A 1 17 ? 5.617 18.840 10.625 1.00 0.00 ? 17 ALA A HB1 10 ATOM 5319 H HB2 . ALA A 1 17 ? 4.795 19.120 12.182 1.00 0.00 ? 17 ALA A HB2 10 ATOM 5320 H HB3 . ALA A 1 17 ? 5.757 20.438 11.420 1.00 0.00 ? 17 ALA A HB3 10 ATOM 5321 N N . LYS A 1 18 ? 6.326 18.969 14.651 1.00 0.00 ? 18 LYS A N 10 ATOM 5322 C CA . LYS A 1 18 ? 6.049 19.552 15.954 1.00 0.00 ? 18 LYS A CA 10 ATOM 5323 C C . LYS A 1 18 ? 7.144 19.278 16.970 1.00 0.00 ? 18 LYS A C 10 ATOM 5324 O O . LYS A 1 18 ? 7.314 20.025 17.929 1.00 0.00 ? 18 LYS A O 10 ATOM 5325 C CB . LYS A 1 18 ? 4.687 19.054 16.511 1.00 0.00 ? 18 LYS A CB 10 ATOM 5326 C CG . LYS A 1 18 ? 4.215 19.753 17.796 1.00 0.00 ? 18 LYS A CG 10 ATOM 5327 C CD . LYS A 1 18 ? 2.792 19.359 18.192 1.00 0.00 ? 18 LYS A CD 10 ATOM 5328 C CE . LYS A 1 18 ? 2.326 20.079 19.466 1.00 0.00 ? 18 LYS A CE 10 ATOM 5329 N NZ . LYS A 1 18 ? 0.894 19.790 19.768 1.00 0.00 ? 18 LYS A NZ 10 ATOM 5330 H H . LYS A 1 18 ? 5.815 18.131 14.463 1.00 0.00 ? 18 LYS A H 10 ATOM 5331 H HA . LYS A 1 18 ? 5.971 20.628 15.843 1.00 0.00 ? 18 LYS A HA 10 ATOM 5332 H HB2 . LYS A 1 18 ? 3.918 19.261 15.733 1.00 0.00 ? 18 LYS A HB2 10 ATOM 5333 H HB3 . LYS A 1 18 ? 4.704 17.958 16.701 1.00 0.00 ? 18 LYS A HB3 10 ATOM 5334 H HG2 . LYS A 1 18 ? 4.889 19.496 18.648 1.00 0.00 ? 18 LYS A HG2 10 ATOM 5335 H HG3 . LYS A 1 18 ? 4.257 20.855 17.630 1.00 0.00 ? 18 LYS A HG3 10 ATOM 5336 H HD2 . LYS A 1 18 ? 2.141 19.626 17.332 1.00 0.00 ? 18 LYS A HD2 10 ATOM 5337 H HD3 . LYS A 1 18 ? 2.761 18.257 18.329 1.00 0.00 ? 18 LYS A HD3 10 ATOM 5338 H HE2 . LYS A 1 18 ? 2.944 19.787 20.342 1.00 0.00 ? 18 LYS A HE2 10 ATOM 5339 H HE3 . LYS A 1 18 ? 2.415 21.175 19.308 1.00 0.00 ? 18 LYS A HE3 10 ATOM 5340 H HZ1 . LYS A 1 18 ? 0.453 19.365 18.922 1.00 0.00 ? 18 LYS A HZ1 10 ATOM 5341 H HZ2 . LYS A 1 18 ? 0.800 19.127 20.567 1.00 0.00 ? 18 LYS A HZ2 10 ATOM 5342 H HZ3 . LYS A 1 18 ? 0.412 20.682 20.008 1.00 0.00 ? 18 LYS A HZ3 10 ATOM 5343 N N . ASP A 1 19 ? 7.989 18.230 16.764 1.00 0.00 ? 19 ASP A N 10 ATOM 5344 C CA . ASP A 1 19 ? 9.095 17.854 17.639 1.00 0.00 ? 19 ASP A CA 10 ATOM 5345 C C . ASP A 1 19 ? 10.349 18.698 17.369 1.00 0.00 ? 19 ASP A C 10 ATOM 5346 O O . ASP A 1 19 ? 11.363 18.629 18.054 1.00 0.00 ? 19 ASP A O 10 ATOM 5347 C CB . ASP A 1 19 ? 9.322 16.300 17.607 1.00 0.00 ? 19 ASP A CB 10 ATOM 5348 C CG . ASP A 1 19 ? 9.659 15.732 18.968 1.00 0.00 ? 19 ASP A CG 10 ATOM 5349 O OD1 . ASP A 1 19 ? 8.946 16.129 19.941 1.00 0.00 ? 19 ASP A OD1 10 ATOM 5350 O OD2 . ASP A 1 19 ? 10.572 14.859 19.037 1.00 0.00 ? 19 ASP A OD2 10 ATOM 5351 H H . ASP A 1 19 ? 7.761 17.517 16.085 1.00 0.00 ? 19 ASP A H 10 ATOM 5352 H HA . ASP A 1 19 ? 8.775 18.091 18.639 1.00 0.00 ? 19 ASP A HA 10 ATOM 5353 H HB2 . ASP A 1 19 ? 8.351 15.793 17.421 1.00 0.00 ? 19 ASP A HB2 10 ATOM 5354 H HB3 . ASP A 1 19 ? 10.043 15.934 16.843 1.00 0.00 ? 19 ASP A HB3 10 ATOM 5355 N N . ALA A 1 20 ? 10.229 19.620 16.373 1.00 0.00 ? 20 ALA A N 10 ATOM 5356 C CA . ALA A 1 20 ? 11.066 20.784 16.143 1.00 0.00 ? 20 ALA A CA 10 ATOM 5357 C C . ALA A 1 20 ? 10.539 22.023 16.860 1.00 0.00 ? 20 ALA A C 10 ATOM 5358 O O . ALA A 1 20 ? 11.317 22.944 17.103 1.00 0.00 ? 20 ALA A O 10 ATOM 5359 C CB . ALA A 1 20 ? 11.237 21.084 14.625 1.00 0.00 ? 20 ALA A CB 10 ATOM 5360 H H . ALA A 1 20 ? 9.398 19.591 15.821 1.00 0.00 ? 20 ALA A H 10 ATOM 5361 H HA . ALA A 1 20 ? 12.061 20.592 16.535 1.00 0.00 ? 20 ALA A HA 10 ATOM 5362 H HB1 . ALA A 1 20 ? 10.250 21.199 14.117 1.00 0.00 ? 20 ALA A HB1 10 ATOM 5363 H HB2 . ALA A 1 20 ? 11.836 22.008 14.434 1.00 0.00 ? 20 ALA A HB2 10 ATOM 5364 H HB3 . ALA A 1 20 ? 11.765 20.230 14.144 1.00 0.00 ? 20 ALA A HB3 10 ATOM 5365 N N . GLU A 1 21 ? 9.216 22.095 17.229 1.00 0.00 ? 21 GLU A N 10 ATOM 5366 C CA . GLU A 1 21 ? 8.585 23.234 17.923 1.00 0.00 ? 21 GLU A CA 10 ATOM 5367 C C . GLU A 1 21 ? 8.666 23.037 19.435 1.00 0.00 ? 21 GLU A C 10 ATOM 5368 O O . GLU A 1 21 ? 8.654 23.990 20.219 1.00 0.00 ? 21 GLU A O 10 ATOM 5369 C CB . GLU A 1 21 ? 7.086 23.471 17.512 1.00 0.00 ? 21 GLU A CB 10 ATOM 5370 C CG . GLU A 1 21 ? 6.810 23.733 16.001 1.00 0.00 ? 21 GLU A CG 10 ATOM 5371 C CD . GLU A 1 21 ? 5.298 23.952 15.755 1.00 0.00 ? 21 GLU A CD 10 ATOM 5372 O OE1 . GLU A 1 21 ? 4.521 23.112 16.277 1.00 0.00 ? 21 GLU A OE1 10 ATOM 5373 O OE2 . GLU A 1 21 ? 4.908 24.941 15.081 1.00 0.00 ? 21 GLU A OE2 10 ATOM 5374 H H . GLU A 1 21 ? 8.601 21.320 17.073 1.00 0.00 ? 21 GLU A H 10 ATOM 5375 H HA . GLU A 1 21 ? 9.126 24.139 17.688 1.00 0.00 ? 21 GLU A HA 10 ATOM 5376 H HB2 . GLU A 1 21 ? 6.467 22.590 17.807 1.00 0.00 ? 21 GLU A HB2 10 ATOM 5377 H HB3 . GLU A 1 21 ? 6.685 24.358 18.054 1.00 0.00 ? 21 GLU A HB3 10 ATOM 5378 H HG2 . GLU A 1 21 ? 7.368 24.619 15.642 1.00 0.00 ? 21 GLU A HG2 10 ATOM 5379 H HG3 . GLU A 1 21 ? 7.131 22.854 15.406 1.00 0.00 ? 21 GLU A HG3 10 ATOM 5380 N N . ASN A 1 22 ? 8.780 21.738 19.843 1.00 0.00 ? 22 ASN A N 10 ATOM 5381 C CA . ASN A 1 22 ? 8.976 21.192 21.188 1.00 0.00 ? 22 ASN A CA 10 ATOM 5382 C C . ASN A 1 22 ? 10.354 21.493 21.746 1.00 0.00 ? 22 ASN A C 10 ATOM 5383 O O . ASN A 1 22 ? 10.469 21.678 22.949 1.00 0.00 ? 22 ASN A O 10 ATOM 5384 C CB . ASN A 1 22 ? 8.810 19.628 21.315 1.00 0.00 ? 22 ASN A CB 10 ATOM 5385 C CG . ASN A 1 22 ? 7.406 19.148 21.643 1.00 0.00 ? 22 ASN A CG 10 ATOM 5386 O OD1 . ASN A 1 22 ? 6.667 19.822 22.367 1.00 0.00 ? 22 ASN A OD1 10 ATOM 5387 N ND2 . ASN A 1 22 ? 7.028 17.915 21.184 1.00 0.00 ? 22 ASN A ND2 10 ATOM 5388 H H . ASN A 1 22 ? 8.675 21.048 19.128 1.00 0.00 ? 22 ASN A H 10 ATOM 5389 H HA . ASN A 1 22 ? 8.276 21.677 21.854 1.00 0.00 ? 22 ASN A HA 10 ATOM 5390 H HB2 . ASN A 1 22 ? 9.186 19.152 20.393 1.00 0.00 ? 22 ASN A HB2 10 ATOM 5391 H HB3 . ASN A 1 22 ? 9.356 19.204 22.191 1.00 0.00 ? 22 ASN A HB3 10 ATOM 5392 H HD21 . ASN A 1 22 ? 7.686 17.311 20.682 1.00 0.00 ? 22 ASN A HD21 10 ATOM 5393 H HD22 . ASN A 1 22 ? 6.111 17.574 21.393 1.00 0.00 ? 22 ASN A HD22 10 ATOM 5394 N N . ALA A 1 23 ? 11.436 21.596 20.928 1.00 0.00 ? 23 ALA A N 10 ATOM 5395 C CA . ALA A 1 23 ? 12.813 21.698 21.435 1.00 0.00 ? 23 ALA A CA 10 ATOM 5396 C C . ALA A 1 23 ? 13.157 23.042 22.066 1.00 0.00 ? 23 ALA A C 10 ATOM 5397 O O . ALA A 1 23 ? 13.930 23.123 23.014 1.00 0.00 ? 23 ALA A O 10 ATOM 5398 C CB . ALA A 1 23 ? 13.877 21.370 20.356 1.00 0.00 ? 23 ALA A CB 10 ATOM 5399 H H . ALA A 1 23 ? 11.340 21.472 19.944 1.00 0.00 ? 23 ALA A H 10 ATOM 5400 H HA . ALA A 1 23 ? 12.932 20.945 22.214 1.00 0.00 ? 23 ALA A HA 10 ATOM 5401 H HB1 . ALA A 1 23 ? 13.643 20.363 19.951 1.00 0.00 ? 23 ALA A HB1 10 ATOM 5402 H HB2 . ALA A 1 23 ? 13.875 22.081 19.502 1.00 0.00 ? 23 ALA A HB2 10 ATOM 5403 H HB3 . ALA A 1 23 ? 14.904 21.319 20.786 1.00 0.00 ? 23 ALA A HB3 10 ATOM 5404 N N . SER A 1 24 ? 12.532 24.148 21.586 1.00 0.00 ? 24 SER A N 10 ATOM 5405 C CA . SER A 1 24 ? 12.586 25.475 22.197 1.00 0.00 ? 24 SER A CA 10 ATOM 5406 C C . SER A 1 24 ? 11.443 25.683 23.197 1.00 0.00 ? 24 SER A C 10 ATOM 5407 O O . SER A 1 24 ? 11.349 26.735 23.822 1.00 0.00 ? 24 SER A O 10 ATOM 5408 C CB . SER A 1 24 ? 12.684 26.619 21.130 1.00 0.00 ? 24 SER A CB 10 ATOM 5409 O OG . SER A 1 24 ? 13.218 27.840 21.642 1.00 0.00 ? 24 SER A OG 10 ATOM 5410 H H . SER A 1 24 ? 11.927 24.046 20.801 1.00 0.00 ? 24 SER A H 10 ATOM 5411 H HA . SER A 1 24 ? 13.500 25.538 22.779 1.00 0.00 ? 24 SER A HA 10 ATOM 5412 H HB2 . SER A 1 24 ? 13.391 26.280 20.340 1.00 0.00 ? 24 SER A HB2 10 ATOM 5413 H HB3 . SER A 1 24 ? 11.703 26.812 20.639 1.00 0.00 ? 24 SER A HB3 10 ATOM 5414 H HG . SER A 1 24 ? 12.770 27.990 22.481 1.00 0.00 ? 24 SER A HG 10 ATOM 5415 N N . LYS A 1 25 ? 10.552 24.667 23.418 1.00 0.00 ? 25 LYS A N 10 ATOM 5416 C CA . LYS A 1 25 ? 9.495 24.615 24.424 1.00 0.00 ? 25 LYS A CA 10 ATOM 5417 C C . LYS A 1 25 ? 10.045 23.977 25.695 1.00 0.00 ? 25 LYS A C 10 ATOM 5418 O O . LYS A 1 25 ? 9.453 24.011 26.769 1.00 0.00 ? 25 LYS A O 10 ATOM 5419 C CB . LYS A 1 25 ? 8.266 23.872 23.824 1.00 0.00 ? 25 LYS A CB 10 ATOM 5420 C CG . LYS A 1 25 ? 6.992 23.724 24.644 1.00 0.00 ? 25 LYS A CG 10 ATOM 5421 C CD . LYS A 1 25 ? 6.895 22.394 25.404 1.00 0.00 ? 25 LYS A CD 10 ATOM 5422 C CE . LYS A 1 25 ? 5.870 22.328 26.564 1.00 0.00 ? 25 LYS A CE 10 ATOM 5423 N NZ . LYS A 1 25 ? 4.670 23.181 26.363 1.00 0.00 ? 25 LYS A NZ 10 ATOM 5424 H H . LYS A 1 25 ? 10.596 23.796 22.924 1.00 0.00 ? 25 LYS A H 10 ATOM 5425 H HA . LYS A 1 25 ? 9.192 25.621 24.678 1.00 0.00 ? 25 LYS A HA 10 ATOM 5426 H HB2 . LYS A 1 25 ? 7.990 24.421 22.898 1.00 0.00 ? 25 LYS A HB2 10 ATOM 5427 H HB3 . LYS A 1 25 ? 8.544 22.848 23.526 1.00 0.00 ? 25 LYS A HB3 10 ATOM 5428 H HG2 . LYS A 1 25 ? 6.934 24.598 25.313 1.00 0.00 ? 25 LYS A HG2 10 ATOM 5429 H HG3 . LYS A 1 25 ? 6.150 23.726 23.920 1.00 0.00 ? 25 LYS A HG3 10 ATOM 5430 H HD2 . LYS A 1 25 ? 6.740 21.612 24.630 1.00 0.00 ? 25 LYS A HD2 10 ATOM 5431 H HD3 . LYS A 1 25 ? 7.892 22.197 25.856 1.00 0.00 ? 25 LYS A HD3 10 ATOM 5432 H HE2 . LYS A 1 25 ? 5.556 21.280 26.784 1.00 0.00 ? 25 LYS A HE2 10 ATOM 5433 H HE3 . LYS A 1 25 ? 6.355 22.754 27.473 1.00 0.00 ? 25 LYS A HE3 10 ATOM 5434 H HZ1 . LYS A 1 25 ? 4.137 22.974 25.492 1.00 0.00 ? 25 LYS A HZ1 10 ATOM 5435 H HZ2 . LYS A 1 25 ? 4.057 23.070 27.188 1.00 0.00 ? 25 LYS A HZ2 10 ATOM 5436 H HZ3 . LYS A 1 25 ? 5.041 24.191 26.435 1.00 0.00 ? 25 LYS A HZ3 10 ATOM 5437 N N . GLU A 1 26 ? 11.286 23.428 25.598 1.00 0.00 ? 26 GLU A N 10 ATOM 5438 C CA . GLU A 1 26 ? 12.114 22.918 26.685 1.00 0.00 ? 26 GLU A CA 10 ATOM 5439 C C . GLU A 1 26 ? 12.921 24.028 27.354 1.00 0.00 ? 26 GLU A C 10 ATOM 5440 O O . GLU A 1 26 ? 13.718 23.771 28.254 1.00 0.00 ? 26 GLU A O 10 ATOM 5441 C CB . GLU A 1 26 ? 13.067 21.808 26.150 1.00 0.00 ? 26 GLU A CB 10 ATOM 5442 C CG . GLU A 1 26 ? 12.299 20.597 25.580 1.00 0.00 ? 26 GLU A CG 10 ATOM 5443 C CD . GLU A 1 26 ? 13.225 19.645 24.815 1.00 0.00 ? 26 GLU A CD 10 ATOM 5444 O OE1 . GLU A 1 26 ? 14.453 19.683 25.105 1.00 0.00 ? 26 GLU A OE1 10 ATOM 5445 O OE2 . GLU A 1 26 ? 12.734 18.877 23.947 1.00 0.00 ? 26 GLU A OE2 10 ATOM 5446 H H . GLU A 1 26 ? 11.683 23.291 24.689 1.00 0.00 ? 26 GLU A H 10 ATOM 5447 H HA . GLU A 1 26 ? 11.478 22.487 27.456 1.00 0.00 ? 26 GLU A HA 10 ATOM 5448 H HB2 . GLU A 1 26 ? 13.711 22.231 25.342 1.00 0.00 ? 26 GLU A HB2 10 ATOM 5449 H HB3 . GLU A 1 26 ? 13.748 21.430 26.945 1.00 0.00 ? 26 GLU A HB3 10 ATOM 5450 H HG2 . GLU A 1 26 ? 11.838 20.027 26.404 1.00 0.00 ? 26 GLU A HG2 10 ATOM 5451 H HG3 . GLU A 1 26 ? 11.500 20.898 24.884 1.00 0.00 ? 26 GLU A HG3 10 ATOM 5452 N N . ALA A 1 27 ? 12.694 25.304 26.937 1.00 0.00 ? 27 ALA A N 10 ATOM 5453 C CA . ALA A 1 27 ? 13.041 26.517 27.650 1.00 0.00 ? 27 ALA A CA 10 ATOM 5454 C C . ALA A 1 27 ? 11.948 27.052 28.569 1.00 0.00 ? 27 ALA A C 10 ATOM 5455 O O . ALA A 1 27 ? 12.221 27.953 29.360 1.00 0.00 ? 27 ALA A O 10 ATOM 5456 C CB . ALA A 1 27 ? 13.530 27.636 26.696 1.00 0.00 ? 27 ALA A CB 10 ATOM 5457 H H . ALA A 1 27 ? 12.178 25.432 26.090 1.00 0.00 ? 27 ALA A H 10 ATOM 5458 H HA . ALA A 1 27 ? 13.886 26.304 28.295 1.00 0.00 ? 27 ALA A HA 10 ATOM 5459 H HB1 . ALA A 1 27 ? 14.396 27.263 26.107 1.00 0.00 ? 27 ALA A HB1 10 ATOM 5460 H HB2 . ALA A 1 27 ? 12.748 27.961 25.975 1.00 0.00 ? 27 ALA A HB2 10 ATOM 5461 H HB3 . ALA A 1 27 ? 13.879 28.532 27.262 1.00 0.00 ? 27 ALA A HB3 10 ATOM 5462 N N . GLU A 1 28 ? 10.680 26.530 28.516 1.00 0.00 ? 28 GLU A N 10 ATOM 5463 C CA . GLU A 1 28 ? 9.428 27.120 29.034 1.00 0.00 ? 28 GLU A CA 10 ATOM 5464 C C . GLU A 1 28 ? 9.385 27.293 30.556 1.00 0.00 ? 28 GLU A C 10 ATOM 5465 O O . GLU A 1 28 ? 8.712 28.179 31.075 1.00 0.00 ? 28 GLU A O 10 ATOM 5466 C CB . GLU A 1 28 ? 8.166 26.342 28.513 1.00 0.00 ? 28 GLU A CB 10 ATOM 5467 C CG . GLU A 1 28 ? 6.769 26.992 28.757 1.00 0.00 ? 28 GLU A CG 10 ATOM 5468 C CD . GLU A 1 28 ? 5.614 26.260 28.036 1.00 0.00 ? 28 GLU A CD 10 ATOM 5469 O OE1 . GLU A 1 28 ? 5.838 25.308 27.240 1.00 0.00 ? 28 GLU A OE1 10 ATOM 5470 O OE2 . GLU A 1 28 ? 4.449 26.660 28.264 1.00 0.00 ? 28 GLU A OE2 10 ATOM 5471 H H . GLU A 1 28 ? 10.519 25.720 27.956 1.00 0.00 ? 28 GLU A H 10 ATOM 5472 H HA . GLU A 1 28 ? 9.369 28.114 28.607 1.00 0.00 ? 28 GLU A HA 10 ATOM 5473 H HB2 . GLU A 1 28 ? 8.278 26.248 27.412 1.00 0.00 ? 28 GLU A HB2 10 ATOM 5474 H HB3 . GLU A 1 28 ? 8.155 25.306 28.918 1.00 0.00 ? 28 GLU A HB3 10 ATOM 5475 H HG2 . GLU A 1 28 ? 6.550 26.988 29.843 1.00 0.00 ? 28 GLU A HG2 10 ATOM 5476 H HG3 . GLU A 1 28 ? 6.757 28.043 28.407 1.00 0.00 ? 28 GLU A HG3 10 ATOM 5477 N N . GLU A 1 29 ? 10.194 26.470 31.275 1.00 0.00 ? 29 GLU A N 10 ATOM 5478 C CA . GLU A 1 29 ? 10.403 26.505 32.717 1.00 0.00 ? 29 GLU A CA 10 ATOM 5479 C C . GLU A 1 29 ? 11.532 27.427 33.155 1.00 0.00 ? 29 GLU A C 10 ATOM 5480 O O . GLU A 1 29 ? 11.548 27.916 34.284 1.00 0.00 ? 29 GLU A O 10 ATOM 5481 C CB . GLU A 1 29 ? 10.667 25.072 33.281 1.00 0.00 ? 29 GLU A CB 10 ATOM 5482 C CG . GLU A 1 29 ? 9.379 24.393 33.766 1.00 0.00 ? 29 GLU A CG 10 ATOM 5483 C CD . GLU A 1 29 ? 8.954 25.073 35.067 1.00 0.00 ? 29 GLU A CD 10 ATOM 5484 O OE1 . GLU A 1 29 ? 9.470 24.627 36.119 1.00 0.00 ? 29 GLU A OE1 10 ATOM 5485 O OE2 . GLU A 1 29 ? 8.143 26.038 35.000 1.00 0.00 ? 29 GLU A OE2 10 ATOM 5486 H H . GLU A 1 29 ? 10.686 25.754 30.778 1.00 0.00 ? 29 GLU A H 10 ATOM 5487 H HA . GLU A 1 29 ? 9.513 26.909 33.185 1.00 0.00 ? 29 GLU A HA 10 ATOM 5488 H HB2 . GLU A 1 29 ? 11.141 24.448 32.494 1.00 0.00 ? 29 GLU A HB2 10 ATOM 5489 H HB3 . GLU A 1 29 ? 11.344 25.055 34.172 1.00 0.00 ? 29 GLU A HB3 10 ATOM 5490 H HG2 . GLU A 1 29 ? 8.564 24.450 33.015 1.00 0.00 ? 29 GLU A HG2 10 ATOM 5491 H HG3 . GLU A 1 29 ? 9.582 23.324 33.986 1.00 0.00 ? 29 GLU A HG3 10 ATOM 5492 N N . ALA A 1 30 ? 12.511 27.725 32.256 1.00 0.00 ? 30 ALA A N 10 ATOM 5493 C CA . ALA A 1 30 ? 13.621 28.641 32.515 1.00 0.00 ? 30 ALA A CA 10 ATOM 5494 C C . ALA A 1 30 ? 13.220 30.043 32.106 1.00 0.00 ? 30 ALA A C 10 ATOM 5495 O O . ALA A 1 30 ? 13.635 31.050 32.681 1.00 0.00 ? 30 ALA A O 10 ATOM 5496 C CB . ALA A 1 30 ? 14.881 28.218 31.721 1.00 0.00 ? 30 ALA A CB 10 ATOM 5497 H H . ALA A 1 30 ? 12.473 27.365 31.323 1.00 0.00 ? 30 ALA A H 10 ATOM 5498 H HA . ALA A 1 30 ? 13.871 28.643 33.570 1.00 0.00 ? 30 ALA A HA 10 ATOM 5499 H HB1 . ALA A 1 30 ? 15.157 27.182 32.011 1.00 0.00 ? 30 ALA A HB1 10 ATOM 5500 H HB2 . ALA A 1 30 ? 14.711 28.228 30.619 1.00 0.00 ? 30 ALA A HB2 10 ATOM 5501 H HB3 . ALA A 1 30 ? 15.746 28.877 31.957 1.00 0.00 ? 30 ALA A HB3 10 ATOM 5502 N N . ALA A 1 31 ? 12.316 30.095 31.091 1.00 0.00 ? 31 ALA A N 10 ATOM 5503 C CA . ALA A 1 31 ? 11.707 31.247 30.452 1.00 0.00 ? 31 ALA A CA 10 ATOM 5504 C C . ALA A 1 31 ? 10.410 31.643 31.126 1.00 0.00 ? 31 ALA A C 10 ATOM 5505 O O . ALA A 1 31 ? 9.517 32.211 30.494 1.00 0.00 ? 31 ALA A O 10 ATOM 5506 C CB . ALA A 1 31 ? 11.434 30.969 28.944 1.00 0.00 ? 31 ALA A CB 10 ATOM 5507 H H . ALA A 1 31 ? 12.048 29.214 30.684 1.00 0.00 ? 31 ALA A H 10 ATOM 5508 H HA . ALA A 1 31 ? 12.382 32.082 30.525 1.00 0.00 ? 31 ALA A HA 10 ATOM 5509 H HB1 . ALA A 1 31 ? 12.376 30.650 28.442 1.00 0.00 ? 31 ALA A HB1 10 ATOM 5510 H HB2 . ALA A 1 31 ? 10.685 30.152 28.802 1.00 0.00 ? 31 ALA A HB2 10 ATOM 5511 H HB3 . ALA A 1 31 ? 11.062 31.883 28.427 1.00 0.00 ? 31 ALA A HB3 10 ATOM 5512 N N . LYS A 1 32 ? 10.321 31.352 32.449 1.00 0.00 ? 32 LYS A N 10 ATOM 5513 C CA . LYS A 1 32 ? 9.245 31.712 33.346 1.00 0.00 ? 32 LYS A CA 10 ATOM 5514 C C . LYS A 1 32 ? 9.741 32.840 34.240 1.00 0.00 ? 32 LYS A C 10 ATOM 5515 O O . LYS A 1 32 ? 9.564 34.022 33.924 1.00 0.00 ? 32 LYS A O 10 ATOM 5516 C CB . LYS A 1 32 ? 8.721 30.482 34.149 1.00 0.00 ? 32 LYS A CB 10 ATOM 5517 C CG . LYS A 1 32 ? 7.303 30.626 34.745 1.00 0.00 ? 32 LYS A CG 10 ATOM 5518 C CD . LYS A 1 32 ? 6.230 29.862 33.952 1.00 0.00 ? 32 LYS A CD 10 ATOM 5519 C CE . LYS A 1 32 ? 4.804 30.189 34.438 1.00 0.00 ? 32 LYS A CE 10 ATOM 5520 N NZ . LYS A 1 32 ? 3.778 29.395 33.701 1.00 0.00 ? 32 LYS A NZ 10 ATOM 5521 H H . LYS A 1 32 ? 11.064 30.824 32.859 1.00 0.00 ? 32 LYS A H 10 ATOM 5522 H HA . LYS A 1 32 ? 8.426 32.101 32.767 1.00 0.00 ? 32 LYS A HA 10 ATOM 5523 H HB2 . LYS A 1 32 ? 8.685 29.613 33.452 1.00 0.00 ? 32 LYS A HB2 10 ATOM 5524 H HB3 . LYS A 1 32 ? 9.402 30.178 34.975 1.00 0.00 ? 32 LYS A HB3 10 ATOM 5525 H HG2 . LYS A 1 32 ? 7.312 30.208 35.779 1.00 0.00 ? 32 LYS A HG2 10 ATOM 5526 H HG3 . LYS A 1 32 ? 7.006 31.695 34.839 1.00 0.00 ? 32 LYS A HG3 10 ATOM 5527 H HD2 . LYS A 1 32 ? 6.333 30.125 32.876 1.00 0.00 ? 32 LYS A HD2 10 ATOM 5528 H HD3 . LYS A 1 32 ? 6.453 28.773 34.065 1.00 0.00 ? 32 LYS A HD3 10 ATOM 5529 H HE2 . LYS A 1 32 ? 4.698 29.978 35.525 1.00 0.00 ? 32 LYS A HE2 10 ATOM 5530 H HE3 . LYS A 1 32 ? 4.571 31.262 34.254 1.00 0.00 ? 32 LYS A HE3 10 ATOM 5531 H HZ1 . LYS A 1 32 ? 3.888 29.604 32.687 1.00 0.00 ? 32 LYS A HZ1 10 ATOM 5532 H HZ2 . LYS A 1 32 ? 3.907 28.370 33.856 1.00 0.00 ? 32 LYS A HZ2 10 ATOM 5533 H HZ3 . LYS A 1 32 ? 2.833 29.696 34.028 1.00 0.00 ? 32 LYS A HZ3 10 ATOM 5534 N N . GLU A 1 33 ? 10.439 32.501 35.363 1.00 0.00 ? 33 GLU A N 10 ATOM 5535 C CA . GLU A 1 33 ? 10.772 33.387 36.490 1.00 0.00 ? 33 GLU A CA 10 ATOM 5536 C C . GLU A 1 33 ? 11.874 34.393 36.217 1.00 0.00 ? 33 GLU A C 10 ATOM 5537 O O . GLU A 1 33 ? 12.050 35.369 36.942 1.00 0.00 ? 33 GLU A O 10 ATOM 5538 C CB . GLU A 1 33 ? 11.231 32.586 37.749 1.00 0.00 ? 33 GLU A CB 10 ATOM 5539 C CG . GLU A 1 33 ? 10.221 31.556 38.267 1.00 0.00 ? 33 GLU A CG 10 ATOM 5540 C CD . GLU A 1 33 ? 8.908 32.269 38.531 1.00 0.00 ? 33 GLU A CD 10 ATOM 5541 O OE1 . GLU A 1 33 ? 8.938 33.236 39.335 1.00 0.00 ? 33 GLU A OE1 10 ATOM 5542 O OE2 . GLU A 1 33 ? 7.884 31.873 37.927 1.00 0.00 ? 33 GLU A OE2 10 ATOM 5543 H H . GLU A 1 33 ? 10.621 31.532 35.523 1.00 0.00 ? 33 GLU A H 10 ATOM 5544 H HA . GLU A 1 33 ? 9.881 33.946 36.746 1.00 0.00 ? 33 GLU A HA 10 ATOM 5545 H HB2 . GLU A 1 33 ? 12.171 32.026 37.546 1.00 0.00 ? 33 GLU A HB2 10 ATOM 5546 H HB3 . GLU A 1 33 ? 11.430 33.275 38.607 1.00 0.00 ? 33 GLU A HB3 10 ATOM 5547 H HG2 . GLU A 1 33 ? 10.071 30.723 37.551 1.00 0.00 ? 33 GLU A HG2 10 ATOM 5548 H HG3 . GLU A 1 33 ? 10.568 31.142 39.232 1.00 0.00 ? 33 GLU A HG3 10 ATOM 5549 N N . ALA A 1 34 ? 12.657 34.144 35.149 1.00 0.00 ? 34 ALA A N 10 ATOM 5550 C CA . ALA A 1 34 ? 13.743 34.993 34.719 1.00 0.00 ? 34 ALA A CA 10 ATOM 5551 C C . ALA A 1 34 ? 13.304 36.038 33.715 1.00 0.00 ? 34 ALA A C 10 ATOM 5552 O O . ALA A 1 34 ? 13.734 37.187 33.761 1.00 0.00 ? 34 ALA A O 10 ATOM 5553 C CB . ALA A 1 34 ? 14.863 34.122 34.105 1.00 0.00 ? 34 ALA A CB 10 ATOM 5554 H H . ALA A 1 34 ? 12.471 33.327 34.607 1.00 0.00 ? 34 ALA A H 10 ATOM 5555 H HA . ALA A 1 34 ? 14.144 35.539 35.570 1.00 0.00 ? 34 ALA A HA 10 ATOM 5556 H HB1 . ALA A 1 34 ? 14.504 33.508 33.252 1.00 0.00 ? 34 ALA A HB1 10 ATOM 5557 H HB2 . ALA A 1 34 ? 15.728 34.732 33.767 1.00 0.00 ? 34 ALA A HB2 10 ATOM 5558 H HB3 . ALA A 1 34 ? 15.227 33.423 34.884 1.00 0.00 ? 34 ALA A HB3 10 ATOM 5559 N N . VAL A 1 35 ? 12.475 35.607 32.731 1.00 0.00 ? 35 VAL A N 10 ATOM 5560 C CA . VAL A 1 35 ? 12.308 36.289 31.458 1.00 0.00 ? 35 VAL A CA 10 ATOM 5561 C C . VAL A 1 35 ? 10.999 37.042 31.453 1.00 0.00 ? 35 VAL A C 10 ATOM 5562 O O . VAL A 1 35 ? 10.868 38.061 30.772 1.00 0.00 ? 35 VAL A O 10 ATOM 5563 C CB . VAL A 1 35 ? 12.407 35.313 30.275 1.00 0.00 ? 35 VAL A CB 10 ATOM 5564 C CG1 . VAL A 1 35 ? 12.497 36.054 28.921 1.00 0.00 ? 35 VAL A CG1 10 ATOM 5565 C CG2 . VAL A 1 35 ? 13.682 34.451 30.446 1.00 0.00 ? 35 VAL A CG2 10 ATOM 5566 H H . VAL A 1 35 ? 12.047 34.709 32.803 1.00 0.00 ? 35 VAL A H 10 ATOM 5567 H HA . VAL A 1 35 ? 13.093 37.028 31.320 1.00 0.00 ? 35 VAL A HA 10 ATOM 5568 H HB . VAL A 1 35 ? 11.534 34.620 30.246 1.00 0.00 ? 35 VAL A HB 10 ATOM 5569 H HG11 . VAL A 1 35 ? 13.360 36.752 28.915 1.00 0.00 ? 35 VAL A HG11 10 ATOM 5570 H HG12 . VAL A 1 35 ? 12.627 35.308 28.106 1.00 0.00 ? 35 VAL A HG12 10 ATOM 5571 H HG13 . VAL A 1 35 ? 11.570 36.634 28.719 1.00 0.00 ? 35 VAL A HG13 10 ATOM 5572 H HG21 . VAL A 1 35 ? 14.569 35.102 30.602 1.00 0.00 ? 35 VAL A HG21 10 ATOM 5573 H HG22 . VAL A 1 35 ? 13.605 33.747 31.300 1.00 0.00 ? 35 VAL A HG22 10 ATOM 5574 H HG23 . VAL A 1 35 ? 13.866 33.849 29.526 1.00 0.00 ? 35 VAL A HG23 10 ATOM 5575 N N . ASN A 1 36 ? 9.984 36.558 32.212 1.00 0.00 ? 36 ASN A N 10 ATOM 5576 C CA . ASN A 1 36 ? 8.682 37.211 32.206 1.00 0.00 ? 36 ASN A CA 10 ATOM 5577 C C . ASN A 1 36 ? 8.238 37.526 33.612 1.00 0.00 ? 36 ASN A C 10 ATOM 5578 O O . ASN A 1 36 ? 7.569 38.538 33.820 1.00 0.00 ? 36 ASN A O 10 ATOM 5579 C CB . ASN A 1 36 ? 7.639 36.475 31.303 1.00 0.00 ? 36 ASN A CB 10 ATOM 5580 C CG . ASN A 1 36 ? 6.959 35.227 31.875 1.00 0.00 ? 36 ASN A CG 10 ATOM 5581 O OD1 . ASN A 1 36 ? 5.997 35.435 32.606 1.00 0.00 ? 36 ASN A OD1 10 ATOM 5582 N ND2 . ASN A 1 36 ? 7.372 33.977 31.554 1.00 0.00 ? 36 ASN A ND2 10 ATOM 5583 H H . ASN A 1 36 ? 10.085 35.734 32.774 1.00 0.00 ? 36 ASN A H 10 ATOM 5584 H HA . ASN A 1 36 ? 8.750 38.197 31.751 1.00 0.00 ? 36 ASN A HA 10 ATOM 5585 H HB2 . ASN A 1 36 ? 6.821 37.189 31.075 1.00 0.00 ? 36 ASN A HB2 10 ATOM 5586 H HB3 . ASN A 1 36 ? 8.140 36.208 30.345 1.00 0.00 ? 36 ASN A HB3 10 ATOM 5587 H HD21 . ASN A 1 36 ? 8.215 33.818 31.028 1.00 0.00 ? 36 ASN A HD21 10 ATOM 5588 H HD22 . ASN A 1 36 ? 6.907 33.202 31.987 1.00 0.00 ? 36 ASN A HD22 10 ATOM 5589 N N . LEU A 1 37 ? 8.629 36.666 34.594 1.00 0.00 ? 37 LEU A N 10 ATOM 5590 C CA . LEU A 1 37 ? 8.491 36.845 36.035 1.00 0.00 ? 37 LEU A CA 10 ATOM 5591 C C . LEU A 1 37 ? 7.182 36.265 36.558 1.00 0.00 ? 37 LEU A C 10 ATOM 5592 O O . LEU A 1 37 ? 6.948 36.337 37.762 1.00 0.00 ? 37 LEU A O 10 ATOM 5593 C CB . LEU A 1 37 ? 8.746 38.300 36.642 1.00 0.00 ? 37 LEU A CB 10 ATOM 5594 C CG . LEU A 1 37 ? 10.222 38.772 36.839 1.00 0.00 ? 37 LEU A CG 10 ATOM 5595 C CD1 . LEU A 1 37 ? 10.860 38.219 38.135 1.00 0.00 ? 37 LEU A CD1 10 ATOM 5596 C CD2 . LEU A 1 37 ? 11.114 38.582 35.604 1.00 0.00 ? 37 LEU A CD2 10 ATOM 5597 H H . LEU A 1 37 ? 9.061 35.791 34.354 1.00 0.00 ? 37 LEU A H 10 ATOM 5598 H HA . LEU A 1 37 ? 9.273 36.232 36.461 1.00 0.00 ? 37 LEU A HA 10 ATOM 5599 H HB2 . LEU A 1 37 ? 8.209 39.074 36.054 1.00 0.00 ? 37 LEU A HB2 10 ATOM 5600 H HB3 . LEU A 1 37 ? 8.324 38.382 37.664 1.00 0.00 ? 37 LEU A HB3 10 ATOM 5601 H HG . LEU A 1 37 ? 10.190 39.869 37.003 1.00 0.00 ? 37 LEU A HG 10 ATOM 5602 H HD11 . LEU A 1 37 ? 10.877 37.109 38.141 1.00 0.00 ? 37 LEU A HD11 10 ATOM 5603 H HD12 . LEU A 1 37 ? 11.901 38.589 38.236 1.00 0.00 ? 37 LEU A HD12 10 ATOM 5604 H HD13 . LEU A 1 37 ? 10.287 38.557 39.027 1.00 0.00 ? 37 LEU A HD13 10 ATOM 5605 H HD21 . LEU A 1 37 ? 10.625 39.022 34.711 1.00 0.00 ? 37 LEU A HD21 10 ATOM 5606 H HD22 . LEU A 1 37 ? 12.102 39.074 35.737 1.00 0.00 ? 37 LEU A HD22 10 ATOM 5607 H HD23 . LEU A 1 37 ? 11.289 37.503 35.420 1.00 0.00 ? 37 LEU A HD23 10 ATOM 5608 N N . LYS A 1 38 ? 6.255 35.731 35.712 1.00 0.00 ? 38 LYS A N 10 ATOM 5609 C CA . LYS A 1 38 ? 4.905 35.405 36.130 1.00 0.00 ? 38 LYS A CA 10 ATOM 5610 C C . LYS A 1 38 ? 4.578 33.993 35.623 1.00 0.00 ? 38 LYS A C 10 ATOM 5611 O O . LYS A 1 38 ? 5.217 33.575 34.609 1.00 0.00 ? 38 LYS A O 10 ATOM 5612 C CB . LYS A 1 38 ? 3.804 36.344 35.549 1.00 0.00 ? 38 LYS A CB 10 ATOM 5613 C CG . LYS A 1 38 ? 4.008 37.878 35.621 1.00 0.00 ? 38 LYS A CG 10 ATOM 5614 C CD . LYS A 1 38 ? 3.564 38.662 36.890 1.00 0.00 ? 38 LYS A CD 10 ATOM 5615 C CE . LYS A 1 38 ? 4.545 38.747 38.083 1.00 0.00 ? 38 LYS A CE 10 ATOM 5616 N NZ . LYS A 1 38 ? 4.710 37.462 38.729 1.00 0.00 ? 38 LYS A NZ 10 ATOM 5617 O OXT . LYS A 1 38 ? 3.652 33.361 36.167 1.00 0.00 ? 38 LYS A OXT 10 ATOM 5618 H H . LYS A 1 38 ? 6.388 35.494 34.743 1.00 0.00 ? 38 LYS A H 10 ATOM 5619 H HA . LYS A 1 38 ? 4.829 35.360 37.203 1.00 0.00 ? 38 LYS A HA 10 ATOM 5620 H HB2 . LYS A 1 38 ? 3.752 36.119 34.461 1.00 0.00 ? 38 LYS A HB2 10 ATOM 5621 H HB3 . LYS A 1 38 ? 2.805 36.086 35.969 1.00 0.00 ? 38 LYS A HB3 10 ATOM 5622 H HG2 . LYS A 1 38 ? 5.039 38.145 35.296 1.00 0.00 ? 38 LYS A HG2 10 ATOM 5623 H HG3 . LYS A 1 38 ? 3.330 38.266 34.829 1.00 0.00 ? 38 LYS A HG3 10 ATOM 5624 H HD2 . LYS A 1 38 ? 3.502 39.726 36.562 1.00 0.00 ? 38 LYS A HD2 10 ATOM 5625 H HD3 . LYS A 1 38 ? 2.539 38.352 37.195 1.00 0.00 ? 38 LYS A HD3 10 ATOM 5626 H HE2 . LYS A 1 38 ? 5.565 39.018 37.733 1.00 0.00 ? 38 LYS A HE2 10 ATOM 5627 H HE3 . LYS A 1 38 ? 4.222 39.478 38.863 1.00 0.00 ? 38 LYS A HE3 10 ATOM 5628 H HZ1 . LYS A 1 38 ? 4.967 36.802 37.953 1.00 0.00 ? 38 LYS A HZ1 10 ATOM 5629 H HZ2 . LYS A 1 38 ? 5.537 37.547 39.356 1.00 0.00 ? 38 LYS A HZ2 10 ATOM 5630 H HZ3 . LYS A 1 38 ? 3.858 37.171 39.244 1.00 0.00 ? 38 LYS A HZ3 10 ATOM 5631 N N . GLU A 1 1 ? -15.430 6.975 6.736 1.00 0.00 ? 1 GLU A N 11 ATOM 5632 C CA . GLU A 1 1 ? -15.322 7.610 5.402 1.00 0.00 ? 1 GLU A CA 11 ATOM 5633 C C . GLU A 1 1 ? -14.210 6.781 4.812 1.00 0.00 ? 1 GLU A C 11 ATOM 5634 O O . GLU A 1 1 ? -14.198 5.577 5.074 1.00 0.00 ? 1 GLU A O 11 ATOM 5635 C CB . GLU A 1 1 ? -15.113 9.152 5.554 1.00 0.00 ? 1 GLU A CB 11 ATOM 5636 C CG . GLU A 1 1 ? -15.635 10.015 4.380 1.00 0.00 ? 1 GLU A CG 11 ATOM 5637 C CD . GLU A 1 1 ? -14.669 10.014 3.209 1.00 0.00 ? 1 GLU A CD 11 ATOM 5638 O OE1 . GLU A 1 1 ? -13.442 9.917 3.485 1.00 0.00 ? 1 GLU A OE1 11 ATOM 5639 O OE2 . GLU A 1 1 ? -15.134 10.056 2.046 1.00 0.00 ? 1 GLU A OE2 11 ATOM 5640 H H1 . GLU A 1 1 ? -15.228 5.959 6.569 1.00 0.00 ? 1 GLU A H1 11 ATOM 5641 H H2 . GLU A 1 1 ? -14.704 7.359 7.369 1.00 0.00 ? 1 GLU A H2 11 ATOM 5642 H H3 . GLU A 1 1 ? -16.375 7.097 7.140 1.00 0.00 ? 1 GLU A H3 11 ATOM 5643 H HA . GLU A 1 1 ? -16.235 7.389 4.866 1.00 0.00 ? 1 GLU A HA 11 ATOM 5644 H HB2 . GLU A 1 1 ? -15.762 9.501 6.387 1.00 0.00 ? 1 GLU A HB2 11 ATOM 5645 H HB3 . GLU A 1 1 ? -14.066 9.429 5.825 1.00 0.00 ? 1 GLU A HB3 11 ATOM 5646 H HG2 . GLU A 1 1 ? -16.634 9.669 4.033 1.00 0.00 ? 1 GLU A HG2 11 ATOM 5647 H HG3 . GLU A 1 1 ? -15.727 11.072 4.715 1.00 0.00 ? 1 GLU A HG3 11 ATOM 5648 N N . ALA A 1 2 ? -13.244 7.361 4.061 1.00 0.00 ? 2 ALA A N 11 ATOM 5649 C CA . ALA A 1 2 ? -12.171 6.670 3.390 1.00 0.00 ? 2 ALA A CA 11 ATOM 5650 C C . ALA A 1 2 ? -10.894 6.945 4.139 1.00 0.00 ? 2 ALA A C 11 ATOM 5651 O O . ALA A 1 2 ? -10.805 7.833 4.986 1.00 0.00 ? 2 ALA A O 11 ATOM 5652 C CB . ALA A 1 2 ? -12.003 7.154 1.921 1.00 0.00 ? 2 ALA A CB 11 ATOM 5653 H H . ALA A 1 2 ? -13.213 8.369 3.880 1.00 0.00 ? 2 ALA A H 11 ATOM 5654 H HA . ALA A 1 2 ? -12.341 5.601 3.386 1.00 0.00 ? 2 ALA A HA 11 ATOM 5655 H HB1 . ALA A 1 2 ? -11.829 8.253 1.869 1.00 0.00 ? 2 ALA A HB1 11 ATOM 5656 H HB2 . ALA A 1 2 ? -11.176 6.638 1.383 1.00 0.00 ? 2 ALA A HB2 11 ATOM 5657 H HB3 . ALA A 1 2 ? -12.940 6.953 1.360 1.00 0.00 ? 2 ALA A HB3 11 ATOM 5658 N N . TYR A 1 3 ? -9.868 6.152 3.795 1.00 0.00 ? 3 TYR A N 11 ATOM 5659 C CA . TYR A 1 3 ? -8.505 6.252 4.259 1.00 0.00 ? 3 TYR A CA 11 ATOM 5660 C C . TYR A 1 3 ? -7.756 5.503 3.185 1.00 0.00 ? 3 TYR A C 11 ATOM 5661 O O . TYR A 1 3 ? -8.125 4.382 2.838 1.00 0.00 ? 3 TYR A O 11 ATOM 5662 C CB . TYR A 1 3 ? -8.251 5.630 5.689 1.00 0.00 ? 3 TYR A CB 11 ATOM 5663 C CG . TYR A 1 3 ? -6.787 5.419 6.058 1.00 0.00 ? 3 TYR A CG 11 ATOM 5664 C CD1 . TYR A 1 3 ? -5.840 6.460 5.957 1.00 0.00 ? 3 TYR A CD1 11 ATOM 5665 C CD2 . TYR A 1 3 ? -6.332 4.131 6.391 1.00 0.00 ? 3 TYR A CD2 11 ATOM 5666 C CE1 . TYR A 1 3 ? -4.472 6.203 6.136 1.00 0.00 ? 3 TYR A CE1 11 ATOM 5667 C CE2 . TYR A 1 3 ? -4.966 3.869 6.578 1.00 0.00 ? 3 TYR A CE2 11 ATOM 5668 C CZ . TYR A 1 3 ? -4.035 4.906 6.448 1.00 0.00 ? 3 TYR A CZ 11 ATOM 5669 O OH . TYR A 1 3 ? -2.656 4.643 6.614 1.00 0.00 ? 3 TYR A OH 11 ATOM 5670 H H . TYR A 1 3 ? -10.020 5.443 3.111 1.00 0.00 ? 3 TYR A H 11 ATOM 5671 H HA . TYR A 1 3 ? -8.199 7.291 4.239 1.00 0.00 ? 3 TYR A HA 11 ATOM 5672 H HB2 . TYR A 1 3 ? -8.683 6.296 6.465 1.00 0.00 ? 3 TYR A HB2 11 ATOM 5673 H HB3 . TYR A 1 3 ? -8.776 4.649 5.752 1.00 0.00 ? 3 TYR A HB3 11 ATOM 5674 H HD1 . TYR A 1 3 ? -6.170 7.456 5.711 1.00 0.00 ? 3 TYR A HD1 11 ATOM 5675 H HD2 . TYR A 1 3 ? -7.042 3.320 6.471 1.00 0.00 ? 3 TYR A HD2 11 ATOM 5676 H HE1 . TYR A 1 3 ? -3.749 7.002 6.066 1.00 0.00 ? 3 TYR A HE1 11 ATOM 5677 H HE2 . TYR A 1 3 ? -4.655 2.863 6.823 1.00 0.00 ? 3 TYR A HE2 11 ATOM 5678 H HH . TYR A 1 3 ? -2.552 3.703 6.760 1.00 0.00 ? 3 TYR A HH 11 ATOM 5679 N N . LYS A 1 4 ? -6.652 6.110 2.688 1.00 0.00 ? 4 LYS A N 11 ATOM 5680 C CA . LYS A 1 4 ? -5.633 5.454 1.912 1.00 0.00 ? 4 LYS A CA 11 ATOM 5681 C C . LYS A 1 4 ? -4.540 6.488 1.799 1.00 0.00 ? 4 LYS A C 11 ATOM 5682 O O . LYS A 1 4 ? -4.623 7.394 0.976 1.00 0.00 ? 4 LYS A O 11 ATOM 5683 C CB . LYS A 1 4 ? -6.093 4.961 0.505 1.00 0.00 ? 4 LYS A CB 11 ATOM 5684 C CG . LYS A 1 4 ? -5.106 4.009 -0.171 1.00 0.00 ? 4 LYS A CG 11 ATOM 5685 C CD . LYS A 1 4 ? -5.732 3.234 -1.339 1.00 0.00 ? 4 LYS A CD 11 ATOM 5686 C CE . LYS A 1 4 ? -4.798 2.189 -1.967 1.00 0.00 ? 4 LYS A CE 11 ATOM 5687 N NZ . LYS A 1 4 ? -4.374 1.182 -0.958 1.00 0.00 ? 4 LYS A NZ 11 ATOM 5688 H H . LYS A 1 4 ? -6.442 7.055 2.920 1.00 0.00 ? 4 LYS A H 11 ATOM 5689 H HA . LYS A 1 4 ? -5.263 4.610 2.485 1.00 0.00 ? 4 LYS A HA 11 ATOM 5690 H HB2 . LYS A 1 4 ? -7.019 4.364 0.648 1.00 0.00 ? 4 LYS A HB2 11 ATOM 5691 H HB3 . LYS A 1 4 ? -6.363 5.805 -0.171 1.00 0.00 ? 4 LYS A HB3 11 ATOM 5692 H HG2 . LYS A 1 4 ? -4.227 4.585 -0.528 1.00 0.00 ? 4 LYS A HG2 11 ATOM 5693 H HG3 . LYS A 1 4 ? -4.768 3.302 0.616 1.00 0.00 ? 4 LYS A HG3 11 ATOM 5694 H HD2 . LYS A 1 4 ? -6.663 2.736 -0.989 1.00 0.00 ? 4 LYS A HD2 11 ATOM 5695 H HD3 . LYS A 1 4 ? -6.027 3.964 -2.125 1.00 0.00 ? 4 LYS A HD3 11 ATOM 5696 H HE2 . LYS A 1 4 ? -5.310 1.652 -2.797 1.00 0.00 ? 4 LYS A HE2 11 ATOM 5697 H HE3 . LYS A 1 4 ? -3.883 2.682 -2.365 1.00 0.00 ? 4 LYS A HE3 11 ATOM 5698 H HZ1 . LYS A 1 4 ? -3.943 1.669 -0.146 1.00 0.00 ? 4 LYS A HZ1 11 ATOM 5699 H HZ2 . LYS A 1 4 ? -5.191 0.621 -0.638 1.00 0.00 ? 4 LYS A HZ2 11 ATOM 5700 H HZ3 . LYS A 1 4 ? -3.670 0.550 -1.380 1.00 0.00 ? 4 LYS A HZ3 11 ATOM 5701 N N . LYS A 1 5 ? -3.477 6.400 2.632 1.00 0.00 ? 5 LYS A N 11 ATOM 5702 C CA . LYS A 1 5 ? -2.301 7.240 2.561 1.00 0.00 ? 5 LYS A CA 11 ATOM 5703 C C . LYS A 1 5 ? -1.275 6.235 2.986 1.00 0.00 ? 5 LYS A C 11 ATOM 5704 O O . LYS A 1 5 ? -1.631 5.291 3.688 1.00 0.00 ? 5 LYS A O 11 ATOM 5705 C CB . LYS A 1 5 ? -2.255 8.508 3.489 1.00 0.00 ? 5 LYS A CB 11 ATOM 5706 C CG . LYS A 1 5 ? -3.014 9.744 2.953 1.00 0.00 ? 5 LYS A CG 11 ATOM 5707 C CD . LYS A 1 5 ? -4.473 9.891 3.428 1.00 0.00 ? 5 LYS A CD 11 ATOM 5708 C CE . LYS A 1 5 ? -5.319 10.882 2.597 1.00 0.00 ? 5 LYS A CE 11 ATOM 5709 N NZ . LYS A 1 5 ? -4.824 12.287 2.716 1.00 0.00 ? 5 LYS A NZ 11 ATOM 5710 H H . LYS A 1 5 ? -3.318 5.636 3.270 1.00 0.00 ? 5 LYS A H 11 ATOM 5711 H HA . LYS A 1 5 ? -2.092 7.515 1.534 1.00 0.00 ? 5 LYS A HA 11 ATOM 5712 H HB2 . LYS A 1 5 ? -2.580 8.264 4.525 1.00 0.00 ? 5 LYS A HB2 11 ATOM 5713 H HB3 . LYS A 1 5 ? -1.201 8.865 3.546 1.00 0.00 ? 5 LYS A HB3 11 ATOM 5714 H HG2 . LYS A 1 5 ? -2.450 10.650 3.261 1.00 0.00 ? 5 LYS A HG2 11 ATOM 5715 H HG3 . LYS A 1 5 ? -2.993 9.682 1.842 1.00 0.00 ? 5 LYS A HG3 11 ATOM 5716 H HD2 . LYS A 1 5 ? -4.974 8.903 3.344 1.00 0.00 ? 5 LYS A HD2 11 ATOM 5717 H HD3 . LYS A 1 5 ? -4.489 10.175 4.505 1.00 0.00 ? 5 LYS A HD3 11 ATOM 5718 H HE2 . LYS A 1 5 ? -5.287 10.593 1.523 1.00 0.00 ? 5 LYS A HE2 11 ATOM 5719 H HE3 . LYS A 1 5 ? -6.377 10.865 2.939 1.00 0.00 ? 5 LYS A HE3 11 ATOM 5720 H HZ1 . LYS A 1 5 ? -3.785 12.285 2.634 1.00 0.00 ? 5 LYS A HZ1 11 ATOM 5721 H HZ2 . LYS A 1 5 ? -5.234 12.886 1.963 1.00 0.00 ? 5 LYS A HZ2 11 ATOM 5722 H HZ3 . LYS A 1 5 ? -5.088 12.687 3.642 1.00 0.00 ? 5 LYS A HZ3 11 ATOM 5723 N N . ALA A 1 6 ? -0.020 6.381 2.485 1.00 0.00 ? 6 ALA A N 11 ATOM 5724 C CA . ALA A 1 6 ? 1.125 5.545 2.793 1.00 0.00 ? 6 ALA A CA 11 ATOM 5725 C C . ALA A 1 6 ? 1.935 6.069 3.960 1.00 0.00 ? 6 ALA A C 11 ATOM 5726 O O . ALA A 1 6 ? 2.609 5.302 4.636 1.00 0.00 ? 6 ALA A O 11 ATOM 5727 C CB . ALA A 1 6 ? 2.068 5.390 1.571 1.00 0.00 ? 6 ALA A CB 11 ATOM 5728 H H . ALA A 1 6 ? 0.170 7.131 1.860 1.00 0.00 ? 6 ALA A H 11 ATOM 5729 H HA . ALA A 1 6 ? 0.777 4.555 3.069 1.00 0.00 ? 6 ALA A HA 11 ATOM 5730 H HB1 . ALA A 1 6 ? 1.506 4.953 0.719 1.00 0.00 ? 6 ALA A HB1 11 ATOM 5731 H HB2 . ALA A 1 6 ? 2.484 6.366 1.236 1.00 0.00 ? 6 ALA A HB2 11 ATOM 5732 H HB3 . ALA A 1 6 ? 2.919 4.704 1.793 1.00 0.00 ? 6 ALA A HB3 11 ATOM 5733 N N . LYS A 1 7 ? 1.932 7.415 4.172 1.00 0.00 ? 7 LYS A N 11 ATOM 5734 C CA . LYS A 1 7 ? 2.723 8.106 5.181 1.00 0.00 ? 7 LYS A CA 11 ATOM 5735 C C . LYS A 1 7 ? 1.819 8.403 6.354 1.00 0.00 ? 7 LYS A C 11 ATOM 5736 O O . LYS A 1 7 ? 2.049 7.904 7.452 1.00 0.00 ? 7 LYS A O 11 ATOM 5737 C CB . LYS A 1 7 ? 3.389 9.412 4.623 1.00 0.00 ? 7 LYS A CB 11 ATOM 5738 C CG . LYS A 1 7 ? 4.651 9.876 5.378 1.00 0.00 ? 7 LYS A CG 11 ATOM 5739 C CD . LYS A 1 7 ? 5.921 9.058 5.059 1.00 0.00 ? 7 LYS A CD 11 ATOM 5740 C CE . LYS A 1 7 ? 6.818 9.628 3.938 1.00 0.00 ? 7 LYS A CE 11 ATOM 5741 N NZ . LYS A 1 7 ? 7.430 10.930 4.327 1.00 0.00 ? 7 LYS A NZ 11 ATOM 5742 H H . LYS A 1 7 ? 1.310 7.980 3.649 1.00 0.00 ? 7 LYS A H 11 ATOM 5743 H HA . LYS A 1 7 ? 3.519 7.456 5.532 1.00 0.00 ? 7 LYS A HA 11 ATOM 5744 H HB2 . LYS A 1 7 ? 3.700 9.215 3.574 1.00 0.00 ? 7 LYS A HB2 11 ATOM 5745 H HB3 . LYS A 1 7 ? 2.679 10.269 4.582 1.00 0.00 ? 7 LYS A HB3 11 ATOM 5746 H HG2 . LYS A 1 7 ? 4.811 10.952 5.156 1.00 0.00 ? 7 LYS A HG2 11 ATOM 5747 H HG3 . LYS A 1 7 ? 4.454 9.802 6.473 1.00 0.00 ? 7 LYS A HG3 11 ATOM 5748 H HD2 . LYS A 1 7 ? 6.527 8.953 5.985 1.00 0.00 ? 7 LYS A HD2 11 ATOM 5749 H HD3 . LYS A 1 7 ? 5.617 8.026 4.768 1.00 0.00 ? 7 LYS A HD3 11 ATOM 5750 H HE2 . LYS A 1 7 ? 7.653 8.916 3.749 1.00 0.00 ? 7 LYS A HE2 11 ATOM 5751 H HE3 . LYS A 1 7 ? 6.249 9.774 2.994 1.00 0.00 ? 7 LYS A HE3 11 ATOM 5752 H HZ1 . LYS A 1 7 ? 7.599 10.938 5.353 1.00 0.00 ? 7 LYS A HZ1 11 ATOM 5753 H HZ2 . LYS A 1 7 ? 8.337 11.065 3.837 1.00 0.00 ? 7 LYS A HZ2 11 ATOM 5754 H HZ3 . LYS A 1 7 ? 6.798 11.718 4.083 1.00 0.00 ? 7 LYS A HZ3 11 ATOM 5755 N N . GLN A 1 8 ? 0.785 9.246 6.082 1.00 0.00 ? 8 GLN A N 11 ATOM 5756 C CA . GLN A 1 8 ? -0.350 9.657 6.887 1.00 0.00 ? 8 GLN A CA 11 ATOM 5757 C C . GLN A 1 8 ? -0.082 11.070 7.374 1.00 0.00 ? 8 GLN A C 11 ATOM 5758 O O . GLN A 1 8 ? 0.989 11.385 7.885 1.00 0.00 ? 8 GLN A O 11 ATOM 5759 C CB . GLN A 1 8 ? -0.829 8.640 7.966 1.00 0.00 ? 8 GLN A CB 11 ATOM 5760 C CG . GLN A 1 8 ? -2.220 8.894 8.596 1.00 0.00 ? 8 GLN A CG 11 ATOM 5761 C CD . GLN A 1 8 ? -2.797 7.629 9.252 1.00 0.00 ? 8 GLN A CD 11 ATOM 5762 O OE1 . GLN A 1 8 ? -3.907 7.264 8.870 1.00 0.00 ? 8 GLN A OE1 11 ATOM 5763 N NE2 . GLN A 1 8 ? -2.108 6.960 10.215 1.00 0.00 ? 8 GLN A NE2 11 ATOM 5764 H H . GLN A 1 8 ? 0.783 9.673 5.193 1.00 0.00 ? 8 GLN A H 11 ATOM 5765 H HA . GLN A 1 8 ? -1.161 9.722 6.178 1.00 0.00 ? 8 GLN A HA 11 ATOM 5766 H HB2 . GLN A 1 8 ? -0.897 7.656 7.450 1.00 0.00 ? 8 GLN A HB2 11 ATOM 5767 H HB3 . GLN A 1 8 ? -0.044 8.545 8.742 1.00 0.00 ? 8 GLN A HB3 11 ATOM 5768 H HG2 . GLN A 1 8 ? -2.189 9.722 9.332 1.00 0.00 ? 8 GLN A HG2 11 ATOM 5769 H HG3 . GLN A 1 8 ? -2.930 9.182 7.794 1.00 0.00 ? 8 GLN A HG3 11 ATOM 5770 H HE21 . GLN A 1 8 ? -1.237 7.313 10.591 1.00 0.00 ? 8 GLN A HE21 11 ATOM 5771 H HE22 . GLN A 1 8 ? -2.509 6.124 10.592 1.00 0.00 ? 8 GLN A HE22 11 ATOM 5772 N N . ALA A 1 9 ? -1.061 12.002 7.201 1.00 0.00 ? 9 ALA A N 11 ATOM 5773 C CA . ALA A 1 9 ? -0.938 13.427 7.505 1.00 0.00 ? 9 ALA A CA 11 ATOM 5774 C C . ALA A 1 9 ? -1.596 13.702 8.840 1.00 0.00 ? 9 ALA A C 11 ATOM 5775 O O . ALA A 1 9 ? -2.411 14.604 9.012 1.00 0.00 ? 9 ALA A O 11 ATOM 5776 C CB . ALA A 1 9 ? -1.558 14.321 6.400 1.00 0.00 ? 9 ALA A CB 11 ATOM 5777 H H . ALA A 1 9 ? -1.950 11.739 6.839 1.00 0.00 ? 9 ALA A H 11 ATOM 5778 H HA . ALA A 1 9 ? 0.106 13.700 7.598 1.00 0.00 ? 9 ALA A HA 11 ATOM 5779 H HB1 . ALA A 1 9 ? -1.058 14.124 5.427 1.00 0.00 ? 9 ALA A HB1 11 ATOM 5780 H HB2 . ALA A 1 9 ? -2.644 14.129 6.270 1.00 0.00 ? 9 ALA A HB2 11 ATOM 5781 H HB3 . ALA A 1 9 ? -1.428 15.404 6.632 1.00 0.00 ? 9 ALA A HB3 11 ATOM 5782 N N . SER A 1 10 ? -1.213 12.863 9.818 1.00 0.00 ? 10 SER A N 11 ATOM 5783 C CA . SER A 1 10 ? -1.633 12.840 11.197 1.00 0.00 ? 10 SER A CA 11 ATOM 5784 C C . SER A 1 10 ? -0.309 12.782 11.914 1.00 0.00 ? 10 SER A C 11 ATOM 5785 O O . SER A 1 10 ? 0.684 13.287 11.381 1.00 0.00 ? 10 SER A O 11 ATOM 5786 C CB . SER A 1 10 ? -2.540 11.605 11.518 1.00 0.00 ? 10 SER A CB 11 ATOM 5787 O OG . SER A 1 10 ? -3.624 11.532 10.596 1.00 0.00 ? 10 SER A OG 11 ATOM 5788 H H . SER A 1 10 ? -0.480 12.215 9.609 1.00 0.00 ? 10 SER A H 11 ATOM 5789 H HA . SER A 1 10 ? -2.113 13.774 11.460 1.00 0.00 ? 10 SER A HA 11 ATOM 5790 H HB2 . SER A 1 10 ? -1.983 10.642 11.442 1.00 0.00 ? 10 SER A HB2 11 ATOM 5791 H HB3 . SER A 1 10 ? -2.957 11.677 12.548 1.00 0.00 ? 10 SER A HB3 11 ATOM 5792 H HG . SER A 1 10 ? -3.815 12.448 10.353 1.00 0.00 ? 10 SER A HG 11 ATOM 5793 N N . GLN A 1 11 ? -0.210 12.087 13.086 1.00 0.00 ? 11 GLN A N 11 ATOM 5794 C CA . GLN A 1 11 ? 0.932 12.025 13.999 1.00 0.00 ? 11 GLN A CA 11 ATOM 5795 C C . GLN A 1 11 ? 2.190 11.404 13.405 1.00 0.00 ? 11 GLN A C 11 ATOM 5796 O O . GLN A 1 11 ? 3.307 11.645 13.837 1.00 0.00 ? 11 GLN A O 11 ATOM 5797 C CB . GLN A 1 11 ? 0.587 11.342 15.356 1.00 0.00 ? 11 GLN A CB 11 ATOM 5798 C CG . GLN A 1 11 ? 0.120 9.864 15.286 1.00 0.00 ? 11 GLN A CG 11 ATOM 5799 C CD . GLN A 1 11 ? 0.278 9.272 16.681 1.00 0.00 ? 11 GLN A CD 11 ATOM 5800 O OE1 . GLN A 1 11 ? 1.424 9.133 17.103 1.00 0.00 ? 11 GLN A OE1 11 ATOM 5801 N NE2 . GLN A 1 11 ? -0.799 8.933 17.434 1.00 0.00 ? 11 GLN A NE2 11 ATOM 5802 H H . GLN A 1 11 ? -0.984 11.555 13.400 1.00 0.00 ? 11 GLN A H 11 ATOM 5803 H HA . GLN A 1 11 ? 1.190 13.040 14.251 1.00 0.00 ? 11 GLN A HA 11 ATOM 5804 H HB2 . GLN A 1 11 ? 1.485 11.429 16.018 1.00 0.00 ? 11 GLN A HB2 11 ATOM 5805 H HB3 . GLN A 1 11 ? -0.218 11.932 15.850 1.00 0.00 ? 11 GLN A HB3 11 ATOM 5806 H HG2 . GLN A 1 11 ? -0.917 9.749 14.909 1.00 0.00 ? 11 GLN A HG2 11 ATOM 5807 H HG3 . GLN A 1 11 ? 0.786 9.265 14.630 1.00 0.00 ? 11 GLN A HG3 11 ATOM 5808 H HE21 . GLN A 1 11 ? -1.715 8.970 17.041 1.00 0.00 ? 11 GLN A HE21 11 ATOM 5809 H HE22 . GLN A 1 11 ? -0.644 8.625 18.374 1.00 0.00 ? 11 GLN A HE22 11 ATOM 5810 N N . ASP A 1 12 ? 2.045 10.647 12.298 1.00 0.00 ? 12 ASP A N 11 ATOM 5811 C CA . ASP A 1 12 ? 3.118 9.997 11.569 1.00 0.00 ? 12 ASP A CA 11 ATOM 5812 C C . ASP A 1 12 ? 3.752 10.904 10.527 1.00 0.00 ? 12 ASP A C 11 ATOM 5813 O O . ASP A 1 12 ? 4.739 10.550 9.880 1.00 0.00 ? 12 ASP A O 11 ATOM 5814 C CB . ASP A 1 12 ? 2.538 8.790 10.771 1.00 0.00 ? 12 ASP A CB 11 ATOM 5815 C CG . ASP A 1 12 ? 1.894 7.740 11.674 1.00 0.00 ? 12 ASP A CG 11 ATOM 5816 O OD1 . ASP A 1 12 ? 2.637 6.939 12.305 1.00 0.00 ? 12 ASP A OD1 11 ATOM 5817 O OD2 . ASP A 1 12 ? 0.625 7.770 11.762 1.00 0.00 ? 12 ASP A OD2 11 ATOM 5818 H H . ASP A 1 12 ? 1.136 10.401 11.971 1.00 0.00 ? 12 ASP A H 11 ATOM 5819 H HA . ASP A 1 12 ? 3.913 9.756 12.284 1.00 0.00 ? 12 ASP A HA 11 ATOM 5820 H HB2 . ASP A 1 12 ? 1.742 9.172 10.088 1.00 0.00 ? 12 ASP A HB2 11 ATOM 5821 H HB3 . ASP A 1 12 ? 3.320 8.294 10.162 1.00 0.00 ? 12 ASP A HB3 11 ATOM 5822 N N . ALA A 1 13 ? 3.216 12.135 10.372 1.00 0.00 ? 13 ALA A N 11 ATOM 5823 C CA . ALA A 1 13 ? 3.943 13.228 9.757 1.00 0.00 ? 13 ALA A CA 11 ATOM 5824 C C . ALA A 1 13 ? 4.186 14.242 10.834 1.00 0.00 ? 13 ALA A C 11 ATOM 5825 O O . ALA A 1 13 ? 5.264 14.829 10.879 1.00 0.00 ? 13 ALA A O 11 ATOM 5826 C CB . ALA A 1 13 ? 3.215 13.883 8.561 1.00 0.00 ? 13 ALA A CB 11 ATOM 5827 H H . ALA A 1 13 ? 2.346 12.355 10.825 1.00 0.00 ? 13 ALA A H 11 ATOM 5828 H HA . ALA A 1 13 ? 4.921 12.912 9.410 1.00 0.00 ? 13 ALA A HA 11 ATOM 5829 H HB1 . ALA A 1 13 ? 3.010 13.092 7.811 1.00 0.00 ? 13 ALA A HB1 11 ATOM 5830 H HB2 . ALA A 1 13 ? 2.238 14.329 8.850 1.00 0.00 ? 13 ALA A HB2 11 ATOM 5831 H HB3 . ALA A 1 13 ? 3.839 14.663 8.073 1.00 0.00 ? 13 ALA A HB3 11 ATOM 5832 N N . GLU A 1 14 ? 3.178 14.458 11.725 1.00 0.00 ? 14 GLU A N 11 ATOM 5833 C CA . GLU A 1 14 ? 3.100 15.531 12.708 1.00 0.00 ? 14 GLU A CA 11 ATOM 5834 C C . GLU A 1 14 ? 4.013 15.369 13.921 1.00 0.00 ? 14 GLU A C 11 ATOM 5835 O O . GLU A 1 14 ? 4.452 16.366 14.486 1.00 0.00 ? 14 GLU A O 11 ATOM 5836 C CB . GLU A 1 14 ? 1.631 15.766 13.176 1.00 0.00 ? 14 GLU A CB 11 ATOM 5837 C CG . GLU A 1 14 ? 1.315 17.151 13.769 1.00 0.00 ? 14 GLU A CG 11 ATOM 5838 C CD . GLU A 1 14 ? -0.108 17.163 14.329 1.00 0.00 ? 14 GLU A CD 11 ATOM 5839 O OE1 . GLU A 1 14 ? -0.315 16.440 15.341 1.00 0.00 ? 14 GLU A OE1 11 ATOM 5840 O OE2 . GLU A 1 14 ? -0.996 17.872 13.784 1.00 0.00 ? 14 GLU A OE2 11 ATOM 5841 H H . GLU A 1 14 ? 2.321 13.930 11.616 1.00 0.00 ? 14 GLU A H 11 ATOM 5842 H HA . GLU A 1 14 ? 3.405 16.436 12.198 1.00 0.00 ? 14 GLU A HA 11 ATOM 5843 H HB2 . GLU A 1 14 ? 0.972 15.688 12.284 1.00 0.00 ? 14 GLU A HB2 11 ATOM 5844 H HB3 . GLU A 1 14 ? 1.298 14.981 13.887 1.00 0.00 ? 14 GLU A HB3 11 ATOM 5845 H HG2 . GLU A 1 14 ? 2.008 17.400 14.598 1.00 0.00 ? 14 GLU A HG2 11 ATOM 5846 H HG3 . GLU A 1 14 ? 1.408 17.923 12.976 1.00 0.00 ? 14 GLU A HG3 11 ATOM 5847 N N . GLN A 1 15 ? 4.404 14.125 14.349 1.00 0.00 ? 15 GLN A N 11 ATOM 5848 C CA . GLN A 1 15 ? 5.259 13.875 15.519 1.00 0.00 ? 15 GLN A CA 11 ATOM 5849 C C . GLN A 1 15 ? 6.710 14.220 15.219 1.00 0.00 ? 15 GLN A C 11 ATOM 5850 O O . GLN A 1 15 ? 7.450 14.675 16.089 1.00 0.00 ? 15 GLN A O 11 ATOM 5851 C CB . GLN A 1 15 ? 5.184 12.400 16.049 1.00 0.00 ? 15 GLN A CB 11 ATOM 5852 C CG . GLN A 1 15 ? 5.658 12.162 17.511 1.00 0.00 ? 15 GLN A CG 11 ATOM 5853 C CD . GLN A 1 15 ? 4.667 12.786 18.504 1.00 0.00 ? 15 GLN A CD 11 ATOM 5854 O OE1 . GLN A 1 15 ? 3.477 12.843 18.202 1.00 0.00 ? 15 GLN A OE1 11 ATOM 5855 N NE2 . GLN A 1 15 ? 5.118 13.289 19.685 1.00 0.00 ? 15 GLN A NE2 11 ATOM 5856 H H . GLN A 1 15 ? 4.045 13.276 13.933 1.00 0.00 ? 15 GLN A H 11 ATOM 5857 H HA . GLN A 1 15 ? 4.917 14.526 16.316 1.00 0.00 ? 15 GLN A HA 11 ATOM 5858 H HB2 . GLN A 1 15 ? 4.137 12.032 15.968 1.00 0.00 ? 15 GLN A HB2 11 ATOM 5859 H HB3 . GLN A 1 15 ? 5.742 11.709 15.378 1.00 0.00 ? 15 GLN A HB3 11 ATOM 5860 H HG2 . GLN A 1 15 ? 5.681 11.070 17.704 1.00 0.00 ? 15 GLN A HG2 11 ATOM 5861 H HG3 . GLN A 1 15 ? 6.681 12.569 17.664 1.00 0.00 ? 15 GLN A HG3 11 ATOM 5862 H HE21 . GLN A 1 15 ? 6.076 13.189 19.961 1.00 0.00 ? 15 GLN A HE21 11 ATOM 5863 H HE22 . GLN A 1 15 ? 4.464 13.750 20.285 1.00 0.00 ? 15 GLN A HE22 11 ATOM 5864 N N . ALA A 1 16 ? 7.085 14.102 13.914 1.00 0.00 ? 16 ALA A N 11 ATOM 5865 C CA . ALA A 1 16 ? 8.398 14.399 13.357 1.00 0.00 ? 16 ALA A CA 11 ATOM 5866 C C . ALA A 1 16 ? 8.584 15.859 12.965 1.00 0.00 ? 16 ALA A C 11 ATOM 5867 O O . ALA A 1 16 ? 9.678 16.264 12.585 1.00 0.00 ? 16 ALA A O 11 ATOM 5868 C CB . ALA A 1 16 ? 8.682 13.524 12.110 1.00 0.00 ? 16 ALA A CB 11 ATOM 5869 H H . ALA A 1 16 ? 6.414 13.736 13.262 1.00 0.00 ? 16 ALA A H 11 ATOM 5870 H HA . ALA A 1 16 ? 9.154 14.165 14.096 1.00 0.00 ? 16 ALA A HA 11 ATOM 5871 H HB1 . ALA A 1 16 ? 8.579 12.450 12.374 1.00 0.00 ? 16 ALA A HB1 11 ATOM 5872 H HB2 . ALA A 1 16 ? 7.970 13.743 11.280 1.00 0.00 ? 16 ALA A HB2 11 ATOM 5873 H HB3 . ALA A 1 16 ? 9.721 13.675 11.732 1.00 0.00 ? 16 ALA A HB3 11 ATOM 5874 N N . ALA A 1 17 ? 7.499 16.683 13.038 1.00 0.00 ? 17 ALA A N 11 ATOM 5875 C CA . ALA A 1 17 ? 7.571 18.146 13.014 1.00 0.00 ? 17 ALA A CA 11 ATOM 5876 C C . ALA A 1 17 ? 7.678 18.703 14.413 1.00 0.00 ? 17 ALA A C 11 ATOM 5877 O O . ALA A 1 17 ? 8.264 19.755 14.663 1.00 0.00 ? 17 ALA A O 11 ATOM 5878 C CB . ALA A 1 17 ? 6.361 18.817 12.325 1.00 0.00 ? 17 ALA A CB 11 ATOM 5879 H H . ALA A 1 17 ? 6.589 16.293 13.184 1.00 0.00 ? 17 ALA A H 11 ATOM 5880 H HA . ALA A 1 17 ? 8.462 18.457 12.480 1.00 0.00 ? 17 ALA A HA 11 ATOM 5881 H HB1 . ALA A 1 17 ? 6.285 18.461 11.278 1.00 0.00 ? 17 ALA A HB1 11 ATOM 5882 H HB2 . ALA A 1 17 ? 5.398 18.569 12.831 1.00 0.00 ? 17 ALA A HB2 11 ATOM 5883 H HB3 . ALA A 1 17 ? 6.472 19.927 12.294 1.00 0.00 ? 17 ALA A HB3 11 ATOM 5884 N N . LYS A 1 18 ? 7.076 17.976 15.396 1.00 0.00 ? 18 LYS A N 11 ATOM 5885 C CA . LYS A 1 18 ? 6.762 18.459 16.732 1.00 0.00 ? 18 LYS A CA 11 ATOM 5886 C C . LYS A 1 18 ? 7.986 18.448 17.614 1.00 0.00 ? 18 LYS A C 11 ATOM 5887 O O . LYS A 1 18 ? 8.054 19.183 18.590 1.00 0.00 ? 18 LYS A O 11 ATOM 5888 C CB . LYS A 1 18 ? 5.619 17.646 17.427 1.00 0.00 ? 18 LYS A CB 11 ATOM 5889 C CG . LYS A 1 18 ? 4.844 18.399 18.531 1.00 0.00 ? 18 LYS A CG 11 ATOM 5890 C CD . LYS A 1 18 ? 3.832 17.489 19.264 1.00 0.00 ? 18 LYS A CD 11 ATOM 5891 C CE . LYS A 1 18 ? 2.716 18.203 20.056 1.00 0.00 ? 18 LYS A CE 11 ATOM 5892 N NZ . LYS A 1 18 ? 1.672 18.796 19.165 1.00 0.00 ? 18 LYS A NZ 11 ATOM 5893 H H . LYS A 1 18 ? 6.720 17.066 15.201 1.00 0.00 ? 18 LYS A H 11 ATOM 5894 H HA . LYS A 1 18 ? 6.415 19.483 16.642 1.00 0.00 ? 18 LYS A HA 11 ATOM 5895 H HB2 . LYS A 1 18 ? 4.856 17.419 16.654 1.00 0.00 ? 18 LYS A HB2 11 ATOM 5896 H HB3 . LYS A 1 18 ? 5.990 16.668 17.819 1.00 0.00 ? 18 LYS A HB3 11 ATOM 5897 H HG2 . LYS A 1 18 ? 5.548 18.833 19.278 1.00 0.00 ? 18 LYS A HG2 11 ATOM 5898 H HG3 . LYS A 1 18 ? 4.323 19.245 18.029 1.00 0.00 ? 18 LYS A HG3 11 ATOM 5899 H HD2 . LYS A 1 18 ? 3.367 16.785 18.540 1.00 0.00 ? 18 LYS A HD2 11 ATOM 5900 H HD3 . LYS A 1 18 ? 4.416 16.868 19.979 1.00 0.00 ? 18 LYS A HD3 11 ATOM 5901 H HE2 . LYS A 1 18 ? 2.203 17.464 20.708 1.00 0.00 ? 18 LYS A HE2 11 ATOM 5902 H HE3 . LYS A 1 18 ? 3.137 19.008 20.700 1.00 0.00 ? 18 LYS A HE3 11 ATOM 5903 H HZ1 . LYS A 1 18 ? 2.110 19.434 18.466 1.00 0.00 ? 18 LYS A HZ1 11 ATOM 5904 H HZ2 . LYS A 1 18 ? 1.160 18.036 18.667 1.00 0.00 ? 18 LYS A HZ2 11 ATOM 5905 H HZ3 . LYS A 1 18 ? 0.979 19.331 19.734 1.00 0.00 ? 18 LYS A HZ3 11 ATOM 5906 N N . ASP A 1 19 ? 9.026 17.645 17.250 1.00 0.00 ? 19 ASP A N 11 ATOM 5907 C CA . ASP A 1 19 ? 10.279 17.535 17.994 1.00 0.00 ? 19 ASP A CA 11 ATOM 5908 C C . ASP A 1 19 ? 11.311 18.550 17.509 1.00 0.00 ? 19 ASP A C 11 ATOM 5909 O O . ASP A 1 19 ? 12.383 18.716 18.084 1.00 0.00 ? 19 ASP A O 11 ATOM 5910 C CB . ASP A 1 19 ? 10.832 16.074 17.987 1.00 0.00 ? 19 ASP A CB 11 ATOM 5911 C CG . ASP A 1 19 ? 11.514 15.719 19.315 1.00 0.00 ? 19 ASP A CG 11 ATOM 5912 O OD1 . ASP A 1 19 ? 10.801 15.870 20.348 1.00 0.00 ? 19 ASP A OD1 11 ATOM 5913 O OD2 . ASP A 1 19 ? 12.683 15.242 19.315 1.00 0.00 ? 19 ASP A OD2 11 ATOM 5914 H H . ASP A 1 19 ? 8.943 17.049 16.455 1.00 0.00 ? 19 ASP A H 11 ATOM 5915 H HA . ASP A 1 19 ? 10.066 17.789 19.021 1.00 0.00 ? 19 ASP A HA 11 ATOM 5916 H HB2 . ASP A 1 19 ? 9.967 15.381 17.934 1.00 0.00 ? 19 ASP A HB2 11 ATOM 5917 H HB3 . ASP A 1 19 ? 11.499 15.851 17.126 1.00 0.00 ? 19 ASP A HB3 11 ATOM 5918 N N . ALA A 1 20 ? 10.954 19.322 16.443 1.00 0.00 ? 20 ALA A N 11 ATOM 5919 C CA . ALA A 1 20 ? 11.654 20.498 15.945 1.00 0.00 ? 20 ALA A CA 11 ATOM 5920 C C . ALA A 1 20 ? 11.138 21.782 16.582 1.00 0.00 ? 20 ALA A C 11 ATOM 5921 O O . ALA A 1 20 ? 11.922 22.683 16.867 1.00 0.00 ? 20 ALA A O 11 ATOM 5922 C CB . ALA A 1 20 ? 11.608 20.590 14.399 1.00 0.00 ? 20 ALA A CB 11 ATOM 5923 H H . ALA A 1 20 ? 10.068 19.157 16.016 1.00 0.00 ? 20 ALA A H 11 ATOM 5924 H HA . ALA A 1 20 ? 12.699 20.417 16.221 1.00 0.00 ? 20 ALA A HA 11 ATOM 5925 H HB1 . ALA A 1 20 ? 12.061 19.665 13.982 1.00 0.00 ? 20 ALA A HB1 11 ATOM 5926 H HB2 . ALA A 1 20 ? 10.564 20.647 14.021 1.00 0.00 ? 20 ALA A HB2 11 ATOM 5927 H HB3 . ALA A 1 20 ? 12.183 21.459 14.006 1.00 0.00 ? 20 ALA A HB3 11 ATOM 5928 N N . GLU A 1 21 ? 9.793 21.878 16.832 1.00 0.00 ? 21 GLU A N 11 ATOM 5929 C CA . GLU A 1 21 ? 9.090 23.004 17.458 1.00 0.00 ? 21 GLU A CA 11 ATOM 5930 C C . GLU A 1 21 ? 9.183 22.946 18.989 1.00 0.00 ? 21 GLU A C 11 ATOM 5931 O O . GLU A 1 21 ? 9.199 23.981 19.662 1.00 0.00 ? 21 GLU A O 11 ATOM 5932 C CB . GLU A 1 21 ? 7.581 23.090 17.034 1.00 0.00 ? 21 GLU A CB 11 ATOM 5933 C CG . GLU A 1 21 ? 7.310 23.395 15.530 1.00 0.00 ? 21 GLU A CG 11 ATOM 5934 C CD . GLU A 1 21 ? 5.829 23.128 15.190 1.00 0.00 ? 21 GLU A CD 11 ATOM 5935 O OE1 . GLU A 1 21 ? 5.432 21.963 15.480 1.00 0.00 ? 21 GLU A OE1 11 ATOM 5936 O OE2 . GLU A 1 21 ? 5.102 24.029 14.677 1.00 0.00 ? 21 GLU A OE2 11 ATOM 5937 H H . GLU A 1 21 ? 9.192 21.146 16.524 1.00 0.00 ? 21 GLU A H 11 ATOM 5938 H HA . GLU A 1 21 ? 9.566 23.925 17.146 1.00 0.00 ? 21 GLU A HA 11 ATOM 5939 H HB2 . GLU A 1 21 ? 7.091 22.119 17.279 1.00 0.00 ? 21 GLU A HB2 11 ATOM 5940 H HB3 . GLU A 1 21 ? 7.043 23.890 17.597 1.00 0.00 ? 21 GLU A HB3 11 ATOM 5941 H HG2 . GLU A 1 21 ? 7.557 24.449 15.284 1.00 0.00 ? 21 GLU A HG2 11 ATOM 5942 H HG3 . GLU A 1 21 ? 7.922 22.730 14.884 1.00 0.00 ? 21 GLU A HG3 11 ATOM 5943 N N . ASN A 1 22 ? 9.343 21.705 19.567 1.00 0.00 ? 22 ASN A N 11 ATOM 5944 C CA . ASN A 1 22 ? 9.586 21.405 20.998 1.00 0.00 ? 22 ASN A CA 11 ATOM 5945 C C . ASN A 1 22 ? 10.909 21.944 21.552 1.00 0.00 ? 22 ASN A C 11 ATOM 5946 O O . ASN A 1 22 ? 11.051 22.104 22.763 1.00 0.00 ? 22 ASN A O 11 ATOM 5947 C CB . ASN A 1 22 ? 9.545 19.872 21.378 1.00 0.00 ? 22 ASN A CB 11 ATOM 5948 C CG . ASN A 1 22 ? 8.154 19.410 21.826 1.00 0.00 ? 22 ASN A CG 11 ATOM 5949 O OD1 . ASN A 1 22 ? 7.503 20.080 22.630 1.00 0.00 ? 22 ASN A OD1 11 ATOM 5950 N ND2 . ASN A 1 22 ? 7.687 18.226 21.363 1.00 0.00 ? 22 ASN A ND2 11 ATOM 5951 H H . ASN A 1 22 ? 9.232 20.893 18.986 1.00 0.00 ? 22 ASN A H 11 ATOM 5952 H HA . ASN A 1 22 ? 8.808 21.909 21.552 1.00 0.00 ? 22 ASN A HA 11 ATOM 5953 H HB2 . ASN A 1 22 ? 9.941 19.260 20.543 1.00 0.00 ? 22 ASN A HB2 11 ATOM 5954 H HB3 . ASN A 1 22 ? 10.151 19.616 22.278 1.00 0.00 ? 22 ASN A HB3 11 ATOM 5955 H HD21 . ASN A 1 22 ? 8.157 17.770 20.604 1.00 0.00 ? 22 ASN A HD21 11 ATOM 5956 H HD22 . ASN A 1 22 ? 6.788 17.907 21.660 1.00 0.00 ? 22 ASN A HD22 11 ATOM 5957 N N . ALA A 1 23 ? 11.877 22.300 20.660 1.00 0.00 ? 23 ALA A N 11 ATOM 5958 C CA . ALA A 1 23 ? 13.202 22.828 21.007 1.00 0.00 ? 23 ALA A CA 11 ATOM 5959 C C . ALA A 1 23 ? 13.160 24.268 21.501 1.00 0.00 ? 23 ALA A C 11 ATOM 5960 O O . ALA A 1 23 ? 13.934 24.693 22.359 1.00 0.00 ? 23 ALA A O 11 ATOM 5961 C CB . ALA A 1 23 ? 14.183 22.764 19.807 1.00 0.00 ? 23 ALA A CB 11 ATOM 5962 H H . ALA A 1 23 ? 11.703 22.156 19.688 1.00 0.00 ? 23 ALA A H 11 ATOM 5963 H HA . ALA A 1 23 ? 13.603 22.221 21.810 1.00 0.00 ? 23 ALA A HA 11 ATOM 5964 H HB1 . ALA A 1 23 ? 14.257 21.715 19.456 1.00 0.00 ? 23 ALA A HB1 11 ATOM 5965 H HB2 . ALA A 1 23 ? 13.853 23.379 18.939 1.00 0.00 ? 23 ALA A HB2 11 ATOM 5966 H HB3 . ALA A 1 23 ? 15.208 23.089 20.100 1.00 0.00 ? 23 ALA A HB3 11 ATOM 5967 N N . SER A 1 24 ? 12.194 25.053 20.968 1.00 0.00 ? 24 SER A N 11 ATOM 5968 C CA . SER A 1 24 ? 11.875 26.411 21.363 1.00 0.00 ? 24 SER A CA 11 ATOM 5969 C C . SER A 1 24 ? 10.816 26.461 22.457 1.00 0.00 ? 24 SER A C 11 ATOM 5970 O O . SER A 1 24 ? 10.519 27.523 22.992 1.00 0.00 ? 24 SER A O 11 ATOM 5971 C CB . SER A 1 24 ? 11.428 27.240 20.113 1.00 0.00 ? 24 SER A CB 11 ATOM 5972 O OG . SER A 1 24 ? 10.829 26.430 19.095 1.00 0.00 ? 24 SER A OG 11 ATOM 5973 H H . SER A 1 24 ? 11.641 24.725 20.205 1.00 0.00 ? 24 SER A H 11 ATOM 5974 H HA . SER A 1 24 ? 12.752 26.895 21.775 1.00 0.00 ? 24 SER A HA 11 ATOM 5975 H HB2 . SER A 1 24 ? 10.763 28.104 20.345 1.00 0.00 ? 24 SER A HB2 11 ATOM 5976 H HB3 . SER A 1 24 ? 12.352 27.667 19.663 1.00 0.00 ? 24 SER A HB3 11 ATOM 5977 H HG . SER A 1 24 ? 10.070 25.951 19.469 1.00 0.00 ? 24 SER A HG 11 ATOM 5978 N N . LYS A 1 25 ? 10.198 25.313 22.848 1.00 0.00 ? 25 LYS A N 11 ATOM 5979 C CA . LYS A 1 25 ? 9.074 25.244 23.764 1.00 0.00 ? 25 LYS A CA 11 ATOM 5980 C C . LYS A 1 25 ? 9.532 25.102 25.194 1.00 0.00 ? 25 LYS A C 11 ATOM 5981 O O . LYS A 1 25 ? 8.818 25.485 26.126 1.00 0.00 ? 25 LYS A O 11 ATOM 5982 C CB . LYS A 1 25 ? 8.168 24.038 23.398 1.00 0.00 ? 25 LYS A CB 11 ATOM 5983 C CG . LYS A 1 25 ? 6.973 23.756 24.318 1.00 0.00 ? 25 LYS A CG 11 ATOM 5984 C CD . LYS A 1 25 ? 7.278 22.714 25.412 1.00 0.00 ? 25 LYS A CD 11 ATOM 5985 C CE . LYS A 1 25 ? 6.241 22.747 26.539 1.00 0.00 ? 25 LYS A CE 11 ATOM 5986 N NZ . LYS A 1 25 ? 6.419 24.001 27.327 1.00 0.00 ? 25 LYS A NZ 11 ATOM 5987 H H . LYS A 1 25 ? 10.476 24.412 22.517 1.00 0.00 ? 25 LYS A H 11 ATOM 5988 H HA . LYS A 1 25 ? 8.482 26.150 23.692 1.00 0.00 ? 25 LYS A HA 11 ATOM 5989 H HB2 . LYS A 1 25 ? 7.761 24.242 22.383 1.00 0.00 ? 25 LYS A HB2 11 ATOM 5990 H HB3 . LYS A 1 25 ? 8.775 23.108 23.339 1.00 0.00 ? 25 LYS A HB3 11 ATOM 5991 H HG2 . LYS A 1 25 ? 6.624 24.729 24.726 1.00 0.00 ? 25 LYS A HG2 11 ATOM 5992 H HG3 . LYS A 1 25 ? 6.155 23.321 23.705 1.00 0.00 ? 25 LYS A HG3 11 ATOM 5993 H HD2 . LYS A 1 25 ? 7.320 21.732 24.893 1.00 0.00 ? 25 LYS A HD2 11 ATOM 5994 H HD3 . LYS A 1 25 ? 8.291 22.847 25.859 1.00 0.00 ? 25 LYS A HD3 11 ATOM 5995 H HE2 . LYS A 1 25 ? 5.208 22.726 26.123 1.00 0.00 ? 25 LYS A HE2 11 ATOM 5996 H HE3 . LYS A 1 25 ? 6.379 21.880 27.226 1.00 0.00 ? 25 LYS A HE3 11 ATOM 5997 H HZ1 . LYS A 1 25 ? 6.965 24.714 26.792 1.00 0.00 ? 25 LYS A HZ1 11 ATOM 5998 H HZ2 . LYS A 1 25 ? 5.527 24.403 27.667 1.00 0.00 ? 25 LYS A HZ2 11 ATOM 5999 H HZ3 . LYS A 1 25 ? 7.009 23.777 28.212 1.00 0.00 ? 25 LYS A HZ3 11 ATOM 6000 N N . GLU A 1 26 ? 10.741 24.484 25.398 1.00 0.00 ? 26 GLU A N 11 ATOM 6001 C CA . GLU A 1 26 ? 11.341 24.122 26.686 1.00 0.00 ? 26 GLU A CA 11 ATOM 6002 C C . GLU A 1 26 ? 11.811 25.337 27.469 1.00 0.00 ? 26 GLU A C 11 ATOM 6003 O O . GLU A 1 26 ? 11.979 25.306 28.683 1.00 0.00 ? 26 GLU A O 11 ATOM 6004 C CB . GLU A 1 26 ? 12.503 23.090 26.509 1.00 0.00 ? 26 GLU A CB 11 ATOM 6005 C CG . GLU A 1 26 ? 13.776 23.575 25.768 1.00 0.00 ? 26 GLU A CG 11 ATOM 6006 C CD . GLU A 1 26 ? 14.877 24.084 26.719 1.00 0.00 ? 26 GLU A CD 11 ATOM 6007 O OE1 . GLU A 1 26 ? 15.575 23.234 27.342 1.00 0.00 ? 26 GLU A OE1 11 ATOM 6008 O OE2 . GLU A 1 26 ? 15.048 25.333 26.797 1.00 0.00 ? 26 GLU A OE2 11 ATOM 6009 H H . GLU A 1 26 ? 11.253 24.136 24.615 1.00 0.00 ? 26 GLU A H 11 ATOM 6010 H HA . GLU A 1 26 ? 10.575 23.634 27.277 1.00 0.00 ? 26 GLU A HA 11 ATOM 6011 H HB2 . GLU A 1 26 ? 12.796 22.644 27.486 1.00 0.00 ? 26 GLU A HB2 11 ATOM 6012 H HB3 . GLU A 1 26 ? 12.097 22.254 25.892 1.00 0.00 ? 26 GLU A HB3 11 ATOM 6013 H HG2 . GLU A 1 26 ? 14.210 22.708 25.228 1.00 0.00 ? 26 GLU A HG2 11 ATOM 6014 H HG3 . GLU A 1 26 ? 13.539 24.347 25.007 1.00 0.00 ? 26 GLU A HG3 11 ATOM 6015 N N . ALA A 1 27 ? 11.893 26.485 26.743 1.00 0.00 ? 27 ALA A N 11 ATOM 6016 C CA . ALA A 1 27 ? 12.304 27.819 27.129 1.00 0.00 ? 27 ALA A CA 11 ATOM 6017 C C . ALA A 1 27 ? 11.239 28.596 27.897 1.00 0.00 ? 27 ALA A C 11 ATOM 6018 O O . ALA A 1 27 ? 11.445 29.760 28.242 1.00 0.00 ? 27 ALA A O 11 ATOM 6019 C CB . ALA A 1 27 ? 12.732 28.663 25.898 1.00 0.00 ? 27 ALA A CB 11 ATOM 6020 H H . ALA A 1 27 ? 11.671 26.409 25.779 1.00 0.00 ? 27 ALA A H 11 ATOM 6021 H HA . ALA A 1 27 ? 13.175 27.708 27.748 1.00 0.00 ? 27 ALA A HA 11 ATOM 6022 H HB1 . ALA A 1 27 ? 13.568 28.161 25.363 1.00 0.00 ? 27 ALA A HB1 11 ATOM 6023 H HB2 . ALA A 1 27 ? 11.889 28.788 25.180 1.00 0.00 ? 27 ALA A HB2 11 ATOM 6024 H HB3 . ALA A 1 27 ? 13.092 29.676 26.192 1.00 0.00 ? 27 ALA A HB3 11 ATOM 6025 N N . GLU A 1 28 ? 10.080 27.945 28.191 1.00 0.00 ? 28 GLU A N 11 ATOM 6026 C CA . GLU A 1 28 ? 9.020 28.382 29.091 1.00 0.00 ? 28 GLU A CA 11 ATOM 6027 C C . GLU A 1 28 ? 9.257 27.880 30.493 1.00 0.00 ? 28 GLU A C 11 ATOM 6028 O O . GLU A 1 28 ? 9.286 28.642 31.459 1.00 0.00 ? 28 GLU A O 11 ATOM 6029 C CB . GLU A 1 28 ? 7.624 27.946 28.572 1.00 0.00 ? 28 GLU A CB 11 ATOM 6030 C CG . GLU A 1 28 ? 7.198 28.774 27.351 1.00 0.00 ? 28 GLU A CG 11 ATOM 6031 C CD . GLU A 1 28 ? 6.803 30.160 27.859 1.00 0.00 ? 28 GLU A CD 11 ATOM 6032 O OE1 . GLU A 1 28 ? 7.702 30.995 28.145 1.00 0.00 ? 28 GLU A OE1 11 ATOM 6033 O OE2 . GLU A 1 28 ? 5.571 30.390 27.995 1.00 0.00 ? 28 GLU A OE2 11 ATOM 6034 H H . GLU A 1 28 ? 9.947 27.043 27.782 1.00 0.00 ? 28 GLU A H 11 ATOM 6035 H HA . GLU A 1 28 ? 9.050 29.462 29.174 1.00 0.00 ? 28 GLU A HA 11 ATOM 6036 H HB2 . GLU A 1 28 ? 7.633 26.867 28.301 1.00 0.00 ? 28 GLU A HB2 11 ATOM 6037 H HB3 . GLU A 1 28 ? 6.821 28.085 29.336 1.00 0.00 ? 28 GLU A HB3 11 ATOM 6038 H HG2 . GLU A 1 28 ? 8.022 28.869 26.611 1.00 0.00 ? 28 GLU A HG2 11 ATOM 6039 H HG3 . GLU A 1 28 ? 6.314 28.319 26.854 1.00 0.00 ? 28 GLU A HG3 11 ATOM 6040 N N . GLU A 1 29 ? 9.541 26.551 30.635 1.00 0.00 ? 29 GLU A N 11 ATOM 6041 C CA . GLU A 1 29 ? 9.929 25.827 31.837 1.00 0.00 ? 29 GLU A CA 11 ATOM 6042 C C . GLU A 1 29 ? 11.344 26.203 32.237 1.00 0.00 ? 29 GLU A C 11 ATOM 6043 O O . GLU A 1 29 ? 11.697 26.201 33.409 1.00 0.00 ? 29 GLU A O 11 ATOM 6044 C CB . GLU A 1 29 ? 9.843 24.278 31.638 1.00 0.00 ? 29 GLU A CB 11 ATOM 6045 C CG . GLU A 1 29 ? 8.421 23.681 31.476 1.00 0.00 ? 29 GLU A CG 11 ATOM 6046 C CD . GLU A 1 29 ? 7.753 23.966 30.132 1.00 0.00 ? 29 GLU A CD 11 ATOM 6047 O OE1 . GLU A 1 29 ? 7.981 23.196 29.161 1.00 0.00 ? 29 GLU A OE1 11 ATOM 6048 O OE2 . GLU A 1 29 ? 6.944 24.917 30.003 1.00 0.00 ? 29 GLU A OE2 11 ATOM 6049 H H . GLU A 1 29 ? 9.484 25.934 29.864 1.00 0.00 ? 29 GLU A H 11 ATOM 6050 H HA . GLU A 1 29 ? 9.274 26.117 32.646 1.00 0.00 ? 29 GLU A HA 11 ATOM 6051 H HB2 . GLU A 1 29 ? 10.463 23.958 30.766 1.00 0.00 ? 29 GLU A HB2 11 ATOM 6052 H HB3 . GLU A 1 29 ? 10.269 23.778 32.544 1.00 0.00 ? 29 GLU A HB3 11 ATOM 6053 H HG2 . GLU A 1 29 ? 8.532 22.575 31.545 1.00 0.00 ? 29 GLU A HG2 11 ATOM 6054 H HG3 . GLU A 1 29 ? 7.769 23.993 32.321 1.00 0.00 ? 29 GLU A HG3 11 ATOM 6055 N N . ALA A 1 30 ? 12.143 26.707 31.257 1.00 0.00 ? 30 ALA A N 11 ATOM 6056 C CA . ALA A 1 30 ? 13.476 27.261 31.447 1.00 0.00 ? 30 ALA A CA 11 ATOM 6057 C C . ALA A 1 30 ? 13.510 28.657 32.058 1.00 0.00 ? 30 ALA A C 11 ATOM 6058 O O . ALA A 1 30 ? 14.546 29.307 32.026 1.00 0.00 ? 30 ALA A O 11 ATOM 6059 C CB . ALA A 1 30 ? 14.308 27.311 30.135 1.00 0.00 ? 30 ALA A CB 11 ATOM 6060 H H . ALA A 1 30 ? 11.824 26.660 30.309 1.00 0.00 ? 30 ALA A H 11 ATOM 6061 H HA . ALA A 1 30 ? 14.001 26.594 32.122 1.00 0.00 ? 30 ALA A HA 11 ATOM 6062 H HB1 . ALA A 1 30 ? 14.212 26.346 29.588 1.00 0.00 ? 30 ALA A HB1 11 ATOM 6063 H HB2 . ALA A 1 30 ? 13.967 28.133 29.471 1.00 0.00 ? 30 ALA A HB2 11 ATOM 6064 H HB3 . ALA A 1 30 ? 15.388 27.480 30.326 1.00 0.00 ? 30 ALA A HB3 11 ATOM 6065 N N . ALA A 1 31 ? 12.398 29.125 32.703 1.00 0.00 ? 31 ALA A N 11 ATOM 6066 C CA . ALA A 1 31 ? 12.376 30.212 33.679 1.00 0.00 ? 31 ALA A CA 11 ATOM 6067 C C . ALA A 1 31 ? 12.572 29.678 35.095 1.00 0.00 ? 31 ALA A C 11 ATOM 6068 O O . ALA A 1 31 ? 12.528 30.418 36.079 1.00 0.00 ? 31 ALA A O 11 ATOM 6069 C CB . ALA A 1 31 ? 11.063 31.034 33.578 1.00 0.00 ? 31 ALA A CB 11 ATOM 6070 H H . ALA A 1 31 ? 11.519 28.651 32.586 1.00 0.00 ? 31 ALA A H 11 ATOM 6071 H HA . ALA A 1 31 ? 13.207 30.885 33.506 1.00 0.00 ? 31 ALA A HA 11 ATOM 6072 H HB1 . ALA A 1 31 ? 10.154 30.406 33.718 1.00 0.00 ? 31 ALA A HB1 11 ATOM 6073 H HB2 . ALA A 1 31 ? 11.037 31.882 34.300 1.00 0.00 ? 31 ALA A HB2 11 ATOM 6074 H HB3 . ALA A 1 31 ? 10.996 31.461 32.553 1.00 0.00 ? 31 ALA A HB3 11 ATOM 6075 N N . LYS A 1 32 ? 12.802 28.346 35.199 1.00 0.00 ? 32 LYS A N 11 ATOM 6076 C CA . LYS A 1 32 ? 13.101 27.594 36.399 1.00 0.00 ? 32 LYS A CA 11 ATOM 6077 C C . LYS A 1 32 ? 14.502 27.023 36.333 1.00 0.00 ? 32 LYS A C 11 ATOM 6078 O O . LYS A 1 32 ? 15.463 27.698 36.713 1.00 0.00 ? 32 LYS A O 11 ATOM 6079 C CB . LYS A 1 32 ? 12.021 26.513 36.639 1.00 0.00 ? 32 LYS A CB 11 ATOM 6080 C CG . LYS A 1 32 ? 10.932 27.032 37.570 1.00 0.00 ? 32 LYS A CG 11 ATOM 6081 C CD . LYS A 1 32 ? 9.635 26.235 37.453 1.00 0.00 ? 32 LYS A CD 11 ATOM 6082 C CE . LYS A 1 32 ? 8.547 26.796 38.374 1.00 0.00 ? 32 LYS A CE 11 ATOM 6083 N NZ . LYS A 1 32 ? 7.279 26.039 38.246 1.00 0.00 ? 32 LYS A NZ 11 ATOM 6084 H H . LYS A 1 32 ? 12.722 27.787 34.371 1.00 0.00 ? 32 LYS A H 11 ATOM 6085 H HA . LYS A 1 32 ? 13.106 28.242 37.263 1.00 0.00 ? 32 LYS A HA 11 ATOM 6086 H HB2 . LYS A 1 32 ? 11.538 26.245 35.676 1.00 0.00 ? 32 LYS A HB2 11 ATOM 6087 H HB3 . LYS A 1 32 ? 12.388 25.560 37.076 1.00 0.00 ? 32 LYS A HB3 11 ATOM 6088 H HG2 . LYS A 1 32 ? 11.327 26.994 38.610 1.00 0.00 ? 32 LYS A HG2 11 ATOM 6089 H HG3 . LYS A 1 32 ? 10.717 28.094 37.316 1.00 0.00 ? 32 LYS A HG3 11 ATOM 6090 H HD2 . LYS A 1 32 ? 9.308 26.283 36.390 1.00 0.00 ? 32 LYS A HD2 11 ATOM 6091 H HD3 . LYS A 1 32 ? 9.844 25.170 37.712 1.00 0.00 ? 32 LYS A HD3 11 ATOM 6092 H HE2 . LYS A 1 32 ? 8.877 26.731 39.436 1.00 0.00 ? 32 LYS A HE2 11 ATOM 6093 H HE3 . LYS A 1 32 ? 8.339 27.860 38.129 1.00 0.00 ? 32 LYS A HE3 11 ATOM 6094 H HZ1 . LYS A 1 32 ? 6.940 26.082 37.262 1.00 0.00 ? 32 LYS A HZ1 11 ATOM 6095 H HZ2 . LYS A 1 32 ? 7.437 25.045 38.518 1.00 0.00 ? 32 LYS A HZ2 11 ATOM 6096 H HZ3 . LYS A 1 32 ? 6.563 26.459 38.872 1.00 0.00 ? 32 LYS A HZ3 11 ATOM 6097 N N . GLU A 1 33 ? 14.697 25.756 35.860 1.00 0.00 ? 33 GLU A N 11 ATOM 6098 C CA . GLU A 1 33 ? 15.831 24.884 36.168 1.00 0.00 ? 33 GLU A CA 11 ATOM 6099 C C . GLU A 1 33 ? 17.099 25.228 35.414 1.00 0.00 ? 33 GLU A C 11 ATOM 6100 O O . GLU A 1 33 ? 18.187 24.798 35.771 1.00 0.00 ? 33 GLU A O 11 ATOM 6101 C CB . GLU A 1 33 ? 15.510 23.363 35.950 1.00 0.00 ? 33 GLU A CB 11 ATOM 6102 C CG . GLU A 1 33 ? 14.166 22.893 36.562 1.00 0.00 ? 33 GLU A CG 11 ATOM 6103 C CD . GLU A 1 33 ? 12.982 23.222 35.656 1.00 0.00 ? 33 GLU A CD 11 ATOM 6104 O OE1 . GLU A 1 33 ? 13.216 23.903 34.623 1.00 0.00 ? 33 GLU A OE1 11 ATOM 6105 O OE2 . GLU A 1 33 ? 11.836 22.804 35.970 1.00 0.00 ? 33 GLU A OE2 11 ATOM 6106 H H . GLU A 1 33 ? 13.964 25.222 35.385 1.00 0.00 ? 33 GLU A H 11 ATOM 6107 H HA . GLU A 1 33 ? 16.039 25.002 37.219 1.00 0.00 ? 33 GLU A HA 11 ATOM 6108 H HB2 . GLU A 1 33 ? 15.496 23.081 34.869 1.00 0.00 ? 33 GLU A HB2 11 ATOM 6109 H HB3 . GLU A 1 33 ? 16.305 22.752 36.435 1.00 0.00 ? 33 GLU A HB3 11 ATOM 6110 H HG2 . GLU A 1 33 ? 14.184 21.787 36.666 1.00 0.00 ? 33 GLU A HG2 11 ATOM 6111 H HG3 . GLU A 1 33 ? 14.011 23.333 37.570 1.00 0.00 ? 33 GLU A HG3 11 ATOM 6112 N N . ALA A 1 34 ? 16.956 26.060 34.356 1.00 0.00 ? 34 ALA A N 11 ATOM 6113 C CA . ALA A 1 34 ? 18.011 26.604 33.510 1.00 0.00 ? 34 ALA A CA 11 ATOM 6114 C C . ALA A 1 34 ? 18.535 27.941 34.020 1.00 0.00 ? 34 ALA A C 11 ATOM 6115 O O . ALA A 1 34 ? 19.538 28.461 33.535 1.00 0.00 ? 34 ALA A O 11 ATOM 6116 C CB . ALA A 1 34 ? 17.507 26.805 32.061 1.00 0.00 ? 34 ALA A CB 11 ATOM 6117 H H . ALA A 1 34 ? 16.021 26.311 34.113 1.00 0.00 ? 34 ALA A H 11 ATOM 6118 H HA . ALA A 1 34 ? 18.841 25.907 33.469 1.00 0.00 ? 34 ALA A HA 11 ATOM 6119 H HB1 . ALA A 1 34 ? 17.071 25.859 31.674 1.00 0.00 ? 34 ALA A HB1 11 ATOM 6120 H HB2 . ALA A 1 34 ? 16.714 27.585 32.000 1.00 0.00 ? 34 ALA A HB2 11 ATOM 6121 H HB3 . ALA A 1 34 ? 18.335 27.098 31.375 1.00 0.00 ? 34 ALA A HB3 11 ATOM 6122 N N . VAL A 1 35 ? 17.806 28.530 35.006 1.00 0.00 ? 35 VAL A N 11 ATOM 6123 C CA . VAL A 1 35 ? 18.033 29.862 35.550 1.00 0.00 ? 35 VAL A CA 11 ATOM 6124 C C . VAL A 1 35 ? 18.512 29.711 36.973 1.00 0.00 ? 35 VAL A C 11 ATOM 6125 O O . VAL A 1 35 ? 19.578 30.205 37.339 1.00 0.00 ? 35 VAL A O 11 ATOM 6126 C CB . VAL A 1 35 ? 16.767 30.740 35.488 1.00 0.00 ? 35 VAL A CB 11 ATOM 6127 C CG1 . VAL A 1 35 ? 16.911 32.121 36.181 1.00 0.00 ? 35 VAL A CG1 11 ATOM 6128 C CG2 . VAL A 1 35 ? 16.415 30.946 34.004 1.00 0.00 ? 35 VAL A CG2 11 ATOM 6129 H H . VAL A 1 35 ? 17.038 28.031 35.411 1.00 0.00 ? 35 VAL A H 11 ATOM 6130 H HA . VAL A 1 35 ? 18.826 30.364 35.008 1.00 0.00 ? 35 VAL A HA 11 ATOM 6131 H HB . VAL A 1 35 ? 15.910 30.209 35.966 1.00 0.00 ? 35 VAL A HB 11 ATOM 6132 H HG11 . VAL A 1 35 ? 17.775 32.680 35.760 1.00 0.00 ? 35 VAL A HG11 11 ATOM 6133 H HG12 . VAL A 1 35 ? 15.994 32.724 36.014 1.00 0.00 ? 35 VAL A HG12 11 ATOM 6134 H HG13 . VAL A 1 35 ? 17.053 32.037 37.280 1.00 0.00 ? 35 VAL A HG13 11 ATOM 6135 H HG21 . VAL A 1 35 ? 16.273 29.975 33.492 1.00 0.00 ? 35 VAL A HG21 11 ATOM 6136 H HG22 . VAL A 1 35 ? 15.470 31.522 33.906 1.00 0.00 ? 35 VAL A HG22 11 ATOM 6137 H HG23 . VAL A 1 35 ? 17.224 31.499 33.479 1.00 0.00 ? 35 VAL A HG23 11 ATOM 6138 N N . ASN A 1 36 ? 17.696 29.056 37.833 1.00 0.00 ? 36 ASN A N 11 ATOM 6139 C CA . ASN A 1 36 ? 17.868 29.109 39.277 1.00 0.00 ? 36 ASN A CA 11 ATOM 6140 C C . ASN A 1 36 ? 18.060 27.741 39.878 1.00 0.00 ? 36 ASN A C 11 ATOM 6141 O O . ASN A 1 36 ? 18.598 27.641 40.979 1.00 0.00 ? 36 ASN A O 11 ATOM 6142 C CB . ASN A 1 36 ? 16.753 29.944 39.983 1.00 0.00 ? 36 ASN A CB 11 ATOM 6143 C CG . ASN A 1 36 ? 15.350 29.436 39.649 1.00 0.00 ? 36 ASN A CG 11 ATOM 6144 O OD1 . ASN A 1 36 ? 15.035 28.359 40.156 1.00 0.00 ? 36 ASN A OD1 11 ATOM 6145 N ND2 . ASN A 1 36 ? 14.523 30.158 38.844 1.00 0.00 ? 36 ASN A ND2 11 ATOM 6146 H H . ASN A 1 36 ? 16.848 28.625 37.497 1.00 0.00 ? 36 ASN A H 11 ATOM 6147 H HA . ASN A 1 36 ? 18.788 29.616 39.533 1.00 0.00 ? 36 ASN A HA 11 ATOM 6148 H HB2 . ASN A 1 36 ? 16.873 29.910 41.091 1.00 0.00 ? 36 ASN A HB2 11 ATOM 6149 H HB3 . ASN A 1 36 ? 16.857 31.008 39.674 1.00 0.00 ? 36 ASN A HB3 11 ATOM 6150 H HD21 . ASN A 1 36 ? 14.860 30.916 38.282 1.00 0.00 ? 36 ASN A HD21 11 ATOM 6151 H HD22 . ASN A 1 36 ? 13.637 29.754 38.627 1.00 0.00 ? 36 ASN A HD22 11 ATOM 6152 N N . LEU A 1 37 ? 17.614 26.659 39.179 1.00 0.00 ? 37 LEU A N 11 ATOM 6153 C CA . LEU A 1 37 ? 17.966 25.259 39.439 1.00 0.00 ? 37 LEU A CA 11 ATOM 6154 C C . LEU A 1 37 ? 17.295 24.629 40.666 1.00 0.00 ? 37 LEU A C 11 ATOM 6155 O O . LEU A 1 37 ? 17.691 23.533 41.064 1.00 0.00 ? 37 LEU A O 11 ATOM 6156 C CB . LEU A 1 37 ? 19.522 24.954 39.490 1.00 0.00 ? 37 LEU A CB 11 ATOM 6157 C CG . LEU A 1 37 ? 20.342 25.068 38.170 1.00 0.00 ? 37 LEU A CG 11 ATOM 6158 C CD1 . LEU A 1 37 ? 20.384 26.472 37.528 1.00 0.00 ? 37 LEU A CD1 11 ATOM 6159 C CD2 . LEU A 1 37 ? 21.776 24.545 38.376 1.00 0.00 ? 37 LEU A CD2 11 ATOM 6160 H H . LEU A 1 37 ? 17.073 26.802 38.353 1.00 0.00 ? 37 LEU A H 11 ATOM 6161 H HA . LEU A 1 37 ? 17.597 24.700 38.597 1.00 0.00 ? 37 LEU A HA 11 ATOM 6162 H HB2 . LEU A 1 37 ? 20.003 25.583 40.272 1.00 0.00 ? 37 LEU A HB2 11 ATOM 6163 H HB3 . LEU A 1 37 ? 19.694 23.894 39.797 1.00 0.00 ? 37 LEU A HB3 11 ATOM 6164 H HG . LEU A 1 37 ? 19.869 24.383 37.434 1.00 0.00 ? 37 LEU A HG 11 ATOM 6165 H HD11 . LEU A 1 37 ? 20.785 27.224 38.244 1.00 0.00 ? 37 LEU A HD11 11 ATOM 6166 H HD12 . LEU A 1 37 ? 21.035 26.471 36.628 1.00 0.00 ? 37 LEU A HD12 11 ATOM 6167 H HD13 . LEU A 1 37 ? 19.372 26.788 37.202 1.00 0.00 ? 37 LEU A HD13 11 ATOM 6168 H HD21 . LEU A 1 37 ? 21.760 23.512 38.787 1.00 0.00 ? 37 LEU A HD21 11 ATOM 6169 H HD22 . LEU A 1 37 ? 22.323 24.530 37.410 1.00 0.00 ? 37 LEU A HD22 11 ATOM 6170 H HD23 . LEU A 1 37 ? 22.322 25.202 39.083 1.00 0.00 ? 37 LEU A HD23 11 ATOM 6171 N N . LYS A 1 38 ? 16.342 25.317 41.341 1.00 0.00 ? 38 LYS A N 11 ATOM 6172 C CA . LYS A 1 38 ? 15.986 24.935 42.693 1.00 0.00 ? 38 LYS A CA 11 ATOM 6173 C C . LYS A 1 38 ? 14.465 25.032 42.855 1.00 0.00 ? 38 LYS A C 11 ATOM 6174 O O . LYS A 1 38 ? 13.889 26.044 42.378 1.00 0.00 ? 38 LYS A O 11 ATOM 6175 C CB . LYS A 1 38 ? 16.657 25.898 43.692 1.00 0.00 ? 38 LYS A CB 11 ATOM 6176 C CG . LYS A 1 38 ? 16.348 25.604 45.172 1.00 0.00 ? 38 LYS A CG 11 ATOM 6177 C CD . LYS A 1 38 ? 16.438 26.828 46.084 1.00 0.00 ? 38 LYS A CD 11 ATOM 6178 C CE . LYS A 1 38 ? 15.474 27.948 45.634 1.00 0.00 ? 38 LYS A CE 11 ATOM 6179 N NZ . LYS A 1 38 ? 15.274 28.957 46.690 1.00 0.00 ? 38 LYS A NZ 11 ATOM 6180 O OXT . LYS A 1 38 ? 13.877 24.135 43.527 1.00 0.00 ? 38 LYS A OXT 11 ATOM 6181 H H . LYS A 1 38 ? 15.908 26.166 40.997 1.00 0.00 ? 38 LYS A H 11 ATOM 6182 H HA . LYS A 1 38 ? 16.267 23.913 42.918 1.00 0.00 ? 38 LYS A HA 11 ATOM 6183 H HB2 . LYS A 1 38 ? 17.757 25.860 43.540 1.00 0.00 ? 38 LYS A HB2 11 ATOM 6184 H HB3 . LYS A 1 38 ? 16.323 26.909 43.383 1.00 0.00 ? 38 LYS A HB3 11 ATOM 6185 H HG2 . LYS A 1 38 ? 15.303 25.233 45.256 1.00 0.00 ? 38 LYS A HG2 11 ATOM 6186 H HG3 . LYS A 1 38 ? 17.012 24.784 45.527 1.00 0.00 ? 38 LYS A HG3 11 ATOM 6187 H HD2 . LYS A 1 38 ? 16.168 26.460 47.100 1.00 0.00 ? 38 LYS A HD2 11 ATOM 6188 H HD3 . LYS A 1 38 ? 17.489 27.197 46.114 1.00 0.00 ? 38 LYS A HD3 11 ATOM 6189 H HE2 . LYS A 1 38 ? 15.871 28.474 44.737 1.00 0.00 ? 38 LYS A HE2 11 ATOM 6190 H HE3 . LYS A 1 38 ? 14.474 27.520 45.389 1.00 0.00 ? 38 LYS A HE3 11 ATOM 6191 H HZ1 . LYS A 1 38 ? 16.182 29.268 47.092 1.00 0.00 ? 38 LYS A HZ1 11 ATOM 6192 H HZ2 . LYS A 1 38 ? 14.760 29.773 46.298 1.00 0.00 ? 38 LYS A HZ2 11 ATOM 6193 H HZ3 . LYS A 1 38 ? 14.699 28.517 47.432 1.00 0.00 ? 38 LYS A HZ3 11 ATOM 6194 N N . GLU A 1 1 ? -12.948 12.451 18.447 1.00 0.00 ? 1 GLU A N 12 ATOM 6195 C CA . GLU A 1 1 ? -11.782 12.501 19.363 1.00 0.00 ? 1 GLU A CA 12 ATOM 6196 C C . GLU A 1 1 ? -10.761 13.473 18.898 1.00 0.00 ? 1 GLU A C 12 ATOM 6197 O O . GLU A 1 1 ? -10.837 14.633 19.287 1.00 0.00 ? 1 GLU A O 12 ATOM 6198 C CB . GLU A 1 1 ? -11.310 11.051 19.752 1.00 0.00 ? 1 GLU A CB 12 ATOM 6199 C CG . GLU A 1 1 ? -11.894 10.643 21.133 1.00 0.00 ? 1 GLU A CG 12 ATOM 6200 C CD . GLU A 1 1 ? -13.395 10.922 21.085 1.00 0.00 ? 1 GLU A CD 12 ATOM 6201 O OE1 . GLU A 1 1 ? -13.993 10.752 19.976 1.00 0.00 ? 1 GLU A OE1 12 ATOM 6202 O OE2 . GLU A 1 1 ? -13.912 11.476 22.085 1.00 0.00 ? 1 GLU A OE2 12 ATOM 6203 H H1 . GLU A 1 1 ? -13.383 13.396 18.387 1.00 0.00 ? 1 GLU A H1 12 ATOM 6204 H H2 . GLU A 1 1 ? -12.667 12.116 17.506 1.00 0.00 ? 1 GLU A H2 12 ATOM 6205 H H3 . GLU A 1 1 ? -13.625 11.770 18.890 1.00 0.00 ? 1 GLU A H3 12 ATOM 6206 H HA . GLU A 1 1 ? -12.159 12.951 20.264 1.00 0.00 ? 1 GLU A HA 12 ATOM 6207 H HB2 . GLU A 1 1 ? -11.703 10.299 19.026 1.00 0.00 ? 1 GLU A HB2 12 ATOM 6208 H HB3 . GLU A 1 1 ? -10.205 10.930 19.772 1.00 0.00 ? 1 GLU A HB3 12 ATOM 6209 H HG2 . GLU A 1 1 ? -11.713 9.575 21.385 1.00 0.00 ? 1 GLU A HG2 12 ATOM 6210 H HG3 . GLU A 1 1 ? -11.435 11.261 21.942 1.00 0.00 ? 1 GLU A HG3 12 ATOM 6211 N N . ALA A 1 2 ? -9.791 13.074 18.055 1.00 0.00 ? 2 ALA A N 12 ATOM 6212 C CA . ALA A 1 2 ? -8.686 13.929 17.680 1.00 0.00 ? 2 ALA A CA 12 ATOM 6213 C C . ALA A 1 2 ? -8.319 13.408 16.324 1.00 0.00 ? 2 ALA A C 12 ATOM 6214 O O . ALA A 1 2 ? -8.723 12.284 16.017 1.00 0.00 ? 2 ALA A O 12 ATOM 6215 C CB . ALA A 1 2 ? -7.484 13.803 18.649 1.00 0.00 ? 2 ALA A CB 12 ATOM 6216 H H . ALA A 1 2 ? -9.764 12.184 17.598 1.00 0.00 ? 2 ALA A H 12 ATOM 6217 H HA . ALA A 1 2 ? -9.003 14.962 17.584 1.00 0.00 ? 2 ALA A HA 12 ATOM 6218 H HB1 . ALA A 1 2 ? -7.215 12.736 18.806 1.00 0.00 ? 2 ALA A HB1 12 ATOM 6219 H HB2 . ALA A 1 2 ? -6.582 14.348 18.301 1.00 0.00 ? 2 ALA A HB2 12 ATOM 6220 H HB3 . ALA A 1 2 ? -7.767 14.224 19.638 1.00 0.00 ? 2 ALA A HB3 12 ATOM 6221 N N . TYR A 1 3 ? -7.592 14.234 15.523 1.00 0.00 ? 3 TYR A N 12 ATOM 6222 C CA . TYR A 1 3 ? -7.220 14.038 14.129 1.00 0.00 ? 3 TYR A CA 12 ATOM 6223 C C . TYR A 1 3 ? -8.309 14.594 13.207 1.00 0.00 ? 3 TYR A C 12 ATOM 6224 O O . TYR A 1 3 ? -9.501 14.302 13.345 1.00 0.00 ? 3 TYR A O 12 ATOM 6225 C CB . TYR A 1 3 ? -6.721 12.593 13.741 1.00 0.00 ? 3 TYR A CB 12 ATOM 6226 C CG . TYR A 1 3 ? -6.217 12.472 12.321 1.00 0.00 ? 3 TYR A CG 12 ATOM 6227 C CD1 . TYR A 1 3 ? -4.968 12.988 11.937 1.00 0.00 ? 3 TYR A CD1 12 ATOM 6228 C CD2 . TYR A 1 3 ? -7.045 11.901 11.336 1.00 0.00 ? 3 TYR A CD2 12 ATOM 6229 C CE1 . TYR A 1 3 ? -4.554 12.910 10.605 1.00 0.00 ? 3 TYR A CE1 12 ATOM 6230 C CE2 . TYR A 1 3 ? -6.656 11.866 9.991 1.00 0.00 ? 3 TYR A CE2 12 ATOM 6231 C CZ . TYR A 1 3 ? -5.393 12.356 9.622 1.00 0.00 ? 3 TYR A CZ 12 ATOM 6232 O OH . TYR A 1 3 ? -4.999 12.360 8.266 1.00 0.00 ? 3 TYR A OH 12 ATOM 6233 H H . TYR A 1 3 ? -7.270 15.096 15.904 1.00 0.00 ? 3 TYR A H 12 ATOM 6234 H HA . TYR A 1 3 ? -6.362 14.681 14.000 1.00 0.00 ? 3 TYR A HA 12 ATOM 6235 H HB2 . TYR A 1 3 ? -5.878 12.311 14.409 1.00 0.00 ? 3 TYR A HB2 12 ATOM 6236 H HB3 . TYR A 1 3 ? -7.529 11.842 13.878 1.00 0.00 ? 3 TYR A HB3 12 ATOM 6237 H HD1 . TYR A 1 3 ? -4.310 13.467 12.651 1.00 0.00 ? 3 TYR A HD1 12 ATOM 6238 H HD2 . TYR A 1 3 ? -8.012 11.512 11.614 1.00 0.00 ? 3 TYR A HD2 12 ATOM 6239 H HE1 . TYR A 1 3 ? -3.601 13.344 10.355 1.00 0.00 ? 3 TYR A HE1 12 ATOM 6240 H HE2 . TYR A 1 3 ? -7.360 11.490 9.262 1.00 0.00 ? 3 TYR A HE2 12 ATOM 6241 H HH . TYR A 1 3 ? -5.549 11.734 7.791 1.00 0.00 ? 3 TYR A HH 12 ATOM 6242 N N . LYS A 1 4 ? -7.841 15.391 12.218 1.00 0.00 ? 4 LYS A N 12 ATOM 6243 C CA . LYS A 1 4 ? -8.550 15.903 11.071 1.00 0.00 ? 4 LYS A CA 12 ATOM 6244 C C . LYS A 1 4 ? -7.443 16.405 10.178 1.00 0.00 ? 4 LYS A C 12 ATOM 6245 O O . LYS A 1 4 ? -7.288 17.616 10.033 1.00 0.00 ? 4 LYS A O 12 ATOM 6246 C CB . LYS A 1 4 ? -9.492 17.112 11.334 1.00 0.00 ? 4 LYS A CB 12 ATOM 6247 C CG . LYS A 1 4 ? -10.942 16.784 11.677 1.00 0.00 ? 4 LYS A CG 12 ATOM 6248 C CD . LYS A 1 4 ? -11.643 18.108 11.962 1.00 0.00 ? 4 LYS A CD 12 ATOM 6249 C CE . LYS A 1 4 ? -13.142 18.054 12.281 1.00 0.00 ? 4 LYS A CE 12 ATOM 6250 N NZ . LYS A 1 4 ? -13.914 17.417 11.186 1.00 0.00 ? 4 LYS A NZ 12 ATOM 6251 H H . LYS A 1 4 ? -6.868 15.612 12.200 1.00 0.00 ? 4 LYS A H 12 ATOM 6252 H HA . LYS A 1 4 ? -9.082 15.110 10.565 1.00 0.00 ? 4 LYS A HA 12 ATOM 6253 H HB2 . LYS A 1 4 ? -9.046 17.742 12.135 1.00 0.00 ? 4 LYS A HB2 12 ATOM 6254 H HB3 . LYS A 1 4 ? -9.631 17.749 10.428 1.00 0.00 ? 4 LYS A HB3 12 ATOM 6255 H HG2 . LYS A 1 4 ? -11.393 16.253 10.811 1.00 0.00 ? 4 LYS A HG2 12 ATOM 6256 H HG3 . LYS A 1 4 ? -10.993 16.120 12.567 1.00 0.00 ? 4 LYS A HG3 12 ATOM 6257 H HD2 . LYS A 1 4 ? -11.098 18.512 12.843 1.00 0.00 ? 4 LYS A HD2 12 ATOM 6258 H HD3 . LYS A 1 4 ? -11.439 18.774 11.096 1.00 0.00 ? 4 LYS A HD3 12 ATOM 6259 H HE2 . LYS A 1 4 ? -13.317 17.470 13.211 1.00 0.00 ? 4 LYS A HE2 12 ATOM 6260 H HE3 . LYS A 1 4 ? -13.534 19.086 12.425 1.00 0.00 ? 4 LYS A HE3 12 ATOM 6261 H HZ1 . LYS A 1 4 ? -13.573 16.445 11.052 1.00 0.00 ? 4 LYS A HZ1 12 ATOM 6262 H HZ2 . LYS A 1 4 ? -14.922 17.389 11.446 1.00 0.00 ? 4 LYS A HZ2 12 ATOM 6263 H HZ3 . LYS A 1 4 ? -13.806 17.949 10.301 1.00 0.00 ? 4 LYS A HZ3 12 ATOM 6264 N N . LYS A 1 5 ? -6.686 15.476 9.547 1.00 0.00 ? 5 LYS A N 12 ATOM 6265 C CA . LYS A 1 5 ? -5.688 15.683 8.508 1.00 0.00 ? 5 LYS A CA 12 ATOM 6266 C C . LYS A 1 5 ? -4.284 15.844 9.048 1.00 0.00 ? 5 LYS A C 12 ATOM 6267 O O . LYS A 1 5 ? -4.042 16.591 9.993 1.00 0.00 ? 5 LYS A O 12 ATOM 6268 C CB . LYS A 1 5 ? -5.979 16.752 7.413 1.00 0.00 ? 5 LYS A CB 12 ATOM 6269 C CG . LYS A 1 5 ? -7.337 16.528 6.723 1.00 0.00 ? 5 LYS A CG 12 ATOM 6270 C CD . LYS A 1 5 ? -7.430 17.149 5.326 1.00 0.00 ? 5 LYS A CD 12 ATOM 6271 C CE . LYS A 1 5 ? -7.138 18.655 5.270 1.00 0.00 ? 5 LYS A CE 12 ATOM 6272 N NZ . LYS A 1 5 ? -8.147 19.399 6.054 1.00 0.00 ? 5 LYS A NZ 12 ATOM 6273 H H . LYS A 1 5 ? -6.806 14.514 9.776 1.00 0.00 ? 5 LYS A H 12 ATOM 6274 H HA . LYS A 1 5 ? -5.688 14.748 7.977 1.00 0.00 ? 5 LYS A HA 12 ATOM 6275 H HB2 . LYS A 1 5 ? -5.927 17.773 7.858 1.00 0.00 ? 5 LYS A HB2 12 ATOM 6276 H HB3 . LYS A 1 5 ? -5.189 16.684 6.627 1.00 0.00 ? 5 LYS A HB3 12 ATOM 6277 H HG2 . LYS A 1 5 ? -7.479 15.431 6.611 1.00 0.00 ? 5 LYS A HG2 12 ATOM 6278 H HG3 . LYS A 1 5 ? -8.144 16.897 7.389 1.00 0.00 ? 5 LYS A HG3 12 ATOM 6279 H HD2 . LYS A 1 5 ? -6.687 16.623 4.685 1.00 0.00 ? 5 LYS A HD2 12 ATOM 6280 H HD3 . LYS A 1 5 ? -8.440 16.922 4.922 1.00 0.00 ? 5 LYS A HD3 12 ATOM 6281 H HE2 . LYS A 1 5 ? -6.137 18.897 5.688 1.00 0.00 ? 5 LYS A HE2 12 ATOM 6282 H HE3 . LYS A 1 5 ? -7.176 19.020 4.221 1.00 0.00 ? 5 LYS A HE3 12 ATOM 6283 H HZ1 . LYS A 1 5 ? -8.190 19.017 7.020 1.00 0.00 ? 5 LYS A HZ1 12 ATOM 6284 H HZ2 . LYS A 1 5 ? -7.896 20.407 6.088 1.00 0.00 ? 5 LYS A HZ2 12 ATOM 6285 H HZ3 . LYS A 1 5 ? -9.068 19.277 5.592 1.00 0.00 ? 5 LYS A HZ3 12 ATOM 6286 N N . ALA A 1 6 ? -3.320 15.110 8.416 1.00 0.00 ? 6 ALA A N 12 ATOM 6287 C CA . ALA A 1 6 ? -1.892 15.196 8.657 1.00 0.00 ? 6 ALA A CA 12 ATOM 6288 C C . ALA A 1 6 ? -1.306 16.209 7.720 1.00 0.00 ? 6 ALA A C 12 ATOM 6289 O O . ALA A 1 6 ? -1.938 16.663 6.768 1.00 0.00 ? 6 ALA A O 12 ATOM 6290 C CB . ALA A 1 6 ? -1.145 13.844 8.505 1.00 0.00 ? 6 ALA A CB 12 ATOM 6291 H H . ALA A 1 6 ? -3.543 14.521 7.644 1.00 0.00 ? 6 ALA A H 12 ATOM 6292 H HA . ALA A 1 6 ? -1.718 15.545 9.669 1.00 0.00 ? 6 ALA A HA 12 ATOM 6293 H HB1 . ALA A 1 6 ? -1.250 13.399 7.489 1.00 0.00 ? 6 ALA A HB1 12 ATOM 6294 H HB2 . ALA A 1 6 ? -0.061 13.936 8.743 1.00 0.00 ? 6 ALA A HB2 12 ATOM 6295 H HB3 . ALA A 1 6 ? -1.563 13.123 9.239 1.00 0.00 ? 6 ALA A HB3 12 ATOM 6296 N N . LYS A 1 7 ? -0.039 16.576 8.002 1.00 0.00 ? 7 LYS A N 12 ATOM 6297 C CA . LYS A 1 7 ? 0.577 17.784 7.491 1.00 0.00 ? 7 LYS A CA 12 ATOM 6298 C C . LYS A 1 7 ? 1.475 17.497 6.287 1.00 0.00 ? 7 LYS A C 12 ATOM 6299 O O . LYS A 1 7 ? 2.093 18.399 5.720 1.00 0.00 ? 7 LYS A O 12 ATOM 6300 C CB . LYS A 1 7 ? 1.332 18.466 8.664 1.00 0.00 ? 7 LYS A CB 12 ATOM 6301 C CG . LYS A 1 7 ? 1.584 19.970 8.495 1.00 0.00 ? 7 LYS A CG 12 ATOM 6302 C CD . LYS A 1 7 ? 2.923 20.401 9.093 1.00 0.00 ? 7 LYS A CD 12 ATOM 6303 C CE . LYS A 1 7 ? 3.290 21.864 8.787 1.00 0.00 ? 7 LYS A CE 12 ATOM 6304 N NZ . LYS A 1 7 ? 4.740 22.095 9.018 1.00 0.00 ? 7 LYS A NZ 12 ATOM 6305 H H . LYS A 1 7 ? 0.411 16.170 8.790 1.00 0.00 ? 7 LYS A H 12 ATOM 6306 H HA . LYS A 1 7 ? -0.194 18.477 7.165 1.00 0.00 ? 7 LYS A HA 12 ATOM 6307 H HB2 . LYS A 1 7 ? 0.692 18.392 9.571 1.00 0.00 ? 7 LYS A HB2 12 ATOM 6308 H HB3 . LYS A 1 7 ? 2.274 17.922 8.903 1.00 0.00 ? 7 LYS A HB3 12 ATOM 6309 H HG2 . LYS A 1 7 ? 1.614 20.200 7.409 1.00 0.00 ? 7 LYS A HG2 12 ATOM 6310 H HG3 . LYS A 1 7 ? 0.738 20.549 8.930 1.00 0.00 ? 7 LYS A HG3 12 ATOM 6311 H HD2 . LYS A 1 7 ? 2.912 20.211 10.190 1.00 0.00 ? 7 LYS A HD2 12 ATOM 6312 H HD3 . LYS A 1 7 ? 3.676 19.721 8.635 1.00 0.00 ? 7 LYS A HD3 12 ATOM 6313 H HE2 . LYS A 1 7 ? 3.082 22.104 7.720 1.00 0.00 ? 7 LYS A HE2 12 ATOM 6314 H HE3 . LYS A 1 7 ? 2.709 22.561 9.429 1.00 0.00 ? 7 LYS A HE3 12 ATOM 6315 H HZ1 . LYS A 1 7 ? 5.012 21.657 9.921 1.00 0.00 ? 7 LYS A HZ1 12 ATOM 6316 H HZ2 . LYS A 1 7 ? 5.277 21.653 8.243 1.00 0.00 ? 7 LYS A HZ2 12 ATOM 6317 H HZ3 . LYS A 1 7 ? 4.955 23.114 9.046 1.00 0.00 ? 7 LYS A HZ3 12 ATOM 6318 N N . GLN A 1 8 ? 1.509 16.204 5.869 1.00 0.00 ? 8 GLN A N 12 ATOM 6319 C CA . GLN A 1 8 ? 2.077 15.721 4.626 1.00 0.00 ? 8 GLN A CA 12 ATOM 6320 C C . GLN A 1 8 ? 1.552 14.318 4.474 1.00 0.00 ? 8 GLN A C 12 ATOM 6321 O O . GLN A 1 8 ? 0.685 14.049 3.650 1.00 0.00 ? 8 GLN A O 12 ATOM 6322 C CB . GLN A 1 8 ? 3.641 15.719 4.540 1.00 0.00 ? 8 GLN A CB 12 ATOM 6323 C CG . GLN A 1 8 ? 4.208 15.237 3.180 1.00 0.00 ? 8 GLN A CG 12 ATOM 6324 C CD . GLN A 1 8 ? 5.725 15.353 3.136 1.00 0.00 ? 8 GLN A CD 12 ATOM 6325 O OE1 . GLN A 1 8 ? 6.435 14.366 2.982 1.00 0.00 ? 8 GLN A OE1 12 ATOM 6326 N NE2 . GLN A 1 8 ? 6.275 16.582 3.250 1.00 0.00 ? 8 GLN A NE2 12 ATOM 6327 H H . GLN A 1 8 ? 0.954 15.533 6.358 1.00 0.00 ? 8 GLN A H 12 ATOM 6328 H HA . GLN A 1 8 ? 1.673 16.311 3.813 1.00 0.00 ? 8 GLN A HA 12 ATOM 6329 H HB2 . GLN A 1 8 ? 3.968 16.770 4.687 1.00 0.00 ? 8 GLN A HB2 12 ATOM 6330 H HB3 . GLN A 1 8 ? 4.107 15.115 5.349 1.00 0.00 ? 8 GLN A HB3 12 ATOM 6331 H HG2 . GLN A 1 8 ? 3.964 14.165 3.017 1.00 0.00 ? 8 GLN A HG2 12 ATOM 6332 H HG3 . GLN A 1 8 ? 3.766 15.826 2.348 1.00 0.00 ? 8 GLN A HG3 12 ATOM 6333 H HE21 . GLN A 1 8 ? 5.693 17.385 3.366 1.00 0.00 ? 8 GLN A HE21 12 ATOM 6334 H HE22 . GLN A 1 8 ? 7.267 16.670 3.178 1.00 0.00 ? 8 GLN A HE22 12 ATOM 6335 N N . ALA A 1 9 ? 2.105 13.383 5.289 1.00 0.00 ? 9 ALA A N 12 ATOM 6336 C CA . ALA A 1 9 ? 1.914 11.946 5.164 1.00 0.00 ? 9 ALA A CA 12 ATOM 6337 C C . ALA A 1 9 ? 0.891 11.438 6.150 1.00 0.00 ? 9 ALA A C 12 ATOM 6338 O O . ALA A 1 9 ? -0.248 11.155 5.799 1.00 0.00 ? 9 ALA A O 12 ATOM 6339 C CB . ALA A 1 9 ? 3.251 11.171 5.368 1.00 0.00 ? 9 ALA A CB 12 ATOM 6340 H H . ALA A 1 9 ? 2.780 13.665 5.962 1.00 0.00 ? 9 ALA A H 12 ATOM 6341 H HA . ALA A 1 9 ? 1.543 11.696 4.174 1.00 0.00 ? 9 ALA A HA 12 ATOM 6342 H HB1 . ALA A 1 9 ? 3.737 11.373 6.349 1.00 0.00 ? 9 ALA A HB1 12 ATOM 6343 H HB2 . ALA A 1 9 ? 3.118 10.069 5.265 1.00 0.00 ? 9 ALA A HB2 12 ATOM 6344 H HB3 . ALA A 1 9 ? 3.975 11.477 4.581 1.00 0.00 ? 9 ALA A HB3 12 ATOM 6345 N N . SER A 1 10 ? 1.280 11.263 7.419 1.00 0.00 ? 10 SER A N 12 ATOM 6346 C CA . SER A 1 10 ? 0.535 10.496 8.388 1.00 0.00 ? 10 SER A CA 12 ATOM 6347 C C . SER A 1 10 ? 1.028 11.068 9.680 1.00 0.00 ? 10 SER A C 12 ATOM 6348 O O . SER A 1 10 ? 1.630 12.146 9.682 1.00 0.00 ? 10 SER A O 12 ATOM 6349 C CB . SER A 1 10 ? 0.824 8.961 8.296 1.00 0.00 ? 10 SER A CB 12 ATOM 6350 O OG . SER A 1 10 ? 0.434 8.429 7.029 1.00 0.00 ? 10 SER A OG 12 ATOM 6351 H H . SER A 1 10 ? 2.140 11.626 7.761 1.00 0.00 ? 10 SER A H 12 ATOM 6352 H HA . SER A 1 10 ? -0.523 10.708 8.318 1.00 0.00 ? 10 SER A HA 12 ATOM 6353 H HB2 . SER A 1 10 ? 1.914 8.766 8.425 1.00 0.00 ? 10 SER A HB2 12 ATOM 6354 H HB3 . SER A 1 10 ? 0.281 8.387 9.079 1.00 0.00 ? 10 SER A HB3 12 ATOM 6355 H HG . SER A 1 10 ? -0.467 8.714 6.834 1.00 0.00 ? 10 SER A HG 12 ATOM 6356 N N . GLN A 1 11 ? 0.889 10.323 10.813 1.00 0.00 ? 11 GLN A N 12 ATOM 6357 C CA . GLN A 1 11 ? 1.174 10.791 12.171 1.00 0.00 ? 11 GLN A CA 12 ATOM 6358 C C . GLN A 1 11 ? 2.653 10.998 12.443 1.00 0.00 ? 11 GLN A C 12 ATOM 6359 O O . GLN A 1 11 ? 3.030 11.760 13.318 1.00 0.00 ? 11 GLN A O 12 ATOM 6360 C CB . GLN A 1 11 ? 0.480 9.947 13.283 1.00 0.00 ? 11 GLN A CB 12 ATOM 6361 C CG . GLN A 1 11 ? 0.700 8.416 13.247 1.00 0.00 ? 11 GLN A CG 12 ATOM 6362 C CD . GLN A 1 11 ? -0.282 7.727 14.213 1.00 0.00 ? 11 GLN A CD 12 ATOM 6363 O OE1 . GLN A 1 11 ? -1.232 8.342 14.688 1.00 0.00 ? 11 GLN A OE1 12 ATOM 6364 N NE2 . GLN A 1 11 ? -0.078 6.418 14.498 1.00 0.00 ? 11 GLN A NE2 12 ATOM 6365 H H . GLN A 1 11 ? 0.503 9.406 10.789 1.00 0.00 ? 11 GLN A H 12 ATOM 6366 H HA . GLN A 1 11 ? 0.736 11.780 12.263 1.00 0.00 ? 11 GLN A HA 12 ATOM 6367 H HB2 . GLN A 1 11 ? 0.739 10.327 14.299 1.00 0.00 ? 11 GLN A HB2 12 ATOM 6368 H HB3 . GLN A 1 11 ? -0.610 10.132 13.155 1.00 0.00 ? 11 GLN A HB3 12 ATOM 6369 H HG2 . GLN A 1 11 ? 0.508 8.013 12.230 1.00 0.00 ? 11 GLN A HG2 12 ATOM 6370 H HG3 . GLN A 1 11 ? 1.744 8.166 13.540 1.00 0.00 ? 11 GLN A HG3 12 ATOM 6371 H HE21 . GLN A 1 11 ? 0.670 5.923 14.058 1.00 0.00 ? 11 GLN A HE21 12 ATOM 6372 H HE22 . GLN A 1 11 ? -0.687 5.958 15.139 1.00 0.00 ? 11 GLN A HE22 12 ATOM 6373 N N . ASP A 1 12 ? 3.531 10.443 11.566 1.00 0.00 ? 12 ASP A N 12 ATOM 6374 C CA . ASP A 1 12 ? 4.952 10.748 11.435 1.00 0.00 ? 12 ASP A CA 12 ATOM 6375 C C . ASP A 1 12 ? 5.255 12.147 10.859 1.00 0.00 ? 12 ASP A C 12 ATOM 6376 O O . ASP A 1 12 ? 6.323 12.705 11.100 1.00 0.00 ? 12 ASP A O 12 ATOM 6377 C CB . ASP A 1 12 ? 5.686 9.707 10.530 1.00 0.00 ? 12 ASP A CB 12 ATOM 6378 C CG . ASP A 1 12 ? 5.633 8.305 11.151 1.00 0.00 ? 12 ASP A CG 12 ATOM 6379 O OD1 . ASP A 1 12 ? 6.225 8.142 12.252 1.00 0.00 ? 12 ASP A OD1 12 ATOM 6380 O OD2 . ASP A 1 12 ? 4.974 7.421 10.533 1.00 0.00 ? 12 ASP A OD2 12 ATOM 6381 H H . ASP A 1 12 ? 3.228 9.706 10.968 1.00 0.00 ? 12 ASP A H 12 ATOM 6382 H HA . ASP A 1 12 ? 5.402 10.688 12.420 1.00 0.00 ? 12 ASP A HA 12 ATOM 6383 H HB2 . ASP A 1 12 ? 5.241 9.692 9.509 1.00 0.00 ? 12 ASP A HB2 12 ATOM 6384 H HB3 . ASP A 1 12 ? 6.761 9.952 10.429 1.00 0.00 ? 12 ASP A HB3 12 ATOM 6385 N N . ALA A 1 13 ? 4.316 12.796 10.110 1.00 0.00 ? 13 ALA A N 12 ATOM 6386 C CA . ALA A 1 13 ? 4.530 14.131 9.524 1.00 0.00 ? 13 ALA A CA 12 ATOM 6387 C C . ALA A 1 13 ? 3.920 15.174 10.420 1.00 0.00 ? 13 ALA A C 12 ATOM 6388 O O . ALA A 1 13 ? 4.182 16.371 10.296 1.00 0.00 ? 13 ALA A O 12 ATOM 6389 C CB . ALA A 1 13 ? 3.927 14.276 8.095 1.00 0.00 ? 13 ALA A CB 12 ATOM 6390 H H . ALA A 1 13 ? 3.408 12.394 9.922 1.00 0.00 ? 13 ALA A H 12 ATOM 6391 H HA . ALA A 1 13 ? 5.594 14.347 9.451 1.00 0.00 ? 13 ALA A HA 12 ATOM 6392 H HB1 . ALA A 1 13 ? 3.572 13.280 7.773 1.00 0.00 ? 13 ALA A HB1 12 ATOM 6393 H HB2 . ALA A 1 13 ? 3.074 14.985 7.991 1.00 0.00 ? 13 ALA A HB2 12 ATOM 6394 H HB3 . ALA A 1 13 ? 4.718 14.602 7.387 1.00 0.00 ? 13 ALA A HB3 12 ATOM 6395 N N . GLU A 1 14 ? 3.081 14.693 11.361 1.00 0.00 ? 14 GLU A N 12 ATOM 6396 C CA . GLU A 1 14 ? 2.457 15.413 12.432 1.00 0.00 ? 14 GLU A CA 12 ATOM 6397 C C . GLU A 1 14 ? 3.312 15.393 13.699 1.00 0.00 ? 14 GLU A C 12 ATOM 6398 O O . GLU A 1 14 ? 3.348 16.393 14.400 1.00 0.00 ? 14 GLU A O 12 ATOM 6399 C CB . GLU A 1 14 ? 1.026 14.880 12.669 1.00 0.00 ? 14 GLU A CB 12 ATOM 6400 C CG . GLU A 1 14 ? 0.164 15.904 13.408 1.00 0.00 ? 14 GLU A CG 12 ATOM 6401 C CD . GLU A 1 14 ? -1.268 15.430 13.581 1.00 0.00 ? 14 GLU A CD 12 ATOM 6402 O OE1 . GLU A 1 14 ? -1.667 14.392 12.982 1.00 0.00 ? 14 GLU A OE1 12 ATOM 6403 O OE2 . GLU A 1 14 ? -1.957 16.138 14.363 1.00 0.00 ? 14 GLU A OE2 12 ATOM 6404 H H . GLU A 1 14 ? 2.863 13.725 11.335 1.00 0.00 ? 14 GLU A H 12 ATOM 6405 H HA . GLU A 1 14 ? 2.361 16.450 12.137 1.00 0.00 ? 14 GLU A HA 12 ATOM 6406 H HB2 . GLU A 1 14 ? 0.556 14.716 11.673 1.00 0.00 ? 14 GLU A HB2 12 ATOM 6407 H HB3 . GLU A 1 14 ? 1.008 13.893 13.192 1.00 0.00 ? 14 GLU A HB3 12 ATOM 6408 H HG2 . GLU A 1 14 ? 0.596 16.055 14.416 1.00 0.00 ? 14 GLU A HG2 12 ATOM 6409 H HG3 . GLU A 1 14 ? 0.156 16.861 12.849 1.00 0.00 ? 14 GLU A HG3 12 ATOM 6410 N N . GLN A 1 15 ? 4.039 14.273 13.989 1.00 0.00 ? 15 GLN A N 12 ATOM 6411 C CA . GLN A 1 15 ? 4.907 14.071 15.150 1.00 0.00 ? 15 GLN A CA 12 ATOM 6412 C C . GLN A 1 15 ? 6.280 14.692 14.968 1.00 0.00 ? 15 GLN A C 12 ATOM 6413 O O . GLN A 1 15 ? 6.786 15.389 15.843 1.00 0.00 ? 15 GLN A O 12 ATOM 6414 C CB . GLN A 1 15 ? 5.086 12.556 15.461 1.00 0.00 ? 15 GLN A CB 12 ATOM 6415 C CG . GLN A 1 15 ? 5.922 12.159 16.700 1.00 0.00 ? 15 GLN A CG 12 ATOM 6416 C CD . GLN A 1 15 ? 5.142 12.469 17.973 1.00 0.00 ? 15 GLN A CD 12 ATOM 6417 O OE1 . GLN A 1 15 ? 4.033 11.980 18.178 1.00 0.00 ? 15 GLN A OE1 12 ATOM 6418 N NE2 . GLN A 1 15 ? 5.713 13.310 18.870 1.00 0.00 ? 15 GLN A NE2 12 ATOM 6419 H H . GLN A 1 15 ? 3.887 13.437 13.454 1.00 0.00 ? 15 GLN A H 12 ATOM 6420 H HA . GLN A 1 15 ? 4.440 14.536 16.007 1.00 0.00 ? 15 GLN A HA 12 ATOM 6421 H HB2 . GLN A 1 15 ? 4.068 12.122 15.589 1.00 0.00 ? 15 GLN A HB2 12 ATOM 6422 H HB3 . GLN A 1 15 ? 5.533 12.037 14.586 1.00 0.00 ? 15 GLN A HB3 12 ATOM 6423 H HG2 . GLN A 1 15 ? 6.068 11.060 16.663 1.00 0.00 ? 15 GLN A HG2 12 ATOM 6424 H HG3 . GLN A 1 15 ? 6.933 12.626 16.724 1.00 0.00 ? 15 GLN A HG3 12 ATOM 6425 H HE21 . GLN A 1 15 ? 6.595 13.779 18.680 1.00 0.00 ? 15 GLN A HE21 12 ATOM 6426 H HE22 . GLN A 1 15 ? 5.320 13.374 19.786 1.00 0.00 ? 15 GLN A HE22 12 ATOM 6427 N N . ALA A 1 16 ? 6.909 14.529 13.767 1.00 0.00 ? 16 ALA A N 12 ATOM 6428 C CA . ALA A 1 16 ? 8.259 15.022 13.460 1.00 0.00 ? 16 ALA A CA 12 ATOM 6429 C C . ALA A 1 16 ? 8.286 16.530 13.188 1.00 0.00 ? 16 ALA A C 12 ATOM 6430 O O . ALA A 1 16 ? 9.333 17.159 13.079 1.00 0.00 ? 16 ALA A O 12 ATOM 6431 C CB . ALA A 1 16 ? 8.905 14.245 12.279 1.00 0.00 ? 16 ALA A CB 12 ATOM 6432 H H . ALA A 1 16 ? 6.508 13.952 13.053 1.00 0.00 ? 16 ALA A H 12 ATOM 6433 H HA . ALA A 1 16 ? 8.892 14.838 14.322 1.00 0.00 ? 16 ALA A HA 12 ATOM 6434 H HB1 . ALA A 1 16 ? 8.892 13.155 12.506 1.00 0.00 ? 16 ALA A HB1 12 ATOM 6435 H HB2 . ALA A 1 16 ? 8.358 14.390 11.321 1.00 0.00 ? 16 ALA A HB2 12 ATOM 6436 H HB3 . ALA A 1 16 ? 9.968 14.536 12.126 1.00 0.00 ? 16 ALA A HB3 12 ATOM 6437 N N . ALA A 1 17 ? 7.065 17.125 13.158 1.00 0.00 ? 17 ALA A N 12 ATOM 6438 C CA . ALA A 1 17 ? 6.739 18.535 13.194 1.00 0.00 ? 17 ALA A CA 12 ATOM 6439 C C . ALA A 1 17 ? 6.543 19.015 14.618 1.00 0.00 ? 17 ALA A C 12 ATOM 6440 O O . ALA A 1 17 ? 6.627 20.206 14.895 1.00 0.00 ? 17 ALA A O 12 ATOM 6441 C CB . ALA A 1 17 ? 5.441 18.831 12.390 1.00 0.00 ? 17 ALA A CB 12 ATOM 6442 H H . ALA A 1 17 ? 6.294 16.500 13.179 1.00 0.00 ? 17 ALA A H 12 ATOM 6443 H HA . ALA A 1 17 ? 7.557 19.104 12.770 1.00 0.00 ? 17 ALA A HA 12 ATOM 6444 H HB1 . ALA A 1 17 ? 5.576 18.504 11.336 1.00 0.00 ? 17 ALA A HB1 12 ATOM 6445 H HB2 . ALA A 1 17 ? 4.559 18.283 12.794 1.00 0.00 ? 17 ALA A HB2 12 ATOM 6446 H HB3 . ALA A 1 17 ? 5.192 19.916 12.381 1.00 0.00 ? 17 ALA A HB3 12 ATOM 6447 N N . LYS A 1 18 ? 6.259 18.081 15.567 1.00 0.00 ? 18 LYS A N 12 ATOM 6448 C CA . LYS A 1 18 ? 5.957 18.342 16.972 1.00 0.00 ? 18 LYS A CA 12 ATOM 6449 C C . LYS A 1 18 ? 7.204 18.319 17.805 1.00 0.00 ? 18 LYS A C 12 ATOM 6450 O O . LYS A 1 18 ? 7.306 18.988 18.828 1.00 0.00 ? 18 LYS A O 12 ATOM 6451 C CB . LYS A 1 18 ? 4.875 17.421 17.592 1.00 0.00 ? 18 LYS A CB 12 ATOM 6452 C CG . LYS A 1 18 ? 3.493 17.931 17.208 1.00 0.00 ? 18 LYS A CG 12 ATOM 6453 C CD . LYS A 1 18 ? 2.366 16.914 17.408 1.00 0.00 ? 18 LYS A CD 12 ATOM 6454 C CE . LYS A 1 18 ? 0.969 17.539 17.285 1.00 0.00 ? 18 LYS A CE 12 ATOM 6455 N NZ . LYS A 1 18 ? 0.892 18.489 16.146 1.00 0.00 ? 18 LYS A NZ 12 ATOM 6456 H H . LYS A 1 18 ? 6.328 17.100 15.365 1.00 0.00 ? 18 LYS A H 12 ATOM 6457 H HA . LYS A 1 18 ? 5.533 19.327 17.054 1.00 0.00 ? 18 LYS A HA 12 ATOM 6458 H HB2 . LYS A 1 18 ? 5.020 16.368 17.268 1.00 0.00 ? 18 LYS A HB2 12 ATOM 6459 H HB3 . LYS A 1 18 ? 4.881 17.436 18.709 1.00 0.00 ? 18 LYS A HB3 12 ATOM 6460 H HG2 . LYS A 1 18 ? 3.299 18.850 17.812 1.00 0.00 ? 18 LYS A HG2 12 ATOM 6461 H HG3 . LYS A 1 18 ? 3.544 18.222 16.135 1.00 0.00 ? 18 LYS A HG3 12 ATOM 6462 H HD2 . LYS A 1 18 ? 2.501 16.096 16.668 1.00 0.00 ? 18 LYS A HD2 12 ATOM 6463 H HD3 . LYS A 1 18 ? 2.464 16.456 18.418 1.00 0.00 ? 18 LYS A HD3 12 ATOM 6464 H HE2 . LYS A 1 18 ? 0.191 16.756 17.153 1.00 0.00 ? 18 LYS A HE2 12 ATOM 6465 H HE3 . LYS A 1 18 ? 0.744 18.119 18.207 1.00 0.00 ? 18 LYS A HE3 12 ATOM 6466 H HZ1 . LYS A 1 18 ? 1.647 19.197 16.276 1.00 0.00 ? 18 LYS A HZ1 12 ATOM 6467 H HZ2 . LYS A 1 18 ? 1.034 17.980 15.250 1.00 0.00 ? 18 LYS A HZ2 12 ATOM 6468 H HZ3 . LYS A 1 18 ? -0.036 18.959 16.123 1.00 0.00 ? 18 LYS A HZ3 12 ATOM 6469 N N . ASP A 1 19 ? 8.238 17.575 17.367 1.00 0.00 ? 19 ASP A N 12 ATOM 6470 C CA . ASP A 1 19 ? 9.479 17.417 18.125 1.00 0.00 ? 19 ASP A CA 12 ATOM 6471 C C . ASP A 1 19 ? 10.469 18.496 17.738 1.00 0.00 ? 19 ASP A C 12 ATOM 6472 O O . ASP A 1 19 ? 11.538 18.630 18.321 1.00 0.00 ? 19 ASP A O 12 ATOM 6473 C CB . ASP A 1 19 ? 10.103 15.989 18.027 1.00 0.00 ? 19 ASP A CB 12 ATOM 6474 C CG . ASP A 1 19 ? 9.077 14.904 18.411 1.00 0.00 ? 19 ASP A CG 12 ATOM 6475 O OD1 . ASP A 1 19 ? 8.012 15.226 19.012 1.00 0.00 ? 19 ASP A OD1 12 ATOM 6476 O OD2 . ASP A 1 19 ? 9.334 13.720 18.080 1.00 0.00 ? 19 ASP A OD2 12 ATOM 6477 H H . ASP A 1 19 ? 8.113 16.953 16.595 1.00 0.00 ? 19 ASP A H 12 ATOM 6478 H HA . ASP A 1 19 ? 9.281 17.574 19.179 1.00 0.00 ? 19 ASP A HA 12 ATOM 6479 H HB2 . ASP A 1 19 ? 10.449 15.782 16.989 1.00 0.00 ? 19 ASP A HB2 12 ATOM 6480 H HB3 . ASP A 1 19 ? 10.973 15.895 18.716 1.00 0.00 ? 19 ASP A HB3 12 ATOM 6481 N N . ALA A 1 20 ? 10.067 19.349 16.763 1.00 0.00 ? 20 ALA A N 12 ATOM 6482 C CA . ALA A 1 20 ? 10.754 20.555 16.330 1.00 0.00 ? 20 ALA A CA 12 ATOM 6483 C C . ALA A 1 20 ? 10.292 21.770 17.117 1.00 0.00 ? 20 ALA A C 12 ATOM 6484 O O . ALA A 1 20 ? 11.083 22.686 17.347 1.00 0.00 ? 20 ALA A O 12 ATOM 6485 C CB . ALA A 1 20 ? 10.573 20.819 14.812 1.00 0.00 ? 20 ALA A CB 12 ATOM 6486 H H . ALA A 1 20 ? 9.186 19.148 16.340 1.00 0.00 ? 20 ALA A H 12 ATOM 6487 H HA . ALA A 1 20 ? 11.817 20.440 16.509 1.00 0.00 ? 20 ALA A HA 12 ATOM 6488 H HB1 . ALA A 1 20 ? 10.975 19.954 14.240 1.00 0.00 ? 20 ALA A HB1 12 ATOM 6489 H HB2 . ALA A 1 20 ? 9.502 20.940 14.527 1.00 0.00 ? 20 ALA A HB2 12 ATOM 6490 H HB3 . ALA A 1 20 ? 11.132 21.721 14.478 1.00 0.00 ? 20 ALA A HB3 12 ATOM 6491 N N . GLU A 1 21 ? 8.995 21.788 17.567 1.00 0.00 ? 21 GLU A N 12 ATOM 6492 C CA . GLU A 1 21 ? 8.381 22.853 18.360 1.00 0.00 ? 21 GLU A CA 12 ATOM 6493 C C . GLU A 1 21 ? 8.546 22.597 19.849 1.00 0.00 ? 21 GLU A C 12 ATOM 6494 O O . GLU A 1 21 ? 8.358 23.498 20.659 1.00 0.00 ? 21 GLU A O 12 ATOM 6495 C CB . GLU A 1 21 ? 6.859 23.037 18.043 1.00 0.00 ? 21 GLU A CB 12 ATOM 6496 C CG . GLU A 1 21 ? 6.077 21.708 18.051 1.00 0.00 ? 21 GLU A CG 12 ATOM 6497 C CD . GLU A 1 21 ? 4.564 21.833 18.157 1.00 0.00 ? 21 GLU A CD 12 ATOM 6498 O OE1 . GLU A 1 21 ? 4.137 22.455 19.168 1.00 0.00 ? 21 GLU A OE1 12 ATOM 6499 O OE2 . GLU A 1 21 ? 3.817 21.293 17.293 1.00 0.00 ? 21 GLU A OE2 12 ATOM 6500 H H . GLU A 1 21 ? 8.369 21.042 17.343 1.00 0.00 ? 21 GLU A H 12 ATOM 6501 H HA . GLU A 1 21 ? 8.878 23.798 18.156 1.00 0.00 ? 21 GLU A HA 12 ATOM 6502 H HB2 . GLU A 1 21 ? 6.375 23.778 18.723 1.00 0.00 ? 21 GLU A HB2 12 ATOM 6503 H HB3 . GLU A 1 21 ? 6.766 23.436 17.010 1.00 0.00 ? 21 GLU A HB3 12 ATOM 6504 H HG2 . GLU A 1 21 ? 6.339 21.163 17.126 1.00 0.00 ? 21 GLU A HG2 12 ATOM 6505 H HG3 . GLU A 1 21 ? 6.371 21.122 18.943 1.00 0.00 ? 21 GLU A HG3 12 ATOM 6506 N N . ASN A 1 22 ? 8.949 21.350 20.231 1.00 0.00 ? 22 ASN A N 12 ATOM 6507 C CA . ASN A 1 22 ? 9.128 20.875 21.608 1.00 0.00 ? 22 ASN A CA 12 ATOM 6508 C C . ASN A 1 22 ? 10.484 21.288 22.173 1.00 0.00 ? 22 ASN A C 12 ATOM 6509 O O . ASN A 1 22 ? 10.721 21.242 23.378 1.00 0.00 ? 22 ASN A O 12 ATOM 6510 C CB . ASN A 1 22 ? 8.914 19.328 21.787 1.00 0.00 ? 22 ASN A CB 12 ATOM 6511 C CG . ASN A 1 22 ? 7.451 18.997 22.121 1.00 0.00 ? 22 ASN A CG 12 ATOM 6512 O OD1 . ASN A 1 22 ? 6.962 19.603 23.073 1.00 0.00 ? 22 ASN A OD1 12 ATOM 6513 N ND2 . ASN A 1 22 ? 6.734 18.081 21.422 1.00 0.00 ? 22 ASN A ND2 12 ATOM 6514 H H . ASN A 1 22 ? 9.044 20.653 19.521 1.00 0.00 ? 22 ASN A H 12 ATOM 6515 H HA . ASN A 1 22 ? 8.386 21.363 22.220 1.00 0.00 ? 22 ASN A HA 12 ATOM 6516 H HB2 . ASN A 1 22 ? 9.256 18.790 20.883 1.00 0.00 ? 22 ASN A HB2 12 ATOM 6517 H HB3 . ASN A 1 22 ? 9.467 18.924 22.662 1.00 0.00 ? 22 ASN A HB3 12 ATOM 6518 H HD21 . ASN A 1 22 ? 7.045 17.775 20.514 1.00 0.00 ? 22 ASN A HD21 12 ATOM 6519 H HD22 . ASN A 1 22 ? 5.798 17.876 21.709 1.00 0.00 ? 22 ASN A HD22 12 ATOM 6520 N N . ALA A 1 23 ? 11.405 21.774 21.294 1.00 0.00 ? 23 ALA A N 12 ATOM 6521 C CA . ALA A 1 23 ? 12.775 22.167 21.653 1.00 0.00 ? 23 ALA A CA 12 ATOM 6522 C C . ALA A 1 23 ? 12.853 23.486 22.401 1.00 0.00 ? 23 ALA A C 12 ATOM 6523 O O . ALA A 1 23 ? 13.648 23.659 23.322 1.00 0.00 ? 23 ALA A O 12 ATOM 6524 C CB . ALA A 1 23 ? 13.705 22.257 20.416 1.00 0.00 ? 23 ALA A CB 12 ATOM 6525 H H . ALA A 1 23 ? 11.159 21.770 20.325 1.00 0.00 ? 23 ALA A H 12 ATOM 6526 H HA . ALA A 1 23 ? 13.184 21.400 22.303 1.00 0.00 ? 23 ALA A HA 12 ATOM 6527 H HB1 . ALA A 1 23 ? 13.670 21.292 19.867 1.00 0.00 ? 23 ALA A HB1 12 ATOM 6528 H HB2 . ALA A 1 23 ? 13.384 23.052 19.704 1.00 0.00 ? 23 ALA A HB2 12 ATOM 6529 H HB3 . ALA A 1 23 ? 14.772 22.440 20.684 1.00 0.00 ? 23 ALA A HB3 12 ATOM 6530 N N . SER A 1 24 ? 11.966 24.447 22.032 1.00 0.00 ? 24 SER A N 12 ATOM 6531 C CA . SER A 1 24 ? 11.794 25.742 22.661 1.00 0.00 ? 24 SER A CA 12 ATOM 6532 C C . SER A 1 24 ? 10.761 25.668 23.776 1.00 0.00 ? 24 SER A C 12 ATOM 6533 O O . SER A 1 24 ? 10.614 26.574 24.585 1.00 0.00 ? 24 SER A O 12 ATOM 6534 C CB . SER A 1 24 ? 11.461 26.830 21.613 1.00 0.00 ? 24 SER A CB 12 ATOM 6535 O OG . SER A 1 24 ? 10.525 26.341 20.660 1.00 0.00 ? 24 SER A OG 12 ATOM 6536 H H . SER A 1 24 ? 11.400 24.348 21.214 1.00 0.00 ? 24 SER A H 12 ATOM 6537 H HA . SER A 1 24 ? 12.726 26.036 23.110 1.00 0.00 ? 24 SER A HA 12 ATOM 6538 H HB2 . SER A 1 24 ? 11.110 27.786 22.066 1.00 0.00 ? 24 SER A HB2 12 ATOM 6539 H HB3 . SER A 1 24 ? 12.396 27.048 21.052 1.00 0.00 ? 24 SER A HB3 12 ATOM 6540 H HG . SER A 1 24 ? 9.645 26.577 20.982 1.00 0.00 ? 24 SER A HG 12 ATOM 6541 N N . LYS A 1 25 ? 10.083 24.506 23.872 1.00 0.00 ? 25 LYS A N 12 ATOM 6542 C CA . LYS A 1 25 ? 9.120 24.133 24.901 1.00 0.00 ? 25 LYS A CA 12 ATOM 6543 C C . LYS A 1 25 ? 9.733 23.429 26.094 1.00 0.00 ? 25 LYS A C 12 ATOM 6544 O O . LYS A 1 25 ? 9.083 23.299 27.119 1.00 0.00 ? 25 LYS A O 12 ATOM 6545 C CB . LYS A 1 25 ? 7.955 23.301 24.321 1.00 0.00 ? 25 LYS A CB 12 ATOM 6546 C CG . LYS A 1 25 ? 6.706 24.126 24.072 1.00 0.00 ? 25 LYS A CG 12 ATOM 6547 C CD . LYS A 1 25 ? 6.916 25.359 23.172 1.00 0.00 ? 25 LYS A CD 12 ATOM 6548 C CE . LYS A 1 25 ? 5.632 26.147 22.920 1.00 0.00 ? 25 LYS A CE 12 ATOM 6549 N NZ . LYS A 1 25 ? 4.605 25.267 22.313 1.00 0.00 ? 25 LYS A NZ 12 ATOM 6550 H H . LYS A 1 25 ? 10.284 23.780 23.216 1.00 0.00 ? 25 LYS A H 12 ATOM 6551 H HA . LYS A 1 25 ? 8.682 25.035 25.316 1.00 0.00 ? 25 LYS A HA 12 ATOM 6552 H HB2 . LYS A 1 25 ? 8.277 22.918 23.341 1.00 0.00 ? 25 LYS A HB2 12 ATOM 6553 H HB3 . LYS A 1 25 ? 7.649 22.424 24.945 1.00 0.00 ? 25 LYS A HB3 12 ATOM 6554 H HG2 . LYS A 1 25 ? 6.002 23.398 23.614 1.00 0.00 ? 25 LYS A HG2 12 ATOM 6555 H HG3 . LYS A 1 25 ? 6.317 24.448 25.064 1.00 0.00 ? 25 LYS A HG3 12 ATOM 6556 H HD2 . LYS A 1 25 ? 7.631 26.059 23.661 1.00 0.00 ? 25 LYS A HD2 12 ATOM 6557 H HD3 . LYS A 1 25 ? 7.370 25.056 22.206 1.00 0.00 ? 25 LYS A HD3 12 ATOM 6558 H HE2 . LYS A 1 25 ? 5.228 26.533 23.881 1.00 0.00 ? 25 LYS A HE2 12 ATOM 6559 H HE3 . LYS A 1 25 ? 5.819 27.002 22.235 1.00 0.00 ? 25 LYS A HE3 12 ATOM 6560 H HZ1 . LYS A 1 25 ? 4.511 24.431 22.923 1.00 0.00 ? 25 LYS A HZ1 12 ATOM 6561 H HZ2 . LYS A 1 25 ? 3.694 25.762 22.241 1.00 0.00 ? 25 LYS A HZ2 12 ATOM 6562 H HZ3 . LYS A 1 25 ? 4.924 24.947 21.375 1.00 0.00 ? 25 LYS A HZ3 12 ATOM 6563 N N . GLU A 1 26 ? 11.025 23.003 25.991 1.00 0.00 ? 26 GLU A N 12 ATOM 6564 C CA . GLU A 1 26 ? 11.905 22.769 27.135 1.00 0.00 ? 26 GLU A CA 12 ATOM 6565 C C . GLU A 1 26 ? 12.690 24.029 27.487 1.00 0.00 ? 26 GLU A C 12 ATOM 6566 O O . GLU A 1 26 ? 13.228 24.172 28.583 1.00 0.00 ? 26 GLU A O 12 ATOM 6567 C CB . GLU A 1 26 ? 12.919 21.616 26.890 1.00 0.00 ? 26 GLU A CB 12 ATOM 6568 C CG . GLU A 1 26 ? 12.232 20.244 26.771 1.00 0.00 ? 26 GLU A CG 12 ATOM 6569 C CD . GLU A 1 26 ? 13.249 19.132 27.008 1.00 0.00 ? 26 GLU A CD 12 ATOM 6570 O OE1 . GLU A 1 26 ? 13.855 19.187 28.109 1.00 0.00 ? 26 GLU A OE1 12 ATOM 6571 O OE2 . GLU A 1 26 ? 13.427 18.232 26.143 1.00 0.00 ? 26 GLU A OE2 12 ATOM 6572 H H . GLU A 1 26 ? 11.429 22.839 25.093 1.00 0.00 ? 26 GLU A H 12 ATOM 6573 H HA . GLU A 1 26 ? 11.320 22.506 28.007 1.00 0.00 ? 26 GLU A HA 12 ATOM 6574 H HB2 . GLU A 1 26 ? 13.516 21.783 25.965 1.00 0.00 ? 26 GLU A HB2 12 ATOM 6575 H HB3 . GLU A 1 26 ? 13.625 21.548 27.755 1.00 0.00 ? 26 GLU A HB3 12 ATOM 6576 H HG2 . GLU A 1 26 ? 11.468 20.165 27.573 1.00 0.00 ? 26 GLU A HG2 12 ATOM 6577 H HG3 . GLU A 1 26 ? 11.736 20.135 25.783 1.00 0.00 ? 26 GLU A HG3 12 ATOM 6578 N N . ALA A 1 27 ? 12.791 24.977 26.525 1.00 0.00 ? 27 ALA A N 12 ATOM 6579 C CA . ALA A 1 27 ? 13.677 26.133 26.581 1.00 0.00 ? 27 ALA A CA 12 ATOM 6580 C C . ALA A 1 27 ? 13.011 27.334 27.225 1.00 0.00 ? 27 ALA A C 12 ATOM 6581 O O . ALA A 1 27 ? 13.675 28.108 27.914 1.00 0.00 ? 27 ALA A O 12 ATOM 6582 C CB . ALA A 1 27 ? 14.196 26.508 25.180 1.00 0.00 ? 27 ALA A CB 12 ATOM 6583 H H . ALA A 1 27 ? 12.324 24.830 25.658 1.00 0.00 ? 27 ALA A H 12 ATOM 6584 H HA . ALA A 1 27 ? 14.548 25.873 27.174 1.00 0.00 ? 27 ALA A HA 12 ATOM 6585 H HB1 . ALA A 1 27 ? 14.412 25.577 24.613 1.00 0.00 ? 27 ALA A HB1 12 ATOM 6586 H HB2 . ALA A 1 27 ? 13.460 27.107 24.604 1.00 0.00 ? 27 ALA A HB2 12 ATOM 6587 H HB3 . ALA A 1 27 ? 15.138 27.091 25.233 1.00 0.00 ? 27 ALA A HB3 12 ATOM 6588 N N . GLU A 1 28 ? 11.656 27.473 27.055 1.00 0.00 ? 28 GLU A N 12 ATOM 6589 C CA . GLU A 1 28 ? 10.764 28.465 27.650 1.00 0.00 ? 28 GLU A CA 12 ATOM 6590 C C . GLU A 1 28 ? 10.610 28.353 29.160 1.00 0.00 ? 28 GLU A C 12 ATOM 6591 O O . GLU A 1 28 ? 10.162 29.301 29.797 1.00 0.00 ? 28 GLU A O 12 ATOM 6592 C CB . GLU A 1 28 ? 9.321 28.451 27.008 1.00 0.00 ? 28 GLU A CB 12 ATOM 6593 C CG . GLU A 1 28 ? 8.418 27.233 27.361 1.00 0.00 ? 28 GLU A CG 12 ATOM 6594 C CD . GLU A 1 28 ? 7.078 27.183 26.603 1.00 0.00 ? 28 GLU A CD 12 ATOM 6595 O OE1 . GLU A 1 28 ? 7.004 27.532 25.392 1.00 0.00 ? 28 GLU A OE1 12 ATOM 6596 O OE2 . GLU A 1 28 ? 6.105 26.716 27.252 1.00 0.00 ? 28 GLU A OE2 12 ATOM 6597 H H . GLU A 1 28 ? 11.206 26.947 26.326 1.00 0.00 ? 28 GLU A H 12 ATOM 6598 H HA . GLU A 1 28 ? 11.185 29.440 27.437 1.00 0.00 ? 28 GLU A HA 12 ATOM 6599 H HB2 . GLU A 1 28 ? 8.776 29.387 27.273 1.00 0.00 ? 28 GLU A HB2 12 ATOM 6600 H HB3 . GLU A 1 28 ? 9.441 28.465 25.904 1.00 0.00 ? 28 GLU A HB3 12 ATOM 6601 H HG2 . GLU A 1 28 ? 8.969 26.301 27.142 1.00 0.00 ? 28 GLU A HG2 12 ATOM 6602 H HG3 . GLU A 1 28 ? 8.181 27.234 28.448 1.00 0.00 ? 28 GLU A HG3 12 ATOM 6603 N N . GLU A 1 29 ? 10.998 27.200 29.794 1.00 0.00 ? 29 GLU A N 12 ATOM 6604 C CA . GLU A 1 29 ? 10.680 26.851 31.174 1.00 0.00 ? 29 GLU A CA 12 ATOM 6605 C C . GLU A 1 29 ? 11.652 27.415 32.202 1.00 0.00 ? 29 GLU A C 12 ATOM 6606 O O . GLU A 1 29 ? 11.462 27.255 33.412 1.00 0.00 ? 29 GLU A O 12 ATOM 6607 C CB . GLU A 1 29 ? 10.563 25.309 31.394 1.00 0.00 ? 29 GLU A CB 12 ATOM 6608 C CG . GLU A 1 29 ? 9.494 24.887 32.428 1.00 0.00 ? 29 GLU A CG 12 ATOM 6609 C CD . GLU A 1 29 ? 9.471 23.359 32.564 1.00 0.00 ? 29 GLU A CD 12 ATOM 6610 O OE1 . GLU A 1 29 ? 9.440 22.686 31.503 1.00 0.00 ? 29 GLU A OE1 12 ATOM 6611 O OE2 . GLU A 1 29 ? 9.493 22.861 33.720 1.00 0.00 ? 29 GLU A OE2 12 ATOM 6612 H H . GLU A 1 29 ? 11.420 26.463 29.275 1.00 0.00 ? 29 GLU A H 12 ATOM 6613 H HA . GLU A 1 29 ? 9.710 27.286 31.371 1.00 0.00 ? 29 GLU A HA 12 ATOM 6614 H HB2 . GLU A 1 29 ? 10.251 24.843 30.437 1.00 0.00 ? 29 GLU A HB2 12 ATOM 6615 H HB3 . GLU A 1 29 ? 11.535 24.826 31.655 1.00 0.00 ? 29 GLU A HB3 12 ATOM 6616 H HG2 . GLU A 1 29 ? 9.703 25.317 33.429 1.00 0.00 ? 29 GLU A HG2 12 ATOM 6617 H HG3 . GLU A 1 29 ? 8.500 25.238 32.086 1.00 0.00 ? 29 GLU A HG3 12 ATOM 6618 N N . ALA A 1 30 ? 12.697 28.164 31.751 1.00 0.00 ? 30 ALA A N 12 ATOM 6619 C CA . ALA A 1 30 ? 13.583 28.944 32.610 1.00 0.00 ? 30 ALA A CA 12 ATOM 6620 C C . ALA A 1 30 ? 12.936 30.265 33.028 1.00 0.00 ? 30 ALA A C 12 ATOM 6621 O O . ALA A 1 30 ? 12.901 30.607 34.207 1.00 0.00 ? 30 ALA A O 12 ATOM 6622 C CB . ALA A 1 30 ? 14.953 29.233 31.939 1.00 0.00 ? 30 ALA A CB 12 ATOM 6623 H H . ALA A 1 30 ? 12.859 28.219 30.766 1.00 0.00 ? 30 ALA A H 12 ATOM 6624 H HA . ALA A 1 30 ? 13.782 28.372 33.509 1.00 0.00 ? 30 ALA A HA 12 ATOM 6625 H HB1 . ALA A 1 30 ? 14.858 29.803 30.991 1.00 0.00 ? 30 ALA A HB1 12 ATOM 6626 H HB2 . ALA A 1 30 ? 15.626 29.802 32.618 1.00 0.00 ? 30 ALA A HB2 12 ATOM 6627 H HB3 . ALA A 1 30 ? 15.468 28.279 31.700 1.00 0.00 ? 30 ALA A HB3 12 ATOM 6628 N N . ALA A 1 31 ? 12.354 30.994 32.041 1.00 0.00 ? 31 ALA A N 12 ATOM 6629 C CA . ALA A 1 31 ? 11.644 32.257 32.202 1.00 0.00 ? 31 ALA A CA 12 ATOM 6630 C C . ALA A 1 31 ? 10.179 32.009 32.457 1.00 0.00 ? 31 ALA A C 12 ATOM 6631 O O . ALA A 1 31 ? 9.652 32.399 33.500 1.00 0.00 ? 31 ALA A O 12 ATOM 6632 C CB . ALA A 1 31 ? 11.781 33.137 30.927 1.00 0.00 ? 31 ALA A CB 12 ATOM 6633 H H . ALA A 1 31 ? 12.416 30.676 31.102 1.00 0.00 ? 31 ALA A H 12 ATOM 6634 H HA . ALA A 1 31 ? 12.007 32.794 33.072 1.00 0.00 ? 31 ALA A HA 12 ATOM 6635 H HB1 . ALA A 1 31 ? 11.438 32.613 30.008 1.00 0.00 ? 31 ALA A HB1 12 ATOM 6636 H HB2 . ALA A 1 31 ? 11.204 34.085 31.000 1.00 0.00 ? 31 ALA A HB2 12 ATOM 6637 H HB3 . ALA A 1 31 ? 12.845 33.407 30.767 1.00 0.00 ? 31 ALA A HB3 12 ATOM 6638 N N . LYS A 1 32 ? 9.523 31.336 31.473 1.00 0.00 ? 32 LYS A N 12 ATOM 6639 C CA . LYS A 1 32 ? 8.114 30.945 31.416 1.00 0.00 ? 32 LYS A CA 12 ATOM 6640 C C . LYS A 1 32 ? 7.253 32.127 31.023 1.00 0.00 ? 32 LYS A C 12 ATOM 6641 O O . LYS A 1 32 ? 6.729 32.816 31.894 1.00 0.00 ? 32 LYS A O 12 ATOM 6642 C CB . LYS A 1 32 ? 7.579 30.191 32.678 1.00 0.00 ? 32 LYS A CB 12 ATOM 6643 C CG . LYS A 1 32 ? 8.289 28.858 32.940 1.00 0.00 ? 32 LYS A CG 12 ATOM 6644 C CD . LYS A 1 32 ? 8.076 28.232 34.322 1.00 0.00 ? 32 LYS A CD 12 ATOM 6645 C CE . LYS A 1 32 ? 8.818 28.998 35.429 1.00 0.00 ? 32 LYS A CE 12 ATOM 6646 N NZ . LYS A 1 32 ? 8.910 28.191 36.674 1.00 0.00 ? 32 LYS A NZ 12 ATOM 6647 H H . LYS A 1 32 ? 10.040 30.973 30.684 1.00 0.00 ? 32 LYS A H 12 ATOM 6648 H HA . LYS A 1 32 ? 8.028 30.225 30.611 1.00 0.00 ? 32 LYS A HA 12 ATOM 6649 H HB2 . LYS A 1 32 ? 7.712 30.836 33.569 1.00 0.00 ? 32 LYS A HB2 12 ATOM 6650 H HB3 . LYS A 1 32 ? 6.502 29.942 32.560 1.00 0.00 ? 32 LYS A HB3 12 ATOM 6651 H HG2 . LYS A 1 32 ? 7.940 28.129 32.176 1.00 0.00 ? 32 LYS A HG2 12 ATOM 6652 H HG3 . LYS A 1 32 ? 9.381 29.011 32.813 1.00 0.00 ? 32 LYS A HG3 12 ATOM 6653 H HD2 . LYS A 1 32 ? 6.983 28.154 34.519 1.00 0.00 ? 32 LYS A HD2 12 ATOM 6654 H HD3 . LYS A 1 32 ? 8.490 27.200 34.255 1.00 0.00 ? 32 LYS A HD3 12 ATOM 6655 H HE2 . LYS A 1 32 ? 9.859 29.222 35.106 1.00 0.00 ? 32 LYS A HE2 12 ATOM 6656 H HE3 . LYS A 1 32 ? 8.294 29.952 35.660 1.00 0.00 ? 32 LYS A HE3 12 ATOM 6657 H HZ1 . LYS A 1 32 ? 8.162 27.469 36.688 1.00 0.00 ? 32 LYS A HZ1 12 ATOM 6658 H HZ2 . LYS A 1 32 ? 9.829 27.705 36.668 1.00 0.00 ? 32 LYS A HZ2 12 ATOM 6659 H HZ3 . LYS A 1 32 ? 8.842 28.806 37.516 1.00 0.00 ? 32 LYS A HZ3 12 ATOM 6660 N N . GLU A 1 33 ? 7.104 32.409 29.702 1.00 0.00 ? 33 GLU A N 12 ATOM 6661 C CA . GLU A 1 33 ? 6.325 33.558 29.221 1.00 0.00 ? 33 GLU A CA 12 ATOM 6662 C C . GLU A 1 33 ? 4.919 33.155 28.834 1.00 0.00 ? 33 GLU A C 12 ATOM 6663 O O . GLU A 1 33 ? 4.056 33.992 28.568 1.00 0.00 ? 33 GLU A O 12 ATOM 6664 C CB . GLU A 1 33 ? 6.982 34.251 27.994 1.00 0.00 ? 33 GLU A CB 12 ATOM 6665 C CG . GLU A 1 33 ? 7.229 33.353 26.748 1.00 0.00 ? 33 GLU A CG 12 ATOM 6666 C CD . GLU A 1 33 ? 8.705 33.065 26.622 1.00 0.00 ? 33 GLU A CD 12 ATOM 6667 O OE1 . GLU A 1 33 ? 9.168 32.137 27.350 1.00 0.00 ? 33 GLU A OE1 12 ATOM 6668 O OE2 . GLU A 1 33 ? 9.376 33.787 25.836 1.00 0.00 ? 33 GLU A OE2 12 ATOM 6669 H H . GLU A 1 33 ? 7.659 31.907 29.028 1.00 0.00 ? 33 GLU A H 12 ATOM 6670 H HA . GLU A 1 33 ? 6.233 34.306 30.001 1.00 0.00 ? 33 GLU A HA 12 ATOM 6671 H HB2 . GLU A 1 33 ? 6.368 35.116 27.657 1.00 0.00 ? 33 GLU A HB2 12 ATOM 6672 H HB3 . GLU A 1 33 ? 7.943 34.692 28.346 1.00 0.00 ? 33 GLU A HB3 12 ATOM 6673 H HG2 . GLU A 1 33 ? 6.699 32.378 26.769 1.00 0.00 ? 33 GLU A HG2 12 ATOM 6674 H HG3 . GLU A 1 33 ? 6.911 33.887 25.827 1.00 0.00 ? 33 GLU A HG3 12 ATOM 6675 N N . ALA A 1 34 ? 4.740 31.814 28.714 1.00 0.00 ? 34 ALA A N 12 ATOM 6676 C CA . ALA A 1 34 ? 3.515 31.090 28.440 1.00 0.00 ? 34 ALA A CA 12 ATOM 6677 C C . ALA A 1 34 ? 2.815 30.687 29.714 1.00 0.00 ? 34 ALA A C 12 ATOM 6678 O O . ALA A 1 34 ? 1.675 31.064 29.958 1.00 0.00 ? 34 ALA A O 12 ATOM 6679 C CB . ALA A 1 34 ? 3.751 29.827 27.564 1.00 0.00 ? 34 ALA A CB 12 ATOM 6680 H H . ALA A 1 34 ? 5.538 31.260 28.933 1.00 0.00 ? 34 ALA A H 12 ATOM 6681 H HA . ALA A 1 34 ? 2.839 31.758 27.916 1.00 0.00 ? 34 ALA A HA 12 ATOM 6682 H HB1 . ALA A 1 34 ? 4.249 30.119 26.616 1.00 0.00 ? 34 ALA A HB1 12 ATOM 6683 H HB2 . ALA A 1 34 ? 4.394 29.053 28.044 1.00 0.00 ? 34 ALA A HB2 12 ATOM 6684 H HB3 . ALA A 1 34 ? 2.781 29.351 27.293 1.00 0.00 ? 34 ALA A HB3 12 ATOM 6685 N N . VAL A 1 35 ? 3.504 29.867 30.552 1.00 0.00 ? 35 VAL A N 12 ATOM 6686 C CA . VAL A 1 35 ? 2.905 29.070 31.621 1.00 0.00 ? 35 VAL A CA 12 ATOM 6687 C C . VAL A 1 35 ? 3.106 29.754 32.974 1.00 0.00 ? 35 VAL A C 12 ATOM 6688 O O . VAL A 1 35 ? 2.974 29.155 34.041 1.00 0.00 ? 35 VAL A O 12 ATOM 6689 C CB . VAL A 1 35 ? 3.424 27.622 31.521 1.00 0.00 ? 35 VAL A CB 12 ATOM 6690 C CG1 . VAL A 1 35 ? 4.915 27.461 31.909 1.00 0.00 ? 35 VAL A CG1 12 ATOM 6691 C CG2 . VAL A 1 35 ? 2.518 26.622 32.261 1.00 0.00 ? 35 VAL A CG2 12 ATOM 6692 H H . VAL A 1 35 ? 4.445 29.630 30.341 1.00 0.00 ? 35 VAL A H 12 ATOM 6693 H HA . VAL A 1 35 ? 1.832 29.016 31.470 1.00 0.00 ? 35 VAL A HA 12 ATOM 6694 H HB . VAL A 1 35 ? 3.354 27.328 30.449 1.00 0.00 ? 35 VAL A HB 12 ATOM 6695 H HG11 . VAL A 1 35 ? 5.558 28.140 31.313 1.00 0.00 ? 35 VAL A HG11 12 ATOM 6696 H HG12 . VAL A 1 35 ? 5.073 27.671 32.988 1.00 0.00 ? 35 VAL A HG12 12 ATOM 6697 H HG13 . VAL A 1 35 ? 5.253 26.417 31.719 1.00 0.00 ? 35 VAL A HG13 12 ATOM 6698 H HG21 . VAL A 1 35 ? 1.464 26.738 31.932 1.00 0.00 ? 35 VAL A HG21 12 ATOM 6699 H HG22 . VAL A 1 35 ? 2.838 25.580 32.029 1.00 0.00 ? 35 VAL A HG22 12 ATOM 6700 H HG23 . VAL A 1 35 ? 2.568 26.773 33.361 1.00 0.00 ? 35 VAL A HG23 12 ATOM 6701 N N . ASN A 1 36 ? 3.449 31.062 32.932 1.00 0.00 ? 36 ASN A N 12 ATOM 6702 C CA . ASN A 1 36 ? 3.645 31.965 34.034 1.00 0.00 ? 36 ASN A CA 12 ATOM 6703 C C . ASN A 1 36 ? 3.512 33.261 33.269 1.00 0.00 ? 36 ASN A C 12 ATOM 6704 O O . ASN A 1 36 ? 3.731 33.214 32.065 1.00 0.00 ? 36 ASN A O 12 ATOM 6705 C CB . ASN A 1 36 ? 5.069 31.774 34.637 1.00 0.00 ? 36 ASN A CB 12 ATOM 6706 C CG . ASN A 1 36 ? 5.403 32.789 35.708 1.00 0.00 ? 36 ASN A CG 12 ATOM 6707 O OD1 . ASN A 1 36 ? 4.490 33.136 36.454 1.00 0.00 ? 36 ASN A OD1 12 ATOM 6708 N ND2 . ASN A 1 36 ? 6.659 33.309 35.769 1.00 0.00 ? 36 ASN A ND2 12 ATOM 6709 H H . ASN A 1 36 ? 3.534 31.565 32.063 1.00 0.00 ? 36 ASN A H 12 ATOM 6710 H HA . ASN A 1 36 ? 2.850 31.876 34.762 1.00 0.00 ? 36 ASN A HA 12 ATOM 6711 H HB2 . ASN A 1 36 ? 5.145 30.756 35.071 1.00 0.00 ? 36 ASN A HB2 12 ATOM 6712 H HB3 . ASN A 1 36 ? 5.811 31.859 33.824 1.00 0.00 ? 36 ASN A HB3 12 ATOM 6713 H HD21 . ASN A 1 36 ? 7.375 33.061 35.104 1.00 0.00 ? 36 ASN A HD21 12 ATOM 6714 H HD22 . ASN A 1 36 ? 6.742 34.171 36.314 1.00 0.00 ? 36 ASN A HD22 12 ATOM 6715 N N . LEU A 1 37 ? 3.205 34.407 33.929 1.00 0.00 ? 37 LEU A N 12 ATOM 6716 C CA . LEU A 1 37 ? 3.183 35.718 33.303 1.00 0.00 ? 37 LEU A CA 12 ATOM 6717 C C . LEU A 1 37 ? 3.441 36.678 34.444 1.00 0.00 ? 37 LEU A C 12 ATOM 6718 O O . LEU A 1 37 ? 2.960 37.810 34.420 1.00 0.00 ? 37 LEU A O 12 ATOM 6719 C CB . LEU A 1 37 ? 1.804 36.087 32.612 1.00 0.00 ? 37 LEU A CB 12 ATOM 6720 C CG . LEU A 1 37 ? 1.663 36.042 31.064 1.00 0.00 ? 37 LEU A CG 12 ATOM 6721 C CD1 . LEU A 1 37 ? 2.680 36.911 30.293 1.00 0.00 ? 37 LEU A CD1 12 ATOM 6722 C CD2 . LEU A 1 37 ? 1.532 34.638 30.458 1.00 0.00 ? 37 LEU A CD2 12 ATOM 6723 H H . LEU A 1 37 ? 3.040 34.409 34.917 1.00 0.00 ? 37 LEU A H 12 ATOM 6724 H HA . LEU A 1 37 ? 4.007 35.817 32.610 1.00 0.00 ? 37 LEU A HA 12 ATOM 6725 H HB2 . LEU A 1 37 ? 1.014 35.438 33.043 1.00 0.00 ? 37 LEU A HB2 12 ATOM 6726 H HB3 . LEU A 1 37 ? 1.494 37.138 32.809 1.00 0.00 ? 37 LEU A HB3 12 ATOM 6727 H HG . LEU A 1 37 ? 0.671 36.505 30.872 1.00 0.00 ? 37 LEU A HG 12 ATOM 6728 H HD11 . LEU A 1 37 ? 2.708 37.944 30.701 1.00 0.00 ? 37 LEU A HD11 12 ATOM 6729 H HD12 . LEU A 1 37 ? 3.706 36.482 30.334 1.00 0.00 ? 37 LEU A HD12 12 ATOM 6730 H HD13 . LEU A 1 37 ? 2.378 36.972 29.225 1.00 0.00 ? 37 LEU A HD13 12 ATOM 6731 H HD21 . LEU A 1 37 ? 0.869 33.987 31.066 1.00 0.00 ? 37 LEU A HD21 12 ATOM 6732 H HD22 . LEU A 1 37 ? 1.136 34.685 29.423 1.00 0.00 ? 37 LEU A HD22 12 ATOM 6733 H HD23 . LEU A 1 37 ? 2.528 34.167 30.398 1.00 0.00 ? 37 LEU A HD23 12 ATOM 6734 N N . LYS A 1 38 ? 4.169 36.286 35.515 1.00 0.00 ? 38 LYS A N 12 ATOM 6735 C CA . LYS A 1 38 ? 4.383 37.166 36.634 1.00 0.00 ? 38 LYS A CA 12 ATOM 6736 C C . LYS A 1 38 ? 5.613 36.637 37.389 1.00 0.00 ? 38 LYS A C 12 ATOM 6737 O O . LYS A 1 38 ? 6.212 35.612 36.971 1.00 0.00 ? 38 LYS A O 12 ATOM 6738 C CB . LYS A 1 38 ? 3.177 37.191 37.617 1.00 0.00 ? 38 LYS A CB 12 ATOM 6739 C CG . LYS A 1 38 ? 2.692 35.793 38.055 1.00 0.00 ? 38 LYS A CG 12 ATOM 6740 C CD . LYS A 1 38 ? 2.475 35.621 39.559 1.00 0.00 ? 38 LYS A CD 12 ATOM 6741 C CE . LYS A 1 38 ? 3.727 35.235 40.356 1.00 0.00 ? 38 LYS A CE 12 ATOM 6742 N NZ . LYS A 1 38 ? 4.736 36.309 40.448 1.00 0.00 ? 38 LYS A NZ 12 ATOM 6743 O OXT . LYS A 1 38 ? 5.952 37.258 38.441 1.00 0.00 ? 38 LYS A OXT 12 ATOM 6744 H H . LYS A 1 38 ? 4.657 35.413 35.634 1.00 0.00 ? 38 LYS A H 12 ATOM 6745 H HA . LYS A 1 38 ? 4.612 38.173 36.294 1.00 0.00 ? 38 LYS A HA 12 ATOM 6746 H HB2 . LYS A 1 38 ? 3.426 37.850 38.476 1.00 0.00 ? 38 LYS A HB2 12 ATOM 6747 H HB3 . LYS A 1 38 ? 2.313 37.664 37.104 1.00 0.00 ? 38 LYS A HB3 12 ATOM 6748 H HG2 . LYS A 1 38 ? 1.719 35.626 37.542 1.00 0.00 ? 38 LYS A HG2 12 ATOM 6749 H HG3 . LYS A 1 38 ? 3.371 34.980 37.710 1.00 0.00 ? 38 LYS A HG3 12 ATOM 6750 H HD2 . LYS A 1 38 ? 1.941 36.493 39.991 1.00 0.00 ? 38 LYS A HD2 12 ATOM 6751 H HD3 . LYS A 1 38 ? 1.816 34.736 39.658 1.00 0.00 ? 38 LYS A HD3 12 ATOM 6752 H HE2 . LYS A 1 38 ? 3.423 35.019 41.399 1.00 0.00 ? 38 LYS A HE2 12 ATOM 6753 H HE3 . LYS A 1 38 ? 4.219 34.343 39.913 1.00 0.00 ? 38 LYS A HE3 12 ATOM 6754 H HZ1 . LYS A 1 38 ? 5.110 36.664 39.508 1.00 0.00 ? 38 LYS A HZ1 12 ATOM 6755 H HZ2 . LYS A 1 38 ? 4.366 37.137 40.948 1.00 0.00 ? 38 LYS A HZ2 12 ATOM 6756 H HZ3 . LYS A 1 38 ? 5.588 35.931 40.901 1.00 0.00 ? 38 LYS A HZ3 12 ATOM 6757 N N . GLU A 1 1 ? 12.280 9.314 18.198 1.00 0.00 ? 1 GLU A N 13 ATOM 6758 C CA . GLU A 1 1 ? 11.308 8.696 17.261 1.00 0.00 ? 1 GLU A CA 13 ATOM 6759 C C . GLU A 1 1 ? 10.910 9.789 16.320 1.00 0.00 ? 1 GLU A C 13 ATOM 6760 O O . GLU A 1 1 ? 10.818 10.944 16.733 1.00 0.00 ? 1 GLU A O 13 ATOM 6761 C CB . GLU A 1 1 ? 10.101 8.069 18.033 1.00 0.00 ? 1 GLU A CB 13 ATOM 6762 C CG . GLU A 1 1 ? 8.995 7.432 17.157 1.00 0.00 ? 1 GLU A CG 13 ATOM 6763 C CD . GLU A 1 1 ? 9.645 6.471 16.165 1.00 0.00 ? 1 GLU A CD 13 ATOM 6764 O OE1 . GLU A 1 1 ? 9.925 5.317 16.573 1.00 0.00 ? 1 GLU A OE1 13 ATOM 6765 O OE2 . GLU A 1 1 ? 9.960 6.907 15.020 1.00 0.00 ? 1 GLU A OE2 13 ATOM 6766 H H1 . GLU A 1 1 ? 13.035 9.776 17.633 1.00 0.00 ? 1 GLU A H1 13 ATOM 6767 H H2 . GLU A 1 1 ? 11.787 10.045 18.741 1.00 0.00 ? 1 GLU A H2 13 ATOM 6768 H H3 . GLU A 1 1 ? 12.695 8.605 18.831 1.00 0.00 ? 1 GLU A H3 13 ATOM 6769 H HA . GLU A 1 1 ? 11.830 7.934 16.704 1.00 0.00 ? 1 GLU A HA 13 ATOM 6770 H HB2 . GLU A 1 1 ? 10.492 7.237 18.660 1.00 0.00 ? 1 GLU A HB2 13 ATOM 6771 H HB3 . GLU A 1 1 ? 9.615 8.815 18.698 1.00 0.00 ? 1 GLU A HB3 13 ATOM 6772 H HG2 . GLU A 1 1 ? 8.289 6.859 17.798 1.00 0.00 ? 1 GLU A HG2 13 ATOM 6773 H HG3 . GLU A 1 1 ? 8.403 8.206 16.618 1.00 0.00 ? 1 GLU A HG3 13 ATOM 6774 N N . ALA A 1 2 ? 10.725 9.416 15.020 1.00 0.00 ? 2 ALA A N 13 ATOM 6775 C CA . ALA A 1 2 ? 10.454 10.240 13.863 1.00 0.00 ? 2 ALA A CA 13 ATOM 6776 C C . ALA A 1 2 ? 11.678 11.013 13.369 1.00 0.00 ? 2 ALA A C 13 ATOM 6777 O O . ALA A 1 2 ? 12.628 11.265 14.113 1.00 0.00 ? 2 ALA A O 13 ATOM 6778 C CB . ALA A 1 2 ? 9.176 11.104 14.011 1.00 0.00 ? 2 ALA A CB 13 ATOM 6779 H H . ALA A 1 2 ? 10.622 8.411 14.834 1.00 0.00 ? 2 ALA A H 13 ATOM 6780 H HA . ALA A 1 2 ? 10.223 9.516 13.096 1.00 0.00 ? 2 ALA A HA 13 ATOM 6781 H HB1 . ALA A 1 2 ? 8.333 10.457 14.344 1.00 0.00 ? 2 ALA A HB1 13 ATOM 6782 H HB2 . ALA A 1 2 ? 9.314 11.903 14.773 1.00 0.00 ? 2 ALA A HB2 13 ATOM 6783 H HB3 . ALA A 1 2 ? 8.875 11.579 13.058 1.00 0.00 ? 2 ALA A HB3 13 ATOM 6784 N N . TYR A 1 3 ? 11.692 11.377 12.066 1.00 0.00 ? 3 TYR A N 13 ATOM 6785 C CA . TYR A 1 3 ? 12.783 12.122 11.459 1.00 0.00 ? 3 TYR A CA 13 ATOM 6786 C C . TYR A 1 3 ? 12.269 12.877 10.259 1.00 0.00 ? 3 TYR A C 13 ATOM 6787 O O . TYR A 1 3 ? 12.433 14.087 10.174 1.00 0.00 ? 3 TYR A O 13 ATOM 6788 C CB . TYR A 1 3 ? 14.102 11.320 11.135 1.00 0.00 ? 3 TYR A CB 13 ATOM 6789 C CG . TYR A 1 3 ? 13.937 10.006 10.403 1.00 0.00 ? 3 TYR A CG 13 ATOM 6790 C CD1 . TYR A 1 3 ? 13.796 8.801 11.115 1.00 0.00 ? 3 TYR A CD1 13 ATOM 6791 C CD2 . TYR A 1 3 ? 14.029 9.946 9.001 1.00 0.00 ? 3 TYR A CD2 13 ATOM 6792 C CE1 . TYR A 1 3 ? 13.761 7.563 10.453 1.00 0.00 ? 3 TYR A CE1 13 ATOM 6793 C CE2 . TYR A 1 3 ? 13.976 8.717 8.327 1.00 0.00 ? 3 TYR A CE2 13 ATOM 6794 C CZ . TYR A 1 3 ? 13.855 7.522 9.051 1.00 0.00 ? 3 TYR A CZ 13 ATOM 6795 O OH . TYR A 1 3 ? 13.861 6.284 8.365 1.00 0.00 ? 3 TYR A OH 13 ATOM 6796 H H . TYR A 1 3 ? 10.918 11.167 11.481 1.00 0.00 ? 3 TYR A H 13 ATOM 6797 H HA . TYR A 1 3 ? 13.074 12.901 12.156 1.00 0.00 ? 3 TYR A HA 13 ATOM 6798 H HB2 . TYR A 1 3 ? 14.838 11.942 10.576 1.00 0.00 ? 3 TYR A HB2 13 ATOM 6799 H HB3 . TYR A 1 3 ? 14.587 11.084 12.107 1.00 0.00 ? 3 TYR A HB3 13 ATOM 6800 H HD1 . TYR A 1 3 ? 13.746 8.818 12.194 1.00 0.00 ? 3 TYR A HD1 13 ATOM 6801 H HD2 . TYR A 1 3 ? 14.167 10.857 8.441 1.00 0.00 ? 3 TYR A HD2 13 ATOM 6802 H HE1 . TYR A 1 3 ? 13.675 6.657 11.036 1.00 0.00 ? 3 TYR A HE1 13 ATOM 6803 H HE2 . TYR A 1 3 ? 14.060 8.698 7.250 1.00 0.00 ? 3 TYR A HE2 13 ATOM 6804 H HH . TYR A 1 3 ? 13.970 5.573 9.000 1.00 0.00 ? 3 TYR A HH 13 ATOM 6805 N N . LYS A 1 4 ? 11.644 12.193 9.276 1.00 0.00 ? 4 LYS A N 13 ATOM 6806 C CA . LYS A 1 4 ? 11.216 12.820 8.042 1.00 0.00 ? 4 LYS A CA 13 ATOM 6807 C C . LYS A 1 4 ? 10.079 11.947 7.599 1.00 0.00 ? 4 LYS A C 13 ATOM 6808 O O . LYS A 1 4 ? 10.291 10.824 7.147 1.00 0.00 ? 4 LYS A O 13 ATOM 6809 C CB . LYS A 1 4 ? 12.372 12.887 6.991 1.00 0.00 ? 4 LYS A CB 13 ATOM 6810 C CG . LYS A 1 4 ? 12.303 14.039 5.973 1.00 0.00 ? 4 LYS A CG 13 ATOM 6811 C CD . LYS A 1 4 ? 11.398 13.824 4.757 1.00 0.00 ? 4 LYS A CD 13 ATOM 6812 C CE . LYS A 1 4 ? 11.582 14.955 3.730 1.00 0.00 ? 4 LYS A CE 13 ATOM 6813 N NZ . LYS A 1 4 ? 10.775 14.719 2.508 1.00 0.00 ? 4 LYS A NZ 13 ATOM 6814 H H . LYS A 1 4 ? 11.548 11.199 9.308 1.00 0.00 ? 4 LYS A H 13 ATOM 6815 H HA . LYS A 1 4 ? 10.840 13.816 8.241 1.00 0.00 ? 4 LYS A HA 13 ATOM 6816 H HB2 . LYS A 1 4 ? 13.289 13.147 7.566 1.00 0.00 ? 4 LYS A HB2 13 ATOM 6817 H HB3 . LYS A 1 4 ? 12.585 11.909 6.503 1.00 0.00 ? 4 LYS A HB3 13 ATOM 6818 H HG2 . LYS A 1 4 ? 12.033 14.981 6.498 1.00 0.00 ? 4 LYS A HG2 13 ATOM 6819 H HG3 . LYS A 1 4 ? 13.337 14.166 5.582 1.00 0.00 ? 4 LYS A HG3 13 ATOM 6820 H HD2 . LYS A 1 4 ? 11.672 12.847 4.301 1.00 0.00 ? 4 LYS A HD2 13 ATOM 6821 H HD3 . LYS A 1 4 ? 10.342 13.764 5.098 1.00 0.00 ? 4 LYS A HD3 13 ATOM 6822 H HE2 . LYS A 1 4 ? 11.271 15.930 4.167 1.00 0.00 ? 4 LYS A HE2 13 ATOM 6823 H HE3 . LYS A 1 4 ? 12.648 15.023 3.420 1.00 0.00 ? 4 LYS A HE3 13 ATOM 6824 H HZ1 . LYS A 1 4 ? 11.020 13.796 2.097 1.00 0.00 ? 4 LYS A HZ1 13 ATOM 6825 H HZ2 . LYS A 1 4 ? 9.764 14.732 2.753 1.00 0.00 ? 4 LYS A HZ2 13 ATOM 6826 H HZ3 . LYS A 1 4 ? 10.973 15.465 1.807 1.00 0.00 ? 4 LYS A HZ3 13 ATOM 6827 N N . LYS A 1 5 ? 8.826 12.411 7.778 1.00 0.00 ? 5 LYS A N 13 ATOM 6828 C CA . LYS A 1 5 ? 7.643 11.608 7.625 1.00 0.00 ? 5 LYS A CA 13 ATOM 6829 C C . LYS A 1 5 ? 6.682 12.633 7.121 1.00 0.00 ? 5 LYS A C 13 ATOM 6830 O O . LYS A 1 5 ? 6.896 13.823 7.367 1.00 0.00 ? 5 LYS A O 13 ATOM 6831 C CB . LYS A 1 5 ? 7.176 11.029 9.000 1.00 0.00 ? 5 LYS A CB 13 ATOM 6832 C CG . LYS A 1 5 ? 6.797 9.539 9.034 1.00 0.00 ? 5 LYS A CG 13 ATOM 6833 C CD . LYS A 1 5 ? 5.470 9.138 8.349 1.00 0.00 ? 5 LYS A CD 13 ATOM 6834 C CE . LYS A 1 5 ? 4.918 7.762 8.787 1.00 0.00 ? 5 LYS A CE 13 ATOM 6835 N NZ . LYS A 1 5 ? 5.955 6.700 8.705 1.00 0.00 ? 5 LYS A NZ 13 ATOM 6836 H H . LYS A 1 5 ? 8.596 13.349 8.061 1.00 0.00 ? 5 LYS A H 13 ATOM 6837 H HA . LYS A 1 5 ? 7.790 10.836 6.877 1.00 0.00 ? 5 LYS A HA 13 ATOM 6838 H HB2 . LYS A 1 5 ? 8.078 11.054 9.651 1.00 0.00 ? 5 LYS A HB2 13 ATOM 6839 H HB3 . LYS A 1 5 ? 6.410 11.644 9.532 1.00 0.00 ? 5 LYS A HB3 13 ATOM 6840 H HG2 . LYS A 1 5 ? 7.657 8.980 8.600 1.00 0.00 ? 5 LYS A HG2 13 ATOM 6841 H HG3 . LYS A 1 5 ? 6.723 9.282 10.116 1.00 0.00 ? 5 LYS A HG3 13 ATOM 6842 H HD2 . LYS A 1 5 ? 4.699 9.900 8.608 1.00 0.00 ? 5 LYS A HD2 13 ATOM 6843 H HD3 . LYS A 1 5 ? 5.610 9.154 7.246 1.00 0.00 ? 5 LYS A HD3 13 ATOM 6844 H HE2 . LYS A 1 5 ? 4.594 7.817 9.850 1.00 0.00 ? 5 LYS A HE2 13 ATOM 6845 H HE3 . LYS A 1 5 ? 4.053 7.452 8.162 1.00 0.00 ? 5 LYS A HE3 13 ATOM 6846 H HZ1 . LYS A 1 5 ? 6.839 7.106 9.078 1.00 0.00 ? 5 LYS A HZ1 13 ATOM 6847 H HZ2 . LYS A 1 5 ? 5.679 5.904 9.318 1.00 0.00 ? 5 LYS A HZ2 13 ATOM 6848 H HZ3 . LYS A 1 5 ? 6.095 6.357 7.731 1.00 0.00 ? 5 LYS A HZ3 13 ATOM 6849 N N . ALA A 1 6 ? 5.601 12.195 6.431 1.00 0.00 ? 6 ALA A N 13 ATOM 6850 C CA . ALA A 1 6 ? 4.508 13.023 5.952 1.00 0.00 ? 6 ALA A CA 13 ATOM 6851 C C . ALA A 1 6 ? 3.412 13.099 6.992 1.00 0.00 ? 6 ALA A C 13 ATOM 6852 O O . ALA A 1 6 ? 3.175 12.158 7.750 1.00 0.00 ? 6 ALA A O 13 ATOM 6853 C CB . ALA A 1 6 ? 3.896 12.496 4.627 1.00 0.00 ? 6 ALA A CB 13 ATOM 6854 H H . ALA A 1 6 ? 5.453 11.225 6.280 1.00 0.00 ? 6 ALA A H 13 ATOM 6855 H HA . ALA A 1 6 ? 4.874 14.027 5.776 1.00 0.00 ? 6 ALA A HA 13 ATOM 6856 H HB1 . ALA A 1 6 ? 4.685 12.468 3.847 1.00 0.00 ? 6 ALA A HB1 13 ATOM 6857 H HB2 . ALA A 1 6 ? 3.480 11.467 4.721 1.00 0.00 ? 6 ALA A HB2 13 ATOM 6858 H HB3 . ALA A 1 6 ? 3.086 13.157 4.241 1.00 0.00 ? 6 ALA A HB3 13 ATOM 6859 N N . LYS A 1 7 ? 2.701 14.250 7.022 1.00 0.00 ? 7 LYS A N 13 ATOM 6860 C CA . LYS A 1 7 ? 1.758 14.642 8.048 1.00 0.00 ? 7 LYS A CA 13 ATOM 6861 C C . LYS A 1 7 ? 0.346 14.270 7.636 1.00 0.00 ? 7 LYS A C 13 ATOM 6862 O O . LYS A 1 7 ? -0.408 15.105 7.126 1.00 0.00 ? 7 LYS A O 13 ATOM 6863 C CB . LYS A 1 7 ? 1.866 16.165 8.281 1.00 0.00 ? 7 LYS A CB 13 ATOM 6864 C CG . LYS A 1 7 ? 1.106 16.702 9.504 1.00 0.00 ? 7 LYS A CG 13 ATOM 6865 C CD . LYS A 1 7 ? 1.018 18.233 9.519 1.00 0.00 ? 7 LYS A CD 13 ATOM 6866 C CE . LYS A 1 7 ? -0.273 18.810 8.902 1.00 0.00 ? 7 LYS A CE 13 ATOM 6867 N NZ . LYS A 1 7 ? -0.476 18.403 7.479 1.00 0.00 ? 7 LYS A NZ 13 ATOM 6868 H H . LYS A 1 7 ? 2.890 14.980 6.369 1.00 0.00 ? 7 LYS A H 13 ATOM 6869 H HA . LYS A 1 7 ? 2.002 14.158 8.980 1.00 0.00 ? 7 LYS A HA 13 ATOM 6870 H HB2 . LYS A 1 7 ? 2.939 16.398 8.467 1.00 0.00 ? 7 LYS A HB2 13 ATOM 6871 H HB3 . LYS A 1 7 ? 1.585 16.711 7.354 1.00 0.00 ? 7 LYS A HB3 13 ATOM 6872 H HG2 . LYS A 1 7 ? 0.079 16.282 9.591 1.00 0.00 ? 7 LYS A HG2 13 ATOM 6873 H HG3 . LYS A 1 7 ? 1.674 16.363 10.400 1.00 0.00 ? 7 LYS A HG3 13 ATOM 6874 H HD2 . LYS A 1 7 ? 1.052 18.550 10.587 1.00 0.00 ? 7 LYS A HD2 13 ATOM 6875 H HD3 . LYS A 1 7 ? 1.928 18.652 9.033 1.00 0.00 ? 7 LYS A HD3 13 ATOM 6876 H HE2 . LYS A 1 7 ? -1.158 18.455 9.477 1.00 0.00 ? 7 LYS A HE2 13 ATOM 6877 H HE3 . LYS A 1 7 ? -0.238 19.920 8.944 1.00 0.00 ? 7 LYS A HE3 13 ATOM 6878 H HZ1 . LYS A 1 7 ? 0.338 18.699 6.899 1.00 0.00 ? 7 LYS A HZ1 13 ATOM 6879 H HZ2 . LYS A 1 7 ? -0.581 17.361 7.422 1.00 0.00 ? 7 LYS A HZ2 13 ATOM 6880 H HZ3 . LYS A 1 7 ? -1.336 18.858 7.105 1.00 0.00 ? 7 LYS A HZ3 13 ATOM 6881 N N . GLN A 1 8 ? -0.005 12.974 7.842 1.00 0.00 ? 8 GLN A N 13 ATOM 6882 C CA . GLN A 1 8 ? -1.231 12.364 7.376 1.00 0.00 ? 8 GLN A CA 13 ATOM 6883 C C . GLN A 1 8 ? -1.826 11.467 8.436 1.00 0.00 ? 8 GLN A C 13 ATOM 6884 O O . GLN A 1 8 ? -3.012 11.170 8.365 1.00 0.00 ? 8 GLN A O 13 ATOM 6885 C CB . GLN A 1 8 ? -1.019 11.536 6.068 1.00 0.00 ? 8 GLN A CB 13 ATOM 6886 C CG . GLN A 1 8 ? -2.317 11.182 5.274 1.00 0.00 ? 8 GLN A CG 13 ATOM 6887 C CD . GLN A 1 8 ? -2.029 10.168 4.155 1.00 0.00 ? 8 GLN A CD 13 ATOM 6888 O OE1 . GLN A 1 8 ? -0.951 9.583 4.131 1.00 0.00 ? 8 GLN A OE1 13 ATOM 6889 N NE2 . GLN A 1 8 ? -2.992 9.921 3.230 1.00 0.00 ? 8 GLN A NE2 13 ATOM 6890 H H . GLN A 1 8 ? 0.661 12.356 8.251 1.00 0.00 ? 8 GLN A H 13 ATOM 6891 H HA . GLN A 1 8 ? -1.966 13.130 7.167 1.00 0.00 ? 8 GLN A HA 13 ATOM 6892 H HB2 . GLN A 1 8 ? -0.379 12.139 5.398 1.00 0.00 ? 8 GLN A HB2 13 ATOM 6893 H HB3 . GLN A 1 8 ? -0.432 10.618 6.290 1.00 0.00 ? 8 GLN A HB3 13 ATOM 6894 H HG2 . GLN A 1 8 ? -3.074 10.708 5.932 1.00 0.00 ? 8 GLN A HG2 13 ATOM 6895 H HG3 . GLN A 1 8 ? -2.768 12.112 4.868 1.00 0.00 ? 8 GLN A HG3 13 ATOM 6896 H HE21 . GLN A 1 8 ? -3.868 10.399 3.269 1.00 0.00 ? 8 GLN A HE21 13 ATOM 6897 H HE22 . GLN A 1 8 ? -2.792 9.255 2.510 1.00 0.00 ? 8 GLN A HE22 13 ATOM 6898 N N . ALA A 1 9 ? -1.050 10.975 9.451 1.00 0.00 ? 9 ALA A N 13 ATOM 6899 C CA . ALA A 1 9 ? -1.560 9.967 10.371 1.00 0.00 ? 9 ALA A CA 13 ATOM 6900 C C . ALA A 1 9 ? -2.054 10.604 11.646 1.00 0.00 ? 9 ALA A C 13 ATOM 6901 O O . ALA A 1 9 ? -3.237 10.551 11.956 1.00 0.00 ? 9 ALA A O 13 ATOM 6902 C CB . ALA A 1 9 ? -0.525 8.860 10.715 1.00 0.00 ? 9 ALA A CB 13 ATOM 6903 H H . ALA A 1 9 ? -0.103 11.237 9.618 1.00 0.00 ? 9 ALA A H 13 ATOM 6904 H HA . ALA A 1 9 ? -2.418 9.451 9.945 1.00 0.00 ? 9 ALA A HA 13 ATOM 6905 H HB1 . ALA A 1 9 ? -0.160 8.412 9.766 1.00 0.00 ? 9 ALA A HB1 13 ATOM 6906 H HB2 . ALA A 1 9 ? 0.356 9.239 11.277 1.00 0.00 ? 9 ALA A HB2 13 ATOM 6907 H HB3 . ALA A 1 9 ? -0.995 8.041 11.307 1.00 0.00 ? 9 ALA A HB3 13 ATOM 6908 N N . SER A 1 10 ? -1.168 11.176 12.481 1.00 0.00 ? 10 SER A N 13 ATOM 6909 C CA . SER A 1 10 ? -1.586 11.711 13.757 1.00 0.00 ? 10 SER A CA 13 ATOM 6910 C C . SER A 1 10 ? -0.461 12.612 14.176 1.00 0.00 ? 10 SER A C 13 ATOM 6911 O O . SER A 1 10 ? 0.098 13.341 13.356 1.00 0.00 ? 10 SER A O 13 ATOM 6912 C CB . SER A 1 10 ? -1.898 10.620 14.846 1.00 0.00 ? 10 SER A CB 13 ATOM 6913 O OG . SER A 1 10 ? -2.962 9.762 14.449 1.00 0.00 ? 10 SER A OG 13 ATOM 6914 H H . SER A 1 10 ? -0.196 11.244 12.285 1.00 0.00 ? 10 SER A H 13 ATOM 6915 H HA . SER A 1 10 ? -2.445 12.352 13.606 1.00 0.00 ? 10 SER A HA 13 ATOM 6916 H HB2 . SER A 1 10 ? -1.016 9.971 15.046 1.00 0.00 ? 10 SER A HB2 13 ATOM 6917 H HB3 . SER A 1 10 ? -2.225 11.084 15.801 1.00 0.00 ? 10 SER A HB3 13 ATOM 6918 H HG . SER A 1 10 ? -3.216 10.023 13.533 1.00 0.00 ? 10 SER A HG 13 ATOM 6919 N N . GLN A 1 11 ? -0.061 12.548 15.483 1.00 0.00 ? 11 GLN A N 13 ATOM 6920 C CA . GLN A 1 11 ? 0.908 13.458 16.079 1.00 0.00 ? 11 GLN A CA 13 ATOM 6921 C C . GLN A 1 11 ? 2.325 12.941 15.917 1.00 0.00 ? 11 GLN A C 13 ATOM 6922 O O . GLN A 1 11 ? 3.295 13.689 15.998 1.00 0.00 ? 11 GLN A O 13 ATOM 6923 C CB . GLN A 1 11 ? 0.567 13.865 17.532 1.00 0.00 ? 11 GLN A CB 13 ATOM 6924 C CG . GLN A 1 11 ? 0.548 12.726 18.559 1.00 0.00 ? 11 GLN A CG 13 ATOM 6925 C CD . GLN A 1 11 ? 0.199 13.333 19.916 1.00 0.00 ? 11 GLN A CD 13 ATOM 6926 O OE1 . GLN A 1 11 ? -0.263 14.464 20.057 1.00 0.00 ? 11 GLN A OE1 13 ATOM 6927 N NE2 . GLN A 1 11 ? 0.417 12.541 20.991 1.00 0.00 ? 11 GLN A NE2 13 ATOM 6928 H H . GLN A 1 11 ? -0.503 11.931 16.131 1.00 0.00 ? 11 GLN A H 13 ATOM 6929 H HA . GLN A 1 11 ? 0.857 14.392 15.553 1.00 0.00 ? 11 GLN A HA 13 ATOM 6930 H HB2 . GLN A 1 11 ? 1.284 14.650 17.865 1.00 0.00 ? 11 GLN A HB2 13 ATOM 6931 H HB3 . GLN A 1 11 ? -0.438 14.344 17.512 1.00 0.00 ? 11 GLN A HB3 13 ATOM 6932 H HG2 . GLN A 1 11 ? -0.208 11.959 18.292 1.00 0.00 ? 11 GLN A HG2 13 ATOM 6933 H HG3 . GLN A 1 11 ? 1.547 12.241 18.623 1.00 0.00 ? 11 GLN A HG3 13 ATOM 6934 H HE21 . GLN A 1 11 ? 0.741 11.604 20.857 1.00 0.00 ? 11 GLN A HE21 13 ATOM 6935 H HE22 . GLN A 1 11 ? 0.157 12.871 21.900 1.00 0.00 ? 11 GLN A HE22 13 ATOM 6936 N N . ASP A 1 12 ? 2.420 11.643 15.526 1.00 0.00 ? 12 ASP A N 13 ATOM 6937 C CA . ASP A 1 12 ? 3.586 10.841 15.130 1.00 0.00 ? 12 ASP A CA 13 ATOM 6938 C C . ASP A 1 12 ? 3.947 11.098 13.682 1.00 0.00 ? 12 ASP A C 13 ATOM 6939 O O . ASP A 1 12 ? 4.941 10.610 13.150 1.00 0.00 ? 12 ASP A O 13 ATOM 6940 C CB . ASP A 1 12 ? 3.239 9.308 15.273 1.00 0.00 ? 12 ASP A CB 13 ATOM 6941 C CG . ASP A 1 12 ? 4.044 8.660 16.396 1.00 0.00 ? 12 ASP A CG 13 ATOM 6942 O OD1 . ASP A 1 12 ? 4.313 9.355 17.408 1.00 0.00 ? 12 ASP A OD1 13 ATOM 6943 O OD2 . ASP A 1 12 ? 4.397 7.460 16.249 1.00 0.00 ? 12 ASP A OD2 13 ATOM 6944 H H . ASP A 1 12 ? 1.579 11.116 15.531 1.00 0.00 ? 12 ASP A H 13 ATOM 6945 H HA . ASP A 1 12 ? 4.452 11.146 15.709 1.00 0.00 ? 12 ASP A HA 13 ATOM 6946 H HB2 . ASP A 1 12 ? 2.166 9.198 15.544 1.00 0.00 ? 12 ASP A HB2 13 ATOM 6947 H HB3 . ASP A 1 12 ? 3.380 8.690 14.352 1.00 0.00 ? 12 ASP A HB3 13 ATOM 6948 N N . ALA A 1 13 ? 3.094 11.912 13.025 1.00 0.00 ? 13 ALA A N 13 ATOM 6949 C CA . ALA A 1 13 ? 3.223 12.386 11.675 1.00 0.00 ? 13 ALA A CA 13 ATOM 6950 C C . ALA A 1 13 ? 3.471 13.874 11.731 1.00 0.00 ? 13 ALA A C 13 ATOM 6951 O O . ALA A 1 13 ? 3.891 14.476 10.748 1.00 0.00 ? 13 ALA A O 13 ATOM 6952 C CB . ALA A 1 13 ? 1.923 12.101 10.895 1.00 0.00 ? 13 ALA A CB 13 ATOM 6953 H H . ALA A 1 13 ? 2.270 12.227 13.498 1.00 0.00 ? 13 ALA A H 13 ATOM 6954 H HA . ALA A 1 13 ? 4.064 11.919 11.173 1.00 0.00 ? 13 ALA A HA 13 ATOM 6955 H HB1 . ALA A 1 13 ? 1.670 11.030 11.015 1.00 0.00 ? 13 ALA A HB1 13 ATOM 6956 H HB2 . ALA A 1 13 ? 1.061 12.711 11.245 1.00 0.00 ? 13 ALA A HB2 13 ATOM 6957 H HB3 . ALA A 1 13 ? 2.068 12.291 9.819 1.00 0.00 ? 13 ALA A HB3 13 ATOM 6958 N N . GLU A 1 14 ? 3.221 14.490 12.923 1.00 0.00 ? 14 GLU A N 13 ATOM 6959 C CA . GLU A 1 14 ? 3.419 15.887 13.283 1.00 0.00 ? 14 GLU A CA 13 ATOM 6960 C C . GLU A 1 14 ? 4.821 16.022 13.850 1.00 0.00 ? 14 GLU A C 13 ATOM 6961 O O . GLU A 1 14 ? 5.569 16.907 13.464 1.00 0.00 ? 14 GLU A O 13 ATOM 6962 C CB . GLU A 1 14 ? 2.318 16.383 14.280 1.00 0.00 ? 14 GLU A CB 13 ATOM 6963 C CG . GLU A 1 14 ? 1.468 17.612 13.889 1.00 0.00 ? 14 GLU A CG 13 ATOM 6964 C CD . GLU A 1 14 ? 2.231 18.927 13.862 1.00 0.00 ? 14 GLU A CD 13 ATOM 6965 O OE1 . GLU A 1 14 ? 2.354 19.595 14.936 1.00 0.00 ? 14 GLU A OE1 13 ATOM 6966 O OE2 . GLU A 1 14 ? 2.636 19.299 12.725 1.00 0.00 ? 14 GLU A OE2 13 ATOM 6967 H H . GLU A 1 14 ? 2.928 13.916 13.682 1.00 0.00 ? 14 GLU A H 13 ATOM 6968 H HA . GLU A 1 14 ? 3.364 16.493 12.388 1.00 0.00 ? 14 GLU A HA 13 ATOM 6969 H HB2 . GLU A 1 14 ? 1.533 15.606 14.214 1.00 0.00 ? 14 GLU A HB2 13 ATOM 6970 H HB3 . GLU A 1 14 ? 2.650 16.447 15.340 1.00 0.00 ? 14 GLU A HB3 13 ATOM 6971 H HG2 . GLU A 1 14 ? 1.018 17.420 12.891 1.00 0.00 ? 14 GLU A HG2 13 ATOM 6972 H HG3 . GLU A 1 14 ? 0.623 17.741 14.600 1.00 0.00 ? 14 GLU A HG3 13 ATOM 6973 N N . GLN A 1 15 ? 5.267 15.080 14.735 1.00 0.00 ? 15 GLN A N 13 ATOM 6974 C CA . GLN A 1 15 ? 6.557 15.001 15.432 1.00 0.00 ? 15 GLN A CA 13 ATOM 6975 C C . GLN A 1 15 ? 7.790 14.855 14.551 1.00 0.00 ? 15 GLN A C 13 ATOM 6976 O O . GLN A 1 15 ? 8.916 15.053 14.987 1.00 0.00 ? 15 GLN A O 13 ATOM 6977 C CB . GLN A 1 15 ? 6.526 13.904 16.543 1.00 0.00 ? 15 GLN A CB 13 ATOM 6978 C CG . GLN A 1 15 ? 7.655 13.987 17.603 1.00 0.00 ? 15 GLN A CG 13 ATOM 6979 C CD . GLN A 1 15 ? 7.083 13.698 18.982 1.00 0.00 ? 15 GLN A CD 13 ATOM 6980 O OE1 . GLN A 1 15 ? 7.115 12.581 19.492 1.00 0.00 ? 15 GLN A OE1 13 ATOM 6981 N NE2 . GLN A 1 15 ? 6.568 14.787 19.606 1.00 0.00 ? 15 GLN A NE2 13 ATOM 6982 H H . GLN A 1 15 ? 4.607 14.395 15.069 1.00 0.00 ? 15 GLN A H 13 ATOM 6983 H HA . GLN A 1 15 ? 6.681 15.939 15.950 1.00 0.00 ? 15 GLN A HA 13 ATOM 6984 H HB2 . GLN A 1 15 ? 5.553 14.060 17.062 1.00 0.00 ? 15 GLN A HB2 13 ATOM 6985 H HB3 . GLN A 1 15 ? 6.491 12.872 16.119 1.00 0.00 ? 15 GLN A HB3 13 ATOM 6986 H HG2 . GLN A 1 15 ? 8.473 13.268 17.374 1.00 0.00 ? 15 GLN A HG2 13 ATOM 6987 H HG3 . GLN A 1 15 ? 8.119 15.002 17.615 1.00 0.00 ? 15 GLN A HG3 13 ATOM 6988 H HE21 . GLN A 1 15 ? 6.638 15.683 19.165 1.00 0.00 ? 15 GLN A HE21 13 ATOM 6989 H HE22 . GLN A 1 15 ? 6.204 14.699 20.531 1.00 0.00 ? 15 GLN A HE22 13 ATOM 6990 N N . ALA A 1 16 ? 7.611 14.591 13.237 1.00 0.00 ? 16 ALA A N 13 ATOM 6991 C CA . ALA A 1 16 ? 8.690 14.732 12.263 1.00 0.00 ? 16 ALA A CA 13 ATOM 6992 C C . ALA A 1 16 ? 8.860 16.140 11.705 1.00 0.00 ? 16 ALA A C 13 ATOM 6993 O O . ALA A 1 16 ? 9.902 16.464 11.139 1.00 0.00 ? 16 ALA A O 13 ATOM 6994 C CB . ALA A 1 16 ? 8.502 13.766 11.071 1.00 0.00 ? 16 ALA A CB 13 ATOM 6995 H H . ALA A 1 16 ? 6.697 14.330 12.922 1.00 0.00 ? 16 ALA A H 13 ATOM 6996 H HA . ALA A 1 16 ? 9.635 14.521 12.751 1.00 0.00 ? 16 ALA A HA 13 ATOM 6997 H HB1 . ALA A 1 16 ? 8.442 12.725 11.442 1.00 0.00 ? 16 ALA A HB1 13 ATOM 6998 H HB2 . ALA A 1 16 ? 7.565 13.976 10.509 1.00 0.00 ? 16 ALA A HB2 13 ATOM 6999 H HB3 . ALA A 1 16 ? 9.365 13.821 10.371 1.00 0.00 ? 16 ALA A HB3 13 ATOM 7000 N N . ALA A 1 17 ? 7.818 17.012 11.815 1.00 0.00 ? 17 ALA A N 13 ATOM 7001 C CA . ALA A 1 17 ? 7.892 18.457 11.619 1.00 0.00 ? 17 ALA A CA 13 ATOM 7002 C C . ALA A 1 17 ? 8.163 19.193 12.923 1.00 0.00 ? 17 ALA A C 13 ATOM 7003 O O . ALA A 1 17 ? 8.863 20.202 12.964 1.00 0.00 ? 17 ALA A O 13 ATOM 7004 C CB . ALA A 1 17 ? 6.610 19.031 10.947 1.00 0.00 ? 17 ALA A CB 13 ATOM 7005 H H . ALA A 1 17 ? 6.938 16.720 12.211 1.00 0.00 ? 17 ALA A H 13 ATOM 7006 H HA . ALA A 1 17 ? 8.718 18.681 10.958 1.00 0.00 ? 17 ALA A HA 13 ATOM 7007 H HB1 . ALA A 1 17 ? 6.434 18.471 10.001 1.00 0.00 ? 17 ALA A HB1 13 ATOM 7008 H HB2 . ALA A 1 17 ? 5.702 18.933 11.583 1.00 0.00 ? 17 ALA A HB2 13 ATOM 7009 H HB3 . ALA A 1 17 ? 6.741 20.106 10.680 1.00 0.00 ? 17 ALA A HB3 13 ATOM 7010 N N . LYS A 1 18 ? 7.514 18.686 14.023 1.00 0.00 ? 18 LYS A N 13 ATOM 7011 C CA . LYS A 1 18 ? 7.216 19.351 15.284 1.00 0.00 ? 18 LYS A CA 13 ATOM 7012 C C . LYS A 1 18 ? 8.347 19.229 16.275 1.00 0.00 ? 18 LYS A C 13 ATOM 7013 O O . LYS A 1 18 ? 8.404 19.955 17.261 1.00 0.00 ? 18 LYS A O 13 ATOM 7014 C CB . LYS A 1 18 ? 5.909 18.816 15.959 1.00 0.00 ? 18 LYS A CB 13 ATOM 7015 C CG . LYS A 1 18 ? 5.257 19.706 17.022 1.00 0.00 ? 18 LYS A CG 13 ATOM 7016 C CD . LYS A 1 18 ? 4.128 18.966 17.744 1.00 0.00 ? 18 LYS A CD 13 ATOM 7017 C CE . LYS A 1 18 ? 3.183 19.868 18.563 1.00 0.00 ? 18 LYS A CE 13 ATOM 7018 N NZ . LYS A 1 18 ? 1.923 20.135 17.802 1.00 0.00 ? 18 LYS A NZ 13 ATOM 7019 H H . LYS A 1 18 ? 7.000 17.831 13.921 1.00 0.00 ? 18 LYS A H 13 ATOM 7020 H HA . LYS A 1 18 ? 7.058 20.401 15.069 1.00 0.00 ? 18 LYS A HA 13 ATOM 7021 H HB2 . LYS A 1 18 ? 5.121 18.702 15.185 1.00 0.00 ? 18 LYS A HB2 13 ATOM 7022 H HB3 . LYS A 1 18 ? 6.063 17.819 16.424 1.00 0.00 ? 18 LYS A HB3 13 ATOM 7023 H HG2 . LYS A 1 18 ? 6.001 20.017 17.790 1.00 0.00 ? 18 LYS A HG2 13 ATOM 7024 H HG3 . LYS A 1 18 ? 4.877 20.619 16.514 1.00 0.00 ? 18 LYS A HG3 13 ATOM 7025 H HD2 . LYS A 1 18 ? 3.565 18.370 16.990 1.00 0.00 ? 18 LYS A HD2 13 ATOM 7026 H HD3 . LYS A 1 18 ? 4.629 18.248 18.428 1.00 0.00 ? 18 LYS A HD3 13 ATOM 7027 H HE2 . LYS A 1 18 ? 2.908 19.353 19.511 1.00 0.00 ? 18 LYS A HE2 13 ATOM 7028 H HE3 . LYS A 1 18 ? 3.673 20.830 18.826 1.00 0.00 ? 18 LYS A HE3 13 ATOM 7029 H HZ1 . LYS A 1 18 ? 1.515 19.233 17.482 1.00 0.00 ? 18 LYS A HZ1 13 ATOM 7030 H HZ2 . LYS A 1 18 ? 1.236 20.652 18.390 1.00 0.00 ? 18 LYS A HZ2 13 ATOM 7031 H HZ3 . LYS A 1 18 ? 2.126 20.677 16.932 1.00 0.00 ? 18 LYS A HZ3 13 ATOM 7032 N N . ASP A 1 19 ? 9.383 18.393 15.975 1.00 0.00 ? 19 ASP A N 13 ATOM 7033 C CA . ASP A 1 19 ? 10.594 18.239 16.790 1.00 0.00 ? 19 ASP A CA 13 ATOM 7034 C C . ASP A 1 19 ? 11.626 19.301 16.468 1.00 0.00 ? 19 ASP A C 13 ATOM 7035 O O . ASP A 1 19 ? 12.784 19.234 16.879 1.00 0.00 ? 19 ASP A O 13 ATOM 7036 C CB . ASP A 1 19 ? 11.224 16.801 16.699 1.00 0.00 ? 19 ASP A CB 13 ATOM 7037 C CG . ASP A 1 19 ? 11.297 16.174 18.089 1.00 0.00 ? 19 ASP A CG 13 ATOM 7038 O OD1 . ASP A 1 19 ? 10.221 16.132 18.750 1.00 0.00 ? 19 ASP A OD1 13 ATOM 7039 O OD2 . ASP A 1 19 ? 12.393 15.729 18.518 1.00 0.00 ? 19 ASP A OD2 13 ATOM 7040 H H . ASP A 1 19 ? 9.299 17.778 15.192 1.00 0.00 ? 19 ASP A H 13 ATOM 7041 H HA . ASP A 1 19 ? 10.314 18.440 17.816 1.00 0.00 ? 19 ASP A HA 13 ATOM 7042 H HB2 . ASP A 1 19 ? 10.563 16.146 16.106 1.00 0.00 ? 19 ASP A HB2 13 ATOM 7043 H HB3 . ASP A 1 19 ? 12.234 16.739 16.231 1.00 0.00 ? 19 ASP A HB3 13 ATOM 7044 N N . ALA A 1 20 ? 11.176 20.350 15.746 1.00 0.00 ? 20 ALA A N 13 ATOM 7045 C CA . ALA A 1 20 ? 11.806 21.619 15.476 1.00 0.00 ? 20 ALA A CA 13 ATOM 7046 C C . ALA A 1 20 ? 11.444 22.660 16.524 1.00 0.00 ? 20 ALA A C 13 ATOM 7047 O O . ALA A 1 20 ? 12.309 23.399 16.993 1.00 0.00 ? 20 ALA A O 13 ATOM 7048 C CB . ALA A 1 20 ? 11.382 22.126 14.077 1.00 0.00 ? 20 ALA A CB 13 ATOM 7049 H H . ALA A 1 20 ? 10.236 20.277 15.417 1.00 0.00 ? 20 ALA A H 13 ATOM 7050 H HA . ALA A 1 20 ? 12.881 21.481 15.497 1.00 0.00 ? 20 ALA A HA 13 ATOM 7051 H HB1 . ALA A 1 20 ? 11.632 21.330 13.342 1.00 0.00 ? 20 ALA A HB1 13 ATOM 7052 H HB2 . ALA A 1 20 ? 10.286 22.311 13.990 1.00 0.00 ? 20 ALA A HB2 13 ATOM 7053 H HB3 . ALA A 1 20 ? 11.926 23.048 13.772 1.00 0.00 ? 20 ALA A HB3 13 ATOM 7054 N N . GLU A 1 21 ? 10.113 22.731 16.886 1.00 0.00 ? 21 GLU A N 13 ATOM 7055 C CA . GLU A 1 21 ? 9.519 23.737 17.774 1.00 0.00 ? 21 GLU A CA 13 ATOM 7056 C C . GLU A 1 21 ? 9.532 23.285 19.213 1.00 0.00 ? 21 GLU A C 13 ATOM 7057 O O . GLU A 1 21 ? 9.400 24.099 20.126 1.00 0.00 ? 21 GLU A O 13 ATOM 7058 C CB . GLU A 1 21 ? 8.082 24.228 17.384 1.00 0.00 ? 21 GLU A CB 13 ATOM 7059 C CG . GLU A 1 21 ? 6.898 23.227 17.358 1.00 0.00 ? 21 GLU A CG 13 ATOM 7060 C CD . GLU A 1 21 ? 5.728 23.576 18.315 1.00 0.00 ? 21 GLU A CD 13 ATOM 7061 O OE1 . GLU A 1 21 ? 5.184 24.712 18.296 1.00 0.00 ? 21 GLU A OE1 13 ATOM 7062 O OE2 . GLU A 1 21 ? 5.329 22.633 19.047 1.00 0.00 ? 21 GLU A OE2 13 ATOM 7063 H H . GLU A 1 21 ? 9.471 22.049 16.538 1.00 0.00 ? 21 GLU A H 13 ATOM 7064 H HA . GLU A 1 21 ? 10.138 24.622 17.738 1.00 0.00 ? 21 GLU A HA 13 ATOM 7065 H HB2 . GLU A 1 21 ? 7.781 25.075 18.039 1.00 0.00 ? 21 GLU A HB2 13 ATOM 7066 H HB3 . GLU A 1 21 ? 8.170 24.647 16.358 1.00 0.00 ? 21 GLU A HB3 13 ATOM 7067 H HG2 . GLU A 1 21 ? 6.464 23.275 16.337 1.00 0.00 ? 21 GLU A HG2 13 ATOM 7068 H HG3 . GLU A 1 21 ? 7.215 22.183 17.561 1.00 0.00 ? 21 GLU A HG3 13 ATOM 7069 N N . ASN A 1 22 ? 9.813 21.961 19.437 1.00 0.00 ? 22 ASN A N 13 ATOM 7070 C CA . ASN A 1 22 ? 9.901 21.256 20.725 1.00 0.00 ? 22 ASN A CA 13 ATOM 7071 C C . ASN A 1 22 ? 11.016 21.806 21.610 1.00 0.00 ? 22 ASN A C 13 ATOM 7072 O O . ASN A 1 22 ? 10.908 21.824 22.831 1.00 0.00 ? 22 ASN A O 13 ATOM 7073 C CB . ASN A 1 22 ? 10.069 19.699 20.520 1.00 0.00 ? 22 ASN A CB 13 ATOM 7074 C CG . ASN A 1 22 ? 8.706 18.961 20.520 1.00 0.00 ? 22 ASN A CG 13 ATOM 7075 O OD1 . ASN A 1 22 ? 7.664 19.563 20.772 1.00 0.00 ? 22 ASN A OD1 13 ATOM 7076 N ND2 . ASN A 1 22 ? 8.693 17.621 20.269 1.00 0.00 ? 22 ASN A ND2 13 ATOM 7077 H H . ASN A 1 22 ? 9.923 21.363 18.646 1.00 0.00 ? 22 ASN A H 13 ATOM 7078 H HA . ASN A 1 22 ? 8.988 21.455 21.272 1.00 0.00 ? 22 ASN A HA 13 ATOM 7079 H HB2 . ASN A 1 22 ? 10.626 19.526 19.571 1.00 0.00 ? 22 ASN A HB2 13 ATOM 7080 H HB3 . ASN A 1 22 ? 10.665 19.213 21.323 1.00 0.00 ? 22 ASN A HB3 13 ATOM 7081 H HD21 . ASN A 1 22 ? 9.464 17.146 19.776 1.00 0.00 ? 22 ASN A HD21 13 ATOM 7082 H HD22 . ASN A 1 22 ? 7.908 17.058 20.507 1.00 0.00 ? 22 ASN A HD22 13 ATOM 7083 N N . ALA A 1 23 ? 12.045 22.408 20.950 1.00 0.00 ? 23 ALA A N 13 ATOM 7084 C CA . ALA A 1 23 ? 13.187 23.124 21.511 1.00 0.00 ? 23 ALA A CA 13 ATOM 7085 C C . ALA A 1 23 ? 12.837 24.459 22.169 1.00 0.00 ? 23 ALA A C 13 ATOM 7086 O O . ALA A 1 23 ? 13.459 24.869 23.146 1.00 0.00 ? 23 ALA A O 13 ATOM 7087 C CB . ALA A 1 23 ? 14.261 23.389 20.429 1.00 0.00 ? 23 ALA A CB 13 ATOM 7088 H H . ALA A 1 23 ? 11.991 22.344 19.953 1.00 0.00 ? 23 ALA A H 13 ATOM 7089 H HA . ALA A 1 23 ? 13.626 22.487 22.269 1.00 0.00 ? 23 ALA A HA 13 ATOM 7090 H HB1 . ALA A 1 23 ? 14.555 22.423 19.968 1.00 0.00 ? 23 ALA A HB1 13 ATOM 7091 H HB2 . ALA A 1 23 ? 13.883 24.052 19.615 1.00 0.00 ? 23 ALA A HB2 13 ATOM 7092 H HB3 . ALA A 1 23 ? 15.185 23.847 20.856 1.00 0.00 ? 23 ALA A HB3 13 ATOM 7093 N N . SER A 1 24 ? 11.798 25.166 21.664 1.00 0.00 ? 24 SER A N 13 ATOM 7094 C CA . SER A 1 24 ? 11.202 26.356 22.261 1.00 0.00 ? 24 SER A CA 13 ATOM 7095 C C . SER A 1 24 ? 10.059 26.040 23.194 1.00 0.00 ? 24 SER A C 13 ATOM 7096 O O . SER A 1 24 ? 9.685 26.862 24.019 1.00 0.00 ? 24 SER A O 13 ATOM 7097 C CB . SER A 1 24 ? 10.816 27.457 21.223 1.00 0.00 ? 24 SER A CB 13 ATOM 7098 O OG . SER A 1 24 ? 10.535 26.893 19.943 1.00 0.00 ? 24 SER A OG 13 ATOM 7099 H H . SER A 1 24 ? 11.338 24.862 20.833 1.00 0.00 ? 24 SER A H 13 ATOM 7100 H HA . SER A 1 24 ? 11.910 26.782 22.938 1.00 0.00 ? 24 SER A HA 13 ATOM 7101 H HB2 . SER A 1 24 ? 9.981 28.124 21.551 1.00 0.00 ? 24 SER A HB2 13 ATOM 7102 H HB3 . SER A 1 24 ? 11.697 28.121 21.099 1.00 0.00 ? 24 SER A HB3 13 ATOM 7103 H HG . SER A 1 24 ? 9.756 26.328 20.048 1.00 0.00 ? 24 SER A HG 13 ATOM 7104 N N . LYS A 1 25 ? 9.497 24.814 23.117 1.00 0.00 ? 25 LYS A N 13 ATOM 7105 C CA . LYS A 1 25 ? 8.418 24.353 23.983 1.00 0.00 ? 25 LYS A CA 13 ATOM 7106 C C . LYS A 1 25 ? 8.921 23.664 25.257 1.00 0.00 ? 25 LYS A C 13 ATOM 7107 O O . LYS A 1 25 ? 8.171 23.514 26.221 1.00 0.00 ? 25 LYS A O 13 ATOM 7108 C CB . LYS A 1 25 ? 7.456 23.405 23.231 1.00 0.00 ? 25 LYS A CB 13 ATOM 7109 C CG . LYS A 1 25 ? 6.678 23.978 22.023 1.00 0.00 ? 25 LYS A CG 13 ATOM 7110 C CD . LYS A 1 25 ? 5.846 25.247 22.249 1.00 0.00 ? 25 LYS A CD 13 ATOM 7111 C CE . LYS A 1 25 ? 4.646 25.074 23.192 1.00 0.00 ? 25 LYS A CE 13 ATOM 7112 N NZ . LYS A 1 25 ? 3.922 26.355 23.395 1.00 0.00 ? 25 LYS A NZ 13 ATOM 7113 H H . LYS A 1 25 ? 9.783 24.186 22.394 1.00 0.00 ? 25 LYS A H 13 ATOM 7114 H HA . LYS A 1 25 ? 7.826 25.201 24.310 1.00 0.00 ? 25 LYS A HA 13 ATOM 7115 H HB2 . LYS A 1 25 ? 8.075 22.579 22.832 1.00 0.00 ? 25 LYS A HB2 13 ATOM 7116 H HB3 . LYS A 1 25 ? 6.708 22.992 23.934 1.00 0.00 ? 25 LYS A HB3 13 ATOM 7117 H HG2 . LYS A 1 25 ? 7.376 24.236 21.207 1.00 0.00 ? 25 LYS A HG2 13 ATOM 7118 H HG3 . LYS A 1 25 ? 6.006 23.192 21.609 1.00 0.00 ? 25 LYS A HG3 13 ATOM 7119 H HD2 . LYS A 1 25 ? 6.502 26.076 22.598 1.00 0.00 ? 25 LYS A HD2 13 ATOM 7120 H HD3 . LYS A 1 25 ? 5.438 25.507 21.242 1.00 0.00 ? 25 LYS A HD3 13 ATOM 7121 H HE2 . LYS A 1 25 ? 3.933 24.340 22.763 1.00 0.00 ? 25 LYS A HE2 13 ATOM 7122 H HE3 . LYS A 1 25 ? 4.979 24.728 24.194 1.00 0.00 ? 25 LYS A HE3 13 ATOM 7123 H HZ1 . LYS A 1 25 ? 4.090 27.008 22.610 1.00 0.00 ? 25 LYS A HZ1 13 ATOM 7124 H HZ2 . LYS A 1 25 ? 2.901 26.228 23.533 1.00 0.00 ? 25 LYS A HZ2 13 ATOM 7125 H HZ3 . LYS A 1 25 ? 4.336 26.799 24.295 1.00 0.00 ? 25 LYS A HZ3 13 ATOM 7126 N N . GLU A 1 26 ? 10.235 23.285 25.314 1.00 0.00 ? 26 GLU A N 13 ATOM 7127 C CA . GLU A 1 26 ? 10.954 22.858 26.520 1.00 0.00 ? 26 GLU A CA 13 ATOM 7128 C C . GLU A 1 26 ? 11.485 24.062 27.256 1.00 0.00 ? 26 GLU A C 13 ATOM 7129 O O . GLU A 1 26 ? 11.615 24.075 28.477 1.00 0.00 ? 26 GLU A O 13 ATOM 7130 C CB . GLU A 1 26 ? 12.169 21.908 26.250 1.00 0.00 ? 26 GLU A CB 13 ATOM 7131 C CG . GLU A 1 26 ? 13.227 22.452 25.261 1.00 0.00 ? 26 GLU A CG 13 ATOM 7132 C CD . GLU A 1 26 ? 14.450 21.566 25.169 1.00 0.00 ? 26 GLU A CD 13 ATOM 7133 O OE1 . GLU A 1 26 ? 14.322 20.464 24.580 1.00 0.00 ? 26 GLU A OE1 13 ATOM 7134 O OE2 . GLU A 1 26 ? 15.534 21.984 25.656 1.00 0.00 ? 26 GLU A OE2 13 ATOM 7135 H H . GLU A 1 26 ? 10.755 23.232 24.462 1.00 0.00 ? 26 GLU A H 13 ATOM 7136 H HA . GLU A 1 26 ? 10.259 22.350 27.175 1.00 0.00 ? 26 GLU A HA 13 ATOM 7137 H HB2 . GLU A 1 26 ? 12.676 21.630 27.204 1.00 0.00 ? 26 GLU A HB2 13 ATOM 7138 H HB3 . GLU A 1 26 ? 11.781 20.954 25.829 1.00 0.00 ? 26 GLU A HB3 13 ATOM 7139 H HG2 . GLU A 1 26 ? 12.768 22.506 24.262 1.00 0.00 ? 26 GLU A HG2 13 ATOM 7140 H HG3 . GLU A 1 26 ? 13.596 23.460 25.532 1.00 0.00 ? 26 GLU A HG3 13 ATOM 7141 N N . ALA A 1 27 ? 11.758 25.154 26.490 1.00 0.00 ? 27 ALA A N 13 ATOM 7142 C CA . ALA A 1 27 ? 12.264 26.442 26.935 1.00 0.00 ? 27 ALA A CA 13 ATOM 7143 C C . ALA A 1 27 ? 11.148 27.319 27.468 1.00 0.00 ? 27 ALA A C 13 ATOM 7144 O O . ALA A 1 27 ? 11.366 28.447 27.889 1.00 0.00 ? 27 ALA A O 13 ATOM 7145 C CB . ALA A 1 27 ? 12.958 27.192 25.776 1.00 0.00 ? 27 ALA A CB 13 ATOM 7146 H H . ALA A 1 27 ? 11.646 25.073 25.503 1.00 0.00 ? 27 ALA A H 13 ATOM 7147 H HA . ALA A 1 27 ? 12.986 26.280 27.723 1.00 0.00 ? 27 ALA A HA 13 ATOM 7148 H HB1 . ALA A 1 27 ? 13.740 26.545 25.322 1.00 0.00 ? 27 ALA A HB1 13 ATOM 7149 H HB2 . ALA A 1 27 ? 12.246 27.469 24.967 1.00 0.00 ? 27 ALA A HB2 13 ATOM 7150 H HB3 . ALA A 1 27 ? 13.459 28.120 26.130 1.00 0.00 ? 27 ALA A HB3 13 ATOM 7151 N N . GLU A 1 28 ? 9.921 26.745 27.484 1.00 0.00 ? 28 GLU A N 13 ATOM 7152 C CA . GLU A 1 28 ? 8.665 27.288 27.979 1.00 0.00 ? 28 GLU A CA 13 ATOM 7153 C C . GLU A 1 28 ? 8.598 27.227 29.496 1.00 0.00 ? 28 GLU A C 13 ATOM 7154 O O . GLU A 1 28 ? 8.422 28.236 30.170 1.00 0.00 ? 28 GLU A O 13 ATOM 7155 C CB . GLU A 1 28 ? 7.481 26.461 27.405 1.00 0.00 ? 28 GLU A CB 13 ATOM 7156 C CG . GLU A 1 28 ? 6.081 27.089 27.546 1.00 0.00 ? 28 GLU A CG 13 ATOM 7157 C CD . GLU A 1 28 ? 5.772 27.824 26.256 1.00 0.00 ? 28 GLU A CD 13 ATOM 7158 O OE1 . GLU A 1 28 ? 6.420 28.855 25.954 1.00 0.00 ? 28 GLU A OE1 13 ATOM 7159 O OE2 . GLU A 1 28 ? 4.928 27.296 25.493 1.00 0.00 ? 28 GLU A OE2 13 ATOM 7160 H H . GLU A 1 28 ? 9.870 25.845 27.056 1.00 0.00 ? 28 GLU A H 13 ATOM 7161 H HA . GLU A 1 28 ? 8.583 28.319 27.652 1.00 0.00 ? 28 GLU A HA 13 ATOM 7162 H HB2 . GLU A 1 28 ? 7.683 26.339 26.321 1.00 0.00 ? 28 GLU A HB2 13 ATOM 7163 H HB3 . GLU A 1 28 ? 7.453 25.429 27.823 1.00 0.00 ? 28 GLU A HB3 13 ATOM 7164 H HG2 . GLU A 1 28 ? 5.330 26.288 27.719 1.00 0.00 ? 28 GLU A HG2 13 ATOM 7165 H HG3 . GLU A 1 28 ? 6.007 27.796 28.397 1.00 0.00 ? 28 GLU A HG3 13 ATOM 7166 N N . GLU A 1 29 ? 8.797 25.994 30.043 1.00 0.00 ? 29 GLU A N 13 ATOM 7167 C CA . GLU A 1 29 ? 8.832 25.697 31.465 1.00 0.00 ? 29 GLU A CA 13 ATOM 7168 C C . GLU A 1 29 ? 10.231 25.819 32.013 1.00 0.00 ? 29 GLU A C 13 ATOM 7169 O O . GLU A 1 29 ? 10.401 26.093 33.197 1.00 0.00 ? 29 GLU A O 13 ATOM 7170 C CB . GLU A 1 29 ? 8.240 24.293 31.835 1.00 0.00 ? 29 GLU A CB 13 ATOM 7171 C CG . GLU A 1 29 ? 6.786 24.356 32.345 1.00 0.00 ? 29 GLU A CG 13 ATOM 7172 C CD . GLU A 1 29 ? 6.681 25.210 33.608 1.00 0.00 ? 29 GLU A CD 13 ATOM 7173 O OE1 . GLU A 1 29 ? 7.047 24.755 34.729 1.00 0.00 ? 29 GLU A OE1 13 ATOM 7174 O OE2 . GLU A 1 29 ? 6.206 26.363 33.441 1.00 0.00 ? 29 GLU A OE2 13 ATOM 7175 H H . GLU A 1 29 ? 8.926 25.211 29.441 1.00 0.00 ? 29 GLU A H 13 ATOM 7176 H HA . GLU A 1 29 ? 8.245 26.440 31.987 1.00 0.00 ? 29 GLU A HA 13 ATOM 7177 H HB2 . GLU A 1 29 ? 8.263 23.648 30.931 1.00 0.00 ? 29 GLU A HB2 13 ATOM 7178 H HB3 . GLU A 1 29 ? 8.790 23.758 32.643 1.00 0.00 ? 29 GLU A HB3 13 ATOM 7179 H HG2 . GLU A 1 29 ? 6.155 24.804 31.548 1.00 0.00 ? 29 GLU A HG2 13 ATOM 7180 H HG3 . GLU A 1 29 ? 6.387 23.346 32.589 1.00 0.00 ? 29 GLU A HG3 13 ATOM 7181 N N . ALA A 1 30 ? 11.305 25.670 31.188 1.00 0.00 ? 30 ALA A N 13 ATOM 7182 C CA . ALA A 1 30 ? 12.678 25.725 31.684 1.00 0.00 ? 30 ALA A CA 13 ATOM 7183 C C . ALA A 1 30 ? 13.226 27.145 31.845 1.00 0.00 ? 30 ALA A C 13 ATOM 7184 O O . ALA A 1 30 ? 14.116 27.407 32.646 1.00 0.00 ? 30 ALA A O 13 ATOM 7185 C CB . ALA A 1 30 ? 13.613 24.878 30.798 1.00 0.00 ? 30 ALA A CB 13 ATOM 7186 H H . ALA A 1 30 ? 11.203 25.420 30.222 1.00 0.00 ? 30 ALA A H 13 ATOM 7187 H HA . ALA A 1 30 ? 12.719 25.266 32.666 1.00 0.00 ? 30 ALA A HA 13 ATOM 7188 H HB1 . ALA A 1 30 ? 13.199 23.851 30.693 1.00 0.00 ? 30 ALA A HB1 13 ATOM 7189 H HB2 . ALA A 1 30 ? 13.713 25.296 29.772 1.00 0.00 ? 30 ALA A HB2 13 ATOM 7190 H HB3 . ALA A 1 30 ? 14.627 24.782 31.247 1.00 0.00 ? 30 ALA A HB3 13 ATOM 7191 N N . ALA A 1 31 ? 12.678 28.126 31.086 1.00 0.00 ? 31 ALA A N 13 ATOM 7192 C CA . ALA A 1 31 ? 12.938 29.552 31.275 1.00 0.00 ? 31 ALA A CA 13 ATOM 7193 C C . ALA A 1 31 ? 11.947 30.229 32.215 1.00 0.00 ? 31 ALA A C 13 ATOM 7194 O O . ALA A 1 31 ? 12.074 31.433 32.428 1.00 0.00 ? 31 ALA A O 13 ATOM 7195 C CB . ALA A 1 31 ? 12.945 30.321 29.930 1.00 0.00 ? 31 ALA A CB 13 ATOM 7196 H H . ALA A 1 31 ? 11.977 27.897 30.411 1.00 0.00 ? 31 ALA A H 13 ATOM 7197 H HA . ALA A 1 31 ? 13.937 29.728 31.703 1.00 0.00 ? 31 ALA A HA 13 ATOM 7198 H HB1 . ALA A 1 31 ? 13.625 29.812 29.212 1.00 0.00 ? 31 ALA A HB1 13 ATOM 7199 H HB2 . ALA A 1 31 ? 11.939 30.346 29.451 1.00 0.00 ? 31 ALA A HB2 13 ATOM 7200 H HB3 . ALA A 1 31 ? 13.303 31.372 30.040 1.00 0.00 ? 31 ALA A HB3 13 ATOM 7201 N N . LYS A 1 32 ? 10.955 29.501 32.827 1.00 0.00 ? 32 LYS A N 13 ATOM 7202 C CA . LYS A 1 32 ? 9.759 30.057 33.495 1.00 0.00 ? 32 LYS A CA 13 ATOM 7203 C C . LYS A 1 32 ? 10.013 30.804 34.792 1.00 0.00 ? 32 LYS A C 13 ATOM 7204 O O . LYS A 1 32 ? 9.526 31.921 34.969 1.00 0.00 ? 32 LYS A O 13 ATOM 7205 C CB . LYS A 1 32 ? 8.653 28.979 33.750 1.00 0.00 ? 32 LYS A CB 13 ATOM 7206 C CG . LYS A 1 32 ? 7.327 29.424 34.441 1.00 0.00 ? 32 LYS A CG 13 ATOM 7207 C CD . LYS A 1 32 ? 7.192 29.088 35.944 1.00 0.00 ? 32 LYS A CD 13 ATOM 7208 C CE . LYS A 1 32 ? 6.958 27.584 36.162 1.00 0.00 ? 32 LYS A CE 13 ATOM 7209 N NZ . LYS A 1 32 ? 6.805 27.176 37.573 1.00 0.00 ? 32 LYS A NZ 13 ATOM 7210 H H . LYS A 1 32 ? 10.955 28.505 32.743 1.00 0.00 ? 32 LYS A H 13 ATOM 7211 H HA . LYS A 1 32 ? 9.331 30.780 32.811 1.00 0.00 ? 32 LYS A HA 13 ATOM 7212 H HB2 . LYS A 1 32 ? 8.346 28.630 32.739 1.00 0.00 ? 32 LYS A HB2 13 ATOM 7213 H HB3 . LYS A 1 32 ? 9.070 28.088 34.266 1.00 0.00 ? 32 LYS A HB3 13 ATOM 7214 H HG2 . LYS A 1 32 ? 7.161 30.511 34.269 1.00 0.00 ? 32 LYS A HG2 13 ATOM 7215 H HG3 . LYS A 1 32 ? 6.499 28.885 33.925 1.00 0.00 ? 32 LYS A HG3 13 ATOM 7216 H HD2 . LYS A 1 32 ? 8.084 29.443 36.501 1.00 0.00 ? 32 LYS A HD2 13 ATOM 7217 H HD3 . LYS A 1 32 ? 6.308 29.644 36.325 1.00 0.00 ? 32 LYS A HD3 13 ATOM 7218 H HE2 . LYS A 1 32 ? 6.023 27.282 35.644 1.00 0.00 ? 32 LYS A HE2 13 ATOM 7219 H HE3 . LYS A 1 32 ? 7.803 26.995 35.743 1.00 0.00 ? 32 LYS A HE3 13 ATOM 7220 H HZ1 . LYS A 1 32 ? 7.644 27.433 38.132 1.00 0.00 ? 32 LYS A HZ1 13 ATOM 7221 H HZ2 . LYS A 1 32 ? 5.940 27.578 37.988 1.00 0.00 ? 32 LYS A HZ2 13 ATOM 7222 H HZ3 . LYS A 1 32 ? 6.717 26.136 37.518 1.00 0.00 ? 32 LYS A HZ3 13 ATOM 7223 N N . GLU A 1 33 ? 10.798 30.195 35.732 1.00 0.00 ? 33 GLU A N 13 ATOM 7224 C CA . GLU A 1 33 ? 11.240 30.809 36.990 1.00 0.00 ? 33 GLU A CA 13 ATOM 7225 C C . GLU A 1 33 ? 12.570 31.502 36.786 1.00 0.00 ? 33 GLU A C 13 ATOM 7226 O O . GLU A 1 33 ? 13.034 32.298 37.594 1.00 0.00 ? 33 GLU A O 13 ATOM 7227 C CB . GLU A 1 33 ? 11.466 29.783 38.151 1.00 0.00 ? 33 GLU A CB 13 ATOM 7228 C CG . GLU A 1 33 ? 12.486 28.627 37.898 1.00 0.00 ? 33 GLU A CG 13 ATOM 7229 C CD . GLU A 1 33 ? 13.304 28.344 39.165 1.00 0.00 ? 33 GLU A CD 13 ATOM 7230 O OE1 . GLU A 1 33 ? 12.703 28.360 40.273 1.00 0.00 ? 33 GLU A OE1 13 ATOM 7231 O OE2 . GLU A 1 33 ? 14.534 28.096 39.032 1.00 0.00 ? 33 GLU A OE2 13 ATOM 7232 H H . GLU A 1 33 ? 11.076 29.245 35.618 1.00 0.00 ? 33 GLU A H 13 ATOM 7233 H HA . GLU A 1 33 ? 10.514 31.545 37.321 1.00 0.00 ? 33 GLU A HA 13 ATOM 7234 H HB2 . GLU A 1 33 ? 11.768 30.346 39.067 1.00 0.00 ? 33 GLU A HB2 13 ATOM 7235 H HB3 . GLU A 1 33 ? 10.496 29.309 38.415 1.00 0.00 ? 33 GLU A HB3 13 ATOM 7236 H HG2 . GLU A 1 33 ? 11.950 27.700 37.609 1.00 0.00 ? 33 GLU A HG2 13 ATOM 7237 H HG3 . GLU A 1 33 ? 13.220 28.838 37.095 1.00 0.00 ? 33 GLU A HG3 13 ATOM 7238 N N . ALA A 1 34 ? 13.220 31.123 35.657 1.00 0.00 ? 34 ALA A N 13 ATOM 7239 C CA . ALA A 1 34 ? 14.616 31.323 35.351 1.00 0.00 ? 34 ALA A CA 13 ATOM 7240 C C . ALA A 1 34 ? 14.839 32.630 34.637 1.00 0.00 ? 34 ALA A C 13 ATOM 7241 O O . ALA A 1 34 ? 15.768 33.353 34.968 1.00 0.00 ? 34 ALA A O 13 ATOM 7242 C CB . ALA A 1 34 ? 15.196 30.143 34.537 1.00 0.00 ? 34 ALA A CB 13 ATOM 7243 H H . ALA A 1 34 ? 12.724 30.547 35.017 1.00 0.00 ? 34 ALA A H 13 ATOM 7244 H HA . ALA A 1 34 ? 15.192 31.347 36.262 1.00 0.00 ? 34 ALA A HA 13 ATOM 7245 H HB1 . ALA A 1 34 ? 15.011 29.191 35.085 1.00 0.00 ? 34 ALA A HB1 13 ATOM 7246 H HB2 . ALA A 1 34 ? 14.737 30.041 33.536 1.00 0.00 ? 34 ALA A HB2 13 ATOM 7247 H HB3 . ALA A 1 34 ? 16.298 30.236 34.416 1.00 0.00 ? 34 ALA A HB3 13 ATOM 7248 N N . VAL A 1 35 ? 14.012 32.969 33.603 1.00 0.00 ? 35 VAL A N 13 ATOM 7249 C CA . VAL A 1 35 ? 13.957 34.233 32.857 1.00 0.00 ? 35 VAL A CA 13 ATOM 7250 C C . VAL A 1 35 ? 15.218 34.499 32.001 1.00 0.00 ? 35 VAL A C 13 ATOM 7251 O O . VAL A 1 35 ? 15.529 35.615 31.592 1.00 0.00 ? 35 VAL A O 13 ATOM 7252 C CB . VAL A 1 35 ? 13.494 35.424 33.730 1.00 0.00 ? 35 VAL A CB 13 ATOM 7253 C CG1 . VAL A 1 35 ? 12.988 36.627 32.891 1.00 0.00 ? 35 VAL A CG1 13 ATOM 7254 C CG2 . VAL A 1 35 ? 12.328 34.969 34.648 1.00 0.00 ? 35 VAL A CG2 13 ATOM 7255 H H . VAL A 1 35 ? 13.261 32.347 33.336 1.00 0.00 ? 35 VAL A H 13 ATOM 7256 H HA . VAL A 1 35 ? 13.156 34.070 32.150 1.00 0.00 ? 35 VAL A HA 13 ATOM 7257 H HB . VAL A 1 35 ? 14.332 35.763 34.380 1.00 0.00 ? 35 VAL A HB 13 ATOM 7258 H HG11 . VAL A 1 35 ? 12.178 36.303 32.205 1.00 0.00 ? 35 VAL A HG11 13 ATOM 7259 H HG12 . VAL A 1 35 ? 12.578 37.412 33.561 1.00 0.00 ? 35 VAL A HG12 13 ATOM 7260 H HG13 . VAL A 1 35 ? 13.795 37.094 32.289 1.00 0.00 ? 35 VAL A HG13 13 ATOM 7261 H HG21 . VAL A 1 35 ? 11.504 34.521 34.054 1.00 0.00 ? 35 VAL A HG21 13 ATOM 7262 H HG22 . VAL A 1 35 ? 12.646 34.229 35.415 1.00 0.00 ? 35 VAL A HG22 13 ATOM 7263 H HG23 . VAL A 1 35 ? 11.914 35.841 35.197 1.00 0.00 ? 35 VAL A HG23 13 ATOM 7264 N N . ASN A 1 36 ? 16.006 33.430 31.727 1.00 0.00 ? 36 ASN A N 13 ATOM 7265 C CA . ASN A 1 36 ? 17.300 33.556 31.096 1.00 0.00 ? 36 ASN A CA 13 ATOM 7266 C C . ASN A 1 36 ? 17.652 32.207 30.521 1.00 0.00 ? 36 ASN A C 13 ATOM 7267 O O . ASN A 1 36 ? 17.733 32.031 29.308 1.00 0.00 ? 36 ASN A O 13 ATOM 7268 C CB . ASN A 1 36 ? 18.427 34.190 32.004 1.00 0.00 ? 36 ASN A CB 13 ATOM 7269 C CG . ASN A 1 36 ? 19.030 33.299 33.101 1.00 0.00 ? 36 ASN A CG 13 ATOM 7270 O OD1 . ASN A 1 36 ? 20.220 33.028 33.030 1.00 0.00 ? 36 ASN A OD1 13 ATOM 7271 N ND2 . ASN A 1 36 ? 18.246 32.742 34.055 1.00 0.00 ? 36 ASN A ND2 13 ATOM 7272 H H . ASN A 1 36 ? 15.720 32.510 31.981 1.00 0.00 ? 36 ASN A H 13 ATOM 7273 H HA . ASN A 1 36 ? 17.204 34.197 30.236 1.00 0.00 ? 36 ASN A HA 13 ATOM 7274 H HB2 . ASN A 1 36 ? 19.278 34.480 31.350 1.00 0.00 ? 36 ASN A HB2 13 ATOM 7275 H HB3 . ASN A 1 36 ? 18.050 35.128 32.470 1.00 0.00 ? 36 ASN A HB3 13 ATOM 7276 H HD21 . ASN A 1 36 ? 17.239 32.883 34.080 1.00 0.00 ? 36 ASN A HD21 13 ATOM 7277 H HD22 . ASN A 1 36 ? 18.683 32.254 34.811 1.00 0.00 ? 36 ASN A HD22 13 ATOM 7278 N N . LEU A 1 37 ? 17.925 31.238 31.439 1.00 0.00 ? 37 LEU A N 13 ATOM 7279 C CA . LEU A 1 37 ? 18.351 29.870 31.238 1.00 0.00 ? 37 LEU A CA 13 ATOM 7280 C C . LEU A 1 37 ? 19.797 29.760 30.734 1.00 0.00 ? 37 LEU A C 13 ATOM 7281 O O . LEU A 1 37 ? 20.089 28.940 29.867 1.00 0.00 ? 37 LEU A O 13 ATOM 7282 C CB . LEU A 1 37 ? 17.328 29.047 30.387 1.00 0.00 ? 37 LEU A CB 13 ATOM 7283 C CG . LEU A 1 37 ? 17.017 27.596 30.834 1.00 0.00 ? 37 LEU A CG 13 ATOM 7284 C CD1 . LEU A 1 37 ? 16.225 26.894 29.720 1.00 0.00 ? 37 LEU A CD1 13 ATOM 7285 C CD2 . LEU A 1 37 ? 18.223 26.741 31.271 1.00 0.00 ? 37 LEU A CD2 13 ATOM 7286 H H . LEU A 1 37 ? 17.915 31.495 32.404 1.00 0.00 ? 37 LEU A H 13 ATOM 7287 H HA . LEU A 1 37 ? 18.343 29.442 32.230 1.00 0.00 ? 37 LEU A HA 13 ATOM 7288 H HB2 . LEU A 1 37 ? 16.348 29.568 30.459 1.00 0.00 ? 37 LEU A HB2 13 ATOM 7289 H HB3 . LEU A 1 37 ? 17.604 29.070 29.310 1.00 0.00 ? 37 LEU A HB3 13 ATOM 7290 H HG . LEU A 1 37 ? 16.368 27.659 31.737 1.00 0.00 ? 37 LEU A HG 13 ATOM 7291 H HD11 . LEU A 1 37 ? 16.794 26.939 28.767 1.00 0.00 ? 37 LEU A HD11 13 ATOM 7292 H HD12 . LEU A 1 37 ? 16.057 25.828 29.967 1.00 0.00 ? 37 LEU A HD12 13 ATOM 7293 H HD13 . LEU A 1 37 ? 15.242 27.387 29.560 1.00 0.00 ? 37 LEU A HD13 13 ATOM 7294 H HD21 . LEU A 1 37 ? 18.958 26.666 30.440 1.00 0.00 ? 37 LEU A HD21 13 ATOM 7295 H HD22 . LEU A 1 37 ? 18.735 27.177 32.156 1.00 0.00 ? 37 LEU A HD22 13 ATOM 7296 H HD23 . LEU A 1 37 ? 17.899 25.712 31.537 1.00 0.00 ? 37 LEU A HD23 13 ATOM 7297 N N . LYS A 1 38 ? 20.737 30.605 31.238 1.00 0.00 ? 38 LYS A N 13 ATOM 7298 C CA . LYS A 1 38 ? 22.143 30.522 30.888 1.00 0.00 ? 38 LYS A CA 13 ATOM 7299 C C . LYS A 1 38 ? 22.938 30.980 32.128 1.00 0.00 ? 38 LYS A C 13 ATOM 7300 O O . LYS A 1 38 ? 22.796 30.311 33.192 1.00 0.00 ? 38 LYS A O 13 ATOM 7301 C CB . LYS A 1 38 ? 22.580 31.397 29.679 1.00 0.00 ? 38 LYS A CB 13 ATOM 7302 C CG . LYS A 1 38 ? 21.980 30.972 28.331 1.00 0.00 ? 38 LYS A CG 13 ATOM 7303 C CD . LYS A 1 38 ? 22.687 31.534 27.092 1.00 0.00 ? 38 LYS A CD 13 ATOM 7304 C CE . LYS A 1 38 ? 22.670 33.067 26.995 1.00 0.00 ? 38 LYS A CE 13 ATOM 7305 N NZ . LYS A 1 38 ? 23.275 33.525 25.715 1.00 0.00 ? 38 LYS A NZ 13 ATOM 7306 O OXT . LYS A 1 38 ? 23.707 31.973 32.024 1.00 0.00 ? 38 LYS A OXT 13 ATOM 7307 H H . LYS A 1 38 ? 20.538 31.296 31.941 1.00 0.00 ? 38 LYS A H 13 ATOM 7308 H HA . LYS A 1 38 ? 22.424 29.491 30.704 1.00 0.00 ? 38 LYS A HA 13 ATOM 7309 H HB2 . LYS A 1 38 ? 22.339 32.458 29.894 1.00 0.00 ? 38 LYS A HB2 13 ATOM 7310 H HB3 . LYS A 1 38 ? 23.685 31.312 29.595 1.00 0.00 ? 38 LYS A HB3 13 ATOM 7311 H HG2 . LYS A 1 38 ? 22.048 29.863 28.277 1.00 0.00 ? 38 LYS A HG2 13 ATOM 7312 H HG3 . LYS A 1 38 ? 20.904 31.238 28.312 1.00 0.00 ? 38 LYS A HG3 13 ATOM 7313 H HD2 . LYS A 1 38 ? 23.736 31.160 27.104 1.00 0.00 ? 38 LYS A HD2 13 ATOM 7314 H HD3 . LYS A 1 38 ? 22.172 31.093 26.209 1.00 0.00 ? 38 LYS A HD3 13 ATOM 7315 H HE2 . LYS A 1 38 ? 21.631 33.456 27.042 1.00 0.00 ? 38 LYS A HE2 13 ATOM 7316 H HE3 . LYS A 1 38 ? 23.262 33.515 27.824 1.00 0.00 ? 38 LYS A HE3 13 ATOM 7317 H HZ1 . LYS A 1 38 ? 24.227 33.118 25.622 1.00 0.00 ? 38 LYS A HZ1 13 ATOM 7318 H HZ2 . LYS A 1 38 ? 22.704 33.225 24.900 1.00 0.00 ? 38 LYS A HZ2 13 ATOM 7319 H HZ3 . LYS A 1 38 ? 23.350 34.563 25.708 1.00 0.00 ? 38 LYS A HZ3 13 ATOM 7320 N N . GLU A 1 1 ? 0.059 0.290 9.556 1.00 0.00 ? 1 GLU A N 14 ATOM 7321 C CA . GLU A 1 1 ? 0.292 -0.548 8.359 1.00 0.00 ? 1 GLU A CA 14 ATOM 7322 C C . GLU A 1 1 ? -0.521 -1.804 8.334 1.00 0.00 ? 1 GLU A C 14 ATOM 7323 O O . GLU A 1 1 ? -1.260 -2.022 7.383 1.00 0.00 ? 1 GLU A O 14 ATOM 7324 C CB . GLU A 1 1 ? 1.818 -0.829 8.194 1.00 0.00 ? 1 GLU A CB 14 ATOM 7325 C CG . GLU A 1 1 ? 2.538 0.307 7.435 1.00 0.00 ? 1 GLU A CG 14 ATOM 7326 C CD . GLU A 1 1 ? 2.590 1.626 8.181 1.00 0.00 ? 1 GLU A CD 14 ATOM 7327 O OE1 . GLU A 1 1 ? 2.158 1.696 9.368 1.00 0.00 ? 1 GLU A OE1 14 ATOM 7328 O OE2 . GLU A 1 1 ? 3.125 2.618 7.617 1.00 0.00 ? 1 GLU A OE2 14 ATOM 7329 H H1 . GLU A 1 1 ? 0.141 -0.281 10.417 1.00 0.00 ? 1 GLU A H1 14 ATOM 7330 H H2 . GLU A 1 1 ? 0.825 1.012 9.551 1.00 0.00 ? 1 GLU A H2 14 ATOM 7331 H H3 . GLU A 1 1 ? -0.874 0.765 9.519 1.00 0.00 ? 1 GLU A H3 14 ATOM 7332 H HA . GLU A 1 1 ? -0.036 0.042 7.521 1.00 0.00 ? 1 GLU A HA 14 ATOM 7333 H HB2 . GLU A 1 1 ? 2.326 -1.002 9.170 1.00 0.00 ? 1 GLU A HB2 14 ATOM 7334 H HB3 . GLU A 1 1 ? 2.014 -1.727 7.559 1.00 0.00 ? 1 GLU A HB3 14 ATOM 7335 H HG2 . GLU A 1 1 ? 3.587 0.008 7.230 1.00 0.00 ? 1 GLU A HG2 14 ATOM 7336 H HG3 . GLU A 1 1 ? 2.026 0.471 6.465 1.00 0.00 ? 1 GLU A HG3 14 ATOM 7337 N N . ALA A 1 2 ? -0.415 -2.693 9.363 1.00 0.00 ? 2 ALA A N 14 ATOM 7338 C CA . ALA A 1 2 ? -1.162 -3.951 9.450 1.00 0.00 ? 2 ALA A CA 14 ATOM 7339 C C . ALA A 1 2 ? -2.606 -3.795 9.914 1.00 0.00 ? 2 ALA A C 14 ATOM 7340 O O . ALA A 1 2 ? -3.441 -4.649 9.634 1.00 0.00 ? 2 ALA A O 14 ATOM 7341 C CB . ALA A 1 2 ? -0.452 -4.975 10.374 1.00 0.00 ? 2 ALA A CB 14 ATOM 7342 H H . ALA A 1 2 ? 0.284 -2.590 10.064 1.00 0.00 ? 2 ALA A H 14 ATOM 7343 H HA . ALA A 1 2 ? -1.202 -4.404 8.466 1.00 0.00 ? 2 ALA A HA 14 ATOM 7344 H HB1 . ALA A 1 2 ? 0.580 -5.154 10.003 1.00 0.00 ? 2 ALA A HB1 14 ATOM 7345 H HB2 . ALA A 1 2 ? -0.370 -4.623 11.427 1.00 0.00 ? 2 ALA A HB2 14 ATOM 7346 H HB3 . ALA A 1 2 ? -0.973 -5.963 10.381 1.00 0.00 ? 2 ALA A HB3 14 ATOM 7347 N N . TYR A 1 3 ? -2.945 -2.690 10.618 1.00 0.00 ? 3 TYR A N 14 ATOM 7348 C CA . TYR A 1 3 ? -4.307 -2.413 11.007 1.00 0.00 ? 3 TYR A CA 14 ATOM 7349 C C . TYR A 1 3 ? -4.206 -0.942 11.272 1.00 0.00 ? 3 TYR A C 14 ATOM 7350 O O . TYR A 1 3 ? -3.088 -0.425 11.296 1.00 0.00 ? 3 TYR A O 14 ATOM 7351 C CB . TYR A 1 3 ? -4.834 -3.205 12.264 1.00 0.00 ? 3 TYR A CB 14 ATOM 7352 C CG . TYR A 1 3 ? -6.266 -3.629 12.030 1.00 0.00 ? 3 TYR A CG 14 ATOM 7353 C CD1 . TYR A 1 3 ? -6.552 -4.737 11.204 1.00 0.00 ? 3 TYR A CD1 14 ATOM 7354 C CD2 . TYR A 1 3 ? -7.344 -2.920 12.594 1.00 0.00 ? 3 TYR A CD2 14 ATOM 7355 C CE1 . TYR A 1 3 ? -7.875 -5.108 10.922 1.00 0.00 ? 3 TYR A CE1 14 ATOM 7356 C CE2 . TYR A 1 3 ? -8.670 -3.281 12.308 1.00 0.00 ? 3 TYR A CE2 14 ATOM 7357 C CZ . TYR A 1 3 ? -8.938 -4.371 11.469 1.00 0.00 ? 3 TYR A CZ 14 ATOM 7358 O OH . TYR A 1 3 ? -10.279 -4.701 11.166 1.00 0.00 ? 3 TYR A OH 14 ATOM 7359 H H . TYR A 1 3 ? -2.334 -1.921 10.826 1.00 0.00 ? 3 TYR A H 14 ATOM 7360 H HA . TYR A 1 3 ? -4.950 -2.551 10.141 1.00 0.00 ? 3 TYR A HA 14 ATOM 7361 H HB2 . TYR A 1 3 ? -4.252 -4.144 12.371 1.00 0.00 ? 3 TYR A HB2 14 ATOM 7362 H HB3 . TYR A 1 3 ? -4.762 -2.669 13.238 1.00 0.00 ? 3 TYR A HB3 14 ATOM 7363 H HD1 . TYR A 1 3 ? -5.746 -5.315 10.770 1.00 0.00 ? 3 TYR A HD1 14 ATOM 7364 H HD2 . TYR A 1 3 ? -7.154 -2.086 13.252 1.00 0.00 ? 3 TYR A HD2 14 ATOM 7365 H HE1 . TYR A 1 3 ? -8.054 -5.958 10.278 1.00 0.00 ? 3 TYR A HE1 14 ATOM 7366 H HE2 . TYR A 1 3 ? -9.487 -2.718 12.739 1.00 0.00 ? 3 TYR A HE2 14 ATOM 7367 H HH . TYR A 1 3 ? -10.295 -5.560 10.738 1.00 0.00 ? 3 TYR A HH 14 ATOM 7368 N N . LYS A 1 4 ? -5.381 -0.264 11.425 1.00 0.00 ? 4 LYS A N 14 ATOM 7369 C CA . LYS A 1 4 ? -5.586 1.165 11.675 1.00 0.00 ? 4 LYS A CA 14 ATOM 7370 C C . LYS A 1 4 ? -5.538 2.015 10.410 1.00 0.00 ? 4 LYS A C 14 ATOM 7371 O O . LYS A 1 4 ? -5.498 3.241 10.456 1.00 0.00 ? 4 LYS A O 14 ATOM 7372 C CB . LYS A 1 4 ? -4.769 1.763 12.868 1.00 0.00 ? 4 LYS A CB 14 ATOM 7373 C CG . LYS A 1 4 ? -5.168 1.150 14.229 1.00 0.00 ? 4 LYS A CG 14 ATOM 7374 C CD . LYS A 1 4 ? -6.139 2.022 15.044 1.00 0.00 ? 4 LYS A CD 14 ATOM 7375 C CE . LYS A 1 4 ? -5.437 2.856 16.138 1.00 0.00 ? 4 LYS A CE 14 ATOM 7376 N NZ . LYS A 1 4 ? -5.907 4.264 16.164 1.00 0.00 ? 4 LYS A NZ 14 ATOM 7377 H H . LYS A 1 4 ? -6.226 -0.802 11.431 1.00 0.00 ? 4 LYS A H 14 ATOM 7378 H HA . LYS A 1 4 ? -6.617 1.236 11.990 1.00 0.00 ? 4 LYS A HA 14 ATOM 7379 H HB2 . LYS A 1 4 ? -3.689 1.573 12.687 1.00 0.00 ? 4 LYS A HB2 14 ATOM 7380 H HB3 . LYS A 1 4 ? -4.891 2.869 12.945 1.00 0.00 ? 4 LYS A HB3 14 ATOM 7381 H HG2 . LYS A 1 4 ? -5.639 0.160 14.036 1.00 0.00 ? 4 LYS A HG2 14 ATOM 7382 H HG3 . LYS A 1 4 ? -4.255 0.962 14.836 1.00 0.00 ? 4 LYS A HG3 14 ATOM 7383 H HD2 . LYS A 1 4 ? -6.735 2.630 14.329 1.00 0.00 ? 4 LYS A HD2 14 ATOM 7384 H HD3 . LYS A 1 4 ? -6.849 1.345 15.569 1.00 0.00 ? 4 LYS A HD3 14 ATOM 7385 H HE2 . LYS A 1 4 ? -5.612 2.400 17.139 1.00 0.00 ? 4 LYS A HE2 14 ATOM 7386 H HE3 . LYS A 1 4 ? -4.340 2.882 15.957 1.00 0.00 ? 4 LYS A HE3 14 ATOM 7387 H HZ1 . LYS A 1 4 ? -6.896 4.343 15.854 1.00 0.00 ? 4 LYS A HZ1 14 ATOM 7388 H HZ2 . LYS A 1 4 ? -5.803 4.680 17.109 1.00 0.00 ? 4 LYS A HZ2 14 ATOM 7389 H HZ3 . LYS A 1 4 ? -5.291 4.794 15.477 1.00 0.00 ? 4 LYS A HZ3 14 ATOM 7390 N N . LYS A 1 5 ? -5.592 1.344 9.224 1.00 0.00 ? 5 LYS A N 14 ATOM 7391 C CA . LYS A 1 5 ? -5.706 1.878 7.865 1.00 0.00 ? 5 LYS A CA 14 ATOM 7392 C C . LYS A 1 5 ? -4.376 2.383 7.343 1.00 0.00 ? 5 LYS A C 14 ATOM 7393 O O . LYS A 1 5 ? -3.686 1.699 6.593 1.00 0.00 ? 5 LYS A O 14 ATOM 7394 C CB . LYS A 1 5 ? -6.869 2.906 7.578 1.00 0.00 ? 5 LYS A CB 14 ATOM 7395 C CG . LYS A 1 5 ? -8.266 2.282 7.365 1.00 0.00 ? 5 LYS A CG 14 ATOM 7396 C CD . LYS A 1 5 ? -8.436 1.596 5.992 1.00 0.00 ? 5 LYS A CD 14 ATOM 7397 C CE . LYS A 1 5 ? -9.893 1.432 5.501 1.00 0.00 ? 5 LYS A CE 14 ATOM 7398 N NZ . LYS A 1 5 ? -10.706 0.621 6.439 1.00 0.00 ? 5 LYS A NZ 14 ATOM 7399 H H . LYS A 1 5 ? -5.516 0.353 9.254 1.00 0.00 ? 5 LYS A H 14 ATOM 7400 H HA . LYS A 1 5 ? -5.916 1.017 7.244 1.00 0.00 ? 5 LYS A HA 14 ATOM 7401 H HB2 . LYS A 1 5 ? -6.924 3.630 8.420 1.00 0.00 ? 5 LYS A HB2 14 ATOM 7402 H HB3 . LYS A 1 5 ? -6.683 3.505 6.652 1.00 0.00 ? 5 LYS A HB3 14 ATOM 7403 H HG2 . LYS A 1 5 ? -8.470 1.583 8.203 1.00 0.00 ? 5 LYS A HG2 14 ATOM 7404 H HG3 . LYS A 1 5 ? -8.987 3.126 7.425 1.00 0.00 ? 5 LYS A HG3 14 ATOM 7405 H HD2 . LYS A 1 5 ? -7.934 2.231 5.226 1.00 0.00 ? 5 LYS A HD2 14 ATOM 7406 H HD3 . LYS A 1 5 ? -7.905 0.616 6.007 1.00 0.00 ? 5 LYS A HD3 14 ATOM 7407 H HE2 . LYS A 1 5 ? -10.384 2.425 5.406 1.00 0.00 ? 5 LYS A HE2 14 ATOM 7408 H HE3 . LYS A 1 5 ? -9.912 0.930 4.510 1.00 0.00 ? 5 LYS A HE3 14 ATOM 7409 H HZ1 . LYS A 1 5 ? -10.285 -0.325 6.541 1.00 0.00 ? 5 LYS A HZ1 14 ATOM 7410 H HZ2 . LYS A 1 5 ? -10.711 1.107 7.360 1.00 0.00 ? 5 LYS A HZ2 14 ATOM 7411 H HZ3 . LYS A 1 5 ? -11.685 0.530 6.082 1.00 0.00 ? 5 LYS A HZ3 14 ATOM 7412 N N . ALA A 1 6 ? -4.028 3.640 7.714 1.00 0.00 ? 6 ALA A N 14 ATOM 7413 C CA . ALA A 1 6 ? -2.766 4.280 7.381 1.00 0.00 ? 6 ALA A CA 14 ATOM 7414 C C . ALA A 1 6 ? -1.758 4.031 8.483 1.00 0.00 ? 6 ALA A C 14 ATOM 7415 O O . ALA A 1 6 ? -1.197 2.940 8.634 1.00 0.00 ? 6 ALA A O 14 ATOM 7416 C CB . ALA A 1 6 ? -2.954 5.797 7.090 1.00 0.00 ? 6 ALA A CB 14 ATOM 7417 H H . ALA A 1 6 ? -4.560 4.083 8.440 1.00 0.00 ? 6 ALA A H 14 ATOM 7418 H HA . ALA A 1 6 ? -2.357 3.838 6.477 1.00 0.00 ? 6 ALA A HA 14 ATOM 7419 H HB1 . ALA A 1 6 ? -3.485 6.311 7.921 1.00 0.00 ? 6 ALA A HB1 14 ATOM 7420 H HB2 . ALA A 1 6 ? -1.997 6.327 6.878 1.00 0.00 ? 6 ALA A HB2 14 ATOM 7421 H HB3 . ALA A 1 6 ? -3.589 5.899 6.183 1.00 0.00 ? 6 ALA A HB3 14 ATOM 7422 N N . LYS A 1 7 ? -1.560 5.082 9.320 1.00 0.00 ? 7 LYS A N 14 ATOM 7423 C CA . LYS A 1 7 ? -0.765 5.087 10.524 1.00 0.00 ? 7 LYS A CA 14 ATOM 7424 C C . LYS A 1 7 ? -1.747 4.958 11.658 1.00 0.00 ? 7 LYS A C 14 ATOM 7425 O O . LYS A 1 7 ? -2.953 5.002 11.431 1.00 0.00 ? 7 LYS A O 14 ATOM 7426 C CB . LYS A 1 7 ? 0.117 6.374 10.611 1.00 0.00 ? 7 LYS A CB 14 ATOM 7427 C CG . LYS A 1 7 ? 1.595 6.123 10.931 1.00 0.00 ? 7 LYS A CG 14 ATOM 7428 C CD . LYS A 1 7 ? 2.293 5.183 9.940 1.00 0.00 ? 7 LYS A CD 14 ATOM 7429 C CE . LYS A 1 7 ? 3.726 4.840 10.371 1.00 0.00 ? 7 LYS A CE 14 ATOM 7430 N NZ . LYS A 1 7 ? 4.163 3.566 9.759 1.00 0.00 ? 7 LYS A NZ 14 ATOM 7431 H H . LYS A 1 7 ? -2.097 5.912 9.203 1.00 0.00 ? 7 LYS A H 14 ATOM 7432 H HA . LYS A 1 7 ? -0.151 4.197 10.547 1.00 0.00 ? 7 LYS A HA 14 ATOM 7433 H HB2 . LYS A 1 7 ? 0.110 6.862 9.610 1.00 0.00 ? 7 LYS A HB2 14 ATOM 7434 H HB3 . LYS A 1 7 ? -0.279 7.126 11.330 1.00 0.00 ? 7 LYS A HB3 14 ATOM 7435 H HG2 . LYS A 1 7 ? 2.127 7.100 10.950 1.00 0.00 ? 7 LYS A HG2 14 ATOM 7436 H HG3 . LYS A 1 7 ? 1.642 5.677 11.947 1.00 0.00 ? 7 LYS A HG3 14 ATOM 7437 H HD2 . LYS A 1 7 ? 1.723 4.230 9.909 1.00 0.00 ? 7 LYS A HD2 14 ATOM 7438 H HD3 . LYS A 1 7 ? 2.284 5.614 8.909 1.00 0.00 ? 7 LYS A HD3 14 ATOM 7439 H HE2 . LYS A 1 7 ? 4.426 5.646 10.067 1.00 0.00 ? 7 LYS A HE2 14 ATOM 7440 H HE3 . LYS A 1 7 ? 3.772 4.712 11.474 1.00 0.00 ? 7 LYS A HE3 14 ATOM 7441 H HZ1 . LYS A 1 7 ? 3.739 3.405 8.778 1.00 0.00 ? 7 LYS A HZ1 14 ATOM 7442 H HZ2 . LYS A 1 7 ? 5.194 3.455 9.718 1.00 0.00 ? 7 LYS A HZ2 14 ATOM 7443 H HZ3 . LYS A 1 7 ? 3.714 2.767 10.265 1.00 0.00 ? 7 LYS A HZ3 14 ATOM 7444 N N . GLN A 1 8 ? -1.264 4.740 12.901 1.00 0.00 ? 8 GLN A N 14 ATOM 7445 C CA . GLN A 1 8 ? -2.032 4.366 14.074 1.00 0.00 ? 8 GLN A CA 14 ATOM 7446 C C . GLN A 1 8 ? -2.987 5.440 14.584 1.00 0.00 ? 8 GLN A C 14 ATOM 7447 O O . GLN A 1 8 ? -4.195 5.310 14.400 1.00 0.00 ? 8 GLN A O 14 ATOM 7448 C CB . GLN A 1 8 ? -1.113 3.837 15.218 1.00 0.00 ? 8 GLN A CB 14 ATOM 7449 C CG . GLN A 1 8 ? 0.241 4.574 15.385 1.00 0.00 ? 8 GLN A CG 14 ATOM 7450 C CD . GLN A 1 8 ? 1.322 3.879 14.541 1.00 0.00 ? 8 GLN A CD 14 ATOM 7451 O OE1 . GLN A 1 8 ? 1.165 3.664 13.337 1.00 0.00 ? 8 GLN A OE1 14 ATOM 7452 N NE2 . GLN A 1 8 ? 2.456 3.496 15.168 1.00 0.00 ? 8 GLN A NE2 14 ATOM 7453 H H . GLN A 1 8 ? -0.266 4.622 13.010 1.00 0.00 ? 8 GLN A H 14 ATOM 7454 H HA . GLN A 1 8 ? -2.667 3.533 13.782 1.00 0.00 ? 8 GLN A HA 14 ATOM 7455 H HB2 . GLN A 1 8 ? -1.652 3.797 16.192 1.00 0.00 ? 8 GLN A HB2 14 ATOM 7456 H HB3 . GLN A 1 8 ? -0.894 2.771 14.978 1.00 0.00 ? 8 GLN A HB3 14 ATOM 7457 H HG2 . GLN A 1 8 ? 0.168 5.647 15.119 1.00 0.00 ? 8 GLN A HG2 14 ATOM 7458 H HG3 . GLN A 1 8 ? 0.506 4.508 16.461 1.00 0.00 ? 8 GLN A HG3 14 ATOM 7459 H HE21 . GLN A 1 8 ? 2.656 3.816 16.097 1.00 0.00 ? 8 GLN A HE21 14 ATOM 7460 H HE22 . GLN A 1 8 ? 3.082 2.912 14.654 1.00 0.00 ? 8 GLN A HE22 14 ATOM 7461 N N . ALA A 1 9 ? -2.484 6.483 15.281 1.00 0.00 ? 9 ALA A N 14 ATOM 7462 C CA . ALA A 1 9 ? -3.247 7.674 15.623 1.00 0.00 ? 9 ALA A CA 14 ATOM 7463 C C . ALA A 1 9 ? -2.873 8.802 14.687 1.00 0.00 ? 9 ALA A C 14 ATOM 7464 O O . ALA A 1 9 ? -3.651 9.732 14.489 1.00 0.00 ? 9 ALA A O 14 ATOM 7465 C CB . ALA A 1 9 ? -3.064 8.088 17.105 1.00 0.00 ? 9 ALA A CB 14 ATOM 7466 H H . ALA A 1 9 ? -1.514 6.506 15.525 1.00 0.00 ? 9 ALA A H 14 ATOM 7467 H HA . ALA A 1 9 ? -4.306 7.508 15.481 1.00 0.00 ? 9 ALA A HA 14 ATOM 7468 H HB1 . ALA A 1 9 ? -1.997 8.280 17.340 1.00 0.00 ? 9 ALA A HB1 14 ATOM 7469 H HB2 . ALA A 1 9 ? -3.662 8.994 17.366 1.00 0.00 ? 9 ALA A HB2 14 ATOM 7470 H HB3 . ALA A 1 9 ? -3.413 7.251 17.755 1.00 0.00 ? 9 ALA A HB3 14 ATOM 7471 N N . SER A 1 10 ? -1.614 8.743 14.157 1.00 0.00 ? 10 SER A N 14 ATOM 7472 C CA . SER A 1 10 ? -0.923 9.710 13.315 1.00 0.00 ? 10 SER A CA 14 ATOM 7473 C C . SER A 1 10 ? -0.409 10.940 14.027 1.00 0.00 ? 10 SER A C 14 ATOM 7474 O O . SER A 1 10 ? -0.204 11.983 13.409 1.00 0.00 ? 10 SER A O 14 ATOM 7475 C CB . SER A 1 10 ? -1.641 10.114 11.986 1.00 0.00 ? 10 SER A CB 14 ATOM 7476 O OG . SER A 1 10 ? -1.961 8.958 11.211 1.00 0.00 ? 10 SER A OG 14 ATOM 7477 H H . SER A 1 10 ? -1.107 7.894 14.261 1.00 0.00 ? 10 SER A H 14 ATOM 7478 H HA . SER A 1 10 ? -0.018 9.199 13.047 1.00 0.00 ? 10 SER A HA 14 ATOM 7479 H HB2 . SER A 1 10 ? -2.572 10.705 12.176 1.00 0.00 ? 10 SER A HB2 14 ATOM 7480 H HB3 . SER A 1 10 ? -0.940 10.744 11.394 1.00 0.00 ? 10 SER A HB3 14 ATOM 7481 H HG . SER A 1 10 ? -2.685 9.222 10.626 1.00 0.00 ? 10 SER A HG 14 ATOM 7482 N N . GLN A 1 11 ? -0.137 10.795 15.354 1.00 0.00 ? 11 GLN A N 14 ATOM 7483 C CA . GLN A 1 11 ? 0.283 11.853 16.259 1.00 0.00 ? 11 GLN A CA 14 ATOM 7484 C C . GLN A 1 11 ? 1.781 12.071 16.201 1.00 0.00 ? 11 GLN A C 14 ATOM 7485 O O . GLN A 1 11 ? 2.271 13.197 16.229 1.00 0.00 ? 11 GLN A O 14 ATOM 7486 C CB . GLN A 1 11 ? -0.194 11.579 17.712 1.00 0.00 ? 11 GLN A CB 14 ATOM 7487 C CG . GLN A 1 11 ? 0.263 10.271 18.401 1.00 0.00 ? 11 GLN A CG 14 ATOM 7488 C CD . GLN A 1 11 ? -0.157 10.304 19.892 1.00 0.00 ? 11 GLN A CD 14 ATOM 7489 O OE1 . GLN A 1 11 ? 0.630 10.773 20.707 1.00 0.00 ? 11 GLN A OE1 14 ATOM 7490 N NE2 . GLN A 1 11 ? -1.377 9.844 20.283 1.00 0.00 ? 11 GLN A NE2 14 ATOM 7491 H H . GLN A 1 11 ? -0.356 9.926 15.787 1.00 0.00 ? 11 GLN A H 14 ATOM 7492 H HA . GLN A 1 11 ? -0.183 12.786 15.954 1.00 0.00 ? 11 GLN A HA 14 ATOM 7493 H HB2 . GLN A 1 11 ? 0.088 12.444 18.356 1.00 0.00 ? 11 GLN A HB2 14 ATOM 7494 H HB3 . GLN A 1 11 ? -1.305 11.527 17.663 1.00 0.00 ? 11 GLN A HB3 14 ATOM 7495 H HG2 . GLN A 1 11 ? -0.149 9.388 17.863 1.00 0.00 ? 11 GLN A HG2 14 ATOM 7496 H HG3 . GLN A 1 11 ? 1.373 10.193 18.382 1.00 0.00 ? 11 GLN A HG3 14 ATOM 7497 H HE21 . GLN A 1 11 ? -2.041 9.510 19.620 1.00 0.00 ? 11 GLN A HE21 14 ATOM 7498 H HE22 . GLN A 1 11 ? -1.612 9.905 21.254 1.00 0.00 ? 11 GLN A HE22 14 ATOM 7499 N N . ASP A 1 12 ? 2.540 10.968 15.979 1.00 0.00 ? 12 ASP A N 14 ATOM 7500 C CA . ASP A 1 12 ? 3.995 10.878 15.868 1.00 0.00 ? 12 ASP A CA 14 ATOM 7501 C C . ASP A 1 12 ? 4.470 11.305 14.497 1.00 0.00 ? 12 ASP A C 14 ATOM 7502 O O . ASP A 1 12 ? 5.655 11.514 14.252 1.00 0.00 ? 12 ASP A O 14 ATOM 7503 C CB . ASP A 1 12 ? 4.481 9.405 16.123 1.00 0.00 ? 12 ASP A CB 14 ATOM 7504 C CG . ASP A 1 12 ? 5.084 9.291 17.518 1.00 0.00 ? 12 ASP A CG 14 ATOM 7505 O OD1 . ASP A 1 12 ? 5.923 10.174 17.834 1.00 0.00 ? 12 ASP A OD1 14 ATOM 7506 O OD2 . ASP A 1 12 ? 4.722 8.338 18.262 1.00 0.00 ? 12 ASP A OD2 14 ATOM 7507 H H . ASP A 1 12 ? 2.091 10.090 15.930 1.00 0.00 ? 12 ASP A H 14 ATOM 7508 H HA . ASP A 1 12 ? 4.456 11.564 16.573 1.00 0.00 ? 12 ASP A HA 14 ATOM 7509 H HB2 . ASP A 1 12 ? 3.640 8.685 16.003 1.00 0.00 ? 12 ASP A HB2 14 ATOM 7510 H HB3 . ASP A 1 12 ? 5.305 9.069 15.458 1.00 0.00 ? 12 ASP A HB3 14 ATOM 7511 N N . ALA A 1 13 ? 3.501 11.493 13.567 1.00 0.00 ? 13 ALA A N 14 ATOM 7512 C CA . ALA A 1 13 ? 3.721 11.918 12.200 1.00 0.00 ? 13 ALA A CA 14 ATOM 7513 C C . ALA A 1 13 ? 3.572 13.413 12.094 1.00 0.00 ? 13 ALA A C 14 ATOM 7514 O O . ALA A 1 13 ? 4.077 14.018 11.155 1.00 0.00 ? 13 ALA A O 14 ATOM 7515 C CB . ALA A 1 13 ? 2.704 11.261 11.237 1.00 0.00 ? 13 ALA A CB 14 ATOM 7516 H H . ALA A 1 13 ? 2.547 11.393 13.844 1.00 0.00 ? 13 ALA A H 14 ATOM 7517 H HA . ALA A 1 13 ? 4.720 11.656 11.879 1.00 0.00 ? 13 ALA A HA 14 ATOM 7518 H HB1 . ALA A 1 13 ? 2.804 10.158 11.299 1.00 0.00 ? 13 ALA A HB1 14 ATOM 7519 H HB2 . ALA A 1 13 ? 1.657 11.527 11.497 1.00 0.00 ? 13 ALA A HB2 14 ATOM 7520 H HB3 . ALA A 1 13 ? 2.888 11.559 10.180 1.00 0.00 ? 13 ALA A HB3 14 ATOM 7521 N N . GLU A 1 14 ? 2.851 14.020 13.080 1.00 0.00 ? 14 GLU A N 14 ATOM 7522 C CA . GLU A 1 14 ? 2.635 15.438 13.243 1.00 0.00 ? 14 GLU A CA 14 ATOM 7523 C C . GLU A 1 14 ? 3.697 16.017 14.135 1.00 0.00 ? 14 GLU A C 14 ATOM 7524 O O . GLU A 1 14 ? 4.296 17.058 13.858 1.00 0.00 ? 14 GLU A O 14 ATOM 7525 C CB . GLU A 1 14 ? 1.232 15.740 13.818 1.00 0.00 ? 14 GLU A CB 14 ATOM 7526 C CG . GLU A 1 14 ? 0.909 17.221 13.701 1.00 0.00 ? 14 GLU A CG 14 ATOM 7527 C CD . GLU A 1 14 ? -0.488 17.518 14.171 1.00 0.00 ? 14 GLU A CD 14 ATOM 7528 O OE1 . GLU A 1 14 ? -1.488 17.122 13.524 1.00 0.00 ? 14 GLU A OE1 14 ATOM 7529 O OE2 . GLU A 1 14 ? -0.543 18.214 15.221 1.00 0.00 ? 14 GLU A OE2 14 ATOM 7530 H H . GLU A 1 14 ? 2.515 13.487 13.851 1.00 0.00 ? 14 GLU A H 14 ATOM 7531 H HA . GLU A 1 14 ? 2.710 15.934 12.284 1.00 0.00 ? 14 GLU A HA 14 ATOM 7532 H HB2 . GLU A 1 14 ? 0.479 15.192 13.213 1.00 0.00 ? 14 GLU A HB2 14 ATOM 7533 H HB3 . GLU A 1 14 ? 1.117 15.392 14.870 1.00 0.00 ? 14 GLU A HB3 14 ATOM 7534 H HG2 . GLU A 1 14 ? 1.609 17.781 14.345 1.00 0.00 ? 14 GLU A HG2 14 ATOM 7535 H HG3 . GLU A 1 14 ? 1.029 17.555 12.649 1.00 0.00 ? 14 GLU A HG3 14 ATOM 7536 N N . GLN A 1 15 ? 3.966 15.317 15.274 1.00 0.00 ? 15 GLN A N 14 ATOM 7537 C CA . GLN A 1 15 ? 4.795 15.767 16.390 1.00 0.00 ? 15 GLN A CA 14 ATOM 7538 C C . GLN A 1 15 ? 6.268 15.744 16.053 1.00 0.00 ? 15 GLN A C 14 ATOM 7539 O O . GLN A 1 15 ? 7.055 16.527 16.571 1.00 0.00 ? 15 GLN A O 14 ATOM 7540 C CB . GLN A 1 15 ? 4.478 14.998 17.707 1.00 0.00 ? 15 GLN A CB 14 ATOM 7541 C CG . GLN A 1 15 ? 4.143 15.904 18.891 1.00 0.00 ? 15 GLN A CG 14 ATOM 7542 C CD . GLN A 1 15 ? 5.423 16.417 19.519 1.00 0.00 ? 15 GLN A CD 14 ATOM 7543 O OE1 . GLN A 1 15 ? 6.481 15.806 19.470 1.00 0.00 ? 15 GLN A OE1 14 ATOM 7544 N NE2 . GLN A 1 15 ? 5.377 17.600 20.163 1.00 0.00 ? 15 GLN A NE2 14 ATOM 7545 H H . GLN A 1 15 ? 3.476 14.458 15.469 1.00 0.00 ? 15 GLN A H 14 ATOM 7546 H HA . GLN A 1 15 ? 4.539 16.801 16.575 1.00 0.00 ? 15 GLN A HA 14 ATOM 7547 H HB2 . GLN A 1 15 ? 3.499 14.514 17.568 1.00 0.00 ? 15 GLN A HB2 14 ATOM 7548 H HB3 . GLN A 1 15 ? 5.196 14.179 17.966 1.00 0.00 ? 15 GLN A HB3 14 ATOM 7549 H HG2 . GLN A 1 15 ? 3.495 16.737 18.540 1.00 0.00 ? 15 GLN A HG2 14 ATOM 7550 H HG3 . GLN A 1 15 ? 3.597 15.299 19.646 1.00 0.00 ? 15 GLN A HG3 14 ATOM 7551 H HE21 . GLN A 1 15 ? 4.505 18.056 20.326 1.00 0.00 ? 15 GLN A HE21 14 ATOM 7552 H HE22 . GLN A 1 15 ? 6.219 17.906 20.616 1.00 0.00 ? 15 GLN A HE22 14 ATOM 7553 N N . ALA A 1 16 ? 6.624 14.934 15.018 1.00 0.00 ? 16 ALA A N 14 ATOM 7554 C CA . ALA A 1 16 ? 7.906 14.953 14.337 1.00 0.00 ? 16 ALA A CA 14 ATOM 7555 C C . ALA A 1 16 ? 8.183 16.220 13.537 1.00 0.00 ? 16 ALA A C 14 ATOM 7556 O O . ALA A 1 16 ? 9.344 16.563 13.344 1.00 0.00 ? 16 ALA A O 14 ATOM 7557 C CB . ALA A 1 16 ? 8.039 13.744 13.383 1.00 0.00 ? 16 ALA A CB 14 ATOM 7558 H H . ALA A 1 16 ? 5.986 14.249 14.676 1.00 0.00 ? 16 ALA A H 14 ATOM 7559 H HA . ALA A 1 16 ? 8.690 14.879 15.083 1.00 0.00 ? 16 ALA A HA 14 ATOM 7560 H HB1 . ALA A 1 16 ? 7.175 13.671 12.687 1.00 0.00 ? 16 ALA A HB1 14 ATOM 7561 H HB2 . ALA A 1 16 ? 8.967 13.760 12.769 1.00 0.00 ? 16 ALA A HB2 14 ATOM 7562 H HB3 . ALA A 1 16 ? 8.067 12.799 13.964 1.00 0.00 ? 16 ALA A HB3 14 ATOM 7563 N N . ALA A 1 17 ? 7.144 16.991 13.081 1.00 0.00 ? 17 ALA A N 14 ATOM 7564 C CA . ALA A 1 17 ? 7.380 18.235 12.343 1.00 0.00 ? 17 ALA A CA 14 ATOM 7565 C C . ALA A 1 17 ? 7.511 19.455 13.240 1.00 0.00 ? 17 ALA A C 14 ATOM 7566 O O . ALA A 1 17 ? 8.051 20.478 12.831 1.00 0.00 ? 17 ALA A O 14 ATOM 7567 C CB . ALA A 1 17 ? 6.270 18.514 11.300 1.00 0.00 ? 17 ALA A CB 14 ATOM 7568 H H . ALA A 1 17 ? 6.179 16.745 13.228 1.00 0.00 ? 17 ALA A H 14 ATOM 7569 H HA . ALA A 1 17 ? 8.303 18.155 11.775 1.00 0.00 ? 17 ALA A HA 14 ATOM 7570 H HB1 . ALA A 1 17 ? 5.267 18.569 11.781 1.00 0.00 ? 17 ALA A HB1 14 ATOM 7571 H HB2 . ALA A 1 17 ? 6.451 19.454 10.729 1.00 0.00 ? 17 ALA A HB2 14 ATOM 7572 H HB3 . ALA A 1 17 ? 6.244 17.683 10.563 1.00 0.00 ? 17 ALA A HB3 14 ATOM 7573 N N . LYS A 1 18 ? 7.015 19.382 14.505 1.00 0.00 ? 18 LYS A N 14 ATOM 7574 C CA . LYS A 1 18 ? 6.948 20.513 15.425 1.00 0.00 ? 18 LYS A CA 14 ATOM 7575 C C . LYS A 1 18 ? 8.213 20.636 16.232 1.00 0.00 ? 18 LYS A C 14 ATOM 7576 O O . LYS A 1 18 ? 8.598 21.716 16.677 1.00 0.00 ? 18 LYS A O 14 ATOM 7577 C CB . LYS A 1 18 ? 5.739 20.413 16.391 1.00 0.00 ? 18 LYS A CB 14 ATOM 7578 C CG . LYS A 1 18 ? 4.418 20.409 15.626 1.00 0.00 ? 18 LYS A CG 14 ATOM 7579 C CD . LYS A 1 18 ? 3.178 20.332 16.516 1.00 0.00 ? 18 LYS A CD 14 ATOM 7580 C CE . LYS A 1 18 ? 1.881 20.448 15.709 1.00 0.00 ? 18 LYS A CE 14 ATOM 7581 N NZ . LYS A 1 18 ? 0.703 20.013 16.490 1.00 0.00 ? 18 LYS A NZ 14 ATOM 7582 H H . LYS A 1 18 ? 6.640 18.523 14.845 1.00 0.00 ? 18 LYS A H 14 ATOM 7583 H HA . LYS A 1 18 ? 6.845 21.434 14.864 1.00 0.00 ? 18 LYS A HA 14 ATOM 7584 H HB2 . LYS A 1 18 ? 5.790 19.476 16.993 1.00 0.00 ? 18 LYS A HB2 14 ATOM 7585 H HB3 . LYS A 1 18 ? 5.722 21.276 17.103 1.00 0.00 ? 18 LYS A HB3 14 ATOM 7586 H HG2 . LYS A 1 18 ? 4.375 21.333 15.011 1.00 0.00 ? 18 LYS A HG2 14 ATOM 7587 H HG3 . LYS A 1 18 ? 4.397 19.539 14.930 1.00 0.00 ? 18 LYS A HG3 14 ATOM 7588 H HD2 . LYS A 1 18 ? 3.222 19.364 17.062 1.00 0.00 ? 18 LYS A HD2 14 ATOM 7589 H HD3 . LYS A 1 18 ? 3.202 21.160 17.259 1.00 0.00 ? 18 LYS A HD3 14 ATOM 7590 H HE2 . LYS A 1 18 ? 1.702 21.503 15.411 1.00 0.00 ? 18 LYS A HE2 14 ATOM 7591 H HE3 . LYS A 1 18 ? 1.931 19.826 14.788 1.00 0.00 ? 18 LYS A HE3 14 ATOM 7592 H HZ1 . LYS A 1 18 ? 0.949 19.728 17.460 1.00 0.00 ? 18 LYS A HZ1 14 ATOM 7593 H HZ2 . LYS A 1 18 ? -0.029 20.749 16.501 1.00 0.00 ? 18 LYS A HZ2 14 ATOM 7594 H HZ3 . LYS A 1 18 ? 0.247 19.182 15.964 1.00 0.00 ? 18 LYS A HZ3 14 ATOM 7595 N N . ASP A 1 19 ? 8.950 19.505 16.396 1.00 0.00 ? 19 ASP A N 14 ATOM 7596 C CA . ASP A 1 19 ? 10.117 19.361 17.269 1.00 0.00 ? 19 ASP A CA 14 ATOM 7597 C C . ASP A 1 19 ? 11.424 19.908 16.683 1.00 0.00 ? 19 ASP A C 14 ATOM 7598 O O . ASP A 1 19 ? 12.520 19.713 17.200 1.00 0.00 ? 19 ASP A O 14 ATOM 7599 C CB . ASP A 1 19 ? 10.267 17.887 17.755 1.00 0.00 ? 19 ASP A CB 14 ATOM 7600 C CG . ASP A 1 19 ? 10.484 17.865 19.264 1.00 0.00 ? 19 ASP A CG 14 ATOM 7601 O OD1 . ASP A 1 19 ? 9.546 18.326 19.978 1.00 0.00 ? 19 ASP A OD1 14 ATOM 7602 O OD2 . ASP A 1 19 ? 11.552 17.383 19.717 1.00 0.00 ? 19 ASP A OD2 14 ATOM 7603 H H . ASP A 1 19 ? 8.619 18.646 16.011 1.00 0.00 ? 19 ASP A H 14 ATOM 7604 H HA . ASP A 1 19 ? 9.920 19.968 18.137 1.00 0.00 ? 19 ASP A HA 14 ATOM 7605 H HB2 . ASP A 1 19 ? 9.307 17.351 17.610 1.00 0.00 ? 19 ASP A HB2 14 ATOM 7606 H HB3 . ASP A 1 19 ? 11.051 17.311 17.211 1.00 0.00 ? 19 ASP A HB3 14 ATOM 7607 N N . ALA A 1 20 ? 11.280 20.675 15.573 1.00 0.00 ? 20 ALA A N 14 ATOM 7608 C CA . ALA A 1 20 ? 12.251 21.551 14.943 1.00 0.00 ? 20 ALA A CA 14 ATOM 7609 C C . ALA A 1 20 ? 12.161 22.962 15.494 1.00 0.00 ? 20 ALA A C 14 ATOM 7610 O O . ALA A 1 20 ? 13.164 23.668 15.562 1.00 0.00 ? 20 ALA A O 14 ATOM 7611 C CB . ALA A 1 20 ? 12.037 21.588 13.411 1.00 0.00 ? 20 ALA A CB 14 ATOM 7612 H H . ALA A 1 20 ? 10.369 20.694 15.163 1.00 0.00 ? 20 ALA A H 14 ATOM 7613 H HA . ALA A 1 20 ? 13.244 21.186 15.152 1.00 0.00 ? 20 ALA A HA 14 ATOM 7614 H HB1 . ALA A 1 20 ? 12.082 20.544 13.040 1.00 0.00 ? 20 ALA A HB1 14 ATOM 7615 H HB2 . ALA A 1 20 ? 11.040 22.002 13.131 1.00 0.00 ? 20 ALA A HB2 14 ATOM 7616 H HB3 . ALA A 1 20 ? 12.821 22.176 12.885 1.00 0.00 ? 20 ALA A HB3 14 ATOM 7617 N N . GLU A 1 21 ? 10.933 23.384 15.926 1.00 0.00 ? 21 GLU A N 14 ATOM 7618 C CA . GLU A 1 21 ? 10.628 24.649 16.575 1.00 0.00 ? 21 GLU A CA 14 ATOM 7619 C C . GLU A 1 21 ? 10.755 24.469 18.070 1.00 0.00 ? 21 GLU A C 14 ATOM 7620 O O . GLU A 1 21 ? 11.224 25.361 18.781 1.00 0.00 ? 21 GLU A O 14 ATOM 7621 C CB . GLU A 1 21 ? 9.197 25.190 16.253 1.00 0.00 ? 21 GLU A CB 14 ATOM 7622 C CG . GLU A 1 21 ? 8.950 25.510 14.758 1.00 0.00 ? 21 GLU A CG 14 ATOM 7623 C CD . GLU A 1 21 ? 9.841 26.673 14.326 1.00 0.00 ? 21 GLU A CD 14 ATOM 7624 O OE1 . GLU A 1 21 ? 9.532 27.838 14.688 1.00 0.00 ? 21 GLU A OE1 14 ATOM 7625 O OE2 . GLU A 1 21 ? 10.840 26.405 13.614 1.00 0.00 ? 21 GLU A OE2 14 ATOM 7626 H H . GLU A 1 21 ? 10.139 22.774 15.870 1.00 0.00 ? 21 GLU A H 14 ATOM 7627 H HA . GLU A 1 21 ? 11.352 25.397 16.272 1.00 0.00 ? 21 GLU A HA 14 ATOM 7628 H HB2 . GLU A 1 21 ? 8.414 24.455 16.554 1.00 0.00 ? 21 GLU A HB2 14 ATOM 7629 H HB3 . GLU A 1 21 ? 9.009 26.142 16.804 1.00 0.00 ? 21 GLU A HB3 14 ATOM 7630 H HG2 . GLU A 1 21 ? 9.148 24.620 14.122 1.00 0.00 ? 21 GLU A HG2 14 ATOM 7631 H HG3 . GLU A 1 21 ? 7.891 25.817 14.611 1.00 0.00 ? 21 GLU A HG3 14 ATOM 7632 N N . ASN A 1 22 ? 10.403 23.249 18.587 1.00 0.00 ? 22 ASN A N 14 ATOM 7633 C CA . ASN A 1 22 ? 10.402 22.907 20.017 1.00 0.00 ? 22 ASN A CA 14 ATOM 7634 C C . ASN A 1 22 ? 11.789 22.726 20.605 1.00 0.00 ? 22 ASN A C 14 ATOM 7635 O O . ASN A 1 22 ? 11.944 22.604 21.808 1.00 0.00 ? 22 ASN A O 14 ATOM 7636 C CB . ASN A 1 22 ? 9.656 21.603 20.448 1.00 0.00 ? 22 ASN A CB 14 ATOM 7637 C CG . ASN A 1 22 ? 8.215 21.506 20.002 1.00 0.00 ? 22 ASN A CG 14 ATOM 7638 O OD1 . ASN A 1 22 ? 7.510 22.463 19.685 1.00 0.00 ? 22 ASN A OD1 14 ATOM 7639 N ND2 . ASN A 1 22 ? 7.706 20.251 20.004 1.00 0.00 ? 22 ASN A ND2 14 ATOM 7640 H H . ASN A 1 22 ? 10.011 22.559 17.984 1.00 0.00 ? 22 ASN A H 14 ATOM 7641 H HA . ASN A 1 22 ? 9.931 23.726 20.538 1.00 0.00 ? 22 ASN A HA 14 ATOM 7642 H HB2 . ASN A 1 22 ? 10.191 20.694 20.097 1.00 0.00 ? 22 ASN A HB2 14 ATOM 7643 H HB3 . ASN A 1 22 ? 9.593 21.554 21.563 1.00 0.00 ? 22 ASN A HB3 14 ATOM 7644 H HD21 . ASN A 1 22 ? 8.366 19.458 20.043 1.00 0.00 ? 22 ASN A HD21 14 ATOM 7645 H HD22 . ASN A 1 22 ? 6.727 20.128 19.875 1.00 0.00 ? 22 ASN A HD22 14 ATOM 7646 N N . ALA A 1 23 ? 12.855 22.771 19.770 1.00 0.00 ? 23 ALA A N 14 ATOM 7647 C CA . ALA A 1 23 ? 14.237 22.635 20.206 1.00 0.00 ? 23 ALA A CA 14 ATOM 7648 C C . ALA A 1 23 ? 14.768 23.895 20.874 1.00 0.00 ? 23 ALA A C 14 ATOM 7649 O O . ALA A 1 23 ? 15.613 23.817 21.759 1.00 0.00 ? 23 ALA A O 14 ATOM 7650 C CB . ALA A 1 23 ? 15.169 22.206 19.044 1.00 0.00 ? 23 ALA A CB 14 ATOM 7651 H H . ALA A 1 23 ? 12.703 22.877 18.788 1.00 0.00 ? 23 ALA A H 14 ATOM 7652 H HA . ALA A 1 23 ? 14.276 21.847 20.950 1.00 0.00 ? 23 ALA A HA 14 ATOM 7653 H HB1 . ALA A 1 23 ? 14.791 21.247 18.621 1.00 0.00 ? 23 ALA A HB1 14 ATOM 7654 H HB2 . ALA A 1 23 ? 15.195 22.952 18.219 1.00 0.00 ? 23 ALA A HB2 14 ATOM 7655 H HB3 . ALA A 1 23 ? 16.209 22.023 19.403 1.00 0.00 ? 23 ALA A HB3 14 ATOM 7656 N N . SER A 1 24 ? 14.261 25.099 20.478 1.00 0.00 ? 24 SER A N 14 ATOM 7657 C CA . SER A 1 24 ? 14.438 26.362 21.210 1.00 0.00 ? 24 SER A CA 14 ATOM 7658 C C . SER A 1 24 ? 13.298 26.587 22.182 1.00 0.00 ? 24 SER A C 14 ATOM 7659 O O . SER A 1 24 ? 13.465 27.243 23.204 1.00 0.00 ? 24 SER A O 14 ATOM 7660 C CB . SER A 1 24 ? 14.667 27.596 20.259 1.00 0.00 ? 24 SER A CB 14 ATOM 7661 O OG . SER A 1 24 ? 15.135 28.774 20.919 1.00 0.00 ? 24 SER A OG 14 ATOM 7662 H H . SER A 1 24 ? 13.622 25.119 19.708 1.00 0.00 ? 24 SER A H 14 ATOM 7663 H HA . SER A 1 24 ? 15.299 26.269 21.866 1.00 0.00 ? 24 SER A HA 14 ATOM 7664 H HB2 . SER A 1 24 ? 15.434 27.309 19.503 1.00 0.00 ? 24 SER A HB2 14 ATOM 7665 H HB3 . SER A 1 24 ? 13.738 27.846 19.702 1.00 0.00 ? 24 SER A HB3 14 ATOM 7666 H HG . SER A 1 24 ? 15.970 28.560 21.343 1.00 0.00 ? 24 SER A HG 14 ATOM 7667 N N . LYS A 1 25 ? 12.104 26.012 21.897 1.00 0.00 ? 25 LYS A N 14 ATOM 7668 C CA . LYS A 1 25 ? 10.880 26.158 22.678 1.00 0.00 ? 25 LYS A CA 14 ATOM 7669 C C . LYS A 1 25 ? 10.743 25.119 23.772 1.00 0.00 ? 25 LYS A C 14 ATOM 7670 O O . LYS A 1 25 ? 9.664 24.872 24.302 1.00 0.00 ? 25 LYS A O 14 ATOM 7671 C CB . LYS A 1 25 ? 9.632 26.190 21.744 1.00 0.00 ? 25 LYS A CB 14 ATOM 7672 C CG . LYS A 1 25 ? 8.665 27.337 22.024 1.00 0.00 ? 25 LYS A CG 14 ATOM 7673 C CD . LYS A 1 25 ? 9.295 28.720 21.815 1.00 0.00 ? 25 LYS A CD 14 ATOM 7674 C CE . LYS A 1 25 ? 8.294 29.878 21.870 1.00 0.00 ? 25 LYS A CE 14 ATOM 7675 N NZ . LYS A 1 25 ? 7.563 29.979 23.159 1.00 0.00 ? 25 LYS A NZ 14 ATOM 7676 H H . LYS A 1 25 ? 11.971 25.527 21.031 1.00 0.00 ? 25 LYS A H 14 ATOM 7677 H HA . LYS A 1 25 ? 10.929 27.102 23.204 1.00 0.00 ? 25 LYS A HA 14 ATOM 7678 H HB2 . LYS A 1 25 ? 9.987 26.383 20.710 1.00 0.00 ? 25 LYS A HB2 14 ATOM 7679 H HB3 . LYS A 1 25 ? 9.060 25.233 21.720 1.00 0.00 ? 25 LYS A HB3 14 ATOM 7680 H HG2 . LYS A 1 25 ? 7.824 27.228 21.309 1.00 0.00 ? 25 LYS A HG2 14 ATOM 7681 H HG3 . LYS A 1 25 ? 8.265 27.212 23.048 1.00 0.00 ? 25 LYS A HG3 14 ATOM 7682 H HD2 . LYS A 1 25 ? 10.122 28.890 22.536 1.00 0.00 ? 25 LYS A HD2 14 ATOM 7683 H HD3 . LYS A 1 25 ? 9.741 28.741 20.794 1.00 0.00 ? 25 LYS A HD3 14 ATOM 7684 H HE2 . LYS A 1 25 ? 8.832 30.837 21.737 1.00 0.00 ? 25 LYS A HE2 14 ATOM 7685 H HE3 . LYS A 1 25 ? 7.544 29.746 21.064 1.00 0.00 ? 25 LYS A HE3 14 ATOM 7686 H HZ1 . LYS A 1 25 ? 8.207 30.072 24.021 1.00 0.00 ? 25 LYS A HZ1 14 ATOM 7687 H HZ2 . LYS A 1 25 ? 6.948 30.812 23.148 1.00 0.00 ? 25 LYS A HZ2 14 ATOM 7688 H HZ3 . LYS A 1 25 ? 6.925 29.124 23.330 1.00 0.00 ? 25 LYS A HZ3 14 ATOM 7689 N N . GLU A 1 26 ? 11.903 24.556 24.203 1.00 0.00 ? 26 GLU A N 14 ATOM 7690 C CA . GLU A 1 26 ? 12.067 23.608 25.294 1.00 0.00 ? 26 GLU A CA 14 ATOM 7691 C C . GLU A 1 26 ? 12.166 24.314 26.636 1.00 0.00 ? 26 GLU A C 14 ATOM 7692 O O . GLU A 1 26 ? 12.083 23.715 27.704 1.00 0.00 ? 26 GLU A O 14 ATOM 7693 C CB . GLU A 1 26 ? 13.313 22.698 25.045 1.00 0.00 ? 26 GLU A CB 14 ATOM 7694 C CG . GLU A 1 26 ? 13.115 21.207 25.408 1.00 0.00 ? 26 GLU A CG 14 ATOM 7695 C CD . GLU A 1 26 ? 12.181 20.515 24.414 1.00 0.00 ? 26 GLU A CD 14 ATOM 7696 O OE1 . GLU A 1 26 ? 10.983 20.899 24.359 1.00 0.00 ? 26 GLU A OE1 14 ATOM 7697 O OE2 . GLU A 1 26 ? 12.661 19.595 23.704 1.00 0.00 ? 26 GLU A OE2 14 ATOM 7698 H H . GLU A 1 26 ? 12.720 24.729 23.665 1.00 0.00 ? 26 GLU A H 14 ATOM 7699 H HA . GLU A 1 26 ? 11.187 22.985 25.326 1.00 0.00 ? 26 GLU A HA 14 ATOM 7700 H HB2 . GLU A 1 26 ? 13.520 22.699 23.949 1.00 0.00 ? 26 GLU A HB2 14 ATOM 7701 H HB3 . GLU A 1 26 ? 14.235 23.074 25.550 1.00 0.00 ? 26 GLU A HB3 14 ATOM 7702 H HG2 . GLU A 1 26 ? 14.098 20.689 25.392 1.00 0.00 ? 26 GLU A HG2 14 ATOM 7703 H HG3 . GLU A 1 26 ? 12.690 21.118 26.425 1.00 0.00 ? 26 GLU A HG3 14 ATOM 7704 N N . ALA A 1 27 ? 12.266 25.677 26.580 1.00 0.00 ? 27 ALA A N 14 ATOM 7705 C CA . ALA A 1 27 ? 12.108 26.637 27.675 1.00 0.00 ? 27 ALA A CA 14 ATOM 7706 C C . ALA A 1 27 ? 10.701 26.684 28.274 1.00 0.00 ? 27 ALA A C 14 ATOM 7707 O O . ALA A 1 27 ? 10.528 26.987 29.458 1.00 0.00 ? 27 ALA A O 14 ATOM 7708 C CB . ALA A 1 27 ? 12.490 28.077 27.224 1.00 0.00 ? 27 ALA A CB 14 ATOM 7709 H H . ALA A 1 27 ? 12.427 26.082 25.673 1.00 0.00 ? 27 ALA A H 14 ATOM 7710 H HA . ALA A 1 27 ? 12.784 26.345 28.468 1.00 0.00 ? 27 ALA A HA 14 ATOM 7711 H HB1 . ALA A 1 27 ? 13.533 28.080 26.840 1.00 0.00 ? 27 ALA A HB1 14 ATOM 7712 H HB2 . ALA A 1 27 ? 11.835 28.432 26.394 1.00 0.00 ? 27 ALA A HB2 14 ATOM 7713 H HB3 . ALA A 1 27 ? 12.447 28.821 28.056 1.00 0.00 ? 27 ALA A HB3 14 ATOM 7714 N N . GLU A 1 28 ? 9.661 26.284 27.462 1.00 0.00 ? 28 GLU A N 14 ATOM 7715 C CA . GLU A 1 28 ? 8.231 26.305 27.784 1.00 0.00 ? 28 GLU A CA 14 ATOM 7716 C C . GLU A 1 28 ? 7.796 25.310 28.847 1.00 0.00 ? 28 GLU A C 14 ATOM 7717 O O . GLU A 1 28 ? 6.669 25.391 29.330 1.00 0.00 ? 28 GLU A O 14 ATOM 7718 C CB . GLU A 1 28 ? 7.263 26.124 26.556 1.00 0.00 ? 28 GLU A CB 14 ATOM 7719 C CG . GLU A 1 28 ? 7.085 27.393 25.695 1.00 0.00 ? 28 GLU A CG 14 ATOM 7720 C CD . GLU A 1 28 ? 6.034 27.196 24.585 1.00 0.00 ? 28 GLU A CD 14 ATOM 7721 O OE1 . GLU A 1 28 ? 5.414 26.104 24.464 1.00 0.00 ? 28 GLU A OE1 14 ATOM 7722 O OE2 . GLU A 1 28 ? 5.909 28.158 23.773 1.00 0.00 ? 28 GLU A OE2 14 ATOM 7723 H H . GLU A 1 28 ? 9.867 25.957 26.536 1.00 0.00 ? 28 GLU A H 14 ATOM 7724 H HA . GLU A 1 28 ? 8.015 27.280 28.191 1.00 0.00 ? 28 GLU A HA 14 ATOM 7725 H HB2 . GLU A 1 28 ? 7.600 25.285 25.907 1.00 0.00 ? 28 GLU A HB2 14 ATOM 7726 H HB3 . GLU A 1 28 ? 6.221 25.885 26.880 1.00 0.00 ? 28 GLU A HB3 14 ATOM 7727 H HG2 . GLU A 1 28 ? 6.762 28.228 26.347 1.00 0.00 ? 28 GLU A HG2 14 ATOM 7728 H HG3 . GLU A 1 28 ? 8.055 27.670 25.229 1.00 0.00 ? 28 GLU A HG3 14 ATOM 7729 N N . GLU A 1 29 ? 8.664 24.347 29.261 1.00 0.00 ? 29 GLU A N 14 ATOM 7730 C CA . GLU A 1 29 ? 8.401 23.479 30.405 1.00 0.00 ? 29 GLU A CA 14 ATOM 7731 C C . GLU A 1 29 ? 8.931 23.990 31.736 1.00 0.00 ? 29 GLU A C 14 ATOM 7732 O O . GLU A 1 29 ? 8.222 23.958 32.741 1.00 0.00 ? 29 GLU A O 14 ATOM 7733 C CB . GLU A 1 29 ? 8.841 22.010 30.181 1.00 0.00 ? 29 GLU A CB 14 ATOM 7734 C CG . GLU A 1 29 ? 8.192 21.010 31.172 1.00 0.00 ? 29 GLU A CG 14 ATOM 7735 C CD . GLU A 1 29 ? 8.763 19.636 30.883 1.00 0.00 ? 29 GLU A CD 14 ATOM 7736 O OE1 . GLU A 1 29 ? 9.872 19.354 31.414 1.00 0.00 ? 29 GLU A OE1 14 ATOM 7737 O OE2 . GLU A 1 29 ? 8.134 18.893 30.084 1.00 0.00 ? 29 GLU A OE2 14 ATOM 7738 H H . GLU A 1 29 ? 9.534 24.259 28.781 1.00 0.00 ? 29 GLU A H 14 ATOM 7739 H HA . GLU A 1 29 ? 7.324 23.468 30.532 1.00 0.00 ? 29 GLU A HA 14 ATOM 7740 H HB2 . GLU A 1 29 ? 8.503 21.693 29.168 1.00 0.00 ? 29 GLU A HB2 14 ATOM 7741 H HB3 . GLU A 1 29 ? 9.952 21.898 30.192 1.00 0.00 ? 29 GLU A HB3 14 ATOM 7742 H HG2 . GLU A 1 29 ? 8.408 21.246 32.236 1.00 0.00 ? 29 GLU A HG2 14 ATOM 7743 H HG3 . GLU A 1 29 ? 7.090 20.990 31.025 1.00 0.00 ? 29 GLU A HG3 14 ATOM 7744 N N . ALA A 1 30 ? 10.210 24.446 31.803 1.00 0.00 ? 30 ALA A N 14 ATOM 7745 C CA . ALA A 1 30 ? 10.892 24.823 33.038 1.00 0.00 ? 30 ALA A CA 14 ATOM 7746 C C . ALA A 1 30 ? 10.702 26.286 33.371 1.00 0.00 ? 30 ALA A C 14 ATOM 7747 O O . ALA A 1 30 ? 10.670 26.660 34.545 1.00 0.00 ? 30 ALA A O 14 ATOM 7748 C CB . ALA A 1 30 ? 12.405 24.495 32.978 1.00 0.00 ? 30 ALA A CB 14 ATOM 7749 H H . ALA A 1 30 ? 10.763 24.481 30.977 1.00 0.00 ? 30 ALA A H 14 ATOM 7750 H HA . ALA A 1 30 ? 10.480 24.257 33.870 1.00 0.00 ? 30 ALA A HA 14 ATOM 7751 H HB1 . ALA A 1 30 ? 12.912 25.011 32.136 1.00 0.00 ? 30 ALA A HB1 14 ATOM 7752 H HB2 . ALA A 1 30 ? 12.922 24.758 33.927 1.00 0.00 ? 30 ALA A HB2 14 ATOM 7753 H HB3 . ALA A 1 30 ? 12.521 23.398 32.833 1.00 0.00 ? 30 ALA A HB3 14 ATOM 7754 N N . ALA A 1 31 ? 10.549 27.147 32.321 1.00 0.00 ? 31 ALA A N 14 ATOM 7755 C CA . ALA A 1 31 ? 10.178 28.556 32.452 1.00 0.00 ? 31 ALA A CA 14 ATOM 7756 C C . ALA A 1 31 ? 8.679 28.737 32.396 1.00 0.00 ? 31 ALA A C 14 ATOM 7757 O O . ALA A 1 31 ? 8.127 29.471 33.213 1.00 0.00 ? 31 ALA A O 14 ATOM 7758 C CB . ALA A 1 31 ? 10.847 29.479 31.405 1.00 0.00 ? 31 ALA A CB 14 ATOM 7759 H H . ALA A 1 31 ? 10.632 26.827 31.370 1.00 0.00 ? 31 ALA A H 14 ATOM 7760 H HA . ALA A 1 31 ? 10.484 28.928 33.422 1.00 0.00 ? 31 ALA A HA 14 ATOM 7761 H HB1 . ALA A 1 31 ? 11.947 29.380 31.482 1.00 0.00 ? 31 ALA A HB1 14 ATOM 7762 H HB2 . ALA A 1 31 ? 10.552 29.236 30.359 1.00 0.00 ? 31 ALA A HB2 14 ATOM 7763 H HB3 . ALA A 1 31 ? 10.598 30.549 31.587 1.00 0.00 ? 31 ALA A HB3 14 ATOM 7764 N N . LYS A 1 32 ? 7.990 28.058 31.434 1.00 0.00 ? 32 LYS A N 14 ATOM 7765 C CA . LYS A 1 32 ? 6.531 28.009 31.288 1.00 0.00 ? 32 LYS A CA 14 ATOM 7766 C C . LYS A 1 32 ? 5.944 29.261 30.685 1.00 0.00 ? 32 LYS A C 14 ATOM 7767 O O . LYS A 1 32 ? 5.104 29.940 31.283 1.00 0.00 ? 32 LYS A O 14 ATOM 7768 C CB . LYS A 1 32 ? 5.732 27.537 32.537 1.00 0.00 ? 32 LYS A CB 14 ATOM 7769 C CG . LYS A 1 32 ? 5.635 26.014 32.638 1.00 0.00 ? 32 LYS A CG 14 ATOM 7770 C CD . LYS A 1 32 ? 5.682 25.528 34.087 1.00 0.00 ? 32 LYS A CD 14 ATOM 7771 C CE . LYS A 1 32 ? 4.424 25.886 34.909 1.00 0.00 ? 32 LYS A CE 14 ATOM 7772 N NZ . LYS A 1 32 ? 4.759 26.032 36.349 1.00 0.00 ? 32 LYS A NZ 14 ATOM 7773 H H . LYS A 1 32 ? 8.500 27.494 30.786 1.00 0.00 ? 32 LYS A H 14 ATOM 7774 H HA . LYS A 1 32 ? 6.343 27.261 30.548 1.00 0.00 ? 32 LYS A HA 14 ATOM 7775 H HB2 . LYS A 1 32 ? 6.217 27.944 33.448 1.00 0.00 ? 32 LYS A HB2 14 ATOM 7776 H HB3 . LYS A 1 32 ? 4.677 27.890 32.552 1.00 0.00 ? 32 LYS A HB3 14 ATOM 7777 H HG2 . LYS A 1 32 ? 4.721 25.668 32.106 1.00 0.00 ? 32 LYS A HG2 14 ATOM 7778 H HG3 . LYS A 1 32 ? 6.506 25.575 32.107 1.00 0.00 ? 32 LYS A HG3 14 ATOM 7779 H HD2 . LYS A 1 32 ? 5.819 24.421 34.068 1.00 0.00 ? 32 LYS A HD2 14 ATOM 7780 H HD3 . LYS A 1 32 ? 6.614 25.964 34.520 1.00 0.00 ? 32 LYS A HD3 14 ATOM 7781 H HE2 . LYS A 1 32 ? 3.985 26.857 34.588 1.00 0.00 ? 32 LYS A HE2 14 ATOM 7782 H HE3 . LYS A 1 32 ? 3.652 25.094 34.789 1.00 0.00 ? 32 LYS A HE3 14 ATOM 7783 H HZ1 . LYS A 1 32 ? 5.398 25.260 36.624 1.00 0.00 ? 32 LYS A HZ1 14 ATOM 7784 H HZ2 . LYS A 1 32 ? 5.243 26.948 36.464 1.00 0.00 ? 32 LYS A HZ2 14 ATOM 7785 H HZ3 . LYS A 1 32 ? 3.906 26.005 36.954 1.00 0.00 ? 32 LYS A HZ3 14 ATOM 7786 N N . GLU A 1 33 ? 6.365 29.551 29.425 1.00 0.00 ? 33 GLU A N 14 ATOM 7787 C CA . GLU A 1 33 ? 6.300 30.881 28.796 1.00 0.00 ? 33 GLU A CA 14 ATOM 7788 C C . GLU A 1 33 ? 4.888 31.300 28.404 1.00 0.00 ? 33 GLU A C 14 ATOM 7789 O O . GLU A 1 33 ? 4.522 32.476 28.411 1.00 0.00 ? 33 GLU A O 14 ATOM 7790 C CB . GLU A 1 33 ? 7.188 30.980 27.515 1.00 0.00 ? 33 GLU A CB 14 ATOM 7791 C CG . GLU A 1 33 ? 8.676 30.578 27.669 1.00 0.00 ? 33 GLU A CG 14 ATOM 7792 C CD . GLU A 1 33 ? 9.393 30.841 26.339 1.00 0.00 ? 33 GLU A CD 14 ATOM 7793 O OE1 . GLU A 1 33 ? 8.877 30.313 25.315 1.00 0.00 ? 33 GLU A OE1 14 ATOM 7794 O OE2 . GLU A 1 33 ? 10.421 31.568 26.302 1.00 0.00 ? 33 GLU A OE2 14 ATOM 7795 H H . GLU A 1 33 ? 6.900 28.844 28.959 1.00 0.00 ? 33 GLU A H 14 ATOM 7796 H HA . GLU A 1 33 ? 6.665 31.603 29.514 1.00 0.00 ? 33 GLU A HA 14 ATOM 7797 H HB2 . GLU A 1 33 ? 6.782 30.337 26.701 1.00 0.00 ? 33 GLU A HB2 14 ATOM 7798 H HB3 . GLU A 1 33 ? 7.177 32.030 27.143 1.00 0.00 ? 33 GLU A HB3 14 ATOM 7799 H HG2 . GLU A 1 33 ? 9.157 31.186 28.460 1.00 0.00 ? 33 GLU A HG2 14 ATOM 7800 H HG3 . GLU A 1 33 ? 8.792 29.503 27.916 1.00 0.00 ? 33 GLU A HG3 14 ATOM 7801 N N . ALA A 1 34 ? 4.061 30.271 28.077 1.00 0.00 ? 34 ALA A N 14 ATOM 7802 C CA . ALA A 1 34 ? 2.683 30.390 27.662 1.00 0.00 ? 34 ALA A CA 14 ATOM 7803 C C . ALA A 1 34 ? 1.731 30.352 28.847 1.00 0.00 ? 34 ALA A C 14 ATOM 7804 O O . ALA A 1 34 ? 0.595 30.797 28.748 1.00 0.00 ? 34 ALA A O 14 ATOM 7805 C CB . ALA A 1 34 ? 2.316 29.253 26.672 1.00 0.00 ? 34 ALA A CB 14 ATOM 7806 H H . ALA A 1 34 ? 4.423 29.344 28.111 1.00 0.00 ? 34 ALA A H 14 ATOM 7807 H HA . ALA A 1 34 ? 2.544 31.333 27.148 1.00 0.00 ? 34 ALA A HA 14 ATOM 7808 H HB1 . ALA A 1 34 ? 2.982 29.302 25.781 1.00 0.00 ? 34 ALA A HB1 14 ATOM 7809 H HB2 . ALA A 1 34 ? 2.433 28.239 27.125 1.00 0.00 ? 34 ALA A HB2 14 ATOM 7810 H HB3 . ALA A 1 34 ? 1.270 29.352 26.305 1.00 0.00 ? 34 ALA A HB3 14 ATOM 7811 N N . VAL A 1 35 ? 2.166 29.795 30.012 1.00 0.00 ? 35 VAL A N 14 ATOM 7812 C CA . VAL A 1 35 ? 1.297 29.502 31.153 1.00 0.00 ? 35 VAL A CA 14 ATOM 7813 C C . VAL A 1 35 ? 1.432 30.601 32.197 1.00 0.00 ? 35 VAL A C 14 ATOM 7814 O O . VAL A 1 35 ? 0.516 30.861 32.971 1.00 0.00 ? 35 VAL A O 14 ATOM 7815 C CB . VAL A 1 35 ? 1.605 28.112 31.733 1.00 0.00 ? 35 VAL A CB 14 ATOM 7816 C CG1 . VAL A 1 35 ? 0.649 27.707 32.886 1.00 0.00 ? 35 VAL A CG1 14 ATOM 7817 C CG2 . VAL A 1 35 ? 1.513 27.065 30.597 1.00 0.00 ? 35 VAL A CG2 14 ATOM 7818 H H . VAL A 1 35 ? 3.110 29.477 30.086 1.00 0.00 ? 35 VAL A H 14 ATOM 7819 H HA . VAL A 1 35 ? 0.260 29.487 30.833 1.00 0.00 ? 35 VAL A HA 14 ATOM 7820 H HB . VAL A 1 35 ? 2.645 28.088 32.129 1.00 0.00 ? 35 VAL A HB 14 ATOM 7821 H HG11 . VAL A 1 35 ? -0.412 27.774 32.560 1.00 0.00 ? 35 VAL A HG11 14 ATOM 7822 H HG12 . VAL A 1 35 ? 0.861 26.660 33.187 1.00 0.00 ? 35 VAL A HG12 14 ATOM 7823 H HG13 . VAL A 1 35 ? 0.789 28.347 33.783 1.00 0.00 ? 35 VAL A HG13 14 ATOM 7824 H HG21 . VAL A 1 35 ? 0.499 27.082 30.144 1.00 0.00 ? 35 VAL A HG21 14 ATOM 7825 H HG22 . VAL A 1 35 ? 2.259 27.253 29.797 1.00 0.00 ? 35 VAL A HG22 14 ATOM 7826 H HG23 . VAL A 1 35 ? 1.702 26.048 30.998 1.00 0.00 ? 35 VAL A HG23 14 ATOM 7827 N N . ASN A 1 36 ? 2.611 31.276 32.223 1.00 0.00 ? 36 ASN A N 14 ATOM 7828 C CA . ASN A 1 36 ? 3.016 32.313 33.166 1.00 0.00 ? 36 ASN A CA 14 ATOM 7829 C C . ASN A 1 36 ? 2.535 33.659 32.646 1.00 0.00 ? 36 ASN A C 14 ATOM 7830 O O . ASN A 1 36 ? 1.537 34.165 33.155 1.00 0.00 ? 36 ASN A O 14 ATOM 7831 C CB . ASN A 1 36 ? 4.574 32.221 33.408 1.00 0.00 ? 36 ASN A CB 14 ATOM 7832 C CG . ASN A 1 36 ? 5.226 33.353 34.219 1.00 0.00 ? 36 ASN A CG 14 ATOM 7833 O OD1 . ASN A 1 36 ? 4.581 34.152 34.891 1.00 0.00 ? 36 ASN A OD1 14 ATOM 7834 N ND2 . ASN A 1 36 ? 6.566 33.487 34.070 1.00 0.00 ? 36 ASN A ND2 14 ATOM 7835 H H . ASN A 1 36 ? 3.307 31.034 31.551 1.00 0.00 ? 36 ASN A H 14 ATOM 7836 H HA . ASN A 1 36 ? 2.518 32.151 34.113 1.00 0.00 ? 36 ASN A HA 14 ATOM 7837 H HB2 . ASN A 1 36 ? 4.788 31.266 33.936 1.00 0.00 ? 36 ASN A HB2 14 ATOM 7838 H HB3 . ASN A 1 36 ? 5.082 32.168 32.419 1.00 0.00 ? 36 ASN A HB3 14 ATOM 7839 H HD21 . ASN A 1 36 ? 7.148 32.703 33.847 1.00 0.00 ? 36 ASN A HD21 14 ATOM 7840 H HD22 . ASN A 1 36 ? 6.944 34.426 33.944 1.00 0.00 ? 36 ASN A HD22 14 ATOM 7841 N N . LEU A 1 37 ? 3.253 34.221 31.628 1.00 0.00 ? 37 LEU A N 14 ATOM 7842 C CA . LEU A 1 37 ? 2.968 35.450 30.893 1.00 0.00 ? 37 LEU A CA 14 ATOM 7843 C C . LEU A 1 37 ? 3.920 36.562 31.320 1.00 0.00 ? 37 LEU A C 14 ATOM 7844 O O . LEU A 1 37 ? 3.960 37.614 30.683 1.00 0.00 ? 37 LEU A O 14 ATOM 7845 C CB . LEU A 1 37 ? 1.456 35.906 30.877 1.00 0.00 ? 37 LEU A CB 14 ATOM 7846 C CG . LEU A 1 37 ? 0.958 36.879 29.775 1.00 0.00 ? 37 LEU A CG 14 ATOM 7847 C CD1 . LEU A 1 37 ? -0.313 36.333 29.102 1.00 0.00 ? 37 LEU A CD1 14 ATOM 7848 C CD2 . LEU A 1 37 ? 0.675 38.312 30.283 1.00 0.00 ? 37 LEU A CD2 14 ATOM 7849 H H . LEU A 1 37 ? 4.044 33.731 31.277 1.00 0.00 ? 37 LEU A H 14 ATOM 7850 H HA . LEU A 1 37 ? 3.220 35.219 29.865 1.00 0.00 ? 37 LEU A HA 14 ATOM 7851 H HB2 . LEU A 1 37 ? 0.889 34.969 30.704 1.00 0.00 ? 37 LEU A HB2 14 ATOM 7852 H HB3 . LEU A 1 37 ? 1.141 36.274 31.878 1.00 0.00 ? 37 LEU A HB3 14 ATOM 7853 H HG . LEU A 1 37 ? 1.749 36.938 28.995 1.00 0.00 ? 37 LEU A HG 14 ATOM 7854 H HD11 . LEU A 1 37 ? -0.127 35.330 28.663 1.00 0.00 ? 37 LEU A HD11 14 ATOM 7855 H HD12 . LEU A 1 37 ? -1.133 36.237 29.850 1.00 0.00 ? 37 LEU A HD12 14 ATOM 7856 H HD13 . LEU A 1 37 ? -0.648 37.018 28.296 1.00 0.00 ? 37 LEU A HD13 14 ATOM 7857 H HD21 . LEU A 1 37 ? -0.083 38.295 31.094 1.00 0.00 ? 37 LEU A HD21 14 ATOM 7858 H HD22 . LEU A 1 37 ? 1.601 38.783 30.673 1.00 0.00 ? 37 LEU A HD22 14 ATOM 7859 H HD23 . LEU A 1 37 ? 0.288 38.940 29.454 1.00 0.00 ? 37 LEU A HD23 14 ATOM 7860 N N . LYS A 1 38 ? 4.708 36.369 32.417 1.00 0.00 ? 38 LYS A N 14 ATOM 7861 C CA . LYS A 1 38 ? 5.552 37.401 33.008 1.00 0.00 ? 38 LYS A CA 14 ATOM 7862 C C . LYS A 1 38 ? 7.073 37.083 32.876 1.00 0.00 ? 38 LYS A C 14 ATOM 7863 O O . LYS A 1 38 ? 7.865 38.033 32.568 1.00 0.00 ? 38 LYS A O 14 ATOM 7864 C CB . LYS A 1 38 ? 5.257 37.610 34.525 1.00 0.00 ? 38 LYS A CB 14 ATOM 7865 C CG . LYS A 1 38 ? 5.323 39.073 35.040 1.00 0.00 ? 38 LYS A CG 14 ATOM 7866 C CD . LYS A 1 38 ? 6.628 39.842 34.742 1.00 0.00 ? 38 LYS A CD 14 ATOM 7867 C CE . LYS A 1 38 ? 6.594 40.676 33.433 1.00 0.00 ? 38 LYS A CE 14 ATOM 7868 N NZ . LYS A 1 38 ? 7.935 40.767 32.793 1.00 0.00 ? 38 LYS A NZ 14 ATOM 7869 O OXT . LYS A 1 38 ? 7.450 35.926 33.196 1.00 0.00 ? 38 LYS A OXT 14 ATOM 7870 H H . LYS A 1 38 ? 4.699 35.504 32.913 1.00 0.00 ? 38 LYS A H 14 ATOM 7871 H HA . LYS A 1 38 ? 5.361 38.327 32.497 1.00 0.00 ? 38 LYS A HA 14 ATOM 7872 H HB2 . LYS A 1 38 ? 4.231 37.241 34.740 1.00 0.00 ? 38 LYS A HB2 14 ATOM 7873 H HB3 . LYS A 1 38 ? 5.940 36.972 35.134 1.00 0.00 ? 38 LYS A HB3 14 ATOM 7874 H HG2 . LYS A 1 38 ? 4.451 39.645 34.660 1.00 0.00 ? 38 LYS A HG2 14 ATOM 7875 H HG3 . LYS A 1 38 ? 5.224 38.998 36.146 1.00 0.00 ? 38 LYS A HG3 14 ATOM 7876 H HD2 . LYS A 1 38 ? 6.859 40.529 35.584 1.00 0.00 ? 38 LYS A HD2 14 ATOM 7877 H HD3 . LYS A 1 38 ? 7.431 39.072 34.726 1.00 0.00 ? 38 LYS A HD3 14 ATOM 7878 H HE2 . LYS A 1 38 ? 5.956 40.196 32.668 1.00 0.00 ? 38 LYS A HE2 14 ATOM 7879 H HE3 . LYS A 1 38 ? 6.197 41.694 33.613 1.00 0.00 ? 38 LYS A HE3 14 ATOM 7880 H HZ1 . LYS A 1 38 ? 8.216 39.752 32.620 1.00 0.00 ? 38 LYS A HZ1 14 ATOM 7881 H HZ2 . LYS A 1 38 ? 7.859 41.263 31.881 1.00 0.00 ? 38 LYS A HZ2 14 ATOM 7882 H HZ3 . LYS A 1 38 ? 8.629 41.246 33.401 1.00 0.00 ? 38 LYS A HZ3 14 ATOM 7883 N N . GLU A 1 1 ? -0.348 10.091 -2.097 1.00 0.00 ? 1 GLU A N 15 ATOM 7884 C CA . GLU A 1 1 ? 0.358 9.238 -3.073 1.00 0.00 ? 1 GLU A CA 15 ATOM 7885 C C . GLU A 1 1 ? -0.548 8.060 -3.237 1.00 0.00 ? 1 GLU A C 15 ATOM 7886 O O . GLU A 1 1 ? -1.763 8.242 -3.203 1.00 0.00 ? 1 GLU A O 15 ATOM 7887 C CB . GLU A 1 1 ? 1.759 8.855 -2.535 1.00 0.00 ? 1 GLU A CB 15 ATOM 7888 C CG . GLU A 1 1 ? 2.559 10.071 -2.034 1.00 0.00 ? 1 GLU A CG 15 ATOM 7889 C CD . GLU A 1 1 ? 3.885 9.549 -1.522 1.00 0.00 ? 1 GLU A CD 15 ATOM 7890 O OE1 . GLU A 1 1 ? 4.679 9.093 -2.384 1.00 0.00 ? 1 GLU A OE1 15 ATOM 7891 O OE2 . GLU A 1 1 ? 4.088 9.554 -0.283 1.00 0.00 ? 1 GLU A OE2 15 ATOM 7892 H H1 . GLU A 1 1 ? -1.347 10.144 -2.387 1.00 0.00 ? 1 GLU A H1 15 ATOM 7893 H H2 . GLU A 1 1 ? -0.287 9.641 -1.161 1.00 0.00 ? 1 GLU A H2 15 ATOM 7894 H H3 . GLU A 1 1 ? 0.077 11.038 -2.066 1.00 0.00 ? 1 GLU A H3 15 ATOM 7895 H HA . GLU A 1 1 ? 0.418 9.782 -4.007 1.00 0.00 ? 1 GLU A HA 15 ATOM 7896 H HB2 . GLU A 1 1 ? 1.699 8.152 -1.671 1.00 0.00 ? 1 GLU A HB2 15 ATOM 7897 H HB3 . GLU A 1 1 ? 2.355 8.367 -3.340 1.00 0.00 ? 1 GLU A HB3 15 ATOM 7898 H HG2 . GLU A 1 1 ? 2.760 10.801 -2.849 1.00 0.00 ? 1 GLU A HG2 15 ATOM 7899 H HG3 . GLU A 1 1 ? 2.068 10.590 -1.185 1.00 0.00 ? 1 GLU A HG3 15 ATOM 7900 N N . ALA A 1 2 ? 0.001 6.829 -3.366 1.00 0.00 ? 2 ALA A N 15 ATOM 7901 C CA . ALA A 1 2 ? -0.796 5.629 -3.468 1.00 0.00 ? 2 ALA A CA 15 ATOM 7902 C C . ALA A 1 2 ? 0.118 4.513 -3.047 1.00 0.00 ? 2 ALA A C 15 ATOM 7903 O O . ALA A 1 2 ? 0.620 3.778 -3.895 1.00 0.00 ? 2 ALA A O 15 ATOM 7904 C CB . ALA A 1 2 ? -1.353 5.368 -4.896 1.00 0.00 ? 2 ALA A CB 15 ATOM 7905 H H . ALA A 1 2 ? 0.988 6.674 -3.365 1.00 0.00 ? 2 ALA A H 15 ATOM 7906 H HA . ALA A 1 2 ? -1.620 5.669 -2.764 1.00 0.00 ? 2 ALA A HA 15 ATOM 7907 H HB1 . ALA A 1 2 ? -0.544 5.293 -5.657 1.00 0.00 ? 2 ALA A HB1 15 ATOM 7908 H HB2 . ALA A 1 2 ? -1.956 4.432 -4.937 1.00 0.00 ? 2 ALA A HB2 15 ATOM 7909 H HB3 . ALA A 1 2 ? -2.021 6.204 -5.196 1.00 0.00 ? 2 ALA A HB3 15 ATOM 7910 N N . TYR A 1 3 ? 0.380 4.421 -1.712 1.00 0.00 ? 3 TYR A N 15 ATOM 7911 C CA . TYR A 1 3 ? 1.164 3.413 -1.004 1.00 0.00 ? 3 TYR A CA 15 ATOM 7912 C C . TYR A 1 3 ? 2.601 3.887 -0.897 1.00 0.00 ? 3 TYR A C 15 ATOM 7913 O O . TYR A 1 3 ? 2.904 4.743 -0.071 1.00 0.00 ? 3 TYR A O 15 ATOM 7914 C CB . TYR A 1 3 ? 0.969 1.934 -1.515 1.00 0.00 ? 3 TYR A CB 15 ATOM 7915 C CG . TYR A 1 3 ? 1.609 0.824 -0.698 1.00 0.00 ? 3 TYR A CG 15 ATOM 7916 C CD1 . TYR A 1 3 ? 1.595 0.789 0.713 1.00 0.00 ? 3 TYR A CD1 15 ATOM 7917 C CD2 . TYR A 1 3 ? 2.195 -0.255 -1.385 1.00 0.00 ? 3 TYR A CD2 15 ATOM 7918 C CE1 . TYR A 1 3 ? 2.166 -0.292 1.414 1.00 0.00 ? 3 TYR A CE1 15 ATOM 7919 C CE2 . TYR A 1 3 ? 2.762 -1.334 -0.698 1.00 0.00 ? 3 TYR A CE2 15 ATOM 7920 C CZ . TYR A 1 3 ? 2.744 -1.360 0.699 1.00 0.00 ? 3 TYR A CZ 15 ATOM 7921 O OH . TYR A 1 3 ? 3.282 -2.494 1.347 1.00 0.00 ? 3 TYR A OH 15 ATOM 7922 H H . TYR A 1 3 ? -0.019 5.104 -1.104 1.00 0.00 ? 3 TYR A H 15 ATOM 7923 H HA . TYR A 1 3 ? 0.775 3.443 0.004 1.00 0.00 ? 3 TYR A HA 15 ATOM 7924 H HB2 . TYR A 1 3 ? -0.122 1.713 -1.518 1.00 0.00 ? 3 TYR A HB2 15 ATOM 7925 H HB3 . TYR A 1 3 ? 1.310 1.829 -2.568 1.00 0.00 ? 3 TYR A HB3 15 ATOM 7926 H HD1 . TYR A 1 3 ? 1.125 1.582 1.276 1.00 0.00 ? 3 TYR A HD1 15 ATOM 7927 H HD2 . TYR A 1 3 ? 2.193 -0.273 -2.464 1.00 0.00 ? 3 TYR A HD2 15 ATOM 7928 H HE1 . TYR A 1 3 ? 2.135 -0.288 2.496 1.00 0.00 ? 3 TYR A HE1 15 ATOM 7929 H HE2 . TYR A 1 3 ? 3.190 -2.157 -1.252 1.00 0.00 ? 3 TYR A HE2 15 ATOM 7930 H HH . TYR A 1 3 ? 3.109 -2.421 2.286 1.00 0.00 ? 3 TYR A HH 15 ATOM 7931 N N . LYS A 1 4 ? 3.507 3.333 -1.747 1.00 0.00 ? 4 LYS A N 15 ATOM 7932 C CA . LYS A 1 4 ? 4.942 3.580 -1.847 1.00 0.00 ? 4 LYS A CA 15 ATOM 7933 C C . LYS A 1 4 ? 5.735 2.908 -0.737 1.00 0.00 ? 4 LYS A C 15 ATOM 7934 O O . LYS A 1 4 ? 6.182 1.774 -0.886 1.00 0.00 ? 4 LYS A O 15 ATOM 7935 C CB . LYS A 1 4 ? 5.374 5.073 -2.049 1.00 0.00 ? 4 LYS A CB 15 ATOM 7936 C CG . LYS A 1 4 ? 4.876 5.719 -3.359 1.00 0.00 ? 4 LYS A CG 15 ATOM 7937 C CD . LYS A 1 4 ? 5.526 5.164 -4.642 1.00 0.00 ? 4 LYS A CD 15 ATOM 7938 C CE . LYS A 1 4 ? 5.152 5.957 -5.912 1.00 0.00 ? 4 LYS A CE 15 ATOM 7939 N NZ . LYS A 1 4 ? 5.706 5.320 -7.143 1.00 0.00 ? 4 LYS A NZ 15 ATOM 7940 H H . LYS A 1 4 ? 3.166 2.673 -2.406 1.00 0.00 ? 4 LYS A H 15 ATOM 7941 H HA . LYS A 1 4 ? 5.241 3.054 -2.742 1.00 0.00 ? 4 LYS A HA 15 ATOM 7942 H HB2 . LYS A 1 4 ? 4.980 5.696 -1.215 1.00 0.00 ? 4 LYS A HB2 15 ATOM 7943 H HB3 . LYS A 1 4 ? 6.483 5.176 -2.046 1.00 0.00 ? 4 LYS A HB3 15 ATOM 7944 H HG2 . LYS A 1 4 ? 3.770 5.626 -3.415 1.00 0.00 ? 4 LYS A HG2 15 ATOM 7945 H HG3 . LYS A 1 4 ? 5.121 6.803 -3.286 1.00 0.00 ? 4 LYS A HG3 15 ATOM 7946 H HD2 . LYS A 1 4 ? 6.631 5.197 -4.514 1.00 0.00 ? 4 LYS A HD2 15 ATOM 7947 H HD3 . LYS A 1 4 ? 5.224 4.101 -4.751 1.00 0.00 ? 4 LYS A HD3 15 ATOM 7948 H HE2 . LYS A 1 4 ? 4.048 5.989 -6.026 1.00 0.00 ? 4 LYS A HE2 15 ATOM 7949 H HE3 . LYS A 1 4 ? 5.543 6.996 -5.851 1.00 0.00 ? 4 LYS A HE3 15 ATOM 7950 H HZ1 . LYS A 1 4 ? 6.745 5.260 -7.103 1.00 0.00 ? 4 LYS A HZ1 15 ATOM 7951 H HZ2 . LYS A 1 4 ? 5.309 4.360 -7.208 1.00 0.00 ? 4 LYS A HZ2 15 ATOM 7952 H HZ3 . LYS A 1 4 ? 5.432 5.861 -7.992 1.00 0.00 ? 4 LYS A HZ3 15 ATOM 7953 N N . LYS A 1 5 ? 5.942 3.616 0.403 1.00 0.00 ? 5 LYS A N 15 ATOM 7954 C CA . LYS A 1 5 ? 6.675 3.151 1.569 1.00 0.00 ? 5 LYS A CA 15 ATOM 7955 C C . LYS A 1 5 ? 5.920 3.687 2.771 1.00 0.00 ? 5 LYS A C 15 ATOM 7956 O O . LYS A 1 5 ? 6.493 4.307 3.668 1.00 0.00 ? 5 LYS A O 15 ATOM 7957 C CB . LYS A 1 5 ? 8.177 3.606 1.629 1.00 0.00 ? 5 LYS A CB 15 ATOM 7958 C CG . LYS A 1 5 ? 9.041 3.078 0.466 1.00 0.00 ? 5 LYS A CG 15 ATOM 7959 C CD . LYS A 1 5 ? 10.498 3.569 0.441 1.00 0.00 ? 5 LYS A CD 15 ATOM 7960 C CE . LYS A 1 5 ? 11.387 2.964 1.539 1.00 0.00 ? 5 LYS A CE 15 ATOM 7961 N NZ . LYS A 1 5 ? 12.809 3.348 1.357 1.00 0.00 ? 5 LYS A NZ 15 ATOM 7962 H H . LYS A 1 5 ? 5.516 4.513 0.500 1.00 0.00 ? 5 LYS A H 15 ATOM 7963 H HA . LYS A 1 5 ? 6.636 2.067 1.620 1.00 0.00 ? 5 LYS A HA 15 ATOM 7964 H HB2 . LYS A 1 5 ? 8.237 4.718 1.612 1.00 0.00 ? 5 LYS A HB2 15 ATOM 7965 H HB3 . LYS A 1 5 ? 8.640 3.251 2.577 1.00 0.00 ? 5 LYS A HB3 15 ATOM 7966 H HG2 . LYS A 1 5 ? 9.006 1.965 0.457 1.00 0.00 ? 5 LYS A HG2 15 ATOM 7967 H HG3 . LYS A 1 5 ? 8.579 3.423 -0.484 1.00 0.00 ? 5 LYS A HG3 15 ATOM 7968 H HD2 . LYS A 1 5 ? 10.897 3.275 -0.555 1.00 0.00 ? 5 LYS A HD2 15 ATOM 7969 H HD3 . LYS A 1 5 ? 10.488 4.679 0.488 1.00 0.00 ? 5 LYS A HD3 15 ATOM 7970 H HE2 . LYS A 1 5 ? 11.065 3.304 2.547 1.00 0.00 ? 5 LYS A HE2 15 ATOM 7971 H HE3 . LYS A 1 5 ? 11.336 1.853 1.499 1.00 0.00 ? 5 LYS A HE3 15 ATOM 7972 H HZ1 . LYS A 1 5 ? 13.143 3.024 0.426 1.00 0.00 ? 5 LYS A HZ1 15 ATOM 7973 H HZ2 . LYS A 1 5 ? 12.937 4.378 1.424 1.00 0.00 ? 5 LYS A HZ2 15 ATOM 7974 H HZ3 . LYS A 1 5 ? 13.379 2.885 2.093 1.00 0.00 ? 5 LYS A HZ3 15 ATOM 7975 N N . ALA A 1 6 ? 4.584 3.434 2.814 1.00 0.00 ? 6 ALA A N 15 ATOM 7976 C CA . ALA A 1 6 ? 3.660 3.841 3.862 1.00 0.00 ? 6 ALA A CA 15 ATOM 7977 C C . ALA A 1 6 ? 3.590 2.768 4.929 1.00 0.00 ? 6 ALA A C 15 ATOM 7978 O O . ALA A 1 6 ? 3.055 1.684 4.700 1.00 0.00 ? 6 ALA A O 15 ATOM 7979 C CB . ALA A 1 6 ? 2.241 4.095 3.292 1.00 0.00 ? 6 ALA A CB 15 ATOM 7980 H H . ALA A 1 6 ? 4.168 2.921 2.070 1.00 0.00 ? 6 ALA A H 15 ATOM 7981 H HA . ALA A 1 6 ? 4.003 4.762 4.312 1.00 0.00 ? 6 ALA A HA 15 ATOM 7982 H HB1 . ALA A 1 6 ? 1.849 3.209 2.747 1.00 0.00 ? 6 ALA A HB1 15 ATOM 7983 H HB2 . ALA A 1 6 ? 1.513 4.365 4.090 1.00 0.00 ? 6 ALA A HB2 15 ATOM 7984 H HB3 . ALA A 1 6 ? 2.284 4.943 2.572 1.00 0.00 ? 6 ALA A HB3 15 ATOM 7985 N N . LYS A 1 7 ? 4.197 3.068 6.109 1.00 0.00 ? 7 LYS A N 15 ATOM 7986 C CA . LYS A 1 7 ? 4.481 2.147 7.196 1.00 0.00 ? 7 LYS A CA 15 ATOM 7987 C C . LYS A 1 7 ? 3.496 2.238 8.340 1.00 0.00 ? 7 LYS A C 15 ATOM 7988 O O . LYS A 1 7 ? 3.621 1.507 9.314 1.00 0.00 ? 7 LYS A O 15 ATOM 7989 C CB . LYS A 1 7 ? 5.920 2.369 7.786 1.00 0.00 ? 7 LYS A CB 15 ATOM 7990 C CG . LYS A 1 7 ? 6.210 3.663 8.602 1.00 0.00 ? 7 LYS A CG 15 ATOM 7991 C CD . LYS A 1 7 ? 6.547 4.952 7.834 1.00 0.00 ? 7 LYS A CD 15 ATOM 7992 C CE . LYS A 1 7 ? 8.027 5.041 7.429 1.00 0.00 ? 7 LYS A CE 15 ATOM 7993 N NZ . LYS A 1 7 ? 8.411 6.437 7.110 1.00 0.00 ? 7 LYS A NZ 15 ATOM 7994 H H . LYS A 1 7 ? 4.531 3.988 6.288 1.00 0.00 ? 7 LYS A H 15 ATOM 7995 H HA . LYS A 1 7 ? 4.435 1.130 6.822 1.00 0.00 ? 7 LYS A HA 15 ATOM 7996 H HB2 . LYS A 1 7 ? 6.134 1.520 8.478 1.00 0.00 ? 7 LYS A HB2 15 ATOM 7997 H HB3 . LYS A 1 7 ? 6.661 2.290 6.964 1.00 0.00 ? 7 LYS A HB3 15 ATOM 7998 H HG2 . LYS A 1 7 ? 5.373 3.896 9.293 1.00 0.00 ? 7 LYS A HG2 15 ATOM 7999 H HG3 . LYS A 1 7 ? 7.074 3.446 9.269 1.00 0.00 ? 7 LYS A HG3 15 ATOM 8000 H HD2 . LYS A 1 7 ? 5.874 5.098 6.962 1.00 0.00 ? 7 LYS A HD2 15 ATOM 8001 H HD3 . LYS A 1 7 ? 6.330 5.766 8.561 1.00 0.00 ? 7 LYS A HD3 15 ATOM 8002 H HE2 . LYS A 1 7 ? 8.661 4.718 8.282 1.00 0.00 ? 7 LYS A HE2 15 ATOM 8003 H HE3 . LYS A 1 7 ? 8.242 4.396 6.549 1.00 0.00 ? 7 LYS A HE3 15 ATOM 8004 H HZ1 . LYS A 1 7 ? 8.137 7.034 7.918 1.00 0.00 ? 7 LYS A HZ1 15 ATOM 8005 H HZ2 . LYS A 1 7 ? 9.440 6.512 6.955 1.00 0.00 ? 7 LYS A HZ2 15 ATOM 8006 H HZ3 . LYS A 1 7 ? 7.901 6.738 6.254 1.00 0.00 ? 7 LYS A HZ3 15 ATOM 8007 N N . GLN A 1 8 ? 2.583 3.225 8.310 1.00 0.00 ? 8 GLN A N 15 ATOM 8008 C CA . GLN A 1 8 ? 1.893 3.733 9.467 1.00 0.00 ? 8 GLN A CA 15 ATOM 8009 C C . GLN A 1 8 ? 1.024 4.712 8.735 1.00 0.00 ? 8 GLN A C 15 ATOM 8010 O O . GLN A 1 8 ? 1.047 4.711 7.500 1.00 0.00 ? 8 GLN A O 15 ATOM 8011 C CB . GLN A 1 8 ? 2.843 4.459 10.492 1.00 0.00 ? 8 GLN A CB 15 ATOM 8012 C CG . GLN A 1 8 ? 2.294 4.673 11.921 1.00 0.00 ? 8 GLN A CG 15 ATOM 8013 C CD . GLN A 1 8 ? 2.959 3.721 12.913 1.00 0.00 ? 8 GLN A CD 15 ATOM 8014 O OE1 . GLN A 1 8 ? 2.393 2.688 13.262 1.00 0.00 ? 8 GLN A OE1 15 ATOM 8015 N NE2 . GLN A 1 8 ? 4.189 4.054 13.383 1.00 0.00 ? 8 GLN A NE2 15 ATOM 8016 H H . GLN A 1 8 ? 2.306 3.732 7.480 1.00 0.00 ? 8 GLN A H 15 ATOM 8017 H HA . GLN A 1 8 ? 1.295 2.952 9.923 1.00 0.00 ? 8 GLN A HA 15 ATOM 8018 H HB2 . GLN A 1 8 ? 3.756 3.834 10.607 1.00 0.00 ? 8 GLN A HB2 15 ATOM 8019 H HB3 . GLN A 1 8 ? 3.212 5.434 10.092 1.00 0.00 ? 8 GLN A HB3 15 ATOM 8020 H HG2 . GLN A 1 8 ? 2.529 5.715 12.228 1.00 0.00 ? 8 GLN A HG2 15 ATOM 8021 H HG3 . GLN A 1 8 ? 1.197 4.517 11.998 1.00 0.00 ? 8 GLN A HG3 15 ATOM 8022 H HE21 . GLN A 1 8 ? 4.578 4.987 13.165 1.00 0.00 ? 8 GLN A HE21 15 ATOM 8023 H HE22 . GLN A 1 8 ? 4.655 3.435 14.013 1.00 0.00 ? 8 GLN A HE22 15 ATOM 8024 N N . ALA A 1 9 ? 0.326 5.630 9.445 1.00 0.00 ? 9 ALA A N 15 ATOM 8025 C CA . ALA A 1 9 ? -0.325 6.790 8.870 1.00 0.00 ? 9 ALA A CA 15 ATOM 8026 C C . ALA A 1 9 ? 0.573 7.985 9.114 1.00 0.00 ? 9 ALA A C 15 ATOM 8027 O O . ALA A 1 9 ? 1.736 7.854 9.499 1.00 0.00 ? 9 ALA A O 15 ATOM 8028 C CB . ALA A 1 9 ? -1.731 7.032 9.483 1.00 0.00 ? 9 ALA A CB 15 ATOM 8029 H H . ALA A 1 9 ? 0.354 5.626 10.439 1.00 0.00 ? 9 ALA A H 15 ATOM 8030 H HA . ALA A 1 9 ? -0.435 6.669 7.800 1.00 0.00 ? 9 ALA A HA 15 ATOM 8031 H HB1 . ALA A 1 9 ? -2.341 6.115 9.338 1.00 0.00 ? 9 ALA A HB1 15 ATOM 8032 H HB2 . ALA A 1 9 ? -1.689 7.242 10.577 1.00 0.00 ? 9 ALA A HB2 15 ATOM 8033 H HB3 . ALA A 1 9 ? -2.283 7.858 8.983 1.00 0.00 ? 9 ALA A HB3 15 ATOM 8034 N N . SER A 1 10 ? 0.034 9.204 8.923 1.00 0.00 ? 10 SER A N 15 ATOM 8035 C CA . SER A 1 10 ? 0.779 10.460 8.868 1.00 0.00 ? 10 SER A CA 15 ATOM 8036 C C . SER A 1 10 ? 0.785 11.169 10.204 1.00 0.00 ? 10 SER A C 15 ATOM 8037 O O . SER A 1 10 ? 0.711 12.390 10.268 1.00 0.00 ? 10 SER A O 15 ATOM 8038 C CB . SER A 1 10 ? 0.249 11.417 7.761 1.00 0.00 ? 10 SER A CB 15 ATOM 8039 O OG . SER A 1 10 ? 0.205 10.738 6.508 1.00 0.00 ? 10 SER A OG 15 ATOM 8040 H H . SER A 1 10 ? -0.935 9.276 8.708 1.00 0.00 ? 10 SER A H 15 ATOM 8041 H HA . SER A 1 10 ? 1.815 10.248 8.639 1.00 0.00 ? 10 SER A HA 15 ATOM 8042 H HB2 . SER A 1 10 ? -0.778 11.786 7.993 1.00 0.00 ? 10 SER A HB2 15 ATOM 8043 H HB3 . SER A 1 10 ? 0.918 12.304 7.654 1.00 0.00 ? 10 SER A HB3 15 ATOM 8044 H HG . SER A 1 10 ? 0.010 11.406 5.837 1.00 0.00 ? 10 SER A HG 15 ATOM 8045 N N . GLN A 1 11 ? 0.950 10.347 11.278 1.00 0.00 ? 11 GLN A N 15 ATOM 8046 C CA . GLN A 1 11 ? 1.050 10.654 12.699 1.00 0.00 ? 11 GLN A CA 15 ATOM 8047 C C . GLN A 1 11 ? 2.502 10.913 13.067 1.00 0.00 ? 11 GLN A C 15 ATOM 8048 O O . GLN A 1 11 ? 2.842 11.767 13.886 1.00 0.00 ? 11 GLN A O 15 ATOM 8049 C CB . GLN A 1 11 ? 0.535 9.436 13.539 1.00 0.00 ? 11 GLN A CB 15 ATOM 8050 C CG . GLN A 1 11 ? 1.067 8.047 13.078 1.00 0.00 ? 11 GLN A CG 15 ATOM 8051 C CD . GLN A 1 11 ? 0.683 6.933 14.040 1.00 0.00 ? 11 GLN A CD 15 ATOM 8052 O OE1 . GLN A 1 11 ? -0.115 6.080 13.667 1.00 0.00 ? 11 GLN A OE1 15 ATOM 8053 N NE2 . GLN A 1 11 ? 1.276 6.897 15.257 1.00 0.00 ? 11 GLN A NE2 15 ATOM 8054 H H . GLN A 1 11 ? 0.978 9.371 11.076 1.00 0.00 ? 11 GLN A H 15 ATOM 8055 H HA . GLN A 1 11 ? 0.473 11.545 12.927 1.00 0.00 ? 11 GLN A HA 15 ATOM 8056 H HB2 . GLN A 1 11 ? 0.726 9.598 14.625 1.00 0.00 ? 11 GLN A HB2 15 ATOM 8057 H HB3 . GLN A 1 11 ? -0.568 9.392 13.412 1.00 0.00 ? 11 GLN A HB3 15 ATOM 8058 H HG2 . GLN A 1 11 ? 0.630 7.775 12.096 1.00 0.00 ? 11 GLN A HG2 15 ATOM 8059 H HG3 . GLN A 1 11 ? 2.174 8.014 12.983 1.00 0.00 ? 11 GLN A HG3 15 ATOM 8060 H HE21 . GLN A 1 11 ? 1.974 7.586 15.477 1.00 0.00 ? 11 GLN A HE21 15 ATOM 8061 H HE22 . GLN A 1 11 ? 1.049 6.163 15.897 1.00 0.00 ? 11 GLN A HE22 15 ATOM 8062 N N . ASP A 1 12 ? 3.414 10.192 12.353 1.00 0.00 ? 12 ASP A N 15 ATOM 8063 C CA . ASP A 1 12 ? 4.858 10.144 12.541 1.00 0.00 ? 12 ASP A CA 15 ATOM 8064 C C . ASP A 1 12 ? 5.513 11.175 11.654 1.00 0.00 ? 12 ASP A C 15 ATOM 8065 O O . ASP A 1 12 ? 6.733 11.265 11.554 1.00 0.00 ? 12 ASP A O 15 ATOM 8066 C CB . ASP A 1 12 ? 5.453 8.746 12.172 1.00 0.00 ? 12 ASP A CB 15 ATOM 8067 C CG . ASP A 1 12 ? 5.099 7.679 13.209 1.00 0.00 ? 12 ASP A CG 15 ATOM 8068 O OD1 . ASP A 1 12 ? 4.833 8.049 14.383 1.00 0.00 ? 12 ASP A OD1 15 ATOM 8069 O OD2 . ASP A 1 12 ? 5.089 6.479 12.826 1.00 0.00 ? 12 ASP A OD2 15 ATOM 8070 H H . ASP A 1 12 ? 3.082 9.524 11.691 1.00 0.00 ? 12 ASP A H 15 ATOM 8071 H HA . ASP A 1 12 ? 5.101 10.389 13.568 1.00 0.00 ? 12 ASP A HA 15 ATOM 8072 H HB2 . ASP A 1 12 ? 5.076 8.419 11.178 1.00 0.00 ? 12 ASP A HB2 15 ATOM 8073 H HB3 . ASP A 1 12 ? 6.565 8.771 12.126 1.00 0.00 ? 12 ASP A HB3 15 ATOM 8074 N N . ALA A 1 13 ? 4.665 12.011 11.014 1.00 0.00 ? 13 ALA A N 15 ATOM 8075 C CA . ALA A 1 13 ? 5.010 13.207 10.285 1.00 0.00 ? 13 ALA A CA 15 ATOM 8076 C C . ALA A 1 13 ? 4.358 14.391 10.967 1.00 0.00 ? 13 ALA A C 15 ATOM 8077 O O . ALA A 1 13 ? 4.669 15.527 10.629 1.00 0.00 ? 13 ALA A O 15 ATOM 8078 C CB . ALA A 1 13 ? 4.580 13.151 8.793 1.00 0.00 ? 13 ALA A CB 15 ATOM 8079 H H . ALA A 1 13 ? 3.692 11.810 11.093 1.00 0.00 ? 13 ALA A H 15 ATOM 8080 H HA . ALA A 1 13 ? 6.080 13.370 10.324 1.00 0.00 ? 13 ALA A HA 15 ATOM 8081 H HB1 . ALA A 1 13 ? 5.030 12.245 8.335 1.00 0.00 ? 13 ALA A HB1 15 ATOM 8082 H HB2 . ALA A 1 13 ? 3.474 13.084 8.670 1.00 0.00 ? 13 ALA A HB2 15 ATOM 8083 H HB3 . ALA A 1 13 ? 4.947 14.033 8.223 1.00 0.00 ? 13 ALA A HB3 15 ATOM 8084 N N . GLU A 1 14 ? 3.444 14.168 11.964 1.00 0.00 ? 14 GLU A N 15 ATOM 8085 C CA . GLU A 1 14 ? 2.859 15.232 12.789 1.00 0.00 ? 14 GLU A CA 15 ATOM 8086 C C . GLU A 1 14 ? 3.708 15.437 14.022 1.00 0.00 ? 14 GLU A C 15 ATOM 8087 O O . GLU A 1 14 ? 3.934 16.559 14.463 1.00 0.00 ? 14 GLU A O 15 ATOM 8088 C CB . GLU A 1 14 ? 1.397 14.979 13.260 1.00 0.00 ? 14 GLU A CB 15 ATOM 8089 C CG . GLU A 1 14 ? 0.309 15.166 12.179 1.00 0.00 ? 14 GLU A CG 15 ATOM 8090 C CD . GLU A 1 14 ? -1.040 14.855 12.823 1.00 0.00 ? 14 GLU A CD 15 ATOM 8091 O OE1 . GLU A 1 14 ? -1.062 13.831 13.559 1.00 0.00 ? 14 GLU A OE1 15 ATOM 8092 O OE2 . GLU A 1 14 ? -2.012 15.636 12.641 1.00 0.00 ? 14 GLU A OE2 15 ATOM 8093 H H . GLU A 1 14 ? 3.215 13.240 12.255 1.00 0.00 ? 14 GLU A H 15 ATOM 8094 H HA . GLU A 1 14 ? 2.861 16.167 12.240 1.00 0.00 ? 14 GLU A HA 15 ATOM 8095 H HB2 . GLU A 1 14 ? 1.312 13.953 13.687 1.00 0.00 ? 14 GLU A HB2 15 ATOM 8096 H HB3 . GLU A 1 14 ? 1.093 15.699 14.058 1.00 0.00 ? 14 GLU A HB3 15 ATOM 8097 H HG2 . GLU A 1 14 ? 0.310 16.206 11.790 1.00 0.00 ? 14 GLU A HG2 15 ATOM 8098 H HG3 . GLU A 1 14 ? 0.474 14.470 11.331 1.00 0.00 ? 14 GLU A HG3 15 ATOM 8099 N N . GLN A 1 15 ? 4.217 14.325 14.616 1.00 0.00 ? 15 GLN A N 15 ATOM 8100 C CA . GLN A 1 15 ? 4.974 14.307 15.854 1.00 0.00 ? 15 GLN A CA 15 ATOM 8101 C C . GLN A 1 15 ? 6.400 14.794 15.641 1.00 0.00 ? 15 GLN A C 15 ATOM 8102 O O . GLN A 1 15 ? 6.901 15.661 16.353 1.00 0.00 ? 15 GLN A O 15 ATOM 8103 C CB . GLN A 1 15 ? 4.946 12.873 16.446 1.00 0.00 ? 15 GLN A CB 15 ATOM 8104 C CG . GLN A 1 15 ? 5.166 12.797 17.962 1.00 0.00 ? 15 GLN A CG 15 ATOM 8105 C CD . GLN A 1 15 ? 6.632 13.000 18.290 1.00 0.00 ? 15 GLN A CD 15 ATOM 8106 O OE1 . GLN A 1 15 ? 7.493 12.576 17.523 1.00 0.00 ? 15 GLN A OE1 15 ATOM 8107 N NE2 . GLN A 1 15 ? 6.909 13.725 19.396 1.00 0.00 ? 15 GLN A NE2 15 ATOM 8108 H H . GLN A 1 15 ? 3.964 13.419 14.271 1.00 0.00 ? 15 GLN A H 15 ATOM 8109 H HA . GLN A 1 15 ? 4.483 14.972 16.554 1.00 0.00 ? 15 GLN A HA 15 ATOM 8110 H HB2 . GLN A 1 15 ? 3.922 12.472 16.285 1.00 0.00 ? 15 GLN A HB2 15 ATOM 8111 H HB3 . GLN A 1 15 ? 5.641 12.180 15.921 1.00 0.00 ? 15 GLN A HB3 15 ATOM 8112 H HG2 . GLN A 1 15 ? 4.527 13.565 18.447 1.00 0.00 ? 15 GLN A HG2 15 ATOM 8113 H HG3 . GLN A 1 15 ? 4.881 11.793 18.323 1.00 0.00 ? 15 GLN A HG3 15 ATOM 8114 H HE21 . GLN A 1 15 ? 6.186 13.980 20.030 1.00 0.00 ? 15 GLN A HE21 15 ATOM 8115 H HE22 . GLN A 1 15 ? 7.754 14.315 19.374 1.00 0.00 ? 15 GLN A HE22 15 ATOM 8116 N N . ALA A 1 16 ? 7.038 14.298 14.550 1.00 0.00 ? 16 ALA A N 15 ATOM 8117 C CA . ALA A 1 16 ? 8.399 14.632 14.139 1.00 0.00 ? 16 ALA A CA 15 ATOM 8118 C C . ALA A 1 16 ? 8.453 15.905 13.300 1.00 0.00 ? 16 ALA A C 15 ATOM 8119 O O . ALA A 1 16 ? 9.500 16.317 12.803 1.00 0.00 ? 16 ALA A O 15 ATOM 8120 C CB . ALA A 1 16 ? 9.029 13.459 13.351 1.00 0.00 ? 16 ALA A CB 15 ATOM 8121 H H . ALA A 1 16 ? 6.589 13.591 14.014 1.00 0.00 ? 16 ALA A H 15 ATOM 8122 H HA . ALA A 1 16 ? 9.005 14.796 15.024 1.00 0.00 ? 16 ALA A HA 15 ATOM 8123 H HB1 . ALA A 1 16 ? 8.439 13.201 12.443 1.00 0.00 ? 16 ALA A HB1 15 ATOM 8124 H HB2 . ALA A 1 16 ? 10.078 13.672 13.042 1.00 0.00 ? 16 ALA A HB2 15 ATOM 8125 H HB3 . ALA A 1 16 ? 9.056 12.555 13.997 1.00 0.00 ? 16 ALA A HB3 15 ATOM 8126 N N . ALA A 1 17 ? 7.277 16.569 13.157 1.00 0.00 ? 17 ALA A N 15 ATOM 8127 C CA . ALA A 1 17 ? 7.095 17.964 12.784 1.00 0.00 ? 17 ALA A CA 15 ATOM 8128 C C . ALA A 1 17 ? 7.036 18.873 13.997 1.00 0.00 ? 17 ALA A C 15 ATOM 8129 O O . ALA A 1 17 ? 7.269 20.073 13.875 1.00 0.00 ? 17 ALA A O 15 ATOM 8130 C CB . ALA A 1 17 ? 5.825 18.219 11.937 1.00 0.00 ? 17 ALA A CB 15 ATOM 8131 H H . ALA A 1 17 ? 6.467 16.154 13.561 1.00 0.00 ? 17 ALA A H 15 ATOM 8132 H HA . ALA A 1 17 ? 7.944 18.282 12.192 1.00 0.00 ? 17 ALA A HA 15 ATOM 8133 H HB1 . ALA A 1 17 ? 4.896 17.857 12.434 1.00 0.00 ? 17 ALA A HB1 15 ATOM 8134 H HB2 . ALA A 1 17 ? 5.691 19.295 11.680 1.00 0.00 ? 17 ALA A HB2 15 ATOM 8135 H HB3 . ALA A 1 17 ? 5.926 17.668 10.981 1.00 0.00 ? 17 ALA A HB3 15 ATOM 8136 N N . LYS A 1 18 ? 6.687 18.325 15.210 1.00 0.00 ? 18 LYS A N 15 ATOM 8137 C CA . LYS A 1 18 ? 6.273 19.091 16.383 1.00 0.00 ? 18 LYS A CA 15 ATOM 8138 C C . LYS A 1 18 ? 7.474 19.488 17.210 1.00 0.00 ? 18 LYS A C 15 ATOM 8139 O O . LYS A 1 18 ? 7.545 20.597 17.736 1.00 0.00 ? 18 LYS A O 15 ATOM 8140 C CB . LYS A 1 18 ? 5.278 18.275 17.278 1.00 0.00 ? 18 LYS A CB 15 ATOM 8141 C CG . LYS A 1 18 ? 4.613 19.008 18.463 1.00 0.00 ? 18 LYS A CG 15 ATOM 8142 C CD . LYS A 1 18 ? 3.927 18.029 19.429 1.00 0.00 ? 18 LYS A CD 15 ATOM 8143 C CE . LYS A 1 18 ? 3.435 18.684 20.731 1.00 0.00 ? 18 LYS A CE 15 ATOM 8144 N NZ . LYS A 1 18 ? 2.762 17.674 21.585 1.00 0.00 ? 18 LYS A NZ 15 ATOM 8145 H H . LYS A 1 18 ? 6.595 17.327 15.341 1.00 0.00 ? 18 LYS A H 15 ATOM 8146 H HA . LYS A 1 18 ? 5.774 19.998 16.057 1.00 0.00 ? 18 LYS A HA 15 ATOM 8147 H HB2 . LYS A 1 18 ? 4.453 17.914 16.629 1.00 0.00 ? 18 LYS A HB2 15 ATOM 8148 H HB3 . LYS A 1 18 ? 5.783 17.369 17.683 1.00 0.00 ? 18 LYS A HB3 15 ATOM 8149 H HG2 . LYS A 1 18 ? 5.390 19.541 19.048 1.00 0.00 ? 18 LYS A HG2 15 ATOM 8150 H HG3 . LYS A 1 18 ? 3.890 19.768 18.091 1.00 0.00 ? 18 LYS A HG3 15 ATOM 8151 H HD2 . LYS A 1 18 ? 3.082 17.556 18.878 1.00 0.00 ? 18 LYS A HD2 15 ATOM 8152 H HD3 . LYS A 1 18 ? 4.673 17.246 19.695 1.00 0.00 ? 18 LYS A HD3 15 ATOM 8153 H HE2 . LYS A 1 18 ? 4.287 19.115 21.305 1.00 0.00 ? 18 LYS A HE2 15 ATOM 8154 H HE3 . LYS A 1 18 ? 2.698 19.487 20.506 1.00 0.00 ? 18 LYS A HE3 15 ATOM 8155 H HZ1 . LYS A 1 18 ? 2.035 17.185 21.027 1.00 0.00 ? 18 LYS A HZ1 15 ATOM 8156 H HZ2 . LYS A 1 18 ? 3.456 16.975 21.918 1.00 0.00 ? 18 LYS A HZ2 15 ATOM 8157 H HZ3 . LYS A 1 18 ? 2.309 18.140 22.398 1.00 0.00 ? 18 LYS A HZ3 15 ATOM 8158 N N . ASP A 1 19 ? 8.503 18.600 17.290 1.00 0.00 ? 19 ASP A N 15 ATOM 8159 C CA . ASP A 1 19 ? 9.693 18.679 18.150 1.00 0.00 ? 19 ASP A CA 15 ATOM 8160 C C . ASP A 1 19 ? 10.815 19.432 17.472 1.00 0.00 ? 19 ASP A C 15 ATOM 8161 O O . ASP A 1 19 ? 11.993 19.298 17.795 1.00 0.00 ? 19 ASP A O 15 ATOM 8162 C CB . ASP A 1 19 ? 10.222 17.306 18.662 1.00 0.00 ? 19 ASP A CB 15 ATOM 8163 C CG . ASP A 1 19 ? 9.167 16.637 19.531 1.00 0.00 ? 19 ASP A CG 15 ATOM 8164 O OD1 . ASP A 1 19 ? 8.755 17.244 20.561 1.00 0.00 ? 19 ASP A OD1 15 ATOM 8165 O OD2 . ASP A 1 19 ? 8.743 15.511 19.176 1.00 0.00 ? 19 ASP A OD2 15 ATOM 8166 H H . ASP A 1 19 ? 8.423 17.753 16.783 1.00 0.00 ? 19 ASP A H 15 ATOM 8167 H HA . ASP A 1 19 ? 9.444 19.242 19.034 1.00 0.00 ? 19 ASP A HA 15 ATOM 8168 H HB2 . ASP A 1 19 ? 10.485 16.635 17.815 1.00 0.00 ? 19 ASP A HB2 15 ATOM 8169 H HB3 . ASP A 1 19 ? 11.121 17.429 19.310 1.00 0.00 ? 19 ASP A HB3 15 ATOM 8170 N N . ALA A 1 20 ? 10.409 20.328 16.548 1.00 0.00 ? 20 ALA A N 15 ATOM 8171 C CA . ALA A 1 20 ? 11.111 21.483 16.054 1.00 0.00 ? 20 ALA A CA 15 ATOM 8172 C C . ALA A 1 20 ? 10.756 22.687 16.912 1.00 0.00 ? 20 ALA A C 15 ATOM 8173 O O . ALA A 1 20 ? 11.637 23.376 17.414 1.00 0.00 ? 20 ALA A O 15 ATOM 8174 C CB . ALA A 1 20 ? 10.743 21.784 14.574 1.00 0.00 ? 20 ALA A CB 15 ATOM 8175 H H . ALA A 1 20 ? 9.453 20.272 16.271 1.00 0.00 ? 20 ALA A H 15 ATOM 8176 H HA . ALA A 1 20 ? 12.178 21.312 16.124 1.00 0.00 ? 20 ALA A HA 15 ATOM 8177 H HB1 . ALA A 1 20 ? 9.655 21.972 14.427 1.00 0.00 ? 20 ALA A HB1 15 ATOM 8178 H HB2 . ALA A 1 20 ? 11.303 22.661 14.179 1.00 0.00 ? 20 ALA A HB2 15 ATOM 8179 H HB3 . ALA A 1 20 ? 11.007 20.909 13.945 1.00 0.00 ? 20 ALA A HB3 15 ATOM 8180 N N . GLU A 1 21 ? 9.434 22.966 17.096 1.00 0.00 ? 21 GLU A N 15 ATOM 8181 C CA . GLU A 1 21 ? 8.868 24.193 17.670 1.00 0.00 ? 21 GLU A CA 15 ATOM 8182 C C . GLU A 1 21 ? 8.712 24.047 19.167 1.00 0.00 ? 21 GLU A C 15 ATOM 8183 O O . GLU A 1 21 ? 8.913 24.961 19.970 1.00 0.00 ? 21 GLU A O 15 ATOM 8184 C CB . GLU A 1 21 ? 7.468 24.499 17.064 1.00 0.00 ? 21 GLU A CB 15 ATOM 8185 C CG . GLU A 1 21 ? 7.461 24.695 15.535 1.00 0.00 ? 21 GLU A CG 15 ATOM 8186 C CD . GLU A 1 21 ? 6.004 24.806 15.093 1.00 0.00 ? 21 GLU A CD 15 ATOM 8187 O OE1 . GLU A 1 21 ? 5.409 23.707 14.956 1.00 0.00 ? 21 GLU A OE1 15 ATOM 8188 O OE2 . GLU A 1 21 ? 5.474 25.936 14.943 1.00 0.00 ? 21 GLU A OE2 15 ATOM 8189 H H . GLU A 1 21 ? 8.766 22.279 16.799 1.00 0.00 ? 21 GLU A H 15 ATOM 8190 H HA . GLU A 1 21 ? 9.532 25.027 17.483 1.00 0.00 ? 21 GLU A HA 15 ATOM 8191 H HB2 . GLU A 1 21 ? 6.763 23.662 17.280 1.00 0.00 ? 21 GLU A HB2 15 ATOM 8192 H HB3 . GLU A 1 21 ? 7.037 25.433 17.494 1.00 0.00 ? 21 GLU A HB3 15 ATOM 8193 H HG2 . GLU A 1 21 ? 8.020 25.613 15.256 1.00 0.00 ? 21 GLU A HG2 15 ATOM 8194 H HG3 . GLU A 1 21 ? 7.917 23.825 15.011 1.00 0.00 ? 21 GLU A HG3 15 ATOM 8195 N N . ASN A 1 22 ? 8.391 22.784 19.552 1.00 0.00 ? 22 ASN A N 15 ATOM 8196 C CA . ASN A 1 22 ? 8.170 22.240 20.888 1.00 0.00 ? 22 ASN A CA 15 ATOM 8197 C C . ASN A 1 22 ? 9.470 22.149 21.680 1.00 0.00 ? 22 ASN A C 15 ATOM 8198 O O . ASN A 1 22 ? 9.476 22.218 22.904 1.00 0.00 ? 22 ASN A O 15 ATOM 8199 C CB . ASN A 1 22 ? 7.467 20.855 20.729 1.00 0.00 ? 22 ASN A CB 15 ATOM 8200 C CG . ASN A 1 22 ? 7.028 20.137 21.995 1.00 0.00 ? 22 ASN A CG 15 ATOM 8201 O OD1 . ASN A 1 22 ? 6.313 20.753 22.781 1.00 0.00 ? 22 ASN A OD1 15 ATOM 8202 N ND2 . ASN A 1 22 ? 7.408 18.847 22.197 1.00 0.00 ? 22 ASN A ND2 15 ATOM 8203 H H . ASN A 1 22 ? 8.210 22.107 18.832 1.00 0.00 ? 22 ASN A H 15 ATOM 8204 H HA . ASN A 1 22 ? 7.493 22.897 21.415 1.00 0.00 ? 22 ASN A HA 15 ATOM 8205 H HB2 . ASN A 1 22 ? 6.531 21.041 20.159 1.00 0.00 ? 22 ASN A HB2 15 ATOM 8206 H HB3 . ASN A 1 22 ? 8.102 20.174 20.136 1.00 0.00 ? 22 ASN A HB3 15 ATOM 8207 H HD21 . ASN A 1 22 ? 7.991 18.332 21.521 1.00 0.00 ? 22 ASN A HD21 15 ATOM 8208 H HD22 . ASN A 1 22 ? 7.309 18.465 23.110 1.00 0.00 ? 22 ASN A HD22 15 ATOM 8209 N N . ALA A 1 23 ? 10.623 22.125 20.954 1.00 0.00 ? 23 ALA A N 15 ATOM 8210 C CA . ALA A 1 23 ? 11.975 21.998 21.494 1.00 0.00 ? 23 ALA A CA 15 ATOM 8211 C C . ALA A 1 23 ? 12.509 23.289 22.097 1.00 0.00 ? 23 ALA A C 15 ATOM 8212 O O . ALA A 1 23 ? 13.380 23.280 22.964 1.00 0.00 ? 23 ALA A O 15 ATOM 8213 C CB . ALA A 1 23 ? 12.971 21.536 20.401 1.00 0.00 ? 23 ALA A CB 15 ATOM 8214 H H . ALA A 1 23 ? 10.558 22.166 19.957 1.00 0.00 ? 23 ALA A H 15 ATOM 8215 H HA . ALA A 1 23 ? 11.963 21.248 22.275 1.00 0.00 ? 23 ALA A HA 15 ATOM 8216 H HB1 . ALA A 1 23 ? 12.998 22.243 19.542 1.00 0.00 ? 23 ALA A HB1 15 ATOM 8217 H HB2 . ALA A 1 23 ? 14.010 21.410 20.782 1.00 0.00 ? 23 ALA A HB2 15 ATOM 8218 H HB3 . ALA A 1 23 ? 12.652 20.549 20.001 1.00 0.00 ? 23 ALA A HB3 15 ATOM 8219 N N . SER A 1 24 ? 11.979 24.453 21.636 1.00 0.00 ? 24 SER A N 15 ATOM 8220 C CA . SER A 1 24 ? 12.195 25.780 22.210 1.00 0.00 ? 24 SER A CA 15 ATOM 8221 C C . SER A 1 24 ? 11.141 26.115 23.251 1.00 0.00 ? 24 SER A C 15 ATOM 8222 O O . SER A 1 24 ? 11.365 26.929 24.145 1.00 0.00 ? 24 SER A O 15 ATOM 8223 C CB . SER A 1 24 ? 12.225 26.904 21.134 1.00 0.00 ? 24 SER A CB 15 ATOM 8224 O OG . SER A 1 24 ? 13.290 26.682 20.219 1.00 0.00 ? 24 SER A OG 15 ATOM 8225 H H . SER A 1 24 ? 11.332 24.443 20.878 1.00 0.00 ? 24 SER A H 15 ATOM 8226 H HA . SER A 1 24 ? 13.149 25.790 22.725 1.00 0.00 ? 24 SER A HA 15 ATOM 8227 H HB2 . SER A 1 24 ? 11.275 26.921 20.551 1.00 0.00 ? 24 SER A HB2 15 ATOM 8228 H HB3 . SER A 1 24 ? 12.371 27.911 21.593 1.00 0.00 ? 24 SER A HB3 15 ATOM 8229 H HG . SER A 1 24 ? 14.117 26.839 20.686 1.00 0.00 ? 24 SER A HG 15 ATOM 8230 N N . LYS A 1 25 ? 9.953 25.441 23.171 1.00 0.00 ? 25 LYS A N 15 ATOM 8231 C CA . LYS A 1 25 ? 8.805 25.607 24.061 1.00 0.00 ? 25 LYS A CA 15 ATOM 8232 C C . LYS A 1 25 ? 9.016 24.858 25.369 1.00 0.00 ? 25 LYS A C 15 ATOM 8233 O O . LYS A 1 25 ? 8.608 25.307 26.439 1.00 0.00 ? 25 LYS A O 15 ATOM 8234 C CB . LYS A 1 25 ? 7.479 25.142 23.372 1.00 0.00 ? 25 LYS A CB 15 ATOM 8235 C CG . LYS A 1 25 ? 6.180 25.757 23.926 1.00 0.00 ? 25 LYS A CG 15 ATOM 8236 C CD . LYS A 1 25 ? 6.054 27.249 23.599 1.00 0.00 ? 25 LYS A CD 15 ATOM 8237 C CE . LYS A 1 25 ? 5.023 28.014 24.457 1.00 0.00 ? 25 LYS A CE 15 ATOM 8238 N NZ . LYS A 1 25 ? 5.226 29.486 24.351 1.00 0.00 ? 25 LYS A NZ 15 ATOM 8239 H H . LYS A 1 25 ? 9.805 24.789 22.433 1.00 0.00 ? 25 LYS A H 15 ATOM 8240 H HA . LYS A 1 25 ? 8.730 26.661 24.302 1.00 0.00 ? 25 LYS A HA 15 ATOM 8241 H HB2 . LYS A 1 25 ? 7.525 25.433 22.299 1.00 0.00 ? 25 LYS A HB2 15 ATOM 8242 H HB3 . LYS A 1 25 ? 7.383 24.034 23.400 1.00 0.00 ? 25 LYS A HB3 15 ATOM 8243 H HG2 . LYS A 1 25 ? 5.314 25.217 23.483 1.00 0.00 ? 25 LYS A HG2 15 ATOM 8244 H HG3 . LYS A 1 25 ? 6.154 25.595 25.025 1.00 0.00 ? 25 LYS A HG3 15 ATOM 8245 H HD2 . LYS A 1 25 ? 7.053 27.690 23.801 1.00 0.00 ? 25 LYS A HD2 15 ATOM 8246 H HD3 . LYS A 1 25 ? 5.860 27.376 22.512 1.00 0.00 ? 25 LYS A HD3 15 ATOM 8247 H HE2 . LYS A 1 25 ? 3.977 27.768 24.171 1.00 0.00 ? 25 LYS A HE2 15 ATOM 8248 H HE3 . LYS A 1 25 ? 5.183 27.748 25.524 1.00 0.00 ? 25 LYS A HE3 15 ATOM 8249 H HZ1 . LYS A 1 25 ? 6.289 29.644 24.463 1.00 0.00 ? 25 LYS A HZ1 15 ATOM 8250 H HZ2 . LYS A 1 25 ? 4.901 29.914 23.467 1.00 0.00 ? 25 LYS A HZ2 15 ATOM 8251 H HZ3 . LYS A 1 25 ? 4.858 30.010 25.175 1.00 0.00 ? 25 LYS A HZ3 15 ATOM 8252 N N . GLU A 1 26 ? 9.796 23.737 25.279 1.00 0.00 ? 26 GLU A N 15 ATOM 8253 C CA . GLU A 1 26 ? 10.400 22.948 26.351 1.00 0.00 ? 26 GLU A CA 15 ATOM 8254 C C . GLU A 1 26 ? 11.360 23.744 27.230 1.00 0.00 ? 26 GLU A C 15 ATOM 8255 O O . GLU A 1 26 ? 11.396 23.601 28.448 1.00 0.00 ? 26 GLU A O 15 ATOM 8256 C CB . GLU A 1 26 ? 11.199 21.754 25.722 1.00 0.00 ? 26 GLU A CB 15 ATOM 8257 C CG . GLU A 1 26 ? 11.524 20.551 26.640 1.00 0.00 ? 26 GLU A CG 15 ATOM 8258 C CD . GLU A 1 26 ? 10.249 19.804 27.001 1.00 0.00 ? 26 GLU A CD 15 ATOM 8259 O OE1 . GLU A 1 26 ? 9.476 19.498 26.057 1.00 0.00 ? 26 GLU A OE1 15 ATOM 8260 O OE2 . GLU A 1 26 ? 10.030 19.545 28.213 1.00 0.00 ? 26 GLU A OE2 15 ATOM 8261 H H . GLU A 1 26 ? 9.944 23.330 24.369 1.00 0.00 ? 26 GLU A H 15 ATOM 8262 H HA . GLU A 1 26 ? 9.591 22.580 26.969 1.00 0.00 ? 26 GLU A HA 15 ATOM 8263 H HB2 . GLU A 1 26 ? 10.594 21.336 24.890 1.00 0.00 ? 26 GLU A HB2 15 ATOM 8264 H HB3 . GLU A 1 26 ? 12.153 22.097 25.259 1.00 0.00 ? 26 GLU A HB3 15 ATOM 8265 H HG2 . GLU A 1 26 ? 12.165 19.841 26.076 1.00 0.00 ? 26 GLU A HG2 15 ATOM 8266 H HG3 . GLU A 1 26 ? 12.062 20.860 27.562 1.00 0.00 ? 26 GLU A HG3 15 ATOM 8267 N N . ALA A 1 27 ? 12.154 24.647 26.589 1.00 0.00 ? 27 ALA A N 15 ATOM 8268 C CA . ALA A 1 27 ? 13.129 25.518 27.226 1.00 0.00 ? 27 ALA A CA 15 ATOM 8269 C C . ALA A 1 27 ? 12.571 26.873 27.646 1.00 0.00 ? 27 ALA A C 15 ATOM 8270 O O . ALA A 1 27 ? 13.333 27.737 28.073 1.00 0.00 ? 27 ALA A O 15 ATOM 8271 C CB . ALA A 1 27 ? 14.383 25.721 26.335 1.00 0.00 ? 27 ALA A CB 15 ATOM 8272 H H . ALA A 1 27 ? 12.079 24.732 25.598 1.00 0.00 ? 27 ALA A H 15 ATOM 8273 H HA . ALA A 1 27 ? 13.478 25.030 28.130 1.00 0.00 ? 27 ALA A HA 15 ATOM 8274 H HB1 . ALA A 1 27 ? 14.799 24.721 26.080 1.00 0.00 ? 27 ALA A HB1 15 ATOM 8275 H HB2 . ALA A 1 27 ? 14.140 26.242 25.379 1.00 0.00 ? 27 ALA A HB2 15 ATOM 8276 H HB3 . ALA A 1 27 ? 15.182 26.296 26.859 1.00 0.00 ? 27 ALA A HB3 15 ATOM 8277 N N . GLU A 1 28 ? 11.225 27.089 27.548 1.00 0.00 ? 28 GLU A N 15 ATOM 8278 C CA . GLU A 1 28 ? 10.569 28.361 27.886 1.00 0.00 ? 28 GLU A CA 15 ATOM 8279 C C . GLU A 1 28 ? 10.154 28.460 29.358 1.00 0.00 ? 28 GLU A C 15 ATOM 8280 O O . GLU A 1 28 ? 10.023 29.563 29.880 1.00 0.00 ? 28 GLU A O 15 ATOM 8281 C CB . GLU A 1 28 ? 9.369 28.676 26.929 1.00 0.00 ? 28 GLU A CB 15 ATOM 8282 C CG . GLU A 1 28 ? 8.701 30.081 27.046 1.00 0.00 ? 28 GLU A CG 15 ATOM 8283 C CD . GLU A 1 28 ? 7.638 30.303 25.971 1.00 0.00 ? 28 GLU A CD 15 ATOM 8284 O OE1 . GLU A 1 28 ? 7.726 29.648 24.901 1.00 0.00 ? 28 GLU A OE1 15 ATOM 8285 O OE2 . GLU A 1 28 ? 6.661 31.071 26.148 1.00 0.00 ? 28 GLU A OE2 15 ATOM 8286 H H . GLU A 1 28 ? 10.632 26.375 27.165 1.00 0.00 ? 28 GLU A H 15 ATOM 8287 H HA . GLU A 1 28 ? 11.280 29.161 27.727 1.00 0.00 ? 28 GLU A HA 15 ATOM 8288 H HB2 . GLU A 1 28 ? 9.764 28.598 25.891 1.00 0.00 ? 28 GLU A HB2 15 ATOM 8289 H HB3 . GLU A 1 28 ? 8.575 27.902 27.028 1.00 0.00 ? 28 GLU A HB3 15 ATOM 8290 H HG2 . GLU A 1 28 ? 8.190 30.170 28.029 1.00 0.00 ? 28 GLU A HG2 15 ATOM 8291 H HG3 . GLU A 1 28 ? 9.468 30.880 26.975 1.00 0.00 ? 28 GLU A HG3 15 ATOM 8292 N N . GLU A 1 29 ? 9.982 27.310 30.072 1.00 0.00 ? 29 GLU A N 15 ATOM 8293 C CA . GLU A 1 29 ? 9.572 27.207 31.478 1.00 0.00 ? 29 GLU A CA 15 ATOM 8294 C C . GLU A 1 29 ? 10.795 27.206 32.396 1.00 0.00 ? 29 GLU A C 15 ATOM 8295 O O . GLU A 1 29 ? 10.838 27.821 33.465 1.00 0.00 ? 29 GLU A O 15 ATOM 8296 C CB . GLU A 1 29 ? 8.704 25.927 31.705 1.00 0.00 ? 29 GLU A CB 15 ATOM 8297 C CG . GLU A 1 29 ? 7.944 25.835 33.052 1.00 0.00 ? 29 GLU A CG 15 ATOM 8298 C CD . GLU A 1 29 ? 6.854 26.902 33.145 1.00 0.00 ? 29 GLU A CD 15 ATOM 8299 O OE1 . GLU A 1 29 ? 5.833 26.783 32.412 1.00 0.00 ? 29 GLU A OE1 15 ATOM 8300 O OE2 . GLU A 1 29 ? 7.033 27.860 33.944 1.00 0.00 ? 29 GLU A OE2 15 ATOM 8301 H H . GLU A 1 29 ? 10.111 26.426 29.631 1.00 0.00 ? 29 GLU A H 15 ATOM 8302 H HA . GLU A 1 29 ? 8.965 28.071 31.735 1.00 0.00 ? 29 GLU A HA 15 ATOM 8303 H HB2 . GLU A 1 29 ? 7.927 25.891 30.910 1.00 0.00 ? 29 GLU A HB2 15 ATOM 8304 H HB3 . GLU A 1 29 ? 9.314 25.002 31.594 1.00 0.00 ? 29 GLU A HB3 15 ATOM 8305 H HG2 . GLU A 1 29 ? 7.437 24.850 33.130 1.00 0.00 ? 29 GLU A HG2 15 ATOM 8306 H HG3 . GLU A 1 29 ? 8.635 25.927 33.917 1.00 0.00 ? 29 GLU A HG3 15 ATOM 8307 N N . ALA A 1 30 ? 11.906 26.569 31.923 1.00 0.00 ? 30 ALA A N 15 ATOM 8308 C CA . ALA A 1 30 ? 13.210 26.461 32.586 1.00 0.00 ? 30 ALA A CA 15 ATOM 8309 C C . ALA A 1 30 ? 13.986 27.776 32.605 1.00 0.00 ? 30 ALA A C 15 ATOM 8310 O O . ALA A 1 30 ? 14.920 27.961 33.379 1.00 0.00 ? 30 ALA A O 15 ATOM 8311 C CB . ALA A 1 30 ? 14.101 25.378 31.918 1.00 0.00 ? 30 ALA A CB 15 ATOM 8312 H H . ALA A 1 30 ? 11.837 26.060 31.072 1.00 0.00 ? 30 ALA A H 15 ATOM 8313 H HA . ALA A 1 30 ? 13.032 26.168 33.613 1.00 0.00 ? 30 ALA A HA 15 ATOM 8314 H HB1 . ALA A 1 30 ? 14.294 25.587 30.841 1.00 0.00 ? 30 ALA A HB1 15 ATOM 8315 H HB2 . ALA A 1 30 ? 15.080 25.262 32.437 1.00 0.00 ? 30 ALA A HB2 15 ATOM 8316 H HB3 . ALA A 1 30 ? 13.584 24.396 31.973 1.00 0.00 ? 30 ALA A HB3 15 ATOM 8317 N N . ALA A 1 31 ? 13.497 28.745 31.783 1.00 0.00 ? 31 ALA A N 15 ATOM 8318 C CA . ALA A 1 31 ? 13.903 30.141 31.713 1.00 0.00 ? 31 ALA A CA 15 ATOM 8319 C C . ALA A 1 31 ? 13.253 30.996 32.791 1.00 0.00 ? 31 ALA A C 15 ATOM 8320 O O . ALA A 1 31 ? 13.467 32.205 32.827 1.00 0.00 ? 31 ALA A O 15 ATOM 8321 C CB . ALA A 1 31 ? 13.583 30.760 30.327 1.00 0.00 ? 31 ALA A CB 15 ATOM 8322 H H . ALA A 1 31 ? 12.717 28.494 31.210 1.00 0.00 ? 31 ALA A H 15 ATOM 8323 H HA . ALA A 1 31 ? 14.967 30.210 31.846 1.00 0.00 ? 31 ALA A HA 15 ATOM 8324 H HB1 . ALA A 1 31 ? 14.097 30.167 29.538 1.00 0.00 ? 31 ALA A HB1 15 ATOM 8325 H HB2 . ALA A 1 31 ? 12.491 30.746 30.102 1.00 0.00 ? 31 ALA A HB2 15 ATOM 8326 H HB3 . ALA A 1 31 ? 13.954 31.806 30.253 1.00 0.00 ? 31 ALA A HB3 15 ATOM 8327 N N . LYS A 1 32 ? 12.414 30.372 33.661 1.00 0.00 ? 32 LYS A N 15 ATOM 8328 C CA . LYS A 1 32 ? 11.627 31.025 34.690 1.00 0.00 ? 32 LYS A CA 15 ATOM 8329 C C . LYS A 1 32 ? 11.672 30.271 36.005 1.00 0.00 ? 32 LYS A C 15 ATOM 8330 O O . LYS A 1 32 ? 11.716 30.944 37.032 1.00 0.00 ? 32 LYS A O 15 ATOM 8331 C CB . LYS A 1 32 ? 10.110 31.165 34.305 1.00 0.00 ? 32 LYS A CB 15 ATOM 8332 C CG . LYS A 1 32 ? 9.782 31.953 33.021 1.00 0.00 ? 32 LYS A CG 15 ATOM 8333 C CD . LYS A 1 32 ? 9.873 33.483 33.152 1.00 0.00 ? 32 LYS A CD 15 ATOM 8334 C CE . LYS A 1 32 ? 9.417 34.182 31.857 1.00 0.00 ? 32 LYS A CE 15 ATOM 8335 N NZ . LYS A 1 32 ? 9.408 35.660 31.980 1.00 0.00 ? 32 LYS A NZ 15 ATOM 8336 H H . LYS A 1 32 ? 12.225 29.398 33.544 1.00 0.00 ? 32 LYS A H 15 ATOM 8337 H HA . LYS A 1 32 ? 12.084 31.988 34.918 1.00 0.00 ? 32 LYS A HA 15 ATOM 8338 H HB2 . LYS A 1 32 ? 9.692 30.143 34.130 1.00 0.00 ? 32 LYS A HB2 15 ATOM 8339 H HB3 . LYS A 1 32 ? 9.520 31.637 35.124 1.00 0.00 ? 32 LYS A HB3 15 ATOM 8340 H HG2 . LYS A 1 32 ? 10.432 31.604 32.189 1.00 0.00 ? 32 LYS A HG2 15 ATOM 8341 H HG3 . LYS A 1 32 ? 8.737 31.693 32.740 1.00 0.00 ? 32 LYS A HG3 15 ATOM 8342 H HD2 . LYS A 1 32 ? 9.226 33.791 34.004 1.00 0.00 ? 32 LYS A HD2 15 ATOM 8343 H HD3 . LYS A 1 32 ? 10.927 33.744 33.397 1.00 0.00 ? 32 LYS A HD3 15 ATOM 8344 H HE2 . LYS A 1 32 ? 10.086 33.912 31.011 1.00 0.00 ? 32 LYS A HE2 15 ATOM 8345 H HE3 . LYS A 1 32 ? 8.380 33.866 31.610 1.00 0.00 ? 32 LYS A HE3 15 ATOM 8346 H HZ1 . LYS A 1 32 ? 8.782 35.949 32.757 1.00 0.00 ? 32 LYS A HZ1 15 ATOM 8347 H HZ2 . LYS A 1 32 ? 10.368 36.015 32.162 1.00 0.00 ? 32 LYS A HZ2 15 ATOM 8348 H HZ3 . LYS A 1 32 ? 9.055 36.065 31.089 1.00 0.00 ? 32 LYS A HZ3 15 ATOM 8349 N N . GLU A 1 33 ? 11.650 28.885 36.042 1.00 0.00 ? 33 GLU A N 15 ATOM 8350 C CA . GLU A 1 33 ? 11.550 28.032 37.262 1.00 0.00 ? 33 GLU A CA 15 ATOM 8351 C C . GLU A 1 33 ? 12.648 28.274 38.293 1.00 0.00 ? 33 GLU A C 15 ATOM 8352 O O . GLU A 1 33 ? 12.437 28.264 39.505 1.00 0.00 ? 33 GLU A O 15 ATOM 8353 C CB . GLU A 1 33 ? 11.671 26.478 37.020 1.00 0.00 ? 33 GLU A CB 15 ATOM 8354 C CG . GLU A 1 33 ? 10.576 25.746 36.211 1.00 0.00 ? 33 GLU A CG 15 ATOM 8355 C CD . GLU A 1 33 ? 10.877 24.236 36.264 1.00 0.00 ? 33 GLU A CD 15 ATOM 8356 O OE1 . GLU A 1 33 ? 12.096 23.904 36.292 1.00 0.00 ? 33 GLU A OE1 15 ATOM 8357 O OE2 . GLU A 1 33 ? 9.917 23.418 36.318 1.00 0.00 ? 33 GLU A OE2 15 ATOM 8358 H H . GLU A 1 33 ? 11.520 28.374 35.185 1.00 0.00 ? 33 GLU A H 15 ATOM 8359 H HA . GLU A 1 33 ? 10.593 28.239 37.725 1.00 0.00 ? 33 GLU A HA 15 ATOM 8360 H HB2 . GLU A 1 33 ? 12.641 26.236 36.524 1.00 0.00 ? 33 GLU A HB2 15 ATOM 8361 H HB3 . GLU A 1 33 ? 11.649 25.926 37.996 1.00 0.00 ? 33 GLU A HB3 15 ATOM 8362 H HG2 . GLU A 1 33 ? 9.568 25.923 36.643 1.00 0.00 ? 33 GLU A HG2 15 ATOM 8363 H HG3 . GLU A 1 33 ? 10.582 26.078 35.156 1.00 0.00 ? 33 GLU A HG3 15 ATOM 8364 N N . ALA A 1 34 ? 13.869 28.467 37.742 1.00 0.00 ? 34 ALA A N 15 ATOM 8365 C CA . ALA A 1 34 ? 15.071 28.910 38.423 1.00 0.00 ? 34 ALA A CA 15 ATOM 8366 C C . ALA A 1 34 ? 15.180 30.424 38.366 1.00 0.00 ? 34 ALA A C 15 ATOM 8367 O O . ALA A 1 34 ? 14.761 31.117 39.289 1.00 0.00 ? 34 ALA A O 15 ATOM 8368 C CB . ALA A 1 34 ? 16.346 28.224 37.859 1.00 0.00 ? 34 ALA A CB 15 ATOM 8369 H H . ALA A 1 34 ? 13.887 28.430 36.745 1.00 0.00 ? 34 ALA A H 15 ATOM 8370 H HA . ALA A 1 34 ? 14.998 28.640 39.472 1.00 0.00 ? 34 ALA A HA 15 ATOM 8371 H HB1 . ALA A 1 34 ? 16.226 27.121 37.962 1.00 0.00 ? 34 ALA A HB1 15 ATOM 8372 H HB2 . ALA A 1 34 ? 16.524 28.429 36.781 1.00 0.00 ? 34 ALA A HB2 15 ATOM 8373 H HB3 . ALA A 1 34 ? 17.252 28.510 38.438 1.00 0.00 ? 34 ALA A HB3 15 ATOM 8374 N N . VAL A 1 35 ? 15.753 30.934 37.242 1.00 0.00 ? 35 VAL A N 15 ATOM 8375 C CA . VAL A 1 35 ? 15.932 32.339 36.894 1.00 0.00 ? 35 VAL A CA 15 ATOM 8376 C C . VAL A 1 35 ? 16.389 32.396 35.441 1.00 0.00 ? 35 VAL A C 15 ATOM 8377 O O . VAL A 1 35 ? 15.993 33.302 34.716 1.00 0.00 ? 35 VAL A O 15 ATOM 8378 C CB . VAL A 1 35 ? 16.924 33.189 37.728 1.00 0.00 ? 35 VAL A CB 15 ATOM 8379 C CG1 . VAL A 1 35 ? 16.258 33.832 38.969 1.00 0.00 ? 35 VAL A CG1 15 ATOM 8380 C CG2 . VAL A 1 35 ? 18.187 32.380 38.085 1.00 0.00 ? 35 VAL A CG2 15 ATOM 8381 H H . VAL A 1 35 ? 15.988 30.300 36.518 1.00 0.00 ? 35 VAL A H 15 ATOM 8382 H HA . VAL A 1 35 ? 14.957 32.812 36.922 1.00 0.00 ? 35 VAL A HA 15 ATOM 8383 H HB . VAL A 1 35 ? 17.257 34.084 37.154 1.00 0.00 ? 35 VAL A HB 15 ATOM 8384 H HG11 . VAL A 1 35 ? 15.331 34.374 38.681 1.00 0.00 ? 35 VAL A HG11 15 ATOM 8385 H HG12 . VAL A 1 35 ? 15.994 33.077 39.737 1.00 0.00 ? 35 VAL A HG12 15 ATOM 8386 H HG13 . VAL A 1 35 ? 16.946 34.564 39.442 1.00 0.00 ? 35 VAL A HG13 15 ATOM 8387 H HG21 . VAL A 1 35 ? 18.709 32.026 37.174 1.00 0.00 ? 35 VAL A HG21 15 ATOM 8388 H HG22 . VAL A 1 35 ? 18.881 33.021 38.663 1.00 0.00 ? 35 VAL A HG22 15 ATOM 8389 H HG23 . VAL A 1 35 ? 17.910 31.501 38.704 1.00 0.00 ? 35 VAL A HG23 15 ATOM 8390 N N . ASN A 1 36 ? 17.292 31.482 35.002 1.00 0.00 ? 36 ASN A N 15 ATOM 8391 C CA . ASN A 1 36 ? 17.961 31.586 33.720 1.00 0.00 ? 36 ASN A CA 15 ATOM 8392 C C . ASN A 1 36 ? 17.954 30.198 33.150 1.00 0.00 ? 36 ASN A C 15 ATOM 8393 O O . ASN A 1 36 ? 17.090 29.862 32.354 1.00 0.00 ? 36 ASN A O 15 ATOM 8394 C CB . ASN A 1 36 ? 19.394 32.228 33.856 1.00 0.00 ? 36 ASN A CB 15 ATOM 8395 C CG . ASN A 1 36 ? 20.317 32.060 32.638 1.00 0.00 ? 36 ASN A CG 15 ATOM 8396 O OD1 . ASN A 1 36 ? 21.328 31.383 32.798 1.00 0.00 ? 36 ASN A OD1 15 ATOM 8397 N ND2 . ASN A 1 36 ? 19.948 32.554 31.440 1.00 0.00 ? 36 ASN A ND2 15 ATOM 8398 H H . ASN A 1 36 ? 17.585 30.728 35.580 1.00 0.00 ? 36 ASN A H 15 ATOM 8399 H HA . ASN A 1 36 ? 17.371 32.176 33.025 1.00 0.00 ? 36 ASN A HA 15 ATOM 8400 H HB2 . ASN A 1 36 ? 19.274 33.312 34.063 1.00 0.00 ? 36 ASN A HB2 15 ATOM 8401 H HB3 . ASN A 1 36 ? 19.925 31.777 34.722 1.00 0.00 ? 36 ASN A HB3 15 ATOM 8402 H HD21 . ASN A 1 36 ? 19.092 33.053 31.328 1.00 0.00 ? 36 ASN A HD21 15 ATOM 8403 H HD22 . ASN A 1 36 ? 20.438 32.163 30.630 1.00 0.00 ? 36 ASN A HD22 15 ATOM 8404 N N . LEU A 1 37 ? 18.979 29.361 33.484 1.00 0.00 ? 37 LEU A N 15 ATOM 8405 C CA . LEU A 1 37 ? 19.150 27.976 33.035 1.00 0.00 ? 37 LEU A CA 15 ATOM 8406 C C . LEU A 1 37 ? 19.368 27.849 31.527 1.00 0.00 ? 37 LEU A C 15 ATOM 8407 O O . LEU A 1 37 ? 18.930 26.876 30.915 1.00 0.00 ? 37 LEU A O 15 ATOM 8408 C CB . LEU A 1 37 ? 17.998 27.025 33.532 1.00 0.00 ? 37 LEU A CB 15 ATOM 8409 C CG . LEU A 1 37 ? 18.383 25.938 34.557 1.00 0.00 ? 37 LEU A CG 15 ATOM 8410 C CD1 . LEU A 1 37 ? 17.094 25.241 35.034 1.00 0.00 ? 37 LEU A CD1 15 ATOM 8411 C CD2 . LEU A 1 37 ? 19.411 24.924 34.006 1.00 0.00 ? 37 LEU A CD2 15 ATOM 8412 H H . LEU A 1 37 ? 19.724 29.700 34.054 1.00 0.00 ? 37 LEU A H 15 ATOM 8413 H HA . LEU A 1 37 ? 20.068 27.641 33.490 1.00 0.00 ? 37 LEU A HA 15 ATOM 8414 H HB2 . LEU A 1 37 ? 17.246 27.661 34.045 1.00 0.00 ? 37 LEU A HB2 15 ATOM 8415 H HB3 . LEU A 1 37 ? 17.439 26.524 32.706 1.00 0.00 ? 37 LEU A HB3 15 ATOM 8416 H HG . LEU A 1 37 ? 18.827 26.448 35.438 1.00 0.00 ? 37 LEU A HG 15 ATOM 8417 H HD11 . LEU A 1 37 ? 16.346 25.995 35.370 1.00 0.00 ? 37 LEU A HD11 15 ATOM 8418 H HD12 . LEU A 1 37 ? 16.637 24.651 34.208 1.00 0.00 ? 37 LEU A HD12 15 ATOM 8419 H HD13 . LEU A 1 37 ? 17.295 24.550 35.881 1.00 0.00 ? 37 LEU A HD13 15 ATOM 8420 H HD21 . LEU A 1 37 ? 19.019 24.447 33.080 1.00 0.00 ? 37 LEU A HD21 15 ATOM 8421 H HD22 . LEU A 1 37 ? 20.375 25.418 33.751 1.00 0.00 ? 37 LEU A HD22 15 ATOM 8422 H HD23 . LEU A 1 37 ? 19.618 24.126 34.754 1.00 0.00 ? 37 LEU A HD23 15 ATOM 8423 N N . LYS A 1 38 ? 19.971 28.884 30.895 1.00 0.00 ? 38 LYS A N 15 ATOM 8424 C CA . LYS A 1 38 ? 19.957 28.993 29.458 1.00 0.00 ? 38 LYS A CA 15 ATOM 8425 C C . LYS A 1 38 ? 21.088 29.943 29.063 1.00 0.00 ? 38 LYS A C 15 ATOM 8426 O O . LYS A 1 38 ? 21.106 31.094 29.578 1.00 0.00 ? 38 LYS A O 15 ATOM 8427 C CB . LYS A 1 38 ? 18.632 29.603 28.930 1.00 0.00 ? 38 LYS A CB 15 ATOM 8428 C CG . LYS A 1 38 ? 18.515 29.633 27.403 1.00 0.00 ? 38 LYS A CG 15 ATOM 8429 C CD . LYS A 1 38 ? 17.559 30.720 26.931 1.00 0.00 ? 38 LYS A CD 15 ATOM 8430 C CE . LYS A 1 38 ? 17.420 30.767 25.405 1.00 0.00 ? 38 LYS A CE 15 ATOM 8431 N NZ . LYS A 1 38 ? 16.702 31.996 25.006 1.00 0.00 ? 38 LYS A NZ 15 ATOM 8432 O OXT . LYS A 1 38 ? 21.903 29.562 28.179 1.00 0.00 ? 38 LYS A OXT 15 ATOM 8433 H H . LYS A 1 38 ? 20.376 29.671 31.369 1.00 0.00 ? 38 LYS A H 15 ATOM 8434 H HA . LYS A 1 38 ? 20.149 28.027 29.005 1.00 0.00 ? 38 LYS A HA 15 ATOM 8435 H HB2 . LYS A 1 38 ? 17.767 29.030 29.327 1.00 0.00 ? 38 LYS A HB2 15 ATOM 8436 H HB3 . LYS A 1 38 ? 18.555 30.638 29.332 1.00 0.00 ? 38 LYS A HB3 15 ATOM 8437 H HG2 . LYS A 1 38 ? 19.517 29.848 26.973 1.00 0.00 ? 38 LYS A HG2 15 ATOM 8438 H HG3 . LYS A 1 38 ? 18.195 28.631 27.045 1.00 0.00 ? 38 LYS A HG3 15 ATOM 8439 H HD2 . LYS A 1 38 ? 16.570 30.552 27.413 1.00 0.00 ? 38 LYS A HD2 15 ATOM 8440 H HD3 . LYS A 1 38 ? 17.979 31.679 27.311 1.00 0.00 ? 38 LYS A HD3 15 ATOM 8441 H HE2 . LYS A 1 38 ? 18.424 30.794 24.928 1.00 0.00 ? 38 LYS A HE2 15 ATOM 8442 H HE3 . LYS A 1 38 ? 16.858 29.884 25.030 1.00 0.00 ? 38 LYS A HE3 15 ATOM 8443 H HZ1 . LYS A 1 38 ? 15.859 32.105 25.608 1.00 0.00 ? 38 LYS A HZ1 15 ATOM 8444 H HZ2 . LYS A 1 38 ? 17.337 32.805 25.162 1.00 0.00 ? 38 LYS A HZ2 15 ATOM 8445 H HZ3 . LYS A 1 38 ? 16.441 31.949 24.001 1.00 0.00 ? 38 LYS A HZ3 15 ATOM 8446 N N . GLU A 1 1 ? 0.039 0.765 23.272 1.00 0.00 ? 1 GLU A N 16 ATOM 8447 C CA . GLU A 1 1 ? 1.301 -0.004 23.419 1.00 0.00 ? 1 GLU A CA 16 ATOM 8448 C C . GLU A 1 1 ? 2.302 0.538 22.452 1.00 0.00 ? 1 GLU A C 16 ATOM 8449 O O . GLU A 1 1 ? 2.012 1.510 21.755 1.00 0.00 ? 1 GLU A O 16 ATOM 8450 C CB . GLU A 1 1 ? 1.055 -1.541 23.194 1.00 0.00 ? 1 GLU A CB 16 ATOM 8451 C CG . GLU A 1 1 ? -0.217 -2.108 23.871 1.00 0.00 ? 1 GLU A CG 16 ATOM 8452 C CD . GLU A 1 1 ? -0.423 -1.417 25.206 1.00 0.00 ? 1 GLU A CD 16 ATOM 8453 O OE1 . GLU A 1 1 ? 0.263 -1.774 26.192 1.00 0.00 ? 1 GLU A OE1 16 ATOM 8454 O OE2 . GLU A 1 1 ? -1.183 -0.405 25.181 1.00 0.00 ? 1 GLU A OE2 16 ATOM 8455 H H1 . GLU A 1 1 ? 0.237 1.781 23.327 1.00 0.00 ? 1 GLU A H1 16 ATOM 8456 H H2 . GLU A 1 1 ? -0.409 0.542 22.362 1.00 0.00 ? 1 GLU A H2 16 ATOM 8457 H H3 . GLU A 1 1 ? -0.593 0.461 24.064 1.00 0.00 ? 1 GLU A H3 16 ATOM 8458 H HA . GLU A 1 1 ? 1.652 0.176 24.426 1.00 0.00 ? 1 GLU A HA 16 ATOM 8459 H HB2 . GLU A 1 1 ? 0.968 -1.808 22.114 1.00 0.00 ? 1 GLU A HB2 16 ATOM 8460 H HB3 . GLU A 1 1 ? 1.918 -2.106 23.615 1.00 0.00 ? 1 GLU A HB3 16 ATOM 8461 H HG2 . GLU A 1 1 ? -1.110 -1.924 23.238 1.00 0.00 ? 1 GLU A HG2 16 ATOM 8462 H HG3 . GLU A 1 1 ? -0.142 -3.203 24.039 1.00 0.00 ? 1 GLU A HG3 16 ATOM 8463 N N . ALA A 1 2 ? 3.491 -0.112 22.357 1.00 0.00 ? 2 ALA A N 16 ATOM 8464 C CA . ALA A 1 2 ? 4.461 0.112 21.318 1.00 0.00 ? 2 ALA A CA 16 ATOM 8465 C C . ALA A 1 2 ? 4.791 -1.284 20.891 1.00 0.00 ? 2 ALA A C 16 ATOM 8466 O O . ALA A 1 2 ? 4.859 -2.194 21.712 1.00 0.00 ? 2 ALA A O 16 ATOM 8467 C CB . ALA A 1 2 ? 5.750 0.863 21.748 1.00 0.00 ? 2 ALA A CB 16 ATOM 8468 H H . ALA A 1 2 ? 3.723 -0.918 22.907 1.00 0.00 ? 2 ALA A H 16 ATOM 8469 H HA . ALA A 1 2 ? 4.011 0.627 20.478 1.00 0.00 ? 2 ALA A HA 16 ATOM 8470 H HB1 . ALA A 1 2 ? 6.314 0.332 22.548 1.00 0.00 ? 2 ALA A HB1 16 ATOM 8471 H HB2 . ALA A 1 2 ? 6.431 1.012 20.877 1.00 0.00 ? 2 ALA A HB2 16 ATOM 8472 H HB3 . ALA A 1 2 ? 5.479 1.869 22.137 1.00 0.00 ? 2 ALA A HB3 16 ATOM 8473 N N . TYR A 1 3 ? 4.961 -1.447 19.568 1.00 0.00 ? 3 TYR A N 16 ATOM 8474 C CA . TYR A 1 3 ? 5.163 -2.679 18.848 1.00 0.00 ? 3 TYR A CA 16 ATOM 8475 C C . TYR A 1 3 ? 6.047 -2.182 17.731 1.00 0.00 ? 3 TYR A C 16 ATOM 8476 O O . TYR A 1 3 ? 7.248 -2.016 17.923 1.00 0.00 ? 3 TYR A O 16 ATOM 8477 C CB . TYR A 1 3 ? 3.796 -3.306 18.388 1.00 0.00 ? 3 TYR A CB 16 ATOM 8478 C CG . TYR A 1 3 ? 3.857 -4.491 17.440 1.00 0.00 ? 3 TYR A CG 16 ATOM 8479 C CD1 . TYR A 1 3 ? 4.492 -5.700 17.787 1.00 0.00 ? 3 TYR A CD1 16 ATOM 8480 C CD2 . TYR A 1 3 ? 3.209 -4.404 16.191 1.00 0.00 ? 3 TYR A CD2 16 ATOM 8481 C CE1 . TYR A 1 3 ? 4.460 -6.803 16.912 1.00 0.00 ? 3 TYR A CE1 16 ATOM 8482 C CE2 . TYR A 1 3 ? 3.176 -5.497 15.316 1.00 0.00 ? 3 TYR A CE2 16 ATOM 8483 C CZ . TYR A 1 3 ? 3.792 -6.702 15.679 1.00 0.00 ? 3 TYR A CZ 16 ATOM 8484 O OH . TYR A 1 3 ? 3.713 -7.803 14.799 1.00 0.00 ? 3 TYR A OH 16 ATOM 8485 H H . TYR A 1 3 ? 4.985 -0.641 18.982 1.00 0.00 ? 3 TYR A H 16 ATOM 8486 H HA . TYR A 1 3 ? 5.732 -3.382 19.445 1.00 0.00 ? 3 TYR A HA 16 ATOM 8487 H HB2 . TYR A 1 3 ? 3.274 -3.677 19.299 1.00 0.00 ? 3 TYR A HB2 16 ATOM 8488 H HB3 . TYR A 1 3 ? 3.145 -2.527 17.937 1.00 0.00 ? 3 TYR A HB3 16 ATOM 8489 H HD1 . TYR A 1 3 ? 4.990 -5.799 18.741 1.00 0.00 ? 3 TYR A HD1 16 ATOM 8490 H HD2 . TYR A 1 3 ? 2.714 -3.491 15.900 1.00 0.00 ? 3 TYR A HD2 16 ATOM 8491 H HE1 . TYR A 1 3 ? 4.936 -7.726 17.214 1.00 0.00 ? 3 TYR A HE1 16 ATOM 8492 H HE2 . TYR A 1 3 ? 2.664 -5.416 14.369 1.00 0.00 ? 3 TYR A HE2 16 ATOM 8493 H HH . TYR A 1 3 ? 4.276 -8.499 15.147 1.00 0.00 ? 3 TYR A HH 16 ATOM 8494 N N . LYS A 1 4 ? 5.462 -1.872 16.552 1.00 0.00 ? 4 LYS A N 16 ATOM 8495 C CA . LYS A 1 4 ? 6.162 -1.298 15.431 1.00 0.00 ? 4 LYS A CA 16 ATOM 8496 C C . LYS A 1 4 ? 5.041 -0.847 14.538 1.00 0.00 ? 4 LYS A C 16 ATOM 8497 O O . LYS A 1 4 ? 4.027 -1.539 14.451 1.00 0.00 ? 4 LYS A O 16 ATOM 8498 C CB . LYS A 1 4 ? 7.085 -2.338 14.694 1.00 0.00 ? 4 LYS A CB 16 ATOM 8499 C CG . LYS A 1 4 ? 8.577 -1.976 14.794 1.00 0.00 ? 4 LYS A CG 16 ATOM 8500 C CD . LYS A 1 4 ? 9.507 -3.193 14.676 1.00 0.00 ? 4 LYS A CD 16 ATOM 8501 C CE . LYS A 1 4 ? 10.986 -2.795 14.546 1.00 0.00 ? 4 LYS A CE 16 ATOM 8502 N NZ . LYS A 1 4 ? 11.887 -3.982 14.551 1.00 0.00 ? 4 LYS A NZ 16 ATOM 8503 H H . LYS A 1 4 ? 4.495 -2.049 16.356 1.00 0.00 ? 4 LYS A H 16 ATOM 8504 H HA . LYS A 1 4 ? 6.718 -0.428 15.752 1.00 0.00 ? 4 LYS A HA 16 ATOM 8505 H HB2 . LYS A 1 4 ? 6.935 -3.323 15.187 1.00 0.00 ? 4 LYS A HB2 16 ATOM 8506 H HB3 . LYS A 1 4 ? 6.855 -2.494 13.613 1.00 0.00 ? 4 LYS A HB3 16 ATOM 8507 H HG2 . LYS A 1 4 ? 8.798 -1.237 13.993 1.00 0.00 ? 4 LYS A HG2 16 ATOM 8508 H HG3 . LYS A 1 4 ? 8.773 -1.490 15.777 1.00 0.00 ? 4 LYS A HG3 16 ATOM 8509 H HD2 . LYS A 1 4 ? 9.346 -3.820 15.580 1.00 0.00 ? 4 LYS A HD2 16 ATOM 8510 H HD3 . LYS A 1 4 ? 9.198 -3.783 13.787 1.00 0.00 ? 4 LYS A HD3 16 ATOM 8511 H HE2 . LYS A 1 4 ? 11.139 -2.249 13.590 1.00 0.00 ? 4 LYS A HE2 16 ATOM 8512 H HE3 . LYS A 1 4 ? 11.286 -2.137 15.390 1.00 0.00 ? 4 LYS A HE3 16 ATOM 8513 H HZ1 . LYS A 1 4 ? 11.532 -4.724 13.912 1.00 0.00 ? 4 LYS A HZ1 16 ATOM 8514 H HZ2 . LYS A 1 4 ? 12.836 -3.695 14.232 1.00 0.00 ? 4 LYS A HZ2 16 ATOM 8515 H HZ3 . LYS A 1 4 ? 11.966 -4.370 15.514 1.00 0.00 ? 4 LYS A HZ3 16 ATOM 8516 N N . LYS A 1 5 ? 5.214 0.308 13.846 1.00 0.00 ? 5 LYS A N 16 ATOM 8517 C CA . LYS A 1 5 ? 4.426 0.782 12.729 1.00 0.00 ? 5 LYS A CA 16 ATOM 8518 C C . LYS A 1 5 ? 5.513 1.601 12.070 1.00 0.00 ? 5 LYS A C 16 ATOM 8519 O O . LYS A 1 5 ? 6.416 2.051 12.780 1.00 0.00 ? 5 LYS A O 16 ATOM 8520 C CB . LYS A 1 5 ? 3.172 1.681 13.057 1.00 0.00 ? 5 LYS A CB 16 ATOM 8521 C CG . LYS A 1 5 ? 1.810 0.937 13.168 1.00 0.00 ? 5 LYS A CG 16 ATOM 8522 C CD . LYS A 1 5 ? 1.457 0.375 14.566 1.00 0.00 ? 5 LYS A CD 16 ATOM 8523 C CE . LYS A 1 5 ? 0.824 -1.039 14.589 1.00 0.00 ? 5 LYS A CE 16 ATOM 8524 N NZ . LYS A 1 5 ? -0.534 -1.089 13.971 1.00 0.00 ? 5 LYS A NZ 16 ATOM 8525 H H . LYS A 1 5 ? 6.036 0.890 13.931 1.00 0.00 ? 5 LYS A H 16 ATOM 8526 H HA . LYS A 1 5 ? 4.166 -0.043 12.076 1.00 0.00 ? 5 LYS A HA 16 ATOM 8527 H HB2 . LYS A 1 5 ? 3.362 2.289 13.972 1.00 0.00 ? 5 LYS A HB2 16 ATOM 8528 H HB3 . LYS A 1 5 ? 3.000 2.404 12.223 1.00 0.00 ? 5 LYS A HB3 16 ATOM 8529 H HG2 . LYS A 1 5 ? 1.006 1.661 12.905 1.00 0.00 ? 5 LYS A HG2 16 ATOM 8530 H HG3 . LYS A 1 5 ? 1.804 0.129 12.403 1.00 0.00 ? 5 LYS A HG3 16 ATOM 8531 H HD2 . LYS A 1 5 ? 2.403 0.289 15.143 1.00 0.00 ? 5 LYS A HD2 16 ATOM 8532 H HD3 . LYS A 1 5 ? 0.826 1.110 15.113 1.00 0.00 ? 5 LYS A HD3 16 ATOM 8533 H HE2 . LYS A 1 5 ? 1.473 -1.746 14.028 1.00 0.00 ? 5 LYS A HE2 16 ATOM 8534 H HE3 . LYS A 1 5 ? 0.731 -1.398 15.637 1.00 0.00 ? 5 LYS A HE3 16 ATOM 8535 H HZ1 . LYS A 1 5 ? -0.458 -0.700 13.008 1.00 0.00 ? 5 LYS A HZ1 16 ATOM 8536 H HZ2 . LYS A 1 5 ? -0.867 -2.079 13.923 1.00 0.00 ? 5 LYS A HZ2 16 ATOM 8537 H HZ3 . LYS A 1 5 ? -1.228 -0.537 14.519 1.00 0.00 ? 5 LYS A HZ3 16 ATOM 8538 N N . ALA A 1 6 ? 5.483 1.742 10.711 1.00 0.00 ? 6 ALA A N 16 ATOM 8539 C CA . ALA A 1 6 ? 6.340 2.626 9.934 1.00 0.00 ? 6 ALA A CA 16 ATOM 8540 C C . ALA A 1 6 ? 5.702 3.998 9.728 1.00 0.00 ? 6 ALA A C 16 ATOM 8541 O O . ALA A 1 6 ? 5.010 4.548 10.586 1.00 0.00 ? 6 ALA A O 16 ATOM 8542 C CB . ALA A 1 6 ? 6.697 1.997 8.551 1.00 0.00 ? 6 ALA A CB 16 ATOM 8543 H H . ALA A 1 6 ? 4.793 1.270 10.172 1.00 0.00 ? 6 ALA A H 16 ATOM 8544 H HA . ALA A 1 6 ? 7.269 2.776 10.466 1.00 0.00 ? 6 ALA A HA 16 ATOM 8545 H HB1 . ALA A 1 6 ? 7.149 0.993 8.720 1.00 0.00 ? 6 ALA A HB1 16 ATOM 8546 H HB2 . ALA A 1 6 ? 5.790 1.843 7.919 1.00 0.00 ? 6 ALA A HB2 16 ATOM 8547 H HB3 . ALA A 1 6 ? 7.453 2.585 7.982 1.00 0.00 ? 6 ALA A HB3 16 ATOM 8548 N N . LYS A 1 7 ? 5.932 4.572 8.517 1.00 0.00 ? 7 LYS A N 16 ATOM 8549 C CA . LYS A 1 7 ? 5.297 5.736 7.938 1.00 0.00 ? 7 LYS A CA 16 ATOM 8550 C C . LYS A 1 7 ? 4.278 5.186 6.966 1.00 0.00 ? 7 LYS A C 16 ATOM 8551 O O . LYS A 1 7 ? 4.640 4.465 6.038 1.00 0.00 ? 7 LYS A O 16 ATOM 8552 C CB . LYS A 1 7 ? 6.279 6.687 7.192 1.00 0.00 ? 7 LYS A CB 16 ATOM 8553 C CG . LYS A 1 7 ? 7.348 7.327 8.095 1.00 0.00 ? 7 LYS A CG 16 ATOM 8554 C CD . LYS A 1 7 ? 8.638 6.517 8.347 1.00 0.00 ? 7 LYS A CD 16 ATOM 8555 C CE . LYS A 1 7 ? 9.474 7.210 9.433 1.00 0.00 ? 7 LYS A CE 16 ATOM 8556 N NZ . LYS A 1 7 ? 10.846 6.681 9.572 1.00 0.00 ? 7 LYS A NZ 16 ATOM 8557 H H . LYS A 1 7 ? 6.472 4.068 7.846 1.00 0.00 ? 7 LYS A H 16 ATOM 8558 H HA . LYS A 1 7 ? 4.783 6.297 8.709 1.00 0.00 ? 7 LYS A HA 16 ATOM 8559 H HB2 . LYS A 1 7 ? 6.780 6.181 6.338 1.00 0.00 ? 7 LYS A HB2 16 ATOM 8560 H HB3 . LYS A 1 7 ? 5.690 7.540 6.782 1.00 0.00 ? 7 LYS A HB3 16 ATOM 8561 H HG2 . LYS A 1 7 ? 7.672 8.277 7.618 1.00 0.00 ? 7 LYS A HG2 16 ATOM 8562 H HG3 . LYS A 1 7 ? 6.868 7.591 9.062 1.00 0.00 ? 7 LYS A HG3 16 ATOM 8563 H HD2 . LYS A 1 7 ? 8.390 5.488 8.681 1.00 0.00 ? 7 LYS A HD2 16 ATOM 8564 H HD3 . LYS A 1 7 ? 9.199 6.449 7.388 1.00 0.00 ? 7 LYS A HD3 16 ATOM 8565 H HE2 . LYS A 1 7 ? 9.572 8.286 9.186 1.00 0.00 ? 7 LYS A HE2 16 ATOM 8566 H HE3 . LYS A 1 7 ? 8.973 7.109 10.422 1.00 0.00 ? 7 LYS A HE3 16 ATOM 8567 H HZ1 . LYS A 1 7 ? 11.364 6.803 8.680 1.00 0.00 ? 7 LYS A HZ1 16 ATOM 8568 H HZ2 . LYS A 1 7 ? 11.302 7.240 10.321 1.00 0.00 ? 7 LYS A HZ2 16 ATOM 8569 H HZ3 . LYS A 1 7 ? 10.839 5.682 9.852 1.00 0.00 ? 7 LYS A HZ3 16 ATOM 8570 N N . GLN A 1 8 ? 2.979 5.489 7.209 1.00 0.00 ? 8 GLN A N 16 ATOM 8571 C CA . GLN A 1 8 ? 1.856 4.824 6.590 1.00 0.00 ? 8 GLN A CA 16 ATOM 8572 C C . GLN A 1 8 ? 0.803 5.886 6.410 1.00 0.00 ? 8 GLN A C 16 ATOM 8573 O O . GLN A 1 8 ? 0.470 6.245 5.285 1.00 0.00 ? 8 GLN A O 16 ATOM 8574 C CB . GLN A 1 8 ? 1.342 3.629 7.455 1.00 0.00 ? 8 GLN A CB 16 ATOM 8575 C CG . GLN A 1 8 ? 0.234 2.750 6.826 1.00 0.00 ? 8 GLN A CG 16 ATOM 8576 C CD . GLN A 1 8 ? 0.838 1.755 5.829 1.00 0.00 ? 8 GLN A CD 16 ATOM 8577 O OE1 . GLN A 1 8 ? 1.693 0.976 6.240 1.00 0.00 ? 8 GLN A OE1 16 ATOM 8578 N NE2 . GLN A 1 8 ? 0.409 1.729 4.544 1.00 0.00 ? 8 GLN A NE2 16 ATOM 8579 H H . GLN A 1 8 ? 2.749 6.194 7.880 1.00 0.00 ? 8 GLN A H 16 ATOM 8580 H HA . GLN A 1 8 ? 2.129 4.474 5.598 1.00 0.00 ? 8 GLN A HA 16 ATOM 8581 H HB2 . GLN A 1 8 ? 2.213 2.968 7.661 1.00 0.00 ? 8 GLN A HB2 16 ATOM 8582 H HB3 . GLN A 1 8 ? 0.995 3.988 8.447 1.00 0.00 ? 8 GLN A HB3 16 ATOM 8583 H HG2 . GLN A 1 8 ? -0.222 2.142 7.631 1.00 0.00 ? 8 GLN A HG2 16 ATOM 8584 H HG3 . GLN A 1 8 ? -0.570 3.362 6.367 1.00 0.00 ? 8 GLN A HG3 16 ATOM 8585 H HE21 . GLN A 1 8 ? -0.286 2.368 4.222 1.00 0.00 ? 8 GLN A HE21 16 ATOM 8586 H HE22 . GLN A 1 8 ? 0.785 1.040 3.926 1.00 0.00 ? 8 GLN A HE22 16 ATOM 8587 N N . ALA A 1 9 ? 0.267 6.468 7.522 1.00 0.00 ? 9 ALA A N 16 ATOM 8588 C CA . ALA A 1 9 ? -0.636 7.626 7.490 1.00 0.00 ? 9 ALA A CA 16 ATOM 8589 C C . ALA A 1 9 ? 0.195 8.849 7.815 1.00 0.00 ? 9 ALA A C 16 ATOM 8590 O O . ALA A 1 9 ? 1.366 8.881 7.454 1.00 0.00 ? 9 ALA A O 16 ATOM 8591 C CB . ALA A 1 9 ? -1.859 7.501 8.446 1.00 0.00 ? 9 ALA A CB 16 ATOM 8592 H H . ALA A 1 9 ? 0.533 6.157 8.428 1.00 0.00 ? 9 ALA A H 16 ATOM 8593 H HA . ALA A 1 9 ? -1.027 7.759 6.487 1.00 0.00 ? 9 ALA A HA 16 ATOM 8594 H HB1 . ALA A 1 9 ? -2.394 6.556 8.204 1.00 0.00 ? 9 ALA A HB1 16 ATOM 8595 H HB2 . ALA A 1 9 ? -1.565 7.453 9.519 1.00 0.00 ? 9 ALA A HB2 16 ATOM 8596 H HB3 . ALA A 1 9 ? -2.597 8.324 8.303 1.00 0.00 ? 9 ALA A HB3 16 ATOM 8597 N N . SER A 1 10 ? -0.348 9.870 8.530 1.00 0.00 ? 10 SER A N 16 ATOM 8598 C CA . SER A 1 10 ? 0.357 11.131 8.756 1.00 0.00 ? 10 SER A CA 16 ATOM 8599 C C . SER A 1 10 ? 0.857 11.278 10.155 1.00 0.00 ? 10 SER A C 16 ATOM 8600 O O . SER A 1 10 ? 1.202 12.377 10.572 1.00 0.00 ? 10 SER A O 16 ATOM 8601 C CB . SER A 1 10 ? -0.489 12.384 8.351 1.00 0.00 ? 10 SER A CB 16 ATOM 8602 O OG . SER A 1 10 ? -0.129 12.787 7.032 1.00 0.00 ? 10 SER A OG 16 ATOM 8603 H H . SER A 1 10 ? -1.287 9.806 8.865 1.00 0.00 ? 10 SER A H 16 ATOM 8604 H HA . SER A 1 10 ? 1.284 11.150 8.205 1.00 0.00 ? 10 SER A HA 16 ATOM 8605 H HB2 . SER A 1 10 ? -1.572 12.129 8.379 1.00 0.00 ? 10 SER A HB2 16 ATOM 8606 H HB3 . SER A 1 10 ? -0.344 13.261 9.023 1.00 0.00 ? 10 SER A HB3 16 ATOM 8607 H HG . SER A 1 10 ? -0.826 13.344 6.669 1.00 0.00 ? 10 SER A HG 16 ATOM 8608 N N . GLN A 1 11 ? 0.984 10.173 10.919 1.00 0.00 ? 11 GLN A N 16 ATOM 8609 C CA . GLN A 1 11 ? 1.258 10.217 12.348 1.00 0.00 ? 11 GLN A CA 16 ATOM 8610 C C . GLN A 1 11 ? 2.726 10.367 12.702 1.00 0.00 ? 11 GLN A C 16 ATOM 8611 O O . GLN A 1 11 ? 3.064 10.578 13.860 1.00 0.00 ? 11 GLN A O 16 ATOM 8612 C CB . GLN A 1 11 ? 0.597 9.029 13.080 1.00 0.00 ? 11 GLN A CB 16 ATOM 8613 C CG . GLN A 1 11 ? 1.110 7.610 12.763 1.00 0.00 ? 11 GLN A CG 16 ATOM 8614 C CD . GLN A 1 11 ? 2.214 7.177 13.747 1.00 0.00 ? 11 GLN A CD 16 ATOM 8615 O OE1 . GLN A 1 11 ? 2.037 7.283 14.958 1.00 0.00 ? 11 GLN A OE1 16 ATOM 8616 N NE2 . GLN A 1 11 ? 3.350 6.640 13.234 1.00 0.00 ? 11 GLN A NE2 16 ATOM 8617 H H . GLN A 1 11 ? 0.800 9.278 10.527 1.00 0.00 ? 11 GLN A H 16 ATOM 8618 H HA . GLN A 1 11 ? 0.765 11.086 12.769 1.00 0.00 ? 11 GLN A HA 16 ATOM 8619 H HB2 . GLN A 1 11 ? 0.583 9.226 14.174 1.00 0.00 ? 11 GLN A HB2 16 ATOM 8620 H HB3 . GLN A 1 11 ? -0.458 9.051 12.731 1.00 0.00 ? 11 GLN A HB3 16 ATOM 8621 H HG2 . GLN A 1 11 ? 0.255 6.918 12.898 1.00 0.00 ? 11 GLN A HG2 16 ATOM 8622 H HG3 . GLN A 1 11 ? 1.444 7.571 11.703 1.00 0.00 ? 11 GLN A HG3 16 ATOM 8623 H HE21 . GLN A 1 11 ? 3.455 6.458 12.260 1.00 0.00 ? 11 GLN A HE21 16 ATOM 8624 H HE22 . GLN A 1 11 ? 4.089 6.392 13.858 1.00 0.00 ? 11 GLN A HE22 16 ATOM 8625 N N . ASP A 1 12 ? 3.614 10.315 11.669 1.00 0.00 ? 12 ASP A N 16 ATOM 8626 C CA . ASP A 1 12 ? 5.052 10.574 11.788 1.00 0.00 ? 12 ASP A CA 16 ATOM 8627 C C . ASP A 1 12 ? 5.325 12.002 11.326 1.00 0.00 ? 12 ASP A C 16 ATOM 8628 O O . ASP A 1 12 ? 6.221 12.708 11.793 1.00 0.00 ? 12 ASP A O 16 ATOM 8629 C CB . ASP A 1 12 ? 5.865 9.565 10.911 1.00 0.00 ? 12 ASP A CB 16 ATOM 8630 C CG . ASP A 1 12 ? 7.257 9.235 11.495 1.00 0.00 ? 12 ASP A CG 16 ATOM 8631 O OD1 . ASP A 1 12 ? 7.281 8.659 12.614 1.00 0.00 ? 12 ASP A OD1 16 ATOM 8632 O OD2 . ASP A 1 12 ? 8.301 9.497 10.830 1.00 0.00 ? 12 ASP A OD2 16 ATOM 8633 H H . ASP A 1 12 ? 3.274 10.084 10.763 1.00 0.00 ? 12 ASP A H 16 ATOM 8634 H HA . ASP A 1 12 ? 5.361 10.466 12.824 1.00 0.00 ? 12 ASP A HA 16 ATOM 8635 H HB2 . ASP A 1 12 ? 5.298 8.609 10.919 1.00 0.00 ? 12 ASP A HB2 16 ATOM 8636 H HB3 . ASP A 1 12 ? 5.957 9.896 9.850 1.00 0.00 ? 12 ASP A HB3 16 ATOM 8637 N N . ALA A 1 13 ? 4.467 12.464 10.376 1.00 0.00 ? 13 ALA A N 16 ATOM 8638 C CA . ALA A 1 13 ? 4.563 13.682 9.587 1.00 0.00 ? 13 ALA A CA 16 ATOM 8639 C C . ALA A 1 13 ? 3.978 14.860 10.320 1.00 0.00 ? 13 ALA A C 16 ATOM 8640 O O . ALA A 1 13 ? 4.392 15.996 10.111 1.00 0.00 ? 13 ALA A O 16 ATOM 8641 C CB . ALA A 1 13 ? 3.799 13.545 8.239 1.00 0.00 ? 13 ALA A CB 16 ATOM 8642 H H . ALA A 1 13 ? 3.701 11.883 10.124 1.00 0.00 ? 13 ALA A H 16 ATOM 8643 H HA . ALA A 1 13 ? 5.607 13.898 9.382 1.00 0.00 ? 13 ALA A HA 16 ATOM 8644 H HB1 . ALA A 1 13 ? 2.725 13.295 8.387 1.00 0.00 ? 13 ALA A HB1 16 ATOM 8645 H HB2 . ALA A 1 13 ? 3.857 14.471 7.620 1.00 0.00 ? 13 ALA A HB2 16 ATOM 8646 H HB3 . ALA A 1 13 ? 4.248 12.728 7.634 1.00 0.00 ? 13 ALA A HB3 16 ATOM 8647 N N . GLU A 1 14 ? 2.996 14.583 11.227 1.00 0.00 ? 14 GLU A N 16 ATOM 8648 C CA . GLU A 1 14 ? 2.409 15.540 12.158 1.00 0.00 ? 14 GLU A CA 16 ATOM 8649 C C . GLU A 1 14 ? 3.163 15.568 13.478 1.00 0.00 ? 14 GLU A C 16 ATOM 8650 O O . GLU A 1 14 ? 2.999 16.473 14.295 1.00 0.00 ? 14 GLU A O 16 ATOM 8651 C CB . GLU A 1 14 ? 0.896 15.272 12.388 1.00 0.00 ? 14 GLU A CB 16 ATOM 8652 C CG . GLU A 1 14 ? 0.507 13.927 13.076 1.00 0.00 ? 14 GLU A CG 16 ATOM 8653 C CD . GLU A 1 14 ? -0.291 14.093 14.359 1.00 0.00 ? 14 GLU A CD 16 ATOM 8654 O OE1 . GLU A 1 14 ? -0.496 15.254 14.797 1.00 0.00 ? 14 GLU A OE1 16 ATOM 8655 O OE2 . GLU A 1 14 ? -0.694 13.070 14.960 1.00 0.00 ? 14 GLU A OE2 16 ATOM 8656 H H . GLU A 1 14 ? 2.636 13.642 11.276 1.00 0.00 ? 14 GLU A H 16 ATOM 8657 H HA . GLU A 1 14 ? 2.484 16.535 11.731 1.00 0.00 ? 14 GLU A HA 16 ATOM 8658 H HB2 . GLU A 1 14 ? 0.423 16.153 12.878 1.00 0.00 ? 14 GLU A HB2 16 ATOM 8659 H HB3 . GLU A 1 14 ? 0.443 15.220 11.375 1.00 0.00 ? 14 GLU A HB3 16 ATOM 8660 H HG2 . GLU A 1 14 ? -0.138 13.335 12.394 1.00 0.00 ? 14 GLU A HG2 16 ATOM 8661 H HG3 . GLU A 1 14 ? 1.404 13.316 13.309 1.00 0.00 ? 14 GLU A HG3 16 ATOM 8662 N N . GLN A 1 15 ? 4.031 14.537 13.700 1.00 0.00 ? 15 GLN A N 16 ATOM 8663 C CA . GLN A 1 15 ? 4.864 14.328 14.885 1.00 0.00 ? 15 GLN A CA 16 ATOM 8664 C C . GLN A 1 15 ? 6.209 14.987 14.728 1.00 0.00 ? 15 GLN A C 16 ATOM 8665 O O . GLN A 1 15 ? 6.764 15.557 15.664 1.00 0.00 ? 15 GLN A O 16 ATOM 8666 C CB . GLN A 1 15 ? 5.089 12.824 15.228 1.00 0.00 ? 15 GLN A CB 16 ATOM 8667 C CG . GLN A 1 15 ? 4.658 12.420 16.647 1.00 0.00 ? 15 GLN A CG 16 ATOM 8668 C CD . GLN A 1 15 ? 5.462 13.087 17.753 1.00 0.00 ? 15 GLN A CD 16 ATOM 8669 O OE1 . GLN A 1 15 ? 4.847 13.807 18.534 1.00 0.00 ? 15 GLN A OE1 16 ATOM 8670 N NE2 . GLN A 1 15 ? 6.796 12.885 17.850 1.00 0.00 ? 15 GLN A NE2 16 ATOM 8671 H H . GLN A 1 15 ? 4.100 13.831 12.996 1.00 0.00 ? 15 GLN A H 16 ATOM 8672 H HA . GLN A 1 15 ? 4.371 14.783 15.733 1.00 0.00 ? 15 GLN A HA 16 ATOM 8673 H HB2 . GLN A 1 15 ? 4.399 12.260 14.578 1.00 0.00 ? 15 GLN A HB2 16 ATOM 8674 H HB3 . GLN A 1 15 ? 6.102 12.419 14.998 1.00 0.00 ? 15 GLN A HB3 16 ATOM 8675 H HG2 . GLN A 1 15 ? 3.606 12.739 16.790 1.00 0.00 ? 15 GLN A HG2 16 ATOM 8676 H HG3 . GLN A 1 15 ? 4.737 11.323 16.759 1.00 0.00 ? 15 GLN A HG3 16 ATOM 8677 H HE21 . GLN A 1 15 ? 7.249 12.254 17.227 1.00 0.00 ? 15 GLN A HE21 16 ATOM 8678 H HE22 . GLN A 1 15 ? 7.314 13.370 18.553 1.00 0.00 ? 15 GLN A HE22 16 ATOM 8679 N N . ALA A 1 16 ? 6.770 14.963 13.483 1.00 0.00 ? 16 ALA A N 16 ATOM 8680 C CA . ALA A 1 16 ? 8.099 15.492 13.145 1.00 0.00 ? 16 ALA A CA 16 ATOM 8681 C C . ALA A 1 16 ? 8.217 17.008 13.274 1.00 0.00 ? 16 ALA A C 16 ATOM 8682 O O . ALA A 1 16 ? 9.298 17.561 13.461 1.00 0.00 ? 16 ALA A O 16 ATOM 8683 C CB . ALA A 1 16 ? 8.508 15.077 11.713 1.00 0.00 ? 16 ALA A CB 16 ATOM 8684 H H . ALA A 1 16 ? 6.346 14.398 12.764 1.00 0.00 ? 16 ALA A H 16 ATOM 8685 H HA . ALA A 1 16 ? 8.811 15.052 13.831 1.00 0.00 ? 16 ALA A HA 16 ATOM 8686 H HB1 . ALA A 1 16 ? 8.429 13.972 11.611 1.00 0.00 ? 16 ALA A HB1 16 ATOM 8687 H HB2 . ALA A 1 16 ? 7.845 15.530 10.943 1.00 0.00 ? 16 ALA A HB2 16 ATOM 8688 H HB3 . ALA A 1 16 ? 9.562 15.355 11.486 1.00 0.00 ? 16 ALA A HB3 16 ATOM 8689 N N . ALA A 1 17 ? 7.034 17.680 13.251 1.00 0.00 ? 17 ALA A N 16 ATOM 8690 C CA . ALA A 1 17 ? 6.850 19.095 13.524 1.00 0.00 ? 17 ALA A CA 16 ATOM 8691 C C . ALA A 1 17 ? 6.650 19.356 15.013 1.00 0.00 ? 17 ALA A C 16 ATOM 8692 O O . ALA A 1 17 ? 6.839 20.477 15.478 1.00 0.00 ? 17 ALA A O 16 ATOM 8693 C CB . ALA A 1 17 ? 5.670 19.698 12.716 1.00 0.00 ? 17 ALA A CB 16 ATOM 8694 H H . ALA A 1 17 ? 6.212 17.159 13.038 1.00 0.00 ? 17 ALA A H 16 ATOM 8695 H HA . ALA A 1 17 ? 7.741 19.626 13.223 1.00 0.00 ? 17 ALA A HA 16 ATOM 8696 H HB1 . ALA A 1 17 ? 5.831 19.520 11.631 1.00 0.00 ? 17 ALA A HB1 16 ATOM 8697 H HB2 . ALA A 1 17 ? 4.691 19.250 12.995 1.00 0.00 ? 17 ALA A HB2 16 ATOM 8698 H HB3 . ALA A 1 17 ? 5.606 20.801 12.870 1.00 0.00 ? 17 ALA A HB3 16 ATOM 8699 N N . LYS A 1 18 ? 6.326 18.306 15.830 1.00 0.00 ? 18 LYS A N 16 ATOM 8700 C CA . LYS A 1 18 ? 6.116 18.421 17.272 1.00 0.00 ? 18 LYS A CA 16 ATOM 8701 C C . LYS A 1 18 ? 7.457 18.404 17.977 1.00 0.00 ? 18 LYS A C 16 ATOM 8702 O O . LYS A 1 18 ? 7.679 19.118 18.945 1.00 0.00 ? 18 LYS A O 16 ATOM 8703 C CB . LYS A 1 18 ? 5.152 17.340 17.856 1.00 0.00 ? 18 LYS A CB 16 ATOM 8704 C CG . LYS A 1 18 ? 3.698 17.591 17.419 1.00 0.00 ? 18 LYS A CG 16 ATOM 8705 C CD . LYS A 1 18 ? 2.732 16.438 17.744 1.00 0.00 ? 18 LYS A CD 16 ATOM 8706 C CE . LYS A 1 18 ? 1.252 16.782 17.479 1.00 0.00 ? 18 LYS A CE 16 ATOM 8707 N NZ . LYS A 1 18 ? 0.967 16.906 16.023 1.00 0.00 ? 18 LYS A NZ 16 ATOM 8708 H H . LYS A 1 18 ? 6.285 17.353 15.501 1.00 0.00 ? 18 LYS A H 16 ATOM 8709 H HA . LYS A 1 18 ? 5.660 19.381 17.485 1.00 0.00 ? 18 LYS A HA 16 ATOM 8710 H HB2 . LYS A 1 18 ? 5.455 16.319 17.527 1.00 0.00 ? 18 LYS A HB2 16 ATOM 8711 H HB3 . LYS A 1 18 ? 5.170 17.337 18.969 1.00 0.00 ? 18 LYS A HB3 16 ATOM 8712 H HG2 . LYS A 1 18 ? 3.349 18.524 17.918 1.00 0.00 ? 18 LYS A HG2 16 ATOM 8713 H HG3 . LYS A 1 18 ? 3.683 17.779 16.326 1.00 0.00 ? 18 LYS A HG3 16 ATOM 8714 H HD2 . LYS A 1 18 ? 3.015 15.525 17.179 1.00 0.00 ? 18 LYS A HD2 16 ATOM 8715 H HD3 . LYS A 1 18 ? 2.837 16.190 18.822 1.00 0.00 ? 18 LYS A HD3 16 ATOM 8716 H HE2 . LYS A 1 18 ? 0.577 16.004 17.900 1.00 0.00 ? 18 LYS A HE2 16 ATOM 8717 H HE3 . LYS A 1 18 ? 1.014 17.756 17.959 1.00 0.00 ? 18 LYS A HE3 16 ATOM 8718 H HZ1 . LYS A 1 18 ? 1.863 16.948 15.469 1.00 0.00 ? 18 LYS A HZ1 16 ATOM 8719 H HZ2 . LYS A 1 18 ? 0.402 16.071 15.622 1.00 0.00 ? 18 LYS A HZ2 16 ATOM 8720 H HZ3 . LYS A 1 18 ? 0.393 17.745 15.822 1.00 0.00 ? 18 LYS A HZ3 16 ATOM 8721 N N . ASP A 1 19 ? 8.450 17.680 17.403 1.00 0.00 ? 19 ASP A N 16 ATOM 8722 C CA . ASP A 1 19 ? 9.831 17.628 17.877 1.00 0.00 ? 19 ASP A CA 16 ATOM 8723 C C . ASP A 1 19 ? 10.677 18.776 17.314 1.00 0.00 ? 19 ASP A C 16 ATOM 8724 O O . ASP A 1 19 ? 11.860 18.926 17.606 1.00 0.00 ? 19 ASP A O 16 ATOM 8725 C CB . ASP A 1 19 ? 10.446 16.220 17.593 1.00 0.00 ? 19 ASP A CB 16 ATOM 8726 C CG . ASP A 1 19 ? 11.287 15.744 18.777 1.00 0.00 ? 19 ASP A CG 16 ATOM 8727 O OD1 . ASP A 1 19 ? 10.819 15.887 19.941 1.00 0.00 ? 19 ASP A OD1 16 ATOM 8728 O OD2 . ASP A 1 19 ? 12.389 15.191 18.528 1.00 0.00 ? 19 ASP A OD2 16 ATOM 8729 H H . ASP A 1 19 ? 8.226 17.095 16.629 1.00 0.00 ? 19 ASP A H 16 ATOM 8730 H HA . ASP A 1 19 ? 9.813 17.775 18.954 1.00 0.00 ? 19 ASP A HA 16 ATOM 8731 H HB2 . ASP A 1 19 ? 9.613 15.491 17.532 1.00 0.00 ? 19 ASP A HB2 16 ATOM 8732 H HB3 . ASP A 1 19 ? 11.020 16.152 16.641 1.00 0.00 ? 19 ASP A HB3 16 ATOM 8733 N N . ALA A 1 20 ? 10.011 19.671 16.524 1.00 0.00 ? 20 ALA A N 16 ATOM 8734 C CA . ALA A 1 20 ? 10.474 20.998 16.147 1.00 0.00 ? 20 ALA A CA 16 ATOM 8735 C C . ALA A 1 20 ? 10.005 22.036 17.149 1.00 0.00 ? 20 ALA A C 16 ATOM 8736 O O . ALA A 1 20 ? 10.743 22.974 17.446 1.00 0.00 ? 20 ALA A O 16 ATOM 8737 C CB . ALA A 1 20 ? 10.018 21.442 14.728 1.00 0.00 ? 20 ALA A CB 16 ATOM 8738 H H . ALA A 1 20 ? 9.064 19.472 16.287 1.00 0.00 ? 20 ALA A H 16 ATOM 8739 H HA . ALA A 1 20 ? 11.559 21.008 16.152 1.00 0.00 ? 20 ALA A HA 16 ATOM 8740 H HB1 . ALA A 1 20 ? 10.333 20.670 13.996 1.00 0.00 ? 20 ALA A HB1 16 ATOM 8741 H HB2 . ALA A 1 20 ? 8.915 21.568 14.636 1.00 0.00 ? 20 ALA A HB2 16 ATOM 8742 H HB3 . ALA A 1 20 ? 10.496 22.403 14.428 1.00 0.00 ? 20 ALA A HB3 16 ATOM 8743 N N . GLU A 1 21 ? 8.748 21.894 17.690 1.00 0.00 ? 21 GLU A N 16 ATOM 8744 C CA . GLU A 1 21 ? 8.101 22.861 18.586 1.00 0.00 ? 21 GLU A CA 16 ATOM 8745 C C . GLU A 1 21 ? 8.482 22.615 20.030 1.00 0.00 ? 21 GLU A C 16 ATOM 8746 O O . GLU A 1 21 ? 8.903 23.529 20.732 1.00 0.00 ? 21 GLU A O 16 ATOM 8747 C CB . GLU A 1 21 ? 6.543 22.952 18.440 1.00 0.00 ? 21 GLU A CB 16 ATOM 8748 C CG . GLU A 1 21 ? 5.674 21.908 19.191 1.00 0.00 ? 21 GLU A CG 16 ATOM 8749 C CD . GLU A 1 21 ? 4.254 21.913 18.674 1.00 0.00 ? 21 GLU A CD 16 ATOM 8750 O OE1 . GLU A 1 21 ? 4.052 21.369 17.556 1.00 0.00 ? 21 GLU A OE1 16 ATOM 8751 O OE2 . GLU A 1 21 ? 3.375 22.451 19.397 1.00 0.00 ? 21 GLU A OE2 16 ATOM 8752 H H . GLU A 1 21 ? 8.184 21.109 17.435 1.00 0.00 ? 21 GLU A H 16 ATOM 8753 H HA . GLU A 1 21 ? 8.471 23.845 18.324 1.00 0.00 ? 21 GLU A HA 16 ATOM 8754 H HB2 . GLU A 1 21 ? 6.200 23.955 18.780 1.00 0.00 ? 21 GLU A HB2 16 ATOM 8755 H HB3 . GLU A 1 21 ? 6.312 22.879 17.352 1.00 0.00 ? 21 GLU A HB3 16 ATOM 8756 H HG2 . GLU A 1 21 ? 6.060 20.884 19.035 1.00 0.00 ? 21 GLU A HG2 16 ATOM 8757 H HG3 . GLU A 1 21 ? 5.650 22.096 20.286 1.00 0.00 ? 21 GLU A HG3 16 ATOM 8758 N N . ASN A 1 22 ? 8.452 21.317 20.471 1.00 0.00 ? 22 ASN A N 16 ATOM 8759 C CA . ASN A 1 22 ? 8.806 20.748 21.774 1.00 0.00 ? 22 ASN A CA 16 ATOM 8760 C C . ASN A 1 22 ? 10.259 20.899 22.095 1.00 0.00 ? 22 ASN A C 16 ATOM 8761 O O . ASN A 1 22 ? 10.652 20.695 23.237 1.00 0.00 ? 22 ASN A O 16 ATOM 8762 C CB . ASN A 1 22 ? 8.548 19.199 21.899 1.00 0.00 ? 22 ASN A CB 16 ATOM 8763 C CG . ASN A 1 22 ? 7.067 18.825 21.850 1.00 0.00 ? 22 ASN A CG 16 ATOM 8764 O OD1 . ASN A 1 22 ? 6.204 19.586 22.274 1.00 0.00 ? 22 ASN A OD1 16 ATOM 8765 N ND2 . ASN A 1 22 ? 6.756 17.600 21.349 1.00 0.00 ? 22 ASN A ND2 16 ATOM 8766 H H . ASN A 1 22 ? 8.090 20.597 19.867 1.00 0.00 ? 22 ASN A H 16 ATOM 8767 H HA . ASN A 1 22 ? 8.280 21.283 22.554 1.00 0.00 ? 22 ASN A HA 16 ATOM 8768 H HB2 . ASN A 1 22 ? 9.085 18.651 21.086 1.00 0.00 ? 22 ASN A HB2 16 ATOM 8769 H HB3 . ASN A 1 22 ? 8.896 18.789 22.874 1.00 0.00 ? 22 ASN A HB3 16 ATOM 8770 H HD21 . ASN A 1 22 ? 7.477 17.049 20.928 1.00 0.00 ? 22 ASN A HD21 16 ATOM 8771 H HD22 . ASN A 1 22 ? 5.805 17.305 21.316 1.00 0.00 ? 22 ASN A HD22 16 ATOM 8772 N N . ALA A 1 23 ? 11.088 21.321 21.107 1.00 0.00 ? 23 ALA A N 16 ATOM 8773 C CA . ALA A 1 23 ? 12.516 21.566 21.222 1.00 0.00 ? 23 ALA A CA 16 ATOM 8774 C C . ALA A 1 23 ? 12.823 22.865 21.946 1.00 0.00 ? 23 ALA A C 16 ATOM 8775 O O . ALA A 1 23 ? 13.836 22.981 22.623 1.00 0.00 ? 23 ALA A O 16 ATOM 8776 C CB . ALA A 1 23 ? 13.199 21.608 19.831 1.00 0.00 ? 23 ALA A CB 16 ATOM 8777 H H . ALA A 1 23 ? 10.686 21.484 20.209 1.00 0.00 ? 23 ALA A H 16 ATOM 8778 H HA . ALA A 1 23 ? 12.958 20.753 21.787 1.00 0.00 ? 23 ALA A HA 16 ATOM 8779 H HB1 . ALA A 1 23 ? 12.946 20.678 19.276 1.00 0.00 ? 23 ALA A HB1 16 ATOM 8780 H HB2 . ALA A 1 23 ? 12.853 22.467 19.209 1.00 0.00 ? 23 ALA A HB2 16 ATOM 8781 H HB3 . ALA A 1 23 ? 14.308 21.653 19.921 1.00 0.00 ? 23 ALA A HB3 16 ATOM 8782 N N . SER A 1 24 ? 11.931 23.887 21.827 1.00 0.00 ? 24 SER A N 16 ATOM 8783 C CA . SER A 1 24 ? 12.031 25.185 22.491 1.00 0.00 ? 24 SER A CA 16 ATOM 8784 C C . SER A 1 24 ? 11.330 25.218 23.833 1.00 0.00 ? 24 SER A C 16 ATOM 8785 O O . SER A 1 24 ? 11.653 26.021 24.712 1.00 0.00 ? 24 SER A O 16 ATOM 8786 C CB . SER A 1 24 ? 11.508 26.305 21.520 1.00 0.00 ? 24 SER A CB 16 ATOM 8787 O OG . SER A 1 24 ? 11.767 27.635 21.955 1.00 0.00 ? 24 SER A OG 16 ATOM 8788 H H . SER A 1 24 ? 11.114 23.774 21.256 1.00 0.00 ? 24 SER A H 16 ATOM 8789 H HA . SER A 1 24 ? 13.067 25.341 22.767 1.00 0.00 ? 24 SER A HA 16 ATOM 8790 H HB2 . SER A 1 24 ? 12.035 26.191 20.547 1.00 0.00 ? 24 SER A HB2 16 ATOM 8791 H HB3 . SER A 1 24 ? 10.413 26.201 21.325 1.00 0.00 ? 24 SER A HB3 16 ATOM 8792 H HG . SER A 1 24 ? 10.948 27.911 22.475 1.00 0.00 ? 24 SER A HG 16 ATOM 8793 N N . LYS A 1 25 ? 10.364 24.294 24.057 1.00 0.00 ? 25 LYS A N 16 ATOM 8794 C CA . LYS A 1 25 ? 9.407 24.291 25.164 1.00 0.00 ? 25 LYS A CA 16 ATOM 8795 C C . LYS A 1 25 ? 10.024 24.015 26.541 1.00 0.00 ? 25 LYS A C 16 ATOM 8796 O O . LYS A 1 25 ? 9.487 24.420 27.573 1.00 0.00 ? 25 LYS A O 16 ATOM 8797 C CB . LYS A 1 25 ? 8.311 23.230 24.867 1.00 0.00 ? 25 LYS A CB 16 ATOM 8798 C CG . LYS A 1 25 ? 7.337 23.585 23.733 1.00 0.00 ? 25 LYS A CG 16 ATOM 8799 C CD . LYS A 1 25 ? 6.352 24.744 23.962 1.00 0.00 ? 25 LYS A CD 16 ATOM 8800 C CE . LYS A 1 25 ? 5.320 24.783 22.811 1.00 0.00 ? 25 LYS A CE 16 ATOM 8801 N NZ . LYS A 1 25 ? 4.349 25.901 22.935 1.00 0.00 ? 25 LYS A NZ 16 ATOM 8802 H H . LYS A 1 25 ? 10.224 23.583 23.372 1.00 0.00 ? 25 LYS A H 16 ATOM 8803 H HA . LYS A 1 25 ? 8.947 25.272 25.219 1.00 0.00 ? 25 LYS A HA 16 ATOM 8804 H HB2 . LYS A 1 25 ? 8.821 22.285 24.555 1.00 0.00 ? 25 LYS A HB2 16 ATOM 8805 H HB3 . LYS A 1 25 ? 7.676 23.012 25.743 1.00 0.00 ? 25 LYS A HB3 16 ATOM 8806 H HG2 . LYS A 1 25 ? 7.917 23.814 22.818 1.00 0.00 ? 25 LYS A HG2 16 ATOM 8807 H HG3 . LYS A 1 25 ? 6.737 22.667 23.542 1.00 0.00 ? 25 LYS A HG3 16 ATOM 8808 H HD2 . LYS A 1 25 ? 5.848 24.590 24.943 1.00 0.00 ? 25 LYS A HD2 16 ATOM 8809 H HD3 . LYS A 1 25 ? 6.928 25.696 24.011 1.00 0.00 ? 25 LYS A HD3 16 ATOM 8810 H HE2 . LYS A 1 25 ? 5.850 24.906 21.841 1.00 0.00 ? 25 LYS A HE2 16 ATOM 8811 H HE3 . LYS A 1 25 ? 4.736 23.840 22.786 1.00 0.00 ? 25 LYS A HE3 16 ATOM 8812 H HZ1 . LYS A 1 25 ? 3.969 25.959 23.900 1.00 0.00 ? 25 LYS A HZ1 16 ATOM 8813 H HZ2 . LYS A 1 25 ? 4.859 26.778 22.705 1.00 0.00 ? 25 LYS A HZ2 16 ATOM 8814 H HZ3 . LYS A 1 25 ? 3.559 25.781 22.263 1.00 0.00 ? 25 LYS A HZ3 16 ATOM 8815 N N . GLU A 1 26 ? 11.215 23.357 26.522 1.00 0.00 ? 26 GLU A N 16 ATOM 8816 C CA . GLU A 1 26 ? 12.100 23.092 27.659 1.00 0.00 ? 26 GLU A CA 16 ATOM 8817 C C . GLU A 1 26 ? 13.015 24.284 27.979 1.00 0.00 ? 26 GLU A C 16 ATOM 8818 O O . GLU A 1 26 ? 13.477 24.452 29.105 1.00 0.00 ? 26 GLU A O 16 ATOM 8819 C CB . GLU A 1 26 ? 12.919 21.766 27.437 1.00 0.00 ? 26 GLU A CB 16 ATOM 8820 C CG . GLU A 1 26 ? 14.066 21.485 28.454 1.00 0.00 ? 26 GLU A CG 16 ATOM 8821 C CD . GLU A 1 26 ? 14.464 20.003 28.620 1.00 0.00 ? 26 GLU A CD 16 ATOM 8822 O OE1 . GLU A 1 26 ? 14.271 19.209 27.662 1.00 0.00 ? 26 GLU A OE1 16 ATOM 8823 O OE2 . GLU A 1 26 ? 14.980 19.653 29.713 1.00 0.00 ? 26 GLU A OE2 16 ATOM 8824 H H . GLU A 1 26 ? 11.507 22.998 25.637 1.00 0.00 ? 26 GLU A H 16 ATOM 8825 H HA . GLU A 1 26 ? 11.489 22.942 28.542 1.00 0.00 ? 26 GLU A HA 16 ATOM 8826 H HB2 . GLU A 1 26 ? 12.201 20.919 27.492 1.00 0.00 ? 26 GLU A HB2 16 ATOM 8827 H HB3 . GLU A 1 26 ? 13.358 21.739 26.414 1.00 0.00 ? 26 GLU A HB3 16 ATOM 8828 H HG2 . GLU A 1 26 ? 14.959 22.067 28.133 1.00 0.00 ? 26 GLU A HG2 16 ATOM 8829 H HG3 . GLU A 1 26 ? 13.744 21.857 29.447 1.00 0.00 ? 26 GLU A HG3 16 ATOM 8830 N N . ALA A 1 27 ? 13.269 25.203 27.003 1.00 0.00 ? 27 ALA A N 16 ATOM 8831 C CA . ALA A 1 27 ? 14.104 26.387 27.161 1.00 0.00 ? 27 ALA A CA 16 ATOM 8832 C C . ALA A 1 27 ? 13.277 27.578 27.615 1.00 0.00 ? 27 ALA A C 16 ATOM 8833 O O . ALA A 1 27 ? 13.685 28.321 28.507 1.00 0.00 ? 27 ALA A O 16 ATOM 8834 C CB . ALA A 1 27 ? 14.877 26.721 25.864 1.00 0.00 ? 27 ALA A CB 16 ATOM 8835 H H . ALA A 1 27 ? 12.807 25.143 26.117 1.00 0.00 ? 27 ALA A H 16 ATOM 8836 H HA . ALA A 1 27 ? 14.843 26.200 27.930 1.00 0.00 ? 27 ALA A HA 16 ATOM 8837 H HB1 . ALA A 1 27 ? 15.509 25.846 25.594 1.00 0.00 ? 27 ALA A HB1 16 ATOM 8838 H HB2 . ALA A 1 27 ? 14.189 26.918 25.009 1.00 0.00 ? 27 ALA A HB2 16 ATOM 8839 H HB3 . ALA A 1 27 ? 15.546 27.602 25.992 1.00 0.00 ? 27 ALA A HB3 16 ATOM 8840 N N . GLU A 1 28 ? 12.039 27.718 27.047 1.00 0.00 ? 28 GLU A N 16 ATOM 8841 C CA . GLU A 1 28 ? 11.025 28.727 27.391 1.00 0.00 ? 28 GLU A CA 16 ATOM 8842 C C . GLU A 1 28 ? 10.291 28.450 28.718 1.00 0.00 ? 28 GLU A C 16 ATOM 8843 O O . GLU A 1 28 ? 9.487 29.260 29.176 1.00 0.00 ? 28 GLU A O 16 ATOM 8844 C CB . GLU A 1 28 ? 9.974 28.914 26.237 1.00 0.00 ? 28 GLU A CB 16 ATOM 8845 C CG . GLU A 1 28 ? 10.499 29.695 25.006 1.00 0.00 ? 28 GLU A CG 16 ATOM 8846 C CD . GLU A 1 28 ? 9.592 29.486 23.784 1.00 0.00 ? 28 GLU A CD 16 ATOM 8847 O OE1 . GLU A 1 28 ? 9.723 28.356 23.230 1.00 0.00 ? 28 GLU A OE1 16 ATOM 8848 O OE2 . GLU A 1 28 ? 8.799 30.382 23.381 1.00 0.00 ? 28 GLU A OE2 16 ATOM 8849 H H . GLU A 1 28 ? 11.800 27.131 26.261 1.00 0.00 ? 28 GLU A H 16 ATOM 8850 H HA . GLU A 1 28 ? 11.533 29.676 27.517 1.00 0.00 ? 28 GLU A HA 16 ATOM 8851 H HB2 . GLU A 1 28 ? 9.610 27.912 25.914 1.00 0.00 ? 28 GLU A HB2 16 ATOM 8852 H HB3 . GLU A 1 28 ? 9.092 29.507 26.571 1.00 0.00 ? 28 GLU A HB3 16 ATOM 8853 H HG2 . GLU A 1 28 ? 10.545 30.779 25.246 1.00 0.00 ? 28 GLU A HG2 16 ATOM 8854 H HG3 . GLU A 1 28 ? 11.516 29.339 24.727 1.00 0.00 ? 28 GLU A HG3 16 ATOM 8855 N N . GLU A 1 29 ? 10.610 27.315 29.402 1.00 0.00 ? 29 GLU A N 16 ATOM 8856 C CA . GLU A 1 29 ? 10.079 26.872 30.689 1.00 0.00 ? 29 GLU A CA 16 ATOM 8857 C C . GLU A 1 29 ? 10.829 27.523 31.834 1.00 0.00 ? 29 GLU A C 16 ATOM 8858 O O . GLU A 1 29 ? 10.234 27.895 32.842 1.00 0.00 ? 29 GLU A O 16 ATOM 8859 C CB . GLU A 1 29 ? 10.099 25.321 30.835 1.00 0.00 ? 29 GLU A CB 16 ATOM 8860 C CG . GLU A 1 29 ? 9.600 24.723 32.184 1.00 0.00 ? 29 GLU A CG 16 ATOM 8861 C CD . GLU A 1 29 ? 10.773 24.154 32.994 1.00 0.00 ? 29 GLU A CD 16 ATOM 8862 O OE1 . GLU A 1 29 ? 11.836 24.831 33.024 1.00 0.00 ? 29 GLU A OE1 16 ATOM 8863 O OE2 . GLU A 1 29 ? 10.620 23.039 33.557 1.00 0.00 ? 29 GLU A OE2 16 ATOM 8864 H H . GLU A 1 29 ? 11.264 26.702 28.969 1.00 0.00 ? 29 GLU A H 16 ATOM 8865 H HA . GLU A 1 29 ? 9.048 27.190 30.762 1.00 0.00 ? 29 GLU A HA 16 ATOM 8866 H HB2 . GLU A 1 29 ? 9.422 24.919 30.053 1.00 0.00 ? 29 GLU A HB2 16 ATOM 8867 H HB3 . GLU A 1 29 ? 11.117 24.931 30.608 1.00 0.00 ? 29 GLU A HB3 16 ATOM 8868 H HG2 . GLU A 1 29 ? 9.062 25.464 32.811 1.00 0.00 ? 29 GLU A HG2 16 ATOM 8869 H HG3 . GLU A 1 29 ? 8.904 23.880 31.986 1.00 0.00 ? 29 GLU A HG3 16 ATOM 8870 N N . ALA A 1 30 ? 12.156 27.781 31.667 1.00 0.00 ? 30 ALA A N 16 ATOM 8871 C CA . ALA A 1 30 ? 13.043 28.353 32.680 1.00 0.00 ? 30 ALA A CA 16 ATOM 8872 C C . ALA A 1 30 ? 12.910 29.873 32.739 1.00 0.00 ? 30 ALA A C 16 ATOM 8873 O O . ALA A 1 30 ? 13.216 30.530 33.733 1.00 0.00 ? 30 ALA A O 16 ATOM 8874 C CB . ALA A 1 30 ? 14.512 27.941 32.405 1.00 0.00 ? 30 ALA A CB 16 ATOM 8875 H H . ALA A 1 30 ? 12.613 27.461 30.843 1.00 0.00 ? 30 ALA A H 16 ATOM 8876 H HA . ALA A 1 30 ? 12.761 27.954 33.650 1.00 0.00 ? 30 ALA A HA 16 ATOM 8877 H HB1 . ALA A 1 30 ? 14.566 26.829 32.402 1.00 0.00 ? 30 ALA A HB1 16 ATOM 8878 H HB2 . ALA A 1 30 ? 14.873 28.290 31.411 1.00 0.00 ? 30 ALA A HB2 16 ATOM 8879 H HB3 . ALA A 1 30 ? 15.200 28.315 33.195 1.00 0.00 ? 30 ALA A HB3 16 ATOM 8880 N N . ALA A 1 31 ? 12.310 30.432 31.654 1.00 0.00 ? 31 ALA A N 16 ATOM 8881 C CA . ALA A 1 31 ? 11.868 31.809 31.498 1.00 0.00 ? 31 ALA A CA 16 ATOM 8882 C C . ALA A 1 31 ? 10.538 32.048 32.171 1.00 0.00 ? 31 ALA A C 16 ATOM 8883 O O . ALA A 1 31 ? 10.169 33.183 32.471 1.00 0.00 ? 31 ALA A O 16 ATOM 8884 C CB . ALA A 1 31 ? 11.718 32.189 30.005 1.00 0.00 ? 31 ALA A CB 16 ATOM 8885 H H . ALA A 1 31 ? 12.082 29.813 30.906 1.00 0.00 ? 31 ALA A H 16 ATOM 8886 H HA . ALA A 1 31 ? 12.579 32.474 31.966 1.00 0.00 ? 31 ALA A HA 16 ATOM 8887 H HB1 . ALA A 1 31 ? 12.680 32.019 29.476 1.00 0.00 ? 31 ALA A HB1 16 ATOM 8888 H HB2 . ALA A 1 31 ? 10.958 31.559 29.488 1.00 0.00 ? 31 ALA A HB2 16 ATOM 8889 H HB3 . ALA A 1 31 ? 11.444 33.260 29.870 1.00 0.00 ? 31 ALA A HB3 16 ATOM 8890 N N . LYS A 1 32 ? 9.787 30.956 32.482 1.00 0.00 ? 32 LYS A N 16 ATOM 8891 C CA . LYS A 1 32 ? 8.518 31.044 33.178 1.00 0.00 ? 32 LYS A CA 16 ATOM 8892 C C . LYS A 1 32 ? 8.695 31.179 34.679 1.00 0.00 ? 32 LYS A C 16 ATOM 8893 O O . LYS A 1 32 ? 8.043 32.022 35.276 1.00 0.00 ? 32 LYS A O 16 ATOM 8894 C CB . LYS A 1 32 ? 7.602 29.818 32.884 1.00 0.00 ? 32 LYS A CB 16 ATOM 8895 C CG . LYS A 1 32 ? 6.130 29.980 33.308 1.00 0.00 ? 32 LYS A CG 16 ATOM 8896 C CD . LYS A 1 32 ? 5.346 28.668 33.378 1.00 0.00 ? 32 LYS A CD 16 ATOM 8897 C CE . LYS A 1 32 ? 5.278 27.914 32.045 1.00 0.00 ? 32 LYS A CE 16 ATOM 8898 N NZ . LYS A 1 32 ? 4.371 26.741 32.154 1.00 0.00 ? 32 LYS A NZ 16 ATOM 8899 H H . LYS A 1 32 ? 10.100 30.024 32.275 1.00 0.00 ? 32 LYS A H 16 ATOM 8900 H HA . LYS A 1 32 ? 8.009 31.943 32.840 1.00 0.00 ? 32 LYS A HA 16 ATOM 8901 H HB2 . LYS A 1 32 ? 7.620 29.643 31.789 1.00 0.00 ? 32 LYS A HB2 16 ATOM 8902 H HB3 . LYS A 1 32 ? 8.018 28.895 33.350 1.00 0.00 ? 32 LYS A HB3 16 ATOM 8903 H HG2 . LYS A 1 32 ? 6.073 30.403 34.335 1.00 0.00 ? 32 LYS A HG2 16 ATOM 8904 H HG3 . LYS A 1 32 ? 5.631 30.698 32.622 1.00 0.00 ? 32 LYS A HG3 16 ATOM 8905 H HD2 . LYS A 1 32 ? 5.817 28.035 34.165 1.00 0.00 ? 32 LYS A HD2 16 ATOM 8906 H HD3 . LYS A 1 32 ? 4.322 28.934 33.724 1.00 0.00 ? 32 LYS A HD3 16 ATOM 8907 H HE2 . LYS A 1 32 ? 4.869 28.583 31.257 1.00 0.00 ? 32 LYS A HE2 16 ATOM 8908 H HE3 . LYS A 1 32 ? 6.281 27.552 31.733 1.00 0.00 ? 32 LYS A HE3 16 ATOM 8909 H HZ1 . LYS A 1 32 ? 3.454 27.065 32.522 1.00 0.00 ? 32 LYS A HZ1 16 ATOM 8910 H HZ2 . LYS A 1 32 ? 4.238 26.278 31.231 1.00 0.00 ? 32 LYS A HZ2 16 ATOM 8911 H HZ3 . LYS A 1 32 ? 4.798 26.063 32.821 1.00 0.00 ? 32 LYS A HZ3 16 ATOM 8912 N N . GLU A 1 33 ? 9.546 30.341 35.330 1.00 0.00 ? 33 GLU A N 16 ATOM 8913 C CA . GLU A 1 33 ? 9.619 30.291 36.786 1.00 0.00 ? 33 GLU A CA 16 ATOM 8914 C C . GLU A 1 33 ? 10.793 31.060 37.373 1.00 0.00 ? 33 GLU A C 16 ATOM 8915 O O . GLU A 1 33 ? 10.924 31.148 38.591 1.00 0.00 ? 33 GLU A O 16 ATOM 8916 C CB . GLU A 1 33 ? 9.579 28.833 37.331 1.00 0.00 ? 33 GLU A CB 16 ATOM 8917 C CG . GLU A 1 33 ? 8.388 28.014 36.765 1.00 0.00 ? 33 GLU A CG 16 ATOM 8918 C CD . GLU A 1 33 ? 8.057 26.770 37.594 1.00 0.00 ? 33 GLU A CD 16 ATOM 8919 O OE1 . GLU A 1 33 ? 8.783 26.452 38.572 1.00 0.00 ? 33 GLU A OE1 16 ATOM 8920 O OE2 . GLU A 1 33 ? 7.031 26.122 37.243 1.00 0.00 ? 33 GLU A OE2 16 ATOM 8921 H H . GLU A 1 33 ? 10.071 29.645 34.844 1.00 0.00 ? 33 GLU A H 16 ATOM 8922 H HA . GLU A 1 33 ? 8.741 30.764 37.213 1.00 0.00 ? 33 GLU A HA 16 ATOM 8923 H HB2 . GLU A 1 33 ? 10.518 28.272 37.125 1.00 0.00 ? 33 GLU A HB2 16 ATOM 8924 H HB3 . GLU A 1 33 ? 9.472 28.890 38.435 1.00 0.00 ? 33 GLU A HB3 16 ATOM 8925 H HG2 . GLU A 1 33 ? 7.480 28.650 36.762 1.00 0.00 ? 33 GLU A HG2 16 ATOM 8926 H HG3 . GLU A 1 33 ? 8.598 27.695 35.724 1.00 0.00 ? 33 GLU A HG3 16 ATOM 8927 N N . ALA A 1 34 ? 11.724 31.595 36.537 1.00 0.00 ? 34 ALA A N 16 ATOM 8928 C CA . ALA A 1 34 ? 12.807 32.483 36.968 1.00 0.00 ? 34 ALA A CA 16 ATOM 8929 C C . ALA A 1 34 ? 12.475 33.970 36.903 1.00 0.00 ? 34 ALA A C 16 ATOM 8930 O O . ALA A 1 34 ? 12.728 34.716 37.846 1.00 0.00 ? 34 ALA A O 16 ATOM 8931 C CB . ALA A 1 34 ? 14.156 32.188 36.258 1.00 0.00 ? 34 ALA A CB 16 ATOM 8932 H H . ALA A 1 34 ? 11.667 31.378 35.564 1.00 0.00 ? 34 ALA A H 16 ATOM 8933 H HA . ALA A 1 34 ? 13.014 32.288 38.015 1.00 0.00 ? 34 ALA A HA 16 ATOM 8934 H HB1 . ALA A 1 34 ? 14.442 31.130 36.446 1.00 0.00 ? 34 ALA A HB1 16 ATOM 8935 H HB2 . ALA A 1 34 ? 14.091 32.332 35.161 1.00 0.00 ? 34 ALA A HB2 16 ATOM 8936 H HB3 . ALA A 1 34 ? 14.981 32.823 36.650 1.00 0.00 ? 34 ALA A HB3 16 ATOM 8937 N N . VAL A 1 35 ? 11.952 34.446 35.736 1.00 0.00 ? 35 VAL A N 16 ATOM 8938 C CA . VAL A 1 35 ? 12.018 35.822 35.239 1.00 0.00 ? 35 VAL A CA 16 ATOM 8939 C C . VAL A 1 35 ? 10.744 36.591 35.586 1.00 0.00 ? 35 VAL A C 16 ATOM 8940 O O . VAL A 1 35 ? 10.646 37.817 35.489 1.00 0.00 ? 35 VAL A O 16 ATOM 8941 C CB . VAL A 1 35 ? 12.279 35.772 33.719 1.00 0.00 ? 35 VAL A CB 16 ATOM 8942 C CG1 . VAL A 1 35 ? 12.484 37.159 33.079 1.00 0.00 ? 35 VAL A CG1 16 ATOM 8943 C CG2 . VAL A 1 35 ? 13.543 34.914 33.470 1.00 0.00 ? 35 VAL A CG2 16 ATOM 8944 H H . VAL A 1 35 ? 11.660 33.799 35.039 1.00 0.00 ? 35 VAL A H 16 ATOM 8945 H HA . VAL A 1 35 ? 12.844 36.342 35.714 1.00 0.00 ? 35 VAL A HA 16 ATOM 8946 H HB . VAL A 1 35 ? 11.431 35.280 33.194 1.00 0.00 ? 35 VAL A HB 16 ATOM 8947 H HG11 . VAL A 1 35 ? 13.306 37.706 33.586 1.00 0.00 ? 35 VAL A HG11 16 ATOM 8948 H HG12 . VAL A 1 35 ? 12.739 37.052 32.004 1.00 0.00 ? 35 VAL A HG12 16 ATOM 8949 H HG13 . VAL A 1 35 ? 11.559 37.773 33.134 1.00 0.00 ? 35 VAL A HG13 16 ATOM 8950 H HG21 . VAL A 1 35 ? 14.405 35.287 34.068 1.00 0.00 ? 35 VAL A HG21 16 ATOM 8951 H HG22 . VAL A 1 35 ? 13.378 33.843 33.715 1.00 0.00 ? 35 VAL A HG22 16 ATOM 8952 H HG23 . VAL A 1 35 ? 13.827 34.952 32.396 1.00 0.00 ? 35 VAL A HG23 16 ATOM 8953 N N . ASN A 1 36 ? 9.728 35.835 36.033 1.00 0.00 ? 36 ASN A N 16 ATOM 8954 C CA . ASN A 1 36 ? 8.455 36.291 36.511 1.00 0.00 ? 36 ASN A CA 16 ATOM 8955 C C . ASN A 1 36 ? 8.128 35.080 37.336 1.00 0.00 ? 36 ASN A C 16 ATOM 8956 O O . ASN A 1 36 ? 8.840 34.087 37.198 1.00 0.00 ? 36 ASN A O 16 ATOM 8957 C CB . ASN A 1 36 ? 7.402 36.640 35.396 1.00 0.00 ? 36 ASN A CB 16 ATOM 8958 C CG . ASN A 1 36 ? 6.744 35.459 34.653 1.00 0.00 ? 36 ASN A CG 16 ATOM 8959 O OD1 . ASN A 1 36 ? 5.576 35.203 34.939 1.00 0.00 ? 36 ASN A OD1 16 ATOM 8960 N ND2 . ASN A 1 36 ? 7.420 34.757 33.718 1.00 0.00 ? 36 ASN A ND2 16 ATOM 8961 H H . ASN A 1 36 ? 9.830 34.849 36.227 1.00 0.00 ? 36 ASN A H 16 ATOM 8962 H HA . ASN A 1 36 ? 8.591 37.129 37.180 1.00 0.00 ? 36 ASN A HA 16 ATOM 8963 H HB2 . ASN A 1 36 ? 6.565 37.198 35.871 1.00 0.00 ? 36 ASN A HB2 16 ATOM 8964 H HB3 . ASN A 1 36 ? 7.870 37.324 34.655 1.00 0.00 ? 36 ASN A HB3 16 ATOM 8965 H HD21 . ASN A 1 36 ? 8.415 34.833 33.600 1.00 0.00 ? 36 ASN A HD21 16 ATOM 8966 H HD22 . ASN A 1 36 ? 6.938 34.000 33.289 1.00 0.00 ? 36 ASN A HD22 16 ATOM 8967 N N . LEU A 1 37 ? 7.082 35.117 38.175 1.00 0.00 ? 37 LEU A N 16 ATOM 8968 C CA . LEU A 1 37 ? 6.613 33.943 38.874 1.00 0.00 ? 37 LEU A CA 16 ATOM 8969 C C . LEU A 1 37 ? 5.159 34.253 39.068 1.00 0.00 ? 37 LEU A C 16 ATOM 8970 O O . LEU A 1 37 ? 4.712 34.356 40.201 1.00 0.00 ? 37 LEU A O 16 ATOM 8971 C CB . LEU A 1 37 ? 7.281 33.675 40.276 1.00 0.00 ? 37 LEU A CB 16 ATOM 8972 C CG . LEU A 1 37 ? 8.753 33.186 40.247 1.00 0.00 ? 37 LEU A CG 16 ATOM 8973 C CD1 . LEU A 1 37 ? 9.779 34.300 40.531 1.00 0.00 ? 37 LEU A CD1 16 ATOM 8974 C CD2 . LEU A 1 37 ? 8.974 31.980 41.174 1.00 0.00 ? 37 LEU A CD2 16 ATOM 8975 H H . LEU A 1 37 ? 6.517 35.927 38.287 1.00 0.00 ? 37 LEU A H 16 ATOM 8976 H HA . LEU A 1 37 ? 6.685 33.059 38.252 1.00 0.00 ? 37 LEU A HA 16 ATOM 8977 H HB2 . LEU A 1 37 ? 7.217 34.575 40.930 1.00 0.00 ? 37 LEU A HB2 16 ATOM 8978 H HB3 . LEU A 1 37 ? 6.707 32.864 40.788 1.00 0.00 ? 37 LEU A HB3 16 ATOM 8979 H HG . LEU A 1 37 ? 8.949 32.797 39.228 1.00 0.00 ? 37 LEU A HG 16 ATOM 8980 H HD11 . LEU A 1 37 ? 9.682 35.135 39.805 1.00 0.00 ? 37 LEU A HD11 16 ATOM 8981 H HD12 . LEU A 1 37 ? 9.645 34.708 41.556 1.00 0.00 ? 37 LEU A HD12 16 ATOM 8982 H HD13 . LEU A 1 37 ? 10.813 33.895 40.448 1.00 0.00 ? 37 LEU A HD13 16 ATOM 8983 H HD21 . LEU A 1 37 ? 8.249 31.175 40.921 1.00 0.00 ? 37 LEU A HD21 16 ATOM 8984 H HD22 . LEU A 1 37 ? 9.996 31.565 41.038 1.00 0.00 ? 37 LEU A HD22 16 ATOM 8985 H HD23 . LEU A 1 37 ? 8.842 32.260 42.240 1.00 0.00 ? 37 LEU A HD23 16 ATOM 8986 N N . LYS A 1 38 ? 4.389 34.473 37.974 1.00 0.00 ? 38 LYS A N 16 ATOM 8987 C CA . LYS A 1 38 ? 2.959 34.735 38.054 1.00 0.00 ? 38 LYS A CA 16 ATOM 8988 C C . LYS A 1 38 ? 2.163 33.467 37.706 1.00 0.00 ? 38 LYS A C 16 ATOM 8989 O O . LYS A 1 38 ? 1.064 33.286 38.303 1.00 0.00 ? 38 LYS A O 16 ATOM 8990 C CB . LYS A 1 38 ? 2.461 35.801 37.057 1.00 0.00 ? 38 LYS A CB 16 ATOM 8991 C CG . LYS A 1 38 ? 3.149 37.160 37.190 1.00 0.00 ? 38 LYS A CG 16 ATOM 8992 C CD . LYS A 1 38 ? 2.459 38.215 36.314 1.00 0.00 ? 38 LYS A CD 16 ATOM 8993 C CE . LYS A 1 38 ? 3.258 39.509 36.136 1.00 0.00 ? 38 LYS A CE 16 ATOM 8994 N NZ . LYS A 1 38 ? 3.515 40.166 37.445 1.00 0.00 ? 38 LYS A NZ 16 ATOM 8995 O OXT . LYS A 1 38 ? 2.587 32.738 36.776 1.00 0.00 ? 38 LYS A OXT 16 ATOM 8996 H H . LYS A 1 38 ? 4.752 34.372 37.045 1.00 0.00 ? 38 LYS A H 16 ATOM 8997 H HA . LYS A 1 38 ? 2.678 35.048 39.054 1.00 0.00 ? 38 LYS A HA 16 ATOM 8998 H HB2 . LYS A 1 38 ? 2.598 35.427 36.019 1.00 0.00 ? 38 LYS A HB2 16 ATOM 8999 H HB3 . LYS A 1 38 ? 1.371 35.936 37.228 1.00 0.00 ? 38 LYS A HB3 16 ATOM 9000 H HG2 . LYS A 1 38 ? 3.138 37.453 38.263 1.00 0.00 ? 38 LYS A HG2 16 ATOM 9001 H HG3 . LYS A 1 38 ? 4.204 37.030 36.863 1.00 0.00 ? 38 LYS A HG3 16 ATOM 9002 H HD2 . LYS A 1 38 ? 2.335 37.764 35.304 1.00 0.00 ? 38 LYS A HD2 16 ATOM 9003 H HD3 . LYS A 1 38 ? 1.437 38.412 36.714 1.00 0.00 ? 38 LYS A HD3 16 ATOM 9004 H HE2 . LYS A 1 38 ? 4.236 39.281 35.665 1.00 0.00 ? 38 LYS A HE2 16 ATOM 9005 H HE3 . LYS A 1 38 ? 2.697 40.218 35.491 1.00 0.00 ? 38 LYS A HE3 16 ATOM 9006 H HZ1 . LYS A 1 38 ? 3.962 39.461 38.067 1.00 0.00 ? 38 LYS A HZ1 16 ATOM 9007 H HZ2 . LYS A 1 38 ? 4.171 40.963 37.309 1.00 0.00 ? 38 LYS A HZ2 16 ATOM 9008 H HZ3 . LYS A 1 38 ? 2.619 40.493 37.870 1.00 0.00 ? 38 LYS A HZ3 16 ATOM 9009 N N . GLU A 1 1 ? 5.977 21.950 -4.280 1.00 0.00 ? 1 GLU A N 17 ATOM 9010 C CA . GLU A 1 1 ? 5.865 21.498 -2.873 1.00 0.00 ? 1 GLU A CA 17 ATOM 9011 C C . GLU A 1 1 ? 7.194 21.555 -2.180 1.00 0.00 ? 1 GLU A C 17 ATOM 9012 O O . GLU A 1 1 ? 8.052 20.705 -2.396 1.00 0.00 ? 1 GLU A O 17 ATOM 9013 C CB . GLU A 1 1 ? 5.240 20.059 -2.874 1.00 0.00 ? 1 GLU A CB 17 ATOM 9014 C CG . GLU A 1 1 ? 3.685 20.040 -2.971 1.00 0.00 ? 1 GLU A CG 17 ATOM 9015 C CD . GLU A 1 1 ? 3.137 21.157 -3.856 1.00 0.00 ? 1 GLU A CD 17 ATOM 9016 O OE1 . GLU A 1 1 ? 3.628 21.261 -5.014 1.00 0.00 ? 1 GLU A OE1 17 ATOM 9017 O OE2 . GLU A 1 1 ? 2.361 21.995 -3.335 1.00 0.00 ? 1 GLU A OE2 17 ATOM 9018 H H1 . GLU A 1 1 ? 6.727 21.411 -4.764 1.00 0.00 ? 1 GLU A H1 17 ATOM 9019 H H2 . GLU A 1 1 ? 5.045 21.733 -4.740 1.00 0.00 ? 1 GLU A H2 17 ATOM 9020 H H3 . GLU A 1 1 ? 6.170 22.965 -4.336 1.00 0.00 ? 1 GLU A H3 17 ATOM 9021 H HA . GLU A 1 1 ? 5.204 22.178 -2.356 1.00 0.00 ? 1 GLU A HA 17 ATOM 9022 H HB2 . GLU A 1 1 ? 5.671 19.459 -3.708 1.00 0.00 ? 1 GLU A HB2 17 ATOM 9023 H HB3 . GLU A 1 1 ? 5.478 19.505 -1.936 1.00 0.00 ? 1 GLU A HB3 17 ATOM 9024 H HG2 . GLU A 1 1 ? 3.312 19.054 -3.319 1.00 0.00 ? 1 GLU A HG2 17 ATOM 9025 H HG3 . GLU A 1 1 ? 3.282 20.236 -1.959 1.00 0.00 ? 1 GLU A HG3 17 ATOM 9026 N N . ALA A 1 2 ? 7.375 22.568 -1.302 1.00 0.00 ? 2 ALA A N 17 ATOM 9027 C CA . ALA A 1 2 ? 8.428 22.631 -0.325 1.00 0.00 ? 2 ALA A CA 17 ATOM 9028 C C . ALA A 1 2 ? 7.982 23.835 0.456 1.00 0.00 ? 2 ALA A C 17 ATOM 9029 O O . ALA A 1 2 ? 7.230 24.644 -0.088 1.00 0.00 ? 2 ALA A O 17 ATOM 9030 C CB . ALA A 1 2 ? 9.858 22.847 -0.901 1.00 0.00 ? 2 ALA A CB 17 ATOM 9031 H H . ALA A 1 2 ? 6.742 23.338 -1.160 1.00 0.00 ? 2 ALA A H 17 ATOM 9032 H HA . ALA A 1 2 ? 8.375 21.752 0.305 1.00 0.00 ? 2 ALA A HA 17 ATOM 9033 H HB1 . ALA A 1 2 ? 9.925 23.763 -1.532 1.00 0.00 ? 2 ALA A HB1 17 ATOM 9034 H HB2 . ALA A 1 2 ? 10.611 22.918 -0.084 1.00 0.00 ? 2 ALA A HB2 17 ATOM 9035 H HB3 . ALA A 1 2 ? 10.137 21.980 -1.539 1.00 0.00 ? 2 ALA A HB3 17 ATOM 9036 N N . TYR A 1 3 ? 8.396 23.959 1.751 1.00 0.00 ? 3 TYR A N 17 ATOM 9037 C CA . TYR A 1 3 ? 8.242 25.109 2.658 1.00 0.00 ? 3 TYR A CA 17 ATOM 9038 C C . TYR A 1 3 ? 6.816 25.295 3.196 1.00 0.00 ? 3 TYR A C 17 ATOM 9039 O O . TYR A 1 3 ? 6.485 26.304 3.811 1.00 0.00 ? 3 TYR A O 17 ATOM 9040 C CB . TYR A 1 3 ? 8.883 26.466 2.131 1.00 0.00 ? 3 TYR A CB 17 ATOM 9041 C CG . TYR A 1 3 ? 8.892 27.609 3.150 1.00 0.00 ? 3 TYR A CG 17 ATOM 9042 C CD1 . TYR A 1 3 ? 9.540 27.479 4.396 1.00 0.00 ? 3 TYR A CD1 17 ATOM 9043 C CD2 . TYR A 1 3 ? 8.056 28.729 2.945 1.00 0.00 ? 3 TYR A CD2 17 ATOM 9044 C CE1 . TYR A 1 3 ? 9.290 28.393 5.432 1.00 0.00 ? 3 TYR A CE1 17 ATOM 9045 C CE2 . TYR A 1 3 ? 7.808 29.648 3.976 1.00 0.00 ? 3 TYR A CE2 17 ATOM 9046 C CZ . TYR A 1 3 ? 8.418 29.474 5.226 1.00 0.00 ? 3 TYR A CZ 17 ATOM 9047 O OH . TYR A 1 3 ? 8.129 30.350 6.297 1.00 0.00 ? 3 TYR A OH 17 ATOM 9048 H H . TYR A 1 3 ? 8.938 23.218 2.138 1.00 0.00 ? 3 TYR A H 17 ATOM 9049 H HA . TYR A 1 3 ? 8.835 24.825 3.514 1.00 0.00 ? 3 TYR A HA 17 ATOM 9050 H HB2 . TYR A 1 3 ? 9.942 26.292 1.837 1.00 0.00 ? 3 TYR A HB2 17 ATOM 9051 H HB3 . TYR A 1 3 ? 8.341 26.815 1.224 1.00 0.00 ? 3 TYR A HB3 17 ATOM 9052 H HD1 . TYR A 1 3 ? 10.174 26.626 4.588 1.00 0.00 ? 3 TYR A HD1 17 ATOM 9053 H HD2 . TYR A 1 3 ? 7.521 28.830 2.012 1.00 0.00 ? 3 TYR A HD2 17 ATOM 9054 H HE1 . TYR A 1 3 ? 9.746 28.247 6.401 1.00 0.00 ? 3 TYR A HE1 17 ATOM 9055 H HE2 . TYR A 1 3 ? 7.104 30.449 3.803 1.00 0.00 ? 3 TYR A HE2 17 ATOM 9056 H HH . TYR A 1 3 ? 7.543 31.037 5.977 1.00 0.00 ? 3 TYR A HH 17 ATOM 9057 N N . LYS A 1 4 ? 5.896 24.332 2.984 1.00 0.00 ? 4 LYS A N 17 ATOM 9058 C CA . LYS A 1 4 ? 4.485 24.498 3.272 1.00 0.00 ? 4 LYS A CA 17 ATOM 9059 C C . LYS A 1 4 ? 4.228 23.881 4.610 1.00 0.00 ? 4 LYS A C 17 ATOM 9060 O O . LYS A 1 4 ? 4.777 22.834 4.930 1.00 0.00 ? 4 LYS A O 17 ATOM 9061 C CB . LYS A 1 4 ? 3.553 23.899 2.174 1.00 0.00 ? 4 LYS A CB 17 ATOM 9062 C CG . LYS A 1 4 ? 3.671 24.603 0.798 1.00 0.00 ? 4 LYS A CG 17 ATOM 9063 C CD . LYS A 1 4 ? 2.857 25.905 0.622 1.00 0.00 ? 4 LYS A CD 17 ATOM 9064 C CE . LYS A 1 4 ? 3.316 27.136 1.438 1.00 0.00 ? 4 LYS A CE 17 ATOM 9065 N NZ . LYS A 1 4 ? 2.628 28.359 0.972 1.00 0.00 ? 4 LYS A NZ 17 ATOM 9066 H H . LYS A 1 4 ? 6.151 23.473 2.557 1.00 0.00 ? 4 LYS A H 17 ATOM 9067 H HA . LYS A 1 4 ? 4.245 25.543 3.380 1.00 0.00 ? 4 LYS A HA 17 ATOM 9068 H HB2 . LYS A 1 4 ? 3.826 22.829 2.020 1.00 0.00 ? 4 LYS A HB2 17 ATOM 9069 H HB3 . LYS A 1 4 ? 2.481 23.929 2.477 1.00 0.00 ? 4 LYS A HB3 17 ATOM 9070 H HG2 . LYS A 1 4 ? 4.739 24.778 0.526 1.00 0.00 ? 4 LYS A HG2 17 ATOM 9071 H HG3 . LYS A 1 4 ? 3.254 23.897 0.041 1.00 0.00 ? 4 LYS A HG3 17 ATOM 9072 H HD2 . LYS A 1 4 ? 2.946 26.141 -0.464 1.00 0.00 ? 4 LYS A HD2 17 ATOM 9073 H HD3 . LYS A 1 4 ? 1.787 25.673 0.834 1.00 0.00 ? 4 LYS A HD3 17 ATOM 9074 H HE2 . LYS A 1 4 ? 3.068 27.016 2.513 1.00 0.00 ? 4 LYS A HE2 17 ATOM 9075 H HE3 . LYS A 1 4 ? 4.411 27.303 1.331 1.00 0.00 ? 4 LYS A HE3 17 ATOM 9076 H HZ1 . LYS A 1 4 ? 1.607 28.175 0.892 1.00 0.00 ? 4 LYS A HZ1 17 ATOM 9077 H HZ2 . LYS A 1 4 ? 2.805 29.146 1.634 1.00 0.00 ? 4 LYS A HZ2 17 ATOM 9078 H HZ3 . LYS A 1 4 ? 3.012 28.591 0.033 1.00 0.00 ? 4 LYS A HZ3 17 ATOM 9079 N N . LYS A 1 5 ? 3.421 24.583 5.437 1.00 0.00 ? 5 LYS A N 17 ATOM 9080 C CA . LYS A 1 5 ? 3.200 24.281 6.836 1.00 0.00 ? 5 LYS A CA 17 ATOM 9081 C C . LYS A 1 5 ? 1.758 23.846 6.996 1.00 0.00 ? 5 LYS A C 17 ATOM 9082 O O . LYS A 1 5 ? 1.317 23.488 8.082 1.00 0.00 ? 5 LYS A O 17 ATOM 9083 C CB . LYS A 1 5 ? 3.542 25.501 7.750 1.00 0.00 ? 5 LYS A CB 17 ATOM 9084 C CG . LYS A 1 5 ? 4.988 26.032 7.579 1.00 0.00 ? 5 LYS A CG 17 ATOM 9085 C CD . LYS A 1 5 ? 6.062 24.955 7.826 1.00 0.00 ? 5 LYS A CD 17 ATOM 9086 C CE . LYS A 1 5 ? 7.518 25.430 7.703 1.00 0.00 ? 5 LYS A CE 17 ATOM 9087 N NZ . LYS A 1 5 ? 8.427 24.263 7.878 1.00 0.00 ? 5 LYS A NZ 17 ATOM 9088 H H . LYS A 1 5 ? 3.007 25.440 5.150 1.00 0.00 ? 5 LYS A H 17 ATOM 9089 H HA . LYS A 1 5 ? 3.832 23.465 7.154 1.00 0.00 ? 5 LYS A HA 17 ATOM 9090 H HB2 . LYS A 1 5 ? 2.848 26.349 7.564 1.00 0.00 ? 5 LYS A HB2 17 ATOM 9091 H HB3 . LYS A 1 5 ? 3.422 25.208 8.818 1.00 0.00 ? 5 LYS A HB3 17 ATOM 9092 H HG2 . LYS A 1 5 ? 5.126 26.446 6.556 1.00 0.00 ? 5 LYS A HG2 17 ATOM 9093 H HG3 . LYS A 1 5 ? 5.137 26.865 8.302 1.00 0.00 ? 5 LYS A HG3 17 ATOM 9094 H HD2 . LYS A 1 5 ? 5.884 24.535 8.842 1.00 0.00 ? 5 LYS A HD2 17 ATOM 9095 H HD3 . LYS A 1 5 ? 5.907 24.144 7.080 1.00 0.00 ? 5 LYS A HD3 17 ATOM 9096 H HE2 . LYS A 1 5 ? 7.711 25.866 6.697 1.00 0.00 ? 5 LYS A HE2 17 ATOM 9097 H HE3 . LYS A 1 5 ? 7.761 26.187 8.482 1.00 0.00 ? 5 LYS A HE3 17 ATOM 9098 H HZ1 . LYS A 1 5 ? 8.211 23.799 8.785 1.00 0.00 ? 5 LYS A HZ1 17 ATOM 9099 H HZ2 . LYS A 1 5 ? 8.257 23.576 7.113 1.00 0.00 ? 5 LYS A HZ2 17 ATOM 9100 H HZ3 . LYS A 1 5 ? 9.423 24.568 7.880 1.00 0.00 ? 5 LYS A HZ3 17 ATOM 9101 N N . ALA A 1 6 ? 1.010 23.857 5.863 1.00 0.00 ? 6 ALA A N 17 ATOM 9102 C CA . ALA A 1 6 ? -0.376 23.454 5.729 1.00 0.00 ? 6 ALA A CA 17 ATOM 9103 C C . ALA A 1 6 ? -0.505 21.990 5.368 1.00 0.00 ? 6 ALA A C 17 ATOM 9104 O O . ALA A 1 6 ? -1.177 21.224 6.050 1.00 0.00 ? 6 ALA A O 17 ATOM 9105 C CB . ALA A 1 6 ? -1.106 24.294 4.651 1.00 0.00 ? 6 ALA A CB 17 ATOM 9106 H H . ALA A 1 6 ? 1.461 24.109 5.019 1.00 0.00 ? 6 ALA A H 17 ATOM 9107 H HA . ALA A 1 6 ? -0.879 23.590 6.680 1.00 0.00 ? 6 ALA A HA 17 ATOM 9108 H HB1 . ALA A 1 6 ? -1.068 25.372 4.914 1.00 0.00 ? 6 ALA A HB1 17 ATOM 9109 H HB2 . ALA A 1 6 ? -0.648 24.182 3.645 1.00 0.00 ? 6 ALA A HB2 17 ATOM 9110 H HB3 . ALA A 1 6 ? -2.182 24.018 4.573 1.00 0.00 ? 6 ALA A HB3 17 ATOM 9111 N N . LYS A 1 7 ? 0.123 21.574 4.234 1.00 0.00 ? 7 LYS A N 17 ATOM 9112 C CA . LYS A 1 7 ? 0.122 20.219 3.725 1.00 0.00 ? 7 LYS A CA 17 ATOM 9113 C C . LYS A 1 7 ? 1.449 19.614 4.121 1.00 0.00 ? 7 LYS A C 17 ATOM 9114 O O . LYS A 1 7 ? 2.418 20.354 4.289 1.00 0.00 ? 7 LYS A O 17 ATOM 9115 C CB . LYS A 1 7 ? -0.084 20.194 2.190 1.00 0.00 ? 7 LYS A CB 17 ATOM 9116 C CG . LYS A 1 7 ? -0.842 18.964 1.693 1.00 0.00 ? 7 LYS A CG 17 ATOM 9117 C CD . LYS A 1 7 ? -0.830 18.863 0.170 1.00 0.00 ? 7 LYS A CD 17 ATOM 9118 C CE . LYS A 1 7 ? -1.669 17.696 -0.380 1.00 0.00 ? 7 LYS A CE 17 ATOM 9119 N NZ . LYS A 1 7 ? -1.208 17.320 -1.741 1.00 0.00 ? 7 LYS A NZ 17 ATOM 9120 H H . LYS A 1 7 ? 0.747 22.162 3.735 1.00 0.00 ? 7 LYS A H 17 ATOM 9121 H HA . LYS A 1 7 ? -0.672 19.651 4.199 1.00 0.00 ? 7 LYS A HA 17 ATOM 9122 H HB2 . LYS A 1 7 ? -0.732 21.051 1.912 1.00 0.00 ? 7 LYS A HB2 17 ATOM 9123 H HB3 . LYS A 1 7 ? 0.872 20.321 1.633 1.00 0.00 ? 7 LYS A HB3 17 ATOM 9124 H HG2 . LYS A 1 7 ? -0.382 18.047 2.119 1.00 0.00 ? 7 LYS A HG2 17 ATOM 9125 H HG3 . LYS A 1 7 ? -1.893 19.030 2.053 1.00 0.00 ? 7 LYS A HG3 17 ATOM 9126 H HD2 . LYS A 1 7 ? -1.199 19.822 -0.261 1.00 0.00 ? 7 LYS A HD2 17 ATOM 9127 H HD3 . LYS A 1 7 ? 0.243 18.762 -0.099 1.00 0.00 ? 7 LYS A HD3 17 ATOM 9128 H HE2 . LYS A 1 7 ? -1.565 16.792 0.258 1.00 0.00 ? 7 LYS A HE2 17 ATOM 9129 H HE3 . LYS A 1 7 ? -2.743 17.982 -0.431 1.00 0.00 ? 7 LYS A HE3 17 ATOM 9130 H HZ1 . LYS A 1 7 ? -1.071 18.179 -2.312 1.00 0.00 ? 7 LYS A HZ1 17 ATOM 9131 H HZ2 . LYS A 1 7 ? -0.301 16.821 -1.631 1.00 0.00 ? 7 LYS A HZ2 17 ATOM 9132 H HZ3 . LYS A 1 7 ? -1.891 16.698 -2.222 1.00 0.00 ? 7 LYS A HZ3 17 ATOM 9133 N N . GLN A 1 8 ? 1.525 18.277 4.287 1.00 0.00 ? 8 GLN A N 17 ATOM 9134 C CA . GLN A 1 8 ? 2.671 17.607 4.841 1.00 0.00 ? 8 GLN A CA 17 ATOM 9135 C C . GLN A 1 8 ? 2.434 16.220 4.360 1.00 0.00 ? 8 GLN A C 17 ATOM 9136 O O . GLN A 1 8 ? 1.497 16.004 3.590 1.00 0.00 ? 8 GLN A O 17 ATOM 9137 C CB . GLN A 1 8 ? 2.740 17.711 6.395 1.00 0.00 ? 8 GLN A CB 17 ATOM 9138 C CG . GLN A 1 8 ? 3.758 18.779 6.835 1.00 0.00 ? 8 GLN A CG 17 ATOM 9139 C CD . GLN A 1 8 ? 3.217 19.488 8.064 1.00 0.00 ? 8 GLN A CD 17 ATOM 9140 O OE1 . GLN A 1 8 ? 2.891 18.835 9.046 1.00 0.00 ? 8 GLN A OE1 17 ATOM 9141 N NE2 . GLN A 1 8 ? 3.066 20.825 8.004 1.00 0.00 ? 8 GLN A NE2 17 ATOM 9142 H H . GLN A 1 8 ? 0.814 17.631 3.994 1.00 0.00 ? 8 GLN A H 17 ATOM 9143 H HA . GLN A 1 8 ? 3.584 17.961 4.376 1.00 0.00 ? 8 GLN A HA 17 ATOM 9144 H HB2 . GLN A 1 8 ? 1.717 17.977 6.750 1.00 0.00 ? 8 GLN A HB2 17 ATOM 9145 H HB3 . GLN A 1 8 ? 3.013 16.781 6.938 1.00 0.00 ? 8 GLN A HB3 17 ATOM 9146 H HG2 . GLN A 1 8 ? 4.741 18.324 7.069 1.00 0.00 ? 8 GLN A HG2 17 ATOM 9147 H HG3 . GLN A 1 8 ? 3.914 19.508 6.009 1.00 0.00 ? 8 GLN A HG3 17 ATOM 9148 H HE21 . GLN A 1 8 ? 3.270 21.305 7.157 1.00 0.00 ? 8 GLN A HE21 17 ATOM 9149 H HE22 . GLN A 1 8 ? 2.559 21.281 8.736 1.00 0.00 ? 8 GLN A HE22 17 ATOM 9150 N N . ALA A 1 9 ? 3.296 15.264 4.797 1.00 0.00 ? 9 ALA A N 17 ATOM 9151 C CA . ALA A 1 9 ? 3.480 13.961 4.189 1.00 0.00 ? 9 ALA A CA 17 ATOM 9152 C C . ALA A 1 9 ? 2.520 12.936 4.732 1.00 0.00 ? 9 ALA A C 17 ATOM 9153 O O . ALA A 1 9 ? 1.897 12.240 3.939 1.00 0.00 ? 9 ALA A O 17 ATOM 9154 C CB . ALA A 1 9 ? 4.936 13.435 4.338 1.00 0.00 ? 9 ALA A CB 17 ATOM 9155 H H . ALA A 1 9 ? 3.958 15.475 5.512 1.00 0.00 ? 9 ALA A H 17 ATOM 9156 H HA . ALA A 1 9 ? 3.294 14.035 3.121 1.00 0.00 ? 9 ALA A HA 17 ATOM 9157 H HB1 . ALA A 1 9 ? 5.643 14.141 3.851 1.00 0.00 ? 9 ALA A HB1 17 ATOM 9158 H HB2 . ALA A 1 9 ? 5.251 13.325 5.397 1.00 0.00 ? 9 ALA A HB2 17 ATOM 9159 H HB3 . ALA A 1 9 ? 5.066 12.450 3.836 1.00 0.00 ? 9 ALA A HB3 17 ATOM 9160 N N . SER A 1 10 ? 2.366 12.813 6.066 1.00 0.00 ? 10 SER A N 17 ATOM 9161 C CA . SER A 1 10 ? 1.595 11.769 6.703 1.00 0.00 ? 10 SER A CA 17 ATOM 9162 C C . SER A 1 10 ? 1.935 12.047 8.125 1.00 0.00 ? 10 SER A C 17 ATOM 9163 O O . SER A 1 10 ? 2.482 13.121 8.398 1.00 0.00 ? 10 SER A O 17 ATOM 9164 C CB . SER A 1 10 ? 1.969 10.291 6.300 1.00 0.00 ? 10 SER A CB 17 ATOM 9165 O OG . SER A 1 10 ? 1.394 9.968 5.043 1.00 0.00 ? 10 SER A OG 17 ATOM 9166 H H . SER A 1 10 ? 2.761 13.442 6.747 1.00 0.00 ? 10 SER A H 17 ATOM 9167 H HA . SER A 1 10 ? 0.544 11.964 6.579 1.00 0.00 ? 10 SER A HA 17 ATOM 9168 H HB2 . SER A 1 10 ? 3.077 10.181 6.222 1.00 0.00 ? 10 SER A HB2 17 ATOM 9169 H HB3 . SER A 1 10 ? 1.583 9.524 7.011 1.00 0.00 ? 10 SER A HB3 17 ATOM 9170 H HG . SER A 1 10 ? 1.524 10.759 4.467 1.00 0.00 ? 10 SER A HG 17 ATOM 9171 N N . GLN A 1 11 ? 1.721 11.043 9.035 1.00 0.00 ? 11 GLN A N 17 ATOM 9172 C CA . GLN A 1 11 ? 1.951 11.065 10.481 1.00 0.00 ? 11 GLN A CA 17 ATOM 9173 C C . GLN A 1 11 ? 3.410 11.238 10.867 1.00 0.00 ? 11 GLN A C 17 ATOM 9174 O O . GLN A 1 11 ? 3.747 11.731 11.937 1.00 0.00 ? 11 GLN A O 17 ATOM 9175 C CB . GLN A 1 11 ? 1.447 9.766 11.175 1.00 0.00 ? 11 GLN A CB 17 ATOM 9176 C CG . GLN A 1 11 ? 1.989 8.444 10.567 1.00 0.00 ? 11 GLN A CG 17 ATOM 9177 C CD . GLN A 1 11 ? 2.145 7.406 11.672 1.00 0.00 ? 11 GLN A CD 17 ATOM 9178 O OE1 . GLN A 1 11 ? 1.242 7.315 12.497 1.00 0.00 ? 11 GLN A OE1 17 ATOM 9179 N NE2 . GLN A 1 11 ? 3.247 6.615 11.728 1.00 0.00 ? 11 GLN A NE2 17 ATOM 9180 H H . GLN A 1 11 ? 1.298 10.193 8.734 1.00 0.00 ? 11 GLN A H 17 ATOM 9181 H HA . GLN A 1 11 ? 1.395 11.900 10.889 1.00 0.00 ? 11 GLN A HA 17 ATOM 9182 H HB2 . GLN A 1 11 ? 1.658 9.830 12.272 1.00 0.00 ? 11 GLN A HB2 17 ATOM 9183 H HB3 . GLN A 1 11 ? 0.340 9.716 11.098 1.00 0.00 ? 11 GLN A HB3 17 ATOM 9184 H HG2 . GLN A 1 11 ? 1.259 8.051 9.829 1.00 0.00 ? 11 GLN A HG2 17 ATOM 9185 H HG3 . GLN A 1 11 ? 2.957 8.560 10.039 1.00 0.00 ? 11 GLN A HG3 17 ATOM 9186 H HE21 . GLN A 1 11 ? 4.024 6.842 11.123 1.00 0.00 ? 11 GLN A HE21 17 ATOM 9187 H HE22 . GLN A 1 11 ? 3.325 5.939 12.459 1.00 0.00 ? 11 GLN A HE22 17 ATOM 9188 N N . ASP A 1 12 ? 4.309 10.912 9.910 1.00 0.00 ? 12 ASP A N 17 ATOM 9189 C CA . ASP A 1 12 ? 5.755 10.976 9.978 1.00 0.00 ? 12 ASP A CA 17 ATOM 9190 C C . ASP A 1 12 ? 6.253 12.398 9.841 1.00 0.00 ? 12 ASP A C 17 ATOM 9191 O O . ASP A 1 12 ? 7.381 12.713 10.206 1.00 0.00 ? 12 ASP A O 17 ATOM 9192 C CB . ASP A 1 12 ? 6.380 10.141 8.829 1.00 0.00 ? 12 ASP A CB 17 ATOM 9193 C CG . ASP A 1 12 ? 6.063 8.649 9.000 1.00 0.00 ? 12 ASP A CG 17 ATOM 9194 O OD1 . ASP A 1 12 ? 5.298 8.244 9.923 1.00 0.00 ? 12 ASP A OD1 17 ATOM 9195 O OD2 . ASP A 1 12 ? 6.576 7.890 8.145 1.00 0.00 ? 12 ASP A OD2 17 ATOM 9196 H H . ASP A 1 12 ? 3.985 10.419 9.109 1.00 0.00 ? 12 ASP A H 17 ATOM 9197 H HA . ASP A 1 12 ? 6.088 10.581 10.932 1.00 0.00 ? 12 ASP A HA 17 ATOM 9198 H HB2 . ASP A 1 12 ? 5.967 10.460 7.845 1.00 0.00 ? 12 ASP A HB2 17 ATOM 9199 H HB3 . ASP A 1 12 ? 7.486 10.249 8.782 1.00 0.00 ? 12 ASP A HB3 17 ATOM 9200 N N . ALA A 1 13 ? 5.374 13.301 9.328 1.00 0.00 ? 13 ALA A N 17 ATOM 9201 C CA . ALA A 1 13 ? 5.620 14.725 9.217 1.00 0.00 ? 13 ALA A CA 17 ATOM 9202 C C . ALA A 1 13 ? 4.863 15.435 10.318 1.00 0.00 ? 13 ALA A C 17 ATOM 9203 O O . ALA A 1 13 ? 5.199 16.565 10.652 1.00 0.00 ? 13 ALA A O 17 ATOM 9204 C CB . ALA A 1 13 ? 5.211 15.300 7.837 1.00 0.00 ? 13 ALA A CB 17 ATOM 9205 H H . ALA A 1 13 ? 4.464 12.989 9.032 1.00 0.00 ? 13 ALA A H 17 ATOM 9206 H HA . ALA A 1 13 ? 6.676 14.938 9.355 1.00 0.00 ? 13 ALA A HA 17 ATOM 9207 H HB1 . ALA A 1 13 ? 4.140 15.090 7.630 1.00 0.00 ? 13 ALA A HB1 17 ATOM 9208 H HB2 . ALA A 1 13 ? 5.402 16.396 7.781 1.00 0.00 ? 13 ALA A HB2 17 ATOM 9209 H HB3 . ALA A 1 13 ? 5.816 14.813 7.041 1.00 0.00 ? 13 ALA A HB3 17 ATOM 9210 N N . GLU A 1 14 ? 3.861 14.756 10.958 1.00 0.00 ? 14 GLU A N 17 ATOM 9211 C CA . GLU A 1 14 ? 3.033 15.262 12.041 1.00 0.00 ? 14 GLU A CA 17 ATOM 9212 C C . GLU A 1 14 ? 3.698 15.029 13.390 1.00 0.00 ? 14 GLU A C 17 ATOM 9213 O O . GLU A 1 14 ? 3.604 15.856 14.292 1.00 0.00 ? 14 GLU A O 17 ATOM 9214 C CB . GLU A 1 14 ? 1.627 14.599 12.048 1.00 0.00 ? 14 GLU A CB 17 ATOM 9215 C CG . GLU A 1 14 ? 0.557 15.370 12.860 1.00 0.00 ? 14 GLU A CG 17 ATOM 9216 C CD . GLU A 1 14 ? -0.145 14.442 13.858 1.00 0.00 ? 14 GLU A CD 17 ATOM 9217 O OE1 . GLU A 1 14 ? -0.367 13.259 13.483 1.00 0.00 ? 14 GLU A OE1 17 ATOM 9218 O OE2 . GLU A 1 14 ? -0.472 14.905 14.995 1.00 0.00 ? 14 GLU A OE2 17 ATOM 9219 H H . GLU A 1 14 ? 3.607 13.831 10.689 1.00 0.00 ? 14 GLU A H 17 ATOM 9220 H HA . GLU A 1 14 ? 2.894 16.328 11.903 1.00 0.00 ? 14 GLU A HA 17 ATOM 9221 H HB2 . GLU A 1 14 ? 1.256 14.563 10.999 1.00 0.00 ? 14 GLU A HB2 17 ATOM 9222 H HB3 . GLU A 1 14 ? 1.687 13.538 12.385 1.00 0.00 ? 14 GLU A HB3 17 ATOM 9223 H HG2 . GLU A 1 14 ? 1.012 16.237 13.384 1.00 0.00 ? 14 GLU A HG2 17 ATOM 9224 H HG3 . GLU A 1 14 ? -0.194 15.757 12.139 1.00 0.00 ? 14 GLU A HG3 17 ATOM 9225 N N . GLN A 1 15 ? 4.456 13.901 13.525 1.00 0.00 ? 15 GLN A N 17 ATOM 9226 C CA . GLN A 1 15 ? 5.203 13.449 14.701 1.00 0.00 ? 15 GLN A CA 17 ATOM 9227 C C . GLN A 1 15 ? 6.421 14.327 14.924 1.00 0.00 ? 15 GLN A C 17 ATOM 9228 O O . GLN A 1 15 ? 6.740 14.781 16.023 1.00 0.00 ? 15 GLN A O 17 ATOM 9229 C CB . GLN A 1 15 ? 5.703 11.996 14.447 1.00 0.00 ? 15 GLN A CB 17 ATOM 9230 C CG . GLN A 1 15 ? 6.597 11.325 15.518 1.00 0.00 ? 15 GLN A CG 17 ATOM 9231 C CD . GLN A 1 15 ? 5.745 10.577 16.533 1.00 0.00 ? 15 GLN A CD 17 ATOM 9232 O OE1 . GLN A 1 15 ? 5.056 9.625 16.175 1.00 0.00 ? 15 GLN A OE1 17 ATOM 9233 N NE2 . GLN A 1 15 ? 5.826 10.953 17.830 1.00 0.00 ? 15 GLN A NE2 17 ATOM 9234 H H . GLN A 1 15 ? 4.436 13.216 12.784 1.00 0.00 ? 15 GLN A H 17 ATOM 9235 H HA . GLN A 1 15 ? 4.556 13.470 15.569 1.00 0.00 ? 15 GLN A HA 17 ATOM 9236 H HB2 . GLN A 1 15 ? 4.813 11.354 14.248 1.00 0.00 ? 15 GLN A HB2 17 ATOM 9237 H HB3 . GLN A 1 15 ? 6.292 11.978 13.504 1.00 0.00 ? 15 GLN A HB3 17 ATOM 9238 H HG2 . GLN A 1 15 ? 7.191 10.562 14.976 1.00 0.00 ? 15 GLN A HG2 17 ATOM 9239 H HG3 . GLN A 1 15 ? 7.318 12.010 16.017 1.00 0.00 ? 15 GLN A HG3 17 ATOM 9240 H HE21 . GLN A 1 15 ? 6.467 11.672 18.114 1.00 0.00 ? 15 GLN A HE21 17 ATOM 9241 H HE22 . GLN A 1 15 ? 5.343 10.408 18.513 1.00 0.00 ? 15 GLN A HE22 17 ATOM 9242 N N . ALA A 1 16 ? 7.071 14.657 13.778 1.00 0.00 ? 16 ALA A N 17 ATOM 9243 C CA . ALA A 1 16 ? 8.269 15.457 13.621 1.00 0.00 ? 16 ALA A CA 17 ATOM 9244 C C . ALA A 1 16 ? 7.995 16.938 13.828 1.00 0.00 ? 16 ALA A C 17 ATOM 9245 O O . ALA A 1 16 ? 8.913 17.720 14.037 1.00 0.00 ? 16 ALA A O 17 ATOM 9246 C CB . ALA A 1 16 ? 8.908 15.234 12.221 1.00 0.00 ? 16 ALA A CB 17 ATOM 9247 H H . ALA A 1 16 ? 6.687 14.296 12.932 1.00 0.00 ? 16 ALA A H 17 ATOM 9248 H HA . ALA A 1 16 ? 8.989 15.141 14.366 1.00 0.00 ? 16 ALA A HA 17 ATOM 9249 H HB1 . ALA A 1 16 ? 9.017 14.142 12.034 1.00 0.00 ? 16 ALA A HB1 17 ATOM 9250 H HB2 . ALA A 1 16 ? 8.294 15.653 11.390 1.00 0.00 ? 16 ALA A HB2 17 ATOM 9251 H HB3 . ALA A 1 16 ? 9.921 15.694 12.163 1.00 0.00 ? 16 ALA A HB3 17 ATOM 9252 N N . ALA A 1 17 ? 6.684 17.319 13.804 1.00 0.00 ? 17 ALA A N 17 ATOM 9253 C CA . ALA A 1 17 ? 6.182 18.660 14.079 1.00 0.00 ? 17 ALA A CA 17 ATOM 9254 C C . ALA A 1 17 ? 5.850 18.866 15.554 1.00 0.00 ? 17 ALA A C 17 ATOM 9255 O O . ALA A 1 17 ? 5.813 19.994 16.046 1.00 0.00 ? 17 ALA A O 17 ATOM 9256 C CB . ALA A 1 17 ? 4.943 19.006 13.217 1.00 0.00 ? 17 ALA A CB 17 ATOM 9257 H H . ALA A 1 17 ? 5.997 16.622 13.609 1.00 0.00 ? 17 ALA A H 17 ATOM 9258 H HA . ALA A 1 17 ? 6.951 19.380 13.823 1.00 0.00 ? 17 ALA A HA 17 ATOM 9259 H HB1 . ALA A 1 17 ? 5.170 18.813 12.145 1.00 0.00 ? 17 ALA A HB1 17 ATOM 9260 H HB2 . ALA A 1 17 ? 4.055 18.386 13.478 1.00 0.00 ? 17 ALA A HB2 17 ATOM 9261 H HB3 . ALA A 1 17 ? 4.662 20.080 13.313 1.00 0.00 ? 17 ALA A HB3 17 ATOM 9262 N N . LYS A 1 18 ? 5.630 17.758 16.326 1.00 0.00 ? 18 LYS A N 17 ATOM 9263 C CA . LYS A 1 18 ? 5.310 17.824 17.758 1.00 0.00 ? 18 LYS A CA 17 ATOM 9264 C C . LYS A 1 18 ? 6.566 17.820 18.605 1.00 0.00 ? 18 LYS A C 17 ATOM 9265 O O . LYS A 1 18 ? 6.644 18.492 19.629 1.00 0.00 ? 18 LYS A O 17 ATOM 9266 C CB . LYS A 1 18 ? 4.354 16.697 18.233 1.00 0.00 ? 18 LYS A CB 17 ATOM 9267 C CG . LYS A 1 18 ? 2.935 16.901 17.685 1.00 0.00 ? 18 LYS A CG 17 ATOM 9268 C CD . LYS A 1 18 ? 1.946 15.819 18.145 1.00 0.00 ? 18 LYS A CD 17 ATOM 9269 C CE . LYS A 1 18 ? 0.461 16.231 18.080 1.00 0.00 ? 18 LYS A CE 17 ATOM 9270 N NZ . LYS A 1 18 ? 0.041 16.660 16.724 1.00 0.00 ? 18 LYS A NZ 17 ATOM 9271 H H . LYS A 1 18 ? 5.650 16.847 15.913 1.00 0.00 ? 18 LYS A H 17 ATOM 9272 H HA . LYS A 1 18 ? 4.800 18.757 17.968 1.00 0.00 ? 18 LYS A HA 17 ATOM 9273 H HB2 . LYS A 1 18 ? 4.739 15.699 17.917 1.00 0.00 ? 18 LYS A HB2 17 ATOM 9274 H HB3 . LYS A 1 18 ? 4.253 16.698 19.345 1.00 0.00 ? 18 LYS A HB3 17 ATOM 9275 H HG2 . LYS A 1 18 ? 2.604 17.888 18.079 1.00 0.00 ? 18 LYS A HG2 17 ATOM 9276 H HG3 . LYS A 1 18 ? 2.977 16.956 16.573 1.00 0.00 ? 18 LYS A HG3 17 ATOM 9277 H HD2 . LYS A 1 18 ? 2.096 14.882 17.561 1.00 0.00 ? 18 LYS A HD2 17 ATOM 9278 H HD3 . LYS A 1 18 ? 2.166 15.583 19.211 1.00 0.00 ? 18 LYS A HD3 17 ATOM 9279 H HE2 . LYS A 1 18 ? -0.195 15.390 18.400 1.00 0.00 ? 18 LYS A HE2 17 ATOM 9280 H HE3 . LYS A 1 18 ? 0.293 17.095 18.760 1.00 0.00 ? 18 LYS A HE3 17 ATOM 9281 H HZ1 . LYS A 1 18 ? 0.800 17.197 16.262 1.00 0.00 ? 18 LYS A HZ1 17 ATOM 9282 H HZ2 . LYS A 1 18 ? -0.165 15.815 16.080 1.00 0.00 ? 18 LYS A HZ2 17 ATOM 9283 H HZ3 . LYS A 1 18 ? -0.841 17.212 16.764 1.00 0.00 ? 18 LYS A HZ3 17 ATOM 9284 N N . ASP A 1 19 ? 7.631 17.105 18.146 1.00 0.00 ? 19 ASP A N 17 ATOM 9285 C CA . ASP A 1 19 ? 8.945 17.069 18.796 1.00 0.00 ? 19 ASP A CA 17 ATOM 9286 C C . ASP A 1 19 ? 9.821 18.233 18.348 1.00 0.00 ? 19 ASP A C 17 ATOM 9287 O O . ASP A 1 19 ? 10.951 18.397 18.798 1.00 0.00 ? 19 ASP A O 17 ATOM 9288 C CB . ASP A 1 19 ? 9.699 15.716 18.604 1.00 0.00 ? 19 ASP A CB 17 ATOM 9289 C CG . ASP A 1 19 ? 8.875 14.610 19.264 1.00 0.00 ? 19 ASP A CG 17 ATOM 9290 O OD1 . ASP A 1 19 ? 8.628 14.779 20.491 1.00 0.00 ? 19 ASP A OD1 17 ATOM 9291 O OD2 . ASP A 1 19 ? 8.470 13.625 18.585 1.00 0.00 ? 19 ASP A OD2 17 ATOM 9292 H H . ASP A 1 19 ? 7.522 16.473 17.381 1.00 0.00 ? 19 ASP A H 17 ATOM 9293 H HA . ASP A 1 19 ? 8.804 17.188 19.862 1.00 0.00 ? 19 ASP A HA 17 ATOM 9294 H HB2 . ASP A 1 19 ? 9.860 15.472 17.533 1.00 0.00 ? 19 ASP A HB2 17 ATOM 9295 H HB3 . ASP A 1 19 ? 10.687 15.741 19.117 1.00 0.00 ? 19 ASP A HB3 17 ATOM 9296 N N . ALA A 1 20 ? 9.258 19.124 17.485 1.00 0.00 ? 20 ALA A N 17 ATOM 9297 C CA . ALA A 1 20 ? 9.838 20.369 17.020 1.00 0.00 ? 20 ALA A CA 17 ATOM 9298 C C . ALA A 1 20 ? 9.453 21.521 17.926 1.00 0.00 ? 20 ALA A C 17 ATOM 9299 O O . ALA A 1 20 ? 10.275 22.397 18.183 1.00 0.00 ? 20 ALA A O 17 ATOM 9300 C CB . ALA A 1 20 ? 9.427 20.700 15.562 1.00 0.00 ? 20 ALA A CB 17 ATOM 9301 H H . ALA A 1 20 ? 8.324 18.953 17.178 1.00 0.00 ? 20 ALA A H 17 ATOM 9302 H HA . ALA A 1 20 ? 10.919 20.279 17.042 1.00 0.00 ? 20 ALA A HA 17 ATOM 9303 H HB1 . ALA A 1 20 ? 9.670 19.829 14.917 1.00 0.00 ? 20 ALA A HB1 17 ATOM 9304 H HB2 . ALA A 1 20 ? 8.340 20.910 15.460 1.00 0.00 ? 20 ALA A HB2 17 ATOM 9305 H HB3 . ALA A 1 20 ? 9.983 21.578 15.166 1.00 0.00 ? 20 ALA A HB3 17 ATOM 9306 N N . GLU A 1 21 ? 8.189 21.548 18.452 1.00 0.00 ? 21 GLU A N 17 ATOM 9307 C CA . GLU A 1 21 ? 7.689 22.598 19.344 1.00 0.00 ? 21 GLU A CA 17 ATOM 9308 C C . GLU A 1 21 ? 7.947 22.267 20.806 1.00 0.00 ? 21 GLU A C 17 ATOM 9309 O O . GLU A 1 21 ? 8.047 23.156 21.648 1.00 0.00 ? 21 GLU A O 17 ATOM 9310 C CB . GLU A 1 21 ? 6.190 22.982 19.136 1.00 0.00 ? 21 GLU A CB 17 ATOM 9311 C CG . GLU A 1 21 ? 5.952 23.808 17.849 1.00 0.00 ? 21 GLU A CG 17 ATOM 9312 C CD . GLU A 1 21 ? 4.618 24.567 17.882 1.00 0.00 ? 21 GLU A CD 17 ATOM 9313 O OE1 . GLU A 1 21 ? 3.863 24.440 18.885 1.00 0.00 ? 21 GLU A OE1 17 ATOM 9314 O OE2 . GLU A 1 21 ? 4.354 25.315 16.901 1.00 0.00 ? 21 GLU A OE2 17 ATOM 9315 H H . GLU A 1 21 ? 7.525 20.843 18.203 1.00 0.00 ? 21 GLU A H 17 ATOM 9316 H HA . GLU A 1 21 ? 8.242 23.510 19.153 1.00 0.00 ? 21 GLU A HA 17 ATOM 9317 H HB2 . GLU A 1 21 ? 5.533 22.085 19.132 1.00 0.00 ? 21 GLU A HB2 17 ATOM 9318 H HB3 . GLU A 1 21 ? 5.855 23.642 19.972 1.00 0.00 ? 21 GLU A HB3 17 ATOM 9319 H HG2 . GLU A 1 21 ? 6.749 24.576 17.765 1.00 0.00 ? 21 GLU A HG2 17 ATOM 9320 H HG3 . GLU A 1 21 ? 5.985 23.167 16.945 1.00 0.00 ? 21 GLU A HG3 17 ATOM 9321 N N . ASN A 1 22 ? 8.157 20.958 21.135 1.00 0.00 ? 22 ASN A N 17 ATOM 9322 C CA . ASN A 1 22 ? 8.492 20.465 22.484 1.00 0.00 ? 22 ASN A CA 17 ATOM 9323 C C . ASN A 1 22 ? 9.816 21.016 23.039 1.00 0.00 ? 22 ASN A C 17 ATOM 9324 O O . ASN A 1 22 ? 9.889 21.379 24.210 1.00 0.00 ? 22 ASN A O 17 ATOM 9325 C CB . ASN A 1 22 ? 8.466 18.899 22.605 1.00 0.00 ? 22 ASN A CB 17 ATOM 9326 C CG . ASN A 1 22 ? 7.111 18.391 23.138 1.00 0.00 ? 22 ASN A CG 17 ATOM 9327 O OD1 . ASN A 1 22 ? 6.678 18.872 24.188 1.00 0.00 ? 22 ASN A OD1 17 ATOM 9328 N ND2 . ASN A 1 22 ? 6.464 17.399 22.478 1.00 0.00 ? 22 ASN A ND2 17 ATOM 9329 H H . ASN A 1 22 ? 8.022 20.263 20.427 1.00 0.00 ? 22 ASN A H 17 ATOM 9330 H HA . ASN A 1 22 ? 7.732 20.846 23.149 1.00 0.00 ? 22 ASN A HA 17 ATOM 9331 H HB2 . ASN A 1 22 ? 8.697 18.445 21.620 1.00 0.00 ? 22 ASN A HB2 17 ATOM 9332 H HB3 . ASN A 1 22 ? 9.195 18.506 23.348 1.00 0.00 ? 22 ASN A HB3 17 ATOM 9333 H HD21 . ASN A 1 22 ? 6.847 17.015 21.634 1.00 0.00 ? 22 ASN A HD21 17 ATOM 9334 H HD22 . ASN A 1 22 ? 5.606 17.033 22.837 1.00 0.00 ? 22 ASN A HD22 17 ATOM 9335 N N . ALA A 1 23 ? 10.842 21.200 22.152 1.00 0.00 ? 23 ALA A N 17 ATOM 9336 C CA . ALA A 1 23 ? 12.171 21.737 22.474 1.00 0.00 ? 23 ALA A CA 17 ATOM 9337 C C . ALA A 1 23 ? 12.205 23.234 22.787 1.00 0.00 ? 23 ALA A C 17 ATOM 9338 O O . ALA A 1 23 ? 13.142 23.732 23.410 1.00 0.00 ? 23 ALA A O 17 ATOM 9339 C CB . ALA A 1 23 ? 13.204 21.466 21.351 1.00 0.00 ? 23 ALA A CB 17 ATOM 9340 H H . ALA A 1 23 ? 10.729 20.923 21.199 1.00 0.00 ? 23 ALA A H 17 ATOM 9341 H HA . ALA A 1 23 ? 12.531 21.209 23.348 1.00 0.00 ? 23 ALA A HA 17 ATOM 9342 H HB1 . ALA A 1 23 ? 13.238 20.374 21.152 1.00 0.00 ? 23 ALA A HB1 17 ATOM 9343 H HB2 . ALA A 1 23 ? 12.942 21.978 20.396 1.00 0.00 ? 23 ALA A HB2 17 ATOM 9344 H HB3 . ALA A 1 23 ? 14.232 21.779 21.652 1.00 0.00 ? 23 ALA A HB3 17 ATOM 9345 N N . SER A 1 24 ? 11.147 23.974 22.367 1.00 0.00 ? 24 SER A N 17 ATOM 9346 C CA . SER A 1 24 ? 10.894 25.364 22.722 1.00 0.00 ? 24 SER A CA 17 ATOM 9347 C C . SER A 1 24 ? 10.035 25.462 23.969 1.00 0.00 ? 24 SER A C 17 ATOM 9348 O O . SER A 1 24 ? 9.992 26.496 24.624 1.00 0.00 ? 24 SER A O 17 ATOM 9349 C CB . SER A 1 24 ? 10.252 26.178 21.566 1.00 0.00 ? 24 SER A CB 17 ATOM 9350 O OG . SER A 1 24 ? 11.156 26.223 20.466 1.00 0.00 ? 24 SER A OG 17 ATOM 9351 H H . SER A 1 24 ? 10.435 23.531 21.826 1.00 0.00 ? 24 SER A H 17 ATOM 9352 H HA . SER A 1 24 ? 11.834 25.851 22.948 1.00 0.00 ? 24 SER A HA 17 ATOM 9353 H HB2 . SER A 1 24 ? 9.287 25.730 21.229 1.00 0.00 ? 24 SER A HB2 17 ATOM 9354 H HB3 . SER A 1 24 ? 10.059 27.231 21.883 1.00 0.00 ? 24 SER A HB3 17 ATOM 9355 H HG . SER A 1 24 ? 10.873 25.547 19.843 1.00 0.00 ? 24 SER A HG 17 ATOM 9356 N N . LYS A 1 25 ? 9.346 24.351 24.328 1.00 0.00 ? 25 LYS A N 17 ATOM 9357 C CA . LYS A 1 25 ? 8.360 24.245 25.394 1.00 0.00 ? 25 LYS A CA 17 ATOM 9358 C C . LYS A 1 25 ? 9.041 23.874 26.708 1.00 0.00 ? 25 LYS A C 17 ATOM 9359 O O . LYS A 1 25 ? 8.663 24.305 27.792 1.00 0.00 ? 25 LYS A O 17 ATOM 9360 C CB . LYS A 1 25 ? 7.176 23.325 24.954 1.00 0.00 ? 25 LYS A CB 17 ATOM 9361 C CG . LYS A 1 25 ? 6.302 22.622 26.008 1.00 0.00 ? 25 LYS A CG 17 ATOM 9362 C CD . LYS A 1 25 ? 6.910 21.313 26.534 1.00 0.00 ? 25 LYS A CD 17 ATOM 9363 C CE . LYS A 1 25 ? 5.979 20.503 27.415 1.00 0.00 ? 25 LYS A CE 17 ATOM 9364 N NZ . LYS A 1 25 ? 6.556 19.157 27.589 1.00 0.00 ? 25 LYS A NZ 17 ATOM 9365 H H . LYS A 1 25 ? 9.449 23.530 23.772 1.00 0.00 ? 25 LYS A H 17 ATOM 9366 H HA . LYS A 1 25 ? 7.901 25.210 25.538 1.00 0.00 ? 25 LYS A HA 17 ATOM 9367 H HB2 . LYS A 1 25 ? 6.511 23.962 24.327 1.00 0.00 ? 25 LYS A HB2 17 ATOM 9368 H HB3 . LYS A 1 25 ? 7.552 22.527 24.291 1.00 0.00 ? 25 LYS A HB3 17 ATOM 9369 H HG2 . LYS A 1 25 ? 6.027 23.314 26.829 1.00 0.00 ? 25 LYS A HG2 17 ATOM 9370 H HG3 . LYS A 1 25 ? 5.375 22.335 25.464 1.00 0.00 ? 25 LYS A HG3 17 ATOM 9371 H HD2 . LYS A 1 25 ? 7.214 20.741 25.631 1.00 0.00 ? 25 LYS A HD2 17 ATOM 9372 H HD3 . LYS A 1 25 ? 7.830 21.493 27.131 1.00 0.00 ? 25 LYS A HD3 17 ATOM 9373 H HE2 . LYS A 1 25 ? 5.860 20.987 28.409 1.00 0.00 ? 25 LYS A HE2 17 ATOM 9374 H HE3 . LYS A 1 25 ? 4.986 20.385 26.929 1.00 0.00 ? 25 LYS A HE3 17 ATOM 9375 H HZ1 . LYS A 1 25 ? 7.537 19.195 27.943 1.00 0.00 ? 25 LYS A HZ1 17 ATOM 9376 H HZ2 . LYS A 1 25 ? 5.959 18.637 28.257 1.00 0.00 ? 25 LYS A HZ2 17 ATOM 9377 H HZ3 . LYS A 1 25 ? 6.535 18.689 26.655 1.00 0.00 ? 25 LYS A HZ3 17 ATOM 9378 N N . GLU A 1 26 ? 10.151 23.084 26.618 1.00 0.00 ? 26 GLU A N 17 ATOM 9379 C CA . GLU A 1 26 ? 11.036 22.794 27.748 1.00 0.00 ? 26 GLU A CA 17 ATOM 9380 C C . GLU A 1 26 ? 12.094 23.872 27.921 1.00 0.00 ? 26 GLU A C 17 ATOM 9381 O O . GLU A 1 26 ? 12.812 23.910 28.918 1.00 0.00 ? 26 GLU A O 17 ATOM 9382 C CB . GLU A 1 26 ? 11.760 21.439 27.579 1.00 0.00 ? 26 GLU A CB 17 ATOM 9383 C CG . GLU A 1 26 ? 12.522 21.322 26.245 1.00 0.00 ? 26 GLU A CG 17 ATOM 9384 C CD . GLU A 1 26 ? 13.338 20.062 26.234 1.00 0.00 ? 26 GLU A CD 17 ATOM 9385 O OE1 . GLU A 1 26 ? 12.874 19.043 26.808 1.00 0.00 ? 26 GLU A OE1 17 ATOM 9386 O OE2 . GLU A 1 26 ? 14.454 20.107 25.662 1.00 0.00 ? 26 GLU A OE2 17 ATOM 9387 H H . GLU A 1 26 ? 10.369 22.621 25.754 1.00 0.00 ? 26 GLU A H 17 ATOM 9388 H HA . GLU A 1 26 ? 10.461 22.757 28.670 1.00 0.00 ? 26 GLU A HA 17 ATOM 9389 H HB2 . GLU A 1 26 ? 12.454 21.239 28.433 1.00 0.00 ? 26 GLU A HB2 17 ATOM 9390 H HB3 . GLU A 1 26 ? 11.001 20.629 27.589 1.00 0.00 ? 26 GLU A HB3 17 ATOM 9391 H HG2 . GLU A 1 26 ? 11.817 21.261 25.403 1.00 0.00 ? 26 GLU A HG2 17 ATOM 9392 H HG3 . GLU A 1 26 ? 13.228 22.163 26.064 1.00 0.00 ? 26 GLU A HG3 17 ATOM 9393 N N . ALA A 1 27 ? 12.187 24.793 26.921 1.00 0.00 ? 27 ALA A N 17 ATOM 9394 C CA . ALA A 1 27 ? 13.095 25.930 26.919 1.00 0.00 ? 27 ALA A CA 17 ATOM 9395 C C . ALA A 1 27 ? 12.452 27.153 27.548 1.00 0.00 ? 27 ALA A C 17 ATOM 9396 O O . ALA A 1 27 ? 13.136 28.144 27.828 1.00 0.00 ? 27 ALA A O 17 ATOM 9397 C CB . ALA A 1 27 ? 13.577 26.301 25.495 1.00 0.00 ? 27 ALA A CB 17 ATOM 9398 H H . ALA A 1 27 ? 11.611 24.682 26.115 1.00 0.00 ? 27 ALA A H 17 ATOM 9399 H HA . ALA A 1 27 ? 13.980 25.681 27.494 1.00 0.00 ? 27 ALA A HA 17 ATOM 9400 H HB1 . ALA A 1 27 ? 14.020 25.399 25.019 1.00 0.00 ? 27 ALA A HB1 17 ATOM 9401 H HB2 . ALA A 1 27 ? 12.751 26.656 24.841 1.00 0.00 ? 27 ALA A HB2 17 ATOM 9402 H HB3 . ALA A 1 27 ? 14.369 27.083 25.515 1.00 0.00 ? 27 ALA A HB3 17 ATOM 9403 N N . GLU A 1 28 ? 11.106 27.064 27.813 1.00 0.00 ? 28 GLU A N 17 ATOM 9404 C CA . GLU A 1 28 ? 10.173 28.116 28.275 1.00 0.00 ? 28 GLU A CA 17 ATOM 9405 C C . GLU A 1 28 ? 10.564 28.835 29.562 1.00 0.00 ? 28 GLU A C 17 ATOM 9406 O O . GLU A 1 28 ? 10.534 30.063 29.622 1.00 0.00 ? 28 GLU A O 17 ATOM 9407 C CB . GLU A 1 28 ? 8.689 27.612 28.476 1.00 0.00 ? 28 GLU A CB 17 ATOM 9408 C CG . GLU A 1 28 ? 7.871 27.457 27.181 1.00 0.00 ? 28 GLU A CG 17 ATOM 9409 C CD . GLU A 1 28 ? 6.491 26.818 27.452 1.00 0.00 ? 28 GLU A CD 17 ATOM 9410 O OE1 . GLU A 1 28 ? 5.891 27.248 28.475 1.00 0.00 ? 28 GLU A OE1 17 ATOM 9411 O OE2 . GLU A 1 28 ? 6.002 25.946 26.674 1.00 0.00 ? 28 GLU A OE2 17 ATOM 9412 H H . GLU A 1 28 ? 10.670 26.200 27.548 1.00 0.00 ? 28 GLU A H 17 ATOM 9413 H HA . GLU A 1 28 ? 10.159 28.869 27.499 1.00 0.00 ? 28 GLU A HA 17 ATOM 9414 H HB2 . GLU A 1 28 ? 8.696 26.630 29.001 1.00 0.00 ? 28 GLU A HB2 17 ATOM 9415 H HB3 . GLU A 1 28 ? 8.062 28.309 29.085 1.00 0.00 ? 28 GLU A HB3 17 ATOM 9416 H HG2 . GLU A 1 28 ? 7.711 28.448 26.712 1.00 0.00 ? 28 GLU A HG2 17 ATOM 9417 H HG3 . GLU A 1 28 ? 8.461 26.845 26.483 1.00 0.00 ? 28 GLU A HG3 17 ATOM 9418 N N . GLU A 1 29 ? 10.961 28.058 30.607 1.00 0.00 ? 29 GLU A N 17 ATOM 9419 C CA . GLU A 1 29 ? 11.250 28.503 31.970 1.00 0.00 ? 29 GLU A CA 17 ATOM 9420 C C . GLU A 1 29 ? 12.698 28.938 32.148 1.00 0.00 ? 29 GLU A C 17 ATOM 9421 O O . GLU A 1 29 ? 13.058 29.591 33.126 1.00 0.00 ? 29 GLU A O 17 ATOM 9422 C CB . GLU A 1 29 ? 10.894 27.380 32.994 1.00 0.00 ? 29 GLU A CB 17 ATOM 9423 C CG . GLU A 1 29 ? 9.566 27.641 33.723 1.00 0.00 ? 29 GLU A CG 17 ATOM 9424 C CD . GLU A 1 29 ? 9.230 26.426 34.586 1.00 0.00 ? 29 GLU A CD 17 ATOM 9425 O OE1 . GLU A 1 29 ? 9.086 25.347 33.956 1.00 0.00 ? 29 GLU A OE1 17 ATOM 9426 O OE2 . GLU A 1 29 ? 9.144 26.534 35.837 1.00 0.00 ? 29 GLU A OE2 17 ATOM 9427 H H . GLU A 1 29 ? 10.962 27.068 30.484 1.00 0.00 ? 29 GLU A H 17 ATOM 9428 H HA . GLU A 1 29 ? 10.639 29.368 32.199 1.00 0.00 ? 29 GLU A HA 17 ATOM 9429 H HB2 . GLU A 1 29 ? 10.810 26.409 32.453 1.00 0.00 ? 29 GLU A HB2 17 ATOM 9430 H HB3 . GLU A 1 29 ? 11.651 27.241 33.802 1.00 0.00 ? 29 GLU A HB3 17 ATOM 9431 H HG2 . GLU A 1 29 ? 9.673 28.539 34.368 1.00 0.00 ? 29 GLU A HG2 17 ATOM 9432 H HG3 . GLU A 1 29 ? 8.734 27.792 33.007 1.00 0.00 ? 29 GLU A HG3 17 ATOM 9433 N N . ALA A 1 30 ? 13.553 28.630 31.135 1.00 0.00 ? 30 ALA A N 17 ATOM 9434 C CA . ALA A 1 30 ? 14.975 28.923 31.032 1.00 0.00 ? 30 ALA A CA 17 ATOM 9435 C C . ALA A 1 30 ? 15.137 30.322 30.460 1.00 0.00 ? 30 ALA A C 17 ATOM 9436 O O . ALA A 1 30 ? 15.956 31.124 30.915 1.00 0.00 ? 30 ALA A O 17 ATOM 9437 C CB . ALA A 1 30 ? 15.712 27.874 30.143 1.00 0.00 ? 30 ALA A CB 17 ATOM 9438 H H . ALA A 1 30 ? 13.173 28.161 30.344 1.00 0.00 ? 30 ALA A H 17 ATOM 9439 H HA . ALA A 1 30 ? 15.404 28.908 32.027 1.00 0.00 ? 30 ALA A HA 17 ATOM 9440 H HB1 . ALA A 1 30 ? 15.562 26.849 30.548 1.00 0.00 ? 30 ALA A HB1 17 ATOM 9441 H HB2 . ALA A 1 30 ? 15.338 27.868 29.094 1.00 0.00 ? 30 ALA A HB2 17 ATOM 9442 H HB3 . ALA A 1 30 ? 16.808 28.072 30.124 1.00 0.00 ? 30 ALA A HB3 17 ATOM 9443 N N . ALA A 1 31 ? 14.217 30.690 29.519 1.00 0.00 ? 31 ALA A N 17 ATOM 9444 C CA . ALA A 1 31 ? 14.077 32.024 28.944 1.00 0.00 ? 31 ALA A CA 17 ATOM 9445 C C . ALA A 1 31 ? 13.159 32.926 29.766 1.00 0.00 ? 31 ALA A C 17 ATOM 9446 O O . ALA A 1 31 ? 12.459 33.796 29.247 1.00 0.00 ? 31 ALA A O 17 ATOM 9447 C CB . ALA A 1 31 ? 13.605 31.985 27.474 1.00 0.00 ? 31 ALA A CB 17 ATOM 9448 H H . ALA A 1 31 ? 13.585 30.004 29.154 1.00 0.00 ? 31 ALA A H 17 ATOM 9449 H HA . ALA A 1 31 ? 15.047 32.493 28.942 1.00 0.00 ? 31 ALA A HA 17 ATOM 9450 H HB1 . ALA A 1 31 ? 14.287 31.343 26.876 1.00 0.00 ? 31 ALA A HB1 17 ATOM 9451 H HB2 . ALA A 1 31 ? 12.582 31.563 27.381 1.00 0.00 ? 31 ALA A HB2 17 ATOM 9452 H HB3 . ALA A 1 31 ? 13.611 32.997 27.011 1.00 0.00 ? 31 ALA A HB3 17 ATOM 9453 N N . LYS A 1 32 ? 13.212 32.730 31.104 1.00 0.00 ? 32 LYS A N 17 ATOM 9454 C CA . LYS A 1 32 ? 12.744 33.626 32.128 1.00 0.00 ? 32 LYS A CA 17 ATOM 9455 C C . LYS A 1 32 ? 13.895 33.661 33.094 1.00 0.00 ? 32 LYS A C 17 ATOM 9456 O O . LYS A 1 32 ? 14.612 34.651 33.114 1.00 0.00 ? 32 LYS A O 17 ATOM 9457 C CB . LYS A 1 32 ? 11.369 33.286 32.799 1.00 0.00 ? 32 LYS A CB 17 ATOM 9458 C CG . LYS A 1 32 ? 10.201 33.364 31.798 1.00 0.00 ? 32 LYS A CG 17 ATOM 9459 C CD . LYS A 1 32 ? 8.801 33.334 32.437 1.00 0.00 ? 32 LYS A CD 17 ATOM 9460 C CE . LYS A 1 32 ? 7.646 33.660 31.463 1.00 0.00 ? 32 LYS A CE 17 ATOM 9461 N NZ . LYS A 1 32 ? 7.710 35.076 30.980 1.00 0.00 ? 32 LYS A NZ 17 ATOM 9462 H H . LYS A 1 32 ? 13.784 31.983 31.441 1.00 0.00 ? 32 LYS A H 17 ATOM 9463 H HA . LYS A 1 32 ? 12.689 34.626 31.729 1.00 0.00 ? 32 LYS A HA 17 ATOM 9464 H HB2 . LYS A 1 32 ? 11.369 32.283 33.282 1.00 0.00 ? 32 LYS A HB2 17 ATOM 9465 H HB3 . LYS A 1 32 ? 11.151 34.052 33.581 1.00 0.00 ? 32 LYS A HB3 17 ATOM 9466 H HG2 . LYS A 1 32 ? 10.341 34.312 31.238 1.00 0.00 ? 32 LYS A HG2 17 ATOM 9467 H HG3 . LYS A 1 32 ? 10.293 32.523 31.074 1.00 0.00 ? 32 LYS A HG3 17 ATOM 9468 H HD2 . LYS A 1 32 ? 8.638 32.314 32.848 1.00 0.00 ? 32 LYS A HD2 17 ATOM 9469 H HD3 . LYS A 1 32 ? 8.760 34.045 33.292 1.00 0.00 ? 32 LYS A HD3 17 ATOM 9470 H HE2 . LYS A 1 32 ? 7.680 32.988 30.576 1.00 0.00 ? 32 LYS A HE2 17 ATOM 9471 H HE3 . LYS A 1 32 ? 6.671 33.528 31.983 1.00 0.00 ? 32 LYS A HE3 17 ATOM 9472 H HZ1 . LYS A 1 32 ? 7.870 35.726 31.782 1.00 0.00 ? 32 LYS A HZ1 17 ATOM 9473 H HZ2 . LYS A 1 32 ? 8.507 35.158 30.314 1.00 0.00 ? 32 LYS A HZ2 17 ATOM 9474 H HZ3 . LYS A 1 32 ? 6.825 35.343 30.494 1.00 0.00 ? 32 LYS A HZ3 17 ATOM 9475 N N . GLU A 1 33 ? 14.161 32.559 33.849 1.00 0.00 ? 33 GLU A N 17 ATOM 9476 C CA . GLU A 1 33 ? 15.101 32.517 34.974 1.00 0.00 ? 33 GLU A CA 17 ATOM 9477 C C . GLU A 1 33 ? 16.589 32.705 34.678 1.00 0.00 ? 33 GLU A C 17 ATOM 9478 O O . GLU A 1 33 ? 17.356 33.136 35.534 1.00 0.00 ? 33 GLU A O 17 ATOM 9479 C CB . GLU A 1 33 ? 14.951 31.157 35.714 1.00 0.00 ? 33 GLU A CB 17 ATOM 9480 C CG . GLU A 1 33 ? 13.642 31.075 36.515 1.00 0.00 ? 33 GLU A CG 17 ATOM 9481 C CD . GLU A 1 33 ? 13.781 31.956 37.740 1.00 0.00 ? 33 GLU A CD 17 ATOM 9482 O OE1 . GLU A 1 33 ? 14.671 31.613 38.561 1.00 0.00 ? 33 GLU A OE1 17 ATOM 9483 O OE2 . GLU A 1 33 ? 13.052 32.975 37.871 1.00 0.00 ? 33 GLU A OE2 17 ATOM 9484 H H . GLU A 1 33 ? 13.602 31.730 33.771 1.00 0.00 ? 33 GLU A H 17 ATOM 9485 H HA . GLU A 1 33 ? 14.831 33.310 35.665 1.00 0.00 ? 33 GLU A HA 17 ATOM 9486 H HB2 . GLU A 1 33 ? 14.944 30.338 34.961 1.00 0.00 ? 33 GLU A HB2 17 ATOM 9487 H HB3 . GLU A 1 33 ? 15.779 30.949 36.438 1.00 0.00 ? 33 GLU A HB3 17 ATOM 9488 H HG2 . GLU A 1 33 ? 12.760 31.388 35.922 1.00 0.00 ? 33 GLU A HG2 17 ATOM 9489 H HG3 . GLU A 1 33 ? 13.494 30.030 36.861 1.00 0.00 ? 33 GLU A HG3 17 ATOM 9490 N N . ALA A 1 34 ? 17.054 32.310 33.461 1.00 0.00 ? 34 ALA A N 17 ATOM 9491 C CA . ALA A 1 34 ? 18.433 32.493 33.021 1.00 0.00 ? 34 ALA A CA 17 ATOM 9492 C C . ALA A 1 34 ? 18.636 33.795 32.271 1.00 0.00 ? 34 ALA A C 17 ATOM 9493 O O . ALA A 1 34 ? 19.750 34.293 32.146 1.00 0.00 ? 34 ALA A O 17 ATOM 9494 C CB . ALA A 1 34 ? 18.952 31.319 32.154 1.00 0.00 ? 34 ALA A CB 17 ATOM 9495 H H . ALA A 1 34 ? 16.431 31.930 32.778 1.00 0.00 ? 34 ALA A H 17 ATOM 9496 H HA . ALA A 1 34 ? 19.070 32.558 33.903 1.00 0.00 ? 34 ALA A HA 17 ATOM 9497 H HB1 . ALA A 1 34 ? 18.656 30.356 32.624 1.00 0.00 ? 34 ALA A HB1 17 ATOM 9498 H HB2 . ALA A 1 34 ? 18.529 31.334 31.121 1.00 0.00 ? 34 ALA A HB2 17 ATOM 9499 H HB3 . ALA A 1 34 ? 20.065 31.340 32.090 1.00 0.00 ? 34 ALA A HB3 17 ATOM 9500 N N . VAL A 1 35 ? 17.548 34.345 31.672 1.00 0.00 ? 35 VAL A N 17 ATOM 9501 C CA . VAL A 1 35 ? 17.626 35.400 30.659 1.00 0.00 ? 35 VAL A CA 17 ATOM 9502 C C . VAL A 1 35 ? 17.315 36.733 31.305 1.00 0.00 ? 35 VAL A C 17 ATOM 9503 O O . VAL A 1 35 ? 17.716 37.790 30.827 1.00 0.00 ? 35 VAL A O 17 ATOM 9504 C CB . VAL A 1 35 ? 16.718 35.080 29.466 1.00 0.00 ? 35 VAL A CB 17 ATOM 9505 C CG1 . VAL A 1 35 ? 16.601 36.220 28.417 1.00 0.00 ? 35 VAL A CG1 17 ATOM 9506 C CG2 . VAL A 1 35 ? 17.300 33.818 28.787 1.00 0.00 ? 35 VAL A CG2 17 ATOM 9507 H H . VAL A 1 35 ? 16.645 33.967 31.863 1.00 0.00 ? 35 VAL A H 17 ATOM 9508 H HA . VAL A 1 35 ? 18.638 35.488 30.273 1.00 0.00 ? 35 VAL A HA 17 ATOM 9509 H HB . VAL A 1 35 ? 15.695 34.838 29.829 1.00 0.00 ? 35 VAL A HB 17 ATOM 9510 H HG11 . VAL A 1 35 ? 17.604 36.563 28.085 1.00 0.00 ? 35 VAL A HG11 17 ATOM 9511 H HG12 . VAL A 1 35 ? 16.047 35.853 27.524 1.00 0.00 ? 35 VAL A HG12 17 ATOM 9512 H HG13 . VAL A 1 35 ? 16.049 37.102 28.806 1.00 0.00 ? 35 VAL A HG13 17 ATOM 9513 H HG21 . VAL A 1 35 ? 18.337 33.995 28.430 1.00 0.00 ? 35 VAL A HG21 17 ATOM 9514 H HG22 . VAL A 1 35 ? 17.312 32.944 29.475 1.00 0.00 ? 35 VAL A HG22 17 ATOM 9515 H HG23 . VAL A 1 35 ? 16.677 33.549 27.909 1.00 0.00 ? 35 VAL A HG23 17 ATOM 9516 N N . ASN A 1 36 ? 16.590 36.716 32.435 1.00 0.00 ? 36 ASN A N 17 ATOM 9517 C CA . ASN A 1 36 ? 16.204 37.885 33.177 1.00 0.00 ? 36 ASN A CA 17 ATOM 9518 C C . ASN A 1 36 ? 15.898 37.269 34.502 1.00 0.00 ? 36 ASN A C 17 ATOM 9519 O O . ASN A 1 36 ? 16.393 36.181 34.776 1.00 0.00 ? 36 ASN A O 17 ATOM 9520 C CB . ASN A 1 36 ? 15.043 38.745 32.555 1.00 0.00 ? 36 ASN A CB 17 ATOM 9521 C CG . ASN A 1 36 ? 13.739 37.987 32.301 1.00 0.00 ? 36 ASN A CG 17 ATOM 9522 O OD1 . ASN A 1 36 ? 12.765 38.235 33.005 1.00 0.00 ? 36 ASN A OD1 17 ATOM 9523 N ND2 . ASN A 1 36 ? 13.690 37.088 31.295 1.00 0.00 ? 36 ASN A ND2 17 ATOM 9524 H H . ASN A 1 36 ? 16.322 35.870 32.921 1.00 0.00 ? 36 ASN A H 17 ATOM 9525 H HA . ASN A 1 36 ? 17.055 38.527 33.326 1.00 0.00 ? 36 ASN A HA 17 ATOM 9526 H HB2 . ASN A 1 36 ? 14.798 39.610 33.207 1.00 0.00 ? 36 ASN A HB2 17 ATOM 9527 H HB3 . ASN A 1 36 ? 15.398 39.169 31.589 1.00 0.00 ? 36 ASN A HB3 17 ATOM 9528 H HD21 . ASN A 1 36 ? 14.535 36.870 30.808 1.00 0.00 ? 36 ASN A HD21 17 ATOM 9529 H HD22 . ASN A 1 36 ? 12.886 36.499 31.242 1.00 0.00 ? 36 ASN A HD22 17 ATOM 9530 N N . LEU A 1 37 ? 15.063 37.929 35.320 1.00 0.00 ? 37 LEU A N 17 ATOM 9531 C CA . LEU A 1 37 ? 14.507 37.356 36.523 1.00 0.00 ? 37 LEU A CA 17 ATOM 9532 C C . LEU A 1 37 ? 13.527 38.418 36.920 1.00 0.00 ? 37 LEU A C 17 ATOM 9533 O O . LEU A 1 37 ? 13.544 38.930 38.035 1.00 0.00 ? 37 LEU A O 17 ATOM 9534 C CB . LEU A 1 37 ? 15.565 37.053 37.649 1.00 0.00 ? 37 LEU A CB 17 ATOM 9535 C CG . LEU A 1 37 ? 15.424 35.656 38.287 1.00 0.00 ? 37 LEU A CG 17 ATOM 9536 C CD1 . LEU A 1 37 ? 16.748 35.218 38.941 1.00 0.00 ? 37 LEU A CD1 17 ATOM 9537 C CD2 . LEU A 1 37 ? 14.246 35.565 39.272 1.00 0.00 ? 37 LEU A CD2 17 ATOM 9538 H H . LEU A 1 37 ? 14.709 38.832 35.084 1.00 0.00 ? 37 LEU A H 17 ATOM 9539 H HA . LEU A 1 37 ? 13.967 36.455 36.259 1.00 0.00 ? 37 LEU A HA 17 ATOM 9540 H HB2 . LEU A 1 37 ? 16.567 37.045 37.169 1.00 0.00 ? 37 LEU A HB2 17 ATOM 9541 H HB3 . LEU A 1 37 ? 15.628 37.821 38.448 1.00 0.00 ? 37 LEU A HB3 17 ATOM 9542 H HG . LEU A 1 37 ? 15.219 34.931 37.468 1.00 0.00 ? 37 LEU A HG 17 ATOM 9543 H HD11 . LEU A 1 37 ? 17.089 35.965 39.686 1.00 0.00 ? 37 LEU A HD11 17 ATOM 9544 H HD12 . LEU A 1 37 ? 16.622 34.237 39.448 1.00 0.00 ? 37 LEU A HD12 17 ATOM 9545 H HD13 . LEU A 1 37 ? 17.538 35.101 38.168 1.00 0.00 ? 37 LEU A HD13 17 ATOM 9546 H HD21 . LEU A 1 37 ? 14.328 36.317 40.086 1.00 0.00 ? 37 LEU A HD21 17 ATOM 9547 H HD22 . LEU A 1 37 ? 13.281 35.718 38.739 1.00 0.00 ? 37 LEU A HD22 17 ATOM 9548 H HD23 . LEU A 1 37 ? 14.216 34.544 39.716 1.00 0.00 ? 37 LEU A HD23 17 ATOM 9549 N N . LYS A 1 38 ? 12.678 38.862 35.962 1.00 0.00 ? 38 LYS A N 17 ATOM 9550 C CA . LYS A 1 38 ? 11.764 39.963 36.208 1.00 0.00 ? 38 LYS A CA 17 ATOM 9551 C C . LYS A 1 38 ? 10.329 39.490 35.947 1.00 0.00 ? 38 LYS A C 17 ATOM 9552 O O . LYS A 1 38 ? 10.034 39.081 34.798 1.00 0.00 ? 38 LYS A O 17 ATOM 9553 C CB . LYS A 1 38 ? 12.025 41.187 35.303 1.00 0.00 ? 38 LYS A CB 17 ATOM 9554 C CG . LYS A 1 38 ? 13.312 41.955 35.644 1.00 0.00 ? 38 LYS A CG 17 ATOM 9555 C CD . LYS A 1 38 ? 13.620 43.180 34.757 1.00 0.00 ? 38 LYS A CD 17 ATOM 9556 C CE . LYS A 1 38 ? 12.633 44.367 34.838 1.00 0.00 ? 38 LYS A CE 17 ATOM 9557 N NZ . LYS A 1 38 ? 11.348 44.089 34.143 1.00 0.00 ? 38 LYS A NZ 17 ATOM 9558 O OXT . LYS A 1 38 ? 9.508 39.597 36.900 1.00 0.00 ? 38 LYS A OXT 17 ATOM 9559 H H . LYS A 1 38 ? 12.626 38.474 35.032 1.00 0.00 ? 38 LYS A H 17 ATOM 9560 H HA . LYS A 1 38 ? 11.800 40.300 37.239 1.00 0.00 ? 38 LYS A HA 17 ATOM 9561 H HB2 . LYS A 1 38 ? 12.036 40.859 34.241 1.00 0.00 ? 38 LYS A HB2 17 ATOM 9562 H HB3 . LYS A 1 38 ? 11.159 41.857 35.467 1.00 0.00 ? 38 LYS A HB3 17 ATOM 9563 H HG2 . LYS A 1 38 ? 13.271 42.270 36.710 1.00 0.00 ? 38 LYS A HG2 17 ATOM 9564 H HG3 . LYS A 1 38 ? 14.165 41.247 35.554 1.00 0.00 ? 38 LYS A HG3 17 ATOM 9565 H HD2 . LYS A 1 38 ? 14.605 43.556 35.108 1.00 0.00 ? 38 LYS A HD2 17 ATOM 9566 H HD3 . LYS A 1 38 ? 13.763 42.849 33.703 1.00 0.00 ? 38 LYS A HD3 17 ATOM 9567 H HE2 . LYS A 1 38 ? 12.408 44.623 35.898 1.00 0.00 ? 38 LYS A HE2 17 ATOM 9568 H HE3 . LYS A 1 38 ? 13.083 45.254 34.341 1.00 0.00 ? 38 LYS A HE3 17 ATOM 9569 H HZ1 . LYS A 1 38 ? 11.537 43.795 33.163 1.00 0.00 ? 38 LYS A HZ1 17 ATOM 9570 H HZ2 . LYS A 1 38 ? 10.858 43.309 34.628 1.00 0.00 ? 38 LYS A HZ2 17 ATOM 9571 H HZ3 . LYS A 1 38 ? 10.738 44.933 34.152 1.00 0.00 ? 38 LYS A HZ3 17 ATOM 9572 N N . GLU A 1 1 ? 7.232 25.049 0.188 1.00 0.00 ? 1 GLU A N 18 ATOM 9573 C CA . GLU A 1 1 ? 8.227 25.979 0.773 1.00 0.00 ? 1 GLU A CA 18 ATOM 9574 C C . GLU A 1 1 ? 7.434 27.001 1.517 1.00 0.00 ? 1 GLU A C 18 ATOM 9575 O O . GLU A 1 1 ? 7.224 26.869 2.716 1.00 0.00 ? 1 GLU A O 18 ATOM 9576 C CB . GLU A 1 1 ? 9.135 26.584 -0.349 1.00 0.00 ? 1 GLU A CB 18 ATOM 9577 C CG . GLU A 1 1 ? 10.225 25.611 -0.882 1.00 0.00 ? 1 GLU A CG 18 ATOM 9578 C CD . GLU A 1 1 ? 9.641 24.317 -1.454 1.00 0.00 ? 1 GLU A CD 18 ATOM 9579 O OE1 . GLU A 1 1 ? 8.460 24.373 -1.909 1.00 0.00 ? 1 GLU A OE1 18 ATOM 9580 O OE2 . GLU A 1 1 ? 10.294 23.254 -1.346 1.00 0.00 ? 1 GLU A OE2 18 ATOM 9581 H H1 . GLU A 1 1 ? 6.378 25.562 -0.093 1.00 0.00 ? 1 GLU A H1 18 ATOM 9582 H H2 . GLU A 1 1 ? 7.674 24.634 -0.687 1.00 0.00 ? 1 GLU A H2 18 ATOM 9583 H H3 . GLU A 1 1 ? 7.010 24.282 0.855 1.00 0.00 ? 1 GLU A H3 18 ATOM 9584 H HA . GLU A 1 1 ? 8.828 25.435 1.483 1.00 0.00 ? 1 GLU A HA 18 ATOM 9585 H HB2 . GLU A 1 1 ? 8.523 26.917 -1.217 1.00 0.00 ? 1 GLU A HB2 18 ATOM 9586 H HB3 . GLU A 1 1 ? 9.701 27.466 0.029 1.00 0.00 ? 1 GLU A HB3 18 ATOM 9587 H HG2 . GLU A 1 1 ? 10.814 26.105 -1.682 1.00 0.00 ? 1 GLU A HG2 18 ATOM 9588 H HG3 . GLU A 1 1 ? 10.932 25.342 -0.066 1.00 0.00 ? 1 GLU A HG3 18 ATOM 9589 N N . ALA A 1 2 ? 6.868 28.023 0.824 1.00 0.00 ? 2 ALA A N 18 ATOM 9590 C CA . ALA A 1 2 ? 6.004 29.033 1.428 1.00 0.00 ? 2 ALA A CA 18 ATOM 9591 C C . ALA A 1 2 ? 4.548 28.732 1.125 1.00 0.00 ? 2 ALA A C 18 ATOM 9592 O O . ALA A 1 2 ? 3.753 29.600 0.775 1.00 0.00 ? 2 ALA A O 18 ATOM 9593 C CB . ALA A 1 2 ? 6.357 30.450 0.927 1.00 0.00 ? 2 ALA A CB 18 ATOM 9594 H H . ALA A 1 2 ? 7.052 28.163 -0.149 1.00 0.00 ? 2 ALA A H 18 ATOM 9595 H HA . ALA A 1 2 ? 6.112 29.036 2.507 1.00 0.00 ? 2 ALA A HA 18 ATOM 9596 H HB1 . ALA A 1 2 ? 7.422 30.662 1.161 1.00 0.00 ? 2 ALA A HB1 18 ATOM 9597 H HB2 . ALA A 1 2 ? 6.213 30.562 -0.171 1.00 0.00 ? 2 ALA A HB2 18 ATOM 9598 H HB3 . ALA A 1 2 ? 5.740 31.221 1.440 1.00 0.00 ? 2 ALA A HB3 18 ATOM 9599 N N . TYR A 1 3 ? 4.192 27.431 1.258 1.00 0.00 ? 3 TYR A N 18 ATOM 9600 C CA . TYR A 1 3 ? 2.900 26.877 0.901 1.00 0.00 ? 3 TYR A CA 18 ATOM 9601 C C . TYR A 1 3 ? 2.410 26.176 2.133 1.00 0.00 ? 3 TYR A C 18 ATOM 9602 O O . TYR A 1 3 ? 2.397 26.766 3.208 1.00 0.00 ? 3 TYR A O 18 ATOM 9603 C CB . TYR A 1 3 ? 2.953 25.900 -0.318 1.00 0.00 ? 3 TYR A CB 18 ATOM 9604 C CG . TYR A 1 3 ? 3.619 26.578 -1.483 1.00 0.00 ? 3 TYR A CG 18 ATOM 9605 C CD1 . TYR A 1 3 ? 3.187 27.835 -1.948 1.00 0.00 ? 3 TYR A CD1 18 ATOM 9606 C CD2 . TYR A 1 3 ? 4.721 25.972 -2.110 1.00 0.00 ? 3 TYR A CD2 18 ATOM 9607 C CE1 . TYR A 1 3 ? 3.847 28.468 -3.005 1.00 0.00 ? 3 TYR A CE1 18 ATOM 9608 C CE2 . TYR A 1 3 ? 5.389 26.602 -3.168 1.00 0.00 ? 3 TYR A CE2 18 ATOM 9609 C CZ . TYR A 1 3 ? 4.942 27.855 -3.629 1.00 0.00 ? 3 TYR A CZ 18 ATOM 9610 O OH . TYR A 1 3 ? 5.577 28.486 -4.726 1.00 0.00 ? 3 TYR A OH 18 ATOM 9611 H H . TYR A 1 3 ? 4.860 26.798 1.640 1.00 0.00 ? 3 TYR A H 18 ATOM 9612 H HA . TYR A 1 3 ? 2.191 27.669 0.697 1.00 0.00 ? 3 TYR A HA 18 ATOM 9613 H HB2 . TYR A 1 3 ? 3.539 24.977 -0.101 1.00 0.00 ? 3 TYR A HB2 18 ATOM 9614 H HB3 . TYR A 1 3 ? 1.930 25.613 -0.648 1.00 0.00 ? 3 TYR A HB3 18 ATOM 9615 H HD1 . TYR A 1 3 ? 2.351 28.345 -1.487 1.00 0.00 ? 3 TYR A HD1 18 ATOM 9616 H HD2 . TYR A 1 3 ? 5.053 24.998 -1.788 1.00 0.00 ? 3 TYR A HD2 18 ATOM 9617 H HE1 . TYR A 1 3 ? 3.491 29.438 -3.315 1.00 0.00 ? 3 TYR A HE1 18 ATOM 9618 H HE2 . TYR A 1 3 ? 6.232 26.097 -3.617 1.00 0.00 ? 3 TYR A HE2 18 ATOM 9619 H HH . TYR A 1 3 ? 5.039 29.226 -5.025 1.00 0.00 ? 3 TYR A HH 18 ATOM 9620 N N . LYS A 1 4 ? 2.021 24.872 2.025 1.00 0.00 ? 4 LYS A N 18 ATOM 9621 C CA . LYS A 1 4 ? 1.569 24.045 3.145 1.00 0.00 ? 4 LYS A CA 18 ATOM 9622 C C . LYS A 1 4 ? 2.754 23.355 3.768 1.00 0.00 ? 4 LYS A C 18 ATOM 9623 O O . LYS A 1 4 ? 2.700 22.975 4.931 1.00 0.00 ? 4 LYS A O 18 ATOM 9624 C CB . LYS A 1 4 ? 0.496 22.968 2.773 1.00 0.00 ? 4 LYS A CB 18 ATOM 9625 C CG . LYS A 1 4 ? -0.926 23.519 2.564 1.00 0.00 ? 4 LYS A CG 18 ATOM 9626 C CD . LYS A 1 4 ? -1.078 24.527 1.412 1.00 0.00 ? 4 LYS A CD 18 ATOM 9627 C CE . LYS A 1 4 ? -2.525 24.841 1.013 1.00 0.00 ? 4 LYS A CE 18 ATOM 9628 N NZ . LYS A 1 4 ? -3.255 25.552 2.095 1.00 0.00 ? 4 LYS A NZ 18 ATOM 9629 H H . LYS A 1 4 ? 1.979 24.431 1.132 1.00 0.00 ? 4 LYS A H 18 ATOM 9630 H HA . LYS A 1 4 ? 1.132 24.669 3.912 1.00 0.00 ? 4 LYS A HA 18 ATOM 9631 H HB2 . LYS A 1 4 ? 0.818 22.389 1.880 1.00 0.00 ? 4 LYS A HB2 18 ATOM 9632 H HB3 . LYS A 1 4 ? 0.368 22.234 3.609 1.00 0.00 ? 4 LYS A HB3 18 ATOM 9633 H HG2 . LYS A 1 4 ? -1.565 22.632 2.352 1.00 0.00 ? 4 LYS A HG2 18 ATOM 9634 H HG3 . LYS A 1 4 ? -1.261 23.964 3.526 1.00 0.00 ? 4 LYS A HG3 18 ATOM 9635 H HD2 . LYS A 1 4 ? -0.550 25.474 1.663 1.00 0.00 ? 4 LYS A HD2 18 ATOM 9636 H HD3 . LYS A 1 4 ? -0.582 24.090 0.519 1.00 0.00 ? 4 LYS A HD3 18 ATOM 9637 H HE2 . LYS A 1 4 ? -2.527 25.496 0.114 1.00 0.00 ? 4 LYS A HE2 18 ATOM 9638 H HE3 . LYS A 1 4 ? -3.072 23.901 0.783 1.00 0.00 ? 4 LYS A HE3 18 ATOM 9639 H HZ1 . LYS A 1 4 ? -3.270 24.965 2.954 1.00 0.00 ? 4 LYS A HZ1 18 ATOM 9640 H HZ2 . LYS A 1 4 ? -2.776 26.453 2.299 1.00 0.00 ? 4 LYS A HZ2 18 ATOM 9641 H HZ3 . LYS A 1 4 ? -4.232 25.747 1.790 1.00 0.00 ? 4 LYS A HZ3 18 ATOM 9642 N N . LYS A 1 5 ? 3.861 23.222 2.986 1.00 0.00 ? 5 LYS A N 18 ATOM 9643 C CA . LYS A 1 5 ? 5.173 22.768 3.408 1.00 0.00 ? 5 LYS A CA 18 ATOM 9644 C C . LYS A 1 5 ? 5.253 21.259 3.267 1.00 0.00 ? 5 LYS A C 18 ATOM 9645 O O . LYS A 1 5 ? 5.406 20.776 2.147 1.00 0.00 ? 5 LYS A O 18 ATOM 9646 C CB . LYS A 1 5 ? 5.684 23.364 4.771 1.00 0.00 ? 5 LYS A CB 18 ATOM 9647 C CG . LYS A 1 5 ? 5.768 24.917 4.728 1.00 0.00 ? 5 LYS A CG 18 ATOM 9648 C CD . LYS A 1 5 ? 5.433 25.675 6.030 1.00 0.00 ? 5 LYS A CD 18 ATOM 9649 C CE . LYS A 1 5 ? 4.084 26.418 5.953 1.00 0.00 ? 5 LYS A CE 18 ATOM 9650 N NZ . LYS A 1 5 ? 3.877 27.373 7.082 1.00 0.00 ? 5 LYS A NZ 18 ATOM 9651 H H . LYS A 1 5 ? 3.830 23.511 2.037 1.00 0.00 ? 5 LYS A H 18 ATOM 9652 H HA . LYS A 1 5 ? 5.845 23.151 2.650 1.00 0.00 ? 5 LYS A HA 18 ATOM 9653 H HB2 . LYS A 1 5 ? 5.007 23.072 5.603 1.00 0.00 ? 5 LYS A HB2 18 ATOM 9654 H HB3 . LYS A 1 5 ? 6.700 22.981 5.027 1.00 0.00 ? 5 LYS A HB3 18 ATOM 9655 H HG2 . LYS A 1 5 ? 6.798 25.197 4.424 1.00 0.00 ? 5 LYS A HG2 18 ATOM 9656 H HG3 . LYS A 1 5 ? 5.095 25.317 3.936 1.00 0.00 ? 5 LYS A HG3 18 ATOM 9657 H HD2 . LYS A 1 5 ? 5.471 24.990 6.904 1.00 0.00 ? 5 LYS A HD2 18 ATOM 9658 H HD3 . LYS A 1 5 ? 6.233 26.440 6.152 1.00 0.00 ? 5 LYS A HD3 18 ATOM 9659 H HE2 . LYS A 1 5 ? 4.088 27.025 5.023 1.00 0.00 ? 5 LYS A HE2 18 ATOM 9660 H HE3 . LYS A 1 5 ? 3.224 25.712 5.915 1.00 0.00 ? 5 LYS A HE3 18 ATOM 9661 H HZ1 . LYS A 1 5 ? 4.680 28.026 7.190 1.00 0.00 ? 5 LYS A HZ1 18 ATOM 9662 H HZ2 . LYS A 1 5 ? 3.027 27.935 6.864 1.00 0.00 ? 5 LYS A HZ2 18 ATOM 9663 H HZ3 . LYS A 1 5 ? 3.729 26.863 7.979 1.00 0.00 ? 5 LYS A HZ3 18 ATOM 9664 N N . ALA A 1 6 ? 5.118 20.477 4.371 1.00 0.00 ? 6 ALA A N 18 ATOM 9665 C CA . ALA A 1 6 ? 5.027 19.023 4.361 1.00 0.00 ? 6 ALA A CA 18 ATOM 9666 C C . ALA A 1 6 ? 3.572 18.618 4.289 1.00 0.00 ? 6 ALA A C 18 ATOM 9667 O O . ALA A 1 6 ? 2.676 19.429 4.509 1.00 0.00 ? 6 ALA A O 18 ATOM 9668 C CB . ALA A 1 6 ? 5.682 18.375 5.608 1.00 0.00 ? 6 ALA A CB 18 ATOM 9669 H H . ALA A 1 6 ? 4.860 20.868 5.249 1.00 0.00 ? 6 ALA A H 18 ATOM 9670 H HA . ALA A 1 6 ? 5.523 18.635 3.482 1.00 0.00 ? 6 ALA A HA 18 ATOM 9671 H HB1 . ALA A 1 6 ? 6.755 18.664 5.656 1.00 0.00 ? 6 ALA A HB1 18 ATOM 9672 H HB2 . ALA A 1 6 ? 5.190 18.724 6.542 1.00 0.00 ? 6 ALA A HB2 18 ATOM 9673 H HB3 . ALA A 1 6 ? 5.638 17.261 5.586 1.00 0.00 ? 6 ALA A HB3 18 ATOM 9674 N N . LYS A 1 7 ? 3.295 17.319 4.013 1.00 0.00 ? 7 LYS A N 18 ATOM 9675 C CA . LYS A 1 7 ? 1.960 16.762 3.977 1.00 0.00 ? 7 LYS A CA 18 ATOM 9676 C C . LYS A 1 7 ? 1.767 16.069 5.302 1.00 0.00 ? 7 LYS A C 18 ATOM 9677 O O . LYS A 1 7 ? 2.315 14.988 5.531 1.00 0.00 ? 7 LYS A O 18 ATOM 9678 C CB . LYS A 1 7 ? 1.789 15.752 2.805 1.00 0.00 ? 7 LYS A CB 18 ATOM 9679 C CG . LYS A 1 7 ? 0.355 15.599 2.259 1.00 0.00 ? 7 LYS A CG 18 ATOM 9680 C CD . LYS A 1 7 ? -0.575 14.688 3.086 1.00 0.00 ? 7 LYS A CD 18 ATOM 9681 C CE . LYS A 1 7 ? -2.008 14.569 2.551 1.00 0.00 ? 7 LYS A CE 18 ATOM 9682 N NZ . LYS A 1 7 ? -2.031 14.081 1.150 1.00 0.00 ? 7 LYS A NZ 18 ATOM 9683 H H . LYS A 1 7 ? 4.023 16.657 3.869 1.00 0.00 ? 7 LYS A H 18 ATOM 9684 H HA . LYS A 1 7 ? 1.216 17.549 3.859 1.00 0.00 ? 7 LYS A HA 18 ATOM 9685 H HB2 . LYS A 1 7 ? 2.373 16.171 1.958 1.00 0.00 ? 7 LYS A HB2 18 ATOM 9686 H HB3 . LYS A 1 7 ? 2.225 14.748 3.028 1.00 0.00 ? 7 LYS A HB3 18 ATOM 9687 H HG2 . LYS A 1 7 ? -0.093 16.608 2.135 1.00 0.00 ? 7 LYS A HG2 18 ATOM 9688 H HG3 . LYS A 1 7 ? 0.479 15.163 1.247 1.00 0.00 ? 7 LYS A HG3 18 ATOM 9689 H HD2 . LYS A 1 7 ? -0.111 13.680 3.160 1.00 0.00 ? 7 LYS A HD2 18 ATOM 9690 H HD3 . LYS A 1 7 ? -0.671 15.076 4.124 1.00 0.00 ? 7 LYS A HD3 18 ATOM 9691 H HE2 . LYS A 1 7 ? -2.579 13.847 3.173 1.00 0.00 ? 7 LYS A HE2 18 ATOM 9692 H HE3 . LYS A 1 7 ? -2.524 15.554 2.578 1.00 0.00 ? 7 LYS A HE3 18 ATOM 9693 H HZ1 . LYS A 1 7 ? -1.460 13.218 1.063 1.00 0.00 ? 7 LYS A HZ1 18 ATOM 9694 H HZ2 . LYS A 1 7 ? -3.013 13.870 0.882 1.00 0.00 ? 7 LYS A HZ2 18 ATOM 9695 H HZ3 . LYS A 1 7 ? -1.657 14.809 0.509 1.00 0.00 ? 7 LYS A HZ3 18 ATOM 9696 N N . GLN A 1 8 ? 0.946 16.689 6.202 1.00 0.00 ? 8 GLN A N 18 ATOM 9697 C CA . GLN A 1 8 ? 0.576 16.210 7.526 1.00 0.00 ? 8 GLN A CA 18 ATOM 9698 C C . GLN A 1 8 ? -0.489 15.148 7.357 1.00 0.00 ? 8 GLN A C 18 ATOM 9699 O O . GLN A 1 8 ? -1.666 15.419 7.144 1.00 0.00 ? 8 GLN A O 18 ATOM 9700 C CB . GLN A 1 8 ? 0.045 17.341 8.448 1.00 0.00 ? 8 GLN A CB 18 ATOM 9701 C CG . GLN A 1 8 ? 1.017 18.538 8.523 1.00 0.00 ? 8 GLN A CG 18 ATOM 9702 C CD . GLN A 1 8 ? 0.647 19.647 9.529 1.00 0.00 ? 8 GLN A CD 18 ATOM 9703 O OE1 . GLN A 1 8 ? 1.487 20.537 9.613 1.00 0.00 ? 8 GLN A OE1 18 ATOM 9704 N NE2 . GLN A 1 8 ? -0.487 19.682 10.267 1.00 0.00 ? 8 GLN A NE2 18 ATOM 9705 H H . GLN A 1 8 ? 0.544 17.578 5.990 1.00 0.00 ? 8 GLN A H 18 ATOM 9706 H HA . GLN A 1 8 ? 1.453 15.780 7.998 1.00 0.00 ? 8 GLN A HA 18 ATOM 9707 H HB2 . GLN A 1 8 ? -0.934 17.686 8.060 1.00 0.00 ? 8 GLN A HB2 18 ATOM 9708 H HB3 . GLN A 1 8 ? -0.122 16.950 9.477 1.00 0.00 ? 8 GLN A HB3 18 ATOM 9709 H HG2 . GLN A 1 8 ? 2.033 18.180 8.789 1.00 0.00 ? 8 GLN A HG2 18 ATOM 9710 H HG3 . GLN A 1 8 ? 1.081 19.019 7.524 1.00 0.00 ? 8 GLN A HG3 18 ATOM 9711 H HE21 . GLN A 1 8 ? -0.905 18.808 10.606 1.00 0.00 ? 8 GLN A HE21 18 ATOM 9712 H HE22 . GLN A 1 8 ? -0.711 20.524 10.753 1.00 0.00 ? 8 GLN A HE22 18 ATOM 9713 N N . ALA A 1 9 ? -0.001 13.892 7.330 1.00 0.00 ? 9 ALA A N 18 ATOM 9714 C CA . ALA A 1 9 ? -0.668 12.731 6.794 1.00 0.00 ? 9 ALA A CA 18 ATOM 9715 C C . ALA A 1 9 ? -1.269 11.947 7.916 1.00 0.00 ? 9 ALA A C 18 ATOM 9716 O O . ALA A 1 9 ? -2.373 11.415 7.794 1.00 0.00 ? 9 ALA A O 18 ATOM 9717 C CB . ALA A 1 9 ? 0.359 11.854 6.032 1.00 0.00 ? 9 ALA A CB 18 ATOM 9718 H H . ALA A 1 9 ? 0.965 13.767 7.540 1.00 0.00 ? 9 ALA A H 18 ATOM 9719 H HA . ALA A 1 9 ? -1.472 13.017 6.125 1.00 0.00 ? 9 ALA A HA 18 ATOM 9720 H HB1 . ALA A 1 9 ? 1.260 11.653 6.658 1.00 0.00 ? 9 ALA A HB1 18 ATOM 9721 H HB2 . ALA A 1 9 ? -0.054 10.874 5.697 1.00 0.00 ? 9 ALA A HB2 18 ATOM 9722 H HB3 . ALA A 1 9 ? 0.698 12.414 5.136 1.00 0.00 ? 9 ALA A HB3 18 ATOM 9723 N N . SER A 1 10 ? -0.516 11.843 9.031 1.00 0.00 ? 10 SER A N 18 ATOM 9724 C CA . SER A 1 10 ? -0.914 11.191 10.241 1.00 0.00 ? 10 SER A CA 18 ATOM 9725 C C . SER A 1 10 ? 0.188 11.546 11.164 1.00 0.00 ? 10 SER A C 18 ATOM 9726 O O . SER A 1 10 ? 1.054 12.361 10.809 1.00 0.00 ? 10 SER A O 18 ATOM 9727 C CB . SER A 1 10 ? -1.088 9.644 10.141 1.00 0.00 ? 10 SER A CB 18 ATOM 9728 O OG . SER A 1 10 ? -2.197 9.330 9.310 1.00 0.00 ? 10 SER A OG 18 ATOM 9729 H H . SER A 1 10 ? 0.387 12.271 9.131 1.00 0.00 ? 10 SER A H 18 ATOM 9730 H HA . SER A 1 10 ? -1.774 11.694 10.635 1.00 0.00 ? 10 SER A HA 18 ATOM 9731 H HB2 . SER A 1 10 ? -0.176 9.175 9.708 1.00 0.00 ? 10 SER A HB2 18 ATOM 9732 H HB3 . SER A 1 10 ? -1.285 9.173 11.130 1.00 0.00 ? 10 SER A HB3 18 ATOM 9733 H HG . SER A 1 10 ? -2.299 10.095 8.691 1.00 0.00 ? 10 SER A HG 18 ATOM 9734 N N . GLN A 1 11 ? 0.172 10.917 12.374 1.00 0.00 ? 11 GLN A N 18 ATOM 9735 C CA . GLN A 1 11 ? 0.929 11.251 13.562 1.00 0.00 ? 11 GLN A CA 18 ATOM 9736 C C . GLN A 1 11 ? 2.415 11.062 13.400 1.00 0.00 ? 11 GLN A C 18 ATOM 9737 O O . GLN A 1 11 ? 3.184 11.745 14.042 1.00 0.00 ? 11 GLN A O 18 ATOM 9738 C CB . GLN A 1 11 ? 0.424 10.494 14.817 1.00 0.00 ? 11 GLN A CB 18 ATOM 9739 C CG . GLN A 1 11 ? 0.328 8.967 14.636 1.00 0.00 ? 11 GLN A CG 18 ATOM 9740 C CD . GLN A 1 11 ? 0.252 8.287 16.005 1.00 0.00 ? 11 GLN A CD 18 ATOM 9741 O OE1 . GLN A 1 11 ? 1.134 7.494 16.315 1.00 0.00 ? 11 GLN A OE1 18 ATOM 9742 N NE2 . GLN A 1 11 ? -0.746 8.598 16.871 1.00 0.00 ? 11 GLN A NE2 18 ATOM 9743 H H . GLN A 1 11 ? -0.486 10.192 12.546 1.00 0.00 ? 11 GLN A H 18 ATOM 9744 H HA . GLN A 1 11 ? 0.775 12.305 13.753 1.00 0.00 ? 11 GLN A HA 18 ATOM 9745 H HB2 . GLN A 1 11 ? 1.065 10.743 15.698 1.00 0.00 ? 11 GLN A HB2 18 ATOM 9746 H HB3 . GLN A 1 11 ? -0.601 10.851 15.054 1.00 0.00 ? 11 GLN A HB3 18 ATOM 9747 H HG2 . GLN A 1 11 ? -0.550 8.698 14.011 1.00 0.00 ? 11 GLN A HG2 18 ATOM 9748 H HG3 . GLN A 1 11 ? 1.234 8.560 14.133 1.00 0.00 ? 11 GLN A HG3 18 ATOM 9749 H HE21 . GLN A 1 11 ? -1.468 9.238 16.615 1.00 0.00 ? 11 GLN A HE21 18 ATOM 9750 H HE22 . GLN A 1 11 ? -0.757 8.146 17.767 1.00 0.00 ? 11 GLN A HE22 18 ATOM 9751 N N . ASP A 1 12 ? 2.882 10.218 12.451 1.00 0.00 ? 12 ASP A N 18 ATOM 9752 C CA . ASP A 1 12 ? 4.264 10.053 12.009 1.00 0.00 ? 12 ASP A CA 18 ATOM 9753 C C . ASP A 1 12 ? 4.880 11.274 11.380 1.00 0.00 ? 12 ASP A C 18 ATOM 9754 O O . ASP A 1 12 ? 6.080 11.519 11.495 1.00 0.00 ? 12 ASP A O 18 ATOM 9755 C CB . ASP A 1 12 ? 4.330 8.974 10.902 1.00 0.00 ? 12 ASP A CB 18 ATOM 9756 C CG . ASP A 1 12 ? 4.004 7.667 11.571 1.00 0.00 ? 12 ASP A CG 18 ATOM 9757 O OD1 . ASP A 1 12 ? 2.802 7.512 11.916 1.00 0.00 ? 12 ASP A OD1 18 ATOM 9758 O OD2 . ASP A 1 12 ? 4.920 6.829 11.750 1.00 0.00 ? 12 ASP A OD2 18 ATOM 9759 H H . ASP A 1 12 ? 2.295 9.497 12.070 1.00 0.00 ? 12 ASP A H 18 ATOM 9760 H HA . ASP A 1 12 ? 4.866 9.786 12.871 1.00 0.00 ? 12 ASP A HA 18 ATOM 9761 H HB2 . ASP A 1 12 ? 3.576 9.174 10.099 1.00 0.00 ? 12 ASP A HB2 18 ATOM 9762 H HB3 . ASP A 1 12 ? 5.324 8.871 10.419 1.00 0.00 ? 12 ASP A HB3 18 ATOM 9763 N N . ALA A 1 13 ? 4.024 12.100 10.718 1.00 0.00 ? 13 ALA A N 18 ATOM 9764 C CA . ALA A 1 13 ? 4.456 13.326 10.061 1.00 0.00 ? 13 ALA A CA 18 ATOM 9765 C C . ALA A 1 13 ? 4.307 14.469 11.032 1.00 0.00 ? 13 ALA A C 18 ATOM 9766 O O . ALA A 1 13 ? 5.193 15.313 11.142 1.00 0.00 ? 13 ALA A O 18 ATOM 9767 C CB . ALA A 1 13 ? 3.668 13.642 8.762 1.00 0.00 ? 13 ALA A CB 18 ATOM 9768 H H . ALA A 1 13 ? 3.024 11.916 10.726 1.00 0.00 ? 13 ALA A H 18 ATOM 9769 H HA . ALA A 1 13 ? 5.507 13.261 9.793 1.00 0.00 ? 13 ALA A HA 18 ATOM 9770 H HB1 . ALA A 1 13 ? 2.573 13.708 8.947 1.00 0.00 ? 13 ALA A HB1 18 ATOM 9771 H HB2 . ALA A 1 13 ? 3.999 14.598 8.293 1.00 0.00 ? 13 ALA A HB2 18 ATOM 9772 H HB3 . ALA A 1 13 ? 3.835 12.834 8.017 1.00 0.00 ? 13 ALA A HB3 18 ATOM 9773 N N . GLU A 1 14 ? 3.188 14.474 11.806 1.00 0.00 ? 14 GLU A N 18 ATOM 9774 C CA . GLU A 1 14 ? 2.788 15.533 12.718 1.00 0.00 ? 14 GLU A CA 18 ATOM 9775 C C . GLU A 1 14 ? 3.505 15.470 14.061 1.00 0.00 ? 14 GLU A C 18 ATOM 9776 O O . GLU A 1 14 ? 3.625 16.482 14.741 1.00 0.00 ? 14 GLU A O 18 ATOM 9777 C CB . GLU A 1 14 ? 1.234 15.592 12.868 1.00 0.00 ? 14 GLU A CB 18 ATOM 9778 C CG . GLU A 1 14 ? 0.686 17.016 12.660 1.00 0.00 ? 14 GLU A CG 18 ATOM 9779 C CD . GLU A 1 14 ? -0.843 17.026 12.575 1.00 0.00 ? 14 GLU A CD 18 ATOM 9780 O OE1 . GLU A 1 14 ? -1.523 16.585 13.539 1.00 0.00 ? 14 GLU A OE1 18 ATOM 9781 O OE2 . GLU A 1 14 ? -1.345 17.519 11.528 1.00 0.00 ? 14 GLU A OE2 18 ATOM 9782 H H . GLU A 1 14 ? 2.519 13.741 11.689 1.00 0.00 ? 14 GLU A H 18 ATOM 9783 H HA . GLU A 1 14 ? 3.083 16.473 12.264 1.00 0.00 ? 14 GLU A HA 18 ATOM 9784 H HB2 . GLU A 1 14 ? 0.794 14.994 12.041 1.00 0.00 ? 14 GLU A HB2 18 ATOM 9785 H HB3 . GLU A 1 14 ? 0.836 15.166 13.820 1.00 0.00 ? 14 GLU A HB3 18 ATOM 9786 H HG2 . GLU A 1 14 ? 1.016 17.680 13.485 1.00 0.00 ? 14 GLU A HG2 18 ATOM 9787 H HG3 . GLU A 1 14 ? 1.114 17.405 11.712 1.00 0.00 ? 14 GLU A HG3 18 ATOM 9788 N N . GLN A 1 15 ? 4.056 14.283 14.449 1.00 0.00 ? 15 GLN A N 18 ATOM 9789 C CA . GLN A 1 15 ? 4.938 14.061 15.592 1.00 0.00 ? 15 GLN A CA 18 ATOM 9790 C C . GLN A 1 15 ? 6.374 14.402 15.286 1.00 0.00 ? 15 GLN A C 18 ATOM 9791 O O . GLN A 1 15 ? 7.056 14.998 16.114 1.00 0.00 ? 15 GLN A O 18 ATOM 9792 C CB . GLN A 1 15 ? 4.949 12.593 16.127 1.00 0.00 ? 15 GLN A CB 18 ATOM 9793 C CG . GLN A 1 15 ? 5.674 12.357 17.459 1.00 0.00 ? 15 GLN A CG 18 ATOM 9794 C CD . GLN A 1 15 ? 4.990 13.156 18.560 1.00 0.00 ? 15 GLN A CD 18 ATOM 9795 O OE1 . GLN A 1 15 ? 3.827 13.547 18.493 1.00 0.00 ? 15 GLN A OE1 18 ATOM 9796 N NE2 . GLN A 1 15 ? 5.737 13.431 19.647 1.00 0.00 ? 15 GLN A NE2 18 ATOM 9797 H H . GLN A 1 15 ? 3.805 13.430 13.972 1.00 0.00 ? 15 GLN A H 18 ATOM 9798 H HA . GLN A 1 15 ? 4.614 14.703 16.393 1.00 0.00 ? 15 GLN A HA 18 ATOM 9799 H HB2 . GLN A 1 15 ? 3.899 12.240 16.247 1.00 0.00 ? 15 GLN A HB2 18 ATOM 9800 H HB3 . GLN A 1 15 ? 5.402 11.908 15.373 1.00 0.00 ? 15 GLN A HB3 18 ATOM 9801 H HG2 . GLN A 1 15 ? 5.599 11.276 17.691 1.00 0.00 ? 15 GLN A HG2 18 ATOM 9802 H HG3 . GLN A 1 15 ? 6.753 12.618 17.393 1.00 0.00 ? 15 GLN A HG3 18 ATOM 9803 H HE21 . GLN A 1 15 ? 6.720 13.243 19.637 1.00 0.00 ? 15 GLN A HE21 18 ATOM 9804 H HE22 . GLN A 1 15 ? 5.291 13.857 20.437 1.00 0.00 ? 15 GLN A HE22 18 ATOM 9805 N N . ALA A 1 16 ? 6.874 14.060 14.068 1.00 0.00 ? 16 ALA A N 18 ATOM 9806 C CA . ALA A 1 16 ? 8.247 14.335 13.643 1.00 0.00 ? 16 ALA A CA 18 ATOM 9807 C C . ALA A 1 16 ? 8.505 15.814 13.402 1.00 0.00 ? 16 ALA A C 18 ATOM 9808 O O . ALA A 1 16 ? 9.555 16.351 13.745 1.00 0.00 ? 16 ALA A O 18 ATOM 9809 C CB . ALA A 1 16 ? 8.595 13.560 12.359 1.00 0.00 ? 16 ALA A CB 18 ATOM 9810 H H . ALA A 1 16 ? 6.321 13.534 13.425 1.00 0.00 ? 16 ALA A H 18 ATOM 9811 H HA . ALA A 1 16 ? 8.917 14.006 14.428 1.00 0.00 ? 16 ALA A HA 18 ATOM 9812 H HB1 . ALA A 1 16 ? 8.361 12.487 12.523 1.00 0.00 ? 16 ALA A HB1 18 ATOM 9813 H HB2 . ALA A 1 16 ? 7.994 13.899 11.485 1.00 0.00 ? 16 ALA A HB2 18 ATOM 9814 H HB3 . ALA A 1 16 ? 9.676 13.639 12.108 1.00 0.00 ? 16 ALA A HB3 18 ATOM 9815 N N . ALA A 1 17 ? 7.460 16.523 12.888 1.00 0.00 ? 17 ALA A N 18 ATOM 9816 C CA . ALA A 1 17 ? 7.424 17.968 12.704 1.00 0.00 ? 17 ALA A CA 18 ATOM 9817 C C . ALA A 1 17 ? 7.290 18.787 13.991 1.00 0.00 ? 17 ALA A C 18 ATOM 9818 O O . ALA A 1 17 ? 7.539 19.992 13.998 1.00 0.00 ? 17 ALA A O 18 ATOM 9819 C CB . ALA A 1 17 ? 6.250 18.343 11.769 1.00 0.00 ? 17 ALA A CB 18 ATOM 9820 H H . ALA A 1 17 ? 6.653 16.030 12.542 1.00 0.00 ? 17 ALA A H 18 ATOM 9821 H HA . ALA A 1 17 ? 8.345 18.261 12.222 1.00 0.00 ? 17 ALA A HA 18 ATOM 9822 H HB1 . ALA A 1 17 ? 6.324 17.737 10.838 1.00 0.00 ? 17 ALA A HB1 18 ATOM 9823 H HB2 . ALA A 1 17 ? 5.263 18.113 12.230 1.00 0.00 ? 17 ALA A HB2 18 ATOM 9824 H HB3 . ALA A 1 17 ? 6.266 19.415 11.477 1.00 0.00 ? 17 ALA A HB3 18 ATOM 9825 N N . LYS A 1 18 ? 6.912 18.129 15.123 1.00 0.00 ? 18 LYS A N 18 ATOM 9826 C CA . LYS A 1 18 ? 6.613 18.717 16.425 1.00 0.00 ? 18 LYS A CA 18 ATOM 9827 C C . LYS A 1 18 ? 7.866 19.035 17.206 1.00 0.00 ? 18 LYS A C 18 ATOM 9828 O O . LYS A 1 18 ? 7.900 19.973 17.994 1.00 0.00 ? 18 LYS A O 18 ATOM 9829 C CB . LYS A 1 18 ? 5.734 17.752 17.276 1.00 0.00 ? 18 LYS A CB 18 ATOM 9830 C CG . LYS A 1 18 ? 4.259 18.149 17.361 1.00 0.00 ? 18 LYS A CG 18 ATOM 9831 C CD . LYS A 1 18 ? 3.415 17.015 17.971 1.00 0.00 ? 18 LYS A CD 18 ATOM 9832 C CE . LYS A 1 18 ? 1.945 16.975 17.554 1.00 0.00 ? 18 LYS A CE 18 ATOM 9833 N NZ . LYS A 1 18 ? 1.184 18.042 18.222 1.00 0.00 ? 18 LYS A NZ 18 ATOM 9834 H H . LYS A 1 18 ? 6.807 17.135 15.069 1.00 0.00 ? 18 LYS A H 18 ATOM 9835 H HA . LYS A 1 18 ? 6.077 19.647 16.276 1.00 0.00 ? 18 LYS A HA 18 ATOM 9836 H HB2 . LYS A 1 18 ? 5.751 16.775 16.763 1.00 0.00 ? 18 LYS A HB2 18 ATOM 9837 H HB3 . LYS A 1 18 ? 6.109 17.535 18.303 1.00 0.00 ? 18 LYS A HB3 18 ATOM 9838 H HG2 . LYS A 1 18 ? 4.157 19.100 17.925 1.00 0.00 ? 18 LYS A HG2 18 ATOM 9839 H HG3 . LYS A 1 18 ? 3.922 18.323 16.316 1.00 0.00 ? 18 LYS A HG3 18 ATOM 9840 H HD2 . LYS A 1 18 ? 3.821 16.064 17.579 1.00 0.00 ? 18 LYS A HD2 18 ATOM 9841 H HD3 . LYS A 1 18 ? 3.527 16.979 19.075 1.00 0.00 ? 18 LYS A HD3 18 ATOM 9842 H HE2 . LYS A 1 18 ? 1.829 17.106 16.455 1.00 0.00 ? 18 LYS A HE2 18 ATOM 9843 H HE3 . LYS A 1 18 ? 1.499 15.997 17.840 1.00 0.00 ? 18 LYS A HE3 18 ATOM 9844 H HZ1 . LYS A 1 18 ? 1.261 17.969 19.258 1.00 0.00 ? 18 LYS A HZ1 18 ATOM 9845 H HZ2 . LYS A 1 18 ? 1.564 18.953 17.899 1.00 0.00 ? 18 LYS A HZ2 18 ATOM 9846 H HZ3 . LYS A 1 18 ? 0.190 17.943 17.933 1.00 0.00 ? 18 LYS A HZ3 18 ATOM 9847 N N . ASP A 1 19 ? 8.948 18.260 16.953 1.00 0.00 ? 19 ASP A N 18 ATOM 9848 C CA . ASP A 1 19 ? 10.236 18.239 17.646 1.00 0.00 ? 19 ASP A CA 18 ATOM 9849 C C . ASP A 1 19 ? 11.128 19.431 17.285 1.00 0.00 ? 19 ASP A C 18 ATOM 9850 O O . ASP A 1 19 ? 12.166 19.687 17.890 1.00 0.00 ? 19 ASP A O 18 ATOM 9851 C CB . ASP A 1 19 ? 10.947 16.877 17.348 1.00 0.00 ? 19 ASP A CB 18 ATOM 9852 C CG . ASP A 1 19 ? 11.968 16.511 18.423 1.00 0.00 ? 19 ASP A CG 18 ATOM 9853 O OD1 . ASP A 1 19 ? 11.578 16.578 19.620 1.00 0.00 ? 19 ASP A OD1 18 ATOM 9854 O OD2 . ASP A 1 19 ? 13.120 16.142 18.081 1.00 0.00 ? 19 ASP A OD2 18 ATOM 9855 H H . ASP A 1 19 ? 8.832 17.538 16.280 1.00 0.00 ? 19 ASP A H 18 ATOM 9856 H HA . ASP A 1 19 ? 10.036 18.288 18.708 1.00 0.00 ? 19 ASP A HA 18 ATOM 9857 H HB2 . ASP A 1 19 ? 10.184 16.072 17.399 1.00 0.00 ? 19 ASP A HB2 18 ATOM 9858 H HB3 . ASP A 1 19 ? 11.406 16.826 16.336 1.00 0.00 ? 19 ASP A HB3 18 ATOM 9859 N N . ALA A 1 20 ? 10.678 20.220 16.272 1.00 0.00 ? 20 ALA A N 18 ATOM 9860 C CA . ALA A 1 20 ? 11.316 21.413 15.759 1.00 0.00 ? 20 ALA A CA 18 ATOM 9861 C C . ALA A 1 20 ? 10.838 22.665 16.470 1.00 0.00 ? 20 ALA A C 18 ATOM 9862 O O . ALA A 1 20 ? 11.600 23.602 16.708 1.00 0.00 ? 20 ALA A O 18 ATOM 9863 C CB . ALA A 1 20 ? 11.047 21.520 14.239 1.00 0.00 ? 20 ALA A CB 18 ATOM 9864 H H . ALA A 1 20 ? 9.797 20.004 15.857 1.00 0.00 ? 20 ALA A H 18 ATOM 9865 H HA . ALA A 1 20 ? 12.386 21.333 15.918 1.00 0.00 ? 20 ALA A HA 18 ATOM 9866 H HB1 . ALA A 1 20 ? 11.329 20.556 13.759 1.00 0.00 ? 20 ALA A HB1 18 ATOM 9867 H HB2 . ALA A 1 20 ? 9.969 21.697 14.014 1.00 0.00 ? 20 ALA A HB2 18 ATOM 9868 H HB3 . ALA A 1 20 ? 11.646 22.337 13.779 1.00 0.00 ? 20 ALA A HB3 18 ATOM 9869 N N . GLU A 1 21 ? 9.528 22.707 16.833 1.00 0.00 ? 21 GLU A N 18 ATOM 9870 C CA . GLU A 1 21 ? 8.893 23.777 17.587 1.00 0.00 ? 21 GLU A CA 18 ATOM 9871 C C . GLU A 1 21 ? 8.961 23.498 19.062 1.00 0.00 ? 21 GLU A C 18 ATOM 9872 O O . GLU A 1 21 ? 9.332 24.374 19.846 1.00 0.00 ? 21 GLU A O 18 ATOM 9873 C CB . GLU A 1 21 ? 7.427 24.017 17.147 1.00 0.00 ? 21 GLU A CB 18 ATOM 9874 C CG . GLU A 1 21 ? 7.293 25.331 16.354 1.00 0.00 ? 21 GLU A CG 18 ATOM 9875 C CD . GLU A 1 21 ? 7.143 26.572 17.271 1.00 0.00 ? 21 GLU A CD 18 ATOM 9876 O OE1 . GLU A 1 21 ? 7.126 26.442 18.533 1.00 0.00 ? 21 GLU A OE1 18 ATOM 9877 O OE2 . GLU A 1 21 ? 7.033 27.690 16.709 1.00 0.00 ? 21 GLU A OE2 18 ATOM 9878 H H . GLU A 1 21 ? 8.945 21.924 16.629 1.00 0.00 ? 21 GLU A H 18 ATOM 9879 H HA . GLU A 1 21 ? 9.437 24.704 17.427 1.00 0.00 ? 21 GLU A HA 18 ATOM 9880 H HB2 . GLU A 1 21 ? 7.146 23.171 16.479 1.00 0.00 ? 21 GLU A HB2 18 ATOM 9881 H HB3 . GLU A 1 21 ? 6.672 24.040 17.967 1.00 0.00 ? 21 GLU A HB3 18 ATOM 9882 H HG2 . GLU A 1 21 ? 8.181 25.430 15.690 1.00 0.00 ? 21 GLU A HG2 18 ATOM 9883 H HG3 . GLU A 1 21 ? 6.396 25.217 15.715 1.00 0.00 ? 21 GLU A HG3 18 ATOM 9884 N N . ASN A 1 22 ? 8.684 22.225 19.493 1.00 0.00 ? 22 ASN A N 18 ATOM 9885 C CA . ASN A 1 22 ? 8.586 21.803 20.904 1.00 0.00 ? 22 ASN A CA 18 ATOM 9886 C C . ASN A 1 22 ? 9.935 21.754 21.622 1.00 0.00 ? 22 ASN A C 18 ATOM 9887 O O . ASN A 1 22 ? 10.006 21.495 22.818 1.00 0.00 ? 22 ASN A O 18 ATOM 9888 C CB . ASN A 1 22 ? 7.951 20.390 21.159 1.00 0.00 ? 22 ASN A CB 18 ATOM 9889 C CG . ASN A 1 22 ? 6.454 20.261 20.851 1.00 0.00 ? 22 ASN A CG 18 ATOM 9890 O OD1 . ASN A 1 22 ? 5.633 21.180 20.855 1.00 0.00 ? 22 ASN A OD1 18 ATOM 9891 N ND2 . ASN A 1 22 ? 6.053 18.995 20.574 1.00 0.00 ? 22 ASN A ND2 18 ATOM 9892 H H . ASN A 1 22 ? 8.460 21.497 18.826 1.00 0.00 ? 22 ASN A H 18 ATOM 9893 H HA . ASN A 1 22 ? 7.964 22.518 21.412 1.00 0.00 ? 22 ASN A HA 18 ATOM 9894 H HB2 . ASN A 1 22 ? 8.520 19.644 20.561 1.00 0.00 ? 22 ASN A HB2 18 ATOM 9895 H HB3 . ASN A 1 22 ? 8.026 20.108 22.237 1.00 0.00 ? 22 ASN A HB3 18 ATOM 9896 H HD21 . ASN A 1 22 ? 6.727 18.251 20.581 1.00 0.00 ? 22 ASN A HD21 18 ATOM 9897 H HD22 . ASN A 1 22 ? 5.088 18.832 20.379 1.00 0.00 ? 22 ASN A HD22 18 ATOM 9898 N N . ALA A 1 23 ? 11.027 22.079 20.893 1.00 0.00 ? 23 ALA A N 18 ATOM 9899 C CA . ALA A 1 23 ? 12.403 22.113 21.326 1.00 0.00 ? 23 ALA A CA 18 ATOM 9900 C C . ALA A 1 23 ? 12.729 23.447 21.948 1.00 0.00 ? 23 ALA A C 18 ATOM 9901 O O . ALA A 1 23 ? 13.597 23.539 22.814 1.00 0.00 ? 23 ALA A O 18 ATOM 9902 C CB . ALA A 1 23 ? 13.351 21.862 20.134 1.00 0.00 ? 23 ALA A CB 18 ATOM 9903 H H . ALA A 1 23 ? 10.877 22.370 19.955 1.00 0.00 ? 23 ALA A H 18 ATOM 9904 H HA . ALA A 1 23 ? 12.565 21.350 22.080 1.00 0.00 ? 23 ALA A HA 18 ATOM 9905 H HB1 . ALA A 1 23 ? 13.126 22.533 19.273 1.00 0.00 ? 23 ALA A HB1 18 ATOM 9906 H HB2 . ALA A 1 23 ? 14.424 21.978 20.404 1.00 0.00 ? 23 ALA A HB2 18 ATOM 9907 H HB3 . ALA A 1 23 ? 13.206 20.817 19.789 1.00 0.00 ? 23 ALA A HB3 18 ATOM 9908 N N . SER A 1 24 ? 11.998 24.523 21.541 1.00 0.00 ? 24 SER A N 18 ATOM 9909 C CA . SER A 1 24 ? 12.069 25.859 22.120 1.00 0.00 ? 24 SER A CA 18 ATOM 9910 C C . SER A 1 24 ? 11.100 26.044 23.279 1.00 0.00 ? 24 SER A C 18 ATOM 9911 O O . SER A 1 24 ? 11.240 26.960 24.079 1.00 0.00 ? 24 SER A O 18 ATOM 9912 C CB . SER A 1 24 ? 11.908 26.996 21.053 1.00 0.00 ? 24 SER A CB 18 ATOM 9913 O OG . SER A 1 24 ? 11.302 26.526 19.848 1.00 0.00 ? 24 SER A OG 18 ATOM 9914 H H . SER A 1 24 ? 11.397 24.465 20.742 1.00 0.00 ? 24 SER A H 18 ATOM 9915 H HA . SER A 1 24 ? 13.044 25.988 22.565 1.00 0.00 ? 24 SER A HA 18 ATOM 9916 H HB2 . SER A 1 24 ? 11.366 27.903 21.418 1.00 0.00 ? 24 SER A HB2 18 ATOM 9917 H HB3 . SER A 1 24 ? 12.928 27.334 20.770 1.00 0.00 ? 24 SER A HB3 18 ATOM 9918 H HG . SER A 1 24 ? 10.386 26.279 20.053 1.00 0.00 ? 24 SER A HG 18 ATOM 9919 N N . LYS A 1 25 ? 10.138 25.103 23.434 1.00 0.00 ? 25 LYS A N 18 ATOM 9920 C CA . LYS A 1 25 ? 9.045 25.093 24.402 1.00 0.00 ? 25 LYS A CA 18 ATOM 9921 C C . LYS A 1 25 ? 9.426 24.495 25.732 1.00 0.00 ? 25 LYS A C 18 ATOM 9922 O O . LYS A 1 25 ? 8.796 24.753 26.758 1.00 0.00 ? 25 LYS A O 18 ATOM 9923 C CB . LYS A 1 25 ? 7.815 24.406 23.766 1.00 0.00 ? 25 LYS A CB 18 ATOM 9924 C CG . LYS A 1 25 ? 7.136 25.482 22.931 1.00 0.00 ? 25 LYS A CG 18 ATOM 9925 C CD . LYS A 1 25 ? 6.127 25.176 21.838 1.00 0.00 ? 25 LYS A CD 18 ATOM 9926 C CE . LYS A 1 25 ? 5.241 26.416 21.633 1.00 0.00 ? 25 LYS A CE 18 ATOM 9927 N NZ . LYS A 1 25 ? 6.028 27.692 21.547 1.00 0.00 ? 25 LYS A NZ 18 ATOM 9928 H H . LYS A 1 25 ? 10.121 24.340 22.794 1.00 0.00 ? 25 LYS A H 18 ATOM 9929 H HA . LYS A 1 25 ? 8.764 26.115 24.621 1.00 0.00 ? 25 LYS A HA 18 ATOM 9930 H HB2 . LYS A 1 25 ? 8.174 23.581 23.127 1.00 0.00 ? 25 LYS A HB2 18 ATOM 9931 H HB3 . LYS A 1 25 ? 7.097 23.993 24.509 1.00 0.00 ? 25 LYS A HB3 18 ATOM 9932 H HG2 . LYS A 1 25 ? 6.628 26.115 23.689 1.00 0.00 ? 25 LYS A HG2 18 ATOM 9933 H HG3 . LYS A 1 25 ? 7.931 26.067 22.426 1.00 0.00 ? 25 LYS A HG3 18 ATOM 9934 H HD2 . LYS A 1 25 ? 6.657 24.954 20.883 1.00 0.00 ? 25 LYS A HD2 18 ATOM 9935 H HD3 . LYS A 1 25 ? 5.494 24.300 22.100 1.00 0.00 ? 25 LYS A HD3 18 ATOM 9936 H HE2 . LYS A 1 25 ? 4.647 26.312 20.699 1.00 0.00 ? 25 LYS A HE2 18 ATOM 9937 H HE3 . LYS A 1 25 ? 4.555 26.528 22.501 1.00 0.00 ? 25 LYS A HE3 18 ATOM 9938 H HZ1 . LYS A 1 25 ? 6.680 27.668 20.732 1.00 0.00 ? 25 LYS A HZ1 18 ATOM 9939 H HZ2 . LYS A 1 25 ? 5.354 28.464 21.408 1.00 0.00 ? 25 LYS A HZ2 18 ATOM 9940 H HZ3 . LYS A 1 25 ? 6.592 27.921 22.448 1.00 0.00 ? 25 LYS A HZ3 18 ATOM 9941 N N . GLU A 1 26 ? 10.563 23.760 25.751 1.00 0.00 ? 26 GLU A N 18 ATOM 9942 C CA . GLU A 1 26 ? 11.235 23.301 26.955 1.00 0.00 ? 26 GLU A CA 18 ATOM 9943 C C . GLU A 1 26 ? 12.139 24.378 27.551 1.00 0.00 ? 26 GLU A C 18 ATOM 9944 O O . GLU A 1 26 ? 12.516 24.314 28.718 1.00 0.00 ? 26 GLU A O 18 ATOM 9945 C CB . GLU A 1 26 ? 12.055 22.000 26.708 1.00 0.00 ? 26 GLU A CB 18 ATOM 9946 C CG . GLU A 1 26 ? 11.166 20.794 26.306 1.00 0.00 ? 26 GLU A CG 18 ATOM 9947 C CD . GLU A 1 26 ? 11.699 19.464 26.856 1.00 0.00 ? 26 GLU A CD 18 ATOM 9948 O OE1 . GLU A 1 26 ? 12.179 19.494 28.021 1.00 0.00 ? 26 GLU A OE1 18 ATOM 9949 O OE2 . GLU A 1 26 ? 11.616 18.427 26.144 1.00 0.00 ? 26 GLU A OE2 18 ATOM 9950 H H . GLU A 1 26 ? 10.996 23.498 24.894 1.00 0.00 ? 26 GLU A H 18 ATOM 9951 H HA . GLU A 1 26 ? 10.490 23.072 27.708 1.00 0.00 ? 26 GLU A HA 18 ATOM 9952 H HB2 . GLU A 1 26 ? 12.798 22.141 25.890 1.00 0.00 ? 26 GLU A HB2 18 ATOM 9953 H HB3 . GLU A 1 26 ? 12.617 21.745 27.636 1.00 0.00 ? 26 GLU A HB3 18 ATOM 9954 H HG2 . GLU A 1 26 ? 10.140 20.928 26.707 1.00 0.00 ? 26 GLU A HG2 18 ATOM 9955 H HG3 . GLU A 1 26 ? 11.102 20.736 25.199 1.00 0.00 ? 26 GLU A HG3 18 ATOM 9956 N N . ALA A 1 27 ? 12.476 25.447 26.782 1.00 0.00 ? 27 ALA A N 18 ATOM 9957 C CA . ALA A 1 27 ? 13.312 26.555 27.233 1.00 0.00 ? 27 ALA A CA 18 ATOM 9958 C C . ALA A 1 27 ? 12.464 27.652 27.849 1.00 0.00 ? 27 ALA A C 18 ATOM 9959 O O . ALA A 1 27 ? 12.904 28.352 28.767 1.00 0.00 ? 27 ALA A O 18 ATOM 9960 C CB . ALA A 1 27 ? 14.166 27.122 26.080 1.00 0.00 ? 27 ALA A CB 18 ATOM 9961 H H . ALA A 1 27 ? 12.151 25.501 25.841 1.00 0.00 ? 27 ALA A H 18 ATOM 9962 H HA . ALA A 1 27 ? 13.991 26.211 28.005 1.00 0.00 ? 27 ALA A HA 18 ATOM 9963 H HB1 . ALA A 1 27 ? 13.531 27.402 25.212 1.00 0.00 ? 27 ALA A HB1 18 ATOM 9964 H HB2 . ALA A 1 27 ? 14.762 28.007 26.396 1.00 0.00 ? 27 ALA A HB2 18 ATOM 9965 H HB3 . ALA A 1 27 ? 14.870 26.332 25.747 1.00 0.00 ? 27 ALA A HB3 18 ATOM 9966 N N . GLU A 1 28 ? 11.169 27.716 27.394 1.00 0.00 ? 28 GLU A N 18 ATOM 9967 C CA . GLU A 1 28 ? 10.061 28.549 27.883 1.00 0.00 ? 28 GLU A CA 18 ATOM 9968 C C . GLU A 1 28 ? 9.759 28.342 29.363 1.00 0.00 ? 28 GLU A C 18 ATOM 9969 O O . GLU A 1 28 ? 9.510 29.304 30.084 1.00 0.00 ? 28 GLU A O 18 ATOM 9970 C CB . GLU A 1 28 ? 8.722 28.348 27.083 1.00 0.00 ? 28 GLU A CB 18 ATOM 9971 C CG . GLU A 1 28 ? 8.769 28.816 25.610 1.00 0.00 ? 28 GLU A CG 18 ATOM 9972 C CD . GLU A 1 28 ? 7.445 28.543 24.868 1.00 0.00 ? 28 GLU A CD 18 ATOM 9973 O OE1 . GLU A 1 28 ? 6.401 28.419 25.554 1.00 0.00 ? 28 GLU A OE1 18 ATOM 9974 O OE2 . GLU A 1 28 ? 7.431 28.433 23.603 1.00 0.00 ? 28 GLU A OE2 18 ATOM 9975 H H . GLU A 1 28 ? 10.929 27.156 26.606 1.00 0.00 ? 28 GLU A H 18 ATOM 9976 H HA . GLU A 1 28 ? 10.359 29.582 27.765 1.00 0.00 ? 28 GLU A HA 18 ATOM 9977 H HB2 . GLU A 1 28 ? 8.420 27.277 27.089 1.00 0.00 ? 28 GLU A HB2 18 ATOM 9978 H HB3 . GLU A 1 28 ? 7.885 28.930 27.538 1.00 0.00 ? 28 GLU A HB3 18 ATOM 9979 H HG2 . GLU A 1 28 ? 8.975 29.903 25.556 1.00 0.00 ? 28 GLU A HG2 18 ATOM 9980 H HG3 . GLU A 1 28 ? 9.588 28.297 25.083 1.00 0.00 ? 28 GLU A HG3 18 ATOM 9981 N N . GLU A 1 29 ? 9.812 27.071 29.855 1.00 0.00 ? 29 GLU A N 18 ATOM 9982 C CA . GLU A 1 29 ? 9.583 26.701 31.241 1.00 0.00 ? 29 GLU A CA 18 ATOM 9983 C C . GLU A 1 29 ? 10.825 26.674 32.120 1.00 0.00 ? 29 GLU A C 18 ATOM 9984 O O . GLU A 1 29 ? 10.714 26.688 33.339 1.00 0.00 ? 29 GLU A O 18 ATOM 9985 C CB . GLU A 1 29 ? 8.694 25.449 31.405 1.00 0.00 ? 29 GLU A CB 18 ATOM 9986 C CG . GLU A 1 29 ? 7.248 25.682 30.943 1.00 0.00 ? 29 GLU A CG 18 ATOM 9987 C CD . GLU A 1 29 ? 6.269 25.348 32.071 1.00 0.00 ? 29 GLU A CD 18 ATOM 9988 O OE1 . GLU A 1 29 ? 6.114 26.191 32.995 1.00 0.00 ? 29 GLU A OE1 18 ATOM 9989 O OE2 . GLU A 1 29 ? 5.698 24.237 32.050 1.00 0.00 ? 29 GLU A OE2 18 ATOM 9990 H H . GLU A 1 29 ? 10.018 26.308 29.247 1.00 0.00 ? 29 GLU A H 18 ATOM 9991 H HA . GLU A 1 29 ? 8.993 27.478 31.683 1.00 0.00 ? 29 GLU A HA 18 ATOM 9992 H HB2 . GLU A 1 29 ? 9.116 24.624 30.799 1.00 0.00 ? 29 GLU A HB2 18 ATOM 9993 H HB3 . GLU A 1 29 ? 8.675 25.115 32.469 1.00 0.00 ? 29 GLU A HB3 18 ATOM 9994 H HG2 . GLU A 1 29 ? 7.112 26.717 30.580 1.00 0.00 ? 29 GLU A HG2 18 ATOM 9995 H HG3 . GLU A 1 29 ? 7.010 25.016 30.096 1.00 0.00 ? 29 GLU A HG3 18 ATOM 9996 N N . ALA A 1 30 ? 12.080 26.739 31.577 1.00 0.00 ? 30 ALA A N 18 ATOM 9997 C CA . ALA A 1 30 ? 13.314 26.815 32.387 1.00 0.00 ? 30 ALA A CA 18 ATOM 9998 C C . ALA A 1 30 ? 13.547 28.206 32.958 1.00 0.00 ? 30 ALA A C 18 ATOM 9999 O O . ALA A 1 30 ? 14.210 28.412 33.973 1.00 0.00 ? 30 ALA A O 18 ATOM 10000 C CB . ALA A 1 30 ? 14.581 26.393 31.600 1.00 0.00 ? 30 ALA A CB 18 ATOM 10001 H H . ALA A 1 30 ? 12.199 26.703 30.588 1.00 0.00 ? 30 ALA A H 18 ATOM 10002 H HA . ALA A 1 30 ? 13.223 26.145 33.233 1.00 0.00 ? 30 ALA A HA 18 ATOM 10003 H HB1 . ALA A 1 30 ? 14.734 27.024 30.695 1.00 0.00 ? 30 ALA A HB1 18 ATOM 10004 H HB2 . ALA A 1 30 ? 15.509 26.428 32.219 1.00 0.00 ? 30 ALA A HB2 18 ATOM 10005 H HB3 . ALA A 1 30 ? 14.450 25.346 31.257 1.00 0.00 ? 30 ALA A HB3 18 ATOM 10006 N N . ALA A 1 31 ? 12.899 29.208 32.324 1.00 0.00 ? 31 ALA A N 18 ATOM 10007 C CA . ALA A 1 31 ? 12.790 30.562 32.805 1.00 0.00 ? 31 ALA A CA 18 ATOM 10008 C C . ALA A 1 31 ? 11.578 30.804 33.713 1.00 0.00 ? 31 ALA A C 18 ATOM 10009 O O . ALA A 1 31 ? 11.109 31.938 33.795 1.00 0.00 ? 31 ALA A O 18 ATOM 10010 C CB . ALA A 1 31 ? 12.733 31.532 31.616 1.00 0.00 ? 31 ALA A CB 18 ATOM 10011 H H . ALA A 1 31 ? 12.416 29.016 31.473 1.00 0.00 ? 31 ALA A H 18 ATOM 10012 H HA . ALA A 1 31 ? 13.692 30.816 33.357 1.00 0.00 ? 31 ALA A HA 18 ATOM 10013 H HB1 . ALA A 1 31 ? 13.624 31.344 30.980 1.00 0.00 ? 31 ALA A HB1 18 ATOM 10014 H HB2 . ALA A 1 31 ? 11.828 31.349 30.996 1.00 0.00 ? 31 ALA A HB2 18 ATOM 10015 H HB3 . ALA A 1 31 ? 12.754 32.603 31.927 1.00 0.00 ? 31 ALA A HB3 18 ATOM 10016 N N . LYS A 1 32 ? 11.087 29.763 34.455 1.00 0.00 ? 32 LYS A N 18 ATOM 10017 C CA . LYS A 1 32 ? 10.111 29.888 35.543 1.00 0.00 ? 32 LYS A CA 18 ATOM 10018 C C . LYS A 1 32 ? 10.798 29.791 36.890 1.00 0.00 ? 32 LYS A C 18 ATOM 10019 O O . LYS A 1 32 ? 10.829 30.769 37.634 1.00 0.00 ? 32 LYS A O 18 ATOM 10020 C CB . LYS A 1 32 ? 8.923 28.857 35.490 1.00 0.00 ? 32 LYS A CB 18 ATOM 10021 C CG . LYS A 1 32 ? 7.622 29.297 34.793 1.00 0.00 ? 32 LYS A CG 18 ATOM 10022 C CD . LYS A 1 32 ? 7.739 29.579 33.292 1.00 0.00 ? 32 LYS A CD 18 ATOM 10023 C CE . LYS A 1 32 ? 6.416 29.744 32.523 1.00 0.00 ? 32 LYS A CE 18 ATOM 10024 N NZ . LYS A 1 32 ? 5.471 28.642 32.829 1.00 0.00 ? 32 LYS A NZ 18 ATOM 10025 H H . LYS A 1 32 ? 11.403 28.828 34.276 1.00 0.00 ? 32 LYS A H 18 ATOM 10026 H HA . LYS A 1 32 ? 9.708 30.883 35.549 1.00 0.00 ? 32 LYS A HA 18 ATOM 10027 H HB2 . LYS A 1 32 ? 9.270 27.898 35.042 1.00 0.00 ? 32 LYS A HB2 18 ATOM 10028 H HB3 . LYS A 1 32 ? 8.549 28.587 36.509 1.00 0.00 ? 32 LYS A HB3 18 ATOM 10029 H HG2 . LYS A 1 32 ? 6.942 28.433 34.961 1.00 0.00 ? 32 LYS A HG2 18 ATOM 10030 H HG3 . LYS A 1 32 ? 7.205 30.182 35.316 1.00 0.00 ? 32 LYS A HG3 18 ATOM 10031 H HD2 . LYS A 1 32 ? 8.353 30.488 33.128 1.00 0.00 ? 32 LYS A HD2 18 ATOM 10032 H HD3 . LYS A 1 32 ? 8.316 28.729 32.892 1.00 0.00 ? 32 LYS A HD3 18 ATOM 10033 H HE2 . LYS A 1 32 ? 5.931 30.709 32.792 1.00 0.00 ? 32 LYS A HE2 18 ATOM 10034 H HE3 . LYS A 1 32 ? 6.622 29.722 31.432 1.00 0.00 ? 32 LYS A HE3 18 ATOM 10035 H HZ1 . LYS A 1 32 ? 5.959 27.679 32.771 1.00 0.00 ? 32 LYS A HZ1 18 ATOM 10036 H HZ2 . LYS A 1 32 ? 5.132 28.742 33.802 1.00 0.00 ? 32 LYS A HZ2 18 ATOM 10037 H HZ3 . LYS A 1 32 ? 4.643 28.613 32.211 1.00 0.00 ? 32 LYS A HZ3 18 ATOM 10038 N N . GLU A 1 33 ? 11.345 28.605 37.268 1.00 0.00 ? 33 GLU A N 18 ATOM 10039 C CA . GLU A 1 33 ? 11.842 28.315 38.611 1.00 0.00 ? 33 GLU A CA 18 ATOM 10040 C C . GLU A 1 33 ? 13.298 28.703 38.745 1.00 0.00 ? 33 GLU A C 18 ATOM 10041 O O . GLU A 1 33 ? 13.765 29.057 39.831 1.00 0.00 ? 33 GLU A O 18 ATOM 10042 C CB . GLU A 1 33 ? 11.665 26.804 39.004 1.00 0.00 ? 33 GLU A CB 18 ATOM 10043 C CG . GLU A 1 33 ? 10.204 26.289 39.034 1.00 0.00 ? 33 GLU A CG 18 ATOM 10044 C CD . GLU A 1 33 ? 9.580 26.143 37.649 1.00 0.00 ? 33 GLU A CD 18 ATOM 10045 O OE1 . GLU A 1 33 ? 10.313 26.237 36.621 1.00 0.00 ? 33 GLU A OE1 18 ATOM 10046 O OE2 . GLU A 1 33 ? 8.337 25.963 37.617 1.00 0.00 ? 33 GLU A OE2 18 ATOM 10047 H H . GLU A 1 33 ? 11.151 27.762 36.726 1.00 0.00 ? 33 GLU A H 18 ATOM 10048 H HA . GLU A 1 33 ? 11.287 28.902 39.332 1.00 0.00 ? 33 GLU A HA 18 ATOM 10049 H HB2 . GLU A 1 33 ? 12.220 26.144 38.300 1.00 0.00 ? 33 GLU A HB2 18 ATOM 10050 H HB3 . GLU A 1 33 ? 12.063 26.622 40.031 1.00 0.00 ? 33 GLU A HB3 18 ATOM 10051 H HG2 . GLU A 1 33 ? 10.190 25.274 39.485 1.00 0.00 ? 33 GLU A HG2 18 ATOM 10052 H HG3 . GLU A 1 33 ? 9.558 26.955 39.646 1.00 0.00 ? 33 GLU A HG3 18 ATOM 10053 N N . ALA A 1 34 ? 14.038 28.640 37.606 1.00 0.00 ? 34 ALA A N 18 ATOM 10054 C CA . ALA A 1 34 ? 15.405 29.130 37.486 1.00 0.00 ? 34 ALA A CA 18 ATOM 10055 C C . ALA A 1 34 ? 15.462 30.562 37.013 1.00 0.00 ? 34 ALA A C 18 ATOM 10056 O O . ALA A 1 34 ? 16.217 31.355 37.561 1.00 0.00 ? 34 ALA A O 18 ATOM 10057 C CB . ALA A 1 34 ? 16.321 28.229 36.632 1.00 0.00 ? 34 ALA A CB 18 ATOM 10058 H H . ALA A 1 34 ? 13.564 28.360 36.772 1.00 0.00 ? 34 ALA A H 18 ATOM 10059 H HA . ALA A 1 34 ? 15.856 29.159 38.470 1.00 0.00 ? 34 ALA A HA 18 ATOM 10060 H HB1 . ALA A 1 34 ? 15.908 28.024 35.625 1.00 0.00 ? 34 ALA A HB1 18 ATOM 10061 H HB2 . ALA A 1 34 ? 17.339 28.659 36.523 1.00 0.00 ? 34 ALA A HB2 18 ATOM 10062 H HB3 . ALA A 1 34 ? 16.443 27.261 37.160 1.00 0.00 ? 34 ALA A HB3 18 ATOM 10063 N N . VAL A 1 35 ? 14.670 30.916 35.956 1.00 0.00 ? 35 VAL A N 18 ATOM 10064 C CA . VAL A 1 35 ? 14.488 32.278 35.421 1.00 0.00 ? 35 VAL A CA 18 ATOM 10065 C C . VAL A 1 35 ? 15.528 32.583 34.335 1.00 0.00 ? 35 VAL A C 18 ATOM 10066 O O . VAL A 1 35 ? 15.472 33.580 33.623 1.00 0.00 ? 35 VAL A O 18 ATOM 10067 C CB . VAL A 1 35 ? 14.270 33.390 36.475 1.00 0.00 ? 35 VAL A CB 18 ATOM 10068 C CG1 . VAL A 1 35 ? 13.949 34.769 35.856 1.00 0.00 ? 35 VAL A CG1 18 ATOM 10069 C CG2 . VAL A 1 35 ? 13.087 32.981 37.384 1.00 0.00 ? 35 VAL A CG2 18 ATOM 10070 H H . VAL A 1 35 ? 14.132 30.207 35.499 1.00 0.00 ? 35 VAL A H 18 ATOM 10071 H HA . VAL A 1 35 ? 13.552 32.264 34.899 1.00 0.00 ? 35 VAL A HA 18 ATOM 10072 H HB . VAL A 1 35 ? 15.170 33.511 37.116 1.00 0.00 ? 35 VAL A HB 18 ATOM 10073 H HG11 . VAL A 1 35 ? 13.179 34.677 35.059 1.00 0.00 ? 35 VAL A HG11 18 ATOM 10074 H HG12 . VAL A 1 35 ? 13.566 35.447 36.648 1.00 0.00 ? 35 VAL A HG12 18 ATOM 10075 H HG13 . VAL A 1 35 ? 14.858 35.237 35.423 1.00 0.00 ? 35 VAL A HG13 18 ATOM 10076 H HG21 . VAL A 1 35 ? 12.172 32.814 36.776 1.00 0.00 ? 35 VAL A HG21 18 ATOM 10077 H HG22 . VAL A 1 35 ? 13.285 32.051 37.956 1.00 0.00 ? 35 VAL A HG22 18 ATOM 10078 H HG23 . VAL A 1 35 ? 12.871 33.784 38.116 1.00 0.00 ? 35 VAL A HG23 18 ATOM 10079 N N . ASN A 1 36 ? 16.561 31.728 34.224 1.00 0.00 ? 36 ASN A N 18 ATOM 10080 C CA . ASN A 1 36 ? 17.746 31.998 33.439 1.00 0.00 ? 36 ASN A CA 18 ATOM 10081 C C . ASN A 1 36 ? 18.350 30.654 33.218 1.00 0.00 ? 36 ASN A C 18 ATOM 10082 O O . ASN A 1 36 ? 18.361 30.120 32.111 1.00 0.00 ? 36 ASN A O 18 ATOM 10083 C CB . ASN A 1 36 ? 18.746 33.015 34.118 1.00 0.00 ? 36 ASN A CB 18 ATOM 10084 C CG . ASN A 1 36 ? 18.779 32.865 35.651 1.00 0.00 ? 36 ASN A CG 18 ATOM 10085 O OD1 . ASN A 1 36 ? 19.534 32.047 36.153 1.00 0.00 ? 36 ASN A OD1 18 ATOM 10086 N ND2 . ASN A 1 36 ? 17.862 33.517 36.388 1.00 0.00 ? 36 ASN A ND2 18 ATOM 10087 H H . ASN A 1 36 ? 16.586 30.904 34.785 1.00 0.00 ? 36 ASN A H 18 ATOM 10088 H HA . ASN A 1 36 ? 17.497 32.364 32.463 1.00 0.00 ? 36 ASN A HA 18 ATOM 10089 H HB2 . ASN A 1 36 ? 19.785 32.918 33.721 1.00 0.00 ? 36 ASN A HB2 18 ATOM 10090 H HB3 . ASN A 1 36 ? 18.396 34.043 33.873 1.00 0.00 ? 36 ASN A HB3 18 ATOM 10091 H HD21 . ASN A 1 36 ? 17.011 33.751 35.915 1.00 0.00 ? 36 ASN A HD21 18 ATOM 10092 H HD22 . ASN A 1 36 ? 17.827 33.313 37.369 1.00 0.00 ? 36 ASN A HD22 18 ATOM 10093 N N . LEU A 1 37 ? 18.873 30.133 34.356 1.00 0.00 ? 37 LEU A N 18 ATOM 10094 C CA . LEU A 1 37 ? 19.592 28.910 34.595 1.00 0.00 ? 37 LEU A CA 18 ATOM 10095 C C . LEU A 1 37 ? 21.081 29.214 34.597 1.00 0.00 ? 37 LEU A C 18 ATOM 10096 O O . LEU A 1 37 ? 21.875 28.428 34.087 1.00 0.00 ? 37 LEU A O 18 ATOM 10097 C CB . LEU A 1 37 ? 19.180 27.694 33.703 1.00 0.00 ? 37 LEU A CB 18 ATOM 10098 C CG . LEU A 1 37 ? 19.045 26.325 34.400 1.00 0.00 ? 37 LEU A CG 18 ATOM 10099 C CD1 . LEU A 1 37 ? 18.643 25.268 33.363 1.00 0.00 ? 37 LEU A CD1 18 ATOM 10100 C CD2 . LEU A 1 37 ? 20.303 25.878 35.152 1.00 0.00 ? 37 LEU A CD2 18 ATOM 10101 H H . LEU A 1 37 ? 18.909 30.725 35.172 1.00 0.00 ? 37 LEU A H 18 ATOM 10102 H HA . LEU A 1 37 ? 19.343 28.656 35.615 1.00 0.00 ? 37 LEU A HA 18 ATOM 10103 H HB2 . LEU A 1 37 ? 18.161 27.894 33.306 1.00 0.00 ? 37 LEU A HB2 18 ATOM 10104 H HB3 . LEU A 1 37 ? 19.849 27.609 32.818 1.00 0.00 ? 37 LEU A HB3 18 ATOM 10105 H HG . LEU A 1 37 ? 18.218 26.393 35.141 1.00 0.00 ? 37 LEU A HG 18 ATOM 10106 H HD11 . LEU A 1 37 ? 17.750 25.611 32.798 1.00 0.00 ? 37 LEU A HD11 18 ATOM 10107 H HD12 . LEU A 1 37 ? 19.480 25.111 32.649 1.00 0.00 ? 37 LEU A HD12 18 ATOM 10108 H HD13 . LEU A 1 37 ? 18.405 24.304 33.859 1.00 0.00 ? 37 LEU A HD13 18 ATOM 10109 H HD21 . LEU A 1 37 ? 21.194 25.980 34.494 1.00 0.00 ? 37 LEU A HD21 18 ATOM 10110 H HD22 . LEU A 1 37 ? 20.462 26.504 36.054 1.00 0.00 ? 37 LEU A HD22 18 ATOM 10111 H HD23 . LEU A 1 37 ? 20.217 24.820 35.474 1.00 0.00 ? 37 LEU A HD23 18 ATOM 10112 N N . LYS A 1 38 ? 21.508 30.369 35.166 1.00 0.00 ? 38 LYS A N 18 ATOM 10113 C CA . LYS A 1 38 ? 22.923 30.659 35.338 1.00 0.00 ? 38 LYS A CA 18 ATOM 10114 C C . LYS A 1 38 ? 23.035 31.743 36.436 1.00 0.00 ? 38 LYS A C 18 ATOM 10115 O O . LYS A 1 38 ? 24.042 32.514 36.440 1.00 0.00 ? 38 LYS A O 18 ATOM 10116 C CB . LYS A 1 38 ? 23.618 31.116 34.026 1.00 0.00 ? 38 LYS A CB 18 ATOM 10117 C CG . LYS A 1 38 ? 25.147 30.983 34.051 1.00 0.00 ? 38 LYS A CG 18 ATOM 10118 C CD . LYS A 1 38 ? 25.768 31.029 32.659 1.00 0.00 ? 38 LYS A CD 18 ATOM 10119 C CE . LYS A 1 38 ? 27.296 30.933 32.703 1.00 0.00 ? 38 LYS A CE 18 ATOM 10120 N NZ . LYS A 1 38 ? 27.860 31.035 31.336 1.00 0.00 ? 38 LYS A NZ 18 ATOM 10121 O OXT . LYS A 1 38 ? 22.142 31.765 37.315 1.00 0.00 ? 38 LYS A OXT 18 ATOM 10122 H H . LYS A 1 38 ? 20.882 31.056 35.580 1.00 0.00 ? 38 LYS A H 18 ATOM 10123 H HA . LYS A 1 38 ? 23.417 29.771 35.723 1.00 0.00 ? 38 LYS A HA 18 ATOM 10124 H HB2 . LYS A 1 38 ? 23.261 30.465 33.201 1.00 0.00 ? 38 LYS A HB2 18 ATOM 10125 H HB3 . LYS A 1 38 ? 23.317 32.161 33.792 1.00 0.00 ? 38 LYS A HB3 18 ATOM 10126 H HG2 . LYS A 1 38 ? 25.553 31.805 34.683 1.00 0.00 ? 38 LYS A HG2 18 ATOM 10127 H HG3 . LYS A 1 38 ? 25.410 30.015 34.534 1.00 0.00 ? 38 LYS A HG3 18 ATOM 10128 H HD2 . LYS A 1 38 ? 25.341 30.177 32.081 1.00 0.00 ? 38 LYS A HD2 18 ATOM 10129 H HD3 . LYS A 1 38 ? 25.447 31.980 32.178 1.00 0.00 ? 38 LYS A HD3 18 ATOM 10130 H HE2 . LYS A 1 38 ? 27.710 31.766 33.314 1.00 0.00 ? 38 LYS A HE2 18 ATOM 10131 H HE3 . LYS A 1 38 ? 27.617 29.963 33.143 1.00 0.00 ? 38 LYS A HE3 18 ATOM 10132 H HZ1 . LYS A 1 38 ? 27.412 31.836 30.847 1.00 0.00 ? 38 LYS A HZ1 18 ATOM 10133 H HZ2 . LYS A 1 38 ? 28.888 31.189 31.389 1.00 0.00 ? 38 LYS A HZ2 18 ATOM 10134 H HZ3 . LYS A 1 38 ? 27.666 30.161 30.809 1.00 0.00 ? 38 LYS A HZ3 18 ATOM 10135 N N . GLU A 1 1 ? 23.588 2.339 15.746 1.00 0.00 ? 1 GLU A N 19 ATOM 10136 C CA . GLU A 1 1 ? 22.159 2.421 15.377 1.00 0.00 ? 1 GLU A CA 19 ATOM 10137 C C . GLU A 1 1 ? 21.939 3.906 15.377 1.00 0.00 ? 1 GLU A C 19 ATOM 10138 O O . GLU A 1 1 ? 22.729 4.622 15.998 1.00 0.00 ? 1 GLU A O 19 ATOM 10139 C CB . GLU A 1 1 ? 21.316 1.623 16.417 1.00 0.00 ? 1 GLU A CB 19 ATOM 10140 C CG . GLU A 1 1 ? 19.841 1.341 16.043 1.00 0.00 ? 1 GLU A CG 19 ATOM 10141 C CD . GLU A 1 1 ? 18.897 2.451 16.501 1.00 0.00 ? 1 GLU A CD 19 ATOM 10142 O OE1 . GLU A 1 1 ? 19.345 3.360 17.247 1.00 0.00 ? 1 GLU A OE1 19 ATOM 10143 O OE2 . GLU A 1 1 ? 17.711 2.394 16.094 1.00 0.00 ? 1 GLU A OE2 19 ATOM 10144 H H1 . GLU A 1 1 ? 23.740 3.146 16.394 1.00 0.00 ? 1 GLU A H1 19 ATOM 10145 H H2 . GLU A 1 1 ? 23.799 1.439 16.230 1.00 0.00 ? 1 GLU A H2 19 ATOM 10146 H H3 . GLU A 1 1 ? 24.184 2.456 14.913 1.00 0.00 ? 1 GLU A H3 19 ATOM 10147 H HA . GLU A 1 1 ? 22.042 2.019 14.380 1.00 0.00 ? 1 GLU A HA 19 ATOM 10148 H HB2 . GLU A 1 1 ? 21.746 0.599 16.467 1.00 0.00 ? 1 GLU A HB2 19 ATOM 10149 H HB3 . GLU A 1 1 ? 21.381 2.054 17.444 1.00 0.00 ? 1 GLU A HB3 19 ATOM 10150 H HG2 . GLU A 1 1 ? 19.725 1.183 14.950 1.00 0.00 ? 1 GLU A HG2 19 ATOM 10151 H HG3 . GLU A 1 1 ? 19.500 0.424 16.569 1.00 0.00 ? 1 GLU A HG3 19 ATOM 10152 N N . ALA A 1 2 ? 20.909 4.402 14.661 1.00 0.00 ? 2 ALA A N 19 ATOM 10153 C CA . ALA A 1 2 ? 20.605 5.795 14.534 1.00 0.00 ? 2 ALA A CA 19 ATOM 10154 C C . ALA A 1 2 ? 19.364 5.700 13.705 1.00 0.00 ? 2 ALA A C 19 ATOM 10155 O O . ALA A 1 2 ? 18.826 4.609 13.531 1.00 0.00 ? 2 ALA A O 19 ATOM 10156 C CB . ALA A 1 2 ? 21.690 6.659 13.817 1.00 0.00 ? 2 ALA A CB 19 ATOM 10157 H H . ALA A 1 2 ? 20.162 3.858 14.250 1.00 0.00 ? 2 ALA A H 19 ATOM 10158 H HA . ALA A 1 2 ? 20.343 6.192 15.509 1.00 0.00 ? 2 ALA A HA 19 ATOM 10159 H HB1 . ALA A 1 2 ? 21.951 6.262 12.810 1.00 0.00 ? 2 ALA A HB1 19 ATOM 10160 H HB2 . ALA A 1 2 ? 21.385 7.724 13.714 1.00 0.00 ? 2 ALA A HB2 19 ATOM 10161 H HB3 . ALA A 1 2 ? 22.623 6.659 14.421 1.00 0.00 ? 2 ALA A HB3 19 ATOM 10162 N N . TYR A 1 3 ? 18.931 6.828 13.130 1.00 0.00 ? 3 TYR A N 19 ATOM 10163 C CA . TYR A 1 3 ? 17.714 6.978 12.388 1.00 0.00 ? 3 TYR A CA 19 ATOM 10164 C C . TYR A 1 3 ? 18.209 7.962 11.360 1.00 0.00 ? 3 TYR A C 19 ATOM 10165 O O . TYR A 1 3 ? 19.400 8.289 11.354 1.00 0.00 ? 3 TYR A O 19 ATOM 10166 C CB . TYR A 1 3 ? 16.493 7.468 13.273 1.00 0.00 ? 3 TYR A CB 19 ATOM 10167 C CG . TYR A 1 3 ? 16.598 8.896 13.783 1.00 0.00 ? 3 TYR A CG 19 ATOM 10168 C CD1 . TYR A 1 3 ? 17.635 9.284 14.652 1.00 0.00 ? 3 TYR A CD1 19 ATOM 10169 C CD2 . TYR A 1 3 ? 15.772 9.894 13.228 1.00 0.00 ? 3 TYR A CD2 19 ATOM 10170 C CE1 . TYR A 1 3 ? 17.905 10.641 14.881 1.00 0.00 ? 3 TYR A CE1 19 ATOM 10171 C CE2 . TYR A 1 3 ? 16.032 11.250 13.456 1.00 0.00 ? 3 TYR A CE2 19 ATOM 10172 C CZ . TYR A 1 3 ? 17.102 11.624 14.281 1.00 0.00 ? 3 TYR A CZ 19 ATOM 10173 O OH . TYR A 1 3 ? 17.369 12.989 14.469 1.00 0.00 ? 3 TYR A OH 19 ATOM 10174 H H . TYR A 1 3 ? 19.511 7.642 13.053 1.00 0.00 ? 3 TYR A H 19 ATOM 10175 H HA . TYR A 1 3 ? 17.471 6.050 11.883 1.00 0.00 ? 3 TYR A HA 19 ATOM 10176 H HB2 . TYR A 1 3 ? 15.553 7.376 12.689 1.00 0.00 ? 3 TYR A HB2 19 ATOM 10177 H HB3 . TYR A 1 3 ? 16.401 6.803 14.162 1.00 0.00 ? 3 TYR A HB3 19 ATOM 10178 H HD1 . TYR A 1 3 ? 18.281 8.542 15.099 1.00 0.00 ? 3 TYR A HD1 19 ATOM 10179 H HD2 . TYR A 1 3 ? 14.977 9.630 12.551 1.00 0.00 ? 3 TYR A HD2 19 ATOM 10180 H HE1 . TYR A 1 3 ? 18.761 10.909 15.478 1.00 0.00 ? 3 TYR A HE1 19 ATOM 10181 H HE2 . TYR A 1 3 ? 15.442 11.995 12.949 1.00 0.00 ? 3 TYR A HE2 19 ATOM 10182 H HH . TYR A 1 3 ? 18.008 13.095 15.174 1.00 0.00 ? 3 TYR A HH 19 ATOM 10183 N N . LYS A 1 4 ? 17.310 8.505 10.507 1.00 0.00 ? 4 LYS A N 19 ATOM 10184 C CA . LYS A 1 4 ? 17.625 9.667 9.699 1.00 0.00 ? 4 LYS A CA 19 ATOM 10185 C C . LYS A 1 4 ? 16.395 10.518 9.707 1.00 0.00 ? 4 LYS A C 19 ATOM 10186 O O . LYS A 1 4 ? 16.377 11.590 10.301 1.00 0.00 ? 4 LYS A O 19 ATOM 10187 C CB . LYS A 1 4 ? 18.023 9.359 8.226 1.00 0.00 ? 4 LYS A CB 19 ATOM 10188 C CG . LYS A 1 4 ? 19.356 8.619 8.104 1.00 0.00 ? 4 LYS A CG 19 ATOM 10189 C CD . LYS A 1 4 ? 19.840 8.564 6.662 1.00 0.00 ? 4 LYS A CD 19 ATOM 10190 C CE . LYS A 1 4 ? 21.133 7.746 6.491 1.00 0.00 ? 4 LYS A CE 19 ATOM 10191 N NZ . LYS A 1 4 ? 21.631 7.760 5.089 1.00 0.00 ? 4 LYS A NZ 19 ATOM 10192 H H . LYS A 1 4 ? 16.352 8.236 10.536 1.00 0.00 ? 4 LYS A H 19 ATOM 10193 H HA . LYS A 1 4 ? 18.412 10.260 10.158 1.00 0.00 ? 4 LYS A HA 19 ATOM 10194 H HB2 . LYS A 1 4 ? 17.259 8.729 7.718 1.00 0.00 ? 4 LYS A HB2 19 ATOM 10195 H HB3 . LYS A 1 4 ? 18.131 10.309 7.651 1.00 0.00 ? 4 LYS A HB3 19 ATOM 10196 H HG2 . LYS A 1 4 ? 20.117 9.141 8.725 1.00 0.00 ? 4 LYS A HG2 19 ATOM 10197 H HG3 . LYS A 1 4 ? 19.235 7.586 8.501 1.00 0.00 ? 4 LYS A HG3 19 ATOM 10198 H HD2 . LYS A 1 4 ? 19.003 8.124 6.076 1.00 0.00 ? 4 LYS A HD2 19 ATOM 10199 H HD3 . LYS A 1 4 ? 19.979 9.624 6.354 1.00 0.00 ? 4 LYS A HD3 19 ATOM 10200 H HE2 . LYS A 1 4 ? 21.939 8.156 7.139 1.00 0.00 ? 4 LYS A HE2 19 ATOM 10201 H HE3 . LYS A 1 4 ? 20.946 6.688 6.775 1.00 0.00 ? 4 LYS A HE3 19 ATOM 10202 H HZ1 . LYS A 1 4 ? 20.894 7.455 4.422 1.00 0.00 ? 4 LYS A HZ1 19 ATOM 10203 H HZ2 . LYS A 1 4 ? 21.963 8.711 4.824 1.00 0.00 ? 4 LYS A HZ2 19 ATOM 10204 H HZ3 . LYS A 1 4 ? 22.433 7.103 5.020 1.00 0.00 ? 4 LYS A HZ3 19 ATOM 10205 N N . LYS A 1 5 ? 15.337 10.050 9.009 1.00 0.00 ? 5 LYS A N 19 ATOM 10206 C CA . LYS A 1 5 ? 14.151 10.830 8.752 1.00 0.00 ? 5 LYS A CA 19 ATOM 10207 C C . LYS A 1 5 ? 13.088 9.837 8.360 1.00 0.00 ? 5 LYS A C 19 ATOM 10208 O O . LYS A 1 5 ? 13.018 9.390 7.215 1.00 0.00 ? 5 LYS A O 19 ATOM 10209 C CB . LYS A 1 5 ? 14.351 11.871 7.601 1.00 0.00 ? 5 LYS A CB 19 ATOM 10210 C CG . LYS A 1 5 ? 13.260 12.952 7.460 1.00 0.00 ? 5 LYS A CG 19 ATOM 10211 C CD . LYS A 1 5 ? 13.178 13.902 8.667 1.00 0.00 ? 5 LYS A CD 19 ATOM 10212 C CE . LYS A 1 5 ? 12.385 15.188 8.381 1.00 0.00 ? 5 LYS A CE 19 ATOM 10213 N NZ . LYS A 1 5 ? 12.397 16.097 9.558 1.00 0.00 ? 5 LYS A NZ 19 ATOM 10214 H H . LYS A 1 5 ? 15.366 9.174 8.535 1.00 0.00 ? 5 LYS A H 19 ATOM 10215 H HA . LYS A 1 5 ? 13.844 11.326 9.663 1.00 0.00 ? 5 LYS A HA 19 ATOM 10216 H HB2 . LYS A 1 5 ? 15.290 12.427 7.803 1.00 0.00 ? 5 LYS A HB2 19 ATOM 10217 H HB3 . LYS A 1 5 ? 14.505 11.364 6.622 1.00 0.00 ? 5 LYS A HB3 19 ATOM 10218 H HG2 . LYS A 1 5 ? 13.546 13.551 6.566 1.00 0.00 ? 5 LYS A HG2 19 ATOM 10219 H HG3 . LYS A 1 5 ? 12.270 12.490 7.260 1.00 0.00 ? 5 LYS A HG3 19 ATOM 10220 H HD2 . LYS A 1 5 ? 12.727 13.351 9.520 1.00 0.00 ? 5 LYS A HD2 19 ATOM 10221 H HD3 . LYS A 1 5 ? 14.219 14.177 8.945 1.00 0.00 ? 5 LYS A HD3 19 ATOM 10222 H HE2 . LYS A 1 5 ? 12.840 15.735 7.528 1.00 0.00 ? 5 LYS A HE2 19 ATOM 10223 H HE3 . LYS A 1 5 ? 11.324 14.953 8.141 1.00 0.00 ? 5 LYS A HE3 19 ATOM 10224 H HZ1 . LYS A 1 5 ? 11.990 15.617 10.387 1.00 0.00 ? 5 LYS A HZ1 19 ATOM 10225 H HZ2 . LYS A 1 5 ? 13.374 16.375 9.774 1.00 0.00 ? 5 LYS A HZ2 19 ATOM 10226 H HZ3 . LYS A 1 5 ? 11.842 16.950 9.343 1.00 0.00 ? 5 LYS A HZ3 19 ATOM 10227 N N . ALA A 1 6 ? 12.189 9.487 9.316 1.00 0.00 ? 6 ALA A N 19 ATOM 10228 C CA . ALA A 1 6 ? 11.027 8.640 9.085 1.00 0.00 ? 6 ALA A CA 19 ATOM 10229 C C . ALA A 1 6 ? 9.857 9.512 8.678 1.00 0.00 ? 6 ALA A C 19 ATOM 10230 O O . ALA A 1 6 ? 9.339 10.278 9.485 1.00 0.00 ? 6 ALA A O 19 ATOM 10231 C CB . ALA A 1 6 ? 10.646 7.805 10.335 1.00 0.00 ? 6 ALA A CB 19 ATOM 10232 H H . ALA A 1 6 ? 12.287 9.825 10.250 1.00 0.00 ? 6 ALA A H 19 ATOM 10233 H HA . ALA A 1 6 ? 11.225 7.949 8.274 1.00 0.00 ? 6 ALA A HA 19 ATOM 10234 H HB1 . ALA A 1 6 ? 11.528 7.224 10.677 1.00 0.00 ? 6 ALA A HB1 19 ATOM 10235 H HB2 . ALA A 1 6 ? 10.314 8.438 11.191 1.00 0.00 ? 6 ALA A HB2 19 ATOM 10236 H HB3 . ALA A 1 6 ? 9.829 7.080 10.116 1.00 0.00 ? 6 ALA A HB3 19 ATOM 10237 N N . LYS A 1 7 ? 9.470 9.447 7.380 1.00 0.00 ? 7 LYS A N 19 ATOM 10238 C CA . LYS A 1 7 ? 8.406 10.211 6.752 1.00 0.00 ? 7 LYS A CA 19 ATOM 10239 C C . LYS A 1 7 ? 7.183 9.326 6.642 1.00 0.00 ? 7 LYS A C 19 ATOM 10240 O O . LYS A 1 7 ? 7.253 8.210 6.119 1.00 0.00 ? 7 LYS A O 19 ATOM 10241 C CB . LYS A 1 7 ? 8.811 10.817 5.362 1.00 0.00 ? 7 LYS A CB 19 ATOM 10242 C CG . LYS A 1 7 ? 8.924 9.908 4.106 1.00 0.00 ? 7 LYS A CG 19 ATOM 10243 C CD . LYS A 1 7 ? 9.960 8.766 4.159 1.00 0.00 ? 7 LYS A CD 19 ATOM 10244 C CE . LYS A 1 7 ? 9.785 7.684 3.077 1.00 0.00 ? 7 LYS A CE 19 ATOM 10245 N NZ . LYS A 1 7 ? 8.458 7.029 3.204 1.00 0.00 ? 7 LYS A NZ 19 ATOM 10246 H H . LYS A 1 7 ? 9.935 8.831 6.759 1.00 0.00 ? 7 LYS A H 19 ATOM 10247 H HA . LYS A 1 7 ? 8.159 11.055 7.390 1.00 0.00 ? 7 LYS A HA 19 ATOM 10248 H HB2 . LYS A 1 7 ? 8.057 11.594 5.109 1.00 0.00 ? 7 LYS A HB2 19 ATOM 10249 H HB3 . LYS A 1 7 ? 9.783 11.338 5.489 1.00 0.00 ? 7 LYS A HB3 19 ATOM 10250 H HG2 . LYS A 1 7 ? 7.913 9.507 3.893 1.00 0.00 ? 7 LYS A HG2 19 ATOM 10251 H HG3 . LYS A 1 7 ? 9.194 10.555 3.242 1.00 0.00 ? 7 LYS A HG3 19 ATOM 10252 H HD2 . LYS A 1 7 ? 10.985 9.193 4.075 1.00 0.00 ? 7 LYS A HD2 19 ATOM 10253 H HD3 . LYS A 1 7 ? 9.885 8.248 5.136 1.00 0.00 ? 7 LYS A HD3 19 ATOM 10254 H HE2 . LYS A 1 7 ? 9.868 8.111 2.052 1.00 0.00 ? 7 LYS A HE2 19 ATOM 10255 H HE3 . LYS A 1 7 ? 10.565 6.900 3.208 1.00 0.00 ? 7 LYS A HE3 19 ATOM 10256 H HZ1 . LYS A 1 7 ? 8.235 6.887 4.213 1.00 0.00 ? 7 LYS A HZ1 19 ATOM 10257 H HZ2 . LYS A 1 7 ? 7.733 7.657 2.805 1.00 0.00 ? 7 LYS A HZ2 19 ATOM 10258 H HZ3 . LYS A 1 7 ? 8.457 6.115 2.706 1.00 0.00 ? 7 LYS A HZ3 19 ATOM 10259 N N . GLN A 1 8 ? 6.029 9.812 7.147 1.00 0.00 ? 8 GLN A N 19 ATOM 10260 C CA . GLN A 1 8 ? 4.793 9.080 7.209 1.00 0.00 ? 8 GLN A CA 19 ATOM 10261 C C . GLN A 1 8 ? 3.827 10.227 7.282 1.00 0.00 ? 8 GLN A C 19 ATOM 10262 O O . GLN A 1 8 ? 4.220 11.301 7.725 1.00 0.00 ? 8 GLN A O 19 ATOM 10263 C CB . GLN A 1 8 ? 4.696 8.173 8.481 1.00 0.00 ? 8 GLN A CB 19 ATOM 10264 C CG . GLN A 1 8 ? 3.420 7.307 8.581 1.00 0.00 ? 8 GLN A CG 19 ATOM 10265 C CD . GLN A 1 8 ? 3.515 6.383 9.796 1.00 0.00 ? 8 GLN A CD 19 ATOM 10266 O OE1 . GLN A 1 8 ? 4.614 6.076 10.241 1.00 0.00 ? 8 GLN A OE1 19 ATOM 10267 N NE2 . GLN A 1 8 ? 2.368 5.919 10.343 1.00 0.00 ? 8 GLN A NE2 19 ATOM 10268 H H . GLN A 1 8 ? 5.912 10.738 7.523 1.00 0.00 ? 8 GLN A H 19 ATOM 10269 H HA . GLN A 1 8 ? 4.640 8.522 6.290 1.00 0.00 ? 8 GLN A HA 19 ATOM 10270 H HB2 . GLN A 1 8 ? 5.560 7.471 8.435 1.00 0.00 ? 8 GLN A HB2 19 ATOM 10271 H HB3 . GLN A 1 8 ? 4.830 8.764 9.415 1.00 0.00 ? 8 GLN A HB3 19 ATOM 10272 H HG2 . GLN A 1 8 ? 2.514 7.943 8.661 1.00 0.00 ? 8 GLN A HG2 19 ATOM 10273 H HG3 . GLN A 1 8 ? 3.356 6.681 7.666 1.00 0.00 ? 8 GLN A HG3 19 ATOM 10274 H HE21 . GLN A 1 8 ? 1.480 6.274 10.036 1.00 0.00 ? 8 GLN A HE21 19 ATOM 10275 H HE22 . GLN A 1 8 ? 2.435 5.356 11.168 1.00 0.00 ? 8 GLN A HE22 19 ATOM 10276 N N . ALA A 1 9 ? 2.566 10.044 6.837 1.00 0.00 ? 9 ALA A N 19 ATOM 10277 C CA . ALA A 1 9 ? 1.465 10.981 7.024 1.00 0.00 ? 9 ALA A CA 19 ATOM 10278 C C . ALA A 1 9 ? 0.609 10.451 8.158 1.00 0.00 ? 9 ALA A C 19 ATOM 10279 O O . ALA A 1 9 ? -0.307 9.671 7.911 1.00 0.00 ? 9 ALA A O 19 ATOM 10280 C CB . ALA A 1 9 ? 0.610 11.157 5.733 1.00 0.00 ? 9 ALA A CB 19 ATOM 10281 H H . ALA A 1 9 ? 2.300 9.139 6.528 1.00 0.00 ? 9 ALA A H 19 ATOM 10282 H HA . ALA A 1 9 ? 1.833 11.960 7.301 1.00 0.00 ? 9 ALA A HA 19 ATOM 10283 H HB1 . ALA A 1 9 ? 1.252 11.517 4.900 1.00 0.00 ? 9 ALA A HB1 19 ATOM 10284 H HB2 . ALA A 1 9 ? 0.145 10.198 5.411 1.00 0.00 ? 9 ALA A HB2 19 ATOM 10285 H HB3 . ALA A 1 9 ? -0.201 11.908 5.870 1.00 0.00 ? 9 ALA A HB3 19 ATOM 10286 N N . SER A 1 10 ? 0.887 10.792 9.436 1.00 0.00 ? 10 SER A N 19 ATOM 10287 C CA . SER A 1 10 ? 0.173 10.245 10.565 1.00 0.00 ? 10 SER A CA 19 ATOM 10288 C C . SER A 1 10 ? 0.730 11.045 11.702 1.00 0.00 ? 10 SER A C 19 ATOM 10289 O O . SER A 1 10 ? 1.564 11.930 11.485 1.00 0.00 ? 10 SER A O 19 ATOM 10290 C CB . SER A 1 10 ? 0.419 8.711 10.845 1.00 0.00 ? 10 SER A CB 19 ATOM 10291 O OG . SER A 1 10 ? -0.153 7.869 9.841 1.00 0.00 ? 10 SER A OG 19 ATOM 10292 H H . SER A 1 10 ? 1.586 11.457 9.727 1.00 0.00 ? 10 SER A H 19 ATOM 10293 H HA . SER A 1 10 ? -0.876 10.482 10.480 1.00 0.00 ? 10 SER A HA 19 ATOM 10294 H HB2 . SER A 1 10 ? 1.511 8.499 10.893 1.00 0.00 ? 10 SER A HB2 19 ATOM 10295 H HB3 . SER A 1 10 ? -0.037 8.381 11.805 1.00 0.00 ? 10 SER A HB3 19 ATOM 10296 H HG . SER A 1 10 ? -0.383 8.450 9.082 1.00 0.00 ? 10 SER A HG 19 ATOM 10297 N N . GLN A 1 11 ? 0.324 10.652 12.947 1.00 0.00 ? 11 GLN A N 19 ATOM 10298 C CA . GLN A 1 11 ? 0.651 11.218 14.259 1.00 0.00 ? 11 GLN A CA 19 ATOM 10299 C C . GLN A 1 11 ? 2.131 11.189 14.621 1.00 0.00 ? 11 GLN A C 19 ATOM 10300 O O . GLN A 1 11 ? 2.612 12.010 15.401 1.00 0.00 ? 11 GLN A O 19 ATOM 10301 C CB . GLN A 1 11 ? -0.186 10.561 15.402 1.00 0.00 ? 11 GLN A CB 19 ATOM 10302 C CG . GLN A 1 11 ? -0.065 9.021 15.580 1.00 0.00 ? 11 GLN A CG 19 ATOM 10303 C CD . GLN A 1 11 ? -1.124 8.557 16.599 1.00 0.00 ? 11 GLN A CD 19 ATOM 10304 O OE1 . GLN A 1 11 ? -1.450 9.308 17.511 1.00 0.00 ? 11 GLN A OE1 19 ATOM 10305 N NE2 . GLN A 1 11 ? -1.696 7.337 16.450 1.00 0.00 ? 11 GLN A NE2 19 ATOM 10306 H H . GLN A 1 11 ? -0.367 9.938 13.008 1.00 0.00 ? 11 GLN A H 19 ATOM 10307 H HA . GLN A 1 11 ? 0.365 12.264 14.229 1.00 0.00 ? 11 GLN A HA 19 ATOM 10308 H HB2 . GLN A 1 11 ? 0.035 11.058 16.376 1.00 0.00 ? 11 GLN A HB2 19 ATOM 10309 H HB3 . GLN A 1 11 ? -1.252 10.784 15.182 1.00 0.00 ? 11 GLN A HB3 19 ATOM 10310 H HG2 . GLN A 1 11 ? -0.218 8.512 14.609 1.00 0.00 ? 11 GLN A HG2 19 ATOM 10311 H HG3 . GLN A 1 11 ? 0.937 8.738 15.967 1.00 0.00 ? 11 GLN A HG3 19 ATOM 10312 H HE21 . GLN A 1 11 ? -1.387 6.740 15.711 1.00 0.00 ? 11 GLN A HE21 19 ATOM 10313 H HE22 . GLN A 1 11 ? -2.367 7.027 17.125 1.00 0.00 ? 11 GLN A HE22 19 ATOM 10314 N N . ASP A 1 12 ? 2.901 10.301 13.938 1.00 0.00 ? 12 ASP A N 19 ATOM 10315 C CA . ASP A 1 12 ? 4.357 10.223 13.871 1.00 0.00 ? 12 ASP A CA 19 ATOM 10316 C C . ASP A 1 12 ? 5.014 11.425 13.213 1.00 0.00 ? 12 ASP A C 19 ATOM 10317 O O . ASP A 1 12 ? 6.137 11.785 13.543 1.00 0.00 ? 12 ASP A O 19 ATOM 10318 C CB . ASP A 1 12 ? 4.796 8.956 13.069 1.00 0.00 ? 12 ASP A CB 19 ATOM 10319 C CG . ASP A 1 12 ? 4.784 7.790 14.042 1.00 0.00 ? 12 ASP A CG 19 ATOM 10320 O OD1 . ASP A 1 12 ? 5.781 7.703 14.805 1.00 0.00 ? 12 ASP A OD1 19 ATOM 10321 O OD2 . ASP A 1 12 ? 3.784 7.019 14.049 1.00 0.00 ? 12 ASP A OD2 19 ATOM 10322 H H . ASP A 1 12 ? 2.457 9.583 13.412 1.00 0.00 ? 12 ASP A H 19 ATOM 10323 H HA . ASP A 1 12 ? 4.743 10.174 14.880 1.00 0.00 ? 12 ASP A HA 19 ATOM 10324 H HB2 . ASP A 1 12 ? 4.093 8.753 12.229 1.00 0.00 ? 12 ASP A HB2 19 ATOM 10325 H HB3 . ASP A 1 12 ? 5.822 8.989 12.628 1.00 0.00 ? 12 ASP A HB3 19 ATOM 10326 N N . ALA A 1 13 ? 4.307 12.118 12.278 1.00 0.00 ? 13 ALA A N 19 ATOM 10327 C CA . ALA A 1 13 ? 4.867 13.235 11.519 1.00 0.00 ? 13 ALA A CA 19 ATOM 10328 C C . ALA A 1 13 ? 4.415 14.526 12.115 1.00 0.00 ? 13 ALA A C 19 ATOM 10329 O O . ALA A 1 13 ? 5.134 15.517 12.047 1.00 0.00 ? 13 ALA A O 19 ATOM 10330 C CB . ALA A 1 13 ? 4.511 13.244 10.019 1.00 0.00 ? 13 ALA A CB 19 ATOM 10331 H H . ALA A 1 13 ? 3.338 11.890 12.095 1.00 0.00 ? 13 ALA A H 19 ATOM 10332 H HA . ALA A 1 13 ? 5.949 13.228 11.576 1.00 0.00 ? 13 ALA A HA 19 ATOM 10333 H HB1 . ALA A 1 13 ? 3.424 13.079 9.843 1.00 0.00 ? 13 ALA A HB1 19 ATOM 10334 H HB2 . ALA A 1 13 ? 4.845 14.160 9.477 1.00 0.00 ? 13 ALA A HB2 19 ATOM 10335 H HB3 . ALA A 1 13 ? 5.056 12.392 9.569 1.00 0.00 ? 13 ALA A HB3 19 ATOM 10336 N N . GLU A 1 14 ? 3.226 14.518 12.776 1.00 0.00 ? 14 GLU A N 19 ATOM 10337 C CA . GLU A 1 14 ? 2.588 15.610 13.484 1.00 0.00 ? 14 GLU A CA 19 ATOM 10338 C C . GLU A 1 14 ? 3.258 15.861 14.825 1.00 0.00 ? 14 GLU A C 19 ATOM 10339 O O . GLU A 1 14 ? 3.386 17.000 15.259 1.00 0.00 ? 14 GLU A O 19 ATOM 10340 C CB . GLU A 1 14 ? 1.090 15.279 13.674 1.00 0.00 ? 14 GLU A CB 19 ATOM 10341 C CG . GLU A 1 14 ? 0.201 16.437 14.177 1.00 0.00 ? 14 GLU A CG 19 ATOM 10342 C CD . GLU A 1 14 ? -1.199 15.879 14.388 1.00 0.00 ? 14 GLU A CD 19 ATOM 10343 O OE1 . GLU A 1 14 ? -1.265 14.857 15.124 1.00 0.00 ? 14 GLU A OE1 19 ATOM 10344 O OE2 . GLU A 1 14 ? -2.177 16.426 13.816 1.00 0.00 ? 14 GLU A OE2 19 ATOM 10345 H H . GLU A 1 14 ? 2.670 13.691 12.726 1.00 0.00 ? 14 GLU A H 19 ATOM 10346 H HA . GLU A 1 14 ? 2.672 16.507 12.885 1.00 0.00 ? 14 GLU A HA 19 ATOM 10347 H HB2 . GLU A 1 14 ? 0.676 14.961 12.689 1.00 0.00 ? 14 GLU A HB2 19 ATOM 10348 H HB3 . GLU A 1 14 ? 0.971 14.413 14.366 1.00 0.00 ? 14 GLU A HB3 19 ATOM 10349 H HG2 . GLU A 1 14 ? 0.565 16.828 15.153 1.00 0.00 ? 14 GLU A HG2 19 ATOM 10350 H HG3 . GLU A 1 14 ? 0.190 17.260 13.432 1.00 0.00 ? 14 GLU A HG3 19 ATOM 10351 N N . GLN A 1 15 ? 3.784 14.778 15.475 1.00 0.00 ? 15 GLN A N 19 ATOM 10352 C CA . GLN A 1 15 ? 4.608 14.819 16.680 1.00 0.00 ? 15 GLN A CA 19 ATOM 10353 C C . GLN A 1 15 ? 6.049 15.148 16.354 1.00 0.00 ? 15 GLN A C 19 ATOM 10354 O O . GLN A 1 15 ? 6.698 15.895 17.093 1.00 0.00 ? 15 GLN A O 19 ATOM 10355 C CB . GLN A 1 15 ? 4.537 13.505 17.509 1.00 0.00 ? 15 GLN A CB 19 ATOM 10356 C CG . GLN A 1 15 ? 4.910 13.632 19.008 1.00 0.00 ? 15 GLN A CG 19 ATOM 10357 C CD . GLN A 1 15 ? 6.341 13.179 19.326 1.00 0.00 ? 15 GLN A CD 19 ATOM 10358 O OE1 . GLN A 1 15 ? 6.542 12.017 19.680 1.00 0.00 ? 15 GLN A OE1 19 ATOM 10359 N NE2 . GLN A 1 15 ? 7.327 14.105 19.265 1.00 0.00 ? 15 GLN A NE2 19 ATOM 10360 H H . GLN A 1 15 ? 3.566 13.855 15.148 1.00 0.00 ? 15 GLN A H 19 ATOM 10361 H HA . GLN A 1 15 ? 4.237 15.611 17.317 1.00 0.00 ? 15 GLN A HA 19 ATOM 10362 H HB2 . GLN A 1 15 ? 3.462 13.212 17.517 1.00 0.00 ? 15 GLN A HB2 19 ATOM 10363 H HB3 . GLN A 1 15 ? 5.076 12.652 17.035 1.00 0.00 ? 15 GLN A HB3 19 ATOM 10364 H HG2 . GLN A 1 15 ? 4.720 14.662 19.380 1.00 0.00 ? 15 GLN A HG2 19 ATOM 10365 H HG3 . GLN A 1 15 ? 4.252 12.944 19.580 1.00 0.00 ? 15 GLN A HG3 19 ATOM 10366 H HE21 . GLN A 1 15 ? 7.200 14.954 18.735 1.00 0.00 ? 15 GLN A HE21 19 ATOM 10367 H HE22 . GLN A 1 15 ? 8.224 13.893 19.639 1.00 0.00 ? 15 GLN A HE22 19 ATOM 10368 N N . ALA A 1 16 ? 6.564 14.647 15.188 1.00 0.00 ? 16 ALA A N 19 ATOM 10369 C CA . ALA A 1 16 ? 7.940 14.864 14.729 1.00 0.00 ? 16 ALA A CA 19 ATOM 10370 C C . ALA A 1 16 ? 8.158 16.253 14.153 1.00 0.00 ? 16 ALA A C 19 ATOM 10371 O O . ALA A 1 16 ? 9.227 16.844 14.286 1.00 0.00 ? 16 ALA A O 19 ATOM 10372 C CB . ALA A 1 16 ? 8.409 13.829 13.683 1.00 0.00 ? 16 ALA A CB 19 ATOM 10373 H H . ALA A 1 16 ? 6.022 14.017 14.630 1.00 0.00 ? 16 ALA A H 19 ATOM 10374 H HA . ALA A 1 16 ? 8.595 14.755 15.583 1.00 0.00 ? 16 ALA A HA 19 ATOM 10375 H HB1 . ALA A 1 16 ? 8.263 12.806 14.090 1.00 0.00 ? 16 ALA A HB1 19 ATOM 10376 H HB2 . ALA A 1 16 ? 7.831 13.887 12.735 1.00 0.00 ? 16 ALA A HB2 19 ATOM 10377 H HB3 . ALA A 1 16 ? 9.490 13.936 13.446 1.00 0.00 ? 16 ALA A HB3 19 ATOM 10378 N N . ALA A 1 17 ? 7.077 16.859 13.583 1.00 0.00 ? 17 ALA A N 19 ATOM 10379 C CA . ALA A 1 17 ? 6.959 18.263 13.199 1.00 0.00 ? 17 ALA A CA 19 ATOM 10380 C C . ALA A 1 17 ? 6.898 19.224 14.372 1.00 0.00 ? 17 ALA A C 19 ATOM 10381 O O . ALA A 1 17 ? 7.209 20.401 14.227 1.00 0.00 ? 17 ALA A O 19 ATOM 10382 C CB . ALA A 1 17 ? 5.683 18.509 12.343 1.00 0.00 ? 17 ALA A CB 19 ATOM 10383 H H . ALA A 1 17 ? 6.275 16.303 13.331 1.00 0.00 ? 17 ALA A H 19 ATOM 10384 H HA . ALA A 1 17 ? 7.822 18.530 12.604 1.00 0.00 ? 17 ALA A HA 19 ATOM 10385 H HB1 . ALA A 1 17 ? 4.754 18.188 12.869 1.00 0.00 ? 17 ALA A HB1 19 ATOM 10386 H HB2 . ALA A 1 17 ? 5.557 19.574 12.045 1.00 0.00 ? 17 ALA A HB2 19 ATOM 10387 H HB3 . ALA A 1 17 ? 5.741 17.909 11.410 1.00 0.00 ? 17 ALA A HB3 19 ATOM 10388 N N . LYS A 1 18 ? 6.521 18.747 15.588 1.00 0.00 ? 18 LYS A N 19 ATOM 10389 C CA . LYS A 1 18 ? 6.244 19.545 16.770 1.00 0.00 ? 18 LYS A CA 19 ATOM 10390 C C . LYS A 1 18 ? 7.512 19.743 17.586 1.00 0.00 ? 18 LYS A C 19 ATOM 10391 O O . LYS A 1 18 ? 7.613 20.636 18.414 1.00 0.00 ? 18 LYS A O 19 ATOM 10392 C CB . LYS A 1 18 ? 5.132 18.891 17.651 1.00 0.00 ? 18 LYS A CB 19 ATOM 10393 C CG . LYS A 1 18 ? 4.271 19.874 18.461 1.00 0.00 ? 18 LYS A CG 19 ATOM 10394 C CD . LYS A 1 18 ? 3.581 19.253 19.692 1.00 0.00 ? 18 LYS A CD 19 ATOM 10395 C CE . LYS A 1 18 ? 2.754 20.288 20.501 1.00 0.00 ? 18 LYS A CE 19 ATOM 10396 N NZ . LYS A 1 18 ? 2.369 19.791 21.863 1.00 0.00 ? 18 LYS A NZ 19 ATOM 10397 H H . LYS A 1 18 ? 6.363 17.769 15.696 1.00 0.00 ? 18 LYS A H 19 ATOM 10398 H HA . LYS A 1 18 ? 5.884 20.518 16.452 1.00 0.00 ? 18 LYS A HA 19 ATOM 10399 H HB2 . LYS A 1 18 ? 4.409 18.406 16.962 1.00 0.00 ? 18 LYS A HB2 19 ATOM 10400 H HB3 . LYS A 1 18 ? 5.538 18.076 18.299 1.00 0.00 ? 18 LYS A HB3 19 ATOM 10401 H HG2 . LYS A 1 18 ? 4.923 20.708 18.793 1.00 0.00 ? 18 LYS A HG2 19 ATOM 10402 H HG3 . LYS A 1 18 ? 3.523 20.311 17.762 1.00 0.00 ? 18 LYS A HG3 19 ATOM 10403 H HD2 . LYS A 1 18 ? 2.948 18.398 19.360 1.00 0.00 ? 18 LYS A HD2 19 ATOM 10404 H HD3 . LYS A 1 18 ? 4.398 18.846 20.333 1.00 0.00 ? 18 LYS A HD3 19 ATOM 10405 H HE2 . LYS A 1 18 ? 3.373 21.200 20.654 1.00 0.00 ? 18 LYS A HE2 19 ATOM 10406 H HE3 . LYS A 1 18 ? 1.829 20.580 19.957 1.00 0.00 ? 18 LYS A HE3 19 ATOM 10407 H HZ1 . LYS A 1 18 ? 3.237 19.524 22.377 1.00 0.00 ? 18 LYS A HZ1 19 ATOM 10408 H HZ2 . LYS A 1 18 ? 1.884 20.545 22.398 1.00 0.00 ? 18 LYS A HZ2 19 ATOM 10409 H HZ3 . LYS A 1 18 ? 1.735 18.967 21.793 1.00 0.00 ? 18 LYS A HZ3 19 ATOM 10410 N N . ASP A 1 19 ? 8.553 18.912 17.347 1.00 0.00 ? 19 ASP A N 19 ATOM 10411 C CA . ASP A 1 19 ? 9.860 18.927 18.011 1.00 0.00 ? 19 ASP A CA 19 ATOM 10412 C C . ASP A 1 19 ? 10.787 19.985 17.403 1.00 0.00 ? 19 ASP A C 19 ATOM 10413 O O . ASP A 1 19 ? 11.825 20.323 17.959 1.00 0.00 ? 19 ASP A O 19 ATOM 10414 C CB . ASP A 1 19 ? 10.511 17.491 17.994 1.00 0.00 ? 19 ASP A CB 19 ATOM 10415 C CG . ASP A 1 19 ? 11.679 17.281 18.973 1.00 0.00 ? 19 ASP A CG 19 ATOM 10416 O OD1 . ASP A 1 19 ? 11.510 17.681 20.156 1.00 0.00 ? 19 ASP A OD1 19 ATOM 10417 O OD2 . ASP A 1 19 ? 12.712 16.685 18.557 1.00 0.00 ? 19 ASP A OD2 19 ATOM 10418 H H . ASP A 1 19 ? 8.395 18.171 16.710 1.00 0.00 ? 19 ASP A H 19 ATOM 10419 H HA . ASP A 1 19 ? 9.711 19.197 19.051 1.00 0.00 ? 19 ASP A HA 19 ATOM 10420 H HB2 . ASP A 1 19 ? 9.745 16.776 18.355 1.00 0.00 ? 19 ASP A HB2 19 ATOM 10421 H HB3 . ASP A 1 19 ? 10.815 17.172 16.973 1.00 0.00 ? 19 ASP A HB3 19 ATOM 10422 N N . ALA A 1 20 ? 10.402 20.595 16.245 1.00 0.00 ? 20 ALA A N 19 ATOM 10423 C CA . ALA A 1 20 ? 11.211 21.516 15.448 1.00 0.00 ? 20 ALA A CA 19 ATOM 10424 C C . ALA A 1 20 ? 11.058 22.956 15.901 1.00 0.00 ? 20 ALA A C 19 ATOM 10425 O O . ALA A 1 20 ? 11.960 23.782 15.737 1.00 0.00 ? 20 ALA A O 19 ATOM 10426 C CB . ALA A 1 20 ? 10.825 21.426 13.945 1.00 0.00 ? 20 ALA A CB 19 ATOM 10427 H H . ALA A 1 20 ? 9.508 20.363 15.870 1.00 0.00 ? 20 ALA A H 19 ATOM 10428 H HA . ALA A 1 20 ? 12.258 21.251 15.542 1.00 0.00 ? 20 ALA A HA 19 ATOM 10429 H HB1 . ALA A 1 20 ? 9.744 21.650 13.790 1.00 0.00 ? 20 ALA A HB1 19 ATOM 10430 H HB2 . ALA A 1 20 ? 11.431 22.102 13.298 1.00 0.00 ? 20 ALA A HB2 19 ATOM 10431 H HB3 . ALA A 1 20 ? 10.988 20.388 13.582 1.00 0.00 ? 20 ALA A HB3 19 ATOM 10432 N N . GLU A 1 21 ? 9.872 23.273 16.485 1.00 0.00 ? 21 GLU A N 19 ATOM 10433 C CA . GLU A 1 21 ? 9.496 24.545 17.079 1.00 0.00 ? 21 GLU A CA 19 ATOM 10434 C C . GLU A 1 21 ? 9.829 24.575 18.539 1.00 0.00 ? 21 GLU A C 19 ATOM 10435 O O . GLU A 1 21 ? 10.206 25.607 19.095 1.00 0.00 ? 21 GLU A O 19 ATOM 10436 C CB . GLU A 1 21 ? 7.971 24.804 16.901 1.00 0.00 ? 21 GLU A CB 19 ATOM 10437 C CG . GLU A 1 21 ? 7.024 23.808 17.641 1.00 0.00 ? 21 GLU A CG 19 ATOM 10438 C CD . GLU A 1 21 ? 5.583 23.985 17.254 1.00 0.00 ? 21 GLU A CD 19 ATOM 10439 O OE1 . GLU A 1 21 ? 5.379 24.532 16.148 1.00 0.00 ? 21 GLU A OE1 19 ATOM 10440 O OE2 . GLU A 1 21 ? 4.674 23.565 18.029 1.00 0.00 ? 21 GLU A OE2 19 ATOM 10441 H H . GLU A 1 21 ? 9.174 22.564 16.553 1.00 0.00 ? 21 GLU A H 19 ATOM 10442 H HA . GLU A 1 21 ? 10.095 25.336 16.640 1.00 0.00 ? 21 GLU A HA 19 ATOM 10443 H HB2 . GLU A 1 21 ? 7.701 25.835 17.212 1.00 0.00 ? 21 GLU A HB2 19 ATOM 10444 H HB3 . GLU A 1 21 ? 7.752 24.738 15.813 1.00 0.00 ? 21 GLU A HB3 19 ATOM 10445 H HG2 . GLU A 1 21 ? 7.291 22.767 17.393 1.00 0.00 ? 21 GLU A HG2 19 ATOM 10446 H HG3 . GLU A 1 21 ? 7.076 23.949 18.741 1.00 0.00 ? 21 GLU A HG3 19 ATOM 10447 N N . ASN A 1 22 ? 9.674 23.375 19.176 1.00 0.00 ? 22 ASN A N 19 ATOM 10448 C CA . ASN A 1 22 ? 9.661 23.177 20.616 1.00 0.00 ? 22 ASN A CA 19 ATOM 10449 C C . ASN A 1 22 ? 11.051 22.994 21.107 1.00 0.00 ? 22 ASN A C 19 ATOM 10450 O O . ASN A 1 22 ? 11.320 23.264 22.269 1.00 0.00 ? 22 ASN A O 19 ATOM 10451 C CB . ASN A 1 22 ? 8.779 22.007 21.134 1.00 0.00 ? 22 ASN A CB 19 ATOM 10452 C CG . ASN A 1 22 ? 7.323 22.474 21.189 1.00 0.00 ? 22 ASN A CG 19 ATOM 10453 O OD1 . ASN A 1 22 ? 6.972 23.525 21.722 1.00 0.00 ? 22 ASN A OD1 19 ATOM 10454 N ND2 . ASN A 1 22 ? 6.419 21.696 20.565 1.00 0.00 ? 22 ASN A ND2 19 ATOM 10455 H H . ASN A 1 22 ? 9.403 22.582 18.634 1.00 0.00 ? 22 ASN A H 19 ATOM 10456 H HA . ASN A 1 22 ? 9.293 24.078 21.075 1.00 0.00 ? 22 ASN A HA 19 ATOM 10457 H HB2 . ASN A 1 22 ? 8.909 21.114 20.481 1.00 0.00 ? 22 ASN A HB2 19 ATOM 10458 H HB3 . ASN A 1 22 ? 9.024 21.714 22.182 1.00 0.00 ? 22 ASN A HB3 19 ATOM 10459 H HD21 . ASN A 1 22 ? 6.773 21.069 19.851 1.00 0.00 ? 22 ASN A HD21 19 ATOM 10460 H HD22 . ASN A 1 22 ? 5.484 22.044 20.482 1.00 0.00 ? 22 ASN A HD22 19 ATOM 10461 N N . ALA A 1 23 ? 12.002 22.670 20.178 1.00 0.00 ? 23 ALA A N 19 ATOM 10462 C CA . ALA A 1 23 ? 13.442 22.537 20.401 1.00 0.00 ? 23 ALA A CA 19 ATOM 10463 C C . ALA A 1 23 ? 14.131 23.782 20.934 1.00 0.00 ? 23 ALA A C 19 ATOM 10464 O O . ALA A 1 23 ? 15.003 23.682 21.793 1.00 0.00 ? 23 ALA A O 19 ATOM 10465 C CB . ALA A 1 23 ? 14.208 22.079 19.128 1.00 0.00 ? 23 ALA A CB 19 ATOM 10466 H H . ALA A 1 23 ? 11.693 22.469 19.248 1.00 0.00 ? 23 ALA A H 19 ATOM 10467 H HA . ALA A 1 23 ? 13.558 21.770 21.155 1.00 0.00 ? 23 ALA A HA 19 ATOM 10468 H HB1 . ALA A 1 23 ? 14.070 22.780 18.273 1.00 0.00 ? 23 ALA A HB1 19 ATOM 10469 H HB2 . ALA A 1 23 ? 15.301 21.948 19.313 1.00 0.00 ? 23 ALA A HB2 19 ATOM 10470 H HB3 . ALA A 1 23 ? 13.823 21.083 18.829 1.00 0.00 ? 23 ALA A HB3 19 ATOM 10471 N N . SER A 1 24 ? 13.719 25.005 20.480 1.00 0.00 ? 24 SER A N 19 ATOM 10472 C CA . SER A 1 24 ? 14.151 26.271 21.102 1.00 0.00 ? 24 SER A CA 19 ATOM 10473 C C . SER A 1 24 ? 13.220 26.747 22.202 1.00 0.00 ? 24 SER A C 19 ATOM 10474 O O . SER A 1 24 ? 13.506 27.771 22.824 1.00 0.00 ? 24 SER A O 19 ATOM 10475 C CB . SER A 1 24 ? 14.318 27.412 20.041 1.00 0.00 ? 24 SER A CB 19 ATOM 10476 O OG . SER A 1 24 ? 14.791 28.669 20.551 1.00 0.00 ? 24 SER A OG 19 ATOM 10477 H H . SER A 1 24 ? 13.049 25.073 19.725 1.00 0.00 ? 24 SER A H 19 ATOM 10478 H HA . SER A 1 24 ? 15.098 26.106 21.606 1.00 0.00 ? 24 SER A HA 19 ATOM 10479 H HB2 . SER A 1 24 ? 15.056 27.051 19.295 1.00 0.00 ? 24 SER A HB2 19 ATOM 10480 H HB3 . SER A 1 24 ? 13.338 27.583 19.540 1.00 0.00 ? 24 SER A HB3 19 ATOM 10481 H HG . SER A 1 24 ? 14.373 28.764 21.423 1.00 0.00 ? 24 SER A HG 19 ATOM 10482 N N . LYS A 1 25 ? 12.064 26.065 22.407 1.00 0.00 ? 25 LYS A N 19 ATOM 10483 C CA . LYS A 1 25 ? 11.127 26.271 23.509 1.00 0.00 ? 25 LYS A CA 19 ATOM 10484 C C . LYS A 1 25 ? 11.391 25.365 24.691 1.00 0.00 ? 25 LYS A C 19 ATOM 10485 O O . LYS A 1 25 ? 10.691 25.428 25.690 1.00 0.00 ? 25 LYS A O 19 ATOM 10486 C CB . LYS A 1 25 ? 9.646 26.186 23.045 1.00 0.00 ? 25 LYS A CB 19 ATOM 10487 C CG . LYS A 1 25 ? 8.962 27.541 22.858 1.00 0.00 ? 25 LYS A CG 19 ATOM 10488 C CD . LYS A 1 25 ? 9.756 28.543 21.995 1.00 0.00 ? 25 LYS A CD 19 ATOM 10489 C CE . LYS A 1 25 ? 9.001 29.839 21.692 1.00 0.00 ? 25 LYS A CE 19 ATOM 10490 N NZ . LYS A 1 25 ? 8.553 30.491 22.938 1.00 0.00 ? 25 LYS A NZ 19 ATOM 10491 H H . LYS A 1 25 ? 11.875 25.212 21.908 1.00 0.00 ? 25 LYS A H 19 ATOM 10492 H HA . LYS A 1 25 ? 11.271 27.269 23.912 1.00 0.00 ? 25 LYS A HA 19 ATOM 10493 H HB2 . LYS A 1 25 ? 9.640 25.710 22.050 1.00 0.00 ? 25 LYS A HB2 19 ATOM 10494 H HB3 . LYS A 1 25 ? 8.988 25.578 23.711 1.00 0.00 ? 25 LYS A HB3 19 ATOM 10495 H HG2 . LYS A 1 25 ? 7.985 27.311 22.375 1.00 0.00 ? 25 LYS A HG2 19 ATOM 10496 H HG3 . LYS A 1 25 ? 8.774 27.944 23.874 1.00 0.00 ? 25 LYS A HG3 19 ATOM 10497 H HD2 . LYS A 1 25 ? 10.704 28.832 22.506 1.00 0.00 ? 25 LYS A HD2 19 ATOM 10498 H HD3 . LYS A 1 25 ? 10.024 28.039 21.036 1.00 0.00 ? 25 LYS A HD3 19 ATOM 10499 H HE2 . LYS A 1 25 ? 9.670 30.536 21.144 1.00 0.00 ? 25 LYS A HE2 19 ATOM 10500 H HE3 . LYS A 1 25 ? 8.100 29.625 21.084 1.00 0.00 ? 25 LYS A HE3 19 ATOM 10501 H HZ1 . LYS A 1 25 ? 9.413 30.645 23.576 1.00 0.00 ? 25 LYS A HZ1 19 ATOM 10502 H HZ2 . LYS A 1 25 ? 8.123 31.413 22.753 1.00 0.00 ? 25 LYS A HZ2 19 ATOM 10503 H HZ3 . LYS A 1 25 ? 7.902 29.892 23.478 1.00 0.00 ? 25 LYS A HZ3 19 ATOM 10504 N N . GLU A 1 26 ? 12.420 24.484 24.644 1.00 0.00 ? 26 GLU A N 19 ATOM 10505 C CA . GLU A 1 26 ? 12.579 23.339 25.533 1.00 0.00 ? 26 GLU A CA 19 ATOM 10506 C C . GLU A 1 26 ? 13.218 23.719 26.864 1.00 0.00 ? 26 GLU A C 19 ATOM 10507 O O . GLU A 1 26 ? 13.284 22.945 27.814 1.00 0.00 ? 26 GLU A O 19 ATOM 10508 C CB . GLU A 1 26 ? 13.321 22.217 24.741 1.00 0.00 ? 26 GLU A CB 19 ATOM 10509 C CG . GLU A 1 26 ? 13.253 20.766 25.263 1.00 0.00 ? 26 GLU A CG 19 ATOM 10510 C CD . GLU A 1 26 ? 11.831 20.195 25.280 1.00 0.00 ? 26 GLU A CD 19 ATOM 10511 O OE1 . GLU A 1 26 ? 10.867 20.849 24.798 1.00 0.00 ? 26 GLU A OE1 19 ATOM 10512 O OE2 . GLU A 1 26 ? 11.725 19.066 25.816 1.00 0.00 ? 26 GLU A OE2 19 ATOM 10513 H H . GLU A 1 26 ? 12.937 24.393 23.799 1.00 0.00 ? 26 GLU A H 19 ATOM 10514 H HA . GLU A 1 26 ? 11.597 22.952 25.766 1.00 0.00 ? 26 GLU A HA 19 ATOM 10515 H HB2 . GLU A 1 26 ? 12.836 22.148 23.741 1.00 0.00 ? 26 GLU A HB2 19 ATOM 10516 H HB3 . GLU A 1 26 ? 14.383 22.492 24.557 1.00 0.00 ? 26 GLU A HB3 19 ATOM 10517 H HG2 . GLU A 1 26 ? 13.850 20.121 24.582 1.00 0.00 ? 26 GLU A HG2 19 ATOM 10518 H HG3 . GLU A 1 26 ? 13.688 20.703 26.283 1.00 0.00 ? 26 GLU A HG3 19 ATOM 10519 N N . ALA A 1 27 ? 13.664 25.007 26.964 1.00 0.00 ? 27 ALA A N 19 ATOM 10520 C CA . ALA A 1 27 ? 13.869 25.719 28.227 1.00 0.00 ? 27 ALA A CA 19 ATOM 10521 C C . ALA A 1 27 ? 12.628 26.496 28.684 1.00 0.00 ? 27 ALA A C 19 ATOM 10522 O O . ALA A 1 27 ? 12.450 26.804 29.865 1.00 0.00 ? 27 ALA A O 19 ATOM 10523 C CB . ALA A 1 27 ? 15.057 26.715 28.128 1.00 0.00 ? 27 ALA A CB 19 ATOM 10524 H H . ALA A 1 27 ? 13.739 25.550 26.120 1.00 0.00 ? 27 ALA A H 19 ATOM 10525 H HA . ALA A 1 27 ? 14.108 25.004 29.006 1.00 0.00 ? 27 ALA A HA 19 ATOM 10526 H HB1 . ALA A 1 27 ? 14.912 27.442 27.296 1.00 0.00 ? 27 ALA A HB1 19 ATOM 10527 H HB2 . ALA A 1 27 ? 15.211 27.284 29.074 1.00 0.00 ? 27 ALA A HB2 19 ATOM 10528 H HB3 . ALA A 1 27 ? 15.998 26.162 27.924 1.00 0.00 ? 27 ALA A HB3 19 ATOM 10529 N N . GLU A 1 28 ? 11.741 26.872 27.728 1.00 0.00 ? 28 GLU A N 19 ATOM 10530 C CA . GLU A 1 28 ? 10.668 27.854 27.843 1.00 0.00 ? 28 GLU A CA 19 ATOM 10531 C C . GLU A 1 28 ? 9.356 27.241 28.282 1.00 0.00 ? 28 GLU A C 19 ATOM 10532 O O . GLU A 1 28 ? 8.522 27.910 28.889 1.00 0.00 ? 28 GLU A O 19 ATOM 10533 C CB . GLU A 1 28 ? 10.481 28.650 26.535 1.00 0.00 ? 28 GLU A CB 19 ATOM 10534 C CG . GLU A 1 28 ? 9.640 29.933 26.693 1.00 0.00 ? 28 GLU A CG 19 ATOM 10535 C CD . GLU A 1 28 ? 10.226 31.025 25.825 1.00 0.00 ? 28 GLU A CD 19 ATOM 10536 O OE1 . GLU A 1 28 ? 10.407 30.730 24.616 1.00 0.00 ? 28 GLU A OE1 19 ATOM 10537 O OE2 . GLU A 1 28 ? 10.474 32.153 26.311 1.00 0.00 ? 28 GLU A OE2 19 ATOM 10538 H H . GLU A 1 28 ? 11.746 26.401 26.841 1.00 0.00 ? 28 GLU A H 19 ATOM 10539 H HA . GLU A 1 28 ? 10.958 28.578 28.593 1.00 0.00 ? 28 GLU A HA 19 ATOM 10540 H HB2 . GLU A 1 28 ? 11.507 28.940 26.221 1.00 0.00 ? 28 GLU A HB2 19 ATOM 10541 H HB3 . GLU A 1 28 ? 10.069 28.018 25.717 1.00 0.00 ? 28 GLU A HB3 19 ATOM 10542 H HG2 . GLU A 1 28 ? 8.581 29.763 26.393 1.00 0.00 ? 28 GLU A HG2 19 ATOM 10543 H HG3 . GLU A 1 28 ? 9.665 30.273 27.752 1.00 0.00 ? 28 GLU A HG3 19 ATOM 10544 N N . GLU A 1 29 ? 9.206 25.904 28.055 1.00 0.00 ? 29 GLU A N 19 ATOM 10545 C CA . GLU A 1 29 ? 8.162 25.020 28.581 1.00 0.00 ? 29 GLU A CA 19 ATOM 10546 C C . GLU A 1 29 ? 8.384 24.762 30.071 1.00 0.00 ? 29 GLU A C 19 ATOM 10547 O O . GLU A 1 29 ? 7.454 24.519 30.841 1.00 0.00 ? 29 GLU A O 19 ATOM 10548 C CB . GLU A 1 29 ? 8.140 23.631 27.845 1.00 0.00 ? 29 GLU A CB 19 ATOM 10549 C CG . GLU A 1 29 ? 7.939 23.676 26.313 1.00 0.00 ? 29 GLU A CG 19 ATOM 10550 C CD . GLU A 1 29 ? 6.511 24.023 25.936 1.00 0.00 ? 29 GLU A CD 19 ATOM 10551 O OE1 . GLU A 1 29 ? 5.640 23.113 25.892 1.00 0.00 ? 29 GLU A OE1 19 ATOM 10552 O OE2 . GLU A 1 29 ? 6.269 25.228 25.660 1.00 0.00 ? 29 GLU A OE2 19 ATOM 10553 H H . GLU A 1 29 ? 9.837 25.465 27.406 1.00 0.00 ? 29 GLU A H 19 ATOM 10554 H HA . GLU A 1 29 ? 7.205 25.510 28.461 1.00 0.00 ? 29 GLU A HA 19 ATOM 10555 H HB2 . GLU A 1 29 ? 9.113 23.104 27.991 1.00 0.00 ? 29 GLU A HB2 19 ATOM 10556 H HB3 . GLU A 1 29 ? 7.340 22.963 28.240 1.00 0.00 ? 29 GLU A HB3 19 ATOM 10557 H HG2 . GLU A 1 29 ? 8.602 24.435 25.863 1.00 0.00 ? 29 GLU A HG2 19 ATOM 10558 H HG3 . GLU A 1 29 ? 8.186 22.688 25.864 1.00 0.00 ? 29 GLU A HG3 19 ATOM 10559 N N . ALA A 1 30 ? 9.682 24.897 30.486 1.00 0.00 ? 30 ALA A N 19 ATOM 10560 C CA . ALA A 1 30 ? 10.194 24.651 31.826 1.00 0.00 ? 30 ALA A CA 19 ATOM 10561 C C . ALA A 1 30 ? 10.067 25.888 32.685 1.00 0.00 ? 30 ALA A C 19 ATOM 10562 O O . ALA A 1 30 ? 9.695 25.796 33.852 1.00 0.00 ? 30 ALA A O 19 ATOM 10563 C CB . ALA A 1 30 ? 11.667 24.177 31.851 1.00 0.00 ? 30 ALA A CB 19 ATOM 10564 H H . ALA A 1 30 ? 10.361 25.154 29.795 1.00 0.00 ? 30 ALA A H 19 ATOM 10565 H HA . ALA A 1 30 ? 9.594 23.872 32.283 1.00 0.00 ? 30 ALA A HA 19 ATOM 10566 H HB1 . ALA A 1 30 ? 11.760 23.248 31.253 1.00 0.00 ? 30 ALA A HB1 19 ATOM 10567 H HB2 . ALA A 1 30 ? 12.369 24.928 31.426 1.00 0.00 ? 30 ALA A HB2 19 ATOM 10568 H HB3 . ALA A 1 30 ? 12.002 23.937 32.886 1.00 0.00 ? 30 ALA A HB3 19 ATOM 10569 N N . ALA A 1 31 ? 10.253 27.109 32.097 1.00 0.00 ? 31 ALA A N 19 ATOM 10570 C CA . ALA A 1 31 ? 9.970 28.386 32.767 1.00 0.00 ? 31 ALA A CA 19 ATOM 10571 C C . ALA A 1 31 ? 8.533 28.828 32.533 1.00 0.00 ? 31 ALA A C 19 ATOM 10572 O O . ALA A 1 31 ? 8.202 30.011 32.473 1.00 0.00 ? 31 ALA A O 19 ATOM 10573 C CB . ALA A 1 31 ? 10.934 29.526 32.354 1.00 0.00 ? 31 ALA A CB 19 ATOM 10574 H H . ALA A 1 31 ? 10.623 27.183 31.163 1.00 0.00 ? 31 ALA A H 19 ATOM 10575 H HA . ALA A 1 31 ? 10.084 28.260 33.836 1.00 0.00 ? 31 ALA A HA 19 ATOM 10576 H HB1 . ALA A 1 31 ? 11.979 29.216 32.561 1.00 0.00 ? 31 ALA A HB1 19 ATOM 10577 H HB2 . ALA A 1 31 ? 10.857 29.764 31.268 1.00 0.00 ? 31 ALA A HB2 19 ATOM 10578 H HB3 . ALA A 1 31 ? 10.746 30.459 32.933 1.00 0.00 ? 31 ALA A HB3 19 ATOM 10579 N N . LYS A 1 32 ? 7.638 27.823 32.420 1.00 0.00 ? 32 LYS A N 19 ATOM 10580 C CA . LYS A 1 32 ? 6.215 27.951 32.238 1.00 0.00 ? 32 LYS A CA 19 ATOM 10581 C C . LYS A 1 32 ? 5.529 27.203 33.362 1.00 0.00 ? 32 LYS A C 19 ATOM 10582 O O . LYS A 1 32 ? 5.145 27.789 34.377 1.00 0.00 ? 32 LYS A O 19 ATOM 10583 C CB . LYS A 1 32 ? 5.805 27.470 30.813 1.00 0.00 ? 32 LYS A CB 19 ATOM 10584 C CG . LYS A 1 32 ? 5.148 28.538 29.929 1.00 0.00 ? 32 LYS A CG 19 ATOM 10585 C CD . LYS A 1 32 ? 3.695 28.846 30.281 1.00 0.00 ? 32 LYS A CD 19 ATOM 10586 C CE . LYS A 1 32 ? 2.815 27.599 30.160 1.00 0.00 ? 32 LYS A CE 19 ATOM 10587 N NZ . LYS A 1 32 ? 1.399 27.976 30.100 1.00 0.00 ? 32 LYS A NZ 19 ATOM 10588 H H . LYS A 1 32 ? 7.988 26.886 32.386 1.00 0.00 ? 32 LYS A H 19 ATOM 10589 H HA . LYS A 1 32 ? 5.926 28.983 32.333 1.00 0.00 ? 32 LYS A HA 19 ATOM 10590 H HB2 . LYS A 1 32 ? 6.751 27.261 30.273 1.00 0.00 ? 32 LYS A HB2 19 ATOM 10591 H HB3 . LYS A 1 32 ? 5.232 26.520 30.760 1.00 0.00 ? 32 LYS A HB3 19 ATOM 10592 H HG2 . LYS A 1 32 ? 5.746 29.477 29.959 1.00 0.00 ? 32 LYS A HG2 19 ATOM 10593 H HG3 . LYS A 1 32 ? 5.179 28.164 28.878 1.00 0.00 ? 32 LYS A HG3 19 ATOM 10594 H HD2 . LYS A 1 32 ? 3.617 29.251 31.315 1.00 0.00 ? 32 LYS A HD2 19 ATOM 10595 H HD3 . LYS A 1 32 ? 3.364 29.637 29.568 1.00 0.00 ? 32 LYS A HD3 19 ATOM 10596 H HE2 . LYS A 1 32 ? 3.040 27.075 29.206 1.00 0.00 ? 32 LYS A HE2 19 ATOM 10597 H HE3 . LYS A 1 32 ? 2.967 26.898 31.011 1.00 0.00 ? 32 LYS A HE3 19 ATOM 10598 H HZ1 . LYS A 1 32 ? 1.263 28.640 29.314 1.00 0.00 ? 32 LYS A HZ1 19 ATOM 10599 H HZ2 . LYS A 1 32 ? 0.844 27.115 29.944 1.00 0.00 ? 32 LYS A HZ2 19 ATOM 10600 H HZ3 . LYS A 1 32 ? 1.042 28.465 30.996 1.00 0.00 ? 32 LYS A HZ3 19 ATOM 10601 N N . GLU A 1 33 ? 5.361 25.862 33.231 1.00 0.00 ? 33 GLU A N 19 ATOM 10602 C CA . GLU A 1 33 ? 4.376 25.095 33.987 1.00 0.00 ? 33 GLU A CA 19 ATOM 10603 C C . GLU A 1 33 ? 4.946 24.456 35.228 1.00 0.00 ? 33 GLU A C 19 ATOM 10604 O O . GLU A 1 33 ? 4.221 23.971 36.084 1.00 0.00 ? 33 GLU A O 19 ATOM 10605 C CB . GLU A 1 33 ? 3.667 24.027 33.121 1.00 0.00 ? 33 GLU A CB 19 ATOM 10606 C CG . GLU A 1 33 ? 4.583 23.164 32.225 1.00 0.00 ? 33 GLU A CG 19 ATOM 10607 C CD . GLU A 1 33 ? 3.808 21.910 31.835 1.00 0.00 ? 33 GLU A CD 19 ATOM 10608 O OE1 . GLU A 1 33 ? 2.593 22.028 31.514 1.00 0.00 ? 33 GLU A OE1 19 ATOM 10609 O OE2 . GLU A 1 33 ? 4.427 20.816 31.912 1.00 0.00 ? 33 GLU A OE2 19 ATOM 10610 H H . GLU A 1 33 ? 5.784 25.355 32.480 1.00 0.00 ? 33 GLU A H 19 ATOM 10611 H HA . GLU A 1 33 ? 3.593 25.754 34.332 1.00 0.00 ? 33 GLU A HA 19 ATOM 10612 H HB2 . GLU A 1 33 ? 3.001 23.380 33.740 1.00 0.00 ? 33 GLU A HB2 19 ATOM 10613 H HB3 . GLU A 1 33 ? 3.005 24.570 32.423 1.00 0.00 ? 33 GLU A HB3 19 ATOM 10614 H HG2 . GLU A 1 33 ? 4.865 23.713 31.303 1.00 0.00 ? 33 GLU A HG2 19 ATOM 10615 H HG3 . GLU A 1 33 ? 5.507 22.849 32.756 1.00 0.00 ? 33 GLU A HG3 19 ATOM 10616 N N . ALA A 1 34 ? 6.292 24.503 35.365 1.00 0.00 ? 34 ALA A N 19 ATOM 10617 C CA . ALA A 1 34 ? 7.035 24.123 36.563 1.00 0.00 ? 34 ALA A CA 19 ATOM 10618 C C . ALA A 1 34 ? 7.251 25.305 37.490 1.00 0.00 ? 34 ALA A C 19 ATOM 10619 O O . ALA A 1 34 ? 7.838 25.164 38.564 1.00 0.00 ? 34 ALA A O 19 ATOM 10620 C CB . ALA A 1 34 ? 8.405 23.490 36.208 1.00 0.00 ? 34 ALA A CB 19 ATOM 10621 H H . ALA A 1 34 ? 6.807 24.920 34.620 1.00 0.00 ? 34 ALA A H 19 ATOM 10622 H HA . ALA A 1 34 ? 6.475 23.378 37.114 1.00 0.00 ? 34 ALA A HA 19 ATOM 10623 H HB1 . ALA A 1 34 ? 9.029 24.181 35.598 1.00 0.00 ? 34 ALA A HB1 19 ATOM 10624 H HB2 . ALA A 1 34 ? 8.978 23.190 37.116 1.00 0.00 ? 34 ALA A HB2 19 ATOM 10625 H HB3 . ALA A 1 34 ? 8.233 22.570 35.608 1.00 0.00 ? 34 ALA A HB3 19 ATOM 10626 N N . VAL A 1 35 ? 6.808 26.512 37.049 1.00 0.00 ? 35 VAL A N 19 ATOM 10627 C CA . VAL A 1 35 ? 7.096 27.778 37.706 1.00 0.00 ? 35 VAL A CA 19 ATOM 10628 C C . VAL A 1 35 ? 5.799 28.430 38.115 1.00 0.00 ? 35 VAL A C 19 ATOM 10629 O O . VAL A 1 35 ? 5.559 28.648 39.300 1.00 0.00 ? 35 VAL A O 19 ATOM 10630 C CB . VAL A 1 35 ? 7.945 28.727 36.844 1.00 0.00 ? 35 VAL A CB 19 ATOM 10631 C CG1 . VAL A 1 35 ? 8.228 30.092 37.537 1.00 0.00 ? 35 VAL A CG1 19 ATOM 10632 C CG2 . VAL A 1 35 ? 9.281 28.022 36.542 1.00 0.00 ? 35 VAL A CG2 19 ATOM 10633 H H . VAL A 1 35 ? 6.276 26.546 36.203 1.00 0.00 ? 35 VAL A H 19 ATOM 10634 H HA . VAL A 1 35 ? 7.646 27.607 38.623 1.00 0.00 ? 35 VAL A HA 19 ATOM 10635 H HB . VAL A 1 35 ? 7.447 28.924 35.869 1.00 0.00 ? 35 VAL A HB 19 ATOM 10636 H HG11 . VAL A 1 35 ? 8.705 29.934 38.529 1.00 0.00 ? 35 VAL A HG11 19 ATOM 10637 H HG12 . VAL A 1 35 ? 8.924 30.702 36.924 1.00 0.00 ? 35 VAL A HG12 19 ATOM 10638 H HG13 . VAL A 1 35 ? 7.313 30.707 37.683 1.00 0.00 ? 35 VAL A HG13 19 ATOM 10639 H HG21 . VAL A 1 35 ? 9.795 27.743 37.486 1.00 0.00 ? 35 VAL A HG21 19 ATOM 10640 H HG22 . VAL A 1 35 ? 9.137 27.098 35.942 1.00 0.00 ? 35 VAL A HG22 19 ATOM 10641 H HG23 . VAL A 1 35 ? 9.955 28.701 35.980 1.00 0.00 ? 35 VAL A HG23 19 ATOM 10642 N N . ASN A 1 36 ? 4.956 28.825 37.127 1.00 0.00 ? 36 ASN A N 19 ATOM 10643 C CA . ASN A 1 36 ? 3.878 29.787 37.335 1.00 0.00 ? 36 ASN A CA 19 ATOM 10644 C C . ASN A 1 36 ? 2.536 29.119 37.202 1.00 0.00 ? 36 ASN A C 19 ATOM 10645 O O . ASN A 1 36 ? 1.602 29.494 37.906 1.00 0.00 ? 36 ASN A O 19 ATOM 10646 C CB . ASN A 1 36 ? 3.989 31.058 36.430 1.00 0.00 ? 36 ASN A CB 19 ATOM 10647 C CG . ASN A 1 36 ? 4.201 30.680 34.963 1.00 0.00 ? 36 ASN A CG 19 ATOM 10648 O OD1 . ASN A 1 36 ? 3.246 30.333 34.273 1.00 0.00 ? 36 ASN A OD1 19 ATOM 10649 N ND2 . ASN A 1 36 ? 5.458 30.672 34.473 1.00 0.00 ? 36 ASN A ND2 19 ATOM 10650 H H . ASN A 1 36 ? 5.124 28.564 36.172 1.00 0.00 ? 36 ASN A H 19 ATOM 10651 H HA . ASN A 1 36 ? 3.888 30.159 38.350 1.00 0.00 ? 36 ASN A HA 19 ATOM 10652 H HB2 . ASN A 1 36 ? 3.084 31.698 36.512 1.00 0.00 ? 36 ASN A HB2 19 ATOM 10653 H HB3 . ASN A 1 36 ? 4.849 31.660 36.786 1.00 0.00 ? 36 ASN A HB3 19 ATOM 10654 H HD21 . ASN A 1 36 ? 6.227 31.011 35.010 1.00 0.00 ? 36 ASN A HD21 19 ATOM 10655 H HD22 . ASN A 1 36 ? 5.617 30.098 33.674 1.00 0.00 ? 36 ASN A HD22 19 ATOM 10656 N N . LEU A 1 37 ? 2.407 28.124 36.272 1.00 0.00 ? 37 LEU A N 19 ATOM 10657 C CA . LEU A 1 37 ? 1.278 27.199 36.142 1.00 0.00 ? 37 LEU A CA 19 ATOM 10658 C C . LEU A 1 37 ? 0.048 27.825 35.510 1.00 0.00 ? 37 LEU A C 19 ATOM 10659 O O . LEU A 1 37 ? -1.087 27.391 35.715 1.00 0.00 ? 37 LEU A O 19 ATOM 10660 C CB . LEU A 1 37 ? 0.925 26.437 37.466 1.00 0.00 ? 37 LEU A CB 19 ATOM 10661 C CG . LEU A 1 37 ? 1.152 24.918 37.390 1.00 0.00 ? 37 LEU A CG 19 ATOM 10662 C CD1 . LEU A 1 37 ? 2.088 24.472 38.521 1.00 0.00 ? 37 LEU A CD1 19 ATOM 10663 C CD2 . LEU A 1 37 ? -0.179 24.156 37.367 1.00 0.00 ? 37 LEU A CD2 19 ATOM 10664 H H . LEU A 1 37 ? 3.157 27.953 35.635 1.00 0.00 ? 37 LEU A H 19 ATOM 10665 H HA . LEU A 1 37 ? 1.613 26.459 35.431 1.00 0.00 ? 37 LEU A HA 19 ATOM 10666 H HB2 . LEU A 1 37 ? 1.585 26.810 38.280 1.00 0.00 ? 37 LEU A HB2 19 ATOM 10667 H HB3 . LEU A 1 37 ? -0.108 26.632 37.845 1.00 0.00 ? 37 LEU A HB3 19 ATOM 10668 H HG . LEU A 1 37 ? 1.676 24.675 36.441 1.00 0.00 ? 37 LEU A HG 19 ATOM 10669 H HD11 . LEU A 1 37 ? 1.675 24.767 39.507 1.00 0.00 ? 37 LEU A HD11 19 ATOM 10670 H HD12 . LEU A 1 37 ? 2.240 23.374 38.496 1.00 0.00 ? 37 LEU A HD12 19 ATOM 10671 H HD13 . LEU A 1 37 ? 3.080 24.958 38.396 1.00 0.00 ? 37 LEU A HD13 19 ATOM 10672 H HD21 . LEU A 1 37 ? -0.814 24.523 36.529 1.00 0.00 ? 37 LEU A HD21 19 ATOM 10673 H HD22 . LEU A 1 37 ? -0.003 23.070 37.239 1.00 0.00 ? 37 LEU A HD22 19 ATOM 10674 H HD23 . LEU A 1 37 ? -0.730 24.324 38.315 1.00 0.00 ? 37 LEU A HD23 19 ATOM 10675 N N . LYS A 1 38 ? 0.270 28.922 34.763 1.00 0.00 ? 38 LYS A N 19 ATOM 10676 C CA . LYS A 1 38 ? -0.763 29.717 34.163 1.00 0.00 ? 38 LYS A CA 19 ATOM 10677 C C . LYS A 1 38 ? -0.188 30.088 32.775 1.00 0.00 ? 38 LYS A C 19 ATOM 10678 O O . LYS A 1 38 ? 0.317 29.161 32.077 1.00 0.00 ? 38 LYS A O 19 ATOM 10679 C CB . LYS A 1 38 ? -1.062 30.959 35.047 1.00 0.00 ? 38 LYS A CB 19 ATOM 10680 C CG . LYS A 1 38 ? -2.416 31.617 34.782 1.00 0.00 ? 38 LYS A CG 19 ATOM 10681 C CD . LYS A 1 38 ? -2.572 32.993 35.441 1.00 0.00 ? 38 LYS A CD 19 ATOM 10682 C CE . LYS A 1 38 ? -2.445 32.989 36.975 1.00 0.00 ? 38 LYS A CE 19 ATOM 10683 N NZ . LYS A 1 38 ? -2.676 34.349 37.526 1.00 0.00 ? 38 LYS A NZ 19 ATOM 10684 O OXT . LYS A 1 38 ? -0.260 31.281 32.390 1.00 0.00 ? 38 LYS A OXT 19 ATOM 10685 H H . LYS A 1 38 ? 1.197 29.264 34.596 1.00 0.00 ? 38 LYS A H 19 ATOM 10686 H HA . LYS A 1 38 ? -1.660 29.128 34.008 1.00 0.00 ? 38 LYS A HA 19 ATOM 10687 H HB2 . LYS A 1 38 ? -1.080 30.618 36.104 1.00 0.00 ? 38 LYS A HB2 19 ATOM 10688 H HB3 . LYS A 1 38 ? -0.242 31.699 34.937 1.00 0.00 ? 38 LYS A HB3 19 ATOM 10689 H HG2 . LYS A 1 38 ? -2.524 31.738 33.680 1.00 0.00 ? 38 LYS A HG2 19 ATOM 10690 H HG3 . LYS A 1 38 ? -3.224 30.932 35.122 1.00 0.00 ? 38 LYS A HG3 19 ATOM 10691 H HD2 . LYS A 1 38 ? -1.797 33.657 34.997 1.00 0.00 ? 38 LYS A HD2 19 ATOM 10692 H HD3 . LYS A 1 38 ? -3.570 33.383 35.141 1.00 0.00 ? 38 LYS A HD3 19 ATOM 10693 H HE2 . LYS A 1 38 ? -3.193 32.310 37.435 1.00 0.00 ? 38 LYS A HE2 19 ATOM 10694 H HE3 . LYS A 1 38 ? -1.427 32.673 37.288 1.00 0.00 ? 38 LYS A HE3 19 ATOM 10695 H HZ1 . LYS A 1 38 ? -2.074 35.050 37.046 1.00 0.00 ? 38 LYS A HZ1 19 ATOM 10696 H HZ2 . LYS A 1 38 ? -3.673 34.604 37.386 1.00 0.00 ? 38 LYS A HZ2 19 ATOM 10697 H HZ3 . LYS A 1 38 ? -2.469 34.368 38.543 1.00 0.00 ? 38 LYS A HZ3 19 ATOM 10698 N N . GLU A 1 1 ? 1.768 -2.964 13.172 1.00 0.00 ? 1 GLU A N 20 ATOM 10699 C CA . GLU A 1 1 ? 0.555 -3.632 13.658 1.00 0.00 ? 1 GLU A CA 20 ATOM 10700 C C . GLU A 1 1 ? -0.564 -2.647 13.489 1.00 0.00 ? 1 GLU A C 20 ATOM 10701 O O . GLU A 1 1 ? -0.922 -1.989 14.460 1.00 0.00 ? 1 GLU A O 20 ATOM 10702 C CB . GLU A 1 1 ? 0.748 -3.953 15.179 1.00 0.00 ? 1 GLU A CB 20 ATOM 10703 C CG . GLU A 1 1 ? 1.642 -5.166 15.543 1.00 0.00 ? 1 GLU A CG 20 ATOM 10704 C CD . GLU A 1 1 ? 3.120 -5.092 15.156 1.00 0.00 ? 1 GLU A CD 20 ATOM 10705 O OE1 . GLU A 1 1 ? 3.414 -4.668 14.008 1.00 0.00 ? 1 GLU A OE1 20 ATOM 10706 O OE2 . GLU A 1 1 ? 3.971 -5.453 16.010 1.00 0.00 ? 1 GLU A OE2 20 ATOM 10707 H H1 . GLU A 1 1 ? 1.857 -2.031 13.624 1.00 0.00 ? 1 GLU A H1 20 ATOM 10708 H H2 . GLU A 1 1 ? 2.579 -3.579 13.467 1.00 0.00 ? 1 GLU A H2 20 ATOM 10709 H H3 . GLU A 1 1 ? 1.778 -2.861 12.143 1.00 0.00 ? 1 GLU A H3 20 ATOM 10710 H HA . GLU A 1 1 ? 0.364 -4.534 13.087 1.00 0.00 ? 1 GLU A HA 20 ATOM 10711 H HB2 . GLU A 1 1 ? 1.116 -3.055 15.721 1.00 0.00 ? 1 GLU A HB2 20 ATOM 10712 H HB3 . GLU A 1 1 ? -0.236 -4.211 15.640 1.00 0.00 ? 1 GLU A HB3 20 ATOM 10713 H HG2 . GLU A 1 1 ? 1.609 -5.245 16.647 1.00 0.00 ? 1 GLU A HG2 20 ATOM 10714 H HG3 . GLU A 1 1 ? 1.216 -6.097 15.127 1.00 0.00 ? 1 GLU A HG3 20 ATOM 10715 N N . ALA A 1 2 ? -1.118 -2.471 12.247 1.00 0.00 ? 2 ALA A N 20 ATOM 10716 C CA . ALA A 1 2 ? -2.274 -1.618 11.932 1.00 0.00 ? 2 ALA A CA 20 ATOM 10717 C C . ALA A 1 2 ? -1.927 -0.149 11.816 1.00 0.00 ? 2 ALA A C 20 ATOM 10718 O O . ALA A 1 2 ? -2.809 0.693 11.684 1.00 0.00 ? 2 ALA A O 20 ATOM 10719 C CB . ALA A 1 2 ? -3.531 -1.800 12.852 1.00 0.00 ? 2 ALA A CB 20 ATOM 10720 H H . ALA A 1 2 ? -0.773 -2.970 11.455 1.00 0.00 ? 2 ALA A H 20 ATOM 10721 H HA . ALA A 1 2 ? -2.595 -1.911 10.944 1.00 0.00 ? 2 ALA A HA 20 ATOM 10722 H HB1 . ALA A 1 2 ? -3.270 -1.774 13.926 1.00 0.00 ? 2 ALA A HB1 20 ATOM 10723 H HB2 . ALA A 1 2 ? -4.307 -1.026 12.694 1.00 0.00 ? 2 ALA A HB2 20 ATOM 10724 H HB3 . ALA A 1 2 ? -4.009 -2.776 12.651 1.00 0.00 ? 2 ALA A HB3 20 ATOM 10725 N N . TYR A 1 3 ? -0.627 0.208 11.862 1.00 0.00 ? 3 TYR A N 20 ATOM 10726 C CA . TYR A 1 3 ? -0.228 1.588 11.933 1.00 0.00 ? 3 TYR A CA 20 ATOM 10727 C C . TYR A 1 3 ? 1.211 1.459 11.573 1.00 0.00 ? 3 TYR A C 20 ATOM 10728 O O . TYR A 1 3 ? 1.724 0.336 11.562 1.00 0.00 ? 3 TYR A O 20 ATOM 10729 C CB . TYR A 1 3 ? -0.413 2.187 13.367 1.00 0.00 ? 3 TYR A CB 20 ATOM 10730 C CG . TYR A 1 3 ? -1.193 3.472 13.311 1.00 0.00 ? 3 TYR A CG 20 ATOM 10731 C CD1 . TYR A 1 3 ? -2.598 3.452 13.353 1.00 0.00 ? 3 TYR A CD1 20 ATOM 10732 C CD2 . TYR A 1 3 ? -0.529 4.708 13.278 1.00 0.00 ? 3 TYR A CD2 20 ATOM 10733 C CE1 . TYR A 1 3 ? -3.330 4.643 13.385 1.00 0.00 ? 3 TYR A CE1 20 ATOM 10734 C CE2 . TYR A 1 3 ? -1.255 5.907 13.314 1.00 0.00 ? 3 TYR A CE2 20 ATOM 10735 C CZ . TYR A 1 3 ? -2.659 5.871 13.368 1.00 0.00 ? 3 TYR A CZ 20 ATOM 10736 O OH . TYR A 1 3 ? -3.408 7.062 13.424 1.00 0.00 ? 3 TYR A OH 20 ATOM 10737 H H . TYR A 1 3 ? 0.150 -0.425 11.899 1.00 0.00 ? 3 TYR A H 20 ATOM 10738 H HA . TYR A 1 3 ? -0.737 2.150 11.156 1.00 0.00 ? 3 TYR A HA 20 ATOM 10739 H HB2 . TYR A 1 3 ? -1.016 1.476 13.972 1.00 0.00 ? 3 TYR A HB2 20 ATOM 10740 H HB3 . TYR A 1 3 ? 0.526 2.359 13.943 1.00 0.00 ? 3 TYR A HB3 20 ATOM 10741 H HD1 . TYR A 1 3 ? -3.126 2.512 13.386 1.00 0.00 ? 3 TYR A HD1 20 ATOM 10742 H HD2 . TYR A 1 3 ? 0.548 4.728 13.259 1.00 0.00 ? 3 TYR A HD2 20 ATOM 10743 H HE1 . TYR A 1 3 ? -4.408 4.609 13.430 1.00 0.00 ? 3 TYR A HE1 20 ATOM 10744 H HE2 . TYR A 1 3 ? -0.710 6.841 13.326 1.00 0.00 ? 3 TYR A HE2 20 ATOM 10745 H HH . TYR A 1 3 ? -2.826 7.794 13.211 1.00 0.00 ? 3 TYR A HH 20 ATOM 10746 N N . LYS A 1 4 ? 1.878 2.592 11.246 1.00 0.00 ? 4 LYS A N 20 ATOM 10747 C CA . LYS A 1 4 ? 3.285 2.636 10.917 1.00 0.00 ? 4 LYS A CA 20 ATOM 10748 C C . LYS A 1 4 ? 3.713 3.929 11.551 1.00 0.00 ? 4 LYS A C 20 ATOM 10749 O O . LYS A 1 4 ? 3.622 4.980 10.923 1.00 0.00 ? 4 LYS A O 20 ATOM 10750 C CB . LYS A 1 4 ? 3.615 2.642 9.382 1.00 0.00 ? 4 LYS A CB 20 ATOM 10751 C CG . LYS A 1 4 ? 3.097 1.419 8.578 1.00 0.00 ? 4 LYS A CG 20 ATOM 10752 C CD . LYS A 1 4 ? 1.663 1.536 8.005 1.00 0.00 ? 4 LYS A CD 20 ATOM 10753 C CE . LYS A 1 4 ? 1.546 2.138 6.592 1.00 0.00 ? 4 LYS A CE 20 ATOM 10754 N NZ . LYS A 1 4 ? 2.312 3.404 6.509 1.00 0.00 ? 4 LYS A NZ 20 ATOM 10755 H H . LYS A 1 4 ? 1.431 3.484 11.276 1.00 0.00 ? 4 LYS A H 20 ATOM 10756 H HA . LYS A 1 4 ? 3.820 1.828 11.401 1.00 0.00 ? 4 LYS A HA 20 ATOM 10757 H HB2 . LYS A 1 4 ? 3.249 3.578 8.910 1.00 0.00 ? 4 LYS A HB2 20 ATOM 10758 H HB3 . LYS A 1 4 ? 4.726 2.639 9.281 1.00 0.00 ? 4 LYS A HB3 20 ATOM 10759 H HG2 . LYS A 1 4 ? 3.797 1.168 7.749 1.00 0.00 ? 4 LYS A HG2 20 ATOM 10760 H HG3 . LYS A 1 4 ? 3.123 0.560 9.286 1.00 0.00 ? 4 LYS A HG3 20 ATOM 10761 H HD2 . LYS A 1 4 ? 1.224 0.513 7.954 1.00 0.00 ? 4 LYS A HD2 20 ATOM 10762 H HD3 . LYS A 1 4 ? 1.027 2.119 8.703 1.00 0.00 ? 4 LYS A HD3 20 ATOM 10763 H HE2 . LYS A 1 4 ? 1.961 1.440 5.832 1.00 0.00 ? 4 LYS A HE2 20 ATOM 10764 H HE3 . LYS A 1 4 ? 0.486 2.357 6.337 1.00 0.00 ? 4 LYS A HE3 20 ATOM 10765 H HZ1 . LYS A 1 4 ? 3.237 3.238 6.955 1.00 0.00 ? 4 LYS A HZ1 20 ATOM 10766 H HZ2 . LYS A 1 4 ? 2.451 3.695 5.523 1.00 0.00 ? 4 LYS A HZ2 20 ATOM 10767 H HZ3 . LYS A 1 4 ? 1.815 4.150 7.033 1.00 0.00 ? 4 LYS A HZ3 20 ATOM 10768 N N . LYS A 1 5 ? 4.129 3.890 12.836 1.00 0.00 ? 5 LYS A N 20 ATOM 10769 C CA . LYS A 1 5 ? 4.524 5.026 13.637 1.00 0.00 ? 5 LYS A CA 20 ATOM 10770 C C . LYS A 1 5 ? 5.419 4.352 14.629 1.00 0.00 ? 5 LYS A C 20 ATOM 10771 O O . LYS A 1 5 ? 5.465 3.122 14.639 1.00 0.00 ? 5 LYS A O 20 ATOM 10772 C CB . LYS A 1 5 ? 3.351 5.747 14.397 1.00 0.00 ? 5 LYS A CB 20 ATOM 10773 C CG . LYS A 1 5 ? 2.585 6.794 13.574 1.00 0.00 ? 5 LYS A CG 20 ATOM 10774 C CD . LYS A 1 5 ? 3.433 7.966 13.026 1.00 0.00 ? 5 LYS A CD 20 ATOM 10775 C CE . LYS A 1 5 ? 3.286 9.301 13.781 1.00 0.00 ? 5 LYS A CE 20 ATOM 10776 N NZ . LYS A 1 5 ? 3.774 9.226 15.188 1.00 0.00 ? 5 LYS A NZ 20 ATOM 10777 H H . LYS A 1 5 ? 4.307 3.050 13.361 1.00 0.00 ? 5 LYS A H 20 ATOM 10778 H HA . LYS A 1 5 ? 5.124 5.709 13.055 1.00 0.00 ? 5 LYS A HA 20 ATOM 10779 H HB2 . LYS A 1 5 ? 2.621 4.981 14.746 1.00 0.00 ? 5 LYS A HB2 20 ATOM 10780 H HB3 . LYS A 1 5 ? 3.695 6.275 15.310 1.00 0.00 ? 5 LYS A HB3 20 ATOM 10781 H HG2 . LYS A 1 5 ? 2.167 6.250 12.700 1.00 0.00 ? 5 LYS A HG2 20 ATOM 10782 H HG3 . LYS A 1 5 ? 1.716 7.169 14.158 1.00 0.00 ? 5 LYS A HG3 20 ATOM 10783 H HD2 . LYS A 1 5 ? 4.505 7.695 12.943 1.00 0.00 ? 5 LYS A HD2 20 ATOM 10784 H HD3 . LYS A 1 5 ? 3.067 8.154 11.990 1.00 0.00 ? 5 LYS A HD3 20 ATOM 10785 H HE2 . LYS A 1 5 ? 3.851 10.108 13.260 1.00 0.00 ? 5 LYS A HE2 20 ATOM 10786 H HE3 . LYS A 1 5 ? 2.213 9.584 13.802 1.00 0.00 ? 5 LYS A HE3 20 ATOM 10787 H HZ1 . LYS A 1 5 ? 3.574 8.281 15.565 1.00 0.00 ? 5 LYS A HZ1 20 ATOM 10788 H HZ2 . LYS A 1 5 ? 4.801 9.434 15.280 1.00 0.00 ? 5 LYS A HZ2 20 ATOM 10789 H HZ3 . LYS A 1 5 ? 3.258 9.917 15.764 1.00 0.00 ? 5 LYS A HZ3 20 ATOM 10790 N N . ALA A 1 6 ? 6.119 5.138 15.486 1.00 0.00 ? 6 ALA A N 20 ATOM 10791 C CA . ALA A 1 6 ? 7.011 4.679 16.539 1.00 0.00 ? 6 ALA A CA 20 ATOM 10792 C C . ALA A 1 6 ? 6.253 4.488 17.839 1.00 0.00 ? 6 ALA A C 20 ATOM 10793 O O . ALA A 1 6 ? 6.385 3.468 18.515 1.00 0.00 ? 6 ALA A O 20 ATOM 10794 C CB . ALA A 1 6 ? 8.131 5.729 16.773 1.00 0.00 ? 6 ALA A CB 20 ATOM 10795 H H . ALA A 1 6 ? 6.086 6.123 15.374 1.00 0.00 ? 6 ALA A H 20 ATOM 10796 H HA . ALA A 1 6 ? 7.459 3.732 16.265 1.00 0.00 ? 6 ALA A HA 20 ATOM 10797 H HB1 . ALA A 1 6 ? 7.721 6.728 17.048 1.00 0.00 ? 6 ALA A HB1 20 ATOM 10798 H HB2 . ALA A 1 6 ? 8.843 5.403 17.562 1.00 0.00 ? 6 ALA A HB2 20 ATOM 10799 H HB3 . ALA A 1 6 ? 8.714 5.859 15.837 1.00 0.00 ? 6 ALA A HB3 20 ATOM 10800 N N . LYS A 1 7 ? 5.421 5.504 18.180 1.00 0.00 ? 7 LYS A N 20 ATOM 10801 C CA . LYS A 1 7 ? 4.578 5.605 19.353 1.00 0.00 ? 7 LYS A CA 20 ATOM 10802 C C . LYS A 1 7 ? 3.176 5.207 18.941 1.00 0.00 ? 7 LYS A C 20 ATOM 10803 O O . LYS A 1 7 ? 2.882 5.024 17.762 1.00 0.00 ? 7 LYS A O 20 ATOM 10804 C CB . LYS A 1 7 ? 4.545 7.075 19.909 1.00 0.00 ? 7 LYS A CB 20 ATOM 10805 C CG . LYS A 1 7 ? 5.579 7.397 20.999 1.00 0.00 ? 7 LYS A CG 20 ATOM 10806 C CD . LYS A 1 7 ? 7.046 7.408 20.531 1.00 0.00 ? 7 LYS A CD 20 ATOM 10807 C CE . LYS A 1 7 ? 8.021 7.976 21.569 1.00 0.00 ? 7 LYS A CE 20 ATOM 10808 N NZ . LYS A 1 7 ? 7.970 7.182 22.821 1.00 0.00 ? 7 LYS A NZ 20 ATOM 10809 H H . LYS A 1 7 ? 5.321 6.278 17.567 1.00 0.00 ? 7 LYS A H 20 ATOM 10810 H HA . LYS A 1 7 ? 4.913 4.913 20.118 1.00 0.00 ? 7 LYS A HA 20 ATOM 10811 H HB2 . LYS A 1 7 ? 4.693 7.782 19.064 1.00 0.00 ? 7 LYS A HB2 20 ATOM 10812 H HB3 . LYS A 1 7 ? 3.572 7.349 20.380 1.00 0.00 ? 7 LYS A HB3 20 ATOM 10813 H HG2 . LYS A 1 7 ? 5.350 8.423 21.366 1.00 0.00 ? 7 LYS A HG2 20 ATOM 10814 H HG3 . LYS A 1 7 ? 5.424 6.685 21.840 1.00 0.00 ? 7 LYS A HG3 20 ATOM 10815 H HD2 . LYS A 1 7 ? 7.357 6.387 20.216 1.00 0.00 ? 7 LYS A HD2 20 ATOM 10816 H HD3 . LYS A 1 7 ? 7.123 8.069 19.635 1.00 0.00 ? 7 LYS A HD3 20 ATOM 10817 H HE2 . LYS A 1 7 ? 9.067 7.963 21.190 1.00 0.00 ? 7 LYS A HE2 20 ATOM 10818 H HE3 . LYS A 1 7 ? 7.733 9.023 21.806 1.00 0.00 ? 7 LYS A HE3 20 ATOM 10819 H HZ1 . LYS A 1 7 ? 6.977 6.963 23.038 1.00 0.00 ? 7 LYS A HZ1 20 ATOM 10820 H HZ2 . LYS A 1 7 ? 8.502 6.298 22.687 1.00 0.00 ? 7 LYS A HZ2 20 ATOM 10821 H HZ3 . LYS A 1 7 ? 8.383 7.723 23.606 1.00 0.00 ? 7 LYS A HZ3 20 ATOM 10822 N N . GLN A 1 8 ? 2.288 5.075 19.953 1.00 0.00 ? 8 GLN A N 20 ATOM 10823 C CA . GLN A 1 8 ? 0.942 4.544 19.812 1.00 0.00 ? 8 GLN A CA 20 ATOM 10824 C C . GLN A 1 8 ? -0.082 5.663 19.902 1.00 0.00 ? 8 GLN A C 20 ATOM 10825 O O . GLN A 1 8 ? -1.240 5.485 19.541 1.00 0.00 ? 8 GLN A O 20 ATOM 10826 C CB . GLN A 1 8 ? 0.698 3.442 20.895 1.00 0.00 ? 8 GLN A CB 20 ATOM 10827 C CG . GLN A 1 8 ? 0.887 1.986 20.400 1.00 0.00 ? 8 GLN A CG 20 ATOM 10828 C CD . GLN A 1 8 ? 2.156 1.749 19.554 1.00 0.00 ? 8 GLN A CD 20 ATOM 10829 O OE1 . GLN A 1 8 ? 2.074 1.825 18.329 1.00 0.00 ? 8 GLN A OE1 20 ATOM 10830 N NE2 . GLN A 1 8 ? 3.323 1.430 20.173 1.00 0.00 ? 8 GLN A NE2 20 ATOM 10831 H H . GLN A 1 8 ? 2.575 5.280 20.883 1.00 0.00 ? 8 GLN A H 20 ATOM 10832 H HA . GLN A 1 8 ? 0.798 4.085 18.840 1.00 0.00 ? 8 GLN A HA 20 ATOM 10833 H HB2 . GLN A 1 8 ? 1.383 3.629 21.752 1.00 0.00 ? 8 GLN A HB2 20 ATOM 10834 H HB3 . GLN A 1 8 ? -0.340 3.459 21.301 1.00 0.00 ? 8 GLN A HB3 20 ATOM 10835 H HG2 . GLN A 1 8 ? 0.848 1.285 21.262 1.00 0.00 ? 8 GLN A HG2 20 ATOM 10836 H HG3 . GLN A 1 8 ? 0.032 1.748 19.734 1.00 0.00 ? 8 GLN A HG3 20 ATOM 10837 H HE21 . GLN A 1 8 ? 3.375 1.349 21.166 1.00 0.00 ? 8 GLN A HE21 20 ATOM 10838 H HE22 . GLN A 1 8 ? 4.108 1.206 19.596 1.00 0.00 ? 8 GLN A HE22 20 ATOM 10839 N N . ALA A 1 9 ? 0.328 6.861 20.398 1.00 0.00 ? 9 ALA A N 20 ATOM 10840 C CA . ALA A 1 9 ? -0.473 8.065 20.464 1.00 0.00 ? 9 ALA A CA 20 ATOM 10841 C C . ALA A 1 9 ? -0.092 8.991 19.326 1.00 0.00 ? 9 ALA A C 20 ATOM 10842 O O . ALA A 1 9 ? 0.508 8.576 18.333 1.00 0.00 ? 9 ALA A O 20 ATOM 10843 C CB . ALA A 1 9 ? -0.318 8.748 21.843 1.00 0.00 ? 9 ALA A CB 20 ATOM 10844 H H . ALA A 1 9 ? 1.278 6.998 20.628 1.00 0.00 ? 9 ALA A H 20 ATOM 10845 H HA . ALA A 1 9 ? -1.521 7.814 20.340 1.00 0.00 ? 9 ALA A HA 20 ATOM 10846 H HB1 . ALA A 1 9 ? -0.593 8.014 22.634 1.00 0.00 ? 9 ALA A HB1 20 ATOM 10847 H HB2 . ALA A 1 9 ? 0.728 9.081 22.040 1.00 0.00 ? 9 ALA A HB2 20 ATOM 10848 H HB3 . ALA A 1 9 ? -1.005 9.614 21.972 1.00 0.00 ? 9 ALA A HB3 20 ATOM 10849 N N . SER A 1 10 ? -0.454 10.293 19.445 1.00 0.00 ? 10 SER A N 20 ATOM 10850 C CA . SER A 1 10 ? -0.319 11.244 18.347 1.00 0.00 ? 10 SER A CA 20 ATOM 10851 C C . SER A 1 10 ? 0.293 12.534 18.815 1.00 0.00 ? 10 SER A C 20 ATOM 10852 O O . SER A 1 10 ? 0.059 13.590 18.236 1.00 0.00 ? 10 SER A O 20 ATOM 10853 C CB . SER A 1 10 ? -1.670 11.505 17.614 1.00 0.00 ? 10 SER A CB 20 ATOM 10854 O OG . SER A 1 10 ? -2.130 10.303 17.002 1.00 0.00 ? 10 SER A OG 20 ATOM 10855 H H . SER A 1 10 ? -0.972 10.581 20.246 1.00 0.00 ? 10 SER A H 20 ATOM 10856 H HA . SER A 1 10 ? 0.408 10.882 17.634 1.00 0.00 ? 10 SER A HA 20 ATOM 10857 H HB2 . SER A 1 10 ? -2.447 11.852 18.334 1.00 0.00 ? 10 SER A HB2 20 ATOM 10858 H HB3 . SER A 1 10 ? -1.581 12.276 16.814 1.00 0.00 ? 10 SER A HB3 20 ATOM 10859 H HG . SER A 1 10 ? -1.356 9.887 16.611 1.00 0.00 ? 10 SER A HG 20 ATOM 10860 N N . GLN A 1 11 ? 1.199 12.432 19.826 1.00 0.00 ? 11 GLN A N 20 ATOM 10861 C CA . GLN A 1 11 ? 2.016 13.503 20.408 1.00 0.00 ? 11 GLN A CA 20 ATOM 10862 C C . GLN A 1 11 ? 3.242 13.744 19.552 1.00 0.00 ? 11 GLN A C 20 ATOM 10863 O O . GLN A 1 11 ? 3.796 14.826 19.398 1.00 0.00 ? 11 GLN A O 20 ATOM 10864 C CB . GLN A 1 11 ? 2.509 13.085 21.827 1.00 0.00 ? 11 GLN A CB 20 ATOM 10865 C CG . GLN A 1 11 ? 3.268 11.725 21.928 1.00 0.00 ? 11 GLN A CG 20 ATOM 10866 C CD . GLN A 1 11 ? 3.703 11.432 23.356 1.00 0.00 ? 11 GLN A CD 20 ATOM 10867 O OE1 . GLN A 1 11 ? 3.184 10.482 23.936 1.00 0.00 ? 11 GLN A OE1 20 ATOM 10868 N NE2 . GLN A 1 11 ? 4.658 12.204 23.937 1.00 0.00 ? 11 GLN A NE2 20 ATOM 10869 H H . GLN A 1 11 ? 1.289 11.551 20.279 1.00 0.00 ? 11 GLN A H 20 ATOM 10870 H HA . GLN A 1 11 ? 1.450 14.423 20.452 1.00 0.00 ? 11 GLN A HA 20 ATOM 10871 H HB2 . GLN A 1 11 ? 3.118 13.902 22.271 1.00 0.00 ? 11 GLN A HB2 20 ATOM 10872 H HB3 . GLN A 1 11 ? 1.595 12.988 22.447 1.00 0.00 ? 11 GLN A HB3 20 ATOM 10873 H HG2 . GLN A 1 11 ? 2.612 10.888 21.618 1.00 0.00 ? 11 GLN A HG2 20 ATOM 10874 H HG3 . GLN A 1 11 ? 4.191 11.695 21.315 1.00 0.00 ? 11 GLN A HG3 20 ATOM 10875 H HE21 . GLN A 1 11 ? 5.151 12.876 23.380 1.00 0.00 ? 11 GLN A HE21 20 ATOM 10876 H HE22 . GLN A 1 11 ? 4.849 12.101 24.917 1.00 0.00 ? 11 GLN A HE22 20 ATOM 10877 N N . ASP A 1 12 ? 3.620 12.625 18.910 1.00 0.00 ? 12 ASP A N 20 ATOM 10878 C CA . ASP A 1 12 ? 4.819 12.287 18.180 1.00 0.00 ? 12 ASP A CA 20 ATOM 10879 C C . ASP A 1 12 ? 4.558 12.620 16.725 1.00 0.00 ? 12 ASP A C 20 ATOM 10880 O O . ASP A 1 12 ? 5.460 12.807 15.921 1.00 0.00 ? 12 ASP A O 20 ATOM 10881 C CB . ASP A 1 12 ? 5.046 10.763 18.444 1.00 0.00 ? 12 ASP A CB 20 ATOM 10882 C CG . ASP A 1 12 ? 6.378 10.218 17.963 1.00 0.00 ? 12 ASP A CG 20 ATOM 10883 O OD1 . ASP A 1 12 ? 7.384 10.595 18.624 1.00 0.00 ? 12 ASP A OD1 20 ATOM 10884 O OD2 . ASP A 1 12 ? 6.382 9.363 17.026 1.00 0.00 ? 12 ASP A OD2 20 ATOM 10885 H H . ASP A 1 12 ? 3.025 11.849 19.061 1.00 0.00 ? 12 ASP A H 20 ATOM 10886 H HA . ASP A 1 12 ? 5.661 12.877 18.533 1.00 0.00 ? 12 ASP A HA 20 ATOM 10887 H HB2 . ASP A 1 12 ? 5.095 10.678 19.550 1.00 0.00 ? 12 ASP A HB2 20 ATOM 10888 H HB3 . ASP A 1 12 ? 4.197 10.140 18.098 1.00 0.00 ? 12 ASP A HB3 20 ATOM 10889 N N . ALA A 1 13 ? 3.246 12.787 16.395 1.00 0.00 ? 13 ALA A N 20 ATOM 10890 C CA . ALA A 1 13 ? 2.700 13.109 15.088 1.00 0.00 ? 13 ALA A CA 20 ATOM 10891 C C . ALA A 1 13 ? 2.651 14.607 14.892 1.00 0.00 ? 13 ALA A C 20 ATOM 10892 O O . ALA A 1 13 ? 2.810 15.093 13.778 1.00 0.00 ? 13 ALA A O 20 ATOM 10893 C CB . ALA A 1 13 ? 1.261 12.549 14.947 1.00 0.00 ? 13 ALA A CB 20 ATOM 10894 H H . ALA A 1 13 ? 2.594 12.769 17.150 1.00 0.00 ? 13 ALA A H 20 ATOM 10895 H HA . ALA A 1 13 ? 3.331 12.701 14.309 1.00 0.00 ? 13 ALA A HA 20 ATOM 10896 H HB1 . ALA A 1 13 ? 0.596 12.903 15.766 1.00 0.00 ? 13 ALA A HB1 20 ATOM 10897 H HB2 . ALA A 1 13 ? 0.783 12.824 13.979 1.00 0.00 ? 13 ALA A HB2 20 ATOM 10898 H HB3 . ALA A 1 13 ? 1.288 11.443 14.994 1.00 0.00 ? 13 ALA A HB3 20 ATOM 10899 N N . GLU A 1 14 ? 2.448 15.349 16.014 1.00 0.00 ? 14 GLU A N 20 ATOM 10900 C CA . GLU A 1 14 ? 2.350 16.791 16.113 1.00 0.00 ? 14 GLU A CA 20 ATOM 10901 C C . GLU A 1 14 ? 3.745 17.382 16.206 1.00 0.00 ? 14 GLU A C 20 ATOM 10902 O O . GLU A 1 14 ? 4.075 18.373 15.556 1.00 0.00 ? 14 GLU A O 20 ATOM 10903 C CB . GLU A 1 14 ? 1.502 17.190 17.374 1.00 0.00 ? 14 GLU A CB 20 ATOM 10904 C CG . GLU A 1 14 ? 0.201 17.959 17.057 1.00 0.00 ? 14 GLU A CG 20 ATOM 10905 C CD . GLU A 1 14 ? -0.061 19.081 18.065 1.00 0.00 ? 14 GLU A CD 20 ATOM 10906 O OE1 . GLU A 1 14 ? 0.677 20.104 17.969 1.00 0.00 ? 14 GLU A OE1 20 ATOM 10907 O OE2 . GLU A 1 14 ? -0.986 18.969 18.908 1.00 0.00 ? 14 GLU A OE2 20 ATOM 10908 H H . GLU A 1 14 ? 2.376 14.874 16.889 1.00 0.00 ? 14 GLU A H 20 ATOM 10909 H HA . GLU A 1 14 ? 1.892 17.180 15.210 1.00 0.00 ? 14 GLU A HA 20 ATOM 10910 H HB2 . GLU A 1 14 ? 1.147 16.252 17.854 1.00 0.00 ? 14 GLU A HB2 20 ATOM 10911 H HB3 . GLU A 1 14 ? 2.085 17.722 18.169 1.00 0.00 ? 14 GLU A HB3 20 ATOM 10912 H HG2 . GLU A 1 14 ? 0.267 18.430 16.053 1.00 0.00 ? 14 GLU A HG2 20 ATOM 10913 H HG3 . GLU A 1 14 ? -0.657 17.250 17.062 1.00 0.00 ? 14 GLU A HG3 20 ATOM 10914 N N . GLN A 1 15 ? 4.626 16.725 17.012 1.00 0.00 ? 15 GLN A N 20 ATOM 10915 C CA . GLN A 1 15 ? 5.931 17.264 17.379 1.00 0.00 ? 15 GLN A CA 20 ATOM 10916 C C . GLN A 1 15 ? 7.061 16.924 16.403 1.00 0.00 ? 15 GLN A C 20 ATOM 10917 O O . GLN A 1 15 ? 8.194 17.371 16.572 1.00 0.00 ? 15 GLN A O 20 ATOM 10918 C CB . GLN A 1 15 ? 6.294 16.873 18.839 1.00 0.00 ? 15 GLN A CB 20 ATOM 10919 C CG . GLN A 1 15 ? 7.018 17.981 19.628 1.00 0.00 ? 15 GLN A CG 20 ATOM 10920 C CD . GLN A 1 15 ? 6.078 19.155 19.920 1.00 0.00 ? 15 GLN A CD 20 ATOM 10921 O OE1 . GLN A 1 15 ? 4.994 19.045 20.482 1.00 0.00 ? 15 GLN A OE1 20 ATOM 10922 N NE2 . GLN A 1 15 ? 6.498 20.357 19.479 1.00 0.00 ? 15 GLN A NE2 20 ATOM 10923 H H . GLN A 1 15 ? 4.346 15.897 17.509 1.00 0.00 ? 15 GLN A H 20 ATOM 10924 H HA . GLN A 1 15 ? 5.854 18.342 17.376 1.00 0.00 ? 15 GLN A HA 20 ATOM 10925 H HB2 . GLN A 1 15 ? 5.364 16.665 19.408 1.00 0.00 ? 15 GLN A HB2 20 ATOM 10926 H HB3 . GLN A 1 15 ? 6.901 15.943 18.883 1.00 0.00 ? 15 GLN A HB3 20 ATOM 10927 H HG2 . GLN A 1 15 ? 7.369 17.578 20.602 1.00 0.00 ? 15 GLN A HG2 20 ATOM 10928 H HG3 . GLN A 1 15 ? 7.900 18.304 19.032 1.00 0.00 ? 15 GLN A HG3 20 ATOM 10929 H HE21 . GLN A 1 15 ? 7.440 20.465 19.147 1.00 0.00 ? 15 GLN A HE21 20 ATOM 10930 H HE22 . GLN A 1 15 ? 5.938 21.147 19.724 1.00 0.00 ? 15 GLN A HE22 20 ATOM 10931 N N . ALA A 1 16 ? 6.746 16.150 15.334 1.00 0.00 ? 16 ALA A N 20 ATOM 10932 C CA . ALA A 1 16 ? 7.622 15.812 14.219 1.00 0.00 ? 16 ALA A CA 20 ATOM 10933 C C . ALA A 1 16 ? 7.534 16.796 13.060 1.00 0.00 ? 16 ALA A C 20 ATOM 10934 O O . ALA A 1 16 ? 8.345 16.764 12.146 1.00 0.00 ? 16 ALA A O 20 ATOM 10935 C CB . ALA A 1 16 ? 7.355 14.381 13.679 1.00 0.00 ? 16 ALA A CB 20 ATOM 10936 H H . ALA A 1 16 ? 5.830 15.770 15.278 1.00 0.00 ? 16 ALA A H 20 ATOM 10937 H HA . ALA A 1 16 ? 8.645 15.821 14.573 1.00 0.00 ? 16 ALA A HA 20 ATOM 10938 H HB1 . ALA A 1 16 ? 7.396 13.651 14.515 1.00 0.00 ? 16 ALA A HB1 20 ATOM 10939 H HB2 . ALA A 1 16 ? 6.363 14.290 13.184 1.00 0.00 ? 16 ALA A HB2 20 ATOM 10940 H HB3 . ALA A 1 16 ? 8.141 14.077 12.949 1.00 0.00 ? 16 ALA A HB3 20 ATOM 10941 N N . ALA A 1 17 ? 6.531 17.714 13.050 1.00 0.00 ? 17 ALA A N 20 ATOM 10942 C CA . ALA A 1 17 ? 6.390 18.750 12.026 1.00 0.00 ? 17 ALA A CA 20 ATOM 10943 C C . ALA A 1 17 ? 7.119 20.028 12.416 1.00 0.00 ? 17 ALA A C 20 ATOM 10944 O O . ALA A 1 17 ? 7.548 20.834 11.594 1.00 0.00 ? 17 ALA A O 20 ATOM 10945 C CB . ALA A 1 17 ? 4.899 19.078 11.779 1.00 0.00 ? 17 ALA A CB 20 ATOM 10946 H H . ALA A 1 17 ? 5.813 17.671 13.739 1.00 0.00 ? 17 ALA A H 20 ATOM 10947 H HA . ALA A 1 17 ? 6.804 18.402 11.090 1.00 0.00 ? 17 ALA A HA 20 ATOM 10948 H HB1 . ALA A 1 17 ? 4.376 18.147 11.473 1.00 0.00 ? 17 ALA A HB1 20 ATOM 10949 H HB2 . ALA A 1 17 ? 4.403 19.449 12.704 1.00 0.00 ? 17 ALA A HB2 20 ATOM 10950 H HB3 . ALA A 1 17 ? 4.760 19.827 10.966 1.00 0.00 ? 17 ALA A HB3 20 ATOM 10951 N N . LYS A 1 18 ? 7.195 20.226 13.757 1.00 0.00 ? 18 LYS A N 20 ATOM 10952 C CA . LYS A 1 18 ? 7.759 21.358 14.481 1.00 0.00 ? 18 LYS A CA 20 ATOM 10953 C C . LYS A 1 18 ? 9.224 21.178 14.819 1.00 0.00 ? 18 LYS A C 20 ATOM 10954 O O . LYS A 1 18 ? 9.862 22.128 15.253 1.00 0.00 ? 18 LYS A O 20 ATOM 10955 C CB . LYS A 1 18 ? 6.952 21.657 15.784 1.00 0.00 ? 18 LYS A CB 20 ATOM 10956 C CG . LYS A 1 18 ? 5.431 21.849 15.560 1.00 0.00 ? 18 LYS A CG 20 ATOM 10957 C CD . LYS A 1 18 ? 4.620 21.575 16.839 1.00 0.00 ? 18 LYS A CD 20 ATOM 10958 C CE . LYS A 1 18 ? 3.134 21.174 16.658 1.00 0.00 ? 18 LYS A CE 20 ATOM 10959 N NZ . LYS A 1 18 ? 2.064 22.110 17.120 1.00 0.00 ? 18 LYS A NZ 20 ATOM 10960 H H . LYS A 1 18 ? 6.793 19.518 14.329 1.00 0.00 ? 18 LYS A H 20 ATOM 10961 H HA . LYS A 1 18 ? 7.719 22.249 13.865 1.00 0.00 ? 18 LYS A HA 20 ATOM 10962 H HB2 . LYS A 1 18 ? 7.098 20.799 16.483 1.00 0.00 ? 18 LYS A HB2 20 ATOM 10963 H HB3 . LYS A 1 18 ? 7.345 22.576 16.290 1.00 0.00 ? 18 LYS A HB3 20 ATOM 10964 H HG2 . LYS A 1 18 ? 5.250 22.867 15.152 1.00 0.00 ? 18 LYS A HG2 20 ATOM 10965 H HG3 . LYS A 1 18 ? 5.078 21.113 14.810 1.00 0.00 ? 18 LYS A HG3 20 ATOM 10966 H HD2 . LYS A 1 18 ? 5.050 20.612 17.200 1.00 0.00 ? 18 LYS A HD2 20 ATOM 10967 H HD3 . LYS A 1 18 ? 4.859 22.316 17.632 1.00 0.00 ? 18 LYS A HD3 20 ATOM 10968 H HE2 . LYS A 1 18 ? 2.893 20.863 15.617 1.00 0.00 ? 18 LYS A HE2 20 ATOM 10969 H HE3 . LYS A 1 18 ? 2.997 20.280 17.305 1.00 0.00 ? 18 LYS A HE3 20 ATOM 10970 H HZ1 . LYS A 1 18 ? 2.282 22.623 17.993 1.00 0.00 ? 18 LYS A HZ1 20 ATOM 10971 H HZ2 . LYS A 1 18 ? 1.758 22.765 16.372 1.00 0.00 ? 18 LYS A HZ2 20 ATOM 10972 H HZ3 . LYS A 1 18 ? 1.271 21.416 17.375 1.00 0.00 ? 18 LYS A HZ3 20 ATOM 10973 N N . ASP A 1 19 ? 9.782 19.959 14.630 1.00 0.00 ? 19 ASP A N 20 ATOM 10974 C CA . ASP A 1 19 ? 11.131 19.413 14.874 1.00 0.00 ? 19 ASP A CA 20 ATOM 10975 C C . ASP A 1 19 ? 12.379 20.274 14.735 1.00 0.00 ? 19 ASP A C 20 ATOM 10976 O O . ASP A 1 19 ? 13.376 20.048 15.418 1.00 0.00 ? 19 ASP A O 20 ATOM 10977 C CB . ASP A 1 19 ? 11.340 18.027 14.162 1.00 0.00 ? 19 ASP A CB 20 ATOM 10978 C CG . ASP A 1 19 ? 11.380 18.068 12.610 1.00 0.00 ? 19 ASP A CG 20 ATOM 10979 O OD1 . ASP A 1 19 ? 11.292 19.197 12.057 1.00 0.00 ? 19 ASP A OD1 20 ATOM 10980 O OD2 . ASP A 1 19 ? 11.512 16.987 11.978 1.00 0.00 ? 19 ASP A OD2 20 ATOM 10981 H H . ASP A 1 19 ? 9.151 19.260 14.328 1.00 0.00 ? 19 ASP A H 20 ATOM 10982 H HA . ASP A 1 19 ? 11.146 19.212 15.932 1.00 0.00 ? 19 ASP A HA 20 ATOM 10983 H HB2 . ASP A 1 19 ? 12.266 17.532 14.529 1.00 0.00 ? 19 ASP A HB2 20 ATOM 10984 H HB3 . ASP A 1 19 ? 10.490 17.373 14.446 1.00 0.00 ? 19 ASP A HB3 20 ATOM 10985 N N . ALA A 1 20 ? 12.323 21.333 13.900 1.00 0.00 ? 20 ALA A N 20 ATOM 10986 C CA . ALA A 1 20 ? 13.372 22.324 13.694 1.00 0.00 ? 20 ALA A CA 20 ATOM 10987 C C . ALA A 1 20 ? 13.302 23.415 14.754 1.00 0.00 ? 20 ALA A C 20 ATOM 10988 O O . ALA A 1 20 ? 14.322 23.927 15.202 1.00 0.00 ? 20 ALA A O 20 ATOM 10989 C CB . ALA A 1 20 ? 13.314 22.983 12.289 1.00 0.00 ? 20 ALA A CB 20 ATOM 10990 H H . ALA A 1 20 ? 11.490 21.427 13.359 1.00 0.00 ? 20 ALA A H 20 ATOM 10991 H HA . ALA A 1 20 ? 14.333 21.842 13.785 1.00 0.00 ? 20 ALA A HA 20 ATOM 10992 H HB1 . ALA A 1 20 ? 13.400 22.196 11.506 1.00 0.00 ? 20 ALA A HB1 20 ATOM 10993 H HB2 . ALA A 1 20 ? 12.364 23.540 12.113 1.00 0.00 ? 20 ALA A HB2 20 ATOM 10994 H HB3 . ALA A 1 20 ? 14.163 23.690 12.145 1.00 0.00 ? 20 ALA A HB3 20 ATOM 10995 N N . GLU A 1 21 ? 12.058 23.744 15.207 1.00 0.00 ? 21 GLU A N 20 ATOM 10996 C CA . GLU A 1 21 ? 11.761 24.686 16.268 1.00 0.00 ? 21 GLU A CA 20 ATOM 10997 C C . GLU A 1 21 ? 11.736 23.959 17.602 1.00 0.00 ? 21 GLU A C 20 ATOM 10998 O O . GLU A 1 21 ? 11.795 24.582 18.664 1.00 0.00 ? 21 GLU A O 20 ATOM 10999 C CB . GLU A 1 21 ? 10.391 25.408 16.091 1.00 0.00 ? 21 GLU A CB 20 ATOM 11000 C CG . GLU A 1 21 ? 10.157 26.200 14.784 1.00 0.00 ? 21 GLU A CG 20 ATOM 11001 C CD . GLU A 1 21 ? 8.758 26.814 14.920 1.00 0.00 ? 21 GLU A CD 20 ATOM 11002 O OE1 . GLU A 1 21 ? 7.847 25.963 15.073 1.00 0.00 ? 21 GLU A OE1 20 ATOM 11003 O OE2 . GLU A 1 21 ? 8.583 28.057 14.974 1.00 0.00 ? 21 GLU A OE2 20 ATOM 11004 H H . GLU A 1 21 ? 11.246 23.219 14.879 1.00 0.00 ? 21 GLU A H 20 ATOM 11005 H HA . GLU A 1 21 ? 12.533 25.442 16.303 1.00 0.00 ? 21 GLU A HA 20 ATOM 11006 H HB2 . GLU A 1 21 ? 9.569 24.653 16.138 1.00 0.00 ? 21 GLU A HB2 20 ATOM 11007 H HB3 . GLU A 1 21 ? 10.237 26.136 16.921 1.00 0.00 ? 21 GLU A HB3 20 ATOM 11008 H HG2 . GLU A 1 21 ? 10.911 27.005 14.654 1.00 0.00 ? 21 GLU A HG2 20 ATOM 11009 H HG3 . GLU A 1 21 ? 10.183 25.541 13.893 1.00 0.00 ? 21 GLU A HG3 20 ATOM 11010 N N . ASN A 1 22 ? 11.685 22.584 17.597 1.00 0.00 ? 22 ASN A N 20 ATOM 11011 C CA . ASN A 1 22 ? 11.582 21.725 18.793 1.00 0.00 ? 22 ASN A CA 20 ATOM 11012 C C . ASN A 1 22 ? 12.769 21.781 19.750 1.00 0.00 ? 22 ASN A C 20 ATOM 11013 O O . ASN A 1 22 ? 12.672 21.441 20.924 1.00 0.00 ? 22 ASN A O 20 ATOM 11014 C CB . ASN A 1 22 ? 11.321 20.231 18.430 1.00 0.00 ? 22 ASN A CB 20 ATOM 11015 C CG . ASN A 1 22 ? 10.419 19.525 19.447 1.00 0.00 ? 22 ASN A CG 20 ATOM 11016 O OD1 . ASN A 1 22 ? 9.596 20.159 20.105 1.00 0.00 ? 22 ASN A OD1 20 ATOM 11017 N ND2 . ASN A 1 22 ? 10.418 18.175 19.490 1.00 0.00 ? 22 ASN A ND2 20 ATOM 11018 H H . ASN A 1 22 ? 11.544 22.133 16.714 1.00 0.00 ? 22 ASN A H 20 ATOM 11019 H HA . ASN A 1 22 ? 10.722 22.082 19.334 1.00 0.00 ? 22 ASN A HA 20 ATOM 11020 H HB2 . ASN A 1 22 ? 10.683 20.253 17.530 1.00 0.00 ? 22 ASN A HB2 20 ATOM 11021 H HB3 . ASN A 1 22 ? 12.241 19.650 18.180 1.00 0.00 ? 22 ASN A HB3 20 ATOM 11022 H HD21 . ASN A 1 22 ? 10.597 17.649 18.654 1.00 0.00 ? 22 ASN A HD21 20 ATOM 11023 H HD22 . ASN A 1 22 ? 9.897 17.757 20.233 1.00 0.00 ? 22 ASN A HD22 20 ATOM 11024 N N . ALA A 1 23 ? 13.913 22.282 19.233 1.00 0.00 ? 23 ALA A N 20 ATOM 11025 C CA . ALA A 1 23 ? 15.131 22.560 19.995 1.00 0.00 ? 23 ALA A CA 20 ATOM 11026 C C . ALA A 1 23 ? 15.071 23.711 21.004 1.00 0.00 ? 23 ALA A C 20 ATOM 11027 O O . ALA A 1 23 ? 15.703 23.630 22.049 1.00 0.00 ? 23 ALA A O 20 ATOM 11028 C CB . ALA A 1 23 ? 16.336 22.798 19.052 1.00 0.00 ? 23 ALA A CB 20 ATOM 11029 H H . ALA A 1 23 ? 13.912 22.397 18.233 1.00 0.00 ? 23 ALA A H 20 ATOM 11030 H HA . ALA A 1 23 ? 15.348 21.676 20.585 1.00 0.00 ? 23 ALA A HA 20 ATOM 11031 H HB1 . ALA A 1 23 ? 16.349 21.993 18.291 1.00 0.00 ? 23 ALA A HB1 20 ATOM 11032 H HB2 . ALA A 1 23 ? 16.266 23.774 18.524 1.00 0.00 ? 23 ALA A HB2 20 ATOM 11033 H HB3 . ALA A 1 23 ? 17.302 22.755 19.607 1.00 0.00 ? 23 ALA A HB3 20 ATOM 11034 N N . SER A 1 24 ? 14.343 24.830 20.706 1.00 0.00 ? 24 SER A N 20 ATOM 11035 C CA . SER A 1 24 ? 14.135 25.928 21.673 1.00 0.00 ? 24 SER A CA 20 ATOM 11036 C C . SER A 1 24 ? 12.896 25.760 22.507 1.00 0.00 ? 24 SER A C 20 ATOM 11037 O O . SER A 1 24 ? 12.885 26.177 23.665 1.00 0.00 ? 24 SER A O 20 ATOM 11038 C CB . SER A 1 24 ? 14.241 27.403 21.121 1.00 0.00 ? 24 SER A CB 20 ATOM 11039 O OG . SER A 1 24 ? 15.374 28.098 21.665 1.00 0.00 ? 24 SER A OG 20 ATOM 11040 H H . SER A 1 24 ? 13.867 24.862 19.822 1.00 0.00 ? 24 SER A H 20 ATOM 11041 H HA . SER A 1 24 ? 14.892 25.806 22.442 1.00 0.00 ? 24 SER A HA 20 ATOM 11042 H HB2 . SER A 1 24 ? 14.359 27.373 20.019 1.00 0.00 ? 24 SER A HB2 20 ATOM 11043 H HB3 . SER A 1 24 ? 13.344 28.037 21.318 1.00 0.00 ? 24 SER A HB3 20 ATOM 11044 H HG . SER A 1 24 ? 15.310 28.054 22.625 1.00 0.00 ? 24 SER A HG 20 ATOM 11045 N N . LYS A 1 25 ? 11.838 25.084 21.963 1.00 0.00 ? 25 LYS A N 20 ATOM 11046 C CA . LYS A 1 25 ? 10.592 24.672 22.585 1.00 0.00 ? 25 LYS A CA 20 ATOM 11047 C C . LYS A 1 25 ? 10.649 23.904 23.904 1.00 0.00 ? 25 LYS A C 20 ATOM 11048 O O . LYS A 1 25 ? 9.742 23.984 24.734 1.00 0.00 ? 25 LYS A O 20 ATOM 11049 C CB . LYS A 1 25 ? 9.810 23.821 21.535 1.00 0.00 ? 25 LYS A CB 20 ATOM 11050 C CG . LYS A 1 25 ? 8.700 24.599 20.846 1.00 0.00 ? 25 LYS A CG 20 ATOM 11051 C CD . LYS A 1 25 ? 7.578 24.946 21.828 1.00 0.00 ? 25 LYS A CD 20 ATOM 11052 C CE . LYS A 1 25 ? 6.615 26.070 21.378 1.00 0.00 ? 25 LYS A CE 20 ATOM 11053 N NZ . LYS A 1 25 ? 7.331 27.351 21.106 1.00 0.00 ? 25 LYS A NZ 20 ATOM 11054 H H . LYS A 1 25 ? 11.766 24.860 20.993 1.00 0.00 ? 25 LYS A H 20 ATOM 11055 H HA . LYS A 1 25 ? 10.057 25.579 22.801 1.00 0.00 ? 25 LYS A HA 20 ATOM 11056 H HB2 . LYS A 1 25 ? 10.513 23.540 20.730 1.00 0.00 ? 25 LYS A HB2 20 ATOM 11057 H HB3 . LYS A 1 25 ? 9.392 22.859 21.913 1.00 0.00 ? 25 LYS A HB3 20 ATOM 11058 H HG2 . LYS A 1 25 ? 9.146 25.504 20.393 1.00 0.00 ? 25 LYS A HG2 20 ATOM 11059 H HG3 . LYS A 1 25 ? 8.282 23.971 20.031 1.00 0.00 ? 25 LYS A HG3 20 ATOM 11060 H HD2 . LYS A 1 25 ? 7.115 23.949 21.926 1.00 0.00 ? 25 LYS A HD2 20 ATOM 11061 H HD3 . LYS A 1 25 ? 7.999 25.181 22.821 1.00 0.00 ? 25 LYS A HD3 20 ATOM 11062 H HE2 . LYS A 1 25 ? 6.105 25.797 20.438 1.00 0.00 ? 25 LYS A HE2 20 ATOM 11063 H HE3 . LYS A 1 25 ? 5.847 26.272 22.156 1.00 0.00 ? 25 LYS A HE3 20 ATOM 11064 H HZ1 . LYS A 1 25 ? 8.335 27.138 20.922 1.00 0.00 ? 25 LYS A HZ1 20 ATOM 11065 H HZ2 . LYS A 1 25 ? 6.952 27.935 20.351 1.00 0.00 ? 25 LYS A HZ2 20 ATOM 11066 H HZ3 . LYS A 1 25 ? 7.408 28.011 21.960 1.00 0.00 ? 25 LYS A HZ3 20 ATOM 11067 N N . GLU A 1 26 ? 11.787 23.211 24.135 1.00 0.00 ? 26 GLU A N 20 ATOM 11068 C CA . GLU A 1 26 ? 12.072 22.223 25.158 1.00 0.00 ? 26 GLU A CA 20 ATOM 11069 C C . GLU A 1 26 ? 12.187 22.801 26.567 1.00 0.00 ? 26 GLU A C 20 ATOM 11070 O O . GLU A 1 26 ? 12.160 22.102 27.578 1.00 0.00 ? 26 GLU A O 20 ATOM 11071 C CB . GLU A 1 26 ? 13.362 21.449 24.756 1.00 0.00 ? 26 GLU A CB 20 ATOM 11072 C CG . GLU A 1 26 ? 13.289 19.970 25.132 1.00 0.00 ? 26 GLU A CG 20 ATOM 11073 C CD . GLU A 1 26 ? 14.608 19.227 24.923 1.00 0.00 ? 26 GLU A CD 20 ATOM 11074 O OE1 . GLU A 1 26 ? 15.520 19.793 24.263 1.00 0.00 ? 26 GLU A OE1 20 ATOM 11075 O OE2 . GLU A 1 26 ? 14.721 18.078 25.429 1.00 0.00 ? 26 GLU A OE2 20 ATOM 11076 H H . GLU A 1 26 ? 12.515 23.300 23.469 1.00 0.00 ? 26 GLU A H 20 ATOM 11077 H HA . GLU A 1 26 ? 11.248 21.527 25.177 1.00 0.00 ? 26 GLU A HA 20 ATOM 11078 H HB2 . GLU A 1 26 ? 13.438 21.446 23.651 1.00 0.00 ? 26 GLU A HB2 20 ATOM 11079 H HB3 . GLU A 1 26 ? 14.297 21.917 25.139 1.00 0.00 ? 26 GLU A HB3 20 ATOM 11080 H HG2 . GLU A 1 26 ? 13.024 19.918 26.203 1.00 0.00 ? 26 GLU A HG2 20 ATOM 11081 H HG3 . GLU A 1 26 ? 12.486 19.527 24.504 1.00 0.00 ? 26 GLU A HG3 20 ATOM 11082 N N . ALA A 1 27 ? 12.248 24.158 26.631 1.00 0.00 ? 27 ALA A N 20 ATOM 11083 C CA . ALA A 1 27 ? 12.132 24.990 27.821 1.00 0.00 ? 27 ALA A CA 20 ATOM 11084 C C . ALA A 1 27 ? 10.685 25.389 28.083 1.00 0.00 ? 27 ALA A C 20 ATOM 11085 O O . ALA A 1 27 ? 10.191 25.239 29.201 1.00 0.00 ? 27 ALA A O 20 ATOM 11086 C CB . ALA A 1 27 ? 13.009 26.257 27.680 1.00 0.00 ? 27 ALA A CB 20 ATOM 11087 H H . ALA A 1 27 ? 12.307 24.636 25.751 1.00 0.00 ? 27 ALA A H 20 ATOM 11088 H HA . ALA A 1 27 ? 12.478 24.427 28.682 1.00 0.00 ? 27 ALA A HA 20 ATOM 11089 H HB1 . ALA A 1 27 ? 12.736 26.824 26.760 1.00 0.00 ? 27 ALA A HB1 20 ATOM 11090 H HB2 . ALA A 1 27 ? 12.939 26.935 28.562 1.00 0.00 ? 27 ALA A HB2 20 ATOM 11091 H HB3 . ALA A 1 27 ? 14.067 25.938 27.584 1.00 0.00 ? 27 ALA A HB3 20 ATOM 11092 N N . GLU A 1 28 ? 9.971 25.834 26.990 1.00 0.00 ? 28 GLU A N 20 ATOM 11093 C CA . GLU A 1 28 ? 8.591 26.311 26.868 1.00 0.00 ? 28 GLU A CA 20 ATOM 11094 C C . GLU A 1 28 ? 7.563 25.226 27.159 1.00 0.00 ? 28 GLU A C 20 ATOM 11095 O O . GLU A 1 28 ? 6.425 25.551 27.476 1.00 0.00 ? 28 GLU A O 20 ATOM 11096 C CB . GLU A 1 28 ? 8.227 26.870 25.429 1.00 0.00 ? 28 GLU A CB 20 ATOM 11097 C CG . GLU A 1 28 ? 8.815 28.242 24.982 1.00 0.00 ? 28 GLU A CG 20 ATOM 11098 C CD . GLU A 1 28 ? 8.525 28.440 23.504 1.00 0.00 ? 28 GLU A CD 20 ATOM 11099 O OE1 . GLU A 1 28 ? 9.311 27.841 22.725 1.00 0.00 ? 28 GLU A OE1 20 ATOM 11100 O OE2 . GLU A 1 28 ? 7.492 29.040 23.072 1.00 0.00 ? 28 GLU A OE2 20 ATOM 11101 H H . GLU A 1 28 ? 10.423 25.798 26.104 1.00 0.00 ? 28 GLU A H 20 ATOM 11102 H HA . GLU A 1 28 ? 8.439 27.102 27.592 1.00 0.00 ? 28 GLU A HA 20 ATOM 11103 H HB2 . GLU A 1 28 ? 8.538 26.107 24.678 1.00 0.00 ? 28 GLU A HB2 20 ATOM 11104 H HB3 . GLU A 1 28 ? 7.125 27.007 25.321 1.00 0.00 ? 28 GLU A HB3 20 ATOM 11105 H HG2 . GLU A 1 28 ? 8.422 29.097 25.575 1.00 0.00 ? 28 GLU A HG2 20 ATOM 11106 H HG3 . GLU A 1 28 ? 9.924 28.236 25.040 1.00 0.00 ? 28 GLU A HG3 20 ATOM 11107 N N . GLU A 1 29 ? 7.951 23.909 27.109 1.00 0.00 ? 29 GLU A N 20 ATOM 11108 C CA . GLU A 1 29 ? 7.173 22.737 27.541 1.00 0.00 ? 29 GLU A CA 20 ATOM 11109 C C . GLU A 1 29 ? 6.752 22.783 28.995 1.00 0.00 ? 29 GLU A C 20 ATOM 11110 O O . GLU A 1 29 ? 5.562 22.867 29.297 1.00 0.00 ? 29 GLU A O 20 ATOM 11111 C CB . GLU A 1 29 ? 7.895 21.356 27.289 1.00 0.00 ? 29 GLU A CB 20 ATOM 11112 C CG . GLU A 1 29 ? 7.370 20.561 26.080 1.00 0.00 ? 29 GLU A CG 20 ATOM 11113 C CD . GLU A 1 29 ? 8.222 20.856 24.861 1.00 0.00 ? 29 GLU A CD 20 ATOM 11114 O OE1 . GLU A 1 29 ? 9.313 20.245 24.773 1.00 0.00 ? 29 GLU A OE1 20 ATOM 11115 O OE2 . GLU A 1 29 ? 7.791 21.658 23.999 1.00 0.00 ? 29 GLU A OE2 20 ATOM 11116 H H . GLU A 1 29 ? 8.828 23.698 26.670 1.00 0.00 ? 29 GLU A H 20 ATOM 11117 H HA . GLU A 1 29 ? 6.234 22.791 27.012 1.00 0.00 ? 29 GLU A HA 20 ATOM 11118 H HB2 . GLU A 1 29 ? 8.997 21.499 27.190 1.00 0.00 ? 29 GLU A HB2 20 ATOM 11119 H HB3 . GLU A 1 29 ? 7.750 20.610 28.106 1.00 0.00 ? 29 GLU A HB3 20 ATOM 11120 H HG2 . GLU A 1 29 ? 7.478 19.468 26.267 1.00 0.00 ? 29 GLU A HG2 20 ATOM 11121 H HG3 . GLU A 1 29 ? 6.295 20.778 25.889 1.00 0.00 ? 29 GLU A HG3 20 ATOM 11122 N N . ALA A 1 30 ? 7.763 22.825 29.904 1.00 0.00 ? 30 ALA A N 20 ATOM 11123 C CA . ALA A 1 30 ? 7.653 22.965 31.347 1.00 0.00 ? 30 ALA A CA 20 ATOM 11124 C C . ALA A 1 30 ? 7.435 24.416 31.730 1.00 0.00 ? 30 ALA A C 20 ATOM 11125 O O . ALA A 1 30 ? 6.607 24.743 32.584 1.00 0.00 ? 30 ALA A O 20 ATOM 11126 C CB . ALA A 1 30 ? 8.932 22.453 32.068 1.00 0.00 ? 30 ALA A CB 20 ATOM 11127 H H . ALA A 1 30 ? 8.695 22.744 29.565 1.00 0.00 ? 30 ALA A H 20 ATOM 11128 H HA . ALA A 1 30 ? 6.794 22.398 31.693 1.00 0.00 ? 30 ALA A HA 20 ATOM 11129 H HB1 . ALA A 1 30 ? 9.842 22.812 31.536 1.00 0.00 ? 30 ALA A HB1 20 ATOM 11130 H HB2 . ALA A 1 30 ? 8.994 22.770 33.135 1.00 0.00 ? 30 ALA A HB2 20 ATOM 11131 H HB3 . ALA A 1 30 ? 8.949 21.340 32.061 1.00 0.00 ? 30 ALA A HB3 20 ATOM 11132 N N . ALA A 1 31 ? 8.114 25.357 31.013 1.00 0.00 ? 31 ALA A N 20 ATOM 11133 C CA . ALA A 1 31 ? 8.010 26.791 31.278 1.00 0.00 ? 31 ALA A CA 20 ATOM 11134 C C . ALA A 1 31 ? 6.778 27.470 30.687 1.00 0.00 ? 31 ALA A C 20 ATOM 11135 O O . ALA A 1 31 ? 6.692 28.693 30.694 1.00 0.00 ? 31 ALA A O 20 ATOM 11136 C CB . ALA A 1 31 ? 9.295 27.566 30.882 1.00 0.00 ? 31 ALA A CB 20 ATOM 11137 H H . ALA A 1 31 ? 8.817 25.097 30.326 1.00 0.00 ? 31 ALA A H 20 ATOM 11138 H HA . ALA A 1 31 ? 7.931 26.930 32.348 1.00 0.00 ? 31 ALA A HA 20 ATOM 11139 H HB1 . ALA A 1 31 ? 10.183 27.013 31.253 1.00 0.00 ? 31 ALA A HB1 20 ATOM 11140 H HB2 . ALA A 1 31 ? 9.394 27.664 29.776 1.00 0.00 ? 31 ALA A HB2 20 ATOM 11141 H HB3 . ALA A 1 31 ? 9.308 28.582 31.335 1.00 0.00 ? 31 ALA A HB3 20 ATOM 11142 N N . LYS A 1 32 ? 5.744 26.687 30.251 1.00 0.00 ? 32 LYS A N 20 ATOM 11143 C CA . LYS A 1 32 ? 4.358 27.136 30.107 1.00 0.00 ? 32 LYS A CA 20 ATOM 11144 C C . LYS A 1 32 ? 3.420 26.306 30.959 1.00 0.00 ? 32 LYS A C 20 ATOM 11145 O O . LYS A 1 32 ? 2.211 26.469 30.855 1.00 0.00 ? 32 LYS A O 20 ATOM 11146 C CB . LYS A 1 32 ? 3.833 27.248 28.629 1.00 0.00 ? 32 LYS A CB 20 ATOM 11147 C CG . LYS A 1 32 ? 3.573 25.933 27.844 1.00 0.00 ? 32 LYS A CG 20 ATOM 11148 C CD . LYS A 1 32 ? 2.125 25.398 27.795 1.00 0.00 ? 32 LYS A CD 20 ATOM 11149 C CE . LYS A 1 32 ? 1.978 23.997 27.171 1.00 0.00 ? 32 LYS A CE 20 ATOM 11150 N NZ . LYS A 1 32 ? 2.796 22.920 27.840 1.00 0.00 ? 32 LYS A NZ 20 ATOM 11151 H H . LYS A 1 32 ? 5.895 25.713 30.062 1.00 0.00 ? 32 LYS A H 20 ATOM 11152 H HA . LYS A 1 32 ? 4.267 28.129 30.514 1.00 0.00 ? 32 LYS A HA 20 ATOM 11153 H HB2 . LYS A 1 32 ? 2.916 27.881 28.587 1.00 0.00 ? 32 LYS A HB2 20 ATOM 11154 H HB3 . LYS A 1 32 ? 4.619 27.811 28.077 1.00 0.00 ? 32 LYS A HB3 20 ATOM 11155 H HG2 . LYS A 1 32 ? 3.887 26.115 26.792 1.00 0.00 ? 32 LYS A HG2 20 ATOM 11156 H HG3 . LYS A 1 32 ? 4.244 25.161 28.270 1.00 0.00 ? 32 LYS A HG3 20 ATOM 11157 H HD2 . LYS A 1 32 ? 1.659 25.386 28.799 1.00 0.00 ? 32 LYS A HD2 20 ATOM 11158 H HD3 . LYS A 1 32 ? 1.534 26.113 27.182 1.00 0.00 ? 32 LYS A HD3 20 ATOM 11159 H HE2 . LYS A 1 32 ? 0.914 23.677 27.143 1.00 0.00 ? 32 LYS A HE2 20 ATOM 11160 H HE3 . LYS A 1 32 ? 2.356 24.060 26.126 1.00 0.00 ? 32 LYS A HE3 20 ATOM 11161 H HZ1 . LYS A 1 32 ? 3.710 23.270 28.195 1.00 0.00 ? 32 LYS A HZ1 20 ATOM 11162 H HZ2 . LYS A 1 32 ? 2.416 22.398 28.703 1.00 0.00 ? 32 LYS A HZ2 20 ATOM 11163 H HZ3 . LYS A 1 32 ? 2.988 22.162 27.159 1.00 0.00 ? 32 LYS A HZ3 20 ATOM 11164 N N . GLU A 1 33 ? 3.918 25.390 31.842 1.00 0.00 ? 33 GLU A N 20 ATOM 11165 C CA . GLU A 1 33 ? 3.047 24.702 32.804 1.00 0.00 ? 33 GLU A CA 20 ATOM 11166 C C . GLU A 1 33 ? 3.116 25.305 34.186 1.00 0.00 ? 33 GLU A C 20 ATOM 11167 O O . GLU A 1 33 ? 2.076 25.476 34.819 1.00 0.00 ? 33 GLU A O 20 ATOM 11168 C CB . GLU A 1 33 ? 3.148 23.148 32.745 1.00 0.00 ? 33 GLU A CB 20 ATOM 11169 C CG . GLU A 1 33 ? 2.226 22.686 31.592 1.00 0.00 ? 33 GLU A CG 20 ATOM 11170 C CD . GLU A 1 33 ? 2.477 21.304 31.015 1.00 0.00 ? 33 GLU A CD 20 ATOM 11171 O OE1 . GLU A 1 33 ? 2.387 20.268 31.722 1.00 0.00 ? 33 GLU A OE1 20 ATOM 11172 O OE2 . GLU A 1 33 ? 2.711 21.315 29.776 1.00 0.00 ? 33 GLU A OE2 20 ATOM 11173 H H . GLU A 1 33 ? 4.898 25.149 31.873 1.00 0.00 ? 33 GLU A H 20 ATOM 11174 H HA . GLU A 1 33 ? 2.006 24.874 32.550 1.00 0.00 ? 33 GLU A HA 20 ATOM 11175 H HB2 . GLU A 1 33 ? 4.202 22.828 32.606 1.00 0.00 ? 33 GLU A HB2 20 ATOM 11176 H HB3 . GLU A 1 33 ? 2.758 22.652 33.664 1.00 0.00 ? 33 GLU A HB3 20 ATOM 11177 H HG2 . GLU A 1 33 ? 1.172 22.733 31.932 1.00 0.00 ? 33 GLU A HG2 20 ATOM 11178 H HG3 . GLU A 1 33 ? 2.352 23.419 30.772 1.00 0.00 ? 33 GLU A HG3 20 ATOM 11179 N N . ALA A 1 34 ? 4.317 25.661 34.713 1.00 0.00 ? 34 ALA A N 20 ATOM 11180 C CA . ALA A 1 34 ? 4.425 26.300 36.018 1.00 0.00 ? 34 ALA A CA 20 ATOM 11181 C C . ALA A 1 34 ? 4.410 27.815 36.006 1.00 0.00 ? 34 ALA A C 20 ATOM 11182 O O . ALA A 1 34 ? 3.984 28.453 36.966 1.00 0.00 ? 34 ALA A O 20 ATOM 11183 C CB . ALA A 1 34 ? 5.699 25.807 36.763 1.00 0.00 ? 34 ALA A CB 20 ATOM 11184 H H . ALA A 1 34 ? 5.161 25.481 34.213 1.00 0.00 ? 34 ALA A H 20 ATOM 11185 H HA . ALA A 1 34 ? 3.523 26.058 36.583 1.00 0.00 ? 34 ALA A HA 20 ATOM 11186 H HB1 . ALA A 1 34 ? 5.698 24.696 36.774 1.00 0.00 ? 34 ALA A HB1 20 ATOM 11187 H HB2 . ALA A 1 34 ? 6.633 26.127 36.250 1.00 0.00 ? 34 ALA A HB2 20 ATOM 11188 H HB3 . ALA A 1 34 ? 5.738 26.152 37.825 1.00 0.00 ? 34 ALA A HB3 20 ATOM 11189 N N . VAL A 1 35 ? 4.933 28.436 34.929 1.00 0.00 ? 35 VAL A N 20 ATOM 11190 C CA . VAL A 1 35 ? 5.314 29.837 34.904 1.00 0.00 ? 35 VAL A CA 20 ATOM 11191 C C . VAL A 1 35 ? 4.253 30.653 34.163 1.00 0.00 ? 35 VAL A C 20 ATOM 11192 O O . VAL A 1 35 ? 4.221 31.874 34.257 1.00 0.00 ? 35 VAL A O 20 ATOM 11193 C CB . VAL A 1 35 ? 6.750 29.965 34.366 1.00 0.00 ? 35 VAL A CB 20 ATOM 11194 C CG1 . VAL A 1 35 ? 7.257 31.423 34.376 1.00 0.00 ? 35 VAL A CG1 20 ATOM 11195 C CG2 . VAL A 1 35 ? 7.687 29.106 35.262 1.00 0.00 ? 35 VAL A CG2 20 ATOM 11196 H H . VAL A 1 35 ? 5.213 27.916 34.133 1.00 0.00 ? 35 VAL A H 20 ATOM 11197 H HA . VAL A 1 35 ? 5.341 30.240 35.921 1.00 0.00 ? 35 VAL A HA 20 ATOM 11198 H HB . VAL A 1 35 ? 6.811 29.583 33.323 1.00 0.00 ? 35 VAL A HB 20 ATOM 11199 H HG11 . VAL A 1 35 ? 7.203 31.834 35.404 1.00 0.00 ? 35 VAL A HG11 20 ATOM 11200 H HG12 . VAL A 1 35 ? 8.317 31.485 34.040 1.00 0.00 ? 35 VAL A HG12 20 ATOM 11201 H HG13 . VAL A 1 35 ? 6.660 32.079 33.707 1.00 0.00 ? 35 VAL A HG13 20 ATOM 11202 H HG21 . VAL A 1 35 ? 7.521 29.317 36.338 1.00 0.00 ? 35 VAL A HG21 20 ATOM 11203 H HG22 . VAL A 1 35 ? 7.542 28.023 35.088 1.00 0.00 ? 35 VAL A HG22 20 ATOM 11204 H HG23 . VAL A 1 35 ? 8.750 29.332 35.044 1.00 0.00 ? 35 VAL A HG23 20 ATOM 11205 N N . ASN A 1 36 ? 3.342 30.014 33.388 1.00 0.00 ? 36 ASN A N 20 ATOM 11206 C CA . ASN A 1 36 ? 2.210 30.672 32.771 1.00 0.00 ? 36 ASN A CA 20 ATOM 11207 C C . ASN A 1 36 ? 1.303 29.545 32.422 1.00 0.00 ? 36 ASN A C 20 ATOM 11208 O O . ASN A 1 36 ? 1.538 28.428 32.880 1.00 0.00 ? 36 ASN A O 20 ATOM 11209 C CB . ASN A 1 36 ? 2.508 31.640 31.584 1.00 0.00 ? 36 ASN A CB 20 ATOM 11210 C CG . ASN A 1 36 ? 3.233 30.944 30.440 1.00 0.00 ? 36 ASN A CG 20 ATOM 11211 O OD1 . ASN A 1 36 ? 2.612 30.606 29.435 1.00 0.00 ? 36 ASN A OD1 20 ATOM 11212 N ND2 . ASN A 1 36 ? 4.550 30.684 30.615 1.00 0.00 ? 36 ASN A ND2 20 ATOM 11213 H H . ASN A 1 36 ? 3.216 29.017 33.353 1.00 0.00 ? 36 ASN A H 20 ATOM 11214 H HA . ASN A 1 36 ? 1.674 31.236 33.530 1.00 0.00 ? 36 ASN A HA 20 ATOM 11215 H HB2 . ASN A 1 36 ? 1.569 32.092 31.189 1.00 0.00 ? 36 ASN A HB2 20 ATOM 11216 H HB3 . ASN A 1 36 ? 3.116 32.484 31.965 1.00 0.00 ? 36 ASN A HB3 20 ATOM 11217 H HD21 . ASN A 1 36 ? 4.973 30.915 31.494 1.00 0.00 ? 36 ASN A HD21 20 ATOM 11218 H HD22 . ASN A 1 36 ? 5.020 30.047 30.005 1.00 0.00 ? 36 ASN A HD22 20 ATOM 11219 N N . LEU A 1 37 ? 0.265 29.841 31.606 1.00 0.00 ? 37 LEU A N 20 ATOM 11220 C CA . LEU A 1 37 ? -0.747 28.908 31.185 1.00 0.00 ? 37 LEU A CA 20 ATOM 11221 C C . LEU A 1 37 ? -1.517 29.610 30.077 1.00 0.00 ? 37 LEU A C 20 ATOM 11222 O O . LEU A 1 37 ? -2.745 29.655 30.072 1.00 0.00 ? 37 LEU A O 20 ATOM 11223 C CB . LEU A 1 37 ? -1.622 28.363 32.376 1.00 0.00 ? 37 LEU A CB 20 ATOM 11224 C CG . LEU A 1 37 ? -1.821 29.278 33.626 1.00 0.00 ? 37 LEU A CG 20 ATOM 11225 C CD1 . LEU A 1 37 ? -2.381 30.681 33.323 1.00 0.00 ? 37 LEU A CD1 20 ATOM 11226 C CD2 . LEU A 1 37 ? -2.638 28.581 34.732 1.00 0.00 ? 37 LEU A CD2 20 ATOM 11227 H H . LEU A 1 37 ? 0.115 30.767 31.268 1.00 0.00 ? 37 LEU A H 20 ATOM 11228 H HA . LEU A 1 37 ? -0.257 28.069 30.706 1.00 0.00 ? 37 LEU A HA 20 ATOM 11229 H HB2 . LEU A 1 37 ? -2.608 28.007 32.020 1.00 0.00 ? 37 LEU A HB2 20 ATOM 11230 H HB3 . LEU A 1 37 ? -1.077 27.466 32.761 1.00 0.00 ? 37 LEU A HB3 20 ATOM 11231 H HG . LEU A 1 37 ? -0.818 29.420 34.091 1.00 0.00 ? 37 LEU A HG 20 ATOM 11232 H HD11 . LEU A 1 37 ? -3.364 30.596 32.817 1.00 0.00 ? 37 LEU A HD11 20 ATOM 11233 H HD12 . LEU A 1 37 ? -2.487 31.262 34.263 1.00 0.00 ? 37 LEU A HD12 20 ATOM 11234 H HD13 . LEU A 1 37 ? -1.705 31.253 32.657 1.00 0.00 ? 37 LEU A HD13 20 ATOM 11235 H HD21 . LEU A 1 37 ? -3.022 27.595 34.393 1.00 0.00 ? 37 LEU A HD21 20 ATOM 11236 H HD22 . LEU A 1 37 ? -2.002 28.416 35.630 1.00 0.00 ? 37 LEU A HD22 20 ATOM 11237 H HD23 . LEU A 1 37 ? -3.503 29.214 35.030 1.00 0.00 ? 37 LEU A HD23 20 ATOM 11238 N N . LYS A 1 38 ? -0.763 30.184 29.100 1.00 0.00 ? 38 LYS A N 20 ATOM 11239 C CA . LYS A 1 38 ? -1.265 30.755 27.860 1.00 0.00 ? 38 LYS A CA 20 ATOM 11240 C C . LYS A 1 38 ? -1.265 29.674 26.730 1.00 0.00 ? 38 LYS A C 20 ATOM 11241 O O . LYS A 1 38 ? -1.970 29.880 25.710 1.00 0.00 ? 38 LYS A O 20 ATOM 11242 C CB . LYS A 1 38 ? -0.409 31.985 27.419 1.00 0.00 ? 38 LYS A CB 20 ATOM 11243 C CG . LYS A 1 38 ? 0.962 31.660 26.793 1.00 0.00 ? 38 LYS A CG 20 ATOM 11244 C CD . LYS A 1 38 ? 0.902 31.491 25.270 1.00 0.00 ? 38 LYS A CD 20 ATOM 11245 C CE . LYS A 1 38 ? 1.654 30.239 24.796 1.00 0.00 ? 38 LYS A CE 20 ATOM 11246 N NZ . LYS A 1 38 ? 1.158 29.774 23.480 1.00 0.00 ? 38 LYS A NZ 20 ATOM 11247 O OXT . LYS A 1 38 ? -0.472 28.697 26.835 1.00 0.00 ? 38 LYS A OXT 20 ATOM 11248 H H . LYS A 1 38 ? 0.236 30.153 29.147 1.00 0.00 ? 38 LYS A H 20 ATOM 11249 H HA . LYS A 1 38 ? -2.284 31.093 28.001 1.00 0.00 ? 38 LYS A HA 20 ATOM 11250 H HB2 . LYS A 1 38 ? -0.985 32.612 26.701 1.00 0.00 ? 38 LYS A HB2 20 ATOM 11251 H HB3 . LYS A 1 38 ? -0.239 32.603 28.322 1.00 0.00 ? 38 LYS A HB3 20 ATOM 11252 H HG2 . LYS A 1 38 ? 1.711 32.443 27.036 1.00 0.00 ? 38 LYS A HG2 20 ATOM 11253 H HG3 . LYS A 1 38 ? 1.321 30.714 27.255 1.00 0.00 ? 38 LYS A HG3 20 ATOM 11254 H HD2 . LYS A 1 38 ? -0.175 31.395 25.005 1.00 0.00 ? 38 LYS A HD2 20 ATOM 11255 H HD3 . LYS A 1 38 ? 1.283 32.406 24.768 1.00 0.00 ? 38 LYS A HD3 20 ATOM 11256 H HE2 . LYS A 1 38 ? 2.745 30.445 24.727 1.00 0.00 ? 38 LYS A HE2 20 ATOM 11257 H HE3 . LYS A 1 38 ? 1.487 29.400 25.505 1.00 0.00 ? 38 LYS A HE3 20 ATOM 11258 H HZ1 . LYS A 1 38 ? 1.071 30.576 22.824 1.00 0.00 ? 38 LYS A HZ1 20 ATOM 11259 H HZ2 . LYS A 1 38 ? 1.807 29.060 23.087 1.00 0.00 ? 38 LYS A HZ2 20 ATOM 11260 H HZ3 . LYS A 1 38 ? 0.211 29.355 23.631 1.00 0.00 ? 38 LYS A HZ3 20 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 1 1 GLU GLU A . n A 1 2 ALA 2 2 2 ALA ALA A . n A 1 3 TYR 3 3 3 TYR TYR A . n A 1 4 LYS 4 4 4 LYS LYS A . n A 1 5 LYS 5 5 5 LYS LYS A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 LYS 7 7 7 LYS LYS A . n A 1 8 GLN 8 8 8 GLN GLN A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 SER 10 10 10 SER SER A . n A 1 11 GLN 11 11 11 GLN GLN A . n A 1 12 ASP 12 12 12 ASP ASP A . n A 1 13 ALA 13 13 13 ALA ALA A . n A 1 14 GLU 14 14 14 GLU GLU A . n A 1 15 GLN 15 15 15 GLN GLN A . n A 1 16 ALA 16 16 16 ALA ALA A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 LYS 18 18 18 LYS LYS A . n A 1 19 ASP 19 19 19 ASP ASP A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 ASN 22 22 22 ASN ASN A . n A 1 23 ALA 23 23 23 ALA ALA A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 LYS 25 25 25 LYS LYS A . n A 1 26 GLU 26 26 26 GLU GLU A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 GLU 28 28 28 GLU GLU A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 ALA 30 30 30 ALA ALA A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 LYS 32 32 32 LYS LYS A . n A 1 33 GLU 33 33 33 GLU GLU A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 VAL 35 35 35 VAL VAL A . n A 1 36 ASN 36 36 36 ASN ASN A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 LYS 38 38 38 LYS LYS A . n # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 1995-02-07 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal X-PLOR 'model building' . ? 1 X-PLOR refinement . ? 2 X-PLOR phasing . ? 3 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OE2 A GLU 28 ? ? HZ1 A LYS 32 ? ? 1.45 2 1 OE1 A GLU 21 ? ? HZ2 A LYS 25 ? ? 1.46 3 2 HZ2 A LYS 5 ? ? OD1 A ASP 12 ? ? 1.42 4 2 HZ2 A LYS 7 ? ? OD2 A ASP 12 ? ? 1.45 5 2 OE2 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.50 6 2 HZ2 A LYS 32 ? ? O A LYS 38 ? ? 1.52 7 3 HZ1 A LYS 7 ? ? OD2 A ASP 12 ? ? 1.44 8 3 OE2 A GLU 14 ? ? HZ3 A LYS 18 ? ? 1.44 9 3 HZ1 A LYS 25 ? ? OE1 A GLU 29 ? ? 1.47 10 4 OE1 A GLU 29 ? ? HZ2 A LYS 32 ? ? 1.43 11 4 OE1 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.47 12 5 OE1 A GLU 14 ? ? HZ3 A LYS 18 ? ? 1.47 13 5 HG A SER 24 ? ? OE1 A GLU 28 ? ? 1.47 14 5 HZ3 A LYS 25 ? ? OE1 A GLU 29 ? ? 1.48 15 5 HZ1 A LYS 32 ? ? O A LYS 38 ? ? 1.52 16 6 OE2 A GLU 14 ? ? HZ1 A LYS 18 ? ? 1.45 17 6 HZ3 A LYS 32 ? ? OXT A LYS 38 ? ? 1.51 18 6 H3 A GLU 1 ? ? OD2 A ASP 12 ? ? 1.53 19 7 HZ3 A LYS 7 ? ? OE2 A GLU 21 ? ? 1.45 20 7 HZ3 A LYS 32 ? ? OE1 A GLU 33 ? ? 1.50 21 7 HZ1 A LYS 32 ? ? O A LYS 38 ? ? 1.51 22 7 O A ALA 9 ? ? HG A SER 10 ? ? 1.58 23 8 OE2 A GLU 29 ? ? HZ3 A LYS 32 ? ? 1.45 24 8 OE1 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.50 25 8 HG A SER 24 ? ? OE1 A GLU 28 ? ? 1.54 26 8 OD1 A ASN 22 ? ? HZ1 A LYS 25 ? ? 1.59 27 9 OE1 A GLU 21 ? ? HZ2 A LYS 25 ? ? 1.44 28 9 OE1 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.52 29 10 HZ3 A LYS 25 ? ? OE1 A GLU 28 ? ? 1.59 30 11 HZ3 A LYS 25 ? ? OE1 A GLU 29 ? ? 1.48 31 13 HZ3 A LYS 25 ? ? OE2 A GLU 28 ? ? 1.43 32 14 OE2 A GLU 14 ? ? HZ3 A LYS 18 ? ? 1.45 33 14 HZ3 A LYS 25 ? ? OE2 A GLU 28 ? ? 1.47 34 14 HZ1 A LYS 25 ? ? OE1 A GLU 33 ? ? 1.48 35 14 OE2 A GLU 1 ? ? HZ1 A LYS 7 ? ? 1.53 36 15 HZ1 A LYS 25 ? ? OE1 A GLU 28 ? ? 1.50 37 15 HE22 A GLN 15 ? ? OD2 A ASP 19 ? ? 1.56 38 16 OE1 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.47 39 16 HG A SER 24 ? ? OE1 A GLU 28 ? ? 1.51 40 17 OE2 A GLU 14 ? ? HZ2 A LYS 18 ? ? 1.45 41 18 OE1 A GLU 29 ? ? HZ1 A LYS 32 ? ? 1.51 42 18 HZ3 A LYS 25 ? ? OE2 A GLU 28 ? ? 1.52 43 18 O A ALA 9 ? ? HG A SER 10 ? ? 1.60 44 19 HZ1 A LYS 25 ? ? OE1 A GLU 28 ? ? 1.44 45 19 HZ3 A LYS 32 ? ? O A LYS 38 ? ? 1.48 46 20 HZ3 A LYS 25 ? ? OE2 A GLU 28 ? ? 1.52 47 20 HZ2 A LYS 32 ? ? OE2 A GLU 33 ? ? 1.55 48 20 OE1 A GLU 14 ? ? HZ3 A LYS 18 ? ? 1.56 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TYR A 3 ? ? -70.48 -94.29 2 1 SER A 10 ? ? -173.21 -173.06 3 1 ALA A 27 ? ? -89.68 44.82 4 1 ALA A 31 ? ? -91.59 -67.49 5 1 LYS A 32 ? ? 82.66 67.37 6 1 GLU A 33 ? ? -85.64 36.86 7 1 LEU A 37 ? ? -159.25 42.69 8 2 TYR A 3 ? ? -152.75 3.42 9 2 LYS A 4 ? ? 98.36 146.41 10 2 ASP A 19 ? ? -63.63 0.43 11 2 ALA A 31 ? ? -91.20 31.41 12 2 LYS A 32 ? ? -100.13 -84.75 13 2 VAL A 35 ? ? -134.21 -63.91 14 2 LEU A 37 ? ? 106.62 -1.42 15 3 ALA A 2 ? ? -100.65 66.75 16 3 LYS A 4 ? ? -142.80 -127.30 17 3 GLN A 8 ? ? 170.26 -148.72 18 3 ALA A 9 ? ? -95.74 -103.59 19 3 SER A 10 ? ? -149.93 46.94 20 3 ALA A 31 ? ? -87.72 40.72 21 3 LYS A 32 ? ? -135.43 -87.98 22 3 VAL A 35 ? ? -122.92 -68.03 23 4 LYS A 4 ? ? 37.23 -135.30 24 4 LYS A 5 ? ? 61.18 114.58 25 4 GLN A 8 ? ? -117.61 53.44 26 4 ALA A 9 ? ? -100.55 -123.36 27 4 SER A 10 ? ? -156.02 62.38 28 4 ALA A 31 ? ? -90.75 51.40 29 4 LYS A 32 ? ? -155.02 -45.59 30 4 ALA A 34 ? ? -91.02 -80.03 31 4 VAL A 35 ? ? -158.62 -51.08 32 4 ASN A 36 ? ? -136.76 -87.19 33 5 ALA A 2 ? ? -166.09 62.66 34 5 TYR A 3 ? ? -134.77 -147.19 35 5 ALA A 6 ? ? -91.95 -130.92 36 5 GLN A 8 ? ? -118.75 -85.28 37 5 SER A 10 ? ? 176.06 -147.16 38 5 LYS A 32 ? ? -157.19 -59.61 39 5 ASN A 36 ? ? -151.22 -34.67 40 5 LEU A 37 ? ? 83.78 19.38 41 6 ALA A 2 ? ? -109.82 -139.13 42 6 LYS A 4 ? ? -139.84 -79.82 43 6 LYS A 5 ? ? -148.84 -84.28 44 6 GLN A 8 ? ? -103.12 -142.30 45 6 ALA A 31 ? ? -72.41 36.69 46 6 ASN A 36 ? ? -160.47 -165.27 47 6 LEU A 37 ? ? -171.68 56.06 48 7 ALA A 2 ? ? 74.00 44.26 49 7 LYS A 4 ? ? -175.44 -171.50 50 7 GLN A 8 ? ? 94.61 46.00 51 7 SER A 10 ? ? 174.00 -177.83 52 7 ALA A 31 ? ? -90.93 40.61 53 7 LYS A 32 ? ? -125.46 -90.44 54 7 LEU A 37 ? ? 86.91 5.22 55 8 ALA A 2 ? ? -104.91 -145.97 56 8 TYR A 3 ? ? -94.30 -156.30 57 8 LYS A 4 ? ? -119.83 70.35 58 8 SER A 10 ? ? -175.73 -169.97 59 8 ALA A 31 ? ? -91.29 -69.04 60 8 LYS A 32 ? ? 78.22 50.22 61 8 LEU A 37 ? ? 175.51 50.66 62 9 LYS A 4 ? ? -103.21 40.23 63 9 LYS A 7 ? ? -101.50 -153.35 64 9 SER A 10 ? ? 174.73 -150.45 65 9 LYS A 32 ? ? -129.50 -71.35 66 9 ALA A 34 ? ? -92.52 -68.73 67 9 ASN A 36 ? ? -119.93 -83.21 68 10 ALA A 2 ? ? 174.42 176.66 69 10 LYS A 4 ? ? 106.92 -48.26 70 10 LYS A 5 ? ? 102.45 -157.08 71 10 GLN A 8 ? ? -139.67 -115.12 72 10 SER A 10 ? ? 165.20 -141.69 73 10 LYS A 32 ? ? -105.88 -84.92 74 10 LEU A 37 ? ? 91.10 -3.79 75 11 LYS A 4 ? ? -171.23 99.36 76 11 LYS A 7 ? ? -100.37 -63.44 77 11 GLN A 8 ? ? 104.39 130.18 78 11 ALA A 9 ? ? -100.23 49.32 79 11 SER A 10 ? ? -130.33 -146.23 80 11 LYS A 32 ? ? -114.70 -93.52 81 12 TYR A 3 ? ? 88.52 131.49 82 12 LYS A 4 ? ? -165.89 73.06 83 12 LYS A 5 ? ? 92.71 133.14 84 12 GLN A 8 ? ? -165.65 -73.94 85 12 ALA A 9 ? ? -100.42 -78.73 86 12 SER A 10 ? ? -157.12 -158.89 87 12 LYS A 32 ? ? 78.79 84.54 88 12 ALA A 34 ? ? -91.79 -60.74 89 12 LEU A 37 ? ? -154.47 28.68 90 13 ALA A 2 ? ? 74.57 155.11 91 13 TYR A 3 ? ? -155.02 -55.82 92 13 ALA A 9 ? ? -97.52 -67.89 93 13 SER A 10 ? ? -162.80 -136.69 94 13 ASN A 36 ? ? -160.44 -69.43 95 13 LEU A 37 ? ? 71.01 39.15 96 14 LYS A 4 ? ? 82.68 13.01 97 14 LYS A 5 ? ? 79.25 -83.12 98 14 ALA A 6 ? ? -91.85 -102.46 99 14 GLN A 8 ? ? -67.37 -76.76 100 14 LYS A 32 ? ? 76.76 61.69 101 14 ASN A 36 ? ? -87.30 -77.13 102 14 LEU A 37 ? ? 105.95 -10.69 103 15 ALA A 2 ? ? -158.02 74.29 104 15 TYR A 3 ? ? 92.00 -102.77 105 15 LYS A 4 ? ? 76.06 -90.10 106 15 LYS A 5 ? ? -141.89 51.81 107 15 GLN A 8 ? ? -177.34 -168.59 108 15 ALA A 9 ? ? -100.49 -165.91 109 15 SER A 10 ? ? -96.23 40.74 110 15 LYS A 32 ? ? -136.42 -38.79 111 15 ALA A 34 ? ? -91.10 -84.91 112 15 VAL A 35 ? ? -170.01 -40.58 113 15 ASN A 36 ? ? -137.60 -87.32 114 16 TYR A 3 ? ? -147.80 -96.55 115 16 ALA A 6 ? ? -91.54 -143.23 116 16 GLN A 8 ? ? -145.33 -64.12 117 16 ALA A 9 ? ? -100.10 -145.11 118 16 LEU A 37 ? ? -152.13 59.26 119 17 SER A 10 ? ? 173.16 -161.15 120 17 ALA A 31 ? ? -87.61 34.53 121 17 LYS A 32 ? ? -132.66 -70.71 122 17 ASN A 36 ? ? -160.29 -156.51 123 17 LEU A 37 ? ? -172.31 49.75 124 18 ALA A 2 ? ? -101.77 43.60 125 18 TYR A 3 ? ? -125.83 -127.07 126 18 LYS A 5 ? ? 89.60 -101.47 127 18 SER A 10 ? ? -172.19 -171.99 128 18 LYS A 32 ? ? -102.45 -67.98 129 18 VAL A 35 ? ? 89.63 -12.55 130 18 ASN A 36 ? ? -160.65 -70.24 131 18 LEU A 37 ? ? 97.37 38.58 132 19 ALA A 2 ? ? -177.47 -165.94 133 19 LYS A 4 ? ? -140.11 -70.92 134 19 LYS A 5 ? ? -162.33 100.54 135 19 SER A 10 ? ? -173.47 -173.88 136 19 ALA A 31 ? ? -89.66 32.60 137 19 LYS A 32 ? ? -123.49 -83.17 138 19 VAL A 35 ? ? -120.09 -65.28 139 20 ALA A 9 ? ? -100.92 -161.85 140 20 ASP A 19 ? ? -32.93 -26.26 141 20 ASN A 36 ? ? -162.42 -168.21 142 20 LEU A 37 ? ? -168.90 48.77 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 9 GLU A 33 ? ? ALA A 34 ? ? 149.63 2 10 ALA A 9 ? ? SER A 10 ? ? -149.55 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 7 TYR A 3 ? ? 0.080 'SIDE CHAIN' 2 17 TYR A 3 ? ? 0.098 'SIDE CHAIN' 3 19 TYR A 3 ? ? 0.091 'SIDE CHAIN' # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/2crb.cif ================================================ data_2CRB # _entry.id 2CRB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2CRB RCSB RCSB024538 WWPDB D_1000024538 # _pdbx_database_related.db_name TargetDB _pdbx_database_related.db_id mmt007101205 _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2CRB _pdbx_database_status.recvd_initial_deposition_date 2005-05-20 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry Y _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Suetake, T.' 1 'Hayashi, F.' 2 'Yokoyama, S.' 3 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' 4 # _citation.id primary _citation.title 'Solution structure of MIT domain from mouse NRBF-2' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Suetake, T.' 1 primary 'Hayashi, F.' 2 primary 'Yokoyama, S.' 3 # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description 'nuclear receptor binding factor 2' _entity.formula_weight 10878.284 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation Q91H _entity.pdbx_fragment 'MIT domain' _entity.details ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;GSSGSSGMEGPLNLAHQQSRRADRLLAAGKYEEAISCHRKATTYLSEAMKLTESEQAHLSLELQRDSHMKQLLLIQERWK RAKREERLKAHSGPSSG ; _entity_poly.pdbx_seq_one_letter_code_can ;GSSGSSGMEGPLNLAHQQSRRADRLLAAGKYEEAISCHRKATTYLSEAMKLTESEQAHLSLELQRDSHMKQLLLIQERWK RAKREERLKAHSGPSSG ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier mmt007101205 # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 SER n 1 3 SER n 1 4 GLY n 1 5 SER n 1 6 SER n 1 7 GLY n 1 8 MET n 1 9 GLU n 1 10 GLY n 1 11 PRO n 1 12 LEU n 1 13 ASN n 1 14 LEU n 1 15 ALA n 1 16 HIS n 1 17 GLN n 1 18 GLN n 1 19 SER n 1 20 ARG n 1 21 ARG n 1 22 ALA n 1 23 ASP n 1 24 ARG n 1 25 LEU n 1 26 LEU n 1 27 ALA n 1 28 ALA n 1 29 GLY n 1 30 LYS n 1 31 TYR n 1 32 GLU n 1 33 GLU n 1 34 ALA n 1 35 ILE n 1 36 SER n 1 37 CYS n 1 38 HIS n 1 39 ARG n 1 40 LYS n 1 41 ALA n 1 42 THR n 1 43 THR n 1 44 TYR n 1 45 LEU n 1 46 SER n 1 47 GLU n 1 48 ALA n 1 49 MET n 1 50 LYS n 1 51 LEU n 1 52 THR n 1 53 GLU n 1 54 SER n 1 55 GLU n 1 56 GLN n 1 57 ALA n 1 58 HIS n 1 59 LEU n 1 60 SER n 1 61 LEU n 1 62 GLU n 1 63 LEU n 1 64 GLN n 1 65 ARG n 1 66 ASP n 1 67 SER n 1 68 HIS n 1 69 MET n 1 70 LYS n 1 71 GLN n 1 72 LEU n 1 73 LEU n 1 74 LEU n 1 75 ILE n 1 76 GLN n 1 77 GLU n 1 78 ARG n 1 79 TRP n 1 80 LYS n 1 81 ARG n 1 82 ALA n 1 83 LYS n 1 84 ARG n 1 85 GLU n 1 86 GLU n 1 87 ARG n 1 88 LEU n 1 89 LYS n 1 90 ALA n 1 91 HIS n 1 92 SER n 1 93 GLY n 1 94 PRO n 1 95 SER n 1 96 SER n 1 97 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'house mouse' _entity_src_gen.gene_src_genus Mus _entity_src_gen.pdbx_gene_src_gene 'RIKEN cDNA 1110048E14' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name P040315-13 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description 'cell free protein synthesis' # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q9DCG3_MOUSE _struct_ref.pdbx_db_accession Q9DCG3 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;MEGPLNLAHQQSRRADRLLAAGKYEEAISCHRKATTYLSEAMKLTESEQAHLSLELQRDSHMKQLLLIQERWKRAKREER LKAQ ; _struct_ref.pdbx_align_begin 4 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2CRB _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 8 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 91 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q9DCG3 _struct_ref_seq.db_align_beg 4 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 87 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 8 _struct_ref_seq.pdbx_auth_seq_align_end 91 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2CRB GLY A 1 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 1 1 1 2CRB SER A 2 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 2 2 1 2CRB SER A 3 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 3 3 1 2CRB GLY A 4 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 4 4 1 2CRB SER A 5 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 5 5 1 2CRB SER A 6 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 6 6 1 2CRB GLY A 7 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 7 7 1 2CRB HIS A 91 ? UNP Q9DCG3 GLN 87 ENGINEERED 91 8 1 2CRB SER A 92 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 92 9 1 2CRB GLY A 93 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 93 10 1 2CRB PRO A 94 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 94 11 1 2CRB SER A 95 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 95 12 1 2CRB SER A 96 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 96 13 1 2CRB GLY A 97 ? UNP Q9DCG3 ? ? 'CLONING ARTIFACT' 97 14 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 # loop_ _pdbx_nmr_exptl.experiment_id _pdbx_nmr_exptl.conditions_id _pdbx_nmr_exptl.type _pdbx_nmr_exptl.solution_id 1 1 3D_13C-separated_NOESY 1 2 1 3D_15N-separated_NOESY 1 # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.temperature 298 _pdbx_nmr_exptl_sample_conditions.pressure ambient _pdbx_nmr_exptl_sample_conditions.pH 7.0 _pdbx_nmr_exptl_sample_conditions.ionic_strength '100 mM NaCl' _pdbx_nmr_exptl_sample_conditions.pressure_units . _pdbx_nmr_exptl_sample_conditions.temperature_units K # _pdbx_nmr_sample_details.solution_id 1 _pdbx_nmr_sample_details.contents '1.18mM 13C, 15N-labeled protein; 20mM d-Tris-HCl; 100mM NaCl; 1mM d10-DTT; 0.02% NaN3' _pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O' # _pdbx_nmr_spectrometer.spectrometer_id 1 _pdbx_nmr_spectrometer.model INOVA _pdbx_nmr_spectrometer.manufacturer Varian _pdbx_nmr_spectrometer.field_strength 800 _pdbx_nmr_spectrometer.type ? # _pdbx_nmr_refine.entry_id 2CRB _pdbx_nmr_refine.method 'torsion angle dynamics' _pdbx_nmr_refine.details ? _pdbx_nmr_refine.software_ordinal 1 # _pdbx_nmr_ensemble.entry_id 2CRB _pdbx_nmr_ensemble.conformers_calculated_total_number 100 _pdbx_nmr_ensemble.conformers_submitted_total_number 20 _pdbx_nmr_ensemble.conformer_selection_criteria 'structures with the least restraint violation, target function' _pdbx_nmr_ensemble.average_constraints_per_residue ? _pdbx_nmr_ensemble.average_constraint_violations_per_residue ? _pdbx_nmr_ensemble.maximum_distance_constraint_violation ? _pdbx_nmr_ensemble.average_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? _pdbx_nmr_ensemble.distance_constraint_violation_method ? _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? # _pdbx_nmr_representative.entry_id 2CRB _pdbx_nmr_representative.conformer_id 1 _pdbx_nmr_representative.selection_criteria 'lowest energy' # loop_ _pdbx_nmr_software.classification _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.authors _pdbx_nmr_software.ordinal collection VNMR 6.1C VARIAN 1 processing NMRPipe 20031121 'Delaglio, F.' 2 'data analysis' NMRView 5.0.4 'Johnson, B. A.' 3 'data analysis' Kujira 0.927 'Kobayashi, N.' 4 'structure solution' CYANA 2.0.17 'Guntert, P.' 5 refinement CYANA 2.0.17 'Guntert, P.' 6 # _exptl.entry_id 2CRB _exptl.method 'SOLUTION NMR' _exptl.crystals_number ? # _struct.entry_id 2CRB _struct.title 'Solution structure of MIT domain from mouse NRBF-2' _struct.pdbx_descriptor 'nuclear receptor binding factor 2' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2CRB _struct_keywords.pdbx_keywords TRANSCRIPTION _struct_keywords.text ;NRBF-2, MIT domain, helix bundle, Structural Genomics, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI, TRANSCRIPTION ; # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? ALA A 28 ? GLY A 10 ALA A 28 1 ? 19 HELX_P HELX_P2 2 LYS A 30 ? LYS A 50 ? LYS A 30 LYS A 50 1 ? 21 HELX_P HELX_P3 3 SER A 54 ? ALA A 90 ? SER A 54 ALA A 90 1 ? 37 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _database_PDB_matrix.entry_id 2CRB _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2CRB _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? -8.676 26.376 9.195 1.00 0.00 ? 1 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? -8.945 24.998 9.562 1.00 0.00 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? -9.051 24.808 11.062 1.00 0.00 ? 1 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? -9.840 25.480 11.726 1.00 0.00 ? 1 GLY A O 1 ATOM 5 H H1 . GLY A 1 1 ? -8.946 26.709 8.314 1.00 0.00 ? 1 GLY A H1 1 ATOM 6 H HA2 . GLY A 1 1 ? -9.873 24.690 9.104 1.00 0.00 ? 1 GLY A HA2 1 ATOM 7 H HA3 . GLY A 1 1 ? -8.146 24.375 9.188 1.00 0.00 ? 1 GLY A HA3 1 ATOM 8 N N . SER A 1 2 ? -8.256 23.887 11.598 1.00 0.00 ? 2 SER A N 1 ATOM 9 C CA . SER A 1 2 ? -8.268 23.606 13.029 1.00 0.00 ? 2 SER A CA 1 ATOM 10 C C . SER A 1 2 ? -7.025 24.176 13.705 1.00 0.00 ? 2 SER A C 1 ATOM 11 O O . SER A 1 2 ? -5.915 23.683 13.506 1.00 0.00 ? 2 SER A O 1 ATOM 12 C CB . SER A 1 2 ? -8.348 22.098 13.273 1.00 0.00 ? 2 SER A CB 1 ATOM 13 O OG . SER A 1 2 ? -9.686 21.637 13.184 1.00 0.00 ? 2 SER A OG 1 ATOM 14 H H . SER A 1 2 ? -7.649 23.384 11.016 1.00 0.00 ? 2 SER A H 1 ATOM 15 H HA . SER A 1 2 ? -9.142 24.077 13.452 1.00 0.00 ? 2 SER A HA 1 ATOM 16 H HB2 . SER A 1 2 ? -7.754 21.584 12.533 1.00 0.00 ? 2 SER A HB2 1 ATOM 17 H HB3 . SER A 1 2 ? -7.968 21.875 14.259 1.00 0.00 ? 2 SER A HB3 1 ATOM 18 H HG . SER A 1 2 ? -9.771 20.807 13.658 1.00 0.00 ? 2 SER A HG 1 ATOM 19 N N . SER A 1 3 ? -7.221 25.219 14.506 1.00 0.00 ? 3 SER A N 1 ATOM 20 C CA . SER A 1 3 ? -6.116 25.860 15.209 1.00 0.00 ? 3 SER A CA 1 ATOM 21 C C . SER A 1 3 ? -5.008 26.254 14.237 1.00 0.00 ? 3 SER A C 1 ATOM 22 O O . SER A 1 3 ? -3.825 26.066 14.517 1.00 0.00 ? 3 SER A O 1 ATOM 23 C CB . SER A 1 3 ? -5.559 24.927 16.285 1.00 0.00 ? 3 SER A CB 1 ATOM 24 O OG . SER A 1 3 ? -6.396 24.909 17.428 1.00 0.00 ? 3 SER A OG 1 ATOM 25 H H . SER A 1 3 ? -8.130 25.567 14.624 1.00 0.00 ? 3 SER A H 1 ATOM 26 H HA . SER A 1 3 ? -6.498 26.753 15.682 1.00 0.00 ? 3 SER A HA 1 ATOM 27 H HB2 . SER A 1 3 ? -5.489 23.926 15.889 1.00 0.00 ? 3 SER A HB2 1 ATOM 28 H HB3 . SER A 1 3 ? -4.576 25.267 16.579 1.00 0.00 ? 3 SER A HB3 1 ATOM 29 H HG . SER A 1 3 ? -6.236 25.695 17.956 1.00 0.00 ? 3 SER A HG 1 ATOM 30 N N . GLY A 1 4 ? -5.402 26.801 13.091 1.00 0.00 ? 4 GLY A N 1 ATOM 31 C CA . GLY A 1 4 ? -4.431 27.213 12.094 1.00 0.00 ? 4 GLY A CA 1 ATOM 32 C C . GLY A 1 4 ? -5.074 27.553 10.764 1.00 0.00 ? 4 GLY A C 1 ATOM 33 O O . GLY A 1 4 ? -6.053 26.924 10.361 1.00 0.00 ? 4 GLY A O 1 ATOM 34 H H . GLY A 1 4 ? -6.359 26.927 12.921 1.00 0.00 ? 4 GLY A H 1 ATOM 35 H HA2 . GLY A 1 4 ? -3.902 28.080 12.458 1.00 0.00 ? 4 GLY A HA2 1 ATOM 36 H HA3 . GLY A 1 4 ? -3.725 26.409 11.943 1.00 0.00 ? 4 GLY A HA3 1 ATOM 37 N N . SER A 1 5 ? -4.526 28.553 10.082 1.00 0.00 ? 5 SER A N 1 ATOM 38 C CA . SER A 1 5 ? -5.056 28.981 8.792 1.00 0.00 ? 5 SER A CA 1 ATOM 39 C C . SER A 1 5 ? -4.187 28.464 7.649 1.00 0.00 ? 5 SER A C 1 ATOM 40 O O . SER A 1 5 ? -3.927 29.177 6.681 1.00 0.00 ? 5 SER A O 1 ATOM 41 C CB . SER A 1 5 ? -5.141 30.507 8.733 1.00 0.00 ? 5 SER A CB 1 ATOM 42 O OG . SER A 1 5 ? -5.922 31.016 9.800 1.00 0.00 ? 5 SER A OG 1 ATOM 43 H H . SER A 1 5 ? -3.747 29.016 10.456 1.00 0.00 ? 5 SER A H 1 ATOM 44 H HA . SER A 1 5 ? -6.049 28.569 8.689 1.00 0.00 ? 5 SER A HA 1 ATOM 45 H HB2 . SER A 1 5 ? -4.148 30.923 8.799 1.00 0.00 ? 5 SER A HB2 1 ATOM 46 H HB3 . SER A 1 5 ? -5.594 30.803 7.797 1.00 0.00 ? 5 SER A HB3 1 ATOM 47 H HG . SER A 1 5 ? -5.371 31.558 10.370 1.00 0.00 ? 5 SER A HG 1 ATOM 48 N N . SER A 1 6 ? -3.742 27.217 7.770 1.00 0.00 ? 6 SER A N 1 ATOM 49 C CA . SER A 1 6 ? -2.899 26.604 6.750 1.00 0.00 ? 6 SER A CA 1 ATOM 50 C C . SER A 1 6 ? -3.062 25.087 6.750 1.00 0.00 ? 6 SER A C 1 ATOM 51 O O . SER A 1 6 ? -3.767 24.528 7.589 1.00 0.00 ? 6 SER A O 1 ATOM 52 C CB . SER A 1 6 ? -1.432 26.971 6.983 1.00 0.00 ? 6 SER A CB 1 ATOM 53 O OG . SER A 1 6 ? -0.954 26.416 8.196 1.00 0.00 ? 6 SER A OG 1 ATOM 54 H H . SER A 1 6 ? -3.983 26.699 8.566 1.00 0.00 ? 6 SER A H 1 ATOM 55 H HA . SER A 1 6 ? -3.209 26.988 5.790 1.00 0.00 ? 6 SER A HA 1 ATOM 56 H HB2 . SER A 1 6 ? -0.835 26.591 6.168 1.00 0.00 ? 6 SER A HB2 1 ATOM 57 H HB3 . SER A 1 6 ? -1.335 28.046 7.029 1.00 0.00 ? 6 SER A HB3 1 ATOM 58 H HG . SER A 1 6 ? -1.223 25.496 8.256 1.00 0.00 ? 6 SER A HG 1 ATOM 59 N N . GLY A 1 7 ? -2.405 24.428 5.801 1.00 0.00 ? 7 GLY A N 1 ATOM 60 C CA . GLY A 1 7 ? -2.490 22.982 5.708 1.00 0.00 ? 7 GLY A CA 1 ATOM 61 C C . GLY A 1 7 ? -2.619 22.499 4.277 1.00 0.00 ? 7 GLY A C 1 ATOM 62 O O . GLY A 1 7 ? -3.233 23.165 3.443 1.00 0.00 ? 7 GLY A O 1 ATOM 63 H H . GLY A 1 7 ? -1.858 24.927 5.159 1.00 0.00 ? 7 GLY A H 1 ATOM 64 H HA2 . GLY A 1 7 ? -1.601 22.551 6.144 1.00 0.00 ? 7 GLY A HA2 1 ATOM 65 H HA3 . GLY A 1 7 ? -3.351 22.647 6.267 1.00 0.00 ? 7 GLY A HA3 1 ATOM 66 N N . MET A 1 8 ? -2.037 21.339 3.991 1.00 0.00 ? 8 MET A N 1 ATOM 67 C CA . MET A 1 8 ? -2.089 20.769 2.649 1.00 0.00 ? 8 MET A CA 1 ATOM 68 C C . MET A 1 8 ? -3.331 19.901 2.476 1.00 0.00 ? 8 MET A C 1 ATOM 69 O O . MET A 1 8 ? -3.234 18.727 2.120 1.00 0.00 ? 8 MET A O 1 ATOM 70 C CB . MET A 1 8 ? -0.832 19.942 2.374 1.00 0.00 ? 8 MET A CB 1 ATOM 71 C CG . MET A 1 8 ? -0.597 19.665 0.898 1.00 0.00 ? 8 MET A CG 1 ATOM 72 S SD . MET A 1 8 ? 0.212 21.038 0.055 1.00 0.00 ? 8 MET A SD 1 ATOM 73 C CE . MET A 1 8 ? 1.596 20.196 -0.711 1.00 0.00 ? 8 MET A CE 1 ATOM 74 H H . MET A 1 8 ? -1.561 20.854 4.697 1.00 0.00 ? 8 MET A H 1 ATOM 75 H HA . MET A 1 8 ? -2.133 21.585 1.944 1.00 0.00 ? 8 MET A HA 1 ATOM 76 H HB2 . MET A 1 8 ? 0.025 20.473 2.760 1.00 0.00 ? 8 MET A HB2 1 ATOM 77 H HB3 . MET A 1 8 ? -0.919 18.995 2.886 1.00 0.00 ? 8 MET A HB3 1 ATOM 78 H HG2 . MET A 1 8 ? 0.024 18.787 0.804 1.00 0.00 ? 8 MET A HG2 1 ATOM 79 H HG3 . MET A 1 8 ? -1.551 19.481 0.425 1.00 0.00 ? 8 MET A HG3 1 ATOM 80 H HE1 . MET A 1 8 ? 1.275 19.230 -1.071 1.00 0.00 ? 8 MET A HE1 1 ATOM 81 H HE2 . MET A 1 8 ? 1.963 20.786 -1.538 1.00 0.00 ? 8 MET A HE2 1 ATOM 82 H HE3 . MET A 1 8 ? 2.384 20.066 0.017 1.00 0.00 ? 8 MET A HE3 1 ATOM 83 N N . GLU A 1 9 ? -4.498 20.487 2.730 1.00 0.00 ? 9 GLU A N 1 ATOM 84 C CA . GLU A 1 9 ? -5.758 19.764 2.603 1.00 0.00 ? 9 GLU A CA 1 ATOM 85 C C . GLU A 1 9 ? -6.119 19.555 1.135 1.00 0.00 ? 9 GLU A C 1 ATOM 86 O O . GLU A 1 9 ? -6.876 20.332 0.554 1.00 0.00 ? 9 GLU A O 1 ATOM 87 C CB . GLU A 1 9 ? -6.881 20.524 3.312 1.00 0.00 ? 9 GLU A CB 1 ATOM 88 C CG . GLU A 1 9 ? -7.015 20.177 4.785 1.00 0.00 ? 9 GLU A CG 1 ATOM 89 C CD . GLU A 1 9 ? -8.340 20.623 5.372 1.00 0.00 ? 9 GLU A CD 1 ATOM 90 O OE1 . GLU A 1 9 ? -8.415 21.768 5.863 1.00 0.00 ? 9 GLU A OE1 1 ATOM 91 O OE2 . GLU A 1 9 ? -9.301 19.827 5.339 1.00 0.00 ? 9 GLU A OE2 1 ATOM 92 H H . GLU A 1 9 ? -4.510 21.426 3.010 1.00 0.00 ? 9 GLU A H 1 ATOM 93 H HA . GLU A 1 9 ? -5.636 18.800 3.072 1.00 0.00 ? 9 GLU A HA 1 ATOM 94 H HB2 . GLU A 1 9 ? -6.690 21.584 3.229 1.00 0.00 ? 9 GLU A HB2 1 ATOM 95 H HB3 . GLU A 1 9 ? -7.817 20.297 2.824 1.00 0.00 ? 9 GLU A HB3 1 ATOM 96 H HG2 . GLU A 1 9 ? -6.930 19.106 4.898 1.00 0.00 ? 9 GLU A HG2 1 ATOM 97 H HG3 . GLU A 1 9 ? -6.216 20.659 5.330 1.00 0.00 ? 9 GLU A HG3 1 ATOM 98 N N . GLY A 1 10 ? -5.570 18.500 0.541 1.00 0.00 ? 10 GLY A N 1 ATOM 99 C CA . GLY A 1 10 ? -5.845 18.207 -0.854 1.00 0.00 ? 10 GLY A CA 1 ATOM 100 C C . GLY A 1 10 ? -5.204 16.912 -1.312 1.00 0.00 ? 10 GLY A C 1 ATOM 101 O O . GLY A 1 10 ? -5.864 15.882 -1.450 1.00 0.00 ? 10 GLY A O 1 ATOM 102 H H . GLY A 1 10 ? -4.974 17.915 1.054 1.00 0.00 ? 10 GLY A H 1 ATOM 103 H HA2 . GLY A 1 10 ? -6.914 18.136 -0.991 1.00 0.00 ? 10 GLY A HA2 1 ATOM 104 H HA3 . GLY A 1 10 ? -5.467 19.016 -1.461 1.00 0.00 ? 10 GLY A HA3 1 ATOM 105 N N . PRO A 1 11 ? -3.886 16.954 -1.557 1.00 0.00 ? 11 PRO A N 1 ATOM 106 C CA . PRO A 1 11 ? -3.127 15.784 -2.007 1.00 0.00 ? 11 PRO A CA 1 ATOM 107 C C . PRO A 1 11 ? -2.989 14.728 -0.916 1.00 0.00 ? 11 PRO A C 1 ATOM 108 O O . PRO A 1 11 ? -2.549 13.607 -1.175 1.00 0.00 ? 11 PRO A O 1 ATOM 109 C CB . PRO A 1 11 ? -1.756 16.366 -2.364 1.00 0.00 ? 11 PRO A CB 1 ATOM 110 C CG . PRO A 1 11 ? -1.641 17.599 -1.535 1.00 0.00 ? 11 PRO A CG 1 ATOM 111 C CD . PRO A 1 11 ? -3.036 18.148 -1.413 1.00 0.00 ? 11 PRO A CD 1 ATOM 112 H HA . PRO A 1 11 ? -3.570 15.337 -2.885 1.00 0.00 ? 11 PRO A HA 1 ATOM 113 H HB2 . PRO A 1 11 ? -0.984 15.651 -2.119 1.00 0.00 ? 11 PRO A HB2 1 ATOM 114 H HB3 . PRO A 1 11 ? -1.722 16.595 -3.419 1.00 0.00 ? 11 PRO A HB3 1 ATOM 115 H HG2 . PRO A 1 11 ? -1.249 17.351 -0.561 1.00 0.00 ? 11 PRO A HG2 1 ATOM 116 H HG3 . PRO A 1 11 ? -0.999 18.313 -2.029 1.00 0.00 ? 11 PRO A HG3 1 ATOM 117 H HD2 . PRO A 1 11 ? -3.177 18.608 -0.447 1.00 0.00 ? 11 PRO A HD2 1 ATOM 118 H HD3 . PRO A 1 11 ? -3.232 18.858 -2.204 1.00 0.00 ? 11 PRO A HD3 1 ATOM 119 N N . LEU A 1 12 ? -3.367 15.091 0.304 1.00 0.00 ? 12 LEU A N 1 ATOM 120 C CA . LEU A 1 12 ? -3.287 14.174 1.435 1.00 0.00 ? 12 LEU A CA 1 ATOM 121 C C . LEU A 1 12 ? -4.481 13.226 1.454 1.00 0.00 ? 12 LEU A C 1 ATOM 122 O O . LEU A 1 12 ? -4.318 12.008 1.512 1.00 0.00 ? 12 LEU A O 1 ATOM 123 C CB . LEU A 1 12 ? -3.222 14.957 2.748 1.00 0.00 ? 12 LEU A CB 1 ATOM 124 C CG . LEU A 1 12 ? -1.954 15.780 2.977 1.00 0.00 ? 12 LEU A CG 1 ATOM 125 C CD1 . LEU A 1 12 ? -2.097 16.646 4.219 1.00 0.00 ? 12 LEU A CD1 1 ATOM 126 C CD2 . LEU A 1 12 ? -0.741 14.870 3.096 1.00 0.00 ? 12 LEU A CD2 1 ATOM 127 H H . LEU A 1 12 ? -3.709 15.998 0.449 1.00 0.00 ? 12 LEU A H 1 ATOM 128 H HA . LEU A 1 12 ? -2.383 13.593 1.327 1.00 0.00 ? 12 LEU A HA 1 ATOM 129 H HB2 . LEU A 1 12 ? -4.064 15.632 2.772 1.00 0.00 ? 12 LEU A HB2 1 ATOM 130 H HB3 . LEU A 1 12 ? -3.308 14.248 3.560 1.00 0.00 ? 12 LEU A HB3 1 ATOM 131 H HG . LEU A 1 12 ? -1.800 16.435 2.130 1.00 0.00 ? 12 LEU A HG 1 ATOM 132 H HD11 . LEU A 1 12 ? -2.371 16.027 5.060 1.00 0.00 ? 12 LEU A HD11 1 ATOM 133 H HD12 . LEU A 1 12 ? -2.864 17.389 4.054 1.00 0.00 ? 12 LEU A HD12 1 ATOM 134 H HD13 . LEU A 1 12 ? -1.158 17.139 4.424 1.00 0.00 ? 12 LEU A HD13 1 ATOM 135 H HD21 . LEU A 1 12 ? 0.047 15.235 2.454 1.00 0.00 ? 12 LEU A HD21 1 ATOM 136 H HD22 . LEU A 1 12 ? -1.013 13.867 2.798 1.00 0.00 ? 12 LEU A HD22 1 ATOM 137 H HD23 . LEU A 1 12 ? -0.397 14.861 4.120 1.00 0.00 ? 12 LEU A HD23 1 ATOM 138 N N . ASN A 1 13 ? -5.682 13.793 1.402 1.00 0.00 ? 13 ASN A N 1 ATOM 139 C CA . ASN A 1 13 ? -6.904 12.998 1.411 1.00 0.00 ? 13 ASN A CA 1 ATOM 140 C C . ASN A 1 13 ? -6.930 12.027 0.234 1.00 0.00 ? 13 ASN A C 1 ATOM 141 O O . ASN A 1 13 ? -7.264 10.852 0.392 1.00 0.00 ? 13 ASN A O 1 ATOM 142 C CB . ASN A 1 13 ? -8.131 13.910 1.361 1.00 0.00 ? 13 ASN A CB 1 ATOM 143 C CG . ASN A 1 13 ? -9.391 13.211 1.834 1.00 0.00 ? 13 ASN A CG 1 ATOM 144 O OD1 . ASN A 1 13 ? -9.624 12.045 1.515 1.00 0.00 ? 13 ASN A OD1 1 ATOM 145 N ND2 . ASN A 1 13 ? -10.211 13.923 2.598 1.00 0.00 ? 13 ASN A ND2 1 ATOM 146 H H . ASN A 1 13 ? -5.748 14.770 1.357 1.00 0.00 ? 13 ASN A H 1 ATOM 147 H HA . ASN A 1 13 ? -6.924 12.432 2.330 1.00 0.00 ? 13 ASN A HA 1 ATOM 148 H HB2 . ASN A 1 13 ? -7.960 14.768 1.994 1.00 0.00 ? 13 ASN A HB2 1 ATOM 149 H HB3 . ASN A 1 13 ? -8.285 14.242 0.345 1.00 0.00 ? 13 ASN A HB3 1 ATOM 150 H HD21 . ASN A 1 13 ? -9.961 14.846 2.811 1.00 0.00 ? 13 ASN A HD21 1 ATOM 151 H HD22 . ASN A 1 13 ? -11.033 13.495 2.918 1.00 0.00 ? 13 ASN A HD22 1 ATOM 152 N N . LEU A 1 14 ? -6.575 12.525 -0.945 1.00 0.00 ? 14 LEU A N 1 ATOM 153 C CA . LEU A 1 14 ? -6.556 11.702 -2.149 1.00 0.00 ? 14 LEU A CA 1 ATOM 154 C C . LEU A 1 14 ? -5.738 10.434 -1.929 1.00 0.00 ? 14 LEU A C 1 ATOM 155 O O . LEU A 1 14 ? -6.203 9.328 -2.206 1.00 0.00 ? 14 LEU A O 1 ATOM 156 C CB . LEU A 1 14 ? -5.981 12.496 -3.324 1.00 0.00 ? 14 LEU A CB 1 ATOM 157 C CG . LEU A 1 14 ? -6.984 13.321 -4.131 1.00 0.00 ? 14 LEU A CG 1 ATOM 158 C CD1 . LEU A 1 14 ? -6.262 14.213 -5.128 1.00 0.00 ? 14 LEU A CD1 1 ATOM 159 C CD2 . LEU A 1 14 ? -7.971 12.409 -4.846 1.00 0.00 ? 14 LEU A CD2 1 ATOM 160 H H . LEU A 1 14 ? -6.318 13.469 -1.008 1.00 0.00 ? 14 LEU A H 1 ATOM 161 H HA . LEU A 1 14 ? -7.574 11.425 -2.376 1.00 0.00 ? 14 LEU A HA 1 ATOM 162 H HB2 . LEU A 1 14 ? -5.236 13.172 -2.933 1.00 0.00 ? 14 LEU A HB2 1 ATOM 163 H HB3 . LEU A 1 14 ? -5.510 11.794 -3.997 1.00 0.00 ? 14 LEU A HB3 1 ATOM 164 H HG . LEU A 1 14 ? -7.542 13.957 -3.458 1.00 0.00 ? 14 LEU A HG 1 ATOM 165 H HD11 . LEU A 1 14 ? -6.948 14.951 -5.514 1.00 0.00 ? 14 LEU A HD11 1 ATOM 166 H HD12 . LEU A 1 14 ? -5.884 13.612 -5.942 1.00 0.00 ? 14 LEU A HD12 1 ATOM 167 H HD13 . LEU A 1 14 ? -5.438 14.709 -4.636 1.00 0.00 ? 14 LEU A HD13 1 ATOM 168 H HD21 . LEU A 1 14 ? -8.699 12.041 -4.138 1.00 0.00 ? 14 LEU A HD21 1 ATOM 169 H HD22 . LEU A 1 14 ? -7.440 11.575 -5.282 1.00 0.00 ? 14 LEU A HD22 1 ATOM 170 H HD23 . LEU A 1 14 ? -8.475 12.963 -5.624 1.00 0.00 ? 14 LEU A HD23 1 ATOM 171 N N . ALA A 1 15 ? -4.519 10.601 -1.428 1.00 0.00 ? 15 ALA A N 1 ATOM 172 C CA . ALA A 1 15 ? -3.638 9.470 -1.166 1.00 0.00 ? 15 ALA A CA 1 ATOM 173 C C . ALA A 1 15 ? -4.251 8.522 -0.141 1.00 0.00 ? 15 ALA A C 1 ATOM 174 O O . ALA A 1 15 ? -4.054 7.309 -0.206 1.00 0.00 ? 15 ALA A O 1 ATOM 175 C CB . ALA A 1 15 ? -2.278 9.958 -0.690 1.00 0.00 ? 15 ALA A CB 1 ATOM 176 H H . ALA A 1 15 ? -4.205 11.508 -1.228 1.00 0.00 ? 15 ALA A H 1 ATOM 177 H HA . ALA A 1 15 ? -3.497 8.936 -2.095 1.00 0.00 ? 15 ALA A HA 1 ATOM 178 H HB1 . ALA A 1 15 ? -1.704 9.120 -0.322 1.00 0.00 ? 15 ALA A HB1 1 ATOM 179 H HB2 . ALA A 1 15 ? -1.754 10.421 -1.513 1.00 0.00 ? 15 ALA A HB2 1 ATOM 180 H HB3 . ALA A 1 15 ? -2.412 10.679 0.103 1.00 0.00 ? 15 ALA A HB3 1 ATOM 181 N N . HIS A 1 16 ? -4.995 9.085 0.807 1.00 0.00 ? 16 HIS A N 1 ATOM 182 C CA . HIS A 1 16 ? -5.637 8.289 1.848 1.00 0.00 ? 16 HIS A CA 1 ATOM 183 C C . HIS A 1 16 ? -6.680 7.350 1.248 1.00 0.00 ? 16 HIS A C 1 ATOM 184 O O . HIS A 1 16 ? -6.799 6.197 1.661 1.00 0.00 ? 16 HIS A O 1 ATOM 185 C CB . HIS A 1 16 ? -6.291 9.201 2.886 1.00 0.00 ? 16 HIS A CB 1 ATOM 186 C CG . HIS A 1 16 ? -5.337 10.162 3.525 1.00 0.00 ? 16 HIS A CG 1 ATOM 187 N ND1 . HIS A 1 16 ? -5.743 11.186 4.355 1.00 0.00 ? 16 HIS A ND1 1 ATOM 188 C CD2 . HIS A 1 16 ? -3.988 10.249 3.455 1.00 0.00 ? 16 HIS A CD2 1 ATOM 189 C CE1 . HIS A 1 16 ? -4.685 11.862 4.766 1.00 0.00 ? 16 HIS A CE1 1 ATOM 190 N NE2 . HIS A 1 16 ? -3.607 11.314 4.234 1.00 0.00 ? 16 HIS A NE2 1 ATOM 191 H H . HIS A 1 16 ? -5.115 10.057 0.806 1.00 0.00 ? 16 HIS A H 1 ATOM 192 H HA . HIS A 1 16 ? -4.874 7.698 2.331 1.00 0.00 ? 16 HIS A HA 1 ATOM 193 H HB2 . HIS A 1 16 ? -7.071 9.777 2.409 1.00 0.00 ? 16 HIS A HB2 1 ATOM 194 H HB3 . HIS A 1 16 ? -6.726 8.594 3.667 1.00 0.00 ? 16 HIS A HB3 1 ATOM 195 H HD1 . HIS A 1 16 ? -6.668 11.388 4.604 1.00 0.00 ? 16 HIS A HD1 1 ATOM 196 H HD2 . HIS A 1 16 ? -3.332 9.602 2.890 1.00 0.00 ? 16 HIS A HD2 1 ATOM 197 H HE1 . HIS A 1 16 ? -4.698 12.718 5.424 1.00 0.00 ? 16 HIS A HE1 1 ATOM 198 H HE2 . HIS A 1 16 ? -2.698 11.671 4.306 1.00 0.00 ? 16 HIS A HE2 1 ATOM 199 N N . GLN A 1 17 ? -7.432 7.854 0.275 1.00 0.00 ? 17 GLN A N 1 ATOM 200 C CA . GLN A 1 17 ? -8.465 7.060 -0.380 1.00 0.00 ? 17 GLN A CA 1 ATOM 201 C C . GLN A 1 17 ? -7.905 5.723 -0.856 1.00 0.00 ? 17 GLN A C 1 ATOM 202 O O . GLN A 1 17 ? -8.578 4.696 -0.779 1.00 0.00 ? 17 GLN A O 1 ATOM 203 C CB . GLN A 1 17 ? -9.056 7.829 -1.562 1.00 0.00 ? 17 GLN A CB 1 ATOM 204 C CG . GLN A 1 17 ? -10.043 8.910 -1.152 1.00 0.00 ? 17 GLN A CG 1 ATOM 205 C CD . GLN A 1 17 ? -10.639 9.637 -2.341 1.00 0.00 ? 17 GLN A CD 1 ATOM 206 O OE1 . GLN A 1 17 ? -10.222 10.746 -2.678 1.00 0.00 ? 17 GLN A OE1 1 ATOM 207 N NE2 . GLN A 1 17 ? -11.620 9.016 -2.985 1.00 0.00 ? 17 GLN A NE2 1 ATOM 208 H H . GLN A 1 17 ? -7.288 8.780 -0.010 1.00 0.00 ? 17 GLN A H 1 ATOM 209 H HA . GLN A 1 17 ? -9.245 6.872 0.342 1.00 0.00 ? 17 GLN A HA 1 ATOM 210 H HB2 . GLN A 1 17 ? -8.252 8.295 -2.112 1.00 0.00 ? 17 GLN A HB2 1 ATOM 211 H HB3 . GLN A 1 17 ? -9.568 7.132 -2.209 1.00 0.00 ? 17 GLN A HB3 1 ATOM 212 H HG2 . GLN A 1 17 ? -10.845 8.454 -0.590 1.00 0.00 ? 17 GLN A HG2 1 ATOM 213 H HG3 . GLN A 1 17 ? -9.531 9.628 -0.529 1.00 0.00 ? 17 GLN A HG3 1 ATOM 214 H HE21 . GLN A 1 17 ? -11.901 8.135 -2.659 1.00 0.00 ? 17 GLN A HE21 1 ATOM 215 H HE22 . GLN A 1 17 ? -12.024 9.463 -3.756 1.00 0.00 ? 17 GLN A HE22 1 ATOM 216 N N . GLN A 1 18 ? -6.670 5.746 -1.348 1.00 0.00 ? 18 GLN A N 1 ATOM 217 C CA . GLN A 1 18 ? -6.021 4.536 -1.838 1.00 0.00 ? 18 GLN A CA 1 ATOM 218 C C . GLN A 1 18 ? -5.601 3.637 -0.679 1.00 0.00 ? 18 GLN A C 1 ATOM 219 O O . GLN A 1 18 ? -5.897 2.442 -0.670 1.00 0.00 ? 18 GLN A O 1 ATOM 220 C CB . GLN A 1 18 ? -4.802 4.895 -2.688 1.00 0.00 ? 18 GLN A CB 1 ATOM 221 C CG . GLN A 1 18 ? -5.075 5.980 -3.717 1.00 0.00 ? 18 GLN A CG 1 ATOM 222 C CD . GLN A 1 18 ? -4.145 5.900 -4.911 1.00 0.00 ? 18 GLN A CD 1 ATOM 223 O OE1 . GLN A 1 18 ? -3.155 6.627 -4.992 1.00 0.00 ? 18 GLN A OE1 1 ATOM 224 N NE2 . GLN A 1 18 ? -4.460 5.013 -5.848 1.00 0.00 ? 18 GLN A NE2 1 ATOM 225 H H . GLN A 1 18 ? -6.185 6.596 -1.383 1.00 0.00 ? 18 GLN A H 1 ATOM 226 H HA . GLN A 1 18 ? -6.732 4.003 -2.451 1.00 0.00 ? 18 GLN A HA 1 ATOM 227 H HB2 . GLN A 1 18 ? -4.011 5.236 -2.037 1.00 0.00 ? 18 GLN A HB2 1 ATOM 228 H HB3 . GLN A 1 18 ? -4.469 4.010 -3.211 1.00 0.00 ? 18 GLN A HB3 1 ATOM 229 H HG2 . GLN A 1 18 ? -6.093 5.881 -4.065 1.00 0.00 ? 18 GLN A HG2 1 ATOM 230 H HG3 . GLN A 1 18 ? -4.950 6.944 -3.245 1.00 0.00 ? 18 GLN A HG3 1 ATOM 231 H HE21 . GLN A 1 18 ? -5.265 4.469 -5.717 1.00 0.00 ? 18 GLN A HE21 1 ATOM 232 H HE22 . GLN A 1 18 ? -3.877 4.941 -6.631 1.00 0.00 ? 18 GLN A HE22 1 ATOM 233 N N . SER A 1 19 ? -4.910 4.219 0.295 1.00 0.00 ? 19 SER A N 1 ATOM 234 C CA . SER A 1 19 ? -4.445 3.469 1.456 1.00 0.00 ? 19 SER A CA 1 ATOM 235 C C . SER A 1 19 ? -5.465 2.408 1.861 1.00 0.00 ? 19 SER A C 1 ATOM 236 O O . SER A 1 19 ? -5.144 1.222 1.941 1.00 0.00 ? 19 SER A O 1 ATOM 237 C CB . SER A 1 19 ? -4.184 4.416 2.629 1.00 0.00 ? 19 SER A CB 1 ATOM 238 O OG . SER A 1 19 ? -3.637 3.718 3.735 1.00 0.00 ? 19 SER A OG 1 ATOM 239 H H . SER A 1 19 ? -4.705 5.175 0.230 1.00 0.00 ? 19 SER A H 1 ATOM 240 H HA . SER A 1 19 ? -3.521 2.980 1.187 1.00 0.00 ? 19 SER A HA 1 ATOM 241 H HB2 . SER A 1 19 ? -3.489 5.182 2.323 1.00 0.00 ? 19 SER A HB2 1 ATOM 242 H HB3 . SER A 1 19 ? -5.114 4.874 2.933 1.00 0.00 ? 19 SER A HB3 1 ATOM 243 H HG . SER A 1 19 ? -3.900 2.796 3.694 1.00 0.00 ? 19 SER A HG 1 ATOM 244 N N . ARG A 1 20 ? -6.694 2.845 2.116 1.00 0.00 ? 20 ARG A N 1 ATOM 245 C CA . ARG A 1 20 ? -7.761 1.934 2.513 1.00 0.00 ? 20 ARG A CA 1 ATOM 246 C C . ARG A 1 20 ? -7.749 0.674 1.653 1.00 0.00 ? 20 ARG A C 1 ATOM 247 O O . ARG A 1 20 ? -7.645 -0.440 2.166 1.00 0.00 ? 20 ARG A O 1 ATOM 248 C CB . ARG A 1 20 ? -9.120 2.628 2.403 1.00 0.00 ? 20 ARG A CB 1 ATOM 249 C CG . ARG A 1 20 ? -9.295 3.782 3.376 1.00 0.00 ? 20 ARG A CG 1 ATOM 250 C CD . ARG A 1 20 ? -9.452 3.287 4.806 1.00 0.00 ? 20 ARG A CD 1 ATOM 251 N NE . ARG A 1 20 ? -10.723 2.596 5.009 1.00 0.00 ? 20 ARG A NE 1 ATOM 252 C CZ . ARG A 1 20 ? -11.873 3.222 5.230 1.00 0.00 ? 20 ARG A CZ 1 ATOM 253 N NH1 . ARG A 1 20 ? -11.912 4.547 5.275 1.00 0.00 ? 20 ARG A NH1 1 ATOM 254 N NH2 . ARG A 1 20 ? -12.987 2.524 5.405 1.00 0.00 ? 20 ARG A NH2 1 ATOM 255 H H . ARG A 1 20 ? -6.888 3.802 2.035 1.00 0.00 ? 20 ARG A H 1 ATOM 256 H HA . ARG A 1 20 ? -7.592 1.654 3.542 1.00 0.00 ? 20 ARG A HA 1 ATOM 257 H HB2 . ARG A 1 20 ? -9.235 3.011 1.400 1.00 0.00 ? 20 ARG A HB2 1 ATOM 258 H HB3 . ARG A 1 20 ? -9.897 1.903 2.595 1.00 0.00 ? 20 ARG A HB3 1 ATOM 259 H HG2 . ARG A 1 20 ? -8.426 4.421 3.322 1.00 0.00 ? 20 ARG A HG2 1 ATOM 260 H HG3 . ARG A 1 20 ? -10.175 4.343 3.100 1.00 0.00 ? 20 ARG A HG3 1 ATOM 261 H HD2 . ARG A 1 20 ? -8.644 2.606 5.028 1.00 0.00 ? 20 ARG A HD2 1 ATOM 262 H HD3 . ARG A 1 20 ? -9.403 4.134 5.473 1.00 0.00 ? 20 ARG A HD3 1 ATOM 263 H HE . ARG A 1 20 ? -10.716 1.617 4.979 1.00 0.00 ? 20 ARG A HE 1 ATOM 264 H HH11 . ARG A 1 20 ? -11.074 5.076 5.142 1.00 0.00 ? 20 ARG A HH11 1 ATOM 265 H HH12 . ARG A 1 20 ? -12.780 5.016 5.441 1.00 0.00 ? 20 ARG A HH12 1 ATOM 266 H HH21 . ARG A 1 20 ? -12.962 1.525 5.372 1.00 0.00 ? 20 ARG A HH21 1 ATOM 267 H HH22 . ARG A 1 20 ? -13.852 2.996 5.572 1.00 0.00 ? 20 ARG A HH22 1 ATOM 268 N N . ARG A 1 21 ? -7.858 0.859 0.341 1.00 0.00 ? 21 ARG A N 1 ATOM 269 C CA . ARG A 1 21 ? -7.862 -0.262 -0.591 1.00 0.00 ? 21 ARG A CA 1 ATOM 270 C C . ARG A 1 21 ? -6.744 -1.248 -0.261 1.00 0.00 ? 21 ARG A C 1 ATOM 271 O O . ARG A 1 21 ? -6.993 -2.434 -0.046 1.00 0.00 ? 21 ARG A O 1 ATOM 272 C CB . ARG A 1 21 ? -7.705 0.240 -2.027 1.00 0.00 ? 21 ARG A CB 1 ATOM 273 C CG . ARG A 1 21 ? -7.732 -0.868 -3.067 1.00 0.00 ? 21 ARG A CG 1 ATOM 274 C CD . ARG A 1 21 ? -7.892 -0.311 -4.472 1.00 0.00 ? 21 ARG A CD 1 ATOM 275 N NE . ARG A 1 21 ? -7.989 -1.369 -5.474 1.00 0.00 ? 21 ARG A NE 1 ATOM 276 C CZ . ARG A 1 21 ? -9.125 -1.984 -5.786 1.00 0.00 ? 21 ARG A CZ 1 ATOM 277 N NH1 . ARG A 1 21 ? -10.254 -1.646 -5.178 1.00 0.00 ? 21 ARG A NH1 1 ATOM 278 N NH2 . ARG A 1 21 ? -9.132 -2.938 -6.708 1.00 0.00 ? 21 ARG A NH2 1 ATOM 279 H H . ARG A 1 21 ? -7.938 1.771 -0.009 1.00 0.00 ? 21 ARG A H 1 ATOM 280 H HA . ARG A 1 21 ? -8.811 -0.768 -0.498 1.00 0.00 ? 21 ARG A HA 1 ATOM 281 H HB2 . ARG A 1 21 ? -8.509 0.928 -2.246 1.00 0.00 ? 21 ARG A HB2 1 ATOM 282 H HB3 . ARG A 1 21 ? -6.763 0.761 -2.113 1.00 0.00 ? 21 ARG A HB3 1 ATOM 283 H HG2 . ARG A 1 21 ? -6.805 -1.421 -3.015 1.00 0.00 ? 21 ARG A HG2 1 ATOM 284 H HG3 . ARG A 1 21 ? -8.559 -1.529 -2.854 1.00 0.00 ? 21 ARG A HG3 1 ATOM 285 H HD2 . ARG A 1 21 ? -8.791 0.288 -4.507 1.00 0.00 ? 21 ARG A HD2 1 ATOM 286 H HD3 . ARG A 1 21 ? -7.038 0.310 -4.699 1.00 0.00 ? 21 ARG A HD3 1 ATOM 287 H HE . ARG A 1 21 ? -7.167 -1.634 -5.935 1.00 0.00 ? 21 ARG A HE 1 ATOM 288 H HH11 . ARG A 1 21 ? -10.251 -0.927 -4.484 1.00 0.00 ? 21 ARG A HH11 1 ATOM 289 H HH12 . ARG A 1 21 ? -11.108 -2.109 -5.416 1.00 0.00 ? 21 ARG A HH12 1 ATOM 290 H HH21 . ARG A 1 21 ? -8.283 -3.195 -7.168 1.00 0.00 ? 21 ARG A HH21 1 ATOM 291 H HH22 . ARG A 1 21 ? -9.987 -3.400 -6.942 1.00 0.00 ? 21 ARG A HH22 1 ATOM 292 N N . ALA A 1 22 ? -5.514 -0.748 -0.222 1.00 0.00 ? 22 ALA A N 1 ATOM 293 C CA . ALA A 1 22 ? -4.359 -1.583 0.083 1.00 0.00 ? 22 ALA A CA 1 ATOM 294 C C . ALA A 1 22 ? -4.600 -2.415 1.338 1.00 0.00 ? 22 ALA A C 1 ATOM 295 O O . ALA A 1 22 ? -4.276 -3.602 1.379 1.00 0.00 ? 22 ALA A O 1 ATOM 296 C CB . ALA A 1 22 ? -3.115 -0.723 0.249 1.00 0.00 ? 22 ALA A CB 1 ATOM 297 H H . ALA A 1 22 ? -5.379 0.206 -0.402 1.00 0.00 ? 22 ALA A H 1 ATOM 298 H HA . ALA A 1 22 ? -4.198 -2.249 -0.753 1.00 0.00 ? 22 ALA A HA 1 ATOM 299 H HB1 . ALA A 1 22 ? -3.202 -0.135 1.151 1.00 0.00 ? 22 ALA A HB1 1 ATOM 300 H HB2 . ALA A 1 22 ? -2.244 -1.359 0.316 1.00 0.00 ? 22 ALA A HB2 1 ATOM 301 H HB3 . ALA A 1 22 ? -3.016 -0.066 -0.602 1.00 0.00 ? 22 ALA A HB3 1 ATOM 302 N N . ASP A 1 23 ? -5.169 -1.786 2.360 1.00 0.00 ? 23 ASP A N 1 ATOM 303 C CA . ASP A 1 23 ? -5.454 -2.469 3.616 1.00 0.00 ? 23 ASP A CA 1 ATOM 304 C C . ASP A 1 23 ? -6.491 -3.569 3.414 1.00 0.00 ? 23 ASP A C 1 ATOM 305 O O . ASP A 1 23 ? -6.276 -4.717 3.802 1.00 0.00 ? 23 ASP A O 1 ATOM 306 C CB . ASP A 1 23 ? -5.950 -1.470 4.663 1.00 0.00 ? 23 ASP A CB 1 ATOM 307 C CG . ASP A 1 23 ? -4.813 -0.800 5.409 1.00 0.00 ? 23 ASP A CG 1 ATOM 308 O OD1 . ASP A 1 23 ? -4.317 0.239 4.926 1.00 0.00 ? 23 ASP A OD1 1 ATOM 309 O OD2 . ASP A 1 23 ? -4.420 -1.315 6.476 1.00 0.00 ? 23 ASP A OD2 1 ATOM 310 H H . ASP A 1 23 ? -5.405 -0.838 2.266 1.00 0.00 ? 23 ASP A H 1 ATOM 311 H HA . ASP A 1 23 ? -4.536 -2.916 3.966 1.00 0.00 ? 23 ASP A HA 1 ATOM 312 H HB2 . ASP A 1 23 ? -6.534 -0.705 4.173 1.00 0.00 ? 23 ASP A HB2 1 ATOM 313 H HB3 . ASP A 1 23 ? -6.571 -1.988 5.379 1.00 0.00 ? 23 ASP A HB3 1 ATOM 314 N N . ARG A 1 24 ? -7.616 -3.210 2.804 1.00 0.00 ? 24 ARG A N 1 ATOM 315 C CA . ARG A 1 24 ? -8.687 -4.167 2.552 1.00 0.00 ? 24 ARG A CA 1 ATOM 316 C C . ARG A 1 24 ? -8.177 -5.352 1.738 1.00 0.00 ? 24 ARG A C 1 ATOM 317 O O . ARG A 1 24 ? -8.692 -6.465 1.852 1.00 0.00 ? 24 ARG A O 1 ATOM 318 C CB . ARG A 1 24 ? -9.843 -3.488 1.815 1.00 0.00 ? 24 ARG A CB 1 ATOM 319 C CG . ARG A 1 24 ? -10.448 -2.319 2.576 1.00 0.00 ? 24 ARG A CG 1 ATOM 320 C CD . ARG A 1 24 ? -11.231 -2.790 3.791 1.00 0.00 ? 24 ARG A CD 1 ATOM 321 N NE . ARG A 1 24 ? -12.336 -1.891 4.113 1.00 0.00 ? 24 ARG A NE 1 ATOM 322 C CZ . ARG A 1 24 ? -13.508 -1.914 3.488 1.00 0.00 ? 24 ARG A CZ 1 ATOM 323 N NH1 . ARG A 1 24 ? -13.726 -2.786 2.513 1.00 0.00 ? 24 ARG A NH1 1 ATOM 324 N NH2 . ARG A 1 24 ? -14.464 -1.064 3.838 1.00 0.00 ? 24 ARG A NH2 1 ATOM 325 H H . ARG A 1 24 ? -7.729 -2.280 2.517 1.00 0.00 ? 24 ARG A H 1 ATOM 326 H HA . ARG A 1 24 ? -9.042 -4.527 3.506 1.00 0.00 ? 24 ARG A HA 1 ATOM 327 H HB2 . ARG A 1 24 ? -9.484 -3.122 0.864 1.00 0.00 ? 24 ARG A HB2 1 ATOM 328 H HB3 . ARG A 1 24 ? -10.620 -4.217 1.641 1.00 0.00 ? 24 ARG A HB3 1 ATOM 329 H HG2 . ARG A 1 24 ? -9.653 -1.666 2.905 1.00 0.00 ? 24 ARG A HG2 1 ATOM 330 H HG3 . ARG A 1 24 ? -11.112 -1.778 1.918 1.00 0.00 ? 24 ARG A HG3 1 ATOM 331 H HD2 . ARG A 1 24 ? -11.627 -3.774 3.588 1.00 0.00 ? 24 ARG A HD2 1 ATOM 332 H HD3 . ARG A 1 24 ? -10.561 -2.840 4.637 1.00 0.00 ? 24 ARG A HD3 1 ATOM 333 H HE . ARG A 1 24 ? -12.196 -1.239 4.830 1.00 0.00 ? 24 ARG A HE 1 ATOM 334 H HH11 . ARG A 1 24 ? -13.007 -3.429 2.248 1.00 0.00 ? 24 ARG A HH11 1 ATOM 335 H HH12 . ARG A 1 24 ? -14.610 -2.802 2.045 1.00 0.00 ? 24 ARG A HH12 1 ATOM 336 H HH21 . ARG A 1 24 ? -14.303 -0.405 4.572 1.00 0.00 ? 24 ARG A HH21 1 ATOM 337 H HH22 . ARG A 1 24 ? -15.346 -1.082 3.367 1.00 0.00 ? 24 ARG A HH22 1 ATOM 338 N N . LEU A 1 25 ? -7.163 -5.106 0.916 1.00 0.00 ? 25 LEU A N 1 ATOM 339 C CA . LEU A 1 25 ? -6.583 -6.153 0.081 1.00 0.00 ? 25 LEU A CA 1 ATOM 340 C C . LEU A 1 25 ? -5.657 -7.048 0.897 1.00 0.00 ? 25 LEU A C 1 ATOM 341 O O . LEU A 1 25 ? -5.657 -8.270 0.738 1.00 0.00 ? 25 LEU A O 1 ATOM 342 C CB . LEU A 1 25 ? -5.814 -5.533 -1.087 1.00 0.00 ? 25 LEU A CB 1 ATOM 343 C CG . LEU A 1 25 ? -6.662 -4.869 -2.172 1.00 0.00 ? 25 LEU A CG 1 ATOM 344 C CD1 . LEU A 1 25 ? -5.853 -3.815 -2.911 1.00 0.00 ? 25 LEU A CD1 1 ATOM 345 C CD2 . LEU A 1 25 ? -7.196 -5.912 -3.143 1.00 0.00 ? 25 LEU A CD2 1 ATOM 346 H H . LEU A 1 25 ? -6.795 -4.199 0.868 1.00 0.00 ? 25 LEU A H 1 ATOM 347 H HA . LEU A 1 25 ? -7.392 -6.752 -0.308 1.00 0.00 ? 25 LEU A HA 1 ATOM 348 H HB2 . LEU A 1 25 ? -5.148 -4.786 -0.684 1.00 0.00 ? 25 LEU A HB2 1 ATOM 349 H HB3 . LEU A 1 25 ? -5.233 -6.317 -1.552 1.00 0.00 ? 25 LEU A HB3 1 ATOM 350 H HG . LEU A 1 25 ? -7.507 -4.378 -1.710 1.00 0.00 ? 25 LEU A HG 1 ATOM 351 H HD11 . LEU A 1 25 ? -5.018 -4.285 -3.409 1.00 0.00 ? 25 LEU A HD11 1 ATOM 352 H HD12 . LEU A 1 25 ? -5.486 -3.083 -2.206 1.00 0.00 ? 25 LEU A HD12 1 ATOM 353 H HD13 . LEU A 1 25 ? -6.481 -3.327 -3.642 1.00 0.00 ? 25 LEU A HD13 1 ATOM 354 H HD21 . LEU A 1 25 ? -6.694 -5.808 -4.094 1.00 0.00 ? 25 LEU A HD21 1 ATOM 355 H HD22 . LEU A 1 25 ? -8.258 -5.766 -3.280 1.00 0.00 ? 25 LEU A HD22 1 ATOM 356 H HD23 . LEU A 1 25 ? -7.016 -6.900 -2.746 1.00 0.00 ? 25 LEU A HD23 1 ATOM 357 N N . LEU A 1 26 ? -4.869 -6.434 1.773 1.00 0.00 ? 26 LEU A N 1 ATOM 358 C CA . LEU A 1 26 ? -3.939 -7.176 2.617 1.00 0.00 ? 26 LEU A CA 1 ATOM 359 C C . LEU A 1 26 ? -4.666 -8.257 3.411 1.00 0.00 ? 26 LEU A C 1 ATOM 360 O O . LEU A 1 26 ? -4.187 -9.384 3.527 1.00 0.00 ? 26 LEU A O 1 ATOM 361 C CB . LEU A 1 26 ? -3.216 -6.225 3.572 1.00 0.00 ? 26 LEU A CB 1 ATOM 362 C CG . LEU A 1 26 ? -2.675 -6.849 4.859 1.00 0.00 ? 26 LEU A CG 1 ATOM 363 C CD1 . LEU A 1 26 ? -1.573 -7.849 4.545 1.00 0.00 ? 26 LEU A CD1 1 ATOM 364 C CD2 . LEU A 1 26 ? -2.164 -5.769 5.802 1.00 0.00 ? 26 LEU A CD2 1 ATOM 365 H H . LEU A 1 26 ? -4.913 -5.459 1.855 1.00 0.00 ? 26 LEU A H 1 ATOM 366 H HA . LEU A 1 26 ? -3.211 -7.648 1.973 1.00 0.00 ? 26 LEU A HA 1 ATOM 367 H HB2 . LEU A 1 26 ? -2.383 -5.792 3.040 1.00 0.00 ? 26 LEU A HB2 1 ATOM 368 H HB3 . LEU A 1 26 ? -3.910 -5.444 3.848 1.00 0.00 ? 26 LEU A HB3 1 ATOM 369 H HG . LEU A 1 26 ? -3.474 -7.379 5.358 1.00 0.00 ? 26 LEU A HG 1 ATOM 370 H HD11 . LEU A 1 26 ? -1.072 -8.131 5.459 1.00 0.00 ? 26 LEU A HD11 1 ATOM 371 H HD12 . LEU A 1 26 ? -0.862 -7.401 3.868 1.00 0.00 ? 26 LEU A HD12 1 ATOM 372 H HD13 . LEU A 1 26 ? -2.004 -8.726 4.085 1.00 0.00 ? 26 LEU A HD13 1 ATOM 373 H HD21 . LEU A 1 26 ? -2.991 -5.368 6.370 1.00 0.00 ? 26 LEU A HD21 1 ATOM 374 H HD22 . LEU A 1 26 ? -1.705 -4.977 5.227 1.00 0.00 ? 26 LEU A HD22 1 ATOM 375 H HD23 . LEU A 1 26 ? -1.436 -6.194 6.476 1.00 0.00 ? 26 LEU A HD23 1 ATOM 376 N N . ALA A 1 27 ? -5.827 -7.904 3.954 1.00 0.00 ? 27 ALA A N 1 ATOM 377 C CA . ALA A 1 27 ? -6.623 -8.844 4.733 1.00 0.00 ? 27 ALA A CA 1 ATOM 378 C C . ALA A 1 27 ? -7.068 -10.026 3.879 1.00 0.00 ? 27 ALA A C 1 ATOM 379 O O . ALA A 1 27 ? -7.181 -11.150 4.368 1.00 0.00 ? 27 ALA A O 1 ATOM 380 C CB . ALA A 1 27 ? -7.830 -8.141 5.335 1.00 0.00 ? 27 ALA A CB 1 ATOM 381 H H . ALA A 1 27 ? -6.156 -6.990 3.826 1.00 0.00 ? 27 ALA A H 1 ATOM 382 H HA . ALA A 1 27 ? -6.009 -9.210 5.544 1.00 0.00 ? 27 ALA A HA 1 ATOM 383 H HB1 . ALA A 1 27 ? -8.716 -8.734 5.159 1.00 0.00 ? 27 ALA A HB1 1 ATOM 384 H HB2 . ALA A 1 27 ? -7.684 -8.020 6.398 1.00 0.00 ? 27 ALA A HB2 1 ATOM 385 H HB3 . ALA A 1 27 ? -7.948 -7.171 4.875 1.00 0.00 ? 27 ALA A HB3 1 ATOM 386 N N . ALA A 1 28 ? -7.320 -9.765 2.601 1.00 0.00 ? 28 ALA A N 1 ATOM 387 C CA . ALA A 1 28 ? -7.752 -10.808 1.678 1.00 0.00 ? 28 ALA A CA 1 ATOM 388 C C . ALA A 1 28 ? -6.556 -11.523 1.059 1.00 0.00 ? 28 ALA A C 1 ATOM 389 O O . ALA A 1 28 ? -6.707 -12.316 0.132 1.00 0.00 ? 28 ALA A O 1 ATOM 390 C CB . ALA A 1 28 ? -8.637 -10.217 0.591 1.00 0.00 ? 28 ALA A CB 1 ATOM 391 H H . ALA A 1 28 ? -7.212 -8.849 2.270 1.00 0.00 ? 28 ALA A H 1 ATOM 392 H HA . ALA A 1 28 ? -8.338 -11.524 2.236 1.00 0.00 ? 28 ALA A HA 1 ATOM 393 H HB1 . ALA A 1 28 ? -9.065 -11.016 0.002 1.00 0.00 ? 28 ALA A HB1 1 ATOM 394 H HB2 . ALA A 1 28 ? -9.429 -9.641 1.045 1.00 0.00 ? 28 ALA A HB2 1 ATOM 395 H HB3 . ALA A 1 28 ? -8.045 -9.578 -0.047 1.00 0.00 ? 28 ALA A HB3 1 ATOM 396 N N . GLY A 1 29 ? -5.366 -11.236 1.580 1.00 0.00 ? 29 GLY A N 1 ATOM 397 C CA . GLY A 1 29 ? -4.161 -11.859 1.065 1.00 0.00 ? 29 GLY A CA 1 ATOM 398 C C . GLY A 1 29 ? -3.781 -11.340 -0.308 1.00 0.00 ? 29 GLY A C 1 ATOM 399 O O . GLY A 1 29 ? -2.884 -11.879 -0.957 1.00 0.00 ? 29 GLY A O 1 ATOM 400 H H . GLY A 1 29 ? -5.306 -10.595 2.319 1.00 0.00 ? 29 GLY A H 1 ATOM 401 H HA2 . GLY A 1 29 ? -3.349 -11.667 1.749 1.00 0.00 ? 29 GLY A HA2 1 ATOM 402 H HA3 . GLY A 1 29 ? -4.320 -12.926 1.002 1.00 0.00 ? 29 GLY A HA3 1 ATOM 403 N N . LYS A 1 30 ? -4.465 -10.292 -0.753 1.00 0.00 ? 30 LYS A N 1 ATOM 404 C CA . LYS A 1 30 ? -4.195 -9.699 -2.057 1.00 0.00 ? 30 LYS A CA 1 ATOM 405 C C . LYS A 1 30 ? -2.997 -8.757 -1.990 1.00 0.00 ? 30 LYS A C 1 ATOM 406 O O . LYS A 1 30 ? -3.021 -7.665 -2.558 1.00 0.00 ? 30 LYS A O 1 ATOM 407 C CB . LYS A 1 30 ? -5.426 -8.940 -2.560 1.00 0.00 ? 30 LYS A CB 1 ATOM 408 C CG . LYS A 1 30 ? -6.604 -9.841 -2.888 1.00 0.00 ? 30 LYS A CG 1 ATOM 409 C CD . LYS A 1 30 ? -6.396 -10.576 -4.201 1.00 0.00 ? 30 LYS A CD 1 ATOM 410 C CE . LYS A 1 30 ? -7.721 -10.956 -4.843 1.00 0.00 ? 30 LYS A CE 1 ATOM 411 N NZ . LYS A 1 30 ? -7.574 -12.101 -5.784 1.00 0.00 ? 30 LYS A NZ 1 ATOM 412 H H . LYS A 1 30 ? -5.169 -9.906 -0.189 1.00 0.00 ? 30 LYS A H 1 ATOM 413 H HA . LYS A 1 30 ? -3.971 -10.500 -2.745 1.00 0.00 ? 30 LYS A HA 1 ATOM 414 H HB2 . LYS A 1 30 ? -5.737 -8.239 -1.800 1.00 0.00 ? 30 LYS A HB2 1 ATOM 415 H HB3 . LYS A 1 30 ? -5.158 -8.395 -3.453 1.00 0.00 ? 30 LYS A HB3 1 ATOM 416 H HG2 . LYS A 1 30 ? -6.721 -10.567 -2.097 1.00 0.00 ? 30 LYS A HG2 1 ATOM 417 H HG3 . LYS A 1 30 ? -7.498 -9.238 -2.960 1.00 0.00 ? 30 LYS A HG3 1 ATOM 418 H HD2 . LYS A 1 30 ? -5.851 -9.936 -4.880 1.00 0.00 ? 30 LYS A HD2 1 ATOM 419 H HD3 . LYS A 1 30 ? -5.825 -11.474 -4.015 1.00 0.00 ? 30 LYS A HD3 1 ATOM 420 H HE2 . LYS A 1 30 ? -8.418 -11.229 -4.065 1.00 0.00 ? 30 LYS A HE2 1 ATOM 421 H HE3 . LYS A 1 30 ? -8.102 -10.103 -5.385 1.00 0.00 ? 30 LYS A HE3 1 ATOM 422 H HZ1 . LYS A 1 30 ? -6.570 -12.357 -5.880 1.00 0.00 ? 30 LYS A HZ1 1 ATOM 423 H HZ2 . LYS A 1 30 ? -7.945 -11.844 -6.721 1.00 0.00 ? 30 LYS A HZ2 1 ATOM 424 H HZ3 . LYS A 1 30 ? -8.098 -12.926 -5.429 1.00 0.00 ? 30 LYS A HZ3 1 ATOM 425 N N . TYR A 1 31 ? -1.951 -9.188 -1.294 1.00 0.00 ? 31 TYR A N 1 ATOM 426 C CA . TYR A 1 31 ? -0.744 -8.383 -1.152 1.00 0.00 ? 31 TYR A CA 1 ATOM 427 C C . TYR A 1 31 ? -0.426 -7.644 -2.448 1.00 0.00 ? 31 TYR A C 1 ATOM 428 O O . TYR A 1 31 ? -0.485 -6.416 -2.505 1.00 0.00 ? 31 TYR A O 1 ATOM 429 C CB . TYR A 1 31 ? 0.440 -9.266 -0.753 1.00 0.00 ? 31 TYR A CB 1 ATOM 430 C CG . TYR A 1 31 ? 0.211 -10.042 0.525 1.00 0.00 ? 31 TYR A CG 1 ATOM 431 C CD1 . TYR A 1 31 ? 0.377 -9.440 1.766 1.00 0.00 ? 31 TYR A CD1 1 ATOM 432 C CD2 . TYR A 1 31 ? -0.168 -11.378 0.490 1.00 0.00 ? 31 TYR A CD2 1 ATOM 433 C CE1 . TYR A 1 31 ? 0.170 -10.146 2.935 1.00 0.00 ? 31 TYR A CE1 1 ATOM 434 C CE2 . TYR A 1 31 ? -0.378 -12.092 1.654 1.00 0.00 ? 31 TYR A CE2 1 ATOM 435 C CZ . TYR A 1 31 ? -0.208 -11.471 2.874 1.00 0.00 ? 31 TYR A CZ 1 ATOM 436 O OH . TYR A 1 31 ? -0.415 -12.178 4.036 1.00 0.00 ? 31 TYR A OH 1 ATOM 437 H H . TYR A 1 31 ? -1.992 -10.067 -0.864 1.00 0.00 ? 31 TYR A H 1 ATOM 438 H HA . TYR A 1 31 ? -0.919 -7.657 -0.371 1.00 0.00 ? 31 TYR A HA 1 ATOM 439 H HB2 . TYR A 1 31 ? 0.633 -9.976 -1.542 1.00 0.00 ? 31 TYR A HB2 1 ATOM 440 H HB3 . TYR A 1 31 ? 1.312 -8.645 -0.612 1.00 0.00 ? 31 TYR A HB3 1 ATOM 441 H HD1 . TYR A 1 31 ? 0.673 -8.402 1.810 1.00 0.00 ? 31 TYR A HD1 1 ATOM 442 H HD2 . TYR A 1 31 ? -0.301 -11.861 -0.467 1.00 0.00 ? 31 TYR A HD2 1 ATOM 443 H HE1 . TYR A 1 31 ? 0.303 -9.661 3.891 1.00 0.00 ? 31 TYR A HE1 1 ATOM 444 H HE2 . TYR A 1 31 ? -0.674 -13.129 1.607 1.00 0.00 ? 31 TYR A HE2 1 ATOM 445 H HH . TYR A 1 31 ? -1.267 -11.940 4.408 1.00 0.00 ? 31 TYR A HH 1 ATOM 446 N N . GLU A 1 32 ? -0.091 -8.402 -3.487 1.00 0.00 ? 32 GLU A N 1 ATOM 447 C CA . GLU A 1 32 ? 0.236 -7.819 -4.784 1.00 0.00 ? 32 GLU A CA 1 ATOM 448 C C . GLU A 1 32 ? -0.623 -6.589 -5.059 1.00 0.00 ? 32 GLU A C 1 ATOM 449 O O . GLU A 1 32 ? -0.105 -5.491 -5.263 1.00 0.00 ? 32 GLU A O 1 ATOM 450 C CB . GLU A 1 32 ? 0.040 -8.852 -5.896 1.00 0.00 ? 32 GLU A CB 1 ATOM 451 C CG . GLU A 1 32 ? 0.592 -8.410 -7.241 1.00 0.00 ? 32 GLU A CG 1 ATOM 452 C CD . GLU A 1 32 ? -0.365 -7.508 -7.996 1.00 0.00 ? 32 GLU A CD 1 ATOM 453 O OE1 . GLU A 1 32 ? -1.582 -7.783 -7.975 1.00 0.00 ? 32 GLU A OE1 1 ATOM 454 O OE2 . GLU A 1 32 ? 0.105 -6.527 -8.610 1.00 0.00 ? 32 GLU A OE2 1 ATOM 455 H H . GLU A 1 32 ? -0.062 -9.375 -3.380 1.00 0.00 ? 32 GLU A H 1 ATOM 456 H HA . GLU A 1 32 ? 1.274 -7.521 -4.761 1.00 0.00 ? 32 GLU A HA 1 ATOM 457 H HB2 . GLU A 1 32 ? 0.534 -9.769 -5.610 1.00 0.00 ? 32 GLU A HB2 1 ATOM 458 H HB3 . GLU A 1 32 ? -1.017 -9.043 -6.010 1.00 0.00 ? 32 GLU A HB3 1 ATOM 459 H HG2 . GLU A 1 32 ? 1.515 -7.874 -7.078 1.00 0.00 ? 32 GLU A HG2 1 ATOM 460 H HG3 . GLU A 1 32 ? 0.788 -9.287 -7.841 1.00 0.00 ? 32 GLU A HG3 1 ATOM 461 N N . GLU A 1 33 ? -1.938 -6.782 -5.064 1.00 0.00 ? 33 GLU A N 1 ATOM 462 C CA . GLU A 1 33 ? -2.869 -5.688 -5.316 1.00 0.00 ? 33 GLU A CA 1 ATOM 463 C C . GLU A 1 33 ? -2.531 -4.476 -4.453 1.00 0.00 ? 33 GLU A C 1 ATOM 464 O O . GLU A 1 33 ? -2.539 -3.341 -4.929 1.00 0.00 ? 33 GLU A O 1 ATOM 465 C CB . GLU A 1 33 ? -4.306 -6.138 -5.042 1.00 0.00 ? 33 GLU A CB 1 ATOM 466 C CG . GLU A 1 33 ? -4.769 -7.274 -5.938 1.00 0.00 ? 33 GLU A CG 1 ATOM 467 C CD . GLU A 1 33 ? -6.268 -7.260 -6.170 1.00 0.00 ? 33 GLU A CD 1 ATOM 468 O OE1 . GLU A 1 33 ? -6.773 -6.263 -6.727 1.00 0.00 ? 33 GLU A OE1 1 ATOM 469 O OE2 . GLU A 1 33 ? -6.935 -8.247 -5.794 1.00 0.00 ? 33 GLU A OE2 1 ATOM 470 H H . GLU A 1 33 ? -2.291 -7.680 -4.894 1.00 0.00 ? 33 GLU A H 1 ATOM 471 H HA . GLU A 1 33 ? -2.781 -5.411 -6.356 1.00 0.00 ? 33 GLU A HA 1 ATOM 472 H HB2 . GLU A 1 33 ? -4.378 -6.464 -4.015 1.00 0.00 ? 33 GLU A HB2 1 ATOM 473 H HB3 . GLU A 1 33 ? -4.968 -5.297 -5.191 1.00 0.00 ? 33 GLU A HB3 1 ATOM 474 H HG2 . GLU A 1 33 ? -4.272 -7.189 -6.892 1.00 0.00 ? 33 GLU A HG2 1 ATOM 475 H HG3 . GLU A 1 33 ? -4.500 -8.213 -5.476 1.00 0.00 ? 33 GLU A HG3 1 ATOM 476 N N . ALA A 1 34 ? -2.234 -4.726 -3.182 1.00 0.00 ? 34 ALA A N 1 ATOM 477 C CA . ALA A 1 34 ? -1.891 -3.656 -2.253 1.00 0.00 ? 34 ALA A CA 1 ATOM 478 C C . ALA A 1 34 ? -0.563 -3.007 -2.628 1.00 0.00 ? 34 ALA A C 1 ATOM 479 O O . ALA A 1 34 ? -0.458 -1.782 -2.696 1.00 0.00 ? 34 ALA A O 1 ATOM 480 C CB . ALA A 1 34 ? -1.836 -4.191 -0.830 1.00 0.00 ? 34 ALA A CB 1 ATOM 481 H H . ALA A 1 34 ? -2.244 -5.652 -2.862 1.00 0.00 ? 34 ALA A H 1 ATOM 482 H HA . ALA A 1 34 ? -2.671 -2.910 -2.301 1.00 0.00 ? 34 ALA A HA 1 ATOM 483 H HB1 . ALA A 1 34 ? -2.089 -5.242 -0.831 1.00 0.00 ? 34 ALA A HB1 1 ATOM 484 H HB2 . ALA A 1 34 ? -0.840 -4.060 -0.435 1.00 0.00 ? 34 ALA A HB2 1 ATOM 485 H HB3 . ALA A 1 34 ? -2.541 -3.652 -0.215 1.00 0.00 ? 34 ALA A HB3 1 ATOM 486 N N . ILE A 1 35 ? 0.447 -3.836 -2.870 1.00 0.00 ? 35 ILE A N 1 ATOM 487 C CA . ILE A 1 35 ? 1.768 -3.342 -3.239 1.00 0.00 ? 35 ILE A CA 1 ATOM 488 C C . ILE A 1 35 ? 1.665 -2.137 -4.168 1.00 0.00 ? 35 ILE A C 1 ATOM 489 O O . ILE A 1 35 ? 2.188 -1.064 -3.870 1.00 0.00 ? 35 ILE A O 1 ATOM 490 C CB . ILE A 1 35 ? 2.607 -4.436 -3.926 1.00 0.00 ? 35 ILE A CB 1 ATOM 491 C CG1 . ILE A 1 35 ? 2.787 -5.633 -2.991 1.00 0.00 ? 35 ILE A CG1 1 ATOM 492 C CG2 . ILE A 1 35 ? 3.958 -3.879 -4.349 1.00 0.00 ? 35 ILE A CG2 1 ATOM 493 C CD1 . ILE A 1 35 ? 3.522 -6.792 -3.628 1.00 0.00 ? 35 ILE A CD1 1 ATOM 494 H H . ILE A 1 35 ? 0.301 -4.802 -2.800 1.00 0.00 ? 35 ILE A H 1 ATOM 495 H HA . ILE A 1 35 ? 2.276 -3.042 -2.333 1.00 0.00 ? 35 ILE A HA 1 ATOM 496 H HB . ILE A 1 35 ? 2.082 -4.756 -4.813 1.00 0.00 ? 35 ILE A HB 1 ATOM 497 H HG12 . ILE A 1 35 ? 3.346 -5.323 -2.123 1.00 0.00 ? 35 ILE A HG12 1 ATOM 498 H HG13 . ILE A 1 35 ? 1.814 -5.987 -2.680 1.00 0.00 ? 35 ILE A HG13 1 ATOM 499 H HG21 . ILE A 1 35 ? 4.570 -3.717 -3.475 1.00 0.00 ? 35 ILE A HG21 1 ATOM 500 H HG22 . ILE A 1 35 ? 4.447 -4.584 -5.005 1.00 0.00 ? 35 ILE A HG22 1 ATOM 501 H HG23 . ILE A 1 35 ? 3.816 -2.943 -4.868 1.00 0.00 ? 35 ILE A HG23 1 ATOM 502 H HD11 . ILE A 1 35 ? 3.509 -6.680 -4.702 1.00 0.00 ? 35 ILE A HD11 1 ATOM 503 H HD12 . ILE A 1 35 ? 4.543 -6.806 -3.279 1.00 0.00 ? 35 ILE A HD12 1 ATOM 504 H HD13 . ILE A 1 35 ? 3.036 -7.718 -3.358 1.00 0.00 ? 35 ILE A HD13 1 ATOM 505 N N . SER A 1 36 ? 0.985 -2.323 -5.295 1.00 0.00 ? 36 SER A N 1 ATOM 506 C CA . SER A 1 36 ? 0.814 -1.252 -6.270 1.00 0.00 ? 36 SER A CA 1 ATOM 507 C C . SER A 1 36 ? 0.120 -0.049 -5.639 1.00 0.00 ? 36 SER A C 1 ATOM 508 O O . SER A 1 36 ? 0.610 1.078 -5.720 1.00 0.00 ? 36 SER A O 1 ATOM 509 C CB . SER A 1 36 ? 0.006 -1.750 -7.470 1.00 0.00 ? 36 SER A CB 1 ATOM 510 O OG . SER A 1 36 ? 0.359 -1.048 -8.649 1.00 0.00 ? 36 SER A OG 1 ATOM 511 H H . SER A 1 36 ? 0.591 -3.202 -5.476 1.00 0.00 ? 36 SER A H 1 ATOM 512 H HA . SER A 1 36 ? 1.795 -0.951 -6.607 1.00 0.00 ? 36 SER A HA 1 ATOM 513 H HB2 . SER A 1 36 ? 0.200 -2.801 -7.620 1.00 0.00 ? 36 SER A HB2 1 ATOM 514 H HB3 . SER A 1 36 ? -1.047 -1.601 -7.278 1.00 0.00 ? 36 SER A HB3 1 ATOM 515 H HG . SER A 1 36 ? 0.043 -0.143 -8.591 1.00 0.00 ? 36 SER A HG 1 ATOM 516 N N . CYS A 1 37 ? -1.025 -0.296 -5.012 1.00 0.00 ? 37 CYS A N 1 ATOM 517 C CA . CYS A 1 37 ? -1.789 0.766 -4.367 1.00 0.00 ? 37 CYS A CA 1 ATOM 518 C C . CYS A 1 37 ? -0.859 1.803 -3.744 1.00 0.00 ? 37 CYS A C 1 ATOM 519 O O . CYS A 1 37 ? -1.063 3.007 -3.899 1.00 0.00 ? 37 CYS A O 1 ATOM 520 C CB . CYS A 1 37 ? -2.711 0.182 -3.296 1.00 0.00 ? 37 CYS A CB 1 ATOM 521 S SG . CYS A 1 37 ? -3.876 -1.053 -3.920 1.00 0.00 ? 37 CYS A SG 1 ATOM 522 H H . CYS A 1 37 ? -1.365 -1.215 -4.981 1.00 0.00 ? 37 CYS A H 1 ATOM 523 H HA . CYS A 1 37 ? -2.389 1.248 -5.124 1.00 0.00 ? 37 CYS A HA 1 ATOM 524 H HB2 . CYS A 1 37 ? -2.111 -0.291 -2.533 1.00 0.00 ? 37 CYS A HB2 1 ATOM 525 H HB3 . CYS A 1 37 ? -3.284 0.981 -2.850 1.00 0.00 ? 37 CYS A HB3 1 ATOM 526 H HG . CYS A 1 37 ? -4.700 -1.372 -2.933 1.00 0.00 ? 37 CYS A HG 1 ATOM 527 N N . HIS A 1 38 ? 0.161 1.327 -3.037 1.00 0.00 ? 38 HIS A N 1 ATOM 528 C CA . HIS A 1 38 ? 1.121 2.212 -2.389 1.00 0.00 ? 38 HIS A CA 1 ATOM 529 C C . HIS A 1 38 ? 2.010 2.899 -3.422 1.00 0.00 ? 38 HIS A C 1 ATOM 530 O O . HIS A 1 38 ? 2.328 4.081 -3.293 1.00 0.00 ? 38 HIS A O 1 ATOM 531 C CB . HIS A 1 38 ? 1.983 1.428 -1.398 1.00 0.00 ? 38 HIS A CB 1 ATOM 532 C CG . HIS A 1 38 ? 1.241 0.997 -0.170 1.00 0.00 ? 38 HIS A CG 1 ATOM 533 N ND1 . HIS A 1 38 ? 0.398 1.832 0.532 1.00 0.00 ? 38 HIS A ND1 1 ATOM 534 C CD2 . HIS A 1 38 ? 1.219 -0.190 0.479 1.00 0.00 ? 38 HIS A CD2 1 ATOM 535 C CE1 . HIS A 1 38 ? -0.109 1.178 1.561 1.00 0.00 ? 38 HIS A CE1 1 ATOM 536 N NE2 . HIS A 1 38 ? 0.373 -0.052 1.551 1.00 0.00 ? 38 HIS A NE2 1 ATOM 537 H H . HIS A 1 38 ? 0.270 0.357 -2.949 1.00 0.00 ? 38 HIS A H 1 ATOM 538 H HA . HIS A 1 38 ? 0.567 2.967 -1.851 1.00 0.00 ? 38 HIS A HA 1 ATOM 539 H HB2 . HIS A 1 38 ? 2.362 0.542 -1.885 1.00 0.00 ? 38 HIS A HB2 1 ATOM 540 H HB3 . HIS A 1 38 ? 2.813 2.045 -1.086 1.00 0.00 ? 38 HIS A HB3 1 ATOM 541 H HD1 . HIS A 1 38 ? 0.202 2.766 0.310 1.00 0.00 ? 38 HIS A HD1 1 ATOM 542 H HD2 . HIS A 1 38 ? 1.766 -1.082 0.206 1.00 0.00 ? 38 HIS A HD2 1 ATOM 543 H HE1 . HIS A 1 38 ? -0.801 1.579 2.287 1.00 0.00 ? 38 HIS A HE1 1 ATOM 544 H HE2 . HIS A 1 38 ? 0.226 -0.721 2.252 1.00 0.00 ? 38 HIS A HE2 1 ATOM 545 N N . ARG A 1 39 ? 2.407 2.150 -4.445 1.00 0.00 ? 39 ARG A N 1 ATOM 546 C CA . ARG A 1 39 ? 3.261 2.686 -5.498 1.00 0.00 ? 39 ARG A CA 1 ATOM 547 C C . ARG A 1 39 ? 2.641 3.936 -6.116 1.00 0.00 ? 39 ARG A C 1 ATOM 548 O O . ARG A 1 39 ? 3.338 4.909 -6.406 1.00 0.00 ? 39 ARG A O 1 ATOM 549 C CB . ARG A 1 39 ? 3.494 1.631 -6.581 1.00 0.00 ? 39 ARG A CB 1 ATOM 550 C CG . ARG A 1 39 ? 4.543 0.597 -6.208 1.00 0.00 ? 39 ARG A CG 1 ATOM 551 C CD . ARG A 1 39 ? 5.196 -0.005 -7.443 1.00 0.00 ? 39 ARG A CD 1 ATOM 552 N NE . ARG A 1 39 ? 5.978 0.981 -8.184 1.00 0.00 ? 39 ARG A NE 1 ATOM 553 C CZ . ARG A 1 39 ? 6.373 0.812 -9.441 1.00 0.00 ? 39 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 39 ? 6.060 -0.299 -10.093 1.00 0.00 ? 39 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 39 ? 7.081 1.755 -10.048 1.00 0.00 ? 39 ARG A NH2 1 ATOM 556 H H . ARG A 1 39 ? 2.120 1.214 -4.492 1.00 0.00 ? 39 ARG A H 1 ATOM 557 H HA . ARG A 1 39 ? 4.209 2.950 -5.055 1.00 0.00 ? 39 ARG A HA 1 ATOM 558 H HB2 . ARG A 1 39 ? 2.564 1.115 -6.772 1.00 0.00 ? 39 ARG A HB2 1 ATOM 559 H HB3 . ARG A 1 39 ? 3.813 2.126 -7.486 1.00 0.00 ? 39 ARG A HB3 1 ATOM 560 H HG2 . ARG A 1 39 ? 5.305 1.071 -5.607 1.00 0.00 ? 39 ARG A HG2 1 ATOM 561 H HG3 . ARG A 1 39 ? 4.072 -0.192 -5.640 1.00 0.00 ? 39 ARG A HG3 1 ATOM 562 H HD2 . ARG A 1 39 ? 5.848 -0.808 -7.133 1.00 0.00 ? 39 ARG A HD2 1 ATOM 563 H HD3 . ARG A 1 39 ? 4.424 -0.397 -8.087 1.00 0.00 ? 39 ARG A HD3 1 ATOM 564 H HE . ARG A 1 39 ? 6.219 1.810 -7.721 1.00 0.00 ? 39 ARG A HE 1 ATOM 565 H HH11 . ARG A 1 39 ? 5.526 -1.011 -9.639 1.00 0.00 ? 39 ARG A HH11 1 ATOM 566 H HH12 . ARG A 1 39 ? 6.358 -0.424 -11.040 1.00 0.00 ? 39 ARG A HH12 1 ATOM 567 H HH21 . ARG A 1 39 ? 7.318 2.595 -9.559 1.00 0.00 ? 39 ARG A HH21 1 ATOM 568 H HH22 . ARG A 1 39 ? 7.378 1.627 -10.994 1.00 0.00 ? 39 ARG A HH22 1 ATOM 569 N N . LYS A 1 40 ? 1.328 3.903 -6.315 1.00 0.00 ? 40 LYS A N 1 ATOM 570 C CA . LYS A 1 40 ? 0.613 5.033 -6.898 1.00 0.00 ? 40 LYS A CA 1 ATOM 571 C C . LYS A 1 40 ? 0.606 6.222 -5.943 1.00 0.00 ? 40 LYS A C 1 ATOM 572 O O . LYS A 1 40 ? 1.141 7.285 -6.257 1.00 0.00 ? 40 LYS A O 1 ATOM 573 C CB . LYS A 1 40 ? -0.823 4.632 -7.240 1.00 0.00 ? 40 LYS A CB 1 ATOM 574 C CG . LYS A 1 40 ? -0.943 3.851 -8.538 1.00 0.00 ? 40 LYS A CG 1 ATOM 575 C CD . LYS A 1 40 ? -0.807 2.356 -8.304 1.00 0.00 ? 40 LYS A CD 1 ATOM 576 C CE . LYS A 1 40 ? -1.522 1.555 -9.381 1.00 0.00 ? 40 LYS A CE 1 ATOM 577 N NZ . LYS A 1 40 ? -0.674 1.372 -10.591 1.00 0.00 ? 40 LYS A NZ 1 ATOM 578 H H . LYS A 1 40 ? 0.827 3.099 -6.063 1.00 0.00 ? 40 LYS A H 1 ATOM 579 H HA . LYS A 1 40 ? 1.125 5.317 -7.804 1.00 0.00 ? 40 LYS A HA 1 ATOM 580 H HB2 . LYS A 1 40 ? -1.215 4.022 -6.440 1.00 0.00 ? 40 LYS A HB2 1 ATOM 581 H HB3 . LYS A 1 40 ? -1.423 5.526 -7.326 1.00 0.00 ? 40 LYS A HB3 1 ATOM 582 H HG2 . LYS A 1 40 ? -1.909 4.049 -8.978 1.00 0.00 ? 40 LYS A HG2 1 ATOM 583 H HG3 . LYS A 1 40 ? -0.164 4.173 -9.214 1.00 0.00 ? 40 LYS A HG3 1 ATOM 584 H HD2 . LYS A 1 40 ? 0.240 2.093 -8.312 1.00 0.00 ? 40 LYS A HD2 1 ATOM 585 H HD3 . LYS A 1 40 ? -1.234 2.111 -7.342 1.00 0.00 ? 40 LYS A HD3 1 ATOM 586 H HE2 . LYS A 1 40 ? -1.778 0.586 -8.981 1.00 0.00 ? 40 LYS A HE2 1 ATOM 587 H HE3 . LYS A 1 40 ? -2.425 2.079 -9.660 1.00 0.00 ? 40 LYS A HE3 1 ATOM 588 H HZ1 . LYS A 1 40 ? -1.274 1.234 -11.430 1.00 0.00 ? 40 LYS A HZ1 1 ATOM 589 H HZ2 . LYS A 1 40 ? -0.062 0.540 -10.476 1.00 0.00 ? 40 LYS A HZ2 1 ATOM 590 H HZ3 . LYS A 1 40 ? -0.077 2.211 -10.740 1.00 0.00 ? 40 LYS A HZ3 1 ATOM 591 N N . ALA A 1 41 ? -0.002 6.036 -4.776 1.00 0.00 ? 41 ALA A N 1 ATOM 592 C CA . ALA A 1 41 ? -0.075 7.092 -3.775 1.00 0.00 ? 41 ALA A CA 1 ATOM 593 C C . ALA A 1 41 ? 1.269 7.795 -3.619 1.00 0.00 ? 41 ALA A C 1 ATOM 594 O O . ALA A 1 41 ? 1.352 9.022 -3.677 1.00 0.00 ? 41 ALA A O 1 ATOM 595 C CB . ALA A 1 41 ? -0.534 6.524 -2.441 1.00 0.00 ? 41 ALA A CB 1 ATOM 596 H H . ALA A 1 41 ? -0.410 5.166 -4.584 1.00 0.00 ? 41 ALA A H 1 ATOM 597 H HA . ALA A 1 41 ? -0.810 7.813 -4.104 1.00 0.00 ? 41 ALA A HA 1 ATOM 598 H HB1 . ALA A 1 41 ? -1.394 5.889 -2.597 1.00 0.00 ? 41 ALA A HB1 1 ATOM 599 H HB2 . ALA A 1 41 ? 0.265 5.947 -2.001 1.00 0.00 ? 41 ALA A HB2 1 ATOM 600 H HB3 . ALA A 1 41 ? -0.801 7.334 -1.778 1.00 0.00 ? 41 ALA A HB3 1 ATOM 601 N N . THR A 1 42 ? 2.323 7.009 -3.419 1.00 0.00 ? 42 THR A N 1 ATOM 602 C CA . THR A 1 42 ? 3.664 7.555 -3.252 1.00 0.00 ? 42 THR A CA 1 ATOM 603 C C . THR A 1 42 ? 4.050 8.435 -4.436 1.00 0.00 ? 42 THR A C 1 ATOM 604 O O . THR A 1 42 ? 4.426 9.596 -4.264 1.00 0.00 ? 42 THR A O 1 ATOM 605 C CB . THR A 1 42 ? 4.711 6.436 -3.096 1.00 0.00 ? 42 THR A CB 1 ATOM 606 O OG1 . THR A 1 42 ? 4.584 5.493 -4.166 1.00 0.00 ? 42 THR A OG1 1 ATOM 607 C CG2 . THR A 1 42 ? 4.546 5.723 -1.763 1.00 0.00 ? 42 THR A CG2 1 ATOM 608 H H . THR A 1 42 ? 2.193 6.038 -3.383 1.00 0.00 ? 42 THR A H 1 ATOM 609 H HA . THR A 1 42 ? 3.670 8.154 -2.353 1.00 0.00 ? 42 THR A HA 1 ATOM 610 H HB . THR A 1 42 ? 5.696 6.879 -3.132 1.00 0.00 ? 42 THR A HB 1 ATOM 611 H HG1 . THR A 1 42 ? 5.292 5.631 -4.800 1.00 0.00 ? 42 THR A HG1 1 ATOM 612 H HG21 . THR A 1 42 ? 3.567 5.270 -1.716 1.00 0.00 ? 42 THR A HG21 1 ATOM 613 H HG22 . THR A 1 42 ? 4.652 6.435 -0.958 1.00 0.00 ? 42 THR A HG22 1 ATOM 614 H HG23 . THR A 1 42 ? 5.301 4.958 -1.669 1.00 0.00 ? 42 THR A HG23 1 ATOM 615 N N . THR A 1 43 ? 3.954 7.878 -5.639 1.00 0.00 ? 43 THR A N 1 ATOM 616 C CA . THR A 1 43 ? 4.293 8.612 -6.851 1.00 0.00 ? 43 THR A CA 1 ATOM 617 C C . THR A 1 43 ? 3.592 9.965 -6.889 1.00 0.00 ? 43 THR A C 1 ATOM 618 O O . THR A 1 43 ? 4.193 10.977 -7.250 1.00 0.00 ? 43 THR A O 1 ATOM 619 C CB . THR A 1 43 ? 3.916 7.815 -8.114 1.00 0.00 ? 43 THR A CB 1 ATOM 620 O OG1 . THR A 1 43 ? 4.611 6.563 -8.130 1.00 0.00 ? 43 THR A OG1 1 ATOM 621 C CG2 . THR A 1 43 ? 4.253 8.603 -9.371 1.00 0.00 ? 43 THR A CG2 1 ATOM 622 H H . THR A 1 43 ? 3.648 6.949 -5.711 1.00 0.00 ? 43 THR A H 1 ATOM 623 H HA . THR A 1 43 ? 5.362 8.771 -6.856 1.00 0.00 ? 43 THR A HA 1 ATOM 624 H HB . THR A 1 43 ? 2.852 7.627 -8.099 1.00 0.00 ? 43 THR A HB 1 ATOM 625 H HG1 . THR A 1 43 ? 5.437 6.650 -7.647 1.00 0.00 ? 43 THR A HG1 1 ATOM 626 H HG21 . THR A 1 43 ? 4.209 9.661 -9.156 1.00 0.00 ? 43 THR A HG21 1 ATOM 627 H HG22 . THR A 1 43 ? 3.541 8.364 -10.148 1.00 0.00 ? 43 THR A HG22 1 ATOM 628 H HG23 . THR A 1 43 ? 5.247 8.345 -9.702 1.00 0.00 ? 43 THR A HG23 1 ATOM 629 N N . TYR A 1 44 ? 2.318 9.976 -6.514 1.00 0.00 ? 44 TYR A N 1 ATOM 630 C CA . TYR A 1 44 ? 1.534 11.205 -6.507 1.00 0.00 ? 44 TYR A CA 1 ATOM 631 C C . TYR A 1 44 ? 2.039 12.168 -5.437 1.00 0.00 ? 44 TYR A C 1 ATOM 632 O O . TYR A 1 44 ? 2.076 13.382 -5.644 1.00 0.00 ? 44 TYR A O 1 ATOM 633 C CB . TYR A 1 44 ? 0.056 10.891 -6.269 1.00 0.00 ? 44 TYR A CB 1 ATOM 634 C CG . TYR A 1 44 ? -0.802 12.122 -6.078 1.00 0.00 ? 44 TYR A CG 1 ATOM 635 C CD1 . TYR A 1 44 ? -0.659 13.227 -6.908 1.00 0.00 ? 44 TYR A CD1 1 ATOM 636 C CD2 . TYR A 1 44 ? -1.753 12.180 -5.067 1.00 0.00 ? 44 TYR A CD2 1 ATOM 637 C CE1 . TYR A 1 44 ? -1.440 14.354 -6.736 1.00 0.00 ? 44 TYR A CE1 1 ATOM 638 C CE2 . TYR A 1 44 ? -2.539 13.302 -4.889 1.00 0.00 ? 44 TYR A CE2 1 ATOM 639 C CZ . TYR A 1 44 ? -2.379 14.386 -5.726 1.00 0.00 ? 44 TYR A CZ 1 ATOM 640 O OH . TYR A 1 44 ? -3.159 15.506 -5.551 1.00 0.00 ? 44 TYR A OH 1 ATOM 641 H H . TYR A 1 44 ? 1.893 9.137 -6.237 1.00 0.00 ? 44 TYR A H 1 ATOM 642 H HA . TYR A 1 44 ? 1.641 11.672 -7.475 1.00 0.00 ? 44 TYR A HA 1 ATOM 643 H HB2 . TYR A 1 44 ? -0.331 10.347 -7.117 1.00 0.00 ? 44 TYR A HB2 1 ATOM 644 H HB3 . TYR A 1 44 ? -0.037 10.281 -5.383 1.00 0.00 ? 44 TYR A HB3 1 ATOM 645 H HD1 . TYR A 1 44 ? 0.076 13.199 -7.698 1.00 0.00 ? 44 TYR A HD1 1 ATOM 646 H HD2 . TYR A 1 44 ? -1.876 11.328 -4.413 1.00 0.00 ? 44 TYR A HD2 1 ATOM 647 H HE1 . TYR A 1 44 ? -1.315 15.203 -7.392 1.00 0.00 ? 44 TYR A HE1 1 ATOM 648 H HE2 . TYR A 1 44 ? -3.274 13.327 -4.098 1.00 0.00 ? 44 TYR A HE2 1 ATOM 649 H HH . TYR A 1 44 ? -4.033 15.347 -5.915 1.00 0.00 ? 44 TYR A HH 1 ATOM 650 N N . LEU A 1 45 ? 2.429 11.617 -4.293 1.00 0.00 ? 45 LEU A N 1 ATOM 651 C CA . LEU A 1 45 ? 2.934 12.426 -3.188 1.00 0.00 ? 45 LEU A CA 1 ATOM 652 C C . LEU A 1 45 ? 4.235 13.123 -3.574 1.00 0.00 ? 45 LEU A C 1 ATOM 653 O O . LEU A 1 45 ? 4.362 14.340 -3.438 1.00 0.00 ? 45 LEU A O 1 ATOM 654 C CB . LEU A 1 45 ? 3.158 11.552 -1.952 1.00 0.00 ? 45 LEU A CB 1 ATOM 655 C CG . LEU A 1 45 ? 1.902 11.147 -1.180 1.00 0.00 ? 45 LEU A CG 1 ATOM 656 C CD1 . LEU A 1 45 ? 2.235 10.096 -0.133 1.00 0.00 ? 45 LEU A CD1 1 ATOM 657 C CD2 . LEU A 1 45 ? 1.258 12.364 -0.532 1.00 0.00 ? 45 LEU A CD2 1 ATOM 658 H H . LEU A 1 45 ? 2.377 10.645 -4.187 1.00 0.00 ? 45 LEU A H 1 ATOM 659 H HA . LEU A 1 45 ? 2.192 13.175 -2.960 1.00 0.00 ? 45 LEU A HA 1 ATOM 660 H HB2 . LEU A 1 45 ? 3.656 10.649 -2.271 1.00 0.00 ? 45 LEU A HB2 1 ATOM 661 H HB3 . LEU A 1 45 ? 3.802 12.097 -1.276 1.00 0.00 ? 45 LEU A HB3 1 ATOM 662 H HG . LEU A 1 45 ? 1.187 10.717 -1.869 1.00 0.00 ? 45 LEU A HG 1 ATOM 663 H HD11 . LEU A 1 45 ? 3.304 9.959 -0.087 1.00 0.00 ? 45 LEU A HD11 1 ATOM 664 H HD12 . LEU A 1 45 ? 1.763 9.162 -0.398 1.00 0.00 ? 45 LEU A HD12 1 ATOM 665 H HD13 . LEU A 1 45 ? 1.871 10.422 0.831 1.00 0.00 ? 45 LEU A HD13 1 ATOM 666 H HD21 . LEU A 1 45 ? 1.560 13.256 -1.062 1.00 0.00 ? 45 LEU A HD21 1 ATOM 667 H HD22 . LEU A 1 45 ? 1.577 12.434 0.498 1.00 0.00 ? 45 LEU A HD22 1 ATOM 668 H HD23 . LEU A 1 45 ? 0.184 12.268 -0.572 1.00 0.00 ? 45 LEU A HD23 1 ATOM 669 N N . SER A 1 46 ? 5.197 12.344 -4.058 1.00 0.00 ? 46 SER A N 1 ATOM 670 C CA . SER A 1 46 ? 6.489 12.887 -4.463 1.00 0.00 ? 46 SER A CA 1 ATOM 671 C C . SER A 1 46 ? 6.310 14.024 -5.464 1.00 0.00 ? 46 SER A C 1 ATOM 672 O O . SER A 1 46 ? 7.078 14.986 -5.469 1.00 0.00 ? 46 SER A O 1 ATOM 673 C CB . SER A 1 46 ? 7.359 11.787 -5.073 1.00 0.00 ? 46 SER A CB 1 ATOM 674 O OG . SER A 1 46 ? 8.097 11.107 -4.073 1.00 0.00 ? 46 SER A OG 1 ATOM 675 H H . SER A 1 46 ? 5.035 11.381 -4.143 1.00 0.00 ? 46 SER A H 1 ATOM 676 H HA . SER A 1 46 ? 6.977 13.273 -3.580 1.00 0.00 ? 46 SER A HA 1 ATOM 677 H HB2 . SER A 1 46 ? 6.730 11.075 -5.585 1.00 0.00 ? 46 SER A HB2 1 ATOM 678 H HB3 . SER A 1 46 ? 8.051 12.228 -5.777 1.00 0.00 ? 46 SER A HB3 1 ATOM 679 H HG . SER A 1 46 ? 8.979 10.914 -4.400 1.00 0.00 ? 46 SER A HG 1 ATOM 680 N N . GLU A 1 47 ? 5.292 13.905 -6.310 1.00 0.00 ? 47 GLU A N 1 ATOM 681 C CA . GLU A 1 47 ? 5.013 14.923 -7.317 1.00 0.00 ? 47 GLU A CA 1 ATOM 682 C C . GLU A 1 47 ? 4.414 16.172 -6.676 1.00 0.00 ? 47 GLU A C 1 ATOM 683 O O . GLU A 1 47 ? 4.743 17.295 -7.055 1.00 0.00 ? 47 GLU A O 1 ATOM 684 C CB . GLU A 1 47 ? 4.059 14.373 -8.379 1.00 0.00 ? 47 GLU A CB 1 ATOM 685 C CG . GLU A 1 47 ? 4.767 13.696 -9.541 1.00 0.00 ? 47 GLU A CG 1 ATOM 686 C CD . GLU A 1 47 ? 5.540 14.675 -10.404 1.00 0.00 ? 47 GLU A CD 1 ATOM 687 O OE1 . GLU A 1 47 ? 4.910 15.343 -11.251 1.00 0.00 ? 47 GLU A OE1 1 ATOM 688 O OE2 . GLU A 1 47 ? 6.773 14.772 -10.233 1.00 0.00 ? 47 GLU A OE2 1 ATOM 689 H H . GLU A 1 47 ? 4.716 13.115 -6.257 1.00 0.00 ? 47 GLU A H 1 ATOM 690 H HA . GLU A 1 47 ? 5.948 15.188 -7.788 1.00 0.00 ? 47 GLU A HA 1 ATOM 691 H HB2 . GLU A 1 47 ? 3.400 13.654 -7.916 1.00 0.00 ? 47 GLU A HB2 1 ATOM 692 H HB3 . GLU A 1 47 ? 3.469 15.188 -8.771 1.00 0.00 ? 47 GLU A HB3 1 ATOM 693 H HG2 . GLU A 1 47 ? 5.457 12.964 -9.148 1.00 0.00 ? 47 GLU A HG2 1 ATOM 694 H HG3 . GLU A 1 47 ? 4.030 13.200 -10.155 1.00 0.00 ? 47 GLU A HG3 1 ATOM 695 N N . ALA A 1 48 ? 3.532 15.966 -5.704 1.00 0.00 ? 48 ALA A N 1 ATOM 696 C CA . ALA A 1 48 ? 2.887 17.073 -5.010 1.00 0.00 ? 48 ALA A CA 1 ATOM 697 C C . ALA A 1 48 ? 3.915 18.091 -4.527 1.00 0.00 ? 48 ALA A C 1 ATOM 698 O O . ALA A 1 48 ? 3.855 19.266 -4.887 1.00 0.00 ? 48 ALA A O 1 ATOM 699 C CB . ALA A 1 48 ? 2.064 16.556 -3.840 1.00 0.00 ? 48 ALA A CB 1 ATOM 700 H H . ALA A 1 48 ? 3.311 15.047 -5.446 1.00 0.00 ? 48 ALA A H 1 ATOM 701 H HA . ALA A 1 48 ? 2.216 17.557 -5.705 1.00 0.00 ? 48 ALA A HA 1 ATOM 702 H HB1 . ALA A 1 48 ? 1.452 17.356 -3.449 1.00 0.00 ? 48 ALA A HB1 1 ATOM 703 H HB2 . ALA A 1 48 ? 1.431 15.748 -4.175 1.00 0.00 ? 48 ALA A HB2 1 ATOM 704 H HB3 . ALA A 1 48 ? 2.725 16.197 -3.065 1.00 0.00 ? 48 ALA A HB3 1 ATOM 705 N N . MET A 1 49 ? 4.856 17.632 -3.708 1.00 0.00 ? 49 MET A N 1 ATOM 706 C CA . MET A 1 49 ? 5.898 18.503 -3.177 1.00 0.00 ? 49 MET A CA 1 ATOM 707 C C . MET A 1 49 ? 6.671 19.178 -4.305 1.00 0.00 ? 49 MET A C 1 ATOM 708 O O . MET A 1 49 ? 7.132 20.311 -4.165 1.00 0.00 ? 49 MET A O 1 ATOM 709 C CB . MET A 1 49 ? 6.857 17.706 -2.291 1.00 0.00 ? 49 MET A CB 1 ATOM 710 C CG . MET A 1 49 ? 7.445 16.484 -2.978 1.00 0.00 ? 49 MET A CG 1 ATOM 711 S SD . MET A 1 49 ? 8.210 15.335 -1.818 1.00 0.00 ? 49 MET A SD 1 ATOM 712 C CE . MET A 1 49 ? 6.924 15.201 -0.578 1.00 0.00 ? 49 MET A CE 1 ATOM 713 H H . MET A 1 49 ? 4.851 16.685 -3.457 1.00 0.00 ? 49 MET A H 1 ATOM 714 H HA . MET A 1 49 ? 5.419 19.264 -2.579 1.00 0.00 ? 49 MET A HA 1 ATOM 715 H HB2 . MET A 1 49 ? 7.670 18.349 -1.990 1.00 0.00 ? 49 MET A HB2 1 ATOM 716 H HB3 . MET A 1 49 ? 6.325 17.375 -1.411 1.00 0.00 ? 49 MET A HB3 1 ATOM 717 H HG2 . MET A 1 49 ? 6.656 15.969 -3.505 1.00 0.00 ? 49 MET A HG2 1 ATOM 718 H HG3 . MET A 1 49 ? 8.193 16.812 -3.685 1.00 0.00 ? 49 MET A HG3 1 ATOM 719 H HE1 . MET A 1 49 ? 7.063 15.968 0.169 1.00 0.00 ? 49 MET A HE1 1 ATOM 720 H HE2 . MET A 1 49 ? 5.959 15.324 -1.046 1.00 0.00 ? 49 MET A HE2 1 ATOM 721 H HE3 . MET A 1 49 ? 6.976 14.228 -0.110 1.00 0.00 ? 49 MET A HE3 1 ATOM 722 N N . LYS A 1 50 ? 6.810 18.475 -5.424 1.00 0.00 ? 50 LYS A N 1 ATOM 723 C CA . LYS A 1 50 ? 7.526 19.005 -6.578 1.00 0.00 ? 50 LYS A CA 1 ATOM 724 C C . LYS A 1 50 ? 6.694 20.061 -7.297 1.00 0.00 ? 50 LYS A C 1 ATOM 725 O O . LYS A 1 50 ? 7.098 20.584 -8.337 1.00 0.00 ? 50 LYS A O 1 ATOM 726 C CB . LYS A 1 50 ? 7.883 17.875 -7.546 1.00 0.00 ? 50 LYS A CB 1 ATOM 727 C CG . LYS A 1 50 ? 8.948 16.932 -7.014 1.00 0.00 ? 50 LYS A CG 1 ATOM 728 C CD . LYS A 1 50 ? 9.165 15.753 -7.948 1.00 0.00 ? 50 LYS A CD 1 ATOM 729 C CE . LYS A 1 50 ? 10.543 15.138 -7.758 1.00 0.00 ? 50 LYS A CE 1 ATOM 730 N NZ . LYS A 1 50 ? 10.767 14.702 -6.352 1.00 0.00 ? 50 LYS A NZ 1 ATOM 731 H H . LYS A 1 50 ? 6.419 17.576 -5.475 1.00 0.00 ? 50 LYS A H 1 ATOM 732 H HA . LYS A 1 50 ? 8.436 19.463 -6.221 1.00 0.00 ? 50 LYS A HA 1 ATOM 733 H HB2 . LYS A 1 50 ? 6.993 17.300 -7.753 1.00 0.00 ? 50 LYS A HB2 1 ATOM 734 H HB3 . LYS A 1 50 ? 8.243 18.308 -8.468 1.00 0.00 ? 50 LYS A HB3 1 ATOM 735 H HG2 . LYS A 1 50 ? 9.877 17.473 -6.913 1.00 0.00 ? 50 LYS A HG2 1 ATOM 736 H HG3 . LYS A 1 50 ? 8.638 16.561 -6.048 1.00 0.00 ? 50 LYS A HG3 1 ATOM 737 H HD2 . LYS A 1 50 ? 8.417 15.001 -7.745 1.00 0.00 ? 50 LYS A HD2 1 ATOM 738 H HD3 . LYS A 1 50 ? 9.070 16.092 -8.970 1.00 0.00 ? 50 LYS A HD3 1 ATOM 739 H HE2 . LYS A 1 50 ? 10.634 14.282 -8.410 1.00 0.00 ? 50 LYS A HE2 1 ATOM 740 H HE3 . LYS A 1 50 ? 11.290 15.872 -8.021 1.00 0.00 ? 50 LYS A HE3 1 ATOM 741 H HZ1 . LYS A 1 50 ? 10.632 13.673 -6.271 1.00 0.00 ? 50 LYS A HZ1 1 ATOM 742 H HZ2 . LYS A 1 50 ? 10.094 15.179 -5.718 1.00 0.00 ? 50 LYS A HZ2 1 ATOM 743 H HZ3 . LYS A 1 50 ? 11.735 14.938 -6.053 1.00 0.00 ? 50 LYS A HZ3 1 ATOM 744 N N . LEU A 1 51 ? 5.530 20.373 -6.737 1.00 0.00 ? 51 LEU A N 1 ATOM 745 C CA . LEU A 1 51 ? 4.640 21.369 -7.324 1.00 0.00 ? 51 LEU A CA 1 ATOM 746 C C . LEU A 1 51 ? 4.443 22.549 -6.378 1.00 0.00 ? 51 LEU A C 1 ATOM 747 O O . LEU A 1 51 ? 4.514 23.708 -6.789 1.00 0.00 ? 51 LEU A O 1 ATOM 748 C CB . LEU A 1 51 ? 3.288 20.738 -7.660 1.00 0.00 ? 51 LEU A CB 1 ATOM 749 C CG . LEU A 1 51 ? 2.502 21.400 -8.793 1.00 0.00 ? 51 LEU A CG 1 ATOM 750 C CD1 . LEU A 1 51 ? 2.907 20.815 -10.136 1.00 0.00 ? 51 LEU A CD1 1 ATOM 751 C CD2 . LEU A 1 51 ? 1.005 21.238 -8.568 1.00 0.00 ? 51 LEU A CD2 1 ATOM 752 H H . LEU A 1 51 ? 5.262 19.923 -5.909 1.00 0.00 ? 51 LEU A H 1 ATOM 753 H HA . LEU A 1 51 ? 5.098 21.726 -8.235 1.00 0.00 ? 51 LEU A HA 1 ATOM 754 H HB2 . LEU A 1 51 ? 3.462 19.710 -7.936 1.00 0.00 ? 51 LEU A HB2 1 ATOM 755 H HB3 . LEU A 1 51 ? 2.678 20.772 -6.769 1.00 0.00 ? 51 LEU A HB3 1 ATOM 756 H HG . LEU A 1 51 ? 2.726 22.458 -8.808 1.00 0.00 ? 51 LEU A HG 1 ATOM 757 H HD11 . LEU A 1 51 ? 3.915 20.433 -10.073 1.00 0.00 ? 51 LEU A HD11 1 ATOM 758 H HD12 . LEU A 1 51 ? 2.860 21.584 -10.893 1.00 0.00 ? 51 LEU A HD12 1 ATOM 759 H HD13 . LEU A 1 51 ? 2.233 20.012 -10.398 1.00 0.00 ? 51 LEU A HD13 1 ATOM 760 H HD21 . LEU A 1 51 ? 0.833 20.804 -7.595 1.00 0.00 ? 51 LEU A HD21 1 ATOM 761 H HD22 . LEU A 1 51 ? 0.595 20.590 -9.329 1.00 0.00 ? 51 LEU A HD22 1 ATOM 762 H HD23 . LEU A 1 51 ? 0.527 22.205 -8.622 1.00 0.00 ? 51 LEU A HD23 1 ATOM 763 N N . THR A 1 52 ? 4.197 22.247 -5.107 1.00 0.00 ? 52 THR A N 1 ATOM 764 C CA . THR A 1 52 ? 3.991 23.281 -4.101 1.00 0.00 ? 52 THR A CA 1 ATOM 765 C C . THR A 1 52 ? 5.269 24.078 -3.863 1.00 0.00 ? 52 THR A C 1 ATOM 766 O O . THR A 1 52 ? 6.349 23.507 -3.717 1.00 0.00 ? 52 THR A O 1 ATOM 767 C CB . THR A 1 52 ? 3.518 22.680 -2.765 1.00 0.00 ? 52 THR A CB 1 ATOM 768 O OG1 . THR A 1 52 ? 2.797 23.662 -2.013 1.00 0.00 ? 52 THR A OG1 1 ATOM 769 C CG2 . THR A 1 52 ? 4.700 22.177 -1.949 1.00 0.00 ? 52 THR A CG2 1 ATOM 770 H H . THR A 1 52 ? 4.153 21.305 -4.840 1.00 0.00 ? 52 THR A H 1 ATOM 771 H HA . THR A 1 52 ? 3.224 23.950 -4.463 1.00 0.00 ? 52 THR A HA 1 ATOM 772 H HB . THR A 1 52 ? 2.864 21.846 -2.974 1.00 0.00 ? 52 THR A HB 1 ATOM 773 H HG1 . THR A 1 52 ? 3.119 24.538 -2.239 1.00 0.00 ? 52 THR A HG1 1 ATOM 774 H HG21 . THR A 1 52 ? 5.208 21.395 -2.494 1.00 0.00 ? 52 THR A HG21 1 ATOM 775 H HG22 . THR A 1 52 ? 4.347 21.788 -1.006 1.00 0.00 ? 52 THR A HG22 1 ATOM 776 H HG23 . THR A 1 52 ? 5.384 22.992 -1.768 1.00 0.00 ? 52 THR A HG23 1 ATOM 777 N N . GLU A 1 53 ? 5.137 25.401 -3.824 1.00 0.00 ? 53 GLU A N 1 ATOM 778 C CA . GLU A 1 53 ? 6.283 26.275 -3.603 1.00 0.00 ? 53 GLU A CA 1 ATOM 779 C C . GLU A 1 53 ? 6.384 26.679 -2.134 1.00 0.00 ? 53 GLU A C 1 ATOM 780 O O . GLU A 1 53 ? 7.126 27.596 -1.781 1.00 0.00 ? 53 GLU A O 1 ATOM 781 C CB . GLU A 1 53 ? 6.176 27.525 -4.480 1.00 0.00 ? 53 GLU A CB 1 ATOM 782 C CG . GLU A 1 53 ? 6.693 27.321 -5.894 1.00 0.00 ? 53 GLU A CG 1 ATOM 783 C CD . GLU A 1 53 ? 6.401 28.504 -6.797 1.00 0.00 ? 53 GLU A CD 1 ATOM 784 O OE1 . GLU A 1 53 ? 5.214 28.732 -7.111 1.00 0.00 ? 53 GLU A OE1 1 ATOM 785 O OE2 . GLU A 1 53 ? 7.360 29.201 -7.190 1.00 0.00 ? 53 GLU A OE2 1 ATOM 786 H H . GLU A 1 53 ? 4.250 25.797 -3.947 1.00 0.00 ? 53 GLU A H 1 ATOM 787 H HA . GLU A 1 53 ? 7.174 25.730 -3.876 1.00 0.00 ? 53 GLU A HA 1 ATOM 788 H HB2 . GLU A 1 53 ? 5.139 27.822 -4.536 1.00 0.00 ? 53 GLU A HB2 1 ATOM 789 H HB3 . GLU A 1 53 ? 6.745 28.320 -4.022 1.00 0.00 ? 53 GLU A HB3 1 ATOM 790 H HG2 . GLU A 1 53 ? 7.762 27.174 -5.855 1.00 0.00 ? 53 GLU A HG2 1 ATOM 791 H HG3 . GLU A 1 53 ? 6.224 26.443 -6.312 1.00 0.00 ? 53 GLU A HG3 1 ATOM 792 N N . SER A 1 54 ? 5.633 25.987 -1.284 1.00 0.00 ? 54 SER A N 1 ATOM 793 C CA . SER A 1 54 ? 5.634 26.275 0.146 1.00 0.00 ? 54 SER A CA 1 ATOM 794 C C . SER A 1 54 ? 6.470 25.250 0.906 1.00 0.00 ? 54 SER A C 1 ATOM 795 O O . SER A 1 54 ? 6.734 24.157 0.407 1.00 0.00 ? 54 SER A O 1 ATOM 796 C CB . SER A 1 54 ? 4.203 26.285 0.687 1.00 0.00 ? 54 SER A CB 1 ATOM 797 O OG . SER A 1 54 ? 3.373 25.403 -0.050 1.00 0.00 ? 54 SER A OG 1 ATOM 798 H H . SER A 1 54 ? 5.062 25.267 -1.626 1.00 0.00 ? 54 SER A H 1 ATOM 799 H HA . SER A 1 54 ? 6.070 27.253 0.287 1.00 0.00 ? 54 SER A HA 1 ATOM 800 H HB2 . SER A 1 54 ? 4.210 25.974 1.721 1.00 0.00 ? 54 SER A HB2 1 ATOM 801 H HB3 . SER A 1 54 ? 3.800 27.285 0.613 1.00 0.00 ? 54 SER A HB3 1 ATOM 802 H HG . SER A 1 54 ? 2.668 25.902 -0.468 1.00 0.00 ? 54 SER A HG 1 ATOM 803 N N . GLU A 1 55 ? 6.883 25.613 2.116 1.00 0.00 ? 55 GLU A N 1 ATOM 804 C CA . GLU A 1 55 ? 7.690 24.725 2.945 1.00 0.00 ? 55 GLU A CA 1 ATOM 805 C C . GLU A 1 55 ? 6.808 23.730 3.695 1.00 0.00 ? 55 GLU A C 1 ATOM 806 O O . GLU A 1 55 ? 6.845 22.530 3.428 1.00 0.00 ? 55 GLU A O 1 ATOM 807 C CB . GLU A 1 55 ? 8.522 25.536 3.940 1.00 0.00 ? 55 GLU A CB 1 ATOM 808 C CG . GLU A 1 55 ? 9.367 24.680 4.868 1.00 0.00 ? 55 GLU A CG 1 ATOM 809 C CD . GLU A 1 55 ? 10.380 25.493 5.651 1.00 0.00 ? 55 GLU A CD 1 ATOM 810 O OE1 . GLU A 1 55 ? 11.373 25.947 5.045 1.00 0.00 ? 55 GLU A OE1 1 ATOM 811 O OE2 . GLU A 1 55 ? 10.179 25.674 6.870 1.00 0.00 ? 55 GLU A OE2 1 ATOM 812 H H . GLU A 1 55 ? 6.640 26.498 2.460 1.00 0.00 ? 55 GLU A H 1 ATOM 813 H HA . GLU A 1 55 ? 8.356 24.178 2.295 1.00 0.00 ? 55 GLU A HA 1 ATOM 814 H HB2 . GLU A 1 55 ? 9.180 26.193 3.390 1.00 0.00 ? 55 GLU A HB2 1 ATOM 815 H HB3 . GLU A 1 55 ? 7.856 26.134 4.545 1.00 0.00 ? 55 GLU A HB3 1 ATOM 816 H HG2 . GLU A 1 55 ? 8.715 24.177 5.566 1.00 0.00 ? 55 GLU A HG2 1 ATOM 817 H HG3 . GLU A 1 55 ? 9.896 23.946 4.278 1.00 0.00 ? 55 GLU A HG3 1 ATOM 818 N N . GLN A 1 56 ? 6.018 24.240 4.635 1.00 0.00 ? 56 GLN A N 1 ATOM 819 C CA . GLN A 1 56 ? 5.129 23.396 5.424 1.00 0.00 ? 56 GLN A CA 1 ATOM 820 C C . GLN A 1 56 ? 4.457 22.344 4.548 1.00 0.00 ? 56 GLN A C 1 ATOM 821 O O . GLN A 1 56 ? 4.579 21.145 4.797 1.00 0.00 ? 56 GLN A O 1 ATOM 822 C CB . GLN A 1 56 ? 4.068 24.250 6.121 1.00 0.00 ? 56 GLN A CB 1 ATOM 823 C CG . GLN A 1 56 ? 3.572 23.655 7.429 1.00 0.00 ? 56 GLN A CG 1 ATOM 824 C CD . GLN A 1 56 ? 2.841 24.666 8.290 1.00 0.00 ? 56 GLN A CD 1 ATOM 825 O OE1 . GLN A 1 56 ? 2.129 25.533 7.781 1.00 0.00 ? 56 GLN A OE1 1 ATOM 826 N NE2 . GLN A 1 56 ? 3.013 24.561 9.602 1.00 0.00 ? 56 GLN A NE2 1 ATOM 827 H H . GLN A 1 56 ? 6.035 25.205 4.801 1.00 0.00 ? 56 GLN A H 1 ATOM 828 H HA . GLN A 1 56 ? 5.724 22.896 6.173 1.00 0.00 ? 56 GLN A HA 1 ATOM 829 H HB2 . GLN A 1 56 ? 4.485 25.223 6.328 1.00 0.00 ? 56 GLN A HB2 1 ATOM 830 H HB3 . GLN A 1 56 ? 3.222 24.363 5.459 1.00 0.00 ? 56 GLN A HB3 1 ATOM 831 H HG2 . GLN A 1 56 ? 2.898 22.841 7.207 1.00 0.00 ? 56 GLN A HG2 1 ATOM 832 H HG3 . GLN A 1 56 ? 4.419 23.278 7.983 1.00 0.00 ? 56 GLN A HG3 1 ATOM 833 H HE21 . GLN A 1 56 ? 3.596 23.847 9.937 1.00 0.00 ? 56 GLN A HE21 1 ATOM 834 H HE22 . GLN A 1 56 ? 2.553 25.202 10.182 1.00 0.00 ? 56 GLN A HE22 1 ATOM 835 N N . ALA A 1 57 ? 3.748 22.801 3.521 1.00 0.00 ? 57 ALA A N 1 ATOM 836 C CA . ALA A 1 57 ? 3.058 21.899 2.607 1.00 0.00 ? 57 ALA A CA 1 ATOM 837 C C . ALA A 1 57 ? 3.932 20.699 2.257 1.00 0.00 ? 57 ALA A C 1 ATOM 838 O O . ALA A 1 57 ? 3.501 19.551 2.367 1.00 0.00 ? 57 ALA A O 1 ATOM 839 C CB . ALA A 1 57 ? 2.645 22.641 1.345 1.00 0.00 ? 57 ALA A CB 1 ATOM 840 H H . ALA A 1 57 ? 3.688 23.768 3.374 1.00 0.00 ? 57 ALA A H 1 ATOM 841 H HA . ALA A 1 57 ? 2.162 21.548 3.098 1.00 0.00 ? 57 ALA A HA 1 ATOM 842 H HB1 . ALA A 1 57 ? 1.580 22.818 1.365 1.00 0.00 ? 57 ALA A HB1 1 ATOM 843 H HB2 . ALA A 1 57 ? 3.167 23.585 1.295 1.00 0.00 ? 57 ALA A HB2 1 ATOM 844 H HB3 . ALA A 1 57 ? 2.895 22.045 0.480 1.00 0.00 ? 57 ALA A HB3 1 ATOM 845 N N . HIS A 1 58 ? 5.161 20.972 1.832 1.00 0.00 ? 58 HIS A N 1 ATOM 846 C CA . HIS A 1 58 ? 6.096 19.915 1.465 1.00 0.00 ? 58 HIS A CA 1 ATOM 847 C C . HIS A 1 58 ? 6.310 18.951 2.629 1.00 0.00 ? 58 HIS A C 1 ATOM 848 O O . HIS A 1 58 ? 6.425 17.740 2.432 1.00 0.00 ? 58 HIS A O 1 ATOM 849 C CB . HIS A 1 58 ? 7.434 20.515 1.032 1.00 0.00 ? 58 HIS A CB 1 ATOM 850 C CG . HIS A 1 58 ? 8.507 19.492 0.816 1.00 0.00 ? 58 HIS A CG 1 ATOM 851 N ND1 . HIS A 1 58 ? 8.986 18.680 1.822 1.00 0.00 ? 58 HIS A ND1 1 ATOM 852 C CD2 . HIS A 1 58 ? 9.194 19.152 -0.300 1.00 0.00 ? 58 HIS A CD2 1 ATOM 853 C CE1 . HIS A 1 58 ? 9.922 17.885 1.335 1.00 0.00 ? 58 HIS A CE1 1 ATOM 854 N NE2 . HIS A 1 58 ? 10.067 18.151 0.049 1.00 0.00 ? 58 HIS A NE2 1 ATOM 855 H H . HIS A 1 58 ? 5.447 21.907 1.765 1.00 0.00 ? 58 HIS A H 1 ATOM 856 H HA . HIS A 1 58 ? 5.671 19.369 0.636 1.00 0.00 ? 58 HIS A HA 1 ATOM 857 H HB2 . HIS A 1 58 ? 7.296 21.051 0.105 1.00 0.00 ? 58 HIS A HB2 1 ATOM 858 H HB3 . HIS A 1 58 ? 7.776 21.201 1.793 1.00 0.00 ? 58 HIS A HB3 1 ATOM 859 H HD1 . HIS A 1 58 ? 8.685 18.686 2.754 1.00 0.00 ? 58 HIS A HD1 1 ATOM 860 H HD2 . HIS A 1 58 ? 9.078 19.587 -1.283 1.00 0.00 ? 58 HIS A HD2 1 ATOM 861 H HE1 . HIS A 1 58 ? 10.474 17.143 1.892 1.00 0.00 ? 58 HIS A HE1 1 ATOM 862 H HE2 . HIS A 1 58 ? 10.754 17.766 -0.533 1.00 0.00 ? 58 HIS A HE2 1 ATOM 863 N N . LEU A 1 59 ? 6.364 19.495 3.839 1.00 0.00 ? 59 LEU A N 1 ATOM 864 C CA . LEU A 1 59 ? 6.566 18.684 5.035 1.00 0.00 ? 59 LEU A CA 1 ATOM 865 C C . LEU A 1 59 ? 5.454 17.650 5.185 1.00 0.00 ? 59 LEU A C 1 ATOM 866 O O . LEU A 1 59 ? 5.716 16.452 5.282 1.00 0.00 ? 59 LEU A O 1 ATOM 867 C CB . LEU A 1 59 ? 6.620 19.575 6.277 1.00 0.00 ? 59 LEU A CB 1 ATOM 868 C CG . LEU A 1 59 ? 7.580 20.764 6.208 1.00 0.00 ? 59 LEU A CG 1 ATOM 869 C CD1 . LEU A 1 59 ? 7.656 21.466 7.555 1.00 0.00 ? 59 LEU A CD1 1 ATOM 870 C CD2 . LEU A 1 59 ? 8.962 20.308 5.763 1.00 0.00 ? 59 LEU A CD2 1 ATOM 871 H H . LEU A 1 59 ? 6.266 20.466 3.932 1.00 0.00 ? 59 LEU A H 1 ATOM 872 H HA . LEU A 1 59 ? 7.509 18.168 4.930 1.00 0.00 ? 59 LEU A HA 1 ATOM 873 H HB2 . LEU A 1 59 ? 5.628 19.962 6.450 1.00 0.00 ? 59 LEU A HB2 1 ATOM 874 H HB3 . LEU A 1 59 ? 6.915 18.958 7.113 1.00 0.00 ? 59 LEU A HB3 1 ATOM 875 H HG . LEU A 1 59 ? 7.211 21.475 5.482 1.00 0.00 ? 59 LEU A HG 1 ATOM 876 H HD11 . LEU A 1 59 ? 8.297 20.905 8.218 1.00 0.00 ? 59 LEU A HD11 1 ATOM 877 H HD12 . LEU A 1 59 ? 6.667 21.534 7.982 1.00 0.00 ? 59 LEU A HD12 1 ATOM 878 H HD13 . LEU A 1 59 ? 8.058 22.460 7.420 1.00 0.00 ? 59 LEU A HD13 1 ATOM 879 H HD21 . LEU A 1 59 ? 9.612 21.166 5.674 1.00 0.00 ? 59 LEU A HD21 1 ATOM 880 H HD22 . LEU A 1 59 ? 8.887 19.812 4.806 1.00 0.00 ? 59 LEU A HD22 1 ATOM 881 H HD23 . LEU A 1 59 ? 9.367 19.623 6.493 1.00 0.00 ? 59 LEU A HD23 1 ATOM 882 N N . SER A 1 60 ? 4.212 18.123 5.201 1.00 0.00 ? 60 SER A N 1 ATOM 883 C CA . SER A 1 60 ? 3.060 17.240 5.341 1.00 0.00 ? 60 SER A CA 1 ATOM 884 C C . SER A 1 60 ? 3.142 16.079 4.354 1.00 0.00 ? 60 SER A C 1 ATOM 885 O O . SER A 1 60 ? 2.518 15.036 4.551 1.00 0.00 ? 60 SER A O 1 ATOM 886 C CB . SER A 1 60 ? 1.763 18.021 5.121 1.00 0.00 ? 60 SER A CB 1 ATOM 887 O OG . SER A 1 60 ? 1.561 18.975 6.149 1.00 0.00 ? 60 SER A OG 1 ATOM 888 H H . SER A 1 60 ? 4.067 19.089 5.120 1.00 0.00 ? 60 SER A H 1 ATOM 889 H HA . SER A 1 60 ? 3.066 16.844 6.345 1.00 0.00 ? 60 SER A HA 1 ATOM 890 H HB2 . SER A 1 60 ? 1.811 18.535 4.173 1.00 0.00 ? 60 SER A HB2 1 ATOM 891 H HB3 . SER A 1 60 ? 0.929 17.333 5.116 1.00 0.00 ? 60 SER A HB3 1 ATOM 892 H HG . SER A 1 60 ? 2.411 19.247 6.504 1.00 0.00 ? 60 SER A HG 1 ATOM 893 N N . LEU A 1 61 ? 3.915 16.269 3.291 1.00 0.00 ? 61 LEU A N 1 ATOM 894 C CA . LEU A 1 61 ? 4.081 15.239 2.271 1.00 0.00 ? 61 LEU A CA 1 ATOM 895 C C . LEU A 1 61 ? 5.238 14.309 2.619 1.00 0.00 ? 61 LEU A C 1 ATOM 896 O O . LEU A 1 61 ? 5.077 13.089 2.655 1.00 0.00 ? 61 LEU A O 1 ATOM 897 C CB . LEU A 1 61 ? 4.321 15.881 0.904 1.00 0.00 ? 61 LEU A CB 1 ATOM 898 C CG . LEU A 1 61 ? 3.254 16.868 0.428 1.00 0.00 ? 61 LEU A CG 1 ATOM 899 C CD1 . LEU A 1 61 ? 3.685 17.537 -0.867 1.00 0.00 ? 61 LEU A CD1 1 ATOM 900 C CD2 . LEU A 1 61 ? 1.918 16.163 0.248 1.00 0.00 ? 61 LEU A CD2 1 ATOM 901 H H . LEU A 1 61 ? 4.387 17.122 3.188 1.00 0.00 ? 61 LEU A H 1 ATOM 902 H HA . LEU A 1 61 ? 3.169 14.661 2.233 1.00 0.00 ? 61 LEU A HA 1 ATOM 903 H HB2 . LEU A 1 61 ? 5.262 16.407 0.947 1.00 0.00 ? 61 LEU A HB2 1 ATOM 904 H HB3 . LEU A 1 61 ? 4.388 15.087 0.173 1.00 0.00 ? 61 LEU A HB3 1 ATOM 905 H HG . LEU A 1 61 ? 3.128 17.639 1.176 1.00 0.00 ? 61 LEU A HG 1 ATOM 906 H HD11 . LEU A 1 61 ? 2.812 17.790 -1.450 1.00 0.00 ? 61 LEU A HD11 1 ATOM 907 H HD12 . LEU A 1 61 ? 4.311 16.861 -1.431 1.00 0.00 ? 61 LEU A HD12 1 ATOM 908 H HD13 . LEU A 1 61 ? 4.240 18.436 -0.641 1.00 0.00 ? 61 LEU A HD13 1 ATOM 909 H HD21 . LEU A 1 61 ? 1.204 16.850 -0.182 1.00 0.00 ? 61 LEU A HD21 1 ATOM 910 H HD22 . LEU A 1 61 ? 1.557 15.824 1.208 1.00 0.00 ? 61 LEU A HD22 1 ATOM 911 H HD23 . LEU A 1 61 ? 2.044 15.316 -0.410 1.00 0.00 ? 61 LEU A HD23 1 ATOM 912 N N . GLU A 1 62 ? 6.404 14.893 2.877 1.00 0.00 ? 62 GLU A N 1 ATOM 913 C CA . GLU A 1 62 ? 7.587 14.116 3.224 1.00 0.00 ? 62 GLU A CA 1 ATOM 914 C C . GLU A 1 62 ? 7.306 13.195 4.408 1.00 0.00 ? 62 GLU A C 1 ATOM 915 O O . GLU A 1 62 ? 7.974 12.177 4.590 1.00 0.00 ? 62 GLU A O 1 ATOM 916 C CB . GLU A 1 62 ? 8.757 15.045 3.554 1.00 0.00 ? 62 GLU A CB 1 ATOM 917 C CG . GLU A 1 62 ? 8.773 15.515 4.999 1.00 0.00 ? 62 GLU A CG 1 ATOM 918 C CD . GLU A 1 62 ? 10.052 16.244 5.361 1.00 0.00 ? 62 GLU A CD 1 ATOM 919 O OE1 . GLU A 1 62 ? 10.136 17.462 5.098 1.00 0.00 ? 62 GLU A OE1 1 ATOM 920 O OE2 . GLU A 1 62 ? 10.969 15.597 5.909 1.00 0.00 ? 62 GLU A OE2 1 ATOM 921 H H . GLU A 1 62 ? 6.469 15.870 2.832 1.00 0.00 ? 62 GLU A H 1 ATOM 922 H HA . GLU A 1 62 ? 7.850 13.512 2.369 1.00 0.00 ? 62 GLU A HA 1 ATOM 923 H HB2 . GLU A 1 62 ? 9.682 14.525 3.355 1.00 0.00 ? 62 GLU A HB2 1 ATOM 924 H HB3 . GLU A 1 62 ? 8.700 15.915 2.916 1.00 0.00 ? 62 GLU A HB3 1 ATOM 925 H HG2 . GLU A 1 62 ? 7.939 16.183 5.156 1.00 0.00 ? 62 GLU A HG2 1 ATOM 926 H HG3 . GLU A 1 62 ? 8.671 14.655 5.644 1.00 0.00 ? 62 GLU A HG3 1 ATOM 927 N N . LEU A 1 63 ? 6.313 13.561 5.211 1.00 0.00 ? 63 LEU A N 1 ATOM 928 C CA . LEU A 1 63 ? 5.941 12.769 6.379 1.00 0.00 ? 63 LEU A CA 1 ATOM 929 C C . LEU A 1 63 ? 4.968 11.659 5.997 1.00 0.00 ? 63 LEU A C 1 ATOM 930 O O . LEU A 1 63 ? 5.162 10.499 6.359 1.00 0.00 ? 63 LEU A O 1 ATOM 931 C CB . LEU A 1 63 ? 5.316 13.665 7.449 1.00 0.00 ? 63 LEU A CB 1 ATOM 932 C CG . LEU A 1 63 ? 6.283 14.568 8.217 1.00 0.00 ? 63 LEU A CG 1 ATOM 933 C CD1 . LEU A 1 63 ? 5.516 15.573 9.064 1.00 0.00 ? 63 LEU A CD1 1 ATOM 934 C CD2 . LEU A 1 63 ? 7.214 13.736 9.086 1.00 0.00 ? 63 LEU A CD2 1 ATOM 935 H H . LEU A 1 63 ? 5.816 14.382 5.015 1.00 0.00 ? 63 LEU A H 1 ATOM 936 H HA . LEU A 1 63 ? 6.841 12.322 6.775 1.00 0.00 ? 63 LEU A HA 1 ATOM 937 H HB2 . LEU A 1 63 ? 4.587 14.297 6.967 1.00 0.00 ? 63 LEU A HB2 1 ATOM 938 H HB3 . LEU A 1 63 ? 4.819 13.026 8.165 1.00 0.00 ? 63 LEU A HB3 1 ATOM 939 H HG . LEU A 1 63 ? 6.888 15.120 7.511 1.00 0.00 ? 63 LEU A HG 1 ATOM 940 H HD11 . LEU A 1 63 ? 5.076 15.068 9.910 1.00 0.00 ? 63 LEU A HD11 1 ATOM 941 H HD12 . LEU A 1 63 ? 4.737 16.024 8.468 1.00 0.00 ? 63 LEU A HD12 1 ATOM 942 H HD13 . LEU A 1 63 ? 6.193 16.340 9.412 1.00 0.00 ? 63 LEU A HD13 1 ATOM 943 H HD21 . LEU A 1 63 ? 7.218 12.715 8.733 1.00 0.00 ? 63 LEU A HD21 1 ATOM 944 H HD22 . LEU A 1 63 ? 6.869 13.761 10.110 1.00 0.00 ? 63 LEU A HD22 1 ATOM 945 H HD23 . LEU A 1 63 ? 8.214 14.140 9.032 1.00 0.00 ? 63 LEU A HD23 1 ATOM 946 N N . GLN A 1 64 ? 3.922 12.023 5.262 1.00 0.00 ? 64 GLN A N 1 ATOM 947 C CA . GLN A 1 64 ? 2.919 11.057 4.830 1.00 0.00 ? 64 GLN A CA 1 ATOM 948 C C . GLN A 1 64 ? 3.544 9.981 3.947 1.00 0.00 ? 64 GLN A C 1 ATOM 949 O O . GLN A 1 64 ? 3.128 8.823 3.975 1.00 0.00 ? 64 GLN A O 1 ATOM 950 C CB . GLN A 1 64 ? 1.793 11.763 4.074 1.00 0.00 ? 64 GLN A CB 1 ATOM 951 C CG . GLN A 1 64 ? 0.450 11.058 4.184 1.00 0.00 ? 64 GLN A CG 1 ATOM 952 C CD . GLN A 1 64 ? -0.070 11.014 5.607 1.00 0.00 ? 64 GLN A CD 1 ATOM 953 O OE1 . GLN A 1 64 ? 0.351 10.180 6.409 1.00 0.00 ? 64 GLN A OE1 1 ATOM 954 N NE2 . GLN A 1 64 ? -0.992 11.914 5.928 1.00 0.00 ? 64 GLN A NE2 1 ATOM 955 H H . GLN A 1 64 ? 3.822 12.963 5.005 1.00 0.00 ? 64 GLN A H 1 ATOM 956 H HA . GLN A 1 64 ? 2.510 10.588 5.711 1.00 0.00 ? 64 GLN A HA 1 ATOM 957 H HB2 . GLN A 1 64 ? 1.683 12.763 4.466 1.00 0.00 ? 64 GLN A HB2 1 ATOM 958 H HB3 . GLN A 1 64 ? 2.058 11.822 3.028 1.00 0.00 ? 64 GLN A HB3 1 ATOM 959 H HG2 . GLN A 1 64 ? -0.268 11.581 3.571 1.00 0.00 ? 64 GLN A HG2 1 ATOM 960 H HG3 . GLN A 1 64 ? 0.560 10.045 3.825 1.00 0.00 ? 64 GLN A HG3 1 ATOM 961 H HE21 . GLN A 1 64 ? -1.282 12.546 5.237 1.00 0.00 ? 64 GLN A HE21 1 ATOM 962 H HE22 . GLN A 1 64 ? -1.347 11.908 6.841 1.00 0.00 ? 64 GLN A HE22 1 ATOM 963 N N . ARG A 1 65 ? 4.544 10.373 3.165 1.00 0.00 ? 65 ARG A N 1 ATOM 964 C CA . ARG A 1 65 ? 5.226 9.443 2.272 1.00 0.00 ? 65 ARG A CA 1 ATOM 965 C C . ARG A 1 65 ? 5.901 8.326 3.064 1.00 0.00 ? 65 ARG A C 1 ATOM 966 O O . ARG A 1 65 ? 5.758 7.147 2.740 1.00 0.00 ? 65 ARG A O 1 ATOM 967 C CB . ARG A 1 65 ? 6.263 10.182 1.426 1.00 0.00 ? 65 ARG A CB 1 ATOM 968 C CG . ARG A 1 65 ? 6.815 9.353 0.278 1.00 0.00 ? 65 ARG A CG 1 ATOM 969 C CD . ARG A 1 65 ? 7.571 10.216 -0.720 1.00 0.00 ? 65 ARG A CD 1 ATOM 970 N NE . ARG A 1 65 ? 8.903 10.572 -0.237 1.00 0.00 ? 65 ARG A NE 1 ATOM 971 C CZ . ARG A 1 65 ? 9.876 9.687 -0.046 1.00 0.00 ? 65 ARG A CZ 1 ATOM 972 N NH1 . ARG A 1 65 ? 9.667 8.402 -0.297 1.00 0.00 ? 65 ARG A NH1 1 ATOM 973 N NH2 . ARG A 1 65 ? 11.061 10.088 0.395 1.00 0.00 ? 65 ARG A NH2 1 ATOM 974 H H . ARG A 1 65 ? 4.831 11.310 3.187 1.00 0.00 ? 65 ARG A H 1 ATOM 975 H HA . ARG A 1 65 ? 4.485 9.007 1.619 1.00 0.00 ? 65 ARG A HA 1 ATOM 976 H HB2 . ARG A 1 65 ? 5.807 11.070 1.012 1.00 0.00 ? 65 ARG A HB2 1 ATOM 977 H HB3 . ARG A 1 65 ? 7.087 10.472 2.060 1.00 0.00 ? 65 ARG A HB3 1 ATOM 978 H HG2 . ARG A 1 65 ? 7.489 8.608 0.675 1.00 0.00 ? 65 ARG A HG2 1 ATOM 979 H HG3 . ARG A 1 65 ? 5.995 8.866 -0.229 1.00 0.00 ? 65 ARG A HG3 1 ATOM 980 H HD2 . ARG A 1 65 ? 7.669 9.671 -1.647 1.00 0.00 ? 65 ARG A HD2 1 ATOM 981 H HD3 . ARG A 1 65 ? 7.008 11.121 -0.892 1.00 0.00 ? 65 ARG A HD3 1 ATOM 982 H HE . ARG A 1 65 ? 9.080 11.516 -0.046 1.00 0.00 ? 65 ARG A HE 1 ATOM 983 H HH11 . ARG A 1 65 ? 8.775 8.098 -0.630 1.00 0.00 ? 65 ARG A HH11 1 ATOM 984 H HH12 . ARG A 1 65 ? 10.401 7.738 -0.153 1.00 0.00 ? 65 ARG A HH12 1 ATOM 985 H HH21 . ARG A 1 65 ? 11.223 11.056 0.585 1.00 0.00 ? 65 ARG A HH21 1 ATOM 986 H HH22 . ARG A 1 65 ? 11.792 9.422 0.538 1.00 0.00 ? 65 ARG A HH22 1 ATOM 987 N N . ASP A 1 66 ? 6.638 8.707 4.102 1.00 0.00 ? 66 ASP A N 1 ATOM 988 C CA . ASP A 1 66 ? 7.336 7.738 4.940 1.00 0.00 ? 66 ASP A CA 1 ATOM 989 C C . ASP A 1 66 ? 6.529 6.450 5.068 1.00 0.00 ? 66 ASP A C 1 ATOM 990 O O . ASP A 1 66 ? 6.948 5.394 4.594 1.00 0.00 ? 66 ASP A O 1 ATOM 991 C CB . ASP A 1 66 ? 7.601 8.329 6.325 1.00 0.00 ? 66 ASP A CB 1 ATOM 992 C CG . ASP A 1 66 ? 8.225 7.323 7.273 1.00 0.00 ? 66 ASP A CG 1 ATOM 993 O OD1 . ASP A 1 66 ? 9.223 6.682 6.884 1.00 0.00 ? 66 ASP A OD1 1 ATOM 994 O OD2 . ASP A 1 66 ? 7.714 7.177 8.404 1.00 0.00 ? 66 ASP A OD2 1 ATOM 995 H H . ASP A 1 66 ? 6.714 9.662 4.309 1.00 0.00 ? 66 ASP A H 1 ATOM 996 H HA . ASP A 1 66 ? 8.280 7.511 4.469 1.00 0.00 ? 66 ASP A HA 1 ATOM 997 H HB2 . ASP A 1 66 ? 8.273 9.169 6.229 1.00 0.00 ? 66 ASP A HB2 1 ATOM 998 H HB3 . ASP A 1 66 ? 6.667 8.666 6.750 1.00 0.00 ? 66 ASP A HB3 1 ATOM 999 N N . SER A 1 67 ? 5.371 6.545 5.712 1.00 0.00 ? 67 SER A N 1 ATOM 1000 C CA . SER A 1 67 ? 4.507 5.386 5.908 1.00 0.00 ? 67 SER A CA 1 ATOM 1001 C C . SER A 1 67 ? 4.171 4.728 4.573 1.00 0.00 ? 67 SER A C 1 ATOM 1002 O O . SER A 1 67 ? 4.435 3.543 4.367 1.00 0.00 ? 67 SER A O 1 ATOM 1003 C CB . SER A 1 67 ? 3.220 5.797 6.625 1.00 0.00 ? 67 SER A CB 1 ATOM 1004 O OG . SER A 1 67 ? 2.457 6.689 5.832 1.00 0.00 ? 67 SER A OG 1 ATOM 1005 H H . SER A 1 67 ? 5.091 7.415 6.067 1.00 0.00 ? 67 SER A H 1 ATOM 1006 H HA . SER A 1 67 ? 5.040 4.675 6.521 1.00 0.00 ? 67 SER A HA 1 ATOM 1007 H HB2 . SER A 1 67 ? 2.628 4.918 6.829 1.00 0.00 ? 67 SER A HB2 1 ATOM 1008 H HB3 . SER A 1 67 ? 3.471 6.286 7.556 1.00 0.00 ? 67 SER A HB3 1 ATOM 1009 H HG . SER A 1 67 ? 3.015 7.411 5.534 1.00 0.00 ? 67 SER A HG 1 ATOM 1010 N N . HIS A 1 68 ? 3.586 5.506 3.668 1.00 0.00 ? 68 HIS A N 1 ATOM 1011 C CA . HIS A 1 68 ? 3.213 5.001 2.351 1.00 0.00 ? 68 HIS A CA 1 ATOM 1012 C C . HIS A 1 68 ? 4.260 4.023 1.828 1.00 0.00 ? 68 HIS A C 1 ATOM 1013 O O . HIS A 1 68 ? 3.949 3.126 1.045 1.00 0.00 ? 68 HIS A O 1 ATOM 1014 C CB . HIS A 1 68 ? 3.042 6.158 1.367 1.00 0.00 ? 68 HIS A CB 1 ATOM 1015 C CG . HIS A 1 68 ? 1.653 6.717 1.334 1.00 0.00 ? 68 HIS A CG 1 ATOM 1016 N ND1 . HIS A 1 68 ? 0.554 5.978 0.947 1.00 0.00 ? 68 HIS A ND1 1 ATOM 1017 C CD2 . HIS A 1 68 ? 1.186 7.949 1.643 1.00 0.00 ? 68 HIS A CD2 1 ATOM 1018 C CE1 . HIS A 1 68 ? -0.528 6.733 1.019 1.00 0.00 ? 68 HIS A CE1 1 ATOM 1019 N NE2 . HIS A 1 68 ? -0.172 7.933 1.439 1.00 0.00 ? 68 HIS A NE2 1 ATOM 1020 H H . HIS A 1 68 ? 3.401 6.442 3.890 1.00 0.00 ? 68 HIS A H 1 ATOM 1021 H HA . HIS A 1 68 ? 2.271 4.482 2.450 1.00 0.00 ? 68 HIS A HA 1 ATOM 1022 H HB2 . HIS A 1 68 ? 3.714 6.958 1.642 1.00 0.00 ? 68 HIS A HB2 1 ATOM 1023 H HB3 . HIS A 1 68 ? 3.287 5.816 0.372 1.00 0.00 ? 68 HIS A HB3 1 ATOM 1024 H HD1 . HIS A 1 68 ? 0.566 5.041 0.661 1.00 0.00 ? 68 HIS A HD1 1 ATOM 1025 H HD2 . HIS A 1 68 ? 1.772 8.790 1.987 1.00 0.00 ? 68 HIS A HD2 1 ATOM 1026 H HE1 . HIS A 1 68 ? -1.533 6.421 0.776 1.00 0.00 ? 68 HIS A HE1 1 ATOM 1027 H HE2 . HIS A 1 68 ? -0.767 8.709 1.498 1.00 0.00 ? 68 HIS A HE2 1 ATOM 1028 N N . MET A 1 69 ? 5.502 4.203 2.266 1.00 0.00 ? 69 MET A N 1 ATOM 1029 C CA . MET A 1 69 ? 6.595 3.336 1.841 1.00 0.00 ? 69 MET A CA 1 ATOM 1030 C C . MET A 1 69 ? 6.853 2.242 2.873 1.00 0.00 ? 69 MET A C 1 ATOM 1031 O O . MET A 1 69 ? 7.089 1.086 2.521 1.00 0.00 ? 69 MET A O 1 ATOM 1032 C CB . MET A 1 69 ? 7.868 4.155 1.620 1.00 0.00 ? 69 MET A CB 1 ATOM 1033 C CG . MET A 1 69 ? 7.937 4.812 0.251 1.00 0.00 ? 69 MET A CG 1 ATOM 1034 S SD . MET A 1 69 ? 7.793 3.624 -1.098 1.00 0.00 ? 69 MET A SD 1 ATOM 1035 C CE . MET A 1 69 ? 9.164 2.531 -0.734 1.00 0.00 ? 69 MET A CE 1 ATOM 1036 H H . MET A 1 69 ? 5.688 4.936 2.889 1.00 0.00 ? 69 MET A H 1 ATOM 1037 H HA . MET A 1 69 ? 6.308 2.874 0.908 1.00 0.00 ? 69 MET A HA 1 ATOM 1038 H HB2 . MET A 1 69 ? 7.918 4.930 2.370 1.00 0.00 ? 69 MET A HB2 1 ATOM 1039 H HB3 . MET A 1 69 ? 8.723 3.505 1.727 1.00 0.00 ? 69 MET A HB3 1 ATOM 1040 H HG2 . MET A 1 69 ? 7.133 5.528 0.168 1.00 0.00 ? 69 MET A HG2 1 ATOM 1041 H HG3 . MET A 1 69 ? 8.883 5.325 0.161 1.00 0.00 ? 69 MET A HG3 1 ATOM 1042 H HE1 . MET A 1 69 ? 9.227 1.766 -1.494 1.00 0.00 ? 69 MET A HE1 1 ATOM 1043 H HE2 . MET A 1 69 ? 10.083 3.099 -0.719 1.00 0.00 ? 69 MET A HE2 1 ATOM 1044 H HE3 . MET A 1 69 ? 9.010 2.069 0.230 1.00 0.00 ? 69 MET A HE3 1 ATOM 1045 N N . LYS A 1 70 ? 6.806 2.614 4.147 1.00 0.00 ? 70 LYS A N 1 ATOM 1046 C CA . LYS A 1 70 ? 7.034 1.665 5.231 1.00 0.00 ? 70 LYS A CA 1 ATOM 1047 C C . LYS A 1 70 ? 6.142 0.438 5.075 1.00 0.00 ? 70 LYS A C 1 ATOM 1048 O O . LYS A 1 70 ? 6.557 -0.683 5.369 1.00 0.00 ? 70 LYS A O 1 ATOM 1049 C CB . LYS A 1 70 ? 6.771 2.332 6.583 1.00 0.00 ? 70 LYS A CB 1 ATOM 1050 C CG . LYS A 1 70 ? 5.338 2.187 7.065 1.00 0.00 ? 70 LYS A CG 1 ATOM 1051 C CD . LYS A 1 70 ? 5.158 2.760 8.461 1.00 0.00 ? 70 LYS A CD 1 ATOM 1052 C CE . LYS A 1 70 ? 5.730 1.833 9.522 1.00 0.00 ? 70 LYS A CE 1 ATOM 1053 N NZ . LYS A 1 70 ? 5.084 2.042 10.848 1.00 0.00 ? 70 LYS A NZ 1 ATOM 1054 H H . LYS A 1 70 ? 6.613 3.551 4.365 1.00 0.00 ? 70 LYS A H 1 ATOM 1055 H HA . LYS A 1 70 ? 8.066 1.353 5.187 1.00 0.00 ? 70 LYS A HA 1 ATOM 1056 H HB2 . LYS A 1 70 ? 7.424 1.889 7.322 1.00 0.00 ? 70 LYS A HB2 1 ATOM 1057 H HB3 . LYS A 1 70 ? 6.996 3.385 6.502 1.00 0.00 ? 70 LYS A HB3 1 ATOM 1058 H HG2 . LYS A 1 70 ? 4.684 2.712 6.385 1.00 0.00 ? 70 LYS A HG2 1 ATOM 1059 H HG3 . LYS A 1 70 ? 5.078 1.138 7.080 1.00 0.00 ? 70 LYS A HG3 1 ATOM 1060 H HD2 . LYS A 1 70 ? 5.666 3.711 8.518 1.00 0.00 ? 70 LYS A HD2 1 ATOM 1061 H HD3 . LYS A 1 70 ? 4.103 2.902 8.649 1.00 0.00 ? 70 LYS A HD3 1 ATOM 1062 H HE2 . LYS A 1 70 ? 5.572 0.811 9.212 1.00 0.00 ? 70 LYS A HE2 1 ATOM 1063 H HE3 . LYS A 1 70 ? 6.789 2.021 9.613 1.00 0.00 ? 70 LYS A HE3 1 ATOM 1064 H HZ1 . LYS A 1 70 ? 4.109 2.381 10.720 1.00 0.00 ? 70 LYS A HZ1 1 ATOM 1065 H HZ2 . LYS A 1 70 ? 5.615 2.749 11.396 1.00 0.00 ? 70 LYS A HZ2 1 ATOM 1066 H HZ3 . LYS A 1 70 ? 5.064 1.150 11.380 1.00 0.00 ? 70 LYS A HZ3 1 ATOM 1067 N N . GLN A 1 71 ? 4.916 0.658 4.610 1.00 0.00 ? 71 GLN A N 1 ATOM 1068 C CA . GLN A 1 71 ? 3.967 -0.432 4.415 1.00 0.00 ? 71 GLN A CA 1 ATOM 1069 C C . GLN A 1 71 ? 4.297 -1.222 3.154 1.00 0.00 ? 71 GLN A C 1 ATOM 1070 O O . GLN A 1 71 ? 4.121 -2.441 3.108 1.00 0.00 ? 71 GLN A O 1 ATOM 1071 C CB . GLN A 1 71 ? 2.541 0.115 4.331 1.00 0.00 ? 71 GLN A CB 1 ATOM 1072 C CG . GLN A 1 71 ? 1.901 0.360 5.688 1.00 0.00 ? 71 GLN A CG 1 ATOM 1073 C CD . GLN A 1 71 ? 2.120 -0.789 6.652 1.00 0.00 ? 71 GLN A CD 1 ATOM 1074 O OE1 . GLN A 1 71 ? 1.787 -1.936 6.354 1.00 0.00 ? 71 GLN A OE1 1 ATOM 1075 N NE2 . GLN A 1 71 ? 2.683 -0.486 7.816 1.00 0.00 ? 71 GLN A NE2 1 ATOM 1076 H H . GLN A 1 71 ? 4.644 1.573 4.394 1.00 0.00 ? 71 GLN A H 1 ATOM 1077 H HA . GLN A 1 71 ? 4.039 -1.091 5.267 1.00 0.00 ? 71 GLN A HA 1 ATOM 1078 H HB2 . GLN A 1 71 ? 2.558 1.050 3.790 1.00 0.00 ? 71 GLN A HB2 1 ATOM 1079 H HB3 . GLN A 1 71 ? 1.928 -0.592 3.791 1.00 0.00 ? 71 GLN A HB3 1 ATOM 1080 H HG2 . GLN A 1 71 ? 2.328 1.255 6.116 1.00 0.00 ? 71 GLN A HG2 1 ATOM 1081 H HG3 . GLN A 1 71 ? 0.839 0.499 5.551 1.00 0.00 ? 71 GLN A HG3 1 ATOM 1082 H HE21 . GLN A 1 71 ? 2.921 0.450 7.985 1.00 0.00 ? 71 GLN A HE21 1 ATOM 1083 H HE22 . GLN A 1 71 ? 2.836 -1.210 8.458 1.00 0.00 ? 71 GLN A HE22 1 ATOM 1084 N N . LEU A 1 72 ? 4.775 -0.522 2.131 1.00 0.00 ? 72 LEU A N 1 ATOM 1085 C CA . LEU A 1 72 ? 5.129 -1.158 0.867 1.00 0.00 ? 72 LEU A CA 1 ATOM 1086 C C . LEU A 1 72 ? 6.199 -2.225 1.076 1.00 0.00 ? 72 LEU A C 1 ATOM 1087 O O . LEU A 1 72 ? 6.063 -3.356 0.606 1.00 0.00 ? 72 LEU A O 1 ATOM 1088 C CB . LEU A 1 72 ? 5.626 -0.111 -0.132 1.00 0.00 ? 72 LEU A CB 1 ATOM 1089 C CG . LEU A 1 72 ? 6.164 -0.651 -1.457 1.00 0.00 ? 72 LEU A CG 1 ATOM 1090 C CD1 . LEU A 1 72 ? 5.215 -1.688 -2.037 1.00 0.00 ? 72 LEU A CD1 1 ATOM 1091 C CD2 . LEU A 1 72 ? 6.383 0.485 -2.446 1.00 0.00 ? 72 LEU A CD2 1 ATOM 1092 H H . LEU A 1 72 ? 4.892 0.446 2.227 1.00 0.00 ? 72 LEU A H 1 ATOM 1093 H HA . LEU A 1 72 ? 4.241 -1.628 0.472 1.00 0.00 ? 72 LEU A HA 1 ATOM 1094 H HB2 . LEU A 1 72 ? 4.802 0.550 -0.354 1.00 0.00 ? 72 LEU A HB2 1 ATOM 1095 H HB3 . LEU A 1 72 ? 6.417 0.450 0.344 1.00 0.00 ? 72 LEU A HB3 1 ATOM 1096 H HG . LEU A 1 72 ? 7.117 -1.132 -1.283 1.00 0.00 ? 72 LEU A HG 1 ATOM 1097 H HD11 . LEU A 1 72 ? 4.281 -1.214 -2.300 1.00 0.00 ? 72 LEU A HD11 1 ATOM 1098 H HD12 . LEU A 1 72 ? 5.033 -2.459 -1.303 1.00 0.00 ? 72 LEU A HD12 1 ATOM 1099 H HD13 . LEU A 1 72 ? 5.657 -2.128 -2.918 1.00 0.00 ? 72 LEU A HD13 1 ATOM 1100 H HD21 . LEU A 1 72 ? 6.476 1.417 -1.908 1.00 0.00 ? 72 LEU A HD21 1 ATOM 1101 H HD22 . LEU A 1 72 ? 5.542 0.542 -3.121 1.00 0.00 ? 72 LEU A HD22 1 ATOM 1102 H HD23 . LEU A 1 72 ? 7.286 0.303 -3.009 1.00 0.00 ? 72 LEU A HD23 1 ATOM 1103 N N . LEU A 1 73 ? 7.261 -1.860 1.785 1.00 0.00 ? 73 LEU A N 1 ATOM 1104 C CA . LEU A 1 73 ? 8.353 -2.787 2.059 1.00 0.00 ? 73 LEU A CA 1 ATOM 1105 C C . LEU A 1 73 ? 7.886 -3.932 2.953 1.00 0.00 ? 73 LEU A C 1 ATOM 1106 O O . LEU A 1 73 ? 8.315 -5.075 2.792 1.00 0.00 ? 73 LEU A O 1 ATOM 1107 C CB . LEU A 1 73 ? 9.519 -2.051 2.722 1.00 0.00 ? 73 LEU A CB 1 ATOM 1108 C CG . LEU A 1 73 ? 9.838 -0.662 2.168 1.00 0.00 ? 73 LEU A CG 1 ATOM 1109 C CD1 . LEU A 1 73 ? 11.018 -0.050 2.907 1.00 0.00 ? 73 LEU A CD1 1 ATOM 1110 C CD2 . LEU A 1 73 ? 10.121 -0.736 0.674 1.00 0.00 ? 73 LEU A CD2 1 ATOM 1111 H H . LEU A 1 73 ? 7.313 -0.946 2.134 1.00 0.00 ? 73 LEU A H 1 ATOM 1112 H HA . LEU A 1 73 ? 8.685 -3.196 1.116 1.00 0.00 ? 73 LEU A HA 1 ATOM 1113 H HB2 . LEU A 1 73 ? 9.289 -1.944 3.771 1.00 0.00 ? 73 LEU A HB2 1 ATOM 1114 H HB3 . LEU A 1 73 ? 10.402 -2.664 2.610 1.00 0.00 ? 73 LEU A HB3 1 ATOM 1115 H HG . LEU A 1 73 ? 8.982 -0.018 2.315 1.00 0.00 ? 73 LEU A HG 1 ATOM 1116 H HD11 . LEU A 1 73 ? 11.354 0.831 2.381 1.00 0.00 ? 73 LEU A HD11 1 ATOM 1117 H HD12 . LEU A 1 73 ? 11.823 -0.769 2.957 1.00 0.00 ? 73 LEU A HD12 1 ATOM 1118 H HD13 . LEU A 1 73 ? 10.715 0.220 3.907 1.00 0.00 ? 73 LEU A HD13 1 ATOM 1119 H HD21 . LEU A 1 73 ? 11.036 -1.284 0.509 1.00 0.00 ? 73 LEU A HD21 1 ATOM 1120 H HD22 . LEU A 1 73 ? 10.224 0.264 0.278 1.00 0.00 ? 73 LEU A HD22 1 ATOM 1121 H HD23 . LEU A 1 73 ? 9.305 -1.239 0.178 1.00 0.00 ? 73 LEU A HD23 1 ATOM 1122 N N . LEU A 1 74 ? 7.002 -3.617 3.894 1.00 0.00 ? 74 LEU A N 1 ATOM 1123 C CA . LEU A 1 74 ? 6.473 -4.619 4.813 1.00 0.00 ? 74 LEU A CA 1 ATOM 1124 C C . LEU A 1 74 ? 5.607 -5.633 4.072 1.00 0.00 ? 74 LEU A C 1 ATOM 1125 O O . LEU A 1 74 ? 5.743 -6.841 4.269 1.00 0.00 ? 74 LEU A O 1 ATOM 1126 C CB . LEU A 1 74 ? 5.659 -3.946 5.919 1.00 0.00 ? 74 LEU A CB 1 ATOM 1127 C CG . LEU A 1 74 ? 6.436 -3.535 7.169 1.00 0.00 ? 74 LEU A CG 1 ATOM 1128 C CD1 . LEU A 1 74 ? 5.524 -2.820 8.154 1.00 0.00 ? 74 LEU A CD1 1 ATOM 1129 C CD2 . LEU A 1 74 ? 7.080 -4.750 7.821 1.00 0.00 ? 74 LEU A CD2 1 ATOM 1130 H H . LEU A 1 74 ? 6.697 -2.689 3.973 1.00 0.00 ? 74 LEU A H 1 ATOM 1131 H HA . LEU A 1 74 ? 7.311 -5.136 5.257 1.00 0.00 ? 74 LEU A HA 1 ATOM 1132 H HB2 . LEU A 1 74 ? 5.207 -3.058 5.503 1.00 0.00 ? 74 LEU A HB2 1 ATOM 1133 H HB3 . LEU A 1 74 ? 4.882 -4.635 6.222 1.00 0.00 ? 74 LEU A HB3 1 ATOM 1134 H HG . LEU A 1 74 ? 7.223 -2.849 6.887 1.00 0.00 ? 74 LEU A HG 1 ATOM 1135 H HD11 . LEU A 1 74 ? 6.055 -2.649 9.078 1.00 0.00 ? 74 LEU A HD11 1 ATOM 1136 H HD12 . LEU A 1 74 ? 4.654 -3.431 8.347 1.00 0.00 ? 74 LEU A HD12 1 ATOM 1137 H HD13 . LEU A 1 74 ? 5.213 -1.874 7.736 1.00 0.00 ? 74 LEU A HD13 1 ATOM 1138 H HD21 . LEU A 1 74 ? 6.526 -5.637 7.553 1.00 0.00 ? 74 LEU A HD21 1 ATOM 1139 H HD22 . LEU A 1 74 ? 7.070 -4.630 8.895 1.00 0.00 ? 74 LEU A HD22 1 ATOM 1140 H HD23 . LEU A 1 74 ? 8.100 -4.844 7.478 1.00 0.00 ? 74 LEU A HD23 1 ATOM 1141 N N . ILE A 1 75 ? 4.718 -5.134 3.220 1.00 0.00 ? 75 ILE A N 1 ATOM 1142 C CA . ILE A 1 75 ? 3.832 -5.997 2.449 1.00 0.00 ? 75 ILE A CA 1 ATOM 1143 C C . ILE A 1 75 ? 4.624 -6.880 1.490 1.00 0.00 ? 75 ILE A C 1 ATOM 1144 O O . ILE A 1 75 ? 4.429 -8.095 1.446 1.00 0.00 ? 75 ILE A O 1 ATOM 1145 C CB . ILE A 1 75 ? 2.807 -5.176 1.645 1.00 0.00 ? 75 ILE A CB 1 ATOM 1146 C CG1 . ILE A 1 75 ? 1.876 -4.415 2.591 1.00 0.00 ? 75 ILE A CG1 1 ATOM 1147 C CG2 . ILE A 1 75 ? 2.007 -6.084 0.723 1.00 0.00 ? 75 ILE A CG2 1 ATOM 1148 C CD1 . ILE A 1 75 ? 1.025 -3.376 1.895 1.00 0.00 ? 75 ILE A CD1 1 ATOM 1149 H H . ILE A 1 75 ? 4.657 -4.163 3.108 1.00 0.00 ? 75 ILE A H 1 ATOM 1150 H HA . ILE A 1 75 ? 3.295 -6.628 3.142 1.00 0.00 ? 75 ILE A HA 1 ATOM 1151 H HB . ILE A 1 75 ? 3.345 -4.468 1.034 1.00 0.00 ? 75 ILE A HB 1 ATOM 1152 H HG12 . ILE A 1 75 ? 1.213 -5.115 3.074 1.00 0.00 ? 75 ILE A HG12 1 ATOM 1153 H HG13 . ILE A 1 75 ? 2.470 -3.912 3.340 1.00 0.00 ? 75 ILE A HG13 1 ATOM 1154 H HG21 . ILE A 1 75 ? 2.449 -6.076 -0.263 1.00 0.00 ? 75 ILE A HG21 1 ATOM 1155 H HG22 . ILE A 1 75 ? 2.018 -7.091 1.112 1.00 0.00 ? 75 ILE A HG22 1 ATOM 1156 H HG23 . ILE A 1 75 ? 0.988 -5.732 0.664 1.00 0.00 ? 75 ILE A HG23 1 ATOM 1157 H HD11 . ILE A 1 75 ? 0.018 -3.415 2.283 1.00 0.00 ? 75 ILE A HD11 1 ATOM 1158 H HD12 . ILE A 1 75 ? 1.441 -2.394 2.069 1.00 0.00 ? 75 ILE A HD12 1 ATOM 1159 H HD13 . ILE A 1 75 ? 1.009 -3.576 0.833 1.00 0.00 ? 75 ILE A HD13 1 ATOM 1160 N N . GLN A 1 76 ? 5.517 -6.262 0.725 1.00 0.00 ? 76 GLN A N 1 ATOM 1161 C CA . GLN A 1 76 ? 6.339 -6.993 -0.232 1.00 0.00 ? 76 GLN A CA 1 ATOM 1162 C C . GLN A 1 76 ? 6.980 -8.213 0.420 1.00 0.00 ? 76 GLN A C 1 ATOM 1163 O O . GLN A 1 76 ? 6.750 -9.346 -0.002 1.00 0.00 ? 76 GLN A O 1 ATOM 1164 C CB . GLN A 1 76 ? 7.423 -6.079 -0.808 1.00 0.00 ? 76 GLN A CB 1 ATOM 1165 C CG . GLN A 1 76 ? 6.953 -5.246 -1.989 1.00 0.00 ? 76 GLN A CG 1 ATOM 1166 C CD . GLN A 1 76 ? 8.102 -4.699 -2.812 1.00 0.00 ? 76 GLN A CD 1 ATOM 1167 O OE1 . GLN A 1 76 ? 8.368 -5.169 -3.919 1.00 0.00 ? 76 GLN A OE1 1 ATOM 1168 N NE2 . GLN A 1 76 ? 8.793 -3.700 -2.275 1.00 0.00 ? 76 GLN A NE2 1 ATOM 1169 H H . GLN A 1 76 ? 5.626 -5.292 0.806 1.00 0.00 ? 76 GLN A H 1 ATOM 1170 H HA . GLN A 1 76 ? 5.697 -7.324 -1.035 1.00 0.00 ? 76 GLN A HA 1 ATOM 1171 H HB2 . GLN A 1 76 ? 7.760 -5.408 -0.032 1.00 0.00 ? 76 GLN A HB2 1 ATOM 1172 H HB3 . GLN A 1 76 ? 8.254 -6.688 -1.133 1.00 0.00 ? 76 GLN A HB3 1 ATOM 1173 H HG2 . GLN A 1 76 ? 6.337 -5.863 -2.626 1.00 0.00 ? 76 GLN A HG2 1 ATOM 1174 H HG3 . GLN A 1 76 ? 6.368 -4.418 -1.618 1.00 0.00 ? 76 GLN A HG3 1 ATOM 1175 H HE21 . GLN A 1 76 ? 8.525 -3.378 -1.388 1.00 0.00 ? 76 GLN A HE21 1 ATOM 1176 H HE22 . GLN A 1 76 ? 9.541 -3.328 -2.784 1.00 0.00 ? 76 GLN A HE22 1 ATOM 1177 N N . GLU A 1 77 ? 7.783 -7.974 1.452 1.00 0.00 ? 77 GLU A N 1 ATOM 1178 C CA . GLU A 1 77 ? 8.457 -9.054 2.161 1.00 0.00 ? 77 GLU A CA 1 ATOM 1179 C C . GLU A 1 77 ? 7.449 -10.074 2.683 1.00 0.00 ? 77 GLU A C 1 ATOM 1180 O O . GLU A 1 77 ? 7.687 -11.281 2.629 1.00 0.00 ? 77 GLU A O 1 ATOM 1181 C CB . GLU A 1 77 ? 9.282 -8.496 3.322 1.00 0.00 ? 77 GLU A CB 1 ATOM 1182 C CG . GLU A 1 77 ? 8.438 -7.933 4.453 1.00 0.00 ? 77 GLU A CG 1 ATOM 1183 C CD . GLU A 1 77 ? 9.259 -7.598 5.683 1.00 0.00 ? 77 GLU A CD 1 ATOM 1184 O OE1 . GLU A 1 77 ? 9.906 -6.530 5.692 1.00 0.00 ? 77 GLU A OE1 1 ATOM 1185 O OE2 . GLU A 1 77 ? 9.253 -8.404 6.637 1.00 0.00 ? 77 GLU A OE2 1 ATOM 1186 H H . GLU A 1 77 ? 7.926 -7.049 1.742 1.00 0.00 ? 77 GLU A H 1 ATOM 1187 H HA . GLU A 1 77 ? 9.120 -9.545 1.465 1.00 0.00 ? 77 GLU A HA 1 ATOM 1188 H HB2 . GLU A 1 77 ? 9.902 -9.285 3.721 1.00 0.00 ? 77 GLU A HB2 1 ATOM 1189 H HB3 . GLU A 1 77 ? 9.918 -7.706 2.949 1.00 0.00 ? 77 GLU A HB3 1 ATOM 1190 H HG2 . GLU A 1 77 ? 7.950 -7.033 4.109 1.00 0.00 ? 77 GLU A HG2 1 ATOM 1191 H HG3 . GLU A 1 77 ? 7.690 -8.664 4.726 1.00 0.00 ? 77 GLU A HG3 1 ATOM 1192 N N . ARG A 1 78 ? 6.324 -9.580 3.189 1.00 0.00 ? 78 ARG A N 1 ATOM 1193 C CA . ARG A 1 78 ? 5.281 -10.447 3.723 1.00 0.00 ? 78 ARG A CA 1 ATOM 1194 C C . ARG A 1 78 ? 4.677 -11.313 2.620 1.00 0.00 ? 78 ARG A C 1 ATOM 1195 O O . ARG A 1 78 ? 3.937 -12.257 2.895 1.00 0.00 ? 78 ARG A O 1 ATOM 1196 C CB . ARG A 1 78 ? 4.185 -9.612 4.389 1.00 0.00 ? 78 ARG A CB 1 ATOM 1197 C CG . ARG A 1 78 ? 4.597 -9.026 5.729 1.00 0.00 ? 78 ARG A CG 1 ATOM 1198 C CD . ARG A 1 78 ? 4.669 -10.097 6.807 1.00 0.00 ? 78 ARG A CD 1 ATOM 1199 N NE . ARG A 1 78 ? 3.344 -10.570 7.198 1.00 0.00 ? 78 ARG A NE 1 ATOM 1200 C CZ . ARG A 1 78 ? 3.135 -11.695 7.873 1.00 0.00 ? 78 ARG A CZ 1 ATOM 1201 N NH1 . ARG A 1 78 ? 4.159 -12.458 8.230 1.00 0.00 ? 78 ARG A NH1 1 ATOM 1202 N NH2 . ARG A 1 78 ? 1.899 -12.058 8.194 1.00 0.00 ? 78 ARG A NH2 1 ATOM 1203 H H . ARG A 1 78 ? 6.193 -8.609 3.204 1.00 0.00 ? 78 ARG A H 1 ATOM 1204 H HA . ARG A 1 78 ? 5.731 -11.091 4.463 1.00 0.00 ? 78 ARG A HA 1 ATOM 1205 H HB2 . ARG A 1 78 ? 3.920 -8.798 3.731 1.00 0.00 ? 78 ARG A HB2 1 ATOM 1206 H HB3 . ARG A 1 78 ? 3.318 -10.237 4.544 1.00 0.00 ? 78 ARG A HB3 1 ATOM 1207 H HG2 . ARG A 1 78 ? 5.569 -8.567 5.628 1.00 0.00 ? 78 ARG A HG2 1 ATOM 1208 H HG3 . ARG A 1 78 ? 3.873 -8.281 6.023 1.00 0.00 ? 78 ARG A HG3 1 ATOM 1209 H HD2 . ARG A 1 78 ? 5.241 -10.931 6.428 1.00 0.00 ? 78 ARG A HD2 1 ATOM 1210 H HD3 . ARG A 1 78 ? 5.165 -9.684 7.672 1.00 0.00 ? 78 ARG A HD3 1 ATOM 1211 H HE . ARG A 1 78 ? 2.573 -10.021 6.945 1.00 0.00 ? 78 ARG A HE 1 ATOM 1212 H HH11 . ARG A 1 78 ? 5.091 -12.186 7.991 1.00 0.00 ? 78 ARG A HH11 1 ATOM 1213 H HH12 . ARG A 1 78 ? 3.999 -13.304 8.739 1.00 0.00 ? 78 ARG A HH12 1 ATOM 1214 H HH21 . ARG A 1 78 ? 1.125 -11.485 7.927 1.00 0.00 ? 78 ARG A HH21 1 ATOM 1215 H HH22 . ARG A 1 78 ? 1.743 -12.905 8.701 1.00 0.00 ? 78 ARG A HH22 1 ATOM 1216 N N . TRP A 1 79 ? 4.997 -10.983 1.375 1.00 0.00 ? 79 TRP A N 1 ATOM 1217 C CA . TRP A 1 79 ? 4.485 -11.730 0.231 1.00 0.00 ? 79 TRP A CA 1 ATOM 1218 C C . TRP A 1 79 ? 5.434 -12.861 -0.149 1.00 0.00 ? 79 TRP A C 1 ATOM 1219 O O . TRP A 1 79 ? 5.080 -14.037 -0.064 1.00 0.00 ? 79 TRP A O 1 ATOM 1220 C CB . TRP A 1 79 ? 4.280 -10.796 -0.963 1.00 0.00 ? 79 TRP A CB 1 ATOM 1221 C CG . TRP A 1 79 ? 3.429 -11.392 -2.044 1.00 0.00 ? 79 TRP A CG 1 ATOM 1222 C CD1 . TRP A 1 79 ? 2.541 -12.421 -1.914 1.00 0.00 ? 79 TRP A CD1 1 ATOM 1223 C CD2 . TRP A 1 79 ? 3.388 -10.996 -3.419 1.00 0.00 ? 79 TRP A CD2 1 ATOM 1224 N NE1 . TRP A 1 79 ? 1.950 -12.689 -3.125 1.00 0.00 ? 79 TRP A NE1 1 ATOM 1225 C CE2 . TRP A 1 79 ? 2.452 -11.827 -4.064 1.00 0.00 ? 79 TRP A CE2 1 ATOM 1226 C CE3 . TRP A 1 79 ? 4.049 -10.018 -4.167 1.00 0.00 ? 79 TRP A CE3 1 ATOM 1227 C CZ2 . TRP A 1 79 ? 2.164 -11.710 -5.422 1.00 0.00 ? 79 TRP A CZ2 1 ATOM 1228 C CZ3 . TRP A 1 79 ? 3.762 -9.903 -5.514 1.00 0.00 ? 79 TRP A CZ3 1 ATOM 1229 C CH2 . TRP A 1 79 ? 2.826 -10.744 -6.130 1.00 0.00 ? 79 TRP A CH2 1 ATOM 1230 H H . TRP A 1 79 ? 5.592 -10.219 1.219 1.00 0.00 ? 79 TRP A H 1 ATOM 1231 H HA . TRP A 1 79 ? 3.532 -12.154 0.513 1.00 0.00 ? 79 TRP A HA 1 ATOM 1232 H HB2 . TRP A 1 79 ? 3.802 -9.889 -0.625 1.00 0.00 ? 79 TRP A HB2 1 ATOM 1233 H HB3 . TRP A 1 79 ? 5.242 -10.555 -1.391 1.00 0.00 ? 79 TRP A HB3 1 ATOM 1234 H HD1 . TRP A 1 79 ? 2.344 -12.941 -0.988 1.00 0.00 ? 79 TRP A HD1 1 ATOM 1235 H HE1 . TRP A 1 79 ? 1.277 -13.382 -3.289 1.00 0.00 ? 79 TRP A HE1 1 ATOM 1236 H HE3 . TRP A 1 79 ? 4.774 -9.360 -3.711 1.00 0.00 ? 79 TRP A HE3 1 ATOM 1237 H HZ2 . TRP A 1 79 ? 1.444 -12.350 -5.911 1.00 0.00 ? 79 TRP A HZ2 1 ATOM 1238 H HZ3 . TRP A 1 79 ? 4.264 -9.154 -6.109 1.00 0.00 ? 79 TRP A HZ3 1 ATOM 1239 H HH2 . TRP A 1 79 ? 2.634 -10.619 -7.184 1.00 0.00 ? 79 TRP A HH2 1 ATOM 1240 N N . LYS A 1 80 ? 6.641 -12.499 -0.569 1.00 0.00 ? 80 LYS A N 1 ATOM 1241 C CA . LYS A 1 80 ? 7.643 -13.483 -0.961 1.00 0.00 ? 80 LYS A CA 1 ATOM 1242 C C . LYS A 1 80 ? 7.701 -14.630 0.043 1.00 0.00 ? 80 LYS A C 1 ATOM 1243 O O . LYS A 1 80 ? 8.011 -15.766 -0.315 1.00 0.00 ? 80 LYS A O 1 ATOM 1244 C CB . LYS A 1 80 ? 9.018 -12.823 -1.078 1.00 0.00 ? 80 LYS A CB 1 ATOM 1245 C CG . LYS A 1 80 ? 9.511 -12.211 0.221 1.00 0.00 ? 80 LYS A CG 1 ATOM 1246 C CD . LYS A 1 80 ? 10.836 -11.492 0.032 1.00 0.00 ? 80 LYS A CD 1 ATOM 1247 C CE . LYS A 1 80 ? 11.578 -11.333 1.350 1.00 0.00 ? 80 LYS A CE 1 ATOM 1248 N NZ . LYS A 1 80 ? 11.892 -12.650 1.972 1.00 0.00 ? 80 LYS A NZ 1 ATOM 1249 H H . LYS A 1 80 ? 6.865 -11.545 -0.616 1.00 0.00 ? 80 LYS A H 1 ATOM 1250 H HA . LYS A 1 80 ? 7.360 -13.879 -1.925 1.00 0.00 ? 80 LYS A HA 1 ATOM 1251 H HB2 . LYS A 1 80 ? 9.735 -13.566 -1.397 1.00 0.00 ? 80 LYS A HB2 1 ATOM 1252 H HB3 . LYS A 1 80 ? 8.967 -12.042 -1.823 1.00 0.00 ? 80 LYS A HB3 1 ATOM 1253 H HG2 . LYS A 1 80 ? 8.778 -11.502 0.576 1.00 0.00 ? 80 LYS A HG2 1 ATOM 1254 H HG3 . LYS A 1 80 ? 9.640 -12.996 0.953 1.00 0.00 ? 80 LYS A HG3 1 ATOM 1255 H HD2 . LYS A 1 80 ? 11.452 -12.062 -0.648 1.00 0.00 ? 80 LYS A HD2 1 ATOM 1256 H HD3 . LYS A 1 80 ? 10.648 -10.513 -0.386 1.00 0.00 ? 80 LYS A HD3 1 ATOM 1257 H HE2 . LYS A 1 80 ? 12.500 -10.803 1.168 1.00 0.00 ? 80 LYS A HE2 1 ATOM 1258 H HE3 . LYS A 1 80 ? 10.962 -10.762 2.028 1.00 0.00 ? 80 LYS A HE3 1 ATOM 1259 H HZ1 . LYS A 1 80 ? 11.561 -13.422 1.359 1.00 0.00 ? 80 LYS A HZ1 1 ATOM 1260 H HZ2 . LYS A 1 80 ? 11.420 -12.729 2.895 1.00 0.00 ? 80 LYS A HZ2 1 ATOM 1261 H HZ3 . LYS A 1 80 ? 12.918 -12.745 2.109 1.00 0.00 ? 80 LYS A HZ3 1 ATOM 1262 N N . ARG A 1 81 ? 7.399 -14.325 1.301 1.00 0.00 ? 81 ARG A N 1 ATOM 1263 C CA . ARG A 1 81 ? 7.417 -15.330 2.356 1.00 0.00 ? 81 ARG A CA 1 ATOM 1264 C C . ARG A 1 81 ? 6.233 -16.282 2.220 1.00 0.00 ? 81 ARG A C 1 ATOM 1265 O O . ARG A 1 81 ? 6.394 -17.501 2.276 1.00 0.00 ? 81 ARG A O 1 ATOM 1266 C CB . ARG A 1 81 ? 7.390 -14.658 3.731 1.00 0.00 ? 81 ARG A CB 1 ATOM 1267 C CG . ARG A 1 81 ? 8.598 -13.777 4.002 1.00 0.00 ? 81 ARG A CG 1 ATOM 1268 C CD . ARG A 1 81 ? 8.390 -12.910 5.233 1.00 0.00 ? 81 ARG A CD 1 ATOM 1269 N NE . ARG A 1 81 ? 8.735 -13.615 6.464 1.00 0.00 ? 81 ARG A NE 1 ATOM 1270 C CZ . ARG A 1 81 ? 8.676 -13.062 7.670 1.00 0.00 ? 81 ARG A CZ 1 ATOM 1271 N NH1 . ARG A 1 81 ? 8.287 -11.802 7.806 1.00 0.00 ? 81 ARG A NH1 1 ATOM 1272 N NH2 . ARG A 1 81 ? 9.006 -13.769 8.743 1.00 0.00 ? 81 ARG A NH2 1 ATOM 1273 H H . ARG A 1 81 ? 7.160 -13.401 1.525 1.00 0.00 ? 81 ARG A H 1 ATOM 1274 H HA . ARG A 1 81 ? 8.332 -15.896 2.260 1.00 0.00 ? 81 ARG A HA 1 ATOM 1275 H HB2 . ARG A 1 81 ? 6.503 -14.046 3.802 1.00 0.00 ? 81 ARG A HB2 1 ATOM 1276 H HB3 . ARG A 1 81 ? 7.352 -15.423 4.491 1.00 0.00 ? 81 ARG A HB3 1 ATOM 1277 H HG2 . ARG A 1 81 ? 9.463 -14.405 4.159 1.00 0.00 ? 81 ARG A HG2 1 ATOM 1278 H HG3 . ARG A 1 81 ? 8.766 -13.139 3.147 1.00 0.00 ? 81 ARG A HG3 1 ATOM 1279 H HD2 . ARG A 1 81 ? 9.011 -12.031 5.148 1.00 0.00 ? 81 ARG A HD2 1 ATOM 1280 H HD3 . ARG A 1 81 ? 7.353 -12.614 5.277 1.00 0.00 ? 81 ARG A HD3 1 ATOM 1281 H HE . ARG A 1 81 ? 9.026 -14.548 6.387 1.00 0.00 ? 81 ARG A HE 1 ATOM 1282 H HH11 . ARG A 1 81 ? 8.036 -11.267 7.000 1.00 0.00 ? 81 ARG A HH11 1 ATOM 1283 H HH12 . ARG A 1 81 ? 8.242 -11.387 8.716 1.00 0.00 ? 81 ARG A HH12 1 ATOM 1284 H HH21 . ARG A 1 81 ? 9.300 -14.719 8.645 1.00 0.00 ? 81 ARG A HH21 1 ATOM 1285 H HH22 . ARG A 1 81 ? 8.962 -13.351 9.650 1.00 0.00 ? 81 ARG A HH22 1 ATOM 1286 N N . ALA A 1 82 ? 5.043 -15.717 2.043 1.00 0.00 ? 82 ALA A N 1 ATOM 1287 C CA . ALA A 1 82 ? 3.832 -16.515 1.897 1.00 0.00 ? 82 ALA A CA 1 ATOM 1288 C C . ALA A 1 82 ? 3.881 -17.360 0.629 1.00 0.00 ? 82 ALA A C 1 ATOM 1289 O O . ALA A 1 82 ? 3.394 -18.491 0.604 1.00 0.00 ? 82 ALA A O 1 ATOM 1290 C CB . ALA A 1 82 ? 2.605 -15.616 1.888 1.00 0.00 ? 82 ALA A CB 1 ATOM 1291 H H . ALA A 1 82 ? 4.979 -14.740 2.007 1.00 0.00 ? 82 ALA A H 1 ATOM 1292 H HA . ALA A 1 82 ? 3.761 -17.172 2.752 1.00 0.00 ? 82 ALA A HA 1 ATOM 1293 H HB1 . ALA A 1 82 ? 1.757 -16.162 2.276 1.00 0.00 ? 82 ALA A HB1 1 ATOM 1294 H HB2 . ALA A 1 82 ? 2.789 -14.750 2.506 1.00 0.00 ? 82 ALA A HB2 1 ATOM 1295 H HB3 . ALA A 1 82 ? 2.398 -15.300 0.877 1.00 0.00 ? 82 ALA A HB3 1 ATOM 1296 N N . LYS A 1 83 ? 4.470 -16.805 -0.424 1.00 0.00 ? 83 LYS A N 1 ATOM 1297 C CA . LYS A 1 83 ? 4.583 -17.506 -1.698 1.00 0.00 ? 83 LYS A CA 1 ATOM 1298 C C . LYS A 1 83 ? 5.162 -18.904 -1.499 1.00 0.00 ? 83 LYS A C 1 ATOM 1299 O O . LYS A 1 83 ? 4.741 -19.859 -2.152 1.00 0.00 ? 83 LYS A O 1 ATOM 1300 C CB . LYS A 1 83 ? 5.463 -16.711 -2.665 1.00 0.00 ? 83 LYS A CB 1 ATOM 1301 C CG . LYS A 1 83 ? 4.951 -15.308 -2.939 1.00 0.00 ? 83 LYS A CG 1 ATOM 1302 C CD . LYS A 1 83 ? 3.858 -15.308 -3.994 1.00 0.00 ? 83 LYS A CD 1 ATOM 1303 C CE . LYS A 1 83 ? 4.436 -15.195 -5.396 1.00 0.00 ? 83 LYS A CE 1 ATOM 1304 N NZ . LYS A 1 83 ? 5.094 -16.459 -5.828 1.00 0.00 ? 83 LYS A NZ 1 ATOM 1305 H H . LYS A 1 83 ? 4.840 -15.900 -0.343 1.00 0.00 ? 83 LYS A H 1 ATOM 1306 H HA . LYS A 1 83 ? 3.592 -17.596 -2.116 1.00 0.00 ? 83 LYS A HA 1 ATOM 1307 H HB2 . LYS A 1 83 ? 6.457 -16.636 -2.250 1.00 0.00 ? 83 LYS A HB2 1 ATOM 1308 H HB3 . LYS A 1 83 ? 5.514 -17.243 -3.605 1.00 0.00 ? 83 LYS A HB3 1 ATOM 1309 H HG2 . LYS A 1 83 ? 4.554 -14.894 -2.024 1.00 0.00 ? 83 LYS A HG2 1 ATOM 1310 H HG3 . LYS A 1 83 ? 5.773 -14.696 -3.285 1.00 0.00 ? 83 LYS A HG3 1 ATOM 1311 H HD2 . LYS A 1 83 ? 3.299 -16.230 -3.921 1.00 0.00 ? 83 LYS A HD2 1 ATOM 1312 H HD3 . LYS A 1 83 ? 3.198 -14.470 -3.817 1.00 0.00 ? 83 LYS A HD3 1 ATOM 1313 H HE2 . LYS A 1 83 ? 3.637 -14.962 -6.083 1.00 0.00 ? 83 LYS A HE2 1 ATOM 1314 H HE3 . LYS A 1 83 ? 5.164 -14.397 -5.408 1.00 0.00 ? 83 LYS A HE3 1 ATOM 1315 H HZ1 . LYS A 1 83 ? 6.074 -16.488 -5.479 1.00 0.00 ? 83 LYS A HZ1 1 ATOM 1316 H HZ2 . LYS A 1 83 ? 5.106 -16.519 -6.866 1.00 0.00 ? 83 LYS A HZ2 1 ATOM 1317 H HZ3 . LYS A 1 83 ? 4.578 -17.279 -5.450 1.00 0.00 ? 83 LYS A HZ3 1 ATOM 1318 N N . ARG A 1 84 ? 6.127 -19.016 -0.593 1.00 0.00 ? 84 ARG A N 1 ATOM 1319 C CA . ARG A 1 84 ? 6.763 -20.297 -0.308 1.00 0.00 ? 84 ARG A CA 1 ATOM 1320 C C . ARG A 1 84 ? 6.069 -21.002 0.853 1.00 0.00 ? 84 ARG A C 1 ATOM 1321 O O . ARG A 1 84 ? 5.788 -22.199 0.786 1.00 0.00 ? 84 ARG A O 1 ATOM 1322 C CB . ARG A 1 84 ? 8.244 -20.095 0.016 1.00 0.00 ? 84 ARG A CB 1 ATOM 1323 C CG . ARG A 1 84 ? 8.828 -21.182 0.904 1.00 0.00 ? 84 ARG A CG 1 ATOM 1324 C CD . ARG A 1 84 ? 8.891 -22.518 0.180 1.00 0.00 ? 84 ARG A CD 1 ATOM 1325 N NE . ARG A 1 84 ? 9.759 -23.471 0.865 1.00 0.00 ? 84 ARG A NE 1 ATOM 1326 C CZ . ARG A 1 84 ? 10.333 -24.507 0.263 1.00 0.00 ? 84 ARG A CZ 1 ATOM 1327 N NH1 . ARG A 1 84 ? 10.133 -24.721 -1.030 1.00 0.00 ? 84 ARG A NH1 1 ATOM 1328 N NH2 . ARG A 1 84 ? 11.111 -25.330 0.955 1.00 0.00 ? 84 ARG A NH2 1 ATOM 1329 H H . ARG A 1 84 ? 6.420 -18.219 -0.104 1.00 0.00 ? 84 ARG A H 1 ATOM 1330 H HA . ARG A 1 84 ? 6.678 -20.913 -1.191 1.00 0.00 ? 84 ARG A HA 1 ATOM 1331 H HB2 . ARG A 1 84 ? 8.804 -20.076 -0.908 1.00 0.00 ? 84 ARG A HB2 1 ATOM 1332 H HB3 . ARG A 1 84 ? 8.364 -19.147 0.519 1.00 0.00 ? 84 ARG A HB3 1 ATOM 1333 H HG2 . ARG A 1 84 ? 9.827 -20.897 1.197 1.00 0.00 ? 84 ARG A HG2 1 ATOM 1334 H HG3 . ARG A 1 84 ? 8.208 -21.287 1.782 1.00 0.00 ? 84 ARG A HG3 1 ATOM 1335 H HD2 . ARG A 1 84 ? 7.894 -22.929 0.123 1.00 0.00 ? 84 ARG A HD2 1 ATOM 1336 H HD3 . ARG A 1 84 ? 9.269 -22.353 -0.818 1.00 0.00 ? 84 ARG A HD3 1 ATOM 1337 H HE . ARG A 1 84 ? 9.921 -23.332 1.821 1.00 0.00 ? 84 ARG A HE 1 ATOM 1338 H HH11 . ARG A 1 84 ? 9.549 -24.101 -1.554 1.00 0.00 ? 84 ARG A HH11 1 ATOM 1339 H HH12 . ARG A 1 84 ? 10.568 -25.501 -1.481 1.00 0.00 ? 84 ARG A HH12 1 ATOM 1340 H HH21 . ARG A 1 84 ? 11.264 -25.172 1.930 1.00 0.00 ? 84 ARG A HH21 1 ATOM 1341 H HH22 . ARG A 1 84 ? 11.542 -26.109 0.501 1.00 0.00 ? 84 ARG A HH22 1 ATOM 1342 N N . GLU A 1 85 ? 5.797 -20.253 1.917 1.00 0.00 ? 85 GLU A N 1 ATOM 1343 C CA . GLU A 1 85 ? 5.137 -20.807 3.093 1.00 0.00 ? 85 GLU A CA 1 ATOM 1344 C C . GLU A 1 85 ? 3.742 -21.318 2.744 1.00 0.00 ? 85 GLU A C 1 ATOM 1345 O O . GLU A 1 85 ? 3.468 -22.515 2.832 1.00 0.00 ? 85 GLU A O 1 ATOM 1346 C CB . GLU A 1 85 ? 5.044 -19.753 4.198 1.00 0.00 ? 85 GLU A CB 1 ATOM 1347 C CG . GLU A 1 85 ? 6.393 -19.204 4.630 1.00 0.00 ? 85 GLU A CG 1 ATOM 1348 C CD . GLU A 1 85 ? 7.075 -20.081 5.663 1.00 0.00 ? 85 GLU A CD 1 ATOM 1349 O OE1 . GLU A 1 85 ? 6.447 -20.368 6.704 1.00 0.00 ? 85 GLU A OE1 1 ATOM 1350 O OE2 . GLU A 1 85 ? 8.236 -20.478 5.431 1.00 0.00 ? 85 GLU A OE2 1 ATOM 1351 H H . GLU A 1 85 ? 6.046 -19.305 1.910 1.00 0.00 ? 85 GLU A H 1 ATOM 1352 H HA . GLU A 1 85 ? 5.732 -21.635 3.447 1.00 0.00 ? 85 GLU A HA 1 ATOM 1353 H HB2 . GLU A 1 85 ? 4.440 -18.930 3.844 1.00 0.00 ? 85 GLU A HB2 1 ATOM 1354 H HB3 . GLU A 1 85 ? 4.565 -20.194 5.060 1.00 0.00 ? 85 GLU A HB3 1 ATOM 1355 H HG2 . GLU A 1 85 ? 7.033 -19.132 3.764 1.00 0.00 ? 85 GLU A HG2 1 ATOM 1356 H HG3 . GLU A 1 85 ? 6.249 -18.221 5.053 1.00 0.00 ? 85 GLU A HG3 1 ATOM 1357 N N . GLU A 1 86 ? 2.864 -20.402 2.348 1.00 0.00 ? 86 GLU A N 1 ATOM 1358 C CA . GLU A 1 86 ? 1.497 -20.760 1.987 1.00 0.00 ? 86 GLU A CA 1 ATOM 1359 C C . GLU A 1 86 ? 1.476 -22.000 1.098 1.00 0.00 ? 86 GLU A C 1 ATOM 1360 O O . GLU A 1 86 ? 0.731 -22.946 1.353 1.00 0.00 ? 86 GLU A O 1 ATOM 1361 C CB . GLU A 1 86 ? 0.813 -19.593 1.271 1.00 0.00 ? 86 GLU A CB 1 ATOM 1362 C CG . GLU A 1 86 ? -0.697 -19.738 1.177 1.00 0.00 ? 86 GLU A CG 1 ATOM 1363 C CD . GLU A 1 86 ? -1.275 -19.038 -0.037 1.00 0.00 ? 86 GLU A CD 1 ATOM 1364 O OE1 . GLU A 1 86 ? -1.159 -19.590 -1.151 1.00 0.00 ? 86 GLU A OE1 1 ATOM 1365 O OE2 . GLU A 1 86 ? -1.844 -17.938 0.126 1.00 0.00 ? 86 GLU A OE2 1 ATOM 1366 H H . GLU A 1 86 ? 3.142 -19.463 2.298 1.00 0.00 ? 86 GLU A H 1 ATOM 1367 H HA . GLU A 1 86 ? 0.960 -20.976 2.898 1.00 0.00 ? 86 GLU A HA 1 ATOM 1368 H HB2 . GLU A 1 86 ? 1.035 -18.680 1.803 1.00 0.00 ? 86 GLU A HB2 1 ATOM 1369 H HB3 . GLU A 1 86 ? 1.209 -19.520 0.269 1.00 0.00 ? 86 GLU A HB3 1 ATOM 1370 H HG2 . GLU A 1 86 ? -0.942 -20.788 1.120 1.00 0.00 ? 86 GLU A HG2 1 ATOM 1371 H HG3 . GLU A 1 86 ? -1.142 -19.314 2.066 1.00 0.00 ? 86 GLU A HG3 1 ATOM 1372 N N . ARG A 1 87 ? 2.298 -21.986 0.054 1.00 0.00 ? 87 ARG A N 1 ATOM 1373 C CA . ARG A 1 87 ? 2.373 -23.107 -0.874 1.00 0.00 ? 87 ARG A CA 1 ATOM 1374 C C . ARG A 1 87 ? 2.677 -24.406 -0.134 1.00 0.00 ? 87 ARG A C 1 ATOM 1375 O O . ARG A 1 87 ? 2.280 -25.489 -0.568 1.00 0.00 ? 87 ARG A O 1 ATOM 1376 C CB . ARG A 1 87 ? 3.445 -22.849 -1.935 1.00 0.00 ? 87 ARG A CB 1 ATOM 1377 C CG . ARG A 1 87 ? 2.943 -22.050 -3.126 1.00 0.00 ? 87 ARG A CG 1 ATOM 1378 C CD . ARG A 1 87 ? 2.082 -22.902 -4.045 1.00 0.00 ? 87 ARG A CD 1 ATOM 1379 N NE . ARG A 1 87 ? 1.674 -22.173 -5.244 1.00 0.00 ? 87 ARG A NE 1 ATOM 1380 C CZ . ARG A 1 87 ? 1.109 -22.751 -6.298 1.00 0.00 ? 87 ARG A CZ 1 ATOM 1381 N NH1 . ARG A 1 87 ? 0.886 -24.058 -6.302 1.00 0.00 ? 87 ARG A NH1 1 ATOM 1382 N NH2 . ARG A 1 87 ? 0.765 -22.021 -7.351 1.00 0.00 ? 87 ARG A NH2 1 ATOM 1383 H H . ARG A 1 87 ? 2.867 -21.202 -0.097 1.00 0.00 ? 87 ARG A H 1 ATOM 1384 H HA . ARG A 1 87 ? 1.413 -23.200 -1.361 1.00 0.00 ? 87 ARG A HA 1 ATOM 1385 H HB2 . ARG A 1 87 ? 4.259 -22.303 -1.481 1.00 0.00 ? 87 ARG A HB2 1 ATOM 1386 H HB3 . ARG A 1 87 ? 3.814 -23.797 -2.295 1.00 0.00 ? 87 ARG A HB3 1 ATOM 1387 H HG2 . ARG A 1 87 ? 2.354 -21.218 -2.768 1.00 0.00 ? 87 ARG A HG2 1 ATOM 1388 H HG3 . ARG A 1 87 ? 3.791 -21.680 -3.682 1.00 0.00 ? 87 ARG A HG3 1 ATOM 1389 H HD2 . ARG A 1 87 ? 2.647 -23.773 -4.341 1.00 0.00 ? 87 ARG A HD2 1 ATOM 1390 H HD3 . ARG A 1 87 ? 1.200 -23.211 -3.505 1.00 0.00 ? 87 ARG A HD3 1 ATOM 1391 H HE . ARG A 1 87 ? 1.829 -21.206 -5.262 1.00 0.00 ? 87 ARG A HE 1 ATOM 1392 H HH11 . ARG A 1 87 ? 1.143 -24.611 -5.510 1.00 0.00 ? 87 ARG A HH11 1 ATOM 1393 H HH12 . ARG A 1 87 ? 0.460 -24.490 -7.097 1.00 0.00 ? 87 ARG A HH12 1 ATOM 1394 H HH21 . ARG A 1 87 ? 0.931 -21.035 -7.352 1.00 0.00 ? 87 ARG A HH21 1 ATOM 1395 H HH22 . ARG A 1 87 ? 0.341 -22.456 -8.144 1.00 0.00 ? 87 ARG A HH22 1 ATOM 1396 N N . LEU A 1 88 ? 3.384 -24.292 0.985 1.00 0.00 ? 88 LEU A N 1 ATOM 1397 C CA . LEU A 1 88 ? 3.742 -25.457 1.786 1.00 0.00 ? 88 LEU A CA 1 ATOM 1398 C C . LEU A 1 88 ? 2.601 -25.847 2.721 1.00 0.00 ? 88 LEU A C 1 ATOM 1399 O O . LEU A 1 88 ? 2.147 -26.992 2.720 1.00 0.00 ? 88 LEU A O 1 ATOM 1400 C CB . LEU A 1 88 ? 5.007 -25.173 2.598 1.00 0.00 ? 88 LEU A CB 1 ATOM 1401 C CG . LEU A 1 88 ? 6.327 -25.237 1.828 1.00 0.00 ? 88 LEU A CG 1 ATOM 1402 C CD1 . LEU A 1 88 ? 7.401 -24.432 2.543 1.00 0.00 ? 88 LEU A CD1 1 ATOM 1403 C CD2 . LEU A 1 88 ? 6.771 -26.681 1.649 1.00 0.00 ? 88 LEU A CD2 1 ATOM 1404 H H . LEU A 1 88 ? 3.672 -23.404 1.280 1.00 0.00 ? 88 LEU A H 1 ATOM 1405 H HA . LEU A 1 88 ? 3.934 -26.277 1.110 1.00 0.00 ? 88 LEU A HA 1 ATOM 1406 H HB2 . LEU A 1 88 ? 4.916 -24.182 3.016 1.00 0.00 ? 88 LEU A HB2 1 ATOM 1407 H HB3 . LEU A 1 88 ? 5.055 -25.897 3.399 1.00 0.00 ? 88 LEU A HB3 1 ATOM 1408 H HG . LEU A 1 88 ? 6.185 -24.806 0.847 1.00 0.00 ? 88 LEU A HG 1 ATOM 1409 H HD11 . LEU A 1 88 ? 7.077 -24.213 3.549 1.00 0.00 ? 88 LEU A HD11 1 ATOM 1410 H HD12 . LEU A 1 88 ? 7.573 -23.508 2.011 1.00 0.00 ? 88 LEU A HD12 1 ATOM 1411 H HD13 . LEU A 1 88 ? 8.317 -25.004 2.575 1.00 0.00 ? 88 LEU A HD13 1 ATOM 1412 H HD21 . LEU A 1 88 ? 6.240 -27.120 0.817 1.00 0.00 ? 88 LEU A HD21 1 ATOM 1413 H HD22 . LEU A 1 88 ? 6.553 -27.239 2.549 1.00 0.00 ? 88 LEU A HD22 1 ATOM 1414 H HD23 . LEU A 1 88 ? 7.832 -26.710 1.455 1.00 0.00 ? 88 LEU A HD23 1 ATOM 1415 N N . LYS A 1 89 ? 2.141 -24.888 3.516 1.00 0.00 ? 89 LYS A N 1 ATOM 1416 C CA . LYS A 1 89 ? 1.050 -25.128 4.453 1.00 0.00 ? 89 LYS A CA 1 ATOM 1417 C C . LYS A 1 89 ? -0.247 -25.435 3.712 1.00 0.00 ? 89 LYS A C 1 ATOM 1418 O O . LYS A 1 89 ? -1.173 -26.016 4.277 1.00 0.00 ? 89 LYS A O 1 ATOM 1419 C CB . LYS A 1 89 ? 0.855 -23.913 5.363 1.00 0.00 ? 89 LYS A CB 1 ATOM 1420 C CG . LYS A 1 89 ? 0.603 -22.621 4.606 1.00 0.00 ? 89 LYS A CG 1 ATOM 1421 C CD . LYS A 1 89 ? -0.270 -21.668 5.405 1.00 0.00 ? 89 LYS A CD 1 ATOM 1422 C CE . LYS A 1 89 ? -0.825 -20.554 4.530 1.00 0.00 ? 89 LYS A CE 1 ATOM 1423 N NZ . LYS A 1 89 ? 0.093 -19.382 4.475 1.00 0.00 ? 89 LYS A NZ 1 ATOM 1424 H H . LYS A 1 89 ? 2.544 -23.995 3.470 1.00 0.00 ? 89 LYS A H 1 ATOM 1425 H HA . LYS A 1 89 ? 1.315 -25.982 5.059 1.00 0.00 ? 89 LYS A HA 1 ATOM 1426 H HB2 . LYS A 1 89 ? 0.012 -24.096 6.012 1.00 0.00 ? 89 LYS A HB2 1 ATOM 1427 H HB3 . LYS A 1 89 ? 1.742 -23.785 5.967 1.00 0.00 ? 89 LYS A HB3 1 ATOM 1428 H HG2 . LYS A 1 89 ? 1.549 -22.141 4.405 1.00 0.00 ? 89 LYS A HG2 1 ATOM 1429 H HG3 . LYS A 1 89 ? 0.108 -22.851 3.673 1.00 0.00 ? 89 LYS A HG3 1 ATOM 1430 H HD2 . LYS A 1 89 ? -1.095 -22.220 5.831 1.00 0.00 ? 89 LYS A HD2 1 ATOM 1431 H HD3 . LYS A 1 89 ? 0.321 -21.231 6.198 1.00 0.00 ? 89 LYS A HD3 1 ATOM 1432 H HE2 . LYS A 1 89 ? -0.968 -20.936 3.531 1.00 0.00 ? 89 LYS A HE2 1 ATOM 1433 H HE3 . LYS A 1 89 ? -1.776 -20.237 4.934 1.00 0.00 ? 89 LYS A HE3 1 ATOM 1434 H HZ1 . LYS A 1 89 ? 1.072 -19.688 4.643 1.00 0.00 ? 89 LYS A HZ1 1 ATOM 1435 H HZ2 . LYS A 1 89 ? -0.171 -18.688 5.203 1.00 0.00 ? 89 LYS A HZ2 1 ATOM 1436 H HZ3 . LYS A 1 89 ? 0.037 -18.928 3.542 1.00 0.00 ? 89 LYS A HZ3 1 ATOM 1437 N N . ALA A 1 90 ? -0.306 -25.042 2.444 1.00 0.00 ? 90 ALA A N 1 ATOM 1438 C CA . ALA A 1 90 ? -1.488 -25.279 1.625 1.00 0.00 ? 90 ALA A CA 1 ATOM 1439 C C . ALA A 1 90 ? -1.477 -26.686 1.038 1.00 0.00 ? 90 ALA A C 1 ATOM 1440 O O . ALA A 1 90 ? -0.446 -27.163 0.562 1.00 0.00 ? 90 ALA A O 1 ATOM 1441 C CB . ALA A 1 90 ? -1.576 -24.243 0.514 1.00 0.00 ? 90 ALA A CB 1 ATOM 1442 H H . ALA A 1 90 ? 0.465 -24.584 2.049 1.00 0.00 ? 90 ALA A H 1 ATOM 1443 H HA . ALA A 1 90 ? -2.358 -25.169 2.256 1.00 0.00 ? 90 ALA A HA 1 ATOM 1444 H HB1 . ALA A 1 90 ? -2.422 -24.467 -0.120 1.00 0.00 ? 90 ALA A HB1 1 ATOM 1445 H HB2 . ALA A 1 90 ? -1.700 -23.261 0.946 1.00 0.00 ? 90 ALA A HB2 1 ATOM 1446 H HB3 . ALA A 1 90 ? -0.670 -24.266 -0.073 1.00 0.00 ? 90 ALA A HB3 1 ATOM 1447 N N . HIS A 1 91 ? -2.630 -27.347 1.077 1.00 0.00 ? 91 HIS A N 1 ATOM 1448 C CA . HIS A 1 91 ? -2.752 -28.701 0.549 1.00 0.00 ? 91 HIS A CA 1 ATOM 1449 C C . HIS A 1 91 ? -2.610 -28.707 -0.970 1.00 0.00 ? 91 HIS A C 1 ATOM 1450 O O . HIS A 1 91 ? -3.557 -28.397 -1.693 1.00 0.00 ? 91 HIS A O 1 ATOM 1451 C CB . HIS A 1 91 ? -4.098 -29.308 0.949 1.00 0.00 ? 91 HIS A CB 1 ATOM 1452 C CG . HIS A 1 91 ? -4.135 -30.802 0.851 1.00 0.00 ? 91 HIS A CG 1 ATOM 1453 N ND1 . HIS A 1 91 ? -4.451 -31.618 1.915 1.00 0.00 ? 91 HIS A ND1 1 ATOM 1454 C CD2 . HIS A 1 91 ? -3.894 -31.626 -0.196 1.00 0.00 ? 91 HIS A CD2 1 ATOM 1455 C CE1 . HIS A 1 91 ? -4.402 -32.881 1.529 1.00 0.00 ? 91 HIS A CE1 1 ATOM 1456 N NE2 . HIS A 1 91 ? -4.066 -32.913 0.252 1.00 0.00 ? 91 HIS A NE2 1 ATOM 1457 H H . HIS A 1 91 ? -3.416 -26.914 1.469 1.00 0.00 ? 91 HIS A H 1 ATOM 1458 H HA . HIS A 1 91 ? -1.959 -29.296 0.974 1.00 0.00 ? 91 HIS A HA 1 ATOM 1459 H HB2 . HIS A 1 91 ? -4.317 -29.038 1.972 1.00 0.00 ? 91 HIS A HB2 1 ATOM 1460 H HB3 . HIS A 1 91 ? -4.870 -28.912 0.304 1.00 0.00 ? 91 HIS A HB3 1 ATOM 1461 H HD1 . HIS A 1 91 ? -4.677 -31.318 2.820 1.00 0.00 ? 91 HIS A HD1 1 ATOM 1462 H HD2 . HIS A 1 91 ? -3.617 -31.328 -1.197 1.00 0.00 ? 91 HIS A HD2 1 ATOM 1463 H HE1 . HIS A 1 91 ? -4.602 -33.741 2.150 1.00 0.00 ? 91 HIS A HE1 1 ATOM 1464 H HE2 . HIS A 1 91 ? -3.876 -33.725 -0.261 1.00 0.00 ? 91 HIS A HE2 1 ATOM 1465 N N . SER A 1 92 ? -1.421 -29.061 -1.447 1.00 0.00 ? 92 SER A N 1 ATOM 1466 C CA . SER A 1 92 ? -1.154 -29.103 -2.880 1.00 0.00 ? 92 SER A CA 1 ATOM 1467 C C . SER A 1 92 ? 0.102 -29.917 -3.175 1.00 0.00 ? 92 SER A C 1 ATOM 1468 O O . SER A 1 92 ? 0.849 -30.278 -2.267 1.00 0.00 ? 92 SER A O 1 ATOM 1469 C CB . SER A 1 92 ? -0.997 -27.685 -3.433 1.00 0.00 ? 92 SER A CB 1 ATOM 1470 O OG . SER A 1 92 ? -2.251 -27.144 -3.812 1.00 0.00 ? 92 SER A OG 1 ATOM 1471 H H . SER A 1 92 ? -0.706 -29.298 -0.820 1.00 0.00 ? 92 SER A H 1 ATOM 1472 H HA . SER A 1 92 ? -1.997 -29.576 -3.361 1.00 0.00 ? 92 SER A HA 1 ATOM 1473 H HB2 . SER A 1 92 ? -0.560 -27.052 -2.675 1.00 0.00 ? 92 SER A HB2 1 ATOM 1474 H HB3 . SER A 1 92 ? -0.352 -27.708 -4.299 1.00 0.00 ? 92 SER A HB3 1 ATOM 1475 H HG . SER A 1 92 ? -2.794 -27.015 -3.030 1.00 0.00 ? 92 SER A HG 1 ATOM 1476 N N . GLY A 1 93 ? 0.327 -30.205 -4.454 1.00 0.00 ? 93 GLY A N 1 ATOM 1477 C CA . GLY A 1 93 ? 1.493 -30.975 -4.847 1.00 0.00 ? 93 GLY A CA 1 ATOM 1478 C C . GLY A 1 93 ? 1.221 -32.466 -4.872 1.00 0.00 ? 93 GLY A C 1 ATOM 1479 O O . GLY A 1 93 ? 0.077 -32.908 -4.977 1.00 0.00 ? 93 GLY A O 1 ATOM 1480 H H . GLY A 1 93 ? -0.304 -29.891 -5.135 1.00 0.00 ? 93 GLY A H 1 ATOM 1481 H HA2 . GLY A 1 93 ? 1.803 -30.659 -5.832 1.00 0.00 ? 93 GLY A HA2 1 ATOM 1482 H HA3 . GLY A 1 93 ? 2.292 -30.778 -4.148 1.00 0.00 ? 93 GLY A HA3 1 ATOM 1483 N N . PRO A 1 94 ? 2.292 -33.268 -4.776 1.00 0.00 ? 94 PRO A N 1 ATOM 1484 C CA . PRO A 1 94 ? 2.189 -34.730 -4.787 1.00 0.00 ? 94 PRO A CA 1 ATOM 1485 C C . PRO A 1 94 ? 1.544 -35.275 -3.517 1.00 0.00 ? 94 PRO A C 1 ATOM 1486 O O . PRO A 1 94 ? 1.661 -34.681 -2.446 1.00 0.00 ? 94 PRO A O 1 ATOM 1487 C CB . PRO A 1 94 ? 3.646 -35.187 -4.886 1.00 0.00 ? 94 PRO A CB 1 ATOM 1488 C CG . PRO A 1 94 ? 4.436 -34.066 -4.304 1.00 0.00 ? 94 PRO A CG 1 ATOM 1489 C CD . PRO A 1 94 ? 3.685 -32.809 -4.649 1.00 0.00 ? 94 PRO A CD 1 ATOM 1490 H HA . PRO A 1 94 ? 1.640 -35.083 -5.648 1.00 0.00 ? 94 PRO A HA 1 ATOM 1491 H HB2 . PRO A 1 94 ? 3.779 -36.099 -4.321 1.00 0.00 ? 94 PRO A HB2 1 ATOM 1492 H HB3 . PRO A 1 94 ? 3.905 -35.357 -5.920 1.00 0.00 ? 94 PRO A HB3 1 ATOM 1493 H HG2 . PRO A 1 94 ? 4.503 -34.180 -3.233 1.00 0.00 ? 94 PRO A HG2 1 ATOM 1494 H HG3 . PRO A 1 94 ? 5.422 -34.045 -4.743 1.00 0.00 ? 94 PRO A HG3 1 ATOM 1495 H HD2 . PRO A 1 94 ? 3.781 -32.082 -3.856 1.00 0.00 ? 94 PRO A HD2 1 ATOM 1496 H HD3 . PRO A 1 94 ? 4.043 -32.400 -5.583 1.00 0.00 ? 94 PRO A HD3 1 ATOM 1497 N N . SER A 1 95 ? 0.864 -36.410 -3.645 1.00 0.00 ? 95 SER A N 1 ATOM 1498 C CA . SER A 1 95 ? 0.198 -37.034 -2.508 1.00 0.00 ? 95 SER A CA 1 ATOM 1499 C C . SER A 1 95 ? 0.797 -38.406 -2.213 1.00 0.00 ? 95 SER A C 1 ATOM 1500 O O . SER A 1 95 ? 1.605 -38.922 -2.985 1.00 0.00 ? 95 SER A O 1 ATOM 1501 C CB . SER A 1 95 ? -1.302 -37.167 -2.778 1.00 0.00 ? 95 SER A CB 1 ATOM 1502 O OG . SER A 1 95 ? -1.542 -37.887 -3.975 1.00 0.00 ? 95 SER A OG 1 ATOM 1503 H H . SER A 1 95 ? 0.807 -36.837 -4.526 1.00 0.00 ? 95 SER A H 1 ATOM 1504 H HA . SER A 1 95 ? 0.345 -36.398 -1.647 1.00 0.00 ? 95 SER A HA 1 ATOM 1505 H HB2 . SER A 1 95 ? -1.768 -37.690 -1.957 1.00 0.00 ? 95 SER A HB2 1 ATOM 1506 H HB3 . SER A 1 95 ? -1.737 -36.182 -2.871 1.00 0.00 ? 95 SER A HB3 1 ATOM 1507 H HG . SER A 1 95 ? -1.438 -37.301 -4.728 1.00 0.00 ? 95 SER A HG 1 ATOM 1508 N N . SER A 1 96 ? 0.394 -38.992 -1.090 1.00 0.00 ? 96 SER A N 1 ATOM 1509 C CA . SER A 1 96 ? 0.893 -40.302 -0.690 1.00 0.00 ? 96 SER A CA 1 ATOM 1510 C C . SER A 1 96 ? 0.340 -41.395 -1.600 1.00 0.00 ? 96 SER A C 1 ATOM 1511 O O . SER A 1 96 ? 1.094 -42.114 -2.254 1.00 0.00 ? 96 SER A O 1 ATOM 1512 C CB . SER A 1 96 ? 0.514 -40.594 0.764 1.00 0.00 ? 96 SER A CB 1 ATOM 1513 O OG . SER A 1 96 ? 1.274 -41.671 1.283 1.00 0.00 ? 96 SER A OG 1 ATOM 1514 H H . SER A 1 96 ? -0.252 -38.530 -0.515 1.00 0.00 ? 96 SER A H 1 ATOM 1515 H HA . SER A 1 96 ? 1.969 -40.288 -0.776 1.00 0.00 ? 96 SER A HA 1 ATOM 1516 H HB2 . SER A 1 96 ? 0.699 -39.716 1.364 1.00 0.00 ? 96 SER A HB2 1 ATOM 1517 H HB3 . SER A 1 96 ? -0.534 -40.850 0.815 1.00 0.00 ? 96 SER A HB3 1 ATOM 1518 H HG . SER A 1 96 ? 1.494 -42.279 0.573 1.00 0.00 ? 96 SER A HG 1 ATOM 1519 N N . GLY A 1 97 ? -0.984 -41.513 -1.636 1.00 0.00 ? 97 GLY A N 1 ATOM 1520 C CA . GLY A 1 97 ? -1.616 -42.520 -2.468 1.00 0.00 ? 97 GLY A CA 1 ATOM 1521 C C . GLY A 1 97 ? -2.776 -41.964 -3.270 1.00 0.00 ? 97 GLY A C 1 ATOM 1522 O O . GLY A 1 97 ? -3.082 -40.774 -3.189 1.00 0.00 ? 97 GLY A O 1 ATOM 1523 H H . GLY A 1 97 ? -1.536 -40.912 -1.092 1.00 0.00 ? 97 GLY A H 1 ATOM 1524 H HA2 . GLY A 1 97 ? -0.881 -42.923 -3.148 1.00 0.00 ? 97 GLY A HA2 1 ATOM 1525 H HA3 . GLY A 1 97 ? -1.981 -43.316 -1.835 1.00 0.00 ? 97 GLY A HA3 1 ATOM 1526 N N . GLY A 1 1 ? 3.578 13.881 17.425 1.00 0.00 ? 1 GLY A N 2 ATOM 1527 C CA . GLY A 1 1 ? 3.802 15.292 17.173 1.00 0.00 ? 1 GLY A CA 2 ATOM 1528 C C . GLY A 1 1 ? 2.508 16.068 17.027 1.00 0.00 ? 1 GLY A C 2 ATOM 1529 O O . GLY A 1 1 ? 1.463 15.643 17.519 1.00 0.00 ? 1 GLY A O 2 ATOM 1530 H H1 . GLY A 1 1 ? 3.123 13.331 16.752 1.00 0.00 ? 1 GLY A H1 2 ATOM 1531 H HA2 . GLY A 1 1 ? 4.368 15.707 17.993 1.00 0.00 ? 1 GLY A HA2 2 ATOM 1532 H HA3 . GLY A 1 1 ? 4.376 15.397 16.264 1.00 0.00 ? 1 GLY A HA3 2 ATOM 1533 N N . SER A 1 2 ? 2.578 17.210 16.351 1.00 0.00 ? 2 SER A N 2 ATOM 1534 C CA . SER A 1 2 ? 1.404 18.050 16.147 1.00 0.00 ? 2 SER A CA 2 ATOM 1535 C C . SER A 1 2 ? 0.302 17.278 15.427 1.00 0.00 ? 2 SER A C 2 ATOM 1536 O O . SER A 1 2 ? 0.523 16.713 14.356 1.00 0.00 ? 2 SER A O 2 ATOM 1537 C CB . SER A 1 2 ? 1.777 19.298 15.343 1.00 0.00 ? 2 SER A CB 2 ATOM 1538 O OG . SER A 1 2 ? 2.306 18.949 14.076 1.00 0.00 ? 2 SER A OG 2 ATOM 1539 H H . SER A 1 2 ? 3.440 17.496 15.983 1.00 0.00 ? 2 SER A H 2 ATOM 1540 H HA . SER A 1 2 ? 1.040 18.353 17.117 1.00 0.00 ? 2 SER A HA 2 ATOM 1541 H HB2 . SER A 1 2 ? 0.897 19.905 15.197 1.00 0.00 ? 2 SER A HB2 2 ATOM 1542 H HB3 . SER A 1 2 ? 2.519 19.864 15.887 1.00 0.00 ? 2 SER A HB3 2 ATOM 1543 H HG . SER A 1 2 ? 1.875 18.152 13.757 1.00 0.00 ? 2 SER A HG 2 ATOM 1544 N N . SER A 1 3 ? -0.886 17.260 16.023 1.00 0.00 ? 3 SER A N 2 ATOM 1545 C CA . SER A 1 3 ? -2.022 16.555 15.442 1.00 0.00 ? 3 SER A CA 2 ATOM 1546 C C . SER A 1 3 ? -3.127 17.532 15.053 1.00 0.00 ? 3 SER A C 2 ATOM 1547 O O . SER A 1 3 ? -3.945 17.924 15.884 1.00 0.00 ? 3 SER A O 2 ATOM 1548 C CB . SER A 1 3 ? -2.565 15.519 16.429 1.00 0.00 ? 3 SER A CB 2 ATOM 1549 O OG . SER A 1 3 ? -1.747 14.363 16.457 1.00 0.00 ? 3 SER A OG 2 ATOM 1550 H H . SER A 1 3 ? -0.999 17.730 16.876 1.00 0.00 ? 3 SER A H 2 ATOM 1551 H HA . SER A 1 3 ? -1.677 16.046 14.554 1.00 0.00 ? 3 SER A HA 2 ATOM 1552 H HB2 . SER A 1 3 ? -2.595 15.949 17.418 1.00 0.00 ? 3 SER A HB2 2 ATOM 1553 H HB3 . SER A 1 3 ? -3.564 15.232 16.131 1.00 0.00 ? 3 SER A HB3 2 ATOM 1554 H HG . SER A 1 3 ? -1.284 14.277 15.621 1.00 0.00 ? 3 SER A HG 2 ATOM 1555 N N . GLY A 1 4 ? -3.143 17.922 13.782 1.00 0.00 ? 4 GLY A N 2 ATOM 1556 C CA . GLY A 1 4 ? -4.150 18.850 13.303 1.00 0.00 ? 4 GLY A CA 2 ATOM 1557 C C . GLY A 1 4 ? -4.146 18.983 11.793 1.00 0.00 ? 4 GLY A C 2 ATOM 1558 O O . GLY A 1 4 ? -3.086 19.069 11.174 1.00 0.00 ? 4 GLY A O 2 ATOM 1559 H H . GLY A 1 4 ? -2.465 17.576 13.164 1.00 0.00 ? 4 GLY A H 2 ATOM 1560 H HA2 . GLY A 1 4 ? -5.123 18.505 13.622 1.00 0.00 ? 4 GLY A HA2 2 ATOM 1561 H HA3 . GLY A 1 4 ? -3.964 19.821 13.739 1.00 0.00 ? 4 GLY A HA3 2 ATOM 1562 N N . SER A 1 5 ? -5.335 18.997 11.199 1.00 0.00 ? 5 SER A N 2 ATOM 1563 C CA . SER A 1 5 ? -5.465 19.114 9.751 1.00 0.00 ? 5 SER A CA 2 ATOM 1564 C C . SER A 1 5 ? -4.862 20.425 9.256 1.00 0.00 ? 5 SER A C 2 ATOM 1565 O O . SER A 1 5 ? -5.537 21.454 9.212 1.00 0.00 ? 5 SER A O 2 ATOM 1566 C CB . SER A 1 5 ? -6.936 19.029 9.341 1.00 0.00 ? 5 SER A CB 2 ATOM 1567 O OG . SER A 1 5 ? -7.093 19.265 7.952 1.00 0.00 ? 5 SER A OG 2 ATOM 1568 H H . SER A 1 5 ? -6.144 18.925 11.747 1.00 0.00 ? 5 SER A H 2 ATOM 1569 H HA . SER A 1 5 ? -4.927 18.292 9.303 1.00 0.00 ? 5 SER A HA 2 ATOM 1570 H HB2 . SER A 1 5 ? -7.315 18.045 9.572 1.00 0.00 ? 5 SER A HB2 2 ATOM 1571 H HB3 . SER A 1 5 ? -7.502 19.770 9.886 1.00 0.00 ? 5 SER A HB3 2 ATOM 1572 H HG . SER A 1 5 ? -6.654 18.569 7.458 1.00 0.00 ? 5 SER A HG 2 ATOM 1573 N N . SER A 1 6 ? -3.587 20.380 8.884 1.00 0.00 ? 6 SER A N 2 ATOM 1574 C CA . SER A 1 6 ? -2.890 21.565 8.396 1.00 0.00 ? 6 SER A CA 2 ATOM 1575 C C . SER A 1 6 ? -1.832 21.186 7.364 1.00 0.00 ? 6 SER A C 2 ATOM 1576 O O . SER A 1 6 ? -1.384 20.041 7.309 1.00 0.00 ? 6 SER A O 2 ATOM 1577 C CB . SER A 1 6 ? -2.239 22.315 9.559 1.00 0.00 ? 6 SER A CB 2 ATOM 1578 O OG . SER A 1 6 ? -1.319 21.487 10.249 1.00 0.00 ? 6 SER A OG 2 ATOM 1579 H H . SER A 1 6 ? -3.102 19.530 8.943 1.00 0.00 ? 6 SER A H 2 ATOM 1580 H HA . SER A 1 6 ? -3.619 22.208 7.927 1.00 0.00 ? 6 SER A HA 2 ATOM 1581 H HB2 . SER A 1 6 ? -1.713 23.177 9.178 1.00 0.00 ? 6 SER A HB2 2 ATOM 1582 H HB3 . SER A 1 6 ? -3.004 22.637 10.250 1.00 0.00 ? 6 SER A HB3 2 ATOM 1583 H HG . SER A 1 6 ? -0.548 22.002 10.499 1.00 0.00 ? 6 SER A HG 2 ATOM 1584 N N . GLY A 1 7 ? -1.437 22.157 6.546 1.00 0.00 ? 7 GLY A N 2 ATOM 1585 C CA . GLY A 1 7 ? -0.435 21.907 5.527 1.00 0.00 ? 7 GLY A CA 2 ATOM 1586 C C . GLY A 1 7 ? -1.034 21.808 4.138 1.00 0.00 ? 7 GLY A C 2 ATOM 1587 O O . GLY A 1 7 ? -1.575 22.783 3.617 1.00 0.00 ? 7 GLY A O 2 ATOM 1588 H H . GLY A 1 7 ? -1.830 23.051 6.636 1.00 0.00 ? 7 GLY A H 2 ATOM 1589 H HA2 . GLY A 1 7 ? 0.285 22.711 5.541 1.00 0.00 ? 7 GLY A HA2 2 ATOM 1590 H HA3 . GLY A 1 7 ? 0.070 20.980 5.755 1.00 0.00 ? 7 GLY A HA3 2 ATOM 1591 N N . MET A 1 8 ? -0.935 20.628 3.535 1.00 0.00 ? 8 MET A N 2 ATOM 1592 C CA . MET A 1 8 ? -1.471 20.406 2.197 1.00 0.00 ? 8 MET A CA 2 ATOM 1593 C C . MET A 1 8 ? -2.833 19.722 2.264 1.00 0.00 ? 8 MET A C 2 ATOM 1594 O O . MET A 1 8 ? -2.918 18.498 2.355 1.00 0.00 ? 8 MET A O 2 ATOM 1595 C CB . MET A 1 8 ? -0.502 19.559 1.370 1.00 0.00 ? 8 MET A CB 2 ATOM 1596 C CG . MET A 1 8 ? 0.693 20.340 0.847 1.00 0.00 ? 8 MET A CG 2 ATOM 1597 S SD . MET A 1 8 ? 0.311 21.279 -0.644 1.00 0.00 ? 8 MET A SD 2 ATOM 1598 C CE . MET A 1 8 ? 0.862 20.140 -1.912 1.00 0.00 ? 8 MET A CE 2 ATOM 1599 H H . MET A 1 8 ? -0.492 19.888 4.001 1.00 0.00 ? 8 MET A H 2 ATOM 1600 H HA . MET A 1 8 ? -1.588 21.369 1.723 1.00 0.00 ? 8 MET A HA 2 ATOM 1601 H HB2 . MET A 1 8 ? -0.136 18.750 1.984 1.00 0.00 ? 8 MET A HB2 2 ATOM 1602 H HB3 . MET A 1 8 ? -1.033 19.148 0.525 1.00 0.00 ? 8 MET A HB3 2 ATOM 1603 H HG2 . MET A 1 8 ? 1.021 21.026 1.613 1.00 0.00 ? 8 MET A HG2 2 ATOM 1604 H HG3 . MET A 1 8 ? 1.489 19.645 0.625 1.00 0.00 ? 8 MET A HG3 2 ATOM 1605 H HE1 . MET A 1 8 ? 0.702 19.126 -1.579 1.00 0.00 ? 8 MET A HE1 2 ATOM 1606 H HE2 . MET A 1 8 ? 0.303 20.314 -2.819 1.00 0.00 ? 8 MET A HE2 2 ATOM 1607 H HE3 . MET A 1 8 ? 1.914 20.296 -2.101 1.00 0.00 ? 8 MET A HE3 2 ATOM 1608 N N . GLU A 1 9 ? -3.895 20.521 2.217 1.00 0.00 ? 9 GLU A N 2 ATOM 1609 C CA . GLU A 1 9 ? -5.252 19.991 2.273 1.00 0.00 ? 9 GLU A CA 2 ATOM 1610 C C . GLU A 1 9 ? -5.723 19.553 0.889 1.00 0.00 ? 9 GLU A C 2 ATOM 1611 O O . GLU A 1 9 ? -6.263 20.351 0.124 1.00 0.00 ? 9 GLU A O 2 ATOM 1612 C CB . GLU A 1 9 ? -6.210 21.039 2.842 1.00 0.00 ? 9 GLU A CB 2 ATOM 1613 C CG . GLU A 1 9 ? -6.033 21.281 4.332 1.00 0.00 ? 9 GLU A CG 2 ATOM 1614 C CD . GLU A 1 9 ? -7.127 22.153 4.916 1.00 0.00 ? 9 GLU A CD 2 ATOM 1615 O OE1 . GLU A 1 9 ? -8.302 21.733 4.883 1.00 0.00 ? 9 GLU A OE1 2 ATOM 1616 O OE2 . GLU A 1 9 ? -6.807 23.257 5.405 1.00 0.00 ? 9 GLU A OE2 2 ATOM 1617 H H . GLU A 1 9 ? -3.762 21.489 2.144 1.00 0.00 ? 9 GLU A H 2 ATOM 1618 H HA . GLU A 1 9 ? -5.245 19.131 2.926 1.00 0.00 ? 9 GLU A HA 2 ATOM 1619 H HB2 . GLU A 1 9 ? -6.050 21.974 2.325 1.00 0.00 ? 9 GLU A HB2 2 ATOM 1620 H HB3 . GLU A 1 9 ? -7.225 20.713 2.670 1.00 0.00 ? 9 GLU A HB3 2 ATOM 1621 H HG2 . GLU A 1 9 ? -6.043 20.329 4.842 1.00 0.00 ? 9 GLU A HG2 2 ATOM 1622 H HG3 . GLU A 1 9 ? -5.081 21.765 4.495 1.00 0.00 ? 9 GLU A HG3 2 ATOM 1623 N N . GLY A 1 10 ? -5.514 18.278 0.575 1.00 0.00 ? 10 GLY A N 2 ATOM 1624 C CA . GLY A 1 10 ? -5.922 17.756 -0.716 1.00 0.00 ? 10 GLY A CA 2 ATOM 1625 C C . GLY A 1 10 ? -5.165 16.500 -1.099 1.00 0.00 ? 10 GLY A C 2 ATOM 1626 O O . GLY A 1 10 ? -5.734 15.412 -1.195 1.00 0.00 ? 10 GLY A O 2 ATOM 1627 H H . GLY A 1 10 ? -5.079 17.687 1.225 1.00 0.00 ? 10 GLY A H 2 ATOM 1628 H HA2 . GLY A 1 10 ? -6.978 17.533 -0.685 1.00 0.00 ? 10 GLY A HA2 2 ATOM 1629 H HA3 . GLY A 1 10 ? -5.746 18.511 -1.469 1.00 0.00 ? 10 GLY A HA3 2 ATOM 1630 N N . PRO A 1 11 ? -3.851 16.642 -1.327 1.00 0.00 ? 11 PRO A N 2 ATOM 1631 C CA . PRO A 1 11 ? -2.987 15.520 -1.706 1.00 0.00 ? 11 PRO A CA 2 ATOM 1632 C C . PRO A 1 11 ? -2.782 14.534 -0.562 1.00 0.00 ? 11 PRO A C 2 ATOM 1633 O O . PRO A 1 11 ? -2.286 13.425 -0.765 1.00 0.00 ? 11 PRO A O 2 ATOM 1634 C CB . PRO A 1 11 ? -1.665 16.198 -2.072 1.00 0.00 ? 11 PRO A CB 2 ATOM 1635 C CG . PRO A 1 11 ? -1.669 17.475 -1.304 1.00 0.00 ? 11 PRO A CG 2 ATOM 1636 C CD . PRO A 1 11 ? -3.107 17.909 -1.231 1.00 0.00 ? 11 PRO A CD 2 ATOM 1637 H HA . PRO A 1 11 ? -3.374 14.995 -2.567 1.00 0.00 ? 11 PRO A HA 2 ATOM 1638 H HB2 . PRO A 1 11 ? -0.839 15.564 -1.780 1.00 0.00 ? 11 PRO A HB2 2 ATOM 1639 H HB3 . PRO A 1 11 ? -1.630 16.377 -3.136 1.00 0.00 ? 11 PRO A HB3 2 ATOM 1640 H HG2 . PRO A 1 11 ? -1.276 17.309 -0.313 1.00 0.00 ? 11 PRO A HG2 2 ATOM 1641 H HG3 . PRO A 1 11 ? -1.080 18.217 -1.824 1.00 0.00 ? 11 PRO A HG3 2 ATOM 1642 H HD2 . PRO A 1 11 ? -3.305 18.402 -0.291 1.00 0.00 ? 11 PRO A HD2 2 ATOM 1643 H HD3 . PRO A 1 11 ? -3.347 18.560 -2.059 1.00 0.00 ? 11 PRO A HD3 2 ATOM 1644 N N . LEU A 1 12 ? -3.166 14.943 0.642 1.00 0.00 ? 12 LEU A N 2 ATOM 1645 C CA . LEU A 1 12 ? -3.025 14.095 1.820 1.00 0.00 ? 12 LEU A CA 2 ATOM 1646 C C . LEU A 1 12 ? -4.183 13.108 1.923 1.00 0.00 ? 12 LEU A C 2 ATOM 1647 O O . LEU A 1 12 ? -3.991 11.945 2.276 1.00 0.00 ? 12 LEU A O 2 ATOM 1648 C CB . LEU A 1 12 ? -2.957 14.952 3.085 1.00 0.00 ? 12 LEU A CB 2 ATOM 1649 C CG . LEU A 1 12 ? -1.600 15.585 3.395 1.00 0.00 ? 12 LEU A CG 2 ATOM 1650 C CD1 . LEU A 1 12 ? -1.741 16.650 4.472 1.00 0.00 ? 12 LEU A CD1 2 ATOM 1651 C CD2 . LEU A 1 12 ? -0.600 14.520 3.824 1.00 0.00 ? 12 LEU A CD2 2 ATOM 1652 H H . LEU A 1 12 ? -3.555 15.837 0.742 1.00 0.00 ? 12 LEU A H 2 ATOM 1653 H HA . LEU A 1 12 ? -2.103 13.541 1.721 1.00 0.00 ? 12 LEU A HA 2 ATOM 1654 H HB2 . LEU A 1 12 ? -3.678 15.749 2.984 1.00 0.00 ? 12 LEU A HB2 2 ATOM 1655 H HB3 . LEU A 1 12 ? -3.231 14.326 3.923 1.00 0.00 ? 12 LEU A HB3 2 ATOM 1656 H HG . LEU A 1 12 ? -1.220 16.062 2.502 1.00 0.00 ? 12 LEU A HG 2 ATOM 1657 H HD11 . LEU A 1 12 ? -1.994 16.181 5.411 1.00 0.00 ? 12 LEU A HD11 2 ATOM 1658 H HD12 . LEU A 1 12 ? -2.522 17.342 4.193 1.00 0.00 ? 12 LEU A HD12 2 ATOM 1659 H HD13 . LEU A 1 12 ? -0.807 17.183 4.575 1.00 0.00 ? 12 LEU A HD13 2 ATOM 1660 H HD21 . LEU A 1 12 ? -1.103 13.568 3.908 1.00 0.00 ? 12 LEU A HD21 2 ATOM 1661 H HD22 . LEU A 1 12 ? -0.176 14.789 4.780 1.00 0.00 ? 12 LEU A HD22 2 ATOM 1662 H HD23 . LEU A 1 12 ? 0.186 14.449 3.087 1.00 0.00 ? 12 LEU A HD23 2 ATOM 1663 N N . ASN A 1 13 ? -5.386 13.580 1.610 1.00 0.00 ? 13 ASN A N 2 ATOM 1664 C CA . ASN A 1 13 ? -6.575 12.738 1.665 1.00 0.00 ? 13 ASN A CA 2 ATOM 1665 C C . ASN A 1 13 ? -6.612 11.770 0.486 1.00 0.00 ? 13 ASN A C 2 ATOM 1666 O O . ASN A 1 13 ? -6.798 10.565 0.664 1.00 0.00 ? 13 ASN A O 2 ATOM 1667 C CB . ASN A 1 13 ? -7.837 13.602 1.669 1.00 0.00 ? 13 ASN A CB 2 ATOM 1668 C CG . ASN A 1 13 ? -9.016 12.903 2.318 1.00 0.00 ? 13 ASN A CG 2 ATOM 1669 O OD1 . ASN A 1 13 ? -9.452 13.278 3.406 1.00 0.00 ? 13 ASN A OD1 2 ATOM 1670 N ND2 . ASN A 1 13 ? -9.536 11.879 1.651 1.00 0.00 ? 13 ASN A ND2 2 ATOM 1671 H H . ASN A 1 13 ? -5.475 14.516 1.335 1.00 0.00 ? 13 ASN A H 2 ATOM 1672 H HA . ASN A 1 13 ? -6.536 12.169 2.582 1.00 0.00 ? 13 ASN A HA 2 ATOM 1673 H HB2 . ASN A 1 13 ? -7.640 14.514 2.214 1.00 0.00 ? 13 ASN A HB2 2 ATOM 1674 H HB3 . ASN A 1 13 ? -8.103 13.846 0.651 1.00 0.00 ? 13 ASN A HB3 2 ATOM 1675 H HD21 . ASN A 1 13 ? -9.137 11.636 0.790 1.00 0.00 ? 13 ASN A HD21 2 ATOM 1676 H HD22 . ASN A 1 13 ? -10.299 11.409 2.048 1.00 0.00 ? 13 ASN A HD22 2 ATOM 1677 N N . LEU A 1 14 ? -6.432 12.304 -0.717 1.00 0.00 ? 14 LEU A N 2 ATOM 1678 C CA . LEU A 1 14 ? -6.444 11.488 -1.926 1.00 0.00 ? 14 LEU A CA 2 ATOM 1679 C C . LEU A 1 14 ? -5.647 10.203 -1.724 1.00 0.00 ? 14 LEU A C 2 ATOM 1680 O O . LEU A 1 14 ? -6.147 9.106 -1.965 1.00 0.00 ? 14 LEU A O 2 ATOM 1681 C CB . LEU A 1 14 ? -5.870 12.278 -3.103 1.00 0.00 ? 14 LEU A CB 2 ATOM 1682 C CG . LEU A 1 14 ? -6.854 13.180 -3.850 1.00 0.00 ? 14 LEU A CG 2 ATOM 1683 C CD1 . LEU A 1 14 ? -6.107 14.207 -4.686 1.00 0.00 ? 14 LEU A CD1 2 ATOM 1684 C CD2 . LEU A 1 14 ? -7.781 12.349 -4.725 1.00 0.00 ? 14 LEU A CD2 2 ATOM 1685 H H . LEU A 1 14 ? -6.289 13.270 -0.795 1.00 0.00 ? 14 LEU A H 2 ATOM 1686 H HA . LEU A 1 14 ? -7.470 11.230 -2.142 1.00 0.00 ? 14 LEU A HA 2 ATOM 1687 H HB2 . LEU A 1 14 ? -5.072 12.899 -2.727 1.00 0.00 ? 14 LEU A HB2 2 ATOM 1688 H HB3 . LEU A 1 14 ? -5.468 11.568 -3.812 1.00 0.00 ? 14 LEU A HB3 2 ATOM 1689 H HG . LEU A 1 14 ? -7.460 13.713 -3.130 1.00 0.00 ? 14 LEU A HG 2 ATOM 1690 H HD11 . LEU A 1 14 ? -6.763 15.035 -4.909 1.00 0.00 ? 14 LEU A HD11 2 ATOM 1691 H HD12 . LEU A 1 14 ? -5.778 13.750 -5.608 1.00 0.00 ? 14 LEU A HD12 2 ATOM 1692 H HD13 . LEU A 1 14 ? -5.249 14.564 -4.136 1.00 0.00 ? 14 LEU A HD13 2 ATOM 1693 H HD21 . LEU A 1 14 ? -8.683 12.908 -4.926 1.00 0.00 ? 14 LEU A HD21 2 ATOM 1694 H HD22 . LEU A 1 14 ? -8.034 11.432 -4.212 1.00 0.00 ? 14 LEU A HD22 2 ATOM 1695 H HD23 . LEU A 1 14 ? -7.285 12.117 -5.656 1.00 0.00 ? 14 LEU A HD23 2 ATOM 1696 N N . ALA A 1 15 ? -4.404 10.349 -1.277 1.00 0.00 ? 15 ALA A N 2 ATOM 1697 C CA . ALA A 1 15 ? -3.538 9.201 -1.037 1.00 0.00 ? 15 ALA A CA 2 ATOM 1698 C C . ALA A 1 15 ? -4.202 8.200 -0.098 1.00 0.00 ? 15 ALA A C 2 ATOM 1699 O O . ALA A 1 15 ? -4.200 6.995 -0.355 1.00 0.00 ? 15 ALA A O 2 ATOM 1700 C CB . ALA A 1 15 ? -2.202 9.656 -0.469 1.00 0.00 ? 15 ALA A CB 2 ATOM 1701 H H . ALA A 1 15 ? -4.061 11.250 -1.102 1.00 0.00 ? 15 ALA A H 2 ATOM 1702 H HA . ALA A 1 15 ? -3.352 8.719 -1.987 1.00 0.00 ? 15 ALA A HA 2 ATOM 1703 H HB1 . ALA A 1 15 ? -2.356 10.083 0.511 1.00 0.00 ? 15 ALA A HB1 2 ATOM 1704 H HB2 . ALA A 1 15 ? -1.537 8.809 -0.392 1.00 0.00 ? 15 ALA A HB2 2 ATOM 1705 H HB3 . ALA A 1 15 ? -1.768 10.398 -1.121 1.00 0.00 ? 15 ALA A HB3 2 ATOM 1706 N N . HIS A 1 16 ? -4.769 8.705 0.993 1.00 0.00 ? 16 HIS A N 2 ATOM 1707 C CA . HIS A 1 16 ? -5.437 7.854 1.972 1.00 0.00 ? 16 HIS A CA 2 ATOM 1708 C C . HIS A 1 16 ? -6.437 6.925 1.291 1.00 0.00 ? 16 HIS A C 2 ATOM 1709 O O . HIS A 1 16 ? -6.463 5.723 1.557 1.00 0.00 ? 16 HIS A O 2 ATOM 1710 C CB . HIS A 1 16 ? -6.149 8.709 3.020 1.00 0.00 ? 16 HIS A CB 2 ATOM 1711 C CG . HIS A 1 16 ? -5.255 9.709 3.685 1.00 0.00 ? 16 HIS A CG 2 ATOM 1712 N ND1 . HIS A 1 16 ? -5.730 10.835 4.325 1.00 0.00 ? 16 HIS A ND1 2 ATOM 1713 C CD2 . HIS A 1 16 ? -3.908 9.748 3.809 1.00 0.00 ? 16 HIS A CD2 2 ATOM 1714 C CE1 . HIS A 1 16 ? -4.713 11.523 4.812 1.00 0.00 ? 16 HIS A CE1 2 ATOM 1715 N NE2 . HIS A 1 16 ? -3.596 10.885 4.513 1.00 0.00 ? 16 HIS A NE2 2 ATOM 1716 H H . HIS A 1 16 ? -4.738 9.672 1.143 1.00 0.00 ? 16 HIS A H 2 ATOM 1717 H HA . HIS A 1 16 ? -4.683 7.255 2.460 1.00 0.00 ? 16 HIS A HA 2 ATOM 1718 H HB2 . HIS A 1 16 ? -6.956 9.248 2.547 1.00 0.00 ? 16 HIS A HB2 2 ATOM 1719 H HB3 . HIS A 1 16 ? -6.554 8.063 3.787 1.00 0.00 ? 16 HIS A HB3 2 ATOM 1720 H HD1 . HIS A 1 16 ? -6.671 11.091 4.408 1.00 0.00 ? 16 HIS A HD1 2 ATOM 1721 H HD2 . HIS A 1 16 ? -3.207 9.020 3.425 1.00 0.00 ? 16 HIS A HD2 2 ATOM 1722 H HE1 . HIS A 1 16 ? -4.782 12.450 5.362 1.00 0.00 ? 16 HIS A HE1 2 ATOM 1723 H HE2 . HIS A 1 16 ? -2.692 11.222 4.681 1.00 0.00 ? 16 HIS A HE2 2 ATOM 1724 N N . GLN A 1 17 ? -7.259 7.489 0.412 1.00 0.00 ? 17 GLN A N 2 ATOM 1725 C CA . GLN A 1 17 ? -8.262 6.711 -0.305 1.00 0.00 ? 17 GLN A CA 2 ATOM 1726 C C . GLN A 1 17 ? -7.679 5.388 -0.791 1.00 0.00 ? 17 GLN A C 2 ATOM 1727 O O . GLN A 1 17 ? -8.283 4.331 -0.614 1.00 0.00 ? 17 GLN A O 2 ATOM 1728 C CB . GLN A 1 17 ? -8.805 7.509 -1.491 1.00 0.00 ? 17 GLN A CB 2 ATOM 1729 C CG . GLN A 1 17 ? -9.591 8.745 -1.084 1.00 0.00 ? 17 GLN A CG 2 ATOM 1730 C CD . GLN A 1 17 ? -10.093 9.537 -2.276 1.00 0.00 ? 17 GLN A CD 2 ATOM 1731 O OE1 . GLN A 1 17 ? -9.411 9.644 -3.296 1.00 0.00 ? 17 GLN A OE1 2 ATOM 1732 N NE2 . GLN A 1 17 ? -11.291 10.096 -2.154 1.00 0.00 ? 17 GLN A NE2 2 ATOM 1733 H H . GLN A 1 17 ? -7.190 8.452 0.243 1.00 0.00 ? 17 GLN A H 2 ATOM 1734 H HA . GLN A 1 17 ? -9.071 6.503 0.378 1.00 0.00 ? 17 GLN A HA 2 ATOM 1735 H HB2 . GLN A 1 17 ? -7.977 7.822 -2.109 1.00 0.00 ? 17 GLN A HB2 2 ATOM 1736 H HB3 . GLN A 1 17 ? -9.456 6.871 -2.072 1.00 0.00 ? 17 GLN A HB3 2 ATOM 1737 H HG2 . GLN A 1 17 ? -10.441 8.438 -0.493 1.00 0.00 ? 17 GLN A HG2 2 ATOM 1738 H HG3 . GLN A 1 17 ? -8.952 9.382 -0.490 1.00 0.00 ? 17 GLN A HG3 2 ATOM 1739 H HE21 . GLN A 1 17 ? -11.777 9.968 -1.311 1.00 0.00 ? 17 GLN A HE21 2 ATOM 1740 H HE22 . GLN A 1 17 ? -11.639 10.613 -2.908 1.00 0.00 ? 17 GLN A HE22 2 ATOM 1741 N N . GLN A 1 18 ? -6.502 5.456 -1.405 1.00 0.00 ? 18 GLN A N 2 ATOM 1742 C CA . GLN A 1 18 ? -5.839 4.263 -1.918 1.00 0.00 ? 18 GLN A CA 2 ATOM 1743 C C . GLN A 1 18 ? -5.383 3.360 -0.776 1.00 0.00 ? 18 GLN A C 2 ATOM 1744 O O . GLN A 1 18 ? -5.631 2.155 -0.789 1.00 0.00 ? 18 GLN A O 2 ATOM 1745 C CB . GLN A 1 18 ? -4.640 4.653 -2.785 1.00 0.00 ? 18 GLN A CB 2 ATOM 1746 C CG . GLN A 1 18 ? -5.027 5.345 -4.082 1.00 0.00 ? 18 GLN A CG 2 ATOM 1747 C CD . GLN A 1 18 ? -6.065 4.569 -4.870 1.00 0.00 ? 18 GLN A CD 2 ATOM 1748 O OE1 . GLN A 1 18 ? -7.226 4.970 -4.951 1.00 0.00 ? 18 GLN A OE1 2 ATOM 1749 N NE2 . GLN A 1 18 ? -5.650 3.452 -5.456 1.00 0.00 ? 18 GLN A NE2 2 ATOM 1750 H H . GLN A 1 18 ? -6.071 6.328 -1.517 1.00 0.00 ? 18 GLN A H 2 ATOM 1751 H HA . GLN A 1 18 ? -6.550 3.724 -2.525 1.00 0.00 ? 18 GLN A HA 2 ATOM 1752 H HB2 . GLN A 1 18 ? -4.006 5.321 -2.221 1.00 0.00 ? 18 GLN A HB2 2 ATOM 1753 H HB3 . GLN A 1 18 ? -4.083 3.761 -3.030 1.00 0.00 ? 18 GLN A HB3 2 ATOM 1754 H HG2 . GLN A 1 18 ? -5.429 6.319 -3.850 1.00 0.00 ? 18 GLN A HG2 2 ATOM 1755 H HG3 . GLN A 1 18 ? -4.143 5.457 -4.692 1.00 0.00 ? 18 GLN A HG3 2 ATOM 1756 H HE21 . GLN A 1 18 ? -4.711 3.194 -5.347 1.00 0.00 ? 18 GLN A HE21 2 ATOM 1757 H HE22 . GLN A 1 18 ? -6.300 2.931 -5.971 1.00 0.00 ? 18 GLN A HE22 2 ATOM 1758 N N . SER A 1 19 ? -4.716 3.952 0.209 1.00 0.00 ? 19 SER A N 2 ATOM 1759 C CA . SER A 1 19 ? -4.222 3.200 1.357 1.00 0.00 ? 19 SER A CA 2 ATOM 1760 C C . SER A 1 19 ? -5.293 2.251 1.886 1.00 0.00 ? 19 SER A C 2 ATOM 1761 O O . SER A 1 19 ? -5.001 1.115 2.258 1.00 0.00 ? 19 SER A O 2 ATOM 1762 C CB . SER A 1 19 ? -3.777 4.156 2.466 1.00 0.00 ? 19 SER A CB 2 ATOM 1763 O OG . SER A 1 19 ? -3.479 3.450 3.658 1.00 0.00 ? 19 SER A OG 2 ATOM 1764 H H . SER A 1 19 ? -4.550 4.917 0.161 1.00 0.00 ? 19 SER A H 2 ATOM 1765 H HA . SER A 1 19 ? -3.372 2.619 1.031 1.00 0.00 ? 19 SER A HA 2 ATOM 1766 H HB2 . SER A 1 19 ? -2.894 4.688 2.146 1.00 0.00 ? 19 SER A HB2 2 ATOM 1767 H HB3 . SER A 1 19 ? -4.570 4.862 2.668 1.00 0.00 ? 19 SER A HB3 2 ATOM 1768 H HG . SER A 1 19 ? -2.530 3.318 3.723 1.00 0.00 ? 19 SER A HG 2 ATOM 1769 N N . ARG A 1 20 ? -6.533 2.728 1.917 1.00 0.00 ? 20 ARG A N 2 ATOM 1770 C CA . ARG A 1 20 ? -7.648 1.923 2.402 1.00 0.00 ? 20 ARG A CA 2 ATOM 1771 C C . ARG A 1 20 ? -7.787 0.640 1.589 1.00 0.00 ? 20 ARG A C 2 ATOM 1772 O O . ARG A 1 20 ? -8.018 -0.436 2.142 1.00 0.00 ? 20 ARG A O 2 ATOM 1773 C CB . ARG A 1 20 ? -8.950 2.725 2.337 1.00 0.00 ? 20 ARG A CB 2 ATOM 1774 C CG . ARG A 1 20 ? -9.177 3.618 3.545 1.00 0.00 ? 20 ARG A CG 2 ATOM 1775 C CD . ARG A 1 20 ? -10.639 4.014 3.678 1.00 0.00 ? 20 ARG A CD 2 ATOM 1776 N NE . ARG A 1 20 ? -11.503 2.855 3.887 1.00 0.00 ? 20 ARG A NE 2 ATOM 1777 C CZ . ARG A 1 20 ? -12.830 2.911 3.847 1.00 0.00 ? 20 ARG A CZ 2 ATOM 1778 N NH1 . ARG A 1 20 ? -13.441 4.063 3.607 1.00 0.00 ? 20 ARG A NH1 2 ATOM 1779 N NH2 . ARG A 1 20 ? -13.547 1.813 4.047 1.00 0.00 ? 20 ARG A NH2 2 ATOM 1780 H H . ARG A 1 20 ? -6.703 3.642 1.608 1.00 0.00 ? 20 ARG A H 2 ATOM 1781 H HA . ARG A 1 20 ? -7.448 1.663 3.431 1.00 0.00 ? 20 ARG A HA 2 ATOM 1782 H HB2 . ARG A 1 20 ? -8.931 3.348 1.455 1.00 0.00 ? 20 ARG A HB2 2 ATOM 1783 H HB3 . ARG A 1 20 ? -9.778 2.037 2.264 1.00 0.00 ? 20 ARG A HB3 2 ATOM 1784 H HG2 . ARG A 1 20 ? -8.877 3.086 4.436 1.00 0.00 ? 20 ARG A HG2 2 ATOM 1785 H HG3 . ARG A 1 20 ? -8.579 4.511 3.439 1.00 0.00 ? 20 ARG A HG3 2 ATOM 1786 H HD2 . ARG A 1 20 ? -10.742 4.684 4.519 1.00 0.00 ? 20 ARG A HD2 2 ATOM 1787 H HD3 . ARG A 1 20 ? -10.944 4.521 2.775 1.00 0.00 ? 20 ARG A HD3 2 ATOM 1788 H HE . ARG A 1 20 ? -11.072 1.994 4.066 1.00 0.00 ? 20 ARG A HE 2 ATOM 1789 H HH11 . ARG A 1 20 ? -12.903 4.892 3.455 1.00 0.00 ? 20 ARG A HH11 2 ATOM 1790 H HH12 . ARG A 1 20 ? -14.440 4.102 3.576 1.00 0.00 ? 20 ARG A HH12 2 ATOM 1791 H HH21 . ARG A 1 20 ? -13.090 0.943 4.228 1.00 0.00 ? 20 ARG A HH21 2 ATOM 1792 H HH22 . ARG A 1 20 ? -14.546 1.856 4.017 1.00 0.00 ? 20 ARG A HH22 2 ATOM 1793 N N . ARG A 1 21 ? -7.645 0.761 0.273 1.00 0.00 ? 21 ARG A N 2 ATOM 1794 C CA . ARG A 1 21 ? -7.756 -0.389 -0.616 1.00 0.00 ? 21 ARG A CA 2 ATOM 1795 C C . ARG A 1 21 ? -6.733 -1.460 -0.251 1.00 0.00 ? 21 ARG A C 2 ATOM 1796 O O . ARG A 1 21 ? -7.077 -2.629 -0.083 1.00 0.00 ? 21 ARG A O 2 ATOM 1797 C CB . ARG A 1 21 ? -7.561 0.044 -2.071 1.00 0.00 ? 21 ARG A CB 2 ATOM 1798 C CG . ARG A 1 21 ? -7.357 -1.118 -3.030 1.00 0.00 ? 21 ARG A CG 2 ATOM 1799 C CD . ARG A 1 21 ? -7.654 -0.713 -4.465 1.00 0.00 ? 21 ARG A CD 2 ATOM 1800 N NE . ARG A 1 21 ? -7.513 -1.835 -5.390 1.00 0.00 ? 21 ARG A NE 2 ATOM 1801 C CZ . ARG A 1 21 ? -7.256 -1.692 -6.685 1.00 0.00 ? 21 ARG A CZ 2 ATOM 1802 N NH1 . ARG A 1 21 ? -7.113 -0.481 -7.206 1.00 0.00 ? 21 ARG A NH1 2 ATOM 1803 N NH2 . ARG A 1 21 ? -7.142 -2.761 -7.463 1.00 0.00 ? 21 ARG A NH2 2 ATOM 1804 H H . ARG A 1 21 ? -7.462 1.645 -0.109 1.00 0.00 ? 21 ARG A H 2 ATOM 1805 H HA . ARG A 1 21 ? -8.748 -0.801 -0.503 1.00 0.00 ? 21 ARG A HA 2 ATOM 1806 H HB2 . ARG A 1 21 ? -8.432 0.597 -2.390 1.00 0.00 ? 21 ARG A HB2 2 ATOM 1807 H HB3 . ARG A 1 21 ? -6.695 0.687 -2.129 1.00 0.00 ? 21 ARG A HB3 2 ATOM 1808 H HG2 . ARG A 1 21 ? -6.332 -1.450 -2.966 1.00 0.00 ? 21 ARG A HG2 2 ATOM 1809 H HG3 . ARG A 1 21 ? -8.017 -1.924 -2.748 1.00 0.00 ? 21 ARG A HG3 2 ATOM 1810 H HD2 . ARG A 1 21 ? -8.666 -0.341 -4.518 1.00 0.00 ? 21 ARG A HD2 2 ATOM 1811 H HD3 . ARG A 1 21 ? -6.967 0.068 -4.754 1.00 0.00 ? 21 ARG A HD3 2 ATOM 1812 H HE . ARG A 1 21 ? -7.616 -2.739 -5.026 1.00 0.00 ? 21 ARG A HE 2 ATOM 1813 H HH11 . ARG A 1 21 ? -7.197 0.327 -6.623 1.00 0.00 ? 21 ARG A HH11 2 ATOM 1814 H HH12 . ARG A 1 21 ? -6.918 -0.376 -8.182 1.00 0.00 ? 21 ARG A HH12 2 ATOM 1815 H HH21 . ARG A 1 21 ? -7.250 -3.675 -7.074 1.00 0.00 ? 21 ARG A HH21 2 ATOM 1816 H HH22 . ARG A 1 21 ? -6.949 -2.652 -8.437 1.00 0.00 ? 21 ARG A HH22 2 ATOM 1817 N N . ALA A 1 22 ? -5.474 -1.051 -0.131 1.00 0.00 ? 22 ALA A N 2 ATOM 1818 C CA . ALA A 1 22 ? -4.401 -1.975 0.215 1.00 0.00 ? 22 ALA A CA 2 ATOM 1819 C C . ALA A 1 22 ? -4.814 -2.891 1.363 1.00 0.00 ? 22 ALA A C 2 ATOM 1820 O O . ALA A 1 22 ? -4.653 -4.109 1.286 1.00 0.00 ? 22 ALA A O 2 ATOM 1821 C CB . ALA A 1 22 ? -3.139 -1.206 0.579 1.00 0.00 ? 22 ALA A CB 2 ATOM 1822 H H . ALA A 1 22 ? -5.262 -0.106 -0.277 1.00 0.00 ? 22 ALA A H 2 ATOM 1823 H HA . ALA A 1 22 ? -4.187 -2.579 -0.655 1.00 0.00 ? 22 ALA A HA 2 ATOM 1824 H HB1 . ALA A 1 22 ? -3.398 -0.371 1.214 1.00 0.00 ? 22 ALA A HB1 2 ATOM 1825 H HB2 . ALA A 1 22 ? -2.458 -1.860 1.103 1.00 0.00 ? 22 ALA A HB2 2 ATOM 1826 H HB3 . ALA A 1 22 ? -2.668 -0.842 -0.321 1.00 0.00 ? 22 ALA A HB3 2 ATOM 1827 N N . ASP A 1 23 ? -5.346 -2.297 2.425 1.00 0.00 ? 23 ASP A N 2 ATOM 1828 C CA . ASP A 1 23 ? -5.782 -3.060 3.589 1.00 0.00 ? 23 ASP A CA 2 ATOM 1829 C C . ASP A 1 23 ? -6.710 -4.198 3.176 1.00 0.00 ? 23 ASP A C 2 ATOM 1830 O O . ASP A 1 23 ? -6.374 -5.373 3.329 1.00 0.00 ? 23 ASP A O 2 ATOM 1831 C CB . ASP A 1 23 ? -6.491 -2.145 4.589 1.00 0.00 ? 23 ASP A CB 2 ATOM 1832 C CG . ASP A 1 23 ? -6.647 -2.788 5.953 1.00 0.00 ? 23 ASP A CG 2 ATOM 1833 O OD1 . ASP A 1 23 ? -5.619 -3.004 6.628 1.00 0.00 ? 23 ASP A OD1 2 ATOM 1834 O OD2 . ASP A 1 23 ? -7.797 -3.074 6.345 1.00 0.00 ? 23 ASP A OD2 2 ATOM 1835 H H . ASP A 1 23 ? -5.448 -1.322 2.427 1.00 0.00 ? 23 ASP A H 2 ATOM 1836 H HA . ASP A 1 23 ? -4.905 -3.479 4.058 1.00 0.00 ? 23 ASP A HA 2 ATOM 1837 H HB2 . ASP A 1 23 ? -5.919 -1.236 4.703 1.00 0.00 ? 23 ASP A HB2 2 ATOM 1838 H HB3 . ASP A 1 23 ? -7.473 -1.902 4.210 1.00 0.00 ? 23 ASP A HB3 2 ATOM 1839 N N . ARG A 1 24 ? -7.878 -3.842 2.652 1.00 0.00 ? 24 ARG A N 2 ATOM 1840 C CA . ARG A 1 24 ? -8.855 -4.834 2.219 1.00 0.00 ? 24 ARG A CA 2 ATOM 1841 C C . ARG A 1 24 ? -8.178 -5.967 1.455 1.00 0.00 ? 24 ARG A C 2 ATOM 1842 O O . ARG A 1 24 ? -8.520 -7.138 1.627 1.00 0.00 ? 24 ARG A O 2 ATOM 1843 C CB . ARG A 1 24 ? -9.923 -4.179 1.341 1.00 0.00 ? 24 ARG A CB 2 ATOM 1844 C CG . ARG A 1 24 ? -10.741 -3.121 2.063 1.00 0.00 ? 24 ARG A CG 2 ATOM 1845 C CD . ARG A 1 24 ? -11.592 -3.731 3.166 1.00 0.00 ? 24 ARG A CD 2 ATOM 1846 N NE . ARG A 1 24 ? -12.444 -2.737 3.812 1.00 0.00 ? 24 ARG A NE 2 ATOM 1847 C CZ . ARG A 1 24 ? -13.562 -3.039 4.463 1.00 0.00 ? 24 ARG A CZ 2 ATOM 1848 N NH1 . ARG A 1 24 ? -13.960 -4.301 4.554 1.00 0.00 ? 24 ARG A NH1 2 ATOM 1849 N NH2 . ARG A 1 24 ? -14.284 -2.078 5.026 1.00 0.00 ? 24 ARG A NH2 2 ATOM 1850 H H . ARG A 1 24 ? -8.089 -2.890 2.555 1.00 0.00 ? 24 ARG A H 2 ATOM 1851 H HA . ARG A 1 24 ? -9.327 -5.241 3.101 1.00 0.00 ? 24 ARG A HA 2 ATOM 1852 H HB2 . ARG A 1 24 ? -9.440 -3.714 0.494 1.00 0.00 ? 24 ARG A HB2 2 ATOM 1853 H HB3 . ARG A 1 24 ? -10.597 -4.943 0.985 1.00 0.00 ? 24 ARG A HB3 2 ATOM 1854 H HG2 . ARG A 1 24 ? -10.070 -2.397 2.500 1.00 0.00 ? 24 ARG A HG2 2 ATOM 1855 H HG3 . ARG A 1 24 ? -11.387 -2.631 1.350 1.00 0.00 ? 24 ARG A HG3 2 ATOM 1856 H HD2 . ARG A 1 24 ? -12.215 -4.501 2.737 1.00 0.00 ? 24 ARG A HD2 2 ATOM 1857 H HD3 . ARG A 1 24 ? -10.938 -4.167 3.906 1.00 0.00 ? 24 ARG A HD3 2 ATOM 1858 H HE . ARG A 1 24 ? -12.169 -1.798 3.758 1.00 0.00 ? 24 ARG A HE 2 ATOM 1859 H HH11 . ARG A 1 24 ? -13.417 -5.027 4.132 1.00 0.00 ? 24 ARG A HH11 2 ATOM 1860 H HH12 . ARG A 1 24 ? -14.801 -4.526 5.045 1.00 0.00 ? 24 ARG A HH12 2 ATOM 1861 H HH21 . ARG A 1 24 ? -13.987 -1.126 4.960 1.00 0.00 ? 24 ARG A HH21 2 ATOM 1862 H HH22 . ARG A 1 24 ? -15.125 -2.307 5.515 1.00 0.00 ? 24 ARG A HH22 2 ATOM 1863 N N . LEU A 1 25 ? -7.216 -5.612 0.610 1.00 0.00 ? 25 LEU A N 2 ATOM 1864 C CA . LEU A 1 25 ? -6.490 -6.599 -0.181 1.00 0.00 ? 25 LEU A CA 2 ATOM 1865 C C . LEU A 1 25 ? -5.628 -7.486 0.712 1.00 0.00 ? 25 LEU A C 2 ATOM 1866 O O . LEU A 1 25 ? -5.607 -8.708 0.557 1.00 0.00 ? 25 LEU A O 2 ATOM 1867 C CB . LEU A 1 25 ? -5.614 -5.902 -1.224 1.00 0.00 ? 25 LEU A CB 2 ATOM 1868 C CG . LEU A 1 25 ? -6.355 -5.221 -2.376 1.00 0.00 ? 25 LEU A CG 2 ATOM 1869 C CD1 . LEU A 1 25 ? -5.459 -4.198 -3.056 1.00 0.00 ? 25 LEU A CD1 2 ATOM 1870 C CD2 . LEU A 1 25 ? -6.845 -6.255 -3.379 1.00 0.00 ? 25 LEU A CD2 2 ATOM 1871 H H . LEU A 1 25 ? -6.988 -4.664 0.516 1.00 0.00 ? 25 LEU A H 2 ATOM 1872 H HA . LEU A 1 25 ? -7.216 -7.217 -0.688 1.00 0.00 ? 25 LEU A HA 2 ATOM 1873 H HB2 . LEU A 1 25 ? -5.031 -5.149 -0.716 1.00 0.00 ? 25 LEU A HB2 2 ATOM 1874 H HB3 . LEU A 1 25 ? -4.952 -6.643 -1.647 1.00 0.00 ? 25 LEU A HB3 2 ATOM 1875 H HG . LEU A 1 25 ? -7.218 -4.700 -1.983 1.00 0.00 ? 25 LEU A HG 2 ATOM 1876 H HD11 . LEU A 1 25 ? -5.334 -3.343 -2.409 1.00 0.00 ? 25 LEU A HD11 2 ATOM 1877 H HD12 . LEU A 1 25 ? -5.913 -3.883 -3.984 1.00 0.00 ? 25 LEU A HD12 2 ATOM 1878 H HD13 . LEU A 1 25 ? -4.496 -4.641 -3.259 1.00 0.00 ? 25 LEU A HD13 2 ATOM 1879 H HD21 . LEU A 1 25 ? -6.612 -7.245 -3.018 1.00 0.00 ? 25 LEU A HD21 2 ATOM 1880 H HD22 . LEU A 1 25 ? -6.356 -6.094 -4.329 1.00 0.00 ? 25 LEU A HD22 2 ATOM 1881 H HD23 . LEU A 1 25 ? -7.913 -6.158 -3.503 1.00 0.00 ? 25 LEU A HD23 2 ATOM 1882 N N . LEU A 1 26 ? -4.919 -6.864 1.647 1.00 0.00 ? 26 LEU A N 2 ATOM 1883 C CA . LEU A 1 26 ? -4.057 -7.597 2.568 1.00 0.00 ? 26 LEU A CA 2 ATOM 1884 C C . LEU A 1 26 ? -4.807 -8.760 3.207 1.00 0.00 ? 26 LEU A C 2 ATOM 1885 O O . LEU A 1 26 ? -4.305 -9.883 3.259 1.00 0.00 ? 26 LEU A O 2 ATOM 1886 C CB . LEU A 1 26 ? -3.524 -6.660 3.654 1.00 0.00 ? 26 LEU A CB 2 ATOM 1887 C CG . LEU A 1 26 ? -2.978 -7.335 4.913 1.00 0.00 ? 26 LEU A CG 2 ATOM 1888 C CD1 . LEU A 1 26 ? -1.792 -8.223 4.571 1.00 0.00 ? 26 LEU A CD1 2 ATOM 1889 C CD2 . LEU A 1 26 ? -2.585 -6.291 5.949 1.00 0.00 ? 26 LEU A CD2 2 ATOM 1890 H H . LEU A 1 26 ? -4.977 -5.889 1.722 1.00 0.00 ? 26 LEU A H 2 ATOM 1891 H HA . LEU A 1 26 ? -3.225 -7.988 2.001 1.00 0.00 ? 26 LEU A HA 2 ATOM 1892 H HB2 . LEU A 1 26 ? -2.728 -6.073 3.222 1.00 0.00 ? 26 LEU A HB2 2 ATOM 1893 H HB3 . LEU A 1 26 ? -4.332 -6.006 3.951 1.00 0.00 ? 26 LEU A HB3 2 ATOM 1894 H HG . LEU A 1 26 ? -3.749 -7.959 5.342 1.00 0.00 ? 26 LEU A HG 2 ATOM 1895 H HD11 . LEU A 1 26 ? -1.127 -8.277 5.420 1.00 0.00 ? 26 LEU A HD11 2 ATOM 1896 H HD12 . LEU A 1 26 ? -1.263 -7.808 3.725 1.00 0.00 ? 26 LEU A HD12 2 ATOM 1897 H HD13 . LEU A 1 26 ? -2.144 -9.214 4.324 1.00 0.00 ? 26 LEU A HD13 2 ATOM 1898 H HD21 . LEU A 1 26 ? -3.427 -5.643 6.143 1.00 0.00 ? 26 LEU A HD21 2 ATOM 1899 H HD22 . LEU A 1 26 ? -1.759 -5.705 5.573 1.00 0.00 ? 26 LEU A HD22 2 ATOM 1900 H HD23 . LEU A 1 26 ? -2.291 -6.785 6.863 1.00 0.00 ? 26 LEU A HD23 2 ATOM 1901 N N . ALA A 1 27 ? -6.014 -8.485 3.691 1.00 0.00 ? 27 ALA A N 2 ATOM 1902 C CA . ALA A 1 27 ? -6.836 -9.510 4.324 1.00 0.00 ? 27 ALA A CA 2 ATOM 1903 C C . ALA A 1 27 ? -7.092 -10.673 3.371 1.00 0.00 ? 27 ALA A C 2 ATOM 1904 O O . ALA A 1 27 ? -7.129 -11.831 3.786 1.00 0.00 ? 27 ALA A O 2 ATOM 1905 C CB . ALA A 1 27 ? -8.153 -8.912 4.797 1.00 0.00 ? 27 ALA A CB 2 ATOM 1906 H H . ALA A 1 27 ? -6.360 -7.571 3.620 1.00 0.00 ? 27 ALA A H 2 ATOM 1907 H HA . ALA A 1 27 ? -6.304 -9.877 5.189 1.00 0.00 ? 27 ALA A HA 2 ATOM 1908 H HB1 . ALA A 1 27 ? -8.606 -8.357 3.988 1.00 0.00 ? 27 ALA A HB1 2 ATOM 1909 H HB2 . ALA A 1 27 ? -8.817 -9.706 5.106 1.00 0.00 ? 27 ALA A HB2 2 ATOM 1910 H HB3 . ALA A 1 27 ? -7.969 -8.251 5.630 1.00 0.00 ? 27 ALA A HB3 2 ATOM 1911 N N . ALA A 1 28 ? -7.269 -10.356 2.093 1.00 0.00 ? 28 ALA A N 2 ATOM 1912 C CA . ALA A 1 28 ? -7.521 -11.376 1.081 1.00 0.00 ? 28 ALA A CA 2 ATOM 1913 C C . ALA A 1 28 ? -6.214 -11.938 0.532 1.00 0.00 ? 28 ALA A C 2 ATOM 1914 O O . ALA A 1 28 ? -6.183 -12.513 -0.555 1.00 0.00 ? 28 ALA A O 2 ATOM 1915 C CB . ALA A 1 28 ? -8.367 -10.803 -0.046 1.00 0.00 ? 28 ALA A CB 2 ATOM 1916 H H . ALA A 1 28 ? -7.229 -9.415 1.823 1.00 0.00 ? 28 ALA A H 2 ATOM 1917 H HA . ALA A 1 28 ? -8.079 -12.176 1.546 1.00 0.00 ? 28 ALA A HA 2 ATOM 1918 H HB1 . ALA A 1 28 ? -9.167 -10.209 0.371 1.00 0.00 ? 28 ALA A HB1 2 ATOM 1919 H HB2 . ALA A 1 28 ? -7.750 -10.183 -0.680 1.00 0.00 ? 28 ALA A HB2 2 ATOM 1920 H HB3 . ALA A 1 28 ? -8.785 -11.611 -0.628 1.00 0.00 ? 28 ALA A HB3 2 ATOM 1921 N N . GLY A 1 29 ? -5.136 -11.767 1.291 1.00 0.00 ? 29 GLY A N 2 ATOM 1922 C CA . GLY A 1 29 ? -3.841 -12.263 0.862 1.00 0.00 ? 29 GLY A CA 2 ATOM 1923 C C . GLY A 1 29 ? -3.447 -11.745 -0.507 1.00 0.00 ? 29 GLY A C 2 ATOM 1924 O O . GLY A 1 29 ? -2.693 -12.396 -1.231 1.00 0.00 ? 29 GLY A O 2 ATOM 1925 H H . GLY A 1 29 ? -5.221 -11.301 2.149 1.00 0.00 ? 29 GLY A H 2 ATOM 1926 H HA2 . GLY A 1 29 ? -3.095 -11.957 1.581 1.00 0.00 ? 29 GLY A HA2 2 ATOM 1927 H HA3 . GLY A 1 29 ? -3.874 -13.342 0.831 1.00 0.00 ? 29 GLY A HA3 2 ATOM 1928 N N . LYS A 1 30 ? -3.958 -10.572 -0.864 1.00 0.00 ? 30 LYS A N 2 ATOM 1929 C CA . LYS A 1 30 ? -3.655 -9.967 -2.155 1.00 0.00 ? 30 LYS A CA 2 ATOM 1930 C C . LYS A 1 30 ? -2.508 -8.969 -2.033 1.00 0.00 ? 30 LYS A C 2 ATOM 1931 O O . LYS A 1 30 ? -2.540 -7.895 -2.634 1.00 0.00 ? 30 LYS A O 2 ATOM 1932 C CB . LYS A 1 30 ? -4.896 -9.267 -2.717 1.00 0.00 ? 30 LYS A CB 2 ATOM 1933 C CG . LYS A 1 30 ? -5.988 -10.227 -3.157 1.00 0.00 ? 30 LYS A CG 2 ATOM 1934 C CD . LYS A 1 30 ? -5.801 -10.659 -4.602 1.00 0.00 ? 30 LYS A CD 2 ATOM 1935 C CE . LYS A 1 30 ? -7.133 -10.965 -5.269 1.00 0.00 ? 30 LYS A CE 2 ATOM 1936 N NZ . LYS A 1 30 ? -7.521 -12.394 -5.104 1.00 0.00 ? 30 LYS A NZ 2 ATOM 1937 H H . LYS A 1 30 ? -4.553 -10.101 -0.243 1.00 0.00 ? 30 LYS A H 2 ATOM 1938 H HA . LYS A 1 30 ? -3.361 -10.755 -2.831 1.00 0.00 ? 30 LYS A HA 2 ATOM 1939 H HB2 . LYS A 1 30 ? -5.302 -8.616 -1.957 1.00 0.00 ? 30 LYS A HB2 2 ATOM 1940 H HB3 . LYS A 1 30 ? -4.603 -8.672 -3.570 1.00 0.00 ? 30 LYS A HB3 2 ATOM 1941 H HG2 . LYS A 1 30 ? -5.963 -11.101 -2.524 1.00 0.00 ? 30 LYS A HG2 2 ATOM 1942 H HG3 . LYS A 1 30 ? -6.946 -9.736 -3.059 1.00 0.00 ? 30 LYS A HG3 2 ATOM 1943 H HD2 . LYS A 1 30 ? -5.313 -9.865 -5.146 1.00 0.00 ? 30 LYS A HD2 2 ATOM 1944 H HD3 . LYS A 1 30 ? -5.184 -11.547 -4.625 1.00 0.00 ? 30 LYS A HD3 2 ATOM 1945 H HE2 . LYS A 1 30 ? -7.894 -10.341 -4.826 1.00 0.00 ? 30 LYS A HE2 2 ATOM 1946 H HE3 . LYS A 1 30 ? -7.052 -10.742 -6.322 1.00 0.00 ? 30 LYS A HE3 2 ATOM 1947 H HZ1 . LYS A 1 30 ? -7.603 -12.627 -4.093 1.00 0.00 ? 30 LYS A HZ1 2 ATOM 1948 H HZ2 . LYS A 1 30 ? -6.802 -13.011 -5.533 1.00 0.00 ? 30 LYS A HZ2 2 ATOM 1949 H HZ3 . LYS A 1 30 ? -8.436 -12.571 -5.565 1.00 0.00 ? 30 LYS A HZ3 2 ATOM 1950 N N . TYR A 1 31 ? -1.495 -9.332 -1.254 1.00 0.00 ? 31 TYR A N 2 ATOM 1951 C CA . TYR A 1 31 ? -0.338 -8.468 -1.053 1.00 0.00 ? 31 TYR A CA 2 ATOM 1952 C C . TYR A 1 31 ? 0.006 -7.712 -2.332 1.00 0.00 ? 31 TYR A C 2 ATOM 1953 O O . TYR A 1 31 ? -0.098 -6.487 -2.388 1.00 0.00 ? 31 TYR A O 2 ATOM 1954 C CB . TYR A 1 31 ? 0.866 -9.292 -0.595 1.00 0.00 ? 31 TYR A CB 2 ATOM 1955 C CG . TYR A 1 31 ? 0.578 -10.175 0.599 1.00 0.00 ? 31 TYR A CG 2 ATOM 1956 C CD1 . TYR A 1 31 ? 0.739 -9.698 1.894 1.00 0.00 ? 31 TYR A CD1 2 ATOM 1957 C CD2 . TYR A 1 31 ? 0.146 -11.484 0.432 1.00 0.00 ? 31 TYR A CD2 2 ATOM 1958 C CE1 . TYR A 1 31 ? 0.477 -10.500 2.988 1.00 0.00 ? 31 TYR A CE1 2 ATOM 1959 C CE2 . TYR A 1 31 ? -0.119 -12.293 1.519 1.00 0.00 ? 31 TYR A CE2 2 ATOM 1960 C CZ . TYR A 1 31 ? 0.048 -11.797 2.795 1.00 0.00 ? 31 TYR A CZ 2 ATOM 1961 O OH . TYR A 1 31 ? -0.213 -12.600 3.882 1.00 0.00 ? 31 TYR A OH 2 ATOM 1962 H H . TYR A 1 31 ? -1.527 -10.201 -0.801 1.00 0.00 ? 31 TYR A H 2 ATOM 1963 H HA . TYR A 1 31 ? -0.587 -7.754 -0.282 1.00 0.00 ? 31 TYR A HA 2 ATOM 1964 H HB2 . TYR A 1 31 ? 1.188 -9.928 -1.406 1.00 0.00 ? 31 TYR A HB2 2 ATOM 1965 H HB3 . TYR A 1 31 ? 1.671 -8.623 -0.327 1.00 0.00 ? 31 TYR A HB3 2 ATOM 1966 H HD1 . TYR A 1 31 ? 1.075 -8.682 2.042 1.00 0.00 ? 31 TYR A HD1 2 ATOM 1967 H HD2 . TYR A 1 31 ? 0.017 -11.870 -0.569 1.00 0.00 ? 31 TYR A HD2 2 ATOM 1968 H HE1 . TYR A 1 31 ? 0.608 -10.112 3.987 1.00 0.00 ? 31 TYR A HE1 2 ATOM 1969 H HE2 . TYR A 1 31 ? -0.455 -13.309 1.369 1.00 0.00 ? 31 TYR A HE2 2 ATOM 1970 H HH . TYR A 1 31 ? 0.569 -12.655 4.435 1.00 0.00 ? 31 TYR A HH 2 ATOM 1971 N N . GLU A 1 32 ? 0.415 -8.452 -3.358 1.00 0.00 ? 32 GLU A N 2 ATOM 1972 C CA . GLU A 1 32 ? 0.775 -7.851 -4.637 1.00 0.00 ? 32 GLU A CA 2 ATOM 1973 C C . GLU A 1 32 ? -0.150 -6.684 -4.969 1.00 0.00 ? 32 GLU A C 2 ATOM 1974 O O . GLU A 1 32 ? 0.307 -5.571 -5.229 1.00 0.00 ? 32 GLU A O 2 ATOM 1975 C CB . GLU A 1 32 ? 0.714 -8.897 -5.752 1.00 0.00 ? 32 GLU A CB 2 ATOM 1976 C CG . GLU A 1 32 ? 1.415 -8.467 -7.029 1.00 0.00 ? 32 GLU A CG 2 ATOM 1977 C CD . GLU A 1 32 ? 0.555 -7.565 -7.892 1.00 0.00 ? 32 GLU A CD 2 ATOM 1978 O OE1 . GLU A 1 32 ? -0.606 -7.936 -8.166 1.00 0.00 ? 32 GLU A OE1 2 ATOM 1979 O OE2 . GLU A 1 32 ? 1.043 -6.488 -8.293 1.00 0.00 ? 32 GLU A OE2 2 ATOM 1980 H H . GLU A 1 32 ? 0.477 -9.424 -3.252 1.00 0.00 ? 32 GLU A H 2 ATOM 1981 H HA . GLU A 1 32 ? 1.786 -7.482 -4.558 1.00 0.00 ? 32 GLU A HA 2 ATOM 1982 H HB2 . GLU A 1 32 ? 1.176 -9.808 -5.400 1.00 0.00 ? 32 GLU A HB2 2 ATOM 1983 H HB3 . GLU A 1 32 ? -0.322 -9.097 -5.985 1.00 0.00 ? 32 GLU A HB3 2 ATOM 1984 H HG2 . GLU A 1 32 ? 2.318 -7.935 -6.768 1.00 0.00 ? 32 GLU A HG2 2 ATOM 1985 H HG3 . GLU A 1 32 ? 1.671 -9.349 -7.599 1.00 0.00 ? 32 GLU A HG3 2 ATOM 1986 N N . GLU A 1 33 ? -1.453 -6.947 -4.959 1.00 0.00 ? 33 GLU A N 2 ATOM 1987 C CA . GLU A 1 33 ? -2.442 -5.919 -5.260 1.00 0.00 ? 33 GLU A CA 2 ATOM 1988 C C . GLU A 1 33 ? -2.159 -4.644 -4.472 1.00 0.00 ? 33 GLU A C 2 ATOM 1989 O O . GLU A 1 33 ? -2.127 -3.549 -5.033 1.00 0.00 ? 33 GLU A O 2 ATOM 1990 C CB . GLU A 1 33 ? -3.851 -6.426 -4.942 1.00 0.00 ? 33 GLU A CB 2 ATOM 1991 C CG . GLU A 1 33 ? -4.259 -7.641 -5.758 1.00 0.00 ? 33 GLU A CG 2 ATOM 1992 C CD . GLU A 1 33 ? -4.096 -7.423 -7.250 1.00 0.00 ? 33 GLU A CD 2 ATOM 1993 O OE1 . GLU A 1 33 ? -4.150 -6.255 -7.688 1.00 0.00 ? 33 GLU A OE1 2 ATOM 1994 O OE2 . GLU A 1 33 ? -3.914 -8.420 -7.979 1.00 0.00 ? 33 GLU A OE2 2 ATOM 1995 H H . GLU A 1 33 ? -1.756 -7.854 -4.744 1.00 0.00 ? 33 GLU A H 2 ATOM 1996 H HA . GLU A 1 33 ? -2.379 -5.697 -6.315 1.00 0.00 ? 33 GLU A HA 2 ATOM 1997 H HB2 . GLU A 1 33 ? -3.898 -6.688 -3.896 1.00 0.00 ? 33 GLU A HB2 2 ATOM 1998 H HB3 . GLU A 1 33 ? -4.557 -5.633 -5.138 1.00 0.00 ? 33 GLU A HB3 2 ATOM 1999 H HG2 . GLU A 1 33 ? -3.646 -8.479 -5.463 1.00 0.00 ? 33 GLU A HG2 2 ATOM 2000 H HG3 . GLU A 1 33 ? -5.296 -7.864 -5.553 1.00 0.00 ? 33 GLU A HG3 2 ATOM 2001 N N . ALA A 1 34 ? -1.954 -4.795 -3.168 1.00 0.00 ? 34 ALA A N 2 ATOM 2002 C CA . ALA A 1 34 ? -1.672 -3.656 -2.302 1.00 0.00 ? 34 ALA A CA 2 ATOM 2003 C C . ALA A 1 34 ? -0.341 -3.007 -2.665 1.00 0.00 ? 34 ALA A C 2 ATOM 2004 O O . ALA A 1 34 ? -0.243 -1.784 -2.767 1.00 0.00 ? 34 ALA A O 2 ATOM 2005 C CB . ALA A 1 34 ? -1.670 -4.090 -0.843 1.00 0.00 ? 34 ALA A CB 2 ATOM 2006 H H . ALA A 1 34 ? -1.992 -5.693 -2.778 1.00 0.00 ? 34 ALA A H 2 ATOM 2007 H HA . ALA A 1 34 ? -2.462 -2.932 -2.435 1.00 0.00 ? 34 ALA A HA 2 ATOM 2008 H HB1 . ALA A 1 34 ? -0.747 -4.608 -0.625 1.00 0.00 ? 34 ALA A HB1 2 ATOM 2009 H HB2 . ALA A 1 34 ? -1.754 -3.220 -0.209 1.00 0.00 ? 34 ALA A HB2 2 ATOM 2010 H HB3 . ALA A 1 34 ? -2.505 -4.750 -0.663 1.00 0.00 ? 34 ALA A HB3 2 ATOM 2011 N N . ILE A 1 35 ? 0.682 -3.834 -2.857 1.00 0.00 ? 35 ILE A N 2 ATOM 2012 C CA . ILE A 1 35 ? 2.007 -3.339 -3.209 1.00 0.00 ? 35 ILE A CA 2 ATOM 2013 C C . ILE A 1 35 ? 1.916 -2.148 -4.156 1.00 0.00 ? 35 ILE A C 2 ATOM 2014 O O . ILE A 1 35 ? 2.420 -1.065 -3.859 1.00 0.00 ? 35 ILE A O 2 ATOM 2015 C CB . ILE A 1 35 ? 2.863 -4.439 -3.866 1.00 0.00 ? 35 ILE A CB 2 ATOM 2016 C CG1 . ILE A 1 35 ? 3.095 -5.589 -2.884 1.00 0.00 ? 35 ILE A CG1 2 ATOM 2017 C CG2 . ILE A 1 35 ? 4.189 -3.865 -4.341 1.00 0.00 ? 35 ILE A CG2 2 ATOM 2018 C CD1 . ILE A 1 35 ? 3.834 -6.761 -3.491 1.00 0.00 ? 35 ILE A CD1 2 ATOM 2019 H H . ILE A 1 35 ? 0.542 -4.798 -2.761 1.00 0.00 ? 35 ILE A H 2 ATOM 2020 H HA . ILE A 1 35 ? 2.498 -3.025 -2.299 1.00 0.00 ? 35 ILE A HA 2 ATOM 2021 H HB . ILE A 1 35 ? 2.330 -4.812 -4.727 1.00 0.00 ? 35 ILE A HB 2 ATOM 2022 H HG12 . ILE A 1 35 ? 3.673 -5.230 -2.048 1.00 0.00 ? 35 ILE A HG12 2 ATOM 2023 H HG13 . ILE A 1 35 ? 2.139 -5.947 -2.528 1.00 0.00 ? 35 ILE A HG13 2 ATOM 2024 H HG21 . ILE A 1 35 ? 4.013 -2.938 -4.866 1.00 0.00 ? 35 ILE A HG21 2 ATOM 2025 H HG22 . ILE A 1 35 ? 4.826 -3.680 -3.489 1.00 0.00 ? 35 ILE A HG22 2 ATOM 2026 H HG23 . ILE A 1 35 ? 4.669 -4.569 -5.004 1.00 0.00 ? 35 ILE A HG23 2 ATOM 2027 H HD11 . ILE A 1 35 ? 3.878 -6.644 -4.563 1.00 0.00 ? 35 ILE A HD11 2 ATOM 2028 H HD12 . ILE A 1 35 ? 4.836 -6.802 -3.091 1.00 0.00 ? 35 ILE A HD12 2 ATOM 2029 H HD13 . ILE A 1 35 ? 3.313 -7.678 -3.251 1.00 0.00 ? 35 ILE A HD13 2 ATOM 2030 N N . SER A 1 36 ? 1.267 -2.355 -5.298 1.00 0.00 ? 36 SER A N 2 ATOM 2031 C CA . SER A 1 36 ? 1.111 -1.299 -6.291 1.00 0.00 ? 36 SER A CA 2 ATOM 2032 C C . SER A 1 36 ? 0.378 -0.099 -5.697 1.00 0.00 ? 36 SER A C 2 ATOM 2033 O O . SER A 1 36 ? 0.906 1.013 -5.670 1.00 0.00 ? 36 SER A O 2 ATOM 2034 C CB . SER A 1 36 ? 0.350 -1.824 -7.510 1.00 0.00 ? 36 SER A CB 2 ATOM 2035 O OG . SER A 1 36 ? -0.911 -2.351 -7.135 1.00 0.00 ? 36 SER A OG 2 ATOM 2036 H H . SER A 1 36 ? 0.887 -3.241 -5.477 1.00 0.00 ? 36 SER A H 2 ATOM 2037 H HA . SER A 1 36 ? 2.097 -0.986 -6.600 1.00 0.00 ? 36 SER A HA 2 ATOM 2038 H HB2 . SER A 1 36 ? 0.195 -1.017 -8.210 1.00 0.00 ? 36 SER A HB2 2 ATOM 2039 H HB3 . SER A 1 36 ? 0.927 -2.605 -7.982 1.00 0.00 ? 36 SER A HB3 2 ATOM 2040 H HG . SER A 1 36 ? -1.199 -2.990 -7.790 1.00 0.00 ? 36 SER A HG 2 ATOM 2041 N N . CYS A 1 37 ? -0.840 -0.334 -5.224 1.00 0.00 ? 37 CYS A N 2 ATOM 2042 C CA . CYS A 1 37 ? -1.647 0.727 -4.631 1.00 0.00 ? 37 CYS A CA 2 ATOM 2043 C C . CYS A 1 37 ? -0.771 1.715 -3.868 1.00 0.00 ? 37 CYS A C 2 ATOM 2044 O O . CYS A 1 37 ? -0.993 2.925 -3.919 1.00 0.00 ? 37 CYS A O 2 ATOM 2045 C CB . CYS A 1 37 ? -2.700 0.132 -3.695 1.00 0.00 ? 37 CYS A CB 2 ATOM 2046 S SG . CYS A 1 37 ? -4.210 1.118 -3.559 1.00 0.00 ? 37 CYS A SG 2 ATOM 2047 H H . CYS A 1 37 ? -1.207 -1.241 -5.274 1.00 0.00 ? 37 CYS A H 2 ATOM 2048 H HA . CYS A 1 37 ? -2.146 1.250 -5.432 1.00 0.00 ? 37 CYS A HA 2 ATOM 2049 H HB2 . CYS A 1 37 ? -2.980 -0.847 -4.055 1.00 0.00 ? 37 CYS A HB2 2 ATOM 2050 H HB3 . CYS A 1 37 ? -2.278 0.036 -2.705 1.00 0.00 ? 37 CYS A HB3 2 ATOM 2051 H HG . CYS A 1 37 ? -4.587 1.115 -2.290 1.00 0.00 ? 37 CYS A HG 2 ATOM 2052 N N . HIS A 1 38 ? 0.224 1.191 -3.160 1.00 0.00 ? 38 HIS A N 2 ATOM 2053 C CA . HIS A 1 38 ? 1.134 2.028 -2.386 1.00 0.00 ? 38 HIS A CA 2 ATOM 2054 C C . HIS A 1 38 ? 2.028 2.855 -3.305 1.00 0.00 ? 38 HIS A C 2 ATOM 2055 O O . HIS A 1 38 ? 2.164 4.066 -3.129 1.00 0.00 ? 38 HIS A O 2 ATOM 2056 C CB . HIS A 1 38 ? 1.993 1.164 -1.462 1.00 0.00 ? 38 HIS A CB 2 ATOM 2057 C CG . HIS A 1 38 ? 1.324 0.824 -0.165 1.00 0.00 ? 38 HIS A CG 2 ATOM 2058 N ND1 . HIS A 1 38 ? 0.598 1.738 0.568 1.00 0.00 ? 38 HIS A ND1 2 ATOM 2059 C CD2 . HIS A 1 38 ? 1.274 -0.337 0.527 1.00 0.00 ? 38 HIS A CD2 2 ATOM 2060 C CE1 . HIS A 1 38 ? 0.130 1.154 1.657 1.00 0.00 ? 38 HIS A CE1 2 ATOM 2061 N NE2 . HIS A 1 38 ? 0.526 -0.107 1.655 1.00 0.00 ? 38 HIS A NE2 2 ATOM 2062 H H . HIS A 1 38 ? 0.351 0.220 -3.160 1.00 0.00 ? 38 HIS A H 2 ATOM 2063 H HA . HIS A 1 38 ? 0.538 2.698 -1.785 1.00 0.00 ? 38 HIS A HA 2 ATOM 2064 H HB2 . HIS A 1 38 ? 2.231 0.238 -1.964 1.00 0.00 ? 38 HIS A HB2 2 ATOM 2065 H HB3 . HIS A 1 38 ? 2.909 1.691 -1.236 1.00 0.00 ? 38 HIS A HB3 2 ATOM 2066 H HD1 . HIS A 1 38 ? 0.448 2.676 0.328 1.00 0.00 ? 38 HIS A HD1 2 ATOM 2067 H HD2 . HIS A 1 38 ? 1.735 -1.273 0.245 1.00 0.00 ? 38 HIS A HD2 2 ATOM 2068 H HE1 . HIS A 1 38 ? -0.473 1.625 2.418 1.00 0.00 ? 38 HIS A HE1 2 ATOM 2069 H HE2 . HIS A 1 38 ? 0.390 -0.741 2.389 1.00 0.00 ? 38 HIS A HE2 2 ATOM 2070 N N . ARG A 1 39 ? 2.635 2.193 -4.284 1.00 0.00 ? 39 ARG A N 2 ATOM 2071 C CA . ARG A 1 39 ? 3.517 2.867 -5.230 1.00 0.00 ? 39 ARG A CA 2 ATOM 2072 C C . ARG A 1 39 ? 2.761 3.937 -6.010 1.00 0.00 ? 39 ARG A C 2 ATOM 2073 O O . ARG A 1 39 ? 3.256 5.048 -6.201 1.00 0.00 ? 39 ARG A O 2 ATOM 2074 C CB . ARG A 1 39 ? 4.132 1.854 -6.197 1.00 0.00 ? 39 ARG A CB 2 ATOM 2075 C CG . ARG A 1 39 ? 5.039 0.839 -5.521 1.00 0.00 ? 39 ARG A CG 2 ATOM 2076 C CD . ARG A 1 39 ? 5.756 -0.033 -6.540 1.00 0.00 ? 39 ARG A CD 2 ATOM 2077 N NE . ARG A 1 39 ? 7.032 0.544 -6.953 1.00 0.00 ? 39 ARG A NE 2 ATOM 2078 C CZ . ARG A 1 39 ? 7.659 0.215 -8.077 1.00 0.00 ? 39 ARG A CZ 2 ATOM 2079 N NH1 . ARG A 1 39 ? 7.129 -0.683 -8.896 1.00 0.00 ? 39 ARG A NH1 2 ATOM 2080 N NH2 . ARG A 1 39 ? 8.817 0.784 -8.384 1.00 0.00 ? 39 ARG A NH2 2 ATOM 2081 H H . ARG A 1 39 ? 2.487 1.228 -4.373 1.00 0.00 ? 39 ARG A H 2 ATOM 2082 H HA . ARG A 1 39 ? 4.308 3.339 -4.667 1.00 0.00 ? 39 ARG A HA 2 ATOM 2083 H HB2 . ARG A 1 39 ? 3.336 1.318 -6.693 1.00 0.00 ? 39 ARG A HB2 2 ATOM 2084 H HB3 . ARG A 1 39 ? 4.711 2.386 -6.936 1.00 0.00 ? 39 ARG A HB3 2 ATOM 2085 H HG2 . ARG A 1 39 ? 5.776 1.364 -4.932 1.00 0.00 ? 39 ARG A HG2 2 ATOM 2086 H HG3 . ARG A 1 39 ? 4.443 0.209 -4.877 1.00 0.00 ? 39 ARG A HG3 2 ATOM 2087 H HD2 . ARG A 1 39 ? 5.936 -1.003 -6.100 1.00 0.00 ? 39 ARG A HD2 2 ATOM 2088 H HD3 . ARG A 1 39 ? 5.123 -0.144 -7.408 1.00 0.00 ? 39 ARG A HD3 2 ATOM 2089 H HE . ARG A 1 39 ? 7.442 1.210 -6.362 1.00 0.00 ? 39 ARG A HE 2 ATOM 2090 H HH11 . ARG A 1 39 ? 6.255 -1.113 -8.668 1.00 0.00 ? 39 ARG A HH11 2 ATOM 2091 H HH12 . ARG A 1 39 ? 7.602 -0.928 -9.743 1.00 0.00 ? 39 ARG A HH12 2 ATOM 2092 H HH21 . ARG A 1 39 ? 9.219 1.462 -7.769 1.00 0.00 ? 39 ARG A HH21 2 ATOM 2093 H HH22 . ARG A 1 39 ? 9.288 0.536 -9.230 1.00 0.00 ? 39 ARG A HH22 2 ATOM 2094 N N . LYS A 1 40 ? 1.558 3.596 -6.461 1.00 0.00 ? 40 LYS A N 2 ATOM 2095 C CA . LYS A 1 40 ? 0.732 4.527 -7.220 1.00 0.00 ? 40 LYS A CA 2 ATOM 2096 C C . LYS A 1 40 ? 0.512 5.819 -6.441 1.00 0.00 ? 40 LYS A C 2 ATOM 2097 O O . LYS A 1 40 ? 0.675 6.914 -6.978 1.00 0.00 ? 40 LYS A O 2 ATOM 2098 C CB . LYS A 1 40 ? -0.616 3.886 -7.558 1.00 0.00 ? 40 LYS A CB 2 ATOM 2099 C CG . LYS A 1 40 ? -0.497 2.482 -8.125 1.00 0.00 ? 40 LYS A CG 2 ATOM 2100 C CD . LYS A 1 40 ? -1.687 2.132 -9.002 1.00 0.00 ? 40 LYS A CD 2 ATOM 2101 C CE . LYS A 1 40 ? -2.860 1.626 -8.175 1.00 0.00 ? 40 LYS A CE 2 ATOM 2102 N NZ . LYS A 1 40 ? -3.523 2.727 -7.423 1.00 0.00 ? 40 LYS A NZ 2 ATOM 2103 H H . LYS A 1 40 ? 1.218 2.695 -6.277 1.00 0.00 ? 40 LYS A H 2 ATOM 2104 H HA . LYS A 1 40 ? 1.251 4.758 -8.138 1.00 0.00 ? 40 LYS A HA 2 ATOM 2105 H HB2 . LYS A 1 40 ? -1.214 3.839 -6.660 1.00 0.00 ? 40 LYS A HB2 2 ATOM 2106 H HB3 . LYS A 1 40 ? -1.122 4.504 -8.286 1.00 0.00 ? 40 LYS A HB3 2 ATOM 2107 H HG2 . LYS A 1 40 ? 0.404 2.417 -8.717 1.00 0.00 ? 40 LYS A HG2 2 ATOM 2108 H HG3 . LYS A 1 40 ? -0.444 1.777 -7.308 1.00 0.00 ? 40 LYS A HG3 2 ATOM 2109 H HD2 . LYS A 1 40 ? -1.997 3.014 -9.543 1.00 0.00 ? 40 LYS A HD2 2 ATOM 2110 H HD3 . LYS A 1 40 ? -1.394 1.363 -9.703 1.00 0.00 ? 40 LYS A HD3 2 ATOM 2111 H HE2 . LYS A 1 40 ? -3.579 1.169 -8.837 1.00 0.00 ? 40 LYS A HE2 2 ATOM 2112 H HE3 . LYS A 1 40 ? -2.497 0.890 -7.474 1.00 0.00 ? 40 LYS A HE3 2 ATOM 2113 H HZ1 . LYS A 1 40 ? -4.507 2.468 -7.205 1.00 0.00 ? 40 LYS A HZ1 2 ATOM 2114 H HZ2 . LYS A 1 40 ? -3.524 3.598 -7.990 1.00 0.00 ? 40 LYS A HZ2 2 ATOM 2115 H HZ3 . LYS A 1 40 ? -3.018 2.906 -6.532 1.00 0.00 ? 40 LYS A HZ3 2 ATOM 2116 N N . ALA A 1 41 ? 0.141 5.684 -5.172 1.00 0.00 ? 41 ALA A N 2 ATOM 2117 C CA . ALA A 1 41 ? -0.098 6.841 -4.318 1.00 0.00 ? 41 ALA A CA 2 ATOM 2118 C C . ALA A 1 41 ? 1.178 7.652 -4.123 1.00 0.00 ? 41 ALA A C 2 ATOM 2119 O O . ALA A 1 41 ? 1.243 8.826 -4.490 1.00 0.00 ? 41 ALA A O 2 ATOM 2120 C CB . ALA A 1 41 ? -0.655 6.398 -2.973 1.00 0.00 ? 41 ALA A CB 2 ATOM 2121 H H . ALA A 1 41 ? 0.027 4.784 -4.801 1.00 0.00 ? 41 ALA A H 2 ATOM 2122 H HA . ALA A 1 41 ? -0.838 7.463 -4.800 1.00 0.00 ? 41 ALA A HA 2 ATOM 2123 H HB1 . ALA A 1 41 ? -0.312 7.073 -2.203 1.00 0.00 ? 41 ALA A HB1 2 ATOM 2124 H HB2 . ALA A 1 41 ? -1.734 6.411 -3.009 1.00 0.00 ? 41 ALA A HB2 2 ATOM 2125 H HB3 . ALA A 1 41 ? -0.314 5.398 -2.754 1.00 0.00 ? 41 ALA A HB3 2 ATOM 2126 N N . THR A 1 42 ? 2.193 7.020 -3.542 1.00 0.00 ? 42 THR A N 2 ATOM 2127 C CA . THR A 1 42 ? 3.467 7.683 -3.296 1.00 0.00 ? 42 THR A CA 2 ATOM 2128 C C . THR A 1 42 ? 3.822 8.632 -4.435 1.00 0.00 ? 42 THR A C 2 ATOM 2129 O O . THR A 1 42 ? 4.107 9.809 -4.212 1.00 0.00 ? 42 THR A O 2 ATOM 2130 C CB . THR A 1 42 ? 4.607 6.663 -3.119 1.00 0.00 ? 42 THR A CB 2 ATOM 2131 O OG1 . THR A 1 42 ? 4.573 5.702 -4.180 1.00 0.00 ? 42 THR A OG1 2 ATOM 2132 C CG2 . THR A 1 42 ? 4.494 5.951 -1.779 1.00 0.00 ? 42 THR A CG2 2 ATOM 2133 H H . THR A 1 42 ? 2.080 6.085 -3.271 1.00 0.00 ? 42 THR A H 2 ATOM 2134 H HA . THR A 1 42 ? 3.376 8.252 -2.382 1.00 0.00 ? 42 THR A HA 2 ATOM 2135 H HB . THR A 1 42 ? 5.550 7.190 -3.151 1.00 0.00 ? 42 THR A HB 2 ATOM 2136 H HG1 . THR A 1 42 ? 5.411 5.713 -4.650 1.00 0.00 ? 42 THR A HG1 2 ATOM 2137 H HG21 . THR A 1 42 ? 5.332 5.282 -1.655 1.00 0.00 ? 42 THR A HG21 2 ATOM 2138 H HG22 . THR A 1 42 ? 3.574 5.387 -1.749 1.00 0.00 ? 42 THR A HG22 2 ATOM 2139 H HG23 . THR A 1 42 ? 4.495 6.681 -0.984 1.00 0.00 ? 42 THR A HG23 2 ATOM 2140 N N . THR A 1 43 ? 3.802 8.113 -5.659 1.00 0.00 ? 43 THR A N 2 ATOM 2141 C CA . THR A 1 43 ? 4.121 8.914 -6.834 1.00 0.00 ? 43 THR A CA 2 ATOM 2142 C C . THR A 1 43 ? 3.369 10.240 -6.818 1.00 0.00 ? 43 THR A C 2 ATOM 2143 O O . THR A 1 43 ? 3.977 11.310 -6.848 1.00 0.00 ? 43 THR A O 2 ATOM 2144 C CB . THR A 1 43 ? 3.784 8.162 -8.136 1.00 0.00 ? 43 THR A CB 2 ATOM 2145 O OG1 . THR A 1 43 ? 4.426 6.882 -8.142 1.00 0.00 ? 43 THR A OG1 2 ATOM 2146 C CG2 . THR A 1 43 ? 4.225 8.961 -9.352 1.00 0.00 ? 43 THR A CG2 2 ATOM 2147 H H . THR A 1 43 ? 3.567 7.169 -5.773 1.00 0.00 ? 43 THR A H 2 ATOM 2148 H HA . THR A 1 43 ? 5.183 9.113 -6.823 1.00 0.00 ? 43 THR A HA 2 ATOM 2149 H HB . THR A 1 43 ? 2.714 8.020 -8.184 1.00 0.00 ? 43 THR A HB 2 ATOM 2150 H HG1 . THR A 1 43 ? 5.215 6.916 -7.596 1.00 0.00 ? 43 THR A HG1 2 ATOM 2151 H HG21 . THR A 1 43 ? 3.661 8.643 -10.216 1.00 0.00 ? 43 THR A HG21 2 ATOM 2152 H HG22 . THR A 1 43 ? 5.278 8.797 -9.529 1.00 0.00 ? 43 THR A HG22 2 ATOM 2153 H HG23 . THR A 1 43 ? 4.049 10.012 -9.175 1.00 0.00 ? 43 THR A HG23 2 ATOM 2154 N N . TYR A 1 44 ? 2.044 10.162 -6.768 1.00 0.00 ? 44 TYR A N 2 ATOM 2155 C CA . TYR A 1 44 ? 1.208 11.357 -6.748 1.00 0.00 ? 44 TYR A CA 2 ATOM 2156 C C . TYR A 1 44 ? 1.686 12.338 -5.682 1.00 0.00 ? 44 TYR A C 2 ATOM 2157 O O . TYR A 1 44 ? 1.741 13.547 -5.914 1.00 0.00 ? 44 TYR A O 2 ATOM 2158 C CB . TYR A 1 44 ? -0.252 10.979 -6.493 1.00 0.00 ? 44 TYR A CB 2 ATOM 2159 C CG . TYR A 1 44 ? -1.142 12.166 -6.201 1.00 0.00 ? 44 TYR A CG 2 ATOM 2160 C CD1 . TYR A 1 44 ? -1.141 13.280 -7.032 1.00 0.00 ? 44 TYR A CD1 2 ATOM 2161 C CD2 . TYR A 1 44 ? -1.983 12.174 -5.096 1.00 0.00 ? 44 TYR A CD2 2 ATOM 2162 C CE1 . TYR A 1 44 ? -1.952 14.367 -6.769 1.00 0.00 ? 44 TYR A CE1 2 ATOM 2163 C CE2 . TYR A 1 44 ? -2.798 13.256 -4.826 1.00 0.00 ? 44 TYR A CE2 2 ATOM 2164 C CZ . TYR A 1 44 ? -2.779 14.350 -5.665 1.00 0.00 ? 44 TYR A CZ 2 ATOM 2165 O OH . TYR A 1 44 ? -3.589 15.430 -5.399 1.00 0.00 ? 44 TYR A OH 2 ATOM 2166 H H . TYR A 1 44 ? 1.617 9.280 -6.745 1.00 0.00 ? 44 TYR A H 2 ATOM 2167 H HA . TYR A 1 44 ? 1.284 11.830 -7.716 1.00 0.00 ? 44 TYR A HA 2 ATOM 2168 H HB2 . TYR A 1 44 ? -0.644 10.477 -7.364 1.00 0.00 ? 44 TYR A HB2 2 ATOM 2169 H HB3 . TYR A 1 44 ? -0.301 10.311 -5.646 1.00 0.00 ? 44 TYR A HB3 2 ATOM 2170 H HD1 . TYR A 1 44 ? -0.492 13.291 -7.895 1.00 0.00 ? 44 TYR A HD1 2 ATOM 2171 H HD2 . TYR A 1 44 ? -1.995 11.315 -4.440 1.00 0.00 ? 44 TYR A HD2 2 ATOM 2172 H HE1 . TYR A 1 44 ? -1.937 15.225 -7.426 1.00 0.00 ? 44 TYR A HE1 2 ATOM 2173 H HE2 . TYR A 1 44 ? -3.446 13.243 -3.962 1.00 0.00 ? 44 TYR A HE2 2 ATOM 2174 H HH . TYR A 1 44 ? -3.060 16.231 -5.386 1.00 0.00 ? 44 TYR A HH 2 ATOM 2175 N N . LEU A 1 45 ? 2.029 11.810 -4.513 1.00 0.00 ? 45 LEU A N 2 ATOM 2176 C CA . LEU A 1 45 ? 2.503 12.637 -3.409 1.00 0.00 ? 45 LEU A CA 2 ATOM 2177 C C . LEU A 1 45 ? 3.785 13.372 -3.790 1.00 0.00 ? 45 LEU A C 2 ATOM 2178 O O . LEU A 1 45 ? 3.913 14.575 -3.566 1.00 0.00 ? 45 LEU A O 2 ATOM 2179 C CB . LEU A 1 45 ? 2.745 11.777 -2.168 1.00 0.00 ? 45 LEU A CB 2 ATOM 2180 C CG . LEU A 1 45 ? 1.495 11.324 -1.411 1.00 0.00 ? 45 LEU A CG 2 ATOM 2181 C CD1 . LEU A 1 45 ? 1.872 10.404 -0.261 1.00 0.00 ? 45 LEU A CD1 2 ATOM 2182 C CD2 . LEU A 1 45 ? 0.716 12.528 -0.900 1.00 0.00 ? 45 LEU A CD2 2 ATOM 2183 H H . LEU A 1 45 ? 1.964 10.840 -4.388 1.00 0.00 ? 45 LEU A H 2 ATOM 2184 H HA . LEU A 1 45 ? 1.737 13.366 -3.189 1.00 0.00 ? 45 LEU A HA 2 ATOM 2185 H HB2 . LEU A 1 45 ? 3.282 10.894 -2.477 1.00 0.00 ? 45 LEU A HB2 2 ATOM 2186 H HB3 . LEU A 1 45 ? 3.358 12.348 -1.485 1.00 0.00 ? 45 LEU A HB3 2 ATOM 2187 H HG . LEU A 1 45 ? 0.855 10.772 -2.085 1.00 0.00 ? 45 LEU A HG 2 ATOM 2188 H HD11 . LEU A 1 45 ? 1.214 9.548 -0.255 1.00 0.00 ? 45 LEU A HD11 2 ATOM 2189 H HD12 . LEU A 1 45 ? 1.777 10.937 0.673 1.00 0.00 ? 45 LEU A HD12 2 ATOM 2190 H HD13 . LEU A 1 45 ? 2.893 10.073 -0.384 1.00 0.00 ? 45 LEU A HD13 2 ATOM 2191 H HD21 . LEU A 1 45 ? 0.454 12.372 0.136 1.00 0.00 ? 45 LEU A HD21 2 ATOM 2192 H HD22 . LEU A 1 45 ? -0.184 12.648 -1.485 1.00 0.00 ? 45 LEU A HD22 2 ATOM 2193 H HD23 . LEU A 1 45 ? 1.325 13.415 -0.989 1.00 0.00 ? 45 LEU A HD23 2 ATOM 2194 N N . SER A 1 46 ? 4.731 12.639 -4.369 1.00 0.00 ? 46 SER A N 2 ATOM 2195 C CA . SER A 1 46 ? 6.003 13.220 -4.781 1.00 0.00 ? 46 SER A CA 2 ATOM 2196 C C . SER A 1 46 ? 5.787 14.334 -5.801 1.00 0.00 ? 46 SER A C 2 ATOM 2197 O O . SER A 1 46 ? 6.512 15.328 -5.811 1.00 0.00 ? 46 SER A O 2 ATOM 2198 C CB . SER A 1 46 ? 6.913 12.142 -5.371 1.00 0.00 ? 46 SER A CB 2 ATOM 2199 O OG . SER A 1 46 ? 8.279 12.459 -5.166 1.00 0.00 ? 46 SER A OG 2 ATOM 2200 H H . SER A 1 46 ? 4.569 11.684 -4.521 1.00 0.00 ? 46 SER A H 2 ATOM 2201 H HA . SER A 1 46 ? 6.476 13.638 -3.904 1.00 0.00 ? 46 SER A HA 2 ATOM 2202 H HB2 . SER A 1 46 ? 6.701 11.196 -4.896 1.00 0.00 ? 46 SER A HB2 2 ATOM 2203 H HB3 . SER A 1 46 ? 6.730 12.061 -6.433 1.00 0.00 ? 46 SER A HB3 2 ATOM 2204 H HG . SER A 1 46 ? 8.376 13.409 -5.064 1.00 0.00 ? 46 SER A HG 2 ATOM 2205 N N . GLU A 1 47 ? 4.785 14.158 -6.656 1.00 0.00 ? 47 GLU A N 2 ATOM 2206 C CA . GLU A 1 47 ? 4.474 15.148 -7.681 1.00 0.00 ? 47 GLU A CA 2 ATOM 2207 C C . GLU A 1 47 ? 3.988 16.450 -7.051 1.00 0.00 ? 47 GLU A C 2 ATOM 2208 O O . GLU A 1 47 ? 4.373 17.539 -7.474 1.00 0.00 ? 47 GLU A O 2 ATOM 2209 C CB . GLU A 1 47 ? 3.413 14.605 -8.641 1.00 0.00 ? 47 GLU A CB 2 ATOM 2210 C CG . GLU A 1 47 ? 3.936 13.535 -9.584 1.00 0.00 ? 47 GLU A CG 2 ATOM 2211 C CD . GLU A 1 47 ? 4.665 14.117 -10.780 1.00 0.00 ? 47 GLU A CD 2 ATOM 2212 O OE1 . GLU A 1 47 ? 4.075 14.968 -11.477 1.00 0.00 ? 47 GLU A OE1 2 ATOM 2213 O OE2 . GLU A 1 47 ? 5.825 13.721 -11.018 1.00 0.00 ? 47 GLU A OE2 2 ATOM 2214 H H . GLU A 1 47 ? 4.243 13.344 -6.597 1.00 0.00 ? 47 GLU A H 2 ATOM 2215 H HA . GLU A 1 47 ? 5.379 15.347 -8.235 1.00 0.00 ? 47 GLU A HA 2 ATOM 2216 H HB2 . GLU A 1 47 ? 2.605 14.183 -8.062 1.00 0.00 ? 47 GLU A HB2 2 ATOM 2217 H HB3 . GLU A 1 47 ? 3.031 15.422 -9.234 1.00 0.00 ? 47 GLU A HB3 2 ATOM 2218 H HG2 . GLU A 1 47 ? 4.618 12.897 -9.042 1.00 0.00 ? 47 GLU A HG2 2 ATOM 2219 H HG3 . GLU A 1 47 ? 3.102 12.948 -9.940 1.00 0.00 ? 47 GLU A HG3 2 ATOM 2220 N N . ALA A 1 48 ? 3.138 16.327 -6.037 1.00 0.00 ? 48 ALA A N 2 ATOM 2221 C CA . ALA A 1 48 ? 2.599 17.493 -5.347 1.00 0.00 ? 48 ALA A CA 2 ATOM 2222 C C . ALA A 1 48 ? 3.714 18.322 -4.718 1.00 0.00 ? 48 ALA A C 2 ATOM 2223 O O . ALA A 1 48 ? 3.875 19.501 -5.032 1.00 0.00 ? 48 ALA A O 2 ATOM 2224 C CB . ALA A 1 48 ? 1.597 17.062 -4.286 1.00 0.00 ? 48 ALA A CB 2 ATOM 2225 H H . ALA A 1 48 ? 2.868 15.432 -5.745 1.00 0.00 ? 48 ALA A H 2 ATOM 2226 H HA . ALA A 1 48 ? 2.078 18.099 -6.073 1.00 0.00 ? 48 ALA A HA 2 ATOM 2227 H HB1 . ALA A 1 48 ? 0.595 17.251 -4.641 1.00 0.00 ? 48 ALA A HB1 2 ATOM 2228 H HB2 . ALA A 1 48 ? 1.716 16.007 -4.086 1.00 0.00 ? 48 ALA A HB2 2 ATOM 2229 H HB3 . ALA A 1 48 ? 1.770 17.622 -3.379 1.00 0.00 ? 48 ALA A HB3 2 ATOM 2230 N N . MET A 1 49 ? 4.479 17.699 -3.829 1.00 0.00 ? 49 MET A N 2 ATOM 2231 C CA . MET A 1 49 ? 5.579 18.381 -3.157 1.00 0.00 ? 49 MET A CA 2 ATOM 2232 C C . MET A 1 49 ? 6.549 18.979 -4.171 1.00 0.00 ? 49 MET A C 2 ATOM 2233 O O . MET A 1 49 ? 7.160 20.019 -3.923 1.00 0.00 ? 49 MET A O 2 ATOM 2234 C CB . MET A 1 49 ? 6.321 17.412 -2.235 1.00 0.00 ? 49 MET A CB 2 ATOM 2235 C CG . MET A 1 49 ? 6.868 16.188 -2.952 1.00 0.00 ? 49 MET A CG 2 ATOM 2236 S SD . MET A 1 49 ? 7.656 15.018 -1.829 1.00 0.00 ? 49 MET A SD 2 ATOM 2237 C CE . MET A 1 49 ? 6.572 15.131 -0.408 1.00 0.00 ? 49 MET A CE 2 ATOM 2238 H H . MET A 1 49 ? 4.302 16.758 -3.619 1.00 0.00 ? 49 MET A H 2 ATOM 2239 H HA . MET A 1 49 ? 5.160 19.179 -2.563 1.00 0.00 ? 49 MET A HA 2 ATOM 2240 H HB2 . MET A 1 49 ? 7.148 17.932 -1.775 1.00 0.00 ? 49 MET A HB2 2 ATOM 2241 H HB3 . MET A 1 49 ? 5.644 17.077 -1.463 1.00 0.00 ? 49 MET A HB3 2 ATOM 2242 H HG2 . MET A 1 49 ? 6.054 15.689 -3.456 1.00 0.00 ? 49 MET A HG2 2 ATOM 2243 H HG3 . MET A 1 49 ? 7.596 16.512 -3.682 1.00 0.00 ? 49 MET A HG3 2 ATOM 2244 H HE1 . MET A 1 49 ? 5.544 15.121 -0.738 1.00 0.00 ? 49 MET A HE1 2 ATOM 2245 H HE2 . MET A 1 49 ? 6.749 14.291 0.247 1.00 0.00 ? 49 MET A HE2 2 ATOM 2246 H HE3 . MET A 1 49 ? 6.770 16.050 0.124 1.00 0.00 ? 49 MET A HE3 2 ATOM 2247 N N . LYS A 1 50 ? 6.686 18.316 -5.314 1.00 0.00 ? 50 LYS A N 2 ATOM 2248 C CA . LYS A 1 50 ? 7.581 18.782 -6.367 1.00 0.00 ? 50 LYS A CA 2 ATOM 2249 C C . LYS A 1 50 ? 7.076 20.088 -6.972 1.00 0.00 ? 50 LYS A C 2 ATOM 2250 O O . LYS A 1 50 ? 7.831 20.820 -7.612 1.00 0.00 ? 50 LYS A O 2 ATOM 2251 C CB . LYS A 1 50 ? 7.712 17.719 -7.460 1.00 0.00 ? 50 LYS A CB 2 ATOM 2252 C CG . LYS A 1 50 ? 8.752 16.655 -7.152 1.00 0.00 ? 50 LYS A CG 2 ATOM 2253 C CD . LYS A 1 50 ? 8.670 15.495 -8.131 1.00 0.00 ? 50 LYS A CD 2 ATOM 2254 C CE . LYS A 1 50 ? 9.473 15.774 -9.393 1.00 0.00 ? 50 LYS A CE 2 ATOM 2255 N NZ . LYS A 1 50 ? 10.881 15.305 -9.269 1.00 0.00 ? 50 LYS A NZ 2 ATOM 2256 H H . LYS A 1 50 ? 6.172 17.492 -5.453 1.00 0.00 ? 50 LYS A H 2 ATOM 2257 H HA . LYS A 1 50 ? 8.551 18.954 -5.926 1.00 0.00 ? 50 LYS A HA 2 ATOM 2258 H HB2 . LYS A 1 50 ? 6.757 17.232 -7.589 1.00 0.00 ? 50 LYS A HB2 2 ATOM 2259 H HB3 . LYS A 1 50 ? 7.988 18.204 -8.386 1.00 0.00 ? 50 LYS A HB3 2 ATOM 2260 H HG2 . LYS A 1 50 ? 9.735 17.096 -7.214 1.00 0.00 ? 50 LYS A HG2 2 ATOM 2261 H HG3 . LYS A 1 50 ? 8.586 16.281 -6.151 1.00 0.00 ? 50 LYS A HG3 2 ATOM 2262 H HD2 . LYS A 1 50 ? 9.062 14.607 -7.658 1.00 0.00 ? 50 LYS A HD2 2 ATOM 2263 H HD3 . LYS A 1 50 ? 7.636 15.336 -8.401 1.00 0.00 ? 50 LYS A HD3 2 ATOM 2264 H HE2 . LYS A 1 50 ? 9.004 15.266 -10.221 1.00 0.00 ? 50 LYS A HE2 2 ATOM 2265 H HE3 . LYS A 1 50 ? 9.472 16.838 -9.576 1.00 0.00 ? 50 LYS A HE3 2 ATOM 2266 H HZ1 . LYS A 1 50 ? 11.378 15.855 -8.540 1.00 0.00 ? 50 LYS A HZ1 2 ATOM 2267 H HZ2 . LYS A 1 50 ? 11.377 15.423 -10.175 1.00 0.00 ? 50 LYS A HZ2 2 ATOM 2268 H HZ3 . LYS A 1 50 ? 10.901 14.300 -9.004 1.00 0.00 ? 50 LYS A HZ3 2 ATOM 2269 N N . LEU A 1 51 ? 5.796 20.375 -6.763 1.00 0.00 ? 51 LEU A N 2 ATOM 2270 C CA . LEU A 1 51 ? 5.190 21.594 -7.286 1.00 0.00 ? 51 LEU A CA 2 ATOM 2271 C C . LEU A 1 51 ? 5.198 22.700 -6.236 1.00 0.00 ? 51 LEU A C 2 ATOM 2272 O O . LEU A 1 51 ? 5.746 23.780 -6.459 1.00 0.00 ? 51 LEU A O 2 ATOM 2273 C CB . LEU A 1 51 ? 3.756 21.319 -7.743 1.00 0.00 ? 51 LEU A CB 2 ATOM 2274 C CG . LEU A 1 51 ? 3.588 20.881 -9.198 1.00 0.00 ? 51 LEU A CG 2 ATOM 2275 C CD1 . LEU A 1 51 ? 4.153 19.484 -9.403 1.00 0.00 ? 51 LEU A CD1 2 ATOM 2276 C CD2 . LEU A 1 51 ? 2.122 20.930 -9.604 1.00 0.00 ? 51 LEU A CD2 2 ATOM 2277 H H . LEU A 1 51 ? 5.244 19.753 -6.245 1.00 0.00 ? 51 LEU A H 2 ATOM 2278 H HA . LEU A 1 51 ? 5.774 21.917 -8.135 1.00 0.00 ? 51 LEU A HA 2 ATOM 2279 H HB2 . LEU A 1 51 ? 3.352 20.541 -7.115 1.00 0.00 ? 51 LEU A HB2 2 ATOM 2280 H HB3 . LEU A 1 51 ? 3.185 22.226 -7.602 1.00 0.00 ? 51 LEU A HB3 2 ATOM 2281 H HG . LEU A 1 51 ? 4.136 21.559 -9.838 1.00 0.00 ? 51 LEU A HG 2 ATOM 2282 H HD11 . LEU A 1 51 ? 4.993 19.335 -8.743 1.00 0.00 ? 51 LEU A HD11 2 ATOM 2283 H HD12 . LEU A 1 51 ? 4.476 19.373 -10.428 1.00 0.00 ? 51 LEU A HD12 2 ATOM 2284 H HD13 . LEU A 1 51 ? 3.389 18.751 -9.186 1.00 0.00 ? 51 LEU A HD13 2 ATOM 2285 H HD21 . LEU A 1 51 ? 1.502 20.852 -8.723 1.00 0.00 ? 51 LEU A HD21 2 ATOM 2286 H HD22 . LEU A 1 51 ? 1.905 20.108 -10.271 1.00 0.00 ? 51 LEU A HD22 2 ATOM 2287 H HD23 . LEU A 1 51 ? 1.919 21.865 -10.106 1.00 0.00 ? 51 LEU A HD23 2 ATOM 2288 N N . THR A 1 52 ? 4.587 22.423 -5.088 1.00 0.00 ? 52 THR A N 2 ATOM 2289 C CA . THR A 1 52 ? 4.524 23.394 -4.002 1.00 0.00 ? 52 THR A CA 2 ATOM 2290 C C . THR A 1 52 ? 5.914 23.903 -3.639 1.00 0.00 ? 52 THR A C 2 ATOM 2291 O O . THR A 1 52 ? 6.835 23.117 -3.417 1.00 0.00 ? 52 THR A O 2 ATOM 2292 C CB . THR A 1 52 ? 3.867 22.790 -2.746 1.00 0.00 ? 52 THR A CB 2 ATOM 2293 O OG1 . THR A 1 52 ? 3.431 23.836 -1.871 1.00 0.00 ? 52 THR A OG1 2 ATOM 2294 C CG2 . THR A 1 52 ? 4.839 21.879 -2.012 1.00 0.00 ? 52 THR A CG2 2 ATOM 2295 H H . THR A 1 52 ? 4.168 21.545 -4.970 1.00 0.00 ? 52 THR A H 2 ATOM 2296 H HA . THR A 1 52 ? 3.921 24.227 -4.333 1.00 0.00 ? 52 THR A HA 2 ATOM 2297 H HB . THR A 1 52 ? 3.010 22.206 -3.052 1.00 0.00 ? 52 THR A HB 2 ATOM 2298 H HG1 . THR A 1 52 ? 4.166 24.122 -1.323 1.00 0.00 ? 52 THR A HG1 2 ATOM 2299 H HG21 . THR A 1 52 ? 5.294 21.197 -2.714 1.00 0.00 ? 52 THR A HG21 2 ATOM 2300 H HG22 . THR A 1 52 ? 4.306 21.318 -1.258 1.00 0.00 ? 52 THR A HG22 2 ATOM 2301 H HG23 . THR A 1 52 ? 5.606 22.476 -1.542 1.00 0.00 ? 52 THR A HG23 2 ATOM 2302 N N . GLU A 1 53 ? 6.059 25.223 -3.579 1.00 0.00 ? 53 GLU A N 2 ATOM 2303 C CA . GLU A 1 53 ? 7.338 25.837 -3.243 1.00 0.00 ? 53 GLU A CA 2 ATOM 2304 C C . GLU A 1 53 ? 7.464 26.041 -1.736 1.00 0.00 ? 53 GLU A C 2 ATOM 2305 O O . GLU A 1 53 ? 8.561 25.977 -1.179 1.00 0.00 ? 53 GLU A O 2 ATOM 2306 C CB . GLU A 1 53 ? 7.492 27.177 -3.965 1.00 0.00 ? 53 GLU A CB 2 ATOM 2307 C CG . GLU A 1 53 ? 8.913 27.715 -3.953 1.00 0.00 ? 53 GLU A CG 2 ATOM 2308 C CD . GLU A 1 53 ? 8.964 29.230 -3.994 1.00 0.00 ? 53 GLU A CD 2 ATOM 2309 O OE1 . GLU A 1 53 ? 8.877 29.855 -2.916 1.00 0.00 ? 53 GLU A OE1 2 ATOM 2310 O OE2 . GLU A 1 53 ? 9.089 29.790 -5.102 1.00 0.00 ? 53 GLU A OE2 2 ATOM 2311 H H . GLU A 1 53 ? 5.288 25.798 -3.767 1.00 0.00 ? 53 GLU A H 2 ATOM 2312 H HA . GLU A 1 53 ? 8.122 25.170 -3.570 1.00 0.00 ? 53 GLU A HA 2 ATOM 2313 H HB2 . GLU A 1 53 ? 7.183 27.056 -4.993 1.00 0.00 ? 53 GLU A HB2 2 ATOM 2314 H HB3 . GLU A 1 53 ? 6.851 27.904 -3.489 1.00 0.00 ? 53 GLU A HB3 2 ATOM 2315 H HG2 . GLU A 1 53 ? 9.405 27.378 -3.052 1.00 0.00 ? 53 GLU A HG2 2 ATOM 2316 H HG3 . GLU A 1 53 ? 9.438 27.329 -4.814 1.00 0.00 ? 53 GLU A HG3 2 ATOM 2317 N N . SER A 1 54 ? 6.334 26.287 -1.081 1.00 0.00 ? 54 SER A N 2 ATOM 2318 C CA . SER A 1 54 ? 6.317 26.505 0.360 1.00 0.00 ? 54 SER A CA 2 ATOM 2319 C C . SER A 1 54 ? 7.038 25.375 1.089 1.00 0.00 ? 54 SER A C 2 ATOM 2320 O O . SER A 1 54 ? 7.219 24.287 0.543 1.00 0.00 ? 54 SER A O 2 ATOM 2321 C CB . SER A 1 54 ? 4.877 26.615 0.864 1.00 0.00 ? 54 SER A CB 2 ATOM 2322 O OG . SER A 1 54 ? 4.842 26.905 2.251 1.00 0.00 ? 54 SER A OG 2 ATOM 2323 H H . SER A 1 54 ? 5.491 26.325 -1.581 1.00 0.00 ? 54 SER A H 2 ATOM 2324 H HA . SER A 1 54 ? 6.832 27.432 0.561 1.00 0.00 ? 54 SER A HA 2 ATOM 2325 H HB2 . SER A 1 54 ? 4.371 27.405 0.331 1.00 0.00 ? 54 SER A HB2 2 ATOM 2326 H HB3 . SER A 1 54 ? 4.365 25.679 0.691 1.00 0.00 ? 54 SER A HB3 2 ATOM 2327 H HG . SER A 1 54 ? 4.270 27.660 2.406 1.00 0.00 ? 54 SER A HG 2 ATOM 2328 N N . GLU A 1 55 ? 7.447 25.642 2.325 1.00 0.00 ? 55 GLU A N 2 ATOM 2329 C CA . GLU A 1 55 ? 8.149 24.648 3.129 1.00 0.00 ? 55 GLU A CA 2 ATOM 2330 C C . GLU A 1 55 ? 7.161 23.743 3.859 1.00 0.00 ? 55 GLU A C 2 ATOM 2331 O O . GLU A 1 55 ? 7.109 22.538 3.613 1.00 0.00 ? 55 GLU A O 2 ATOM 2332 C CB . GLU A 1 55 ? 9.071 25.335 4.139 1.00 0.00 ? 55 GLU A CB 2 ATOM 2333 C CG . GLU A 1 55 ? 9.827 24.364 5.030 1.00 0.00 ? 55 GLU A CG 2 ATOM 2334 C CD . GLU A 1 55 ? 10.351 25.019 6.293 1.00 0.00 ? 55 GLU A CD 2 ATOM 2335 O OE1 . GLU A 1 55 ? 11.183 25.944 6.182 1.00 0.00 ? 55 GLU A OE1 2 ATOM 2336 O OE2 . GLU A 1 55 ? 9.928 24.607 7.394 1.00 0.00 ? 55 GLU A OE2 2 ATOM 2337 H H . GLU A 1 55 ? 7.273 26.528 2.706 1.00 0.00 ? 55 GLU A H 2 ATOM 2338 H HA . GLU A 1 55 ? 8.746 24.045 2.463 1.00 0.00 ? 55 GLU A HA 2 ATOM 2339 H HB2 . GLU A 1 55 ? 9.790 25.934 3.601 1.00 0.00 ? 55 GLU A HB2 2 ATOM 2340 H HB3 . GLU A 1 55 ? 8.477 25.980 4.769 1.00 0.00 ? 55 GLU A HB3 2 ATOM 2341 H HG2 . GLU A 1 55 ? 9.164 23.559 5.309 1.00 0.00 ? 55 GLU A HG2 2 ATOM 2342 H HG3 . GLU A 1 55 ? 10.664 23.964 4.476 1.00 0.00 ? 55 GLU A HG3 2 ATOM 2343 N N . GLN A 1 56 ? 6.380 24.333 4.759 1.00 0.00 ? 56 GLN A N 2 ATOM 2344 C CA . GLN A 1 56 ? 5.395 23.580 5.526 1.00 0.00 ? 56 GLN A CA 2 ATOM 2345 C C . GLN A 1 56 ? 4.674 22.567 4.641 1.00 0.00 ? 56 GLN A C 2 ATOM 2346 O O . GLN A 1 56 ? 4.757 21.361 4.868 1.00 0.00 ? 56 GLN A O 2 ATOM 2347 C CB . GLN A 1 56 ? 4.381 24.529 6.165 1.00 0.00 ? 56 GLN A CB 2 ATOM 2348 C CG . GLN A 1 56 ? 4.833 25.092 7.503 1.00 0.00 ? 56 GLN A CG 2 ATOM 2349 C CD . GLN A 1 56 ? 4.841 24.048 8.602 1.00 0.00 ? 56 GLN A CD 2 ATOM 2350 O OE1 . GLN A 1 56 ? 5.849 23.853 9.282 1.00 0.00 ? 56 GLN A OE1 2 ATOM 2351 N NE2 . GLN A 1 56 ? 3.713 23.371 8.784 1.00 0.00 ? 56 GLN A NE2 2 ATOM 2352 H H . GLN A 1 56 ? 6.469 25.296 4.910 1.00 0.00 ? 56 GLN A H 2 ATOM 2353 H HA . GLN A 1 56 ? 5.918 23.048 6.306 1.00 0.00 ? 56 GLN A HA 2 ATOM 2354 H HB2 . GLN A 1 56 ? 4.205 25.355 5.492 1.00 0.00 ? 56 GLN A HB2 2 ATOM 2355 H HB3 . GLN A 1 56 ? 3.454 23.997 6.319 1.00 0.00 ? 56 GLN A HB3 2 ATOM 2356 H HG2 . GLN A 1 56 ? 5.833 25.485 7.394 1.00 0.00 ? 56 GLN A HG2 2 ATOM 2357 H HG3 . GLN A 1 56 ? 4.164 25.890 7.788 1.00 0.00 ? 56 GLN A HG3 2 ATOM 2358 H HE21 . GLN A 1 56 ? 2.950 23.579 8.204 1.00 0.00 ? 56 GLN A HE21 2 ATOM 2359 H HE22 . GLN A 1 56 ? 3.691 22.689 9.487 1.00 0.00 ? 56 GLN A HE22 2 ATOM 2360 N N . ALA A 1 57 ? 3.967 23.068 3.633 1.00 0.00 ? 57 ALA A N 2 ATOM 2361 C CA . ALA A 1 57 ? 3.233 22.207 2.714 1.00 0.00 ? 57 ALA A CA 2 ATOM 2362 C C . ALA A 1 57 ? 4.047 20.969 2.352 1.00 0.00 ? 57 ALA A C 2 ATOM 2363 O O . ALA A 1 57 ? 3.596 19.840 2.544 1.00 0.00 ? 57 ALA A O 2 ATOM 2364 C CB . ALA A 1 57 ? 2.855 22.978 1.457 1.00 0.00 ? 57 ALA A CB 2 ATOM 2365 H H . ALA A 1 57 ? 3.940 24.039 3.504 1.00 0.00 ? 57 ALA A H 2 ATOM 2366 H HA . ALA A 1 57 ? 2.322 21.896 3.203 1.00 0.00 ? 57 ALA A HA 2 ATOM 2367 H HB1 . ALA A 1 57 ? 3.172 24.006 1.558 1.00 0.00 ? 57 ALA A HB1 2 ATOM 2368 H HB2 . ALA A 1 57 ? 3.341 22.533 0.602 1.00 0.00 ? 57 ALA A HB2 2 ATOM 2369 H HB3 . ALA A 1 57 ? 1.785 22.943 1.323 1.00 0.00 ? 57 ALA A HB3 2 ATOM 2370 N N . HIS A 1 58 ? 5.249 21.189 1.827 1.00 0.00 ? 58 HIS A N 2 ATOM 2371 C CA . HIS A 1 58 ? 6.126 20.091 1.439 1.00 0.00 ? 58 HIS A CA 2 ATOM 2372 C C . HIS A 1 58 ? 6.359 19.141 2.610 1.00 0.00 ? 58 HIS A C 2 ATOM 2373 O O . HIS A 1 58 ? 6.215 17.925 2.475 1.00 0.00 ? 58 HIS A O 2 ATOM 2374 C CB . HIS A 1 58 ? 7.463 20.632 0.932 1.00 0.00 ? 58 HIS A CB 2 ATOM 2375 C CG . HIS A 1 58 ? 8.500 19.571 0.727 1.00 0.00 ? 58 HIS A CG 2 ATOM 2376 N ND1 . HIS A 1 58 ? 8.926 18.730 1.733 1.00 0.00 ? 58 HIS A ND1 2 ATOM 2377 C CD2 . HIS A 1 58 ? 9.196 19.216 -0.379 1.00 0.00 ? 58 HIS A CD2 2 ATOM 2378 C CE1 . HIS A 1 58 ? 9.840 17.905 1.256 1.00 0.00 ? 58 HIS A CE1 2 ATOM 2379 N NE2 . HIS A 1 58 ? 10.022 18.178 -0.023 1.00 0.00 ? 58 HIS A NE2 2 ATOM 2380 H H . HIS A 1 58 ? 5.552 22.112 1.699 1.00 0.00 ? 58 HIS A H 2 ATOM 2381 H HA . HIS A 1 58 ? 5.643 19.546 0.641 1.00 0.00 ? 58 HIS A HA 2 ATOM 2382 H HB2 . HIS A 1 58 ? 7.307 21.130 -0.013 1.00 0.00 ? 58 HIS A HB2 2 ATOM 2383 H HB3 . HIS A 1 58 ? 7.851 21.342 1.648 1.00 0.00 ? 58 HIS A HB3 2 ATOM 2384 H HD1 . HIS A 1 58 ? 8.607 18.739 2.659 1.00 0.00 ? 58 HIS A HD1 2 ATOM 2385 H HD2 . HIS A 1 58 ? 9.117 19.665 -1.359 1.00 0.00 ? 58 HIS A HD2 2 ATOM 2386 H HE1 . HIS A 1 58 ? 10.352 17.136 1.816 1.00 0.00 ? 58 HIS A HE1 2 ATOM 2387 H HE2 . HIS A 1 58 ? 10.706 17.772 -0.595 1.00 0.00 ? 58 HIS A HE2 2 ATOM 2388 N N . LEU A 1 59 ? 6.721 19.703 3.758 1.00 0.00 ? 59 LEU A N 2 ATOM 2389 C CA . LEU A 1 59 ? 6.975 18.907 4.953 1.00 0.00 ? 59 LEU A CA 2 ATOM 2390 C C . LEU A 1 59 ? 5.790 17.998 5.264 1.00 0.00 ? 59 LEU A C 2 ATOM 2391 O O . LEU A 1 59 ? 5.954 16.794 5.466 1.00 0.00 ? 59 LEU A O 2 ATOM 2392 C CB . LEU A 1 59 ? 7.258 19.820 6.148 1.00 0.00 ? 59 LEU A CB 2 ATOM 2393 C CG . LEU A 1 59 ? 8.720 20.215 6.358 1.00 0.00 ? 59 LEU A CG 2 ATOM 2394 C CD1 . LEU A 1 59 ? 9.345 20.667 5.048 1.00 0.00 ? 59 LEU A CD1 2 ATOM 2395 C CD2 . LEU A 1 59 ? 8.831 21.309 7.410 1.00 0.00 ? 59 LEU A CD2 2 ATOM 2396 H H . LEU A 1 59 ? 6.819 20.677 3.804 1.00 0.00 ? 59 LEU A H 2 ATOM 2397 H HA . LEU A 1 59 ? 7.844 18.294 4.765 1.00 0.00 ? 59 LEU A HA 2 ATOM 2398 H HB2 . LEU A 1 59 ? 6.687 20.726 6.014 1.00 0.00 ? 59 LEU A HB2 2 ATOM 2399 H HB3 . LEU A 1 59 ? 6.920 19.311 7.039 1.00 0.00 ? 59 LEU A HB3 2 ATOM 2400 H HG . LEU A 1 59 ? 9.272 19.354 6.710 1.00 0.00 ? 59 LEU A HG 2 ATOM 2401 H HD11 . LEU A 1 59 ? 10.408 20.798 5.181 1.00 0.00 ? 59 LEU A HD11 2 ATOM 2402 H HD12 . LEU A 1 59 ? 8.903 21.604 4.743 1.00 0.00 ? 59 LEU A HD12 2 ATOM 2403 H HD13 . LEU A 1 59 ? 9.166 19.921 4.287 1.00 0.00 ? 59 LEU A HD13 2 ATOM 2404 H HD21 . LEU A 1 59 ? 9.644 21.973 7.154 1.00 0.00 ? 59 LEU A HD21 2 ATOM 2405 H HD22 . LEU A 1 59 ? 9.021 20.863 8.375 1.00 0.00 ? 59 LEU A HD22 2 ATOM 2406 H HD23 . LEU A 1 59 ? 7.908 21.868 7.446 1.00 0.00 ? 59 LEU A HD23 2 ATOM 2407 N N . SER A 1 60 ? 4.596 18.581 5.298 1.00 0.00 ? 60 SER A N 2 ATOM 2408 C CA . SER A 1 60 ? 3.384 17.823 5.586 1.00 0.00 ? 60 SER A CA 2 ATOM 2409 C C . SER A 1 60 ? 3.276 16.604 4.675 1.00 0.00 ? 60 SER A C 2 ATOM 2410 O O . SER A 1 60 ? 2.552 15.653 4.973 1.00 0.00 ? 60 SER A O 2 ATOM 2411 C CB . SER A 1 60 ? 2.150 18.712 5.416 1.00 0.00 ? 60 SER A CB 2 ATOM 2412 O OG . SER A 1 60 ? 1.870 19.429 6.605 1.00 0.00 ? 60 SER A OG 2 ATOM 2413 H H . SER A 1 60 ? 4.530 19.544 5.129 1.00 0.00 ? 60 SER A H 2 ATOM 2414 H HA . SER A 1 60 ? 3.437 17.488 6.611 1.00 0.00 ? 60 SER A HA 2 ATOM 2415 H HB2 . SER A 1 60 ? 2.324 19.417 4.617 1.00 0.00 ? 60 SER A HB2 2 ATOM 2416 H HB3 . SER A 1 60 ? 1.297 18.095 5.172 1.00 0.00 ? 60 SER A HB3 2 ATOM 2417 H HG . SER A 1 60 ? 1.597 18.817 7.292 1.00 0.00 ? 60 SER A HG 2 ATOM 2418 N N . LEU A 1 61 ? 4.001 16.640 3.562 1.00 0.00 ? 61 LEU A N 2 ATOM 2419 C CA . LEU A 1 61 ? 3.988 15.538 2.605 1.00 0.00 ? 61 LEU A CA 2 ATOM 2420 C C . LEU A 1 61 ? 5.140 14.574 2.870 1.00 0.00 ? 61 LEU A C 2 ATOM 2421 O O . LEU A 1 61 ? 4.926 13.380 3.076 1.00 0.00 ? 61 LEU A O 2 ATOM 2422 C CB . LEU A 1 61 ? 4.077 16.077 1.176 1.00 0.00 ? 61 LEU A CB 2 ATOM 2423 C CG . LEU A 1 61 ? 3.032 17.123 0.787 1.00 0.00 ? 61 LEU A CG 2 ATOM 2424 C CD1 . LEU A 1 61 ? 3.416 17.802 -0.518 1.00 0.00 ? 61 LEU A CD1 2 ATOM 2425 C CD2 . LEU A 1 61 ? 1.655 16.486 0.674 1.00 0.00 ? 61 LEU A CD2 2 ATOM 2426 H H . LEU A 1 61 ? 4.558 17.424 3.378 1.00 0.00 ? 61 LEU A H 2 ATOM 2427 H HA . LEU A 1 61 ? 3.055 15.007 2.724 1.00 0.00 ? 61 LEU A HA 2 ATOM 2428 H HB2 . LEU A 1 61 ? 5.052 16.521 1.050 1.00 0.00 ? 61 LEU A HB2 2 ATOM 2429 H HB3 . LEU A 1 61 ? 3.975 15.239 0.501 1.00 0.00 ? 61 LEU A HB3 2 ATOM 2430 H HG . LEU A 1 61 ? 2.988 17.882 1.557 1.00 0.00 ? 61 LEU A HG 2 ATOM 2431 H HD11 . LEU A 1 61 ? 3.577 17.053 -1.279 1.00 0.00 ? 61 LEU A HD11 2 ATOM 2432 H HD12 . LEU A 1 61 ? 4.323 18.371 -0.375 1.00 0.00 ? 61 LEU A HD12 2 ATOM 2433 H HD13 . LEU A 1 61 ? 2.621 18.464 -0.827 1.00 0.00 ? 61 LEU A HD13 2 ATOM 2434 H HD21 . LEU A 1 61 ? 1.744 15.518 0.204 1.00 0.00 ? 61 LEU A HD21 2 ATOM 2435 H HD22 . LEU A 1 61 ? 1.013 17.118 0.077 1.00 0.00 ? 61 LEU A HD22 2 ATOM 2436 H HD23 . LEU A 1 61 ? 1.230 16.369 1.660 1.00 0.00 ? 61 LEU A HD23 2 ATOM 2437 N N . GLU A 1 62 ? 6.360 15.102 2.865 1.00 0.00 ? 62 GLU A N 2 ATOM 2438 C CA . GLU A 1 62 ? 7.545 14.287 3.106 1.00 0.00 ? 62 GLU A CA 2 ATOM 2439 C C . GLU A 1 62 ? 7.315 13.323 4.266 1.00 0.00 ? 62 GLU A C 2 ATOM 2440 O O . GLU A 1 62 ? 7.981 12.292 4.372 1.00 0.00 ? 62 GLU A O 2 ATOM 2441 C CB . GLU A 1 62 ? 8.753 15.179 3.401 1.00 0.00 ? 62 GLU A CB 2 ATOM 2442 C CG . GLU A 1 62 ? 8.864 15.590 4.859 1.00 0.00 ? 62 GLU A CG 2 ATOM 2443 C CD . GLU A 1 62 ? 10.180 16.275 5.174 1.00 0.00 ? 62 GLU A CD 2 ATOM 2444 O OE1 . GLU A 1 62 ? 10.613 17.126 4.370 1.00 0.00 ? 62 GLU A OE1 2 ATOM 2445 O OE2 . GLU A 1 62 ? 10.776 15.959 6.225 1.00 0.00 ? 62 GLU A OE2 2 ATOM 2446 H H . GLU A 1 62 ? 6.465 16.061 2.694 1.00 0.00 ? 62 GLU A H 2 ATOM 2447 H HA . GLU A 1 62 ? 7.741 13.715 2.212 1.00 0.00 ? 62 GLU A HA 2 ATOM 2448 H HB2 . GLU A 1 62 ? 9.653 14.648 3.128 1.00 0.00 ? 62 GLU A HB2 2 ATOM 2449 H HB3 . GLU A 1 62 ? 8.678 16.074 2.801 1.00 0.00 ? 62 GLU A HB3 2 ATOM 2450 H HG2 . GLU A 1 62 ? 8.058 16.269 5.091 1.00 0.00 ? 62 GLU A HG2 2 ATOM 2451 H HG3 . GLU A 1 62 ? 8.778 14.707 5.476 1.00 0.00 ? 62 GLU A HG3 2 ATOM 2452 N N . LEU A 1 63 ? 6.369 13.665 5.133 1.00 0.00 ? 63 LEU A N 2 ATOM 2453 C CA . LEU A 1 63 ? 6.051 12.830 6.287 1.00 0.00 ? 63 LEU A CA 2 ATOM 2454 C C . LEU A 1 63 ? 5.046 11.745 5.913 1.00 0.00 ? 63 LEU A C 2 ATOM 2455 O O . LEU A 1 63 ? 5.270 10.563 6.173 1.00 0.00 ? 63 LEU A O 2 ATOM 2456 C CB . LEU A 1 63 ? 5.493 13.689 7.423 1.00 0.00 ? 63 LEU A CB 2 ATOM 2457 C CG . LEU A 1 63 ? 6.487 14.633 8.101 1.00 0.00 ? 63 LEU A CG 2 ATOM 2458 C CD1 . LEU A 1 63 ? 5.753 15.657 8.953 1.00 0.00 ? 63 LEU A CD1 2 ATOM 2459 C CD2 . LEU A 1 63 ? 7.479 13.847 8.945 1.00 0.00 ? 63 LEU A CD2 2 ATOM 2460 H H . LEU A 1 63 ? 5.872 14.498 4.996 1.00 0.00 ? 63 LEU A H 2 ATOM 2461 H HA . LEU A 1 63 ? 6.965 12.359 6.617 1.00 0.00 ? 63 LEU A HA 2 ATOM 2462 H HB2 . LEU A 1 63 ? 4.690 14.287 7.022 1.00 0.00 ? 63 LEU A HB2 2 ATOM 2463 H HB3 . LEU A 1 63 ? 5.101 13.022 8.178 1.00 0.00 ? 63 LEU A HB3 2 ATOM 2464 H HG . LEU A 1 63 ? 7.041 15.167 7.342 1.00 0.00 ? 63 LEU A HG 2 ATOM 2465 H HD11 . LEU A 1 63 ? 4.911 15.186 9.437 1.00 0.00 ? 63 LEU A HD11 2 ATOM 2466 H HD12 . LEU A 1 63 ? 5.404 16.464 8.325 1.00 0.00 ? 63 LEU A HD12 2 ATOM 2467 H HD13 . LEU A 1 63 ? 6.426 16.050 9.702 1.00 0.00 ? 63 LEU A HD13 2 ATOM 2468 H HD21 . LEU A 1 63 ? 7.736 12.929 8.437 1.00 0.00 ? 63 LEU A HD21 2 ATOM 2469 H HD22 . LEU A 1 63 ? 7.033 13.615 9.902 1.00 0.00 ? 63 LEU A HD22 2 ATOM 2470 H HD23 . LEU A 1 63 ? 8.370 14.437 9.096 1.00 0.00 ? 63 LEU A HD23 2 ATOM 2471 N N . GLN A 1 64 ? 3.940 12.156 5.301 1.00 0.00 ? 64 GLN A N 2 ATOM 2472 C CA . GLN A 1 64 ? 2.902 11.218 4.890 1.00 0.00 ? 64 GLN A CA 2 ATOM 2473 C C . GLN A 1 64 ? 3.482 10.115 4.010 1.00 0.00 ? 64 GLN A C 2 ATOM 2474 O O . GLN A 1 64 ? 3.026 8.972 4.049 1.00 0.00 ? 64 GLN A O 2 ATOM 2475 C CB . GLN A 1 64 ? 1.789 11.952 4.141 1.00 0.00 ? 64 GLN A CB 2 ATOM 2476 C CG . GLN A 1 64 ? 0.455 11.223 4.166 1.00 0.00 ? 64 GLN A CG 2 ATOM 2477 C CD . GLN A 1 64 ? -0.341 11.507 5.425 1.00 0.00 ? 64 GLN A CD 2 ATOM 2478 O OE1 . GLN A 1 64 ? -0.193 12.562 6.043 1.00 0.00 ? 64 GLN A OE1 2 ATOM 2479 N NE2 . GLN A 1 64 ? -1.193 10.565 5.811 1.00 0.00 ? 64 GLN A NE2 2 ATOM 2480 H H . GLN A 1 64 ? 3.820 13.111 5.121 1.00 0.00 ? 64 GLN A H 2 ATOM 2481 H HA . GLN A 1 64 ? 2.489 10.770 5.781 1.00 0.00 ? 64 GLN A HA 2 ATOM 2482 H HB2 . GLN A 1 64 ? 1.652 12.925 4.588 1.00 0.00 ? 64 GLN A HB2 2 ATOM 2483 H HB3 . GLN A 1 64 ? 2.086 12.077 3.110 1.00 0.00 ? 64 GLN A HB3 2 ATOM 2484 H HG2 . GLN A 1 64 ? -0.128 11.535 3.312 1.00 0.00 ? 64 GLN A HG2 2 ATOM 2485 H HG3 . GLN A 1 64 ? 0.639 10.161 4.106 1.00 0.00 ? 64 GLN A HG3 2 ATOM 2486 H HE21 . GLN A 1 64 ? -1.258 9.749 5.270 1.00 0.00 ? 64 GLN A HE21 2 ATOM 2487 H HE22 . GLN A 1 64 ? -1.720 10.722 6.622 1.00 0.00 ? 64 GLN A HE22 2 ATOM 2488 N N . ARG A 1 65 ? 4.489 10.466 3.217 1.00 0.00 ? 65 ARG A N 2 ATOM 2489 C CA . ARG A 1 65 ? 5.130 9.506 2.326 1.00 0.00 ? 65 ARG A CA 2 ATOM 2490 C C . ARG A 1 65 ? 5.814 8.398 3.122 1.00 0.00 ? 65 ARG A C 2 ATOM 2491 O O . ARG A 1 65 ? 5.656 7.215 2.821 1.00 0.00 ? 65 ARG A O 2 ATOM 2492 C CB . ARG A 1 65 ? 6.151 10.212 1.431 1.00 0.00 ? 65 ARG A CB 2 ATOM 2493 C CG . ARG A 1 65 ? 6.328 9.553 0.073 1.00 0.00 ? 65 ARG A CG 2 ATOM 2494 C CD . ARG A 1 65 ? 7.337 10.303 -0.782 1.00 0.00 ? 65 ARG A CD 2 ATOM 2495 N NE . ARG A 1 65 ? 8.707 10.097 -0.320 1.00 0.00 ? 65 ARG A NE 2 ATOM 2496 C CZ . ARG A 1 65 ? 9.279 10.826 0.632 1.00 0.00 ? 65 ARG A CZ 2 ATOM 2497 N NH1 . ARG A 1 65 ? 8.602 11.804 1.219 1.00 0.00 ? 65 ARG A NH1 2 ATOM 2498 N NH2 . ARG A 1 65 ? 10.530 10.578 0.998 1.00 0.00 ? 65 ARG A NH2 2 ATOM 2499 H H . ARG A 1 65 ? 4.809 11.392 3.231 1.00 0.00 ? 65 ARG A H 2 ATOM 2500 H HA . ARG A 1 65 ? 4.364 9.066 1.705 1.00 0.00 ? 65 ARG A HA 2 ATOM 2501 H HB2 . ARG A 1 65 ? 5.831 11.231 1.274 1.00 0.00 ? 65 ARG A HB2 2 ATOM 2502 H HB3 . ARG A 1 65 ? 7.107 10.217 1.932 1.00 0.00 ? 65 ARG A HB3 2 ATOM 2503 H HG2 . ARG A 1 65 ? 6.676 8.541 0.216 1.00 0.00 ? 65 ARG A HG2 2 ATOM 2504 H HG3 . ARG A 1 65 ? 5.376 9.540 -0.437 1.00 0.00 ? 65 ARG A HG3 2 ATOM 2505 H HD2 . ARG A 1 65 ? 7.255 9.955 -1.801 1.00 0.00 ? 65 ARG A HD2 2 ATOM 2506 H HD3 . ARG A 1 65 ? 7.108 11.358 -0.743 1.00 0.00 ? 65 ARG A HD3 2 ATOM 2507 H HE . ARG A 1 65 ? 9.225 9.380 -0.740 1.00 0.00 ? 65 ARG A HE 2 ATOM 2508 H HH11 . ARG A 1 65 ? 7.660 11.993 0.946 1.00 0.00 ? 65 ARG A HH11 2 ATOM 2509 H HH12 . ARG A 1 65 ? 9.035 12.351 1.936 1.00 0.00 ? 65 ARG A HH12 2 ATOM 2510 H HH21 . ARG A 1 65 ? 11.042 9.842 0.558 1.00 0.00 ? 65 ARG A HH21 2 ATOM 2511 H HH22 . ARG A 1 65 ? 10.959 11.127 1.714 1.00 0.00 ? 65 ARG A HH22 2 ATOM 2512 N N . ASP A 1 66 ? 6.576 8.791 4.137 1.00 0.00 ? 66 ASP A N 2 ATOM 2513 C CA . ASP A 1 66 ? 7.284 7.831 4.977 1.00 0.00 ? 66 ASP A CA 2 ATOM 2514 C C . ASP A 1 66 ? 6.469 6.553 5.148 1.00 0.00 ? 66 ASP A C 2 ATOM 2515 O O . ASP A 1 66 ? 6.871 5.483 4.692 1.00 0.00 ? 66 ASP A O 2 ATOM 2516 C CB . ASP A 1 66 ? 7.587 8.445 6.345 1.00 0.00 ? 66 ASP A CB 2 ATOM 2517 C CG . ASP A 1 66 ? 8.401 7.519 7.227 1.00 0.00 ? 66 ASP A CG 2 ATOM 2518 O OD1 . ASP A 1 66 ? 9.487 7.085 6.789 1.00 0.00 ? 66 ASP A OD1 2 ATOM 2519 O OD2 . ASP A 1 66 ? 7.951 7.226 8.355 1.00 0.00 ? 66 ASP A OD2 2 ATOM 2520 H H . ASP A 1 66 ? 6.663 9.748 4.327 1.00 0.00 ? 66 ASP A H 2 ATOM 2521 H HA . ASP A 1 66 ? 8.215 7.587 4.488 1.00 0.00 ? 66 ASP A HA 2 ATOM 2522 H HB2 . ASP A 1 66 ? 8.144 9.360 6.206 1.00 0.00 ? 66 ASP A HB2 2 ATOM 2523 H HB3 . ASP A 1 66 ? 6.657 8.667 6.847 1.00 0.00 ? 66 ASP A HB3 2 ATOM 2524 N N . SER A 1 67 ? 5.322 6.673 5.810 1.00 0.00 ? 67 SER A N 2 ATOM 2525 C CA . SER A 1 67 ? 4.453 5.526 6.046 1.00 0.00 ? 67 SER A CA 2 ATOM 2526 C C . SER A 1 67 ? 4.079 4.848 4.732 1.00 0.00 ? 67 SER A C 2 ATOM 2527 O O . SER A 1 67 ? 4.338 3.660 4.537 1.00 0.00 ? 67 SER A O 2 ATOM 2528 C CB . SER A 1 67 ? 3.187 5.963 6.786 1.00 0.00 ? 67 SER A CB 2 ATOM 2529 O OG . SER A 1 67 ? 3.502 6.797 7.887 1.00 0.00 ? 67 SER A OG 2 ATOM 2530 H H . SER A 1 67 ? 5.056 7.553 6.149 1.00 0.00 ? 67 SER A H 2 ATOM 2531 H HA . SER A 1 67 ? 4.993 4.821 6.660 1.00 0.00 ? 67 SER A HA 2 ATOM 2532 H HB2 . SER A 1 67 ? 2.548 6.509 6.108 1.00 0.00 ? 67 SER A HB2 2 ATOM 2533 H HB3 . SER A 1 67 ? 2.665 5.089 7.148 1.00 0.00 ? 67 SER A HB3 2 ATOM 2534 H HG . SER A 1 67 ? 3.748 6.254 8.640 1.00 0.00 ? 67 SER A HG 2 ATOM 2535 N N . HIS A 1 68 ? 3.469 5.612 3.831 1.00 0.00 ? 68 HIS A N 2 ATOM 2536 C CA . HIS A 1 68 ? 3.059 5.086 2.534 1.00 0.00 ? 68 HIS A CA 2 ATOM 2537 C C . HIS A 1 68 ? 4.096 4.105 1.993 1.00 0.00 ? 68 HIS A C 2 ATOM 2538 O O . HIS A 1 68 ? 3.767 3.199 1.228 1.00 0.00 ? 68 HIS A O 2 ATOM 2539 C CB . HIS A 1 68 ? 2.854 6.228 1.538 1.00 0.00 ? 68 HIS A CB 2 ATOM 2540 C CG . HIS A 1 68 ? 1.477 6.816 1.577 1.00 0.00 ? 68 HIS A CG 2 ATOM 2541 N ND1 . HIS A 1 68 ? 0.339 6.083 1.314 1.00 0.00 ? 68 HIS A ND1 2 ATOM 2542 C CD2 . HIS A 1 68 ? 1.058 8.073 1.851 1.00 0.00 ? 68 HIS A CD2 2 ATOM 2543 C CE1 . HIS A 1 68 ? -0.720 6.865 1.423 1.00 0.00 ? 68 HIS A CE1 2 ATOM 2544 N NE2 . HIS A 1 68 ? -0.311 8.078 1.749 1.00 0.00 ? 68 HIS A NE2 2 ATOM 2545 H H . HIS A 1 68 ? 3.290 6.551 4.044 1.00 0.00 ? 68 HIS A H 2 ATOM 2546 H HA . HIS A 1 68 ? 2.124 4.565 2.668 1.00 0.00 ? 68 HIS A HA 2 ATOM 2547 H HB2 . HIS A 1 68 ? 3.557 7.018 1.757 1.00 0.00 ? 68 HIS A HB2 2 ATOM 2548 H HB3 . HIS A 1 68 ? 3.032 5.862 0.538 1.00 0.00 ? 68 HIS A HB3 2 ATOM 2549 H HD1 . HIS A 1 68 ? 0.312 5.132 1.080 1.00 0.00 ? 68 HIS A HD1 2 ATOM 2550 H HD2 . HIS A 1 68 ? 1.684 8.918 2.104 1.00 0.00 ? 68 HIS A HD2 2 ATOM 2551 H HE1 . HIS A 1 68 ? -1.746 6.565 1.272 1.00 0.00 ? 68 HIS A HE1 2 ATOM 2552 H HE2 . HIS A 1 68 ? -0.885 8.870 1.809 1.00 0.00 ? 68 HIS A HE2 2 ATOM 2553 N N . MET A 1 69 ? 5.348 4.293 2.397 1.00 0.00 ? 69 MET A N 2 ATOM 2554 C CA . MET A 1 69 ? 6.432 3.424 1.953 1.00 0.00 ? 69 MET A CA 2 ATOM 2555 C C . MET A 1 69 ? 6.720 2.342 2.989 1.00 0.00 ? 69 MET A C 2 ATOM 2556 O O . MET A 1 69 ? 6.953 1.183 2.643 1.00 0.00 ? 69 MET A O 2 ATOM 2557 C CB . MET A 1 69 ? 7.696 4.244 1.690 1.00 0.00 ? 69 MET A CB 2 ATOM 2558 C CG . MET A 1 69 ? 7.726 4.891 0.315 1.00 0.00 ? 69 MET A CG 2 ATOM 2559 S SD . MET A 1 69 ? 7.574 3.690 -1.021 1.00 0.00 ? 69 MET A SD 2 ATOM 2560 C CE . MET A 1 69 ? 9.000 2.652 -0.707 1.00 0.00 ? 69 MET A CE 2 ATOM 2561 H H . MET A 1 69 ? 5.549 5.033 3.008 1.00 0.00 ? 69 MET A H 2 ATOM 2562 H HA . MET A 1 69 ? 6.122 2.952 1.033 1.00 0.00 ? 69 MET A HA 2 ATOM 2563 H HB2 . MET A 1 69 ? 7.766 5.024 2.433 1.00 0.00 ? 69 MET A HB2 2 ATOM 2564 H HB3 . MET A 1 69 ? 8.556 3.596 1.778 1.00 0.00 ? 69 MET A HB3 2 ATOM 2565 H HG2 . MET A 1 69 ? 6.908 5.592 0.244 1.00 0.00 ? 69 MET A HG2 2 ATOM 2566 H HG3 . MET A 1 69 ? 8.661 5.419 0.202 1.00 0.00 ? 69 MET A HG3 2 ATOM 2567 H HE1 . MET A 1 69 ? 9.903 3.223 -0.863 1.00 0.00 ? 69 MET A HE1 2 ATOM 2568 H HE2 . MET A 1 69 ? 8.969 2.297 0.312 1.00 0.00 ? 69 MET A HE2 2 ATOM 2569 H HE3 . MET A 1 69 ? 8.986 1.809 -1.383 1.00 0.00 ? 69 MET A HE3 2 ATOM 2570 N N . LYS A 1 70 ? 6.702 2.726 4.260 1.00 0.00 ? 70 LYS A N 2 ATOM 2571 C CA . LYS A 1 70 ? 6.960 1.789 5.347 1.00 0.00 ? 70 LYS A CA 2 ATOM 2572 C C . LYS A 1 70 ? 6.077 0.552 5.220 1.00 0.00 ? 70 LYS A C 2 ATOM 2573 O O . LYS A 1 70 ? 6.495 -0.556 5.555 1.00 0.00 ? 70 LYS A O 2 ATOM 2574 C CB . LYS A 1 70 ? 6.718 2.465 6.699 1.00 0.00 ? 70 LYS A CB 2 ATOM 2575 C CG . LYS A 1 70 ? 5.296 2.309 7.211 1.00 0.00 ? 70 LYS A CG 2 ATOM 2576 C CD . LYS A 1 70 ? 5.151 2.843 8.626 1.00 0.00 ? 70 LYS A CD 2 ATOM 2577 C CE . LYS A 1 70 ? 5.524 1.792 9.660 1.00 0.00 ? 70 LYS A CE 2 ATOM 2578 N NZ . LYS A 1 70 ? 4.429 0.803 9.865 1.00 0.00 ? 70 LYS A NZ 2 ATOM 2579 H H . LYS A 1 70 ? 6.510 3.664 4.473 1.00 0.00 ? 70 LYS A H 2 ATOM 2580 H HA . LYS A 1 70 ? 7.994 1.487 5.286 1.00 0.00 ? 70 LYS A HA 2 ATOM 2581 H HB2 . LYS A 1 70 ? 7.390 2.036 7.428 1.00 0.00 ? 70 LYS A HB2 2 ATOM 2582 H HB3 . LYS A 1 70 ? 6.930 3.520 6.603 1.00 0.00 ? 70 LYS A HB3 2 ATOM 2583 H HG2 . LYS A 1 70 ? 4.627 2.854 6.561 1.00 0.00 ? 70 LYS A HG2 2 ATOM 2584 H HG3 . LYS A 1 70 ? 5.034 1.261 7.203 1.00 0.00 ? 70 LYS A HG3 2 ATOM 2585 H HD2 . LYS A 1 70 ? 5.801 3.697 8.747 1.00 0.00 ? 70 LYS A HD2 2 ATOM 2586 H HD3 . LYS A 1 70 ? 4.125 3.144 8.784 1.00 0.00 ? 70 LYS A HD3 2 ATOM 2587 H HE2 . LYS A 1 70 ? 6.408 1.272 9.323 1.00 0.00 ? 70 LYS A HE2 2 ATOM 2588 H HE3 . LYS A 1 70 ? 5.732 2.286 10.597 1.00 0.00 ? 70 LYS A HE3 2 ATOM 2589 H HZ1 . LYS A 1 70 ? 3.509 1.289 9.888 1.00 0.00 ? 70 LYS A HZ1 2 ATOM 2590 H HZ2 . LYS A 1 70 ? 4.565 0.301 10.765 1.00 0.00 ? 70 LYS A HZ2 2 ATOM 2591 H HZ3 . LYS A 1 70 ? 4.424 0.110 9.090 1.00 0.00 ? 70 LYS A HZ3 2 ATOM 2592 N N . GLN A 1 71 ? 4.857 0.749 4.733 1.00 0.00 ? 71 GLN A N 2 ATOM 2593 C CA . GLN A 1 71 ? 3.916 -0.352 4.561 1.00 0.00 ? 71 GLN A CA 2 ATOM 2594 C C . GLN A 1 71 ? 4.266 -1.179 3.328 1.00 0.00 ? 71 GLN A C 2 ATOM 2595 O O . GLN A 1 71 ? 4.132 -2.404 3.331 1.00 0.00 ? 71 GLN A O 2 ATOM 2596 C CB . GLN A 1 71 ? 2.488 0.183 4.442 1.00 0.00 ? 71 GLN A CB 2 ATOM 2597 C CG . GLN A 1 71 ? 1.796 0.373 5.781 1.00 0.00 ? 71 GLN A CG 2 ATOM 2598 C CD . GLN A 1 71 ? 1.736 -0.906 6.593 1.00 0.00 ? 71 GLN A CD 2 ATOM 2599 O OE1 . GLN A 1 71 ? 1.262 -1.937 6.115 1.00 0.00 ? 71 GLN A OE1 2 ATOM 2600 N NE2 . GLN A 1 71 ? 2.217 -0.846 7.830 1.00 0.00 ? 71 GLN A NE2 2 ATOM 2601 H H . GLN A 1 71 ? 4.582 1.656 4.483 1.00 0.00 ? 71 GLN A H 2 ATOM 2602 H HA . GLN A 1 71 ? 3.982 -0.983 5.433 1.00 0.00 ? 71 GLN A HA 2 ATOM 2603 H HB2 . GLN A 1 71 ? 2.515 1.137 3.936 1.00 0.00 ? 71 GLN A HB2 2 ATOM 2604 H HB3 . GLN A 1 71 ? 1.904 -0.510 3.854 1.00 0.00 ? 71 GLN A HB3 2 ATOM 2605 H HG2 . GLN A 1 71 ? 2.335 1.116 6.349 1.00 0.00 ? 71 GLN A HG2 2 ATOM 2606 H HG3 . GLN A 1 71 ? 0.788 0.718 5.605 1.00 0.00 ? 71 GLN A HG3 2 ATOM 2607 H HE21 . GLN A 1 71 ? 2.578 0.010 8.144 1.00 0.00 ? 71 GLN A HE21 2 ATOM 2608 H HE22 . GLN A 1 71 ? 2.191 -1.657 8.377 1.00 0.00 ? 71 GLN A HE22 2 ATOM 2609 N N . LEU A 1 72 ? 4.714 -0.504 2.276 1.00 0.00 ? 72 LEU A N 2 ATOM 2610 C CA . LEU A 1 72 ? 5.084 -1.177 1.035 1.00 0.00 ? 72 LEU A CA 2 ATOM 2611 C C . LEU A 1 72 ? 6.202 -2.186 1.275 1.00 0.00 ? 72 LEU A C 2 ATOM 2612 O O . LEU A 1 72 ? 6.085 -3.357 0.911 1.00 0.00 ? 72 LEU A O 2 ATOM 2613 C CB . LEU A 1 72 ? 5.522 -0.152 -0.013 1.00 0.00 ? 72 LEU A CB 2 ATOM 2614 C CG . LEU A 1 72 ? 6.252 -0.712 -1.234 1.00 0.00 ? 72 LEU A CG 2 ATOM 2615 C CD1 . LEU A 1 72 ? 5.449 -1.837 -1.867 1.00 0.00 ? 72 LEU A CD1 2 ATOM 2616 C CD2 . LEU A 1 72 ? 6.518 0.391 -2.248 1.00 0.00 ? 72 LEU A CD2 2 ATOM 2617 H H . LEU A 1 72 ? 4.800 0.471 2.334 1.00 0.00 ? 72 LEU A H 2 ATOM 2618 H HA . LEU A 1 72 ? 4.213 -1.702 0.672 1.00 0.00 ? 72 LEU A HA 2 ATOM 2619 H HB2 . LEU A 1 72 ? 4.640 0.362 -0.362 1.00 0.00 ? 72 LEU A HB2 2 ATOM 2620 H HB3 . LEU A 1 72 ? 6.180 0.555 0.472 1.00 0.00 ? 72 LEU A HB3 2 ATOM 2621 H HG . LEU A 1 72 ? 7.205 -1.117 -0.922 1.00 0.00 ? 72 LEU A HG 2 ATOM 2622 H HD11 . LEU A 1 72 ? 4.494 -1.457 -2.196 1.00 0.00 ? 72 LEU A HD11 2 ATOM 2623 H HD12 . LEU A 1 72 ? 5.294 -2.621 -1.140 1.00 0.00 ? 72 LEU A HD12 2 ATOM 2624 H HD13 . LEU A 1 72 ? 5.991 -2.234 -2.713 1.00 0.00 ? 72 LEU A HD13 2 ATOM 2625 H HD21 . LEU A 1 72 ? 5.634 0.548 -2.849 1.00 0.00 ? 72 LEU A HD21 2 ATOM 2626 H HD22 . LEU A 1 72 ? 7.341 0.103 -2.886 1.00 0.00 ? 72 LEU A HD22 2 ATOM 2627 H HD23 . LEU A 1 72 ? 6.767 1.305 -1.729 1.00 0.00 ? 72 LEU A HD23 2 ATOM 2628 N N . LEU A 1 73 ? 7.285 -1.725 1.892 1.00 0.00 ? 73 LEU A N 2 ATOM 2629 C CA . LEU A 1 73 ? 8.425 -2.588 2.183 1.00 0.00 ? 73 LEU A CA 2 ATOM 2630 C C . LEU A 1 73 ? 8.003 -3.776 3.041 1.00 0.00 ? 73 LEU A C 2 ATOM 2631 O O . LEU A 1 73 ? 8.478 -4.896 2.848 1.00 0.00 ? 73 LEU A O 2 ATOM 2632 C CB . LEU A 1 73 ? 9.522 -1.794 2.895 1.00 0.00 ? 73 LEU A CB 2 ATOM 2633 C CG . LEU A 1 73 ? 9.836 -0.415 2.315 1.00 0.00 ? 73 LEU A CG 2 ATOM 2634 C CD1 . LEU A 1 73 ? 11.009 0.218 3.048 1.00 0.00 ? 73 LEU A CD1 2 ATOM 2635 C CD2 . LEU A 1 73 ? 10.127 -0.516 0.825 1.00 0.00 ? 73 LEU A CD2 2 ATOM 2636 H H . LEU A 1 73 ? 7.320 -0.783 2.158 1.00 0.00 ? 73 LEU A H 2 ATOM 2637 H HA . LEU A 1 73 ? 8.810 -2.956 1.244 1.00 0.00 ? 73 LEU A HA 2 ATOM 2638 H HB2 . LEU A 1 73 ? 9.219 -1.660 3.922 1.00 0.00 ? 73 LEU A HB2 2 ATOM 2639 H HB3 . LEU A 1 73 ? 10.428 -2.382 2.863 1.00 0.00 ? 73 LEU A HB3 2 ATOM 2640 H HG . LEU A 1 73 ? 8.976 0.228 2.446 1.00 0.00 ? 73 LEU A HG 2 ATOM 2641 H HD11 . LEU A 1 73 ? 10.746 0.371 4.083 1.00 0.00 ? 73 LEU A HD11 2 ATOM 2642 H HD12 . LEU A 1 73 ? 11.248 1.167 2.592 1.00 0.00 ? 73 LEU A HD12 2 ATOM 2643 H HD13 . LEU A 1 73 ? 11.866 -0.436 2.986 1.00 0.00 ? 73 LEU A HD13 2 ATOM 2644 H HD21 . LEU A 1 73 ? 9.421 -1.193 0.366 1.00 0.00 ? 73 LEU A HD21 2 ATOM 2645 H HD22 . LEU A 1 73 ? 11.130 -0.889 0.679 1.00 0.00 ? 73 LEU A HD22 2 ATOM 2646 H HD23 . LEU A 1 73 ? 10.036 0.460 0.373 1.00 0.00 ? 73 LEU A HD23 2 ATOM 2647 N N . LEU A 1 74 ? 7.106 -3.526 3.989 1.00 0.00 ? 74 LEU A N 2 ATOM 2648 C CA . LEU A 1 74 ? 6.617 -4.576 4.876 1.00 0.00 ? 74 LEU A CA 2 ATOM 2649 C C . LEU A 1 74 ? 5.819 -5.618 4.099 1.00 0.00 ? 74 LEU A C 2 ATOM 2650 O O . LEU A 1 74 ? 6.122 -6.810 4.149 1.00 0.00 ? 74 LEU A O 2 ATOM 2651 C CB . LEU A 1 74 ? 5.749 -3.973 5.982 1.00 0.00 ? 74 LEU A CB 2 ATOM 2652 C CG . LEU A 1 74 ? 6.485 -3.540 7.251 1.00 0.00 ? 74 LEU A CG 2 ATOM 2653 C CD1 . LEU A 1 74 ? 5.565 -2.728 8.150 1.00 0.00 ? 74 LEU A CD1 2 ATOM 2654 C CD2 . LEU A 1 74 ? 7.026 -4.752 7.994 1.00 0.00 ? 74 LEU A CD2 2 ATOM 2655 H H . LEU A 1 74 ? 6.763 -2.615 4.095 1.00 0.00 ? 74 LEU A H 2 ATOM 2656 H HA . LEU A 1 74 ? 7.474 -5.057 5.324 1.00 0.00 ? 74 LEU A HA 2 ATOM 2657 H HB2 . LEU A 1 74 ? 5.251 -3.106 5.576 1.00 0.00 ? 74 LEU A HB2 2 ATOM 2658 H HB3 . LEU A 1 74 ? 5.011 -4.711 6.262 1.00 0.00 ? 74 LEU A HB3 2 ATOM 2659 H HG . LEU A 1 74 ? 7.322 -2.912 6.978 1.00 0.00 ? 74 LEU A HG 2 ATOM 2660 H HD11 . LEU A 1 74 ? 6.051 -2.553 9.098 1.00 0.00 ? 74 LEU A HD11 2 ATOM 2661 H HD12 . LEU A 1 74 ? 4.647 -3.274 8.312 1.00 0.00 ? 74 LEU A HD12 2 ATOM 2662 H HD13 . LEU A 1 74 ? 5.343 -1.782 7.678 1.00 0.00 ? 74 LEU A HD13 2 ATOM 2663 H HD21 . LEU A 1 74 ? 7.485 -5.430 7.289 1.00 0.00 ? 74 LEU A HD21 2 ATOM 2664 H HD22 . LEU A 1 74 ? 6.216 -5.255 8.501 1.00 0.00 ? 74 LEU A HD22 2 ATOM 2665 H HD23 . LEU A 1 74 ? 7.761 -4.432 8.717 1.00 0.00 ? 74 LEU A HD23 2 ATOM 2666 N N . ILE A 1 75 ? 4.800 -5.159 3.380 1.00 0.00 ? 75 ILE A N 2 ATOM 2667 C CA . ILE A 1 75 ? 3.960 -6.051 2.589 1.00 0.00 ? 75 ILE A CA 2 ATOM 2668 C C . ILE A 1 75 ? 4.792 -6.843 1.586 1.00 0.00 ? 75 ILE A C 2 ATOM 2669 O O . ILE A 1 75 ? 4.623 -8.054 1.444 1.00 0.00 ? 75 ILE A O 2 ATOM 2670 C CB . ILE A 1 75 ? 2.868 -5.273 1.832 1.00 0.00 ? 75 ILE A CB 2 ATOM 2671 C CG1 . ILE A 1 75 ? 1.944 -4.557 2.820 1.00 0.00 ? 75 ILE A CG1 2 ATOM 2672 C CG2 . ILE A 1 75 ? 2.072 -6.212 0.938 1.00 0.00 ? 75 ILE A CG2 2 ATOM 2673 C CD1 . ILE A 1 75 ? 1.159 -3.423 2.199 1.00 0.00 ? 75 ILE A CD1 2 ATOM 2674 H H . ILE A 1 75 ? 4.608 -4.198 3.380 1.00 0.00 ? 75 ILE A H 2 ATOM 2675 H HA . ILE A 1 75 ? 3.478 -6.742 3.266 1.00 0.00 ? 75 ILE A HA 2 ATOM 2676 H HB . ILE A 1 75 ? 3.350 -4.539 1.205 1.00 0.00 ? 75 ILE A HB 2 ATOM 2677 H HG12 . ILE A 1 75 ? 1.239 -5.267 3.222 1.00 0.00 ? 75 ILE A HG12 2 ATOM 2678 H HG13 . ILE A 1 75 ? 2.537 -4.149 3.625 1.00 0.00 ? 75 ILE A HG13 2 ATOM 2679 H HG21 . ILE A 1 75 ? 1.016 -6.059 1.106 1.00 0.00 ? 75 ILE A HG21 2 ATOM 2680 H HG22 . ILE A 1 75 ? 2.304 -6.006 -0.096 1.00 0.00 ? 75 ILE A HG22 2 ATOM 2681 H HG23 . ILE A 1 75 ? 2.330 -7.234 1.169 1.00 0.00 ? 75 ILE A HG23 2 ATOM 2682 H HD11 . ILE A 1 75 ? 0.591 -3.795 1.359 1.00 0.00 ? 75 ILE A HD11 2 ATOM 2683 H HD12 . ILE A 1 75 ? 0.486 -3.006 2.933 1.00 0.00 ? 75 ILE A HD12 2 ATOM 2684 H HD13 . ILE A 1 75 ? 1.841 -2.657 1.860 1.00 0.00 ? 75 ILE A HD13 2 ATOM 2685 N N . GLN A 1 76 ? 5.692 -6.151 0.895 1.00 0.00 ? 76 GLN A N 2 ATOM 2686 C CA . GLN A 1 76 ? 6.551 -6.791 -0.094 1.00 0.00 ? 76 GLN A CA 2 ATOM 2687 C C . GLN A 1 76 ? 7.243 -8.015 0.496 1.00 0.00 ? 76 GLN A C 2 ATOM 2688 O O . GLN A 1 76 ? 7.157 -9.113 -0.053 1.00 0.00 ? 76 GLN A O 2 ATOM 2689 C CB . GLN A 1 76 ? 7.595 -5.800 -0.611 1.00 0.00 ? 76 GLN A CB 2 ATOM 2690 C CG . GLN A 1 76 ? 7.129 -4.998 -1.816 1.00 0.00 ? 76 GLN A CG 2 ATOM 2691 C CD . GLN A 1 76 ? 8.280 -4.511 -2.674 1.00 0.00 ? 76 GLN A CD 2 ATOM 2692 O OE1 . GLN A 1 76 ? 8.856 -5.272 -3.451 1.00 0.00 ? 76 GLN A OE1 2 ATOM 2693 N NE2 . GLN A 1 76 ? 8.622 -3.235 -2.536 1.00 0.00 ? 76 GLN A NE2 2 ATOM 2694 H H . GLN A 1 76 ? 5.779 -5.189 1.053 1.00 0.00 ? 76 GLN A H 2 ATOM 2695 H HA . GLN A 1 76 ? 5.929 -7.107 -0.918 1.00 0.00 ? 76 GLN A HA 2 ATOM 2696 H HB2 . GLN A 1 76 ? 7.841 -5.109 0.181 1.00 0.00 ? 76 GLN A HB2 2 ATOM 2697 H HB3 . GLN A 1 76 ? 8.484 -6.345 -0.891 1.00 0.00 ? 76 GLN A HB3 2 ATOM 2698 H HG2 . GLN A 1 76 ? 6.489 -5.622 -2.422 1.00 0.00 ? 76 GLN A HG2 2 ATOM 2699 H HG3 . GLN A 1 76 ? 6.570 -4.142 -1.468 1.00 0.00 ? 76 GLN A HG3 2 ATOM 2700 H HE21 . GLN A 1 76 ? 8.120 -2.688 -1.896 1.00 0.00 ? 76 GLN A HE21 2 ATOM 2701 H HE22 . GLN A 1 76 ? 9.364 -2.894 -3.077 1.00 0.00 ? 76 GLN A HE22 2 ATOM 2702 N N . GLU A 1 77 ? 7.930 -7.817 1.617 1.00 0.00 ? 77 GLU A N 2 ATOM 2703 C CA . GLU A 1 77 ? 8.638 -8.906 2.281 1.00 0.00 ? 77 GLU A CA 2 ATOM 2704 C C . GLU A 1 77 ? 7.661 -9.974 2.766 1.00 0.00 ? 77 GLU A C 2 ATOM 2705 O O . GLU A 1 77 ? 7.990 -11.160 2.800 1.00 0.00 ? 77 GLU A O 2 ATOM 2706 C CB . GLU A 1 77 ? 9.452 -8.370 3.460 1.00 0.00 ? 77 GLU A CB 2 ATOM 2707 C CG . GLU A 1 77 ? 8.612 -7.657 4.506 1.00 0.00 ? 77 GLU A CG 2 ATOM 2708 C CD . GLU A 1 77 ? 9.353 -7.459 5.814 1.00 0.00 ? 77 GLU A CD 2 ATOM 2709 O OE1 . GLU A 1 77 ? 9.754 -8.471 6.427 1.00 0.00 ? 77 GLU A OE1 2 ATOM 2710 O OE2 . GLU A 1 77 ? 9.531 -6.294 6.225 1.00 0.00 ? 77 GLU A OE2 2 ATOM 2711 H H . GLU A 1 77 ? 7.961 -6.919 2.007 1.00 0.00 ? 77 GLU A H 2 ATOM 2712 H HA . GLU A 1 77 ? 9.311 -9.350 1.563 1.00 0.00 ? 77 GLU A HA 2 ATOM 2713 H HB2 . GLU A 1 77 ? 9.959 -9.196 3.937 1.00 0.00 ? 77 GLU A HB2 2 ATOM 2714 H HB3 . GLU A 1 77 ? 10.189 -7.675 3.086 1.00 0.00 ? 77 GLU A HB3 2 ATOM 2715 H HG2 . GLU A 1 77 ? 8.326 -6.690 4.122 1.00 0.00 ? 77 GLU A HG2 2 ATOM 2716 H HG3 . GLU A 1 77 ? 7.724 -8.243 4.697 1.00 0.00 ? 77 GLU A HG3 2 ATOM 2717 N N . ARG A 1 78 ? 6.461 -9.544 3.140 1.00 0.00 ? 78 ARG A N 2 ATOM 2718 C CA . ARG A 1 78 ? 5.438 -10.462 3.625 1.00 0.00 ? 78 ARG A CA 2 ATOM 2719 C C . ARG A 1 78 ? 4.851 -11.278 2.477 1.00 0.00 ? 78 ARG A C 2 ATOM 2720 O O . ARG A 1 78 ? 4.250 -12.330 2.694 1.00 0.00 ? 78 ARG A O 2 ATOM 2721 C CB . ARG A 1 78 ? 4.325 -9.689 4.336 1.00 0.00 ? 78 ARG A CB 2 ATOM 2722 C CG . ARG A 1 78 ? 4.767 -9.046 5.640 1.00 0.00 ? 78 ARG A CG 2 ATOM 2723 C CD . ARG A 1 78 ? 4.950 -10.083 6.738 1.00 0.00 ? 78 ARG A CD 2 ATOM 2724 N NE . ARG A 1 78 ? 5.681 -9.544 7.882 1.00 0.00 ? 78 ARG A NE 2 ATOM 2725 C CZ . ARG A 1 78 ? 6.205 -10.300 8.841 1.00 0.00 ? 78 ARG A CZ 2 ATOM 2726 N NH1 . ARG A 1 78 ? 6.079 -11.619 8.793 1.00 0.00 ? 78 ARG A NH1 2 ATOM 2727 N NH2 . ARG A 1 78 ? 6.856 -9.736 9.850 1.00 0.00 ? 78 ARG A NH2 2 ATOM 2728 H H . ARG A 1 78 ? 6.259 -8.586 3.090 1.00 0.00 ? 78 ARG A H 2 ATOM 2729 H HA . ARG A 1 78 ? 5.902 -11.135 4.329 1.00 0.00 ? 78 ARG A HA 2 ATOM 2730 H HB2 . ARG A 1 78 ? 3.967 -8.910 3.679 1.00 0.00 ? 78 ARG A HB2 2 ATOM 2731 H HB3 . ARG A 1 78 ? 3.513 -10.368 4.551 1.00 0.00 ? 78 ARG A HB3 2 ATOM 2732 H HG2 . ARG A 1 78 ? 5.707 -8.538 5.480 1.00 0.00 ? 78 ARG A HG2 2 ATOM 2733 H HG3 . ARG A 1 78 ? 4.018 -8.333 5.951 1.00 0.00 ? 78 ARG A HG3 2 ATOM 2734 H HD2 . ARG A 1 78 ? 3.977 -10.413 7.068 1.00 0.00 ? 78 ARG A HD2 2 ATOM 2735 H HD3 . ARG A 1 78 ? 5.497 -10.921 6.335 1.00 0.00 ? 78 ARG A HD3 2 ATOM 2736 H HE . ARG A 1 78 ? 5.785 -8.572 7.937 1.00 0.00 ? 78 ARG A HE 2 ATOM 2737 H HH11 . ARG A 1 78 ? 5.590 -12.047 8.033 1.00 0.00 ? 78 ARG A HH11 2 ATOM 2738 H HH12 . ARG A 1 78 ? 6.475 -12.186 9.516 1.00 0.00 ? 78 ARG A HH12 2 ATOM 2739 H HH21 . ARG A 1 78 ? 6.953 -8.742 9.890 1.00 0.00 ? 78 ARG A HH21 2 ATOM 2740 H HH22 . ARG A 1 78 ? 7.250 -10.306 10.571 1.00 0.00 ? 78 ARG A HH22 2 ATOM 2741 N N . TRP A 1 79 ? 5.030 -10.786 1.256 1.00 0.00 ? 79 TRP A N 2 ATOM 2742 C CA . TRP A 1 79 ? 4.519 -11.469 0.074 1.00 0.00 ? 79 TRP A CA 2 ATOM 2743 C C . TRP A 1 79 ? 5.452 -12.598 -0.349 1.00 0.00 ? 79 TRP A C 2 ATOM 2744 O O . TRP A 1 79 ? 5.052 -13.760 -0.407 1.00 0.00 ? 79 TRP A O 2 ATOM 2745 C CB . TRP A 1 79 ? 4.342 -10.478 -1.077 1.00 0.00 ? 79 TRP A CB 2 ATOM 2746 C CG . TRP A 1 79 ? 3.673 -11.075 -2.278 1.00 0.00 ? 79 TRP A CG 2 ATOM 2747 C CD1 . TRP A 1 79 ? 2.797 -12.123 -2.292 1.00 0.00 ? 79 TRP A CD1 2 ATOM 2748 C CD2 . TRP A 1 79 ? 3.828 -10.660 -3.640 1.00 0.00 ? 79 TRP A CD2 2 ATOM 2749 N NE1 . TRP A 1 79 ? 2.398 -12.384 -3.581 1.00 0.00 ? 79 TRP A NE1 2 ATOM 2750 C CE2 . TRP A 1 79 ? 3.015 -11.501 -4.426 1.00 0.00 ? 79 TRP A CE2 2 ATOM 2751 C CE3 . TRP A 1 79 ? 4.572 -9.660 -4.271 1.00 0.00 ? 79 TRP A CE3 2 ATOM 2752 C CZ2 . TRP A 1 79 ? 2.929 -11.370 -5.809 1.00 0.00 ? 79 TRP A CZ2 2 ATOM 2753 C CZ3 . TRP A 1 79 ? 4.485 -9.532 -5.645 1.00 0.00 ? 79 TRP A CZ3 2 ATOM 2754 C CH2 . TRP A 1 79 ? 3.668 -10.382 -6.401 1.00 0.00 ? 79 TRP A CH2 2 ATOM 2755 H H . TRP A 1 79 ? 5.518 -9.943 1.147 1.00 0.00 ? 79 TRP A H 2 ATOM 2756 H HA . TRP A 1 79 ? 3.556 -11.890 0.326 1.00 0.00 ? 79 TRP A HA 2 ATOM 2757 H HB2 . TRP A 1 79 ? 3.741 -9.647 -0.740 1.00 0.00 ? 79 TRP A HB2 2 ATOM 2758 H HB3 . TRP A 1 79 ? 5.313 -10.115 -1.382 1.00 0.00 ? 79 TRP A HB3 2 ATOM 2759 H HD1 . TRP A 1 79 ? 2.476 -12.658 -1.412 1.00 0.00 ? 79 TRP A HD1 2 ATOM 2760 H HE1 . TRP A 1 79 ? 1.772 -13.089 -3.850 1.00 0.00 ? 79 TRP A HE1 2 ATOM 2761 H HE3 . TRP A 1 79 ? 5.207 -8.995 -3.705 1.00 0.00 ? 79 TRP A HE3 2 ATOM 2762 H HZ2 . TRP A 1 79 ? 2.303 -12.017 -6.407 1.00 0.00 ? 79 TRP A HZ2 2 ATOM 2763 H HZ3 . TRP A 1 79 ? 5.053 -8.765 -6.150 1.00 0.00 ? 79 TRP A HZ3 2 ATOM 2764 H HH2 . TRP A 1 79 ? 3.631 -10.246 -7.471 1.00 0.00 ? 79 TRP A HH2 2 ATOM 2765 N N . LYS A 1 80 ? 6.700 -12.248 -0.645 1.00 0.00 ? 80 LYS A N 2 ATOM 2766 C CA . LYS A 1 80 ? 7.692 -13.232 -1.062 1.00 0.00 ? 80 LYS A CA 2 ATOM 2767 C C . LYS A 1 80 ? 7.697 -14.432 -0.120 1.00 0.00 ? 80 LYS A C 2 ATOM 2768 O O . LYS A 1 80 ? 7.996 -15.554 -0.531 1.00 0.00 ? 80 LYS A O 2 ATOM 2769 C CB . LYS A 1 80 ? 9.084 -12.597 -1.103 1.00 0.00 ? 80 LYS A CB 2 ATOM 2770 C CG . LYS A 1 80 ? 9.576 -12.122 0.254 1.00 0.00 ? 80 LYS A CG 2 ATOM 2771 C CD . LYS A 1 80 ? 11.085 -11.946 0.269 1.00 0.00 ? 80 LYS A CD 2 ATOM 2772 C CE . LYS A 1 80 ? 11.509 -10.853 1.238 1.00 0.00 ? 80 LYS A CE 2 ATOM 2773 N NZ . LYS A 1 80 ? 11.536 -9.514 0.588 1.00 0.00 ? 80 LYS A NZ 2 ATOM 2774 H H . LYS A 1 80 ? 6.960 -11.305 -0.580 1.00 0.00 ? 80 LYS A H 2 ATOM 2775 H HA . LYS A 1 80 ? 7.430 -13.568 -2.053 1.00 0.00 ? 80 LYS A HA 2 ATOM 2776 H HB2 . LYS A 1 80 ? 9.787 -13.323 -1.483 1.00 0.00 ? 80 LYS A HB2 2 ATOM 2777 H HB3 . LYS A 1 80 ? 9.059 -11.748 -1.771 1.00 0.00 ? 80 LYS A HB3 2 ATOM 2778 H HG2 . LYS A 1 80 ? 9.112 -11.174 0.483 1.00 0.00 ? 80 LYS A HG2 2 ATOM 2779 H HG3 . LYS A 1 80 ? 9.300 -12.851 1.002 1.00 0.00 ? 80 LYS A HG3 2 ATOM 2780 H HD2 . LYS A 1 80 ? 11.545 -12.875 0.569 1.00 0.00 ? 80 LYS A HD2 2 ATOM 2781 H HD3 . LYS A 1 80 ? 11.418 -11.682 -0.725 1.00 0.00 ? 80 LYS A HD3 2 ATOM 2782 H HE2 . LYS A 1 80 ? 10.812 -10.830 2.062 1.00 0.00 ? 80 LYS A HE2 2 ATOM 2783 H HE3 . LYS A 1 80 ? 12.497 -11.083 1.610 1.00 0.00 ? 80 LYS A HE3 2 ATOM 2784 H HZ1 . LYS A 1 80 ? 10.631 -9.333 0.107 1.00 0.00 ? 80 LYS A HZ1 2 ATOM 2785 H HZ2 . LYS A 1 80 ? 12.302 -9.472 -0.114 1.00 0.00 ? 80 LYS A HZ2 2 ATOM 2786 H HZ3 . LYS A 1 80 ? 11.692 -8.773 1.300 1.00 0.00 ? 80 LYS A HZ3 2 ATOM 2787 N N . ARG A 1 81 ? 7.364 -14.189 1.143 1.00 0.00 ? 81 ARG A N 2 ATOM 2788 C CA . ARG A 1 81 ? 7.330 -15.251 2.142 1.00 0.00 ? 81 ARG A CA 2 ATOM 2789 C C . ARG A 1 81 ? 6.092 -16.125 1.964 1.00 0.00 ? 81 ARG A C 2 ATOM 2790 O O . ARG A 1 81 ? 6.163 -17.349 2.079 1.00 0.00 ? 81 ARG A O 2 ATOM 2791 C CB . ARG A 1 81 ? 7.348 -14.655 3.551 1.00 0.00 ? 81 ARG A CB 2 ATOM 2792 C CG . ARG A 1 81 ? 8.701 -14.094 3.958 1.00 0.00 ? 81 ARG A CG 2 ATOM 2793 C CD . ARG A 1 81 ? 8.601 -13.262 5.226 1.00 0.00 ? 81 ARG A CD 2 ATOM 2794 N NE . ARG A 1 81 ? 9.698 -12.305 5.342 1.00 0.00 ? 81 ARG A NE 2 ATOM 2795 C CZ . ARG A 1 81 ? 10.954 -12.655 5.597 1.00 0.00 ? 81 ARG A CZ 2 ATOM 2796 N NH1 . ARG A 1 81 ? 11.269 -13.932 5.762 1.00 0.00 ? 81 ARG A NH1 2 ATOM 2797 N NH2 . ARG A 1 81 ? 11.897 -11.726 5.687 1.00 0.00 ? 81 ARG A NH2 2 ATOM 2798 H H . ARG A 1 81 ? 7.136 -13.274 1.410 1.00 0.00 ? 81 ARG A H 2 ATOM 2799 H HA . ARG A 1 81 ? 8.210 -15.861 2.007 1.00 0.00 ? 81 ARG A HA 2 ATOM 2800 H HB2 . ARG A 1 81 ? 6.623 -13.856 3.601 1.00 0.00 ? 81 ARG A HB2 2 ATOM 2801 H HB3 . ARG A 1 81 ? 7.075 -15.424 4.257 1.00 0.00 ? 81 ARG A HB3 2 ATOM 2802 H HG2 . ARG A 1 81 ? 9.383 -14.914 4.131 1.00 0.00 ? 81 ARG A HG2 2 ATOM 2803 H HG3 . ARG A 1 81 ? 9.078 -13.473 3.159 1.00 0.00 ? 81 ARG A HG3 2 ATOM 2804 H HD2 . ARG A 1 81 ? 7.665 -12.722 5.214 1.00 0.00 ? 81 ARG A HD2 2 ATOM 2805 H HD3 . ARG A 1 81 ? 8.622 -13.925 6.078 1.00 0.00 ? 81 ARG A HD3 2 ATOM 2806 H HE . ARG A 1 81 ? 9.487 -11.356 5.223 1.00 0.00 ? 81 ARG A HE 2 ATOM 2807 H HH11 . ARG A 1 81 ? 10.561 -14.634 5.694 1.00 0.00 ? 81 ARG A HH11 2 ATOM 2808 H HH12 . ARG A 1 81 ? 12.216 -14.193 5.953 1.00 0.00 ? 81 ARG A HH12 2 ATOM 2809 H HH21 . ARG A 1 81 ? 11.663 -10.762 5.563 1.00 0.00 ? 81 ARG A HH21 2 ATOM 2810 H HH22 . ARG A 1 81 ? 12.842 -11.990 5.880 1.00 0.00 ? 81 ARG A HH22 2 ATOM 2811 N N . ALA A 1 82 ? 4.960 -15.489 1.683 1.00 0.00 ? 82 ALA A N 2 ATOM 2812 C CA . ALA A 1 82 ? 3.708 -16.209 1.488 1.00 0.00 ? 82 ALA A CA 2 ATOM 2813 C C . ALA A 1 82 ? 3.766 -17.084 0.241 1.00 0.00 ? 82 ALA A C 2 ATOM 2814 O O . ALA A 1 82 ? 3.241 -18.197 0.225 1.00 0.00 ? 82 ALA A O 2 ATOM 2815 C CB . ALA A 1 82 ? 2.546 -15.231 1.396 1.00 0.00 ? 82 ALA A CB 2 ATOM 2816 H H . ALA A 1 82 ? 4.967 -14.513 1.605 1.00 0.00 ? 82 ALA A H 2 ATOM 2817 H HA . ALA A 1 82 ? 3.547 -16.840 2.351 1.00 0.00 ? 82 ALA A HA 2 ATOM 2818 H HB1 . ALA A 1 82 ? 2.353 -14.999 0.358 1.00 0.00 ? 82 ALA A HB1 2 ATOM 2819 H HB2 . ALA A 1 82 ? 1.665 -15.676 1.835 1.00 0.00 ? 82 ALA A HB2 2 ATOM 2820 H HB3 . ALA A 1 82 ? 2.795 -14.325 1.927 1.00 0.00 ? 82 ALA A HB3 2 ATOM 2821 N N . LYS A 1 83 ? 4.407 -16.573 -0.805 1.00 0.00 ? 83 LYS A N 2 ATOM 2822 C CA . LYS A 1 83 ? 4.535 -17.307 -2.058 1.00 0.00 ? 83 LYS A CA 2 ATOM 2823 C C . LYS A 1 83 ? 4.963 -18.748 -1.803 1.00 0.00 ? 83 LYS A C 2 ATOM 2824 O O . LYS A 1 83 ? 4.479 -19.674 -2.454 1.00 0.00 ? 83 LYS A O 2 ATOM 2825 C CB . LYS A 1 83 ? 5.547 -16.617 -2.976 1.00 0.00 ? 83 LYS A CB 2 ATOM 2826 C CG . LYS A 1 83 ? 5.229 -15.156 -3.243 1.00 0.00 ? 83 LYS A CG 2 ATOM 2827 C CD . LYS A 1 83 ? 4.344 -14.993 -4.467 1.00 0.00 ? 83 LYS A CD 2 ATOM 2828 C CE . LYS A 1 83 ? 5.169 -14.846 -5.736 1.00 0.00 ? 83 LYS A CE 2 ATOM 2829 N NZ . LYS A 1 83 ? 5.736 -13.475 -5.874 1.00 0.00 ? 83 LYS A NZ 2 ATOM 2830 H H . LYS A 1 83 ? 4.804 -15.679 -0.732 1.00 0.00 ? 83 LYS A H 2 ATOM 2831 H HA . LYS A 1 83 ? 3.569 -17.311 -2.541 1.00 0.00 ? 83 LYS A HA 2 ATOM 2832 H HB2 . LYS A 1 83 ? 6.525 -16.675 -2.521 1.00 0.00 ? 83 LYS A HB2 2 ATOM 2833 H HB3 . LYS A 1 83 ? 5.569 -17.138 -3.923 1.00 0.00 ? 83 LYS A HB3 2 ATOM 2834 H HG2 . LYS A 1 83 ? 4.718 -14.746 -2.385 1.00 0.00 ? 83 LYS A HG2 2 ATOM 2835 H HG3 . LYS A 1 83 ? 6.154 -14.620 -3.405 1.00 0.00 ? 83 LYS A HG3 2 ATOM 2836 H HD2 . LYS A 1 83 ? 3.711 -15.863 -4.562 1.00 0.00 ? 83 LYS A HD2 2 ATOM 2837 H HD3 . LYS A 1 83 ? 3.731 -14.111 -4.342 1.00 0.00 ? 83 LYS A HD3 2 ATOM 2838 H HE2 . LYS A 1 83 ? 5.978 -15.559 -5.709 1.00 0.00 ? 83 LYS A HE2 2 ATOM 2839 H HE3 . LYS A 1 83 ? 4.537 -15.051 -6.587 1.00 0.00 ? 83 LYS A HE3 2 ATOM 2840 H HZ1 . LYS A 1 83 ? 6.764 -13.527 -6.021 1.00 0.00 ? 83 LYS A HZ1 2 ATOM 2841 H HZ2 . LYS A 1 83 ? 5.548 -12.923 -5.013 1.00 0.00 ? 83 LYS A HZ2 2 ATOM 2842 H HZ3 . LYS A 1 83 ? 5.304 -12.989 -6.685 1.00 0.00 ? 83 LYS A HZ3 2 ATOM 2843 N N . ARG A 1 84 ? 5.872 -18.931 -0.851 1.00 0.00 ? 84 ARG A N 2 ATOM 2844 C CA . ARG A 1 84 ? 6.365 -20.260 -0.510 1.00 0.00 ? 84 ARG A CA 2 ATOM 2845 C C . ARG A 1 84 ? 5.548 -20.867 0.627 1.00 0.00 ? 84 ARG A C 2 ATOM 2846 O O . ARG A 1 84 ? 5.063 -21.993 0.522 1.00 0.00 ? 84 ARG A O 2 ATOM 2847 C CB . ARG A 1 84 ? 7.841 -20.193 -0.113 1.00 0.00 ? 84 ARG A CB 2 ATOM 2848 C CG . ARG A 1 84 ? 8.271 -21.310 0.824 1.00 0.00 ? 84 ARG A CG 2 ATOM 2849 C CD . ARG A 1 84 ? 8.240 -22.663 0.129 1.00 0.00 ? 84 ARG A CD 2 ATOM 2850 N NE . ARG A 1 84 ? 9.158 -22.716 -1.005 1.00 0.00 ? 84 ARG A NE 2 ATOM 2851 C CZ . ARG A 1 84 ? 9.568 -23.848 -1.566 1.00 0.00 ? 84 ARG A CZ 2 ATOM 2852 N NH1 . ARG A 1 84 ? 9.143 -25.015 -1.101 1.00 0.00 ? 84 ARG A NH1 2 ATOM 2853 N NH2 . ARG A 1 84 ? 10.404 -23.815 -2.596 1.00 0.00 ? 84 ARG A NH2 2 ATOM 2854 H H . ARG A 1 84 ? 6.220 -18.153 -0.367 1.00 0.00 ? 84 ARG A H 2 ATOM 2855 H HA . ARG A 1 84 ? 6.264 -20.886 -1.384 1.00 0.00 ? 84 ARG A HA 2 ATOM 2856 H HB2 . ARG A 1 84 ? 8.445 -20.251 -1.007 1.00 0.00 ? 84 ARG A HB2 2 ATOM 2857 H HB3 . ARG A 1 84 ? 8.027 -19.250 0.377 1.00 0.00 ? 84 ARG A HB3 2 ATOM 2858 H HG2 . ARG A 1 84 ? 9.277 -21.116 1.164 1.00 0.00 ? 84 ARG A HG2 2 ATOM 2859 H HG3 . ARG A 1 84 ? 7.601 -21.335 1.670 1.00 0.00 ? 84 ARG A HG3 2 ATOM 2860 H HD2 . ARG A 1 84 ? 8.519 -23.425 0.842 1.00 0.00 ? 84 ARG A HD2 2 ATOM 2861 H HD3 . ARG A 1 84 ? 7.236 -22.849 -0.222 1.00 0.00 ? 84 ARG A HD3 2 ATOM 2862 H HE . ARG A 1 84 ? 9.484 -21.866 -1.366 1.00 0.00 ? 84 ARG A HE 2 ATOM 2863 H HH11 . ARG A 1 84 ? 8.512 -25.043 -0.325 1.00 0.00 ? 84 ARG A HH11 2 ATOM 2864 H HH12 . ARG A 1 84 ? 9.452 -25.866 -1.525 1.00 0.00 ? 84 ARG A HH12 2 ATOM 2865 H HH21 . ARG A 1 84 ? 10.726 -22.938 -2.950 1.00 0.00 ? 84 ARG A HH21 2 ATOM 2866 H HH22 . ARG A 1 84 ? 10.712 -24.668 -3.018 1.00 0.00 ? 84 ARG A HH22 2 ATOM 2867 N N . GLU A 1 85 ? 5.403 -20.114 1.712 1.00 0.00 ? 85 GLU A N 2 ATOM 2868 C CA . GLU A 1 85 ? 4.646 -20.580 2.869 1.00 0.00 ? 85 GLU A CA 2 ATOM 2869 C C . GLU A 1 85 ? 3.239 -21.007 2.462 1.00 0.00 ? 85 GLU A C 2 ATOM 2870 O O . GLU A 1 85 ? 2.831 -22.143 2.702 1.00 0.00 ? 85 GLU A O 2 ATOM 2871 C CB . GLU A 1 85 ? 4.571 -19.482 3.932 1.00 0.00 ? 85 GLU A CB 2 ATOM 2872 C CG . GLU A 1 85 ? 5.927 -19.073 4.482 1.00 0.00 ? 85 GLU A CG 2 ATOM 2873 C CD . GLU A 1 85 ? 6.475 -20.070 5.484 1.00 0.00 ? 85 GLU A CD 2 ATOM 2874 O OE1 . GLU A 1 85 ? 5.780 -20.349 6.483 1.00 0.00 ? 85 GLU A OE1 2 ATOM 2875 O OE2 . GLU A 1 85 ? 7.599 -20.570 5.270 1.00 0.00 ? 85 GLU A OE2 2 ATOM 2876 H H . GLU A 1 85 ? 5.814 -19.225 1.736 1.00 0.00 ? 85 GLU A H 2 ATOM 2877 H HA . GLU A 1 85 ? 5.163 -21.433 3.281 1.00 0.00 ? 85 GLU A HA 2 ATOM 2878 H HB2 . GLU A 1 85 ? 4.102 -18.610 3.500 1.00 0.00 ? 85 GLU A HB2 2 ATOM 2879 H HB3 . GLU A 1 85 ? 3.965 -19.835 4.754 1.00 0.00 ? 85 GLU A HB3 2 ATOM 2880 H HG2 . GLU A 1 85 ? 6.624 -18.990 3.661 1.00 0.00 ? 85 GLU A HG2 2 ATOM 2881 H HG3 . GLU A 1 85 ? 5.829 -18.113 4.967 1.00 0.00 ? 85 GLU A HG3 2 ATOM 2882 N N . GLU A 1 86 ? 2.502 -20.087 1.846 1.00 0.00 ? 86 GLU A N 2 ATOM 2883 C CA . GLU A 1 86 ? 1.140 -20.369 1.408 1.00 0.00 ? 86 GLU A CA 2 ATOM 2884 C C . GLU A 1 86 ? 1.011 -21.810 0.924 1.00 0.00 ? 86 GLU A C 2 ATOM 2885 O O . GLU A 1 86 ? 0.013 -22.479 1.192 1.00 0.00 ? 86 GLU A O 2 ATOM 2886 C CB . GLU A 1 86 ? 0.731 -19.406 0.291 1.00 0.00 ? 86 GLU A CB 2 ATOM 2887 C CG . GLU A 1 86 ? -0.768 -19.360 0.046 1.00 0.00 ? 86 GLU A CG 2 ATOM 2888 C CD . GLU A 1 86 ? -1.130 -18.593 -1.211 1.00 0.00 ? 86 GLU A CD 2 ATOM 2889 O OE1 . GLU A 1 86 ? -1.022 -19.174 -2.312 1.00 0.00 ? 86 GLU A OE1 2 ATOM 2890 O OE2 . GLU A 1 86 ? -1.521 -17.413 -1.095 1.00 0.00 ? 86 GLU A OE2 2 ATOM 2891 H H . GLU A 1 86 ? 2.883 -19.199 1.683 1.00 0.00 ? 86 GLU A H 2 ATOM 2892 H HA . GLU A 1 86 ? 0.484 -20.225 2.252 1.00 0.00 ? 86 GLU A HA 2 ATOM 2893 H HB2 . GLU A 1 86 ? 1.064 -18.411 0.550 1.00 0.00 ? 86 GLU A HB2 2 ATOM 2894 H HB3 . GLU A 1 86 ? 1.215 -19.710 -0.625 1.00 0.00 ? 86 GLU A HB3 2 ATOM 2895 H HG2 . GLU A 1 86 ? -1.135 -20.370 -0.049 1.00 0.00 ? 86 GLU A HG2 2 ATOM 2896 H HG3 . GLU A 1 86 ? -1.243 -18.883 0.890 1.00 0.00 ? 86 GLU A HG3 2 ATOM 2897 N N . ARG A 1 87 ? 2.027 -22.281 0.208 1.00 0.00 ? 87 ARG A N 2 ATOM 2898 C CA . ARG A 1 87 ? 2.028 -23.642 -0.315 1.00 0.00 ? 87 ARG A CA 2 ATOM 2899 C C . ARG A 1 87 ? 2.135 -24.659 0.817 1.00 0.00 ? 87 ARG A C 2 ATOM 2900 O O . ARG A 1 87 ? 1.348 -25.604 0.893 1.00 0.00 ? 87 ARG A O 2 ATOM 2901 C CB . ARG A 1 87 ? 3.184 -23.833 -1.298 1.00 0.00 ? 87 ARG A CB 2 ATOM 2902 C CG . ARG A 1 87 ? 2.859 -23.389 -2.715 1.00 0.00 ? 87 ARG A CG 2 ATOM 2903 C CD . ARG A 1 87 ? 2.116 -24.472 -3.481 1.00 0.00 ? 87 ARG A CD 2 ATOM 2904 N NE . ARG A 1 87 ? 1.742 -24.034 -4.824 1.00 0.00 ? 87 ARG A NE 2 ATOM 2905 C CZ . ARG A 1 87 ? 1.290 -24.855 -5.765 1.00 0.00 ? 87 ARG A CZ 2 ATOM 2906 N NH1 . ARG A 1 87 ? 1.155 -26.150 -5.511 1.00 0.00 ? 87 ARG A NH1 2 ATOM 2907 N NH2 . ARG A 1 87 ? 0.971 -24.382 -6.963 1.00 0.00 ? 87 ARG A NH2 2 ATOM 2908 H H . ARG A 1 87 ? 2.795 -21.699 0.027 1.00 0.00 ? 87 ARG A H 2 ATOM 2909 H HA . ARG A 1 87 ? 1.095 -23.797 -0.836 1.00 0.00 ? 87 ARG A HA 2 ATOM 2910 H HB2 . ARG A 1 87 ? 4.034 -23.262 -0.952 1.00 0.00 ? 87 ARG A HB2 2 ATOM 2911 H HB3 . ARG A 1 87 ? 3.449 -24.879 -1.324 1.00 0.00 ? 87 ARG A HB3 2 ATOM 2912 H HG2 . ARG A 1 87 ? 2.240 -22.505 -2.672 1.00 0.00 ? 87 ARG A HG2 2 ATOM 2913 H HG3 . ARG A 1 87 ? 3.779 -23.161 -3.231 1.00 0.00 ? 87 ARG A HG3 2 ATOM 2914 H HD2 . ARG A 1 87 ? 2.753 -25.340 -3.560 1.00 0.00 ? 87 ARG A HD2 2 ATOM 2915 H HD3 . ARG A 1 87 ? 1.221 -24.731 -2.935 1.00 0.00 ? 87 ARG A HD3 2 ATOM 2916 H HE . ARG A 1 87 ? 1.834 -23.082 -5.032 1.00 0.00 ? 87 ARG A HE 2 ATOM 2917 H HH11 . ARG A 1 87 ? 1.394 -26.509 -4.610 1.00 0.00 ? 87 ARG A HH11 2 ATOM 2918 H HH12 . ARG A 1 87 ? 0.813 -26.766 -6.222 1.00 0.00 ? 87 ARG A HH12 2 ATOM 2919 H HH21 . ARG A 1 87 ? 1.071 -23.406 -7.157 1.00 0.00 ? 87 ARG A HH21 2 ATOM 2920 H HH22 . ARG A 1 87 ? 0.631 -25.000 -7.670 1.00 0.00 ? 87 ARG A HH22 2 ATOM 2921 N N . LEU A 1 88 ? 3.113 -24.461 1.694 1.00 0.00 ? 88 LEU A N 2 ATOM 2922 C CA . LEU A 1 88 ? 3.324 -25.361 2.822 1.00 0.00 ? 88 LEU A CA 2 ATOM 2923 C C . LEU A 1 88 ? 2.055 -25.493 3.658 1.00 0.00 ? 88 LEU A C 2 ATOM 2924 O O . LEU A 1 88 ? 1.625 -26.599 3.984 1.00 0.00 ? 88 LEU A O 2 ATOM 2925 C CB . LEU A 1 88 ? 4.473 -24.855 3.695 1.00 0.00 ? 88 LEU A CB 2 ATOM 2926 C CG . LEU A 1 88 ? 5.871 -25.345 3.314 1.00 0.00 ? 88 LEU A CG 2 ATOM 2927 C CD1 . LEU A 1 88 ? 6.330 -24.693 2.019 1.00 0.00 ? 88 LEU A CD1 2 ATOM 2928 C CD2 . LEU A 1 88 ? 6.860 -25.061 4.436 1.00 0.00 ? 88 LEU A CD2 2 ATOM 2929 H H . LEU A 1 88 ? 3.707 -23.690 1.581 1.00 0.00 ? 88 LEU A H 2 ATOM 2930 H HA . LEU A 1 88 ? 3.583 -26.332 2.427 1.00 0.00 ? 88 LEU A HA 2 ATOM 2931 H HB2 . LEU A 1 88 ? 4.476 -23.777 3.646 1.00 0.00 ? 88 LEU A HB2 2 ATOM 2932 H HB3 . LEU A 1 88 ? 4.278 -25.168 4.711 1.00 0.00 ? 88 LEU A HB3 2 ATOM 2933 H HG . LEU A 1 88 ? 5.840 -26.414 3.157 1.00 0.00 ? 88 LEU A HG 2 ATOM 2934 H HD11 . LEU A 1 88 ? 5.869 -23.722 1.922 1.00 0.00 ? 88 LEU A HD11 2 ATOM 2935 H HD12 . LEU A 1 88 ? 6.044 -25.314 1.183 1.00 0.00 ? 88 LEU A HD12 2 ATOM 2936 H HD13 . LEU A 1 88 ? 7.405 -24.583 2.033 1.00 0.00 ? 88 LEU A HD13 2 ATOM 2937 H HD21 . LEU A 1 88 ? 7.848 -24.932 4.020 1.00 0.00 ? 88 LEU A HD21 2 ATOM 2938 H HD22 . LEU A 1 88 ? 6.867 -25.891 5.128 1.00 0.00 ? 88 LEU A HD22 2 ATOM 2939 H HD23 . LEU A 1 88 ? 6.566 -24.161 4.955 1.00 0.00 ? 88 LEU A HD23 2 ATOM 2940 N N . LYS A 1 89 ? 1.458 -24.356 4.001 1.00 0.00 ? 89 LYS A N 2 ATOM 2941 C CA . LYS A 1 89 ? 0.236 -24.343 4.796 1.00 0.00 ? 89 LYS A CA 2 ATOM 2942 C C . LYS A 1 89 ? -0.923 -24.966 4.024 1.00 0.00 ? 89 LYS A C 2 ATOM 2943 O O . LYS A 1 89 ? -1.846 -25.525 4.615 1.00 0.00 ? 89 LYS A O 2 ATOM 2944 C CB . LYS A 1 89 ? -0.119 -22.910 5.200 1.00 0.00 ? 89 LYS A CB 2 ATOM 2945 C CG . LYS A 1 89 ? -0.548 -22.038 4.033 1.00 0.00 ? 89 LYS A CG 2 ATOM 2946 C CD . LYS A 1 89 ? -1.034 -20.677 4.504 1.00 0.00 ? 89 LYS A CD 2 ATOM 2947 C CE . LYS A 1 89 ? -2.516 -20.701 4.843 1.00 0.00 ? 89 LYS A CE 2 ATOM 2948 N NZ . LYS A 1 89 ? -3.365 -20.493 3.637 1.00 0.00 ? 89 LYS A NZ 2 ATOM 2949 H H . LYS A 1 89 ? 1.848 -23.505 3.711 1.00 0.00 ? 89 LYS A H 2 ATOM 2950 H HA . LYS A 1 89 ? 0.413 -24.926 5.687 1.00 0.00 ? 89 LYS A HA 2 ATOM 2951 H HB2 . LYS A 1 89 ? -0.926 -22.940 5.917 1.00 0.00 ? 89 LYS A HB2 2 ATOM 2952 H HB3 . LYS A 1 89 ? 0.745 -22.456 5.663 1.00 0.00 ? 89 LYS A HB3 2 ATOM 2953 H HG2 . LYS A 1 89 ? 0.293 -21.898 3.371 1.00 0.00 ? 89 LYS A HG2 2 ATOM 2954 H HG3 . LYS A 1 89 ? -1.350 -22.532 3.502 1.00 0.00 ? 89 LYS A HG3 2 ATOM 2955 H HD2 . LYS A 1 89 ? -0.479 -20.391 5.385 1.00 0.00 ? 89 LYS A HD2 2 ATOM 2956 H HD3 . LYS A 1 89 ? -0.865 -19.953 3.719 1.00 0.00 ? 89 LYS A HD3 2 ATOM 2957 H HE2 . LYS A 1 89 ? -2.757 -21.657 5.281 1.00 0.00 ? 89 LYS A HE2 2 ATOM 2958 H HE3 . LYS A 1 89 ? -2.721 -19.916 5.557 1.00 0.00 ? 89 LYS A HE3 2 ATOM 2959 H HZ1 . LYS A 1 89 ? -3.889 -19.598 3.719 1.00 0.00 ? 89 LYS A HZ1 2 ATOM 2960 H HZ2 . LYS A 1 89 ? -4.046 -21.272 3.541 1.00 0.00 ? 89 LYS A HZ2 2 ATOM 2961 H HZ3 . LYS A 1 89 ? -2.771 -20.458 2.784 1.00 0.00 ? 89 LYS A HZ3 2 ATOM 2962 N N . ALA A 1 90 ? -0.866 -24.867 2.699 1.00 0.00 ? 90 ALA A N 2 ATOM 2963 C CA . ALA A 1 90 ? -1.909 -25.424 1.847 1.00 0.00 ? 90 ALA A CA 2 ATOM 2964 C C . ALA A 1 90 ? -1.561 -26.843 1.409 1.00 0.00 ? 90 ALA A C 2 ATOM 2965 O O . ALA A 1 90 ? -1.664 -27.183 0.230 1.00 0.00 ? 90 ALA A O 2 ATOM 2966 C CB . ALA A 1 90 ? -2.129 -24.534 0.632 1.00 0.00 ? 90 ALA A CB 2 ATOM 2967 H H . ALA A 1 90 ? -0.104 -24.410 2.286 1.00 0.00 ? 90 ALA A H 2 ATOM 2968 H HA . ALA A 1 90 ? -2.828 -25.448 2.415 1.00 0.00 ? 90 ALA A HA 2 ATOM 2969 H HB1 . ALA A 1 90 ? -2.649 -23.637 0.934 1.00 0.00 ? 90 ALA A HB1 2 ATOM 2970 H HB2 . ALA A 1 90 ? -1.174 -24.270 0.202 1.00 0.00 ? 90 ALA A HB2 2 ATOM 2971 H HB3 . ALA A 1 90 ? -2.719 -25.064 -0.100 1.00 0.00 ? 90 ALA A HB3 2 ATOM 2972 N N . HIS A 1 91 ? -1.148 -27.668 2.366 1.00 0.00 ? 91 HIS A N 2 ATOM 2973 C CA . HIS A 1 91 ? -0.784 -29.051 2.079 1.00 0.00 ? 91 HIS A CA 2 ATOM 2974 C C . HIS A 1 91 ? -0.114 -29.164 0.713 1.00 0.00 ? 91 HIS A C 2 ATOM 2975 O O . HIS A 1 91 ? -0.528 -29.961 -0.128 1.00 0.00 ? 91 HIS A O 2 ATOM 2976 C CB . HIS A 1 91 ? -2.022 -29.946 2.129 1.00 0.00 ? 91 HIS A CB 2 ATOM 2977 C CG . HIS A 1 91 ? -1.717 -31.372 2.472 1.00 0.00 ? 91 HIS A CG 2 ATOM 2978 N ND1 . HIS A 1 91 ? -2.548 -32.421 2.139 1.00 0.00 ? 91 HIS A ND1 2 ATOM 2979 C CD2 . HIS A 1 91 ? -0.663 -31.920 3.121 1.00 0.00 ? 91 HIS A CD2 2 ATOM 2980 C CE1 . HIS A 1 91 ? -2.019 -33.552 2.571 1.00 0.00 ? 91 HIS A CE1 2 ATOM 2981 N NE2 . HIS A 1 91 ? -0.875 -33.276 3.170 1.00 0.00 ? 91 HIS A NE2 2 ATOM 2982 H H . HIS A 1 91 ? -1.086 -27.338 3.287 1.00 0.00 ? 91 HIS A H 2 ATOM 2983 H HA . HIS A 1 91 ? -0.086 -29.374 2.837 1.00 0.00 ? 91 HIS A HA 2 ATOM 2984 H HB2 . HIS A 1 91 ? -2.705 -29.565 2.874 1.00 0.00 ? 91 HIS A HB2 2 ATOM 2985 H HB3 . HIS A 1 91 ? -2.507 -29.933 1.163 1.00 0.00 ? 91 HIS A HB3 2 ATOM 2986 H HD1 . HIS A 1 91 ? -3.399 -32.347 1.660 1.00 0.00 ? 91 HIS A HD1 2 ATOM 2987 H HD2 . HIS A 1 91 ? 0.187 -31.390 3.527 1.00 0.00 ? 91 HIS A HD2 2 ATOM 2988 H HE1 . HIS A 1 91 ? -2.449 -34.536 2.453 1.00 0.00 ? 91 HIS A HE1 2 ATOM 2989 H HE2 . HIS A 1 91 ? -0.321 -33.923 3.654 1.00 0.00 ? 91 HIS A HE2 2 ATOM 2990 N N . SER A 1 92 ? 0.923 -28.360 0.500 1.00 0.00 ? 92 SER A N 2 ATOM 2991 C CA . SER A 1 92 ? 1.648 -28.367 -0.765 1.00 0.00 ? 92 SER A CA 2 ATOM 2992 C C . SER A 1 92 ? 3.141 -28.149 -0.537 1.00 0.00 ? 92 SER A C 2 ATOM 2993 O O . SER A 1 92 ? 3.582 -27.926 0.589 1.00 0.00 ? 92 SER A O 2 ATOM 2994 C CB . SER A 1 92 ? 1.100 -27.285 -1.697 1.00 0.00 ? 92 SER A CB 2 ATOM 2995 O OG . SER A 1 92 ? -0.261 -27.524 -2.011 1.00 0.00 ? 92 SER A OG 2 ATOM 2996 H H . SER A 1 92 ? 1.206 -27.747 1.210 1.00 0.00 ? 92 SER A H 2 ATOM 2997 H HA . SER A 1 92 ? 1.503 -29.334 -1.225 1.00 0.00 ? 92 SER A HA 2 ATOM 2998 H HB2 . SER A 1 92 ? 1.181 -26.323 -1.215 1.00 0.00 ? 92 SER A HB2 2 ATOM 2999 H HB3 . SER A 1 92 ? 1.673 -27.279 -2.613 1.00 0.00 ? 92 SER A HB3 2 ATOM 3000 H HG . SER A 1 92 ? -0.323 -27.935 -2.877 1.00 0.00 ? 92 SER A HG 2 ATOM 3001 N N . GLY A 1 93 ? 3.914 -28.216 -1.617 1.00 0.00 ? 93 GLY A N 2 ATOM 3002 C CA . GLY A 1 93 ? 5.349 -28.025 -1.515 1.00 0.00 ? 93 GLY A CA 2 ATOM 3003 C C . GLY A 1 93 ? 5.992 -28.976 -0.526 1.00 0.00 ? 93 GLY A C 2 ATOM 3004 O O . GLY A 1 93 ? 5.386 -29.956 -0.091 1.00 0.00 ? 93 GLY A O 2 ATOM 3005 H H . GLY A 1 93 ? 3.507 -28.397 -2.490 1.00 0.00 ? 93 GLY A H 2 ATOM 3006 H HA2 . GLY A 1 93 ? 5.792 -28.179 -2.488 1.00 0.00 ? 93 GLY A HA2 2 ATOM 3007 H HA3 . GLY A 1 93 ? 5.543 -27.010 -1.199 1.00 0.00 ? 93 GLY A HA3 2 ATOM 3008 N N . PRO A 1 94 ? 7.250 -28.691 -0.157 1.00 0.00 ? 94 PRO A N 2 ATOM 3009 C CA . PRO A 1 94 ? 8.003 -29.518 0.790 1.00 0.00 ? 94 PRO A CA 2 ATOM 3010 C C . PRO A 1 94 ? 7.459 -29.415 2.211 1.00 0.00 ? 94 PRO A C 2 ATOM 3011 O O . PRO A 1 94 ? 7.907 -28.582 2.998 1.00 0.00 ? 94 PRO A O 2 ATOM 3012 C CB . PRO A 1 94 ? 9.419 -28.941 0.717 1.00 0.00 ? 94 PRO A CB 2 ATOM 3013 C CG . PRO A 1 94 ? 9.231 -27.531 0.273 1.00 0.00 ? 94 PRO A CG 2 ATOM 3014 C CD . PRO A 1 94 ? 8.033 -27.540 -0.636 1.00 0.00 ? 94 PRO A CD 2 ATOM 3015 H HA . PRO A 1 94 ? 8.019 -30.555 0.487 1.00 0.00 ? 94 PRO A HA 2 ATOM 3016 H HB2 . PRO A 1 94 ? 9.882 -28.991 1.693 1.00 0.00 ? 94 PRO A HB2 2 ATOM 3017 H HB3 . PRO A 1 94 ? 10.005 -29.504 0.006 1.00 0.00 ? 94 PRO A HB3 2 ATOM 3018 H HG2 . PRO A 1 94 ? 9.049 -26.898 1.128 1.00 0.00 ? 94 PRO A HG2 2 ATOM 3019 H HG3 . PRO A 1 94 ? 10.106 -27.196 -0.264 1.00 0.00 ? 94 PRO A HG3 2 ATOM 3020 H HD2 . PRO A 1 94 ? 7.473 -26.622 -0.530 1.00 0.00 ? 94 PRO A HD2 2 ATOM 3021 H HD3 . PRO A 1 94 ? 8.338 -27.682 -1.662 1.00 0.00 ? 94 PRO A HD3 2 ATOM 3022 N N . SER A 1 95 ? 6.490 -30.266 2.532 1.00 0.00 ? 95 SER A N 2 ATOM 3023 C CA . SER A 1 95 ? 5.882 -30.268 3.857 1.00 0.00 ? 95 SER A CA 2 ATOM 3024 C C . SER A 1 95 ? 5.806 -31.685 4.419 1.00 0.00 ? 95 SER A C 2 ATOM 3025 O O . SER A 1 95 ? 5.646 -32.652 3.674 1.00 0.00 ? 95 SER A O 2 ATOM 3026 C CB . SER A 1 95 ? 4.482 -29.654 3.800 1.00 0.00 ? 95 SER A CB 2 ATOM 3027 O OG . SER A 1 95 ? 4.529 -28.254 4.015 1.00 0.00 ? 95 SER A OG 2 ATOM 3028 H H . SER A 1 95 ? 6.175 -30.907 1.860 1.00 0.00 ? 95 SER A H 2 ATOM 3029 H HA . SER A 1 95 ? 6.502 -29.669 4.507 1.00 0.00 ? 95 SER A HA 2 ATOM 3030 H HB2 . SER A 1 95 ? 4.048 -29.843 2.830 1.00 0.00 ? 95 SER A HB2 2 ATOM 3031 H HB3 . SER A 1 95 ? 3.864 -30.103 4.564 1.00 0.00 ? 95 SER A HB3 2 ATOM 3032 H HG . SER A 1 95 ? 5.010 -28.071 4.825 1.00 0.00 ? 95 SER A HG 2 ATOM 3033 N N . SER A 1 96 ? 5.922 -31.799 5.738 1.00 0.00 ? 96 SER A N 2 ATOM 3034 C CA . SER A 1 96 ? 5.871 -33.097 6.400 1.00 0.00 ? 96 SER A CA 2 ATOM 3035 C C . SER A 1 96 ? 4.590 -33.241 7.215 1.00 0.00 ? 96 SER A C 2 ATOM 3036 O O . SER A 1 96 ? 3.839 -34.201 7.049 1.00 0.00 ? 96 SER A O 2 ATOM 3037 C CB . SER A 1 96 ? 7.089 -33.279 7.307 1.00 0.00 ? 96 SER A CB 2 ATOM 3038 O OG . SER A 1 96 ? 8.291 -32.996 6.611 1.00 0.00 ? 96 SER A OG 2 ATOM 3039 H H . SER A 1 96 ? 6.048 -30.991 6.278 1.00 0.00 ? 96 SER A H 2 ATOM 3040 H HA . SER A 1 96 ? 5.885 -33.860 5.636 1.00 0.00 ? 96 SER A HA 2 ATOM 3041 H HB2 . SER A 1 96 ? 7.010 -32.610 8.151 1.00 0.00 ? 96 SER A HB2 2 ATOM 3042 H HB3 . SER A 1 96 ? 7.123 -34.300 7.659 1.00 0.00 ? 96 SER A HB3 2 ATOM 3043 H HG . SER A 1 96 ? 8.184 -33.220 5.683 1.00 0.00 ? 96 SER A HG 2 ATOM 3044 N N . GLY A 1 97 ? 4.347 -32.277 8.099 1.00 0.00 ? 97 GLY A N 2 ATOM 3045 C CA . GLY A 1 97 ? 3.156 -32.314 8.928 1.00 0.00 ? 97 GLY A CA 2 ATOM 3046 C C . GLY A 1 97 ? 2.536 -30.943 9.113 1.00 0.00 ? 97 GLY A C 2 ATOM 3047 O O . GLY A 1 97 ? 2.449 -30.161 8.167 1.00 0.00 ? 97 GLY A O 2 ATOM 3048 H H . GLY A 1 97 ? 4.981 -31.536 8.189 1.00 0.00 ? 97 GLY A H 2 ATOM 3049 H HA2 . GLY A 1 97 ? 2.430 -32.967 8.467 1.00 0.00 ? 97 GLY A HA2 2 ATOM 3050 H HA3 . GLY A 1 97 ? 3.419 -32.711 9.898 1.00 0.00 ? 97 GLY A HA3 2 ATOM 3051 N N . GLY A 1 1 ? 0.299 12.909 11.460 1.00 0.00 ? 1 GLY A N 3 ATOM 3052 C CA . GLY A 1 1 ? -0.440 12.112 12.422 1.00 0.00 ? 1 GLY A CA 3 ATOM 3053 C C . GLY A 1 1 ? -1.316 12.958 13.325 1.00 0.00 ? 1 GLY A C 3 ATOM 3054 O O . GLY A 1 1 ? -2.368 13.440 12.905 1.00 0.00 ? 1 GLY A O 3 ATOM 3055 H H1 . GLY A 1 1 ? 0.851 12.467 10.782 1.00 0.00 ? 1 GLY A H1 3 ATOM 3056 H HA2 . GLY A 1 1 ? -1.063 11.410 11.889 1.00 0.00 ? 1 GLY A HA2 3 ATOM 3057 H HA3 . GLY A 1 1 ? 0.262 11.564 13.033 1.00 0.00 ? 1 GLY A HA3 3 ATOM 3058 N N . SER A 1 2 ? -0.883 13.138 14.568 1.00 0.00 ? 2 SER A N 3 ATOM 3059 C CA . SER A 1 2 ? -1.638 13.927 15.534 1.00 0.00 ? 2 SER A CA 3 ATOM 3060 C C . SER A 1 2 ? -1.386 15.418 15.333 1.00 0.00 ? 2 SER A C 3 ATOM 3061 O O . SER A 1 2 ? -0.423 15.973 15.861 1.00 0.00 ? 2 SER A O 3 ATOM 3062 C CB . SER A 1 2 ? -1.261 13.523 16.961 1.00 0.00 ? 2 SER A CB 3 ATOM 3063 O OG . SER A 1 2 ? 0.109 13.775 17.217 1.00 0.00 ? 2 SER A OG 3 ATOM 3064 H H . SER A 1 2 ? -0.036 12.728 14.843 1.00 0.00 ? 2 SER A H 3 ATOM 3065 H HA . SER A 1 2 ? -2.688 13.727 15.378 1.00 0.00 ? 2 SER A HA 3 ATOM 3066 H HB2 . SER A 1 2 ? -1.856 14.089 17.662 1.00 0.00 ? 2 SER A HB2 3 ATOM 3067 H HB3 . SER A 1 2 ? -1.453 12.468 17.095 1.00 0.00 ? 2 SER A HB3 3 ATOM 3068 H HG . SER A 1 2 ? 0.287 13.659 18.154 1.00 0.00 ? 2 SER A HG 3 ATOM 3069 N N . SER A 1 3 ? -2.260 16.061 14.565 1.00 0.00 ? 3 SER A N 3 ATOM 3070 C CA . SER A 1 3 ? -2.132 17.488 14.290 1.00 0.00 ? 3 SER A CA 3 ATOM 3071 C C . SER A 1 3 ? -3.427 18.048 13.711 1.00 0.00 ? 3 SER A C 3 ATOM 3072 O O . SER A 1 3 ? -3.948 17.539 12.719 1.00 0.00 ? 3 SER A O 3 ATOM 3073 C CB . SER A 1 3 ? -0.976 17.739 13.321 1.00 0.00 ? 3 SER A CB 3 ATOM 3074 O OG . SER A 1 3 ? -1.266 17.220 12.034 1.00 0.00 ? 3 SER A OG 3 ATOM 3075 H H . SER A 1 3 ? -3.008 15.564 14.173 1.00 0.00 ? 3 SER A H 3 ATOM 3076 H HA . SER A 1 3 ? -1.923 17.988 15.224 1.00 0.00 ? 3 SER A HA 3 ATOM 3077 H HB2 . SER A 1 3 ? -0.805 18.802 13.236 1.00 0.00 ? 3 SER A HB2 3 ATOM 3078 H HB3 . SER A 1 3 ? -0.084 17.260 13.696 1.00 0.00 ? 3 SER A HB3 3 ATOM 3079 H HG . SER A 1 3 ? -1.148 16.268 12.039 1.00 0.00 ? 3 SER A HG 3 ATOM 3080 N N . GLY A 1 4 ? -3.943 19.101 14.339 1.00 0.00 ? 4 GLY A N 3 ATOM 3081 C CA . GLY A 1 4 ? -5.173 19.713 13.873 1.00 0.00 ? 4 GLY A CA 3 ATOM 3082 C C . GLY A 1 4 ? -4.924 20.972 13.065 1.00 0.00 ? 4 GLY A C 3 ATOM 3083 O O . GLY A 1 4 ? -5.187 22.080 13.533 1.00 0.00 ? 4 GLY A O 3 ATOM 3084 H H . GLY A 1 4 ? -3.484 19.464 15.125 1.00 0.00 ? 4 GLY A H 3 ATOM 3085 H HA2 . GLY A 1 4 ? -5.706 19.003 13.259 1.00 0.00 ? 4 GLY A HA2 3 ATOM 3086 H HA3 . GLY A 1 4 ? -5.783 19.964 14.728 1.00 0.00 ? 4 GLY A HA3 3 ATOM 3087 N N . SER A 1 5 ? -4.415 20.802 11.849 1.00 0.00 ? 5 SER A N 3 ATOM 3088 C CA . SER A 1 5 ? -4.125 21.933 10.977 1.00 0.00 ? 5 SER A CA 3 ATOM 3089 C C . SER A 1 5 ? -4.499 21.615 9.532 1.00 0.00 ? 5 SER A C 3 ATOM 3090 O O . SER A 1 5 ? -4.406 20.469 9.093 1.00 0.00 ? 5 SER A O 3 ATOM 3091 C CB . SER A 1 5 ? -2.643 22.304 11.062 1.00 0.00 ? 5 SER A CB 3 ATOM 3092 O OG . SER A 1 5 ? -2.359 23.453 10.283 1.00 0.00 ? 5 SER A OG 3 ATOM 3093 H H . SER A 1 5 ? -4.227 19.893 11.533 1.00 0.00 ? 5 SER A H 3 ATOM 3094 H HA . SER A 1 5 ? -4.717 22.771 11.313 1.00 0.00 ? 5 SER A HA 3 ATOM 3095 H HB2 . SER A 1 5 ? -2.384 22.508 12.090 1.00 0.00 ? 5 SER A HB2 3 ATOM 3096 H HB3 . SER A 1 5 ? -2.047 21.480 10.698 1.00 0.00 ? 5 SER A HB3 3 ATOM 3097 H HG . SER A 1 5 ? -1.727 23.226 9.597 1.00 0.00 ? 5 SER A HG 3 ATOM 3098 N N . SER A 1 6 ? -4.922 22.639 8.798 1.00 0.00 ? 6 SER A N 3 ATOM 3099 C CA . SER A 1 6 ? -5.314 22.470 7.404 1.00 0.00 ? 6 SER A CA 3 ATOM 3100 C C . SER A 1 6 ? -4.185 22.889 6.467 1.00 0.00 ? 6 SER A C 3 ATOM 3101 O O . SER A 1 6 ? -4.001 24.073 6.189 1.00 0.00 ? 6 SER A O 3 ATOM 3102 C CB . SER A 1 6 ? -6.572 23.287 7.102 1.00 0.00 ? 6 SER A CB 3 ATOM 3103 O OG . SER A 1 6 ? -7.736 22.611 7.543 1.00 0.00 ? 6 SER A OG 3 ATOM 3104 H H . SER A 1 6 ? -4.973 23.530 9.204 1.00 0.00 ? 6 SER A H 3 ATOM 3105 H HA . SER A 1 6 ? -5.528 21.423 7.244 1.00 0.00 ? 6 SER A HA 3 ATOM 3106 H HB2 . SER A 1 6 ? -6.509 24.238 7.608 1.00 0.00 ? 6 SER A HB2 3 ATOM 3107 H HB3 . SER A 1 6 ? -6.645 23.449 6.037 1.00 0.00 ? 6 SER A HB3 3 ATOM 3108 H HG . SER A 1 6 ? -8.173 23.133 8.220 1.00 0.00 ? 6 SER A HG 3 ATOM 3109 N N . GLY A 1 7 ? -3.430 21.907 5.982 1.00 0.00 ? 7 GLY A N 3 ATOM 3110 C CA . GLY A 1 7 ? -2.328 22.193 5.082 1.00 0.00 ? 7 GLY A CA 3 ATOM 3111 C C . GLY A 1 7 ? -2.645 21.832 3.645 1.00 0.00 ? 7 GLY A C 3 ATOM 3112 O O . GLY A 1 7 ? -3.326 22.581 2.945 1.00 0.00 ? 7 GLY A O 3 ATOM 3113 H H . GLY A 1 7 ? -3.623 20.981 6.239 1.00 0.00 ? 7 GLY A H 3 ATOM 3114 H HA2 . GLY A 1 7 ? -2.099 23.247 5.136 1.00 0.00 ? 7 GLY A HA2 3 ATOM 3115 H HA3 . GLY A 1 7 ? -1.463 21.630 5.401 1.00 0.00 ? 7 GLY A HA3 3 ATOM 3116 N N . MET A 1 8 ? -2.149 20.681 3.202 1.00 0.00 ? 8 MET A N 3 ATOM 3117 C CA . MET A 1 8 ? -2.383 20.223 1.838 1.00 0.00 ? 8 MET A CA 3 ATOM 3118 C C . MET A 1 8 ? -3.405 19.091 1.813 1.00 0.00 ? 8 MET A C 3 ATOM 3119 O O . MET A 1 8 ? -3.217 18.089 1.124 1.00 0.00 ? 8 MET A O 3 ATOM 3120 C CB . MET A 1 8 ? -1.072 19.756 1.202 1.00 0.00 ? 8 MET A CB 3 ATOM 3121 C CG . MET A 1 8 ? -0.305 20.868 0.506 1.00 0.00 ? 8 MET A CG 3 ATOM 3122 S SD . MET A 1 8 ? -1.156 21.489 -0.957 1.00 0.00 ? 8 MET A SD 3 ATOM 3123 C CE . MET A 1 8 ? -0.047 20.941 -2.252 1.00 0.00 ? 8 MET A CE 3 ATOM 3124 H H . MET A 1 8 ? -1.613 20.127 3.807 1.00 0.00 ? 8 MET A H 3 ATOM 3125 H HA . MET A 1 8 ? -2.771 21.055 1.271 1.00 0.00 ? 8 MET A HA 3 ATOM 3126 H HB2 . MET A 1 8 ? -0.440 19.339 1.972 1.00 0.00 ? 8 MET A HB2 3 ATOM 3127 H HB3 . MET A 1 8 ? -1.292 18.989 0.474 1.00 0.00 ? 8 MET A HB3 3 ATOM 3128 H HG2 . MET A 1 8 ? -0.170 21.684 1.200 1.00 0.00 ? 8 MET A HG2 3 ATOM 3129 H HG3 . MET A 1 8 ? 0.662 20.488 0.210 1.00 0.00 ? 8 MET A HG3 3 ATOM 3130 H HE1 . MET A 1 8 ? 0.807 20.448 -1.811 1.00 0.00 ? 8 MET A HE1 3 ATOM 3131 H HE2 . MET A 1 8 ? -0.565 20.252 -2.902 1.00 0.00 ? 8 MET A HE2 3 ATOM 3132 H HE3 . MET A 1 8 ? 0.287 21.795 -2.825 1.00 0.00 ? 8 MET A HE3 3 ATOM 3133 N N . GLU A 1 9 ? -4.486 19.259 2.568 1.00 0.00 ? 9 GLU A N 3 ATOM 3134 C CA . GLU A 1 9 ? -5.537 18.250 2.632 1.00 0.00 ? 9 GLU A CA 3 ATOM 3135 C C . GLU A 1 9 ? -5.964 17.820 1.231 1.00 0.00 ? 9 GLU A C 3 ATOM 3136 O O . GLU A 1 9 ? -6.430 16.699 1.029 1.00 0.00 ? 9 GLU A O 3 ATOM 3137 C CB . GLU A 1 9 ? -6.745 18.786 3.403 1.00 0.00 ? 9 GLU A CB 3 ATOM 3138 C CG . GLU A 1 9 ? -6.573 18.739 4.912 1.00 0.00 ? 9 GLU A CG 3 ATOM 3139 C CD . GLU A 1 9 ? -6.808 17.353 5.482 1.00 0.00 ? 9 GLU A CD 3 ATOM 3140 O OE1 . GLU A 1 9 ? -5.867 16.533 5.456 1.00 0.00 ? 9 GLU A OE1 3 ATOM 3141 O OE2 . GLU A 1 9 ? -7.934 17.090 5.955 1.00 0.00 ? 9 GLU A OE2 3 ATOM 3142 H H . GLU A 1 9 ? -4.579 20.080 3.095 1.00 0.00 ? 9 GLU A H 3 ATOM 3143 H HA . GLU A 1 9 ? -5.141 17.391 3.153 1.00 0.00 ? 9 GLU A HA 3 ATOM 3144 H HB2 . GLU A 1 9 ? -6.915 19.813 3.113 1.00 0.00 ? 9 GLU A HB2 3 ATOM 3145 H HB3 . GLU A 1 9 ? -7.613 18.200 3.142 1.00 0.00 ? 9 GLU A HB3 3 ATOM 3146 H HG2 . GLU A 1 9 ? -5.568 19.046 5.157 1.00 0.00 ? 9 GLU A HG2 3 ATOM 3147 H HG3 . GLU A 1 9 ? -7.277 19.422 5.364 1.00 0.00 ? 9 GLU A HG3 3 ATOM 3148 N N . GLY A 1 10 ? -5.803 18.721 0.267 1.00 0.00 ? 10 GLY A N 3 ATOM 3149 C CA . GLY A 1 10 ? -6.177 18.418 -1.102 1.00 0.00 ? 10 GLY A CA 3 ATOM 3150 C C . GLY A 1 10 ? -5.671 17.063 -1.555 1.00 0.00 ? 10 GLY A C 3 ATOM 3151 O O . GLY A 1 10 ? -6.376 16.056 -1.483 1.00 0.00 ? 10 GLY A O 3 ATOM 3152 H H . GLY A 1 10 ? -5.427 19.599 0.487 1.00 0.00 ? 10 GLY A H 3 ATOM 3153 H HA2 . GLY A 1 10 ? -7.254 18.433 -1.181 1.00 0.00 ? 10 GLY A HA2 3 ATOM 3154 H HA3 . GLY A 1 10 ? -5.768 19.177 -1.752 1.00 0.00 ? 10 GLY A HA3 3 ATOM 3155 N N . PRO A 1 11 ? -4.419 17.025 -2.036 1.00 0.00 ? 11 PRO A N 3 ATOM 3156 C CA . PRO A 1 11 ? -3.791 15.789 -2.514 1.00 0.00 ? 11 PRO A CA 3 ATOM 3157 C C . PRO A 1 11 ? -3.488 14.817 -1.378 1.00 0.00 ? 11 PRO A C 3 ATOM 3158 O O . PRO A 1 11 ? -3.194 13.645 -1.613 1.00 0.00 ? 11 PRO A O 3 ATOM 3159 C CB . PRO A 1 11 ? -2.493 16.278 -3.160 1.00 0.00 ? 11 PRO A CB 3 ATOM 3160 C CG . PRO A 1 11 ? -2.190 17.566 -2.475 1.00 0.00 ? 11 PRO A CG 3 ATOM 3161 C CD . PRO A 1 11 ? -3.521 18.186 -2.152 1.00 0.00 ? 11 PRO A CD 3 ATOM 3162 H HA . PRO A 1 11 ? -4.402 15.295 -3.256 1.00 0.00 ? 11 PRO A HA 3 ATOM 3163 H HB2 . PRO A 1 11 ? -1.711 15.549 -2.998 1.00 0.00 ? 11 PRO A HB2 3 ATOM 3164 H HB3 . PRO A 1 11 ? -2.646 16.421 -4.219 1.00 0.00 ? 11 PRO A HB3 3 ATOM 3165 H HG2 . PRO A 1 11 ? -1.634 17.378 -1.569 1.00 0.00 ? 11 PRO A HG2 3 ATOM 3166 H HG3 . PRO A 1 11 ? -1.628 18.209 -3.136 1.00 0.00 ? 11 PRO A HG3 3 ATOM 3167 H HD2 . PRO A 1 11 ? -3.468 18.727 -1.219 1.00 0.00 ? 11 PRO A HD2 3 ATOM 3168 H HD3 . PRO A 1 11 ? -3.837 18.839 -2.952 1.00 0.00 ? 11 PRO A HD3 3 ATOM 3169 N N . LEU A 1 12 ? -3.563 15.311 -0.147 1.00 0.00 ? 12 LEU A N 3 ATOM 3170 C CA . LEU A 1 12 ? -3.297 14.485 1.026 1.00 0.00 ? 12 LEU A CA 3 ATOM 3171 C C . LEU A 1 12 ? -4.391 13.440 1.215 1.00 0.00 ? 12 LEU A C 3 ATOM 3172 O O . LEU A 1 12 ? -4.107 12.266 1.450 1.00 0.00 ? 12 LEU A O 3 ATOM 3173 C CB . LEU A 1 12 ? -3.190 15.360 2.276 1.00 0.00 ? 12 LEU A CB 3 ATOM 3174 C CG . LEU A 1 12 ? -1.798 15.907 2.596 1.00 0.00 ? 12 LEU A CG 3 ATOM 3175 C CD1 . LEU A 1 12 ? -1.887 17.030 3.617 1.00 0.00 ? 12 LEU A CD1 3 ATOM 3176 C CD2 . LEU A 1 12 ? -0.892 14.794 3.102 1.00 0.00 ? 12 LEU A CD2 3 ATOM 3177 H H . LEU A 1 12 ? -3.802 16.253 -0.023 1.00 0.00 ? 12 LEU A H 3 ATOM 3178 H HA . LEU A 1 12 ? -2.356 13.980 0.868 1.00 0.00 ? 12 LEU A HA 3 ATOM 3179 H HB2 . LEU A 1 12 ? -3.854 16.201 2.148 1.00 0.00 ? 12 LEU A HB2 3 ATOM 3180 H HB3 . LEU A 1 12 ? -3.517 14.770 3.120 1.00 0.00 ? 12 LEU A HB3 3 ATOM 3181 H HG . LEU A 1 12 ? -1.361 16.311 1.693 1.00 0.00 ? 12 LEU A HG 3 ATOM 3182 H HD11 . LEU A 1 12 ? -1.387 16.731 4.526 1.00 0.00 ? 12 LEU A HD11 3 ATOM 3183 H HD12 . LEU A 1 12 ? -2.925 17.241 3.830 1.00 0.00 ? 12 LEU A HD12 3 ATOM 3184 H HD13 . LEU A 1 12 ? -1.415 17.916 3.220 1.00 0.00 ? 12 LEU A HD13 3 ATOM 3185 H HD21 . LEU A 1 12 ? -1.221 13.849 2.695 1.00 0.00 ? 12 LEU A HD21 3 ATOM 3186 H HD22 . LEU A 1 12 ? -0.936 14.756 4.181 1.00 0.00 ? 12 LEU A HD22 3 ATOM 3187 H HD23 . LEU A 1 12 ? 0.124 14.987 2.789 1.00 0.00 ? 12 LEU A HD23 3 ATOM 3188 N N . ASN A 1 13 ? -5.642 13.874 1.108 1.00 0.00 ? 13 ASN A N 3 ATOM 3189 C CA . ASN A 1 13 ? -6.779 12.975 1.265 1.00 0.00 ? 13 ASN A CA 3 ATOM 3190 C C . ASN A 1 13 ? -6.837 11.964 0.123 1.00 0.00 ? 13 ASN A C 3 ATOM 3191 O O . ASN A 1 13 ? -7.117 10.784 0.337 1.00 0.00 ? 13 ASN A O 3 ATOM 3192 C CB . ASN A 1 13 ? -8.084 13.773 1.321 1.00 0.00 ? 13 ASN A CB 3 ATOM 3193 C CG . ASN A 1 13 ? -9.249 12.942 1.824 1.00 0.00 ? 13 ASN A CG 3 ATOM 3194 O OD1 . ASN A 1 13 ? -9.665 11.981 1.177 1.00 0.00 ? 13 ASN A OD1 3 ATOM 3195 N ND2 . ASN A 1 13 ? -9.782 13.311 2.983 1.00 0.00 ? 13 ASN A ND2 3 ATOM 3196 H H . ASN A 1 13 ? -5.805 14.822 0.918 1.00 0.00 ? 13 ASN A H 3 ATOM 3197 H HA . ASN A 1 13 ? -6.654 12.442 2.196 1.00 0.00 ? 13 ASN A HA 3 ATOM 3198 H HB2 . ASN A 1 13 ? -7.955 14.615 1.984 1.00 0.00 ? 13 ASN A HB2 3 ATOM 3199 H HB3 . ASN A 1 13 ? -8.322 14.132 0.331 1.00 0.00 ? 13 ASN A HB3 3 ATOM 3200 H HD21 . ASN A 1 13 ? -9.399 14.088 3.442 1.00 0.00 ? 13 ASN A HD21 3 ATOM 3201 H HD22 . ASN A 1 13 ? -10.536 12.791 3.331 1.00 0.00 ? 13 ASN A HD22 3 ATOM 3202 N N . LEU A 1 14 ? -6.568 12.435 -1.090 1.00 0.00 ? 14 LEU A N 3 ATOM 3203 C CA . LEU A 1 14 ? -6.588 11.574 -2.267 1.00 0.00 ? 14 LEU A CA 3 ATOM 3204 C C . LEU A 1 14 ? -5.728 10.333 -2.048 1.00 0.00 ? 14 LEU A C 3 ATOM 3205 O O . LEU A 1 14 ? -6.079 9.238 -2.484 1.00 0.00 ? 14 LEU A O 3 ATOM 3206 C CB . LEU A 1 14 ? -6.093 12.342 -3.494 1.00 0.00 ? 14 LEU A CB 3 ATOM 3207 C CG . LEU A 1 14 ? -7.151 13.139 -4.258 1.00 0.00 ? 14 LEU A CG 3 ATOM 3208 C CD1 . LEU A 1 14 ? -6.504 14.267 -5.045 1.00 0.00 ? 14 LEU A CD1 3 ATOM 3209 C CD2 . LEU A 1 14 ? -7.941 12.225 -5.184 1.00 0.00 ? 14 LEU A CD2 3 ATOM 3210 H H . LEU A 1 14 ? -6.352 13.385 -1.197 1.00 0.00 ? 14 LEU A H 3 ATOM 3211 H HA . LEU A 1 14 ? -7.609 11.264 -2.433 1.00 0.00 ? 14 LEU A HA 3 ATOM 3212 H HB2 . LEU A 1 14 ? -5.332 13.033 -3.166 1.00 0.00 ? 14 LEU A HB2 3 ATOM 3213 H HB3 . LEU A 1 14 ? -5.658 11.626 -4.177 1.00 0.00 ? 14 LEU A HB3 3 ATOM 3214 H HG . LEU A 1 14 ? -7.842 13.578 -3.552 1.00 0.00 ? 14 LEU A HG 3 ATOM 3215 H HD11 . LEU A 1 14 ? -6.935 15.210 -4.744 1.00 0.00 ? 14 LEU A HD11 3 ATOM 3216 H HD12 . LEU A 1 14 ? -6.674 14.114 -6.100 1.00 0.00 ? 14 LEU A HD12 3 ATOM 3217 H HD13 . LEU A 1 14 ? -5.441 14.278 -4.850 1.00 0.00 ? 14 LEU A HD13 3 ATOM 3218 H HD21 . LEU A 1 14 ? -8.776 12.769 -5.599 1.00 0.00 ? 14 LEU A HD21 3 ATOM 3219 H HD22 . LEU A 1 14 ? -8.307 11.376 -4.626 1.00 0.00 ? 14 LEU A HD22 3 ATOM 3220 H HD23 . LEU A 1 14 ? -7.301 11.882 -5.983 1.00 0.00 ? 14 LEU A HD23 3 ATOM 3221 N N . ALA A 1 15 ? -4.601 10.514 -1.368 1.00 0.00 ? 15 ALA A N 3 ATOM 3222 C CA . ALA A 1 15 ? -3.693 9.409 -1.087 1.00 0.00 ? 15 ALA A CA 3 ATOM 3223 C C . ALA A 1 15 ? -4.284 8.462 -0.048 1.00 0.00 ? 15 ALA A C 3 ATOM 3224 O O . ALA A 1 15 ? -4.023 7.259 -0.069 1.00 0.00 ? 15 ALA A O 3 ATOM 3225 C CB . ALA A 1 15 ? -2.346 9.938 -0.616 1.00 0.00 ? 15 ALA A CB 3 ATOM 3226 H H . ALA A 1 15 ? -4.375 11.411 -1.046 1.00 0.00 ? 15 ALA A H 3 ATOM 3227 H HA . ALA A 1 15 ? -3.536 8.864 -2.007 1.00 0.00 ? 15 ALA A HA 3 ATOM 3228 H HB1 . ALA A 1 15 ? -2.481 10.502 0.295 1.00 0.00 ? 15 ALA A HB1 3 ATOM 3229 H HB2 . ALA A 1 15 ? -1.678 9.110 -0.432 1.00 0.00 ? 15 ALA A HB2 3 ATOM 3230 H HB3 . ALA A 1 15 ? -1.926 10.579 -1.377 1.00 0.00 ? 15 ALA A HB3 3 ATOM 3231 N N . HIS A 1 16 ? -5.081 9.014 0.862 1.00 0.00 ? 16 HIS A N 3 ATOM 3232 C CA . HIS A 1 16 ? -5.709 8.218 1.911 1.00 0.00 ? 16 HIS A CA 3 ATOM 3233 C C . HIS A 1 16 ? -6.671 7.195 1.314 1.00 0.00 ? 16 HIS A C 3 ATOM 3234 O O . HIS A 1 16 ? -6.675 6.030 1.710 1.00 0.00 ? 16 HIS A O 3 ATOM 3235 C CB . HIS A 1 16 ? -6.454 9.125 2.891 1.00 0.00 ? 16 HIS A CB 3 ATOM 3236 C CG . HIS A 1 16 ? -5.593 10.192 3.493 1.00 0.00 ? 16 HIS A CG 3 ATOM 3237 N ND1 . HIS A 1 16 ? -6.103 11.264 4.193 1.00 0.00 ? 16 HIS A ND1 3 ATOM 3238 C CD2 . HIS A 1 16 ? -4.248 10.346 3.499 1.00 0.00 ? 16 HIS A CD2 3 ATOM 3239 C CE1 . HIS A 1 16 ? -5.110 12.033 4.602 1.00 0.00 ? 16 HIS A CE1 3 ATOM 3240 N NE2 . HIS A 1 16 ? -3.974 11.498 4.194 1.00 0.00 ? 16 HIS A NE2 3 ATOM 3241 H H . HIS A 1 16 ? -5.250 9.978 0.827 1.00 0.00 ? 16 HIS A H 3 ATOM 3242 H HA . HIS A 1 16 ? -4.929 7.693 2.441 1.00 0.00 ? 16 HIS A HA 3 ATOM 3243 H HB2 . HIS A 1 16 ? -7.269 9.609 2.374 1.00 0.00 ? 16 HIS A HB2 3 ATOM 3244 H HB3 . HIS A 1 16 ? -6.852 8.524 3.696 1.00 0.00 ? 16 HIS A HB3 3 ATOM 3245 H HD1 . HIS A 1 16 ? -7.052 11.437 4.364 1.00 0.00 ? 16 HIS A HD1 3 ATOM 3246 H HD2 . HIS A 1 16 ? -3.525 9.686 3.041 1.00 0.00 ? 16 HIS A HD2 3 ATOM 3247 H HE1 . HIS A 1 16 ? -5.209 12.944 5.173 1.00 0.00 ? 16 HIS A HE1 3 ATOM 3248 H HE2 . HIS A 1 16 ? -3.090 11.910 4.288 1.00 0.00 ? 16 HIS A HE2 3 ATOM 3249 N N . GLN A 1 17 ? -7.483 7.640 0.361 1.00 0.00 ? 17 GLN A N 3 ATOM 3250 C CA . GLN A 1 17 ? -8.450 6.762 -0.289 1.00 0.00 ? 17 GLN A CA 3 ATOM 3251 C C . GLN A 1 17 ? -7.808 5.433 -0.671 1.00 0.00 ? 17 GLN A C 3 ATOM 3252 O O . GLN A 1 17 ? -8.295 4.367 -0.295 1.00 0.00 ? 17 GLN A O 3 ATOM 3253 C CB . GLN A 1 17 ? -9.029 7.439 -1.532 1.00 0.00 ? 17 GLN A CB 3 ATOM 3254 C CG . GLN A 1 17 ? -9.832 8.692 -1.225 1.00 0.00 ? 17 GLN A CG 3 ATOM 3255 C CD . GLN A 1 17 ? -10.795 9.056 -2.338 1.00 0.00 ? 17 GLN A CD 3 ATOM 3256 O OE1 . GLN A 1 17 ? -10.963 8.306 -3.299 1.00 0.00 ? 17 GLN A OE1 3 ATOM 3257 N NE2 . GLN A 1 17 ? -11.434 10.214 -2.213 1.00 0.00 ? 17 GLN A NE2 3 ATOM 3258 H H . GLN A 1 17 ? -7.432 8.579 0.089 1.00 0.00 ? 17 GLN A H 3 ATOM 3259 H HA . GLN A 1 17 ? -9.249 6.573 0.412 1.00 0.00 ? 17 GLN A HA 3 ATOM 3260 H HB2 . GLN A 1 17 ? -8.218 7.709 -2.191 1.00 0.00 ? 17 GLN A HB2 3 ATOM 3261 H HB3 . GLN A 1 17 ? -9.677 6.739 -2.040 1.00 0.00 ? 17 GLN A HB3 3 ATOM 3262 H HG2 . GLN A 1 17 ? -10.398 8.529 -0.320 1.00 0.00 ? 17 GLN A HG2 3 ATOM 3263 H HG3 . GLN A 1 17 ? -9.148 9.515 -1.077 1.00 0.00 ? 17 GLN A HG3 3 ATOM 3264 H HE21 . GLN A 1 17 ? -11.250 10.761 -1.420 1.00 0.00 ? 17 GLN A HE21 3 ATOM 3265 H HE22 . GLN A 1 17 ? -12.062 10.474 -2.918 1.00 0.00 ? 17 GLN A HE22 3 ATOM 3266 N N . GLN A 1 18 ? -6.713 5.504 -1.421 1.00 0.00 ? 18 GLN A N 3 ATOM 3267 C CA . GLN A 1 18 ? -6.005 4.306 -1.855 1.00 0.00 ? 18 GLN A CA 3 ATOM 3268 C C . GLN A 1 18 ? -5.386 3.578 -0.665 1.00 0.00 ? 18 GLN A C 3 ATOM 3269 O O . GLN A 1 18 ? -5.440 2.352 -0.579 1.00 0.00 ? 18 GLN A O 3 ATOM 3270 C CB . GLN A 1 18 ? -4.918 4.668 -2.868 1.00 0.00 ? 18 GLN A CB 3 ATOM 3271 C CG . GLN A 1 18 ? -5.455 5.330 -4.126 1.00 0.00 ? 18 GLN A CG 3 ATOM 3272 C CD . GLN A 1 18 ? -5.887 4.324 -5.175 1.00 0.00 ? 18 GLN A CD 3 ATOM 3273 O OE1 . GLN A 1 18 ? -7.030 3.866 -5.179 1.00 0.00 ? 18 GLN A OE1 3 ATOM 3274 N NE2 . GLN A 1 18 ? -4.973 3.975 -6.073 1.00 0.00 ? 18 GLN A NE2 3 ATOM 3275 H H . GLN A 1 18 ? -6.373 6.383 -1.689 1.00 0.00 ? 18 GLN A H 3 ATOM 3276 H HA . GLN A 1 18 ? -6.721 3.651 -2.328 1.00 0.00 ? 18 GLN A HA 3 ATOM 3277 H HB2 . GLN A 1 18 ? -4.219 5.346 -2.401 1.00 0.00 ? 18 GLN A HB2 3 ATOM 3278 H HB3 . GLN A 1 18 ? -4.396 3.768 -3.156 1.00 0.00 ? 18 GLN A HB3 3 ATOM 3279 H HG2 . GLN A 1 18 ? -6.307 5.939 -3.862 1.00 0.00 ? 18 GLN A HG2 3 ATOM 3280 H HG3 . GLN A 1 18 ? -4.682 5.956 -4.546 1.00 0.00 ? 18 GLN A HG3 3 ATOM 3281 H HE21 . GLN A 1 18 ? -4.083 4.380 -6.008 1.00 0.00 ? 18 GLN A HE21 3 ATOM 3282 H HE22 . GLN A 1 18 ? -5.225 3.326 -6.762 1.00 0.00 ? 18 GLN A HE22 3 ATOM 3283 N N . SER A 1 19 ? -4.799 4.343 0.249 1.00 0.00 ? 19 SER A N 3 ATOM 3284 C CA . SER A 1 19 ? -4.166 3.771 1.432 1.00 0.00 ? 19 SER A CA 3 ATOM 3285 C C . SER A 1 19 ? -5.031 2.667 2.031 1.00 0.00 ? 19 SER A C 3 ATOM 3286 O O . SER A 1 19 ? -4.530 1.613 2.422 1.00 0.00 ? 19 SER A O 3 ATOM 3287 C CB . SER A 1 19 ? -3.911 4.859 2.477 1.00 0.00 ? 19 SER A CB 3 ATOM 3288 O OG . SER A 1 19 ? -5.025 5.007 3.341 1.00 0.00 ? 19 SER A OG 3 ATOM 3289 H H . SER A 1 19 ? -4.788 5.315 0.124 1.00 0.00 ? 19 SER A H 3 ATOM 3290 H HA . SER A 1 19 ? -3.220 3.347 1.129 1.00 0.00 ? 19 SER A HA 3 ATOM 3291 H HB2 . SER A 1 19 ? -3.047 4.594 3.066 1.00 0.00 ? 19 SER A HB2 3 ATOM 3292 H HB3 . SER A 1 19 ? -3.731 5.800 1.977 1.00 0.00 ? 19 SER A HB3 3 ATOM 3293 H HG . SER A 1 19 ? -5.204 5.941 3.475 1.00 0.00 ? 19 SER A HG 3 ATOM 3294 N N . ARG A 1 20 ? -6.335 2.918 2.100 1.00 0.00 ? 20 ARG A N 3 ATOM 3295 C CA . ARG A 1 20 ? -7.271 1.946 2.652 1.00 0.00 ? 20 ARG A CA 3 ATOM 3296 C C . ARG A 1 20 ? -7.221 0.637 1.870 1.00 0.00 ? 20 ARG A C 3 ATOM 3297 O O . ARG A 1 20 ? -7.200 -0.446 2.455 1.00 0.00 ? 20 ARG A O 3 ATOM 3298 C CB . ARG A 1 20 ? -8.694 2.510 2.634 1.00 0.00 ? 20 ARG A CB 3 ATOM 3299 C CG . ARG A 1 20 ? -9.015 3.393 3.829 1.00 0.00 ? 20 ARG A CG 3 ATOM 3300 C CD . ARG A 1 20 ? -10.506 3.670 3.931 1.00 0.00 ? 20 ARG A CD 3 ATOM 3301 N NE . ARG A 1 20 ? -11.271 2.457 4.209 1.00 0.00 ? 20 ARG A NE 3 ATOM 3302 C CZ . ARG A 1 20 ? -12.582 2.356 4.023 1.00 0.00 ? 20 ARG A CZ 3 ATOM 3303 N NH1 . ARG A 1 20 ? -13.271 3.391 3.561 1.00 0.00 ? 20 ARG A NH1 3 ATOM 3304 N NH2 . ARG A 1 20 ? -13.207 1.219 4.298 1.00 0.00 ? 20 ARG A NH2 3 ATOM 3305 H H . ARG A 1 20 ? -6.675 3.777 1.772 1.00 0.00 ? 20 ARG A H 3 ATOM 3306 H HA . ARG A 1 20 ? -6.984 1.753 3.675 1.00 0.00 ? 20 ARG A HA 3 ATOM 3307 H HB2 . ARG A 1 20 ? -8.825 3.096 1.736 1.00 0.00 ? 20 ARG A HB2 3 ATOM 3308 H HB3 . ARG A 1 20 ? -9.393 1.688 2.623 1.00 0.00 ? 20 ARG A HB3 3 ATOM 3309 H HG2 . ARG A 1 20 ? -8.690 2.894 4.730 1.00 0.00 ? 20 ARG A HG2 3 ATOM 3310 H HG3 . ARG A 1 20 ? -8.489 4.330 3.723 1.00 0.00 ? 20 ARG A HG3 3 ATOM 3311 H HD2 . ARG A 1 20 ? -10.673 4.379 4.728 1.00 0.00 ? 20 ARG A HD2 3 ATOM 3312 H HD3 . ARG A 1 20 ? -10.845 4.093 2.997 1.00 0.00 ? 20 ARG A HD3 3 ATOM 3313 H HE . ARG A 1 20 ? -10.782 1.680 4.550 1.00 0.00 ? 20 ARG A HE 3 ATOM 3314 H HH11 . ARG A 1 20 ? -12.803 4.249 3.352 1.00 0.00 ? 20 ARG A HH11 3 ATOM 3315 H HH12 . ARG A 1 20 ? -14.259 3.312 3.421 1.00 0.00 ? 20 ARG A HH12 3 ATOM 3316 H HH21 . ARG A 1 20 ? -12.691 0.437 4.646 1.00 0.00 ? 20 ARG A HH21 3 ATOM 3317 H HH22 . ARG A 1 20 ? -14.194 1.144 4.158 1.00 0.00 ? 20 ARG A HH22 3 ATOM 3318 N N . ARG A 1 21 ? -7.203 0.745 0.546 1.00 0.00 ? 21 ARG A N 3 ATOM 3319 C CA . ARG A 1 21 ? -7.157 -0.430 -0.316 1.00 0.00 ? 21 ARG A CA 3 ATOM 3320 C C . ARG A 1 21 ? -6.043 -1.379 0.117 1.00 0.00 ? 21 ARG A C 3 ATOM 3321 O O . ARG A 1 21 ? -6.292 -2.543 0.429 1.00 0.00 ? 21 ARG A O 3 ATOM 3322 C CB . ARG A 1 21 ? -6.947 -0.012 -1.773 1.00 0.00 ? 21 ARG A CB 3 ATOM 3323 C CG . ARG A 1 21 ? -7.034 -1.168 -2.756 1.00 0.00 ? 21 ARG A CG 3 ATOM 3324 C CD . ARG A 1 21 ? -7.167 -0.672 -4.188 1.00 0.00 ? 21 ARG A CD 3 ATOM 3325 N NE . ARG A 1 21 ? -6.675 -1.651 -5.153 1.00 0.00 ? 21 ARG A NE 3 ATOM 3326 C CZ . ARG A 1 21 ? -6.684 -1.455 -6.467 1.00 0.00 ? 21 ARG A CZ 3 ATOM 3327 N NH1 . ARG A 1 21 ? -7.158 -0.323 -6.969 1.00 0.00 ? 21 ARG A NH1 3 ATOM 3328 N NH2 . ARG A 1 21 ? -6.218 -2.393 -7.282 1.00 0.00 ? 21 ARG A NH2 3 ATOM 3329 H H . ARG A 1 21 ? -7.221 1.637 0.138 1.00 0.00 ? 21 ARG A H 3 ATOM 3330 H HA . ARG A 1 21 ? -8.103 -0.941 -0.230 1.00 0.00 ? 21 ARG A HA 3 ATOM 3331 H HB2 . ARG A 1 21 ? -7.701 0.715 -2.039 1.00 0.00 ? 21 ARG A HB2 3 ATOM 3332 H HB3 . ARG A 1 21 ? -5.972 0.441 -1.868 1.00 0.00 ? 21 ARG A HB3 3 ATOM 3333 H HG2 . ARG A 1 21 ? -6.137 -1.764 -2.676 1.00 0.00 ? 21 ARG A HG2 3 ATOM 3334 H HG3 . ARG A 1 21 ? -7.894 -1.773 -2.511 1.00 0.00 ? 21 ARG A HG3 3 ATOM 3335 H HD2 . ARG A 1 21 ? -8.209 -0.474 -4.390 1.00 0.00 ? 21 ARG A HD2 3 ATOM 3336 H HD3 . ARG A 1 21 ? -6.600 0.241 -4.292 1.00 0.00 ? 21 ARG A HD3 3 ATOM 3337 H HE . ARG A 1 21 ? -6.320 -2.494 -4.804 1.00 0.00 ? 21 ARG A HE 3 ATOM 3338 H HH11 . ARG A 1 21 ? -7.509 0.386 -6.358 1.00 0.00 ? 21 ARG A HH11 3 ATOM 3339 H HH12 . ARG A 1 21 ? -7.163 -0.178 -7.959 1.00 0.00 ? 21 ARG A HH12 3 ATOM 3340 H HH21 . ARG A 1 21 ? -5.860 -3.248 -6.908 1.00 0.00 ? 21 ARG A HH21 3 ATOM 3341 H HH22 . ARG A 1 21 ? -6.226 -2.246 -8.271 1.00 0.00 ? 21 ARG A HH22 3 ATOM 3342 N N . ALA A 1 22 ? -4.814 -0.872 0.134 1.00 0.00 ? 22 ALA A N 3 ATOM 3343 C CA . ALA A 1 22 ? -3.663 -1.674 0.530 1.00 0.00 ? 22 ALA A CA 3 ATOM 3344 C C . ALA A 1 22 ? -3.947 -2.446 1.814 1.00 0.00 ? 22 ALA A C 3 ATOM 3345 O O . ALA A 1 22 ? -3.543 -3.600 1.958 1.00 0.00 ? 22 ALA A O 3 ATOM 3346 C CB . ALA A 1 22 ? -2.438 -0.788 0.704 1.00 0.00 ? 22 ALA A CB 3 ATOM 3347 H H . ALA A 1 22 ? -4.679 0.063 -0.126 1.00 0.00 ? 22 ALA A H 3 ATOM 3348 H HA . ALA A 1 22 ? -3.458 -2.378 -0.264 1.00 0.00 ? 22 ALA A HA 3 ATOM 3349 H HB1 . ALA A 1 22 ? -2.020 -0.944 1.688 1.00 0.00 ? 22 ALA A HB1 3 ATOM 3350 H HB2 . ALA A 1 22 ? -1.703 -1.040 -0.045 1.00 0.00 ? 22 ALA A HB2 3 ATOM 3351 H HB3 . ALA A 1 22 ? -2.724 0.247 0.594 1.00 0.00 ? 22 ALA A HB3 3 ATOM 3352 N N . ASP A 1 23 ? -4.644 -1.802 2.744 1.00 0.00 ? 23 ASP A N 3 ATOM 3353 C CA . ASP A 1 23 ? -4.983 -2.428 4.016 1.00 0.00 ? 23 ASP A CA 3 ATOM 3354 C C . ASP A 1 23 ? -5.998 -3.549 3.817 1.00 0.00 ? 23 ASP A C 3 ATOM 3355 O O . ASP A 1 23 ? -5.761 -4.692 4.211 1.00 0.00 ? 23 ASP A O 3 ATOM 3356 C CB . ASP A 1 23 ? -5.538 -1.387 4.990 1.00 0.00 ? 23 ASP A CB 3 ATOM 3357 C CG . ASP A 1 23 ? -4.452 -0.732 5.819 1.00 0.00 ? 23 ASP A CG 3 ATOM 3358 O OD1 . ASP A 1 23 ? -3.965 -1.375 6.773 1.00 0.00 ? 23 ASP A OD1 3 ATOM 3359 O OD2 . ASP A 1 23 ? -4.088 0.424 5.516 1.00 0.00 ? 23 ASP A OD2 3 ATOM 3360 H H . ASP A 1 23 ? -4.938 -0.883 2.570 1.00 0.00 ? 23 ASP A H 3 ATOM 3361 H HA . ASP A 1 23 ? -4.078 -2.848 4.430 1.00 0.00 ? 23 ASP A HA 3 ATOM 3362 H HB2 . ASP A 1 23 ? -6.051 -0.618 4.430 1.00 0.00 ? 23 ASP A HB2 3 ATOM 3363 H HB3 . ASP A 1 23 ? -6.237 -1.867 5.658 1.00 0.00 ? 23 ASP A HB3 3 ATOM 3364 N N . ARG A 1 24 ? -7.128 -3.215 3.204 1.00 0.00 ? 24 ARG A N 3 ATOM 3365 C CA . ARG A 1 24 ? -8.180 -4.193 2.954 1.00 0.00 ? 24 ARG A CA 3 ATOM 3366 C C . ARG A 1 24 ? -7.627 -5.412 2.223 1.00 0.00 ? 24 ARG A C 3 ATOM 3367 O O . ARG A 1 24 ? -8.108 -6.531 2.406 1.00 0.00 ? 24 ARG A O 3 ATOM 3368 C CB . ARG A 1 24 ? -9.309 -3.563 2.136 1.00 0.00 ? 24 ARG A CB 3 ATOM 3369 C CG . ARG A 1 24 ? -10.213 -2.650 2.948 1.00 0.00 ? 24 ARG A CG 3 ATOM 3370 C CD . ARG A 1 24 ? -11.104 -3.444 3.891 1.00 0.00 ? 24 ARG A CD 3 ATOM 3371 N NE . ARG A 1 24 ? -10.474 -3.654 5.192 1.00 0.00 ? 24 ARG A NE 3 ATOM 3372 C CZ . ARG A 1 24 ? -11.138 -4.040 6.276 1.00 0.00 ? 24 ARG A CZ 3 ATOM 3373 N NH1 . ARG A 1 24 ? -12.445 -4.256 6.215 1.00 0.00 ? 24 ARG A NH1 3 ATOM 3374 N NH2 . ARG A 1 24 ? -10.494 -4.210 7.423 1.00 0.00 ? 24 ARG A NH2 3 ATOM 3375 H H . ARG A 1 24 ? -7.259 -2.288 2.913 1.00 0.00 ? 24 ARG A H 3 ATOM 3376 H HA . ARG A 1 24 ? -8.573 -4.509 3.909 1.00 0.00 ? 24 ARG A HA 3 ATOM 3377 H HB2 . ARG A 1 24 ? -8.876 -2.983 1.334 1.00 0.00 ? 24 ARG A HB2 3 ATOM 3378 H HB3 . ARG A 1 24 ? -9.914 -4.350 1.714 1.00 0.00 ? 24 ARG A HB3 3 ATOM 3379 H HG2 . ARG A 1 24 ? -9.601 -1.977 3.531 1.00 0.00 ? 24 ARG A HG2 3 ATOM 3380 H HG3 . ARG A 1 24 ? -10.834 -2.081 2.273 1.00 0.00 ? 24 ARG A HG3 3 ATOM 3381 H HD2 . ARG A 1 24 ? -12.028 -2.903 4.033 1.00 0.00 ? 24 ARG A HD2 3 ATOM 3382 H HD3 . ARG A 1 24 ? -11.314 -4.403 3.443 1.00 0.00 ? 24 ARG A HD3 3 ATOM 3383 H HE . ARG A 1 24 ? -9.509 -3.500 5.259 1.00 0.00 ? 24 ARG A HE 3 ATOM 3384 H HH11 . ARG A 1 24 ? -12.932 -4.129 5.351 1.00 0.00 ? 24 ARG A HH11 3 ATOM 3385 H HH12 . ARG A 1 24 ? -12.942 -4.547 7.033 1.00 0.00 ? 24 ARG A HH12 3 ATOM 3386 H HH21 . ARG A 1 24 ? -9.509 -4.049 7.473 1.00 0.00 ? 24 ARG A HH21 3 ATOM 3387 H HH22 . ARG A 1 24 ? -10.994 -4.500 8.239 1.00 0.00 ? 24 ARG A HH22 3 ATOM 3388 N N . LEU A 1 25 ? -6.614 -5.188 1.393 1.00 0.00 ? 25 LEU A N 3 ATOM 3389 C CA . LEU A 1 25 ? -5.995 -6.268 0.632 1.00 0.00 ? 25 LEU A CA 3 ATOM 3390 C C . LEU A 1 25 ? -5.114 -7.131 1.530 1.00 0.00 ? 25 LEU A C 3 ATOM 3391 O O . LEU A 1 25 ? -5.111 -8.358 1.421 1.00 0.00 ? 25 LEU A O 3 ATOM 3392 C CB . LEU A 1 25 ? -5.164 -5.697 -0.518 1.00 0.00 ? 25 LEU A CB 3 ATOM 3393 C CG . LEU A 1 25 ? -5.950 -5.009 -1.635 1.00 0.00 ? 25 LEU A CG 3 ATOM 3394 C CD1 . LEU A 1 25 ? -5.044 -4.080 -2.430 1.00 0.00 ? 25 LEU A CD1 3 ATOM 3395 C CD2 . LEU A 1 25 ? -6.593 -6.041 -2.550 1.00 0.00 ? 25 LEU A CD2 3 ATOM 3396 H H . LEU A 1 25 ? -6.274 -4.276 1.288 1.00 0.00 ? 25 LEU A H 3 ATOM 3397 H HA . LEU A 1 25 ? -6.784 -6.882 0.226 1.00 0.00 ? 25 LEU A HA 3 ATOM 3398 H HB2 . LEU A 1 25 ? -4.478 -4.975 -0.104 1.00 0.00 ? 25 LEU A HB2 3 ATOM 3399 H HB3 . LEU A 1 25 ? -4.606 -6.511 -0.958 1.00 0.00 ? 25 LEU A HB3 3 ATOM 3400 H HG . LEU A 1 25 ? -6.737 -4.411 -1.198 1.00 0.00 ? 25 LEU A HG 3 ATOM 3401 H HD11 . LEU A 1 25 ? -4.148 -4.609 -2.716 1.00 0.00 ? 25 LEU A HD11 3 ATOM 3402 H HD12 . LEU A 1 25 ? -4.781 -3.227 -1.823 1.00 0.00 ? 25 LEU A HD12 3 ATOM 3403 H HD13 . LEU A 1 25 ? -5.563 -3.744 -3.316 1.00 0.00 ? 25 LEU A HD13 3 ATOM 3404 H HD21 . LEU A 1 25 ? -6.259 -5.880 -3.564 1.00 0.00 ? 25 LEU A HD21 3 ATOM 3405 H HD22 . LEU A 1 25 ? -7.668 -5.942 -2.504 1.00 0.00 ? 25 LEU A HD22 3 ATOM 3406 H HD23 . LEU A 1 25 ? -6.308 -7.032 -2.230 1.00 0.00 ? 25 LEU A HD23 3 ATOM 3407 N N . LEU A 1 26 ? -4.370 -6.483 2.420 1.00 0.00 ? 26 LEU A N 3 ATOM 3408 C CA . LEU A 1 26 ? -3.487 -7.191 3.340 1.00 0.00 ? 26 LEU A CA 3 ATOM 3409 C C . LEU A 1 26 ? -4.273 -8.174 4.202 1.00 0.00 ? 26 LEU A C 3 ATOM 3410 O O . LEU A 1 26 ? -3.803 -9.274 4.491 1.00 0.00 ? 26 LEU A O 3 ATOM 3411 C CB . LEU A 1 26 ? -2.742 -6.195 4.231 1.00 0.00 ? 26 LEU A CB 3 ATOM 3412 C CG . LEU A 1 26 ? -2.223 -6.743 5.561 1.00 0.00 ? 26 LEU A CG 3 ATOM 3413 C CD1 . LEU A 1 26 ? -1.146 -7.790 5.323 1.00 0.00 ? 26 LEU A CD1 3 ATOM 3414 C CD2 . LEU A 1 26 ? -1.689 -5.614 6.431 1.00 0.00 ? 26 LEU A CD2 3 ATOM 3415 H H . LEU A 1 26 ? -4.416 -5.505 2.460 1.00 0.00 ? 26 LEU A H 3 ATOM 3416 H HA . LEU A 1 26 ? -2.768 -7.742 2.751 1.00 0.00 ? 26 LEU A HA 3 ATOM 3417 H HB2 . LEU A 1 26 ? -1.896 -5.822 3.675 1.00 0.00 ? 26 LEU A HB2 3 ATOM 3418 H HB3 . LEU A 1 26 ? -3.417 -5.379 4.449 1.00 0.00 ? 26 LEU A HB3 3 ATOM 3419 H HG . LEU A 1 26 ? -3.038 -7.218 6.090 1.00 0.00 ? 26 LEU A HG 3 ATOM 3420 H HD11 . LEU A 1 26 ? -1.390 -8.688 5.869 1.00 0.00 ? 26 LEU A HD11 3 ATOM 3421 H HD12 . LEU A 1 26 ? -0.193 -7.410 5.662 1.00 0.00 ? 26 LEU A HD12 3 ATOM 3422 H HD13 . LEU A 1 26 ? -1.088 -8.014 4.268 1.00 0.00 ? 26 LEU A HD13 3 ATOM 3423 H HD21 . LEU A 1 26 ? -1.130 -4.922 5.818 1.00 0.00 ? 26 LEU A HD21 3 ATOM 3424 H HD22 . LEU A 1 26 ? -1.043 -6.023 7.194 1.00 0.00 ? 26 LEU A HD22 3 ATOM 3425 H HD23 . LEU A 1 26 ? -2.515 -5.097 6.896 1.00 0.00 ? 26 LEU A HD23 3 ATOM 3426 N N . ALA A 1 27 ? -5.472 -7.770 4.607 1.00 0.00 ? 27 ALA A N 3 ATOM 3427 C CA . ALA A 1 27 ? -6.325 -8.616 5.432 1.00 0.00 ? 27 ALA A CA 3 ATOM 3428 C C . ALA A 1 27 ? -6.781 -9.851 4.663 1.00 0.00 ? 27 ALA A C 3 ATOM 3429 O O . ALA A 1 27 ? -6.997 -10.913 5.246 1.00 0.00 ? 27 ALA A O 3 ATOM 3430 C CB . ALA A 1 27 ? -7.528 -7.828 5.930 1.00 0.00 ? 27 ALA A CB 3 ATOM 3431 H H . ALA A 1 27 ? -5.792 -6.882 4.343 1.00 0.00 ? 27 ALA A H 3 ATOM 3432 H HA . ALA A 1 27 ? -5.751 -8.932 6.291 1.00 0.00 ? 27 ALA A HA 3 ATOM 3433 H HB1 . ALA A 1 27 ? -8.394 -8.473 5.955 1.00 0.00 ? 27 ALA A HB1 3 ATOM 3434 H HB2 . ALA A 1 27 ? -7.327 -7.455 6.923 1.00 0.00 ? 27 ALA A HB2 3 ATOM 3435 H HB3 . ALA A 1 27 ? -7.715 -6.999 5.264 1.00 0.00 ? 27 ALA A HB3 3 ATOM 3436 N N . ALA A 1 28 ? -6.928 -9.704 3.350 1.00 0.00 ? 28 ALA A N 3 ATOM 3437 C CA . ALA A 1 28 ? -7.358 -10.809 2.501 1.00 0.00 ? 28 ALA A CA 3 ATOM 3438 C C . ALA A 1 28 ? -6.163 -11.615 2.002 1.00 0.00 ? 28 ALA A C 3 ATOM 3439 O O . ALA A 1 28 ? -6.322 -12.587 1.266 1.00 0.00 ? 28 ALA A O 3 ATOM 3440 C CB . ALA A 1 28 ? -8.172 -10.286 1.327 1.00 0.00 ? 28 ALA A CB 3 ATOM 3441 H H . ALA A 1 28 ? -6.741 -8.833 2.943 1.00 0.00 ? 28 ALA A H 3 ATOM 3442 H HA . ALA A 1 28 ? -7.994 -11.454 3.089 1.00 0.00 ? 28 ALA A HA 3 ATOM 3443 H HB1 . ALA A 1 28 ? -9.083 -9.835 1.694 1.00 0.00 ? 28 ALA A HB1 3 ATOM 3444 H HB2 . ALA A 1 28 ? -7.595 -9.548 0.789 1.00 0.00 ? 28 ALA A HB2 3 ATOM 3445 H HB3 . ALA A 1 28 ? -8.416 -11.104 0.666 1.00 0.00 ? 28 ALA A HB3 3 ATOM 3446 N N . GLY A 1 29 ? -4.966 -11.202 2.407 1.00 0.00 ? 29 GLY A N 3 ATOM 3447 C CA . GLY A 1 29 ? -3.762 -11.897 1.990 1.00 0.00 ? 29 GLY A CA 3 ATOM 3448 C C . GLY A 1 29 ? -3.287 -11.462 0.618 1.00 0.00 ? 29 GLY A C 3 ATOM 3449 O O . GLY A 1 29 ? -2.397 -12.081 0.035 1.00 0.00 ? 29 GLY A O 3 ATOM 3450 H H . GLY A 1 29 ? -4.900 -10.420 2.994 1.00 0.00 ? 29 GLY A H 3 ATOM 3451 H HA2 . GLY A 1 29 ? -2.980 -11.702 2.709 1.00 0.00 ? 29 GLY A HA2 3 ATOM 3452 H HA3 . GLY A 1 29 ? -3.961 -12.958 1.969 1.00 0.00 ? 29 GLY A HA3 3 ATOM 3453 N N . LYS A 1 30 ? -3.884 -10.394 0.098 1.00 0.00 ? 30 LYS A N 3 ATOM 3454 C CA . LYS A 1 30 ? -3.519 -9.876 -1.215 1.00 0.00 ? 30 LYS A CA 3 ATOM 3455 C C . LYS A 1 30 ? -2.355 -8.896 -1.108 1.00 0.00 ? 30 LYS A C 3 ATOM 3456 O O . LYS A 1 30 ? -2.515 -7.699 -1.350 1.00 0.00 ? 30 LYS A O 3 ATOM 3457 C CB . LYS A 1 30 ? -4.720 -9.190 -1.868 1.00 0.00 ? 30 LYS A CB 3 ATOM 3458 C CG . LYS A 1 30 ? -5.848 -10.144 -2.222 1.00 0.00 ? 30 LYS A CG 3 ATOM 3459 C CD . LYS A 1 30 ? -5.621 -10.797 -3.575 1.00 0.00 ? 30 LYS A CD 3 ATOM 3460 C CE . LYS A 1 30 ? -6.930 -11.263 -4.195 1.00 0.00 ? 30 LYS A CE 3 ATOM 3461 N NZ . LYS A 1 30 ? -6.732 -12.435 -5.092 1.00 0.00 ? 30 LYS A NZ 3 ATOM 3462 H H . LYS A 1 30 ? -4.588 -9.943 0.611 1.00 0.00 ? 30 LYS A H 3 ATOM 3463 H HA . LYS A 1 30 ? -3.215 -10.711 -1.828 1.00 0.00 ? 30 LYS A HA 3 ATOM 3464 H HB2 . LYS A 1 30 ? -5.107 -8.445 -1.188 1.00 0.00 ? 30 LYS A HB2 3 ATOM 3465 H HB3 . LYS A 1 30 ? -4.392 -8.701 -2.774 1.00 0.00 ? 30 LYS A HB3 3 ATOM 3466 H HG2 . LYS A 1 30 ? -5.906 -10.914 -1.467 1.00 0.00 ? 30 LYS A HG2 3 ATOM 3467 H HG3 . LYS A 1 30 ? -6.778 -9.593 -2.249 1.00 0.00 ? 30 LYS A HG3 3 ATOM 3468 H HD2 . LYS A 1 30 ? -5.156 -10.082 -4.237 1.00 0.00 ? 30 LYS A HD2 3 ATOM 3469 H HD3 . LYS A 1 30 ? -4.969 -11.650 -3.448 1.00 0.00 ? 30 LYS A HD3 3 ATOM 3470 H HE2 . LYS A 1 30 ? -7.610 -11.537 -3.404 1.00 0.00 ? 30 LYS A HE2 3 ATOM 3471 H HE3 . LYS A 1 30 ? -7.351 -10.449 -4.767 1.00 0.00 ? 30 LYS A HE3 3 ATOM 3472 H HZ1 . LYS A 1 30 ? -7.623 -12.961 -5.193 1.00 0.00 ? 30 LYS A HZ1 3 ATOM 3473 H HZ2 . LYS A 1 30 ? -6.010 -13.070 -4.696 1.00 0.00 ? 30 LYS A HZ2 3 ATOM 3474 H HZ3 . LYS A 1 30 ? -6.421 -12.117 -6.032 1.00 0.00 ? 30 LYS A HZ3 3 ATOM 3475 N N . TYR A 1 31 ? -1.185 -9.410 -0.746 1.00 0.00 ? 31 TYR A N 3 ATOM 3476 C CA . TYR A 1 31 ? 0.005 -8.579 -0.607 1.00 0.00 ? 31 TYR A CA 3 ATOM 3477 C C . TYR A 1 31 ? 0.277 -7.797 -1.889 1.00 0.00 ? 31 TYR A C 3 ATOM 3478 O O . TYR A 1 31 ? 0.109 -6.579 -1.932 1.00 0.00 ? 31 TYR A O 3 ATOM 3479 C CB . TYR A 1 31 ? 1.217 -9.443 -0.256 1.00 0.00 ? 31 TYR A CB 3 ATOM 3480 C CG . TYR A 1 31 ? 1.007 -10.317 0.960 1.00 0.00 ? 31 TYR A CG 3 ATOM 3481 C CD1 . TYR A 1 31 ? 1.135 -9.799 2.242 1.00 0.00 ? 31 TYR A CD1 3 ATOM 3482 C CD2 . TYR A 1 31 ? 0.681 -11.661 0.825 1.00 0.00 ? 31 TYR A CD2 3 ATOM 3483 C CE1 . TYR A 1 31 ? 0.944 -10.594 3.356 1.00 0.00 ? 31 TYR A CE1 3 ATOM 3484 C CE2 . TYR A 1 31 ? 0.487 -12.463 1.933 1.00 0.00 ? 31 TYR A CE2 3 ATOM 3485 C CZ . TYR A 1 31 ? 0.620 -11.925 3.196 1.00 0.00 ? 31 TYR A CZ 3 ATOM 3486 O OH . TYR A 1 31 ? 0.429 -12.721 4.303 1.00 0.00 ? 31 TYR A OH 3 ATOM 3487 H H . TYR A 1 31 ? -1.120 -10.371 -0.566 1.00 0.00 ? 31 TYR A H 3 ATOM 3488 H HA . TYR A 1 31 ? -0.171 -7.879 0.197 1.00 0.00 ? 31 TYR A HA 3 ATOM 3489 H HB2 . TYR A 1 31 ? 1.446 -10.087 -1.091 1.00 0.00 ? 31 TYR A HB2 3 ATOM 3490 H HB3 . TYR A 1 31 ? 2.064 -8.800 -0.061 1.00 0.00 ? 31 TYR A HB3 3 ATOM 3491 H HD1 . TYR A 1 31 ? 1.389 -8.756 2.364 1.00 0.00 ? 31 TYR A HD1 3 ATOM 3492 H HD2 . TYR A 1 31 ? 0.578 -12.079 -0.166 1.00 0.00 ? 31 TYR A HD2 3 ATOM 3493 H HE1 . TYR A 1 31 ? 1.048 -10.173 4.346 1.00 0.00 ? 31 TYR A HE1 3 ATOM 3494 H HE2 . TYR A 1 31 ? 0.234 -13.505 1.809 1.00 0.00 ? 31 TYR A HE2 3 ATOM 3495 H HH . TYR A 1 31 ? -0.503 -12.729 4.533 1.00 0.00 ? 31 TYR A HH 3 ATOM 3496 N N . GLU A 1 32 ? 0.696 -8.509 -2.930 1.00 0.00 ? 32 GLU A N 3 ATOM 3497 C CA . GLU A 1 32 ? 0.992 -7.882 -4.213 1.00 0.00 ? 32 GLU A CA 3 ATOM 3498 C C . GLU A 1 32 ? 0.028 -6.732 -4.492 1.00 0.00 ? 32 GLU A C 3 ATOM 3499 O O . GLU A 1 32 ? 0.447 -5.590 -4.679 1.00 0.00 ? 32 GLU A O 3 ATOM 3500 C CB . GLU A 1 32 ? 0.911 -8.914 -5.340 1.00 0.00 ? 32 GLU A CB 3 ATOM 3501 C CG . GLU A 1 32 ? 1.450 -8.409 -6.668 1.00 0.00 ? 32 GLU A CG 3 ATOM 3502 C CD . GLU A 1 32 ? 0.456 -7.532 -7.405 1.00 0.00 ? 32 GLU A CD 3 ATOM 3503 O OE1 . GLU A 1 32 ? -0.762 -7.714 -7.202 1.00 0.00 ? 32 GLU A OE1 3 ATOM 3504 O OE2 . GLU A 1 32 ? 0.898 -6.663 -8.186 1.00 0.00 ? 32 GLU A OE2 3 ATOM 3505 H H . GLU A 1 32 ? 0.811 -9.477 -2.833 1.00 0.00 ? 32 GLU A H 3 ATOM 3506 H HA . GLU A 1 32 ? 1.997 -7.491 -4.168 1.00 0.00 ? 32 GLU A HA 3 ATOM 3507 H HB2 . GLU A 1 32 ? 1.477 -9.788 -5.054 1.00 0.00 ? 32 GLU A HB2 3 ATOM 3508 H HB3 . GLU A 1 32 ? -0.123 -9.196 -5.480 1.00 0.00 ? 32 GLU A HB3 3 ATOM 3509 H HG2 . GLU A 1 32 ? 2.345 -7.834 -6.483 1.00 0.00 ? 32 GLU A HG2 3 ATOM 3510 H HG3 . GLU A 1 32 ? 1.690 -9.257 -7.291 1.00 0.00 ? 32 GLU A HG3 3 ATOM 3511 N N . GLU A 1 33 ? -1.264 -7.043 -4.518 1.00 0.00 ? 33 GLU A N 3 ATOM 3512 C CA . GLU A 1 33 ? -2.286 -6.036 -4.774 1.00 0.00 ? 33 GLU A CA 3 ATOM 3513 C C . GLU A 1 33 ? -1.995 -4.754 -3.999 1.00 0.00 ? 33 GLU A C 3 ATOM 3514 O O . GLU A 1 33 ? -2.083 -3.654 -4.542 1.00 0.00 ? 33 GLU A O 3 ATOM 3515 C CB . GLU A 1 33 ? -3.669 -6.571 -4.395 1.00 0.00 ? 33 GLU A CB 3 ATOM 3516 C CG . GLU A 1 33 ? -4.098 -7.780 -5.210 1.00 0.00 ? 33 GLU A CG 3 ATOM 3517 C CD . GLU A 1 33 ? -4.322 -7.448 -6.672 1.00 0.00 ? 33 GLU A CD 3 ATOM 3518 O OE1 . GLU A 1 33 ? -5.180 -6.588 -6.960 1.00 0.00 ? 33 GLU A OE1 3 ATOM 3519 O OE2 . GLU A 1 33 ? -3.639 -8.048 -7.529 1.00 0.00 ? 33 GLU A OE2 3 ATOM 3520 H H . GLU A 1 33 ? -1.536 -7.971 -4.361 1.00 0.00 ? 33 GLU A H 3 ATOM 3521 H HA . GLU A 1 33 ? -2.275 -5.813 -5.831 1.00 0.00 ? 33 GLU A HA 3 ATOM 3522 H HB2 . GLU A 1 33 ? -3.659 -6.851 -3.351 1.00 0.00 ? 33 GLU A HB2 3 ATOM 3523 H HB3 . GLU A 1 33 ? -4.397 -5.788 -4.541 1.00 0.00 ? 33 GLU A HB3 3 ATOM 3524 H HG2 . GLU A 1 33 ? -3.329 -8.535 -5.142 1.00 0.00 ? 33 GLU A HG2 3 ATOM 3525 H HG3 . GLU A 1 33 ? -5.019 -8.167 -4.798 1.00 0.00 ? 33 GLU A HG3 3 ATOM 3526 N N . ALA A 1 34 ? -1.648 -4.907 -2.725 1.00 0.00 ? 34 ALA A N 3 ATOM 3527 C CA . ALA A 1 34 ? -1.342 -3.763 -1.874 1.00 0.00 ? 34 ALA A CA 3 ATOM 3528 C C . ALA A 1 34 ? -0.030 -3.106 -2.290 1.00 0.00 ? 34 ALA A C 3 ATOM 3529 O O . ALA A 1 34 ? 0.069 -1.880 -2.349 1.00 0.00 ? 34 ALA A O 3 ATOM 3530 C CB . ALA A 1 34 ? -1.281 -4.192 -0.416 1.00 0.00 ? 34 ALA A CB 3 ATOM 3531 H H . ALA A 1 34 ? -1.595 -5.810 -2.349 1.00 0.00 ? 34 ALA A H 3 ATOM 3532 H HA . ALA A 1 34 ? -2.142 -3.045 -1.980 1.00 0.00 ? 34 ALA A HA 3 ATOM 3533 H HB1 . ALA A 1 34 ? -0.254 -4.183 -0.081 1.00 0.00 ? 34 ALA A HB1 3 ATOM 3534 H HB2 . ALA A 1 34 ? -1.862 -3.507 0.185 1.00 0.00 ? 34 ALA A HB2 3 ATOM 3535 H HB3 . ALA A 1 34 ? -1.683 -5.189 -0.317 1.00 0.00 ? 34 ALA A HB3 3 ATOM 3536 N N . ILE A 1 35 ? 0.974 -3.928 -2.575 1.00 0.00 ? 35 ILE A N 3 ATOM 3537 C CA . ILE A 1 35 ? 2.279 -3.425 -2.985 1.00 0.00 ? 35 ILE A CA 3 ATOM 3538 C C . ILE A 1 35 ? 2.141 -2.339 -4.048 1.00 0.00 ? 35 ILE A C 3 ATOM 3539 O O . ILE A 1 35 ? 2.629 -1.222 -3.875 1.00 0.00 ? 35 ILE A O 3 ATOM 3540 C CB . ILE A 1 35 ? 3.170 -4.554 -3.535 1.00 0.00 ? 35 ILE A CB 3 ATOM 3541 C CG1 . ILE A 1 35 ? 3.426 -5.604 -2.451 1.00 0.00 ? 35 ILE A CG1 3 ATOM 3542 C CG2 . ILE A 1 35 ? 4.485 -3.988 -4.051 1.00 0.00 ? 35 ILE A CG2 3 ATOM 3543 C CD1 . ILE A 1 35 ? 4.164 -6.825 -2.955 1.00 0.00 ? 35 ILE A CD1 3 ATOM 3544 H H . ILE A 1 35 ? 0.833 -4.895 -2.510 1.00 0.00 ? 35 ILE A H 3 ATOM 3545 H HA . ILE A 1 35 ? 2.762 -3.003 -2.115 1.00 0.00 ? 35 ILE A HA 3 ATOM 3546 H HB . ILE A 1 35 ? 2.656 -5.018 -4.362 1.00 0.00 ? 35 ILE A HB 3 ATOM 3547 H HG12 . ILE A 1 35 ? 4.015 -5.163 -1.663 1.00 0.00 ? 35 ILE A HG12 3 ATOM 3548 H HG13 . ILE A 1 35 ? 2.478 -5.932 -2.048 1.00 0.00 ? 35 ILE A HG13 3 ATOM 3549 H HG21 . ILE A 1 35 ? 5.287 -4.280 -3.390 1.00 0.00 ? 35 ILE A HG21 3 ATOM 3550 H HG22 . ILE A 1 35 ? 4.677 -4.373 -5.041 1.00 0.00 ? 35 ILE A HG22 3 ATOM 3551 H HG23 . ILE A 1 35 ? 4.423 -2.911 -4.089 1.00 0.00 ? 35 ILE A HG23 3 ATOM 3552 H HD11 . ILE A 1 35 ? 5.170 -6.825 -2.563 1.00 0.00 ? 35 ILE A HD11 3 ATOM 3553 H HD12 . ILE A 1 35 ? 3.650 -7.717 -2.630 1.00 0.00 ? 35 ILE A HD12 3 ATOM 3554 H HD13 . ILE A 1 35 ? 4.199 -6.804 -4.035 1.00 0.00 ? 35 ILE A HD13 3 ATOM 3555 N N . SER A 1 36 ? 1.472 -2.675 -5.146 1.00 0.00 ? 36 SER A N 3 ATOM 3556 C CA . SER A 1 36 ? 1.270 -1.730 -6.237 1.00 0.00 ? 36 SER A CA 3 ATOM 3557 C C . SER A 1 36 ? 0.473 -0.518 -5.766 1.00 0.00 ? 36 SER A C 3 ATOM 3558 O O . SER A 1 36 ? 0.945 0.617 -5.841 1.00 0.00 ? 36 SER A O 3 ATOM 3559 C CB . SER A 1 36 ? 0.548 -2.409 -7.402 1.00 0.00 ? 36 SER A CB 3 ATOM 3560 O OG . SER A 1 36 ? -0.650 -3.029 -6.967 1.00 0.00 ? 36 SER A OG 3 ATOM 3561 H H . SER A 1 36 ? 1.106 -3.581 -5.224 1.00 0.00 ? 36 SER A H 3 ATOM 3562 H HA . SER A 1 36 ? 2.242 -1.398 -6.572 1.00 0.00 ? 36 SER A HA 3 ATOM 3563 H HB2 . SER A 1 36 ? 0.305 -1.671 -8.152 1.00 0.00 ? 36 SER A HB2 3 ATOM 3564 H HB3 . SER A 1 36 ? 1.193 -3.162 -7.832 1.00 0.00 ? 36 SER A HB3 3 ATOM 3565 H HG . SER A 1 36 ? -1.166 -3.301 -7.730 1.00 0.00 ? 36 SER A HG 3 ATOM 3566 N N . CYS A 1 37 ? -0.739 -0.767 -5.282 1.00 0.00 ? 37 CYS A N 3 ATOM 3567 C CA . CYS A 1 37 ? -1.605 0.303 -4.799 1.00 0.00 ? 37 CYS A CA 3 ATOM 3568 C C . CYS A 1 37 ? -0.786 1.408 -4.138 1.00 0.00 ? 37 CYS A C 3 ATOM 3569 O O . CYS A 1 37 ? -1.134 2.586 -4.221 1.00 0.00 ? 37 CYS A O 3 ATOM 3570 C CB . CYS A 1 37 ? -2.631 -0.250 -3.810 1.00 0.00 ? 37 CYS A CB 3 ATOM 3571 S SG . CYS A 1 37 ? -3.659 1.015 -3.027 1.00 0.00 ? 37 CYS A SG 3 ATOM 3572 H H . CYS A 1 37 ? -1.060 -1.692 -5.249 1.00 0.00 ? 37 CYS A H 3 ATOM 3573 H HA . CYS A 1 37 ? -2.124 0.717 -5.650 1.00 0.00 ? 37 CYS A HA 3 ATOM 3574 H HB2 . CYS A 1 37 ? -3.289 -0.932 -4.328 1.00 0.00 ? 37 CYS A HB2 3 ATOM 3575 H HB3 . CYS A 1 37 ? -2.113 -0.785 -3.027 1.00 0.00 ? 37 CYS A HB3 3 ATOM 3576 H HG . CYS A 1 37 ? -3.862 1.980 -3.912 1.00 0.00 ? 37 CYS A HG 3 ATOM 3577 N N . HIS A 1 38 ? 0.301 1.019 -3.481 1.00 0.00 ? 38 HIS A N 3 ATOM 3578 C CA . HIS A 1 38 ? 1.169 1.976 -2.804 1.00 0.00 ? 38 HIS A CA 3 ATOM 3579 C C . HIS A 1 38 ? 2.047 2.717 -3.807 1.00 0.00 ? 38 HIS A C 3 ATOM 3580 O O . HIS A 1 38 ? 2.070 3.948 -3.836 1.00 0.00 ? 38 HIS A O 3 ATOM 3581 C CB . HIS A 1 38 ? 2.044 1.263 -1.772 1.00 0.00 ? 38 HIS A CB 3 ATOM 3582 C CG . HIS A 1 38 ? 1.286 0.785 -0.572 1.00 0.00 ? 38 HIS A CG 3 ATOM 3583 N ND1 . HIS A 1 38 ? 0.671 1.640 0.319 1.00 0.00 ? 38 HIS A ND1 3 ATOM 3584 C CD2 . HIS A 1 38 ? 1.043 -0.467 -0.118 1.00 0.00 ? 38 HIS A CD2 3 ATOM 3585 C CE1 . HIS A 1 38 ? 0.085 0.934 1.270 1.00 0.00 ? 38 HIS A CE1 3 ATOM 3586 N NE2 . HIS A 1 38 ? 0.295 -0.347 1.028 1.00 0.00 ? 38 HIS A NE2 3 ATOM 3587 H H . HIS A 1 38 ? 0.526 0.065 -3.450 1.00 0.00 ? 38 HIS A H 3 ATOM 3588 H HA . HIS A 1 38 ? 0.540 2.692 -2.296 1.00 0.00 ? 38 HIS A HA 3 ATOM 3589 H HB2 . HIS A 1 38 ? 2.506 0.403 -2.235 1.00 0.00 ? 38 HIS A HB2 3 ATOM 3590 H HB3 . HIS A 1 38 ? 2.813 1.941 -1.432 1.00 0.00 ? 38 HIS A HB3 3 ATOM 3591 H HD1 . HIS A 1 38 ? 0.667 2.618 0.264 1.00 0.00 ? 38 HIS A HD1 3 ATOM 3592 H HD2 . HIS A 1 38 ? 1.376 -1.390 -0.572 1.00 0.00 ? 38 HIS A HD2 3 ATOM 3593 H HE1 . HIS A 1 38 ? -0.471 1.336 2.103 1.00 0.00 ? 38 HIS A HE1 3 ATOM 3594 H HE2 . HIS A 1 38 ? 0.043 -1.083 1.623 1.00 0.00 ? 38 HIS A HE2 3 ATOM 3595 N N . ARG A 1 39 ? 2.769 1.961 -4.627 1.00 0.00 ? 39 ARG A N 3 ATOM 3596 C CA . ARG A 1 39 ? 3.650 2.546 -5.630 1.00 0.00 ? 39 ARG A CA 3 ATOM 3597 C C . ARG A 1 39 ? 2.941 3.663 -6.391 1.00 0.00 ? 39 ARG A C 3 ATOM 3598 O O . ARG A 1 39 ? 3.583 4.531 -6.982 1.00 0.00 ? 39 ARG A O 3 ATOM 3599 C CB . ARG A 1 39 ? 4.129 1.472 -6.609 1.00 0.00 ? 39 ARG A CB 3 ATOM 3600 C CG . ARG A 1 39 ? 4.903 0.345 -5.945 1.00 0.00 ? 39 ARG A CG 3 ATOM 3601 C CD . ARG A 1 39 ? 5.322 -0.712 -6.954 1.00 0.00 ? 39 ARG A CD 3 ATOM 3602 N NE . ARG A 1 39 ? 6.489 -0.298 -7.728 1.00 0.00 ? 39 ARG A NE 3 ATOM 3603 C CZ . ARG A 1 39 ? 6.794 -0.797 -8.921 1.00 0.00 ? 39 ARG A CZ 3 ATOM 3604 N NH1 . ARG A 1 39 ? 6.023 -1.723 -9.474 1.00 0.00 ? 39 ARG A NH1 3 ATOM 3605 N NH2 . ARG A 1 39 ? 7.873 -0.369 -9.564 1.00 0.00 ? 39 ARG A NH2 3 ATOM 3606 H H . ARG A 1 39 ? 2.708 0.985 -4.555 1.00 0.00 ? 39 ARG A H 3 ATOM 3607 H HA . ARG A 1 39 ? 4.505 2.962 -5.119 1.00 0.00 ? 39 ARG A HA 3 ATOM 3608 H HB2 . ARG A 1 39 ? 3.270 1.045 -7.105 1.00 0.00 ? 39 ARG A HB2 3 ATOM 3609 H HB3 . ARG A 1 39 ? 4.768 1.934 -7.346 1.00 0.00 ? 39 ARG A HB3 3 ATOM 3610 H HG2 . ARG A 1 39 ? 5.789 0.754 -5.480 1.00 0.00 ? 39 ARG A HG2 3 ATOM 3611 H HG3 . ARG A 1 39 ? 4.279 -0.114 -5.193 1.00 0.00 ? 39 ARG A HG3 3 ATOM 3612 H HD2 . ARG A 1 39 ? 5.559 -1.623 -6.424 1.00 0.00 ? 39 ARG A HD2 3 ATOM 3613 H HD3 . ARG A 1 39 ? 4.499 -0.893 -7.629 1.00 0.00 ? 39 ARG A HD3 3 ATOM 3614 H HE . ARG A 1 39 ? 7.073 0.385 -7.339 1.00 0.00 ? 39 ARG A HE 3 ATOM 3615 H HH11 . ARG A 1 39 ? 5.209 -2.046 -8.992 1.00 0.00 ? 39 ARG A HH11 3 ATOM 3616 H HH12 . ARG A 1 39 ? 6.254 -2.096 -10.372 1.00 0.00 ? 39 ARG A HH12 3 ATOM 3617 H HH21 . ARG A 1 39 ? 8.458 0.329 -9.151 1.00 0.00 ? 39 ARG A HH21 3 ATOM 3618 H HH22 . ARG A 1 39 ? 8.102 -0.745 -10.462 1.00 0.00 ? 39 ARG A HH22 3 ATOM 3619 N N . LYS A 1 40 ? 1.613 3.633 -6.373 1.00 0.00 ? 40 LYS A N 3 ATOM 3620 C CA . LYS A 1 40 ? 0.815 4.642 -7.060 1.00 0.00 ? 40 LYS A CA 3 ATOM 3621 C C . LYS A 1 40 ? 0.713 5.916 -6.226 1.00 0.00 ? 40 LYS A C 3 ATOM 3622 O O . LYS A 1 40 ? 1.096 6.995 -6.675 1.00 0.00 ? 40 LYS A O 3 ATOM 3623 C CB . LYS A 1 40 ? -0.585 4.101 -7.356 1.00 0.00 ? 40 LYS A CB 3 ATOM 3624 C CG . LYS A 1 40 ? -0.694 3.399 -8.699 1.00 0.00 ? 40 LYS A CG 3 ATOM 3625 C CD . LYS A 1 40 ? -0.381 1.917 -8.581 1.00 0.00 ? 40 LYS A CD 3 ATOM 3626 C CE . LYS A 1 40 ? -0.385 1.237 -9.941 1.00 0.00 ? 40 LYS A CE 3 ATOM 3627 N NZ . LYS A 1 40 ? -1.767 1.031 -10.455 1.00 0.00 ? 40 LYS A NZ 3 ATOM 3628 H H . LYS A 1 40 ? 1.157 2.915 -5.884 1.00 0.00 ? 40 LYS A H 3 ATOM 3629 H HA . LYS A 1 40 ? 1.306 4.876 -7.992 1.00 0.00 ? 40 LYS A HA 3 ATOM 3630 H HB2 . LYS A 1 40 ? -0.857 3.397 -6.583 1.00 0.00 ? 40 LYS A HB2 3 ATOM 3631 H HB3 . LYS A 1 40 ? -1.286 4.923 -7.345 1.00 0.00 ? 40 LYS A HB3 3 ATOM 3632 H HG2 . LYS A 1 40 ? -1.700 3.515 -9.075 1.00 0.00 ? 40 LYS A HG2 3 ATOM 3633 H HG3 . LYS A 1 40 ? 0.004 3.852 -9.389 1.00 0.00 ? 40 LYS A HG3 3 ATOM 3634 H HD2 . LYS A 1 40 ? 0.595 1.798 -8.134 1.00 0.00 ? 40 LYS A HD2 3 ATOM 3635 H HD3 . LYS A 1 40 ? -1.126 1.450 -7.952 1.00 0.00 ? 40 LYS A HD3 3 ATOM 3636 H HE2 . LYS A 1 40 ? 0.161 1.853 -10.639 1.00 0.00 ? 40 LYS A HE2 3 ATOM 3637 H HE3 . LYS A 1 40 ? 0.103 0.278 -9.851 1.00 0.00 ? 40 LYS A HE3 3 ATOM 3638 H HZ1 . LYS A 1 40 ? -1.780 1.121 -11.491 1.00 0.00 ? 40 LYS A HZ1 3 ATOM 3639 H HZ2 . LYS A 1 40 ? -2.409 1.742 -10.049 1.00 0.00 ? 40 LYS A HZ2 3 ATOM 3640 H HZ3 . LYS A 1 40 ? -2.108 0.084 -10.196 1.00 0.00 ? 40 LYS A HZ3 3 ATOM 3641 N N . ALA A 1 41 ? 0.195 5.781 -5.009 1.00 0.00 ? 41 ALA A N 3 ATOM 3642 C CA . ALA A 1 41 ? 0.046 6.920 -4.112 1.00 0.00 ? 41 ALA A CA 3 ATOM 3643 C C . ALA A 1 41 ? 1.371 7.654 -3.933 1.00 0.00 ? 41 ALA A C 3 ATOM 3644 O O . ALA A 1 41 ? 1.448 8.870 -4.111 1.00 0.00 ? 41 ALA A O 3 ATOM 3645 C CB . ALA A 1 41 ? -0.492 6.463 -2.764 1.00 0.00 ? 41 ALA A CB 3 ATOM 3646 H H . ALA A 1 41 ? -0.093 4.894 -4.708 1.00 0.00 ? 41 ALA A H 3 ATOM 3647 H HA . ALA A 1 41 ? -0.673 7.597 -4.548 1.00 0.00 ? 41 ALA A HA 3 ATOM 3648 H HB1 . ALA A 1 41 ? -0.683 7.326 -2.142 1.00 0.00 ? 41 ALA A HB1 3 ATOM 3649 H HB2 . ALA A 1 41 ? -1.411 5.914 -2.911 1.00 0.00 ? 41 ALA A HB2 3 ATOM 3650 H HB3 . ALA A 1 41 ? 0.235 5.826 -2.283 1.00 0.00 ? 41 ALA A HB3 3 ATOM 3651 N N . THR A 1 42 ? 2.413 6.908 -3.578 1.00 0.00 ? 42 THR A N 3 ATOM 3652 C CA . THR A 1 42 ? 3.734 7.489 -3.373 1.00 0.00 ? 42 THR A CA 3 ATOM 3653 C C . THR A 1 42 ? 4.116 8.408 -4.528 1.00 0.00 ? 42 THR A C 3 ATOM 3654 O O . THR A 1 42 ? 4.659 9.493 -4.318 1.00 0.00 ? 42 THR A O 3 ATOM 3655 C CB . THR A 1 42 ? 4.810 6.397 -3.223 1.00 0.00 ? 42 THR A CB 3 ATOM 3656 O OG1 . THR A 1 42 ? 4.675 5.429 -4.270 1.00 0.00 ? 42 THR A OG1 3 ATOM 3657 C CG2 . THR A 1 42 ? 4.698 5.709 -1.871 1.00 0.00 ? 42 THR A CG2 3 ATOM 3658 H H . THR A 1 42 ? 2.288 5.945 -3.451 1.00 0.00 ? 42 THR A H 3 ATOM 3659 H HA . THR A 1 42 ? 3.706 8.066 -2.460 1.00 0.00 ? 42 THR A HA 3 ATOM 3660 H HB . THR A 1 42 ? 5.784 6.861 -3.295 1.00 0.00 ? 42 THR A HB 3 ATOM 3661 H HG1 . THR A 1 42 ? 3.838 4.969 -4.174 1.00 0.00 ? 42 THR A HG1 3 ATOM 3662 H HG21 . THR A 1 42 ? 3.768 5.162 -1.822 1.00 0.00 ? 42 THR A HG21 3 ATOM 3663 H HG22 . THR A 1 42 ? 4.722 6.451 -1.087 1.00 0.00 ? 42 THR A HG22 3 ATOM 3664 H HG23 . THR A 1 42 ? 5.524 5.026 -1.746 1.00 0.00 ? 42 THR A HG23 3 ATOM 3665 N N . THR A 1 43 ? 3.828 7.968 -5.749 1.00 0.00 ? 43 THR A N 3 ATOM 3666 C CA . THR A 1 43 ? 4.141 8.751 -6.937 1.00 0.00 ? 43 THR A CA 3 ATOM 3667 C C . THR A 1 43 ? 3.396 10.080 -6.933 1.00 0.00 ? 43 THR A C 3 ATOM 3668 O O . THR A 1 43 ? 4.008 11.147 -7.002 1.00 0.00 ? 43 THR A O 3 ATOM 3669 C CB . THR A 1 43 ? 3.790 7.983 -8.225 1.00 0.00 ? 43 THR A CB 3 ATOM 3670 O OG1 . THR A 1 43 ? 4.538 6.763 -8.288 1.00 0.00 ? 43 THR A OG1 3 ATOM 3671 C CG2 . THR A 1 43 ? 4.082 8.827 -9.456 1.00 0.00 ? 43 THR A CG2 3 ATOM 3672 H H . THR A 1 43 ? 3.395 7.095 -5.851 1.00 0.00 ? 43 THR A H 3 ATOM 3673 H HA . THR A 1 43 ? 5.204 8.945 -6.938 1.00 0.00 ? 43 THR A HA 3 ATOM 3674 H HB . THR A 1 43 ? 2.735 7.749 -8.210 1.00 0.00 ? 43 THR A HB 3 ATOM 3675 H HG1 . THR A 1 43 ? 5.397 6.935 -8.680 1.00 0.00 ? 43 THR A HG1 3 ATOM 3676 H HG21 . THR A 1 43 ? 3.408 8.549 -10.253 1.00 0.00 ? 43 THR A HG21 3 ATOM 3677 H HG22 . THR A 1 43 ? 5.102 8.661 -9.772 1.00 0.00 ? 43 THR A HG22 3 ATOM 3678 H HG23 . THR A 1 43 ? 3.945 9.871 -9.217 1.00 0.00 ? 43 THR A HG23 3 ATOM 3679 N N . TYR A 1 44 ? 2.072 10.010 -6.850 1.00 0.00 ? 44 TYR A N 3 ATOM 3680 C CA . TYR A 1 44 ? 1.242 11.209 -6.837 1.00 0.00 ? 44 TYR A CA 3 ATOM 3681 C C . TYR A 1 44 ? 1.723 12.194 -5.776 1.00 0.00 ? 44 TYR A C 3 ATOM 3682 O O . TYR A 1 44 ? 1.901 13.382 -6.048 1.00 0.00 ? 44 TYR A O 3 ATOM 3683 C CB . TYR A 1 44 ? -0.220 10.841 -6.582 1.00 0.00 ? 44 TYR A CB 3 ATOM 3684 C CG . TYR A 1 44 ? -1.144 12.036 -6.524 1.00 0.00 ? 44 TYR A CG 3 ATOM 3685 C CD1 . TYR A 1 44 ? -1.054 13.055 -7.464 1.00 0.00 ? 44 TYR A CD1 3 ATOM 3686 C CD2 . TYR A 1 44 ? -2.108 12.146 -5.528 1.00 0.00 ? 44 TYR A CD2 3 ATOM 3687 C CE1 . TYR A 1 44 ? -1.896 14.149 -7.414 1.00 0.00 ? 44 TYR A CE1 3 ATOM 3688 C CE2 . TYR A 1 44 ? -2.955 13.236 -5.472 1.00 0.00 ? 44 TYR A CE2 3 ATOM 3689 C CZ . TYR A 1 44 ? -2.845 14.235 -6.417 1.00 0.00 ? 44 TYR A CZ 3 ATOM 3690 O OH . TYR A 1 44 ? -3.686 15.323 -6.363 1.00 0.00 ? 44 TYR A OH 3 ATOM 3691 H H . TYR A 1 44 ? 1.642 9.131 -6.797 1.00 0.00 ? 44 TYR A H 3 ATOM 3692 H HA . TYR A 1 44 ? 1.321 11.677 -7.808 1.00 0.00 ? 44 TYR A HA 3 ATOM 3693 H HB2 . TYR A 1 44 ? -0.565 10.194 -7.374 1.00 0.00 ? 44 TYR A HB2 3 ATOM 3694 H HB3 . TYR A 1 44 ? -0.293 10.318 -5.639 1.00 0.00 ? 44 TYR A HB3 3 ATOM 3695 H HD1 . TYR A 1 44 ? -0.309 12.985 -8.244 1.00 0.00 ? 44 TYR A HD1 3 ATOM 3696 H HD2 . TYR A 1 44 ? -2.191 11.362 -4.790 1.00 0.00 ? 44 TYR A HD2 3 ATOM 3697 H HE1 . TYR A 1 44 ? -1.810 14.932 -8.154 1.00 0.00 ? 44 TYR A HE1 3 ATOM 3698 H HE2 . TYR A 1 44 ? -3.698 13.303 -4.691 1.00 0.00 ? 44 TYR A HE2 3 ATOM 3699 H HH . TYR A 1 44 ? -3.926 15.497 -5.450 1.00 0.00 ? 44 TYR A HH 3 ATOM 3700 N N . LEU A 1 45 ? 1.933 11.691 -4.564 1.00 0.00 ? 45 LEU A N 3 ATOM 3701 C CA . LEU A 1 45 ? 2.394 12.525 -3.459 1.00 0.00 ? 45 LEU A CA 3 ATOM 3702 C C . LEU A 1 45 ? 3.726 13.188 -3.797 1.00 0.00 ? 45 LEU A C 3 ATOM 3703 O O . LEU A 1 45 ? 3.970 14.336 -3.426 1.00 0.00 ? 45 LEU A O 3 ATOM 3704 C CB . LEU A 1 45 ? 2.537 11.687 -2.188 1.00 0.00 ? 45 LEU A CB 3 ATOM 3705 C CG . LEU A 1 45 ? 1.244 11.404 -1.421 1.00 0.00 ? 45 LEU A CG 3 ATOM 3706 C CD1 . LEU A 1 45 ? 1.508 10.460 -0.258 1.00 0.00 ? 45 LEU A CD1 3 ATOM 3707 C CD2 . LEU A 1 45 ? 0.623 12.702 -0.926 1.00 0.00 ? 45 LEU A CD2 3 ATOM 3708 H H . LEU A 1 45 ? 1.774 10.737 -4.407 1.00 0.00 ? 45 LEU A H 3 ATOM 3709 H HA . LEU A 1 45 ? 1.655 13.294 -3.293 1.00 0.00 ? 45 LEU A HA 3 ATOM 3710 H HB2 . LEU A 1 45 ? 2.971 10.738 -2.463 1.00 0.00 ? 45 LEU A HB2 3 ATOM 3711 H HB3 . LEU A 1 45 ? 3.210 12.209 -1.522 1.00 0.00 ? 45 LEU A HB3 3 ATOM 3712 H HG . LEU A 1 45 ? 0.537 10.926 -2.085 1.00 0.00 ? 45 LEU A HG 3 ATOM 3713 H HD11 . LEU A 1 45 ? 0.708 9.739 -0.191 1.00 0.00 ? 45 LEU A HD11 3 ATOM 3714 H HD12 . LEU A 1 45 ? 1.561 11.026 0.660 1.00 0.00 ? 45 LEU A HD12 3 ATOM 3715 H HD13 . LEU A 1 45 ? 2.445 9.946 -0.418 1.00 0.00 ? 45 LEU A HD13 3 ATOM 3716 H HD21 . LEU A 1 45 ? -0.342 12.839 -1.392 1.00 0.00 ? 45 LEU A HD21 3 ATOM 3717 H HD22 . LEU A 1 45 ? 1.267 13.531 -1.184 1.00 0.00 ? 45 LEU A HD22 3 ATOM 3718 H HD23 . LEU A 1 45 ? 0.503 12.658 0.146 1.00 0.00 ? 45 LEU A HD23 3 ATOM 3719 N N . SER A 1 46 ? 4.582 12.458 -4.504 1.00 0.00 ? 46 SER A N 3 ATOM 3720 C CA . SER A 1 46 ? 5.890 12.975 -4.891 1.00 0.00 ? 46 SER A CA 3 ATOM 3721 C C . SER A 1 46 ? 5.753 14.051 -5.964 1.00 0.00 ? 46 SER A C 3 ATOM 3722 O O . SER A 1 46 ? 6.647 14.876 -6.147 1.00 0.00 ? 46 SER A O 3 ATOM 3723 C CB . SER A 1 46 ? 6.780 11.840 -5.401 1.00 0.00 ? 46 SER A CB 3 ATOM 3724 O OG . SER A 1 46 ? 8.130 12.258 -5.505 1.00 0.00 ? 46 SER A OG 3 ATOM 3725 H H . SER A 1 46 ? 4.329 11.549 -4.770 1.00 0.00 ? 46 SER A H 3 ATOM 3726 H HA . SER A 1 46 ? 6.346 13.412 -4.015 1.00 0.00 ? 46 SER A HA 3 ATOM 3727 H HB2 . SER A 1 46 ? 6.725 11.007 -4.717 1.00 0.00 ? 46 SER A HB2 3 ATOM 3728 H HB3 . SER A 1 46 ? 6.436 11.527 -6.377 1.00 0.00 ? 46 SER A HB3 3 ATOM 3729 H HG . SER A 1 46 ? 8.608 11.994 -4.716 1.00 0.00 ? 46 SER A HG 3 ATOM 3730 N N . GLU A 1 47 ? 4.626 14.035 -6.669 1.00 0.00 ? 47 GLU A N 3 ATOM 3731 C CA . GLU A 1 47 ? 4.372 15.008 -7.724 1.00 0.00 ? 47 GLU A CA 3 ATOM 3732 C C . GLU A 1 47 ? 3.816 16.306 -7.145 1.00 0.00 ? 47 GLU A C 3 ATOM 3733 O O . GLU A 1 47 ? 3.887 17.360 -7.776 1.00 0.00 ? 47 GLU A O 3 ATOM 3734 C CB . GLU A 1 47 ? 3.395 14.436 -8.753 1.00 0.00 ? 47 GLU A CB 3 ATOM 3735 C CG . GLU A 1 47 ? 3.934 13.227 -9.498 1.00 0.00 ? 47 GLU A CG 3 ATOM 3736 C CD . GLU A 1 47 ? 3.151 12.923 -10.761 1.00 0.00 ? 47 GLU A CD 3 ATOM 3737 O OE1 . GLU A 1 47 ? 3.108 13.791 -11.657 1.00 0.00 ? 47 GLU A OE1 3 ATOM 3738 O OE2 . GLU A 1 47 ? 2.581 11.815 -10.852 1.00 0.00 ? 47 GLU A OE2 3 ATOM 3739 H H . GLU A 1 47 ? 3.950 13.352 -6.476 1.00 0.00 ? 47 GLU A H 3 ATOM 3740 H HA . GLU A 1 47 ? 5.311 15.220 -8.213 1.00 0.00 ? 47 GLU A HA 3 ATOM 3741 H HB2 . GLU A 1 47 ? 2.487 14.144 -8.245 1.00 0.00 ? 47 GLU A HB2 3 ATOM 3742 H HB3 . GLU A 1 47 ? 3.161 15.203 -9.476 1.00 0.00 ? 47 GLU A HB3 3 ATOM 3743 H HG2 . GLU A 1 47 ? 4.962 13.416 -9.768 1.00 0.00 ? 47 GLU A HG2 3 ATOM 3744 H HG3 . GLU A 1 47 ? 3.887 12.367 -8.847 1.00 0.00 ? 47 GLU A HG3 3 ATOM 3745 N N . ALA A 1 48 ? 3.263 16.220 -5.940 1.00 0.00 ? 48 ALA A N 3 ATOM 3746 C CA . ALA A 1 48 ? 2.696 17.386 -5.274 1.00 0.00 ? 48 ALA A CA 3 ATOM 3747 C C . ALA A 1 48 ? 3.792 18.334 -4.799 1.00 0.00 ? 48 ALA A C 3 ATOM 3748 O O . ALA A 1 48 ? 3.857 19.486 -5.227 1.00 0.00 ? 48 ALA A O 3 ATOM 3749 C CB . ALA A 1 48 ? 1.825 16.954 -4.104 1.00 0.00 ? 48 ALA A CB 3 ATOM 3750 H H . ALA A 1 48 ? 3.236 15.351 -5.487 1.00 0.00 ? 48 ALA A H 3 ATOM 3751 H HA . ALA A 1 48 ? 2.069 17.904 -5.986 1.00 0.00 ? 48 ALA A HA 3 ATOM 3752 H HB1 . ALA A 1 48 ? 2.151 15.987 -3.751 1.00 0.00 ? 48 ALA A HB1 3 ATOM 3753 H HB2 . ALA A 1 48 ? 1.910 17.677 -3.306 1.00 0.00 ? 48 ALA A HB2 3 ATOM 3754 H HB3 . ALA A 1 48 ? 0.796 16.892 -4.425 1.00 0.00 ? 48 ALA A HB3 3 ATOM 3755 N N . MET A 1 49 ? 4.650 17.841 -3.912 1.00 0.00 ? 49 MET A N 3 ATOM 3756 C CA . MET A 1 49 ? 5.744 18.645 -3.380 1.00 0.00 ? 49 MET A CA 3 ATOM 3757 C C . MET A 1 49 ? 6.591 19.226 -4.508 1.00 0.00 ? 49 MET A C 3 ATOM 3758 O O . MET A 1 49 ? 7.240 20.259 -4.342 1.00 0.00 ? 49 MET A O 3 ATOM 3759 C CB . MET A 1 49 ? 6.620 17.802 -2.451 1.00 0.00 ? 49 MET A CB 3 ATOM 3760 C CG . MET A 1 49 ? 7.078 16.492 -3.071 1.00 0.00 ? 49 MET A CG 3 ATOM 3761 S SD . MET A 1 49 ? 7.721 15.333 -1.849 1.00 0.00 ? 49 MET A SD 3 ATOM 3762 C CE . MET A 1 49 ? 6.403 15.355 -0.636 1.00 0.00 ? 49 MET A CE 3 ATOM 3763 H H . MET A 1 49 ? 4.547 16.915 -3.609 1.00 0.00 ? 49 MET A H 3 ATOM 3764 H HA . MET A 1 49 ? 5.313 19.457 -2.814 1.00 0.00 ? 49 MET A HA 3 ATOM 3765 H HB2 . MET A 1 49 ? 7.495 18.375 -2.183 1.00 0.00 ? 49 MET A HB2 3 ATOM 3766 H HB3 . MET A 1 49 ? 6.060 17.575 -1.556 1.00 0.00 ? 49 MET A HB3 3 ATOM 3767 H HG2 . MET A 1 49 ? 6.240 16.034 -3.575 1.00 0.00 ? 49 MET A HG2 3 ATOM 3768 H HG3 . MET A 1 49 ? 7.856 16.704 -3.791 1.00 0.00 ? 49 MET A HG3 3 ATOM 3769 H HE1 . MET A 1 49 ? 6.664 16.027 0.167 1.00 0.00 ? 49 MET A HE1 3 ATOM 3770 H HE2 . MET A 1 49 ? 5.489 15.690 -1.104 1.00 0.00 ? 49 MET A HE2 3 ATOM 3771 H HE3 . MET A 1 49 ? 6.262 14.359 -0.241 1.00 0.00 ? 49 MET A HE3 3 ATOM 3772 N N . LYS A 1 50 ? 6.581 18.556 -5.655 1.00 0.00 ? 50 LYS A N 3 ATOM 3773 C CA . LYS A 1 50 ? 7.347 19.005 -6.811 1.00 0.00 ? 50 LYS A CA 3 ATOM 3774 C C . LYS A 1 50 ? 6.812 20.334 -7.335 1.00 0.00 ? 50 LYS A C 3 ATOM 3775 O O . LYS A 1 50 ? 7.401 20.943 -8.229 1.00 0.00 ? 50 LYS A O 3 ATOM 3776 C CB . LYS A 1 50 ? 7.300 17.952 -7.920 1.00 0.00 ? 50 LYS A CB 3 ATOM 3777 C CG . LYS A 1 50 ? 8.377 16.889 -7.795 1.00 0.00 ? 50 LYS A CG 3 ATOM 3778 C CD . LYS A 1 50 ? 8.219 15.808 -8.851 1.00 0.00 ? 50 LYS A CD 3 ATOM 3779 C CE . LYS A 1 50 ? 9.241 14.696 -8.668 1.00 0.00 ? 50 LYS A CE 3 ATOM 3780 N NZ . LYS A 1 50 ? 10.630 15.173 -8.911 1.00 0.00 ? 50 LYS A NZ 3 ATOM 3781 H H . LYS A 1 50 ? 6.043 17.738 -5.726 1.00 0.00 ? 50 LYS A H 3 ATOM 3782 H HA . LYS A 1 50 ? 8.371 19.141 -6.498 1.00 0.00 ? 50 LYS A HA 3 ATOM 3783 H HB2 . LYS A 1 50 ? 6.337 17.464 -7.897 1.00 0.00 ? 50 LYS A HB2 3 ATOM 3784 H HB3 . LYS A 1 50 ? 7.420 18.446 -8.874 1.00 0.00 ? 50 LYS A HB3 3 ATOM 3785 H HG2 . LYS A 1 50 ? 9.345 17.353 -7.913 1.00 0.00 ? 50 LYS A HG2 3 ATOM 3786 H HG3 . LYS A 1 50 ? 8.310 16.435 -6.816 1.00 0.00 ? 50 LYS A HG3 3 ATOM 3787 H HD2 . LYS A 1 50 ? 7.228 15.386 -8.778 1.00 0.00 ? 50 LYS A HD2 3 ATOM 3788 H HD3 . LYS A 1 50 ? 8.353 16.250 -9.829 1.00 0.00 ? 50 LYS A HD3 3 ATOM 3789 H HE2 . LYS A 1 50 ? 9.169 14.322 -7.658 1.00 0.00 ? 50 LYS A HE2 3 ATOM 3790 H HE3 . LYS A 1 50 ? 9.016 13.900 -9.363 1.00 0.00 ? 50 LYS A HE3 3 ATOM 3791 H HZ1 . LYS A 1 50 ? 10.722 15.524 -9.886 1.00 0.00 ? 50 LYS A HZ1 3 ATOM 3792 H HZ2 . LYS A 1 50 ? 11.305 14.395 -8.769 1.00 0.00 ? 50 LYS A HZ2 3 ATOM 3793 H HZ3 . LYS A 1 50 ? 10.864 15.944 -8.253 1.00 0.00 ? 50 LYS A HZ3 3 ATOM 3794 N N . LEU A 1 51 ? 5.694 20.780 -6.772 1.00 0.00 ? 51 LEU A N 3 ATOM 3795 C CA . LEU A 1 51 ? 5.080 22.039 -7.181 1.00 0.00 ? 51 LEU A CA 3 ATOM 3796 C C . LEU A 1 51 ? 5.065 23.037 -6.028 1.00 0.00 ? 51 LEU A C 3 ATOM 3797 O O . LEU A 1 51 ? 5.731 24.072 -6.079 1.00 0.00 ? 51 LEU A O 3 ATOM 3798 C CB . LEU A 1 51 ? 3.655 21.795 -7.680 1.00 0.00 ? 51 LEU A CB 3 ATOM 3799 C CG . LEU A 1 51 ? 3.507 21.495 -9.172 1.00 0.00 ? 51 LEU A CG 3 ATOM 3800 C CD1 . LEU A 1 51 ? 4.139 20.154 -9.511 1.00 0.00 ? 51 LEU A CD1 3 ATOM 3801 C CD2 . LEU A 1 51 ? 2.041 21.514 -9.577 1.00 0.00 ? 51 LEU A CD2 3 ATOM 3802 H H . LEU A 1 51 ? 5.270 20.251 -6.065 1.00 0.00 ? 51 LEU A H 3 ATOM 3803 H HA . LEU A 1 51 ? 5.670 22.448 -7.988 1.00 0.00 ? 51 LEU A HA 3 ATOM 3804 H HB2 . LEU A 1 51 ? 3.252 20.957 -7.133 1.00 0.00 ? 51 LEU A HB2 3 ATOM 3805 H HB3 . LEU A 1 51 ? 3.073 22.680 -7.460 1.00 0.00 ? 51 LEU A HB3 3 ATOM 3806 H HG . LEU A 1 51 ? 4.022 22.258 -9.739 1.00 0.00 ? 51 LEU A HG 3 ATOM 3807 H HD11 . LEU A 1 51 ? 3.374 19.393 -9.538 1.00 0.00 ? 51 LEU A HD11 3 ATOM 3808 H HD12 . LEU A 1 51 ? 4.872 19.901 -8.760 1.00 0.00 ? 51 LEU A HD12 3 ATOM 3809 H HD13 . LEU A 1 51 ? 4.620 20.216 -10.476 1.00 0.00 ? 51 LEU A HD13 3 ATOM 3810 H HD21 . LEU A 1 51 ? 1.631 20.518 -9.493 1.00 0.00 ? 51 LEU A HD21 3 ATOM 3811 H HD22 . LEU A 1 51 ? 1.954 21.853 -10.600 1.00 0.00 ? 51 LEU A HD22 3 ATOM 3812 H HD23 . LEU A 1 51 ? 1.496 22.184 -8.928 1.00 0.00 ? 51 LEU A HD23 3 ATOM 3813 N N . THR A 1 52 ? 4.301 22.719 -4.987 1.00 0.00 ? 52 THR A N 3 ATOM 3814 C CA . THR A 1 52 ? 4.200 23.587 -3.821 1.00 0.00 ? 52 THR A CA 3 ATOM 3815 C C . THR A 1 52 ? 5.554 24.187 -3.462 1.00 0.00 ? 52 THR A C 3 ATOM 3816 O O . THR A 1 52 ? 6.558 23.478 -3.392 1.00 0.00 ? 52 THR A O 3 ATOM 3817 C CB . THR A 1 52 ? 3.648 22.826 -2.601 1.00 0.00 ? 52 THR A CB 3 ATOM 3818 O OG1 . THR A 1 52 ? 3.028 23.742 -1.691 1.00 0.00 ? 52 THR A OG1 3 ATOM 3819 C CG2 . THR A 1 52 ? 4.759 22.069 -1.888 1.00 0.00 ? 52 THR A CG2 3 ATOM 3820 H H . THR A 1 52 ? 3.794 21.881 -5.006 1.00 0.00 ? 52 THR A H 3 ATOM 3821 H HA . THR A 1 52 ? 3.514 24.388 -4.059 1.00 0.00 ? 52 THR A HA 3 ATOM 3822 H HB . THR A 1 52 ? 2.910 22.115 -2.943 1.00 0.00 ? 52 THR A HB 3 ATOM 3823 H HG1 . THR A 1 52 ? 3.677 24.048 -1.053 1.00 0.00 ? 52 THR A HG1 3 ATOM 3824 H HG21 . THR A 1 52 ? 5.327 21.500 -2.609 1.00 0.00 ? 52 THR A HG21 3 ATOM 3825 H HG22 . THR A 1 52 ? 4.327 21.399 -1.159 1.00 0.00 ? 52 THR A HG22 3 ATOM 3826 H HG23 . THR A 1 52 ? 5.410 22.772 -1.390 1.00 0.00 ? 52 THR A HG23 3 ATOM 3827 N N . GLU A 1 53 ? 5.575 25.497 -3.234 1.00 0.00 ? 53 GLU A N 3 ATOM 3828 C CA . GLU A 1 53 ? 6.808 26.190 -2.882 1.00 0.00 ? 53 GLU A CA 3 ATOM 3829 C C . GLU A 1 53 ? 6.805 26.594 -1.411 1.00 0.00 ? 53 GLU A C 3 ATOM 3830 O O . GLU A 1 53 ? 7.558 27.475 -0.996 1.00 0.00 ? 53 GLU A O 3 ATOM 3831 C CB . GLU A 1 53 ? 6.992 27.429 -3.762 1.00 0.00 ? 53 GLU A CB 3 ATOM 3832 C CG . GLU A 1 53 ? 7.034 27.119 -5.249 1.00 0.00 ? 53 GLU A CG 3 ATOM 3833 C CD . GLU A 1 53 ? 8.038 26.035 -5.590 1.00 0.00 ? 53 GLU A CD 3 ATOM 3834 O OE1 . GLU A 1 53 ? 7.838 24.883 -5.153 1.00 0.00 ? 53 GLU A OE1 3 ATOM 3835 O OE2 . GLU A 1 53 ? 9.023 26.339 -6.295 1.00 0.00 ? 53 GLU A OE2 3 ATOM 3836 H H . GLU A 1 53 ? 4.742 26.008 -3.305 1.00 0.00 ? 53 GLU A H 3 ATOM 3837 H HA . GLU A 1 53 ? 7.631 25.513 -3.055 1.00 0.00 ? 53 GLU A HA 3 ATOM 3838 H HB2 . GLU A 1 53 ? 6.173 28.110 -3.580 1.00 0.00 ? 53 GLU A HB2 3 ATOM 3839 H HB3 . GLU A 1 53 ? 7.918 27.914 -3.491 1.00 0.00 ? 53 GLU A HB3 3 ATOM 3840 H HG2 . GLU A 1 53 ? 6.054 26.792 -5.563 1.00 0.00 ? 53 GLU A HG2 3 ATOM 3841 H HG3 . GLU A 1 53 ? 7.301 28.019 -5.784 1.00 0.00 ? 53 GLU A HG3 3 ATOM 3842 N N . SER A 1 54 ? 5.950 25.944 -0.627 1.00 0.00 ? 54 SER A N 3 ATOM 3843 C CA . SER A 1 54 ? 5.844 26.237 0.797 1.00 0.00 ? 54 SER A CA 3 ATOM 3844 C C . SER A 1 54 ? 6.547 25.167 1.626 1.00 0.00 ? 54 SER A C 3 ATOM 3845 O O . SER A 1 54 ? 6.624 24.006 1.224 1.00 0.00 ? 54 SER A O 3 ATOM 3846 C CB . SER A 1 54 ? 4.375 26.336 1.211 1.00 0.00 ? 54 SER A CB 3 ATOM 3847 O OG . SER A 1 54 ? 4.227 27.119 2.383 1.00 0.00 ? 54 SER A OG 3 ATOM 3848 H H . SER A 1 54 ? 5.376 25.252 -1.017 1.00 0.00 ? 54 SER A H 3 ATOM 3849 H HA . SER A 1 54 ? 6.325 27.188 0.977 1.00 0.00 ? 54 SER A HA 3 ATOM 3850 H HB2 . SER A 1 54 ? 3.809 26.793 0.414 1.00 0.00 ? 54 SER A HB2 3 ATOM 3851 H HB3 . SER A 1 54 ? 3.990 25.345 1.403 1.00 0.00 ? 54 SER A HB3 3 ATOM 3852 H HG . SER A 1 54 ? 4.217 28.049 2.148 1.00 0.00 ? 54 SER A HG 3 ATOM 3853 N N . GLU A 1 55 ? 7.059 25.566 2.786 1.00 0.00 ? 55 GLU A N 3 ATOM 3854 C CA . GLU A 1 55 ? 7.756 24.641 3.672 1.00 0.00 ? 55 GLU A CA 3 ATOM 3855 C C . GLU A 1 55 ? 6.776 23.675 4.330 1.00 0.00 ? 55 GLU A C 3 ATOM 3856 O O . GLU A 1 55 ? 6.887 22.459 4.172 1.00 0.00 ? 55 GLU A O 3 ATOM 3857 C CB . GLU A 1 55 ? 8.528 25.412 4.745 1.00 0.00 ? 55 GLU A CB 3 ATOM 3858 C CG . GLU A 1 55 ? 9.655 24.612 5.376 1.00 0.00 ? 55 GLU A CG 3 ATOM 3859 C CD . GLU A 1 55 ? 10.389 25.388 6.453 1.00 0.00 ? 55 GLU A CD 3 ATOM 3860 O OE1 . GLU A 1 55 ? 11.084 26.367 6.110 1.00 0.00 ? 55 GLU A OE1 3 ATOM 3861 O OE2 . GLU A 1 55 ? 10.268 25.016 7.639 1.00 0.00 ? 55 GLU A OE2 3 ATOM 3862 H H . GLU A 1 55 ? 6.965 26.505 3.053 1.00 0.00 ? 55 GLU A H 3 ATOM 3863 H HA . GLU A 1 55 ? 8.456 24.075 3.076 1.00 0.00 ? 55 GLU A HA 3 ATOM 3864 H HB2 . GLU A 1 55 ? 8.949 26.301 4.300 1.00 0.00 ? 55 GLU A HB2 3 ATOM 3865 H HB3 . GLU A 1 55 ? 7.841 25.703 5.526 1.00 0.00 ? 55 GLU A HB3 3 ATOM 3866 H HG2 . GLU A 1 55 ? 9.242 23.718 5.818 1.00 0.00 ? 55 GLU A HG2 3 ATOM 3867 H HG3 . GLU A 1 55 ? 10.361 24.339 4.606 1.00 0.00 ? 55 GLU A HG3 3 ATOM 3868 N N . GLN A 1 56 ? 5.818 24.225 5.069 1.00 0.00 ? 56 GLN A N 3 ATOM 3869 C CA . GLN A 1 56 ? 4.819 23.411 5.753 1.00 0.00 ? 56 GLN A CA 3 ATOM 3870 C C . GLN A 1 56 ? 4.172 22.421 4.790 1.00 0.00 ? 56 GLN A C 3 ATOM 3871 O O . GLN A 1 56 ? 4.265 21.208 4.977 1.00 0.00 ? 56 GLN A O 3 ATOM 3872 C CB . GLN A 1 56 ? 3.747 24.303 6.381 1.00 0.00 ? 56 GLN A CB 3 ATOM 3873 C CG . GLN A 1 56 ? 4.308 25.351 7.330 1.00 0.00 ? 56 GLN A CG 3 ATOM 3874 C CD . GLN A 1 56 ? 3.334 25.720 8.433 1.00 0.00 ? 56 GLN A CD 3 ATOM 3875 O OE1 . GLN A 1 56 ? 2.515 26.625 8.275 1.00 0.00 ? 56 GLN A OE1 3 ATOM 3876 N NE2 . GLN A 1 56 ? 3.420 25.019 9.557 1.00 0.00 ? 56 GLN A NE2 3 ATOM 3877 H H . GLN A 1 56 ? 5.782 25.199 5.157 1.00 0.00 ? 56 GLN A H 3 ATOM 3878 H HA . GLN A 1 56 ? 5.319 22.860 6.534 1.00 0.00 ? 56 GLN A HA 3 ATOM 3879 H HB2 . GLN A 1 56 ? 3.212 24.812 5.594 1.00 0.00 ? 56 GLN A HB2 3 ATOM 3880 H HB3 . GLN A 1 56 ? 3.057 23.682 6.933 1.00 0.00 ? 56 GLN A HB3 3 ATOM 3881 H HG2 . GLN A 1 56 ? 5.209 24.963 7.782 1.00 0.00 ? 56 GLN A HG2 3 ATOM 3882 H HG3 . GLN A 1 56 ? 4.543 26.240 6.765 1.00 0.00 ? 56 GLN A HG3 3 ATOM 3883 H HE21 . GLN A 1 56 ? 4.098 24.313 9.612 1.00 0.00 ? 56 GLN A HE21 3 ATOM 3884 H HE22 . GLN A 1 56 ? 2.804 25.236 10.286 1.00 0.00 ? 56 GLN A HE22 3 ATOM 3885 N N . ALA A 1 57 ? 3.517 22.946 3.760 1.00 0.00 ? 57 ALA A N 3 ATOM 3886 C CA . ALA A 1 57 ? 2.856 22.108 2.767 1.00 0.00 ? 57 ALA A CA 3 ATOM 3887 C C . ALA A 1 57 ? 3.717 20.903 2.406 1.00 0.00 ? 57 ALA A C 3 ATOM 3888 O O . ALA A 1 57 ? 3.286 19.757 2.538 1.00 0.00 ? 57 ALA A O 3 ATOM 3889 C CB . ALA A 1 57 ? 2.532 22.921 1.522 1.00 0.00 ? 57 ALA A CB 3 ATOM 3890 H H . ALA A 1 57 ? 3.478 23.921 3.665 1.00 0.00 ? 57 ALA A H 3 ATOM 3891 H HA . ALA A 1 57 ? 1.925 21.759 3.191 1.00 0.00 ? 57 ALA A HA 3 ATOM 3892 H HB1 . ALA A 1 57 ? 1.762 23.641 1.754 1.00 0.00 ? 57 ALA A HB1 3 ATOM 3893 H HB2 . ALA A 1 57 ? 3.420 23.437 1.189 1.00 0.00 ? 57 ALA A HB2 3 ATOM 3894 H HB3 . ALA A 1 57 ? 2.185 22.260 0.742 1.00 0.00 ? 57 ALA A HB3 3 ATOM 3895 N N . HIS A 1 58 ? 4.936 21.168 1.948 1.00 0.00 ? 58 HIS A N 3 ATOM 3896 C CA . HIS A 1 58 ? 5.858 20.104 1.567 1.00 0.00 ? 58 HIS A CA 3 ATOM 3897 C C . HIS A 1 58 ? 6.024 19.097 2.701 1.00 0.00 ? 58 HIS A C 3 ATOM 3898 O O . HIS A 1 58 ? 5.803 17.899 2.518 1.00 0.00 ? 58 HIS A O 3 ATOM 3899 C CB . HIS A 1 58 ? 7.219 20.690 1.188 1.00 0.00 ? 58 HIS A CB 3 ATOM 3900 C CG . HIS A 1 58 ? 8.223 19.657 0.778 1.00 0.00 ? 58 HIS A CG 3 ATOM 3901 N ND1 . HIS A 1 58 ? 8.704 18.693 1.638 1.00 0.00 ? 58 HIS A ND1 3 ATOM 3902 C CD2 . HIS A 1 58 ? 8.836 19.441 -0.409 1.00 0.00 ? 58 HIS A CD2 3 ATOM 3903 C CE1 . HIS A 1 58 ? 9.571 17.929 0.999 1.00 0.00 ? 58 HIS A CE1 3 ATOM 3904 N NE2 . HIS A 1 58 ? 9.669 18.361 -0.246 1.00 0.00 ? 58 HIS A NE2 3 ATOM 3905 H H . HIS A 1 58 ? 5.223 22.101 1.865 1.00 0.00 ? 58 HIS A H 3 ATOM 3906 H HA . HIS A 1 58 ? 5.443 19.597 0.709 1.00 0.00 ? 58 HIS A HA 3 ATOM 3907 H HB2 . HIS A 1 58 ? 7.091 21.374 0.361 1.00 0.00 ? 58 HIS A HB2 3 ATOM 3908 H HB3 . HIS A 1 58 ? 7.620 21.228 2.034 1.00 0.00 ? 58 HIS A HB3 3 ATOM 3909 H HD1 . HIS A 1 58 ? 8.449 18.586 2.578 1.00 0.00 ? 58 HIS A HD1 3 ATOM 3910 H HD2 . HIS A 1 58 ? 8.698 20.011 -1.317 1.00 0.00 ? 58 HIS A HD2 3 ATOM 3911 H HE1 . HIS A 1 58 ? 10.108 17.092 1.420 1.00 0.00 ? 58 HIS A HE1 3 ATOM 3912 H HE2 . HIS A 1 58 ? 10.306 18.026 -0.911 1.00 0.00 ? 58 HIS A HE2 3 ATOM 3913 N N . LEU A 1 59 ? 6.414 19.589 3.871 1.00 0.00 ? 59 LEU A N 3 ATOM 3914 C CA . LEU A 1 59 ? 6.610 18.732 5.035 1.00 0.00 ? 59 LEU A CA 3 ATOM 3915 C C . LEU A 1 59 ? 5.422 17.795 5.227 1.00 0.00 ? 59 LEU A C 3 ATOM 3916 O O . LEU A 1 59 ? 5.588 16.579 5.328 1.00 0.00 ? 59 LEU A O 3 ATOM 3917 C CB . LEU A 1 59 ? 6.812 19.582 6.291 1.00 0.00 ? 59 LEU A CB 3 ATOM 3918 C CG . LEU A 1 59 ? 8.256 19.965 6.617 1.00 0.00 ? 59 LEU A CG 3 ATOM 3919 C CD1 . LEU A 1 59 ? 8.962 20.491 5.377 1.00 0.00 ? 59 LEU A CD1 3 ATOM 3920 C CD2 . LEU A 1 59 ? 8.294 20.999 7.733 1.00 0.00 ? 59 LEU A CD2 3 ATOM 3921 H H . LEU A 1 59 ? 6.575 20.552 3.955 1.00 0.00 ? 59 LEU A H 3 ATOM 3922 H HA . LEU A 1 59 ? 7.497 18.140 4.865 1.00 0.00 ? 59 LEU A HA 3 ATOM 3923 H HB2 . LEU A 1 59 ? 6.248 20.494 6.167 1.00 0.00 ? 59 LEU A HB2 3 ATOM 3924 H HB3 . LEU A 1 59 ? 6.418 19.028 7.131 1.00 0.00 ? 59 LEU A HB3 3 ATOM 3925 H HG . LEU A 1 59 ? 8.787 19.086 6.956 1.00 0.00 ? 59 LEU A HG 3 ATOM 3926 H HD11 . LEU A 1 59 ? 10.027 20.344 5.479 1.00 0.00 ? 59 LEU A HD11 3 ATOM 3927 H HD12 . LEU A 1 59 ? 8.753 21.544 5.263 1.00 0.00 ? 59 LEU A HD12 3 ATOM 3928 H HD13 . LEU A 1 59 ? 8.606 19.958 4.507 1.00 0.00 ? 59 LEU A HD13 3 ATOM 3929 H HD21 . LEU A 1 59 ? 7.368 21.555 7.740 1.00 0.00 ? 59 LEU A HD21 3 ATOM 3930 H HD22 . LEU A 1 59 ? 9.119 21.677 7.568 1.00 0.00 ? 59 LEU A HD22 3 ATOM 3931 H HD23 . LEU A 1 59 ? 8.422 20.499 8.682 1.00 0.00 ? 59 LEU A HD23 3 ATOM 3932 N N . SER A 1 60 ? 4.224 18.368 5.275 1.00 0.00 ? 60 SER A N 3 ATOM 3933 C CA . SER A 1 60 ? 3.008 17.584 5.456 1.00 0.00 ? 60 SER A CA 3 ATOM 3934 C C . SER A 1 60 ? 2.979 16.398 4.498 1.00 0.00 ? 60 SER A C 3 ATOM 3935 O O . SER A 1 60 ? 2.413 15.348 4.807 1.00 0.00 ? 60 SER A O 3 ATOM 3936 C CB . SER A 1 60 ? 1.774 18.461 5.238 1.00 0.00 ? 60 SER A CB 3 ATOM 3937 O OG . SER A 1 60 ? 1.484 19.230 6.392 1.00 0.00 ? 60 SER A OG 3 ATOM 3938 H H . SER A 1 60 ? 4.157 19.342 5.188 1.00 0.00 ? 60 SER A H 3 ATOM 3939 H HA . SER A 1 60 ? 3.001 17.213 6.470 1.00 0.00 ? 60 SER A HA 3 ATOM 3940 H HB2 . SER A 1 60 ? 1.952 19.130 4.410 1.00 0.00 ? 60 SER A HB2 3 ATOM 3941 H HB3 . SER A 1 60 ? 0.923 17.832 5.016 1.00 0.00 ? 60 SER A HB3 3 ATOM 3942 H HG . SER A 1 60 ? 2.303 19.460 6.838 1.00 0.00 ? 60 SER A HG 3 ATOM 3943 N N . LEU A 1 61 ? 3.593 16.571 3.333 1.00 0.00 ? 61 LEU A N 3 ATOM 3944 C CA . LEU A 1 61 ? 3.638 15.515 2.327 1.00 0.00 ? 61 LEU A CA 3 ATOM 3945 C C . LEU A 1 61 ? 4.805 14.567 2.585 1.00 0.00 ? 61 LEU A C 3 ATOM 3946 O O . LEU A 1 61 ? 4.606 13.379 2.837 1.00 0.00 ? 61 LEU A O 3 ATOM 3947 C CB . LEU A 1 61 ? 3.759 16.121 0.928 1.00 0.00 ? 61 LEU A CB 3 ATOM 3948 C CG . LEU A 1 61 ? 2.756 17.223 0.584 1.00 0.00 ? 61 LEU A CG 3 ATOM 3949 C CD1 . LEU A 1 61 ? 3.321 18.144 -0.486 1.00 0.00 ? 61 LEU A CD1 3 ATOM 3950 C CD2 . LEU A 1 61 ? 1.436 16.619 0.129 1.00 0.00 ? 61 LEU A CD2 3 ATOM 3951 H H . LEU A 1 61 ? 4.026 17.429 3.143 1.00 0.00 ? 61 LEU A H 3 ATOM 3952 H HA . LEU A 1 61 ? 2.716 14.958 2.390 1.00 0.00 ? 61 LEU A HA 3 ATOM 3953 H HB2 . LEU A 1 61 ? 4.751 16.536 0.832 1.00 0.00 ? 61 LEU A HB2 3 ATOM 3954 H HB3 . LEU A 1 61 ? 3.634 15.323 0.210 1.00 0.00 ? 61 LEU A HB3 3 ATOM 3955 H HG . LEU A 1 61 ? 2.566 17.817 1.468 1.00 0.00 ? 61 LEU A HG 3 ATOM 3956 H HD11 . LEU A 1 61 ? 4.384 18.256 -0.340 1.00 0.00 ? 61 LEU A HD11 3 ATOM 3957 H HD12 . LEU A 1 61 ? 2.844 19.111 -0.417 1.00 0.00 ? 61 LEU A HD12 3 ATOM 3958 H HD13 . LEU A 1 61 ? 3.133 17.720 -1.462 1.00 0.00 ? 61 LEU A HD13 3 ATOM 3959 H HD21 . LEU A 1 61 ? 0.766 16.540 0.973 1.00 0.00 ? 61 LEU A HD21 3 ATOM 3960 H HD22 . LEU A 1 61 ? 1.613 15.636 -0.283 1.00 0.00 ? 61 LEU A HD22 3 ATOM 3961 H HD23 . LEU A 1 61 ? 0.992 17.252 -0.625 1.00 0.00 ? 61 LEU A HD23 3 ATOM 3962 N N . GLU A 1 62 ? 6.020 15.102 2.524 1.00 0.00 ? 62 GLU A N 3 ATOM 3963 C CA . GLU A 1 62 ? 7.218 14.302 2.752 1.00 0.00 ? 62 GLU A CA 3 ATOM 3964 C C . GLU A 1 62 ? 6.994 13.296 3.878 1.00 0.00 ? 62 GLU A C 3 ATOM 3965 O O . GLU A 1 62 ? 7.471 12.162 3.816 1.00 0.00 ? 62 GLU A O 3 ATOM 3966 C CB . GLU A 1 62 ? 8.405 15.207 3.091 1.00 0.00 ? 62 GLU A CB 3 ATOM 3967 C CG . GLU A 1 62 ? 8.536 15.509 4.575 1.00 0.00 ? 62 GLU A CG 3 ATOM 3968 C CD . GLU A 1 62 ? 9.815 16.251 4.908 1.00 0.00 ? 62 GLU A CD 3 ATOM 3969 O OE1 . GLU A 1 62 ? 10.131 17.235 4.207 1.00 0.00 ? 62 GLU A OE1 3 ATOM 3970 O OE2 . GLU A 1 62 ? 10.501 15.848 5.871 1.00 0.00 ? 62 GLU A OE2 3 ATOM 3971 H H . GLU A 1 62 ? 6.114 16.055 2.319 1.00 0.00 ? 62 GLU A H 3 ATOM 3972 H HA . GLU A 1 62 ? 7.436 13.764 1.843 1.00 0.00 ? 62 GLU A HA 3 ATOM 3973 H HB2 . GLU A 1 62 ? 9.314 14.726 2.761 1.00 0.00 ? 62 GLU A HB2 3 ATOM 3974 H HB3 . GLU A 1 62 ? 8.290 16.142 2.564 1.00 0.00 ? 62 GLU A HB3 3 ATOM 3975 H HG2 . GLU A 1 62 ? 7.696 16.115 4.881 1.00 0.00 ? 62 GLU A HG2 3 ATOM 3976 H HG3 . GLU A 1 62 ? 8.524 14.577 5.121 1.00 0.00 ? 62 GLU A HG3 3 ATOM 3977 N N . LEU A 1 63 ? 6.265 13.719 4.905 1.00 0.00 ? 63 LEU A N 3 ATOM 3978 C CA . LEU A 1 63 ? 5.977 12.856 6.045 1.00 0.00 ? 63 LEU A CA 3 ATOM 3979 C C . LEU A 1 63 ? 4.959 11.783 5.673 1.00 0.00 ? 63 LEU A C 3 ATOM 3980 O O . LEU A 1 63 ? 5.246 10.589 5.752 1.00 0.00 ? 63 LEU A O 3 ATOM 3981 C CB . LEU A 1 63 ? 5.454 13.686 7.219 1.00 0.00 ? 63 LEU A CB 3 ATOM 3982 C CG . LEU A 1 63 ? 6.496 14.509 7.977 1.00 0.00 ? 63 LEU A CG 3 ATOM 3983 C CD1 . LEU A 1 63 ? 5.823 15.423 8.988 1.00 0.00 ? 63 LEU A CD1 3 ATOM 3984 C CD2 . LEU A 1 63 ? 7.498 13.594 8.666 1.00 0.00 ? 63 LEU A CD2 3 ATOM 3985 H H . LEU A 1 63 ? 5.912 14.632 4.897 1.00 0.00 ? 63 LEU A H 3 ATOM 3986 H HA . LEU A 1 63 ? 6.899 12.375 6.338 1.00 0.00 ? 63 LEU A HA 3 ATOM 3987 H HB2 . LEU A 1 63 ? 4.710 14.368 6.835 1.00 0.00 ? 63 LEU A HB2 3 ATOM 3988 H HB3 . LEU A 1 63 ? 4.990 13.008 7.921 1.00 0.00 ? 63 LEU A HB3 3 ATOM 3989 H HG . LEU A 1 63 ? 7.036 15.129 7.275 1.00 0.00 ? 63 LEU A HG 3 ATOM 3990 H HD11 . LEU A 1 63 ? 5.408 14.830 9.789 1.00 0.00 ? 63 LEU A HD11 3 ATOM 3991 H HD12 . LEU A 1 63 ? 5.032 15.976 8.503 1.00 0.00 ? 63 LEU A HD12 3 ATOM 3992 H HD13 . LEU A 1 63 ? 6.550 16.114 9.389 1.00 0.00 ? 63 LEU A HD13 3 ATOM 3993 H HD21 . LEU A 1 63 ? 8.471 13.721 8.214 1.00 0.00 ? 63 LEU A HD21 3 ATOM 3994 H HD22 . LEU A 1 63 ? 7.182 12.567 8.558 1.00 0.00 ? 63 LEU A HD22 3 ATOM 3995 H HD23 . LEU A 1 63 ? 7.553 13.846 9.715 1.00 0.00 ? 63 LEU A HD23 3 ATOM 3996 N N . GLN A 1 64 ? 3.772 12.217 5.264 1.00 0.00 ? 64 GLN A N 3 ATOM 3997 C CA . GLN A 1 64 ? 2.712 11.293 4.878 1.00 0.00 ? 64 GLN A CA 3 ATOM 3998 C C . GLN A 1 64 ? 3.231 10.250 3.894 1.00 0.00 ? 64 GLN A C 3 ATOM 3999 O O . GLN A 1 64 ? 2.784 9.104 3.896 1.00 0.00 ? 64 GLN A O 3 ATOM 4000 C CB . GLN A 1 64 ? 1.540 12.057 4.259 1.00 0.00 ? 64 GLN A CB 3 ATOM 4001 C CG . GLN A 1 64 ? 0.288 11.213 4.083 1.00 0.00 ? 64 GLN A CG 3 ATOM 4002 C CD . GLN A 1 64 ? -0.468 11.014 5.382 1.00 0.00 ? 64 GLN A CD 3 ATOM 4003 O OE1 . GLN A 1 64 ? -0.491 9.916 5.938 1.00 0.00 ? 64 GLN A OE1 3 ATOM 4004 N NE2 . GLN A 1 64 ? -1.093 12.078 5.873 1.00 0.00 ? 64 GLN A NE2 3 ATOM 4005 H H . GLN A 1 64 ? 3.604 13.181 5.222 1.00 0.00 ? 64 GLN A H 3 ATOM 4006 H HA . GLN A 1 64 ? 2.370 10.789 5.770 1.00 0.00 ? 64 GLN A HA 3 ATOM 4007 H HB2 . GLN A 1 64 ? 1.297 12.896 4.894 1.00 0.00 ? 64 GLN A HB2 3 ATOM 4008 H HB3 . GLN A 1 64 ? 1.839 12.425 3.289 1.00 0.00 ? 64 GLN A HB3 3 ATOM 4009 H HG2 . GLN A 1 64 ? -0.365 11.703 3.376 1.00 0.00 ? 64 GLN A HG2 3 ATOM 4010 H HG3 . GLN A 1 64 ? 0.574 10.246 3.697 1.00 0.00 ? 64 GLN A HG3 3 ATOM 4011 H HE21 . GLN A 1 64 ? -1.032 12.921 5.375 1.00 0.00 ? 64 GLN A HE21 3 ATOM 4012 H HE22 . GLN A 1 64 ? -1.590 11.978 6.710 1.00 0.00 ? 64 GLN A HE22 3 ATOM 4013 N N . ARG A 1 65 ? 4.178 10.657 3.054 1.00 0.00 ? 65 ARG A N 3 ATOM 4014 C CA . ARG A 1 65 ? 4.757 9.758 2.063 1.00 0.00 ? 65 ARG A CA 3 ATOM 4015 C C . ARG A 1 65 ? 5.554 8.645 2.738 1.00 0.00 ? 65 ARG A C 3 ATOM 4016 O O . ARG A 1 65 ? 5.522 7.494 2.303 1.00 0.00 ? 65 ARG A O 3 ATOM 4017 C CB . ARG A 1 65 ? 5.659 10.535 1.103 1.00 0.00 ? 65 ARG A CB 3 ATOM 4018 C CG . ARG A 1 65 ? 6.131 9.716 -0.087 1.00 0.00 ? 65 ARG A CG 3 ATOM 4019 C CD . ARG A 1 65 ? 6.357 10.591 -1.311 1.00 0.00 ? 65 ARG A CD 3 ATOM 4020 N NE . ARG A 1 65 ? 7.341 10.013 -2.222 1.00 0.00 ? 65 ARG A NE 3 ATOM 4021 C CZ . ARG A 1 65 ? 8.654 10.096 -2.036 1.00 0.00 ? 65 ARG A CZ 3 ATOM 4022 N NH1 . ARG A 1 65 ? 9.137 10.729 -0.976 1.00 0.00 ? 65 ARG A NH1 3 ATOM 4023 N NH2 . ARG A 1 65 ? 9.486 9.544 -2.910 1.00 0.00 ? 65 ARG A NH2 3 ATOM 4024 H H . ARG A 1 65 ? 4.494 11.583 3.101 1.00 0.00 ? 65 ARG A H 3 ATOM 4025 H HA . ARG A 1 65 ? 3.947 9.315 1.503 1.00 0.00 ? 65 ARG A HA 3 ATOM 4026 H HB2 . ARG A 1 65 ? 5.115 11.391 0.729 1.00 0.00 ? 65 ARG A HB2 3 ATOM 4027 H HB3 . ARG A 1 65 ? 6.528 10.879 1.643 1.00 0.00 ? 65 ARG A HB3 3 ATOM 4028 H HG2 . ARG A 1 65 ? 7.060 9.228 0.169 1.00 0.00 ? 65 ARG A HG2 3 ATOM 4029 H HG3 . ARG A 1 65 ? 5.384 8.973 -0.320 1.00 0.00 ? 65 ARG A HG3 3 ATOM 4030 H HD2 . ARG A 1 65 ? 5.420 10.705 -1.834 1.00 0.00 ? 65 ARG A HD2 3 ATOM 4031 H HD3 . ARG A 1 65 ? 6.707 11.559 -0.985 1.00 0.00 ? 65 ARG A HD3 3 ATOM 4032 H HE . ARG A 1 65 ? 7.006 9.541 -3.012 1.00 0.00 ? 65 ARG A HE 3 ATOM 4033 H HH11 . ARG A 1 65 ? 8.513 11.144 -0.315 1.00 0.00 ? 65 ARG A HH11 3 ATOM 4034 H HH12 . ARG A 1 65 ? 10.126 10.788 -0.837 1.00 0.00 ? 65 ARG A HH12 3 ATOM 4035 H HH21 . ARG A 1 65 ? 9.125 9.065 -3.710 1.00 0.00 ? 65 ARG A HH21 3 ATOM 4036 H HH22 . ARG A 1 65 ? 10.473 9.607 -2.769 1.00 0.00 ? 65 ARG A HH22 3 ATOM 4037 N N . ASP A 1 66 ? 6.268 8.998 3.801 1.00 0.00 ? 66 ASP A N 3 ATOM 4038 C CA . ASP A 1 66 ? 7.073 8.029 4.537 1.00 0.00 ? 66 ASP A CA 3 ATOM 4039 C C . ASP A 1 66 ? 6.319 6.714 4.708 1.00 0.00 ? 66 ASP A C 3 ATOM 4040 O O . ASP A 1 66 ? 6.730 5.679 4.183 1.00 0.00 ? 66 ASP A O 3 ATOM 4041 C CB . ASP A 1 66 ? 7.460 8.591 5.905 1.00 0.00 ? 66 ASP A CB 3 ATOM 4042 C CG . ASP A 1 66 ? 8.117 7.552 6.793 1.00 0.00 ? 66 ASP A CG 3 ATOM 4043 O OD1 . ASP A 1 66 ? 9.338 7.337 6.650 1.00 0.00 ? 66 ASP A OD1 3 ATOM 4044 O OD2 . ASP A 1 66 ? 7.409 6.954 7.630 1.00 0.00 ? 66 ASP A OD2 3 ATOM 4045 H H . ASP A 1 66 ? 6.252 9.931 4.099 1.00 0.00 ? 66 ASP A H 3 ATOM 4046 H HA . ASP A 1 66 ? 7.970 7.844 3.967 1.00 0.00 ? 66 ASP A HA 3 ATOM 4047 H HB2 . ASP A 1 66 ? 8.152 9.410 5.769 1.00 0.00 ? 66 ASP A HB2 3 ATOM 4048 H HB3 . ASP A 1 66 ? 6.573 8.955 6.402 1.00 0.00 ? 66 ASP A HB3 3 ATOM 4049 N N . SER A 1 67 ? 5.215 6.762 5.446 1.00 0.00 ? 67 SER A N 3 ATOM 4050 C CA . SER A 1 67 ? 4.406 5.574 5.691 1.00 0.00 ? 67 SER A CA 3 ATOM 4051 C C . SER A 1 67 ? 4.117 4.836 4.387 1.00 0.00 ? 67 SER A C 3 ATOM 4052 O O . SER A 1 67 ? 4.470 3.666 4.231 1.00 0.00 ? 67 SER A O 3 ATOM 4053 C CB . SER A 1 67 ? 3.092 5.957 6.375 1.00 0.00 ? 67 SER A CB 3 ATOM 4054 O OG . SER A 1 67 ? 2.347 6.860 5.578 1.00 0.00 ? 67 SER A OG 3 ATOM 4055 H H . SER A 1 67 ? 4.939 7.618 5.838 1.00 0.00 ? 67 SER A H 3 ATOM 4056 H HA . SER A 1 67 ? 4.965 4.921 6.344 1.00 0.00 ? 67 SER A HA 3 ATOM 4057 H HB2 . SER A 1 67 ? 2.502 5.068 6.538 1.00 0.00 ? 67 SER A HB2 3 ATOM 4058 H HB3 . SER A 1 67 ? 3.308 6.426 7.324 1.00 0.00 ? 67 SER A HB3 3 ATOM 4059 H HG . SER A 1 67 ? 1.589 6.406 5.202 1.00 0.00 ? 67 SER A HG 3 ATOM 4060 N N . HIS A 1 68 ? 3.473 5.527 3.453 1.00 0.00 ? 68 HIS A N 3 ATOM 4061 C CA . HIS A 1 68 ? 3.136 4.939 2.162 1.00 0.00 ? 68 HIS A CA 3 ATOM 4062 C C . HIS A 1 68 ? 4.250 4.015 1.679 1.00 0.00 ? 68 HIS A C 3 ATOM 4063 O O . HIS A 1 68 ? 4.002 3.059 0.944 1.00 0.00 ? 68 HIS A O 3 ATOM 4064 C CB . HIS A 1 68 ? 2.883 6.036 1.127 1.00 0.00 ? 68 HIS A CB 3 ATOM 4065 C CG . HIS A 1 68 ? 1.468 6.528 1.109 1.00 0.00 ? 68 HIS A CG 3 ATOM 4066 N ND1 . HIS A 1 68 ? 0.392 5.712 0.830 1.00 0.00 ? 68 HIS A ND1 3 ATOM 4067 C CD2 . HIS A 1 68 ? 0.956 7.759 1.340 1.00 0.00 ? 68 HIS A CD2 3 ATOM 4068 C CE1 . HIS A 1 68 ? -0.721 6.421 0.888 1.00 0.00 ? 68 HIS A CE1 3 ATOM 4069 N NE2 . HIS A 1 68 ? -0.407 7.667 1.196 1.00 0.00 ? 68 HIS A NE2 3 ATOM 4070 H H . HIS A 1 68 ? 3.218 6.456 3.636 1.00 0.00 ? 68 HIS A H 3 ATOM 4071 H HA . HIS A 1 68 ? 2.234 4.359 2.286 1.00 0.00 ? 68 HIS A HA 3 ATOM 4072 H HB2 . HIS A 1 68 ? 3.524 6.879 1.342 1.00 0.00 ? 68 HIS A HB2 3 ATOM 4073 H HB3 . HIS A 1 68 ? 3.115 5.655 0.143 1.00 0.00 ? 68 HIS A HB3 3 ATOM 4074 H HD1 . HIS A 1 68 ? 0.437 4.757 0.619 1.00 0.00 ? 68 HIS A HD1 3 ATOM 4075 H HD2 . HIS A 1 68 ? 1.515 8.650 1.591 1.00 0.00 ? 68 HIS A HD2 3 ATOM 4076 H HE1 . HIS A 1 68 ? -1.719 6.047 0.713 1.00 0.00 ? 68 HIS A HE1 3 ATOM 4077 H HE2 . HIS A 1 68 ? -1.035 8.418 1.219 1.00 0.00 ? 68 HIS A HE2 3 ATOM 4078 N N . MET A 1 69 ? 5.478 4.308 2.096 1.00 0.00 ? 69 MET A N 3 ATOM 4079 C CA . MET A 1 69 ? 6.629 3.503 1.705 1.00 0.00 ? 69 MET A CA 3 ATOM 4080 C C . MET A 1 69 ? 6.969 2.481 2.785 1.00 0.00 ? 69 MET A C 3 ATOM 4081 O O . MET A 1 69 ? 7.299 1.333 2.486 1.00 0.00 ? 69 MET A O 3 ATOM 4082 C CB . MET A 1 69 ? 7.839 4.401 1.438 1.00 0.00 ? 69 MET A CB 3 ATOM 4083 C CG . MET A 1 69 ? 7.789 5.104 0.092 1.00 0.00 ? 69 MET A CG 3 ATOM 4084 S SD . MET A 1 69 ? 8.605 4.165 -1.213 1.00 0.00 ? 69 MET A SD 3 ATOM 4085 C CE . MET A 1 69 ? 8.071 2.501 -0.818 1.00 0.00 ? 69 MET A CE 3 ATOM 4086 H H . MET A 1 69 ? 5.612 5.083 2.680 1.00 0.00 ? 69 MET A H 3 ATOM 4087 H HA . MET A 1 69 ? 6.374 2.979 0.797 1.00 0.00 ? 69 MET A HA 3 ATOM 4088 H HB2 . MET A 1 69 ? 7.891 5.153 2.211 1.00 0.00 ? 69 MET A HB2 3 ATOM 4089 H HB3 . MET A 1 69 ? 8.734 3.799 1.472 1.00 0.00 ? 69 MET A HB3 3 ATOM 4090 H HG2 . MET A 1 69 ? 6.755 5.252 -0.184 1.00 0.00 ? 69 MET A HG2 3 ATOM 4091 H HG3 . MET A 1 69 ? 8.275 6.064 0.184 1.00 0.00 ? 69 MET A HG3 3 ATOM 4092 H HE1 . MET A 1 69 ? 8.641 1.792 -1.399 1.00 0.00 ? 69 MET A HE1 3 ATOM 4093 H HE2 . MET A 1 69 ? 8.228 2.314 0.234 1.00 0.00 ? 69 MET A HE2 3 ATOM 4094 H HE3 . MET A 1 69 ? 7.021 2.396 -1.050 1.00 0.00 ? 69 MET A HE3 3 ATOM 4095 N N . LYS A 1 70 ? 6.886 2.904 4.042 1.00 0.00 ? 70 LYS A N 3 ATOM 4096 C CA . LYS A 1 70 ? 7.183 2.025 5.167 1.00 0.00 ? 70 LYS A CA 3 ATOM 4097 C C . LYS A 1 70 ? 6.368 0.739 5.083 1.00 0.00 ? 70 LYS A C 3 ATOM 4098 O O . LYS A 1 70 ? 6.892 -0.353 5.298 1.00 0.00 ? 70 LYS A O 3 ATOM 4099 C CB . LYS A 1 70 ? 6.893 2.740 6.489 1.00 0.00 ? 70 LYS A CB 3 ATOM 4100 C CG . LYS A 1 70 ? 5.479 2.523 7.000 1.00 0.00 ? 70 LYS A CG 3 ATOM 4101 C CD . LYS A 1 70 ? 5.215 3.323 8.264 1.00 0.00 ? 70 LYS A CD 3 ATOM 4102 C CE . LYS A 1 70 ? 5.600 2.540 9.510 1.00 0.00 ? 70 LYS A CE 3 ATOM 4103 N NZ . LYS A 1 70 ? 4.509 1.629 9.953 1.00 0.00 ? 70 LYS A NZ 3 ATOM 4104 H H . LYS A 1 70 ? 6.617 3.831 4.217 1.00 0.00 ? 70 LYS A H 3 ATOM 4105 H HA . LYS A 1 70 ? 8.232 1.776 5.125 1.00 0.00 ? 70 LYS A HA 3 ATOM 4106 H HB2 . LYS A 1 70 ? 7.583 2.380 7.237 1.00 0.00 ? 70 LYS A HB2 3 ATOM 4107 H HB3 . LYS A 1 70 ? 7.045 3.801 6.352 1.00 0.00 ? 70 LYS A HB3 3 ATOM 4108 H HG2 . LYS A 1 70 ? 4.779 2.833 6.238 1.00 0.00 ? 70 LYS A HG2 3 ATOM 4109 H HG3 . LYS A 1 70 ? 5.340 1.473 7.213 1.00 0.00 ? 70 LYS A HG3 3 ATOM 4110 H HD2 . LYS A 1 70 ? 5.794 4.234 8.232 1.00 0.00 ? 70 LYS A HD2 3 ATOM 4111 H HD3 . LYS A 1 70 ? 4.162 3.566 8.313 1.00 0.00 ? 70 LYS A HD3 3 ATOM 4112 H HE2 . LYS A 1 70 ? 6.480 1.955 9.293 1.00 0.00 ? 70 LYS A HE2 3 ATOM 4113 H HE3 . LYS A 1 70 ? 5.819 3.238 10.304 1.00 0.00 ? 70 LYS A HE3 3 ATOM 4114 H HZ1 . LYS A 1 70 ? 4.909 0.801 10.437 1.00 0.00 ? 70 LYS A HZ1 3 ATOM 4115 H HZ2 . LYS A 1 70 ? 3.959 1.305 9.131 1.00 0.00 ? 70 LYS A HZ2 3 ATOM 4116 H HZ3 . LYS A 1 70 ? 3.872 2.126 10.608 1.00 0.00 ? 70 LYS A HZ3 3 ATOM 4117 N N . GLN A 1 71 ? 5.084 0.877 4.767 1.00 0.00 ? 71 GLN A N 3 ATOM 4118 C CA . GLN A 1 71 ? 4.198 -0.276 4.654 1.00 0.00 ? 71 GLN A CA 3 ATOM 4119 C C . GLN A 1 71 ? 4.615 -1.171 3.492 1.00 0.00 ? 71 GLN A C 3 ATOM 4120 O O . GLN A 1 71 ? 4.573 -2.398 3.594 1.00 0.00 ? 71 GLN A O 3 ATOM 4121 C CB . GLN A 1 71 ? 2.751 0.183 4.465 1.00 0.00 ? 71 GLN A CB 3 ATOM 4122 C CG . GLN A 1 71 ? 2.069 0.594 5.760 1.00 0.00 ? 71 GLN A CG 3 ATOM 4123 C CD . GLN A 1 71 ? 1.757 -0.589 6.656 1.00 0.00 ? 71 GLN A CD 3 ATOM 4124 O OE1 . GLN A 1 71 ? 0.880 -1.398 6.352 1.00 0.00 ? 71 GLN A OE1 3 ATOM 4125 N NE2 . GLN A 1 71 ? 2.476 -0.696 7.767 1.00 0.00 ? 71 GLN A NE2 3 ATOM 4126 H H . GLN A 1 71 ? 4.725 1.773 4.607 1.00 0.00 ? 71 GLN A H 3 ATOM 4127 H HA . GLN A 1 71 ? 4.270 -0.840 5.571 1.00 0.00 ? 71 GLN A HA 3 ATOM 4128 H HB2 . GLN A 1 71 ? 2.739 1.029 3.793 1.00 0.00 ? 71 GLN A HB2 3 ATOM 4129 H HB3 . GLN A 1 71 ? 2.184 -0.624 4.026 1.00 0.00 ? 71 GLN A HB3 3 ATOM 4130 H HG2 . GLN A 1 71 ? 2.719 1.269 6.296 1.00 0.00 ? 71 GLN A HG2 3 ATOM 4131 H HG3 . GLN A 1 71 ? 1.145 1.099 5.521 1.00 0.00 ? 71 GLN A HG3 3 ATOM 4132 H HE21 . GLN A 1 71 ? 3.157 -0.014 7.945 1.00 0.00 ? 71 GLN A HE21 3 ATOM 4133 H HE22 . GLN A 1 71 ? 2.295 -1.450 8.365 1.00 0.00 ? 71 GLN A HE22 3 ATOM 4134 N N . LEU A 1 72 ? 5.017 -0.551 2.388 1.00 0.00 ? 72 LEU A N 3 ATOM 4135 C CA . LEU A 1 72 ? 5.442 -1.292 1.206 1.00 0.00 ? 72 LEU A CA 3 ATOM 4136 C C . LEU A 1 72 ? 6.570 -2.261 1.547 1.00 0.00 ? 72 LEU A C 3 ATOM 4137 O O . LEU A 1 72 ? 6.506 -3.446 1.219 1.00 0.00 ? 72 LEU A O 3 ATOM 4138 C CB . LEU A 1 72 ? 5.898 -0.326 0.111 1.00 0.00 ? 72 LEU A CB 3 ATOM 4139 C CG . LEU A 1 72 ? 6.383 -0.967 -1.190 1.00 0.00 ? 72 LEU A CG 3 ATOM 4140 C CD1 . LEU A 1 72 ? 5.557 -2.201 -1.518 1.00 0.00 ? 72 LEU A CD1 3 ATOM 4141 C CD2 . LEU A 1 72 ? 6.325 0.036 -2.333 1.00 0.00 ? 72 LEU A CD2 3 ATOM 4142 H H . LEU A 1 72 ? 5.029 0.428 2.367 1.00 0.00 ? 72 LEU A H 3 ATOM 4143 H HA . LEU A 1 72 ? 4.595 -1.857 0.847 1.00 0.00 ? 72 LEU A HA 3 ATOM 4144 H HB2 . LEU A 1 72 ? 5.066 0.318 -0.129 1.00 0.00 ? 72 LEU A HB2 3 ATOM 4145 H HB3 . LEU A 1 72 ? 6.707 0.268 0.511 1.00 0.00 ? 72 LEU A HB3 3 ATOM 4146 H HG . LEU A 1 72 ? 7.412 -1.278 -1.069 1.00 0.00 ? 72 LEU A HG 3 ATOM 4147 H HD11 . LEU A 1 72 ? 6.024 -2.742 -2.327 1.00 0.00 ? 72 LEU A HD11 3 ATOM 4148 H HD12 . LEU A 1 72 ? 4.563 -1.900 -1.813 1.00 0.00 ? 72 LEU A HD12 3 ATOM 4149 H HD13 . LEU A 1 72 ? 5.497 -2.836 -0.646 1.00 0.00 ? 72 LEU A HD13 3 ATOM 4150 H HD21 . LEU A 1 72 ? 5.365 0.532 -2.327 1.00 0.00 ? 72 LEU A HD21 3 ATOM 4151 H HD22 . LEU A 1 72 ? 6.457 -0.481 -3.272 1.00 0.00 ? 72 LEU A HD22 3 ATOM 4152 H HD23 . LEU A 1 72 ? 7.109 0.768 -2.210 1.00 0.00 ? 72 LEU A HD23 3 ATOM 4153 N N . LEU A 1 73 ? 7.602 -1.750 2.209 1.00 0.00 ? 73 LEU A N 3 ATOM 4154 C CA . LEU A 1 73 ? 8.745 -2.570 2.597 1.00 0.00 ? 73 LEU A CA 3 ATOM 4155 C C . LEU A 1 73 ? 8.310 -3.710 3.512 1.00 0.00 ? 73 LEU A C 3 ATOM 4156 O O . LEU A 1 73 ? 8.904 -4.789 3.502 1.00 0.00 ? 73 LEU A O 3 ATOM 4157 C CB . LEU A 1 73 ? 9.799 -1.711 3.298 1.00 0.00 ? 73 LEU A CB 3 ATOM 4158 C CG . LEU A 1 73 ? 10.081 -0.347 2.668 1.00 0.00 ? 73 LEU A CG 3 ATOM 4159 C CD1 . LEU A 1 73 ? 11.251 0.331 3.364 1.00 0.00 ? 73 LEU A CD1 3 ATOM 4160 C CD2 . LEU A 1 73 ? 10.355 -0.493 1.179 1.00 0.00 ? 73 LEU A CD2 3 ATOM 4161 H H . LEU A 1 73 ? 7.597 -0.798 2.443 1.00 0.00 ? 73 LEU A H 3 ATOM 4162 H HA . LEU A 1 73 ? 9.173 -2.988 1.698 1.00 0.00 ? 73 LEU A HA 3 ATOM 4163 H HB2 . LEU A 1 73 ? 9.469 -1.546 4.312 1.00 0.00 ? 73 LEU A HB2 3 ATOM 4164 H HB3 . LEU A 1 73 ? 10.725 -2.269 3.309 1.00 0.00 ? 73 LEU A HB3 3 ATOM 4165 H HG . LEU A 1 73 ? 9.211 0.285 2.789 1.00 0.00 ? 73 LEU A HG 3 ATOM 4166 H HD11 . LEU A 1 73 ? 12.048 -0.384 3.507 1.00 0.00 ? 73 LEU A HD11 3 ATOM 4167 H HD12 . LEU A 1 73 ? 10.930 0.709 4.323 1.00 0.00 ? 73 LEU A HD12 3 ATOM 4168 H HD13 . LEU A 1 73 ? 11.607 1.149 2.755 1.00 0.00 ? 73 LEU A HD13 3 ATOM 4169 H HD21 . LEU A 1 73 ? 11.339 -0.913 1.034 1.00 0.00 ? 73 LEU A HD21 3 ATOM 4170 H HD22 . LEU A 1 73 ? 10.305 0.478 0.706 1.00 0.00 ? 73 LEU A HD22 3 ATOM 4171 H HD23 . LEU A 1 73 ? 9.616 -1.146 0.739 1.00 0.00 ? 73 LEU A HD23 3 ATOM 4172 N N . LEU A 1 74 ? 7.270 -3.465 4.301 1.00 0.00 ? 74 LEU A N 3 ATOM 4173 C CA . LEU A 1 74 ? 6.754 -4.472 5.221 1.00 0.00 ? 74 LEU A CA 3 ATOM 4174 C C . LEU A 1 74 ? 5.934 -5.521 4.476 1.00 0.00 ? 74 LEU A C 3 ATOM 4175 O O . LEU A 1 74 ? 6.032 -6.716 4.760 1.00 0.00 ? 74 LEU A O 3 ATOM 4176 C CB . LEU A 1 74 ? 5.897 -3.812 6.302 1.00 0.00 ? 74 LEU A CB 3 ATOM 4177 C CG . LEU A 1 74 ? 6.647 -3.293 7.530 1.00 0.00 ? 74 LEU A CG 3 ATOM 4178 C CD1 . LEU A 1 74 ? 5.735 -2.430 8.387 1.00 0.00 ? 74 LEU A CD1 3 ATOM 4179 C CD2 . LEU A 1 74 ? 7.206 -4.452 8.342 1.00 0.00 ? 74 LEU A CD2 3 ATOM 4180 H H . LEU A 1 74 ? 6.838 -2.587 4.264 1.00 0.00 ? 74 LEU A H 3 ATOM 4181 H HA . LEU A 1 74 ? 7.598 -4.958 5.689 1.00 0.00 ? 74 LEU A HA 3 ATOM 4182 H HB2 . LEU A 1 74 ? 5.382 -2.977 5.852 1.00 0.00 ? 74 LEU A HB2 3 ATOM 4183 H HB3 . LEU A 1 74 ? 5.172 -4.540 6.639 1.00 0.00 ? 74 LEU A HB3 3 ATOM 4184 H HG . LEU A 1 74 ? 7.476 -2.681 7.205 1.00 0.00 ? 74 LEU A HG 3 ATOM 4185 H HD11 . LEU A 1 74 ? 5.494 -1.522 7.855 1.00 0.00 ? 74 LEU A HD11 3 ATOM 4186 H HD12 . LEU A 1 74 ? 6.237 -2.183 9.311 1.00 0.00 ? 74 LEU A HD12 3 ATOM 4187 H HD13 . LEU A 1 74 ? 4.826 -2.972 8.605 1.00 0.00 ? 74 LEU A HD13 3 ATOM 4188 H HD21 . LEU A 1 74 ? 7.619 -5.194 7.674 1.00 0.00 ? 74 LEU A HD21 3 ATOM 4189 H HD22 . LEU A 1 74 ? 6.414 -4.897 8.927 1.00 0.00 ? 74 LEU A HD22 3 ATOM 4190 H HD23 . LEU A 1 74 ? 7.981 -4.089 9.001 1.00 0.00 ? 74 LEU A HD23 3 ATOM 4191 N N . ILE A 1 75 ? 5.128 -5.067 3.523 1.00 0.00 ? 75 ILE A N 3 ATOM 4192 C CA . ILE A 1 75 ? 4.295 -5.967 2.735 1.00 0.00 ? 75 ILE A CA 3 ATOM 4193 C C . ILE A 1 75 ? 5.145 -6.863 1.841 1.00 0.00 ? 75 ILE A C 3 ATOM 4194 O O . ILE A 1 75 ? 5.020 -8.087 1.875 1.00 0.00 ? 75 ILE A O 3 ATOM 4195 C CB . ILE A 1 75 ? 3.296 -5.187 1.860 1.00 0.00 ? 75 ILE A CB 3 ATOM 4196 C CG1 . ILE A 1 75 ? 2.311 -4.413 2.738 1.00 0.00 ? 75 ILE A CG1 3 ATOM 4197 C CG2 . ILE A 1 75 ? 2.553 -6.135 0.930 1.00 0.00 ? 75 ILE A CG2 3 ATOM 4198 C CD1 . ILE A 1 75 ? 1.552 -3.337 1.992 1.00 0.00 ? 75 ILE A CD1 3 ATOM 4199 H H . ILE A 1 75 ? 5.094 -4.104 3.344 1.00 0.00 ? 75 ILE A H 3 ATOM 4200 H HA . ILE A 1 75 ? 3.734 -6.587 3.420 1.00 0.00 ? 75 ILE A HA 3 ATOM 4201 H HB . ILE A 1 75 ? 3.852 -4.489 1.253 1.00 0.00 ? 75 ILE A HB 3 ATOM 4202 H HG12 . ILE A 1 75 ? 1.590 -5.100 3.151 1.00 0.00 ? 75 ILE A HG12 3 ATOM 4203 H HG13 . ILE A 1 75 ? 2.854 -3.939 3.543 1.00 0.00 ? 75 ILE A HG13 3 ATOM 4204 H HG21 . ILE A 1 75 ? 3.066 -6.185 -0.019 1.00 0.00 ? 75 ILE A HG21 3 ATOM 4205 H HG22 . ILE A 1 75 ? 2.521 -7.120 1.373 1.00 0.00 ? 75 ILE A HG22 3 ATOM 4206 H HG23 . ILE A 1 75 ? 1.547 -5.776 0.778 1.00 0.00 ? 75 ILE A HG23 3 ATOM 4207 H HD11 . ILE A 1 75 ? 2.087 -3.079 1.090 1.00 0.00 ? 75 ILE A HD11 3 ATOM 4208 H HD12 . ILE A 1 75 ? 0.569 -3.701 1.737 1.00 0.00 ? 75 ILE A HD12 3 ATOM 4209 H HD13 . ILE A 1 75 ? 1.461 -2.461 2.618 1.00 0.00 ? 75 ILE A HD13 3 ATOM 4210 N N . GLN A 1 76 ? 6.011 -6.245 1.045 1.00 0.00 ? 76 GLN A N 3 ATOM 4211 C CA . GLN A 1 76 ? 6.883 -6.987 0.143 1.00 0.00 ? 76 GLN A CA 3 ATOM 4212 C C . GLN A 1 76 ? 7.454 -8.222 0.831 1.00 0.00 ? 76 GLN A C 3 ATOM 4213 O O . GLN A 1 76 ? 7.298 -9.342 0.346 1.00 0.00 ? 76 GLN A O 3 ATOM 4214 C CB . GLN A 1 76 ? 8.021 -6.093 -0.352 1.00 0.00 ? 76 GLN A CB 3 ATOM 4215 C CG . GLN A 1 76 ? 7.657 -5.263 -1.572 1.00 0.00 ? 76 GLN A CG 3 ATOM 4216 C CD . GLN A 1 76 ? 8.875 -4.752 -2.316 1.00 0.00 ? 76 GLN A CD 3 ATOM 4217 O OE1 . GLN A 1 76 ? 9.536 -5.501 -3.036 1.00 0.00 ? 76 GLN A OE1 3 ATOM 4218 N NE2 . GLN A 1 76 ? 9.179 -3.471 -2.145 1.00 0.00 ? 76 GLN A NE2 3 ATOM 4219 H H . GLN A 1 76 ? 6.064 -5.267 1.064 1.00 0.00 ? 76 GLN A H 3 ATOM 4220 H HA . GLN A 1 76 ? 6.292 -7.303 -0.704 1.00 0.00 ? 76 GLN A HA 3 ATOM 4221 H HB2 . GLN A 1 76 ? 8.305 -5.419 0.443 1.00 0.00 ? 76 GLN A HB2 3 ATOM 4222 H HB3 . GLN A 1 76 ? 8.867 -6.714 -0.606 1.00 0.00 ? 76 GLN A HB3 3 ATOM 4223 H HG2 . GLN A 1 76 ? 7.073 -5.873 -2.246 1.00 0.00 ? 76 GLN A HG2 3 ATOM 4224 H HG3 . GLN A 1 76 ? 7.067 -4.416 -1.253 1.00 0.00 ? 76 GLN A HG3 3 ATOM 4225 H HE21 . GLN A 1 76 ? 8.608 -2.935 -1.555 1.00 0.00 ? 76 GLN A HE21 3 ATOM 4226 H HE22 . GLN A 1 76 ? 9.962 -3.115 -2.612 1.00 0.00 ? 76 GLN A HE22 3 ATOM 4227 N N . GLU A 1 77 ? 8.115 -8.009 1.965 1.00 0.00 ? 77 GLU A N 3 ATOM 4228 C CA . GLU A 1 77 ? 8.710 -9.107 2.719 1.00 0.00 ? 77 GLU A CA 3 ATOM 4229 C C . GLU A 1 77 ? 7.654 -10.140 3.101 1.00 0.00 ? 77 GLU A C 3 ATOM 4230 O O . GLU A 1 77 ? 7.854 -11.342 2.925 1.00 0.00 ? 77 GLU A O 3 ATOM 4231 C CB . GLU A 1 77 ? 9.398 -8.575 3.978 1.00 0.00 ? 77 GLU A CB 3 ATOM 4232 C CG . GLU A 1 77 ? 8.524 -7.645 4.803 1.00 0.00 ? 77 GLU A CG 3 ATOM 4233 C CD . GLU A 1 77 ? 9.238 -7.109 6.028 1.00 0.00 ? 77 GLU A CD 3 ATOM 4234 O OE1 . GLU A 1 77 ? 10.158 -6.281 5.865 1.00 0.00 ? 77 GLU A OE1 3 ATOM 4235 O OE2 . GLU A 1 77 ? 8.875 -7.517 7.151 1.00 0.00 ? 77 GLU A OE2 3 ATOM 4236 H H . GLU A 1 77 ? 8.206 -7.094 2.301 1.00 0.00 ? 77 GLU A H 3 ATOM 4237 H HA . GLU A 1 77 ? 9.448 -9.580 2.089 1.00 0.00 ? 77 GLU A HA 3 ATOM 4238 H HB2 . GLU A 1 77 ? 9.684 -9.412 4.598 1.00 0.00 ? 77 GLU A HB2 3 ATOM 4239 H HB3 . GLU A 1 77 ? 10.287 -8.036 3.687 1.00 0.00 ? 77 GLU A HB3 3 ATOM 4240 H HG2 . GLU A 1 77 ? 8.226 -6.811 4.185 1.00 0.00 ? 77 GLU A HG2 3 ATOM 4241 H HG3 . GLU A 1 77 ? 7.647 -8.187 5.123 1.00 0.00 ? 77 GLU A HG3 3 ATOM 4242 N N . ARG A 1 78 ? 6.530 -9.662 3.624 1.00 0.00 ? 78 ARG A N 3 ATOM 4243 C CA . ARG A 1 78 ? 5.443 -10.544 4.033 1.00 0.00 ? 78 ARG A CA 3 ATOM 4244 C C . ARG A 1 78 ? 4.947 -11.378 2.855 1.00 0.00 ? 78 ARG A C 3 ATOM 4245 O O . ARG A 1 78 ? 4.524 -12.521 3.026 1.00 0.00 ? 78 ARG A O 3 ATOM 4246 C CB . ARG A 1 78 ? 4.287 -9.728 4.616 1.00 0.00 ? 78 ARG A CB 3 ATOM 4247 C CG . ARG A 1 78 ? 4.638 -9.017 5.913 1.00 0.00 ? 78 ARG A CG 3 ATOM 4248 C CD . ARG A 1 78 ? 4.460 -9.931 7.115 1.00 0.00 ? 78 ARG A CD 3 ATOM 4249 N NE . ARG A 1 78 ? 3.102 -10.459 7.205 1.00 0.00 ? 78 ARG A NE 3 ATOM 4250 C CZ . ARG A 1 78 ? 2.744 -11.427 8.041 1.00 0.00 ? 78 ARG A CZ 3 ATOM 4251 N NH1 . ARG A 1 78 ? 3.639 -11.970 8.854 1.00 0.00 ? 78 ARG A NH1 3 ATOM 4252 N NH2 . ARG A 1 78 ? 1.487 -11.854 8.065 1.00 0.00 ? 78 ARG A NH2 3 ATOM 4253 H H . ARG A 1 78 ? 6.429 -8.694 3.740 1.00 0.00 ? 78 ARG A H 3 ATOM 4254 H HA . ARG A 1 78 ? 5.822 -11.208 4.795 1.00 0.00 ? 78 ARG A HA 3 ATOM 4255 H HB2 . ARG A 1 78 ? 3.987 -8.983 3.893 1.00 0.00 ? 78 ARG A HB2 3 ATOM 4256 H HB3 . ARG A 1 78 ? 3.456 -10.389 4.806 1.00 0.00 ? 78 ARG A HB3 3 ATOM 4257 H HG2 . ARG A 1 78 ? 5.667 -8.694 5.869 1.00 0.00 ? 78 ARG A HG2 3 ATOM 4258 H HG3 . ARG A 1 78 ? 3.993 -8.158 6.026 1.00 0.00 ? 78 ARG A HG3 3 ATOM 4259 H HD2 . ARG A 1 78 ? 5.152 -10.756 7.028 1.00 0.00 ? 78 ARG A HD2 3 ATOM 4260 H HD3 . ARG A 1 78 ? 4.680 -9.371 8.011 1.00 0.00 ? 78 ARG A HD3 3 ATOM 4261 H HE . ARG A 1 78 ? 2.424 -10.072 6.613 1.00 0.00 ? 78 ARG A HE 3 ATOM 4262 H HH11 . ARG A 1 78 ? 4.586 -11.650 8.839 1.00 0.00 ? 78 ARG A HH11 3 ATOM 4263 H HH12 . ARG A 1 78 ? 3.366 -12.698 9.484 1.00 0.00 ? 78 ARG A HH12 3 ATOM 4264 H HH21 . ARG A 1 78 ? 0.810 -11.447 7.453 1.00 0.00 ? 78 ARG A HH21 3 ATOM 4265 H HH22 . ARG A 1 78 ? 1.219 -12.583 8.694 1.00 0.00 ? 78 ARG A HH22 3 ATOM 4266 N N . TRP A 1 79 ? 5.003 -10.798 1.662 1.00 0.00 ? 79 TRP A N 3 ATOM 4267 C CA . TRP A 1 79 ? 4.559 -11.487 0.456 1.00 0.00 ? 79 TRP A CA 3 ATOM 4268 C C . TRP A 1 79 ? 5.475 -12.662 0.132 1.00 0.00 ? 79 TRP A C 3 ATOM 4269 O O . TRP A 1 79 ? 5.022 -13.801 0.010 1.00 0.00 ? 79 TRP A O 3 ATOM 4270 C CB . TRP A 1 79 ? 4.517 -10.517 -0.726 1.00 0.00 ? 79 TRP A CB 3 ATOM 4271 C CG . TRP A 1 79 ? 3.903 -11.107 -1.959 1.00 0.00 ? 79 TRP A CG 3 ATOM 4272 C CD1 . TRP A 1 79 ? 3.074 -12.191 -2.023 1.00 0.00 ? 79 TRP A CD1 3 ATOM 4273 C CD2 . TRP A 1 79 ? 4.071 -10.648 -3.304 1.00 0.00 ? 79 TRP A CD2 3 ATOM 4274 N NE1 . TRP A 1 79 ? 2.716 -12.433 -3.327 1.00 0.00 ? 79 TRP A NE1 3 ATOM 4275 C CE2 . TRP A 1 79 ? 3.314 -11.500 -4.133 1.00 0.00 ? 79 TRP A CE2 3 ATOM 4276 C CE3 . TRP A 1 79 ? 4.785 -9.599 -3.890 1.00 0.00 ? 79 TRP A CE3 3 ATOM 4277 C CZ2 . TRP A 1 79 ? 3.255 -11.334 -5.514 1.00 0.00 ? 79 TRP A CZ2 3 ATOM 4278 C CZ3 . TRP A 1 79 ? 4.725 -9.436 -5.260 1.00 0.00 ? 79 TRP A CZ3 3 ATOM 4279 C CH2 . TRP A 1 79 ? 3.964 -10.299 -6.060 1.00 0.00 ? 79 TRP A CH2 3 ATOM 4280 H H . TRP A 1 79 ? 5.350 -9.884 1.589 1.00 0.00 ? 79 TRP A H 3 ATOM 4281 H HA . TRP A 1 79 ? 3.562 -11.863 0.637 1.00 0.00 ? 79 TRP A HA 3 ATOM 4282 H HB2 . TRP A 1 79 ? 3.939 -9.648 -0.449 1.00 0.00 ? 79 TRP A HB2 3 ATOM 4283 H HB3 . TRP A 1 79 ? 5.525 -10.212 -0.967 1.00 0.00 ? 79 TRP A HB3 3 ATOM 4284 H HD1 . TRP A 1 79 ? 2.756 -12.765 -1.166 1.00 0.00 ? 79 TRP A HD1 3 ATOM 4285 H HE1 . TRP A 1 79 ? 2.127 -13.155 -3.631 1.00 0.00 ? 79 TRP A HE1 3 ATOM 4286 H HE3 . TRP A 1 79 ? 5.378 -8.924 -3.290 1.00 0.00 ? 79 TRP A HE3 3 ATOM 4287 H HZ2 . TRP A 1 79 ? 2.672 -11.990 -6.144 1.00 0.00 ? 79 TRP A HZ2 3 ATOM 4288 H HZ3 . TRP A 1 79 ? 5.271 -8.632 -5.731 1.00 0.00 ? 79 TRP A HZ3 3 ATOM 4289 H HH2 . TRP A 1 79 ? 3.947 -10.134 -7.126 1.00 0.00 ? 79 TRP A HH2 3 ATOM 4290 N N . LYS A 1 80 ? 6.766 -12.380 -0.006 1.00 0.00 ? 80 LYS A N 3 ATOM 4291 C CA . LYS A 1 80 ? 7.747 -13.413 -0.314 1.00 0.00 ? 80 LYS A CA 3 ATOM 4292 C C . LYS A 1 80 ? 7.498 -14.666 0.519 1.00 0.00 ? 80 LYS A C 3 ATOM 4293 O O . LYS A 1 80 ? 7.527 -15.783 0.002 1.00 0.00 ? 80 LYS A O 3 ATOM 4294 C CB . LYS A 1 80 ? 9.164 -12.892 -0.061 1.00 0.00 ? 80 LYS A CB 3 ATOM 4295 C CG . LYS A 1 80 ? 9.443 -11.548 -0.711 1.00 0.00 ? 80 LYS A CG 3 ATOM 4296 C CD . LYS A 1 80 ? 10.915 -11.181 -0.624 1.00 0.00 ? 80 LYS A CD 3 ATOM 4297 C CE . LYS A 1 80 ? 11.112 -9.674 -0.579 1.00 0.00 ? 80 LYS A CE 3 ATOM 4298 N NZ . LYS A 1 80 ? 10.853 -9.041 -1.902 1.00 0.00 ? 80 LYS A NZ 3 ATOM 4299 H H . LYS A 1 80 ? 7.066 -11.452 0.103 1.00 0.00 ? 80 LYS A H 3 ATOM 4300 H HA . LYS A 1 80 ? 7.647 -13.665 -1.359 1.00 0.00 ? 80 LYS A HA 3 ATOM 4301 H HB2 . LYS A 1 80 ? 9.312 -12.791 1.004 1.00 0.00 ? 80 LYS A HB2 3 ATOM 4302 H HB3 . LYS A 1 80 ? 9.873 -13.610 -0.448 1.00 0.00 ? 80 LYS A HB3 3 ATOM 4303 H HG2 . LYS A 1 80 ? 9.155 -11.594 -1.751 1.00 0.00 ? 80 LYS A HG2 3 ATOM 4304 H HG3 . LYS A 1 80 ? 8.861 -10.788 -0.209 1.00 0.00 ? 80 LYS A HG3 3 ATOM 4305 H HD2 . LYS A 1 80 ? 11.333 -11.615 0.272 1.00 0.00 ? 80 LYS A HD2 3 ATOM 4306 H HD3 . LYS A 1 80 ? 11.427 -11.577 -1.490 1.00 0.00 ? 80 LYS A HD3 3 ATOM 4307 H HE2 . LYS A 1 80 ? 10.433 -9.257 0.149 1.00 0.00 ? 80 LYS A HE2 3 ATOM 4308 H HE3 . LYS A 1 80 ? 12.130 -9.466 -0.282 1.00 0.00 ? 80 LYS A HE3 3 ATOM 4309 H HZ1 . LYS A 1 80 ? 10.024 -8.415 -1.842 1.00 0.00 ? 80 LYS A HZ1 3 ATOM 4310 H HZ2 . LYS A 1 80 ? 10.671 -9.772 -2.618 1.00 0.00 ? 80 LYS A HZ2 3 ATOM 4311 H HZ3 . LYS A 1 80 ? 11.677 -8.479 -2.196 1.00 0.00 ? 80 LYS A HZ3 3 ATOM 4312 N N . ARG A 1 81 ? 7.253 -14.472 1.811 1.00 0.00 ? 81 ARG A N 3 ATOM 4313 C CA . ARG A 1 81 ? 6.999 -15.587 2.716 1.00 0.00 ? 81 ARG A CA 3 ATOM 4314 C C . ARG A 1 81 ? 5.712 -16.313 2.336 1.00 0.00 ? 81 ARG A C 3 ATOM 4315 O O . ARG A 1 81 ? 5.643 -17.541 2.381 1.00 0.00 ? 81 ARG A O 3 ATOM 4316 C CB . ARG A 1 81 ? 6.909 -15.089 4.160 1.00 0.00 ? 81 ARG A CB 3 ATOM 4317 C CG . ARG A 1 81 ? 8.247 -14.666 4.742 1.00 0.00 ? 81 ARG A CG 3 ATOM 4318 C CD . ARG A 1 81 ? 8.170 -14.498 6.252 1.00 0.00 ? 81 ARG A CD 3 ATOM 4319 N NE . ARG A 1 81 ? 9.372 -13.872 6.796 1.00 0.00 ? 81 ARG A NE 3 ATOM 4320 C CZ . ARG A 1 81 ? 9.575 -12.560 6.810 1.00 0.00 ? 81 ARG A CZ 3 ATOM 4321 N NH1 . ARG A 1 81 ? 8.660 -11.738 6.314 1.00 0.00 ? 81 ARG A NH1 3 ATOM 4322 N NH2 . ARG A 1 81 ? 10.695 -12.066 7.322 1.00 0.00 ? 81 ARG A NH2 3 ATOM 4323 H H . ARG A 1 81 ? 7.244 -13.558 2.165 1.00 0.00 ? 81 ARG A H 3 ATOM 4324 H HA . ARG A 1 81 ? 7.825 -16.277 2.633 1.00 0.00 ? 81 ARG A HA 3 ATOM 4325 H HB2 . ARG A 1 81 ? 6.241 -14.241 4.195 1.00 0.00 ? 81 ARG A HB2 3 ATOM 4326 H HB3 . ARG A 1 81 ? 6.506 -15.879 4.775 1.00 0.00 ? 81 ARG A HB3 3 ATOM 4327 H HG2 . ARG A 1 81 ? 8.984 -15.420 4.513 1.00 0.00 ? 81 ARG A HG2 3 ATOM 4328 H HG3 . ARG A 1 81 ? 8.541 -13.726 4.299 1.00 0.00 ? 81 ARG A HG3 3 ATOM 4329 H HD2 . ARG A 1 81 ? 7.316 -13.881 6.489 1.00 0.00 ? 81 ARG A HD2 3 ATOM 4330 H HD3 . ARG A 1 81 ? 8.046 -15.471 6.703 1.00 0.00 ? 81 ARG A HD3 3 ATOM 4331 H HE . ARG A 1 81 ? 10.061 -14.461 7.168 1.00 0.00 ? 81 ARG A HE 3 ATOM 4332 H HH11 . ARG A 1 81 ? 7.815 -12.108 5.928 1.00 0.00 ? 81 ARG A HH11 3 ATOM 4333 H HH12 . ARG A 1 81 ? 8.815 -10.750 6.327 1.00 0.00 ? 81 ARG A HH12 3 ATOM 4334 H HH21 . ARG A 1 81 ? 11.387 -12.682 7.698 1.00 0.00 ? 81 ARG A HH21 3 ATOM 4335 H HH22 . ARG A 1 81 ? 10.847 -11.078 7.333 1.00 0.00 ? 81 ARG A HH22 3 ATOM 4336 N N . ALA A 1 82 ? 4.694 -15.545 1.962 1.00 0.00 ? 82 ALA A N 3 ATOM 4337 C CA . ALA A 1 82 ? 3.410 -16.115 1.572 1.00 0.00 ? 82 ALA A CA 3 ATOM 4338 C C . ALA A 1 82 ? 3.547 -16.971 0.318 1.00 0.00 ? 82 ALA A C 3 ATOM 4339 O O . ALA A 1 82 ? 2.777 -17.909 0.106 1.00 0.00 ? 82 ALA A O 3 ATOM 4340 C CB . ALA A 1 82 ? 2.387 -15.010 1.351 1.00 0.00 ? 82 ALA A CB 3 ATOM 4341 H H . ALA A 1 82 ? 4.809 -14.572 1.946 1.00 0.00 ? 82 ALA A H 3 ATOM 4342 H HA . ALA A 1 82 ? 3.061 -16.737 2.384 1.00 0.00 ? 82 ALA A HA 3 ATOM 4343 H HB1 . ALA A 1 82 ? 1.775 -14.905 2.234 1.00 0.00 ? 82 ALA A HB1 3 ATOM 4344 H HB2 . ALA A 1 82 ? 2.900 -14.080 1.155 1.00 0.00 ? 82 ALA A HB2 3 ATOM 4345 H HB3 . ALA A 1 82 ? 1.763 -15.262 0.507 1.00 0.00 ? 82 ALA A HB3 3 ATOM 4346 N N . LYS A 1 83 ? 4.531 -16.642 -0.512 1.00 0.00 ? 83 LYS A N 3 ATOM 4347 C CA . LYS A 1 83 ? 4.770 -17.381 -1.747 1.00 0.00 ? 83 LYS A CA 3 ATOM 4348 C C . LYS A 1 83 ? 5.078 -18.846 -1.453 1.00 0.00 ? 83 LYS A C 3 ATOM 4349 O O . LYS A 1 83 ? 4.669 -19.737 -2.198 1.00 0.00 ? 83 LYS A O 3 ATOM 4350 C CB . LYS A 1 83 ? 5.927 -16.752 -2.526 1.00 0.00 ? 83 LYS A CB 3 ATOM 4351 C CG . LYS A 1 83 ? 5.742 -15.269 -2.797 1.00 0.00 ? 83 LYS A CG 3 ATOM 4352 C CD . LYS A 1 83 ? 4.925 -15.030 -4.056 1.00 0.00 ? 83 LYS A CD 3 ATOM 4353 C CE . LYS A 1 83 ? 5.783 -15.145 -5.307 1.00 0.00 ? 83 LYS A CE 3 ATOM 4354 N NZ . LYS A 1 83 ? 5.862 -16.548 -5.798 1.00 0.00 ? 83 LYS A NZ 3 ATOM 4355 H H . LYS A 1 83 ? 5.111 -15.884 -0.289 1.00 0.00 ? 83 LYS A H 3 ATOM 4356 H HA . LYS A 1 83 ? 3.873 -17.327 -2.345 1.00 0.00 ? 83 LYS A HA 3 ATOM 4357 H HB2 . LYS A 1 83 ? 6.838 -16.882 -1.961 1.00 0.00 ? 83 LYS A HB2 3 ATOM 4358 H HB3 . LYS A 1 83 ? 6.025 -17.260 -3.474 1.00 0.00 ? 83 LYS A HB3 3 ATOM 4359 H HG2 . LYS A 1 83 ? 5.231 -14.819 -1.959 1.00 0.00 ? 83 LYS A HG2 3 ATOM 4360 H HG3 . LYS A 1 83 ? 6.714 -14.810 -2.917 1.00 0.00 ? 83 LYS A HG3 3 ATOM 4361 H HD2 . LYS A 1 83 ? 4.135 -15.764 -4.107 1.00 0.00 ? 83 LYS A HD2 3 ATOM 4362 H HD3 . LYS A 1 83 ? 4.496 -14.038 -4.013 1.00 0.00 ? 83 LYS A HD3 3 ATOM 4363 H HE2 . LYS A 1 83 ? 5.353 -14.526 -6.080 1.00 0.00 ? 83 LYS A HE2 3 ATOM 4364 H HE3 . LYS A 1 83 ? 6.779 -14.795 -5.078 1.00 0.00 ? 83 LYS A HE3 3 ATOM 4365 H HZ1 . LYS A 1 83 ? 5.154 -17.136 -5.314 1.00 0.00 ? 83 LYS A HZ1 3 ATOM 4366 H HZ2 . LYS A 1 83 ? 6.807 -16.939 -5.611 1.00 0.00 ? 83 LYS A HZ2 3 ATOM 4367 H HZ3 . LYS A 1 83 ? 5.682 -16.580 -6.822 1.00 0.00 ? 83 LYS A HZ3 3 ATOM 4368 N N . ARG A 1 84 ? 5.799 -19.087 -0.363 1.00 0.00 ? 84 ARG A N 3 ATOM 4369 C CA . ARG A 1 84 ? 6.161 -20.444 0.028 1.00 0.00 ? 84 ARG A CA 3 ATOM 4370 C C . ARG A 1 84 ? 5.060 -21.079 0.872 1.00 0.00 ? 84 ARG A C 3 ATOM 4371 O O . ARG A 1 84 ? 4.513 -22.121 0.513 1.00 0.00 ? 84 ARG A O 3 ATOM 4372 C CB . ARG A 1 84 ? 7.477 -20.439 0.809 1.00 0.00 ? 84 ARG A CB 3 ATOM 4373 C CG . ARG A 1 84 ? 7.616 -21.603 1.776 1.00 0.00 ? 84 ARG A CG 3 ATOM 4374 C CD . ARG A 1 84 ? 7.744 -22.927 1.040 1.00 0.00 ? 84 ARG A CD 3 ATOM 4375 N NE . ARG A 1 84 ? 9.017 -23.040 0.334 1.00 0.00 ? 84 ARG A NE 3 ATOM 4376 C CZ . ARG A 1 84 ? 9.397 -24.128 -0.328 1.00 0.00 ? 84 ARG A CZ 3 ATOM 4377 N NH1 . ARG A 1 84 ? 8.604 -25.190 -0.373 1.00 0.00 ? 84 ARG A NH1 3 ATOM 4378 N NH2 . ARG A 1 84 ? 10.571 -24.155 -0.945 1.00 0.00 ? 84 ARG A NH2 3 ATOM 4379 H H . ARG A 1 84 ? 6.096 -18.335 0.191 1.00 0.00 ? 84 ARG A H 3 ATOM 4380 H HA . ARG A 1 84 ? 6.289 -21.026 -0.872 1.00 0.00 ? 84 ARG A HA 3 ATOM 4381 H HB2 . ARG A 1 84 ? 8.298 -20.481 0.108 1.00 0.00 ? 84 ARG A HB2 3 ATOM 4382 H HB3 . ARG A 1 84 ? 7.543 -19.520 1.372 1.00 0.00 ? 84 ARG A HB3 3 ATOM 4383 H HG2 . ARG A 1 84 ? 8.499 -21.453 2.380 1.00 0.00 ? 84 ARG A HG2 3 ATOM 4384 H HG3 . ARG A 1 84 ? 6.744 -21.636 2.412 1.00 0.00 ? 84 ARG A HG3 3 ATOM 4385 H HD2 . ARG A 1 84 ? 7.668 -23.731 1.756 1.00 0.00 ? 84 ARG A HD2 3 ATOM 4386 H HD3 . ARG A 1 84 ? 6.938 -23.005 0.325 1.00 0.00 ? 84 ARG A HD3 3 ATOM 4387 H HE . ARG A 1 84 ? 9.618 -22.267 0.354 1.00 0.00 ? 84 ARG A HE 3 ATOM 4388 H HH11 . ARG A 1 84 ? 7.719 -25.173 0.091 1.00 0.00 ? 84 ARG A HH11 3 ATOM 4389 H HH12 . ARG A 1 84 ? 8.892 -26.008 -0.873 1.00 0.00 ? 84 ARG A HH12 3 ATOM 4390 H HH21 . ARG A 1 84 ? 11.170 -23.356 -0.913 1.00 0.00 ? 84 ARG A HH21 3 ATOM 4391 H HH22 . ARG A 1 84 ? 10.855 -24.974 -1.442 1.00 0.00 ? 84 ARG A HH22 3 ATOM 4392 N N . GLU A 1 85 ? 4.740 -20.442 1.995 1.00 0.00 ? 85 GLU A N 3 ATOM 4393 C CA . GLU A 1 85 ? 3.705 -20.946 2.890 1.00 0.00 ? 85 GLU A CA 3 ATOM 4394 C C . GLU A 1 85 ? 2.476 -21.394 2.103 1.00 0.00 ? 85 GLU A C 3 ATOM 4395 O O . GLU A 1 85 ? 1.877 -22.425 2.403 1.00 0.00 ? 85 GLU A O 3 ATOM 4396 C CB . GLU A 1 85 ? 3.311 -19.872 3.905 1.00 0.00 ? 85 GLU A CB 3 ATOM 4397 C CG . GLU A 1 85 ? 4.458 -19.426 4.797 1.00 0.00 ? 85 GLU A CG 3 ATOM 4398 C CD . GLU A 1 85 ? 4.579 -20.265 6.054 1.00 0.00 ? 85 GLU A CD 3 ATOM 4399 O OE1 . GLU A 1 85 ? 3.532 -20.698 6.581 1.00 0.00 ? 85 GLU A OE1 3 ATOM 4400 O OE2 . GLU A 1 85 ? 5.719 -20.487 6.512 1.00 0.00 ? 85 GLU A OE2 3 ATOM 4401 H H . GLU A 1 85 ? 5.212 -19.616 2.227 1.00 0.00 ? 85 GLU A H 3 ATOM 4402 H HA . GLU A 1 85 ? 4.109 -21.797 3.418 1.00 0.00 ? 85 GLU A HA 3 ATOM 4403 H HB2 . GLU A 1 85 ? 2.939 -19.009 3.373 1.00 0.00 ? 85 GLU A HB2 3 ATOM 4404 H HB3 . GLU A 1 85 ? 2.524 -20.261 4.535 1.00 0.00 ? 85 GLU A HB3 3 ATOM 4405 H HG2 . GLU A 1 85 ? 5.380 -19.504 4.241 1.00 0.00 ? 85 GLU A HG2 3 ATOM 4406 H HG3 . GLU A 1 85 ? 4.296 -18.397 5.082 1.00 0.00 ? 85 GLU A HG3 3 ATOM 4407 N N . GLU A 1 86 ? 2.108 -20.609 1.095 1.00 0.00 ? 86 GLU A N 3 ATOM 4408 C CA . GLU A 1 86 ? 0.950 -20.924 0.266 1.00 0.00 ? 86 GLU A CA 3 ATOM 4409 C C . GLU A 1 86 ? 1.164 -22.230 -0.493 1.00 0.00 ? 86 GLU A C 3 ATOM 4410 O O . GLU A 1 86 ? 0.230 -23.008 -0.686 1.00 0.00 ? 86 GLU A O 3 ATOM 4411 C CB . GLU A 1 86 ? 0.677 -19.786 -0.720 1.00 0.00 ? 86 GLU A CB 3 ATOM 4412 C CG . GLU A 1 86 ? -0.232 -20.184 -1.871 1.00 0.00 ? 86 GLU A CG 3 ATOM 4413 C CD . GLU A 1 86 ? -1.008 -19.009 -2.434 1.00 0.00 ? 86 GLU A CD 3 ATOM 4414 O OE1 . GLU A 1 86 ? -1.874 -18.469 -1.715 1.00 0.00 ? 86 GLU A OE1 3 ATOM 4415 O OE2 . GLU A 1 86 ? -0.748 -18.630 -3.595 1.00 0.00 ? 86 GLU A OE2 3 ATOM 4416 H H . GLU A 1 86 ? 2.627 -19.799 0.905 1.00 0.00 ? 86 GLU A H 3 ATOM 4417 H HA . GLU A 1 86 ? 0.097 -21.036 0.918 1.00 0.00 ? 86 GLU A HA 3 ATOM 4418 H HB2 . GLU A 1 86 ? 0.214 -18.968 -0.188 1.00 0.00 ? 86 GLU A HB2 3 ATOM 4419 H HB3 . GLU A 1 86 ? 1.617 -19.450 -1.131 1.00 0.00 ? 86 GLU A HB3 3 ATOM 4420 H HG2 . GLU A 1 86 ? 0.371 -20.608 -2.659 1.00 0.00 ? 86 GLU A HG2 3 ATOM 4421 H HG3 . GLU A 1 86 ? -0.935 -20.924 -1.518 1.00 0.00 ? 86 GLU A HG3 3 ATOM 4422 N N . ARG A 1 87 ? 2.400 -22.463 -0.922 1.00 0.00 ? 87 ARG A N 3 ATOM 4423 C CA . ARG A 1 87 ? 2.737 -23.673 -1.662 1.00 0.00 ? 87 ARG A CA 3 ATOM 4424 C C . ARG A 1 87 ? 2.647 -24.902 -0.763 1.00 0.00 ? 87 ARG A C 3 ATOM 4425 O O . ARG A 1 87 ? 2.731 -26.037 -1.234 1.00 0.00 ? 87 ARG A O 3 ATOM 4426 C CB . ARG A 1 87 ? 4.144 -23.561 -2.252 1.00 0.00 ? 87 ARG A CB 3 ATOM 4427 C CG . ARG A 1 87 ? 4.212 -22.705 -3.506 1.00 0.00 ? 87 ARG A CG 3 ATOM 4428 C CD . ARG A 1 87 ? 3.951 -23.530 -4.757 1.00 0.00 ? 87 ARG A CD 3 ATOM 4429 N NE . ARG A 1 87 ? 4.865 -24.664 -4.865 1.00 0.00 ? 87 ARG A NE 3 ATOM 4430 C CZ . ARG A 1 87 ? 4.767 -25.600 -5.802 1.00 0.00 ? 87 ARG A CZ 3 ATOM 4431 N NH1 . ARG A 1 87 ? 3.800 -25.538 -6.708 1.00 0.00 ? 87 ARG A NH1 3 ATOM 4432 N NH2 . ARG A 1 87 ? 5.637 -26.602 -5.835 1.00 0.00 ? 87 ARG A NH2 3 ATOM 4433 H H . ARG A 1 87 ? 3.102 -21.805 -0.737 1.00 0.00 ? 87 ARG A H 3 ATOM 4434 H HA . ARG A 1 87 ? 2.026 -23.778 -2.467 1.00 0.00 ? 87 ARG A HA 3 ATOM 4435 H HB2 . ARG A 1 87 ? 4.799 -23.126 -1.511 1.00 0.00 ? 87 ARG A HB2 3 ATOM 4436 H HB3 . ARG A 1 87 ? 4.498 -24.550 -2.498 1.00 0.00 ? 87 ARG A HB3 3 ATOM 4437 H HG2 . ARG A 1 87 ? 3.466 -21.926 -3.441 1.00 0.00 ? 87 ARG A HG2 3 ATOM 4438 H HG3 . ARG A 1 87 ? 5.194 -22.262 -3.576 1.00 0.00 ? 87 ARG A HG3 3 ATOM 4439 H HD2 . ARG A 1 87 ? 2.937 -23.899 -4.725 1.00 0.00 ? 87 ARG A HD2 3 ATOM 4440 H HD3 . ARG A 1 87 ? 4.076 -22.895 -5.622 1.00 0.00 ? 87 ARG A HD3 3 ATOM 4441 H HE . ARG A 1 87 ? 5.587 -24.730 -4.207 1.00 0.00 ? 87 ARG A HE 3 ATOM 4442 H HH11 . ARG A 1 87 ? 3.144 -24.784 -6.686 1.00 0.00 ? 87 ARG A HH11 3 ATOM 4443 H HH12 . ARG A 1 87 ? 3.729 -26.244 -7.413 1.00 0.00 ? 87 ARG A HH12 3 ATOM 4444 H HH21 . ARG A 1 87 ? 6.367 -26.652 -5.155 1.00 0.00 ? 87 ARG A HH21 3 ATOM 4445 H HH22 . ARG A 1 87 ? 5.562 -27.306 -6.540 1.00 0.00 ? 87 ARG A HH22 3 ATOM 4446 N N . LEU A 1 88 ? 2.477 -24.669 0.534 1.00 0.00 ? 88 LEU A N 3 ATOM 4447 C CA . LEU A 1 88 ? 2.376 -25.758 1.500 1.00 0.00 ? 88 LEU A CA 3 ATOM 4448 C C . LEU A 1 88 ? 0.918 -26.076 1.812 1.00 0.00 ? 88 LEU A C 3 ATOM 4449 O O . LEU A 1 88 ? 0.491 -27.228 1.733 1.00 0.00 ? 88 LEU A O 3 ATOM 4450 C CB . LEU A 1 88 ? 3.118 -25.393 2.787 1.00 0.00 ? 88 LEU A CB 3 ATOM 4451 C CG . LEU A 1 88 ? 4.600 -25.765 2.836 1.00 0.00 ? 88 LEU A CG 3 ATOM 4452 C CD1 . LEU A 1 88 ? 5.371 -25.027 1.752 1.00 0.00 ? 88 LEU A CD1 3 ATOM 4453 C CD2 . LEU A 1 88 ? 5.182 -25.459 4.209 1.00 0.00 ? 88 LEU A CD2 3 ATOM 4454 H H . LEU A 1 88 ? 2.418 -23.744 0.850 1.00 0.00 ? 88 LEU A H 3 ATOM 4455 H HA . LEU A 1 88 ? 2.837 -26.632 1.064 1.00 0.00 ? 88 LEU A HA 3 ATOM 4456 H HB2 . LEU A 1 88 ? 3.040 -24.326 2.923 1.00 0.00 ? 88 LEU A HB2 3 ATOM 4457 H HB3 . LEU A 1 88 ? 2.623 -25.895 3.607 1.00 0.00 ? 88 LEU A HB3 3 ATOM 4458 H HG . LEU A 1 88 ? 4.706 -26.826 2.657 1.00 0.00 ? 88 LEU A HG 3 ATOM 4459 H HD11 . LEU A 1 88 ? 4.831 -25.091 0.820 1.00 0.00 ? 88 LEU A HD11 3 ATOM 4460 H HD12 . LEU A 1 88 ? 6.346 -25.477 1.635 1.00 0.00 ? 88 LEU A HD12 3 ATOM 4461 H HD13 . LEU A 1 88 ? 5.485 -23.991 2.034 1.00 0.00 ? 88 LEU A HD13 3 ATOM 4462 H HD21 . LEU A 1 88 ? 4.665 -24.613 4.638 1.00 0.00 ? 88 LEU A HD21 3 ATOM 4463 H HD22 . LEU A 1 88 ? 6.233 -25.226 4.111 1.00 0.00 ? 88 LEU A HD22 3 ATOM 4464 H HD23 . LEU A 1 88 ? 5.061 -26.318 4.851 1.00 0.00 ? 88 LEU A HD23 3 ATOM 4465 N N . LYS A 1 89 ? 0.156 -25.046 2.166 1.00 0.00 ? 89 LYS A N 3 ATOM 4466 C CA . LYS A 1 89 ? -1.256 -25.213 2.487 1.00 0.00 ? 89 LYS A CA 3 ATOM 4467 C C . LYS A 1 89 ? -2.063 -25.545 1.236 1.00 0.00 ? 89 LYS A C 3 ATOM 4468 O O . LYS A 1 89 ? -3.258 -25.827 1.314 1.00 0.00 ? 89 LYS A O 3 ATOM 4469 C CB . LYS A 1 89 ? -1.806 -23.943 3.140 1.00 0.00 ? 89 LYS A CB 3 ATOM 4470 C CG . LYS A 1 89 ? -1.930 -22.771 2.181 1.00 0.00 ? 89 LYS A CG 3 ATOM 4471 C CD . LYS A 1 89 ? -2.730 -21.633 2.791 1.00 0.00 ? 89 LYS A CD 3 ATOM 4472 C CE . LYS A 1 89 ? -3.478 -20.844 1.727 1.00 0.00 ? 89 LYS A CE 3 ATOM 4473 N NZ . LYS A 1 89 ? -4.371 -21.717 0.915 1.00 0.00 ? 89 LYS A NZ 3 ATOM 4474 H H . LYS A 1 89 ? 0.554 -24.151 2.212 1.00 0.00 ? 89 LYS A H 3 ATOM 4475 H HA . LYS A 1 89 ? -1.343 -26.032 3.185 1.00 0.00 ? 89 LYS A HA 3 ATOM 4476 H HB2 . LYS A 1 89 ? -2.785 -24.155 3.544 1.00 0.00 ? 89 LYS A HB2 3 ATOM 4477 H HB3 . LYS A 1 89 ? -1.148 -23.653 3.946 1.00 0.00 ? 89 LYS A HB3 3 ATOM 4478 H HG2 . LYS A 1 89 ? -0.941 -22.411 1.937 1.00 0.00 ? 89 LYS A HG2 3 ATOM 4479 H HG3 . LYS A 1 89 ? -2.426 -23.106 1.280 1.00 0.00 ? 89 LYS A HG3 3 ATOM 4480 H HD2 . LYS A 1 89 ? -3.446 -22.041 3.490 1.00 0.00 ? 89 LYS A HD2 3 ATOM 4481 H HD3 . LYS A 1 89 ? -2.055 -20.968 3.311 1.00 0.00 ? 89 LYS A HD3 3 ATOM 4482 H HE2 . LYS A 1 89 ? -4.074 -20.087 2.212 1.00 0.00 ? 89 LYS A HE2 3 ATOM 4483 H HE3 . LYS A 1 89 ? -2.758 -20.373 1.074 1.00 0.00 ? 89 LYS A HE3 3 ATOM 4484 H HZ1 . LYS A 1 89 ? -3.812 -22.249 0.218 1.00 0.00 ? 89 LYS A HZ1 3 ATOM 4485 H HZ2 . LYS A 1 89 ? -5.073 -21.139 0.411 1.00 0.00 ? 89 LYS A HZ2 3 ATOM 4486 H HZ3 . LYS A 1 89 ? -4.869 -22.391 1.531 1.00 0.00 ? 89 LYS A HZ3 3 ATOM 4487 N N . ALA A 1 90 ? -1.401 -25.510 0.084 1.00 0.00 ? 90 ALA A N 3 ATOM 4488 C CA . ALA A 1 90 ? -2.057 -25.810 -1.183 1.00 0.00 ? 90 ALA A CA 3 ATOM 4489 C C . ALA A 1 90 ? -2.453 -27.281 -1.261 1.00 0.00 ? 90 ALA A C 3 ATOM 4490 O O . ALA A 1 90 ? -1.645 -28.168 -0.984 1.00 0.00 ? 90 ALA A O 3 ATOM 4491 C CB . ALA A 1 90 ? -1.148 -25.444 -2.347 1.00 0.00 ? 90 ALA A CB 3 ATOM 4492 H H . ALA A 1 90 ? -0.450 -25.278 0.087 1.00 0.00 ? 90 ALA A H 3 ATOM 4493 H HA . ALA A 1 90 ? -2.948 -25.203 -1.249 1.00 0.00 ? 90 ALA A HA 3 ATOM 4494 H HB1 . ALA A 1 90 ? -1.409 -24.461 -2.711 1.00 0.00 ? 90 ALA A HB1 3 ATOM 4495 H HB2 . ALA A 1 90 ? -0.120 -25.444 -2.015 1.00 0.00 ? 90 ALA A HB2 3 ATOM 4496 H HB3 . ALA A 1 90 ? -1.270 -26.167 -3.140 1.00 0.00 ? 90 ALA A HB3 3 ATOM 4497 N N . HIS A 1 91 ? -3.702 -27.533 -1.639 1.00 0.00 ? 91 HIS A N 3 ATOM 4498 C CA . HIS A 1 91 ? -4.206 -28.897 -1.753 1.00 0.00 ? 91 HIS A CA 3 ATOM 4499 C C . HIS A 1 91 ? -3.402 -29.689 -2.780 1.00 0.00 ? 91 HIS A C 3 ATOM 4500 O O . HIS A 1 91 ? -3.795 -29.794 -3.942 1.00 0.00 ? 91 HIS A O 3 ATOM 4501 C CB . HIS A 1 91 ? -5.684 -28.887 -2.142 1.00 0.00 ? 91 HIS A CB 3 ATOM 4502 C CG . HIS A 1 91 ? -6.313 -30.246 -2.142 1.00 0.00 ? 91 HIS A CG 3 ATOM 4503 N ND1 . HIS A 1 91 ? -7.476 -30.537 -1.461 1.00 0.00 ? 91 HIS A ND1 3 ATOM 4504 C CD2 . HIS A 1 91 ? -5.935 -31.396 -2.748 1.00 0.00 ? 91 HIS A CD2 3 ATOM 4505 C CE1 . HIS A 1 91 ? -7.786 -31.808 -1.646 1.00 0.00 ? 91 HIS A CE1 3 ATOM 4506 N NE2 . HIS A 1 91 ? -6.866 -32.352 -2.424 1.00 0.00 ? 91 HIS A NE2 3 ATOM 4507 H H . HIS A 1 91 ? -4.299 -26.784 -1.846 1.00 0.00 ? 91 HIS A H 3 ATOM 4508 H HA . HIS A 1 91 ? -4.100 -29.371 -0.789 1.00 0.00 ? 91 HIS A HA 3 ATOM 4509 H HB2 . HIS A 1 91 ? -6.229 -28.270 -1.443 1.00 0.00 ? 91 HIS A HB2 3 ATOM 4510 H HB3 . HIS A 1 91 ? -5.786 -28.473 -3.135 1.00 0.00 ? 91 HIS A HB3 3 ATOM 4511 H HD1 . HIS A 1 91 ? -7.996 -29.907 -0.922 1.00 0.00 ? 91 HIS A HD1 3 ATOM 4512 H HD2 . HIS A 1 91 ? -5.062 -31.537 -3.370 1.00 0.00 ? 91 HIS A HD2 3 ATOM 4513 H HE1 . HIS A 1 91 ? -8.644 -32.317 -1.233 1.00 0.00 ? 91 HIS A HE1 3 ATOM 4514 H HE2 . HIS A 1 91 ? -6.808 -33.304 -2.648 1.00 0.00 ? 91 HIS A HE2 3 ATOM 4515 N N . SER A 1 92 ? -2.275 -30.242 -2.345 1.00 0.00 ? 92 SER A N 3 ATOM 4516 C CA . SER A 1 92 ? -1.414 -31.020 -3.228 1.00 0.00 ? 92 SER A CA 3 ATOM 4517 C C . SER A 1 92 ? -0.384 -31.809 -2.426 1.00 0.00 ? 92 SER A C 3 ATOM 4518 O O . SER A 1 92 ? 0.076 -31.363 -1.376 1.00 0.00 ? 92 SER A O 3 ATOM 4519 C CB . SER A 1 92 ? -0.706 -30.100 -4.224 1.00 0.00 ? 92 SER A CB 3 ATOM 4520 O OG . SER A 1 92 ? 0.349 -30.779 -4.884 1.00 0.00 ? 92 SER A OG 3 ATOM 4521 H H . SER A 1 92 ? -2.016 -30.122 -1.407 1.00 0.00 ? 92 SER A H 3 ATOM 4522 H HA . SER A 1 92 ? -2.038 -31.714 -3.772 1.00 0.00 ? 92 SER A HA 3 ATOM 4523 H HB2 . SER A 1 92 ? -1.416 -29.759 -4.963 1.00 0.00 ? 92 SER A HB2 3 ATOM 4524 H HB3 . SER A 1 92 ? -0.297 -29.250 -3.697 1.00 0.00 ? 92 SER A HB3 3 ATOM 4525 H HG . SER A 1 92 ? 0.062 -31.039 -5.762 1.00 0.00 ? 92 SER A HG 3 ATOM 4526 N N . GLY A 1 93 ? -0.027 -32.987 -2.929 1.00 0.00 ? 93 GLY A N 3 ATOM 4527 C CA . GLY A 1 93 ? 0.946 -33.820 -2.248 1.00 0.00 ? 93 GLY A CA 3 ATOM 4528 C C . GLY A 1 93 ? 2.286 -33.846 -2.956 1.00 0.00 ? 93 GLY A C 3 ATOM 4529 O O . GLY A 1 93 ? 2.524 -33.099 -3.906 1.00 0.00 ? 93 GLY A O 3 ATOM 4530 H H . GLY A 1 93 ? -0.427 -33.292 -3.770 1.00 0.00 ? 93 GLY A H 3 ATOM 4531 H HA2 . GLY A 1 93 ? 1.088 -33.444 -1.246 1.00 0.00 ? 93 GLY A HA2 3 ATOM 4532 H HA3 . GLY A 1 93 ? 0.563 -34.829 -2.192 1.00 0.00 ? 93 GLY A HA3 3 ATOM 4533 N N . PRO A 1 94 ? 3.190 -34.721 -2.491 1.00 0.00 ? 94 PRO A N 3 ATOM 4534 C CA . PRO A 1 94 ? 4.528 -34.860 -3.071 1.00 0.00 ? 94 PRO A CA 3 ATOM 4535 C C . PRO A 1 94 ? 4.495 -35.485 -4.462 1.00 0.00 ? 94 PRO A C 3 ATOM 4536 O O . PRO A 1 94 ? 3.574 -36.231 -4.796 1.00 0.00 ? 94 PRO A O 3 ATOM 4537 C CB . PRO A 1 94 ? 5.248 -35.785 -2.086 1.00 0.00 ? 94 PRO A CB 3 ATOM 4538 C CG . PRO A 1 94 ? 4.158 -36.565 -1.435 1.00 0.00 ? 94 PRO A CG 3 ATOM 4539 C CD . PRO A 1 94 ? 2.974 -35.641 -1.362 1.00 0.00 ? 94 PRO A CD 3 ATOM 4540 H HA . PRO A 1 94 ? 5.042 -33.911 -3.117 1.00 0.00 ? 94 PRO A HA 3 ATOM 4541 H HB2 . PRO A 1 94 ? 5.928 -36.430 -2.625 1.00 0.00 ? 94 PRO A HB2 3 ATOM 4542 H HB3 . PRO A 1 94 ? 5.795 -35.195 -1.367 1.00 0.00 ? 94 PRO A HB3 3 ATOM 4543 H HG2 . PRO A 1 94 ? 3.921 -37.433 -2.031 1.00 0.00 ? 94 PRO A HG2 3 ATOM 4544 H HG3 . PRO A 1 94 ? 4.463 -36.862 -0.442 1.00 0.00 ? 94 PRO A HG3 3 ATOM 4545 H HD2 . PRO A 1 94 ? 2.055 -36.195 -1.486 1.00 0.00 ? 94 PRO A HD2 3 ATOM 4546 H HD3 . PRO A 1 94 ? 2.970 -35.106 -0.424 1.00 0.00 ? 94 PRO A HD3 3 ATOM 4547 N N . SER A 1 95 ? 5.505 -35.176 -5.269 1.00 0.00 ? 95 SER A N 3 ATOM 4548 C CA . SER A 1 95 ? 5.589 -35.705 -6.625 1.00 0.00 ? 95 SER A CA 3 ATOM 4549 C C . SER A 1 95 ? 7.040 -35.967 -7.017 1.00 0.00 ? 95 SER A C 3 ATOM 4550 O O . SER A 1 95 ? 7.937 -35.197 -6.673 1.00 0.00 ? 95 SER A O 3 ATOM 4551 C CB . SER A 1 95 ? 4.950 -34.731 -7.616 1.00 0.00 ? 95 SER A CB 3 ATOM 4552 O OG . SER A 1 95 ? 5.658 -33.504 -7.654 1.00 0.00 ? 95 SER A OG 3 ATOM 4553 H H . SER A 1 95 ? 6.209 -34.576 -4.945 1.00 0.00 ? 95 SER A H 3 ATOM 4554 H HA . SER A 1 95 ? 5.047 -36.639 -6.651 1.00 0.00 ? 95 SER A HA 3 ATOM 4555 H HB2 . SER A 1 95 ? 4.958 -35.168 -8.603 1.00 0.00 ? 95 SER A HB2 3 ATOM 4556 H HB3 . SER A 1 95 ? 3.930 -34.535 -7.317 1.00 0.00 ? 95 SER A HB3 3 ATOM 4557 H HG . SER A 1 95 ? 5.049 -32.789 -7.854 1.00 0.00 ? 95 SER A HG 3 ATOM 4558 N N . SER A 1 96 ? 7.263 -37.061 -7.738 1.00 0.00 ? 96 SER A N 3 ATOM 4559 C CA . SER A 1 96 ? 8.606 -37.428 -8.175 1.00 0.00 ? 96 SER A CA 3 ATOM 4560 C C . SER A 1 96 ? 8.550 -38.489 -9.270 1.00 0.00 ? 96 SER A C 3 ATOM 4561 O O . SER A 1 96 ? 8.116 -39.616 -9.036 1.00 0.00 ? 96 SER A O 3 ATOM 4562 C CB . SER A 1 96 ? 9.426 -37.944 -6.991 1.00 0.00 ? 96 SER A CB 3 ATOM 4563 O OG . SER A 1 96 ? 8.732 -38.965 -6.295 1.00 0.00 ? 96 SER A OG 3 ATOM 4564 H H . SER A 1 96 ? 6.507 -37.636 -7.981 1.00 0.00 ? 96 SER A H 3 ATOM 4565 H HA . SER A 1 96 ? 9.079 -36.543 -8.571 1.00 0.00 ? 96 SER A HA 3 ATOM 4566 H HB2 . SER A 1 96 ? 10.362 -38.344 -7.351 1.00 0.00 ? 96 SER A HB2 3 ATOM 4567 H HB3 . SER A 1 96 ? 9.621 -37.129 -6.309 1.00 0.00 ? 96 SER A HB3 3 ATOM 4568 H HG . SER A 1 96 ? 9.039 -38.999 -5.386 1.00 0.00 ? 96 SER A HG 3 ATOM 4569 N N . GLY A 1 97 ? 8.992 -38.118 -10.468 1.00 0.00 ? 97 GLY A N 3 ATOM 4570 C CA . GLY A 1 97 ? 8.984 -39.048 -11.582 1.00 0.00 ? 97 GLY A CA 3 ATOM 4571 C C . GLY A 1 97 ? 9.706 -40.342 -11.263 1.00 0.00 ? 97 GLY A C 3 ATOM 4572 O O . GLY A 1 97 ? 10.891 -40.332 -10.928 1.00 0.00 ? 97 GLY A O 3 ATOM 4573 H H . GLY A 1 97 ? 9.326 -37.206 -10.596 1.00 0.00 ? 97 GLY A H 3 ATOM 4574 H HA2 . GLY A 1 97 ? 7.960 -39.274 -11.841 1.00 0.00 ? 97 GLY A HA2 3 ATOM 4575 H HA3 . GLY A 1 97 ? 9.464 -38.580 -12.429 1.00 0.00 ? 97 GLY A HA3 3 ATOM 4576 N N . GLY A 1 1 ? -8.711 19.640 8.268 1.00 0.00 ? 1 GLY A N 4 ATOM 4577 C CA . GLY A 1 1 ? -7.765 18.556 8.079 1.00 0.00 ? 1 GLY A CA 4 ATOM 4578 C C . GLY A 1 1 ? -7.669 17.651 9.292 1.00 0.00 ? 1 GLY A C 4 ATOM 4579 O O . GLY A 1 1 ? -7.725 18.119 10.429 1.00 0.00 ? 1 GLY A O 4 ATOM 4580 H H1 . GLY A 1 1 ? -9.422 19.787 7.610 1.00 0.00 ? 1 GLY A H1 4 ATOM 4581 H HA2 . GLY A 1 1 ? -8.073 17.968 7.227 1.00 0.00 ? 1 GLY A HA2 4 ATOM 4582 H HA3 . GLY A 1 1 ? -6.789 18.976 7.880 1.00 0.00 ? 1 GLY A HA3 4 ATOM 4583 N N . SER A 1 2 ? -7.526 16.352 9.049 1.00 0.00 ? 2 SER A N 4 ATOM 4584 C CA . SER A 1 2 ? -7.428 15.379 10.131 1.00 0.00 ? 2 SER A CA 4 ATOM 4585 C C . SER A 1 2 ? -6.040 15.408 10.764 1.00 0.00 ? 2 SER A C 4 ATOM 4586 O O . SER A 1 2 ? -5.901 15.582 11.974 1.00 0.00 ? 2 SER A O 4 ATOM 4587 C CB . SER A 1 2 ? -7.734 13.974 9.609 1.00 0.00 ? 2 SER A CB 4 ATOM 4588 O OG . SER A 1 2 ? -8.219 13.140 10.647 1.00 0.00 ? 2 SER A OG 4 ATOM 4589 H H . SER A 1 2 ? -7.488 16.041 8.120 1.00 0.00 ? 2 SER A H 4 ATOM 4590 H HA . SER A 1 2 ? -8.158 15.643 10.881 1.00 0.00 ? 2 SER A HA 4 ATOM 4591 H HB2 . SER A 1 2 ? -8.482 14.035 8.833 1.00 0.00 ? 2 SER A HB2 4 ATOM 4592 H HB3 . SER A 1 2 ? -6.831 13.538 9.206 1.00 0.00 ? 2 SER A HB3 4 ATOM 4593 H HG . SER A 1 2 ? -7.950 12.233 10.482 1.00 0.00 ? 2 SER A HG 4 ATOM 4594 N N . SER A 1 3 ? -5.015 15.236 9.935 1.00 0.00 ? 3 SER A N 4 ATOM 4595 C CA . SER A 1 3 ? -3.637 15.239 10.413 1.00 0.00 ? 3 SER A CA 4 ATOM 4596 C C . SER A 1 3 ? -3.216 16.638 10.850 1.00 0.00 ? 3 SER A C 4 ATOM 4597 O O . SER A 1 3 ? -3.253 17.584 10.064 1.00 0.00 ? 3 SER A O 4 ATOM 4598 C CB . SER A 1 3 ? -2.695 14.729 9.320 1.00 0.00 ? 3 SER A CB 4 ATOM 4599 O OG . SER A 1 3 ? -2.616 13.314 9.335 1.00 0.00 ? 3 SER A OG 4 ATOM 4600 H H . SER A 1 3 ? -5.190 15.102 8.980 1.00 0.00 ? 3 SER A H 4 ATOM 4601 H HA . SER A 1 3 ? -3.580 14.576 11.264 1.00 0.00 ? 3 SER A HA 4 ATOM 4602 H HB2 . SER A 1 3 ? -3.061 15.047 8.356 1.00 0.00 ? 3 SER A HB2 4 ATOM 4603 H HB3 . SER A 1 3 ? -1.707 15.134 9.483 1.00 0.00 ? 3 SER A HB3 4 ATOM 4604 H HG . SER A 1 3 ? -2.755 12.994 10.230 1.00 0.00 ? 3 SER A HG 4 ATOM 4605 N N . GLY A 1 4 ? -2.816 16.762 12.112 1.00 0.00 ? 4 GLY A N 4 ATOM 4606 C CA . GLY A 1 4 ? -2.394 18.049 12.634 1.00 0.00 ? 4 GLY A CA 4 ATOM 4607 C C . GLY A 1 4 ? -3.481 19.100 12.533 1.00 0.00 ? 4 GLY A C 4 ATOM 4608 O O . GLY A 1 4 ? -4.618 18.795 12.171 1.00 0.00 ? 4 GLY A O 4 ATOM 4609 H H . GLY A 1 4 ? -2.808 15.973 12.694 1.00 0.00 ? 4 GLY A H 4 ATOM 4610 H HA2 . GLY A 1 4 ? -2.117 17.931 13.671 1.00 0.00 ? 4 GLY A HA2 4 ATOM 4611 H HA3 . GLY A 1 4 ? -1.532 18.385 12.077 1.00 0.00 ? 4 GLY A HA3 4 ATOM 4612 N N . SER A 1 5 ? -3.133 20.342 12.854 1.00 0.00 ? 5 SER A N 4 ATOM 4613 C CA . SER A 1 5 ? -4.089 21.442 12.803 1.00 0.00 ? 5 SER A CA 4 ATOM 4614 C C . SER A 1 5 ? -4.170 22.026 11.396 1.00 0.00 ? 5 SER A C 4 ATOM 4615 O O . SER A 1 5 ? -5.254 22.157 10.827 1.00 0.00 ? 5 SER A O 4 ATOM 4616 C CB . SER A 1 5 ? -3.697 22.534 13.799 1.00 0.00 ? 5 SER A CB 4 ATOM 4617 O OG . SER A 1 5 ? -4.807 23.354 14.120 1.00 0.00 ? 5 SER A OG 4 ATOM 4618 H H . SER A 1 5 ? -2.211 20.522 13.135 1.00 0.00 ? 5 SER A H 4 ATOM 4619 H HA . SER A 1 5 ? -5.059 21.051 13.074 1.00 0.00 ? 5 SER A HA 4 ATOM 4620 H HB2 . SER A 1 5 ? -3.329 22.076 14.705 1.00 0.00 ? 5 SER A HB2 4 ATOM 4621 H HB3 . SER A 1 5 ? -2.921 23.150 13.367 1.00 0.00 ? 5 SER A HB3 4 ATOM 4622 H HG . SER A 1 5 ? -5.440 23.333 13.400 1.00 0.00 ? 5 SER A HG 4 ATOM 4623 N N . SER A 1 6 ? -3.014 22.377 10.840 1.00 0.00 ? 6 SER A N 4 ATOM 4624 C CA . SER A 1 6 ? -2.953 22.952 9.502 1.00 0.00 ? 6 SER A CA 4 ATOM 4625 C C . SER A 1 6 ? -2.058 22.115 8.592 1.00 0.00 ? 6 SER A C 4 ATOM 4626 O O . SER A 1 6 ? -1.054 21.557 9.033 1.00 0.00 ? 6 SER A O 4 ATOM 4627 C CB . SER A 1 6 ? -2.434 24.390 9.564 1.00 0.00 ? 6 SER A CB 4 ATOM 4628 O OG . SER A 1 6 ? -1.149 24.443 10.158 1.00 0.00 ? 6 SER A OG 4 ATOM 4629 H H . SER A 1 6 ? -2.184 22.248 11.344 1.00 0.00 ? 6 SER A H 4 ATOM 4630 H HA . SER A 1 6 ? -3.954 22.956 9.097 1.00 0.00 ? 6 SER A HA 4 ATOM 4631 H HB2 . SER A 1 6 ? -2.372 24.791 8.564 1.00 0.00 ? 6 SER A HB2 4 ATOM 4632 H HB3 . SER A 1 6 ? -3.115 24.989 10.151 1.00 0.00 ? 6 SER A HB3 4 ATOM 4633 H HG . SER A 1 6 ? -1.162 25.055 10.897 1.00 0.00 ? 6 SER A HG 4 ATOM 4634 N N . GLY A 1 7 ? -2.431 22.033 7.318 1.00 0.00 ? 7 GLY A N 4 ATOM 4635 C CA . GLY A 1 7 ? -1.653 21.263 6.365 1.00 0.00 ? 7 GLY A CA 4 ATOM 4636 C C . GLY A 1 7 ? -2.228 21.323 4.964 1.00 0.00 ? 7 GLY A C 4 ATOM 4637 O O . GLY A 1 7 ? -3.183 22.056 4.709 1.00 0.00 ? 7 GLY A O 4 ATOM 4638 H H . GLY A 1 7 ? -3.242 22.499 7.023 1.00 0.00 ? 7 GLY A H 4 ATOM 4639 H HA2 . GLY A 1 7 ? -0.644 21.648 6.347 1.00 0.00 ? 7 GLY A HA2 4 ATOM 4640 H HA3 . GLY A 1 7 ? -1.628 20.232 6.688 1.00 0.00 ? 7 GLY A HA3 4 ATOM 4641 N N . MET A 1 8 ? -1.644 20.552 4.053 1.00 0.00 ? 8 MET A N 4 ATOM 4642 C CA . MET A 1 8 ? -2.104 20.521 2.670 1.00 0.00 ? 8 MET A CA 4 ATOM 4643 C C . MET A 1 8 ? -3.470 19.852 2.566 1.00 0.00 ? 8 MET A C 4 ATOM 4644 O O . MET A 1 8 ? -3.567 18.661 2.273 1.00 0.00 ? 8 MET A O 4 ATOM 4645 C CB . MET A 1 8 ? -1.093 19.783 1.790 1.00 0.00 ? 8 MET A CB 4 ATOM 4646 C CG . MET A 1 8 ? 0.042 20.666 1.297 1.00 0.00 ? 8 MET A CG 4 ATOM 4647 S SD . MET A 1 8 ? -0.335 21.471 -0.272 1.00 0.00 ? 8 MET A SD 4 ATOM 4648 C CE . MET A 1 8 ? 0.813 20.637 -1.365 1.00 0.00 ? 8 MET A CE 4 ATOM 4649 H H . MET A 1 8 ? -0.886 19.989 4.317 1.00 0.00 ? 8 MET A H 4 ATOM 4650 H HA . MET A 1 8 ? -2.189 21.542 2.327 1.00 0.00 ? 8 MET A HA 4 ATOM 4651 H HB2 . MET A 1 8 ? -0.667 18.969 2.357 1.00 0.00 ? 8 MET A HB2 4 ATOM 4652 H HB3 . MET A 1 8 ? -1.608 19.382 0.929 1.00 0.00 ? 8 MET A HB3 4 ATOM 4653 H HG2 . MET A 1 8 ? 0.237 21.427 2.037 1.00 0.00 ? 8 MET A HG2 4 ATOM 4654 H HG3 . MET A 1 8 ? 0.924 20.056 1.170 1.00 0.00 ? 8 MET A HG3 4 ATOM 4655 H HE1 . MET A 1 8 ? 1.822 20.943 -1.129 1.00 0.00 ? 8 MET A HE1 4 ATOM 4656 H HE2 . MET A 1 8 ? 0.721 19.568 -1.236 1.00 0.00 ? 8 MET A HE2 4 ATOM 4657 H HE3 . MET A 1 8 ? 0.588 20.897 -2.389 1.00 0.00 ? 8 MET A HE3 4 ATOM 4658 N N . GLU A 1 9 ? -4.524 20.626 2.809 1.00 0.00 ? 9 GLU A N 4 ATOM 4659 C CA . GLU A 1 9 ? -5.884 20.105 2.744 1.00 0.00 ? 9 GLU A CA 4 ATOM 4660 C C . GLU A 1 9 ? -6.283 19.805 1.301 1.00 0.00 ? 9 GLU A C 4 ATOM 4661 O O . GLU A 1 9 ? -6.980 20.592 0.662 1.00 0.00 ? 9 GLU A O 4 ATOM 4662 C CB . GLU A 1 9 ? -6.866 21.105 3.359 1.00 0.00 ? 9 GLU A CB 4 ATOM 4663 C CG . GLU A 1 9 ? -6.564 21.441 4.809 1.00 0.00 ? 9 GLU A CG 4 ATOM 4664 C CD . GLU A 1 9 ? -7.779 21.958 5.554 1.00 0.00 ? 9 GLU A CD 4 ATOM 4665 O OE1 . GLU A 1 9 ? -8.413 22.915 5.062 1.00 0.00 ? 9 GLU A OE1 4 ATOM 4666 O OE2 . GLU A 1 9 ? -8.096 21.406 6.628 1.00 0.00 ? 9 GLU A OE2 4 ATOM 4667 H H . GLU A 1 9 ? -4.383 21.568 3.038 1.00 0.00 ? 9 GLU A H 4 ATOM 4668 H HA . GLU A 1 9 ? -5.916 19.188 3.311 1.00 0.00 ? 9 GLU A HA 4 ATOM 4669 H HB2 . GLU A 1 9 ? -6.838 22.019 2.785 1.00 0.00 ? 9 GLU A HB2 4 ATOM 4670 H HB3 . GLU A 1 9 ? -7.862 20.689 3.308 1.00 0.00 ? 9 GLU A HB3 4 ATOM 4671 H HG2 . GLU A 1 9 ? -6.208 20.551 5.306 1.00 0.00 ? 9 GLU A HG2 4 ATOM 4672 H HG3 . GLU A 1 9 ? -5.794 22.199 4.836 1.00 0.00 ? 9 GLU A HG3 4 ATOM 4673 N N . GLY A 1 10 ? -5.835 18.660 0.795 1.00 0.00 ? 10 GLY A N 4 ATOM 4674 C CA . GLY A 1 10 ? -6.154 18.276 -0.567 1.00 0.00 ? 10 GLY A CA 4 ATOM 4675 C C . GLY A 1 10 ? -5.485 16.979 -0.976 1.00 0.00 ? 10 GLY A C 4 ATOM 4676 O O . GLY A 1 10 ? -6.129 15.939 -1.113 1.00 0.00 ? 10 GLY A O 4 ATOM 4677 H H . GLY A 1 10 ? -5.283 18.072 1.352 1.00 0.00 ? 10 GLY A H 4 ATOM 4678 H HA2 . GLY A 1 10 ? -7.224 18.161 -0.656 1.00 0.00 ? 10 GLY A HA2 4 ATOM 4679 H HA3 . GLY A 1 10 ? -5.831 19.061 -1.235 1.00 0.00 ? 10 GLY A HA3 4 ATOM 4680 N N . PRO A 1 11 ? -4.160 17.032 -1.180 1.00 0.00 ? 11 PRO A N 4 ATOM 4681 C CA . PRO A 1 11 ? -3.374 15.861 -1.580 1.00 0.00 ? 11 PRO A CA 4 ATOM 4682 C C . PRO A 1 11 ? -3.260 14.830 -0.462 1.00 0.00 ? 11 PRO A C 4 ATOM 4683 O O . PRO A 1 11 ? -3.032 13.646 -0.716 1.00 0.00 ? 11 PRO A O 4 ATOM 4684 C CB . PRO A 1 11 ? -1.999 16.451 -1.905 1.00 0.00 ? 11 PRO A CB 4 ATOM 4685 C CG . PRO A 1 11 ? -1.924 17.702 -1.100 1.00 0.00 ? 11 PRO A CG 4 ATOM 4686 C CD . PRO A 1 11 ? -3.328 18.238 -1.035 1.00 0.00 ? 11 PRO A CD 4 ATOM 4687 H HA . PRO A 1 11 ? -3.783 15.390 -2.462 1.00 0.00 ? 11 PRO A HA 4 ATOM 4688 H HB2 . PRO A 1 11 ? -1.227 15.750 -1.620 1.00 0.00 ? 11 PRO A HB2 4 ATOM 4689 H HB3 . PRO A 1 11 ? -1.933 16.658 -2.963 1.00 0.00 ? 11 PRO A HB3 4 ATOM 4690 H HG2 . PRO A 1 11 ? -1.561 17.480 -0.109 1.00 0.00 ? 11 PRO A HG2 4 ATOM 4691 H HG3 . PRO A 1 11 ? -1.274 18.414 -1.588 1.00 0.00 ? 11 PRO A HG3 4 ATOM 4692 H HD2 . PRO A 1 11 ? -3.505 18.717 -0.084 1.00 0.00 ? 11 PRO A HD2 4 ATOM 4693 H HD3 . PRO A 1 11 ? -3.506 18.928 -1.846 1.00 0.00 ? 11 PRO A HD3 4 ATOM 4694 N N . LEU A 1 12 ? -3.420 15.286 0.775 1.00 0.00 ? 12 LEU A N 4 ATOM 4695 C CA . LEU A 1 12 ? -3.336 14.402 1.933 1.00 0.00 ? 12 LEU A CA 4 ATOM 4696 C C . LEU A 1 12 ? -4.509 13.428 1.961 1.00 0.00 ? 12 LEU A C 4 ATOM 4697 O O . LEU A 1 12 ? -4.324 12.223 2.127 1.00 0.00 ? 12 LEU A O 4 ATOM 4698 C CB . LEU A 1 12 ? -3.308 15.222 3.224 1.00 0.00 ? 12 LEU A CB 4 ATOM 4699 C CG . LEU A 1 12 ? -1.981 15.904 3.557 1.00 0.00 ? 12 LEU A CG 4 ATOM 4700 C CD1 . LEU A 1 12 ? -2.183 16.975 4.619 1.00 0.00 ? 12 LEU A CD1 4 ATOM 4701 C CD2 . LEU A 1 12 ? -0.955 14.879 4.019 1.00 0.00 ? 12 LEU A CD2 4 ATOM 4702 H H . LEU A 1 12 ? -3.599 16.238 0.915 1.00 0.00 ? 12 LEU A H 4 ATOM 4703 H HA . LEU A 1 12 ? -2.418 13.839 1.854 1.00 0.00 ? 12 LEU A HA 4 ATOM 4704 H HB2 . LEU A 1 12 ? -4.063 15.988 3.145 1.00 0.00 ? 12 LEU A HB2 4 ATOM 4705 H HB3 . LEU A 1 12 ? -3.555 14.559 4.041 1.00 0.00 ? 12 LEU A HB3 4 ATOM 4706 H HG . LEU A 1 12 ? -1.597 16.385 2.668 1.00 0.00 ? 12 LEU A HG 4 ATOM 4707 H HD11 . LEU A 1 12 ? -1.262 17.520 4.759 1.00 0.00 ? 12 LEU A HD11 4 ATOM 4708 H HD12 . LEU A 1 12 ? -2.471 16.509 5.549 1.00 0.00 ? 12 LEU A HD12 4 ATOM 4709 H HD13 . LEU A 1 12 ? -2.960 17.654 4.301 1.00 0.00 ? 12 LEU A HD13 4 ATOM 4710 H HD21 . LEU A 1 12 ? -0.089 15.390 4.413 1.00 0.00 ? 12 LEU A HD21 4 ATOM 4711 H HD22 . LEU A 1 12 ? -0.660 14.263 3.182 1.00 0.00 ? 12 LEU A HD22 4 ATOM 4712 H HD23 . LEU A 1 12 ? -1.388 14.258 4.789 1.00 0.00 ? 12 LEU A HD23 4 ATOM 4713 N N . ASN A 1 13 ? -5.716 13.958 1.795 1.00 0.00 ? 13 ASN A N 4 ATOM 4714 C CA . ASN A 1 13 ? -6.920 13.135 1.800 1.00 0.00 ? 13 ASN A CA 4 ATOM 4715 C C . ASN A 1 13 ? -6.927 12.175 0.614 1.00 0.00 ? 13 ASN A C 4 ATOM 4716 O O . ASN A 1 13 ? -7.128 10.970 0.778 1.00 0.00 ? 13 ASN A O 4 ATOM 4717 C CB . ASN A 1 13 ? -8.168 14.020 1.760 1.00 0.00 ? 13 ASN A CB 4 ATOM 4718 C CG . ASN A 1 13 ? -9.434 13.248 2.077 1.00 0.00 ? 13 ASN A CG 4 ATOM 4719 O OD1 . ASN A 1 13 ? -9.560 12.652 3.147 1.00 0.00 ? 13 ASN A OD1 4 ATOM 4720 N ND2 . ASN A 1 13 ? -10.380 13.255 1.144 1.00 0.00 ? 13 ASN A ND2 4 ATOM 4721 H H . ASN A 1 13 ? -5.800 14.926 1.667 1.00 0.00 ? 13 ASN A H 4 ATOM 4722 H HA . ASN A 1 13 ? -6.926 12.561 2.714 1.00 0.00 ? 13 ASN A HA 4 ATOM 4723 H HB2 . ASN A 1 13 ? -8.063 14.813 2.486 1.00 0.00 ? 13 ASN A HB2 4 ATOM 4724 H HB3 . ASN A 1 13 ? -8.267 14.450 0.775 1.00 0.00 ? 13 ASN A HB3 4 ATOM 4725 H HD21 . ASN A 1 13 ? -10.210 13.751 0.316 1.00 0.00 ? 13 ASN A HD21 4 ATOM 4726 H HD22 . ASN A 1 13 ? -11.209 12.764 1.323 1.00 0.00 ? 13 ASN A HD22 4 ATOM 4727 N N . LEU A 1 14 ? -6.706 12.715 -0.579 1.00 0.00 ? 14 LEU A N 4 ATOM 4728 C CA . LEU A 1 14 ? -6.685 11.906 -1.793 1.00 0.00 ? 14 LEU A CA 4 ATOM 4729 C C . LEU A 1 14 ? -5.773 10.695 -1.625 1.00 0.00 ? 14 LEU A C 4 ATOM 4730 O O . LEU A 1 14 ? -6.062 9.613 -2.135 1.00 0.00 ? 14 LEU A O 4 ATOM 4731 C CB . LEU A 1 14 ? -6.221 12.748 -2.982 1.00 0.00 ? 14 LEU A CB 4 ATOM 4732 C CG . LEU A 1 14 ? -7.273 13.665 -3.607 1.00 0.00 ? 14 LEU A CG 4 ATOM 4733 C CD1 . LEU A 1 14 ? -6.639 14.570 -4.652 1.00 0.00 ? 14 LEU A CD1 4 ATOM 4734 C CD2 . LEU A 1 14 ? -8.398 12.844 -4.221 1.00 0.00 ? 14 LEU A CD2 4 ATOM 4735 H H . LEU A 1 14 ? -6.553 13.680 -0.647 1.00 0.00 ? 14 LEU A H 4 ATOM 4736 H HA . LEU A 1 14 ? -7.692 11.561 -1.978 1.00 0.00 ? 14 LEU A HA 4 ATOM 4737 H HB2 . LEU A 1 14 ? -5.400 13.365 -2.650 1.00 0.00 ? 14 LEU A HB2 4 ATOM 4738 H HB3 . LEU A 1 14 ? -5.873 12.071 -3.750 1.00 0.00 ? 14 LEU A HB3 4 ATOM 4739 H HG . LEU A 1 14 ? -7.698 14.293 -2.836 1.00 0.00 ? 14 LEU A HG 4 ATOM 4740 H HD11 . LEU A 1 14 ? -7.168 14.465 -5.588 1.00 0.00 ? 14 LEU A HD11 4 ATOM 4741 H HD12 . LEU A 1 14 ? -5.605 14.291 -4.790 1.00 0.00 ? 14 LEU A HD12 4 ATOM 4742 H HD13 . LEU A 1 14 ? -6.694 15.596 -4.320 1.00 0.00 ? 14 LEU A HD13 4 ATOM 4743 H HD21 . LEU A 1 14 ? -8.857 12.235 -3.457 1.00 0.00 ? 14 LEU A HD21 4 ATOM 4744 H HD22 . LEU A 1 14 ? -7.998 12.208 -4.997 1.00 0.00 ? 14 LEU A HD22 4 ATOM 4745 H HD23 . LEU A 1 14 ? -9.137 13.508 -4.645 1.00 0.00 ? 14 LEU A HD23 4 ATOM 4746 N N . ALA A 1 15 ? -4.672 10.885 -0.905 1.00 0.00 ? 15 ALA A N 4 ATOM 4747 C CA . ALA A 1 15 ? -3.720 9.808 -0.667 1.00 0.00 ? 15 ALA A CA 4 ATOM 4748 C C . ALA A 1 15 ? -4.278 8.792 0.324 1.00 0.00 ? 15 ALA A C 4 ATOM 4749 O O . ALA A 1 15 ? -4.011 7.594 0.218 1.00 0.00 ? 15 ALA A O 4 ATOM 4750 C CB . ALA A 1 15 ? -2.401 10.372 -0.161 1.00 0.00 ? 15 ALA A CB 4 ATOM 4751 H H . ALA A 1 15 ? -4.497 11.771 -0.525 1.00 0.00 ? 15 ALA A H 4 ATOM 4752 H HA . ALA A 1 15 ? -3.534 9.312 -1.609 1.00 0.00 ? 15 ALA A HA 4 ATOM 4753 H HB1 . ALA A 1 15 ? -2.563 10.875 0.781 1.00 0.00 ? 15 ALA A HB1 4 ATOM 4754 H HB2 . ALA A 1 15 ? -1.694 9.567 -0.023 1.00 0.00 ? 15 ALA A HB2 4 ATOM 4755 H HB3 . ALA A 1 15 ? -2.010 11.074 -0.882 1.00 0.00 ? 15 ALA A HB3 4 ATOM 4756 N N . HIS A 1 16 ? -5.052 9.277 1.289 1.00 0.00 ? 16 HIS A N 4 ATOM 4757 C CA . HIS A 1 16 ? -5.648 8.410 2.300 1.00 0.00 ? 16 HIS A CA 4 ATOM 4758 C C . HIS A 1 16 ? -6.601 7.405 1.661 1.00 0.00 ? 16 HIS A C 4 ATOM 4759 O O . HIS A 1 16 ? -6.638 6.238 2.049 1.00 0.00 ? 16 HIS A O 4 ATOM 4760 C CB . HIS A 1 16 ? -6.392 9.245 3.344 1.00 0.00 ? 16 HIS A CB 4 ATOM 4761 C CG . HIS A 1 16 ? -5.532 10.272 4.013 1.00 0.00 ? 16 HIS A CG 4 ATOM 4762 N ND1 . HIS A 1 16 ? -6.045 11.314 4.756 1.00 0.00 ? 16 HIS A ND1 4 ATOM 4763 C CD2 . HIS A 1 16 ? -4.186 10.411 4.051 1.00 0.00 ? 16 HIS A CD2 4 ATOM 4764 C CE1 . HIS A 1 16 ? -5.052 12.052 5.220 1.00 0.00 ? 16 HIS A CE1 4 ATOM 4765 N NE2 . HIS A 1 16 ? -3.913 11.525 4.807 1.00 0.00 ? 16 HIS A NE2 4 ATOM 4766 H H . HIS A 1 16 ? -5.228 10.240 1.322 1.00 0.00 ? 16 HIS A H 4 ATOM 4767 H HA . HIS A 1 16 ? -4.849 7.871 2.787 1.00 0.00 ? 16 HIS A HA 4 ATOM 4768 H HB2 . HIS A 1 16 ? -7.211 9.760 2.865 1.00 0.00 ? 16 HIS A HB2 4 ATOM 4769 H HB3 . HIS A 1 16 ? -6.783 8.588 4.108 1.00 0.00 ? 16 HIS A HB3 4 ATOM 4770 H HD1 . HIS A 1 16 ? -6.995 11.488 4.918 1.00 0.00 ? 16 HIS A HD1 4 ATOM 4771 H HD2 . HIS A 1 16 ? -3.460 9.767 3.575 1.00 0.00 ? 16 HIS A HD2 4 ATOM 4772 H HE1 . HIS A 1 16 ? -5.153 12.934 5.834 1.00 0.00 ? 16 HIS A HE1 4 ATOM 4773 H HE2 . HIS A 1 16 ? -3.028 11.923 4.937 1.00 0.00 ? 16 HIS A HE2 4 ATOM 4774 N N . GLN A 1 17 ? -7.371 7.868 0.681 1.00 0.00 ? 17 GLN A N 4 ATOM 4775 C CA . GLN A 1 17 ? -8.325 7.009 -0.010 1.00 0.00 ? 17 GLN A CA 4 ATOM 4776 C C . GLN A 1 17 ? -7.650 5.733 -0.505 1.00 0.00 ? 17 GLN A C 4 ATOM 4777 O O . GLN A 1 17 ? -8.134 4.629 -0.259 1.00 0.00 ? 17 GLN A O 4 ATOM 4778 C CB . GLN A 1 17 ? -8.956 7.755 -1.187 1.00 0.00 ? 17 GLN A CB 4 ATOM 4779 C CG . GLN A 1 17 ? -9.943 8.832 -0.765 1.00 0.00 ? 17 GLN A CG 4 ATOM 4780 C CD . GLN A 1 17 ? -10.574 9.541 -1.947 1.00 0.00 ? 17 GLN A CD 4 ATOM 4781 O OE1 . GLN A 1 17 ? -11.304 8.934 -2.732 1.00 0.00 ? 17 GLN A OE1 4 ATOM 4782 N NE2 . GLN A 1 17 ? -10.296 10.832 -2.080 1.00 0.00 ? 17 GLN A NE2 4 ATOM 4783 H H . GLN A 1 17 ? -7.295 8.808 0.417 1.00 0.00 ? 17 GLN A H 4 ATOM 4784 H HA . GLN A 1 17 ? -9.099 6.742 0.692 1.00 0.00 ? 17 GLN A HA 4 ATOM 4785 H HB2 . GLN A 1 17 ? -8.172 8.221 -1.764 1.00 0.00 ? 17 GLN A HB2 4 ATOM 4786 H HB3 . GLN A 1 17 ? -9.478 7.044 -1.810 1.00 0.00 ? 17 GLN A HB3 4 ATOM 4787 H HG2 . GLN A 1 17 ? -10.726 8.375 -0.179 1.00 0.00 ? 17 GLN A HG2 4 ATOM 4788 H HG3 . GLN A 1 17 ? -9.423 9.562 -0.162 1.00 0.00 ? 17 GLN A HG3 4 ATOM 4789 H HE21 . GLN A 1 17 ? -9.706 11.249 -1.418 1.00 0.00 ? 17 GLN A HE21 4 ATOM 4790 H HE22 . GLN A 1 17 ? -10.690 11.315 -2.836 1.00 0.00 ? 17 GLN A HE22 4 ATOM 4791 N N . GLN A 1 18 ? -6.531 5.895 -1.204 1.00 0.00 ? 18 GLN A N 4 ATOM 4792 C CA . GLN A 1 18 ? -5.792 4.756 -1.734 1.00 0.00 ? 18 GLN A CA 4 ATOM 4793 C C . GLN A 1 18 ? -5.398 3.794 -0.617 1.00 0.00 ? 18 GLN A C 4 ATOM 4794 O O . GLN A 1 18 ? -5.677 2.597 -0.689 1.00 0.00 ? 18 GLN A O 4 ATOM 4795 C CB . GLN A 1 18 ? -4.542 5.233 -2.476 1.00 0.00 ? 18 GLN A CB 4 ATOM 4796 C CG . GLN A 1 18 ? -4.843 5.909 -3.803 1.00 0.00 ? 18 GLN A CG 4 ATOM 4797 C CD . GLN A 1 18 ? -4.932 4.925 -4.953 1.00 0.00 ? 18 GLN A CD 4 ATOM 4798 O OE1 . GLN A 1 18 ? -4.022 4.126 -5.173 1.00 0.00 ? 18 GLN A OE1 4 ATOM 4799 N NE2 . GLN A 1 18 ? -6.033 4.979 -5.694 1.00 0.00 ? 18 GLN A NE2 4 ATOM 4800 H H . GLN A 1 18 ? -6.196 6.800 -1.367 1.00 0.00 ? 18 GLN A H 4 ATOM 4801 H HA . GLN A 1 18 ? -6.435 4.237 -2.429 1.00 0.00 ? 18 GLN A HA 4 ATOM 4802 H HB2 . GLN A 1 18 ? -4.012 5.935 -1.850 1.00 0.00 ? 18 GLN A HB2 4 ATOM 4803 H HB3 . GLN A 1 18 ? -3.904 4.382 -2.667 1.00 0.00 ? 18 GLN A HB3 4 ATOM 4804 H HG2 . GLN A 1 18 ? -5.786 6.430 -3.722 1.00 0.00 ? 18 GLN A HG2 4 ATOM 4805 H HG3 . GLN A 1 18 ? -4.059 6.620 -4.017 1.00 0.00 ? 18 GLN A HG3 4 ATOM 4806 H HE21 . GLN A 1 18 ? -6.716 5.642 -5.461 1.00 0.00 ? 18 GLN A HE21 4 ATOM 4807 H HE22 . GLN A 1 18 ? -6.117 4.355 -6.444 1.00 0.00 ? 18 GLN A HE22 4 ATOM 4808 N N . SER A 1 19 ? -4.749 4.326 0.413 1.00 0.00 ? 19 SER A N 4 ATOM 4809 C CA . SER A 1 19 ? -4.314 3.514 1.544 1.00 0.00 ? 19 SER A CA 4 ATOM 4810 C C . SER A 1 19 ? -5.346 2.440 1.870 1.00 0.00 ? 19 SER A C 4 ATOM 4811 O O . SER A 1 19 ? -5.010 1.265 2.017 1.00 0.00 ? 19 SER A O 4 ATOM 4812 C CB . SER A 1 19 ? -4.074 4.397 2.770 1.00 0.00 ? 19 SER A CB 4 ATOM 4813 O OG . SER A 1 19 ? -3.535 3.644 3.843 1.00 0.00 ? 19 SER A OG 4 ATOM 4814 H H . SER A 1 19 ? -4.556 5.287 0.412 1.00 0.00 ? 19 SER A H 4 ATOM 4815 H HA . SER A 1 19 ? -3.386 3.034 1.269 1.00 0.00 ? 19 SER A HA 4 ATOM 4816 H HB2 . SER A 1 19 ? -3.381 5.184 2.514 1.00 0.00 ? 19 SER A HB2 4 ATOM 4817 H HB3 . SER A 1 19 ? -5.012 4.831 3.086 1.00 0.00 ? 19 SER A HB3 4 ATOM 4818 H HG . SER A 1 19 ? -2.675 3.298 3.591 1.00 0.00 ? 19 SER A HG 4 ATOM 4819 N N . ARG A 1 20 ? -6.605 2.852 1.983 1.00 0.00 ? 20 ARG A N 4 ATOM 4820 C CA . ARG A 1 20 ? -7.687 1.926 2.293 1.00 0.00 ? 20 ARG A CA 4 ATOM 4821 C C . ARG A 1 20 ? -7.640 0.707 1.376 1.00 0.00 ? 20 ARG A C 4 ATOM 4822 O O . ARG A 1 20 ? -7.528 -0.427 1.840 1.00 0.00 ? 20 ARG A O 4 ATOM 4823 C CB . ARG A 1 20 ? -9.040 2.626 2.159 1.00 0.00 ? 20 ARG A CB 4 ATOM 4824 C CG . ARG A 1 20 ? -9.280 3.695 3.213 1.00 0.00 ? 20 ARG A CG 4 ATOM 4825 C CD . ARG A 1 20 ? -10.670 4.298 3.088 1.00 0.00 ? 20 ARG A CD 4 ATOM 4826 N NE . ARG A 1 20 ? -11.658 3.564 3.875 1.00 0.00 ? 20 ARG A NE 4 ATOM 4827 C CZ . ARG A 1 20 ? -12.903 3.984 4.069 1.00 0.00 ? 20 ARG A CZ 4 ATOM 4828 N NH1 . ARG A 1 20 ? -13.311 5.127 3.536 1.00 0.00 ? 20 ARG A NH1 4 ATOM 4829 N NH2 . ARG A 1 20 ? -13.743 3.259 4.796 1.00 0.00 ? 20 ARG A NH2 4 ATOM 4830 H H . ARG A 1 20 ? -6.811 3.801 1.854 1.00 0.00 ? 20 ARG A H 4 ATOM 4831 H HA . ARG A 1 20 ? -7.561 1.598 3.314 1.00 0.00 ? 20 ARG A HA 4 ATOM 4832 H HB2 . ARG A 1 20 ? -9.097 3.092 1.186 1.00 0.00 ? 20 ARG A HB2 4 ATOM 4833 H HB3 . ARG A 1 20 ? -9.824 1.888 2.242 1.00 0.00 ? 20 ARG A HB3 4 ATOM 4834 H HG2 . ARG A 1 20 ? -9.178 3.252 4.192 1.00 0.00 ? 20 ARG A HG2 4 ATOM 4835 H HG3 . ARG A 1 20 ? -8.545 4.477 3.092 1.00 0.00 ? 20 ARG A HG3 4 ATOM 4836 H HD2 . ARG A 1 20 ? -10.637 5.321 3.435 1.00 0.00 ? 20 ARG A HD2 4 ATOM 4837 H HD3 . ARG A 1 20 ? -10.965 4.280 2.050 1.00 0.00 ? 20 ARG A HD3 4 ATOM 4838 H HE . ARG A 1 20 ? -11.378 2.716 4.278 1.00 0.00 ? 20 ARG A HE 4 ATOM 4839 H HH11 . ARG A 1 20 ? -12.680 5.675 2.986 1.00 0.00 ? 20 ARG A HH11 4 ATOM 4840 H HH12 . ARG A 1 20 ? -14.249 5.441 3.682 1.00 0.00 ? 20 ARG A HH12 4 ATOM 4841 H HH21 . ARG A 1 20 ? -13.439 2.397 5.199 1.00 0.00 ? 20 ARG A HH21 4 ATOM 4842 H HH22 . ARG A 1 20 ? -14.680 3.576 4.942 1.00 0.00 ? 20 ARG A HH22 4 ATOM 4843 N N . ARG A 1 21 ? -7.728 0.951 0.072 1.00 0.00 ? 21 ARG A N 4 ATOM 4844 C CA . ARG A 1 21 ? -7.697 -0.127 -0.910 1.00 0.00 ? 21 ARG A CA 4 ATOM 4845 C C . ARG A 1 21 ? -6.649 -1.172 -0.537 1.00 0.00 ? 21 ARG A C 4 ATOM 4846 O O . ARG A 1 21 ? -6.962 -2.353 -0.390 1.00 0.00 ? 21 ARG A O 4 ATOM 4847 C CB . ARG A 1 21 ? -7.402 0.433 -2.303 1.00 0.00 ? 21 ARG A CB 4 ATOM 4848 C CG . ARG A 1 21 ? -6.990 -0.628 -3.310 1.00 0.00 ? 21 ARG A CG 4 ATOM 4849 C CD . ARG A 1 21 ? -7.401 -0.244 -4.723 1.00 0.00 ? 21 ARG A CD 4 ATOM 4850 N NE . ARG A 1 21 ? -7.562 -1.413 -5.583 1.00 0.00 ? 21 ARG A NE 4 ATOM 4851 C CZ . ARG A 1 21 ? -7.747 -1.339 -6.897 1.00 0.00 ? 21 ARG A CZ 4 ATOM 4852 N NH1 . ARG A 1 21 ? -7.792 -0.158 -7.498 1.00 0.00 ? 21 ARG A NH1 4 ATOM 4853 N NH2 . ARG A 1 21 ? -7.885 -2.448 -7.612 1.00 0.00 ? 21 ARG A NH2 4 ATOM 4854 H H . ARG A 1 21 ? -7.816 1.876 -0.237 1.00 0.00 ? 21 ARG A H 4 ATOM 4855 H HA . ARG A 1 21 ? -8.669 -0.596 -0.918 1.00 0.00 ? 21 ARG A HA 4 ATOM 4856 H HB2 . ARG A 1 21 ? -8.288 0.926 -2.675 1.00 0.00 ? 21 ARG A HB2 4 ATOM 4857 H HB3 . ARG A 1 21 ? -6.603 1.155 -2.226 1.00 0.00 ? 21 ARG A HB3 4 ATOM 4858 H HG2 . ARG A 1 21 ? -5.917 -0.744 -3.279 1.00 0.00 ? 21 ARG A HG2 4 ATOM 4859 H HG3 . ARG A 1 21 ? -7.463 -1.563 -3.048 1.00 0.00 ? 21 ARG A HG3 4 ATOM 4860 H HD2 . ARG A 1 21 ? -8.338 0.290 -4.678 1.00 0.00 ? 21 ARG A HD2 4 ATOM 4861 H HD3 . ARG A 1 21 ? -6.641 0.399 -5.142 1.00 0.00 ? 21 ARG A HD3 4 ATOM 4862 H HE . ARG A 1 21 ? -7.532 -2.295 -5.160 1.00 0.00 ? 21 ARG A HE 4 ATOM 4863 H HH11 . ARG A 1 21 ? -7.687 0.679 -6.962 1.00 0.00 ? 21 ARG A HH11 4 ATOM 4864 H HH12 . ARG A 1 21 ? -7.930 -0.105 -8.487 1.00 0.00 ? 21 ARG A HH12 4 ATOM 4865 H HH21 . ARG A 1 21 ? -7.851 -3.340 -7.162 1.00 0.00 ? 21 ARG A HH21 4 ATOM 4866 H HH22 . ARG A 1 21 ? -8.024 -2.391 -8.600 1.00 0.00 ? 21 ARG A HH22 4 ATOM 4867 N N . ALA A 1 22 ? -5.406 -0.728 -0.387 1.00 0.00 ? 22 ALA A N 4 ATOM 4868 C CA . ALA A 1 22 ? -4.313 -1.624 -0.031 1.00 0.00 ? 22 ALA A CA 4 ATOM 4869 C C . ALA A 1 22 ? -4.698 -2.521 1.141 1.00 0.00 ? 22 ALA A C 4 ATOM 4870 O O . ALA A 1 22 ? -4.471 -3.730 1.110 1.00 0.00 ? 22 ALA A O 4 ATOM 4871 C CB . ALA A 1 22 ? -3.062 -0.825 0.302 1.00 0.00 ? 22 ALA A CB 4 ATOM 4872 H H . ALA A 1 22 ? -5.219 0.225 -0.518 1.00 0.00 ? 22 ALA A H 4 ATOM 4873 H HA . ALA A 1 22 ? -4.096 -2.244 -0.889 1.00 0.00 ? 22 ALA A HA 4 ATOM 4874 H HB1 . ALA A 1 22 ? -2.633 -0.434 -0.609 1.00 0.00 ? 22 ALA A HB1 4 ATOM 4875 H HB2 . ALA A 1 22 ? -3.321 -0.008 0.958 1.00 0.00 ? 22 ALA A HB2 4 ATOM 4876 H HB3 . ALA A 1 22 ? -2.344 -1.467 0.792 1.00 0.00 ? 22 ALA A HB3 4 ATOM 4877 N N . ASP A 1 23 ? -5.280 -1.920 2.173 1.00 0.00 ? 23 ASP A N 4 ATOM 4878 C CA . ASP A 1 23 ? -5.696 -2.664 3.356 1.00 0.00 ? 23 ASP A CA 4 ATOM 4879 C C . ASP A 1 23 ? -6.724 -3.731 2.992 1.00 0.00 ? 23 ASP A C 4 ATOM 4880 O O . ASP A 1 23 ? -6.521 -4.917 3.253 1.00 0.00 ? 23 ASP A O 4 ATOM 4881 C CB . ASP A 1 23 ? -6.278 -1.714 4.404 1.00 0.00 ? 23 ASP A CB 4 ATOM 4882 C CG . ASP A 1 23 ? -5.223 -1.186 5.356 1.00 0.00 ? 23 ASP A CG 4 ATOM 4883 O OD1 . ASP A 1 23 ? -4.460 -2.005 5.908 1.00 0.00 ? 23 ASP A OD1 4 ATOM 4884 O OD2 . ASP A 1 23 ? -5.161 0.046 5.549 1.00 0.00 ? 23 ASP A OD2 4 ATOM 4885 H H . ASP A 1 23 ? -5.433 -0.952 2.138 1.00 0.00 ? 23 ASP A H 4 ATOM 4886 H HA . ASP A 1 23 ? -4.824 -3.148 3.767 1.00 0.00 ? 23 ASP A HA 4 ATOM 4887 H HB2 . ASP A 1 23 ? -6.737 -0.874 3.903 1.00 0.00 ? 23 ASP A HB2 4 ATOM 4888 H HB3 . ASP A 1 23 ? -7.027 -2.238 4.979 1.00 0.00 ? 23 ASP A HB3 4 ATOM 4889 N N . ARG A 1 24 ? -7.828 -3.301 2.389 1.00 0.00 ? 24 ARG A N 4 ATOM 4890 C CA . ARG A 1 24 ? -8.888 -4.219 1.992 1.00 0.00 ? 24 ARG A CA 4 ATOM 4891 C C . ARG A 1 24 ? -8.327 -5.376 1.170 1.00 0.00 ? 24 ARG A C 4 ATOM 4892 O O . ARG A 1 24 ? -8.862 -6.485 1.192 1.00 0.00 ? 24 ARG A O 4 ATOM 4893 C CB . ARG A 1 24 ? -9.958 -3.479 1.187 1.00 0.00 ? 24 ARG A CB 4 ATOM 4894 C CG . ARG A 1 24 ? -10.876 -2.619 2.040 1.00 0.00 ? 24 ARG A CG 4 ATOM 4895 C CD . ARG A 1 24 ? -12.073 -3.411 2.542 1.00 0.00 ? 24 ARG A CD 4 ATOM 4896 N NE . ARG A 1 24 ? -12.906 -2.627 3.450 1.00 0.00 ? 24 ARG A NE 4 ATOM 4897 C CZ . ARG A 1 24 ? -13.806 -3.161 4.268 1.00 0.00 ? 24 ARG A CZ 4 ATOM 4898 N NH1 . ARG A 1 24 ? -13.987 -4.474 4.293 1.00 0.00 ? 24 ARG A NH1 4 ATOM 4899 N NH2 . ARG A 1 24 ? -14.526 -2.382 5.065 1.00 0.00 ? 24 ARG A NH2 4 ATOM 4900 H H . ARG A 1 24 ? -7.932 -2.344 2.208 1.00 0.00 ? 24 ARG A H 4 ATOM 4901 H HA . ARG A 1 24 ? -9.337 -4.616 2.890 1.00 0.00 ? 24 ARG A HA 4 ATOM 4902 H HB2 . ARG A 1 24 ? -9.471 -2.840 0.465 1.00 0.00 ? 24 ARG A HB2 4 ATOM 4903 H HB3 . ARG A 1 24 ? -10.563 -4.204 0.663 1.00 0.00 ? 24 ARG A HB3 4 ATOM 4904 H HG2 . ARG A 1 24 ? -10.321 -2.249 2.889 1.00 0.00 ? 24 ARG A HG2 4 ATOM 4905 H HG3 . ARG A 1 24 ? -11.228 -1.788 1.447 1.00 0.00 ? 24 ARG A HG3 4 ATOM 4906 H HD2 . ARG A 1 24 ? -12.669 -3.715 1.694 1.00 0.00 ? 24 ARG A HD2 4 ATOM 4907 H HD3 . ARG A 1 24 ? -11.715 -4.287 3.062 1.00 0.00 ? 24 ARG A HD3 4 ATOM 4908 H HE . ARG A 1 24 ? -12.788 -1.654 3.448 1.00 0.00 ? 24 ARG A HE 4 ATOM 4909 H HH11 . ARG A 1 24 ? -13.446 -5.064 3.694 1.00 0.00 ? 24 ARG A HH11 4 ATOM 4910 H HH12 . ARG A 1 24 ? -14.665 -4.874 4.911 1.00 0.00 ? 24 ARG A HH12 4 ATOM 4911 H HH21 . ARG A 1 24 ? -14.391 -1.391 5.049 1.00 0.00 ? 24 ARG A HH21 4 ATOM 4912 H HH22 . ARG A 1 24 ? -15.202 -2.785 5.680 1.00 0.00 ? 24 ARG A HH22 4 ATOM 4913 N N . LEU A 1 25 ? -7.246 -5.109 0.445 1.00 0.00 ? 25 LEU A N 4 ATOM 4914 C CA . LEU A 1 25 ? -6.611 -6.127 -0.385 1.00 0.00 ? 25 LEU A CA 4 ATOM 4915 C C . LEU A 1 25 ? -5.779 -7.082 0.464 1.00 0.00 ? 25 LEU A C 4 ATOM 4916 O O . LEU A 1 25 ? -5.865 -8.301 0.313 1.00 0.00 ? 25 LEU A O 4 ATOM 4917 C CB . LEU A 1 25 ? -5.728 -5.469 -1.447 1.00 0.00 ? 25 LEU A CB 4 ATOM 4918 C CG . LEU A 1 25 ? -6.462 -4.715 -2.557 1.00 0.00 ? 25 LEU A CG 4 ATOM 4919 C CD1 . LEU A 1 25 ? -5.566 -3.640 -3.153 1.00 0.00 ? 25 LEU A CD1 4 ATOM 4920 C CD2 . LEU A 1 25 ? -6.933 -5.678 -3.636 1.00 0.00 ? 25 LEU A CD2 4 ATOM 4921 H H . LEU A 1 25 ? -6.865 -4.207 0.468 1.00 0.00 ? 25 LEU A H 4 ATOM 4922 H HA . LEU A 1 25 ? -7.392 -6.688 -0.876 1.00 0.00 ? 25 LEU A HA 4 ATOM 4923 H HB2 . LEU A 1 25 ? -5.076 -4.770 -0.948 1.00 0.00 ? 25 LEU A HB2 4 ATOM 4924 H HB3 . LEU A 1 25 ? -5.135 -6.245 -1.910 1.00 0.00 ? 25 LEU A HB3 4 ATOM 4925 H HG . LEU A 1 25 ? -7.332 -4.228 -2.138 1.00 0.00 ? 25 LEU A HG 4 ATOM 4926 H HD11 . LEU A 1 25 ? -4.549 -3.999 -3.192 1.00 0.00 ? 25 LEU A HD11 4 ATOM 4927 H HD12 . LEU A 1 25 ? -5.611 -2.752 -2.539 1.00 0.00 ? 25 LEU A HD12 4 ATOM 4928 H HD13 . LEU A 1 25 ? -5.904 -3.404 -4.152 1.00 0.00 ? 25 LEU A HD13 4 ATOM 4929 H HD21 . LEU A 1 25 ? -6.390 -5.488 -4.550 1.00 0.00 ? 25 LEU A HD21 4 ATOM 4930 H HD22 . LEU A 1 25 ? -7.990 -5.537 -3.809 1.00 0.00 ? 25 LEU A HD22 4 ATOM 4931 H HD23 . LEU A 1 25 ? -6.753 -6.694 -3.315 1.00 0.00 ? 25 LEU A HD23 4 ATOM 4932 N N . LEU A 1 26 ? -4.975 -6.520 1.360 1.00 0.00 ? 26 LEU A N 4 ATOM 4933 C CA . LEU A 1 26 ? -4.128 -7.321 2.237 1.00 0.00 ? 26 LEU A CA 4 ATOM 4934 C C . LEU A 1 26 ? -4.944 -8.393 2.952 1.00 0.00 ? 26 LEU A C 4 ATOM 4935 O O . LEU A 1 26 ? -4.469 -9.507 3.169 1.00 0.00 ? 26 LEU A O 4 ATOM 4936 C CB . LEU A 1 26 ? -3.430 -6.426 3.262 1.00 0.00 ? 26 LEU A CB 4 ATOM 4937 C CG . LEU A 1 26 ? -2.930 -7.120 4.530 1.00 0.00 ? 26 LEU A CG 4 ATOM 4938 C CD1 . LEU A 1 26 ? -1.826 -8.111 4.195 1.00 0.00 ? 26 LEU A CD1 4 ATOM 4939 C CD2 . LEU A 1 26 ? -2.441 -6.095 5.542 1.00 0.00 ? 26 LEU A CD2 4 ATOM 4940 H H . LEU A 1 26 ? -4.949 -5.543 1.435 1.00 0.00 ? 26 LEU A H 4 ATOM 4941 H HA . LEU A 1 26 ? -3.380 -7.804 1.625 1.00 0.00 ? 26 LEU A HA 4 ATOM 4942 H HB2 . LEU A 1 26 ? -2.580 -5.969 2.779 1.00 0.00 ? 26 LEU A HB2 4 ATOM 4943 H HB3 . LEU A 1 26 ? -4.130 -5.657 3.559 1.00 0.00 ? 26 LEU A HB3 4 ATOM 4944 H HG . LEU A 1 26 ? -3.747 -7.670 4.977 1.00 0.00 ? 26 LEU A HG 4 ATOM 4945 H HD11 . LEU A 1 26 ? -0.897 -7.579 4.052 1.00 0.00 ? 26 LEU A HD11 4 ATOM 4946 H HD12 . LEU A 1 26 ? -2.081 -8.642 3.290 1.00 0.00 ? 26 LEU A HD12 4 ATOM 4947 H HD13 . LEU A 1 26 ? -1.716 -8.815 5.007 1.00 0.00 ? 26 LEU A HD13 4 ATOM 4948 H HD21 . LEU A 1 26 ? -1.644 -6.523 6.131 1.00 0.00 ? 26 LEU A HD21 4 ATOM 4949 H HD22 . LEU A 1 26 ? -3.257 -5.814 6.192 1.00 0.00 ? 26 LEU A HD22 4 ATOM 4950 H HD23 . LEU A 1 26 ? -2.077 -5.222 5.023 1.00 0.00 ? 26 LEU A HD23 4 ATOM 4951 N N . ALA A 1 27 ? -6.175 -8.048 3.315 1.00 0.00 ? 27 ALA A N 4 ATOM 4952 C CA . ALA A 1 27 ? -7.059 -8.981 4.001 1.00 0.00 ? 27 ALA A CA 4 ATOM 4953 C C . ALA A 1 27 ? -7.444 -10.144 3.092 1.00 0.00 ? 27 ALA A C 4 ATOM 4954 O O . ALA A 1 27 ? -7.689 -11.255 3.560 1.00 0.00 ? 27 ALA A O 4 ATOM 4955 C CB . ALA A 1 27 ? -8.305 -8.262 4.496 1.00 0.00 ? 27 ALA A CB 4 ATOM 4956 H H . ALA A 1 27 ? -6.497 -7.144 3.114 1.00 0.00 ? 27 ALA A H 4 ATOM 4957 H HA . ALA A 1 27 ? -6.532 -9.369 4.861 1.00 0.00 ? 27 ALA A HA 4 ATOM 4958 H HB1 . ALA A 1 27 ? -8.327 -7.261 4.090 1.00 0.00 ? 27 ALA A HB1 4 ATOM 4959 H HB2 . ALA A 1 27 ? -9.184 -8.800 4.174 1.00 0.00 ? 27 ALA A HB2 4 ATOM 4960 H HB3 . ALA A 1 27 ? -8.288 -8.213 5.575 1.00 0.00 ? 27 ALA A HB3 4 ATOM 4961 N N . ALA A 1 28 ? -7.495 -9.879 1.790 1.00 0.00 ? 28 ALA A N 4 ATOM 4962 C CA . ALA A 1 28 ? -7.848 -10.903 0.816 1.00 0.00 ? 28 ALA A CA 4 ATOM 4963 C C . ALA A 1 28 ? -6.601 -11.570 0.243 1.00 0.00 ? 28 ALA A C 4 ATOM 4964 O O . ALA A 1 28 ? -6.661 -12.237 -0.788 1.00 0.00 ? 28 ALA A O 4 ATOM 4965 C CB . ALA A 1 28 ? -8.687 -10.302 -0.301 1.00 0.00 ? 28 ALA A CB 4 ATOM 4966 H H . ALA A 1 28 ? -7.288 -8.973 1.479 1.00 0.00 ? 28 ALA A H 4 ATOM 4967 H HA . ALA A 1 28 ? -8.444 -11.651 1.319 1.00 0.00 ? 28 ALA A HA 4 ATOM 4968 H HB1 . ALA A 1 28 ? -9.175 -11.094 -0.850 1.00 0.00 ? 28 ALA A HB1 4 ATOM 4969 H HB2 . ALA A 1 28 ? -9.432 -9.645 0.122 1.00 0.00 ? 28 ALA A HB2 4 ATOM 4970 H HB3 . ALA A 1 28 ? -8.050 -9.741 -0.968 1.00 0.00 ? 28 ALA A HB3 4 ATOM 4971 N N . GLY A 1 29 ? -5.472 -11.383 0.920 1.00 0.00 ? 29 GLY A N 4 ATOM 4972 C CA . GLY A 1 29 ? -4.227 -11.971 0.462 1.00 0.00 ? 29 GLY A CA 4 ATOM 4973 C C . GLY A 1 29 ? -3.790 -11.429 -0.884 1.00 0.00 ? 29 GLY A C 4 ATOM 4974 O O . GLY A 1 29 ? -3.012 -12.066 -1.595 1.00 0.00 ? 29 GLY A O 4 ATOM 4975 H H . GLY A 1 29 ? -5.485 -10.841 1.737 1.00 0.00 ? 29 GLY A H 4 ATOM 4976 H HA2 . GLY A 1 29 ? -3.456 -11.766 1.189 1.00 0.00 ? 29 GLY A HA2 4 ATOM 4977 H HA3 . GLY A 1 29 ? -4.356 -13.041 0.382 1.00 0.00 ? 29 GLY A HA3 4 ATOM 4978 N N . LYS A 1 30 ? -4.292 -10.251 -1.237 1.00 0.00 ? 30 LYS A N 4 ATOM 4979 C CA . LYS A 1 30 ? -3.950 -9.623 -2.507 1.00 0.00 ? 30 LYS A CA 4 ATOM 4980 C C . LYS A 1 30 ? -2.749 -8.696 -2.350 1.00 0.00 ? 30 LYS A C 4 ATOM 4981 O O . LYS A 1 30 ? -2.702 -7.618 -2.944 1.00 0.00 ? 30 LYS A O 4 ATOM 4982 C CB . LYS A 1 30 ? -5.146 -8.837 -3.050 1.00 0.00 ? 30 LYS A CB 4 ATOM 4983 C CG . LYS A 1 30 ? -6.292 -9.719 -3.515 1.00 0.00 ? 30 LYS A CG 4 ATOM 4984 C CD . LYS A 1 30 ? -6.098 -10.173 -4.953 1.00 0.00 ? 30 LYS A CD 4 ATOM 4985 C CE . LYS A 1 30 ? -7.430 -10.407 -5.648 1.00 0.00 ? 30 LYS A CE 4 ATOM 4986 N NZ . LYS A 1 30 ? -7.924 -11.798 -5.446 1.00 0.00 ? 30 LYS A NZ 4 ATOM 4987 H H . LYS A 1 30 ? -4.908 -9.792 -0.627 1.00 0.00 ? 30 LYS A H 4 ATOM 4988 H HA . LYS A 1 30 ? -3.696 -10.405 -3.207 1.00 0.00 ? 30 LYS A HA 4 ATOM 4989 H HB2 . LYS A 1 30 ? -5.515 -8.184 -2.273 1.00 0.00 ? 30 LYS A HB2 4 ATOM 4990 H HB3 . LYS A 1 30 ? -4.818 -8.238 -3.887 1.00 0.00 ? 30 LYS A HB3 4 ATOM 4991 H HG2 . LYS A 1 30 ? -6.346 -10.589 -2.879 1.00 0.00 ? 30 LYS A HG2 4 ATOM 4992 H HG3 . LYS A 1 30 ? -7.215 -9.161 -3.445 1.00 0.00 ? 30 LYS A HG3 4 ATOM 4993 H HD2 . LYS A 1 30 ? -5.553 -9.412 -5.491 1.00 0.00 ? 30 LYS A HD2 4 ATOM 4994 H HD3 . LYS A 1 30 ? -5.532 -11.094 -4.957 1.00 0.00 ? 30 LYS A HD3 4 ATOM 4995 H HE2 . LYS A 1 30 ? -8.156 -9.715 -5.249 1.00 0.00 ? 30 LYS A HE2 4 ATOM 4996 H HE3 . LYS A 1 30 ? -7.306 -10.229 -6.706 1.00 0.00 ? 30 LYS A HE3 4 ATOM 4997 H HZ1 . LYS A 1 30 ? -8.017 -12.000 -4.430 1.00 0.00 ? 30 LYS A HZ1 4 ATOM 4998 H HZ2 . LYS A 1 30 ? -7.258 -12.478 -5.863 1.00 0.00 ? 30 LYS A HZ2 4 ATOM 4999 H HZ3 . LYS A 1 30 ? -8.853 -11.916 -5.898 1.00 0.00 ? 30 LYS A HZ3 4 ATOM 5000 N N . TYR A 1 31 ? -1.780 -9.122 -1.548 1.00 0.00 ? 31 TYR A N 4 ATOM 5001 C CA . TYR A 1 31 ? -0.579 -8.329 -1.312 1.00 0.00 ? 31 TYR A CA 4 ATOM 5002 C C . TYR A 1 31 ? -0.164 -7.579 -2.574 1.00 0.00 ? 31 TYR A C 4 ATOM 5003 O O . TYR A 1 31 ? -0.144 -6.349 -2.599 1.00 0.00 ? 31 TYR A O 4 ATOM 5004 C CB . TYR A 1 31 ? 0.566 -9.227 -0.839 1.00 0.00 ? 31 TYR A CB 4 ATOM 5005 C CG . TYR A 1 31 ? 0.240 -10.019 0.407 1.00 0.00 ? 31 TYR A CG 4 ATOM 5006 C CD1 . TYR A 1 31 ? 0.489 -9.497 1.670 1.00 0.00 ? 31 TYR A CD1 4 ATOM 5007 C CD2 . TYR A 1 31 ? -0.316 -11.289 0.321 1.00 0.00 ? 31 TYR A CD2 4 ATOM 5008 C CE1 . TYR A 1 31 ? 0.193 -10.217 2.812 1.00 0.00 ? 31 TYR A CE1 4 ATOM 5009 C CE2 . TYR A 1 31 ? -0.616 -12.016 1.457 1.00 0.00 ? 31 TYR A CE2 4 ATOM 5010 C CZ . TYR A 1 31 ? -0.359 -11.475 2.700 1.00 0.00 ? 31 TYR A CZ 4 ATOM 5011 O OH . TYR A 1 31 ? -0.656 -12.196 3.834 1.00 0.00 ? 31 TYR A OH 4 ATOM 5012 H H . TYR A 1 31 ? -1.874 -9.989 -1.102 1.00 0.00 ? 31 TYR A H 4 ATOM 5013 H HA . TYR A 1 31 ? -0.803 -7.611 -0.537 1.00 0.00 ? 31 TYR A HA 4 ATOM 5014 H HB2 . TYR A 1 31 ? 0.811 -9.928 -1.622 1.00 0.00 ? 31 TYR A HB2 4 ATOM 5015 H HB3 . TYR A 1 31 ? 1.430 -8.615 -0.627 1.00 0.00 ? 31 TYR A HB3 4 ATOM 5016 H HD1 . TYR A 1 31 ? 0.922 -8.510 1.754 1.00 0.00 ? 31 TYR A HD1 4 ATOM 5017 H HD2 . TYR A 1 31 ? -0.515 -11.710 -0.654 1.00 0.00 ? 31 TYR A HD2 4 ATOM 5018 H HE1 . TYR A 1 31 ? 0.394 -9.794 3.785 1.00 0.00 ? 31 TYR A HE1 4 ATOM 5019 H HE2 . TYR A 1 31 ? -1.048 -13.002 1.370 1.00 0.00 ? 31 TYR A HE2 4 ATOM 5020 H HH . TYR A 1 31 ? -0.368 -13.105 3.719 1.00 0.00 ? 31 TYR A HH 4 ATOM 5021 N N . GLU A 1 32 ? 0.165 -8.331 -3.620 1.00 0.00 ? 32 GLU A N 4 ATOM 5022 C CA . GLU A 1 32 ? 0.579 -7.737 -4.886 1.00 0.00 ? 32 GLU A CA 4 ATOM 5023 C C . GLU A 1 32 ? -0.261 -6.506 -5.210 1.00 0.00 ? 32 GLU A C 4 ATOM 5024 O O . GLU A 1 32 ? 0.271 -5.418 -5.425 1.00 0.00 ? 32 GLU A O 4 ATOM 5025 C CB . GLU A 1 32 ? 0.462 -8.761 -6.017 1.00 0.00 ? 32 GLU A CB 4 ATOM 5026 C CG . GLU A 1 32 ? 1.202 -8.358 -7.281 1.00 0.00 ? 32 GLU A CG 4 ATOM 5027 C CD . GLU A 1 32 ? 0.665 -7.076 -7.887 1.00 0.00 ? 32 GLU A CD 4 ATOM 5028 O OE1 . GLU A 1 32 ? -0.572 -6.935 -7.980 1.00 0.00 ? 32 GLU A OE1 4 ATOM 5029 O OE2 . GLU A 1 32 ? 1.484 -6.213 -8.268 1.00 0.00 ? 32 GLU A OE2 4 ATOM 5030 H H . GLU A 1 32 ? 0.129 -9.306 -3.538 1.00 0.00 ? 32 GLU A H 4 ATOM 5031 H HA . GLU A 1 32 ? 1.612 -7.438 -4.789 1.00 0.00 ? 32 GLU A HA 4 ATOM 5032 H HB2 . GLU A 1 32 ? 0.862 -9.705 -5.675 1.00 0.00 ? 32 GLU A HB2 4 ATOM 5033 H HB3 . GLU A 1 32 ? -0.582 -8.891 -6.261 1.00 0.00 ? 32 GLU A HB3 4 ATOM 5034 H HG2 . GLU A 1 32 ? 2.245 -8.217 -7.043 1.00 0.00 ? 32 GLU A HG2 4 ATOM 5035 H HG3 . GLU A 1 32 ? 1.104 -9.151 -8.008 1.00 0.00 ? 32 GLU A HG3 4 ATOM 5036 N N . GLU A 1 33 ? -1.578 -6.688 -5.245 1.00 0.00 ? 33 GLU A N 4 ATOM 5037 C CA . GLU A 1 33 ? -2.492 -5.592 -5.544 1.00 0.00 ? 33 GLU A CA 4 ATOM 5038 C C . GLU A 1 33 ? -2.130 -4.346 -4.741 1.00 0.00 ? 33 GLU A C 4 ATOM 5039 O O . GLU A 1 33 ? -2.006 -3.253 -5.293 1.00 0.00 ? 33 GLU A O 4 ATOM 5040 C CB . GLU A 1 33 ? -3.934 -6.005 -5.244 1.00 0.00 ? 33 GLU A CB 4 ATOM 5041 C CG . GLU A 1 33 ? -4.450 -7.114 -6.144 1.00 0.00 ? 33 GLU A CG 4 ATOM 5042 C CD . GLU A 1 33 ? -4.562 -6.685 -7.594 1.00 0.00 ? 33 GLU A CD 4 ATOM 5043 O OE1 . GLU A 1 33 ? -3.512 -6.550 -8.256 1.00 0.00 ? 33 GLU A OE1 4 ATOM 5044 O OE2 . GLU A 1 33 ? -5.701 -6.485 -8.066 1.00 0.00 ? 33 GLU A OE2 4 ATOM 5045 H H . GLU A 1 33 ? -1.943 -7.579 -5.064 1.00 0.00 ? 33 GLU A H 4 ATOM 5046 H HA . GLU A 1 33 ? -2.404 -5.365 -6.596 1.00 0.00 ? 33 GLU A HA 4 ATOM 5047 H HB2 . GLU A 1 33 ? -3.993 -6.343 -4.219 1.00 0.00 ? 33 GLU A HB2 4 ATOM 5048 H HB3 . GLU A 1 33 ? -4.575 -5.144 -5.366 1.00 0.00 ? 33 GLU A HB3 4 ATOM 5049 H HG2 . GLU A 1 33 ? -3.773 -7.953 -6.084 1.00 0.00 ? 33 GLU A HG2 4 ATOM 5050 H HG3 . GLU A 1 33 ? -5.427 -7.417 -5.797 1.00 0.00 ? 33 GLU A HG3 4 ATOM 5051 N N . ALA A 1 34 ? -1.962 -4.520 -3.435 1.00 0.00 ? 34 ALA A N 4 ATOM 5052 C CA . ALA A 1 34 ? -1.613 -3.411 -2.555 1.00 0.00 ? 34 ALA A CA 4 ATOM 5053 C C . ALA A 1 34 ? -0.247 -2.835 -2.913 1.00 0.00 ? 34 ALA A C 4 ATOM 5054 O O . ALA A 1 34 ? -0.070 -1.617 -2.965 1.00 0.00 ? 34 ALA A O 4 ATOM 5055 C CB . ALA A 1 34 ? -1.633 -3.863 -1.102 1.00 0.00 ? 34 ALA A CB 4 ATOM 5056 H H . ALA A 1 34 ? -2.074 -5.415 -3.053 1.00 0.00 ? 34 ALA A H 4 ATOM 5057 H HA . ALA A 1 34 ? -2.360 -2.640 -2.677 1.00 0.00 ? 34 ALA A HA 4 ATOM 5058 H HB1 . ALA A 1 34 ? -2.114 -4.828 -1.033 1.00 0.00 ? 34 ALA A HB1 4 ATOM 5059 H HB2 . ALA A 1 34 ? -0.620 -3.938 -0.735 1.00 0.00 ? 34 ALA A HB2 4 ATOM 5060 H HB3 . ALA A 1 34 ? -2.178 -3.144 -0.510 1.00 0.00 ? 34 ALA A HB3 4 ATOM 5061 N N . ILE A 1 35 ? 0.716 -3.717 -3.159 1.00 0.00 ? 35 ILE A N 4 ATOM 5062 C CA . ILE A 1 35 ? 2.065 -3.296 -3.513 1.00 0.00 ? 35 ILE A CA 4 ATOM 5063 C C . ILE A 1 35 ? 2.038 -2.133 -4.500 1.00 0.00 ? 35 ILE A C 4 ATOM 5064 O O . ILE A 1 35 ? 2.616 -1.076 -4.246 1.00 0.00 ? 35 ILE A O 4 ATOM 5065 C CB . ILE A 1 35 ? 2.875 -4.454 -4.125 1.00 0.00 ? 35 ILE A CB 4 ATOM 5066 C CG1 . ILE A 1 35 ? 3.000 -5.603 -3.123 1.00 0.00 ? 35 ILE A CG1 4 ATOM 5067 C CG2 . ILE A 1 35 ? 4.251 -3.969 -4.557 1.00 0.00 ? 35 ILE A CG2 4 ATOM 5068 C CD1 . ILE A 1 35 ? 3.682 -6.828 -3.690 1.00 0.00 ? 35 ILE A CD1 4 ATOM 5069 H H . ILE A 1 35 ? 0.513 -4.674 -3.103 1.00 0.00 ? 35 ILE A H 4 ATOM 5070 H HA . ILE A 1 35 ? 2.562 -2.975 -2.609 1.00 0.00 ? 35 ILE A HA 4 ATOM 5071 H HB . ILE A 1 35 ? 2.352 -4.805 -5.002 1.00 0.00 ? 35 ILE A HB 4 ATOM 5072 H HG12 . ILE A 1 35 ? 3.572 -5.270 -2.272 1.00 0.00 ? 35 ILE A HG12 4 ATOM 5073 H HG13 . ILE A 1 35 ? 2.012 -5.894 -2.796 1.00 0.00 ? 35 ILE A HG13 4 ATOM 5074 H HG21 . ILE A 1 35 ? 4.270 -2.889 -4.551 1.00 0.00 ? 35 ILE A HG21 4 ATOM 5075 H HG22 . ILE A 1 35 ? 4.996 -4.345 -3.873 1.00 0.00 ? 35 ILE A HG22 4 ATOM 5076 H HG23 . ILE A 1 35 ? 4.463 -4.327 -5.553 1.00 0.00 ? 35 ILE A HG23 4 ATOM 5077 H HD11 . ILE A 1 35 ? 4.694 -6.884 -3.315 1.00 0.00 ? 35 ILE A HD11 4 ATOM 5078 H HD12 . ILE A 1 35 ? 3.139 -7.713 -3.395 1.00 0.00 ? 35 ILE A HD12 4 ATOM 5079 H HD13 . ILE A 1 35 ? 3.703 -6.762 -4.769 1.00 0.00 ? 35 ILE A HD13 4 ATOM 5080 N N . SER A 1 36 ? 1.359 -2.335 -5.625 1.00 0.00 ? 36 SER A N 4 ATOM 5081 C CA . SER A 1 36 ? 1.257 -1.304 -6.651 1.00 0.00 ? 36 SER A CA 4 ATOM 5082 C C . SER A 1 36 ? 0.427 -0.123 -6.154 1.00 0.00 ? 36 SER A C 4 ATOM 5083 O O . SER A 1 36 ? 0.832 1.032 -6.286 1.00 0.00 ? 36 SER A O 4 ATOM 5084 C CB . SER A 1 36 ? 0.632 -1.881 -7.923 1.00 0.00 ? 36 SER A CB 4 ATOM 5085 O OG . SER A 1 36 ? -0.589 -2.541 -7.638 1.00 0.00 ? 36 SER A OG 4 ATOM 5086 H H . SER A 1 36 ? 0.919 -3.199 -5.769 1.00 0.00 ? 36 SER A H 4 ATOM 5087 H HA . SER A 1 36 ? 2.255 -0.959 -6.875 1.00 0.00 ? 36 SER A HA 4 ATOM 5088 H HB2 . SER A 1 36 ? 0.441 -1.081 -8.622 1.00 0.00 ? 36 SER A HB2 4 ATOM 5089 H HB3 . SER A 1 36 ? 1.316 -2.590 -8.366 1.00 0.00 ? 36 SER A HB3 4 ATOM 5090 H HG . SER A 1 36 ? -1.324 -1.987 -7.912 1.00 0.00 ? 36 SER A HG 4 ATOM 5091 N N . CYS A 1 37 ? -0.734 -0.423 -5.583 1.00 0.00 ? 37 CYS A N 4 ATOM 5092 C CA . CYS A 1 37 ? -1.622 0.612 -5.067 1.00 0.00 ? 37 CYS A CA 4 ATOM 5093 C C . CYS A 1 37 ? -0.824 1.740 -4.419 1.00 0.00 ? 37 CYS A C 4 ATOM 5094 O O . CYS A 1 37 ? -1.068 2.918 -4.682 1.00 0.00 ? 37 CYS A O 4 ATOM 5095 C CB . CYS A 1 37 ? -2.600 0.016 -4.054 1.00 0.00 ? 37 CYS A CB 4 ATOM 5096 S SG . CYS A 1 37 ? -3.782 -1.151 -4.768 1.00 0.00 ? 37 CYS A SG 4 ATOM 5097 H H . CYS A 1 37 ? -1.002 -1.363 -5.507 1.00 0.00 ? 37 CYS A H 4 ATOM 5098 H HA . CYS A 1 37 ? -2.180 1.015 -5.899 1.00 0.00 ? 37 CYS A HA 4 ATOM 5099 H HB2 . CYS A 1 37 ? -2.042 -0.508 -3.291 1.00 0.00 ? 37 CYS A HB2 4 ATOM 5100 H HB3 . CYS A 1 37 ? -3.162 0.815 -3.594 1.00 0.00 ? 37 CYS A HB3 4 ATOM 5101 H HG . CYS A 1 37 ? -4.799 -0.456 -5.255 1.00 0.00 ? 37 CYS A HG 4 ATOM 5102 N N . HIS A 1 38 ? 0.130 1.370 -3.570 1.00 0.00 ? 38 HIS A N 4 ATOM 5103 C CA . HIS A 1 38 ? 0.963 2.351 -2.884 1.00 0.00 ? 38 HIS A CA 4 ATOM 5104 C C . HIS A 1 38 ? 1.837 3.111 -3.876 1.00 0.00 ? 38 HIS A C 4 ATOM 5105 O O . HIS A 1 38 ? 1.904 4.340 -3.845 1.00 0.00 ? 38 HIS A O 4 ATOM 5106 C CB . HIS A 1 38 ? 1.840 1.662 -1.837 1.00 0.00 ? 38 HIS A CB 4 ATOM 5107 C CG . HIS A 1 38 ? 1.077 1.171 -0.646 1.00 0.00 ? 38 HIS A CG 4 ATOM 5108 N ND1 . HIS A 1 38 ? 0.336 2.002 0.168 1.00 0.00 ? 38 HIS A ND1 4 ATOM 5109 C CD2 . HIS A 1 38 ? 0.941 -0.075 -0.133 1.00 0.00 ? 38 HIS A CD2 4 ATOM 5110 C CE1 . HIS A 1 38 ? -0.221 1.289 1.131 1.00 0.00 ? 38 HIS A CE1 4 ATOM 5111 N NE2 . HIS A 1 38 ? 0.130 0.025 0.970 1.00 0.00 ? 38 HIS A NE2 4 ATOM 5112 H H . HIS A 1 38 ? 0.276 0.416 -3.402 1.00 0.00 ? 38 HIS A H 4 ATOM 5113 H HA . HIS A 1 38 ? 0.310 3.052 -2.388 1.00 0.00 ? 38 HIS A HA 4 ATOM 5114 H HB2 . HIS A 1 38 ? 2.330 0.813 -2.290 1.00 0.00 ? 38 HIS A HB2 4 ATOM 5115 H HB3 . HIS A 1 38 ? 2.588 2.359 -1.489 1.00 0.00 ? 38 HIS A HB3 4 ATOM 5116 H HD1 . HIS A 1 38 ? 0.235 2.970 0.058 1.00 0.00 ? 38 HIS A HD1 4 ATOM 5117 H HD2 . HIS A 1 38 ? 1.388 -0.980 -0.520 1.00 0.00 ? 38 HIS A HD2 4 ATOM 5118 H HE1 . HIS A 1 38 ? -0.856 1.672 1.915 1.00 0.00 ? 38 HIS A HE1 4 ATOM 5119 H HE2 . HIS A 1 38 ? -0.075 -0.701 1.595 1.00 0.00 ? 38 HIS A HE2 4 ATOM 5120 N N . ARG A 1 39 ? 2.506 2.372 -4.755 1.00 0.00 ? 39 ARG A N 4 ATOM 5121 C CA . ARG A 1 39 ? 3.378 2.977 -5.756 1.00 0.00 ? 39 ARG A CA 4 ATOM 5122 C C . ARG A 1 39 ? 2.692 4.163 -6.428 1.00 0.00 ? 39 ARG A C 4 ATOM 5123 O O . ARG A 1 39 ? 3.329 5.172 -6.732 1.00 0.00 ? 39 ARG A O 4 ATOM 5124 C CB . ARG A 1 39 ? 3.777 1.941 -6.808 1.00 0.00 ? 39 ARG A CB 4 ATOM 5125 C CG . ARG A 1 39 ? 4.486 0.727 -6.229 1.00 0.00 ? 39 ARG A CG 4 ATOM 5126 C CD . ARG A 1 39 ? 5.368 0.049 -7.267 1.00 0.00 ? 39 ARG A CD 4 ATOM 5127 N NE . ARG A 1 39 ? 4.584 -0.694 -8.249 1.00 0.00 ? 39 ARG A NE 4 ATOM 5128 C CZ . ARG A 1 39 ? 5.112 -1.555 -9.112 1.00 0.00 ? 39 ARG A CZ 4 ATOM 5129 N NH1 . ARG A 1 39 ? 6.419 -1.780 -9.112 1.00 0.00 ? 39 ARG A NH1 4 ATOM 5130 N NH2 . ARG A 1 39 ? 4.333 -2.194 -9.976 1.00 0.00 ? 39 ARG A NH2 4 ATOM 5131 H H . ARG A 1 39 ? 2.412 1.397 -4.730 1.00 0.00 ? 39 ARG A H 4 ATOM 5132 H HA . ARG A 1 39 ? 4.267 3.327 -5.253 1.00 0.00 ? 39 ARG A HA 4 ATOM 5133 H HB2 . ARG A 1 39 ? 2.888 1.601 -7.318 1.00 0.00 ? 39 ARG A HB2 4 ATOM 5134 H HB3 . ARG A 1 39 ? 4.437 2.408 -7.523 1.00 0.00 ? 39 ARG A HB3 4 ATOM 5135 H HG2 . ARG A 1 39 ? 5.103 1.043 -5.401 1.00 0.00 ? 39 ARG A HG2 4 ATOM 5136 H HG3 . ARG A 1 39 ? 3.746 0.022 -5.882 1.00 0.00 ? 39 ARG A HG3 4 ATOM 5137 H HD2 . ARG A 1 39 ? 5.944 0.805 -7.779 1.00 0.00 ? 39 ARG A HD2 4 ATOM 5138 H HD3 . ARG A 1 39 ? 6.035 -0.632 -6.762 1.00 0.00 ? 39 ARG A HD3 4 ATOM 5139 H HE . ARG A 1 39 ? 3.616 -0.543 -8.266 1.00 0.00 ? 39 ARG A HE 4 ATOM 5140 H HH11 . ARG A 1 39 ? 7.008 -1.301 -8.462 1.00 0.00 ? 39 ARG A HH11 4 ATOM 5141 H HH12 . ARG A 1 39 ? 6.814 -2.430 -9.762 1.00 0.00 ? 39 ARG A HH12 4 ATOM 5142 H HH21 . ARG A 1 39 ? 3.348 -2.027 -9.978 1.00 0.00 ? 39 ARG A HH21 4 ATOM 5143 H HH22 . ARG A 1 39 ? 4.732 -2.841 -10.624 1.00 0.00 ? 39 ARG A HH22 4 ATOM 5144 N N . LYS A 1 40 ? 1.390 4.034 -6.659 1.00 0.00 ? 40 LYS A N 4 ATOM 5145 C CA . LYS A 1 40 ? 0.617 5.093 -7.295 1.00 0.00 ? 40 LYS A CA 4 ATOM 5146 C C . LYS A 1 40 ? 0.526 6.318 -6.391 1.00 0.00 ? 40 LYS A C 4 ATOM 5147 O O . LYS A 1 40 ? 0.889 7.424 -6.789 1.00 0.00 ? 40 LYS A O 4 ATOM 5148 C CB . LYS A 1 40 ? -0.788 4.593 -7.637 1.00 0.00 ? 40 LYS A CB 4 ATOM 5149 C CG . LYS A 1 40 ? -0.824 3.644 -8.823 1.00 0.00 ? 40 LYS A CG 4 ATOM 5150 C CD . LYS A 1 40 ? -2.000 2.685 -8.734 1.00 0.00 ? 40 LYS A CD 4 ATOM 5151 C CE . LYS A 1 40 ? -2.032 1.732 -9.919 1.00 0.00 ? 40 LYS A CE 4 ATOM 5152 N NZ . LYS A 1 40 ? -2.422 2.426 -11.178 1.00 0.00 ? 40 LYS A NZ 4 ATOM 5153 H H . LYS A 1 40 ? 0.938 3.205 -6.395 1.00 0.00 ? 40 LYS A H 4 ATOM 5154 H HA . LYS A 1 40 ? 1.123 5.371 -8.208 1.00 0.00 ? 40 LYS A HA 4 ATOM 5155 H HB2 . LYS A 1 40 ? -1.193 4.078 -6.778 1.00 0.00 ? 40 LYS A HB2 4 ATOM 5156 H HB3 . LYS A 1 40 ? -1.415 5.443 -7.864 1.00 0.00 ? 40 LYS A HB3 4 ATOM 5157 H HG2 . LYS A 1 40 ? -0.912 4.221 -9.731 1.00 0.00 ? 40 LYS A HG2 4 ATOM 5158 H HG3 . LYS A 1 40 ? 0.094 3.074 -8.843 1.00 0.00 ? 40 LYS A HG3 4 ATOM 5159 H HD2 . LYS A 1 40 ? -1.915 2.108 -7.825 1.00 0.00 ? 40 LYS A HD2 4 ATOM 5160 H HD3 . LYS A 1 40 ? -2.918 3.255 -8.716 1.00 0.00 ? 40 LYS A HD3 4 ATOM 5161 H HE2 . LYS A 1 40 ? -1.051 1.301 -10.045 1.00 0.00 ? 40 LYS A HE2 4 ATOM 5162 H HE3 . LYS A 1 40 ? -2.746 0.948 -9.714 1.00 0.00 ? 40 LYS A HE3 4 ATOM 5163 H HZ1 . LYS A 1 40 ? -2.222 3.444 -11.101 1.00 0.00 ? 40 LYS A HZ1 4 ATOM 5164 H HZ2 . LYS A 1 40 ? -3.438 2.296 -11.358 1.00 0.00 ? 40 LYS A HZ2 4 ATOM 5165 H HZ3 . LYS A 1 40 ? -1.886 2.038 -11.980 1.00 0.00 ? 40 LYS A HZ3 4 ATOM 5166 N N . ALA A 1 41 ? 0.040 6.112 -5.171 1.00 0.00 ? 41 ALA A N 4 ATOM 5167 C CA . ALA A 1 41 ? -0.096 7.199 -4.209 1.00 0.00 ? 41 ALA A CA 4 ATOM 5168 C C . ALA A 1 41 ? 1.220 7.953 -4.044 1.00 0.00 ? 41 ALA A C 4 ATOM 5169 O O . ALA A 1 41 ? 1.297 9.154 -4.308 1.00 0.00 ? 41 ALA A O 4 ATOM 5170 C CB . ALA A 1 41 ? -0.569 6.660 -2.867 1.00 0.00 ? 41 ALA A CB 4 ATOM 5171 H H . ALA A 1 41 ? -0.233 5.208 -4.912 1.00 0.00 ? 41 ALA A H 4 ATOM 5172 H HA . ALA A 1 41 ? -0.846 7.882 -4.580 1.00 0.00 ? 41 ALA A HA 4 ATOM 5173 H HB1 . ALA A 1 41 ? 0.174 5.984 -2.469 1.00 0.00 ? 41 ALA A HB1 4 ATOM 5174 H HB2 . ALA A 1 41 ? -0.714 7.481 -2.181 1.00 0.00 ? 41 ALA A HB2 4 ATOM 5175 H HB3 . ALA A 1 41 ? -1.502 6.133 -3.000 1.00 0.00 ? 41 ALA A HB3 4 ATOM 5176 N N . THR A 1 42 ? 2.254 7.242 -3.606 1.00 0.00 ? 42 THR A N 4 ATOM 5177 C CA . THR A 1 42 ? 3.565 7.844 -3.404 1.00 0.00 ? 42 THR A CA 4 ATOM 5178 C C . THR A 1 42 ? 3.875 8.865 -4.493 1.00 0.00 ? 42 THR A C 4 ATOM 5179 O O . THR A 1 42 ? 4.150 10.030 -4.207 1.00 0.00 ? 42 THR A O 4 ATOM 5180 C CB . THR A 1 42 ? 4.676 6.778 -3.385 1.00 0.00 ? 42 THR A CB 4 ATOM 5181 O OG1 . THR A 1 42 ? 4.442 5.807 -4.412 1.00 0.00 ? 42 THR A OG1 4 ATOM 5182 C CG2 . THR A 1 42 ? 4.740 6.086 -2.032 1.00 0.00 ? 42 THR A CG2 4 ATOM 5183 H H . THR A 1 42 ? 2.130 6.289 -3.414 1.00 0.00 ? 42 THR A H 4 ATOM 5184 H HA . THR A 1 42 ? 3.559 8.344 -2.447 1.00 0.00 ? 42 THR A HA 4 ATOM 5185 H HB . THR A 1 42 ? 5.624 7.263 -3.569 1.00 0.00 ? 42 THR A HB 4 ATOM 5186 H HG1 . THR A 1 42 ? 5.071 5.088 -4.322 1.00 0.00 ? 42 THR A HG1 4 ATOM 5187 H HG21 . THR A 1 42 ? 5.770 5.885 -1.778 1.00 0.00 ? 42 THR A HG21 4 ATOM 5188 H HG22 . THR A 1 42 ? 4.191 5.157 -2.076 1.00 0.00 ? 42 THR A HG22 4 ATOM 5189 H HG23 . THR A 1 42 ? 4.303 6.727 -1.280 1.00 0.00 ? 42 THR A HG23 4 ATOM 5190 N N . THR A 1 43 ? 3.828 8.420 -5.746 1.00 0.00 ? 43 THR A N 4 ATOM 5191 C CA . THR A 1 43 ? 4.104 9.295 -6.878 1.00 0.00 ? 43 THR A CA 4 ATOM 5192 C C . THR A 1 43 ? 3.338 10.608 -6.758 1.00 0.00 ? 43 THR A C 4 ATOM 5193 O O . THR A 1 43 ? 3.930 11.687 -6.781 1.00 0.00 ? 43 THR A O 4 ATOM 5194 C CB . THR A 1 43 ? 3.736 8.619 -8.213 1.00 0.00 ? 43 THR A CB 4 ATOM 5195 O OG1 . THR A 1 43 ? 4.402 7.356 -8.322 1.00 0.00 ? 43 THR A OG1 4 ATOM 5196 C CG2 . THR A 1 43 ? 4.117 9.504 -9.390 1.00 0.00 ? 43 THR A CG2 4 ATOM 5197 H H . THR A 1 43 ? 3.603 7.481 -5.910 1.00 0.00 ? 43 THR A H 4 ATOM 5198 H HA . THR A 1 43 ? 5.163 9.506 -6.886 1.00 0.00 ? 43 THR A HA 4 ATOM 5199 H HB . THR A 1 43 ? 2.668 8.457 -8.234 1.00 0.00 ? 43 THR A HB 4 ATOM 5200 H HG1 . THR A 1 43 ? 3.757 6.668 -8.502 1.00 0.00 ? 43 THR A HG1 4 ATOM 5201 H HG21 . THR A 1 43 ? 4.119 10.537 -9.078 1.00 0.00 ? 43 THR A HG21 4 ATOM 5202 H HG22 . THR A 1 43 ? 3.402 9.369 -10.188 1.00 0.00 ? 43 THR A HG22 4 ATOM 5203 H HG23 . THR A 1 43 ? 5.102 9.232 -9.740 1.00 0.00 ? 43 THR A HG23 4 ATOM 5204 N N . TYR A 1 44 ? 2.020 10.508 -6.630 1.00 0.00 ? 44 TYR A N 4 ATOM 5205 C CA . TYR A 1 44 ? 1.173 11.689 -6.508 1.00 0.00 ? 44 TYR A CA 4 ATOM 5206 C C . TYR A 1 44 ? 1.699 12.627 -5.426 1.00 0.00 ? 44 TYR A C 4 ATOM 5207 O O . TYR A 1 44 ? 1.840 13.831 -5.646 1.00 0.00 ? 44 TYR A O 4 ATOM 5208 C CB . TYR A 1 44 ? -0.266 11.280 -6.189 1.00 0.00 ? 44 TYR A CB 4 ATOM 5209 C CG . TYR A 1 44 ? -1.205 12.452 -6.017 1.00 0.00 ? 44 TYR A CG 4 ATOM 5210 C CD1 . TYR A 1 44 ? -1.128 13.557 -6.856 1.00 0.00 ? 44 TYR A CD1 4 ATOM 5211 C CD2 . TYR A 1 44 ? -2.169 12.455 -5.017 1.00 0.00 ? 44 TYR A CD2 4 ATOM 5212 C CE1 . TYR A 1 44 ? -1.984 14.631 -6.703 1.00 0.00 ? 44 TYR A CE1 4 ATOM 5213 C CE2 . TYR A 1 44 ? -3.029 13.524 -4.857 1.00 0.00 ? 44 TYR A CE2 4 ATOM 5214 C CZ . TYR A 1 44 ? -2.933 14.609 -5.702 1.00 0.00 ? 44 TYR A CZ 4 ATOM 5215 O OH . TYR A 1 44 ? -3.788 15.676 -5.546 1.00 0.00 ? 44 TYR A OH 4 ATOM 5216 H H . TYR A 1 44 ? 1.606 9.620 -6.618 1.00 0.00 ? 44 TYR A H 4 ATOM 5217 H HA . TYR A 1 44 ? 1.187 12.207 -7.456 1.00 0.00 ? 44 TYR A HA 4 ATOM 5218 H HB2 . TYR A 1 44 ? -0.645 10.666 -6.992 1.00 0.00 ? 44 TYR A HB2 4 ATOM 5219 H HB3 . TYR A 1 44 ? -0.275 10.709 -5.271 1.00 0.00 ? 44 TYR A HB3 4 ATOM 5220 H HD1 . TYR A 1 44 ? -0.384 13.571 -7.639 1.00 0.00 ? 44 TYR A HD1 4 ATOM 5221 H HD2 . TYR A 1 44 ? -2.241 11.603 -4.356 1.00 0.00 ? 44 TYR A HD2 4 ATOM 5222 H HE1 . TYR A 1 44 ? -1.909 15.481 -7.365 1.00 0.00 ? 44 TYR A HE1 4 ATOM 5223 H HE2 . TYR A 1 44 ? -3.772 13.507 -4.073 1.00 0.00 ? 44 TYR A HE2 4 ATOM 5224 H HH . TYR A 1 44 ? -3.460 16.425 -6.050 1.00 0.00 ? 44 TYR A HH 4 ATOM 5225 N N . LEU A 1 45 ? 1.988 12.068 -4.257 1.00 0.00 ? 45 LEU A N 4 ATOM 5226 C CA . LEU A 1 45 ? 2.499 12.853 -3.138 1.00 0.00 ? 45 LEU A CA 4 ATOM 5227 C C . LEU A 1 45 ? 3.730 13.652 -3.552 1.00 0.00 ? 45 LEU A C 4 ATOM 5228 O O . LEU A 1 45 ? 3.853 14.834 -3.231 1.00 0.00 ? 45 LEU A O 4 ATOM 5229 C CB . LEU A 1 45 ? 2.842 11.937 -1.962 1.00 0.00 ? 45 LEU A CB 4 ATOM 5230 C CG . LEU A 1 45 ? 1.660 11.242 -1.285 1.00 0.00 ? 45 LEU A CG 4 ATOM 5231 C CD1 . LEU A 1 45 ? 2.150 10.152 -0.344 1.00 0.00 ? 45 LEU A CD1 4 ATOM 5232 C CD2 . LEU A 1 45 ? 0.806 12.253 -0.534 1.00 0.00 ? 45 LEU A CD2 4 ATOM 5233 H H . LEU A 1 45 ? 1.854 11.104 -4.141 1.00 0.00 ? 45 LEU A H 4 ATOM 5234 H HA . LEU A 1 45 ? 1.724 13.540 -2.835 1.00 0.00 ? 45 LEU A HA 4 ATOM 5235 H HB2 . LEU A 1 45 ? 3.513 11.173 -2.323 1.00 0.00 ? 45 LEU A HB2 4 ATOM 5236 H HB3 . LEU A 1 45 ? 3.348 12.534 -1.216 1.00 0.00 ? 45 LEU A HB3 4 ATOM 5237 H HG . LEU A 1 45 ? 1.043 10.777 -2.042 1.00 0.00 ? 45 LEU A HG 4 ATOM 5238 H HD11 . LEU A 1 45 ? 1.463 9.319 -0.371 1.00 0.00 ? 45 LEU A HD11 4 ATOM 5239 H HD12 . LEU A 1 45 ? 2.204 10.542 0.661 1.00 0.00 ? 45 LEU A HD12 4 ATOM 5240 H HD13 . LEU A 1 45 ? 3.130 9.821 -0.656 1.00 0.00 ? 45 LEU A HD13 4 ATOM 5241 H HD21 . LEU A 1 45 ? 1.017 13.246 -0.902 1.00 0.00 ? 45 LEU A HD21 4 ATOM 5242 H HD22 . LEU A 1 45 ? 1.033 12.204 0.521 1.00 0.00 ? 45 LEU A HD22 4 ATOM 5243 H HD23 . LEU A 1 45 ? -0.239 12.027 -0.689 1.00 0.00 ? 45 LEU A HD23 4 ATOM 5244 N N . SER A 1 46 ? 4.640 12.999 -4.269 1.00 0.00 ? 46 SER A N 4 ATOM 5245 C CA . SER A 1 46 ? 5.863 13.648 -4.725 1.00 0.00 ? 46 SER A CA 4 ATOM 5246 C C . SER A 1 46 ? 5.548 14.770 -5.709 1.00 0.00 ? 46 SER A C 4 ATOM 5247 O O . SER A 1 46 ? 6.241 15.786 -5.751 1.00 0.00 ? 46 SER A O 4 ATOM 5248 C CB . SER A 1 46 ? 6.794 12.626 -5.381 1.00 0.00 ? 46 SER A CB 4 ATOM 5249 O OG . SER A 1 46 ? 7.073 11.551 -4.500 1.00 0.00 ? 46 SER A OG 4 ATOM 5250 H H . SER A 1 46 ? 4.485 12.057 -4.493 1.00 0.00 ? 46 SER A H 4 ATOM 5251 H HA . SER A 1 46 ? 6.357 14.070 -3.862 1.00 0.00 ? 46 SER A HA 4 ATOM 5252 H HB2 . SER A 1 46 ? 6.324 12.234 -6.270 1.00 0.00 ? 46 SER A HB2 4 ATOM 5253 H HB3 . SER A 1 46 ? 7.723 13.108 -5.648 1.00 0.00 ? 46 SER A HB3 4 ATOM 5254 H HG . SER A 1 46 ? 6.344 11.444 -3.885 1.00 0.00 ? 46 SER A HG 4 ATOM 5255 N N . GLU A 1 47 ? 4.496 14.578 -6.500 1.00 0.00 ? 47 GLU A N 4 ATOM 5256 C CA . GLU A 1 47 ? 4.089 15.573 -7.484 1.00 0.00 ? 47 GLU A CA 4 ATOM 5257 C C . GLU A 1 47 ? 3.582 16.840 -6.800 1.00 0.00 ? 47 GLU A C 4 ATOM 5258 O O . GLU A 1 47 ? 3.680 17.936 -7.350 1.00 0.00 ? 47 GLU A O 4 ATOM 5259 C CB . GLU A 1 47 ? 3.002 15.004 -8.399 1.00 0.00 ? 47 GLU A CB 4 ATOM 5260 C CG . GLU A 1 47 ? 3.493 13.888 -9.305 1.00 0.00 ? 47 GLU A CG 4 ATOM 5261 C CD . GLU A 1 47 ? 2.386 13.302 -10.160 1.00 0.00 ? 47 GLU A CD 4 ATOM 5262 O OE1 . GLU A 1 47 ? 2.005 13.943 -11.161 1.00 0.00 ? 47 GLU A OE1 4 ATOM 5263 O OE2 . GLU A 1 47 ? 1.900 12.200 -9.827 1.00 0.00 ? 47 GLU A OE2 4 ATOM 5264 H H . GLU A 1 47 ? 3.983 13.747 -6.419 1.00 0.00 ? 47 GLU A H 4 ATOM 5265 H HA . GLU A 1 47 ? 4.954 15.823 -8.081 1.00 0.00 ? 47 GLU A HA 4 ATOM 5266 H HB2 . GLU A 1 47 ? 2.200 14.618 -7.787 1.00 0.00 ? 47 GLU A HB2 4 ATOM 5267 H HB3 . GLU A 1 47 ? 2.618 15.800 -9.019 1.00 0.00 ? 47 GLU A HB3 4 ATOM 5268 H HG2 . GLU A 1 47 ? 4.259 14.281 -9.957 1.00 0.00 ? 47 GLU A HG2 4 ATOM 5269 H HG3 . GLU A 1 47 ? 3.910 13.102 -8.694 1.00 0.00 ? 47 GLU A HG3 4 ATOM 5270 N N . ALA A 1 48 ? 3.040 16.679 -5.598 1.00 0.00 ? 48 ALA A N 4 ATOM 5271 C CA . ALA A 1 48 ? 2.519 17.808 -4.837 1.00 0.00 ? 48 ALA A CA 4 ATOM 5272 C C . ALA A 1 48 ? 3.651 18.662 -4.278 1.00 0.00 ? 48 ALA A C 4 ATOM 5273 O O . ALA A 1 48 ? 3.729 19.860 -4.549 1.00 0.00 ? 48 ALA A O 4 ATOM 5274 C CB . ALA A 1 48 ? 1.620 17.316 -3.712 1.00 0.00 ? 48 ALA A CB 4 ATOM 5275 H H . ALA A 1 48 ? 2.990 15.779 -5.212 1.00 0.00 ? 48 ALA A H 4 ATOM 5276 H HA . ALA A 1 48 ? 1.921 18.412 -5.505 1.00 0.00 ? 48 ALA A HA 4 ATOM 5277 H HB1 . ALA A 1 48 ? 0.790 17.998 -3.592 1.00 0.00 ? 48 ALA A HB1 4 ATOM 5278 H HB2 . ALA A 1 48 ? 1.246 16.333 -3.954 1.00 0.00 ? 48 ALA A HB2 4 ATOM 5279 H HB3 . ALA A 1 48 ? 2.185 17.271 -2.794 1.00 0.00 ? 48 ALA A HB3 4 ATOM 5280 N N . MET A 1 49 ? 4.526 18.038 -3.496 1.00 0.00 ? 49 MET A N 4 ATOM 5281 C CA . MET A 1 49 ? 5.654 18.743 -2.899 1.00 0.00 ? 49 MET A CA 4 ATOM 5282 C C . MET A 1 49 ? 6.537 19.367 -3.975 1.00 0.00 ? 49 MET A C 4 ATOM 5283 O O . MET A 1 49 ? 7.255 20.334 -3.720 1.00 0.00 ? 49 MET A O 4 ATOM 5284 C CB . MET A 1 49 ? 6.480 17.788 -2.035 1.00 0.00 ? 49 MET A CB 4 ATOM 5285 C CG . MET A 1 49 ? 6.943 16.544 -2.777 1.00 0.00 ? 49 MET A CG 4 ATOM 5286 S SD . MET A 1 49 ? 7.608 15.284 -1.673 1.00 0.00 ? 49 MET A SD 4 ATOM 5287 C CE . MET A 1 49 ? 6.336 15.232 -0.413 1.00 0.00 ? 49 MET A CE 4 ATOM 5288 H H . MET A 1 49 ? 4.411 17.082 -3.316 1.00 0.00 ? 49 MET A H 4 ATOM 5289 H HA . MET A 1 49 ? 5.260 19.529 -2.273 1.00 0.00 ? 49 MET A HA 4 ATOM 5290 H HB2 . MET A 1 49 ? 7.353 18.311 -1.674 1.00 0.00 ? 49 MET A HB2 4 ATOM 5291 H HB3 . MET A 1 49 ? 5.883 17.475 -1.192 1.00 0.00 ? 49 MET A HB3 4 ATOM 5292 H HG2 . MET A 1 49 ? 6.104 16.127 -3.312 1.00 0.00 ? 49 MET A HG2 4 ATOM 5293 H HG3 . MET A 1 49 ? 7.711 16.828 -3.482 1.00 0.00 ? 49 MET A HG3 4 ATOM 5294 H HE1 . MET A 1 49 ? 5.398 15.560 -0.835 1.00 0.00 ? 49 MET A HE1 4 ATOM 5295 H HE2 . MET A 1 49 ? 6.233 14.221 -0.047 1.00 0.00 ? 49 MET A HE2 4 ATOM 5296 H HE3 . MET A 1 49 ? 6.612 15.885 0.403 1.00 0.00 ? 49 MET A HE3 4 ATOM 5297 N N . LYS A 1 50 ? 6.480 18.807 -5.178 1.00 0.00 ? 50 LYS A N 4 ATOM 5298 C CA . LYS A 1 50 ? 7.273 19.308 -6.294 1.00 0.00 ? 50 LYS A CA 4 ATOM 5299 C C . LYS A 1 50 ? 6.728 20.642 -6.793 1.00 0.00 ? 50 LYS A C 4 ATOM 5300 O O . LYS A 1 50 ? 7.395 21.355 -7.544 1.00 0.00 ? 50 LYS A O 4 ATOM 5301 C CB . LYS A 1 50 ? 7.284 18.290 -7.437 1.00 0.00 ? 50 LYS A CB 4 ATOM 5302 C CG . LYS A 1 50 ? 8.424 17.291 -7.351 1.00 0.00 ? 50 LYS A CG 4 ATOM 5303 C CD . LYS A 1 50 ? 8.246 16.155 -8.344 1.00 0.00 ? 50 LYS A CD 4 ATOM 5304 C CE . LYS A 1 50 ? 9.575 15.494 -8.680 1.00 0.00 ? 50 LYS A CE 4 ATOM 5305 N NZ . LYS A 1 50 ? 10.218 14.900 -7.475 1.00 0.00 ? 50 LYS A NZ 4 ATOM 5306 H H . LYS A 1 50 ? 5.888 18.037 -5.320 1.00 0.00 ? 50 LYS A H 4 ATOM 5307 H HA . LYS A 1 50 ? 8.284 19.454 -5.944 1.00 0.00 ? 50 LYS A HA 4 ATOM 5308 H HB2 . LYS A 1 50 ? 6.352 17.744 -7.425 1.00 0.00 ? 50 LYS A HB2 4 ATOM 5309 H HB3 . LYS A 1 50 ? 7.368 18.820 -8.375 1.00 0.00 ? 50 LYS A HB3 4 ATOM 5310 H HG2 . LYS A 1 50 ? 9.353 17.798 -7.564 1.00 0.00 ? 50 LYS A HG2 4 ATOM 5311 H HG3 . LYS A 1 50 ? 8.457 16.881 -6.351 1.00 0.00 ? 50 LYS A HG3 4 ATOM 5312 H HD2 . LYS A 1 50 ? 7.587 15.414 -7.917 1.00 0.00 ? 50 LYS A HD2 4 ATOM 5313 H HD3 . LYS A 1 50 ? 7.809 16.547 -9.252 1.00 0.00 ? 50 LYS A HD3 4 ATOM 5314 H HE2 . LYS A 1 50 ? 9.401 14.715 -9.406 1.00 0.00 ? 50 LYS A HE2 4 ATOM 5315 H HE3 . LYS A 1 50 ? 10.235 16.238 -9.100 1.00 0.00 ? 50 LYS A HE3 4 ATOM 5316 H HZ1 . LYS A 1 50 ? 9.659 15.119 -6.627 1.00 0.00 ? 50 LYS A HZ1 4 ATOM 5317 H HZ2 . LYS A 1 50 ? 11.176 15.287 -7.355 1.00 0.00 ? 50 LYS A HZ2 4 ATOM 5318 H HZ3 . LYS A 1 50 ? 10.284 13.867 -7.578 1.00 0.00 ? 50 LYS A HZ3 4 ATOM 5319 N N . LEU A 1 51 ? 5.513 20.975 -6.371 1.00 0.00 ? 51 LEU A N 4 ATOM 5320 C CA . LEU A 1 51 ? 4.879 22.226 -6.774 1.00 0.00 ? 51 LEU A CA 4 ATOM 5321 C C . LEU A 1 51 ? 4.801 23.199 -5.601 1.00 0.00 ? 51 LEU A C 4 ATOM 5322 O O . LEU A 1 51 ? 5.253 24.340 -5.696 1.00 0.00 ? 51 LEU A O 4 ATOM 5323 C CB . LEU A 1 51 ? 3.477 21.956 -7.322 1.00 0.00 ? 51 LEU A CB 4 ATOM 5324 C CG . LEU A 1 51 ? 3.383 21.694 -8.825 1.00 0.00 ? 51 LEU A CG 4 ATOM 5325 C CD1 . LEU A 1 51 ? 4.021 20.359 -9.176 1.00 0.00 ? 51 LEU A CD1 4 ATOM 5326 C CD2 . LEU A 1 51 ? 1.932 21.731 -9.283 1.00 0.00 ? 51 LEU A CD2 4 ATOM 5327 H H . LEU A 1 51 ? 5.031 20.366 -5.774 1.00 0.00 ? 51 LEU A H 4 ATOM 5328 H HA . LEU A 1 51 ? 5.483 22.667 -7.553 1.00 0.00 ? 51 LEU A HA 4 ATOM 5329 H HB2 . LEU A 1 51 ? 3.083 21.091 -6.811 1.00 0.00 ? 51 LEU A HB2 4 ATOM 5330 H HB3 . LEU A 1 51 ? 2.863 22.816 -7.096 1.00 0.00 ? 51 LEU A HB3 4 ATOM 5331 H HG . LEU A 1 51 ? 3.921 22.469 -9.354 1.00 0.00 ? 51 LEU A HG 4 ATOM 5332 H HD11 . LEU A 1 51 ? 4.209 20.317 -10.238 1.00 0.00 ? 51 LEU A HD11 4 ATOM 5333 H HD12 . LEU A 1 51 ? 3.353 19.557 -8.897 1.00 0.00 ? 51 LEU A HD12 4 ATOM 5334 H HD13 . LEU A 1 51 ? 4.953 20.254 -8.640 1.00 0.00 ? 51 LEU A HD13 4 ATOM 5335 H HD21 . LEU A 1 51 ? 1.284 21.535 -8.442 1.00 0.00 ? 51 LEU A HD21 4 ATOM 5336 H HD22 . LEU A 1 51 ? 1.775 20.977 -10.041 1.00 0.00 ? 51 LEU A HD22 4 ATOM 5337 H HD23 . LEU A 1 51 ? 1.708 22.705 -9.692 1.00 0.00 ? 51 LEU A HD23 4 ATOM 5338 N N . THR A 1 52 ? 4.225 22.739 -4.495 1.00 0.00 ? 52 THR A N 4 ATOM 5339 C CA . THR A 1 52 ? 4.089 23.567 -3.303 1.00 0.00 ? 52 THR A CA 4 ATOM 5340 C C . THR A 1 52 ? 5.414 24.223 -2.935 1.00 0.00 ? 52 THR A C 4 ATOM 5341 O O . THR A 1 52 ? 6.448 23.560 -2.870 1.00 0.00 ? 52 THR A O 4 ATOM 5342 C CB . THR A 1 52 ? 3.585 22.745 -2.102 1.00 0.00 ? 52 THR A CB 4 ATOM 5343 O OG1 . THR A 1 52 ? 2.911 23.600 -1.172 1.00 0.00 ? 52 THR A OG1 4 ATOM 5344 C CG2 . THR A 1 52 ? 4.739 22.039 -1.407 1.00 0.00 ? 52 THR A CG2 4 ATOM 5345 H H . THR A 1 52 ? 3.885 21.820 -4.481 1.00 0.00 ? 52 THR A H 4 ATOM 5346 H HA . THR A 1 52 ? 3.363 24.339 -3.515 1.00 0.00 ? 52 THR A HA 4 ATOM 5347 H HB . THR A 1 52 ? 2.890 22.000 -2.462 1.00 0.00 ? 52 THR A HB 4 ATOM 5348 H HG1 . THR A 1 52 ? 2.029 23.261 -1.005 1.00 0.00 ? 52 THR A HG1 4 ATOM 5349 H HG21 . THR A 1 52 ? 5.313 22.758 -0.841 1.00 0.00 ? 52 THR A HG21 4 ATOM 5350 H HG22 . THR A 1 52 ? 5.373 21.573 -2.146 1.00 0.00 ? 52 THR A HG22 4 ATOM 5351 H HG23 . THR A 1 52 ? 4.349 21.285 -0.740 1.00 0.00 ? 52 THR A HG23 4 ATOM 5352 N N . GLU A 1 53 ? 5.376 25.530 -2.695 1.00 0.00 ? 53 GLU A N 4 ATOM 5353 C CA . GLU A 1 53 ? 6.576 26.275 -2.333 1.00 0.00 ? 53 GLU A CA 4 ATOM 5354 C C . GLU A 1 53 ? 6.699 26.405 -0.817 1.00 0.00 ? 53 GLU A C 4 ATOM 5355 O O . GLU A 1 53 ? 7.801 26.521 -0.281 1.00 0.00 ? 53 GLU A O 4 ATOM 5356 C CB . GLU A 1 53 ? 6.554 27.664 -2.974 1.00 0.00 ? 53 GLU A CB 4 ATOM 5357 C CG . GLU A 1 53 ? 7.936 28.215 -3.282 1.00 0.00 ? 53 GLU A CG 4 ATOM 5358 C CD . GLU A 1 53 ? 8.894 28.072 -2.115 1.00 0.00 ? 53 GLU A CD 4 ATOM 5359 O OE1 . GLU A 1 53 ? 8.872 28.940 -1.219 1.00 0.00 ? 53 GLU A OE1 4 ATOM 5360 O OE2 . GLU A 1 53 ? 9.666 27.090 -2.099 1.00 0.00 ? 53 GLU A OE2 4 ATOM 5361 H H . GLU A 1 53 ? 4.521 26.004 -2.763 1.00 0.00 ? 53 GLU A H 4 ATOM 5362 H HA . GLU A 1 53 ? 7.430 25.730 -2.706 1.00 0.00 ? 53 GLU A HA 4 ATOM 5363 H HB2 . GLU A 1 53 ? 5.995 27.612 -3.897 1.00 0.00 ? 53 GLU A HB2 4 ATOM 5364 H HB3 . GLU A 1 53 ? 6.058 28.350 -2.303 1.00 0.00 ? 53 GLU A HB3 4 ATOM 5365 H HG2 . GLU A 1 53 ? 8.342 27.681 -4.128 1.00 0.00 ? 53 GLU A HG2 4 ATOM 5366 H HG3 . GLU A 1 53 ? 7.846 29.262 -3.529 1.00 0.00 ? 53 GLU A HG3 4 ATOM 5367 N N . SER A 1 54 ? 5.560 26.386 -0.133 1.00 0.00 ? 54 SER A N 4 ATOM 5368 C CA . SER A 1 54 ? 5.539 26.506 1.320 1.00 0.00 ? 54 SER A CA 4 ATOM 5369 C C . SER A 1 54 ? 6.231 25.314 1.974 1.00 0.00 ? 54 SER A C 4 ATOM 5370 O O . SER A 1 54 ? 5.877 24.163 1.722 1.00 0.00 ? 54 SER A O 4 ATOM 5371 C CB . SER A 1 54 ? 4.098 26.612 1.824 1.00 0.00 ? 54 SER A CB 4 ATOM 5372 O OG . SER A 1 54 ? 4.059 27.066 3.165 1.00 0.00 ? 54 SER A OG 4 ATOM 5373 H H . SER A 1 54 ? 4.713 26.292 -0.617 1.00 0.00 ? 54 SER A H 4 ATOM 5374 H HA . SER A 1 54 ? 6.072 27.407 1.586 1.00 0.00 ? 54 SER A HA 4 ATOM 5375 H HB2 . SER A 1 54 ? 3.554 27.309 1.205 1.00 0.00 ? 54 SER A HB2 4 ATOM 5376 H HB3 . SER A 1 54 ? 3.629 25.641 1.770 1.00 0.00 ? 54 SER A HB3 4 ATOM 5377 H HG . SER A 1 54 ? 4.518 26.439 3.729 1.00 0.00 ? 54 SER A HG 4 ATOM 5378 N N . GLU A 1 55 ? 7.221 25.600 2.814 1.00 0.00 ? 55 GLU A N 4 ATOM 5379 C CA . GLU A 1 55 ? 7.964 24.552 3.504 1.00 0.00 ? 55 GLU A CA 4 ATOM 5380 C C . GLU A 1 55 ? 7.015 23.571 4.186 1.00 0.00 ? 55 GLU A C 4 ATOM 5381 O O . GLU A 1 55 ? 6.923 22.407 3.795 1.00 0.00 ? 55 GLU A O 4 ATOM 5382 C CB . GLU A 1 55 ? 8.912 25.163 4.537 1.00 0.00 ? 55 GLU A CB 4 ATOM 5383 C CG . GLU A 1 55 ? 10.042 24.235 4.950 1.00 0.00 ? 55 GLU A CG 4 ATOM 5384 C CD . GLU A 1 55 ? 10.862 24.790 6.099 1.00 0.00 ? 55 GLU A CD 4 ATOM 5385 O OE1 . GLU A 1 55 ? 10.338 25.647 6.841 1.00 0.00 ? 55 GLU A OE1 4 ATOM 5386 O OE2 . GLU A 1 55 ? 12.026 24.367 6.256 1.00 0.00 ? 55 GLU A OE2 4 ATOM 5387 H H . GLU A 1 55 ? 7.457 26.538 2.974 1.00 0.00 ? 55 GLU A H 4 ATOM 5388 H HA . GLU A 1 55 ? 8.545 24.018 2.767 1.00 0.00 ? 55 GLU A HA 4 ATOM 5389 H HB2 . GLU A 1 55 ? 9.345 26.062 4.124 1.00 0.00 ? 55 GLU A HB2 4 ATOM 5390 H HB3 . GLU A 1 55 ? 8.345 25.420 5.420 1.00 0.00 ? 55 GLU A HB3 4 ATOM 5391 H HG2 . GLU A 1 55 ? 9.621 23.288 5.253 1.00 0.00 ? 55 GLU A HG2 4 ATOM 5392 H HG3 . GLU A 1 55 ? 10.694 24.084 4.102 1.00 0.00 ? 55 GLU A HG3 4 ATOM 5393 N N . GLN A 1 56 ? 6.311 24.050 5.207 1.00 0.00 ? 56 GLN A N 4 ATOM 5394 C CA . GLN A 1 56 ? 5.370 23.215 5.944 1.00 0.00 ? 56 GLN A CA 4 ATOM 5395 C C . GLN A 1 56 ? 4.634 22.265 5.005 1.00 0.00 ? 56 GLN A C 4 ATOM 5396 O O . GLN A 1 56 ? 4.669 21.048 5.186 1.00 0.00 ? 56 GLN A O 4 ATOM 5397 C CB . GLN A 1 56 ? 4.365 24.087 6.698 1.00 0.00 ? 56 GLN A CB 4 ATOM 5398 C CG . GLN A 1 56 ? 4.827 24.482 8.092 1.00 0.00 ? 56 GLN A CG 4 ATOM 5399 C CD . GLN A 1 56 ? 4.891 23.301 9.041 1.00 0.00 ? 56 GLN A CD 4 ATOM 5400 O OE1 . GLN A 1 56 ? 3.922 22.558 9.192 1.00 0.00 ? 56 GLN A OE1 4 ATOM 5401 N NE2 . GLN A 1 56 ? 6.038 23.123 9.687 1.00 0.00 ? 56 GLN A NE2 4 ATOM 5402 H H . GLN A 1 56 ? 6.428 24.986 5.470 1.00 0.00 ? 56 GLN A H 4 ATOM 5403 H HA . GLN A 1 56 ? 5.933 22.632 6.657 1.00 0.00 ? 56 GLN A HA 4 ATOM 5404 H HB2 . GLN A 1 56 ? 4.192 24.989 6.130 1.00 0.00 ? 56 GLN A HB2 4 ATOM 5405 H HB3 . GLN A 1 56 ? 3.435 23.545 6.791 1.00 0.00 ? 56 GLN A HB3 4 ATOM 5406 H HG2 . GLN A 1 56 ? 5.811 24.920 8.020 1.00 0.00 ? 56 GLN A HG2 4 ATOM 5407 H HG3 . GLN A 1 56 ? 4.137 25.210 8.492 1.00 0.00 ? 56 GLN A HG3 4 ATOM 5408 H HE21 . GLN A 1 56 ? 6.767 23.756 9.518 1.00 0.00 ? 56 GLN A HE21 4 ATOM 5409 H HE22 . GLN A 1 56 ? 6.107 22.369 10.307 1.00 0.00 ? 56 GLN A HE22 4 ATOM 5410 N N . ALA A 1 57 ? 3.968 22.829 4.003 1.00 0.00 ? 57 ALA A N 4 ATOM 5411 C CA . ALA A 1 57 ? 3.225 22.033 3.035 1.00 0.00 ? 57 ALA A CA 4 ATOM 5412 C C . ALA A 1 57 ? 4.053 20.848 2.547 1.00 0.00 ? 57 ALA A C 4 ATOM 5413 O O . ALA A 1 57 ? 3.586 19.709 2.548 1.00 0.00 ? 57 ALA A O 4 ATOM 5414 C CB . ALA A 1 57 ? 2.794 22.897 1.860 1.00 0.00 ? 57 ALA A CB 4 ATOM 5415 H H . ALA A 1 57 ? 3.978 23.805 3.912 1.00 0.00 ? 57 ALA A H 4 ATOM 5416 H HA . ALA A 1 57 ? 2.335 21.660 3.522 1.00 0.00 ? 57 ALA A HA 4 ATOM 5417 H HB1 . ALA A 1 57 ? 2.100 23.651 2.204 1.00 0.00 ? 57 ALA A HB1 4 ATOM 5418 H HB2 . ALA A 1 57 ? 3.660 23.375 1.428 1.00 0.00 ? 57 ALA A HB2 4 ATOM 5419 H HB3 . ALA A 1 57 ? 2.314 22.279 1.115 1.00 0.00 ? 57 ALA A HB3 4 ATOM 5420 N N . HIS A 1 58 ? 5.285 21.125 2.131 1.00 0.00 ? 58 HIS A N 4 ATOM 5421 C CA . HIS A 1 58 ? 6.178 20.081 1.641 1.00 0.00 ? 58 HIS A CA 4 ATOM 5422 C C . HIS A 1 58 ? 6.491 19.073 2.741 1.00 0.00 ? 58 HIS A C 4 ATOM 5423 O O . HIS A 1 58 ? 6.711 17.891 2.471 1.00 0.00 ? 58 HIS A O 4 ATOM 5424 C CB . HIS A 1 58 ? 7.474 20.697 1.113 1.00 0.00 ? 58 HIS A CB 4 ATOM 5425 C CG . HIS A 1 58 ? 8.538 19.687 0.811 1.00 0.00 ? 58 HIS A CG 4 ATOM 5426 N ND1 . HIS A 1 58 ? 9.044 18.821 1.757 1.00 0.00 ? 58 HIS A ND1 4 ATOM 5427 C CD2 . HIS A 1 58 ? 9.190 19.405 -0.342 1.00 0.00 ? 58 HIS A CD2 4 ATOM 5428 C CE1 . HIS A 1 58 ? 9.963 18.052 1.200 1.00 0.00 ? 58 HIS A CE1 4 ATOM 5429 N NE2 . HIS A 1 58 ? 10.070 18.386 -0.073 1.00 0.00 ? 58 HIS A NE2 4 ATOM 5430 H H . HIS A 1 58 ? 5.600 22.052 2.155 1.00 0.00 ? 58 HIS A H 4 ATOM 5431 H HA . HIS A 1 58 ? 5.678 19.570 0.832 1.00 0.00 ? 58 HIS A HA 4 ATOM 5432 H HB2 . HIS A 1 58 ? 7.264 21.239 0.203 1.00 0.00 ? 58 HIS A HB2 4 ATOM 5433 H HB3 . HIS A 1 58 ? 7.867 21.382 1.851 1.00 0.00 ? 58 HIS A HB3 4 ATOM 5434 H HD1 . HIS A 1 58 ? 8.772 18.778 2.697 1.00 0.00 ? 58 HIS A HD1 4 ATOM 5435 H HD2 . HIS A 1 58 ? 9.045 19.892 -1.296 1.00 0.00 ? 58 HIS A HD2 4 ATOM 5436 H HE1 . HIS A 1 58 ? 10.530 17.281 1.700 1.00 0.00 ? 58 HIS A HE1 4 ATOM 5437 H HE2 . HIS A 1 58 ? 10.738 18.031 -0.695 1.00 0.00 ? 58 HIS A HE2 4 ATOM 5438 N N . LEU A 1 59 ? 6.511 19.546 3.983 1.00 0.00 ? 59 LEU A N 4 ATOM 5439 C CA . LEU A 1 59 ? 6.798 18.685 5.125 1.00 0.00 ? 59 LEU A CA 4 ATOM 5440 C C . LEU A 1 59 ? 5.632 17.741 5.402 1.00 0.00 ? 59 LEU A C 4 ATOM 5441 O O . LEU A 1 59 ? 5.826 16.543 5.605 1.00 0.00 ? 59 LEU A O 4 ATOM 5442 C CB . LEU A 1 59 ? 7.090 19.531 6.365 1.00 0.00 ? 59 LEU A CB 4 ATOM 5443 C CG . LEU A 1 59 ? 8.526 20.038 6.509 1.00 0.00 ? 59 LEU A CG 4 ATOM 5444 C CD1 . LEU A 1 59 ? 9.084 20.453 5.156 1.00 0.00 ? 59 LEU A CD1 4 ATOM 5445 C CD2 . LEU A 1 59 ? 8.586 21.198 7.492 1.00 0.00 ? 59 LEU A CD2 4 ATOM 5446 H H . LEU A 1 59 ? 6.328 20.496 4.136 1.00 0.00 ? 59 LEU A H 4 ATOM 5447 H HA . LEU A 1 59 ? 7.672 18.098 4.886 1.00 0.00 ? 59 LEU A HA 4 ATOM 5448 H HB2 . LEU A 1 59 ? 6.438 20.390 6.341 1.00 0.00 ? 59 LEU A HB2 4 ATOM 5449 H HB3 . LEU A 1 59 ? 6.861 18.932 7.235 1.00 0.00 ? 59 LEU A HB3 4 ATOM 5450 H HG . LEU A 1 59 ? 9.146 19.240 6.894 1.00 0.00 ? 59 LEU A HG 4 ATOM 5451 H HD11 . LEU A 1 59 ? 10.150 20.599 5.236 1.00 0.00 ? 59 LEU A HD11 4 ATOM 5452 H HD12 . LEU A 1 59 ? 8.617 21.374 4.842 1.00 0.00 ? 59 LEU A HD12 4 ATOM 5453 H HD13 . LEU A 1 59 ? 8.879 19.679 4.430 1.00 0.00 ? 59 LEU A HD13 4 ATOM 5454 H HD21 . LEU A 1 59 ? 8.043 22.039 7.088 1.00 0.00 ? 59 LEU A HD21 4 ATOM 5455 H HD22 . LEU A 1 59 ? 9.617 21.480 7.653 1.00 0.00 ? 59 LEU A HD22 4 ATOM 5456 H HD23 . LEU A 1 59 ? 8.143 20.899 8.430 1.00 0.00 ? 59 LEU A HD23 4 ATOM 5457 N N . SER A 1 60 ? 4.422 18.290 5.409 1.00 0.00 ? 60 SER A N 4 ATOM 5458 C CA . SER A 1 60 ? 3.224 17.498 5.663 1.00 0.00 ? 60 SER A CA 4 ATOM 5459 C C . SER A 1 60 ? 3.151 16.305 4.714 1.00 0.00 ? 60 SER A C 4 ATOM 5460 O O . SER A 1 60 ? 2.563 15.273 5.040 1.00 0.00 ? 60 SER A O 4 ATOM 5461 C CB . SER A 1 60 ? 1.972 18.364 5.510 1.00 0.00 ? 60 SER A CB 4 ATOM 5462 O OG . SER A 1 60 ? 1.659 18.570 4.143 1.00 0.00 ? 60 SER A OG 4 ATOM 5463 H H . SER A 1 60 ? 4.333 19.252 5.241 1.00 0.00 ? 60 SER A H 4 ATOM 5464 H HA . SER A 1 60 ? 3.278 17.133 6.677 1.00 0.00 ? 60 SER A HA 4 ATOM 5465 H HB2 . SER A 1 60 ? 1.138 17.873 5.988 1.00 0.00 ? 60 SER A HB2 4 ATOM 5466 H HB3 . SER A 1 60 ? 2.142 19.323 5.977 1.00 0.00 ? 60 SER A HB3 4 ATOM 5467 H HG . SER A 1 60 ? 0.736 18.820 4.060 1.00 0.00 ? 60 SER A HG 4 ATOM 5468 N N . LEU A 1 61 ? 3.752 16.455 3.539 1.00 0.00 ? 61 LEU A N 4 ATOM 5469 C CA . LEU A 1 61 ? 3.755 15.391 2.541 1.00 0.00 ? 61 LEU A CA 4 ATOM 5470 C C . LEU A 1 61 ? 4.978 14.494 2.705 1.00 0.00 ? 61 LEU A C 4 ATOM 5471 O O . LEU A 1 61 ? 4.852 13.290 2.925 1.00 0.00 ? 61 LEU A O 4 ATOM 5472 C CB . LEU A 1 61 ? 3.731 15.986 1.132 1.00 0.00 ? 61 LEU A CB 4 ATOM 5473 C CG . LEU A 1 61 ? 2.696 17.084 0.885 1.00 0.00 ? 61 LEU A CG 4 ATOM 5474 C CD1 . LEU A 1 61 ? 3.179 18.039 -0.196 1.00 0.00 ? 61 LEU A CD1 4 ATOM 5475 C CD2 . LEU A 1 61 ? 1.354 16.477 0.503 1.00 0.00 ? 61 LEU A CD2 4 ATOM 5476 H H . LEU A 1 61 ? 4.204 17.300 3.336 1.00 0.00 ? 61 LEU A H 4 ATOM 5477 H HA . LEU A 1 61 ? 2.866 14.796 2.687 1.00 0.00 ? 61 LEU A HA 4 ATOM 5478 H HB2 . LEU A 1 61 ? 4.707 16.400 0.931 1.00 0.00 ? 61 LEU A HB2 4 ATOM 5479 H HB3 . LEU A 1 61 ? 3.533 15.181 0.437 1.00 0.00 ? 61 LEU A HB3 4 ATOM 5480 H HG . LEU A 1 61 ? 2.561 17.653 1.795 1.00 0.00 ? 61 LEU A HG 4 ATOM 5481 H HD11 . LEU A 1 61 ? 2.329 18.438 -0.729 1.00 0.00 ? 61 LEU A HD11 4 ATOM 5482 H HD12 . LEU A 1 61 ? 3.818 17.508 -0.886 1.00 0.00 ? 61 LEU A HD12 4 ATOM 5483 H HD13 . LEU A 1 61 ? 3.733 18.847 0.258 1.00 0.00 ? 61 LEU A HD13 4 ATOM 5484 H HD21 . LEU A 1 61 ? 1.517 15.571 -0.061 1.00 0.00 ? 61 LEU A HD21 4 ATOM 5485 H HD22 . LEU A 1 61 ? 0.799 17.182 -0.099 1.00 0.00 ? 61 LEU A HD22 4 ATOM 5486 H HD23 . LEU A 1 61 ? 0.795 16.248 1.398 1.00 0.00 ? 61 LEU A HD23 4 ATOM 5487 N N . GLU A 1 62 ? 6.162 15.091 2.599 1.00 0.00 ? 62 GLU A N 4 ATOM 5488 C CA . GLU A 1 62 ? 7.407 14.345 2.738 1.00 0.00 ? 62 GLU A CA 4 ATOM 5489 C C . GLU A 1 62 ? 7.289 13.286 3.830 1.00 0.00 ? 62 GLU A C 4 ATOM 5490 O O . GLU A 1 62 ? 7.853 12.197 3.718 1.00 0.00 ? 62 GLU A O 4 ATOM 5491 C CB . GLU A 1 62 ? 8.563 15.295 3.056 1.00 0.00 ? 62 GLU A CB 4 ATOM 5492 C CG . GLU A 1 62 ? 8.754 15.545 4.543 1.00 0.00 ? 62 GLU A CG 4 ATOM 5493 C CD . GLU A 1 62 ? 10.012 16.336 4.845 1.00 0.00 ? 62 GLU A CD 4 ATOM 5494 O OE1 . GLU A 1 62 ? 10.998 16.191 4.092 1.00 0.00 ? 62 GLU A OE1 4 ATOM 5495 O OE2 . GLU A 1 62 ? 10.011 17.098 5.834 1.00 0.00 ? 62 GLU A OE2 4 ATOM 5496 H H . GLU A 1 62 ? 6.198 16.054 2.423 1.00 0.00 ? 62 GLU A H 4 ATOM 5497 H HA . GLU A 1 62 ? 7.606 13.854 1.797 1.00 0.00 ? 62 GLU A HA 4 ATOM 5498 H HB2 . GLU A 1 62 ? 9.477 14.876 2.662 1.00 0.00 ? 62 GLU A HB2 4 ATOM 5499 H HB3 . GLU A 1 62 ? 8.376 16.244 2.575 1.00 0.00 ? 62 GLU A HB3 4 ATOM 5500 H HG2 . GLU A 1 62 ? 7.904 16.096 4.915 1.00 0.00 ? 62 GLU A HG2 4 ATOM 5501 H HG3 . GLU A 1 62 ? 8.815 14.593 5.050 1.00 0.00 ? 62 GLU A HG3 4 ATOM 5502 N N . LEU A 1 63 ? 6.553 13.614 4.886 1.00 0.00 ? 63 LEU A N 4 ATOM 5503 C CA . LEU A 1 63 ? 6.360 12.693 6.001 1.00 0.00 ? 63 LEU A CA 4 ATOM 5504 C C . LEU A 1 63 ? 5.366 11.596 5.634 1.00 0.00 ? 63 LEU A C 4 ATOM 5505 O O . LEU A 1 63 ? 5.606 10.416 5.892 1.00 0.00 ? 63 LEU A O 4 ATOM 5506 C CB . LEU A 1 63 ? 5.869 13.450 7.236 1.00 0.00 ? 63 LEU A CB 4 ATOM 5507 C CG . LEU A 1 63 ? 6.913 14.300 7.961 1.00 0.00 ? 63 LEU A CG 4 ATOM 5508 C CD1 . LEU A 1 63 ? 6.238 15.301 8.885 1.00 0.00 ? 63 LEU A CD1 4 ATOM 5509 C CD2 . LEU A 1 63 ? 7.873 13.414 8.741 1.00 0.00 ? 63 LEU A CD2 4 ATOM 5510 H H . LEU A 1 63 ? 6.129 14.497 4.919 1.00 0.00 ? 63 LEU A H 4 ATOM 5511 H HA . LEU A 1 63 ? 7.314 12.238 6.223 1.00 0.00 ? 63 LEU A HA 4 ATOM 5512 H HB2 . LEU A 1 63 ? 5.068 14.103 6.926 1.00 0.00 ? 63 LEU A HB2 4 ATOM 5513 H HB3 . LEU A 1 63 ? 5.487 12.723 7.938 1.00 0.00 ? 63 LEU A HB3 4 ATOM 5514 H HG . LEU A 1 63 ? 7.487 14.854 7.231 1.00 0.00 ? 63 LEU A HG 4 ATOM 5515 H HD11 . LEU A 1 63 ? 5.608 14.776 9.586 1.00 0.00 ? 63 LEU A HD11 4 ATOM 5516 H HD12 . LEU A 1 63 ? 5.636 15.982 8.300 1.00 0.00 ? 63 LEU A HD12 4 ATOM 5517 H HD13 . LEU A 1 63 ? 6.990 15.859 9.423 1.00 0.00 ? 63 LEU A HD13 4 ATOM 5518 H HD21 . LEU A 1 63 ? 7.674 12.378 8.511 1.00 0.00 ? 63 LEU A HD21 4 ATOM 5519 H HD22 . LEU A 1 63 ? 7.736 13.580 9.800 1.00 0.00 ? 63 LEU A HD22 4 ATOM 5520 H HD23 . LEU A 1 63 ? 8.889 13.655 8.467 1.00 0.00 ? 63 LEU A HD23 4 ATOM 5521 N N . GLN A 1 64 ? 4.251 11.993 5.030 1.00 0.00 ? 64 GLN A N 4 ATOM 5522 C CA . GLN A 1 64 ? 3.221 11.042 4.626 1.00 0.00 ? 64 GLN A CA 4 ATOM 5523 C C . GLN A 1 64 ? 3.811 9.936 3.757 1.00 0.00 ? 64 GLN A C 4 ATOM 5524 O O . GLN A 1 64 ? 3.504 8.759 3.941 1.00 0.00 ? 64 GLN A O 4 ATOM 5525 C CB . GLN A 1 64 ? 2.103 11.760 3.869 1.00 0.00 ? 64 GLN A CB 4 ATOM 5526 C CG . GLN A 1 64 ? 0.759 11.057 3.957 1.00 0.00 ? 64 GLN A CG 4 ATOM 5527 C CD . GLN A 1 64 ? 0.082 11.258 5.299 1.00 0.00 ? 64 GLN A CD 4 ATOM 5528 O OE1 . GLN A 1 64 ? 0.685 11.773 6.240 1.00 0.00 ? 64 GLN A OE1 4 ATOM 5529 N NE2 . GLN A 1 64 ? -1.178 10.850 5.393 1.00 0.00 ? 64 GLN A NE2 4 ATOM 5530 H H . GLN A 1 64 ? 4.117 12.946 4.851 1.00 0.00 ? 64 GLN A H 4 ATOM 5531 H HA . GLN A 1 64 ? 2.810 10.599 5.521 1.00 0.00 ? 64 GLN A HA 4 ATOM 5532 H HB2 . GLN A 1 64 ? 1.992 12.756 4.273 1.00 0.00 ? 64 GLN A HB2 4 ATOM 5533 H HB3 . GLN A 1 64 ? 2.379 11.832 2.827 1.00 0.00 ? 64 GLN A HB3 4 ATOM 5534 H HG2 . GLN A 1 64 ? 0.112 11.445 3.184 1.00 0.00 ? 64 GLN A HG2 4 ATOM 5535 H HG3 . GLN A 1 64 ? 0.910 9.999 3.801 1.00 0.00 ? 64 GLN A HG3 4 ATOM 5536 H HE21 . GLN A 1 64 ? -1.595 10.447 4.602 1.00 0.00 ? 64 GLN A HE21 4 ATOM 5537 H HE22 . GLN A 1 64 ? -1.640 10.967 6.249 1.00 0.00 ? 64 GLN A HE22 4 ATOM 5538 N N . ARG A 1 65 ? 4.660 10.324 2.811 1.00 0.00 ? 65 ARG A N 4 ATOM 5539 C CA . ARG A 1 65 ? 5.292 9.365 1.912 1.00 0.00 ? 65 ARG A CA 4 ATOM 5540 C C . ARG A 1 65 ? 6.008 8.272 2.700 1.00 0.00 ? 65 ARG A C 4 ATOM 5541 O O . ARG A 1 65 ? 5.883 7.087 2.391 1.00 0.00 ? 65 ARG A O 4 ATOM 5542 C CB . ARG A 1 65 ? 6.283 10.076 0.989 1.00 0.00 ? 65 ARG A CB 4 ATOM 5543 C CG . ARG A 1 65 ? 6.564 9.320 -0.300 1.00 0.00 ? 65 ARG A CG 4 ATOM 5544 C CD . ARG A 1 65 ? 7.481 10.111 -1.220 1.00 0.00 ? 65 ARG A CD 4 ATOM 5545 N NE . ARG A 1 65 ? 8.863 10.109 -0.749 1.00 0.00 ? 65 ARG A NE 4 ATOM 5546 C CZ . ARG A 1 65 ? 9.334 10.966 0.150 1.00 0.00 ? 65 ARG A CZ 4 ATOM 5547 N NH1 . ARG A 1 65 ? 8.538 11.888 0.672 1.00 0.00 ? 65 ARG A NH1 4 ATOM 5548 N NH2 . ARG A 1 65 ? 10.605 10.900 0.529 1.00 0.00 ? 65 ARG A NH2 4 ATOM 5549 H H . ARG A 1 65 ? 4.865 11.277 2.713 1.00 0.00 ? 65 ARG A H 4 ATOM 5550 H HA . ARG A 1 65 ? 4.517 8.911 1.313 1.00 0.00 ? 65 ARG A HA 4 ATOM 5551 H HB2 . ARG A 1 65 ? 5.885 11.046 0.732 1.00 0.00 ? 65 ARG A HB2 4 ATOM 5552 H HB3 . ARG A 1 65 ? 7.216 10.205 1.515 1.00 0.00 ? 65 ARG A HB3 4 ATOM 5553 H HG2 . ARG A 1 65 ? 7.037 8.380 -0.059 1.00 0.00 ? 65 ARG A HG2 4 ATOM 5554 H HG3 . ARG A 1 65 ? 5.629 9.136 -0.808 1.00 0.00 ? 65 ARG A HG3 4 ATOM 5555 H HD2 . ARG A 1 65 ? 7.446 9.671 -2.205 1.00 0.00 ? 65 ARG A HD2 4 ATOM 5556 H HD3 . ARG A 1 65 ? 7.128 11.130 -1.268 1.00 0.00 ? 65 ARG A HD3 4 ATOM 5557 H HE . ARG A 1 65 ? 9.468 9.435 -1.122 1.00 0.00 ? 65 ARG A HE 4 ATOM 5558 H HH11 . ARG A 1 65 ? 7.581 11.939 0.390 1.00 0.00 ? 65 ARG A HH11 4 ATOM 5559 H HH12 . ARG A 1 65 ? 8.896 12.532 1.350 1.00 0.00 ? 65 ARG A HH12 4 ATOM 5560 H HH21 . ARG A 1 65 ? 11.208 10.206 0.137 1.00 0.00 ? 65 ARG A HH21 4 ATOM 5561 H HH22 . ARG A 1 65 ? 10.958 11.545 1.205 1.00 0.00 ? 65 ARG A HH22 4 ATOM 5562 N N . ASP A 1 66 ? 6.758 8.679 3.718 1.00 0.00 ? 66 ASP A N 4 ATOM 5563 C CA . ASP A 1 66 ? 7.494 7.734 4.551 1.00 0.00 ? 66 ASP A CA 4 ATOM 5564 C C . ASP A 1 66 ? 6.717 6.431 4.712 1.00 0.00 ? 66 ASP A C 4 ATOM 5565 O O . ASP A 1 66 ? 7.099 5.398 4.163 1.00 0.00 ? 66 ASP A O 4 ATOM 5566 C CB . ASP A 1 66 ? 7.777 8.346 5.924 1.00 0.00 ? 66 ASP A CB 4 ATOM 5567 C CG . ASP A 1 66 ? 8.582 7.420 6.815 1.00 0.00 ? 66 ASP A CG 4 ATOM 5568 O OD1 . ASP A 1 66 ? 8.279 6.209 6.840 1.00 0.00 ? 66 ASP A OD1 4 ATOM 5569 O OD2 . ASP A 1 66 ? 9.515 7.907 7.487 1.00 0.00 ? 66 ASP A OD2 4 ATOM 5570 H H . ASP A 1 66 ? 6.817 9.637 3.915 1.00 0.00 ? 66 ASP A H 4 ATOM 5571 H HA . ASP A 1 66 ? 8.432 7.521 4.062 1.00 0.00 ? 66 ASP A HA 4 ATOM 5572 H HB2 . ASP A 1 66 ? 8.333 9.263 5.795 1.00 0.00 ? 66 ASP A HB2 4 ATOM 5573 H HB3 . ASP A 1 66 ? 6.840 8.564 6.415 1.00 0.00 ? 66 ASP A HB3 4 ATOM 5574 N N . SER A 1 67 ? 5.625 6.488 5.468 1.00 0.00 ? 67 SER A N 4 ATOM 5575 C CA . SER A 1 67 ? 4.797 5.312 5.705 1.00 0.00 ? 67 SER A CA 4 ATOM 5576 C C . SER A 1 67 ? 4.389 4.660 4.387 1.00 0.00 ? 67 SER A C 4 ATOM 5577 O O . SER A 1 67 ? 4.665 3.483 4.152 1.00 0.00 ? 67 SER A O 4 ATOM 5578 C CB . SER A 1 67 ? 3.550 5.693 6.506 1.00 0.00 ? 67 SER A CB 4 ATOM 5579 O OG . SER A 1 67 ? 2.813 6.709 5.849 1.00 0.00 ? 67 SER A OG 4 ATOM 5580 H H . SER A 1 67 ? 5.372 7.342 5.878 1.00 0.00 ? 67 SER A H 4 ATOM 5581 H HA . SER A 1 67 ? 5.380 4.606 6.277 1.00 0.00 ? 67 SER A HA 4 ATOM 5582 H HB2 . SER A 1 67 ? 2.920 4.824 6.620 1.00 0.00 ? 67 SER A HB2 4 ATOM 5583 H HB3 . SER A 1 67 ? 3.848 6.053 7.480 1.00 0.00 ? 67 SER A HB3 4 ATOM 5584 H HG . SER A 1 67 ? 1.880 6.481 5.853 1.00 0.00 ? 67 SER A HG 4 ATOM 5585 N N . HIS A 1 68 ? 3.731 5.434 3.530 1.00 0.00 ? 68 HIS A N 4 ATOM 5586 C CA . HIS A 1 68 ? 3.285 4.933 2.235 1.00 0.00 ? 68 HIS A CA 4 ATOM 5587 C C . HIS A 1 68 ? 4.319 3.986 1.634 1.00 0.00 ? 68 HIS A C 4 ATOM 5588 O O . HIS A 1 68 ? 3.979 3.092 0.859 1.00 0.00 ? 68 HIS A O 4 ATOM 5589 C CB . HIS A 1 68 ? 3.024 6.096 1.277 1.00 0.00 ? 68 HIS A CB 4 ATOM 5590 C CG . HIS A 1 68 ? 1.713 6.782 1.510 1.00 0.00 ? 68 HIS A CG 4 ATOM 5591 N ND1 . HIS A 1 68 ? 0.507 6.114 1.525 1.00 0.00 ? 68 HIS A ND1 4 ATOM 5592 C CD2 . HIS A 1 68 ? 1.424 8.084 1.741 1.00 0.00 ? 68 HIS A CD2 4 ATOM 5593 C CE1 . HIS A 1 68 ? -0.468 6.976 1.753 1.00 0.00 ? 68 HIS A CE1 4 ATOM 5594 N NE2 . HIS A 1 68 ? 0.062 8.178 1.888 1.00 0.00 ? 68 HIS A NE2 4 ATOM 5595 H H . HIS A 1 68 ? 3.541 6.364 3.774 1.00 0.00 ? 68 HIS A H 4 ATOM 5596 H HA . HIS A 1 68 ? 2.365 4.391 2.388 1.00 0.00 ? 68 HIS A HA 4 ATOM 5597 H HB2 . HIS A 1 68 ? 3.808 6.831 1.392 1.00 0.00 ? 68 HIS A HB2 4 ATOM 5598 H HB3 . HIS A 1 68 ? 3.030 5.726 0.262 1.00 0.00 ? 68 HIS A HB3 4 ATOM 5599 H HD1 . HIS A 1 68 ? 0.384 5.152 1.387 1.00 0.00 ? 68 HIS A HD1 4 ATOM 5600 H HD2 . HIS A 1 68 ? 2.132 8.898 1.799 1.00 0.00 ? 68 HIS A HD2 4 ATOM 5601 H HE1 . HIS A 1 68 ? -1.519 6.738 1.818 1.00 0.00 ? 68 HIS A HE1 4 ATOM 5602 H HE2 . HIS A 1 68 ? -0.445 9.011 1.979 1.00 0.00 ? 68 HIS A HE2 4 ATOM 5603 N N . MET A 1 69 ? 5.582 4.189 1.995 1.00 0.00 ? 69 MET A N 4 ATOM 5604 C CA . MET A 1 69 ? 6.664 3.352 1.491 1.00 0.00 ? 69 MET A CA 4 ATOM 5605 C C . MET A 1 69 ? 7.011 2.251 2.489 1.00 0.00 ? 69 MET A C 4 ATOM 5606 O O . MET A 1 69 ? 7.249 1.105 2.108 1.00 0.00 ? 69 MET A O 4 ATOM 5607 C CB . MET A 1 69 ? 7.903 4.202 1.202 1.00 0.00 ? 69 MET A CB 4 ATOM 5608 C CG . MET A 1 69 ? 7.872 4.878 -0.160 1.00 0.00 ? 69 MET A CG 4 ATOM 5609 S SD . MET A 1 69 ? 7.765 3.697 -1.518 1.00 0.00 ? 69 MET A SD 4 ATOM 5610 C CE . MET A 1 69 ? 9.207 2.683 -1.201 1.00 0.00 ? 69 MET A CE 4 ATOM 5611 H H . MET A 1 69 ? 5.791 4.918 2.616 1.00 0.00 ? 69 MET A H 4 ATOM 5612 H HA . MET A 1 69 ? 6.330 2.896 0.572 1.00 0.00 ? 69 MET A HA 4 ATOM 5613 H HB2 . MET A 1 69 ? 7.983 4.969 1.958 1.00 0.00 ? 69 MET A HB2 4 ATOM 5614 H HB3 . MET A 1 69 ? 8.778 3.571 1.246 1.00 0.00 ? 69 MET A HB3 4 ATOM 5615 H HG2 . MET A 1 69 ? 7.014 5.532 -0.203 1.00 0.00 ? 69 MET A HG2 4 ATOM 5616 H HG3 . MET A 1 69 ? 8.774 5.461 -0.277 1.00 0.00 ? 69 MET A HG3 4 ATOM 5617 H HE1 . MET A 1 69 ? 9.391 2.043 -2.050 1.00 0.00 ? 69 MET A HE1 4 ATOM 5618 H HE2 . MET A 1 69 ? 10.064 3.319 -1.036 1.00 0.00 ? 69 MET A HE2 4 ATOM 5619 H HE3 . MET A 1 69 ? 9.034 2.077 -0.323 1.00 0.00 ? 69 MET A HE3 4 ATOM 5620 N N . LYS A 1 70 ? 7.037 2.607 3.769 1.00 0.00 ? 70 LYS A N 4 ATOM 5621 C CA . LYS A 1 70 ? 7.353 1.650 4.823 1.00 0.00 ? 70 LYS A CA 4 ATOM 5622 C C . LYS A 1 70 ? 6.488 0.400 4.700 1.00 0.00 ? 70 LYS A C 4 ATOM 5623 O O . LYS A 1 70 ? 6.955 -0.714 4.936 1.00 0.00 ? 70 LYS A O 4 ATOM 5624 C CB . LYS A 1 70 ? 7.151 2.290 6.198 1.00 0.00 ? 70 LYS A CB 4 ATOM 5625 C CG . LYS A 1 70 ? 5.753 2.098 6.759 1.00 0.00 ? 70 LYS A CG 4 ATOM 5626 C CD . LYS A 1 70 ? 5.649 2.609 8.186 1.00 0.00 ? 70 LYS A CD 4 ATOM 5627 C CE . LYS A 1 70 ? 4.342 2.184 8.837 1.00 0.00 ? 70 LYS A CE 4 ATOM 5628 N NZ . LYS A 1 70 ? 4.226 2.690 10.232 1.00 0.00 ? 70 LYS A NZ 4 ATOM 5629 H H . LYS A 1 70 ? 6.839 3.536 4.011 1.00 0.00 ? 70 LYS A H 4 ATOM 5630 H HA . LYS A 1 70 ? 8.390 1.368 4.715 1.00 0.00 ? 70 LYS A HA 4 ATOM 5631 H HB2 . LYS A 1 70 ? 7.857 1.856 6.891 1.00 0.00 ? 70 LYS A HB2 4 ATOM 5632 H HB3 . LYS A 1 70 ? 7.343 3.350 6.120 1.00 0.00 ? 70 LYS A HB3 4 ATOM 5633 H HG2 . LYS A 1 70 ? 5.050 2.638 6.142 1.00 0.00 ? 70 LYS A HG2 4 ATOM 5634 H HG3 . LYS A 1 70 ? 5.511 1.044 6.745 1.00 0.00 ? 70 LYS A HG3 4 ATOM 5635 H HD2 . LYS A 1 70 ? 6.471 2.212 8.762 1.00 0.00 ? 70 LYS A HD2 4 ATOM 5636 H HD3 . LYS A 1 70 ? 5.702 3.689 8.177 1.00 0.00 ? 70 LYS A HD3 4 ATOM 5637 H HE2 . LYS A 1 70 ? 3.521 2.572 8.253 1.00 0.00 ? 70 LYS A HE2 4 ATOM 5638 H HE3 . LYS A 1 70 ? 4.296 1.105 8.849 1.00 0.00 ? 70 LYS A HE3 4 ATOM 5639 H HZ1 . LYS A 1 70 ? 3.228 2.713 10.522 1.00 0.00 ? 70 LYS A HZ1 4 ATOM 5640 H HZ2 . LYS A 1 70 ? 4.617 3.651 10.297 1.00 0.00 ? 70 LYS A HZ2 4 ATOM 5641 H HZ3 . LYS A 1 70 ? 4.751 2.070 10.882 1.00 0.00 ? 70 LYS A HZ3 4 ATOM 5642 N N . GLN A 1 71 ? 5.227 0.593 4.327 1.00 0.00 ? 71 GLN A N 4 ATOM 5643 C CA . GLN A 1 71 ? 4.298 -0.521 4.172 1.00 0.00 ? 71 GLN A CA 4 ATOM 5644 C C . GLN A 1 71 ? 4.594 -1.303 2.897 1.00 0.00 ? 71 GLN A C 4 ATOM 5645 O O . GLN A 1 71 ? 4.455 -2.526 2.860 1.00 0.00 ? 71 GLN A O 4 ATOM 5646 C CB . GLN A 1 71 ? 2.857 -0.010 4.149 1.00 0.00 ? 71 GLN A CB 4 ATOM 5647 C CG . GLN A 1 71 ? 2.229 0.104 5.529 1.00 0.00 ? 71 GLN A CG 4 ATOM 5648 C CD . GLN A 1 71 ? 1.920 -1.247 6.143 1.00 0.00 ? 71 GLN A CD 4 ATOM 5649 O OE1 . GLN A 1 71 ? 1.442 -2.156 5.464 1.00 0.00 ? 71 GLN A OE1 4 ATOM 5650 N NE2 . GLN A 1 71 ? 2.193 -1.387 7.435 1.00 0.00 ? 71 GLN A NE2 4 ATOM 5651 H H . GLN A 1 71 ? 4.914 1.504 4.153 1.00 0.00 ? 71 GLN A H 4 ATOM 5652 H HA . GLN A 1 71 ? 4.424 -1.177 5.020 1.00 0.00 ? 71 GLN A HA 4 ATOM 5653 H HB2 . GLN A 1 71 ? 2.840 0.966 3.688 1.00 0.00 ? 71 GLN A HB2 4 ATOM 5654 H HB3 . GLN A 1 71 ? 2.257 -0.688 3.560 1.00 0.00 ? 71 GLN A HB3 4 ATOM 5655 H HG2 . GLN A 1 71 ? 2.913 0.629 6.180 1.00 0.00 ? 71 GLN A HG2 4 ATOM 5656 H HG3 . GLN A 1 71 ? 1.310 0.665 5.447 1.00 0.00 ? 71 GLN A HG3 4 ATOM 5657 H HE21 . GLN A 1 71 ? 2.573 -0.620 7.913 1.00 0.00 ? 71 GLN A HE21 4 ATOM 5658 H HE22 . GLN A 1 71 ? 2.003 -2.250 7.858 1.00 0.00 ? 71 GLN A HE22 4 ATOM 5659 N N . LEU A 1 72 ? 5.001 -0.590 1.853 1.00 0.00 ? 72 LEU A N 4 ATOM 5660 C CA . LEU A 1 72 ? 5.316 -1.217 0.574 1.00 0.00 ? 72 LEU A CA 4 ATOM 5661 C C . LEU A 1 72 ? 6.425 -2.252 0.734 1.00 0.00 ? 72 LEU A C 4 ATOM 5662 O O . LEU A 1 72 ? 6.355 -3.345 0.170 1.00 0.00 ? 72 LEU A O 4 ATOM 5663 C CB . LEU A 1 72 ? 5.734 -0.157 -0.447 1.00 0.00 ? 72 LEU A CB 4 ATOM 5664 C CG . LEU A 1 72 ? 6.409 -0.678 -1.717 1.00 0.00 ? 72 LEU A CG 4 ATOM 5665 C CD1 . LEU A 1 72 ? 5.564 -1.766 -2.362 1.00 0.00 ? 72 LEU A CD1 4 ATOM 5666 C CD2 . LEU A 1 72 ? 6.654 0.461 -2.696 1.00 0.00 ? 72 LEU A CD2 4 ATOM 5667 H H . LEU A 1 72 ? 5.092 0.382 1.943 1.00 0.00 ? 72 LEU A H 4 ATOM 5668 H HA . LEU A 1 72 ? 4.424 -1.714 0.220 1.00 0.00 ? 72 LEU A HA 4 ATOM 5669 H HB2 . LEU A 1 72 ? 4.850 0.386 -0.741 1.00 0.00 ? 72 LEU A HB2 4 ATOM 5670 H HB3 . LEU A 1 72 ? 6.423 0.517 0.042 1.00 0.00 ? 72 LEU A HB3 4 ATOM 5671 H HG . LEU A 1 72 ? 7.366 -1.110 -1.458 1.00 0.00 ? 72 LEU A HG 4 ATOM 5672 H HD11 . LEU A 1 72 ? 5.334 -2.525 -1.630 1.00 0.00 ? 72 LEU A HD11 4 ATOM 5673 H HD12 . LEU A 1 72 ? 6.112 -2.209 -3.180 1.00 0.00 ? 72 LEU A HD12 4 ATOM 5674 H HD13 . LEU A 1 72 ? 4.646 -1.334 -2.735 1.00 0.00 ? 72 LEU A HD13 4 ATOM 5675 H HD21 . LEU A 1 72 ? 6.126 0.263 -3.617 1.00 0.00 ? 72 LEU A HD21 4 ATOM 5676 H HD22 . LEU A 1 72 ? 7.713 0.540 -2.897 1.00 0.00 ? 72 LEU A HD22 4 ATOM 5677 H HD23 . LEU A 1 72 ? 6.298 1.386 -2.268 1.00 0.00 ? 72 LEU A HD23 4 ATOM 5678 N N . LEU A 1 73 ? 7.446 -1.902 1.507 1.00 0.00 ? 73 LEU A N 4 ATOM 5679 C CA . LEU A 1 73 ? 8.570 -2.801 1.743 1.00 0.00 ? 73 LEU A CA 4 ATOM 5680 C C . LEU A 1 73 ? 8.184 -3.912 2.715 1.00 0.00 ? 73 LEU A C 4 ATOM 5681 O O . LEU A 1 73 ? 8.710 -5.024 2.644 1.00 0.00 ? 73 LEU A O 4 ATOM 5682 C CB . LEU A 1 73 ? 9.766 -2.022 2.293 1.00 0.00 ? 73 LEU A CB 4 ATOM 5683 C CG . LEU A 1 73 ? 9.995 -0.633 1.694 1.00 0.00 ? 73 LEU A CG 4 ATOM 5684 C CD1 . LEU A 1 73 ? 11.242 0.005 2.286 1.00 0.00 ? 73 LEU A CD1 4 ATOM 5685 C CD2 . LEU A 1 73 ? 10.105 -0.718 0.178 1.00 0.00 ? 73 LEU A CD2 4 ATOM 5686 H H . LEU A 1 73 ? 7.446 -1.018 1.929 1.00 0.00 ? 73 LEU A H 4 ATOM 5687 H HA . LEU A 1 73 ? 8.844 -3.245 0.798 1.00 0.00 ? 73 LEU A HA 4 ATOM 5688 H HB2 . LEU A 1 73 ? 9.624 -1.903 3.356 1.00 0.00 ? 73 LEU A HB2 4 ATOM 5689 H HB3 . LEU A 1 73 ? 10.655 -2.611 2.114 1.00 0.00 ? 73 LEU A HB3 4 ATOM 5690 H HG . LEU A 1 73 ? 9.151 -0.001 1.934 1.00 0.00 ? 73 LEU A HG 4 ATOM 5691 H HD11 . LEU A 1 73 ? 11.390 -0.360 3.291 1.00 0.00 ? 73 LEU A HD11 4 ATOM 5692 H HD12 . LEU A 1 73 ? 11.122 1.078 2.307 1.00 0.00 ? 73 LEU A HD12 4 ATOM 5693 H HD13 . LEU A 1 73 ? 12.099 -0.249 1.680 1.00 0.00 ? 73 LEU A HD13 4 ATOM 5694 H HD21 . LEU A 1 73 ? 10.029 0.273 -0.243 1.00 0.00 ? 73 LEU A HD21 4 ATOM 5695 H HD22 . LEU A 1 73 ? 9.306 -1.335 -0.207 1.00 0.00 ? 73 LEU A HD22 4 ATOM 5696 H HD23 . LEU A 1 73 ? 11.057 -1.151 -0.090 1.00 0.00 ? 73 LEU A HD23 4 ATOM 5697 N N . LEU A 1 74 ? 7.260 -3.605 3.619 1.00 0.00 ? 74 LEU A N 4 ATOM 5698 C CA . LEU A 1 74 ? 6.800 -4.579 4.603 1.00 0.00 ? 74 LEU A CA 4 ATOM 5699 C C . LEU A 1 74 ? 5.851 -5.589 3.968 1.00 0.00 ? 74 LEU A C 4 ATOM 5700 O O . LEU A 1 74 ? 5.810 -6.753 4.367 1.00 0.00 ? 74 LEU A O 4 ATOM 5701 C CB . LEU A 1 74 ? 6.104 -3.868 5.765 1.00 0.00 ? 74 LEU A CB 4 ATOM 5702 C CG . LEU A 1 74 ? 7.015 -3.351 6.879 1.00 0.00 ? 74 LEU A CG 4 ATOM 5703 C CD1 . LEU A 1 74 ? 6.240 -2.449 7.827 1.00 0.00 ? 74 LEU A CD1 4 ATOM 5704 C CD2 . LEU A 1 74 ? 7.642 -4.512 7.637 1.00 0.00 ? 74 LEU A CD2 4 ATOM 5705 H H . LEU A 1 74 ? 6.878 -2.703 3.625 1.00 0.00 ? 74 LEU A H 4 ATOM 5706 H HA . LEU A 1 74 ? 7.666 -5.103 4.980 1.00 0.00 ? 74 LEU A HA 4 ATOM 5707 H HB2 . LEU A 1 74 ? 5.565 -3.025 5.362 1.00 0.00 ? 74 LEU A HB2 4 ATOM 5708 H HB3 . LEU A 1 74 ? 5.404 -4.564 6.205 1.00 0.00 ? 74 LEU A HB3 4 ATOM 5709 H HG . LEU A 1 74 ? 7.813 -2.767 6.441 1.00 0.00 ? 74 LEU A HG 4 ATOM 5710 H HD11 . LEU A 1 74 ? 6.782 -2.354 8.756 1.00 0.00 ? 74 LEU A HD11 4 ATOM 5711 H HD12 . LEU A 1 74 ? 5.269 -2.880 8.020 1.00 0.00 ? 74 LEU A HD12 4 ATOM 5712 H HD13 . LEU A 1 74 ? 6.119 -1.474 7.378 1.00 0.00 ? 74 LEU A HD13 4 ATOM 5713 H HD21 . LEU A 1 74 ? 6.873 -5.049 8.173 1.00 0.00 ? 74 LEU A HD21 4 ATOM 5714 H HD22 . LEU A 1 74 ? 8.371 -4.132 8.339 1.00 0.00 ? 74 LEU A HD22 4 ATOM 5715 H HD23 . LEU A 1 74 ? 8.127 -5.178 6.939 1.00 0.00 ? 74 LEU A HD23 4 ATOM 5716 N N . ILE A 1 75 ? 5.091 -5.137 2.976 1.00 0.00 ? 75 ILE A N 4 ATOM 5717 C CA . ILE A 1 75 ? 4.144 -6.002 2.284 1.00 0.00 ? 75 ILE A CA 4 ATOM 5718 C C . ILE A 1 75 ? 4.860 -6.928 1.306 1.00 0.00 ? 75 ILE A C 4 ATOM 5719 O O . ILE A 1 75 ? 4.581 -8.126 1.253 1.00 0.00 ? 75 ILE A O 4 ATOM 5720 C CB . ILE A 1 75 ? 3.088 -5.183 1.518 1.00 0.00 ? 75 ILE A CB 4 ATOM 5721 C CG1 . ILE A 1 75 ? 2.178 -4.441 2.499 1.00 0.00 ? 75 ILE A CG1 4 ATOM 5722 C CG2 . ILE A 1 75 ? 2.271 -6.090 0.610 1.00 0.00 ? 75 ILE A CG2 4 ATOM 5723 C CD1 . ILE A 1 75 ? 1.364 -3.341 1.853 1.00 0.00 ? 75 ILE A CD1 4 ATOM 5724 H H . ILE A 1 75 ? 5.169 -4.199 2.704 1.00 0.00 ? 75 ILE A H 4 ATOM 5725 H HA . ILE A 1 75 ? 3.637 -6.602 3.026 1.00 0.00 ? 75 ILE A HA 4 ATOM 5726 H HB . ILE A 1 75 ? 3.602 -4.464 0.900 1.00 0.00 ? 75 ILE A HB 4 ATOM 5727 H HG12 . ILE A 1 75 ? 1.491 -5.143 2.944 1.00 0.00 ? 75 ILE A HG12 4 ATOM 5728 H HG13 . ILE A 1 75 ? 2.784 -3.995 3.274 1.00 0.00 ? 75 ILE A HG13 4 ATOM 5729 H HG21 . ILE A 1 75 ? 1.219 -5.903 0.767 1.00 0.00 ? 75 ILE A HG21 4 ATOM 5730 H HG22 . ILE A 1 75 ? 2.522 -5.888 -0.420 1.00 0.00 ? 75 ILE A HG22 4 ATOM 5731 H HG23 . ILE A 1 75 ? 2.491 -7.122 0.839 1.00 0.00 ? 75 ILE A HG23 4 ATOM 5732 H HD11 . ILE A 1 75 ? 0.544 -3.776 1.301 1.00 0.00 ? 75 ILE A HD11 4 ATOM 5733 H HD12 . ILE A 1 75 ? 0.977 -2.684 2.617 1.00 0.00 ? 75 ILE A HD12 4 ATOM 5734 H HD13 . ILE A 1 75 ? 1.993 -2.778 1.179 1.00 0.00 ? 75 ILE A HD13 4 ATOM 5735 N N . GLN A 1 76 ? 5.785 -6.365 0.536 1.00 0.00 ? 76 GLN A N 4 ATOM 5736 C CA . GLN A 1 76 ? 6.542 -7.141 -0.440 1.00 0.00 ? 76 GLN A CA 4 ATOM 5737 C C . GLN A 1 76 ? 7.188 -8.357 0.216 1.00 0.00 ? 76 GLN A C 4 ATOM 5738 O O . GLN A 1 76 ? 7.213 -9.444 -0.361 1.00 0.00 ? 76 GLN A O 4 ATOM 5739 C CB . GLN A 1 76 ? 7.615 -6.269 -1.094 1.00 0.00 ? 76 GLN A CB 4 ATOM 5740 C CG . GLN A 1 76 ? 7.083 -5.382 -2.208 1.00 0.00 ? 76 GLN A CG 4 ATOM 5741 C CD . GLN A 1 76 ? 8.188 -4.774 -3.049 1.00 0.00 ? 76 GLN A CD 4 ATOM 5742 O OE1 . GLN A 1 76 ? 8.656 -5.382 -4.012 1.00 0.00 ? 76 GLN A OE1 4 ATOM 5743 N NE2 . GLN A 1 76 ? 8.611 -3.568 -2.689 1.00 0.00 ? 76 GLN A NE2 4 ATOM 5744 H H . GLN A 1 76 ? 5.963 -5.406 0.625 1.00 0.00 ? 76 GLN A H 4 ATOM 5745 H HA . GLN A 1 76 ? 5.854 -7.480 -1.199 1.00 0.00 ? 76 GLN A HA 4 ATOM 5746 H HB2 . GLN A 1 76 ? 8.058 -5.637 -0.340 1.00 0.00 ? 76 GLN A HB2 4 ATOM 5747 H HB3 . GLN A 1 76 ? 8.379 -6.910 -1.509 1.00 0.00 ? 76 GLN A HB3 4 ATOM 5748 H HG2 . GLN A 1 76 ? 6.448 -5.975 -2.850 1.00 0.00 ? 76 GLN A HG2 4 ATOM 5749 H HG3 . GLN A 1 76 ? 6.503 -4.584 -1.769 1.00 0.00 ? 76 GLN A HG3 4 ATOM 5750 H HE21 . GLN A 1 76 ? 8.192 -3.145 -1.909 1.00 0.00 ? 76 GLN A HE21 4 ATOM 5751 H HE22 . GLN A 1 76 ? 9.325 -3.152 -3.214 1.00 0.00 ? 76 GLN A HE22 4 ATOM 5752 N N . GLU A 1 77 ? 7.710 -8.165 1.423 1.00 0.00 ? 77 GLU A N 4 ATOM 5753 C CA . GLU A 1 77 ? 8.358 -9.248 2.155 1.00 0.00 ? 77 GLU A CA 4 ATOM 5754 C C . GLU A 1 77 ? 7.326 -10.240 2.685 1.00 0.00 ? 77 GLU A C 4 ATOM 5755 O O . GLU A 1 77 ? 7.547 -11.451 2.666 1.00 0.00 ? 77 GLU A O 4 ATOM 5756 C CB . GLU A 1 77 ? 9.183 -8.686 3.315 1.00 0.00 ? 77 GLU A CB 4 ATOM 5757 C CG . GLU A 1 77 ? 8.374 -7.843 4.286 1.00 0.00 ? 77 GLU A CG 4 ATOM 5758 C CD . GLU A 1 77 ? 9.217 -7.287 5.418 1.00 0.00 ? 77 GLU A CD 4 ATOM 5759 O OE1 . GLU A 1 77 ? 10.042 -6.387 5.157 1.00 0.00 ? 77 GLU A OE1 4 ATOM 5760 O OE2 . GLU A 1 77 ? 9.050 -7.752 6.565 1.00 0.00 ? 77 GLU A OE2 4 ATOM 5761 H H . GLU A 1 77 ? 7.659 -7.276 1.831 1.00 0.00 ? 77 GLU A H 4 ATOM 5762 H HA . GLU A 1 77 ? 9.017 -9.762 1.473 1.00 0.00 ? 77 GLU A HA 4 ATOM 5763 H HB2 . GLU A 1 77 ? 9.620 -9.509 3.862 1.00 0.00 ? 77 GLU A HB2 4 ATOM 5764 H HB3 . GLU A 1 77 ? 9.976 -8.073 2.912 1.00 0.00 ? 77 GLU A HB3 4 ATOM 5765 H HG2 . GLU A 1 77 ? 7.935 -7.017 3.746 1.00 0.00 ? 77 GLU A HG2 4 ATOM 5766 H HG3 . GLU A 1 77 ? 7.590 -8.454 4.707 1.00 0.00 ? 77 GLU A HG3 4 ATOM 5767 N N . ARG A 1 78 ? 6.199 -9.717 3.157 1.00 0.00 ? 78 ARG A N 4 ATOM 5768 C CA . ARG A 1 78 ? 5.134 -10.555 3.693 1.00 0.00 ? 78 ARG A CA 4 ATOM 5769 C C . ARG A 1 78 ? 4.564 -11.468 2.612 1.00 0.00 ? 78 ARG A C 4 ATOM 5770 O O . ARG A 1 78 ? 3.998 -12.521 2.909 1.00 0.00 ? 78 ARG A O 4 ATOM 5771 C CB . ARG A 1 78 ? 4.020 -9.687 4.282 1.00 0.00 ? 78 ARG A CB 4 ATOM 5772 C CG . ARG A 1 78 ? 4.399 -9.017 5.593 1.00 0.00 ? 78 ARG A CG 4 ATOM 5773 C CD . ARG A 1 78 ? 4.384 -10.006 6.749 1.00 0.00 ? 78 ARG A CD 4 ATOM 5774 N NE . ARG A 1 78 ? 3.061 -10.118 7.356 1.00 0.00 ? 78 ARG A NE 4 ATOM 5775 C CZ . ARG A 1 78 ? 2.463 -9.123 8.003 1.00 0.00 ? 78 ARG A CZ 4 ATOM 5776 N NH1 . ARG A 1 78 ? 3.066 -7.949 8.124 1.00 0.00 ? 78 ARG A NH1 4 ATOM 5777 N NH2 . ARG A 1 78 ? 1.258 -9.302 8.529 1.00 0.00 ? 78 ARG A NH2 4 ATOM 5778 H H . ARG A 1 78 ? 6.081 -8.744 3.145 1.00 0.00 ? 78 ARG A H 4 ATOM 5779 H HA . ARG A 1 78 ? 5.555 -11.166 4.478 1.00 0.00 ? 78 ARG A HA 4 ATOM 5780 H HB2 . ARG A 1 78 ? 3.766 -8.916 3.570 1.00 0.00 ? 78 ARG A HB2 4 ATOM 5781 H HB3 . ARG A 1 78 ? 3.153 -10.306 4.457 1.00 0.00 ? 78 ARG A HB3 4 ATOM 5782 H HG2 . ARG A 1 78 ? 5.392 -8.603 5.501 1.00 0.00 ? 78 ARG A HG2 4 ATOM 5783 H HG3 . ARG A 1 78 ? 3.694 -8.226 5.798 1.00 0.00 ? 78 ARG A HG3 4 ATOM 5784 H HD2 . ARG A 1 78 ? 4.683 -10.975 6.379 1.00 0.00 ? 78 ARG A HD2 4 ATOM 5785 H HD3 . ARG A 1 78 ? 5.088 -9.673 7.498 1.00 0.00 ? 78 ARG A HD3 4 ATOM 5786 H HE . ARG A 1 78 ? 2.597 -10.977 7.278 1.00 0.00 ? 78 ARG A HE 4 ATOM 5787 H HH11 . ARG A 1 78 ? 3.974 -7.811 7.728 1.00 0.00 ? 78 ARG A HH11 4 ATOM 5788 H HH12 . ARG A 1 78 ? 2.613 -7.201 8.610 1.00 0.00 ? 78 ARG A HH12 4 ATOM 5789 H HH21 . ARG A 1 78 ? 0.799 -10.186 8.439 1.00 0.00 ? 78 ARG A HH21 4 ATOM 5790 H HH22 . ARG A 1 78 ? 0.808 -8.554 9.015 1.00 0.00 ? 78 ARG A HH22 4 ATOM 5791 N N . TRP A 1 79 ? 4.716 -11.058 1.358 1.00 0.00 ? 79 TRP A N 4 ATOM 5792 C CA . TRP A 1 79 ? 4.216 -11.839 0.232 1.00 0.00 ? 79 TRP A CA 4 ATOM 5793 C C . TRP A 1 79 ? 5.153 -12.999 -0.084 1.00 0.00 ? 79 TRP A C 4 ATOM 5794 O O . TRP A 1 79 ? 4.778 -14.165 0.042 1.00 0.00 ? 79 TRP A O 4 ATOM 5795 C CB . TRP A 1 79 ? 4.052 -10.948 -1.000 1.00 0.00 ? 79 TRP A CB 4 ATOM 5796 C CG . TRP A 1 79 ? 3.286 -11.603 -2.109 1.00 0.00 ? 79 TRP A CG 4 ATOM 5797 C CD1 . TRP A 1 79 ? 2.419 -12.652 -1.998 1.00 0.00 ? 79 TRP A CD1 4 ATOM 5798 C CD2 . TRP A 1 79 ? 3.319 -11.253 -3.497 1.00 0.00 ? 79 TRP A CD2 4 ATOM 5799 N NE1 . TRP A 1 79 ? 1.912 -12.976 -3.233 1.00 0.00 ? 79 TRP A NE1 4 ATOM 5800 C CE2 . TRP A 1 79 ? 2.448 -12.132 -4.169 1.00 0.00 ? 79 TRP A CE2 4 ATOM 5801 C CE3 . TRP A 1 79 ? 3.999 -10.282 -4.237 1.00 0.00 ? 79 TRP A CE3 4 ATOM 5802 C CZ2 . TRP A 1 79 ? 2.241 -12.067 -5.545 1.00 0.00 ? 79 TRP A CZ2 4 ATOM 5803 C CZ3 . TRP A 1 79 ? 3.793 -10.219 -5.602 1.00 0.00 ? 79 TRP A CZ3 4 ATOM 5804 C CH2 . TRP A 1 79 ? 2.919 -11.106 -6.244 1.00 0.00 ? 79 TRP A CH2 4 ATOM 5805 H H . TRP A 1 79 ? 5.176 -10.209 1.185 1.00 0.00 ? 79 TRP A H 4 ATOM 5806 H HA . TRP A 1 79 ? 3.250 -12.236 0.509 1.00 0.00 ? 79 TRP A HA 4 ATOM 5807 H HB2 . TRP A 1 79 ? 3.527 -10.047 -0.719 1.00 0.00 ? 79 TRP A HB2 4 ATOM 5808 H HB3 . TRP A 1 79 ? 5.030 -10.687 -1.378 1.00 0.00 ? 79 TRP A HB3 4 ATOM 5809 H HD1 . TRP A 1 79 ? 2.179 -13.147 -1.069 1.00 0.00 ? 79 TRP A HD1 4 ATOM 5810 H HE1 . TRP A 1 79 ? 1.269 -13.694 -3.414 1.00 0.00 ? 79 TRP A HE1 4 ATOM 5811 H HE3 . TRP A 1 79 ? 4.676 -9.589 -3.760 1.00 0.00 ? 79 TRP A HE3 4 ATOM 5812 H HZ2 . TRP A 1 79 ? 1.570 -12.743 -6.054 1.00 0.00 ? 79 TRP A HZ2 4 ATOM 5813 H HZ3 . TRP A 1 79 ? 4.310 -9.475 -6.190 1.00 0.00 ? 79 TRP A HZ3 4 ATOM 5814 H HH2 . TRP A 1 79 ? 2.789 -11.021 -7.312 1.00 0.00 ? 79 TRP A HH2 4 ATOM 5815 N N . LYS A 1 80 ? 6.373 -12.673 -0.497 1.00 0.00 ? 80 LYS A N 4 ATOM 5816 C CA . LYS A 1 80 ? 7.365 -13.688 -0.830 1.00 0.00 ? 80 LYS A CA 4 ATOM 5817 C C . LYS A 1 80 ? 7.387 -14.793 0.220 1.00 0.00 ? 80 LYS A C 4 ATOM 5818 O O . LYS A 1 80 ? 7.801 -15.919 -0.058 1.00 0.00 ? 80 LYS A O 4 ATOM 5819 C CB . LYS A 1 80 ? 8.753 -13.054 -0.949 1.00 0.00 ? 80 LYS A CB 4 ATOM 5820 C CG . LYS A 1 80 ? 9.367 -12.679 0.389 1.00 0.00 ? 80 LYS A CG 4 ATOM 5821 C CD . LYS A 1 80 ? 10.848 -12.369 0.256 1.00 0.00 ? 80 LYS A CD 4 ATOM 5822 C CE . LYS A 1 80 ? 11.432 -11.863 1.566 1.00 0.00 ? 80 LYS A CE 4 ATOM 5823 N NZ . LYS A 1 80 ? 11.747 -12.979 2.500 1.00 0.00 ? 80 LYS A NZ 4 ATOM 5824 H H . LYS A 1 80 ? 6.613 -11.725 -0.578 1.00 0.00 ? 80 LYS A H 4 ATOM 5825 H HA . LYS A 1 80 ? 7.093 -14.118 -1.782 1.00 0.00 ? 80 LYS A HA 4 ATOM 5826 H HB2 . LYS A 1 80 ? 9.414 -13.753 -1.441 1.00 0.00 ? 80 LYS A HB2 4 ATOM 5827 H HB3 . LYS A 1 80 ? 8.677 -12.160 -1.550 1.00 0.00 ? 80 LYS A HB3 4 ATOM 5828 H HG2 . LYS A 1 80 ? 8.861 -11.806 0.774 1.00 0.00 ? 80 LYS A HG2 4 ATOM 5829 H HG3 . LYS A 1 80 ? 9.241 -13.503 1.076 1.00 0.00 ? 80 LYS A HG3 4 ATOM 5830 H HD2 . LYS A 1 80 ? 11.371 -13.268 -0.035 1.00 0.00 ? 80 LYS A HD2 4 ATOM 5831 H HD3 . LYS A 1 80 ? 10.982 -11.611 -0.504 1.00 0.00 ? 80 LYS A HD3 4 ATOM 5832 H HE2 . LYS A 1 80 ? 12.337 -11.316 1.354 1.00 0.00 ? 80 LYS A HE2 4 ATOM 5833 H HE3 . LYS A 1 80 ? 10.715 -11.205 2.034 1.00 0.00 ? 80 LYS A HE3 4 ATOM 5834 H HZ1 . LYS A 1 80 ? 12.025 -12.600 3.428 1.00 0.00 ? 80 LYS A HZ1 4 ATOM 5835 H HZ2 . LYS A 1 80 ? 12.529 -13.551 2.123 1.00 0.00 ? 80 LYS A HZ2 4 ATOM 5836 H HZ3 . LYS A 1 80 ? 10.914 -13.589 2.622 1.00 0.00 ? 80 LYS A HZ3 4 ATOM 5837 N N . ARG A 1 81 ? 6.939 -14.465 1.428 1.00 0.00 ? 81 ARG A N 4 ATOM 5838 C CA . ARG A 1 81 ? 6.907 -15.430 2.520 1.00 0.00 ? 81 ARG A CA 4 ATOM 5839 C C . ARG A 1 81 ? 5.664 -16.310 2.432 1.00 0.00 ? 81 ARG A C 4 ATOM 5840 O O . ARG A 1 81 ? 5.753 -17.536 2.491 1.00 0.00 ? 81 ARG A O 4 ATOM 5841 C CB . ARG A 1 81 ? 6.940 -14.709 3.868 1.00 0.00 ? 81 ARG A CB 4 ATOM 5842 C CG . ARG A 1 81 ? 8.307 -14.148 4.226 1.00 0.00 ? 81 ARG A CG 4 ATOM 5843 C CD . ARG A 1 81 ? 8.249 -13.302 5.488 1.00 0.00 ? 81 ARG A CD 4 ATOM 5844 N NE . ARG A 1 81 ? 8.353 -14.115 6.697 1.00 0.00 ? 81 ARG A NE 4 ATOM 5845 C CZ . ARG A 1 81 ? 8.377 -13.607 7.924 1.00 0.00 ? 81 ARG A CZ 4 ATOM 5846 N NH1 . ARG A 1 81 ? 8.305 -12.295 8.104 1.00 0.00 ? 81 ARG A NH1 4 ATOM 5847 N NH2 . ARG A 1 81 ? 8.474 -14.411 8.975 1.00 0.00 ? 81 ARG A NH2 4 ATOM 5848 H H . ARG A 1 81 ? 6.623 -13.551 1.588 1.00 0.00 ? 81 ARG A H 4 ATOM 5849 H HA . ARG A 1 81 ? 7.783 -16.056 2.435 1.00 0.00 ? 81 ARG A HA 4 ATOM 5850 H HB2 . ARG A 1 81 ? 6.236 -13.890 3.842 1.00 0.00 ? 81 ARG A HB2 4 ATOM 5851 H HB3 . ARG A 1 81 ? 6.646 -15.402 4.641 1.00 0.00 ? 81 ARG A HB3 4 ATOM 5852 H HG2 . ARG A 1 81 ? 8.991 -14.968 4.386 1.00 0.00 ? 81 ARG A HG2 4 ATOM 5853 H HG3 . ARG A 1 81 ? 8.660 -13.537 3.408 1.00 0.00 ? 81 ARG A HG3 4 ATOM 5854 H HD2 . ARG A 1 81 ? 9.066 -12.596 5.469 1.00 0.00 ? 81 ARG A HD2 4 ATOM 5855 H HD3 . ARG A 1 81 ? 7.311 -12.767 5.504 1.00 0.00 ? 81 ARG A HD3 4 ATOM 5856 H HE . ARG A 1 81 ? 8.408 -15.086 6.587 1.00 0.00 ? 81 ARG A HE 4 ATOM 5857 H HH11 . ARG A 1 81 ? 8.231 -11.686 7.314 1.00 0.00 ? 81 ARG A HH11 4 ATOM 5858 H HH12 . ARG A 1 81 ? 8.322 -11.915 9.029 1.00 0.00 ? 81 ARG A HH12 4 ATOM 5859 H HH21 . ARG A 1 81 ? 8.528 -15.401 8.843 1.00 0.00 ? 81 ARG A HH21 4 ATOM 5860 H HH22 . ARG A 1 81 ? 8.492 -14.028 9.898 1.00 0.00 ? 81 ARG A HH22 4 ATOM 5861 N N . ALA A 1 82 ? 4.505 -15.675 2.291 1.00 0.00 ? 82 ALA A N 4 ATOM 5862 C CA . ALA A 1 82 ? 3.244 -16.400 2.193 1.00 0.00 ? 82 ALA A CA 4 ATOM 5863 C C . ALA A 1 82 ? 3.299 -17.452 1.091 1.00 0.00 ? 82 ALA A C 4 ATOM 5864 O O . ALA A 1 82 ? 2.476 -18.366 1.049 1.00 0.00 ? 82 ALA A O 4 ATOM 5865 C CB . ALA A 1 82 ? 2.097 -15.432 1.944 1.00 0.00 ? 82 ALA A CB 4 ATOM 5866 H H . ALA A 1 82 ? 4.498 -14.696 2.250 1.00 0.00 ? 82 ALA A H 4 ATOM 5867 H HA . ALA A 1 82 ? 3.068 -16.892 3.139 1.00 0.00 ? 82 ALA A HA 4 ATOM 5868 H HB1 . ALA A 1 82 ? 2.372 -14.450 2.301 1.00 0.00 ? 82 ALA A HB1 4 ATOM 5869 H HB2 . ALA A 1 82 ? 1.888 -15.385 0.886 1.00 0.00 ? 82 ALA A HB2 4 ATOM 5870 H HB3 . ALA A 1 82 ? 1.218 -15.773 2.470 1.00 0.00 ? 82 ALA A HB3 4 ATOM 5871 N N . LYS A 1 83 ? 4.275 -17.317 0.199 1.00 0.00 ? 83 LYS A N 4 ATOM 5872 C CA . LYS A 1 83 ? 4.438 -18.256 -0.905 1.00 0.00 ? 83 LYS A CA 4 ATOM 5873 C C . LYS A 1 83 ? 4.932 -19.608 -0.399 1.00 0.00 ? 83 LYS A C 4 ATOM 5874 O O . LYS A 1 83 ? 4.578 -20.653 -0.947 1.00 0.00 ? 83 LYS A O 4 ATOM 5875 C CB . LYS A 1 83 ? 5.420 -17.696 -1.936 1.00 0.00 ? 83 LYS A CB 4 ATOM 5876 C CG . LYS A 1 83 ? 4.995 -16.358 -2.517 1.00 0.00 ? 83 LYS A CG 4 ATOM 5877 C CD . LYS A 1 83 ? 3.910 -16.526 -3.567 1.00 0.00 ? 83 LYS A CD 4 ATOM 5878 C CE . LYS A 1 83 ? 3.978 -15.429 -4.619 1.00 0.00 ? 83 LYS A CE 4 ATOM 5879 N NZ . LYS A 1 83 ? 3.367 -15.858 -5.907 1.00 0.00 ? 83 LYS A NZ 4 ATOM 5880 H H . LYS A 1 83 ? 4.901 -16.567 0.285 1.00 0.00 ? 83 LYS A H 4 ATOM 5881 H HA . LYS A 1 83 ? 3.475 -18.390 -1.372 1.00 0.00 ? 83 LYS A HA 4 ATOM 5882 H HB2 . LYS A 1 83 ? 6.385 -17.571 -1.467 1.00 0.00 ? 83 LYS A HB2 4 ATOM 5883 H HB3 . LYS A 1 83 ? 5.513 -18.404 -2.748 1.00 0.00 ? 83 LYS A HB3 4 ATOM 5884 H HG2 . LYS A 1 83 ? 4.618 -15.734 -1.721 1.00 0.00 ? 83 LYS A HG2 4 ATOM 5885 H HG3 . LYS A 1 83 ? 5.854 -15.885 -2.972 1.00 0.00 ? 83 LYS A HG3 4 ATOM 5886 H HD2 . LYS A 1 83 ? 4.034 -17.483 -4.052 1.00 0.00 ? 83 LYS A HD2 4 ATOM 5887 H HD3 . LYS A 1 83 ? 2.944 -16.488 -3.083 1.00 0.00 ? 83 LYS A HD3 4 ATOM 5888 H HE2 . LYS A 1 83 ? 3.451 -14.562 -4.251 1.00 0.00 ? 83 LYS A HE2 4 ATOM 5889 H HE3 . LYS A 1 83 ? 5.014 -15.176 -4.788 1.00 0.00 ? 83 LYS A HE3 4 ATOM 5890 H HZ1 . LYS A 1 83 ? 2.786 -15.090 -6.300 1.00 0.00 ? 83 LYS A HZ1 4 ATOM 5891 H HZ2 . LYS A 1 83 ? 2.764 -16.692 -5.757 1.00 0.00 ? 83 LYS A HZ2 4 ATOM 5892 H HZ3 . LYS A 1 83 ? 4.111 -16.101 -6.593 1.00 0.00 ? 83 LYS A HZ3 4 ATOM 5893 N N . ARG A 1 84 ? 5.749 -19.581 0.648 1.00 0.00 ? 84 ARG A N 4 ATOM 5894 C CA . ARG A 1 84 ? 6.291 -20.805 1.227 1.00 0.00 ? 84 ARG A CA 4 ATOM 5895 C C . ARG A 1 84 ? 5.393 -21.319 2.349 1.00 0.00 ? 84 ARG A C 4 ATOM 5896 O O . ARG A 1 84 ? 5.159 -22.521 2.467 1.00 0.00 ? 84 ARG A O 4 ATOM 5897 C CB . ARG A 1 84 ? 7.703 -20.561 1.760 1.00 0.00 ? 84 ARG A CB 4 ATOM 5898 C CG . ARG A 1 84 ? 7.844 -19.264 2.541 1.00 0.00 ? 84 ARG A CG 4 ATOM 5899 C CD . ARG A 1 84 ? 9.211 -19.156 3.198 1.00 0.00 ? 84 ARG A CD 4 ATOM 5900 N NE . ARG A 1 84 ? 9.310 -19.986 4.396 1.00 0.00 ? 84 ARG A NE 4 ATOM 5901 C CZ . ARG A 1 84 ? 10.334 -19.938 5.240 1.00 0.00 ? 84 ARG A CZ 4 ATOM 5902 N NH1 . ARG A 1 84 ? 11.341 -19.104 5.020 1.00 0.00 ? 84 ARG A NH1 4 ATOM 5903 N NH2 . ARG A 1 84 ? 10.352 -20.725 6.308 1.00 0.00 ? 84 ARG A NH2 4 ATOM 5904 H H . ARG A 1 84 ? 5.995 -18.717 1.041 1.00 0.00 ? 84 ARG A H 4 ATOM 5905 H HA . ARG A 1 84 ? 6.334 -21.550 0.447 1.00 0.00 ? 84 ARG A HA 4 ATOM 5906 H HB2 . ARG A 1 84 ? 7.976 -21.379 2.411 1.00 0.00 ? 84 ARG A HB2 4 ATOM 5907 H HB3 . ARG A 1 84 ? 8.389 -20.530 0.927 1.00 0.00 ? 84 ARG A HB3 4 ATOM 5908 H HG2 . ARG A 1 84 ? 7.715 -18.432 1.865 1.00 0.00 ? 84 ARG A HG2 4 ATOM 5909 H HG3 . ARG A 1 84 ? 7.082 -19.232 3.306 1.00 0.00 ? 84 ARG A HG3 4 ATOM 5910 H HD2 . ARG A 1 84 ? 9.962 -19.471 2.490 1.00 0.00 ? 84 ARG A HD2 4 ATOM 5911 H HD3 . ARG A 1 84 ? 9.383 -18.125 3.471 1.00 0.00 ? 84 ARG A HD3 4 ATOM 5912 H HE . ARG A 1 84 ? 8.577 -20.609 4.578 1.00 0.00 ? 84 ARG A HE 4 ATOM 5913 H HH11 . ARG A 1 84 ? 11.330 -18.509 4.217 1.00 0.00 ? 84 ARG A HH11 4 ATOM 5914 H HH12 . ARG A 1 84 ? 12.111 -19.069 5.658 1.00 0.00 ? 84 ARG A HH12 4 ATOM 5915 H HH21 . ARG A 1 84 ? 9.595 -21.355 6.478 1.00 0.00 ? 84 ARG A HH21 4 ATOM 5916 H HH22 . ARG A 1 84 ? 11.124 -20.689 6.943 1.00 0.00 ? 84 ARG A HH22 4 ATOM 5917 N N . GLU A 1 85 ? 4.896 -20.399 3.170 1.00 0.00 ? 85 GLU A N 4 ATOM 5918 C CA . GLU A 1 85 ? 4.026 -20.760 4.283 1.00 0.00 ? 85 GLU A CA 4 ATOM 5919 C C . GLU A 1 85 ? 2.786 -21.500 3.787 1.00 0.00 ? 85 GLU A C 4 ATOM 5920 O O . GLU A 1 85 ? 2.154 -22.243 4.537 1.00 0.00 ? 85 GLU A O 4 ATOM 5921 C CB . GLU A 1 85 ? 3.609 -19.510 5.060 1.00 0.00 ? 85 GLU A CB 4 ATOM 5922 C CG . GLU A 1 85 ? 4.745 -18.524 5.282 1.00 0.00 ? 85 GLU A CG 4 ATOM 5923 C CD . GLU A 1 85 ? 4.579 -17.719 6.556 1.00 0.00 ? 85 GLU A CD 4 ATOM 5924 O OE1 . GLU A 1 85 ? 3.836 -18.172 7.452 1.00 0.00 ? 85 GLU A OE1 4 ATOM 5925 O OE2 . GLU A 1 85 ? 5.192 -16.636 6.657 1.00 0.00 ? 85 GLU A OE2 4 ATOM 5926 H H . GLU A 1 85 ? 5.119 -19.456 3.024 1.00 0.00 ? 85 GLU A H 4 ATOM 5927 H HA . GLU A 1 85 ? 4.581 -21.413 4.940 1.00 0.00 ? 85 GLU A HA 4 ATOM 5928 H HB2 . GLU A 1 85 ? 2.824 -19.006 4.516 1.00 0.00 ? 85 GLU A HB2 4 ATOM 5929 H HB3 . GLU A 1 85 ? 3.229 -19.811 6.025 1.00 0.00 ? 85 GLU A HB3 4 ATOM 5930 H HG2 . GLU A 1 85 ? 5.674 -19.072 5.339 1.00 0.00 ? 85 GLU A HG2 4 ATOM 5931 H HG3 . GLU A 1 85 ? 4.781 -17.843 4.445 1.00 0.00 ? 85 GLU A HG3 4 ATOM 5932 N N . GLU A 1 86 ? 2.446 -21.289 2.519 1.00 0.00 ? 86 GLU A N 4 ATOM 5933 C CA . GLU A 1 86 ? 1.282 -21.935 1.924 1.00 0.00 ? 86 GLU A CA 4 ATOM 5934 C C . GLU A 1 86 ? 1.673 -23.248 1.252 1.00 0.00 ? 86 GLU A C 4 ATOM 5935 O O . GLU A 1 86 ? 0.987 -24.260 1.397 1.00 0.00 ? 86 GLU A O 4 ATOM 5936 C CB . GLU A 1 86 ? 0.621 -21.005 0.905 1.00 0.00 ? 86 GLU A CB 4 ATOM 5937 C CG . GLU A 1 86 ? -0.437 -21.688 0.055 1.00 0.00 ? 86 GLU A CG 4 ATOM 5938 C CD . GLU A 1 86 ? -1.792 -21.732 0.734 1.00 0.00 ? 86 GLU A CD 4 ATOM 5939 O OE1 . GLU A 1 86 ? -2.345 -20.650 1.024 1.00 0.00 ? 86 GLU A OE1 4 ATOM 5940 O OE2 . GLU A 1 86 ? -2.299 -22.847 0.976 1.00 0.00 ? 86 GLU A OE2 4 ATOM 5941 H H . GLU A 1 86 ? 2.990 -20.685 1.972 1.00 0.00 ? 86 GLU A H 4 ATOM 5942 H HA . GLU A 1 86 ? 0.579 -22.145 2.715 1.00 0.00 ? 86 GLU A HA 4 ATOM 5943 H HB2 . GLU A 1 86 ? 0.156 -20.185 1.432 1.00 0.00 ? 86 GLU A HB2 4 ATOM 5944 H HB3 . GLU A 1 86 ? 1.382 -20.612 0.247 1.00 0.00 ? 86 GLU A HB3 4 ATOM 5945 H HG2 . GLU A 1 86 ? -0.536 -21.149 -0.876 1.00 0.00 ? 86 GLU A HG2 4 ATOM 5946 H HG3 . GLU A 1 86 ? -0.120 -22.700 -0.148 1.00 0.00 ? 86 GLU A HG3 4 ATOM 5947 N N . ARG A 1 87 ? 2.779 -23.223 0.516 1.00 0.00 ? 87 ARG A N 4 ATOM 5948 C CA . ARG A 1 87 ? 3.261 -24.410 -0.180 1.00 0.00 ? 87 ARG A CA 4 ATOM 5949 C C . ARG A 1 87 ? 3.712 -25.478 0.813 1.00 0.00 ? 87 ARG A C 4 ATOM 5950 O O . ARG A 1 87 ? 3.641 -26.674 0.530 1.00 0.00 ? 87 ARG A O 4 ATOM 5951 C CB . ARG A 1 87 ? 4.416 -24.046 -1.114 1.00 0.00 ? 87 ARG A CB 4 ATOM 5952 C CG . ARG A 1 87 ? 3.972 -23.348 -2.389 1.00 0.00 ? 87 ARG A CG 4 ATOM 5953 C CD . ARG A 1 87 ? 3.029 -24.221 -3.202 1.00 0.00 ? 87 ARG A CD 4 ATOM 5954 N NE . ARG A 1 87 ? 3.054 -23.879 -4.622 1.00 0.00 ? 87 ARG A NE 4 ATOM 5955 C CZ . ARG A 1 87 ? 4.106 -24.081 -5.408 1.00 0.00 ? 87 ARG A CZ 4 ATOM 5956 N NH1 . ARG A 1 87 ? 5.212 -24.621 -4.915 1.00 0.00 ? 87 ARG A NH1 4 ATOM 5957 N NH2 . ARG A 1 87 ? 4.052 -23.744 -6.690 1.00 0.00 ? 87 ARG A NH2 4 ATOM 5958 H H . ARG A 1 87 ? 3.283 -22.387 0.438 1.00 0.00 ? 87 ARG A H 4 ATOM 5959 H HA . ARG A 1 87 ? 2.445 -24.804 -0.768 1.00 0.00 ? 87 ARG A HA 4 ATOM 5960 H HB2 . ARG A 1 87 ? 5.096 -23.391 -0.589 1.00 0.00 ? 87 ARG A HB2 4 ATOM 5961 H HB3 . ARG A 1 87 ? 4.940 -24.950 -1.388 1.00 0.00 ? 87 ARG A HB3 4 ATOM 5962 H HG2 . ARG A 1 87 ? 3.463 -22.432 -2.129 1.00 0.00 ? 87 ARG A HG2 4 ATOM 5963 H HG3 . ARG A 1 87 ? 4.843 -23.121 -2.986 1.00 0.00 ? 87 ARG A HG3 4 ATOM 5964 H HD2 . ARG A 1 87 ? 3.324 -25.253 -3.085 1.00 0.00 ? 87 ARG A HD2 4 ATOM 5965 H HD3 . ARG A 1 87 ? 2.025 -24.089 -2.827 1.00 0.00 ? 87 ARG A HD3 4 ATOM 5966 H HE . ARG A 1 87 ? 2.247 -23.480 -5.007 1.00 0.00 ? 87 ARG A HE 4 ATOM 5967 H HH11 . ARG A 1 87 ? 5.255 -24.877 -3.949 1.00 0.00 ? 87 ARG A HH11 4 ATOM 5968 H HH12 . ARG A 1 87 ? 6.002 -24.773 -5.509 1.00 0.00 ? 87 ARG A HH12 4 ATOM 5969 H HH21 . ARG A 1 87 ? 3.220 -23.337 -7.065 1.00 0.00 ? 87 ARG A HH21 4 ATOM 5970 H HH22 . ARG A 1 87 ? 4.844 -23.896 -7.280 1.00 0.00 ? 87 ARG A HH22 4 ATOM 5971 N N . LEU A 1 88 ? 4.176 -25.036 1.977 1.00 0.00 ? 88 LEU A N 4 ATOM 5972 C CA . LEU A 1 88 ? 4.639 -25.953 3.013 1.00 0.00 ? 88 LEU A CA 4 ATOM 5973 C C . LEU A 1 88 ? 3.463 -26.552 3.777 1.00 0.00 ? 88 LEU A C 4 ATOM 5974 O O . LEU A 1 88 ? 3.621 -27.512 4.530 1.00 0.00 ? 88 LEU A O 4 ATOM 5975 C CB . LEU A 1 88 ? 5.575 -25.228 3.981 1.00 0.00 ? 88 LEU A CB 4 ATOM 5976 C CG . LEU A 1 88 ? 7.062 -25.258 3.626 1.00 0.00 ? 88 LEU A CG 4 ATOM 5977 C CD1 . LEU A 1 88 ? 7.481 -26.655 3.196 1.00 0.00 ? 88 LEU A CD1 4 ATOM 5978 C CD2 . LEU A 1 88 ? 7.370 -24.246 2.532 1.00 0.00 ? 88 LEU A CD2 4 ATOM 5979 H H . LEU A 1 88 ? 4.208 -24.072 2.145 1.00 0.00 ? 88 LEU A H 4 ATOM 5980 H HA . LEU A 1 88 ? 5.183 -26.752 2.529 1.00 0.00 ? 88 LEU A HA 4 ATOM 5981 H HB2 . LEU A 1 88 ? 5.267 -24.195 4.028 1.00 0.00 ? 88 LEU A HB2 4 ATOM 5982 H HB3 . LEU A 1 88 ? 5.457 -25.682 4.955 1.00 0.00 ? 88 LEU A HB3 4 ATOM 5983 H HG . LEU A 1 88 ? 7.640 -24.991 4.501 1.00 0.00 ? 88 LEU A HG 4 ATOM 5984 H HD11 . LEU A 1 88 ? 7.032 -27.384 3.854 1.00 0.00 ? 88 LEU A HD11 4 ATOM 5985 H HD12 . LEU A 1 88 ? 8.557 -26.740 3.246 1.00 0.00 ? 88 LEU A HD12 4 ATOM 5986 H HD13 . LEU A 1 88 ? 7.153 -26.833 2.183 1.00 0.00 ? 88 LEU A HD13 4 ATOM 5987 H HD21 . LEU A 1 88 ? 6.514 -24.151 1.880 1.00 0.00 ? 88 LEU A HD21 4 ATOM 5988 H HD22 . LEU A 1 88 ? 8.222 -24.583 1.959 1.00 0.00 ? 88 LEU A HD22 4 ATOM 5989 H HD23 . LEU A 1 88 ? 7.591 -23.288 2.978 1.00 0.00 ? 88 LEU A HD23 4 ATOM 5990 N N . LYS A 1 89 ? 2.281 -25.979 3.575 1.00 0.00 ? 89 LYS A N 4 ATOM 5991 C CA . LYS A 1 89 ? 1.075 -26.457 4.242 1.00 0.00 ? 89 LYS A CA 4 ATOM 5992 C C . LYS A 1 89 ? 0.025 -26.889 3.223 1.00 0.00 ? 89 LYS A C 4 ATOM 5993 O O . LYS A 1 89 ? -1.165 -26.944 3.530 1.00 0.00 ? 89 LYS A O 4 ATOM 5994 C CB . LYS A 1 89 ? 0.502 -25.366 5.149 1.00 0.00 ? 89 LYS A CB 4 ATOM 5995 C CG . LYS A 1 89 ? -0.131 -24.213 4.389 1.00 0.00 ? 89 LYS A CG 4 ATOM 5996 C CD . LYS A 1 89 ? -0.287 -22.984 5.268 1.00 0.00 ? 89 LYS A CD 4 ATOM 5997 C CE . LYS A 1 89 ? -1.541 -23.067 6.125 1.00 0.00 ? 89 LYS A CE 4 ATOM 5998 N NZ . LYS A 1 89 ? -1.502 -24.230 7.055 1.00 0.00 ? 89 LYS A NZ 4 ATOM 5999 H H . LYS A 1 89 ? 2.217 -25.216 2.962 1.00 0.00 ? 89 LYS A H 4 ATOM 6000 H HA . LYS A 1 89 ? 1.346 -27.310 4.845 1.00 0.00 ? 89 LYS A HA 4 ATOM 6001 H HB2 . LYS A 1 89 ? -0.249 -25.804 5.789 1.00 0.00 ? 89 LYS A HB2 4 ATOM 6002 H HB3 . LYS A 1 89 ? 1.299 -24.970 5.763 1.00 0.00 ? 89 LYS A HB3 4 ATOM 6003 H HG2 . LYS A 1 89 ? 0.495 -23.962 3.546 1.00 0.00 ? 89 LYS A HG2 4 ATOM 6004 H HG3 . LYS A 1 89 ? -1.106 -24.519 4.037 1.00 0.00 ? 89 LYS A HG3 4 ATOM 6005 H HD2 . LYS A 1 89 ? 0.573 -22.904 5.916 1.00 0.00 ? 89 LYS A HD2 4 ATOM 6006 H HD3 . LYS A 1 89 ? -0.349 -22.108 4.639 1.00 0.00 ? 89 LYS A HD3 4 ATOM 6007 H HE2 . LYS A 1 89 ? -1.629 -22.159 6.701 1.00 0.00 ? 89 LYS A HE2 4 ATOM 6008 H HE3 . LYS A 1 89 ? -2.399 -23.165 5.475 1.00 0.00 ? 89 LYS A HE3 4 ATOM 6009 H HZ1 . LYS A 1 89 ? -0.516 -24.494 7.254 1.00 0.00 ? 89 LYS A HZ1 4 ATOM 6010 H HZ2 . LYS A 1 89 ? -1.988 -25.044 6.629 1.00 0.00 ? 89 LYS A HZ2 4 ATOM 6011 H HZ3 . LYS A 1 89 ? -1.973 -23.988 7.950 1.00 0.00 ? 89 LYS A HZ3 4 ATOM 6012 N N . ALA A 1 90 ? 0.475 -27.195 2.010 1.00 0.00 ? 90 ALA A N 4 ATOM 6013 C CA . ALA A 1 90 ? -0.426 -27.625 0.948 1.00 0.00 ? 90 ALA A CA 4 ATOM 6014 C C . ALA A 1 90 ? -0.313 -29.127 0.707 1.00 0.00 ? 90 ALA A C 4 ATOM 6015 O O . ALA A 1 90 ? 0.788 -29.674 0.639 1.00 0.00 ? 90 ALA A O 4 ATOM 6016 C CB . ALA A 1 90 ? -0.133 -26.860 -0.334 1.00 0.00 ? 90 ALA A CB 4 ATOM 6017 H H . ALA A 1 90 ? 1.435 -27.131 1.826 1.00 0.00 ? 90 ALA A H 4 ATOM 6018 H HA . ALA A 1 90 ? -1.437 -27.394 1.253 1.00 0.00 ? 90 ALA A HA 4 ATOM 6019 H HB1 . ALA A 1 90 ? 0.266 -27.538 -1.074 1.00 0.00 ? 90 ALA A HB1 4 ATOM 6020 H HB2 . ALA A 1 90 ? -1.046 -26.418 -0.706 1.00 0.00 ? 90 ALA A HB2 4 ATOM 6021 H HB3 . ALA A 1 90 ? 0.588 -26.082 -0.132 1.00 0.00 ? 90 ALA A HB3 4 ATOM 6022 N N . HIS A 1 91 ? -1.459 -29.789 0.580 1.00 0.00 ? 91 HIS A N 4 ATOM 6023 C CA . HIS A 1 91 ? -1.489 -31.228 0.347 1.00 0.00 ? 91 HIS A CA 4 ATOM 6024 C C . HIS A 1 91 ? -0.686 -31.968 1.413 1.00 0.00 ? 91 HIS A C 4 ATOM 6025 O O . HIS A 1 91 ? 0.027 -32.925 1.114 1.00 0.00 ? 91 HIS A O 4 ATOM 6026 C CB . HIS A 1 91 ? -0.936 -31.553 -1.041 1.00 0.00 ? 91 HIS A CB 4 ATOM 6027 C CG . HIS A 1 91 ? -1.290 -32.927 -1.520 1.00 0.00 ? 91 HIS A CG 4 ATOM 6028 N ND1 . HIS A 1 91 ? -0.495 -33.651 -2.383 1.00 0.00 ? 91 HIS A ND1 4 ATOM 6029 C CD2 . HIS A 1 91 ? -2.359 -33.712 -1.249 1.00 0.00 ? 91 HIS A CD2 4 ATOM 6030 C CE1 . HIS A 1 91 ? -1.061 -34.820 -2.625 1.00 0.00 ? 91 HIS A CE1 4 ATOM 6031 N NE2 . HIS A 1 91 ? -2.193 -34.882 -1.948 1.00 0.00 ? 91 HIS A NE2 4 ATOM 6032 H H . HIS A 1 91 ? -2.304 -29.297 0.644 1.00 0.00 ? 91 HIS A H 4 ATOM 6033 H HA . HIS A 1 91 ? -2.517 -31.552 0.400 1.00 0.00 ? 91 HIS A HA 4 ATOM 6034 H HB2 . HIS A 1 91 ? -1.330 -30.843 -1.753 1.00 0.00 ? 91 HIS A HB2 4 ATOM 6035 H HB3 . HIS A 1 91 ? 0.141 -31.475 -1.020 1.00 0.00 ? 91 HIS A HB3 4 ATOM 6036 H HD1 . HIS A 1 91 ? 0.357 -33.352 -2.764 1.00 0.00 ? 91 HIS A HD1 4 ATOM 6037 H HD2 . HIS A 1 91 ? -3.190 -33.463 -0.604 1.00 0.00 ? 91 HIS A HD2 4 ATOM 6038 H HE1 . HIS A 1 91 ? -0.665 -35.594 -3.265 1.00 0.00 ? 91 HIS A HE1 4 ATOM 6039 H HE2 . HIS A 1 91 ? -2.852 -35.604 -2.015 1.00 0.00 ? 91 HIS A HE2 4 ATOM 6040 N N . SER A 1 92 ? -0.806 -31.516 2.657 1.00 0.00 ? 92 SER A N 4 ATOM 6041 C CA . SER A 1 92 ? -0.087 -32.131 3.767 1.00 0.00 ? 92 SER A CA 4 ATOM 6042 C C . SER A 1 92 ? -0.748 -33.442 4.181 1.00 0.00 ? 92 SER A C 4 ATOM 6043 O O . SER A 1 92 ? -1.876 -33.734 3.786 1.00 0.00 ? 92 SER A O 4 ATOM 6044 C CB . SER A 1 92 ? -0.032 -31.175 4.960 1.00 0.00 ? 92 SER A CB 4 ATOM 6045 O OG . SER A 1 92 ? -1.280 -31.122 5.629 1.00 0.00 ? 92 SER A OG 4 ATOM 6046 H H . SER A 1 92 ? -1.390 -30.748 2.832 1.00 0.00 ? 92 SER A H 4 ATOM 6047 H HA . SER A 1 92 ? 0.919 -32.339 3.436 1.00 0.00 ? 92 SER A HA 4 ATOM 6048 H HB2 . SER A 1 92 ? 0.721 -31.514 5.655 1.00 0.00 ? 92 SER A HB2 4 ATOM 6049 H HB3 . SER A 1 92 ? 0.219 -30.184 4.612 1.00 0.00 ? 92 SER A HB3 4 ATOM 6050 H HG . SER A 1 92 ? -1.243 -30.462 6.325 1.00 0.00 ? 92 SER A HG 4 ATOM 6051 N N . GLY A 1 93 ? -0.037 -34.230 4.982 1.00 0.00 ? 93 GLY A N 4 ATOM 6052 C CA . GLY A 1 93 ? -0.569 -35.501 5.437 1.00 0.00 ? 93 GLY A CA 4 ATOM 6053 C C . GLY A 1 93 ? -1.729 -35.332 6.399 1.00 0.00 ? 93 GLY A C 4 ATOM 6054 O O . GLY A 1 93 ? -1.980 -34.244 6.917 1.00 0.00 ? 93 GLY A O 4 ATOM 6055 H H . GLY A 1 93 ? 0.858 -33.946 5.266 1.00 0.00 ? 93 GLY A H 4 ATOM 6056 H HA2 . GLY A 1 93 ? -0.904 -36.066 4.581 1.00 0.00 ? 93 GLY A HA2 4 ATOM 6057 H HA3 . GLY A 1 93 ? 0.217 -36.051 5.933 1.00 0.00 ? 93 GLY A HA3 4 ATOM 6058 N N . PRO A 1 94 ? -2.460 -36.429 6.648 1.00 0.00 ? 94 PRO A N 4 ATOM 6059 C CA . PRO A 1 94 ? -3.612 -36.423 7.554 1.00 0.00 ? 94 PRO A CA 4 ATOM 6060 C C . PRO A 1 94 ? -3.202 -36.245 9.013 1.00 0.00 ? 94 PRO A C 4 ATOM 6061 O O . PRO A 1 94 ? -3.888 -35.573 9.783 1.00 0.00 ? 94 PRO A O 4 ATOM 6062 C CB . PRO A 1 94 ? -4.239 -37.802 7.340 1.00 0.00 ? 94 PRO A CB 4 ATOM 6063 C CG . PRO A 1 94 ? -3.117 -38.660 6.867 1.00 0.00 ? 94 PRO A CG 4 ATOM 6064 C CD . PRO A 1 94 ? -2.217 -37.759 6.065 1.00 0.00 ? 94 PRO A CD 4 ATOM 6065 H HA . PRO A 1 94 ? -4.324 -35.656 7.286 1.00 0.00 ? 94 PRO A HA 4 ATOM 6066 H HB2 . PRO A 1 94 ? -4.648 -38.164 8.273 1.00 0.00 ? 94 PRO A HB2 4 ATOM 6067 H HB3 . PRO A 1 94 ? -5.023 -37.735 6.600 1.00 0.00 ? 94 PRO A HB3 4 ATOM 6068 H HG2 . PRO A 1 94 ? -2.583 -39.066 7.712 1.00 0.00 ? 94 PRO A HG2 4 ATOM 6069 H HG3 . PRO A 1 94 ? -3.500 -39.455 6.245 1.00 0.00 ? 94 PRO A HG3 4 ATOM 6070 H HD2 . PRO A 1 94 ? -1.185 -38.052 6.188 1.00 0.00 ? 94 PRO A HD2 4 ATOM 6071 H HD3 . PRO A 1 94 ? -2.496 -37.779 5.022 1.00 0.00 ? 94 PRO A HD3 4 ATOM 6072 N N . SER A 1 95 ? -2.079 -36.851 9.385 1.00 0.00 ? 95 SER A N 4 ATOM 6073 C CA . SER A 1 95 ? -1.580 -36.762 10.752 1.00 0.00 ? 95 SER A CA 4 ATOM 6074 C C . SER A 1 95 ? -1.605 -35.319 11.247 1.00 0.00 ? 95 SER A C 4 ATOM 6075 O O . SER A 1 95 ? -1.131 -34.409 10.566 1.00 0.00 ? 95 SER A O 4 ATOM 6076 C CB . SER A 1 95 ? -0.156 -37.316 10.834 1.00 0.00 ? 95 SER A CB 4 ATOM 6077 O OG . SER A 1 95 ? 0.263 -37.448 12.182 1.00 0.00 ? 95 SER A OG 4 ATOM 6078 H H . SER A 1 95 ? -1.576 -37.372 8.724 1.00 0.00 ? 95 SER A H 4 ATOM 6079 H HA . SER A 1 95 ? -2.226 -37.357 11.380 1.00 0.00 ? 95 SER A HA 4 ATOM 6080 H HB2 . SER A 1 95 ? -0.123 -38.287 10.363 1.00 0.00 ? 95 SER A HB2 4 ATOM 6081 H HB3 . SER A 1 95 ? 0.519 -36.645 10.324 1.00 0.00 ? 95 SER A HB3 4 ATOM 6082 H HG . SER A 1 95 ? 0.037 -36.651 12.667 1.00 0.00 ? 95 SER A HG 4 ATOM 6083 N N . SER A 1 96 ? -2.162 -35.118 12.437 1.00 0.00 ? 96 SER A N 4 ATOM 6084 C CA . SER A 1 96 ? -2.253 -33.786 13.023 1.00 0.00 ? 96 SER A CA 4 ATOM 6085 C C . SER A 1 96 ? -0.868 -33.166 13.182 1.00 0.00 ? 96 SER A C 4 ATOM 6086 O O . SER A 1 96 ? 0.101 -33.857 13.495 1.00 0.00 ? 96 SER A O 4 ATOM 6087 C CB . SER A 1 96 ? -2.955 -33.849 14.380 1.00 0.00 ? 96 SER A CB 4 ATOM 6088 O OG . SER A 1 96 ? -3.559 -32.608 14.701 1.00 0.00 ? 96 SER A OG 4 ATOM 6089 H H . SER A 1 96 ? -2.522 -35.884 12.931 1.00 0.00 ? 96 SER A H 4 ATOM 6090 H HA . SER A 1 96 ? -2.836 -33.169 12.354 1.00 0.00 ? 96 SER A HA 4 ATOM 6091 H HB2 . SER A 1 96 ? -3.720 -34.611 14.352 1.00 0.00 ? 96 SER A HB2 4 ATOM 6092 H HB3 . SER A 1 96 ? -2.232 -34.093 15.145 1.00 0.00 ? 96 SER A HB3 4 ATOM 6093 H HG . SER A 1 96 ? -2.951 -31.894 14.497 1.00 0.00 ? 96 SER A HG 4 ATOM 6094 N N . GLY A 1 97 ? -0.783 -31.857 12.965 1.00 0.00 ? 97 GLY A N 4 ATOM 6095 C CA . GLY A 1 97 ? 0.486 -31.165 13.088 1.00 0.00 ? 97 GLY A CA 4 ATOM 6096 C C . GLY A 1 97 ? 0.715 -30.168 11.970 1.00 0.00 ? 97 GLY A C 4 ATOM 6097 O O . GLY A 1 97 ? 0.232 -30.356 10.854 1.00 0.00 ? 97 GLY A O 4 ATOM 6098 H H . GLY A 1 97 ? -1.589 -31.357 12.718 1.00 0.00 ? 97 GLY A H 4 ATOM 6099 H HA2 . GLY A 1 97 ? 0.509 -30.643 14.033 1.00 0.00 ? 97 GLY A HA2 4 ATOM 6100 H HA3 . GLY A 1 97 ? 1.283 -31.894 13.073 1.00 0.00 ? 97 GLY A HA3 4 ATOM 6101 N N . GLY A 1 1 ? 4.640 8.022 16.525 1.00 0.00 ? 1 GLY A N 5 ATOM 6102 C CA . GLY A 1 1 ? 4.157 8.173 15.165 1.00 0.00 ? 1 GLY A CA 5 ATOM 6103 C C . GLY A 1 1 ? 2.956 9.093 15.075 1.00 0.00 ? 1 GLY A C 5 ATOM 6104 O O . GLY A 1 1 ? 1.813 8.642 15.150 1.00 0.00 ? 1 GLY A O 5 ATOM 6105 H H1 . GLY A 1 1 ? 4.330 8.636 17.224 1.00 0.00 ? 1 GLY A H1 5 ATOM 6106 H HA2 . GLY A 1 1 ? 4.952 8.575 14.555 1.00 0.00 ? 1 GLY A HA2 5 ATOM 6107 H HA3 . GLY A 1 1 ? 3.881 7.201 14.784 1.00 0.00 ? 1 GLY A HA3 5 ATOM 6108 N N . SER A 1 2 ? 3.214 10.387 14.916 1.00 0.00 ? 2 SER A N 5 ATOM 6109 C CA . SER A 1 2 ? 2.145 11.374 14.821 1.00 0.00 ? 2 SER A CA 5 ATOM 6110 C C . SER A 1 2 ? 2.039 11.926 13.403 1.00 0.00 ? 2 SER A C 5 ATOM 6111 O O . SER A 1 2 ? 3.012 11.922 12.649 1.00 0.00 ? 2 SER A O 5 ATOM 6112 C CB . SER A 1 2 ? 2.387 12.516 15.809 1.00 0.00 ? 2 SER A CB 5 ATOM 6113 O OG . SER A 1 2 ? 2.350 12.050 17.147 1.00 0.00 ? 2 SER A OG 5 ATOM 6114 H H . SER A 1 2 ? 4.146 10.685 14.863 1.00 0.00 ? 2 SER A H 5 ATOM 6115 H HA . SER A 1 2 ? 1.217 10.882 15.073 1.00 0.00 ? 2 SER A HA 5 ATOM 6116 H HB2 . SER A 1 2 ? 3.356 12.953 15.620 1.00 0.00 ? 2 SER A HB2 5 ATOM 6117 H HB3 . SER A 1 2 ? 1.622 13.268 15.681 1.00 0.00 ? 2 SER A HB3 5 ATOM 6118 H HG . SER A 1 2 ? 3.081 11.447 17.297 1.00 0.00 ? 2 SER A HG 5 ATOM 6119 N N . SER A 1 3 ? 0.850 12.402 13.047 1.00 0.00 ? 3 SER A N 5 ATOM 6120 C CA . SER A 1 3 ? 0.615 12.955 11.718 1.00 0.00 ? 3 SER A CA 5 ATOM 6121 C C . SER A 1 3 ? -0.786 13.551 11.618 1.00 0.00 ? 3 SER A C 5 ATOM 6122 O O . SER A 1 3 ? -1.783 12.853 11.798 1.00 0.00 ? 3 SER A O 5 ATOM 6123 C CB . SER A 1 3 ? 0.800 11.873 10.653 1.00 0.00 ? 3 SER A CB 5 ATOM 6124 O OG . SER A 1 3 ? 0.382 12.335 9.379 1.00 0.00 ? 3 SER A OG 5 ATOM 6125 H H . SER A 1 3 ? 0.113 12.378 13.693 1.00 0.00 ? 3 SER A H 5 ATOM 6126 H HA . SER A 1 3 ? 1.339 13.739 11.553 1.00 0.00 ? 3 SER A HA 5 ATOM 6127 H HB2 . SER A 1 3 ? 1.842 11.599 10.598 1.00 0.00 ? 3 SER A HB2 5 ATOM 6128 H HB3 . SER A 1 3 ? 0.212 11.006 10.918 1.00 0.00 ? 3 SER A HB3 5 ATOM 6129 H HG . SER A 1 3 ? 0.534 13.281 9.316 1.00 0.00 ? 3 SER A HG 5 ATOM 6130 N N . GLY A 1 4 ? -0.852 14.847 11.329 1.00 0.00 ? 4 GLY A N 5 ATOM 6131 C CA . GLY A 1 4 ? -2.135 15.515 11.210 1.00 0.00 ? 4 GLY A CA 5 ATOM 6132 C C . GLY A 1 4 ? -2.086 16.952 11.689 1.00 0.00 ? 4 GLY A C 5 ATOM 6133 O O . GLY A 1 4 ? -2.575 17.269 12.774 1.00 0.00 ? 4 GLY A O 5 ATOM 6134 H H . GLY A 1 4 ? -0.024 15.353 11.196 1.00 0.00 ? 4 GLY A H 5 ATOM 6135 H HA2 . GLY A 1 4 ? -2.440 15.502 10.174 1.00 0.00 ? 4 GLY A HA2 5 ATOM 6136 H HA3 . GLY A 1 4 ? -2.865 14.977 11.796 1.00 0.00 ? 4 GLY A HA3 5 ATOM 6137 N N . SER A 1 5 ? -1.494 17.825 10.880 1.00 0.00 ? 5 SER A N 5 ATOM 6138 C CA . SER A 1 5 ? -1.379 19.236 11.230 1.00 0.00 ? 5 SER A CA 5 ATOM 6139 C C . SER A 1 5 ? -1.672 20.121 10.023 1.00 0.00 ? 5 SER A C 5 ATOM 6140 O O . SER A 1 5 ? -1.380 19.754 8.885 1.00 0.00 ? 5 SER A O 5 ATOM 6141 C CB . SER A 1 5 ? 0.021 19.536 11.769 1.00 0.00 ? 5 SER A CB 5 ATOM 6142 O OG . SER A 1 5 ? 0.013 20.684 12.600 1.00 0.00 ? 5 SER A OG 5 ATOM 6143 H H . SER A 1 5 ? -1.124 17.512 10.028 1.00 0.00 ? 5 SER A H 5 ATOM 6144 H HA . SER A 1 5 ? -2.105 19.447 12.001 1.00 0.00 ? 5 SER A HA 5 ATOM 6145 H HB2 . SER A 1 5 ? 0.372 18.693 12.344 1.00 0.00 ? 5 SER A HB2 5 ATOM 6146 H HB3 . SER A 1 5 ? 0.693 19.711 10.940 1.00 0.00 ? 5 SER A HB3 5 ATOM 6147 H HG . SER A 1 5 ? 0.077 20.414 13.519 1.00 0.00 ? 5 SER A HG 5 ATOM 6148 N N . SER A 1 6 ? -2.252 21.289 10.280 1.00 0.00 ? 6 SER A N 5 ATOM 6149 C CA . SER A 1 6 ? -2.589 22.226 9.215 1.00 0.00 ? 6 SER A CA 5 ATOM 6150 C C . SER A 1 6 ? -1.448 22.340 8.210 1.00 0.00 ? 6 SER A C 5 ATOM 6151 O O . SER A 1 6 ? -0.298 22.572 8.582 1.00 0.00 ? 6 SER A O 5 ATOM 6152 C CB . SER A 1 6 ? -2.907 23.604 9.801 1.00 0.00 ? 6 SER A CB 5 ATOM 6153 O OG . SER A 1 6 ? -2.949 24.592 8.786 1.00 0.00 ? 6 SER A OG 5 ATOM 6154 H H . SER A 1 6 ? -2.460 21.525 11.209 1.00 0.00 ? 6 SER A H 5 ATOM 6155 H HA . SER A 1 6 ? -3.465 21.850 8.707 1.00 0.00 ? 6 SER A HA 5 ATOM 6156 H HB2 . SER A 1 6 ? -3.866 23.570 10.294 1.00 0.00 ? 6 SER A HB2 5 ATOM 6157 H HB3 . SER A 1 6 ? -2.143 23.872 10.517 1.00 0.00 ? 6 SER A HB3 5 ATOM 6158 H HG . SER A 1 6 ? -2.264 25.245 8.946 1.00 0.00 ? 6 SER A HG 5 ATOM 6159 N N . GLY A 1 7 ? -1.774 22.174 6.931 1.00 0.00 ? 7 GLY A N 5 ATOM 6160 C CA . GLY A 1 7 ? -0.767 22.261 5.891 1.00 0.00 ? 7 GLY A CA 5 ATOM 6161 C C . GLY A 1 7 ? -1.337 22.009 4.509 1.00 0.00 ? 7 GLY A C 5 ATOM 6162 O O . GLY A 1 7 ? -2.424 22.485 4.183 1.00 0.00 ? 7 GLY A O 5 ATOM 6163 H H . GLY A 1 7 ? -2.707 21.992 6.693 1.00 0.00 ? 7 GLY A H 5 ATOM 6164 H HA2 . GLY A 1 7 ? -0.326 23.247 5.913 1.00 0.00 ? 7 GLY A HA2 5 ATOM 6165 H HA3 . GLY A 1 7 ? 0.003 21.529 6.089 1.00 0.00 ? 7 GLY A HA3 5 ATOM 6166 N N . MET A 1 8 ? -0.600 21.261 3.694 1.00 0.00 ? 8 MET A N 5 ATOM 6167 C CA . MET A 1 8 ? -1.040 20.947 2.340 1.00 0.00 ? 8 MET A CA 5 ATOM 6168 C C . MET A 1 8 ? -2.399 20.255 2.355 1.00 0.00 ? 8 MET A C 5 ATOM 6169 O O . MET A 1 8 ? -2.479 19.027 2.370 1.00 0.00 ? 8 MET A O 5 ATOM 6170 C CB . MET A 1 8 ? -0.010 20.059 1.639 1.00 0.00 ? 8 MET A CB 5 ATOM 6171 C CG . MET A 1 8 ? -0.241 19.923 0.143 1.00 0.00 ? 8 MET A CG 5 ATOM 6172 S SD . MET A 1 8 ? 0.134 21.438 -0.758 1.00 0.00 ? 8 MET A SD 5 ATOM 6173 C CE . MET A 1 8 ? 0.927 20.775 -2.221 1.00 0.00 ? 8 MET A CE 5 ATOM 6174 H H . MET A 1 8 ? 0.258 20.910 4.011 1.00 0.00 ? 8 MET A H 5 ATOM 6175 H HA . MET A 1 8 ? -1.128 21.876 1.797 1.00 0.00 ? 8 MET A HA 5 ATOM 6176 H HB2 . MET A 1 8 ? 0.973 20.478 1.793 1.00 0.00 ? 8 MET A HB2 5 ATOM 6177 H HB3 . MET A 1 8 ? -0.045 19.072 2.078 1.00 0.00 ? 8 MET A HB3 5 ATOM 6178 H HG2 . MET A 1 8 ? 0.388 19.131 -0.235 1.00 0.00 ? 8 MET A HG2 5 ATOM 6179 H HG3 . MET A 1 8 ? -1.277 19.667 -0.025 1.00 0.00 ? 8 MET A HG3 5 ATOM 6180 H HE1 . MET A 1 8 ? 0.712 21.410 -3.067 1.00 0.00 ? 8 MET A HE1 5 ATOM 6181 H HE2 . MET A 1 8 ? 1.995 20.734 -2.064 1.00 0.00 ? 8 MET A HE2 5 ATOM 6182 H HE3 . MET A 1 8 ? 0.553 19.780 -2.413 1.00 0.00 ? 8 MET A HE3 5 ATOM 6183 N N . GLU A 1 9 ? -3.464 21.051 2.352 1.00 0.00 ? 9 GLU A N 5 ATOM 6184 C CA . GLU A 1 9 ? -4.819 20.513 2.367 1.00 0.00 ? 9 GLU A CA 5 ATOM 6185 C C . GLU A 1 9 ? -5.324 20.270 0.948 1.00 0.00 ? 9 GLU A C 5 ATOM 6186 O O . GLU A 1 9 ? -5.655 21.210 0.226 1.00 0.00 ? 9 GLU A O 5 ATOM 6187 C CB . GLU A 1 9 ? -5.763 21.468 3.100 1.00 0.00 ? 9 GLU A CB 5 ATOM 6188 C CG . GLU A 1 9 ? -5.486 21.574 4.590 1.00 0.00 ? 9 GLU A CG 5 ATOM 6189 C CD . GLU A 1 9 ? -6.647 22.176 5.358 1.00 0.00 ? 9 GLU A CD 5 ATOM 6190 O OE1 . GLU A 1 9 ? -7.003 23.340 5.077 1.00 0.00 ? 9 GLU A OE1 5 ATOM 6191 O OE2 . GLU A 1 9 ? -7.199 21.484 6.239 1.00 0.00 ? 9 GLU A OE2 5 ATOM 6192 H H . GLU A 1 9 ? -3.335 22.022 2.340 1.00 0.00 ? 9 GLU A H 5 ATOM 6193 H HA . GLU A 1 9 ? -4.796 19.571 2.894 1.00 0.00 ? 9 GLU A HA 5 ATOM 6194 H HB2 . GLU A 1 9 ? -5.667 22.453 2.666 1.00 0.00 ? 9 GLU A HB2 5 ATOM 6195 H HB3 . GLU A 1 9 ? -6.778 21.124 2.967 1.00 0.00 ? 9 GLU A HB3 5 ATOM 6196 H HG2 . GLU A 1 9 ? -5.292 20.586 4.978 1.00 0.00 ? 9 GLU A HG2 5 ATOM 6197 H HG3 . GLU A 1 9 ? -4.615 22.195 4.738 1.00 0.00 ? 9 GLU A HG3 5 ATOM 6198 N N . GLY A 1 10 ? -5.378 19.001 0.554 1.00 0.00 ? 10 GLY A N 5 ATOM 6199 C CA . GLY A 1 10 ? -5.843 18.657 -0.777 1.00 0.00 ? 10 GLY A CA 5 ATOM 6200 C C . GLY A 1 10 ? -5.305 17.321 -1.251 1.00 0.00 ? 10 GLY A C 5 ATOM 6201 O O . GLY A 1 10 ? -6.035 16.335 -1.352 1.00 0.00 ? 10 GLY A O 5 ATOM 6202 H H . GLY A 1 10 ? -5.101 18.293 1.172 1.00 0.00 ? 10 GLY A H 5 ATOM 6203 H HA2 . GLY A 1 10 ? -6.922 18.618 -0.771 1.00 0.00 ? 10 GLY A HA2 5 ATOM 6204 H HA3 . GLY A 1 10 ? -5.524 19.425 -1.467 1.00 0.00 ? 10 GLY A HA3 5 ATOM 6205 N N . PRO A 1 11 ? -3.999 17.278 -1.553 1.00 0.00 ? 11 PRO A N 5 ATOM 6206 C CA . PRO A 1 11 ? -3.336 16.059 -2.025 1.00 0.00 ? 11 PRO A CA 5 ATOM 6207 C C . PRO A 1 11 ? -3.219 15.002 -0.932 1.00 0.00 ? 11 PRO A C 5 ATOM 6208 O O . PRO A 1 11 ? -3.200 13.803 -1.213 1.00 0.00 ? 11 PRO A O 5 ATOM 6209 C CB . PRO A 1 11 ? -1.948 16.550 -2.445 1.00 0.00 ? 11 PRO A CB 5 ATOM 6210 C CG . PRO A 1 11 ? -1.719 17.777 -1.633 1.00 0.00 ? 11 PRO A CG 5 ATOM 6211 C CD . PRO A 1 11 ? -3.069 18.415 -1.456 1.00 0.00 ? 11 PRO A CD 5 ATOM 6212 H HA . PRO A 1 11 ? -3.844 15.636 -2.880 1.00 0.00 ? 11 PRO A HA 5 ATOM 6213 H HB2 . PRO A 1 11 ? -1.213 15.788 -2.228 1.00 0.00 ? 11 PRO A HB2 5 ATOM 6214 H HB3 . PRO A 1 11 ? -1.945 16.770 -3.502 1.00 0.00 ? 11 PRO A HB3 5 ATOM 6215 H HG2 . PRO A 1 11 ? -1.302 17.510 -0.674 1.00 0.00 ? 11 PRO A HG2 5 ATOM 6216 H HG3 . PRO A 1 11 ? -1.055 18.447 -2.159 1.00 0.00 ? 11 PRO A HG3 5 ATOM 6217 H HD2 . PRO A 1 11 ? -3.139 18.889 -0.488 1.00 0.00 ? 11 PRO A HD2 5 ATOM 6218 H HD3 . PRO A 1 11 ? -3.254 19.132 -2.243 1.00 0.00 ? 11 PRO A HD3 5 ATOM 6219 N N . LEU A 1 12 ? -3.141 15.453 0.315 1.00 0.00 ? 12 LEU A N 5 ATOM 6220 C CA . LEU A 1 12 ? -3.026 14.546 1.451 1.00 0.00 ? 12 LEU A CA 5 ATOM 6221 C C . LEU A 1 12 ? -4.181 13.549 1.471 1.00 0.00 ? 12 LEU A C 5 ATOM 6222 O O . LEU A 1 12 ? -3.971 12.344 1.603 1.00 0.00 ? 12 LEU A O 5 ATOM 6223 C CB . LEU A 1 12 ? -2.998 15.337 2.760 1.00 0.00 ? 12 LEU A CB 5 ATOM 6224 C CG . LEU A 1 12 ? -1.641 15.913 3.167 1.00 0.00 ? 12 LEU A CG 5 ATOM 6225 C CD1 . LEU A 1 12 ? -1.817 17.015 4.200 1.00 0.00 ? 12 LEU A CD1 5 ATOM 6226 C CD2 . LEU A 1 12 ? -0.735 14.815 3.704 1.00 0.00 ? 12 LEU A CD2 5 ATOM 6227 H H . LEU A 1 12 ? -3.161 16.419 0.476 1.00 0.00 ? 12 LEU A H 5 ATOM 6228 H HA . LEU A 1 12 ? -2.099 14.002 1.348 1.00 0.00 ? 12 LEU A HA 5 ATOM 6229 H HB2 . LEU A 1 12 ? -3.691 16.159 2.664 1.00 0.00 ? 12 LEU A HB2 5 ATOM 6230 H HB3 . LEU A 1 12 ? -3.330 14.679 3.550 1.00 0.00 ? 12 LEU A HB3 5 ATOM 6231 H HG . LEU A 1 12 ? -1.165 16.345 2.297 1.00 0.00 ? 12 LEU A HG 5 ATOM 6232 H HD11 . LEU A 1 12 ? -2.841 17.358 4.190 1.00 0.00 ? 12 LEU A HD11 5 ATOM 6233 H HD12 . LEU A 1 12 ? -1.159 17.838 3.964 1.00 0.00 ? 12 LEU A HD12 5 ATOM 6234 H HD13 . LEU A 1 12 ? -1.575 16.631 5.180 1.00 0.00 ? 12 LEU A HD13 5 ATOM 6235 H HD21 . LEU A 1 12 ? -0.121 15.213 4.499 1.00 0.00 ? 12 LEU A HD21 5 ATOM 6236 H HD22 . LEU A 1 12 ? -0.101 14.450 2.908 1.00 0.00 ? 12 LEU A HD22 5 ATOM 6237 H HD23 . LEU A 1 12 ? -1.338 14.005 4.085 1.00 0.00 ? 12 LEU A HD23 5 ATOM 6238 N N . ASN A 1 13 ? -5.400 14.061 1.337 1.00 0.00 ? 13 ASN A N 5 ATOM 6239 C CA . ASN A 1 13 ? -6.588 13.216 1.337 1.00 0.00 ? 13 ASN A CA 5 ATOM 6240 C C . ASN A 1 13 ? -6.542 12.212 0.190 1.00 0.00 ? 13 ASN A C 5 ATOM 6241 O O . ASN A 1 13 ? -6.616 11.001 0.406 1.00 0.00 ? 13 ASN A O 5 ATOM 6242 C CB . ASN A 1 13 ? -7.850 14.074 1.228 1.00 0.00 ? 13 ASN A CB 5 ATOM 6243 C CG . ASN A 1 13 ? -9.074 13.377 1.790 1.00 0.00 ? 13 ASN A CG 5 ATOM 6244 O OD1 . ASN A 1 13 ? -8.987 12.258 2.295 1.00 0.00 ? 13 ASN A OD1 5 ATOM 6245 N ND2 . ASN A 1 13 ? -10.223 14.037 1.703 1.00 0.00 ? 13 ASN A ND2 5 ATOM 6246 H H . ASN A 1 13 ? -5.503 15.031 1.235 1.00 0.00 ? 13 ASN A H 5 ATOM 6247 H HA . ASN A 1 13 ? -6.610 12.677 2.272 1.00 0.00 ? 13 ASN A HA 5 ATOM 6248 H HB2 . ASN A 1 13 ? -7.701 14.994 1.776 1.00 0.00 ? 13 ASN A HB2 5 ATOM 6249 H HB3 . ASN A 1 13 ? -8.034 14.304 0.190 1.00 0.00 ? 13 ASN A HB3 5 ATOM 6250 H HD21 . ASN A 1 13 ? -10.217 14.925 1.288 1.00 0.00 ? 13 ASN A HD21 5 ATOM 6251 H HD22 . ASN A 1 13 ? -11.030 13.610 2.059 1.00 0.00 ? 13 ASN A HD22 5 ATOM 6252 N N . LEU A 1 14 ? -6.419 12.721 -1.030 1.00 0.00 ? 14 LEU A N 5 ATOM 6253 C CA . LEU A 1 14 ? -6.362 11.869 -2.213 1.00 0.00 ? 14 LEU A CA 5 ATOM 6254 C C . LEU A 1 14 ? -5.516 10.628 -1.950 1.00 0.00 ? 14 LEU A C 5 ATOM 6255 O O . LEU A 1 14 ? -5.870 9.524 -2.364 1.00 0.00 ? 14 LEU A O 5 ATOM 6256 C CB . LEU A 1 14 ? -5.790 12.648 -3.400 1.00 0.00 ? 14 LEU A CB 5 ATOM 6257 C CG . LEU A 1 14 ? -6.803 13.420 -4.247 1.00 0.00 ? 14 LEU A CG 5 ATOM 6258 C CD1 . LEU A 1 14 ? -6.111 14.527 -5.027 1.00 0.00 ? 14 LEU A CD1 5 ATOM 6259 C CD2 . LEU A 1 14 ? -7.537 12.478 -5.190 1.00 0.00 ? 14 LEU A CD2 5 ATOM 6260 H H . LEU A 1 14 ? -6.365 13.693 -1.140 1.00 0.00 ? 14 LEU A H 5 ATOM 6261 H HA . LEU A 1 14 ? -7.370 11.561 -2.448 1.00 0.00 ? 14 LEU A HA 5 ATOM 6262 H HB2 . LEU A 1 14 ? -5.073 13.356 -3.015 1.00 0.00 ? 14 LEU A HB2 5 ATOM 6263 H HB3 . LEU A 1 14 ? -5.287 11.942 -4.045 1.00 0.00 ? 14 LEU A HB3 5 ATOM 6264 H HG . LEU A 1 14 ? -7.533 13.878 -3.594 1.00 0.00 ? 14 LEU A HG 5 ATOM 6265 H HD11 . LEU A 1 14 ? -5.565 14.098 -5.853 1.00 0.00 ? 14 LEU A HD11 5 ATOM 6266 H HD12 . LEU A 1 14 ? -5.427 15.052 -4.377 1.00 0.00 ? 14 LEU A HD12 5 ATOM 6267 H HD13 . LEU A 1 14 ? -6.852 15.218 -5.404 1.00 0.00 ? 14 LEU A HD13 5 ATOM 6268 H HD21 . LEU A 1 14 ? -8.084 13.056 -5.920 1.00 0.00 ? 14 LEU A HD21 5 ATOM 6269 H HD22 . LEU A 1 14 ? -8.226 11.868 -4.625 1.00 0.00 ? 14 LEU A HD22 5 ATOM 6270 H HD23 . LEU A 1 14 ? -6.822 11.844 -5.694 1.00 0.00 ? 14 LEU A HD23 5 ATOM 6271 N N . ALA A 1 15 ? -4.398 10.816 -1.257 1.00 0.00 ? 15 ALA A N 5 ATOM 6272 C CA . ALA A 1 15 ? -3.504 9.711 -0.934 1.00 0.00 ? 15 ALA A CA 5 ATOM 6273 C C . ALA A 1 15 ? -4.149 8.757 0.066 1.00 0.00 ? 15 ALA A C 5 ATOM 6274 O O . ALA A 1 15 ? -3.985 7.540 -0.027 1.00 0.00 ? 15 ALA A O 5 ATOM 6275 C CB . ALA A 1 15 ? -2.187 10.240 -0.387 1.00 0.00 ? 15 ALA A CB 5 ATOM 6276 H H . ALA A 1 15 ? -4.170 11.719 -0.954 1.00 0.00 ? 15 ALA A H 5 ATOM 6277 H HA . ALA A 1 15 ? -3.296 9.172 -1.848 1.00 0.00 ? 15 ALA A HA 5 ATOM 6278 H HB1 . ALA A 1 15 ? -1.478 9.428 -0.311 1.00 0.00 ? 15 ALA A HB1 5 ATOM 6279 H HB2 . ALA A 1 15 ? -1.799 10.997 -1.053 1.00 0.00 ? 15 ALA A HB2 5 ATOM 6280 H HB3 . ALA A 1 15 ? -2.349 10.668 0.590 1.00 0.00 ? 15 ALA A HB3 5 ATOM 6281 N N . HIS A 1 16 ? -4.883 9.317 1.022 1.00 0.00 ? 16 HIS A N 5 ATOM 6282 C CA . HIS A 1 16 ? -5.553 8.515 2.040 1.00 0.00 ? 16 HIS A CA 5 ATOM 6283 C C . HIS A 1 16 ? -6.547 7.548 1.403 1.00 0.00 ? 16 HIS A C 5 ATOM 6284 O O . HIS A 1 16 ? -6.640 6.388 1.803 1.00 0.00 ? 16 HIS A O 5 ATOM 6285 C CB . HIS A 1 16 ? -6.274 9.420 3.040 1.00 0.00 ? 16 HIS A CB 5 ATOM 6286 C CG . HIS A 1 16 ? -5.358 10.350 3.774 1.00 0.00 ? 16 HIS A CG 5 ATOM 6287 N ND1 . HIS A 1 16 ? -5.797 11.238 4.733 1.00 0.00 ? 16 HIS A ND1 5 ATOM 6288 C CD2 . HIS A 1 16 ? -4.019 10.527 3.685 1.00 0.00 ? 16 HIS A CD2 5 ATOM 6289 C CE1 . HIS A 1 16 ? -4.769 11.921 5.202 1.00 0.00 ? 16 HIS A CE1 5 ATOM 6290 N NE2 . HIS A 1 16 ? -3.677 11.509 4.583 1.00 0.00 ? 16 HIS A NE2 5 ATOM 6291 H H . HIS A 1 16 ? -4.976 10.292 1.044 1.00 0.00 ? 16 HIS A H 5 ATOM 6292 H HA . HIS A 1 16 ? -4.800 7.945 2.562 1.00 0.00 ? 16 HIS A HA 5 ATOM 6293 H HB2 . HIS A 1 16 ? -7.002 10.019 2.513 1.00 0.00 ? 16 HIS A HB2 5 ATOM 6294 H HB3 . HIS A 1 16 ? -6.780 8.807 3.771 1.00 0.00 ? 16 HIS A HB3 5 ATOM 6295 H HD1 . HIS A 1 16 ? -6.725 11.351 5.026 1.00 0.00 ? 16 HIS A HD1 5 ATOM 6296 H HD2 . HIS A 1 16 ? -3.343 9.996 3.029 1.00 0.00 ? 16 HIS A HD2 5 ATOM 6297 H HE1 . HIS A 1 16 ? -4.811 12.687 5.962 1.00 0.00 ? 16 HIS A HE1 5 ATOM 6298 H HE2 . HIS A 1 16 ? -2.788 11.910 4.679 1.00 0.00 ? 16 HIS A HE2 5 ATOM 6299 N N . GLN A 1 17 ? -7.286 8.035 0.411 1.00 0.00 ? 17 GLN A N 5 ATOM 6300 C CA . GLN A 1 17 ? -8.273 7.214 -0.279 1.00 0.00 ? 17 GLN A CA 5 ATOM 6301 C C . GLN A 1 17 ? -7.677 5.868 -0.681 1.00 0.00 ? 17 GLN A C 5 ATOM 6302 O O . GLN A 1 17 ? -8.347 4.838 -0.614 1.00 0.00 ? 17 GLN A O 5 ATOM 6303 C CB . GLN A 1 17 ? -8.798 7.943 -1.517 1.00 0.00 ? 17 GLN A CB 5 ATOM 6304 C CG . GLN A 1 17 ? -9.761 9.073 -1.195 1.00 0.00 ? 17 GLN A CG 5 ATOM 6305 C CD . GLN A 1 17 ? -10.411 9.658 -2.434 1.00 0.00 ? 17 GLN A CD 5 ATOM 6306 O OE1 . GLN A 1 17 ? -10.986 8.935 -3.247 1.00 0.00 ? 17 GLN A OE1 5 ATOM 6307 N NE2 . GLN A 1 17 ? -10.321 10.974 -2.584 1.00 0.00 ? 17 GLN A NE2 5 ATOM 6308 H H . GLN A 1 17 ? -7.165 8.968 0.138 1.00 0.00 ? 17 GLN A H 5 ATOM 6309 H HA . GLN A 1 17 ? -9.094 7.041 0.400 1.00 0.00 ? 17 GLN A HA 5 ATOM 6310 H HB2 . GLN A 1 17 ? -7.960 8.355 -2.059 1.00 0.00 ? 17 GLN A HB2 5 ATOM 6311 H HB3 . GLN A 1 17 ? -9.310 7.232 -2.149 1.00 0.00 ? 17 GLN A HB3 5 ATOM 6312 H HG2 . GLN A 1 17 ? -10.537 8.695 -0.546 1.00 0.00 ? 17 GLN A HG2 5 ATOM 6313 H HG3 . GLN A 1 17 ? -9.219 9.857 -0.686 1.00 0.00 ? 17 GLN A HG3 5 ATOM 6314 H HE21 . GLN A 1 17 ? -9.846 11.487 -1.896 1.00 0.00 ? 17 GLN A HE21 5 ATOM 6315 H HE22 . GLN A 1 17 ? -10.731 11.379 -3.376 1.00 0.00 ? 17 GLN A HE22 5 ATOM 6316 N N . GLN A 1 18 ? -6.415 5.887 -1.098 1.00 0.00 ? 18 GLN A N 5 ATOM 6317 C CA . GLN A 1 18 ? -5.730 4.668 -1.512 1.00 0.00 ? 18 GLN A CA 5 ATOM 6318 C C . GLN A 1 18 ? -5.316 3.839 -0.301 1.00 0.00 ? 18 GLN A C 5 ATOM 6319 O O . GLN A 1 18 ? -5.678 2.668 -0.184 1.00 0.00 ? 18 GLN A O 5 ATOM 6320 C CB . GLN A 1 18 ? -4.501 5.010 -2.356 1.00 0.00 ? 18 GLN A CB 5 ATOM 6321 C CG . GLN A 1 18 ? -4.841 5.595 -3.716 1.00 0.00 ? 18 GLN A CG 5 ATOM 6322 C CD . GLN A 1 18 ? -5.611 4.627 -4.593 1.00 0.00 ? 18 GLN A CD 5 ATOM 6323 O OE1 . GLN A 1 18 ? -6.756 4.282 -4.300 1.00 0.00 ? 18 GLN A OE1 5 ATOM 6324 N NE2 . GLN A 1 18 ? -4.985 4.183 -5.676 1.00 0.00 ? 18 GLN A NE2 5 ATOM 6325 H H . GLN A 1 18 ? -5.935 6.739 -1.129 1.00 0.00 ? 18 GLN A H 5 ATOM 6326 H HA . GLN A 1 18 ? -6.417 4.089 -2.111 1.00 0.00 ? 18 GLN A HA 5 ATOM 6327 H HB2 . GLN A 1 18 ? -3.899 5.727 -1.819 1.00 0.00 ? 18 GLN A HB2 5 ATOM 6328 H HB3 . GLN A 1 18 ? -3.923 4.110 -2.509 1.00 0.00 ? 18 GLN A HB3 5 ATOM 6329 H HG2 . GLN A 1 18 ? -5.441 6.482 -3.573 1.00 0.00 ? 18 GLN A HG2 5 ATOM 6330 H HG3 . GLN A 1 18 ? -3.923 5.861 -4.219 1.00 0.00 ? 18 GLN A HG3 5 ATOM 6331 H HE21 . GLN A 1 18 ? -4.072 4.500 -5.846 1.00 0.00 ? 18 GLN A HE21 5 ATOM 6332 H HE22 . GLN A 1 18 ? -5.458 3.555 -6.260 1.00 0.00 ? 18 GLN A HE22 5 ATOM 6333 N N . SER A 1 19 ? -4.554 4.454 0.599 1.00 0.00 ? 19 SER A N 5 ATOM 6334 C CA . SER A 1 19 ? -4.087 3.771 1.799 1.00 0.00 ? 19 SER A CA 5 ATOM 6335 C C . SER A 1 19 ? -5.134 2.783 2.305 1.00 0.00 ? 19 SER A C 5 ATOM 6336 O O . SER A 1 19 ? -4.800 1.700 2.787 1.00 0.00 ? 19 SER A O 5 ATOM 6337 C CB . SER A 1 19 ? -3.757 4.787 2.894 1.00 0.00 ? 19 SER A CB 5 ATOM 6338 O OG . SER A 1 19 ? -3.392 4.138 4.100 1.00 0.00 ? 19 SER A OG 5 ATOM 6339 H H . SER A 1 19 ? -4.299 5.388 0.449 1.00 0.00 ? 19 SER A H 5 ATOM 6340 H HA . SER A 1 19 ? -3.190 3.227 1.543 1.00 0.00 ? 19 SER A HA 5 ATOM 6341 H HB2 . SER A 1 19 ? -2.936 5.408 2.570 1.00 0.00 ? 19 SER A HB2 5 ATOM 6342 H HB3 . SER A 1 19 ? -4.624 5.405 3.080 1.00 0.00 ? 19 SER A HB3 5 ATOM 6343 H HG . SER A 1 19 ? -2.666 3.533 3.930 1.00 0.00 ? 19 SER A HG 5 ATOM 6344 N N . ARG A 1 20 ? -6.402 3.165 2.191 1.00 0.00 ? 20 ARG A N 5 ATOM 6345 C CA . ARG A 1 20 ? -7.498 2.314 2.638 1.00 0.00 ? 20 ARG A CA 5 ATOM 6346 C C . ARG A 1 20 ? -7.568 1.036 1.807 1.00 0.00 ? 20 ARG A C 5 ATOM 6347 O O . ARG A 1 20 ? -7.610 -0.068 2.351 1.00 0.00 ? 20 ARG A O 5 ATOM 6348 C CB . ARG A 1 20 ? -8.826 3.068 2.546 1.00 0.00 ? 20 ARG A CB 5 ATOM 6349 C CG . ARG A 1 20 ? -8.932 4.237 3.511 1.00 0.00 ? 20 ARG A CG 5 ATOM 6350 C CD . ARG A 1 20 ? -10.130 5.117 3.192 1.00 0.00 ? 20 ARG A CD 5 ATOM 6351 N NE . ARG A 1 20 ? -11.393 4.458 3.511 1.00 0.00 ? 20 ARG A NE 5 ATOM 6352 C CZ . ARG A 1 20 ? -12.537 5.110 3.692 1.00 0.00 ? 20 ARG A CZ 5 ATOM 6353 N NH1 . ARG A 1 20 ? -12.575 6.430 3.584 1.00 0.00 ? 20 ARG A NH1 5 ATOM 6354 N NH2 . ARG A 1 20 ? -13.645 4.439 3.980 1.00 0.00 ? 20 ARG A NH2 5 ATOM 6355 H H . ARG A 1 20 ? -6.605 4.039 1.799 1.00 0.00 ? 20 ARG A H 5 ATOM 6356 H HA . ARG A 1 20 ? -7.315 2.050 3.669 1.00 0.00 ? 20 ARG A HA 5 ATOM 6357 H HB2 . ARG A 1 20 ? -8.943 3.447 1.541 1.00 0.00 ? 20 ARG A HB2 5 ATOM 6358 H HB3 . ARG A 1 20 ? -9.632 2.380 2.757 1.00 0.00 ? 20 ARG A HB3 5 ATOM 6359 H HG2 . ARG A 1 20 ? -9.038 3.854 4.515 1.00 0.00 ? 20 ARG A HG2 5 ATOM 6360 H HG3 . ARG A 1 20 ? -8.032 4.830 3.443 1.00 0.00 ? 20 ARG A HG3 5 ATOM 6361 H HD2 . ARG A 1 20 ? -10.054 6.027 3.767 1.00 0.00 ? 20 ARG A HD2 5 ATOM 6362 H HD3 . ARG A 1 20 ? -10.114 5.355 2.139 1.00 0.00 ? 20 ARG A HD3 5 ATOM 6363 H HE . ARG A 1 20 ? -11.388 3.482 3.595 1.00 0.00 ? 20 ARG A HE 5 ATOM 6364 H HH11 . ARG A 1 20 ? -11.742 6.938 3.366 1.00 0.00 ? 20 ARG A HH11 5 ATOM 6365 H HH12 . ARG A 1 20 ? -13.438 6.919 3.719 1.00 0.00 ? 20 ARG A HH12 5 ATOM 6366 H HH21 . ARG A 1 20 ? -13.620 3.444 4.061 1.00 0.00 ? 20 ARG A HH21 5 ATOM 6367 H HH22 . ARG A 1 20 ? -14.505 4.931 4.115 1.00 0.00 ? 20 ARG A HH22 5 ATOM 6368 N N . ARG A 1 21 ? -7.580 1.194 0.488 1.00 0.00 ? 21 ARG A N 5 ATOM 6369 C CA . ARG A 1 21 ? -7.646 0.053 -0.418 1.00 0.00 ? 21 ARG A CA 5 ATOM 6370 C C . ARG A 1 21 ? -6.554 -0.962 -0.094 1.00 0.00 ? 21 ARG A C 5 ATOM 6371 O O . ARG A 1 21 ? -6.830 -2.145 0.101 1.00 0.00 ? 21 ARG A O 5 ATOM 6372 C CB . ARG A 1 21 ? -7.512 0.518 -1.869 1.00 0.00 ? 21 ARG A CB 5 ATOM 6373 C CG . ARG A 1 21 ? -7.218 -0.610 -2.845 1.00 0.00 ? 21 ARG A CG 5 ATOM 6374 C CD . ARG A 1 21 ? -7.268 -0.126 -4.286 1.00 0.00 ? 21 ARG A CD 5 ATOM 6375 N NE . ARG A 1 21 ? -7.479 -1.225 -5.225 1.00 0.00 ? 21 ARG A NE 5 ATOM 6376 C CZ . ARG A 1 21 ? -8.647 -1.836 -5.390 1.00 0.00 ? 21 ARG A CZ 5 ATOM 6377 N NH1 . ARG A 1 21 ? -9.703 -1.457 -4.684 1.00 0.00 ? 21 ARG A NH1 5 ATOM 6378 N NH2 . ARG A 1 21 ? -8.760 -2.828 -6.265 1.00 0.00 ? 21 ARG A NH2 5 ATOM 6379 H H . ARG A 1 21 ? -7.545 2.099 0.114 1.00 0.00 ? 21 ARG A H 5 ATOM 6380 H HA . ARG A 1 21 ? -8.609 -0.419 -0.288 1.00 0.00 ? 21 ARG A HA 5 ATOM 6381 H HB2 . ARG A 1 21 ? -8.434 0.993 -2.169 1.00 0.00 ? 21 ARG A HB2 5 ATOM 6382 H HB3 . ARG A 1 21 ? -6.709 1.236 -1.931 1.00 0.00 ? 21 ARG A HB3 5 ATOM 6383 H HG2 . ARG A 1 21 ? -6.232 -1.001 -2.642 1.00 0.00 ? 21 ARG A HG2 5 ATOM 6384 H HG3 . ARG A 1 21 ? -7.953 -1.390 -2.710 1.00 0.00 ? 21 ARG A HG3 5 ATOM 6385 H HD2 . ARG A 1 21 ? -8.078 0.581 -4.386 1.00 0.00 ? 21 ARG A HD2 5 ATOM 6386 H HD3 . ARG A 1 21 ? -6.334 0.361 -4.520 1.00 0.00 ? 21 ARG A HD3 5 ATOM 6387 H HE . ARG A 1 21 ? -6.712 -1.521 -5.757 1.00 0.00 ? 21 ARG A HE 5 ATOM 6388 H HH11 . ARG A 1 21 ? -9.621 -0.710 -4.026 1.00 0.00 ? 21 ARG A HH11 5 ATOM 6389 H HH12 . ARG A 1 21 ? -10.582 -1.919 -4.812 1.00 0.00 ? 21 ARG A HH12 5 ATOM 6390 H HH21 . ARG A 1 21 ? -7.966 -3.116 -6.799 1.00 0.00 ? 21 ARG A HH21 5 ATOM 6391 H HH22 . ARG A 1 21 ? -9.639 -3.287 -6.388 1.00 0.00 ? 21 ARG A HH22 5 ATOM 6392 N N . ALA A 1 22 ? -5.312 -0.490 -0.039 1.00 0.00 ? 22 ALA A N 5 ATOM 6393 C CA . ALA A 1 22 ? -4.179 -1.356 0.262 1.00 0.00 ? 22 ALA A CA 5 ATOM 6394 C C . ALA A 1 22 ? -4.422 -2.155 1.537 1.00 0.00 ? 22 ALA A C 5 ATOM 6395 O O . ALA A 1 22 ? -4.106 -3.343 1.606 1.00 0.00 ? 22 ALA A O 5 ATOM 6396 C CB . ALA A 1 22 ? -2.905 -0.533 0.387 1.00 0.00 ? 22 ALA A CB 5 ATOM 6397 H H . ALA A 1 22 ? -5.156 0.463 -0.204 1.00 0.00 ? 22 ALA A H 5 ATOM 6398 H HA . ALA A 1 22 ? -4.055 -2.042 -0.564 1.00 0.00 ? 22 ALA A HA 5 ATOM 6399 H HB1 . ALA A 1 22 ? -2.889 -0.041 1.349 1.00 0.00 ? 22 ALA A HB1 5 ATOM 6400 H HB2 . ALA A 1 22 ? -2.047 -1.182 0.300 1.00 0.00 ? 22 ALA A HB2 5 ATOM 6401 H HB3 . ALA A 1 22 ? -2.877 0.209 -0.397 1.00 0.00 ? 22 ALA A HB3 5 ATOM 6402 N N . ASP A 1 23 ? -4.984 -1.496 2.544 1.00 0.00 ? 23 ASP A N 5 ATOM 6403 C CA . ASP A 1 23 ? -5.270 -2.146 3.818 1.00 0.00 ? 23 ASP A CA 5 ATOM 6404 C C . ASP A 1 23 ? -6.330 -3.231 3.649 1.00 0.00 ? 23 ASP A C 5 ATOM 6405 O O . ASP A 1 23 ? -6.129 -4.377 4.051 1.00 0.00 ? 23 ASP A O 5 ATOM 6406 C CB . ASP A 1 23 ? -5.737 -1.116 4.847 1.00 0.00 ? 23 ASP A CB 5 ATOM 6407 C CG . ASP A 1 23 ? -4.582 -0.490 5.604 1.00 0.00 ? 23 ASP A CG 5 ATOM 6408 O OD1 . ASP A 1 23 ? -3.452 -0.496 5.074 1.00 0.00 ? 23 ASP A OD1 5 ATOM 6409 O OD2 . ASP A 1 23 ? -4.809 0.007 6.727 1.00 0.00 ? 23 ASP A OD2 5 ATOM 6410 H H . ASP A 1 23 ? -5.214 -0.550 2.428 1.00 0.00 ? 23 ASP A H 5 ATOM 6411 H HA . ASP A 1 23 ? -4.358 -2.604 4.169 1.00 0.00 ? 23 ASP A HA 5 ATOM 6412 H HB2 . ASP A 1 23 ? -6.279 -0.330 4.341 1.00 0.00 ? 23 ASP A HB2 5 ATOM 6413 H HB3 . ASP A 1 23 ? -6.391 -1.598 5.559 1.00 0.00 ? 23 ASP A HB3 5 ATOM 6414 N N . ARG A 1 24 ? -7.458 -2.860 3.053 1.00 0.00 ? 24 ARG A N 5 ATOM 6415 C CA . ARG A 1 24 ? -8.550 -3.801 2.833 1.00 0.00 ? 24 ARG A CA 5 ATOM 6416 C C . ARG A 1 24 ? -8.074 -5.010 2.034 1.00 0.00 ? 24 ARG A C 5 ATOM 6417 O O . ARG A 1 24 ? -8.568 -6.124 2.218 1.00 0.00 ? 24 ARG A O 5 ATOM 6418 C CB . ARG A 1 24 ? -9.704 -3.114 2.099 1.00 0.00 ? 24 ARG A CB 5 ATOM 6419 C CG . ARG A 1 24 ? -10.667 -2.388 3.024 1.00 0.00 ? 24 ARG A CG 5 ATOM 6420 C CD . ARG A 1 24 ? -11.631 -3.355 3.694 1.00 0.00 ? 24 ARG A CD 5 ATOM 6421 N NE . ARG A 1 24 ? -12.720 -3.748 2.803 1.00 0.00 ? 24 ARG A NE 5 ATOM 6422 C CZ . ARG A 1 24 ? -13.702 -4.567 3.160 1.00 0.00 ? 24 ARG A CZ 5 ATOM 6423 N NH1 . ARG A 1 24 ? -13.733 -5.077 4.384 1.00 0.00 ? 24 ARG A NH1 5 ATOM 6424 N NH2 . ARG A 1 24 ? -14.657 -4.878 2.293 1.00 0.00 ? 24 ARG A NH2 5 ATOM 6425 H H . ARG A 1 24 ? -7.559 -1.933 2.754 1.00 0.00 ? 24 ARG A H 5 ATOM 6426 H HA . ARG A 1 24 ? -8.899 -4.137 3.798 1.00 0.00 ? 24 ARG A HA 5 ATOM 6427 H HB2 . ARG A 1 24 ? -9.295 -2.394 1.405 1.00 0.00 ? 24 ARG A HB2 5 ATOM 6428 H HB3 . ARG A 1 24 ? -10.258 -3.858 1.549 1.00 0.00 ? 24 ARG A HB3 5 ATOM 6429 H HG2 . ARG A 1 24 ? -10.102 -1.874 3.787 1.00 0.00 ? 24 ARG A HG2 5 ATOM 6430 H HG3 . ARG A 1 24 ? -11.233 -1.671 2.447 1.00 0.00 ? 24 ARG A HG3 5 ATOM 6431 H HD2 . ARG A 1 24 ? -11.086 -4.238 3.991 1.00 0.00 ? 24 ARG A HD2 5 ATOM 6432 H HD3 . ARG A 1 24 ? -12.048 -2.878 4.568 1.00 0.00 ? 24 ARG A HD3 5 ATOM 6433 H HE . ARG A 1 24 ? -12.717 -3.383 1.894 1.00 0.00 ? 24 ARG A HE 5 ATOM 6434 H HH11 . ARG A 1 24 ? -13.015 -4.844 5.040 1.00 0.00 ? 24 ARG A HH11 5 ATOM 6435 H HH12 . ARG A 1 24 ? -14.475 -5.693 4.651 1.00 0.00 ? 24 ARG A HH12 5 ATOM 6436 H HH21 . ARG A 1 24 ? -14.638 -4.495 1.370 1.00 0.00 ? 24 ARG A HH21 5 ATOM 6437 H HH22 . ARG A 1 24 ? -15.396 -5.495 2.563 1.00 0.00 ? 24 ARG A HH22 5 ATOM 6438 N N . LEU A 1 25 ? -7.112 -4.784 1.146 1.00 0.00 ? 25 LEU A N 5 ATOM 6439 C CA . LEU A 1 25 ? -6.569 -5.855 0.318 1.00 0.00 ? 25 LEU A CA 5 ATOM 6440 C C . LEU A 1 25 ? -5.658 -6.766 1.134 1.00 0.00 ? 25 LEU A C 5 ATOM 6441 O O . LEU A 1 25 ? -5.647 -7.983 0.945 1.00 0.00 ? 25 LEU A O 5 ATOM 6442 C CB . LEU A 1 25 ? -5.795 -5.270 -0.865 1.00 0.00 ? 25 LEU A CB 5 ATOM 6443 C CG . LEU A 1 25 ? -6.637 -4.598 -1.951 1.00 0.00 ? 25 LEU A CG 5 ATOM 6444 C CD1 . LEU A 1 25 ? -5.829 -3.527 -2.667 1.00 0.00 ? 25 LEU A CD1 5 ATOM 6445 C CD2 . LEU A 1 25 ? -7.152 -5.632 -2.942 1.00 0.00 ? 25 LEU A CD2 5 ATOM 6446 H H . LEU A 1 25 ? -6.759 -3.877 1.044 1.00 0.00 ? 25 LEU A H 5 ATOM 6447 H HA . LEU A 1 25 ? -7.397 -6.437 -0.057 1.00 0.00 ? 25 LEU A HA 5 ATOM 6448 H HB2 . LEU A 1 25 ? -5.107 -4.534 -0.478 1.00 0.00 ? 25 LEU A HB2 5 ATOM 6449 H HB3 . LEU A 1 25 ? -5.239 -6.074 -1.326 1.00 0.00 ? 25 LEU A HB3 5 ATOM 6450 H HG . LEU A 1 25 ? -7.491 -4.120 -1.491 1.00 0.00 ? 25 LEU A HG 5 ATOM 6451 H HD11 . LEU A 1 25 ? -6.431 -3.079 -3.442 1.00 0.00 ? 25 LEU A HD11 5 ATOM 6452 H HD12 . LEU A 1 25 ? -4.949 -3.974 -3.107 1.00 0.00 ? 25 LEU A HD12 5 ATOM 6453 H HD13 . LEU A 1 25 ? -5.530 -2.768 -1.958 1.00 0.00 ? 25 LEU A HD13 5 ATOM 6454 H HD21 . LEU A 1 25 ? -8.168 -5.391 -3.217 1.00 0.00 ? 25 LEU A HD21 5 ATOM 6455 H HD22 . LEU A 1 25 ? -7.125 -6.611 -2.487 1.00 0.00 ? 25 LEU A HD22 5 ATOM 6456 H HD23 . LEU A 1 25 ? -6.529 -5.626 -3.824 1.00 0.00 ? 25 LEU A HD23 5 ATOM 6457 N N . LEU A 1 26 ? -4.896 -6.170 2.045 1.00 0.00 ? 26 LEU A N 5 ATOM 6458 C CA . LEU A 1 26 ? -3.983 -6.928 2.893 1.00 0.00 ? 26 LEU A CA 5 ATOM 6459 C C . LEU A 1 26 ? -4.742 -7.950 3.733 1.00 0.00 ? 26 LEU A C 5 ATOM 6460 O O . LEU A 1 26 ? -4.271 -9.067 3.944 1.00 0.00 ? 26 LEU A O 5 ATOM 6461 C CB . LEU A 1 26 ? -3.199 -5.982 3.805 1.00 0.00 ? 26 LEU A CB 5 ATOM 6462 C CG . LEU A 1 26 ? -2.641 -6.597 5.089 1.00 0.00 ? 26 LEU A CG 5 ATOM 6463 C CD1 . LEU A 1 26 ? -1.473 -7.519 4.775 1.00 0.00 ? 26 LEU A CD1 5 ATOM 6464 C CD2 . LEU A 1 26 ? -2.216 -5.507 6.062 1.00 0.00 ? 26 LEU A CD2 5 ATOM 6465 H H . LEU A 1 26 ? -4.948 -5.198 2.150 1.00 0.00 ? 26 LEU A H 5 ATOM 6466 H HA . LEU A 1 26 ? -3.290 -7.451 2.250 1.00 0.00 ? 26 LEU A HA 5 ATOM 6467 H HB2 . LEU A 1 26 ? -2.369 -5.590 3.239 1.00 0.00 ? 26 LEU A HB2 5 ATOM 6468 H HB3 . LEU A 1 26 ? -3.858 -5.172 4.084 1.00 0.00 ? 26 LEU A HB3 5 ATOM 6469 H HG . LEU A 1 26 ? -3.413 -7.187 5.563 1.00 0.00 ? 26 LEU A HG 5 ATOM 6470 H HD11 . LEU A 1 26 ? -1.829 -8.376 4.224 1.00 0.00 ? 26 LEU A HD11 5 ATOM 6471 H HD12 . LEU A 1 26 ? -1.017 -7.849 5.697 1.00 0.00 ? 26 LEU A HD12 5 ATOM 6472 H HD13 . LEU A 1 26 ? -0.743 -6.986 4.184 1.00 0.00 ? 26 LEU A HD13 5 ATOM 6473 H HD21 . LEU A 1 26 ? -1.634 -5.944 6.859 1.00 0.00 ? 26 LEU A HD21 5 ATOM 6474 H HD22 . LEU A 1 26 ? -3.094 -5.031 6.475 1.00 0.00 ? 26 LEU A HD22 5 ATOM 6475 H HD23 . LEU A 1 26 ? -1.620 -4.772 5.541 1.00 0.00 ? 26 LEU A HD23 5 ATOM 6476 N N . ALA A 1 27 ? -5.920 -7.560 4.208 1.00 0.00 ? 27 ALA A N 5 ATOM 6477 C CA . ALA A 1 27 ? -6.746 -8.444 5.022 1.00 0.00 ? 27 ALA A CA 5 ATOM 6478 C C . ALA A 1 27 ? -7.213 -9.652 4.218 1.00 0.00 ? 27 ALA A C 5 ATOM 6479 O O . ALA A 1 27 ? -7.386 -10.742 4.762 1.00 0.00 ? 27 ALA A O 5 ATOM 6480 C CB . ALA A 1 27 ? -7.941 -7.684 5.579 1.00 0.00 ? 27 ALA A CB 5 ATOM 6481 H H . ALA A 1 27 ? -6.242 -6.657 4.006 1.00 0.00 ? 27 ALA A H 5 ATOM 6482 H HA . ALA A 1 27 ? -6.149 -8.787 5.854 1.00 0.00 ? 27 ALA A HA 5 ATOM 6483 H HB1 . ALA A 1 27 ? -7.841 -7.595 6.651 1.00 0.00 ? 27 ALA A HB1 5 ATOM 6484 H HB2 . ALA A 1 27 ? -7.979 -6.700 5.137 1.00 0.00 ? 27 ALA A HB2 5 ATOM 6485 H HB3 . ALA A 1 27 ? -8.848 -8.220 5.345 1.00 0.00 ? 27 ALA A HB3 5 ATOM 6486 N N . ALA A 1 28 ? -7.417 -9.451 2.920 1.00 0.00 ? 28 ALA A N 5 ATOM 6487 C CA . ALA A 1 28 ? -7.863 -10.525 2.041 1.00 0.00 ? 28 ALA A CA 5 ATOM 6488 C C . ALA A 1 28 ? -6.677 -11.296 1.470 1.00 0.00 ? 28 ALA A C 5 ATOM 6489 O O . ALA A 1 28 ? -6.839 -12.144 0.594 1.00 0.00 ? 28 ALA A O 5 ATOM 6490 C CB . ALA A 1 28 ? -8.721 -9.965 0.917 1.00 0.00 ? 28 ALA A CB 5 ATOM 6491 H H . ALA A 1 28 ? -7.261 -8.560 2.544 1.00 0.00 ? 28 ALA A H 5 ATOM 6492 H HA . ALA A 1 28 ? -8.472 -11.202 2.623 1.00 0.00 ? 28 ALA A HA 5 ATOM 6493 H HB1 . ALA A 1 28 ? -8.210 -9.133 0.455 1.00 0.00 ? 28 ALA A HB1 5 ATOM 6494 H HB2 . ALA A 1 28 ? -8.896 -10.735 0.180 1.00 0.00 ? 28 ALA A HB2 5 ATOM 6495 H HB3 . ALA A 1 28 ? -9.666 -9.630 1.319 1.00 0.00 ? 28 ALA A HB3 5 ATOM 6496 N N . GLY A 1 29 ? -5.483 -10.994 1.972 1.00 0.00 ? 29 GLY A N 5 ATOM 6497 C CA . GLY A 1 29 ? -4.288 -11.666 1.499 1.00 0.00 ? 29 GLY A CA 5 ATOM 6498 C C . GLY A 1 29 ? -3.865 -11.197 0.121 1.00 0.00 ? 29 GLY A C 5 ATOM 6499 O O . GLY A 1 29 ? -3.017 -11.816 -0.521 1.00 0.00 ? 29 GLY A O 5 ATOM 6500 H H . GLY A 1 29 ? -5.414 -10.308 2.670 1.00 0.00 ? 29 GLY A H 5 ATOM 6501 H HA2 . GLY A 1 29 ? -3.483 -11.478 2.194 1.00 0.00 ? 29 GLY A HA2 5 ATOM 6502 H HA3 . GLY A 1 29 ? -4.477 -12.729 1.462 1.00 0.00 ? 29 GLY A HA3 5 ATOM 6503 N N . LYS A 1 30 ? -4.459 -10.100 -0.336 1.00 0.00 ? 30 LYS A N 5 ATOM 6504 C CA . LYS A 1 30 ? -4.141 -9.547 -1.647 1.00 0.00 ? 30 LYS A CA 5 ATOM 6505 C C . LYS A 1 30 ? -2.915 -8.642 -1.573 1.00 0.00 ? 30 LYS A C 5 ATOM 6506 O O . LYS A 1 30 ? -2.914 -7.536 -2.116 1.00 0.00 ? 30 LYS A O 5 ATOM 6507 C CB . LYS A 1 30 ? -5.334 -8.763 -2.197 1.00 0.00 ? 30 LYS A CB 5 ATOM 6508 C CG . LYS A 1 30 ? -6.525 -9.637 -2.551 1.00 0.00 ? 30 LYS A CG 5 ATOM 6509 C CD . LYS A 1 30 ? -6.364 -10.270 -3.922 1.00 0.00 ? 30 LYS A CD 5 ATOM 6510 C CE . LYS A 1 30 ? -7.708 -10.660 -4.517 1.00 0.00 ? 30 LYS A CE 5 ATOM 6511 N NZ . LYS A 1 30 ? -7.585 -11.804 -5.463 1.00 0.00 ? 30 LYS A NZ 5 ATOM 6512 H H . LYS A 1 30 ? -5.127 -9.650 0.223 1.00 0.00 ? 30 LYS A H 5 ATOM 6513 H HA . LYS A 1 30 ? -3.925 -10.370 -2.311 1.00 0.00 ? 30 LYS A HA 5 ATOM 6514 H HB2 . LYS A 1 30 ? -5.650 -8.044 -1.455 1.00 0.00 ? 30 LYS A HB2 5 ATOM 6515 H HB3 . LYS A 1 30 ? -5.024 -8.235 -3.087 1.00 0.00 ? 30 LYS A HB3 5 ATOM 6516 H HG2 . LYS A 1 30 ? -6.617 -10.420 -1.813 1.00 0.00 ? 30 LYS A HG2 5 ATOM 6517 H HG3 . LYS A 1 30 ? -7.419 -9.030 -2.547 1.00 0.00 ? 30 LYS A HG3 5 ATOM 6518 H HD2 . LYS A 1 30 ? -5.884 -9.562 -4.582 1.00 0.00 ? 30 LYS A HD2 5 ATOM 6519 H HD3 . LYS A 1 30 ? -5.750 -11.154 -3.831 1.00 0.00 ? 30 LYS A HD3 5 ATOM 6520 H HE2 . LYS A 1 30 ? -8.375 -10.938 -3.716 1.00 0.00 ? 30 LYS A HE2 5 ATOM 6521 H HE3 . LYS A 1 30 ? -8.114 -9.810 -5.045 1.00 0.00 ? 30 LYS A HE3 5 ATOM 6522 H HZ1 . LYS A 1 30 ? -8.443 -11.879 -6.046 1.00 0.00 ? 30 LYS A HZ1 5 ATOM 6523 H HZ2 . LYS A 1 30 ? -7.459 -12.692 -4.935 1.00 0.00 ? 30 LYS A HZ2 5 ATOM 6524 H HZ3 . LYS A 1 30 ? -6.765 -11.665 -6.087 1.00 0.00 ? 30 LYS A HZ3 5 ATOM 6525 N N . TYR A 1 31 ? -1.874 -9.118 -0.900 1.00 0.00 ? 31 TYR A N 5 ATOM 6526 C CA . TYR A 1 31 ? -0.642 -8.351 -0.755 1.00 0.00 ? 31 TYR A CA 5 ATOM 6527 C C . TYR A 1 31 ? -0.305 -7.612 -2.046 1.00 0.00 ? 31 TYR A C 5 ATOM 6528 O O . TYR A 1 31 ? -0.326 -6.382 -2.093 1.00 0.00 ? 31 TYR A O 5 ATOM 6529 C CB . TYR A 1 31 ? 0.515 -9.272 -0.365 1.00 0.00 ? 31 TYR A CB 5 ATOM 6530 C CG . TYR A 1 31 ? 0.312 -9.971 0.961 1.00 0.00 ? 31 TYR A CG 5 ATOM 6531 C CD1 . TYR A 1 31 ? 0.361 -9.263 2.156 1.00 0.00 ? 31 TYR A CD1 5 ATOM 6532 C CD2 . TYR A 1 31 ? 0.072 -11.338 1.019 1.00 0.00 ? 31 TYR A CD2 5 ATOM 6533 C CE1 . TYR A 1 31 ? 0.177 -9.897 3.370 1.00 0.00 ? 31 TYR A CE1 5 ATOM 6534 C CE2 . TYR A 1 31 ? -0.114 -11.980 2.228 1.00 0.00 ? 31 TYR A CE2 5 ATOM 6535 C CZ . TYR A 1 31 ? -0.061 -11.255 3.401 1.00 0.00 ? 31 TYR A CZ 5 ATOM 6536 O OH . TYR A 1 31 ? -0.245 -11.891 4.607 1.00 0.00 ? 31 TYR A OH 5 ATOM 6537 H H . TYR A 1 31 ? -1.935 -10.005 -0.489 1.00 0.00 ? 31 TYR A H 5 ATOM 6538 H HA . TYR A 1 31 ? -0.793 -7.626 0.032 1.00 0.00 ? 31 TYR A HA 5 ATOM 6539 H HB2 . TYR A 1 31 ? 0.633 -10.031 -1.123 1.00 0.00 ? 31 TYR A HB2 5 ATOM 6540 H HB3 . TYR A 1 31 ? 1.422 -8.691 -0.298 1.00 0.00 ? 31 TYR A HB3 5 ATOM 6541 H HD1 . TYR A 1 31 ? 0.547 -8.199 2.129 1.00 0.00 ? 31 TYR A HD1 5 ATOM 6542 H HD2 . TYR A 1 31 ? 0.032 -11.903 0.099 1.00 0.00 ? 31 TYR A HD2 5 ATOM 6543 H HE1 . TYR A 1 31 ? 0.218 -9.329 4.288 1.00 0.00 ? 31 TYR A HE1 5 ATOM 6544 H HE2 . TYR A 1 31 ? -0.300 -13.043 2.253 1.00 0.00 ? 31 TYR A HE2 5 ATOM 6545 H HH . TYR A 1 31 ? -0.078 -11.273 5.323 1.00 0.00 ? 31 TYR A HH 5 ATOM 6546 N N . GLU A 1 32 ? 0.006 -8.372 -3.091 1.00 0.00 ? 32 GLU A N 5 ATOM 6547 C CA . GLU A 1 32 ? 0.348 -7.789 -4.384 1.00 0.00 ? 32 GLU A CA 5 ATOM 6548 C C . GLU A 1 32 ? -0.524 -6.572 -4.680 1.00 0.00 ? 32 GLU A C 5 ATOM 6549 O O . GLU A 1 32 ? -0.031 -5.448 -4.762 1.00 0.00 ? 32 GLU A O 5 ATOM 6550 C CB . GLU A 1 32 ? 0.187 -8.829 -5.495 1.00 0.00 ? 32 GLU A CB 5 ATOM 6551 C CG . GLU A 1 32 ? 0.773 -8.391 -6.827 1.00 0.00 ? 32 GLU A CG 5 ATOM 6552 C CD . GLU A 1 32 ? -0.216 -7.611 -7.671 1.00 0.00 ? 32 GLU A CD 5 ATOM 6553 O OE1 . GLU A 1 32 ? -1.422 -7.930 -7.621 1.00 0.00 ? 32 GLU A OE1 5 ATOM 6554 O OE2 . GLU A 1 32 ? 0.217 -6.680 -8.383 1.00 0.00 ? 32 GLU A OE2 5 ATOM 6555 H H . GLU A 1 32 ? 0.005 -9.346 -2.991 1.00 0.00 ? 32 GLU A H 5 ATOM 6556 H HA . GLU A 1 32 ? 1.380 -7.476 -4.344 1.00 0.00 ? 32 GLU A HA 5 ATOM 6557 H HB2 . GLU A 1 32 ? 0.677 -9.742 -5.191 1.00 0.00 ? 32 GLU A HB2 5 ATOM 6558 H HB3 . GLU A 1 32 ? -0.866 -9.026 -5.637 1.00 0.00 ? 32 GLU A HB3 5 ATOM 6559 H HG2 . GLU A 1 32 ? 1.634 -7.767 -6.639 1.00 0.00 ? 32 GLU A HG2 5 ATOM 6560 H HG3 . GLU A 1 32 ? 1.079 -9.269 -7.377 1.00 0.00 ? 32 GLU A HG3 5 ATOM 6561 N N . GLU A 1 33 ? -1.823 -6.807 -4.840 1.00 0.00 ? 33 GLU A N 5 ATOM 6562 C CA . GLU A 1 33 ? -2.763 -5.731 -5.129 1.00 0.00 ? 33 GLU A CA 5 ATOM 6563 C C . GLU A 1 33 ? -2.422 -4.480 -4.324 1.00 0.00 ? 33 GLU A C 5 ATOM 6564 O O . GLU A 1 33 ? -2.420 -3.369 -4.854 1.00 0.00 ? 33 GLU A O 5 ATOM 6565 C CB . GLU A 1 33 ? -4.194 -6.176 -4.819 1.00 0.00 ? 33 GLU A CB 5 ATOM 6566 C CG . GLU A 1 33 ? -4.605 -7.449 -5.539 1.00 0.00 ? 33 GLU A CG 5 ATOM 6567 C CD . GLU A 1 33 ? -4.441 -7.348 -7.043 1.00 0.00 ? 33 GLU A CD 5 ATOM 6568 O OE1 . GLU A 1 33 ? -4.679 -6.252 -7.592 1.00 0.00 ? 33 GLU A OE1 5 ATOM 6569 O OE2 . GLU A 1 33 ? -4.074 -8.363 -7.671 1.00 0.00 ? 33 GLU A OE2 5 ATOM 6570 H H . GLU A 1 33 ? -2.156 -7.726 -4.763 1.00 0.00 ? 33 GLU A H 5 ATOM 6571 H HA . GLU A 1 33 ? -2.689 -5.498 -6.181 1.00 0.00 ? 33 GLU A HA 5 ATOM 6572 H HB2 . GLU A 1 33 ? -4.284 -6.343 -3.756 1.00 0.00 ? 33 GLU A HB2 5 ATOM 6573 H HB3 . GLU A 1 33 ? -4.874 -5.389 -5.108 1.00 0.00 ? 33 GLU A HB3 5 ATOM 6574 H HG2 . GLU A 1 33 ? -3.994 -8.264 -5.180 1.00 0.00 ? 33 GLU A HG2 5 ATOM 6575 H HG3 . GLU A 1 33 ? -5.642 -7.655 -5.318 1.00 0.00 ? 33 GLU A HG3 5 ATOM 6576 N N . ALA A 1 34 ? -2.136 -4.670 -3.040 1.00 0.00 ? 34 ALA A N 5 ATOM 6577 C CA . ALA A 1 34 ? -1.792 -3.559 -2.162 1.00 0.00 ? 34 ALA A CA 5 ATOM 6578 C C . ALA A 1 34 ? -0.452 -2.945 -2.551 1.00 0.00 ? 34 ALA A C 5 ATOM 6579 O O . ALA A 1 34 ? -0.315 -1.723 -2.620 1.00 0.00 ? 34 ALA A O 5 ATOM 6580 C CB . ALA A 1 34 ? -1.762 -4.021 -0.712 1.00 0.00 ? 34 ALA A CB 5 ATOM 6581 H H . ALA A 1 34 ? -2.155 -5.579 -2.676 1.00 0.00 ? 34 ALA A H 5 ATOM 6582 H HA . ALA A 1 34 ? -2.563 -2.807 -2.258 1.00 0.00 ? 34 ALA A HA 5 ATOM 6583 H HB1 . ALA A 1 34 ? -2.343 -3.342 -0.106 1.00 0.00 ? 34 ALA A HB1 5 ATOM 6584 H HB2 . ALA A 1 34 ? -2.181 -5.014 -0.643 1.00 0.00 ? 34 ALA A HB2 5 ATOM 6585 H HB3 . ALA A 1 34 ? -0.742 -4.035 -0.360 1.00 0.00 ? 34 ALA A HB3 5 ATOM 6586 N N . ILE A 1 35 ? 0.534 -3.800 -2.804 1.00 0.00 ? 35 ILE A N 5 ATOM 6587 C CA . ILE A 1 35 ? 1.863 -3.341 -3.186 1.00 0.00 ? 35 ILE A CA 5 ATOM 6588 C C . ILE A 1 35 ? 1.781 -2.191 -4.184 1.00 0.00 ? 35 ILE A C 5 ATOM 6589 O O . ILE A 1 35 ? 2.327 -1.113 -3.951 1.00 0.00 ? 35 ILE A O 5 ATOM 6590 C CB . ILE A 1 35 ? 2.697 -4.481 -3.801 1.00 0.00 ? 35 ILE A CB 5 ATOM 6591 C CG1 . ILE A 1 35 ? 2.988 -5.553 -2.750 1.00 0.00 ? 35 ILE A CG1 5 ATOM 6592 C CG2 . ILE A 1 35 ? 3.993 -3.935 -4.381 1.00 0.00 ? 35 ILE A CG2 5 ATOM 6593 C CD1 . ILE A 1 35 ? 3.665 -6.783 -3.313 1.00 0.00 ? 35 ILE A CD1 5 ATOM 6594 H H . ILE A 1 35 ? 0.362 -4.762 -2.731 1.00 0.00 ? 35 ILE A H 5 ATOM 6595 H HA . ILE A 1 35 ? 2.365 -2.995 -2.295 1.00 0.00 ? 35 ILE A HA 5 ATOM 6596 H HB . ILE A 1 35 ? 2.127 -4.920 -4.606 1.00 0.00 ? 35 ILE A HB 5 ATOM 6597 H HG12 . ILE A 1 35 ? 3.632 -5.139 -1.990 1.00 0.00 ? 35 ILE A HG12 5 ATOM 6598 H HG13 . ILE A 1 35 ? 2.057 -5.864 -2.297 1.00 0.00 ? 35 ILE A HG13 5 ATOM 6599 H HG21 . ILE A 1 35 ? 4.627 -3.585 -3.580 1.00 0.00 ? 35 ILE A HG21 5 ATOM 6600 H HG22 . ILE A 1 35 ? 4.501 -4.717 -4.925 1.00 0.00 ? 35 ILE A HG22 5 ATOM 6601 H HG23 . ILE A 1 35 ? 3.772 -3.116 -5.049 1.00 0.00 ? 35 ILE A HG23 5 ATOM 6602 H HD11 . ILE A 1 35 ? 3.098 -7.662 -3.043 1.00 0.00 ? 35 ILE A HD11 5 ATOM 6603 H HD12 . ILE A 1 35 ? 3.719 -6.705 -4.388 1.00 0.00 ? 35 ILE A HD12 5 ATOM 6604 H HD13 . ILE A 1 35 ? 4.663 -6.862 -2.907 1.00 0.00 ? 35 ILE A HD13 5 ATOM 6605 N N . SER A 1 36 ? 1.094 -2.427 -5.297 1.00 0.00 ? 36 SER A N 5 ATOM 6606 C CA . SER A 1 36 ? 0.941 -1.412 -6.332 1.00 0.00 ? 36 SER A CA 5 ATOM 6607 C C . SER A 1 36 ? 0.211 -0.187 -5.789 1.00 0.00 ? 36 SER A C 5 ATOM 6608 O O . SER A 1 36 ? 0.623 0.949 -6.023 1.00 0.00 ? 36 SER A O 5 ATOM 6609 C CB . SER A 1 36 ? 0.180 -1.984 -7.530 1.00 0.00 ? 36 SER A CB 5 ATOM 6610 O OG . SER A 1 36 ? -1.058 -2.544 -7.127 1.00 0.00 ? 36 SER A OG 5 ATOM 6611 H H . SER A 1 36 ? 0.681 -3.307 -5.425 1.00 0.00 ? 36 SER A H 5 ATOM 6612 H HA . SER A 1 36 ? 1.929 -1.115 -6.653 1.00 0.00 ? 36 SER A HA 5 ATOM 6613 H HB2 . SER A 1 36 ? -0.010 -1.196 -8.242 1.00 0.00 ? 36 SER A HB2 5 ATOM 6614 H HB3 . SER A 1 36 ? 0.776 -2.755 -7.996 1.00 0.00 ? 36 SER A HB3 5 ATOM 6615 H HG . SER A 1 36 ? -1.756 -1.896 -7.244 1.00 0.00 ? 36 SER A HG 5 ATOM 6616 N N . CYS A 1 37 ? -0.875 -0.428 -5.063 1.00 0.00 ? 37 CYS A N 5 ATOM 6617 C CA . CYS A 1 37 ? -1.665 0.654 -4.486 1.00 0.00 ? 37 CYS A CA 5 ATOM 6618 C C . CYS A 1 37 ? -0.765 1.677 -3.799 1.00 0.00 ? 37 CYS A C 5 ATOM 6619 O O . CYS A 1 37 ? -1.031 2.879 -3.840 1.00 0.00 ? 37 CYS A O 5 ATOM 6620 C CB . CYS A 1 37 ? -2.679 0.096 -3.487 1.00 0.00 ? 37 CYS A CB 5 ATOM 6621 S SG . CYS A 1 37 ? -3.907 -1.010 -4.220 1.00 0.00 ? 37 CYS A SG 5 ATOM 6622 H H . CYS A 1 37 ? -1.154 -1.356 -4.911 1.00 0.00 ? 37 CYS A H 5 ATOM 6623 H HA . CYS A 1 37 ? -2.195 1.141 -5.290 1.00 0.00 ? 37 CYS A HA 5 ATOM 6624 H HB2 . CYS A 1 37 ? -2.154 -0.458 -2.723 1.00 0.00 ? 37 CYS A HB2 5 ATOM 6625 H HB3 . CYS A 1 37 ? -3.208 0.918 -3.026 1.00 0.00 ? 37 CYS A HB3 5 ATOM 6626 H HG . CYS A 1 37 ? -4.330 -0.460 -5.348 1.00 0.00 ? 37 CYS A HG 5 ATOM 6627 N N . HIS A 1 38 ? 0.299 1.192 -3.168 1.00 0.00 ? 38 HIS A N 5 ATOM 6628 C CA . HIS A 1 38 ? 1.238 2.064 -2.471 1.00 0.00 ? 38 HIS A CA 5 ATOM 6629 C C . HIS A 1 38 ? 2.122 2.813 -3.463 1.00 0.00 ? 38 HIS A C 5 ATOM 6630 O O . HIS A 1 38 ? 2.425 3.991 -3.272 1.00 0.00 ? 38 HIS A O 5 ATOM 6631 C CB . HIS A 1 38 ? 2.104 1.251 -1.509 1.00 0.00 ? 38 HIS A CB 5 ATOM 6632 C CG . HIS A 1 38 ? 1.404 0.880 -0.239 1.00 0.00 ? 38 HIS A CG 5 ATOM 6633 N ND1 . HIS A 1 38 ? 0.625 1.765 0.477 1.00 0.00 ? 38 HIS A ND1 5 ATOM 6634 C CD2 . HIS A 1 38 ? 1.366 -0.289 0.443 1.00 0.00 ? 38 HIS A CD2 5 ATOM 6635 C CE1 . HIS A 1 38 ? 0.140 1.156 1.545 1.00 0.00 ? 38 HIS A CE1 5 ATOM 6636 N NE2 . HIS A 1 38 ? 0.574 -0.091 1.547 1.00 0.00 ? 38 HIS A NE2 5 ATOM 6637 H H . HIS A 1 38 ? 0.457 0.225 -3.171 1.00 0.00 ? 38 HIS A H 5 ATOM 6638 H HA . HIS A 1 38 ? 0.665 2.783 -1.905 1.00 0.00 ? 38 HIS A HA 5 ATOM 6639 H HB2 . HIS A 1 38 ? 2.412 0.337 -1.997 1.00 0.00 ? 38 HIS A HB2 5 ATOM 6640 H HB3 . HIS A 1 38 ? 2.981 1.827 -1.250 1.00 0.00 ? 38 HIS A HB3 5 ATOM 6641 H HD1 . HIS A 1 38 ? 0.454 2.699 0.239 1.00 0.00 ? 38 HIS A HD1 5 ATOM 6642 H HD2 . HIS A 1 38 ? 1.866 -1.208 0.170 1.00 0.00 ? 38 HIS A HD2 5 ATOM 6643 H HE1 . HIS A 1 38 ? -0.503 1.602 2.289 1.00 0.00 ? 38 HIS A HE1 5 ATOM 6644 H HE2 . HIS A 1 38 ? 0.434 -0.736 2.271 1.00 0.00 ? 38 HIS A HE2 5 ATOM 6645 N N . ARG A 1 39 ? 2.534 2.122 -4.520 1.00 0.00 ? 39 ARG A N 5 ATOM 6646 C CA . ARG A 1 39 ? 3.386 2.721 -5.541 1.00 0.00 ? 39 ARG A CA 5 ATOM 6647 C C . ARG A 1 39 ? 2.714 3.943 -6.160 1.00 0.00 ? 39 ARG A C 5 ATOM 6648 O O . ARG A 1 39 ? 3.305 5.021 -6.230 1.00 0.00 ? 39 ARG A O 5 ATOM 6649 C CB . ARG A 1 39 ? 3.711 1.697 -6.630 1.00 0.00 ? 39 ARG A CB 5 ATOM 6650 C CG . ARG A 1 39 ? 4.457 0.477 -6.116 1.00 0.00 ? 39 ARG A CG 5 ATOM 6651 C CD . ARG A 1 39 ? 5.097 -0.305 -7.252 1.00 0.00 ? 39 ARG A CD 5 ATOM 6652 N NE . ARG A 1 39 ? 4.102 -0.825 -8.187 1.00 0.00 ? 39 ARG A NE 5 ATOM 6653 C CZ . ARG A 1 39 ? 4.357 -1.775 -9.079 1.00 0.00 ? 39 ARG A CZ 5 ATOM 6654 N NH1 . ARG A 1 39 ? 5.569 -2.308 -9.157 1.00 0.00 ? 39 ARG A NH1 5 ATOM 6655 N NH2 . ARG A 1 39 ? 3.399 -2.196 -9.895 1.00 0.00 ? 39 ARG A NH2 5 ATOM 6656 H H . ARG A 1 39 ? 2.259 1.186 -4.617 1.00 0.00 ? 39 ARG A H 5 ATOM 6657 H HA . ARG A 1 39 ? 4.304 3.032 -5.066 1.00 0.00 ? 39 ARG A HA 5 ATOM 6658 H HB2 . ARG A 1 39 ? 2.788 1.364 -7.081 1.00 0.00 ? 39 ARG A HB2 5 ATOM 6659 H HB3 . ARG A 1 39 ? 4.319 2.173 -7.384 1.00 0.00 ? 39 ARG A HB3 5 ATOM 6660 H HG2 . ARG A 1 39 ? 5.232 0.800 -5.436 1.00 0.00 ? 39 ARG A HG2 5 ATOM 6661 H HG3 . ARG A 1 39 ? 3.762 -0.165 -5.595 1.00 0.00 ? 39 ARG A HG3 5 ATOM 6662 H HD2 . ARG A 1 39 ? 5.771 0.348 -7.786 1.00 0.00 ? 39 ARG A HD2 5 ATOM 6663 H HD3 . ARG A 1 39 ? 5.652 -1.132 -6.835 1.00 0.00 ? 39 ARG A HD3 5 ATOM 6664 H HE . ARG A 1 39 ? 3.199 -0.446 -8.146 1.00 0.00 ? 39 ARG A HE 5 ATOM 6665 H HH11 . ARG A 1 39 ? 6.293 -1.993 -8.542 1.00 0.00 ? 39 ARG A HH11 5 ATOM 6666 H HH12 . ARG A 1 39 ? 5.759 -3.024 -9.828 1.00 0.00 ? 39 ARG A HH12 5 ATOM 6667 H HH21 . ARG A 1 39 ? 2.484 -1.797 -9.839 1.00 0.00 ? 39 ARG A HH21 5 ATOM 6668 H HH22 . ARG A 1 39 ? 3.592 -2.911 -10.566 1.00 0.00 ? 39 ARG A HH22 5 ATOM 6669 N N . LYS A 1 40 ? 1.476 3.767 -6.610 1.00 0.00 ? 40 LYS A N 5 ATOM 6670 C CA . LYS A 1 40 ? 0.723 4.854 -7.223 1.00 0.00 ? 40 LYS A CA 5 ATOM 6671 C C . LYS A 1 40 ? 0.645 6.057 -6.289 1.00 0.00 ? 40 LYS A C 5 ATOM 6672 O O . LYS A 1 40 ? 1.076 7.156 -6.639 1.00 0.00 ? 40 LYS A O 5 ATOM 6673 C CB . LYS A 1 40 ? -0.688 4.384 -7.585 1.00 0.00 ? 40 LYS A CB 5 ATOM 6674 C CG . LYS A 1 40 ? -0.751 3.584 -8.875 1.00 0.00 ? 40 LYS A CG 5 ATOM 6675 C CD . LYS A 1 40 ? -0.198 2.181 -8.688 1.00 0.00 ? 40 LYS A CD 5 ATOM 6676 C CE . LYS A 1 40 ? -0.403 1.332 -9.933 1.00 0.00 ? 40 LYS A CE 5 ATOM 6677 N NZ . LYS A 1 40 ? 0.580 0.216 -10.011 1.00 0.00 ? 40 LYS A NZ 5 ATOM 6678 H H . LYS A 1 40 ? 1.059 2.884 -6.526 1.00 0.00 ? 40 LYS A H 5 ATOM 6679 H HA . LYS A 1 40 ? 1.238 5.147 -8.125 1.00 0.00 ? 40 LYS A HA 5 ATOM 6680 H HB2 . LYS A 1 40 ? -1.065 3.765 -6.783 1.00 0.00 ? 40 LYS A HB2 5 ATOM 6681 H HB3 . LYS A 1 40 ? -1.327 5.249 -7.691 1.00 0.00 ? 40 LYS A HB3 5 ATOM 6682 H HG2 . LYS A 1 40 ? -1.779 3.515 -9.195 1.00 0.00 ? 40 LYS A HG2 5 ATOM 6683 H HG3 . LYS A 1 40 ? -0.169 4.093 -9.631 1.00 0.00 ? 40 LYS A HG3 5 ATOM 6684 H HD2 . LYS A 1 40 ? 0.859 2.244 -8.479 1.00 0.00 ? 40 LYS A HD2 5 ATOM 6685 H HD3 . LYS A 1 40 ? -0.704 1.712 -7.856 1.00 0.00 ? 40 LYS A HD3 5 ATOM 6686 H HE2 . LYS A 1 40 ? -1.400 0.921 -9.913 1.00 0.00 ? 40 LYS A HE2 5 ATOM 6687 H HE3 . LYS A 1 40 ? -0.290 1.961 -10.804 1.00 0.00 ? 40 LYS A HE3 5 ATOM 6688 H HZ1 . LYS A 1 40 ? 1.249 0.383 -10.790 1.00 0.00 ? 40 LYS A HZ1 5 ATOM 6689 H HZ2 . LYS A 1 40 ? 0.087 -0.684 -10.180 1.00 0.00 ? 40 LYS A HZ2 5 ATOM 6690 H HZ3 . LYS A 1 40 ? 1.112 0.145 -9.120 1.00 0.00 ? 40 LYS A HZ3 5 ATOM 6691 N N . ALA A 1 41 ? 0.094 5.842 -5.099 1.00 0.00 ? 41 ALA A N 5 ATOM 6692 C CA . ALA A 1 41 ? -0.036 6.908 -4.113 1.00 0.00 ? 41 ALA A CA 5 ATOM 6693 C C . ALA A 1 41 ? 1.271 7.679 -3.962 1.00 0.00 ? 41 ALA A C 5 ATOM 6694 O O . ALA A 1 41 ? 1.315 8.893 -4.167 1.00 0.00 ? 41 ALA A O 5 ATOM 6695 C CB . ALA A 1 41 ? -0.472 6.336 -2.772 1.00 0.00 ? 41 ALA A CB 5 ATOM 6696 H H . ALA A 1 41 ? -0.231 4.945 -4.878 1.00 0.00 ? 41 ALA A H 5 ATOM 6697 H HA . ALA A 1 41 ? -0.805 7.586 -4.455 1.00 0.00 ? 41 ALA A HA 5 ATOM 6698 H HB1 . ALA A 1 41 ? -1.551 6.329 -2.719 1.00 0.00 ? 41 ALA A HB1 5 ATOM 6699 H HB2 . ALA A 1 41 ? -0.100 5.328 -2.673 1.00 0.00 ? 41 ALA A HB2 5 ATOM 6700 H HB3 . ALA A 1 41 ? -0.076 6.947 -1.975 1.00 0.00 ? 41 ALA A HB3 5 ATOM 6701 N N . THR A 1 42 ? 2.334 6.967 -3.602 1.00 0.00 ? 42 THR A N 5 ATOM 6702 C CA . THR A 1 42 ? 3.642 7.585 -3.421 1.00 0.00 ? 42 THR A CA 5 ATOM 6703 C C . THR A 1 42 ? 4.018 8.438 -4.627 1.00 0.00 ? 42 THR A C 5 ATOM 6704 O O . THR A 1 42 ? 4.403 9.599 -4.485 1.00 0.00 ? 42 THR A O 5 ATOM 6705 C CB . THR A 1 42 ? 4.737 6.525 -3.194 1.00 0.00 ? 42 THR A CB 5 ATOM 6706 O OG1 . THR A 1 42 ? 4.645 5.504 -4.193 1.00 0.00 ? 42 THR A OG1 5 ATOM 6707 C CG2 . THR A 1 42 ? 4.610 5.904 -1.812 1.00 0.00 ? 42 THR A CG2 5 ATOM 6708 H H . THR A 1 42 ? 2.235 6.004 -3.453 1.00 0.00 ? 42 THR A H 5 ATOM 6709 H HA . THR A 1 42 ? 3.594 8.217 -2.546 1.00 0.00 ? 42 THR A HA 5 ATOM 6710 H HB . THR A 1 42 ? 5.702 7.006 -3.269 1.00 0.00 ? 42 THR A HB 5 ATOM 6711 H HG1 . THR A 1 42 ? 3.980 4.861 -3.933 1.00 0.00 ? 42 THR A HG1 5 ATOM 6712 H HG21 . THR A 1 42 ? 5.577 5.551 -1.485 1.00 0.00 ? 42 THR A HG21 5 ATOM 6713 H HG22 . THR A 1 42 ? 3.919 5.075 -1.852 1.00 0.00 ? 42 THR A HG22 5 ATOM 6714 H HG23 . THR A 1 42 ? 4.244 6.644 -1.117 1.00 0.00 ? 42 THR A HG23 5 ATOM 6715 N N . THR A 1 43 ? 3.904 7.855 -5.817 1.00 0.00 ? 43 THR A N 5 ATOM 6716 C CA . THR A 1 43 ? 4.233 8.562 -7.049 1.00 0.00 ? 43 THR A CA 5 ATOM 6717 C C . THR A 1 43 ? 3.544 9.921 -7.103 1.00 0.00 ? 43 THR A C 5 ATOM 6718 O O . THR A 1 43 ? 4.095 10.886 -7.635 1.00 0.00 ? 43 THR A O 5 ATOM 6719 C CB . THR A 1 43 ? 3.829 7.745 -8.290 1.00 0.00 ? 43 THR A CB 5 ATOM 6720 O OG1 . THR A 1 43 ? 4.528 6.495 -8.302 1.00 0.00 ? 43 THR A OG1 5 ATOM 6721 C CG2 . THR A 1 43 ? 4.133 8.514 -9.567 1.00 0.00 ? 43 THR A CG2 5 ATOM 6722 H H . THR A 1 43 ? 3.592 6.928 -5.866 1.00 0.00 ? 43 THR A H 5 ATOM 6723 H HA . THR A 1 43 ? 5.303 8.710 -7.073 1.00 0.00 ? 43 THR A HA 5 ATOM 6724 H HB . THR A 1 43 ? 2.766 7.554 -8.247 1.00 0.00 ? 43 THR A HB 5 ATOM 6725 H HG1 . THR A 1 43 ? 4.107 5.887 -7.690 1.00 0.00 ? 43 THR A HG1 5 ATOM 6726 H HG21 . THR A 1 43 ? 5.180 8.407 -9.811 1.00 0.00 ? 43 THR A HG21 5 ATOM 6727 H HG22 . THR A 1 43 ? 3.902 9.559 -9.421 1.00 0.00 ? 43 THR A HG22 5 ATOM 6728 H HG23 . THR A 1 43 ? 3.534 8.122 -10.374 1.00 0.00 ? 43 THR A HG23 5 ATOM 6729 N N . TYR A 1 44 ? 2.339 9.991 -6.549 1.00 0.00 ? 44 TYR A N 5 ATOM 6730 C CA . TYR A 1 44 ? 1.575 11.233 -6.537 1.00 0.00 ? 44 TYR A CA 5 ATOM 6731 C C . TYR A 1 44 ? 2.110 12.191 -5.478 1.00 0.00 ? 44 TYR A C 5 ATOM 6732 O O . TYR A 1 44 ? 2.351 13.368 -5.753 1.00 0.00 ? 44 TYR A O 5 ATOM 6733 C CB . TYR A 1 44 ? 0.095 10.943 -6.277 1.00 0.00 ? 44 TYR A CB 5 ATOM 6734 C CG . TYR A 1 44 ? -0.758 12.187 -6.184 1.00 0.00 ? 44 TYR A CG 5 ATOM 6735 C CD1 . TYR A 1 44 ? -0.590 13.238 -7.077 1.00 0.00 ? 44 TYR A CD1 5 ATOM 6736 C CD2 . TYR A 1 44 ? -1.733 12.313 -5.201 1.00 0.00 ? 44 TYR A CD2 5 ATOM 6737 C CE1 . TYR A 1 44 ? -1.367 14.377 -6.996 1.00 0.00 ? 44 TYR A CE1 5 ATOM 6738 C CE2 . TYR A 1 44 ? -2.515 13.448 -5.113 1.00 0.00 ? 44 TYR A CE2 5 ATOM 6739 C CZ . TYR A 1 44 ? -2.328 14.477 -6.012 1.00 0.00 ? 44 TYR A CZ 5 ATOM 6740 O OH . TYR A 1 44 ? -3.105 15.610 -5.926 1.00 0.00 ? 44 TYR A OH 5 ATOM 6741 H H . TYR A 1 44 ? 1.953 9.188 -6.141 1.00 0.00 ? 44 TYR A H 5 ATOM 6742 H HA . TYR A 1 44 ? 1.676 11.694 -7.508 1.00 0.00 ? 44 TYR A HA 5 ATOM 6743 H HB2 . TYR A 1 44 ? -0.292 10.335 -7.080 1.00 0.00 ? 44 TYR A HB2 5 ATOM 6744 H HB3 . TYR A 1 44 ? -0.001 10.403 -5.346 1.00 0.00 ? 44 TYR A HB3 5 ATOM 6745 H HD1 . TYR A 1 44 ? 0.164 13.156 -7.847 1.00 0.00 ? 44 TYR A HD1 5 ATOM 6746 H HD2 . TYR A 1 44 ? -1.876 11.505 -4.498 1.00 0.00 ? 44 TYR A HD2 5 ATOM 6747 H HE1 . TYR A 1 44 ? -1.221 15.183 -7.700 1.00 0.00 ? 44 TYR A HE1 5 ATOM 6748 H HE2 . TYR A 1 44 ? -3.268 13.527 -4.342 1.00 0.00 ? 44 TYR A HE2 5 ATOM 6749 H HH . TYR A 1 44 ? -2.694 16.234 -5.324 1.00 0.00 ? 44 TYR A HH 5 ATOM 6750 N N . LEU A 1 45 ? 2.295 11.680 -4.266 1.00 0.00 ? 45 LEU A N 5 ATOM 6751 C CA . LEU A 1 45 ? 2.804 12.489 -3.163 1.00 0.00 ? 45 LEU A CA 5 ATOM 6752 C C . LEU A 1 45 ? 4.126 13.151 -3.538 1.00 0.00 ? 45 LEU A C 5 ATOM 6753 O O . LEU A 1 45 ? 4.363 14.314 -3.212 1.00 0.00 ? 45 LEU A O 5 ATOM 6754 C CB . LEU A 1 45 ? 2.989 11.625 -1.914 1.00 0.00 ? 45 LEU A CB 5 ATOM 6755 C CG . LEU A 1 45 ? 1.714 11.274 -1.146 1.00 0.00 ? 45 LEU A CG 5 ATOM 6756 C CD1 . LEU A 1 45 ? 2.012 10.262 -0.052 1.00 0.00 ? 45 LEU A CD1 5 ATOM 6757 C CD2 . LEU A 1 45 ? 1.082 12.528 -0.559 1.00 0.00 ? 45 LEU A CD2 5 ATOM 6758 H H . LEU A 1 45 ? 2.086 10.736 -4.108 1.00 0.00 ? 45 LEU A H 5 ATOM 6759 H HA . LEU A 1 45 ? 2.076 13.259 -2.955 1.00 0.00 ? 45 LEU A HA 5 ATOM 6760 H HB2 . LEU A 1 45 ? 3.457 10.702 -2.217 1.00 0.00 ? 45 LEU A HB2 5 ATOM 6761 H HB3 . LEU A 1 45 ? 3.646 12.157 -1.240 1.00 0.00 ? 45 LEU A HB3 5 ATOM 6762 H HG . LEU A 1 45 ? 1.002 10.828 -1.828 1.00 0.00 ? 45 LEU A HG 5 ATOM 6763 H HD11 . LEU A 1 45 ? 2.107 9.278 -0.487 1.00 0.00 ? 45 LEU A HD11 5 ATOM 6764 H HD12 . LEU A 1 45 ? 1.206 10.261 0.667 1.00 0.00 ? 45 LEU A HD12 5 ATOM 6765 H HD13 . LEU A 1 45 ? 2.934 10.528 0.443 1.00 0.00 ? 45 LEU A HD13 5 ATOM 6766 H HD21 . LEU A 1 45 ? 0.015 12.502 -0.719 1.00 0.00 ? 45 LEU A HD21 5 ATOM 6767 H HD22 . LEU A 1 45 ? 1.498 13.400 -1.042 1.00 0.00 ? 45 LEU A HD22 5 ATOM 6768 H HD23 . LEU A 1 45 ? 1.286 12.571 0.501 1.00 0.00 ? 45 LEU A HD23 5 ATOM 6769 N N . SER A 1 46 ? 4.982 12.403 -4.226 1.00 0.00 ? 46 SER A N 5 ATOM 6770 C CA . SER A 1 46 ? 6.281 12.917 -4.644 1.00 0.00 ? 46 SER A CA 5 ATOM 6771 C C . SER A 1 46 ? 6.118 14.074 -5.625 1.00 0.00 ? 46 SER A C 5 ATOM 6772 O O . SER A 1 46 ? 6.809 15.087 -5.525 1.00 0.00 ? 46 SER A O 5 ATOM 6773 C CB . SER A 1 46 ? 7.111 11.803 -5.287 1.00 0.00 ? 46 SER A CB 5 ATOM 6774 O OG . SER A 1 46 ? 6.571 11.423 -6.540 1.00 0.00 ? 46 SER A OG 5 ATOM 6775 H H . SER A 1 46 ? 4.735 11.482 -4.456 1.00 0.00 ? 46 SER A H 5 ATOM 6776 H HA . SER A 1 46 ? 6.795 13.275 -3.765 1.00 0.00 ? 46 SER A HA 5 ATOM 6777 H HB2 . SER A 1 46 ? 8.122 12.151 -5.434 1.00 0.00 ? 46 SER A HB2 5 ATOM 6778 H HB3 . SER A 1 46 ? 7.118 10.942 -4.635 1.00 0.00 ? 46 SER A HB3 5 ATOM 6779 H HG . SER A 1 46 ? 6.744 10.492 -6.695 1.00 0.00 ? 46 SER A HG 5 ATOM 6780 N N . GLU A 1 47 ? 5.197 13.915 -6.570 1.00 0.00 ? 47 GLU A N 5 ATOM 6781 C CA . GLU A 1 47 ? 4.943 14.947 -7.569 1.00 0.00 ? 47 GLU A CA 5 ATOM 6782 C C . GLU A 1 47 ? 4.474 16.240 -6.909 1.00 0.00 ? 47 GLU A C 5 ATOM 6783 O O . GLU A 1 47 ? 4.840 17.335 -7.335 1.00 0.00 ? 47 GLU A O 5 ATOM 6784 C CB . GLU A 1 47 ? 3.896 14.466 -8.576 1.00 0.00 ? 47 GLU A CB 5 ATOM 6785 C CG . GLU A 1 47 ? 4.481 13.672 -9.731 1.00 0.00 ? 47 GLU A CG 5 ATOM 6786 C CD . GLU A 1 47 ? 5.601 14.410 -10.439 1.00 0.00 ? 47 GLU A CD 5 ATOM 6787 O OE1 . GLU A 1 47 ? 5.458 15.631 -10.662 1.00 0.00 ? 47 GLU A OE1 5 ATOM 6788 O OE2 . GLU A 1 47 ? 6.620 13.769 -10.769 1.00 0.00 ? 47 GLU A OE2 5 ATOM 6789 H H . GLU A 1 47 ? 4.678 13.085 -6.597 1.00 0.00 ? 47 GLU A H 5 ATOM 6790 H HA . GLU A 1 47 ? 5.869 15.138 -8.091 1.00 0.00 ? 47 GLU A HA 5 ATOM 6791 H HB2 . GLU A 1 47 ? 3.180 13.842 -8.062 1.00 0.00 ? 47 GLU A HB2 5 ATOM 6792 H HB3 . GLU A 1 47 ? 3.383 15.326 -8.981 1.00 0.00 ? 47 GLU A HB3 5 ATOM 6793 H HG2 . GLU A 1 47 ? 4.871 12.740 -9.350 1.00 0.00 ? 47 GLU A HG2 5 ATOM 6794 H HG3 . GLU A 1 47 ? 3.697 13.468 -10.445 1.00 0.00 ? 47 GLU A HG3 5 ATOM 6795 N N . ALA A 1 48 ? 3.662 16.104 -5.866 1.00 0.00 ? 48 ALA A N 5 ATOM 6796 C CA . ALA A 1 48 ? 3.144 17.260 -5.145 1.00 0.00 ? 48 ALA A CA 5 ATOM 6797 C C . ALA A 1 48 ? 4.277 18.097 -4.562 1.00 0.00 ? 48 ALA A C 5 ATOM 6798 O O . ALA A 1 48 ? 4.456 19.258 -4.928 1.00 0.00 ? 48 ALA A O 5 ATOM 6799 C CB . ALA A 1 48 ? 2.194 16.813 -4.044 1.00 0.00 ? 48 ALA A CB 5 ATOM 6800 H H . ALA A 1 48 ? 3.406 15.204 -5.573 1.00 0.00 ? 48 ALA A H 5 ATOM 6801 H HA . ALA A 1 48 ? 2.585 17.866 -5.844 1.00 0.00 ? 48 ALA A HA 5 ATOM 6802 H HB1 . ALA A 1 48 ? 1.928 17.663 -3.432 1.00 0.00 ? 48 ALA A HB1 5 ATOM 6803 H HB2 . ALA A 1 48 ? 1.302 16.394 -4.485 1.00 0.00 ? 48 ALA A HB2 5 ATOM 6804 H HB3 . ALA A 1 48 ? 2.678 16.067 -3.432 1.00 0.00 ? 48 ALA A HB3 5 ATOM 6805 N N . MET A 1 49 ? 5.040 17.499 -3.652 1.00 0.00 ? 49 MET A N 5 ATOM 6806 C CA . MET A 1 49 ? 6.157 18.190 -3.019 1.00 0.00 ? 49 MET A CA 5 ATOM 6807 C C . MET A 1 49 ? 7.124 18.734 -4.066 1.00 0.00 ? 49 MET A C 5 ATOM 6808 O O . MET A 1 49 ? 7.620 19.854 -3.946 1.00 0.00 ? 49 MET A O 5 ATOM 6809 C CB . MET A 1 49 ? 6.894 17.247 -2.067 1.00 0.00 ? 49 MET A CB 5 ATOM 6810 C CG . MET A 1 49 ? 7.281 15.922 -2.703 1.00 0.00 ? 49 MET A CG 5 ATOM 6811 S SD . MET A 1 49 ? 7.900 14.729 -1.501 1.00 0.00 ? 49 MET A SD 5 ATOM 6812 C CE . MET A 1 49 ? 6.583 14.755 -0.288 1.00 0.00 ? 49 MET A CE 5 ATOM 6813 H H . MET A 1 49 ? 4.848 16.571 -3.401 1.00 0.00 ? 49 MET A H 5 ATOM 6814 H HA . MET A 1 49 ? 5.756 19.018 -2.452 1.00 0.00 ? 49 MET A HA 5 ATOM 6815 H HB2 . MET A 1 49 ? 7.795 17.733 -1.723 1.00 0.00 ? 49 MET A HB2 5 ATOM 6816 H HB3 . MET A 1 49 ? 6.259 17.042 -1.218 1.00 0.00 ? 49 MET A HB3 5 ATOM 6817 H HG2 . MET A 1 49 ? 6.412 15.503 -3.188 1.00 0.00 ? 49 MET A HG2 5 ATOM 6818 H HG3 . MET A 1 49 ? 8.050 16.103 -3.439 1.00 0.00 ? 49 MET A HG3 5 ATOM 6819 H HE1 . MET A 1 49 ? 5.695 15.183 -0.730 1.00 0.00 ? 49 MET A HE1 5 ATOM 6820 H HE2 . MET A 1 49 ? 6.373 13.747 0.037 1.00 0.00 ? 49 MET A HE2 5 ATOM 6821 H HE3 . MET A 1 49 ? 6.887 15.352 0.560 1.00 0.00 ? 49 MET A HE3 5 ATOM 6822 N N . LYS A 1 50 ? 7.389 17.933 -5.092 1.00 0.00 ? 50 LYS A N 5 ATOM 6823 C CA . LYS A 1 50 ? 8.296 18.333 -6.161 1.00 0.00 ? 50 LYS A CA 5 ATOM 6824 C C . LYS A 1 50 ? 7.769 19.564 -6.890 1.00 0.00 ? 50 LYS A C 5 ATOM 6825 O O . LYS A 1 50 ? 8.462 20.150 -7.723 1.00 0.00 ? 50 LYS A O 5 ATOM 6826 C CB . LYS A 1 50 ? 8.487 17.183 -7.153 1.00 0.00 ? 50 LYS A CB 5 ATOM 6827 C CG . LYS A 1 50 ? 9.376 16.069 -6.628 1.00 0.00 ? 50 LYS A CG 5 ATOM 6828 C CD . LYS A 1 50 ? 9.238 14.806 -7.462 1.00 0.00 ? 50 LYS A CD 5 ATOM 6829 C CE . LYS A 1 50 ? 10.362 13.822 -7.175 1.00 0.00 ? 50 LYS A CE 5 ATOM 6830 N NZ . LYS A 1 50 ? 11.655 14.271 -7.761 1.00 0.00 ? 50 LYS A NZ 5 ATOM 6831 H H . LYS A 1 50 ? 6.962 17.050 -5.132 1.00 0.00 ? 50 LYS A H 5 ATOM 6832 H HA . LYS A 1 50 ? 9.249 18.574 -5.715 1.00 0.00 ? 50 LYS A HA 5 ATOM 6833 H HB2 . LYS A 1 50 ? 7.521 16.763 -7.389 1.00 0.00 ? 50 LYS A HB2 5 ATOM 6834 H HB3 . LYS A 1 50 ? 8.931 17.573 -8.057 1.00 0.00 ? 50 LYS A HB3 5 ATOM 6835 H HG2 . LYS A 1 50 ? 10.405 16.396 -6.659 1.00 0.00 ? 50 LYS A HG2 5 ATOM 6836 H HG3 . LYS A 1 50 ? 9.097 15.848 -5.608 1.00 0.00 ? 50 LYS A HG3 5 ATOM 6837 H HD2 . LYS A 1 50 ? 8.295 14.334 -7.231 1.00 0.00 ? 50 LYS A HD2 5 ATOM 6838 H HD3 . LYS A 1 50 ? 9.263 15.072 -8.509 1.00 0.00 ? 50 LYS A HD3 5 ATOM 6839 H HE2 . LYS A 1 50 ? 10.475 13.727 -6.106 1.00 0.00 ? 50 LYS A HE2 5 ATOM 6840 H HE3 . LYS A 1 50 ? 10.100 12.863 -7.595 1.00 0.00 ? 50 LYS A HE3 5 ATOM 6841 H HZ1 . LYS A 1 50 ? 11.563 14.376 -8.792 1.00 0.00 ? 50 LYS A HZ1 5 ATOM 6842 H HZ2 . LYS A 1 50 ? 12.400 13.574 -7.560 1.00 0.00 ? 50 LYS A HZ2 5 ATOM 6843 H HZ3 . LYS A 1 50 ? 11.934 15.187 -7.354 1.00 0.00 ? 50 LYS A HZ3 5 ATOM 6844 N N . LEU A 1 51 ? 6.539 19.953 -6.572 1.00 0.00 ? 51 LEU A N 5 ATOM 6845 C CA . LEU A 1 51 ? 5.919 21.117 -7.195 1.00 0.00 ? 51 LEU A CA 5 ATOM 6846 C C . LEU A 1 51 ? 5.782 22.262 -6.197 1.00 0.00 ? 51 LEU A C 5 ATOM 6847 O O . LEU A 1 51 ? 6.349 23.338 -6.387 1.00 0.00 ? 51 LEU A O 5 ATOM 6848 C CB . LEU A 1 51 ? 4.545 20.748 -7.757 1.00 0.00 ? 51 LEU A CB 5 ATOM 6849 C CG . LEU A 1 51 ? 4.076 21.554 -8.968 1.00 0.00 ? 51 LEU A CG 5 ATOM 6850 C CD1 . LEU A 1 51 ? 3.036 20.774 -9.759 1.00 0.00 ? 51 LEU A CD1 5 ATOM 6851 C CD2 . LEU A 1 51 ? 3.516 22.899 -8.530 1.00 0.00 ? 51 LEU A CD2 5 ATOM 6852 H H . LEU A 1 51 ? 6.035 19.446 -5.901 1.00 0.00 ? 51 LEU A H 5 ATOM 6853 H HA . LEU A 1 51 ? 6.556 21.437 -8.006 1.00 0.00 ? 51 LEU A HA 5 ATOM 6854 H HB2 . LEU A 1 51 ? 4.573 19.708 -8.043 1.00 0.00 ? 51 LEU A HB2 5 ATOM 6855 H HB3 . LEU A 1 51 ? 3.819 20.882 -6.967 1.00 0.00 ? 51 LEU A HB3 5 ATOM 6856 H HG . LEU A 1 51 ? 4.920 21.738 -9.619 1.00 0.00 ? 51 LEU A HG 5 ATOM 6857 H HD11 . LEU A 1 51 ? 3.513 20.282 -10.592 1.00 0.00 ? 51 LEU A HD11 5 ATOM 6858 H HD12 . LEU A 1 51 ? 2.280 21.453 -10.126 1.00 0.00 ? 51 LEU A HD12 5 ATOM 6859 H HD13 . LEU A 1 51 ? 2.577 20.036 -9.118 1.00 0.00 ? 51 LEU A HD13 5 ATOM 6860 H HD21 . LEU A 1 51 ? 4.310 23.632 -8.517 1.00 0.00 ? 51 LEU A HD21 5 ATOM 6861 H HD22 . LEU A 1 51 ? 3.095 22.808 -7.539 1.00 0.00 ? 51 LEU A HD22 5 ATOM 6862 H HD23 . LEU A 1 51 ? 2.748 23.212 -9.221 1.00 0.00 ? 51 LEU A HD23 5 ATOM 6863 N N . THR A 1 52 ? 5.026 22.022 -5.129 1.00 0.00 ? 52 THR A N 5 ATOM 6864 C CA . THR A 1 52 ? 4.815 23.032 -4.100 1.00 0.00 ? 52 THR A CA 5 ATOM 6865 C C . THR A 1 52 ? 6.112 23.763 -3.774 1.00 0.00 ? 52 THR A C 5 ATOM 6866 O O . THR A 1 52 ? 7.133 23.138 -3.488 1.00 0.00 ? 52 THR A O 5 ATOM 6867 C CB . THR A 1 52 ? 4.252 22.409 -2.809 1.00 0.00 ? 52 THR A CB 5 ATOM 6868 O OG1 . THR A 1 52 ? 3.622 23.418 -2.012 1.00 0.00 ? 52 THR A OG1 5 ATOM 6869 C CG2 . THR A 1 52 ? 5.356 21.737 -2.006 1.00 0.00 ? 52 THR A CG2 5 ATOM 6870 H H . THR A 1 52 ? 4.600 21.145 -5.034 1.00 0.00 ? 52 THR A H 5 ATOM 6871 H HA . THR A 1 52 ? 4.095 23.745 -4.475 1.00 0.00 ? 52 THR A HA 5 ATOM 6872 H HB . THR A 1 52 ? 3.518 21.663 -3.078 1.00 0.00 ? 52 THR A HB 5 ATOM 6873 H HG1 . THR A 1 52 ? 2.670 23.369 -2.127 1.00 0.00 ? 52 THR A HG1 5 ATOM 6874 H HG21 . THR A 1 52 ? 5.966 21.137 -2.665 1.00 0.00 ? 52 THR A HG21 5 ATOM 6875 H HG22 . THR A 1 52 ? 4.916 21.106 -1.247 1.00 0.00 ? 52 THR A HG22 5 ATOM 6876 H HG23 . THR A 1 52 ? 5.969 22.491 -1.536 1.00 0.00 ? 52 THR A HG23 5 ATOM 6877 N N . GLU A 1 53 ? 6.064 25.091 -3.818 1.00 0.00 ? 53 GLU A N 5 ATOM 6878 C CA . GLU A 1 53 ? 7.237 25.907 -3.527 1.00 0.00 ? 53 GLU A CA 5 ATOM 6879 C C . GLU A 1 53 ? 7.383 26.134 -2.025 1.00 0.00 ? 53 GLU A C 5 ATOM 6880 O O . GLU A 1 53 ? 8.484 26.364 -1.525 1.00 0.00 ? 53 GLU A O 5 ATOM 6881 C CB . GLU A 1 53 ? 7.143 27.253 -4.250 1.00 0.00 ? 53 GLU A CB 5 ATOM 6882 C CG . GLU A 1 53 ? 8.388 28.111 -4.104 1.00 0.00 ? 53 GLU A CG 5 ATOM 6883 C CD . GLU A 1 53 ? 9.522 27.651 -4.999 1.00 0.00 ? 53 GLU A CD 5 ATOM 6884 O OE1 . GLU A 1 53 ? 9.325 27.610 -6.232 1.00 0.00 ? 53 GLU A OE1 5 ATOM 6885 O OE2 . GLU A 1 53 ? 10.606 27.331 -4.468 1.00 0.00 ? 53 GLU A OE2 5 ATOM 6886 H H . GLU A 1 53 ? 5.221 25.532 -4.053 1.00 0.00 ? 53 GLU A H 5 ATOM 6887 H HA . GLU A 1 53 ? 8.107 25.378 -3.885 1.00 0.00 ? 53 GLU A HA 5 ATOM 6888 H HB2 . GLU A 1 53 ? 6.976 27.072 -5.302 1.00 0.00 ? 53 GLU A HB2 5 ATOM 6889 H HB3 . GLU A 1 53 ? 6.303 27.803 -3.851 1.00 0.00 ? 53 GLU A HB3 5 ATOM 6890 H HG2 . GLU A 1 53 ? 8.139 29.130 -4.360 1.00 0.00 ? 53 GLU A HG2 5 ATOM 6891 H HG3 . GLU A 1 53 ? 8.720 28.070 -3.077 1.00 0.00 ? 53 GLU A HG3 5 ATOM 6892 N N . SER A 1 54 ? 6.264 26.068 -1.311 1.00 0.00 ? 54 SER A N 5 ATOM 6893 C CA . SER A 1 54 ? 6.265 26.270 0.133 1.00 0.00 ? 54 SER A CA 5 ATOM 6894 C C . SER A 1 54 ? 6.981 25.124 0.841 1.00 0.00 ? 54 SER A C 5 ATOM 6895 O O . SER A 1 54 ? 7.025 24.001 0.339 1.00 0.00 ? 54 SER A O 5 ATOM 6896 C CB . SER A 1 54 ? 4.832 26.391 0.654 1.00 0.00 ? 54 SER A CB 5 ATOM 6897 O OG . SER A 1 54 ? 4.789 27.128 1.864 1.00 0.00 ? 54 SER A OG 5 ATOM 6898 H H . SER A 1 54 ? 5.417 25.881 -1.767 1.00 0.00 ? 54 SER A H 5 ATOM 6899 H HA . SER A 1 54 ? 6.793 27.190 0.339 1.00 0.00 ? 54 SER A HA 5 ATOM 6900 H HB2 . SER A 1 54 ? 4.225 26.896 -0.083 1.00 0.00 ? 54 SER A HB2 5 ATOM 6901 H HB3 . SER A 1 54 ? 4.433 25.403 0.833 1.00 0.00 ? 54 SER A HB3 5 ATOM 6902 H HG . SER A 1 54 ? 4.429 28.001 1.694 1.00 0.00 ? 54 SER A HG 5 ATOM 6903 N N . GLU A 1 55 ? 7.540 25.416 2.011 1.00 0.00 ? 55 GLU A N 5 ATOM 6904 C CA . GLU A 1 55 ? 8.255 24.410 2.789 1.00 0.00 ? 55 GLU A CA 5 ATOM 6905 C C . GLU A 1 55 ? 7.279 23.518 3.552 1.00 0.00 ? 55 GLU A C 5 ATOM 6906 O O . GLU A 1 55 ? 7.350 22.293 3.469 1.00 0.00 ? 55 GLU A O 5 ATOM 6907 C CB . GLU A 1 55 ? 9.221 25.081 3.767 1.00 0.00 ? 55 GLU A CB 5 ATOM 6908 C CG . GLU A 1 55 ? 10.224 24.122 4.386 1.00 0.00 ? 55 GLU A CG 5 ATOM 6909 C CD . GLU A 1 55 ? 11.200 24.818 5.315 1.00 0.00 ? 55 GLU A CD 5 ATOM 6910 O OE1 . GLU A 1 55 ? 11.344 26.053 5.207 1.00 0.00 ? 55 GLU A OE1 5 ATOM 6911 O OE2 . GLU A 1 55 ? 11.819 24.126 6.150 1.00 0.00 ? 55 GLU A OE2 5 ATOM 6912 H H . GLU A 1 55 ? 7.471 26.330 2.360 1.00 0.00 ? 55 GLU A H 5 ATOM 6913 H HA . GLU A 1 55 ? 8.819 23.799 2.101 1.00 0.00 ? 55 GLU A HA 5 ATOM 6914 H HB2 . GLU A 1 55 ? 9.767 25.852 3.243 1.00 0.00 ? 55 GLU A HB2 5 ATOM 6915 H HB3 . GLU A 1 55 ? 8.650 25.535 4.563 1.00 0.00 ? 55 GLU A HB3 5 ATOM 6916 H HG2 . GLU A 1 55 ? 9.686 23.374 4.949 1.00 0.00 ? 55 GLU A HG2 5 ATOM 6917 H HG3 . GLU A 1 55 ? 10.781 23.644 3.594 1.00 0.00 ? 55 GLU A HG3 5 ATOM 6918 N N . GLN A 1 56 ? 6.371 24.144 4.293 1.00 0.00 ? 56 GLN A N 5 ATOM 6919 C CA . GLN A 1 56 ? 5.383 23.407 5.072 1.00 0.00 ? 56 GLN A CA 5 ATOM 6920 C C . GLN A 1 56 ? 4.660 22.382 4.204 1.00 0.00 ? 56 GLN A C 5 ATOM 6921 O O . GLN A 1 56 ? 4.599 21.201 4.542 1.00 0.00 ? 56 GLN A O 5 ATOM 6922 C CB . GLN A 1 56 ? 4.371 24.371 5.694 1.00 0.00 ? 56 GLN A CB 5 ATOM 6923 C CG . GLN A 1 56 ? 4.812 24.935 7.035 1.00 0.00 ? 56 GLN A CG 5 ATOM 6924 C CD . GLN A 1 56 ? 4.574 23.971 8.180 1.00 0.00 ? 56 GLN A CD 5 ATOM 6925 O OE1 . GLN A 1 56 ? 3.545 23.296 8.235 1.00 0.00 ? 56 GLN A OE1 5 ATOM 6926 N NE2 . GLN A 1 56 ? 5.526 23.900 9.103 1.00 0.00 ? 56 GLN A NE2 5 ATOM 6927 H H . GLN A 1 56 ? 6.366 25.123 4.318 1.00 0.00 ? 56 GLN A H 5 ATOM 6928 H HA . GLN A 1 56 ? 5.903 22.888 5.862 1.00 0.00 ? 56 GLN A HA 5 ATOM 6929 H HB2 . GLN A 1 56 ? 4.213 25.196 5.015 1.00 0.00 ? 56 GLN A HB2 5 ATOM 6930 H HB3 . GLN A 1 56 ? 3.436 23.849 5.838 1.00 0.00 ? 56 GLN A HB3 5 ATOM 6931 H HG2 . GLN A 1 56 ? 5.868 25.158 6.987 1.00 0.00 ? 56 GLN A HG2 5 ATOM 6932 H HG3 . GLN A 1 56 ? 4.261 25.843 7.228 1.00 0.00 ? 56 GLN A HG3 5 ATOM 6933 H HE21 . GLN A 1 56 ? 6.318 24.468 8.995 1.00 0.00 ? 56 GLN A HE21 5 ATOM 6934 H HE22 . GLN A 1 56 ? 5.398 23.286 9.855 1.00 0.00 ? 56 GLN A HE22 5 ATOM 6935 N N . ALA A 1 57 ? 4.112 22.844 3.085 1.00 0.00 ? 57 ALA A N 5 ATOM 6936 C CA . ALA A 1 57 ? 3.394 21.967 2.168 1.00 0.00 ? 57 ALA A CA 5 ATOM 6937 C C . ALA A 1 57 ? 4.198 20.705 1.872 1.00 0.00 ? 57 ALA A C 5 ATOM 6938 O O . ALA A 1 57 ? 3.650 19.604 1.828 1.00 0.00 ? 57 ALA A O 5 ATOM 6939 C CB . ALA A 1 57 ? 3.072 22.704 0.876 1.00 0.00 ? 57 ALA A CB 5 ATOM 6940 H H . ALA A 1 57 ? 4.193 23.796 2.870 1.00 0.00 ? 57 ALA A H 5 ATOM 6941 H HA . ALA A 1 57 ? 2.461 21.686 2.635 1.00 0.00 ? 57 ALA A HA 5 ATOM 6942 H HB1 . ALA A 1 57 ? 3.659 22.289 0.070 1.00 0.00 ? 57 ALA A HB1 5 ATOM 6943 H HB2 . ALA A 1 57 ? 2.022 22.594 0.652 1.00 0.00 ? 57 ALA A HB2 5 ATOM 6944 H HB3 . ALA A 1 57 ? 3.308 23.751 0.991 1.00 0.00 ? 57 ALA A HB3 5 ATOM 6945 N N . HIS A 1 58 ? 5.501 20.873 1.670 1.00 0.00 ? 58 HIS A N 5 ATOM 6946 C CA . HIS A 1 58 ? 6.381 19.747 1.379 1.00 0.00 ? 58 HIS A CA 5 ATOM 6947 C C . HIS A 1 58 ? 6.430 18.777 2.555 1.00 0.00 ? 58 HIS A C 5 ATOM 6948 O O . HIS A 1 58 ? 6.514 17.562 2.369 1.00 0.00 ? 58 HIS A O 5 ATOM 6949 C CB . HIS A 1 58 ? 7.790 20.244 1.054 1.00 0.00 ? 58 HIS A CB 5 ATOM 6950 C CG . HIS A 1 58 ? 8.803 19.146 0.949 1.00 0.00 ? 58 HIS A CG 5 ATOM 6951 N ND1 . HIS A 1 58 ? 9.140 18.329 2.008 1.00 0.00 ? 58 HIS A ND1 5 ATOM 6952 C CD2 . HIS A 1 58 ? 9.553 18.730 -0.098 1.00 0.00 ? 58 HIS A CD2 5 ATOM 6953 C CE1 . HIS A 1 58 ? 10.055 17.460 1.616 1.00 0.00 ? 58 HIS A CE1 5 ATOM 6954 N NE2 . HIS A 1 58 ? 10.323 17.682 0.342 1.00 0.00 ? 58 HIS A NE2 5 ATOM 6955 H H . HIS A 1 58 ? 5.880 21.776 1.719 1.00 0.00 ? 58 HIS A H 5 ATOM 6956 H HA . HIS A 1 58 ? 5.984 19.230 0.518 1.00 0.00 ? 58 HIS A HA 5 ATOM 6957 H HB2 . HIS A 1 58 ? 7.771 20.768 0.110 1.00 0.00 ? 58 HIS A HB2 5 ATOM 6958 H HB3 . HIS A 1 58 ? 8.114 20.922 1.830 1.00 0.00 ? 58 HIS A HB3 5 ATOM 6959 H HD1 . HIS A 1 58 ? 8.765 18.380 2.911 1.00 0.00 ? 58 HIS A HD1 5 ATOM 6960 H HD2 . HIS A 1 58 ? 9.549 19.146 -1.096 1.00 0.00 ? 58 HIS A HD2 5 ATOM 6961 H HE1 . HIS A 1 58 ? 10.506 16.697 2.233 1.00 0.00 ? 58 HIS A HE1 5 ATOM 6962 H HE2 . HIS A 1 58 ? 11.026 17.235 -0.172 1.00 0.00 ? 58 HIS A HE2 5 ATOM 6963 N N . LEU A 1 59 ? 6.377 19.320 3.766 1.00 0.00 ? 59 LEU A N 5 ATOM 6964 C CA . LEU A 1 59 ? 6.416 18.503 4.974 1.00 0.00 ? 59 LEU A CA 5 ATOM 6965 C C . LEU A 1 59 ? 5.193 17.595 5.056 1.00 0.00 ? 59 LEU A C 5 ATOM 6966 O O . LEU A 1 59 ? 5.314 16.370 5.033 1.00 0.00 ? 59 LEU A O 5 ATOM 6967 C CB . LEU A 1 59 ? 6.487 19.394 6.215 1.00 0.00 ? 59 LEU A CB 5 ATOM 6968 C CG . LEU A 1 59 ? 7.458 20.573 6.139 1.00 0.00 ? 59 LEU A CG 5 ATOM 6969 C CD1 . LEU A 1 59 ? 7.574 21.257 7.493 1.00 0.00 ? 59 LEU A CD1 5 ATOM 6970 C CD2 . LEU A 1 59 ? 8.824 20.108 5.656 1.00 0.00 ? 59 LEU A CD2 5 ATOM 6971 H H . LEU A 1 59 ? 6.310 20.294 3.851 1.00 0.00 ? 59 LEU A H 5 ATOM 6972 H HA . LEU A 1 59 ? 7.303 17.889 4.930 1.00 0.00 ? 59 LEU A HA 5 ATOM 6973 H HB2 . LEU A 1 59 ? 5.500 19.791 6.394 1.00 0.00 ? 59 LEU A HB2 5 ATOM 6974 H HB3 . LEU A 1 59 ? 6.782 18.774 7.050 1.00 0.00 ? 59 LEU A HB3 5 ATOM 6975 H HG . LEU A 1 59 ? 7.081 21.298 5.431 1.00 0.00 ? 59 LEU A HG 5 ATOM 6976 H HD11 . LEU A 1 59 ? 6.589 21.392 7.913 1.00 0.00 ? 59 LEU A HD11 5 ATOM 6977 H HD12 . LEU A 1 59 ? 8.049 22.219 7.370 1.00 0.00 ? 59 LEU A HD12 5 ATOM 6978 H HD13 . LEU A 1 59 ? 8.168 20.645 8.156 1.00 0.00 ? 59 LEU A HD13 5 ATOM 6979 H HD21 . LEU A 1 59 ? 8.747 19.764 4.635 1.00 0.00 ? 59 LEU A HD21 5 ATOM 6980 H HD22 . LEU A 1 59 ? 9.172 19.299 6.283 1.00 0.00 ? 59 LEU A HD22 5 ATOM 6981 H HD23 . LEU A 1 59 ? 9.523 20.930 5.708 1.00 0.00 ? 59 LEU A HD23 5 ATOM 6982 N N . SER A 1 60 ? 4.015 18.203 5.150 1.00 0.00 ? 60 SER A N 5 ATOM 6983 C CA . SER A 1 60 ? 2.770 17.450 5.237 1.00 0.00 ? 60 SER A CA 5 ATOM 6984 C C . SER A 1 60 ? 2.798 16.245 4.302 1.00 0.00 ? 60 SER A C 5 ATOM 6985 O O . SER A 1 60 ? 2.136 15.236 4.550 1.00 0.00 ? 60 SER A O 5 ATOM 6986 C CB . SER A 1 60 ? 1.580 18.348 4.894 1.00 0.00 ? 60 SER A CB 5 ATOM 6987 O OG . SER A 1 60 ? 1.314 19.265 5.942 1.00 0.00 ? 60 SER A OG 5 ATOM 6988 H H . SER A 1 60 ? 3.984 19.183 5.164 1.00 0.00 ? 60 SER A H 5 ATOM 6989 H HA . SER A 1 60 ? 2.664 17.100 6.253 1.00 0.00 ? 60 SER A HA 5 ATOM 6990 H HB2 . SER A 1 60 ? 1.799 18.903 3.994 1.00 0.00 ? 60 SER A HB2 5 ATOM 6991 H HB3 . SER A 1 60 ? 0.704 17.736 4.736 1.00 0.00 ? 60 SER A HB3 5 ATOM 6992 H HG . SER A 1 60 ? 1.576 20.147 5.670 1.00 0.00 ? 60 SER A HG 5 ATOM 6993 N N . LEU A 1 61 ? 3.568 16.357 3.226 1.00 0.00 ? 61 LEU A N 5 ATOM 6994 C CA . LEU A 1 61 ? 3.684 15.277 2.252 1.00 0.00 ? 61 LEU A CA 5 ATOM 6995 C C . LEU A 1 61 ? 4.800 14.312 2.639 1.00 0.00 ? 61 LEU A C 5 ATOM 6996 O O . LEU A 1 61 ? 4.580 13.106 2.745 1.00 0.00 ? 61 LEU A O 5 ATOM 6997 C CB . LEU A 1 61 ? 3.948 15.848 0.857 1.00 0.00 ? 61 LEU A CB 5 ATOM 6998 C CG . LEU A 1 61 ? 2.990 16.943 0.388 1.00 0.00 ? 61 LEU A CG 5 ATOM 6999 C CD1 . LEU A 1 61 ? 3.572 17.686 -0.805 1.00 0.00 ? 61 LEU A CD1 5 ATOM 7000 C CD2 . LEU A 1 61 ? 1.632 16.351 0.039 1.00 0.00 ? 61 LEU A CD2 5 ATOM 7001 H H . LEU A 1 61 ? 4.072 17.185 3.082 1.00 0.00 ? 61 LEU A H 5 ATOM 7002 H HA . LEU A 1 61 ? 2.747 14.740 2.240 1.00 0.00 ? 61 LEU A HA 5 ATOM 7003 H HB2 . LEU A 1 61 ? 4.947 16.257 0.852 1.00 0.00 ? 61 LEU A HB2 5 ATOM 7004 H HB3 . LEU A 1 61 ? 3.892 15.032 0.151 1.00 0.00 ? 61 LEU A HB3 5 ATOM 7005 H HG . LEU A 1 61 ? 2.849 17.657 1.188 1.00 0.00 ? 61 LEU A HG 5 ATOM 7006 H HD11 . LEU A 1 61 ? 2.898 18.475 -1.101 1.00 0.00 ? 61 LEU A HD11 5 ATOM 7007 H HD12 . LEU A 1 61 ? 3.704 16.998 -1.628 1.00 0.00 ? 61 LEU A HD12 5 ATOM 7008 H HD13 . LEU A 1 61 ? 4.528 18.109 -0.534 1.00 0.00 ? 61 LEU A HD13 5 ATOM 7009 H HD21 . LEU A 1 61 ? 1.137 16.032 0.944 1.00 0.00 ? 61 LEU A HD21 5 ATOM 7010 H HD22 . LEU A 1 61 ? 1.767 15.502 -0.615 1.00 0.00 ? 61 LEU A HD22 5 ATOM 7011 H HD23 . LEU A 1 61 ? 1.031 17.097 -0.457 1.00 0.00 ? 61 LEU A HD23 5 ATOM 7012 N N . GLU A 1 62 ? 5.996 14.852 2.850 1.00 0.00 ? 62 GLU A N 5 ATOM 7013 C CA . GLU A 1 62 ? 7.145 14.038 3.226 1.00 0.00 ? 62 GLU A CA 5 ATOM 7014 C C . GLU A 1 62 ? 6.815 13.150 4.422 1.00 0.00 ? 62 GLU A C 5 ATOM 7015 O O . GLU A 1 62 ? 7.417 12.092 4.610 1.00 0.00 ? 62 GLU A O 5 ATOM 7016 C CB . GLU A 1 62 ? 8.344 14.930 3.555 1.00 0.00 ? 62 GLU A CB 5 ATOM 7017 C CG . GLU A 1 62 ? 8.388 15.380 5.006 1.00 0.00 ? 62 GLU A CG 5 ATOM 7018 C CD . GLU A 1 62 ? 9.548 16.314 5.292 1.00 0.00 ? 62 GLU A CD 5 ATOM 7019 O OE1 . GLU A 1 62 ? 9.539 17.449 4.773 1.00 0.00 ? 62 GLU A OE1 5 ATOM 7020 O OE2 . GLU A 1 62 ? 10.465 15.908 6.037 1.00 0.00 ? 62 GLU A OE2 5 ATOM 7021 H H . GLU A 1 62 ? 6.108 15.820 2.749 1.00 0.00 ? 62 GLU A H 5 ATOM 7022 H HA . GLU A 1 62 ? 7.397 13.409 2.385 1.00 0.00 ? 62 GLU A HA 5 ATOM 7023 H HB2 . GLU A 1 62 ? 9.252 14.386 3.341 1.00 0.00 ? 62 GLU A HB2 5 ATOM 7024 H HB3 . GLU A 1 62 ? 8.306 15.809 2.929 1.00 0.00 ? 62 GLU A HB3 5 ATOM 7025 H HG2 . GLU A 1 62 ? 7.467 15.894 5.238 1.00 0.00 ? 62 GLU A HG2 5 ATOM 7026 H HG3 . GLU A 1 62 ? 8.481 14.509 5.638 1.00 0.00 ? 62 GLU A HG3 5 ATOM 7027 N N . LEU A 1 63 ? 5.855 13.588 5.229 1.00 0.00 ? 63 LEU A N 5 ATOM 7028 C CA . LEU A 1 63 ? 5.443 12.834 6.409 1.00 0.00 ? 63 LEU A CA 5 ATOM 7029 C C . LEU A 1 63 ? 4.481 11.713 6.030 1.00 0.00 ? 63 LEU A C 5 ATOM 7030 O O . LEU A 1 63 ? 4.665 10.564 6.428 1.00 0.00 ? 63 LEU A O 5 ATOM 7031 C CB . LEU A 1 63 ? 4.784 13.765 7.428 1.00 0.00 ? 63 LEU A CB 5 ATOM 7032 C CG . LEU A 1 63 ? 5.732 14.642 8.247 1.00 0.00 ? 63 LEU A CG 5 ATOM 7033 C CD1 . LEU A 1 63 ? 4.953 15.710 9.000 1.00 0.00 ? 63 LEU A CD1 5 ATOM 7034 C CD2 . LEU A 1 63 ? 6.545 13.792 9.213 1.00 0.00 ? 63 LEU A CD2 5 ATOM 7035 H H . LEU A 1 63 ? 5.412 14.438 5.029 1.00 0.00 ? 63 LEU A H 5 ATOM 7036 H HA . LEU A 1 63 ? 6.328 12.400 6.849 1.00 0.00 ? 63 LEU A HA 5 ATOM 7037 H HB2 . LEU A 1 63 ? 4.109 14.416 6.894 1.00 0.00 ? 63 LEU A HB2 5 ATOM 7038 H HB3 . LEU A 1 63 ? 4.220 13.152 8.117 1.00 0.00 ? 63 LEU A HB3 5 ATOM 7039 H HG . LEU A 1 63 ? 6.419 15.140 7.578 1.00 0.00 ? 63 LEU A HG 5 ATOM 7040 H HD11 . LEU A 1 63 ? 4.172 15.244 9.581 1.00 0.00 ? 63 LEU A HD11 5 ATOM 7041 H HD12 . LEU A 1 63 ? 4.514 16.400 8.295 1.00 0.00 ? 63 LEU A HD12 5 ATOM 7042 H HD13 . LEU A 1 63 ? 5.622 16.246 9.658 1.00 0.00 ? 63 LEU A HD13 5 ATOM 7043 H HD21 . LEU A 1 63 ? 6.585 12.775 8.850 1.00 0.00 ? 63 LEU A HD21 5 ATOM 7044 H HD22 . LEU A 1 63 ? 6.079 13.809 10.187 1.00 0.00 ? 63 LEU A HD22 5 ATOM 7045 H HD23 . LEU A 1 63 ? 7.547 14.189 9.285 1.00 0.00 ? 63 LEU A HD23 5 ATOM 7046 N N . GLN A 1 64 ? 3.456 12.056 5.256 1.00 0.00 ? 64 GLN A N 5 ATOM 7047 C CA . GLN A 1 64 ? 2.466 11.078 4.822 1.00 0.00 ? 64 GLN A CA 5 ATOM 7048 C C . GLN A 1 64 ? 3.094 10.041 3.897 1.00 0.00 ? 64 GLN A C 5 ATOM 7049 O O . GLN A 1 64 ? 2.654 8.893 3.845 1.00 0.00 ? 64 GLN A O 5 ATOM 7050 C CB . GLN A 1 64 ? 1.305 11.776 4.111 1.00 0.00 ? 64 GLN A CB 5 ATOM 7051 C CG . GLN A 1 64 ? -0.022 11.048 4.254 1.00 0.00 ? 64 GLN A CG 5 ATOM 7052 C CD . GLN A 1 64 ? -0.299 10.614 5.680 1.00 0.00 ? 64 GLN A CD 5 ATOM 7053 O OE1 . GLN A 1 64 ? 0.111 9.532 6.103 1.00 0.00 ? 64 GLN A OE1 5 ATOM 7054 N NE2 . GLN A 1 64 ? -0.998 11.457 6.430 1.00 0.00 ? 64 GLN A NE2 5 ATOM 7055 H H . GLN A 1 64 ? 3.363 12.989 4.971 1.00 0.00 ? 64 GLN A H 5 ATOM 7056 H HA . GLN A 1 64 ? 2.089 10.576 5.701 1.00 0.00 ? 64 GLN A HA 5 ATOM 7057 H HB2 . GLN A 1 64 ? 1.193 12.769 4.521 1.00 0.00 ? 64 GLN A HB2 5 ATOM 7058 H HB3 . GLN A 1 64 ? 1.537 11.853 3.059 1.00 0.00 ? 64 GLN A HB3 5 ATOM 7059 H HG2 . GLN A 1 64 ? -0.815 11.707 3.934 1.00 0.00 ? 64 GLN A HG2 5 ATOM 7060 H HG3 . GLN A 1 64 ? -0.006 10.172 3.623 1.00 0.00 ? 64 GLN A HG3 5 ATOM 7061 H HE21 . GLN A 1 64 ? -1.293 12.301 6.026 1.00 0.00 ? 64 GLN A HE21 5 ATOM 7062 H HE22 . GLN A 1 64 ? -1.193 11.202 7.355 1.00 0.00 ? 64 GLN A HE22 5 ATOM 7063 N N . ARG A 1 65 ? 4.126 10.454 3.168 1.00 0.00 ? 65 ARG A N 5 ATOM 7064 C CA . ARG A 1 65 ? 4.814 9.561 2.243 1.00 0.00 ? 65 ARG A CA 5 ATOM 7065 C C . ARG A 1 65 ? 5.547 8.457 2.998 1.00 0.00 ? 65 ARG A C 5 ATOM 7066 O O . ARG A 1 65 ? 5.569 7.304 2.566 1.00 0.00 ? 65 ARG A O 5 ATOM 7067 C CB . ARG A 1 65 ? 5.803 10.348 1.381 1.00 0.00 ? 65 ARG A CB 5 ATOM 7068 C CG . ARG A 1 65 ? 6.102 9.692 0.043 1.00 0.00 ? 65 ARG A CG 5 ATOM 7069 C CD . ARG A 1 65 ? 7.235 10.400 -0.683 1.00 0.00 ? 65 ARG A CD 5 ATOM 7070 N NE . ARG A 1 65 ? 8.536 10.097 -0.094 1.00 0.00 ? 65 ARG A NE 5 ATOM 7071 C CZ . ARG A 1 65 ? 9.677 10.625 -0.522 1.00 0.00 ? 65 ARG A CZ 5 ATOM 7072 N NH1 . ARG A 1 65 ? 9.677 11.479 -1.536 1.00 0.00 ? 65 ARG A NH1 5 ATOM 7073 N NH2 . ARG A 1 65 ? 10.822 10.301 0.066 1.00 0.00 ? 65 ARG A NH2 5 ATOM 7074 H H . ARG A 1 65 ? 4.431 11.381 3.253 1.00 0.00 ? 65 ARG A H 5 ATOM 7075 H HA . ARG A 1 65 ? 4.071 9.111 1.602 1.00 0.00 ? 65 ARG A HA 5 ATOM 7076 H HB2 . ARG A 1 65 ? 5.396 11.331 1.193 1.00 0.00 ? 65 ARG A HB2 5 ATOM 7077 H HB3 . ARG A 1 65 ? 6.731 10.450 1.923 1.00 0.00 ? 65 ARG A HB3 5 ATOM 7078 H HG2 . ARG A 1 65 ? 6.384 8.664 0.212 1.00 0.00 ? 65 ARG A HG2 5 ATOM 7079 H HG3 . ARG A 1 65 ? 5.214 9.728 -0.570 1.00 0.00 ? 65 ARG A HG3 5 ATOM 7080 H HD2 . ARG A 1 65 ? 7.235 10.083 -1.716 1.00 0.00 ? 65 ARG A HD2 5 ATOM 7081 H HD3 . ARG A 1 65 ? 7.066 11.465 -0.634 1.00 0.00 ? 65 ARG A HD3 5 ATOM 7082 H HE . ARG A 1 65 ? 8.559 9.468 0.657 1.00 0.00 ? 65 ARG A HE 5 ATOM 7083 H HH11 . ARG A 1 65 ? 8.816 11.727 -1.980 1.00 0.00 ? 65 ARG A HH11 5 ATOM 7084 H HH12 . ARG A 1 65 ? 10.538 11.877 -1.855 1.00 0.00 ? 65 ARG A HH12 5 ATOM 7085 H HH21 . ARG A 1 65 ? 10.826 9.657 0.831 1.00 0.00 ? 65 ARG A HH21 5 ATOM 7086 H HH22 . ARG A 1 65 ? 11.680 10.699 -0.256 1.00 0.00 ? 65 ARG A HH22 5 ATOM 7087 N N . ASP A 1 66 ? 6.147 8.817 4.127 1.00 0.00 ? 66 ASP A N 5 ATOM 7088 C CA . ASP A 1 66 ? 6.882 7.857 4.943 1.00 0.00 ? 66 ASP A CA 5 ATOM 7089 C C . ASP A 1 66 ? 6.100 6.555 5.086 1.00 0.00 ? 66 ASP A C 5 ATOM 7090 O O . ASP A 1 66 ? 6.549 5.498 4.642 1.00 0.00 ? 66 ASP A O 5 ATOM 7091 C CB . ASP A 1 66 ? 7.172 8.445 6.325 1.00 0.00 ? 66 ASP A CB 5 ATOM 7092 C CG . ASP A 1 66 ? 7.844 7.450 7.249 1.00 0.00 ? 66 ASP A CG 5 ATOM 7093 O OD1 . ASP A 1 66 ? 7.138 6.578 7.798 1.00 0.00 ? 66 ASP A OD1 5 ATOM 7094 O OD2 . ASP A 1 66 ? 9.078 7.541 7.422 1.00 0.00 ? 66 ASP A OD2 5 ATOM 7095 H H . ASP A 1 66 ? 6.094 9.751 4.420 1.00 0.00 ? 66 ASP A H 5 ATOM 7096 H HA . ASP A 1 66 ? 7.817 7.647 4.447 1.00 0.00 ? 66 ASP A HA 5 ATOM 7097 H HB2 . ASP A 1 66 ? 7.821 9.302 6.215 1.00 0.00 ? 66 ASP A HB2 5 ATOM 7098 H HB3 . ASP A 1 66 ? 6.243 8.759 6.777 1.00 0.00 ? 66 ASP A HB3 5 ATOM 7099 N N . SER A 1 67 ? 4.928 6.639 5.708 1.00 0.00 ? 67 SER A N 5 ATOM 7100 C CA . SER A 1 67 ? 4.086 5.466 5.913 1.00 0.00 ? 67 SER A CA 5 ATOM 7101 C C . SER A 1 67 ? 3.781 4.777 4.586 1.00 0.00 ? 67 SER A C 5 ATOM 7102 O O . SER A 1 67 ? 4.064 3.591 4.410 1.00 0.00 ? 67 SER A O 5 ATOM 7103 C CB . SER A 1 67 ? 2.781 5.864 6.605 1.00 0.00 ? 67 SER A CB 5 ATOM 7104 O OG . SER A 1 67 ? 1.896 4.762 6.698 1.00 0.00 ? 67 SER A OG 5 ATOM 7105 H H . SER A 1 67 ? 4.624 7.510 6.038 1.00 0.00 ? 67 SER A H 5 ATOM 7106 H HA . SER A 1 67 ? 4.624 4.778 6.547 1.00 0.00 ? 67 SER A HA 5 ATOM 7107 H HB2 . SER A 1 67 ? 2.998 6.221 7.600 1.00 0.00 ? 67 SER A HB2 5 ATOM 7108 H HB3 . SER A 1 67 ? 2.301 6.649 6.038 1.00 0.00 ? 67 SER A HB3 5 ATOM 7109 H HG . SER A 1 67 ? 1.042 5.062 7.019 1.00 0.00 ? 67 SER A HG 5 ATOM 7110 N N . HIS A 1 68 ? 3.202 5.528 3.655 1.00 0.00 ? 68 HIS A N 5 ATOM 7111 C CA . HIS A 1 68 ? 2.859 4.991 2.344 1.00 0.00 ? 68 HIS A CA 5 ATOM 7112 C C . HIS A 1 68 ? 3.928 4.016 1.859 1.00 0.00 ? 68 HIS A C 5 ATOM 7113 O O . HIS A 1 68 ? 3.642 3.099 1.091 1.00 0.00 ? 68 HIS A O 5 ATOM 7114 C CB . HIS A 1 68 ? 2.691 6.126 1.332 1.00 0.00 ? 68 HIS A CB 5 ATOM 7115 C CG . HIS A 1 68 ? 1.295 6.664 1.262 1.00 0.00 ? 68 HIS A CG 5 ATOM 7116 N ND1 . HIS A 1 68 ? 0.222 5.917 0.824 1.00 0.00 ? 68 HIS A ND1 5 ATOM 7117 C CD2 . HIS A 1 68 ? 0.799 7.883 1.579 1.00 0.00 ? 68 HIS A CD2 5 ATOM 7118 C CE1 . HIS A 1 68 ? -0.874 6.653 0.873 1.00 0.00 ? 68 HIS A CE1 5 ATOM 7119 N NE2 . HIS A 1 68 ? -0.551 7.851 1.328 1.00 0.00 ? 68 HIS A NE2 5 ATOM 7120 H H . HIS A 1 68 ? 3.002 6.466 3.855 1.00 0.00 ? 68 HIS A H 5 ATOM 7121 H HA . HIS A 1 68 ? 1.923 4.462 2.436 1.00 0.00 ? 68 HIS A HA 5 ATOM 7122 H HB2 . HIS A 1 68 ? 3.347 6.940 1.603 1.00 0.00 ? 68 HIS A HB2 5 ATOM 7123 H HB3 . HIS A 1 68 ? 2.959 5.766 0.349 1.00 0.00 ? 68 HIS A HB3 5 ATOM 7124 H HD1 . HIS A 1 68 ? 0.258 4.986 0.521 1.00 0.00 ? 68 HIS A HD1 5 ATOM 7125 H HD2 . HIS A 1 68 ? 1.360 8.725 1.958 1.00 0.00 ? 68 HIS A HD2 5 ATOM 7126 H HE1 . HIS A 1 68 ? -1.865 6.332 0.590 1.00 0.00 ? 68 HIS A HE1 5 ATOM 7127 H HE2 . HIS A 1 68 ? -1.159 8.617 1.382 1.00 0.00 ? 68 HIS A HE2 5 ATOM 7128 N N . MET A 1 69 ? 5.160 4.223 2.313 1.00 0.00 ? 69 MET A N 5 ATOM 7129 C CA . MET A 1 69 ? 6.271 3.361 1.926 1.00 0.00 ? 69 MET A CA 5 ATOM 7130 C C . MET A 1 69 ? 6.525 2.293 2.985 1.00 0.00 ? 69 MET A C 5 ATOM 7131 O O . MET A 1 69 ? 6.779 1.132 2.663 1.00 0.00 ? 69 MET A O 5 ATOM 7132 C CB . MET A 1 69 ? 7.537 4.192 1.709 1.00 0.00 ? 69 MET A CB 5 ATOM 7133 C CG . MET A 1 69 ? 7.619 4.825 0.329 1.00 0.00 ? 69 MET A CG 5 ATOM 7134 S SD . MET A 1 69 ? 7.639 3.601 -0.995 1.00 0.00 ? 69 MET A SD 5 ATOM 7135 C CE . MET A 1 69 ? 8.996 2.557 -0.472 1.00 0.00 ? 69 MET A CE 5 ATOM 7136 H H . MET A 1 69 ? 5.326 4.971 2.924 1.00 0.00 ? 69 MET A H 5 ATOM 7137 H HA . MET A 1 69 ? 6.006 2.876 0.999 1.00 0.00 ? 69 MET A HA 5 ATOM 7138 H HB2 . MET A 1 69 ? 7.566 4.982 2.445 1.00 0.00 ? 69 MET A HB2 5 ATOM 7139 H HB3 . MET A 1 69 ? 8.399 3.556 1.841 1.00 0.00 ? 69 MET A HB3 5 ATOM 7140 H HG2 . MET A 1 69 ? 6.764 5.469 0.191 1.00 0.00 ? 69 MET A HG2 5 ATOM 7141 H HG3 . MET A 1 69 ? 8.523 5.413 0.272 1.00 0.00 ? 69 MET A HG3 5 ATOM 7142 H HE1 . MET A 1 69 ? 9.874 3.164 -0.303 1.00 0.00 ? 69 MET A HE1 5 ATOM 7143 H HE2 . MET A 1 69 ? 8.728 2.050 0.444 1.00 0.00 ? 69 MET A HE2 5 ATOM 7144 H HE3 . MET A 1 69 ? 9.206 1.827 -1.240 1.00 0.00 ? 69 MET A HE3 5 ATOM 7145 N N . LYS A 1 70 ? 6.456 2.693 4.250 1.00 0.00 ? 70 LYS A N 5 ATOM 7146 C CA . LYS A 1 70 ? 6.678 1.770 5.358 1.00 0.00 ? 70 LYS A CA 5 ATOM 7147 C C . LYS A 1 70 ? 5.805 0.528 5.215 1.00 0.00 ? 70 LYS A C 5 ATOM 7148 O O . LYS A 1 70 ? 6.238 -0.584 5.516 1.00 0.00 ? 70 LYS A O 5 ATOM 7149 C CB . LYS A 1 70 ? 6.385 2.462 6.691 1.00 0.00 ? 70 LYS A CB 5 ATOM 7150 C CG . LYS A 1 70 ? 4.947 2.309 7.153 1.00 0.00 ? 70 LYS A CG 5 ATOM 7151 C CD . LYS A 1 70 ? 4.736 2.913 8.531 1.00 0.00 ? 70 LYS A CD 5 ATOM 7152 C CE . LYS A 1 70 ? 5.412 2.085 9.612 1.00 0.00 ? 70 LYS A CE 5 ATOM 7153 N NZ . LYS A 1 70 ? 5.224 2.679 10.965 1.00 0.00 ? 70 LYS A NZ 5 ATOM 7154 H H . LYS A 1 70 ? 6.250 3.632 4.445 1.00 0.00 ? 70 LYS A H 5 ATOM 7155 H HA . LYS A 1 70 ? 7.715 1.471 5.337 1.00 0.00 ? 70 LYS A HA 5 ATOM 7156 H HB2 . LYS A 1 70 ? 7.031 2.044 7.449 1.00 0.00 ? 70 LYS A HB2 5 ATOM 7157 H HB3 . LYS A 1 70 ? 6.599 3.516 6.590 1.00 0.00 ? 70 LYS A HB3 5 ATOM 7158 H HG2 . LYS A 1 70 ? 4.297 2.808 6.449 1.00 0.00 ? 70 LYS A HG2 5 ATOM 7159 H HG3 . LYS A 1 70 ? 4.700 1.257 7.189 1.00 0.00 ? 70 LYS A HG3 5 ATOM 7160 H HD2 . LYS A 1 70 ? 5.150 3.910 8.544 1.00 0.00 ? 70 LYS A HD2 5 ATOM 7161 H HD3 . LYS A 1 70 ? 3.675 2.960 8.735 1.00 0.00 ? 70 LYS A HD3 5 ATOM 7162 H HE2 . LYS A 1 70 ? 4.991 1.092 9.603 1.00 0.00 ? 70 LYS A HE2 5 ATOM 7163 H HE3 . LYS A 1 70 ? 6.469 2.030 9.396 1.00 0.00 ? 70 LYS A HE3 5 ATOM 7164 H HZ1 . LYS A 1 70 ? 5.781 3.554 11.051 1.00 0.00 ? 70 LYS A HZ1 5 ATOM 7165 H HZ2 . LYS A 1 70 ? 5.538 2.010 11.696 1.00 0.00 ? 70 LYS A HZ2 5 ATOM 7166 H HZ3 . LYS A 1 70 ? 4.221 2.902 11.121 1.00 0.00 ? 70 LYS A HZ3 5 ATOM 7167 N N . GLN A 1 71 ? 4.574 0.726 4.752 1.00 0.00 ? 71 GLN A N 5 ATOM 7168 C CA . GLN A 1 71 ? 3.641 -0.379 4.568 1.00 0.00 ? 71 GLN A CA 5 ATOM 7169 C C . GLN A 1 71 ? 3.962 -1.157 3.296 1.00 0.00 ? 71 GLN A C 5 ATOM 7170 O O . GLN A 1 71 ? 3.672 -2.350 3.195 1.00 0.00 ? 71 GLN A O 5 ATOM 7171 C CB . GLN A 1 71 ? 2.204 0.142 4.513 1.00 0.00 ? 71 GLN A CB 5 ATOM 7172 C CG . GLN A 1 71 ? 1.618 0.457 5.880 1.00 0.00 ? 71 GLN A CG 5 ATOM 7173 C CD . GLN A 1 71 ? 1.489 -0.773 6.757 1.00 0.00 ? 71 GLN A CD 5 ATOM 7174 O OE1 . GLN A 1 71 ? 0.502 -1.505 6.677 1.00 0.00 ? 71 GLN A OE1 5 ATOM 7175 N NE2 . GLN A 1 71 ? 2.487 -1.007 7.600 1.00 0.00 ? 71 GLN A NE2 5 ATOM 7176 H H . GLN A 1 71 ? 4.288 1.635 4.529 1.00 0.00 ? 71 GLN A H 5 ATOM 7177 H HA . GLN A 1 71 ? 3.742 -1.042 5.415 1.00 0.00 ? 71 GLN A HA 5 ATOM 7178 H HB2 . GLN A 1 71 ? 2.184 1.044 3.920 1.00 0.00 ? 71 GLN A HB2 5 ATOM 7179 H HB3 . GLN A 1 71 ? 1.581 -0.603 4.042 1.00 0.00 ? 71 GLN A HB3 5 ATOM 7180 H HG2 . GLN A 1 71 ? 2.261 1.169 6.378 1.00 0.00 ? 71 GLN A HG2 5 ATOM 7181 H HG3 . GLN A 1 71 ? 0.639 0.891 5.746 1.00 0.00 ? 71 GLN A HG3 5 ATOM 7182 H HE21 . GLN A 1 71 ? 3.241 -0.379 7.610 1.00 0.00 ? 71 GLN A HE21 5 ATOM 7183 H HE22 . GLN A 1 71 ? 2.429 -1.794 8.179 1.00 0.00 ? 71 GLN A HE22 5 ATOM 7184 N N . LEU A 1 72 ? 4.560 -0.474 2.326 1.00 0.00 ? 72 LEU A N 5 ATOM 7185 C CA . LEU A 1 72 ? 4.920 -1.101 1.059 1.00 0.00 ? 72 LEU A CA 5 ATOM 7186 C C . LEU A 1 72 ? 6.024 -2.134 1.257 1.00 0.00 ? 72 LEU A C 5 ATOM 7187 O O . LEU A 1 72 ? 5.927 -3.263 0.774 1.00 0.00 ? 72 LEU A O 5 ATOM 7188 C CB . LEU A 1 72 ? 5.372 -0.040 0.053 1.00 0.00 ? 72 LEU A CB 5 ATOM 7189 C CG . LEU A 1 72 ? 5.955 -0.565 -1.259 1.00 0.00 ? 72 LEU A CG 5 ATOM 7190 C CD1 . LEU A 1 72 ? 4.988 -1.533 -1.924 1.00 0.00 ? 72 LEU A CD1 5 ATOM 7191 C CD2 . LEU A 1 72 ? 6.286 0.588 -2.195 1.00 0.00 ? 72 LEU A CD2 5 ATOM 7192 H H . LEU A 1 72 ? 4.765 0.474 2.465 1.00 0.00 ? 72 LEU A H 5 ATOM 7193 H HA . LEU A 1 72 ? 4.042 -1.599 0.675 1.00 0.00 ? 72 LEU A HA 5 ATOM 7194 H HB2 . LEU A 1 72 ? 4.517 0.573 -0.187 1.00 0.00 ? 72 LEU A HB2 5 ATOM 7195 H HB3 . LEU A 1 72 ? 6.126 0.568 0.532 1.00 0.00 ? 72 LEU A HB3 5 ATOM 7196 H HG . LEU A 1 72 ? 6.871 -1.101 -1.050 1.00 0.00 ? 72 LEU A HG 5 ATOM 7197 H HD11 . LEU A 1 72 ? 4.056 -1.027 -2.127 1.00 0.00 ? 72 LEU A HD11 5 ATOM 7198 H HD12 . LEU A 1 72 ? 4.807 -2.370 -1.266 1.00 0.00 ? 72 LEU A HD12 5 ATOM 7199 H HD13 . LEU A 1 72 ? 5.415 -1.889 -2.850 1.00 0.00 ? 72 LEU A HD13 5 ATOM 7200 H HD21 . LEU A 1 72 ? 5.948 1.515 -1.756 1.00 0.00 ? 72 LEU A HD21 5 ATOM 7201 H HD22 . LEU A 1 72 ? 5.789 0.437 -3.142 1.00 0.00 ? 72 LEU A HD22 5 ATOM 7202 H HD23 . LEU A 1 72 ? 7.354 0.631 -2.350 1.00 0.00 ? 72 LEU A HD23 5 ATOM 7203 N N . LEU A 1 73 ? 7.074 -1.741 1.970 1.00 0.00 ? 73 LEU A N 5 ATOM 7204 C CA . LEU A 1 73 ? 8.197 -2.634 2.235 1.00 0.00 ? 73 LEU A CA 5 ATOM 7205 C C . LEU A 1 73 ? 7.748 -3.849 3.040 1.00 0.00 ? 73 LEU A C 5 ATOM 7206 O O . LEU A 1 73 ? 8.267 -4.952 2.860 1.00 0.00 ? 73 LEU A O 5 ATOM 7207 C CB . LEU A 1 73 ? 9.300 -1.888 2.987 1.00 0.00 ? 73 LEU A CB 5 ATOM 7208 C CG . LEU A 1 73 ? 9.617 -0.478 2.488 1.00 0.00 ? 73 LEU A CG 5 ATOM 7209 C CD1 . LEU A 1 73 ? 10.781 0.115 3.269 1.00 0.00 ? 73 LEU A CD1 5 ATOM 7210 C CD2 . LEU A 1 73 ? 9.926 -0.496 0.998 1.00 0.00 ? 73 LEU A CD2 5 ATOM 7211 H H . LEU A 1 73 ? 7.095 -0.830 2.329 1.00 0.00 ? 73 LEU A H 5 ATOM 7212 H HA . LEU A 1 73 ? 8.584 -2.970 1.284 1.00 0.00 ? 73 LEU A HA 5 ATOM 7213 H HB2 . LEU A 1 73 ? 9.003 -1.814 4.021 1.00 0.00 ? 73 LEU A HB2 5 ATOM 7214 H HB3 . LEU A 1 73 ? 10.204 -2.477 2.915 1.00 0.00 ? 73 LEU A HB3 5 ATOM 7215 H HG . LEU A 1 73 ? 8.755 0.155 2.645 1.00 0.00 ? 73 LEU A HG 5 ATOM 7216 H HD11 . LEU A 1 73 ? 10.861 1.169 3.049 1.00 0.00 ? 73 LEU A HD11 5 ATOM 7217 H HD12 . LEU A 1 73 ? 11.696 -0.383 2.984 1.00 0.00 ? 73 LEU A HD12 5 ATOM 7218 H HD13 . LEU A 1 73 ? 10.611 -0.021 4.327 1.00 0.00 ? 73 LEU A HD13 5 ATOM 7219 H HD21 . LEU A 1 73 ? 10.035 0.518 0.642 1.00 0.00 ? 73 LEU A HD21 5 ATOM 7220 H HD22 . LEU A 1 73 ? 9.117 -0.978 0.469 1.00 0.00 ? 73 LEU A HD22 5 ATOM 7221 H HD23 . LEU A 1 73 ? 10.843 -1.039 0.827 1.00 0.00 ? 73 LEU A HD23 5 ATOM 7222 N N . LEU A 1 74 ? 6.781 -3.641 3.926 1.00 0.00 ? 74 LEU A N 5 ATOM 7223 C CA . LEU A 1 74 ? 6.260 -4.720 4.758 1.00 0.00 ? 74 LEU A CA 5 ATOM 7224 C C . LEU A 1 74 ? 5.427 -5.693 3.930 1.00 0.00 ? 74 LEU A C 5 ATOM 7225 O O . LEU A 1 74 ? 5.730 -6.884 3.862 1.00 0.00 ? 74 LEU A O 5 ATOM 7226 C CB . LEU A 1 74 ? 5.415 -4.150 5.898 1.00 0.00 ? 74 LEU A CB 5 ATOM 7227 C CG . LEU A 1 74 ? 6.186 -3.662 7.126 1.00 0.00 ? 74 LEU A CG 5 ATOM 7228 C CD1 . LEU A 1 74 ? 5.314 -2.752 7.977 1.00 0.00 ? 74 LEU A CD1 5 ATOM 7229 C CD2 . LEU A 1 74 ? 6.687 -4.843 7.945 1.00 0.00 ? 74 LEU A CD2 5 ATOM 7230 H H . LEU A 1 74 ? 6.407 -2.741 4.024 1.00 0.00 ? 74 LEU A H 5 ATOM 7231 H HA . LEU A 1 74 ? 7.102 -5.252 5.176 1.00 0.00 ? 74 LEU A HA 5 ATOM 7232 H HB2 . LEU A 1 74 ? 4.854 -3.315 5.508 1.00 0.00 ? 74 LEU A HB2 5 ATOM 7233 H HB3 . LEU A 1 74 ? 4.732 -4.922 6.221 1.00 0.00 ? 74 LEU A HB3 5 ATOM 7234 H HG . LEU A 1 74 ? 7.045 -3.092 6.800 1.00 0.00 ? 74 LEU A HG 5 ATOM 7235 H HD11 . LEU A 1 74 ? 5.808 -2.556 8.916 1.00 0.00 ? 74 LEU A HD11 5 ATOM 7236 H HD12 . LEU A 1 74 ? 4.365 -3.233 8.162 1.00 0.00 ? 74 LEU A HD12 5 ATOM 7237 H HD13 . LEU A 1 74 ? 5.149 -1.821 7.455 1.00 0.00 ? 74 LEU A HD13 5 ATOM 7238 H HD21 . LEU A 1 74 ? 7.182 -5.548 7.294 1.00 0.00 ? 74 LEU A HD21 5 ATOM 7239 H HD22 . LEU A 1 74 ? 5.850 -5.326 8.428 1.00 0.00 ? 74 LEU A HD22 5 ATOM 7240 H HD23 . LEU A 1 74 ? 7.382 -4.493 8.693 1.00 0.00 ? 74 LEU A HD23 5 ATOM 7241 N N . ILE A 1 75 ? 4.376 -5.176 3.300 1.00 0.00 ? 75 ILE A N 5 ATOM 7242 C CA . ILE A 1 75 ? 3.501 -5.998 2.474 1.00 0.00 ? 75 ILE A CA 5 ATOM 7243 C C . ILE A 1 75 ? 4.305 -6.823 1.474 1.00 0.00 ? 75 ILE A C 5 ATOM 7244 O O . ILE A 1 75 ? 3.977 -7.978 1.203 1.00 0.00 ? 75 ILE A O 5 ATOM 7245 C CB . ILE A 1 75 ? 2.479 -5.138 1.709 1.00 0.00 ? 75 ILE A CB 5 ATOM 7246 C CG1 . ILE A 1 75 ? 1.559 -4.407 2.689 1.00 0.00 ? 75 ILE A CG1 5 ATOM 7247 C CG2 . ILE A 1 75 ? 1.666 -6.003 0.757 1.00 0.00 ? 75 ILE A CG2 5 ATOM 7248 C CD1 . ILE A 1 75 ? 0.904 -3.177 2.100 1.00 0.00 ? 75 ILE A CD1 5 ATOM 7249 H H . ILE A 1 75 ? 4.186 -4.220 3.393 1.00 0.00 ? 75 ILE A H 5 ATOM 7250 H HA . ILE A 1 75 ? 2.961 -6.669 3.126 1.00 0.00 ? 75 ILE A HA 5 ATOM 7251 H HB . ILE A 1 75 ? 3.020 -4.411 1.123 1.00 0.00 ? 75 ILE A HB 5 ATOM 7252 H HG12 . ILE A 1 75 ? 0.778 -5.077 3.009 1.00 0.00 ? 75 ILE A HG12 5 ATOM 7253 H HG13 . ILE A 1 75 ? 2.136 -4.097 3.548 1.00 0.00 ? 75 ILE A HG13 5 ATOM 7254 H HG21 . ILE A 1 75 ? 0.613 -5.828 0.922 1.00 0.00 ? 75 ILE A HG21 5 ATOM 7255 H HG22 . ILE A 1 75 ? 1.917 -5.750 -0.262 1.00 0.00 ? 75 ILE A HG22 5 ATOM 7256 H HG23 . ILE A 1 75 ? 1.890 -7.044 0.936 1.00 0.00 ? 75 ILE A HG23 5 ATOM 7257 H HD11 . ILE A 1 75 ? 0.268 -3.467 1.277 1.00 0.00 ? 75 ILE A HD11 5 ATOM 7258 H HD12 . ILE A 1 75 ? 0.313 -2.686 2.858 1.00 0.00 ? 75 ILE A HD12 5 ATOM 7259 H HD13 . ILE A 1 75 ? 1.666 -2.499 1.743 1.00 0.00 ? 75 ILE A HD13 5 ATOM 7260 N N . GLN A 1 76 ? 5.359 -6.222 0.931 1.00 0.00 ? 76 GLN A N 5 ATOM 7261 C CA . GLN A 1 76 ? 6.210 -6.902 -0.038 1.00 0.00 ? 76 GLN A CA 5 ATOM 7262 C C . GLN A 1 76 ? 6.816 -8.166 0.562 1.00 0.00 ? 76 GLN A C 5 ATOM 7263 O O . GLN A 1 76 ? 6.710 -9.249 -0.012 1.00 0.00 ? 76 GLN A O 5 ATOM 7264 C CB . GLN A 1 76 ? 7.321 -5.966 -0.518 1.00 0.00 ? 76 GLN A CB 5 ATOM 7265 C CG . GLN A 1 76 ? 6.885 -5.020 -1.625 1.00 0.00 ? 76 GLN A CG 5 ATOM 7266 C CD . GLN A 1 76 ? 8.050 -4.510 -2.449 1.00 0.00 ? 76 GLN A CD 5 ATOM 7267 O OE1 . GLN A 1 76 ? 8.872 -5.289 -2.933 1.00 0.00 ? 76 GLN A OE1 5 ATOM 7268 N NE2 . GLN A 1 76 ? 8.128 -3.195 -2.615 1.00 0.00 ? 76 GLN A NE2 5 ATOM 7269 H H . GLN A 1 76 ? 5.568 -5.300 1.188 1.00 0.00 ? 76 GLN A H 5 ATOM 7270 H HA . GLN A 1 76 ? 5.596 -7.178 -0.882 1.00 0.00 ? 76 GLN A HA 5 ATOM 7271 H HB2 . GLN A 1 76 ? 7.663 -5.374 0.318 1.00 0.00 ? 76 GLN A HB2 5 ATOM 7272 H HB3 . GLN A 1 76 ? 8.143 -6.562 -0.886 1.00 0.00 ? 76 GLN A HB3 5 ATOM 7273 H HG2 . GLN A 1 76 ? 6.203 -5.543 -2.279 1.00 0.00 ? 76 GLN A HG2 5 ATOM 7274 H HG3 . GLN A 1 76 ? 6.379 -4.176 -1.180 1.00 0.00 ? 76 GLN A HG3 5 ATOM 7275 H HE21 . GLN A 1 76 ? 7.438 -2.635 -2.199 1.00 0.00 ? 76 GLN A HE21 5 ATOM 7276 H HE22 . GLN A 1 76 ? 8.871 -2.838 -3.142 1.00 0.00 ? 76 GLN A HE22 5 ATOM 7277 N N . GLU A 1 77 ? 7.453 -8.018 1.720 1.00 0.00 ? 77 GLU A N 5 ATOM 7278 C CA . GLU A 1 77 ? 8.078 -9.149 2.396 1.00 0.00 ? 77 GLU A CA 5 ATOM 7279 C C . GLU A 1 77 ? 7.024 -10.119 2.922 1.00 0.00 ? 77 GLU A C 5 ATOM 7280 O O . GLU A 1 77 ? 7.247 -11.328 2.970 1.00 0.00 ? 77 GLU A O 5 ATOM 7281 C CB . GLU A 1 77 ? 8.956 -8.659 3.550 1.00 0.00 ? 77 GLU A CB 5 ATOM 7282 C CG . GLU A 1 77 ? 8.220 -7.777 4.544 1.00 0.00 ? 77 GLU A CG 5 ATOM 7283 C CD . GLU A 1 77 ? 8.969 -7.622 5.853 1.00 0.00 ? 77 GLU A CD 5 ATOM 7284 O OE1 . GLU A 1 77 ? 9.491 -8.636 6.361 1.00 0.00 ? 77 GLU A OE1 5 ATOM 7285 O OE2 . GLU A 1 77 ? 9.034 -6.486 6.369 1.00 0.00 ? 77 GLU A OE2 5 ATOM 7286 H H . GLU A 1 77 ? 7.505 -7.129 2.128 1.00 0.00 ? 77 GLU A H 5 ATOM 7287 H HA . GLU A 1 77 ? 8.698 -9.664 1.678 1.00 0.00 ? 77 GLU A HA 5 ATOM 7288 H HB2 . GLU A 1 77 ? 9.345 -9.517 4.079 1.00 0.00 ? 77 GLU A HB2 5 ATOM 7289 H HB3 . GLU A 1 77 ? 9.782 -8.095 3.143 1.00 0.00 ? 77 GLU A HB3 5 ATOM 7290 H HG2 . GLU A 1 77 ? 8.084 -6.799 4.106 1.00 0.00 ? 77 GLU A HG2 5 ATOM 7291 H HG3 . GLU A 1 77 ? 7.254 -8.216 4.749 1.00 0.00 ? 77 GLU A HG3 5 ATOM 7292 N N . ARG A 1 78 ? 5.875 -9.578 3.315 1.00 0.00 ? 78 ARG A N 5 ATOM 7293 C CA . ARG A 1 78 ? 4.786 -10.395 3.838 1.00 0.00 ? 78 ARG A CA 5 ATOM 7294 C C . ARG A 1 78 ? 4.194 -11.278 2.744 1.00 0.00 ? 78 ARG A C 5 ATOM 7295 O O . ARG A 1 78 ? 3.503 -12.256 3.029 1.00 0.00 ? 78 ARG A O 5 ATOM 7296 C CB . ARG A 1 78 ? 3.695 -9.505 4.437 1.00 0.00 ? 78 ARG A CB 5 ATOM 7297 C CG . ARG A 1 78 ? 4.032 -8.976 5.821 1.00 0.00 ? 78 ARG A CG 5 ATOM 7298 C CD . ARG A 1 78 ? 4.074 -10.094 6.850 1.00 0.00 ? 78 ARG A CD 5 ATOM 7299 N NE . ARG A 1 78 ? 3.741 -9.618 8.190 1.00 0.00 ? 78 ARG A NE 5 ATOM 7300 C CZ . ARG A 1 78 ? 2.496 -9.469 8.629 1.00 0.00 ? 78 ARG A CZ 5 ATOM 7301 N NH1 . ARG A 1 78 ? 1.472 -9.759 7.838 1.00 0.00 ? 78 ARG A NH1 5 ATOM 7302 N NH2 . ARG A 1 78 ? 2.273 -9.031 9.861 1.00 0.00 ? 78 ARG A NH2 5 ATOM 7303 H H . ARG A 1 78 ? 5.756 -8.608 3.252 1.00 0.00 ? 78 ARG A H 5 ATOM 7304 H HA . ARG A 1 78 ? 5.189 -11.027 4.616 1.00 0.00 ? 78 ARG A HA 5 ATOM 7305 H HB2 . ARG A 1 78 ? 3.535 -8.661 3.782 1.00 0.00 ? 78 ARG A HB2 5 ATOM 7306 H HB3 . ARG A 1 78 ? 2.781 -10.075 4.506 1.00 0.00 ? 78 ARG A HB3 5 ATOM 7307 H HG2 . ARG A 1 78 ? 4.999 -8.496 5.787 1.00 0.00 ? 78 ARG A HG2 5 ATOM 7308 H HG3 . ARG A 1 78 ? 3.281 -8.257 6.113 1.00 0.00 ? 78 ARG A HG3 5 ATOM 7309 H HD2 . ARG A 1 78 ? 3.365 -10.856 6.563 1.00 0.00 ? 78 ARG A HD2 5 ATOM 7310 H HD3 . ARG A 1 78 ? 5.068 -10.514 6.864 1.00 0.00 ? 78 ARG A HD3 5 ATOM 7311 H HE . ARG A 1 78 ? 4.482 -9.398 8.791 1.00 0.00 ? 78 ARG A HE 5 ATOM 7312 H HH11 . ARG A 1 78 ? 1.636 -10.090 6.909 1.00 0.00 ? 78 ARG A HH11 5 ATOM 7313 H HH12 . ARG A 1 78 ? 0.535 -9.647 8.171 1.00 0.00 ? 78 ARG A HH12 5 ATOM 7314 H HH21 . ARG A 1 78 ? 3.042 -8.812 10.460 1.00 0.00 ? 78 ARG A HH21 5 ATOM 7315 H HH22 . ARG A 1 78 ? 1.336 -8.919 10.190 1.00 0.00 ? 78 ARG A HH22 5 ATOM 7316 N N . TRP A 1 79 ? 4.470 -10.926 1.494 1.00 0.00 ? 79 TRP A N 5 ATOM 7317 C CA . TRP A 1 79 ? 3.964 -11.687 0.357 1.00 0.00 ? 79 TRP A CA 5 ATOM 7318 C C . TRP A 1 79 ? 4.933 -12.799 -0.029 1.00 0.00 ? 79 TRP A C 5 ATOM 7319 O O . TRP A 1 79 ? 4.615 -13.982 0.093 1.00 0.00 ? 79 TRP A O 5 ATOM 7320 C CB . TRP A 1 79 ? 3.729 -10.761 -0.838 1.00 0.00 ? 79 TRP A CB 5 ATOM 7321 C CG . TRP A 1 79 ? 3.003 -11.424 -1.970 1.00 0.00 ? 79 TRP A CG 5 ATOM 7322 C CD1 . TRP A 1 79 ? 2.114 -12.457 -1.880 1.00 0.00 ? 79 TRP A CD1 5 ATOM 7323 C CD2 . TRP A 1 79 ? 3.106 -11.102 -3.361 1.00 0.00 ? 79 TRP A CD2 5 ATOM 7324 N NE1 . TRP A 1 79 ? 1.658 -12.795 -3.131 1.00 0.00 ? 79 TRP A NE1 5 ATOM 7325 C CE2 . TRP A 1 79 ? 2.251 -11.978 -4.056 1.00 0.00 ? 79 TRP A CE2 5 ATOM 7326 C CE3 . TRP A 1 79 ? 3.837 -10.156 -4.086 1.00 0.00 ? 79 TRP A CE3 5 ATOM 7327 C CZ2 . TRP A 1 79 ? 2.109 -11.936 -5.441 1.00 0.00 ? 79 TRP A CZ2 5 ATOM 7328 C CZ3 . TRP A 1 79 ? 3.695 -10.116 -5.460 1.00 0.00 ? 79 TRP A CZ3 5 ATOM 7329 C CH2 . TRP A 1 79 ? 2.836 -11.001 -6.126 1.00 0.00 ? 79 TRP A CH2 5 ATOM 7330 H H . TRP A 1 79 ? 5.027 -10.136 1.331 1.00 0.00 ? 79 TRP A H 5 ATOM 7331 H HA . TRP A 1 79 ? 3.023 -12.130 0.648 1.00 0.00 ? 79 TRP A HA 5 ATOM 7332 H HB2 . TRP A 1 79 ? 3.144 -9.912 -0.519 1.00 0.00 ? 79 TRP A HB2 5 ATOM 7333 H HB3 . TRP A 1 79 ? 4.683 -10.417 -1.210 1.00 0.00 ? 79 TRP A HB3 5 ATOM 7334 H HD1 . TRP A 1 79 ? 1.822 -12.929 -0.954 1.00 0.00 ? 79 TRP A HD1 5 ATOM 7335 H HE1 . TRP A 1 79 ? 1.011 -13.506 -3.328 1.00 0.00 ? 79 TRP A HE1 5 ATOM 7336 H HE3 . TRP A 1 79 ? 4.504 -9.466 -3.591 1.00 0.00 ? 79 TRP A HE3 5 ATOM 7337 H HZ2 . TRP A 1 79 ? 1.451 -12.611 -5.969 1.00 0.00 ? 79 TRP A HZ2 5 ATOM 7338 H HZ3 . TRP A 1 79 ? 4.251 -9.393 -6.037 1.00 0.00 ? 79 TRP A HZ3 5 ATOM 7339 H HH2 . TRP A 1 79 ? 2.757 -10.934 -7.200 1.00 0.00 ? 79 TRP A HH2 5 ATOM 7340 N N . LYS A 1 80 ? 6.116 -12.412 -0.494 1.00 0.00 ? 80 LYS A N 5 ATOM 7341 C CA . LYS A 1 80 ? 7.133 -13.377 -0.896 1.00 0.00 ? 80 LYS A CA 5 ATOM 7342 C C . LYS A 1 80 ? 7.181 -14.553 0.074 1.00 0.00 ? 80 LYS A C 5 ATOM 7343 O O . LYS A 1 80 ? 7.483 -15.681 -0.317 1.00 0.00 ? 80 LYS A O 5 ATOM 7344 C CB . LYS A 1 80 ? 8.505 -12.703 -0.965 1.00 0.00 ? 80 LYS A CB 5 ATOM 7345 C CG . LYS A 1 80 ? 9.140 -12.475 0.396 1.00 0.00 ? 80 LYS A CG 5 ATOM 7346 C CD . LYS A 1 80 ? 10.477 -11.762 0.275 1.00 0.00 ? 80 LYS A CD 5 ATOM 7347 C CE . LYS A 1 80 ? 11.170 -11.645 1.624 1.00 0.00 ? 80 LYS A CE 5 ATOM 7348 N NZ . LYS A 1 80 ? 12.464 -10.916 1.521 1.00 0.00 ? 80 LYS A NZ 5 ATOM 7349 H H . LYS A 1 80 ? 6.310 -11.454 -0.567 1.00 0.00 ? 80 LYS A H 5 ATOM 7350 H HA . LYS A 1 80 ? 6.872 -13.745 -1.876 1.00 0.00 ? 80 LYS A HA 5 ATOM 7351 H HB2 . LYS A 1 80 ? 9.168 -13.324 -1.549 1.00 0.00 ? 80 LYS A HB2 5 ATOM 7352 H HB3 . LYS A 1 80 ? 8.398 -11.746 -1.454 1.00 0.00 ? 80 LYS A HB3 5 ATOM 7353 H HG2 . LYS A 1 80 ? 8.476 -11.871 0.996 1.00 0.00 ? 80 LYS A HG2 5 ATOM 7354 H HG3 . LYS A 1 80 ? 9.294 -13.431 0.876 1.00 0.00 ? 80 LYS A HG3 5 ATOM 7355 H HD2 . LYS A 1 80 ? 11.113 -12.320 -0.396 1.00 0.00 ? 80 LYS A HD2 5 ATOM 7356 H HD3 . LYS A 1 80 ? 10.312 -10.771 -0.123 1.00 0.00 ? 80 LYS A HD3 5 ATOM 7357 H HE2 . LYS A 1 80 ? 10.520 -11.114 2.302 1.00 0.00 ? 80 LYS A HE2 5 ATOM 7358 H HE3 . LYS A 1 80 ? 11.355 -12.638 2.006 1.00 0.00 ? 80 LYS A HE3 5 ATOM 7359 H HZ1 . LYS A 1 80 ? 12.306 -9.959 1.145 1.00 0.00 ? 80 LYS A HZ1 5 ATOM 7360 H HZ2 . LYS A 1 80 ? 13.110 -11.423 0.883 1.00 0.00 ? 80 LYS A HZ2 5 ATOM 7361 H HZ3 . LYS A 1 80 ? 12.907 -10.840 2.458 1.00 0.00 ? 80 LYS A HZ3 5 ATOM 7362 N N . ARG A 1 81 ? 6.879 -14.283 1.340 1.00 0.00 ? 81 ARG A N 5 ATOM 7363 C CA . ARG A 1 81 ? 6.888 -15.320 2.365 1.00 0.00 ? 81 ARG A CA 5 ATOM 7364 C C . ARG A 1 81 ? 5.805 -16.361 2.095 1.00 0.00 ? 81 ARG A C 5 ATOM 7365 O O . ARG A 1 81 ? 6.087 -17.555 2.007 1.00 0.00 ? 81 ARG A O 5 ATOM 7366 C CB . ARG A 1 81 ? 6.681 -14.700 3.749 1.00 0.00 ? 81 ARG A CB 5 ATOM 7367 C CG . ARG A 1 81 ? 7.953 -14.138 4.360 1.00 0.00 ? 81 ARG A CG 5 ATOM 7368 C CD . ARG A 1 81 ? 7.723 -13.664 5.787 1.00 0.00 ? 81 ARG A CD 5 ATOM 7369 N NE . ARG A 1 81 ? 7.936 -14.733 6.759 1.00 0.00 ? 81 ARG A NE 5 ATOM 7370 C CZ . ARG A 1 81 ? 7.603 -14.636 8.042 1.00 0.00 ? 81 ARG A CZ 5 ATOM 7371 N NH1 . ARG A 1 81 ? 7.045 -13.526 8.504 1.00 0.00 ? 81 ARG A NH1 5 ATOM 7372 N NH2 . ARG A 1 81 ? 7.829 -15.652 8.865 1.00 0.00 ? 81 ARG A NH2 5 ATOM 7373 H H . ARG A 1 81 ? 6.646 -13.365 1.591 1.00 0.00 ? 81 ARG A H 5 ATOM 7374 H HA . ARG A 1 81 ? 7.852 -15.805 2.338 1.00 0.00 ? 81 ARG A HA 5 ATOM 7375 H HB2 . ARG A 1 81 ? 5.962 -13.899 3.668 1.00 0.00 ? 81 ARG A HB2 5 ATOM 7376 H HB3 . ARG A 1 81 ? 6.291 -15.457 4.413 1.00 0.00 ? 81 ARG A HB3 5 ATOM 7377 H HG2 . ARG A 1 81 ? 8.710 -14.908 4.366 1.00 0.00 ? 81 ARG A HG2 5 ATOM 7378 H HG3 . ARG A 1 81 ? 8.290 -13.304 3.763 1.00 0.00 ? 81 ARG A HG3 5 ATOM 7379 H HD2 . ARG A 1 81 ? 8.408 -12.856 5.999 1.00 0.00 ? 81 ARG A HD2 5 ATOM 7380 H HD3 . ARG A 1 81 ? 6.708 -13.307 5.874 1.00 0.00 ? 81 ARG A HD3 5 ATOM 7381 H HE . ARG A 1 81 ? 8.347 -15.562 6.440 1.00 0.00 ? 81 ARG A HE 5 ATOM 7382 H HH11 . ARG A 1 81 ? 6.874 -12.759 7.886 1.00 0.00 ? 81 ARG A HH11 5 ATOM 7383 H HH12 . ARG A 1 81 ? 6.795 -13.456 9.470 1.00 0.00 ? 81 ARG A HH12 5 ATOM 7384 H HH21 . ARG A 1 81 ? 8.249 -16.491 8.521 1.00 0.00 ? 81 ARG A HH21 5 ATOM 7385 H HH22 . ARG A 1 81 ? 7.578 -15.579 9.830 1.00 0.00 ? 81 ARG A HH22 5 ATOM 7386 N N . ALA A 1 82 ? 4.566 -15.898 1.965 1.00 0.00 ? 82 ALA A N 5 ATOM 7387 C CA . ALA A 1 82 ? 3.442 -16.788 1.704 1.00 0.00 ? 82 ALA A CA 5 ATOM 7388 C C . ALA A 1 82 ? 3.745 -17.730 0.543 1.00 0.00 ? 82 ALA A C 5 ATOM 7389 O O . ALA A 1 82 ? 3.375 -18.904 0.569 1.00 0.00 ? 82 ALA A O 5 ATOM 7390 C CB . ALA A 1 82 ? 2.185 -15.981 1.415 1.00 0.00 ? 82 ALA A CB 5 ATOM 7391 H H . ALA A 1 82 ? 4.405 -14.935 2.045 1.00 0.00 ? 82 ALA A H 5 ATOM 7392 H HA . ALA A 1 82 ? 3.267 -17.375 2.594 1.00 0.00 ? 82 ALA A HA 5 ATOM 7393 H HB1 . ALA A 1 82 ? 1.972 -16.013 0.357 1.00 0.00 ? 82 ALA A HB1 5 ATOM 7394 H HB2 . ALA A 1 82 ? 1.355 -16.400 1.963 1.00 0.00 ? 82 ALA A HB2 5 ATOM 7395 H HB3 . ALA A 1 82 ? 2.338 -14.956 1.721 1.00 0.00 ? 82 ALA A HB3 5 ATOM 7396 N N . LYS A 1 83 ? 4.422 -17.208 -0.475 1.00 0.00 ? 83 LYS A N 5 ATOM 7397 C CA . LYS A 1 83 ? 4.776 -18.002 -1.645 1.00 0.00 ? 83 LYS A CA 5 ATOM 7398 C C . LYS A 1 83 ? 5.525 -19.267 -1.238 1.00 0.00 ? 83 LYS A C 5 ATOM 7399 O O . LYS A 1 83 ? 5.474 -20.281 -1.936 1.00 0.00 ? 83 LYS A O 5 ATOM 7400 C CB . LYS A 1 83 ? 5.634 -17.176 -2.606 1.00 0.00 ? 83 LYS A CB 5 ATOM 7401 C CG . LYS A 1 83 ? 5.004 -15.851 -2.999 1.00 0.00 ? 83 LYS A CG 5 ATOM 7402 C CD . LYS A 1 83 ? 3.944 -16.035 -4.072 1.00 0.00 ? 83 LYS A CD 5 ATOM 7403 C CE . LYS A 1 83 ? 4.539 -15.931 -5.468 1.00 0.00 ? 83 LYS A CE 5 ATOM 7404 N NZ . LYS A 1 83 ? 5.170 -17.209 -5.898 1.00 0.00 ? 83 LYS A NZ 5 ATOM 7405 H H . LYS A 1 83 ? 4.690 -16.266 -0.437 1.00 0.00 ? 83 LYS A H 5 ATOM 7406 H HA . LYS A 1 83 ? 3.862 -18.284 -2.144 1.00 0.00 ? 83 LYS A HA 5 ATOM 7407 H HB2 . LYS A 1 83 ? 6.586 -16.973 -2.136 1.00 0.00 ? 83 LYS A HB2 5 ATOM 7408 H HB3 . LYS A 1 83 ? 5.802 -17.751 -3.505 1.00 0.00 ? 83 LYS A HB3 5 ATOM 7409 H HG2 . LYS A 1 83 ? 4.545 -15.408 -2.127 1.00 0.00 ? 83 LYS A HG2 5 ATOM 7410 H HG3 . LYS A 1 83 ? 5.774 -15.194 -3.376 1.00 0.00 ? 83 LYS A HG3 5 ATOM 7411 H HD2 . LYS A 1 83 ? 3.492 -17.009 -3.957 1.00 0.00 ? 83 LYS A HD2 5 ATOM 7412 H HD3 . LYS A 1 83 ? 3.189 -15.270 -3.954 1.00 0.00 ? 83 LYS A HD3 5 ATOM 7413 H HE2 . LYS A 1 83 ? 3.754 -15.675 -6.162 1.00 0.00 ? 83 LYS A HE2 5 ATOM 7414 H HE3 . LYS A 1 83 ? 5.288 -15.152 -5.468 1.00 0.00 ? 83 LYS A HE3 5 ATOM 7415 H HZ1 . LYS A 1 83 ? 6.176 -17.218 -5.634 1.00 0.00 ? 83 LYS A HZ1 5 ATOM 7416 H HZ2 . LYS A 1 83 ? 5.094 -17.316 -6.930 1.00 0.00 ? 83 LYS A HZ2 5 ATOM 7417 H HZ3 . LYS A 1 83 ? 4.695 -18.014 -5.442 1.00 0.00 ? 83 LYS A HZ3 5 ATOM 7418 N N . ARG A 1 84 ? 6.217 -19.202 -0.106 1.00 0.00 ? 84 ARG A N 5 ATOM 7419 C CA . ARG A 1 84 ? 6.975 -20.342 0.393 1.00 0.00 ? 84 ARG A CA 5 ATOM 7420 C C . ARG A 1 84 ? 6.140 -21.164 1.372 1.00 0.00 ? 84 ARG A C 5 ATOM 7421 O O . ARG A 1 84 ? 6.092 -22.390 1.282 1.00 0.00 ? 84 ARG A O 5 ATOM 7422 C CB . ARG A 1 84 ? 8.260 -19.869 1.075 1.00 0.00 ? 84 ARG A CB 5 ATOM 7423 C CG . ARG A 1 84 ? 8.828 -18.590 0.483 1.00 0.00 ? 84 ARG A CG 5 ATOM 7424 C CD . ARG A 1 84 ? 9.515 -18.850 -0.849 1.00 0.00 ? 84 ARG A CD 5 ATOM 7425 N NE . ARG A 1 84 ? 10.932 -19.162 -0.682 1.00 0.00 ? 84 ARG A NE 5 ATOM 7426 C CZ . ARG A 1 84 ? 11.802 -19.189 -1.685 1.00 0.00 ? 84 ARG A CZ 5 ATOM 7427 N NH1 . ARG A 1 84 ? 11.402 -18.924 -2.921 1.00 0.00 ? 84 ARG A NH1 5 ATOM 7428 N NH2 . ARG A 1 84 ? 13.076 -19.481 -1.454 1.00 0.00 ? 84 ARG A NH2 5 ATOM 7429 H H . ARG A 1 84 ? 6.218 -18.366 0.406 1.00 0.00 ? 84 ARG A H 5 ATOM 7430 H HA . ARG A 1 84 ? 7.234 -20.964 -0.451 1.00 0.00 ? 84 ARG A HA 5 ATOM 7431 H HB2 . ARG A 1 84 ? 8.055 -19.695 2.122 1.00 0.00 ? 84 ARG A HB2 5 ATOM 7432 H HB3 . ARG A 1 84 ? 9.006 -20.644 0.987 1.00 0.00 ? 84 ARG A HB3 5 ATOM 7433 H HG2 . ARG A 1 84 ? 8.023 -17.887 0.328 1.00 0.00 ? 84 ARG A HG2 5 ATOM 7434 H HG3 . ARG A 1 84 ? 9.546 -18.172 1.173 1.00 0.00 ? 84 ARG A HG3 5 ATOM 7435 H HD2 . ARG A 1 84 ? 9.028 -19.683 -1.333 1.00 0.00 ? 84 ARG A HD2 5 ATOM 7436 H HD3 . ARG A 1 84 ? 9.420 -17.969 -1.466 1.00 0.00 ? 84 ARG A HD3 5 ATOM 7437 H HE . ARG A 1 84 ? 11.250 -19.361 0.223 1.00 0.00 ? 84 ARG A HE 5 ATOM 7438 H HH11 . ARG A 1 84 ? 10.443 -18.703 -3.099 1.00 0.00 ? 84 ARG A HH11 5 ATOM 7439 H HH12 . ARG A 1 84 ? 12.059 -18.944 -3.675 1.00 0.00 ? 84 ARG A HH12 5 ATOM 7440 H HH21 . ARG A 1 84 ? 13.381 -19.681 -0.523 1.00 0.00 ? 84 ARG A HH21 5 ATOM 7441 H HH22 . ARG A 1 84 ? 13.729 -19.501 -2.210 1.00 0.00 ? 84 ARG A HH22 5 ATOM 7442 N N . GLU A 1 85 ? 5.486 -20.479 2.304 1.00 0.00 ? 85 GLU A N 5 ATOM 7443 C CA . GLU A 1 85 ? 4.655 -21.146 3.299 1.00 0.00 ? 85 GLU A CA 5 ATOM 7444 C C . GLU A 1 85 ? 3.336 -21.607 2.686 1.00 0.00 ? 85 GLU A C 5 ATOM 7445 O O . GLU A 1 85 ? 2.565 -22.329 3.317 1.00 0.00 ? 85 GLU A O 5 ATOM 7446 C CB . GLU A 1 85 ? 4.382 -20.210 4.479 1.00 0.00 ? 85 GLU A CB 5 ATOM 7447 C CG . GLU A 1 85 ? 5.603 -19.425 4.928 1.00 0.00 ? 85 GLU A CG 5 ATOM 7448 C CD . GLU A 1 85 ? 6.402 -20.149 5.994 1.00 0.00 ? 85 GLU A CD 5 ATOM 7449 O OE1 . GLU A 1 85 ? 6.052 -20.020 7.186 1.00 0.00 ? 85 GLU A OE1 5 ATOM 7450 O OE2 . GLU A 1 85 ? 7.376 -20.843 5.637 1.00 0.00 ? 85 GLU A OE2 5 ATOM 7451 H H . GLU A 1 85 ? 5.565 -19.502 2.324 1.00 0.00 ? 85 GLU A H 5 ATOM 7452 H HA . GLU A 1 85 ? 5.194 -22.011 3.656 1.00 0.00 ? 85 GLU A HA 5 ATOM 7453 H HB2 . GLU A 1 85 ? 3.612 -19.508 4.195 1.00 0.00 ? 85 GLU A HB2 5 ATOM 7454 H HB3 . GLU A 1 85 ? 4.030 -20.797 5.314 1.00 0.00 ? 85 GLU A HB3 5 ATOM 7455 H HG2 . GLU A 1 85 ? 6.241 -19.257 4.073 1.00 0.00 ? 85 GLU A HG2 5 ATOM 7456 H HG3 . GLU A 1 85 ? 5.278 -18.475 5.325 1.00 0.00 ? 85 GLU A HG3 5 ATOM 7457 N N . GLU A 1 86 ? 3.084 -21.183 1.451 1.00 0.00 ? 86 GLU A N 5 ATOM 7458 C CA . GLU A 1 86 ? 1.858 -21.551 0.753 1.00 0.00 ? 86 GLU A CA 5 ATOM 7459 C C . GLU A 1 86 ? 2.010 -22.904 0.063 1.00 0.00 ? 86 GLU A C 5 ATOM 7460 O O . GLU A 1 86 ? 1.282 -23.851 0.362 1.00 0.00 ? 86 GLU A O 5 ATOM 7461 C CB . GLU A 1 86 ? 1.489 -20.480 -0.276 1.00 0.00 ? 86 GLU A CB 5 ATOM 7462 C CG . GLU A 1 86 ? 0.387 -20.907 -1.231 1.00 0.00 ? 86 GLU A CG 5 ATOM 7463 C CD . GLU A 1 86 ? -0.998 -20.741 -0.635 1.00 0.00 ? 86 GLU A CD 5 ATOM 7464 O OE1 . GLU A 1 86 ? -1.334 -19.610 -0.225 1.00 0.00 ? 86 GLU A OE1 5 ATOM 7465 O OE2 . GLU A 1 86 ? -1.744 -21.740 -0.579 1.00 0.00 ? 86 GLU A OE2 5 ATOM 7466 H H . GLU A 1 86 ? 3.737 -20.609 1.000 1.00 0.00 ? 86 GLU A H 5 ATOM 7467 H HA . GLU A 1 86 ? 1.068 -21.621 1.485 1.00 0.00 ? 86 GLU A HA 5 ATOM 7468 H HB2 . GLU A 1 86 ? 1.161 -19.594 0.247 1.00 0.00 ? 86 GLU A HB2 5 ATOM 7469 H HB3 . GLU A 1 86 ? 2.367 -20.240 -0.857 1.00 0.00 ? 86 GLU A HB3 5 ATOM 7470 H HG2 . GLU A 1 86 ? 0.451 -20.307 -2.126 1.00 0.00 ? 86 GLU A HG2 5 ATOM 7471 H HG3 . GLU A 1 86 ? 0.531 -21.947 -1.484 1.00 0.00 ? 86 GLU A HG3 5 ATOM 7472 N N . ARG A 1 87 ? 2.960 -22.986 -0.862 1.00 0.00 ? 87 ARG A N 5 ATOM 7473 C CA . ARG A 1 87 ? 3.207 -24.221 -1.597 1.00 0.00 ? 87 ARG A CA 5 ATOM 7474 C C . ARG A 1 87 ? 3.778 -25.296 -0.676 1.00 0.00 ? 87 ARG A C 5 ATOM 7475 O O . ARG A 1 87 ? 3.604 -26.491 -0.917 1.00 0.00 ? 87 ARG A O 5 ATOM 7476 C CB . ARG A 1 87 ? 4.170 -23.965 -2.758 1.00 0.00 ? 87 ARG A CB 5 ATOM 7477 C CG . ARG A 1 87 ? 3.516 -23.294 -3.954 1.00 0.00 ? 87 ARG A CG 5 ATOM 7478 C CD . ARG A 1 87 ? 2.612 -22.149 -3.525 1.00 0.00 ? 87 ARG A CD 5 ATOM 7479 N NE . ARG A 1 87 ? 1.971 -21.500 -4.666 1.00 0.00 ? 87 ARG A NE 5 ATOM 7480 C CZ . ARG A 1 87 ? 0.907 -21.993 -5.289 1.00 0.00 ? 87 ARG A CZ 5 ATOM 7481 N NH1 . ARG A 1 87 ? 0.366 -23.133 -4.884 1.00 0.00 ? 87 ARG A NH1 5 ATOM 7482 N NH2 . ARG A 1 87 ? 0.381 -21.344 -6.320 1.00 0.00 ? 87 ARG A NH2 5 ATOM 7483 H H . ARG A 1 87 ? 3.508 -22.197 -1.057 1.00 0.00 ? 87 ARG A H 5 ATOM 7484 H HA . ARG A 1 87 ? 2.264 -24.566 -1.992 1.00 0.00 ? 87 ARG A HA 5 ATOM 7485 H HB2 . ARG A 1 87 ? 4.973 -23.331 -2.412 1.00 0.00 ? 87 ARG A HB2 5 ATOM 7486 H HB3 . ARG A 1 87 ? 4.581 -24.909 -3.083 1.00 0.00 ? 87 ARG A HB3 5 ATOM 7487 H HG2 . ARG A 1 87 ? 4.286 -22.905 -4.603 1.00 0.00 ? 87 ARG A HG2 5 ATOM 7488 H HG3 . ARG A 1 87 ? 2.927 -24.025 -4.488 1.00 0.00 ? 87 ARG A HG3 5 ATOM 7489 H HD2 . ARG A 1 87 ? 1.847 -22.537 -2.869 1.00 0.00 ? 87 ARG A HD2 5 ATOM 7490 H HD3 . ARG A 1 87 ? 3.205 -21.419 -2.994 1.00 0.00 ? 87 ARG A HD3 5 ATOM 7491 H HE . ARG A 1 87 ? 2.355 -20.656 -4.982 1.00 0.00 ? 87 ARG A HE 5 ATOM 7492 H HH11 . ARG A 1 87 ? 0.760 -23.624 -4.107 1.00 0.00 ? 87 ARG A HH11 5 ATOM 7493 H HH12 . ARG A 1 87 ? -0.436 -23.502 -5.355 1.00 0.00 ? 87 ARG A HH12 5 ATOM 7494 H HH21 . ARG A 1 87 ? 0.786 -20.483 -6.629 1.00 0.00 ? 87 ARG A HH21 5 ATOM 7495 H HH22 . ARG A 1 87 ? -0.420 -21.715 -6.789 1.00 0.00 ? 87 ARG A HH22 5 ATOM 7496 N N . LEU A 1 88 ? 4.461 -24.863 0.378 1.00 0.00 ? 88 LEU A N 5 ATOM 7497 C CA . LEU A 1 88 ? 5.058 -25.788 1.335 1.00 0.00 ? 88 LEU A CA 5 ATOM 7498 C C . LEU A 1 88 ? 3.987 -26.437 2.206 1.00 0.00 ? 88 LEU A C 5 ATOM 7499 O O . LEU A 1 88 ? 3.969 -27.656 2.382 1.00 0.00 ? 88 LEU A O 5 ATOM 7500 C CB . LEU A 1 88 ? 6.073 -25.056 2.216 1.00 0.00 ? 88 LEU A CB 5 ATOM 7501 C CG . LEU A 1 88 ? 7.412 -24.719 1.558 1.00 0.00 ? 88 LEU A CG 5 ATOM 7502 C CD1 . LEU A 1 88 ? 8.125 -23.622 2.333 1.00 0.00 ? 88 LEU A CD1 5 ATOM 7503 C CD2 . LEU A 1 88 ? 8.286 -25.960 1.460 1.00 0.00 ? 88 LEU A CD2 5 ATOM 7504 H H . LEU A 1 88 ? 4.566 -23.899 0.517 1.00 0.00 ? 88 LEU A H 5 ATOM 7505 H HA . LEU A 1 88 ? 5.568 -26.559 0.777 1.00 0.00 ? 88 LEU A HA 5 ATOM 7506 H HB2 . LEU A 1 88 ? 5.622 -24.132 2.541 1.00 0.00 ? 88 LEU A HB2 5 ATOM 7507 H HB3 . LEU A 1 88 ? 6.273 -25.680 3.076 1.00 0.00 ? 88 LEU A HB3 5 ATOM 7508 H HG . LEU A 1 88 ? 7.232 -24.355 0.556 1.00 0.00 ? 88 LEU A HG 5 ATOM 7509 H HD11 . LEU A 1 88 ? 9.046 -24.010 2.741 1.00 0.00 ? 88 LEU A HD11 5 ATOM 7510 H HD12 . LEU A 1 88 ? 7.491 -23.279 3.137 1.00 0.00 ? 88 LEU A HD12 5 ATOM 7511 H HD13 . LEU A 1 88 ? 8.344 -22.797 1.671 1.00 0.00 ? 88 LEU A HD13 5 ATOM 7512 H HD21 . LEU A 1 88 ? 8.822 -25.950 0.522 1.00 0.00 ? 88 LEU A HD21 5 ATOM 7513 H HD22 . LEU A 1 88 ? 7.664 -26.843 1.509 1.00 0.00 ? 88 LEU A HD22 5 ATOM 7514 H HD23 . LEU A 1 88 ? 8.991 -25.970 2.278 1.00 0.00 ? 88 LEU A HD23 5 ATOM 7515 N N . LYS A 1 89 ? 3.094 -25.616 2.747 1.00 0.00 ? 89 LYS A N 5 ATOM 7516 C CA . LYS A 1 89 ? 2.017 -26.109 3.597 1.00 0.00 ? 89 LYS A CA 5 ATOM 7517 C C . LYS A 1 89 ? 0.983 -26.873 2.776 1.00 0.00 ? 89 LYS A C 5 ATOM 7518 O O . LYS A 1 89 ? 0.354 -27.810 3.269 1.00 0.00 ? 89 LYS A O 5 ATOM 7519 C CB . LYS A 1 89 ? 1.344 -24.946 4.330 1.00 0.00 ? 89 LYS A CB 5 ATOM 7520 C CG . LYS A 1 89 ? 0.309 -24.216 3.491 1.00 0.00 ? 89 LYS A CG 5 ATOM 7521 C CD . LYS A 1 89 ? -0.317 -23.064 4.257 1.00 0.00 ? 89 LYS A CD 5 ATOM 7522 C CE . LYS A 1 89 ? -1.734 -22.783 3.781 1.00 0.00 ? 89 LYS A CE 5 ATOM 7523 N NZ . LYS A 1 89 ? -2.454 -21.855 4.697 1.00 0.00 ? 89 LYS A NZ 5 ATOM 7524 H H . LYS A 1 89 ? 3.161 -24.654 2.570 1.00 0.00 ? 89 LYS A H 5 ATOM 7525 H HA . LYS A 1 89 ? 2.449 -26.780 4.324 1.00 0.00 ? 89 LYS A HA 5 ATOM 7526 H HB2 . LYS A 1 89 ? 0.856 -25.328 5.214 1.00 0.00 ? 89 LYS A HB2 5 ATOM 7527 H HB3 . LYS A 1 89 ? 2.103 -24.236 4.626 1.00 0.00 ? 89 LYS A HB3 5 ATOM 7528 H HG2 . LYS A 1 89 ? 0.787 -23.827 2.604 1.00 0.00 ? 89 LYS A HG2 5 ATOM 7529 H HG3 . LYS A 1 89 ? -0.467 -24.913 3.207 1.00 0.00 ? 89 LYS A HG3 5 ATOM 7530 H HD2 . LYS A 1 89 ? -0.346 -23.314 5.307 1.00 0.00 ? 89 LYS A HD2 5 ATOM 7531 H HD3 . LYS A 1 89 ? 0.284 -22.177 4.112 1.00 0.00 ? 89 LYS A HD3 5 ATOM 7532 H HE2 . LYS A 1 89 ? -1.689 -22.341 2.798 1.00 0.00 ? 89 LYS A HE2 5 ATOM 7533 H HE3 . LYS A 1 89 ? -2.275 -23.717 3.731 1.00 0.00 ? 89 LYS A HE3 5 ATOM 7534 H HZ1 . LYS A 1 89 ? -2.821 -22.378 5.518 1.00 0.00 ? 89 LYS A HZ1 5 ATOM 7535 H HZ2 . LYS A 1 89 ? -3.250 -21.408 4.200 1.00 0.00 ? 89 LYS A HZ2 5 ATOM 7536 H HZ3 . LYS A 1 89 ? -1.808 -21.113 5.033 1.00 0.00 ? 89 LYS A HZ3 5 ATOM 7537 N N . ALA A 1 90 ? 0.813 -26.469 1.522 1.00 0.00 ? 90 ALA A N 5 ATOM 7538 C CA . ALA A 1 90 ? -0.142 -27.118 0.632 1.00 0.00 ? 90 ALA A CA 5 ATOM 7539 C C . ALA A 1 90 ? 0.250 -28.568 0.371 1.00 0.00 ? 90 ALA A C 5 ATOM 7540 O O . ALA A 1 90 ? -0.467 -29.494 0.753 1.00 0.00 ? 90 ALA A O 5 ATOM 7541 C CB . ALA A 1 90 ? -0.246 -26.353 -0.679 1.00 0.00 ? 90 ALA A CB 5 ATOM 7542 H H . ALA A 1 90 ? 1.344 -25.717 1.187 1.00 0.00 ? 90 ALA A H 5 ATOM 7543 H HA . ALA A 1 90 ? -1.110 -27.097 1.110 1.00 0.00 ? 90 ALA A HA 5 ATOM 7544 H HB1 . ALA A 1 90 ? -1.207 -26.546 -1.132 1.00 0.00 ? 90 ALA A HB1 5 ATOM 7545 H HB2 . ALA A 1 90 ? -0.144 -25.295 -0.487 1.00 0.00 ? 90 ALA A HB2 5 ATOM 7546 H HB3 . ALA A 1 90 ? 0.539 -26.676 -1.347 1.00 0.00 ? 90 ALA A HB3 5 ATOM 7547 N N . HIS A 1 91 ? 1.391 -28.760 -0.283 1.00 0.00 ? 91 HIS A N 5 ATOM 7548 C CA . HIS A 1 91 ? 1.877 -30.099 -0.596 1.00 0.00 ? 91 HIS A CA 5 ATOM 7549 C C . HIS A 1 91 ? 3.323 -30.052 -1.081 1.00 0.00 ? 91 HIS A C 5 ATOM 7550 O O . HIS A 1 91 ? 3.711 -29.148 -1.821 1.00 0.00 ? 91 HIS A O 5 ATOM 7551 C CB . HIS A 1 91 ? 0.992 -30.751 -1.658 1.00 0.00 ? 91 HIS A CB 5 ATOM 7552 C CG . HIS A 1 91 ? 1.643 -31.907 -2.354 1.00 0.00 ? 91 HIS A CG 5 ATOM 7553 N ND1 . HIS A 1 91 ? 1.338 -33.222 -2.074 1.00 0.00 ? 91 HIS A ND1 5 ATOM 7554 C CD2 . HIS A 1 91 ? 2.586 -31.939 -3.324 1.00 0.00 ? 91 HIS A CD2 5 ATOM 7555 C CE1 . HIS A 1 91 ? 2.067 -34.013 -2.840 1.00 0.00 ? 91 HIS A CE1 5 ATOM 7556 N NE2 . HIS A 1 91 ? 2.833 -33.259 -3.608 1.00 0.00 ? 91 HIS A NE2 5 ATOM 7557 H H . HIS A 1 91 ? 1.918 -27.982 -0.562 1.00 0.00 ? 91 HIS A H 5 ATOM 7558 H HA . HIS A 1 91 ? 1.833 -30.687 0.308 1.00 0.00 ? 91 HIS A HA 5 ATOM 7559 H HB2 . HIS A 1 91 ? 0.087 -31.112 -1.191 1.00 0.00 ? 91 HIS A HB2 5 ATOM 7560 H HB3 . HIS A 1 91 ? 0.735 -30.014 -2.406 1.00 0.00 ? 91 HIS A HB3 5 ATOM 7561 H HD1 . HIS A 1 91 ? 0.686 -33.530 -1.411 1.00 0.00 ? 91 HIS A HD1 5 ATOM 7562 H HD2 . HIS A 1 91 ? 3.059 -31.084 -3.788 1.00 0.00 ? 91 HIS A HD2 5 ATOM 7563 H HE1 . HIS A 1 91 ? 2.042 -35.093 -2.840 1.00 0.00 ? 91 HIS A HE1 5 ATOM 7564 H HE2 . HIS A 1 91 ? 3.531 -33.592 -4.209 1.00 0.00 ? 91 HIS A HE2 5 ATOM 7565 N N . SER A 1 92 ? 4.116 -31.032 -0.658 1.00 0.00 ? 92 SER A N 5 ATOM 7566 C CA . SER A 1 92 ? 5.520 -31.100 -1.046 1.00 0.00 ? 92 SER A CA 5 ATOM 7567 C C . SER A 1 92 ? 5.661 -31.193 -2.562 1.00 0.00 ? 92 SER A C 5 ATOM 7568 O O . SER A 1 92 ? 5.374 -32.229 -3.161 1.00 0.00 ? 92 SER A O 5 ATOM 7569 C CB . SER A 1 92 ? 6.196 -32.302 -0.384 1.00 0.00 ? 92 SER A CB 5 ATOM 7570 O OG . SER A 1 92 ? 5.626 -33.519 -0.834 1.00 0.00 ? 92 SER A OG 5 ATOM 7571 H H . SER A 1 92 ? 3.748 -31.724 -0.070 1.00 0.00 ? 92 SER A H 5 ATOM 7572 H HA . SER A 1 92 ? 6.002 -30.195 -0.706 1.00 0.00 ? 92 SER A HA 5 ATOM 7573 H HB2 . SER A 1 92 ? 7.247 -32.300 -0.626 1.00 0.00 ? 92 SER A HB2 5 ATOM 7574 H HB3 . SER A 1 92 ? 6.073 -32.236 0.688 1.00 0.00 ? 92 SER A HB3 5 ATOM 7575 H HG . SER A 1 92 ? 5.244 -33.391 -1.706 1.00 0.00 ? 92 SER A HG 5 ATOM 7576 N N . GLY A 1 93 ? 6.107 -30.102 -3.177 1.00 0.00 ? 93 GLY A N 5 ATOM 7577 C CA . GLY A 1 93 ? 6.279 -30.081 -4.618 1.00 0.00 ? 93 GLY A CA 5 ATOM 7578 C C . GLY A 1 93 ? 7.735 -29.980 -5.026 1.00 0.00 ? 93 GLY A C 5 ATOM 7579 O O . GLY A 1 93 ? 8.442 -30.982 -5.138 1.00 0.00 ? 93 GLY A O 5 ATOM 7580 H H . GLY A 1 93 ? 6.321 -29.305 -2.648 1.00 0.00 ? 93 GLY A H 5 ATOM 7581 H HA2 . GLY A 1 93 ? 5.861 -30.985 -5.033 1.00 0.00 ? 93 GLY A HA2 5 ATOM 7582 H HA3 . GLY A 1 93 ? 5.745 -29.232 -5.020 1.00 0.00 ? 93 GLY A HA3 5 ATOM 7583 N N . PRO A 1 94 ? 8.205 -28.745 -5.258 1.00 0.00 ? 94 PRO A N 5 ATOM 7584 C CA . PRO A 1 94 ? 9.591 -28.488 -5.662 1.00 0.00 ? 94 PRO A CA 5 ATOM 7585 C C . PRO A 1 94 ? 10.582 -28.759 -4.536 1.00 0.00 ? 94 PRO A C 5 ATOM 7586 O O . PRO A 1 94 ? 11.794 -28.764 -4.751 1.00 0.00 ? 94 PRO A O 5 ATOM 7587 C CB . PRO A 1 94 ? 9.585 -27.000 -6.023 1.00 0.00 ? 94 PRO A CB 5 ATOM 7588 C CG . PRO A 1 94 ? 8.461 -26.424 -5.233 1.00 0.00 ? 94 PRO A CG 5 ATOM 7589 C CD . PRO A 1 94 ? 7.419 -27.505 -5.145 1.00 0.00 ? 94 PRO A CD 5 ATOM 7590 H HA . PRO A 1 94 ? 9.866 -29.070 -6.530 1.00 0.00 ? 94 PRO A HA 5 ATOM 7591 H HB2 . PRO A 1 94 ? 10.531 -26.557 -5.747 1.00 0.00 ? 94 PRO A HB2 5 ATOM 7592 H HB3 . PRO A 1 94 ? 9.422 -26.884 -7.084 1.00 0.00 ? 94 PRO A HB3 5 ATOM 7593 H HG2 . PRO A 1 94 ? 8.805 -26.153 -4.247 1.00 0.00 ? 94 PRO A HG2 5 ATOM 7594 H HG3 . PRO A 1 94 ? 8.060 -25.559 -5.743 1.00 0.00 ? 94 PRO A HG3 5 ATOM 7595 H HD2 . PRO A 1 94 ? 6.907 -27.459 -4.195 1.00 0.00 ? 94 PRO A HD2 5 ATOM 7596 H HD3 . PRO A 1 94 ? 6.716 -27.419 -5.960 1.00 0.00 ? 94 PRO A HD3 5 ATOM 7597 N N . SER A 1 95 ? 10.059 -28.985 -3.335 1.00 0.00 ? 95 SER A N 5 ATOM 7598 C CA . SER A 1 95 ? 10.899 -29.254 -2.174 1.00 0.00 ? 95 SER A CA 5 ATOM 7599 C C . SER A 1 95 ? 11.741 -30.507 -2.391 1.00 0.00 ? 95 SER A C 5 ATOM 7600 O O . SER A 1 95 ? 11.215 -31.618 -2.462 1.00 0.00 ? 95 SER A O 5 ATOM 7601 C CB . SER A 1 95 ? 10.037 -29.416 -0.920 1.00 0.00 ? 95 SER A CB 5 ATOM 7602 O OG . SER A 1 95 ? 9.639 -30.765 -0.746 1.00 0.00 ? 95 SER A OG 5 ATOM 7603 H H . SER A 1 95 ? 9.085 -28.968 -3.227 1.00 0.00 ? 95 SER A H 5 ATOM 7604 H HA . SER A 1 95 ? 11.559 -28.410 -2.039 1.00 0.00 ? 95 SER A HA 5 ATOM 7605 H HB2 . SER A 1 95 ? 10.602 -29.105 -0.055 1.00 0.00 ? 95 SER A HB2 5 ATOM 7606 H HB3 . SER A 1 95 ? 9.153 -28.801 -1.013 1.00 0.00 ? 95 SER A HB3 5 ATOM 7607 H HG . SER A 1 95 ? 9.192 -30.860 0.098 1.00 0.00 ? 95 SER A HG 5 ATOM 7608 N N . SER A 1 96 ? 13.053 -30.321 -2.495 1.00 0.00 ? 96 SER A N 5 ATOM 7609 C CA . SER A 1 96 ? 13.969 -31.435 -2.708 1.00 0.00 ? 96 SER A CA 5 ATOM 7610 C C . SER A 1 96 ? 14.880 -31.628 -1.499 1.00 0.00 ? 96 SER A C 5 ATOM 7611 O O . SER A 1 96 ? 14.826 -30.862 -0.538 1.00 0.00 ? 96 SER A O 5 ATOM 7612 C CB . SER A 1 96 ? 14.812 -31.197 -3.962 1.00 0.00 ? 96 SER A CB 5 ATOM 7613 O OG . SER A 1 96 ? 14.174 -31.724 -5.113 1.00 0.00 ? 96 SER A OG 5 ATOM 7614 H H . SER A 1 96 ? 13.413 -29.411 -2.429 1.00 0.00 ? 96 SER A H 5 ATOM 7615 H HA . SER A 1 96 ? 13.378 -32.328 -2.845 1.00 0.00 ? 96 SER A HA 5 ATOM 7616 H HB2 . SER A 1 96 ? 14.957 -30.137 -4.100 1.00 0.00 ? 96 SER A HB2 5 ATOM 7617 H HB3 . SER A 1 96 ? 15.772 -31.680 -3.845 1.00 0.00 ? 96 SER A HB3 5 ATOM 7618 H HG . SER A 1 96 ? 14.448 -32.636 -5.242 1.00 0.00 ? 96 SER A HG 5 ATOM 7619 N N . GLY A 1 97 ? 15.717 -32.660 -1.555 1.00 0.00 ? 97 GLY A N 5 ATOM 7620 C CA . GLY A 1 97 ? 16.627 -32.937 -0.459 1.00 0.00 ? 97 GLY A CA 5 ATOM 7621 C C . GLY A 1 97 ? 17.792 -33.812 -0.881 1.00 0.00 ? 97 GLY A C 5 ATOM 7622 O O . GLY A 1 97 ? 18.193 -34.717 -0.150 1.00 0.00 ? 97 GLY A O 5 ATOM 7623 H H . GLY A 1 97 ? 15.715 -33.238 -2.347 1.00 0.00 ? 97 GLY A H 5 ATOM 7624 H HA2 . GLY A 1 97 ? 17.011 -32.002 -0.080 1.00 0.00 ? 97 GLY A HA2 5 ATOM 7625 H HA3 . GLY A 1 97 ? 16.083 -33.438 0.328 1.00 0.00 ? 97 GLY A HA3 5 ATOM 7626 N N . GLY A 1 1 ? -4.553 11.418 19.194 1.00 0.00 ? 1 GLY A N 6 ATOM 7627 C CA . GLY A 1 1 ? -5.060 12.225 18.099 1.00 0.00 ? 1 GLY A CA 6 ATOM 7628 C C . GLY A 1 1 ? -4.427 13.601 18.050 1.00 0.00 ? 1 GLY A C 6 ATOM 7629 O O . GLY A 1 1 ? -3.374 13.828 18.644 1.00 0.00 ? 1 GLY A O 6 ATOM 7630 H H1 . GLY A 1 1 ? -5.177 10.938 19.776 1.00 0.00 ? 1 GLY A H1 6 ATOM 7631 H HA2 . GLY A 1 1 ? -4.861 11.715 17.168 1.00 0.00 ? 1 GLY A HA2 6 ATOM 7632 H HA3 . GLY A 1 1 ? -6.128 12.337 18.215 1.00 0.00 ? 1 GLY A HA3 6 ATOM 7633 N N . SER A 1 2 ? -5.069 14.521 17.338 1.00 0.00 ? 2 SER A N 6 ATOM 7634 C CA . SER A 1 2 ? -4.560 15.881 17.209 1.00 0.00 ? 2 SER A CA 6 ATOM 7635 C C . SER A 1 2 ? -5.578 16.779 16.513 1.00 0.00 ? 2 SER A C 6 ATOM 7636 O O . SER A 1 2 ? -5.969 16.526 15.373 1.00 0.00 ? 2 SER A O 6 ATOM 7637 C CB . SER A 1 2 ? -3.243 15.883 16.429 1.00 0.00 ? 2 SER A CB 6 ATOM 7638 O OG . SER A 1 2 ? -3.458 15.559 15.066 1.00 0.00 ? 2 SER A OG 6 ATOM 7639 H H . SER A 1 2 ? -5.905 14.279 16.887 1.00 0.00 ? 2 SER A H 6 ATOM 7640 H HA . SER A 1 2 ? -4.380 16.264 18.203 1.00 0.00 ? 2 SER A HA 6 ATOM 7641 H HB2 . SER A 1 2 ? -2.795 16.863 16.487 1.00 0.00 ? 2 SER A HB2 6 ATOM 7642 H HB3 . SER A 1 2 ? -2.572 15.154 16.859 1.00 0.00 ? 2 SER A HB3 6 ATOM 7643 H HG . SER A 1 2 ? -3.242 14.635 14.919 1.00 0.00 ? 2 SER A HG 6 ATOM 7644 N N . SER A 1 3 ? -6.003 17.830 17.207 1.00 0.00 ? 3 SER A N 6 ATOM 7645 C CA . SER A 1 3 ? -6.978 18.765 16.658 1.00 0.00 ? 3 SER A CA 6 ATOM 7646 C C . SER A 1 3 ? -6.351 19.627 15.567 1.00 0.00 ? 3 SER A C 6 ATOM 7647 O O . SER A 1 3 ? -5.158 19.521 15.286 1.00 0.00 ? 3 SER A O 6 ATOM 7648 C CB . SER A 1 3 ? -7.541 19.656 17.767 1.00 0.00 ? 3 SER A CB 6 ATOM 7649 O OG . SER A 1 3 ? -6.538 20.504 18.299 1.00 0.00 ? 3 SER A OG 6 ATOM 7650 H H . SER A 1 3 ? -5.654 17.979 18.111 1.00 0.00 ? 3 SER A H 6 ATOM 7651 H HA . SER A 1 3 ? -7.784 18.189 16.227 1.00 0.00 ? 3 SER A HA 6 ATOM 7652 H HB2 . SER A 1 3 ? -8.336 20.267 17.366 1.00 0.00 ? 3 SER A HB2 6 ATOM 7653 H HB3 . SER A 1 3 ? -7.930 19.036 18.561 1.00 0.00 ? 3 SER A HB3 6 ATOM 7654 H HG . SER A 1 3 ? -6.763 20.739 19.202 1.00 0.00 ? 3 SER A HG 6 ATOM 7655 N N . GLY A 1 4 ? -7.165 20.480 14.954 1.00 0.00 ? 4 GLY A N 6 ATOM 7656 C CA . GLY A 1 4 ? -6.674 21.348 13.900 1.00 0.00 ? 4 GLY A CA 6 ATOM 7657 C C . GLY A 1 4 ? -6.212 20.575 12.681 1.00 0.00 ? 4 GLY A C 6 ATOM 7658 O O . GLY A 1 4 ? -5.732 19.448 12.797 1.00 0.00 ? 4 GLY A O 6 ATOM 7659 H H . GLY A 1 4 ? -8.108 20.521 15.220 1.00 0.00 ? 4 GLY A H 6 ATOM 7660 H HA2 . GLY A 1 4 ? -7.463 22.024 13.607 1.00 0.00 ? 4 GLY A HA2 6 ATOM 7661 H HA3 . GLY A 1 4 ? -5.844 21.925 14.282 1.00 0.00 ? 4 GLY A HA3 6 ATOM 7662 N N . SER A 1 5 ? -6.357 21.182 11.507 1.00 0.00 ? 5 SER A N 6 ATOM 7663 C CA . SER A 1 5 ? -5.956 20.541 10.260 1.00 0.00 ? 5 SER A CA 6 ATOM 7664 C C . SER A 1 5 ? -5.312 21.549 9.314 1.00 0.00 ? 5 SER A C 6 ATOM 7665 O O . SER A 1 5 ? -5.873 22.611 9.045 1.00 0.00 ? 5 SER A O 6 ATOM 7666 C CB . SER A 1 5 ? -7.165 19.890 9.585 1.00 0.00 ? 5 SER A CB 6 ATOM 7667 O OG . SER A 1 5 ? -7.869 19.059 10.491 1.00 0.00 ? 5 SER A OG 6 ATOM 7668 H H . SER A 1 5 ? -6.746 22.081 11.479 1.00 0.00 ? 5 SER A H 6 ATOM 7669 H HA . SER A 1 5 ? -5.232 19.776 10.499 1.00 0.00 ? 5 SER A HA 6 ATOM 7670 H HB2 . SER A 1 5 ? -7.832 20.660 9.228 1.00 0.00 ? 5 SER A HB2 6 ATOM 7671 H HB3 . SER A 1 5 ? -6.828 19.291 8.751 1.00 0.00 ? 5 SER A HB3 6 ATOM 7672 H HG . SER A 1 5 ? -8.396 18.424 10.000 1.00 0.00 ? 5 SER A HG 6 ATOM 7673 N N . SER A 1 6 ? -4.129 21.208 8.811 1.00 0.00 ? 6 SER A N 6 ATOM 7674 C CA . SER A 1 6 ? -3.406 22.084 7.898 1.00 0.00 ? 6 SER A CA 6 ATOM 7675 C C . SER A 1 6 ? -2.496 21.277 6.977 1.00 0.00 ? 6 SER A C 6 ATOM 7676 O O . SER A 1 6 ? -2.245 20.096 7.214 1.00 0.00 ? 6 SER A O 6 ATOM 7677 C CB . SER A 1 6 ? -2.579 23.105 8.683 1.00 0.00 ? 6 SER A CB 6 ATOM 7678 O OG . SER A 1 6 ? -1.449 22.495 9.280 1.00 0.00 ? 6 SER A OG 6 ATOM 7679 H H . SER A 1 6 ? -3.733 20.348 9.064 1.00 0.00 ? 6 SER A H 6 ATOM 7680 H HA . SER A 1 6 ? -4.133 22.609 7.296 1.00 0.00 ? 6 SER A HA 6 ATOM 7681 H HB2 . SER A 1 6 ? -2.243 23.883 8.014 1.00 0.00 ? 6 SER A HB2 6 ATOM 7682 H HB3 . SER A 1 6 ? -3.192 23.538 9.460 1.00 0.00 ? 6 SER A HB3 6 ATOM 7683 H HG . SER A 1 6 ? -0.666 23.019 9.094 1.00 0.00 ? 6 SER A HG 6 ATOM 7684 N N . GLY A 1 7 ? -2.004 21.924 5.925 1.00 0.00 ? 7 GLY A N 6 ATOM 7685 C CA . GLY A 1 7 ? -1.127 21.252 4.984 1.00 0.00 ? 7 GLY A CA 6 ATOM 7686 C C . GLY A 1 7 ? -1.707 21.202 3.584 1.00 0.00 ? 7 GLY A C 6 ATOM 7687 O O . GLY A 1 7 ? -2.288 22.179 3.112 1.00 0.00 ? 7 GLY A O 6 ATOM 7688 H H . GLY A 1 7 ? -2.238 22.866 5.787 1.00 0.00 ? 7 GLY A H 6 ATOM 7689 H HA2 . GLY A 1 7 ? -0.182 21.774 4.953 1.00 0.00 ? 7 GLY A HA2 6 ATOM 7690 H HA3 . GLY A 1 7 ? -0.957 20.241 5.326 1.00 0.00 ? 7 GLY A HA3 6 ATOM 7691 N N . MET A 1 8 ? -1.548 20.063 2.919 1.00 0.00 ? 8 MET A N 6 ATOM 7692 C CA . MET A 1 8 ? -2.061 19.891 1.565 1.00 0.00 ? 8 MET A CA 6 ATOM 7693 C C . MET A 1 8 ? -3.461 19.285 1.586 1.00 0.00 ? 8 MET A C 6 ATOM 7694 O O . MET A 1 8 ? -3.622 18.069 1.493 1.00 0.00 ? 8 MET A O 6 ATOM 7695 C CB . MET A 1 8 ? -1.121 19.002 0.750 1.00 0.00 ? 8 MET A CB 6 ATOM 7696 C CG . MET A 1 8 ? 0.211 19.660 0.428 1.00 0.00 ? 8 MET A CG 6 ATOM 7697 S SD . MET A 1 8 ? 0.135 20.701 -1.042 1.00 0.00 ? 8 MET A SD 6 ATOM 7698 C CE . MET A 1 8 ? 0.561 19.518 -2.317 1.00 0.00 ? 8 MET A CE 6 ATOM 7699 H H . MET A 1 8 ? -1.076 19.319 3.349 1.00 0.00 ? 8 MET A H 6 ATOM 7700 H HA . MET A 1 8 ? -2.110 20.866 1.104 1.00 0.00 ? 8 MET A HA 6 ATOM 7701 H HB2 . MET A 1 8 ? -0.926 18.098 1.307 1.00 0.00 ? 8 MET A HB2 6 ATOM 7702 H HB3 . MET A 1 8 ? -1.604 18.744 -0.181 1.00 0.00 ? 8 MET A HB3 6 ATOM 7703 H HG2 . MET A 1 8 ? 0.509 20.270 1.268 1.00 0.00 ? 8 MET A HG2 6 ATOM 7704 H HG3 . MET A 1 8 ? 0.949 18.887 0.268 1.00 0.00 ? 8 MET A HG3 6 ATOM 7705 H HE1 . MET A 1 8 ? -0.125 19.618 -3.145 1.00 0.00 ? 8 MET A HE1 6 ATOM 7706 H HE2 . MET A 1 8 ? 1.568 19.706 -2.659 1.00 0.00 ? 8 MET A HE2 6 ATOM 7707 H HE3 . MET A 1 8 ? 0.498 18.517 -1.915 1.00 0.00 ? 8 MET A HE3 6 ATOM 7708 N N . GLU A 1 9 ? -4.470 20.142 1.711 1.00 0.00 ? 9 GLU A N 6 ATOM 7709 C CA . GLU A 1 9 ? -5.856 19.689 1.745 1.00 0.00 ? 9 GLU A CA 6 ATOM 7710 C C . GLU A 1 9 ? -6.356 19.360 0.342 1.00 0.00 ? 9 GLU A C 6 ATOM 7711 O O . GLU A 1 9 ? -7.438 19.786 -0.059 1.00 0.00 ? 9 GLU A O 6 ATOM 7712 C CB . GLU A 1 9 ? -6.749 20.758 2.379 1.00 0.00 ? 9 GLU A CB 6 ATOM 7713 C CG . GLU A 1 9 ? -6.753 20.725 3.898 1.00 0.00 ? 9 GLU A CG 6 ATOM 7714 C CD . GLU A 1 9 ? -7.550 21.863 4.505 1.00 0.00 ? 9 GLU A CD 6 ATOM 7715 O OE1 . GLU A 1 9 ? -7.365 23.017 4.063 1.00 0.00 ? 9 GLU A OE1 6 ATOM 7716 O OE2 . GLU A 1 9 ? -8.358 21.601 5.420 1.00 0.00 ? 9 GLU A OE2 6 ATOM 7717 H H . GLU A 1 9 ? -4.278 21.100 1.781 1.00 0.00 ? 9 GLU A H 6 ATOM 7718 H HA . GLU A 1 9 ? -5.897 18.795 2.348 1.00 0.00 ? 9 GLU A HA 6 ATOM 7719 H HB2 . GLU A 1 9 ? -6.406 21.731 2.061 1.00 0.00 ? 9 GLU A HB2 6 ATOM 7720 H HB3 . GLU A 1 9 ? -7.762 20.613 2.035 1.00 0.00 ? 9 GLU A HB3 6 ATOM 7721 H HG2 . GLU A 1 9 ? -7.184 19.790 4.224 1.00 0.00 ? 9 GLU A HG2 6 ATOM 7722 H HG3 . GLU A 1 9 ? -5.733 20.791 4.250 1.00 0.00 ? 9 GLU A HG3 6 ATOM 7723 N N . GLY A 1 10 ? -5.558 18.599 -0.401 1.00 0.00 ? 10 GLY A N 6 ATOM 7724 C CA . GLY A 1 10 ? -5.936 18.226 -1.752 1.00 0.00 ? 10 GLY A CA 6 ATOM 7725 C C . GLY A 1 10 ? -5.452 16.839 -2.127 1.00 0.00 ? 10 GLY A C 6 ATOM 7726 O O . GLY A 1 10 ? -6.230 15.887 -2.206 1.00 0.00 ? 10 GLY A O 6 ATOM 7727 H H . GLY A 1 10 ? -4.706 18.288 -0.029 1.00 0.00 ? 10 GLY A H 6 ATOM 7728 H HA2 . GLY A 1 10 ? -7.012 18.255 -1.834 1.00 0.00 ? 10 GLY A HA2 6 ATOM 7729 H HA3 . GLY A 1 10 ? -5.512 18.940 -2.442 1.00 0.00 ? 10 GLY A HA3 6 ATOM 7730 N N . PRO A 1 11 ? -4.139 16.711 -2.367 1.00 0.00 ? 11 PRO A N 6 ATOM 7731 C CA . PRO A 1 11 ? -3.524 15.434 -2.741 1.00 0.00 ? 11 PRO A CA 6 ATOM 7732 C C . PRO A 1 11 ? -3.509 14.437 -1.587 1.00 0.00 ? 11 PRO A C 6 ATOM 7733 O O . PRO A 1 11 ? -3.674 13.233 -1.791 1.00 0.00 ? 11 PRO A O 6 ATOM 7734 C CB . PRO A 1 11 ? -2.095 15.828 -3.126 1.00 0.00 ? 11 PRO A CB 6 ATOM 7735 C CG . PRO A 1 11 ? -1.834 17.086 -2.373 1.00 0.00 ? 11 PRO A CG 6 ATOM 7736 C CD . PRO A 1 11 ? -3.153 17.802 -2.292 1.00 0.00 ? 11 PRO A CD 6 ATOM 7737 H HA . PRO A 1 11 ? -4.018 14.990 -3.593 1.00 0.00 ? 11 PRO A HA 6 ATOM 7738 H HB2 . PRO A 1 11 ? -1.412 15.042 -2.834 1.00 0.00 ? 11 PRO A HB2 6 ATOM 7739 H HB3 . PRO A 1 11 ? -2.036 15.986 -4.192 1.00 0.00 ? 11 PRO A HB3 6 ATOM 7740 H HG2 . PRO A 1 11 ? -1.472 16.854 -1.383 1.00 0.00 ? 11 PRO A HG2 6 ATOM 7741 H HG3 . PRO A 1 11 ? -1.113 17.689 -2.906 1.00 0.00 ? 11 PRO A HG3 6 ATOM 7742 H HD2 . PRO A 1 11 ? -3.238 18.334 -1.356 1.00 0.00 ? 11 PRO A HD2 6 ATOM 7743 H HD3 . PRO A 1 11 ? -3.266 18.481 -3.125 1.00 0.00 ? 11 PRO A HD3 6 ATOM 7744 N N . LEU A 1 12 ? -3.312 14.945 -0.376 1.00 0.00 ? 12 LEU A N 6 ATOM 7745 C CA . LEU A 1 12 ? -3.277 14.099 0.812 1.00 0.00 ? 12 LEU A CA 6 ATOM 7746 C C . LEU A 1 12 ? -4.471 13.150 0.840 1.00 0.00 ? 12 LEU A C 6 ATOM 7747 O O . LEU A 1 12 ? -4.308 11.935 0.942 1.00 0.00 ? 12 LEU A O 6 ATOM 7748 C CB . LEU A 1 12 ? -3.265 14.960 2.076 1.00 0.00 ? 12 LEU A CB 6 ATOM 7749 C CG . LEU A 1 12 ? -1.903 15.509 2.501 1.00 0.00 ? 12 LEU A CG 6 ATOM 7750 C CD1 . LEU A 1 12 ? -2.064 16.531 3.616 1.00 0.00 ? 12 LEU A CD1 6 ATOM 7751 C CD2 . LEU A 1 12 ? -0.986 14.377 2.942 1.00 0.00 ? 12 LEU A CD2 6 ATOM 7752 H H . LEU A 1 12 ? -3.187 15.911 -0.277 1.00 0.00 ? 12 LEU A H 6 ATOM 7753 H HA . LEU A 1 12 ? -2.369 13.515 0.776 1.00 0.00 ? 12 LEU A HA 6 ATOM 7754 H HB2 . LEU A 1 12 ? -3.922 15.800 1.910 1.00 0.00 ? 12 LEU A HB2 6 ATOM 7755 H HB3 . LEU A 1 12 ? -3.649 14.360 2.888 1.00 0.00 ? 12 LEU A HB3 6 ATOM 7756 H HG . LEU A 1 12 ? -1.442 16.005 1.658 1.00 0.00 ? 12 LEU A HG 6 ATOM 7757 H HD11 . LEU A 1 12 ? -1.155 17.106 3.711 1.00 0.00 ? 12 LEU A HD11 6 ATOM 7758 H HD12 . LEU A 1 12 ? -2.266 16.021 4.546 1.00 0.00 ? 12 LEU A HD12 6 ATOM 7759 H HD13 . LEU A 1 12 ? -2.885 17.192 3.382 1.00 0.00 ? 12 LEU A HD13 6 ATOM 7760 H HD21 . LEU A 1 12 ? -0.720 14.513 3.980 1.00 0.00 ? 12 LEU A HD21 6 ATOM 7761 H HD22 . LEU A 1 12 ? -0.090 14.384 2.337 1.00 0.00 ? 12 LEU A HD22 6 ATOM 7762 H HD23 . LEU A 1 12 ? -1.496 13.433 2.821 1.00 0.00 ? 12 LEU A HD23 6 ATOM 7763 N N . ASN A 1 13 ? -5.670 13.714 0.748 1.00 0.00 ? 13 ASN A N 6 ATOM 7764 C CA . ASN A 1 13 ? -6.893 12.919 0.761 1.00 0.00 ? 13 ASN A CA 6 ATOM 7765 C C . ASN A 1 13 ? -6.807 11.774 -0.243 1.00 0.00 ? 13 ASN A C 6 ATOM 7766 O O . ASN A 1 13 ? -6.934 10.603 0.120 1.00 0.00 ? 13 ASN A O 6 ATOM 7767 C CB . ASN A 1 13 ? -8.103 13.799 0.446 1.00 0.00 ? 13 ASN A CB 6 ATOM 7768 C CG . ASN A 1 13 ? -9.391 13.239 1.018 1.00 0.00 ? 13 ASN A CG 6 ATOM 7769 O OD1 . ASN A 1 13 ? -9.658 12.041 0.918 1.00 0.00 ? 13 ASN A OD1 6 ATOM 7770 N ND2 . ASN A 1 13 ? -10.197 14.105 1.621 1.00 0.00 ? 13 ASN A ND2 6 ATOM 7771 H H . ASN A 1 13 ? -5.736 14.689 0.669 1.00 0.00 ? 13 ASN A H 6 ATOM 7772 H HA . ASN A 1 13 ? -7.008 12.505 1.752 1.00 0.00 ? 13 ASN A HA 6 ATOM 7773 H HB2 . ASN A 1 13 ? -7.944 14.782 0.865 1.00 0.00 ? 13 ASN A HB2 6 ATOM 7774 H HB3 . ASN A 1 13 ? -8.212 13.882 -0.625 1.00 0.00 ? 13 ASN A HB3 6 ATOM 7775 H HD21 . ASN A 1 13 ? -9.920 15.044 1.663 1.00 0.00 ? 13 ASN A HD21 6 ATOM 7776 H HD22 . ASN A 1 13 ? -11.036 13.769 2.000 1.00 0.00 ? 13 ASN A HD22 6 ATOM 7777 N N . LEU A 1 14 ? -6.591 12.119 -1.508 1.00 0.00 ? 14 LEU A N 6 ATOM 7778 C CA . LEU A 1 14 ? -6.487 11.120 -2.566 1.00 0.00 ? 14 LEU A CA 6 ATOM 7779 C C . LEU A 1 14 ? -5.491 10.028 -2.190 1.00 0.00 ? 14 LEU A C 6 ATOM 7780 O O . LEU A 1 14 ? -5.702 8.853 -2.487 1.00 0.00 ? 14 LEU A O 6 ATOM 7781 C CB . LEU A 1 14 ? -6.064 11.782 -3.879 1.00 0.00 ? 14 LEU A CB 6 ATOM 7782 C CG . LEU A 1 14 ? -7.183 12.432 -4.694 1.00 0.00 ? 14 LEU A CG 6 ATOM 7783 C CD1 . LEU A 1 14 ? -6.644 13.606 -5.497 1.00 0.00 ? 14 LEU A CD1 6 ATOM 7784 C CD2 . LEU A 1 14 ? -7.837 11.411 -5.613 1.00 0.00 ? 14 LEU A CD2 6 ATOM 7785 H H . LEU A 1 14 ? -6.498 13.067 -1.736 1.00 0.00 ? 14 LEU A H 6 ATOM 7786 H HA . LEU A 1 14 ? -7.462 10.673 -2.696 1.00 0.00 ? 14 LEU A HA 6 ATOM 7787 H HB2 . LEU A 1 14 ? -5.338 12.545 -3.645 1.00 0.00 ? 14 LEU A HB2 6 ATOM 7788 H HB3 . LEU A 1 14 ? -5.601 11.024 -4.496 1.00 0.00 ? 14 LEU A HB3 6 ATOM 7789 H HG . LEU A 1 14 ? -7.939 12.809 -4.019 1.00 0.00 ? 14 LEU A HG 6 ATOM 7790 H HD11 . LEU A 1 14 ? -6.050 14.239 -4.855 1.00 0.00 ? 14 LEU A HD11 6 ATOM 7791 H HD12 . LEU A 1 14 ? -7.469 14.175 -5.900 1.00 0.00 ? 14 LEU A HD12 6 ATOM 7792 H HD13 . LEU A 1 14 ? -6.032 13.238 -6.307 1.00 0.00 ? 14 LEU A HD13 6 ATOM 7793 H HD21 . LEU A 1 14 ? -8.549 11.908 -6.254 1.00 0.00 ? 14 LEU A HD21 6 ATOM 7794 H HD22 . LEU A 1 14 ? -8.347 10.666 -5.018 1.00 0.00 ? 14 LEU A HD22 6 ATOM 7795 H HD23 . LEU A 1 14 ? -7.080 10.933 -6.217 1.00 0.00 ? 14 LEU A HD23 6 ATOM 7796 N N . ALA A 1 15 ? -4.407 10.425 -1.532 1.00 0.00 ? 15 ALA A N 6 ATOM 7797 C CA . ALA A 1 15 ? -3.380 9.480 -1.110 1.00 0.00 ? 15 ALA A CA 6 ATOM 7798 C C . ALA A 1 15 ? -3.823 8.703 0.124 1.00 0.00 ? 15 ALA A C 6 ATOM 7799 O O . ALA A 1 15 ? -3.330 7.606 0.390 1.00 0.00 ? 15 ALA A O 6 ATOM 7800 C CB . ALA A 1 15 ? -2.073 10.208 -0.837 1.00 0.00 ? 15 ALA A CB 6 ATOM 7801 H H . ALA A 1 15 ? -4.296 11.376 -1.324 1.00 0.00 ? 15 ALA A H 6 ATOM 7802 H HA . ALA A 1 15 ? -3.214 8.785 -1.921 1.00 0.00 ? 15 ALA A HA 6 ATOM 7803 H HB1 . ALA A 1 15 ? -1.817 10.819 -1.690 1.00 0.00 ? 15 ALA A HB1 6 ATOM 7804 H HB2 . ALA A 1 15 ? -2.186 10.836 0.035 1.00 0.00 ? 15 ALA A HB2 6 ATOM 7805 H HB3 . ALA A 1 15 ? -1.289 9.487 -0.662 1.00 0.00 ? 15 ALA A HB3 6 ATOM 7806 N N . HIS A 1 16 ? -4.757 9.277 0.876 1.00 0.00 ? 16 HIS A N 6 ATOM 7807 C CA . HIS A 1 16 ? -5.267 8.637 2.084 1.00 0.00 ? 16 HIS A CA 6 ATOM 7808 C C . HIS A 1 16 ? -6.316 7.584 1.739 1.00 0.00 ? 16 HIS A C 6 ATOM 7809 O O . HIS A 1 16 ? -6.321 6.492 2.307 1.00 0.00 ? 16 HIS A O 6 ATOM 7810 C CB . HIS A 1 16 ? -5.866 9.682 3.026 1.00 0.00 ? 16 HIS A CB 6 ATOM 7811 C CG . HIS A 1 16 ? -4.843 10.409 3.843 1.00 0.00 ? 16 HIS A CG 6 ATOM 7812 N ND1 . HIS A 1 16 ? -5.098 10.897 5.107 1.00 0.00 ? 16 HIS A ND1 6 ATOM 7813 C CD2 . HIS A 1 16 ? -3.556 10.728 3.570 1.00 0.00 ? 16 HIS A CD2 6 ATOM 7814 C CE1 . HIS A 1 16 ? -4.013 11.486 5.576 1.00 0.00 ? 16 HIS A CE1 6 ATOM 7815 N NE2 . HIS A 1 16 ? -3.063 11.398 4.663 1.00 0.00 ? 16 HIS A NE2 6 ATOM 7816 H H . HIS A 1 16 ? -5.112 10.151 0.612 1.00 0.00 ? 16 HIS A H 6 ATOM 7817 H HA . HIS A 1 16 ? -4.438 8.153 2.578 1.00 0.00 ? 16 HIS A HA 6 ATOM 7818 H HB2 . HIS A 1 16 ? -6.406 10.414 2.444 1.00 0.00 ? 16 HIS A HB2 6 ATOM 7819 H HB3 . HIS A 1 16 ? -6.550 9.194 3.706 1.00 0.00 ? 16 HIS A HB3 6 ATOM 7820 H HD1 . HIS A 1 16 ? -5.948 10.823 5.588 1.00 0.00 ? 16 HIS A HD1 6 ATOM 7821 H HD2 . HIS A 1 16 ? -3.017 10.500 2.662 1.00 0.00 ? 16 HIS A HD2 6 ATOM 7822 H HE1 . HIS A 1 16 ? -3.918 11.960 6.542 1.00 0.00 ? 16 HIS A HE1 6 ATOM 7823 H HE2 . HIS A 1 16 ? -2.184 11.827 4.720 1.00 0.00 ? 16 HIS A HE2 6 ATOM 7824 N N . GLN A 1 17 ? -7.202 7.921 0.808 1.00 0.00 ? 17 GLN A N 6 ATOM 7825 C CA . GLN A 1 17 ? -8.256 7.004 0.390 1.00 0.00 ? 17 GLN A CA 6 ATOM 7826 C C . GLN A 1 17 ? -7.665 5.732 -0.210 1.00 0.00 ? 17 GLN A C 6 ATOM 7827 O O . GLN A 1 17 ? -8.280 4.668 -0.159 1.00 0.00 ? 17 GLN A O 6 ATOM 7828 C CB . GLN A 1 17 ? -9.176 7.681 -0.627 1.00 0.00 ? 17 GLN A CB 6 ATOM 7829 C CG . GLN A 1 17 ? -8.487 8.024 -1.938 1.00 0.00 ? 17 GLN A CG 6 ATOM 7830 C CD . GLN A 1 17 ? -9.465 8.437 -3.020 1.00 0.00 ? 17 GLN A CD 6 ATOM 7831 O OE1 . GLN A 1 17 ? -9.723 7.685 -3.960 1.00 0.00 ? 17 GLN A OE1 6 ATOM 7832 N NE2 . GLN A 1 17 ? -10.015 9.639 -2.894 1.00 0.00 ? 17 GLN A NE2 6 ATOM 7833 H H . GLN A 1 17 ? -7.146 8.806 0.393 1.00 0.00 ? 17 GLN A H 6 ATOM 7834 H HA . GLN A 1 17 ? -8.832 6.741 1.264 1.00 0.00 ? 17 GLN A HA 6 ATOM 7835 H HB2 . GLN A 1 17 ? -10.004 7.022 -0.841 1.00 0.00 ? 17 GLN A HB2 6 ATOM 7836 H HB3 . GLN A 1 17 ? -9.557 8.596 -0.196 1.00 0.00 ? 17 GLN A HB3 6 ATOM 7837 H HG2 . GLN A 1 17 ? -7.799 8.838 -1.766 1.00 0.00 ? 17 GLN A HG2 6 ATOM 7838 H HG3 . GLN A 1 17 ? -7.940 7.157 -2.279 1.00 0.00 ? 17 GLN A HG3 6 ATOM 7839 H HE21 . GLN A 1 17 ? -9.760 10.185 -2.120 1.00 0.00 ? 17 GLN A HE21 6 ATOM 7840 H HE22 . GLN A 1 17 ? -10.649 9.932 -3.580 1.00 0.00 ? 17 GLN A HE22 6 ATOM 7841 N N . GLN A 1 18 ? -6.469 5.852 -0.777 1.00 0.00 ? 18 GLN A N 6 ATOM 7842 C CA . GLN A 1 18 ? -5.796 4.711 -1.387 1.00 0.00 ? 18 GLN A CA 6 ATOM 7843 C C . GLN A 1 18 ? -5.243 3.771 -0.321 1.00 0.00 ? 18 GLN A C 6 ATOM 7844 O O . GLN A 1 18 ? -5.374 2.552 -0.426 1.00 0.00 ? 18 GLN A O 6 ATOM 7845 C CB . GLN A 1 18 ? -4.666 5.187 -2.301 1.00 0.00 ? 18 GLN A CB 6 ATOM 7846 C CG . GLN A 1 18 ? -5.154 5.859 -3.574 1.00 0.00 ? 18 GLN A CG 6 ATOM 7847 C CD . GLN A 1 18 ? -5.556 4.862 -4.643 1.00 0.00 ? 18 GLN A CD 6 ATOM 7848 O OE1 . GLN A 1 18 ? -6.741 4.678 -4.922 1.00 0.00 ? 18 GLN A OE1 6 ATOM 7849 N NE2 . GLN A 1 18 ? -4.569 4.213 -5.248 1.00 0.00 ? 18 GLN A NE2 6 ATOM 7850 H H . GLN A 1 18 ? -6.029 6.727 -0.786 1.00 0.00 ? 18 GLN A H 6 ATOM 7851 H HA . GLN A 1 18 ? -6.523 4.175 -1.979 1.00 0.00 ? 18 GLN A HA 6 ATOM 7852 H HB2 . GLN A 1 18 ? -4.054 5.893 -1.759 1.00 0.00 ? 18 GLN A HB2 6 ATOM 7853 H HB3 . GLN A 1 18 ? -4.061 4.337 -2.578 1.00 0.00 ? 18 GLN A HB3 6 ATOM 7854 H HG2 . GLN A 1 18 ? -6.011 6.473 -3.336 1.00 0.00 ? 18 GLN A HG2 6 ATOM 7855 H HG3 . GLN A 1 18 ? -4.363 6.483 -3.963 1.00 0.00 ? 18 GLN A HG3 6 ATOM 7856 H HE21 . GLN A 1 18 ? -3.648 4.410 -4.973 1.00 0.00 ? 18 GLN A HE21 6 ATOM 7857 H HE22 . GLN A 1 18 ? -4.800 3.562 -5.942 1.00 0.00 ? 18 GLN A HE22 6 ATOM 7858 N N . SER A 1 19 ? -4.623 4.347 0.704 1.00 0.00 ? 19 SER A N 6 ATOM 7859 C CA . SER A 1 19 ? -4.045 3.561 1.788 1.00 0.00 ? 19 SER A CA 6 ATOM 7860 C C . SER A 1 19 ? -5.044 2.528 2.302 1.00 0.00 ? 19 SER A C 6 ATOM 7861 O O . SER A 1 19 ? -4.685 1.384 2.577 1.00 0.00 ? 19 SER A O 6 ATOM 7862 C CB . SER A 1 19 ? -3.605 4.476 2.932 1.00 0.00 ? 19 SER A CB 6 ATOM 7863 O OG . SER A 1 19 ? -2.602 3.860 3.721 1.00 0.00 ? 19 SER A OG 6 ATOM 7864 H H . SER A 1 19 ? -4.550 5.324 0.731 1.00 0.00 ? 19 SER A H 6 ATOM 7865 H HA . SER A 1 19 ? -3.181 3.044 1.398 1.00 0.00 ? 19 SER A HA 6 ATOM 7866 H HB2 . SER A 1 19 ? -3.212 5.394 2.524 1.00 0.00 ? 19 SER A HB2 6 ATOM 7867 H HB3 . SER A 1 19 ? -4.456 4.696 3.560 1.00 0.00 ? 19 SER A HB3 6 ATOM 7868 H HG . SER A 1 19 ? -2.071 4.535 4.149 1.00 0.00 ? 19 SER A HG 6 ATOM 7869 N N . ARG A 1 20 ? -6.300 2.943 2.430 1.00 0.00 ? 20 ARG A N 6 ATOM 7870 C CA . ARG A 1 20 ? -7.352 2.056 2.912 1.00 0.00 ? 20 ARG A CA 6 ATOM 7871 C C . ARG A 1 20 ? -7.451 0.806 2.043 1.00 0.00 ? 20 ARG A C 6 ATOM 7872 O O . ARG A 1 20 ? -7.461 -0.316 2.549 1.00 0.00 ? 20 ARG A O 6 ATOM 7873 C CB . ARG A 1 20 ? -8.696 2.786 2.930 1.00 0.00 ? 20 ARG A CB 6 ATOM 7874 C CG . ARG A 1 20 ? -8.809 3.829 4.029 1.00 0.00 ? 20 ARG A CG 6 ATOM 7875 C CD . ARG A 1 20 ? -9.180 3.196 5.361 1.00 0.00 ? 20 ARG A CD 6 ATOM 7876 N NE . ARG A 1 20 ? -9.164 4.167 6.452 1.00 0.00 ? 20 ARG A NE 6 ATOM 7877 C CZ . ARG A 1 20 ? -8.054 4.573 7.058 1.00 0.00 ? 20 ARG A CZ 6 ATOM 7878 N NH1 . ARG A 1 20 ? -6.876 4.095 6.681 1.00 0.00 ? 20 ARG A NH1 6 ATOM 7879 N NH2 . ARG A 1 20 ? -8.120 5.460 8.043 1.00 0.00 ? 20 ARG A NH2 6 ATOM 7880 H H . ARG A 1 20 ? -6.526 3.867 2.195 1.00 0.00 ? 20 ARG A H 6 ATOM 7881 H HA . ARG A 1 20 ? -7.100 1.760 3.920 1.00 0.00 ? 20 ARG A HA 6 ATOM 7882 H HB2 . ARG A 1 20 ? -8.837 3.280 1.980 1.00 0.00 ? 20 ARG A HB2 6 ATOM 7883 H HB3 . ARG A 1 20 ? -9.484 2.061 3.069 1.00 0.00 ? 20 ARG A HB3 6 ATOM 7884 H HG2 . ARG A 1 20 ? -7.859 4.332 4.135 1.00 0.00 ? 20 ARG A HG2 6 ATOM 7885 H HG3 . ARG A 1 20 ? -9.569 4.546 3.756 1.00 0.00 ? 20 ARG A HG3 6 ATOM 7886 H HD2 . ARG A 1 20 ? -10.172 2.776 5.281 1.00 0.00 ? 20 ARG A HD2 6 ATOM 7887 H HD3 . ARG A 1 20 ? -8.473 2.410 5.581 1.00 0.00 ? 20 ARG A HD3 6 ATOM 7888 H HE . ARG A 1 20 ? -10.023 4.534 6.746 1.00 0.00 ? 20 ARG A HE 6 ATOM 7889 H HH11 . ARG A 1 20 ? -6.823 3.427 5.939 1.00 0.00 ? 20 ARG A HH11 6 ATOM 7890 H HH12 . ARG A 1 20 ? -6.041 4.403 7.138 1.00 0.00 ? 20 ARG A HH12 6 ATOM 7891 H HH21 . ARG A 1 20 ? -9.006 5.823 8.330 1.00 0.00 ? 20 ARG A HH21 6 ATOM 7892 H HH22 . ARG A 1 20 ? -7.284 5.765 8.498 1.00 0.00 ? 20 ARG A HH22 6 ATOM 7893 N N . ARG A 1 21 ? -7.524 1.009 0.731 1.00 0.00 ? 21 ARG A N 6 ATOM 7894 C CA . ARG A 1 21 ? -7.624 -0.101 -0.209 1.00 0.00 ? 21 ARG A CA 6 ATOM 7895 C C . ARG A 1 21 ? -6.544 -1.144 0.064 1.00 0.00 ? 21 ARG A C 6 ATOM 7896 O O . ARG A 1 21 ? -6.843 -2.317 0.289 1.00 0.00 ? 21 ARG A O 6 ATOM 7897 C CB . ARG A 1 21 ? -7.504 0.408 -1.647 1.00 0.00 ? 21 ARG A CB 6 ATOM 7898 C CG . ARG A 1 21 ? -7.677 -0.680 -2.694 1.00 0.00 ? 21 ARG A CG 6 ATOM 7899 C CD . ARG A 1 21 ? -6.912 -0.353 -3.967 1.00 0.00 ? 21 ARG A CD 6 ATOM 7900 N NE . ARG A 1 21 ? -6.514 -1.558 -4.691 1.00 0.00 ? 21 ARG A NE 6 ATOM 7901 C CZ . ARG A 1 21 ? -7.338 -2.258 -5.462 1.00 0.00 ? 21 ARG A CZ 6 ATOM 7902 N NH1 . ARG A 1 21 ? -8.599 -1.876 -5.609 1.00 0.00 ? 21 ARG A NH1 6 ATOM 7903 N NH2 . ARG A 1 21 ? -6.902 -3.343 -6.088 1.00 0.00 ? 21 ARG A NH2 6 ATOM 7904 H H . ARG A 1 21 ? -7.512 1.926 0.387 1.00 0.00 ? 21 ARG A H 6 ATOM 7905 H HA . ARG A 1 21 ? -8.593 -0.560 -0.079 1.00 0.00 ? 21 ARG A HA 6 ATOM 7906 H HB2 . ARG A 1 21 ? -8.260 1.161 -1.814 1.00 0.00 ? 21 ARG A HB2 6 ATOM 7907 H HB3 . ARG A 1 21 ? -6.530 0.853 -1.778 1.00 0.00 ? 21 ARG A HB3 6 ATOM 7908 H HG2 . ARG A 1 21 ? -7.308 -1.613 -2.295 1.00 0.00 ? 21 ARG A HG2 6 ATOM 7909 H HG3 . ARG A 1 21 ? -8.726 -0.777 -2.929 1.00 0.00 ? 21 ARG A HG3 6 ATOM 7910 H HD2 . ARG A 1 21 ? -7.543 0.247 -4.606 1.00 0.00 ? 21 ARG A HD2 6 ATOM 7911 H HD3 . ARG A 1 21 ? -6.027 0.208 -3.706 1.00 0.00 ? 21 ARG A HD3 6 ATOM 7912 H HE . ARG A 1 21 ? -5.587 -1.858 -4.596 1.00 0.00 ? 21 ARG A HE 6 ATOM 7913 H HH11 . ARG A 1 21 ? -8.931 -1.058 -5.139 1.00 0.00 ? 21 ARG A HH11 6 ATOM 7914 H HH12 . ARG A 1 21 ? -9.218 -2.404 -6.191 1.00 0.00 ? 21 ARG A HH12 6 ATOM 7915 H HH21 . ARG A 1 21 ? -5.952 -3.635 -5.980 1.00 0.00 ? 21 ARG A HH21 6 ATOM 7916 H HH22 . ARG A 1 21 ? -7.523 -3.870 -6.668 1.00 0.00 ? 21 ARG A HH22 6 ATOM 7917 N N . ALA A 1 22 ? -5.289 -0.708 0.043 1.00 0.00 ? 22 ALA A N 6 ATOM 7918 C CA . ALA A 1 22 ? -4.165 -1.603 0.290 1.00 0.00 ? 22 ALA A CA 6 ATOM 7919 C C . ALA A 1 22 ? -4.395 -2.439 1.544 1.00 0.00 ? 22 ALA A C 6 ATOM 7920 O O . ALA A 1 22 ? -4.146 -3.645 1.552 1.00 0.00 ? 22 ALA A O 6 ATOM 7921 C CB . ALA A 1 22 ? -2.874 -0.807 0.412 1.00 0.00 ? 22 ALA A CB 6 ATOM 7922 H H . ALA A 1 22 ? -5.115 0.238 -0.142 1.00 0.00 ? 22 ALA A H 6 ATOM 7923 H HA . ALA A 1 22 ? -4.073 -2.265 -0.560 1.00 0.00 ? 22 ALA A HA 6 ATOM 7924 H HB1 . ALA A 1 22 ? -2.931 -0.161 1.276 1.00 0.00 ? 22 ALA A HB1 6 ATOM 7925 H HB2 . ALA A 1 22 ? -2.042 -1.487 0.524 1.00 0.00 ? 22 ALA A HB2 6 ATOM 7926 H HB3 . ALA A 1 22 ? -2.735 -0.210 -0.476 1.00 0.00 ? 22 ALA A HB3 6 ATOM 7927 N N . ASP A 1 23 ? -4.869 -1.791 2.602 1.00 0.00 ? 23 ASP A N 6 ATOM 7928 C CA . ASP A 1 23 ? -5.132 -2.476 3.863 1.00 0.00 ? 23 ASP A CA 6 ATOM 7929 C C . ASP A 1 23 ? -6.092 -3.644 3.657 1.00 0.00 ? 23 ASP A C 6 ATOM 7930 O O . ASP A 1 23 ? -5.756 -4.793 3.942 1.00 0.00 ? 23 ASP A O 6 ATOM 7931 C CB . ASP A 1 23 ? -5.711 -1.499 4.887 1.00 0.00 ? 23 ASP A CB 6 ATOM 7932 C CG . ASP A 1 23 ? -4.636 -0.820 5.712 1.00 0.00 ? 23 ASP A CG 6 ATOM 7933 O OD1 . ASP A 1 23 ? -3.600 -0.431 5.133 1.00 0.00 ? 23 ASP A OD1 6 ATOM 7934 O OD2 . ASP A 1 23 ? -4.830 -0.678 6.937 1.00 0.00 ? 23 ASP A OD2 6 ATOM 7935 H H . ASP A 1 23 ? -5.048 -0.830 2.534 1.00 0.00 ? 23 ASP A H 6 ATOM 7936 H HA . ASP A 1 23 ? -4.194 -2.858 4.235 1.00 0.00 ? 23 ASP A HA 6 ATOM 7937 H HB2 . ASP A 1 23 ? -6.275 -0.736 4.369 1.00 0.00 ? 23 ASP A HB2 6 ATOM 7938 H HB3 . ASP A 1 23 ? -6.368 -2.035 5.555 1.00 0.00 ? 23 ASP A HB3 6 ATOM 7939 N N . ARG A 1 24 ? -7.287 -3.341 3.161 1.00 0.00 ? 24 ARG A N 6 ATOM 7940 C CA . ARG A 1 24 ? -8.296 -4.365 2.920 1.00 0.00 ? 24 ARG A CA 6 ATOM 7941 C C . ARG A 1 24 ? -7.746 -5.469 2.021 1.00 0.00 ? 24 ARG A C 6 ATOM 7942 O O . ARG A 1 24 ? -8.186 -6.617 2.089 1.00 0.00 ? 24 ARG A O 6 ATOM 7943 C CB . ARG A 1 24 ? -9.540 -3.745 2.281 1.00 0.00 ? 24 ARG A CB 6 ATOM 7944 C CG . ARG A 1 24 ? -10.170 -2.644 3.119 1.00 0.00 ? 24 ARG A CG 6 ATOM 7945 C CD . ARG A 1 24 ? -11.189 -3.204 4.099 1.00 0.00 ? 24 ARG A CD 6 ATOM 7946 N NE . ARG A 1 24 ? -10.576 -3.587 5.368 1.00 0.00 ? 24 ARG A NE 6 ATOM 7947 C CZ . ARG A 1 24 ? -11.266 -3.809 6.480 1.00 0.00 ? 24 ARG A CZ 6 ATOM 7948 N NH1 . ARG A 1 24 ? -12.586 -3.688 6.481 1.00 0.00 ? 24 ARG A NH1 6 ATOM 7949 N NH2 . ARG A 1 24 ? -10.636 -4.155 7.596 1.00 0.00 ? 24 ARG A NH2 6 ATOM 7950 H H . ARG A 1 24 ? -7.496 -2.406 2.954 1.00 0.00 ? 24 ARG A H 6 ATOM 7951 H HA . ARG A 1 24 ? -8.567 -4.795 3.872 1.00 0.00 ? 24 ARG A HA 6 ATOM 7952 H HB2 . ARG A 1 24 ? -9.269 -3.328 1.323 1.00 0.00 ? 24 ARG A HB2 6 ATOM 7953 H HB3 . ARG A 1 24 ? -10.277 -4.520 2.132 1.00 0.00 ? 24 ARG A HB3 6 ATOM 7954 H HG2 . ARG A 1 24 ? -9.394 -2.138 3.674 1.00 0.00 ? 24 ARG A HG2 6 ATOM 7955 H HG3 . ARG A 1 24 ? -10.662 -1.942 2.462 1.00 0.00 ? 24 ARG A HG3 6 ATOM 7956 H HD2 . ARG A 1 24 ? -11.940 -2.450 4.286 1.00 0.00 ? 24 ARG A HD2 6 ATOM 7957 H HD3 . ARG A 1 24 ? -11.654 -4.072 3.657 1.00 0.00 ? 24 ARG A HD3 6 ATOM 7958 H HE . ARG A 1 24 ? -9.601 -3.682 5.390 1.00 0.00 ? 24 ARG A HE 6 ATOM 7959 H HH11 . ARG A 1 24 ? -13.064 -3.429 5.641 1.00 0.00 ? 24 ARG A HH11 6 ATOM 7960 H HH12 . ARG A 1 24 ? -13.104 -3.857 7.320 1.00 0.00 ? 24 ARG A HH12 6 ATOM 7961 H HH21 . ARG A 1 24 ? -9.641 -4.247 7.599 1.00 0.00 ? 24 ARG A HH21 6 ATOM 7962 H HH22 . ARG A 1 24 ? -11.156 -4.322 8.433 1.00 0.00 ? 24 ARG A HH22 6 ATOM 7963 N N . LEU A 1 25 ? -6.782 -5.113 1.178 1.00 0.00 ? 25 LEU A N 6 ATOM 7964 C CA . LEU A 1 25 ? -6.172 -6.072 0.265 1.00 0.00 ? 25 LEU A CA 6 ATOM 7965 C C . LEU A 1 25 ? -5.178 -6.967 0.999 1.00 0.00 ? 25 LEU A C 6 ATOM 7966 O O . LEU A 1 25 ? -5.116 -8.173 0.757 1.00 0.00 ? 25 LEU A O 6 ATOM 7967 C CB . LEU A 1 25 ? -5.468 -5.340 -0.879 1.00 0.00 ? 25 LEU A CB 6 ATOM 7968 C CG . LEU A 1 25 ? -6.366 -4.852 -2.017 1.00 0.00 ? 25 LEU A CG 6 ATOM 7969 C CD1 . LEU A 1 25 ? -5.625 -3.849 -2.887 1.00 0.00 ? 25 LEU A CD1 6 ATOM 7970 C CD2 . LEU A 1 25 ? -6.856 -6.026 -2.851 1.00 0.00 ? 25 LEU A CD2 6 ATOM 7971 H H . LEU A 1 25 ? -6.473 -4.183 1.170 1.00 0.00 ? 25 LEU A H 6 ATOM 7972 H HA . LEU A 1 25 ? -6.959 -6.688 -0.143 1.00 0.00 ? 25 LEU A HA 6 ATOM 7973 H HB2 . LEU A 1 25 ? -4.966 -4.481 -0.462 1.00 0.00 ? 25 LEU A HB2 6 ATOM 7974 H HB3 . LEU A 1 25 ? -4.735 -6.014 -1.301 1.00 0.00 ? 25 LEU A HB3 6 ATOM 7975 H HG . LEU A 1 25 ? -7.229 -4.355 -1.597 1.00 0.00 ? 25 LEU A HG 6 ATOM 7976 H HD11 . LEU A 1 25 ? -5.748 -2.857 -2.479 1.00 0.00 ? 25 LEU A HD11 6 ATOM 7977 H HD12 . LEU A 1 25 ? -6.027 -3.877 -3.890 1.00 0.00 ? 25 LEU A HD12 6 ATOM 7978 H HD13 . LEU A 1 25 ? -4.575 -4.101 -2.914 1.00 0.00 ? 25 LEU A HD13 6 ATOM 7979 H HD21 . LEU A 1 25 ? -7.320 -5.656 -3.754 1.00 0.00 ? 25 LEU A HD21 6 ATOM 7980 H HD22 . LEU A 1 25 ? -7.577 -6.595 -2.283 1.00 0.00 ? 25 LEU A HD22 6 ATOM 7981 H HD23 . LEU A 1 25 ? -6.020 -6.658 -3.109 1.00 0.00 ? 25 LEU A HD23 6 ATOM 7982 N N . LEU A 1 26 ? -4.404 -6.370 1.898 1.00 0.00 ? 26 LEU A N 6 ATOM 7983 C CA . LEU A 1 26 ? -3.414 -7.113 2.670 1.00 0.00 ? 26 LEU A CA 6 ATOM 7984 C C . LEU A 1 26 ? -4.068 -8.263 3.429 1.00 0.00 ? 26 LEU A C 6 ATOM 7985 O O . LEU A 1 26 ? -3.565 -9.386 3.427 1.00 0.00 ? 26 LEU A O 6 ATOM 7986 C CB . LEU A 1 26 ? -2.699 -6.181 3.649 1.00 0.00 ? 26 LEU A CB 6 ATOM 7987 C CG . LEU A 1 26 ? -2.130 -6.839 4.907 1.00 0.00 ? 26 LEU A CG 6 ATOM 7988 C CD1 . LEU A 1 26 ? -1.015 -7.807 4.546 1.00 0.00 ? 26 LEU A CD1 6 ATOM 7989 C CD2 . LEU A 1 26 ? -1.627 -5.783 5.880 1.00 0.00 ? 26 LEU A CD2 6 ATOM 7990 H H . LEU A 1 26 ? -4.500 -5.406 2.047 1.00 0.00 ? 26 LEU A H 6 ATOM 7991 H HA . LEU A 1 26 ? -2.691 -7.519 1.978 1.00 0.00 ? 26 LEU A HA 6 ATOM 7992 H HB2 . LEU A 1 26 ? -1.881 -5.713 3.123 1.00 0.00 ? 26 LEU A HB2 6 ATOM 7993 H HB3 . LEU A 1 26 ? -3.405 -5.424 3.961 1.00 0.00 ? 26 LEU A HB3 6 ATOM 7994 H HG . LEU A 1 26 ? -2.913 -7.400 5.398 1.00 0.00 ? 26 LEU A HG 6 ATOM 7995 H HD11 . LEU A 1 26 ? -1.338 -8.441 3.734 1.00 0.00 ? 26 LEU A HD11 6 ATOM 7996 H HD12 . LEU A 1 26 ? -0.775 -8.417 5.404 1.00 0.00 ? 26 LEU A HD12 6 ATOM 7997 H HD13 . LEU A 1 26 ? -0.139 -7.252 4.243 1.00 0.00 ? 26 LEU A HD13 6 ATOM 7998 H HD21 . LEU A 1 26 ? -2.397 -5.566 6.606 1.00 0.00 ? 26 LEU A HD21 6 ATOM 7999 H HD22 . LEU A 1 26 ? -1.380 -4.881 5.337 1.00 0.00 ? 26 LEU A HD22 6 ATOM 8000 H HD23 . LEU A 1 26 ? -0.747 -6.150 6.387 1.00 0.00 ? 26 LEU A HD23 6 ATOM 8001 N N . ALA A 1 27 ? -5.192 -7.975 4.076 1.00 0.00 ? 27 ALA A N 6 ATOM 8002 C CA . ALA A 1 27 ? -5.917 -8.986 4.836 1.00 0.00 ? 27 ALA A CA 6 ATOM 8003 C C . ALA A 1 27 ? -6.332 -10.151 3.944 1.00 0.00 ? 27 ALA A C 6 ATOM 8004 O O . ALA A 1 27 ? -6.264 -11.311 4.349 1.00 0.00 ? 27 ALA A O 6 ATOM 8005 C CB . ALA A 1 27 ? -7.137 -8.370 5.504 1.00 0.00 ? 27 ALA A CB 6 ATOM 8006 H H . ALA A 1 27 ? -5.544 -7.061 4.040 1.00 0.00 ? 27 ALA A H 6 ATOM 8007 H HA . ALA A 1 27 ? -5.261 -9.355 5.611 1.00 0.00 ? 27 ALA A HA 6 ATOM 8008 H HB1 . ALA A 1 27 ? -7.386 -7.441 5.011 1.00 0.00 ? 27 ALA A HB1 6 ATOM 8009 H HB2 . ALA A 1 27 ? -7.971 -9.052 5.429 1.00 0.00 ? 27 ALA A HB2 6 ATOM 8010 H HB3 . ALA A 1 27 ? -6.920 -8.179 6.544 1.00 0.00 ? 27 ALA A HB3 6 ATOM 8011 N N . ALA A 1 28 ? -6.762 -9.834 2.727 1.00 0.00 ? 28 ALA A N 6 ATOM 8012 C CA . ALA A 1 28 ? -7.186 -10.855 1.777 1.00 0.00 ? 28 ALA A CA 6 ATOM 8013 C C . ALA A 1 28 ? -5.989 -11.471 1.061 1.00 0.00 ? 28 ALA A C 6 ATOM 8014 O O . ALA A 1 28 ? -6.137 -12.109 0.020 1.00 0.00 ? 28 ALA A O 6 ATOM 8015 C CB . ALA A 1 28 ? -8.160 -10.264 0.768 1.00 0.00 ? 28 ALA A CB 6 ATOM 8016 H H . ALA A 1 28 ? -6.793 -8.891 2.461 1.00 0.00 ? 28 ALA A H 6 ATOM 8017 H HA . ALA A 1 28 ? -7.702 -11.629 2.327 1.00 0.00 ? 28 ALA A HA 6 ATOM 8018 H HB1 . ALA A 1 28 ? -8.755 -9.500 1.247 1.00 0.00 ? 28 ALA A HB1 6 ATOM 8019 H HB2 . ALA A 1 28 ? -7.609 -9.830 -0.053 1.00 0.00 ? 28 ALA A HB2 6 ATOM 8020 H HB3 . ALA A 1 28 ? -8.808 -11.044 0.395 1.00 0.00 ? 28 ALA A HB3 6 ATOM 8021 N N . GLY A 1 29 ? -4.802 -11.274 1.627 1.00 0.00 ? 29 GLY A N 6 ATOM 8022 C CA . GLY A 1 29 ? -3.596 -11.816 1.028 1.00 0.00 ? 29 GLY A CA 6 ATOM 8023 C C . GLY A 1 29 ? -3.341 -11.266 -0.362 1.00 0.00 ? 29 GLY A C 6 ATOM 8024 O O . GLY A 1 29 ? -2.562 -11.833 -1.129 1.00 0.00 ? 29 GLY A O 6 ATOM 8025 H H . GLY A 1 29 ? -4.744 -10.757 2.457 1.00 0.00 ? 29 GLY A H 6 ATOM 8026 H HA2 . GLY A 1 29 ? -2.754 -11.575 1.659 1.00 0.00 ? 29 GLY A HA2 6 ATOM 8027 H HA3 . GLY A 1 29 ? -3.690 -12.890 0.966 1.00 0.00 ? 29 GLY A HA3 6 ATOM 8028 N N . LYS A 1 30 ? -4.000 -10.160 -0.688 1.00 0.00 ? 30 LYS A N 6 ATOM 8029 C CA . LYS A 1 30 ? -3.842 -9.532 -1.995 1.00 0.00 ? 30 LYS A CA 6 ATOM 8030 C C . LYS A 1 30 ? -2.638 -8.596 -2.007 1.00 0.00 ? 30 LYS A C 6 ATOM 8031 O O . LYS A 1 30 ? -2.669 -7.537 -2.635 1.00 0.00 ? 30 LYS A O 6 ATOM 8032 C CB . LYS A 1 30 ? -5.107 -8.757 -2.368 1.00 0.00 ? 30 LYS A CB 6 ATOM 8033 C CG . LYS A 1 30 ? -6.376 -9.589 -2.287 1.00 0.00 ? 30 LYS A CG 6 ATOM 8034 C CD . LYS A 1 30 ? -6.677 -10.276 -3.609 1.00 0.00 ? 30 LYS A CD 6 ATOM 8035 C CE . LYS A 1 30 ? -7.548 -9.407 -4.503 1.00 0.00 ? 30 LYS A CE 6 ATOM 8036 N NZ . LYS A 1 30 ? -7.746 -10.017 -5.847 1.00 0.00 ? 30 LYS A NZ 6 ATOM 8037 H H . LYS A 1 30 ? -4.607 -9.754 -0.034 1.00 0.00 ? 30 LYS A H 6 ATOM 8038 H HA . LYS A 1 30 ? -3.682 -10.314 -2.721 1.00 0.00 ? 30 LYS A HA 6 ATOM 8039 H HB2 . LYS A 1 30 ? -5.210 -7.916 -1.698 1.00 0.00 ? 30 LYS A HB2 6 ATOM 8040 H HB3 . LYS A 1 30 ? -5.006 -8.391 -3.379 1.00 0.00 ? 30 LYS A HB3 6 ATOM 8041 H HG2 . LYS A 1 30 ? -6.254 -10.341 -1.522 1.00 0.00 ? 30 LYS A HG2 6 ATOM 8042 H HG3 . LYS A 1 30 ? -7.203 -8.943 -2.031 1.00 0.00 ? 30 LYS A HG3 6 ATOM 8043 H HD2 . LYS A 1 30 ? -5.747 -10.479 -4.119 1.00 0.00 ? 30 LYS A HD2 6 ATOM 8044 H HD3 . LYS A 1 30 ? -7.192 -11.205 -3.412 1.00 0.00 ? 30 LYS A HD3 6 ATOM 8045 H HE2 . LYS A 1 30 ? -8.510 -9.278 -4.031 1.00 0.00 ? 30 LYS A HE2 6 ATOM 8046 H HE3 . LYS A 1 30 ? -7.073 -8.444 -4.621 1.00 0.00 ? 30 LYS A HE3 6 ATOM 8047 H HZ1 . LYS A 1 30 ? -7.110 -9.571 -6.539 1.00 0.00 ? 30 LYS A HZ1 6 ATOM 8048 H HZ2 . LYS A 1 30 ? -8.729 -9.883 -6.159 1.00 0.00 ? 30 LYS A HZ2 6 ATOM 8049 H HZ3 . LYS A 1 30 ? -7.542 -11.036 -5.810 1.00 0.00 ? 30 LYS A HZ3 6 ATOM 8050 N N . TYR A 1 31 ? -1.578 -8.993 -1.311 1.00 0.00 ? 31 TYR A N 6 ATOM 8051 C CA . TYR A 1 31 ? -0.364 -8.189 -1.242 1.00 0.00 ? 31 TYR A CA 6 ATOM 8052 C C . TYR A 1 31 ? -0.111 -7.468 -2.562 1.00 0.00 ? 31 TYR A C 6 ATOM 8053 O O . TYR A 1 31 ? -0.288 -6.254 -2.662 1.00 0.00 ? 31 TYR A O 6 ATOM 8054 C CB . TYR A 1 31 ? 0.837 -9.069 -0.891 1.00 0.00 ? 31 TYR A CB 6 ATOM 8055 C CG . TYR A 1 31 ? 0.625 -9.918 0.343 1.00 0.00 ? 31 TYR A CG 6 ATOM 8056 C CD1 . TYR A 1 31 ? 0.682 -9.359 1.613 1.00 0.00 ? 31 TYR A CD1 6 ATOM 8057 C CD2 . TYR A 1 31 ? 0.370 -11.280 0.238 1.00 0.00 ? 31 TYR A CD2 6 ATOM 8058 C CE1 . TYR A 1 31 ? 0.490 -10.130 2.743 1.00 0.00 ? 31 TYR A CE1 6 ATOM 8059 C CE2 . TYR A 1 31 ? 0.175 -12.059 1.362 1.00 0.00 ? 31 TYR A CE2 6 ATOM 8060 C CZ . TYR A 1 31 ? 0.236 -11.480 2.612 1.00 0.00 ? 31 TYR A CZ 6 ATOM 8061 O OH . TYR A 1 31 ? 0.045 -12.253 3.734 1.00 0.00 ? 31 TYR A OH 6 ATOM 8062 H H . TYR A 1 31 ? -1.613 -9.847 -0.832 1.00 0.00 ? 31 TYR A H 6 ATOM 8063 H HA . TYR A 1 31 ? -0.498 -7.453 -0.463 1.00 0.00 ? 31 TYR A HA 6 ATOM 8064 H HB2 . TYR A 1 31 ? 1.043 -9.732 -1.717 1.00 0.00 ? 31 TYR A HB2 6 ATOM 8065 H HB3 . TYR A 1 31 ? 1.697 -8.440 -0.717 1.00 0.00 ? 31 TYR A HB3 6 ATOM 8066 H HD1 . TYR A 1 31 ? 0.881 -8.301 1.712 1.00 0.00 ? 31 TYR A HD1 6 ATOM 8067 H HD2 . TYR A 1 31 ? 0.323 -11.731 -0.743 1.00 0.00 ? 31 TYR A HD2 6 ATOM 8068 H HE1 . TYR A 1 31 ? 0.538 -9.677 3.722 1.00 0.00 ? 31 TYR A HE1 6 ATOM 8069 H HE2 . TYR A 1 31 ? -0.023 -13.116 1.259 1.00 0.00 ? 31 TYR A HE2 6 ATOM 8070 H HH . TYR A 1 31 ? -0.820 -12.668 3.692 1.00 0.00 ? 31 TYR A HH 6 ATOM 8071 N N . GLU A 1 32 ? 0.302 -8.226 -3.573 1.00 0.00 ? 32 GLU A N 6 ATOM 8072 C CA . GLU A 1 32 ? 0.579 -7.660 -4.888 1.00 0.00 ? 32 GLU A CA 6 ATOM 8073 C C . GLU A 1 32 ? -0.393 -6.528 -5.209 1.00 0.00 ? 32 GLU A C 6 ATOM 8074 O O . GLU A 1 32 ? 0.020 -5.424 -5.565 1.00 0.00 ? 32 GLU A O 6 ATOM 8075 C CB . GLU A 1 32 ? 0.489 -8.744 -5.964 1.00 0.00 ? 32 GLU A CB 6 ATOM 8076 C CG . GLU A 1 32 ? 0.822 -8.245 -7.360 1.00 0.00 ? 32 GLU A CG 6 ATOM 8077 C CD . GLU A 1 32 ? 0.246 -9.130 -8.449 1.00 0.00 ? 32 GLU A CD 6 ATOM 8078 O OE1 . GLU A 1 32 ? -0.122 -10.283 -8.144 1.00 0.00 ? 32 GLU A OE1 6 ATOM 8079 O OE2 . GLU A 1 32 ? 0.162 -8.667 -9.606 1.00 0.00 ? 32 GLU A OE2 6 ATOM 8080 H H . GLU A 1 32 ? 0.424 -9.188 -3.431 1.00 0.00 ? 32 GLU A H 6 ATOM 8081 H HA . GLU A 1 32 ? 1.583 -7.263 -4.874 1.00 0.00 ? 32 GLU A HA 6 ATOM 8082 H HB2 . GLU A 1 32 ? 1.175 -9.540 -5.715 1.00 0.00 ? 32 GLU A HB2 6 ATOM 8083 H HB3 . GLU A 1 32 ? -0.517 -9.139 -5.976 1.00 0.00 ? 32 GLU A HB3 6 ATOM 8084 H HG2 . GLU A 1 32 ? 0.422 -7.249 -7.478 1.00 0.00 ? 32 GLU A HG2 6 ATOM 8085 H HG3 . GLU A 1 32 ? 1.896 -8.216 -7.471 1.00 0.00 ? 32 GLU A HG3 6 ATOM 8086 N N . GLU A 1 33 ? -1.685 -6.810 -5.080 1.00 0.00 ? 33 GLU A N 6 ATOM 8087 C CA . GLU A 1 33 ? -2.715 -5.816 -5.357 1.00 0.00 ? 33 GLU A CA 6 ATOM 8088 C C . GLU A 1 33 ? -2.500 -4.561 -4.517 1.00 0.00 ? 33 GLU A C 6 ATOM 8089 O O . GLU A 1 33 ? -2.610 -3.441 -5.016 1.00 0.00 ? 33 GLU A O 6 ATOM 8090 C CB . GLU A 1 33 ? -4.104 -6.397 -5.079 1.00 0.00 ? 33 GLU A CB 6 ATOM 8091 C CG . GLU A 1 33 ? -4.450 -7.591 -5.952 1.00 0.00 ? 33 GLU A CG 6 ATOM 8092 C CD . GLU A 1 33 ? -4.714 -7.202 -7.394 1.00 0.00 ? 33 GLU A CD 6 ATOM 8093 O OE1 . GLU A 1 33 ? -3.812 -6.613 -8.025 1.00 0.00 ? 33 GLU A OE1 6 ATOM 8094 O OE2 . GLU A 1 33 ? -5.823 -7.489 -7.892 1.00 0.00 ? 33 GLU A OE2 6 ATOM 8095 H H . GLU A 1 33 ? -1.952 -7.708 -4.792 1.00 0.00 ? 33 GLU A H 6 ATOM 8096 H HA . GLU A 1 33 ? -2.649 -5.552 -6.401 1.00 0.00 ? 33 GLU A HA 6 ATOM 8097 H HB2 . GLU A 1 33 ? -4.151 -6.707 -4.045 1.00 0.00 ? 33 GLU A HB2 6 ATOM 8098 H HB3 . GLU A 1 33 ? -4.842 -5.627 -5.248 1.00 0.00 ? 33 GLU A HB3 6 ATOM 8099 H HG2 . GLU A 1 33 ? -3.627 -8.289 -5.929 1.00 0.00 ? 33 GLU A HG2 6 ATOM 8100 H HG3 . GLU A 1 33 ? -5.335 -8.066 -5.555 1.00 0.00 ? 33 GLU A HG3 6 ATOM 8101 N N . ALA A 1 34 ? -2.191 -4.756 -3.240 1.00 0.00 ? 34 ALA A N 6 ATOM 8102 C CA . ALA A 1 34 ? -1.959 -3.640 -2.331 1.00 0.00 ? 34 ALA A CA 6 ATOM 8103 C C . ALA A 1 34 ? -0.698 -2.874 -2.714 1.00 0.00 ? 34 ALA A C 6 ATOM 8104 O O . ALA A 1 34 ? -0.717 -1.648 -2.831 1.00 0.00 ? 34 ALA A O 6 ATOM 8105 C CB . ALA A 1 34 ? -1.859 -4.140 -0.897 1.00 0.00 ? 34 ALA A CB 6 ATOM 8106 H H . ALA A 1 34 ? -2.118 -5.672 -2.900 1.00 0.00 ? 34 ALA A H 6 ATOM 8107 H HA . ALA A 1 34 ? -2.807 -2.974 -2.396 1.00 0.00 ? 34 ALA A HA 6 ATOM 8108 H HB1 . ALA A 1 34 ? -2.016 -5.209 -0.877 1.00 0.00 ? 34 ALA A HB1 6 ATOM 8109 H HB2 . ALA A 1 34 ? -0.880 -3.911 -0.503 1.00 0.00 ? 34 ALA A HB2 6 ATOM 8110 H HB3 . ALA A 1 34 ? -2.612 -3.655 -0.294 1.00 0.00 ? 34 ALA A HB3 6 ATOM 8111 N N . ILE A 1 35 ? 0.396 -3.602 -2.909 1.00 0.00 ? 35 ILE A N 6 ATOM 8112 C CA . ILE A 1 35 ? 1.666 -2.990 -3.280 1.00 0.00 ? 35 ILE A CA 6 ATOM 8113 C C . ILE A 1 35 ? 1.454 -1.823 -4.239 1.00 0.00 ? 35 ILE A C 6 ATOM 8114 O O . ILE A 1 35 ? 1.730 -0.672 -3.903 1.00 0.00 ? 35 ILE A O 6 ATOM 8115 C CB . ILE A 1 35 ? 2.614 -4.012 -3.933 1.00 0.00 ? 35 ILE A CB 6 ATOM 8116 C CG1 . ILE A 1 35 ? 2.935 -5.142 -2.953 1.00 0.00 ? 35 ILE A CG1 6 ATOM 8117 C CG2 . ILE A 1 35 ? 3.891 -3.327 -4.398 1.00 0.00 ? 35 ILE A CG2 6 ATOM 8118 C CD1 . ILE A 1 35 ? 3.674 -6.300 -3.587 1.00 0.00 ? 35 ILE A CD1 6 ATOM 8119 H H . ILE A 1 35 ? 0.348 -4.575 -2.801 1.00 0.00 ? 35 ILE A H 6 ATOM 8120 H HA . ILE A 1 35 ? 2.133 -2.620 -2.378 1.00 0.00 ? 35 ILE A HA 6 ATOM 8121 H HB . ILE A 1 35 ? 2.121 -4.425 -4.799 1.00 0.00 ? 35 ILE A HB 6 ATOM 8122 H HG12 . ILE A 1 35 ? 3.550 -4.754 -2.155 1.00 0.00 ? 35 ILE A HG12 6 ATOM 8123 H HG13 . ILE A 1 35 ? 2.013 -5.522 -2.539 1.00 0.00 ? 35 ILE A HG13 6 ATOM 8124 H HG21 . ILE A 1 35 ? 4.405 -3.964 -5.103 1.00 0.00 ? 35 ILE A HG21 6 ATOM 8125 H HG22 . ILE A 1 35 ? 3.644 -2.390 -4.874 1.00 0.00 ? 35 ILE A HG22 6 ATOM 8126 H HG23 . ILE A 1 35 ? 4.531 -3.143 -3.548 1.00 0.00 ? 35 ILE A HG23 6 ATOM 8127 H HD11 . ILE A 1 35 ? 3.803 -6.111 -4.642 1.00 0.00 ? 35 ILE A HD11 6 ATOM 8128 H HD12 . ILE A 1 35 ? 4.640 -6.411 -3.119 1.00 0.00 ? 35 ILE A HD12 6 ATOM 8129 H HD13 . ILE A 1 35 ? 3.103 -7.207 -3.452 1.00 0.00 ? 35 ILE A HD13 6 ATOM 8130 N N . SER A 1 36 ? 0.960 -2.130 -5.435 1.00 0.00 ? 36 SER A N 6 ATOM 8131 C CA . SER A 1 36 ? 0.712 -1.108 -6.445 1.00 0.00 ? 36 SER A CA 6 ATOM 8132 C C . SER A 1 36 ? 0.098 0.139 -5.816 1.00 0.00 ? 36 SER A C 6 ATOM 8133 O O . SER A 1 36 ? 0.599 1.250 -5.996 1.00 0.00 ? 36 SER A O 6 ATOM 8134 C CB . SER A 1 36 ? -0.212 -1.652 -7.535 1.00 0.00 ? 36 SER A CB 6 ATOM 8135 O OG . SER A 1 36 ? -1.377 -2.233 -6.974 1.00 0.00 ? 36 SER A OG 6 ATOM 8136 H H . SER A 1 36 ? 0.760 -3.067 -5.643 1.00 0.00 ? 36 SER A H 6 ATOM 8137 H HA . SER A 1 36 ? 1.661 -0.843 -6.888 1.00 0.00 ? 36 SER A HA 6 ATOM 8138 H HB2 . SER A 1 36 ? -0.506 -0.845 -8.189 1.00 0.00 ? 36 SER A HB2 6 ATOM 8139 H HB3 . SER A 1 36 ? 0.313 -2.405 -8.105 1.00 0.00 ? 36 SER A HB3 6 ATOM 8140 H HG . SER A 1 36 ? -1.906 -2.627 -7.671 1.00 0.00 ? 36 SER A HG 6 ATOM 8141 N N . CYS A 1 37 ? -0.991 -0.053 -5.079 1.00 0.00 ? 37 CYS A N 6 ATOM 8142 C CA . CYS A 1 37 ? -1.676 1.055 -4.424 1.00 0.00 ? 37 CYS A CA 6 ATOM 8143 C C . CYS A 1 37 ? -0.684 1.946 -3.683 1.00 0.00 ? 37 CYS A C 6 ATOM 8144 O O . CYS A 1 37 ? -0.780 3.173 -3.729 1.00 0.00 ? 37 CYS A O 6 ATOM 8145 C CB . CYS A 1 37 ? -2.730 0.526 -3.450 1.00 0.00 ? 37 CYS A CB 6 ATOM 8146 S SG . CYS A 1 37 ? -3.981 1.745 -2.983 1.00 0.00 ? 37 CYS A SG 6 ATOM 8147 H H . CYS A 1 37 ? -1.342 -0.962 -4.973 1.00 0.00 ? 37 CYS A H 6 ATOM 8148 H HA . CYS A 1 37 ? -2.165 1.640 -5.188 1.00 0.00 ? 37 CYS A HA 6 ATOM 8149 H HB2 . CYS A 1 37 ? -3.241 -0.310 -3.904 1.00 0.00 ? 37 CYS A HB2 6 ATOM 8150 H HB3 . CYS A 1 37 ? -2.240 0.193 -2.547 1.00 0.00 ? 37 CYS A HB3 6 ATOM 8151 H HG . CYS A 1 37 ? -3.609 2.293 -1.836 1.00 0.00 ? 37 CYS A HG 6 ATOM 8152 N N . HIS A 1 38 ? 0.269 1.321 -2.999 1.00 0.00 ? 38 HIS A N 6 ATOM 8153 C CA . HIS A 1 38 ? 1.279 2.057 -2.247 1.00 0.00 ? 38 HIS A CA 6 ATOM 8154 C C . HIS A 1 38 ? 2.212 2.813 -3.187 1.00 0.00 ? 38 HIS A C 6 ATOM 8155 O O . HIS A 1 38 ? 2.571 3.963 -2.929 1.00 0.00 ? 38 HIS A O 6 ATOM 8156 C CB . HIS A 1 38 ? 2.086 1.103 -1.366 1.00 0.00 ? 38 HIS A CB 6 ATOM 8157 C CG . HIS A 1 38 ? 1.384 0.715 -0.102 1.00 0.00 ? 38 HIS A CG 6 ATOM 8158 N ND1 . HIS A 1 38 ? 0.720 1.621 0.698 1.00 0.00 ? 38 HIS A ND1 6 ATOM 8159 C CD2 . HIS A 1 38 ? 1.243 -0.489 0.500 1.00 0.00 ? 38 HIS A CD2 6 ATOM 8160 C CE1 . HIS A 1 38 ? 0.202 0.991 1.738 1.00 0.00 ? 38 HIS A CE1 6 ATOM 8161 N NE2 . HIS A 1 38 ? 0.505 -0.291 1.641 1.00 0.00 ? 38 HIS A NE2 6 ATOM 8162 H H . HIS A 1 38 ? 0.294 0.341 -3.000 1.00 0.00 ? 38 HIS A H 6 ATOM 8163 H HA . HIS A 1 38 ? 0.769 2.770 -1.616 1.00 0.00 ? 38 HIS A HA 6 ATOM 8164 H HB2 . HIS A 1 38 ? 2.292 0.199 -1.921 1.00 0.00 ? 38 HIS A HB2 6 ATOM 8165 H HB3 . HIS A 1 38 ? 3.020 1.574 -1.097 1.00 0.00 ? 38 HIS A HB3 6 ATOM 8166 H HD1 . HIS A 1 38 ? 0.641 2.583 0.530 1.00 0.00 ? 38 HIS A HD1 6 ATOM 8167 H HD2 . HIS A 1 38 ? 1.638 -1.432 0.148 1.00 0.00 ? 38 HIS A HD2 6 ATOM 8168 H HE1 . HIS A 1 38 ? -0.371 1.446 2.531 1.00 0.00 ? 38 HIS A HE1 6 ATOM 8169 H HE2 . HIS A 1 38 ? 0.318 -0.968 2.324 1.00 0.00 ? 38 HIS A HE2 6 ATOM 8170 N N . ARG A 1 39 ? 2.603 2.161 -4.277 1.00 0.00 ? 39 ARG A N 6 ATOM 8171 C CA . ARG A 1 39 ? 3.496 2.771 -5.254 1.00 0.00 ? 39 ARG A CA 6 ATOM 8172 C C . ARG A 1 39 ? 2.839 3.983 -5.909 1.00 0.00 ? 39 ARG A C 6 ATOM 8173 O O . ARG A 1 39 ? 3.461 5.035 -6.056 1.00 0.00 ? 39 ARG A O 6 ATOM 8174 C CB . ARG A 1 39 ? 3.889 1.751 -6.324 1.00 0.00 ? 39 ARG A CB 6 ATOM 8175 C CG . ARG A 1 39 ? 4.635 0.547 -5.773 1.00 0.00 ? 39 ARG A CG 6 ATOM 8176 C CD . ARG A 1 39 ? 5.199 -0.318 -6.889 1.00 0.00 ? 39 ARG A CD 6 ATOM 8177 N NE . ARG A 1 39 ? 6.540 0.105 -7.285 1.00 0.00 ? 39 ARG A NE 6 ATOM 8178 C CZ . ARG A 1 39 ? 7.626 -0.115 -6.553 1.00 0.00 ? 39 ARG A CZ 6 ATOM 8179 N NH1 . ARG A 1 39 ? 7.531 -0.752 -5.394 1.00 0.00 ? 39 ARG A NH1 6 ATOM 8180 N NH2 . ARG A 1 39 ? 8.812 0.301 -6.981 1.00 0.00 ? 39 ARG A NH2 6 ATOM 8181 H H . ARG A 1 39 ? 2.283 1.246 -4.427 1.00 0.00 ? 39 ARG A H 6 ATOM 8182 H HA . ARG A 1 39 ? 4.385 3.095 -4.734 1.00 0.00 ? 39 ARG A HA 6 ATOM 8183 H HB2 . ARG A 1 39 ? 2.994 1.398 -6.815 1.00 0.00 ? 39 ARG A HB2 6 ATOM 8184 H HB3 . ARG A 1 39 ? 4.522 2.236 -7.052 1.00 0.00 ? 39 ARG A HB3 6 ATOM 8185 H HG2 . ARG A 1 39 ? 5.450 0.892 -5.153 1.00 0.00 ? 39 ARG A HG2 6 ATOM 8186 H HG3 . ARG A 1 39 ? 3.955 -0.045 -5.179 1.00 0.00 ? 39 ARG A HG3 6 ATOM 8187 H HD2 . ARG A 1 39 ? 5.242 -1.341 -6.547 1.00 0.00 ? 39 ARG A HD2 6 ATOM 8188 H HD3 . ARG A 1 39 ? 4.543 -0.252 -7.744 1.00 0.00 ? 39 ARG A HD3 6 ATOM 8189 H HE . ARG A 1 39 ? 6.633 0.577 -8.138 1.00 0.00 ? 39 ARG A HE 6 ATOM 8190 H HH11 . ARG A 1 39 ? 6.639 -1.067 -5.070 1.00 0.00 ? 39 ARG A HH11 6 ATOM 8191 H HH12 . ARG A 1 39 ? 8.351 -0.917 -4.845 1.00 0.00 ? 39 ARG A HH12 6 ATOM 8192 H HH21 . ARG A 1 39 ? 8.888 0.780 -7.854 1.00 0.00 ? 39 ARG A HH21 6 ATOM 8193 H HH22 . ARG A 1 39 ? 9.628 0.134 -6.429 1.00 0.00 ? 39 ARG A HH22 6 ATOM 8194 N N . LYS A 1 40 ? 1.579 3.827 -6.299 1.00 0.00 ? 40 LYS A N 6 ATOM 8195 C CA . LYS A 1 40 ? 0.836 4.908 -6.937 1.00 0.00 ? 40 LYS A CA 6 ATOM 8196 C C . LYS A 1 40 ? 0.776 6.135 -6.033 1.00 0.00 ? 40 LYS A C 6 ATOM 8197 O O . LYS A 1 40 ? 1.013 7.257 -6.478 1.00 0.00 ? 40 LYS A O 6 ATOM 8198 C CB . LYS A 1 40 ? -0.581 4.445 -7.283 1.00 0.00 ? 40 LYS A CB 6 ATOM 8199 C CG . LYS A 1 40 ? -0.663 3.647 -8.573 1.00 0.00 ? 40 LYS A CG 6 ATOM 8200 C CD . LYS A 1 40 ? -1.871 2.726 -8.583 1.00 0.00 ? 40 LYS A CD 6 ATOM 8201 C CE . LYS A 1 40 ? -1.867 1.815 -9.801 1.00 0.00 ? 40 LYS A CE 6 ATOM 8202 N NZ . LYS A 1 40 ? -2.209 2.553 -11.048 1.00 0.00 ? 40 LYS A NZ 6 ATOM 8203 H H . LYS A 1 40 ? 1.137 2.964 -6.154 1.00 0.00 ? 40 LYS A H 6 ATOM 8204 H HA . LYS A 1 40 ? 1.352 5.172 -7.848 1.00 0.00 ? 40 LYS A HA 6 ATOM 8205 H HB2 . LYS A 1 40 ? -0.952 3.828 -6.478 1.00 0.00 ? 40 LYS A HB2 6 ATOM 8206 H HB3 . LYS A 1 40 ? -1.216 5.314 -7.381 1.00 0.00 ? 40 LYS A HB3 6 ATOM 8207 H HG2 . LYS A 1 40 ? -0.738 4.331 -9.405 1.00 0.00 ? 40 LYS A HG2 6 ATOM 8208 H HG3 . LYS A 1 40 ? 0.234 3.052 -8.674 1.00 0.00 ? 40 LYS A HG3 6 ATOM 8209 H HD2 . LYS A 1 40 ? -1.856 2.117 -7.691 1.00 0.00 ? 40 LYS A HD2 6 ATOM 8210 H HD3 . LYS A 1 40 ? -2.770 3.326 -8.596 1.00 0.00 ? 40 LYS A HD3 6 ATOM 8211 H HE2 . LYS A 1 40 ? -0.884 1.382 -9.907 1.00 0.00 ? 40 LYS A HE2 6 ATOM 8212 H HE3 . LYS A 1 40 ? -2.592 1.029 -9.648 1.00 0.00 ? 40 LYS A HE3 6 ATOM 8213 H HZ1 . LYS A 1 40 ? -2.638 1.906 -11.739 1.00 0.00 ? 40 LYS A HZ1 6 ATOM 8214 H HZ2 . LYS A 1 40 ? -1.351 2.968 -11.464 1.00 0.00 ? 40 LYS A HZ2 6 ATOM 8215 H HZ3 . LYS A 1 40 ? -2.883 3.317 -10.838 1.00 0.00 ? 40 LYS A HZ3 6 ATOM 8216 N N . ALA A 1 41 ? 0.459 5.912 -4.762 1.00 0.00 ? 41 ALA A N 6 ATOM 8217 C CA . ALA A 1 41 ? 0.371 6.999 -3.795 1.00 0.00 ? 41 ALA A CA 6 ATOM 8218 C C . ALA A 1 41 ? 1.703 7.729 -3.667 1.00 0.00 ? 41 ALA A C 6 ATOM 8219 O O . ALA A 1 41 ? 1.785 8.938 -3.890 1.00 0.00 ? 41 ALA A O 6 ATOM 8220 C CB . ALA A 1 41 ? -0.073 6.465 -2.440 1.00 0.00 ? 41 ALA A CB 6 ATOM 8221 H H . ALA A 1 41 ? 0.281 4.994 -4.467 1.00 0.00 ? 41 ALA A H 6 ATOM 8222 H HA . ALA A 1 41 ? -0.379 7.695 -4.142 1.00 0.00 ? 41 ALA A HA 6 ATOM 8223 H HB1 . ALA A 1 41 ? -0.002 7.253 -1.704 1.00 0.00 ? 41 ALA A HB1 6 ATOM 8224 H HB2 . ALA A 1 41 ? -1.095 6.124 -2.505 1.00 0.00 ? 41 ALA A HB2 6 ATOM 8225 H HB3 . ALA A 1 41 ? 0.565 5.643 -2.151 1.00 0.00 ? 41 ALA A HB3 6 ATOM 8226 N N . THR A 1 42 ? 2.747 6.989 -3.307 1.00 0.00 ? 42 THR A N 6 ATOM 8227 C CA . THR A 1 42 ? 4.075 7.566 -3.148 1.00 0.00 ? 42 THR A CA 6 ATOM 8228 C C . THR A 1 42 ? 4.415 8.493 -4.310 1.00 0.00 ? 42 THR A C 6 ATOM 8229 O O . THR A 1 42 ? 4.815 9.640 -4.108 1.00 0.00 ? 42 THR A O 6 ATOM 8230 C CB . THR A 1 42 ? 5.155 6.473 -3.046 1.00 0.00 ? 42 THR A CB 6 ATOM 8231 O OG1 . THR A 1 42 ? 5.080 5.603 -4.181 1.00 0.00 ? 42 THR A OG1 6 ATOM 8232 C CG2 . THR A 1 42 ? 4.987 5.663 -1.769 1.00 0.00 ? 42 THR A CG2 6 ATOM 8233 H H . THR A 1 42 ? 2.619 6.031 -3.144 1.00 0.00 ? 42 THR A H 6 ATOM 8234 H HA . THR A 1 42 ? 4.083 8.137 -2.231 1.00 0.00 ? 42 THR A HA 6 ATOM 8235 H HB . THR A 1 42 ? 6.126 6.947 -3.029 1.00 0.00 ? 42 THR A HB 6 ATOM 8236 H HG1 . THR A 1 42 ? 5.474 6.036 -4.943 1.00 0.00 ? 42 THR A HG1 6 ATOM 8237 H HG21 . THR A 1 42 ? 5.087 4.612 -1.993 1.00 0.00 ? 42 THR A HG21 6 ATOM 8238 H HG22 . THR A 1 42 ? 4.009 5.851 -1.350 1.00 0.00 ? 42 THR A HG22 6 ATOM 8239 H HG23 . THR A 1 42 ? 5.745 5.953 -1.058 1.00 0.00 ? 42 THR A HG23 6 ATOM 8240 N N . THR A 1 43 ? 4.252 7.989 -5.530 1.00 0.00 ? 43 THR A N 6 ATOM 8241 C CA . THR A 1 43 ? 4.541 8.771 -6.725 1.00 0.00 ? 43 THR A CA 6 ATOM 8242 C C . THR A 1 43 ? 3.716 10.052 -6.757 1.00 0.00 ? 43 THR A C 6 ATOM 8243 O O . THR A 1 43 ? 4.258 11.149 -6.898 1.00 0.00 ? 43 THR A O 6 ATOM 8244 C CB . THR A 1 43 ? 4.264 7.963 -8.006 1.00 0.00 ? 43 THR A CB 6 ATOM 8245 O OG1 . THR A 1 43 ? 5.032 6.755 -7.999 1.00 0.00 ? 43 THR A OG1 6 ATOM 8246 C CG2 . THR A 1 43 ? 4.603 8.778 -9.245 1.00 0.00 ? 43 THR A CG2 6 ATOM 8247 H H . THR A 1 43 ? 3.929 7.069 -5.626 1.00 0.00 ? 43 THR A H 6 ATOM 8248 H HA . THR A 1 43 ? 5.590 9.031 -6.708 1.00 0.00 ? 43 THR A HA 6 ATOM 8249 H HB . THR A 1 43 ? 3.213 7.712 -8.035 1.00 0.00 ? 43 THR A HB 6 ATOM 8250 H HG1 . THR A 1 43 ? 5.879 6.911 -8.424 1.00 0.00 ? 43 THR A HG1 6 ATOM 8251 H HG21 . THR A 1 43 ? 4.986 8.124 -10.014 1.00 0.00 ? 43 THR A HG21 6 ATOM 8252 H HG22 . THR A 1 43 ? 5.351 9.517 -8.996 1.00 0.00 ? 43 THR A HG22 6 ATOM 8253 H HG23 . THR A 1 43 ? 3.714 9.274 -9.604 1.00 0.00 ? 43 THR A HG23 6 ATOM 8254 N N . TYR A 1 44 ? 2.402 9.907 -6.624 1.00 0.00 ? 44 TYR A N 6 ATOM 8255 C CA . TYR A 1 44 ? 1.501 11.053 -6.640 1.00 0.00 ? 44 TYR A CA 6 ATOM 8256 C C . TYR A 1 44 ? 1.954 12.116 -5.643 1.00 0.00 ? 44 TYR A C 6 ATOM 8257 O O . TYR A 1 44 ? 1.954 13.310 -5.947 1.00 0.00 ? 44 TYR A O 6 ATOM 8258 C CB . TYR A 1 44 ? 0.073 10.611 -6.316 1.00 0.00 ? 44 TYR A CB 6 ATOM 8259 C CG . TYR A 1 44 ? -0.941 11.729 -6.397 1.00 0.00 ? 44 TYR A CG 6 ATOM 8260 C CD1 . TYR A 1 44 ? -0.863 12.692 -7.396 1.00 0.00 ? 44 TYR A CD1 6 ATOM 8261 C CD2 . TYR A 1 44 ? -1.976 11.824 -5.475 1.00 0.00 ? 44 TYR A CD2 6 ATOM 8262 C CE1 . TYR A 1 44 ? -1.787 13.717 -7.474 1.00 0.00 ? 44 TYR A CE1 6 ATOM 8263 C CE2 . TYR A 1 44 ? -2.905 12.844 -5.546 1.00 0.00 ? 44 TYR A CE2 6 ATOM 8264 C CZ . TYR A 1 44 ? -2.806 13.788 -6.547 1.00 0.00 ? 44 TYR A CZ 6 ATOM 8265 O OH . TYR A 1 44 ? -3.728 14.807 -6.621 1.00 0.00 ? 44 TYR A OH 6 ATOM 8266 H H . TYR A 1 44 ? 2.029 9.008 -6.515 1.00 0.00 ? 44 TYR A H 6 ATOM 8267 H HA . TYR A 1 44 ? 1.520 11.477 -7.633 1.00 0.00 ? 44 TYR A HA 6 ATOM 8268 H HB2 . TYR A 1 44 ? -0.225 9.843 -7.013 1.00 0.00 ? 44 TYR A HB2 6 ATOM 8269 H HB3 . TYR A 1 44 ? 0.046 10.211 -5.313 1.00 0.00 ? 44 TYR A HB3 6 ATOM 8270 H HD1 . TYR A 1 44 ? -0.064 12.634 -8.121 1.00 0.00 ? 44 TYR A HD1 6 ATOM 8271 H HD2 . TYR A 1 44 ? -2.050 11.084 -4.692 1.00 0.00 ? 44 TYR A HD2 6 ATOM 8272 H HE1 . TYR A 1 44 ? -1.710 14.456 -8.258 1.00 0.00 ? 44 TYR A HE1 6 ATOM 8273 H HE2 . TYR A 1 44 ? -3.702 12.901 -4.820 1.00 0.00 ? 44 TYR A HE2 6 ATOM 8274 H HH . TYR A 1 44 ? -3.519 15.475 -5.964 1.00 0.00 ? 44 TYR A HH 6 ATOM 8275 N N . LEU A 1 45 ? 2.341 11.674 -4.452 1.00 0.00 ? 45 LEU A N 6 ATOM 8276 C CA . LEU A 1 45 ? 2.798 12.585 -3.409 1.00 0.00 ? 45 LEU A CA 6 ATOM 8277 C C . LEU A 1 45 ? 4.071 13.308 -3.836 1.00 0.00 ? 45 LEU A C 6 ATOM 8278 O O . LEU A 1 45 ? 4.111 14.537 -3.892 1.00 0.00 ? 45 LEU A O 6 ATOM 8279 C CB . LEU A 1 45 ? 3.045 11.820 -2.107 1.00 0.00 ? 45 LEU A CB 6 ATOM 8280 C CG . LEU A 1 45 ? 1.807 11.233 -1.429 1.00 0.00 ? 45 LEU A CG 6 ATOM 8281 C CD1 . LEU A 1 45 ? 2.211 10.290 -0.305 1.00 0.00 ? 45 LEU A CD1 6 ATOM 8282 C CD2 . LEU A 1 45 ? 0.912 12.343 -0.899 1.00 0.00 ? 45 LEU A CD2 6 ATOM 8283 H H . LEU A 1 45 ? 2.319 10.712 -4.268 1.00 0.00 ? 45 LEU A H 6 ATOM 8284 H HA . LEU A 1 45 ? 2.021 13.317 -3.244 1.00 0.00 ? 45 LEU A HA 6 ATOM 8285 H HB2 . LEU A 1 45 ? 3.720 11.006 -2.326 1.00 0.00 ? 45 LEU A HB2 6 ATOM 8286 H HB3 . LEU A 1 45 ? 3.516 12.498 -1.410 1.00 0.00 ? 45 LEU A HB3 6 ATOM 8287 H HG . LEU A 1 45 ? 1.242 10.664 -2.154 1.00 0.00 ? 45 LEU A HG 6 ATOM 8288 H HD11 . LEU A 1 45 ? 3.192 10.558 0.055 1.00 0.00 ? 45 LEU A HD11 6 ATOM 8289 H HD12 . LEU A 1 45 ? 2.228 9.276 -0.676 1.00 0.00 ? 45 LEU A HD12 6 ATOM 8290 H HD13 . LEU A 1 45 ? 1.497 10.366 0.502 1.00 0.00 ? 45 LEU A HD13 6 ATOM 8291 H HD21 . LEU A 1 45 ? -0.120 12.030 -0.955 1.00 0.00 ? 45 LEU A HD21 6 ATOM 8292 H HD22 . LEU A 1 45 ? 1.051 13.233 -1.496 1.00 0.00 ? 45 LEU A HD22 6 ATOM 8293 H HD23 . LEU A 1 45 ? 1.169 12.554 0.128 1.00 0.00 ? 45 LEU A HD23 6 ATOM 8294 N N . SER A 1 46 ? 5.110 12.536 -4.140 1.00 0.00 ? 46 SER A N 6 ATOM 8295 C CA . SER A 1 46 ? 6.386 13.103 -4.562 1.00 0.00 ? 46 SER A CA 6 ATOM 8296 C C . SER A 1 46 ? 6.180 14.158 -5.645 1.00 0.00 ? 46 SER A C 6 ATOM 8297 O O . SER A 1 46 ? 7.044 15.004 -5.873 1.00 0.00 ? 46 SER A O 6 ATOM 8298 C CB . SER A 1 46 ? 7.312 12.000 -5.078 1.00 0.00 ? 46 SER A CB 6 ATOM 8299 O OG . SER A 1 46 ? 7.895 11.280 -4.005 1.00 0.00 ? 46 SER A OG 6 ATOM 8300 H H . SER A 1 46 ? 5.017 11.562 -4.076 1.00 0.00 ? 46 SER A H 6 ATOM 8301 H HA . SER A 1 46 ? 6.841 13.570 -3.702 1.00 0.00 ? 46 SER A HA 6 ATOM 8302 H HB2 . SER A 1 46 ? 6.746 11.314 -5.689 1.00 0.00 ? 46 SER A HB2 6 ATOM 8303 H HB3 . SER A 1 46 ? 8.100 12.443 -5.670 1.00 0.00 ? 46 SER A HB3 6 ATOM 8304 H HG . SER A 1 46 ? 7.421 10.456 -3.877 1.00 0.00 ? 46 SER A HG 6 ATOM 8305 N N . GLU A 1 47 ? 5.030 14.099 -6.308 1.00 0.00 ? 47 GLU A N 6 ATOM 8306 C CA . GLU A 1 47 ? 4.711 15.049 -7.368 1.00 0.00 ? 47 GLU A CA 6 ATOM 8307 C C . GLU A 1 47 ? 4.047 16.299 -6.796 1.00 0.00 ? 47 GLU A C 6 ATOM 8308 O O . GLU A 1 47 ? 4.342 17.418 -7.216 1.00 0.00 ? 47 GLU A O 6 ATOM 8309 C CB . GLU A 1 47 ? 3.792 14.400 -8.405 1.00 0.00 ? 47 GLU A CB 6 ATOM 8310 C CG . GLU A 1 47 ? 4.541 13.706 -9.531 1.00 0.00 ? 47 GLU A CG 6 ATOM 8311 C CD . GLU A 1 47 ? 5.485 14.638 -10.265 1.00 0.00 ? 47 GLU A CD 6 ATOM 8312 O OE1 . GLU A 1 47 ? 5.193 15.851 -10.325 1.00 0.00 ? 47 GLU A OE1 6 ATOM 8313 O OE2 . GLU A 1 47 ? 6.516 14.155 -10.779 1.00 0.00 ? 47 GLU A OE2 6 ATOM 8314 H H . GLU A 1 47 ? 4.381 13.401 -6.080 1.00 0.00 ? 47 GLU A H 6 ATOM 8315 H HA . GLU A 1 47 ? 5.635 15.334 -7.847 1.00 0.00 ? 47 GLU A HA 6 ATOM 8316 H HB2 . GLU A 1 47 ? 3.170 13.670 -7.910 1.00 0.00 ? 47 GLU A HB2 6 ATOM 8317 H HB3 . GLU A 1 47 ? 3.162 15.163 -8.837 1.00 0.00 ? 47 GLU A HB3 6 ATOM 8318 H HG2 . GLU A 1 47 ? 5.115 12.891 -9.116 1.00 0.00 ? 47 GLU A HG2 6 ATOM 8319 H HG3 . GLU A 1 47 ? 3.822 13.316 -10.237 1.00 0.00 ? 47 GLU A HG3 6 ATOM 8320 N N . ALA A 1 48 ? 3.150 16.099 -5.836 1.00 0.00 ? 48 ALA A N 6 ATOM 8321 C CA . ALA A 1 48 ? 2.446 17.209 -5.206 1.00 0.00 ? 48 ALA A CA 6 ATOM 8322 C C . ALA A 1 48 ? 3.426 18.221 -4.622 1.00 0.00 ? 48 ALA A C 6 ATOM 8323 O O . ALA A 1 48 ? 3.340 19.416 -4.904 1.00 0.00 ? 48 ALA A O 6 ATOM 8324 C CB . ALA A 1 48 ? 1.510 16.693 -4.123 1.00 0.00 ? 48 ALA A CB 6 ATOM 8325 H H . ALA A 1 48 ? 2.959 15.184 -5.544 1.00 0.00 ? 48 ALA A H 6 ATOM 8326 H HA . ALA A 1 48 ? 1.848 17.697 -5.962 1.00 0.00 ? 48 ALA A HA 6 ATOM 8327 H HB1 . ALA A 1 48 ? 1.356 15.632 -4.258 1.00 0.00 ? 48 ALA A HB1 6 ATOM 8328 H HB2 . ALA A 1 48 ? 1.948 16.874 -3.153 1.00 0.00 ? 48 ALA A HB2 6 ATOM 8329 H HB3 . ALA A 1 48 ? 0.562 17.206 -4.193 1.00 0.00 ? 48 ALA A HB3 6 ATOM 8330 N N . MET A 1 49 ? 4.357 17.734 -3.808 1.00 0.00 ? 49 MET A N 6 ATOM 8331 C CA . MET A 1 49 ? 5.354 18.597 -3.185 1.00 0.00 ? 49 MET A CA 6 ATOM 8332 C C . MET A 1 49 ? 6.111 19.401 -4.238 1.00 0.00 ? 49 MET A C 6 ATOM 8333 O O . MET A 1 49 ? 6.481 20.552 -4.007 1.00 0.00 ? 49 MET A O 6 ATOM 8334 C CB . MET A 1 49 ? 6.335 17.764 -2.358 1.00 0.00 ? 49 MET A CB 6 ATOM 8335 C CG . MET A 1 49 ? 6.934 16.595 -3.123 1.00 0.00 ? 49 MET A CG 6 ATOM 8336 S SD . MET A 1 49 ? 7.837 15.456 -2.055 1.00 0.00 ? 49 MET A SD 6 ATOM 8337 C CE . MET A 1 49 ? 6.676 15.267 -0.704 1.00 0.00 ? 49 MET A CE 6 ATOM 8338 H H . MET A 1 49 ? 4.374 16.772 -3.621 1.00 0.00 ? 49 MET A H 6 ATOM 8339 H HA . MET A 1 49 ? 4.836 19.282 -2.530 1.00 0.00 ? 49 MET A HA 6 ATOM 8340 H HB2 . MET A 1 49 ? 7.142 18.402 -2.029 1.00 0.00 ? 49 MET A HB2 6 ATOM 8341 H HB3 . MET A 1 49 ? 5.820 17.374 -1.494 1.00 0.00 ? 49 MET A HB3 6 ATOM 8342 H HG2 . MET A 1 49 ? 6.136 16.053 -3.609 1.00 0.00 ? 49 MET A HG2 6 ATOM 8343 H HG3 . MET A 1 49 ? 7.612 16.981 -3.870 1.00 0.00 ? 49 MET A HG3 6 ATOM 8344 H HE1 . MET A 1 49 ? 6.836 16.051 0.021 1.00 0.00 ? 49 MET A HE1 6 ATOM 8345 H HE2 . MET A 1 49 ? 5.668 15.328 -1.086 1.00 0.00 ? 49 MET A HE2 6 ATOM 8346 H HE3 . MET A 1 49 ? 6.826 14.306 -0.234 1.00 0.00 ? 49 MET A HE3 6 ATOM 8347 N N . LYS A 1 50 ? 6.339 18.786 -5.393 1.00 0.00 ? 50 LYS A N 6 ATOM 8348 C CA . LYS A 1 50 ? 7.052 19.444 -6.482 1.00 0.00 ? 50 LYS A CA 6 ATOM 8349 C C . LYS A 1 50 ? 6.211 20.566 -7.083 1.00 0.00 ? 50 LYS A C 6 ATOM 8350 O O . LYS A 1 50 ? 6.719 21.406 -7.827 1.00 0.00 ? 50 LYS A O 6 ATOM 8351 C CB . LYS A 1 50 ? 7.416 18.428 -7.568 1.00 0.00 ? 50 LYS A CB 6 ATOM 8352 C CG . LYS A 1 50 ? 8.585 17.532 -7.195 1.00 0.00 ? 50 LYS A CG 6 ATOM 8353 C CD . LYS A 1 50 ? 8.852 16.489 -8.267 1.00 0.00 ? 50 LYS A CD 6 ATOM 8354 C CE . LYS A 1 50 ? 10.144 15.733 -7.999 1.00 0.00 ? 50 LYS A CE 6 ATOM 8355 N NZ . LYS A 1 50 ? 11.344 16.584 -8.229 1.00 0.00 ? 50 LYS A NZ 6 ATOM 8356 H H . LYS A 1 50 ? 6.020 17.867 -5.517 1.00 0.00 ? 50 LYS A H 6 ATOM 8357 H HA . LYS A 1 50 ? 7.959 19.866 -6.078 1.00 0.00 ? 50 LYS A HA 6 ATOM 8358 H HB2 . LYS A 1 50 ? 6.557 17.802 -7.761 1.00 0.00 ? 50 LYS A HB2 6 ATOM 8359 H HB3 . LYS A 1 50 ? 7.673 18.961 -8.471 1.00 0.00 ? 50 LYS A HB3 6 ATOM 8360 H HG2 . LYS A 1 50 ? 9.468 18.140 -7.071 1.00 0.00 ? 50 LYS A HG2 6 ATOM 8361 H HG3 . LYS A 1 50 ? 8.358 17.029 -6.265 1.00 0.00 ? 50 LYS A HG3 6 ATOM 8362 H HD2 . LYS A 1 50 ? 8.034 15.786 -8.286 1.00 0.00 ? 50 LYS A HD2 6 ATOM 8363 H HD3 . LYS A 1 50 ? 8.927 16.983 -9.226 1.00 0.00 ? 50 LYS A HD3 6 ATOM 8364 H HE2 . LYS A 1 50 ? 10.143 15.398 -6.973 1.00 0.00 ? 50 LYS A HE2 6 ATOM 8365 H HE3 . LYS A 1 50 ? 10.188 14.877 -8.657 1.00 0.00 ? 50 LYS A HE3 6 ATOM 8366 H HZ1 . LYS A 1 50 ? 11.119 17.343 -8.904 1.00 0.00 ? 50 LYS A HZ1 6 ATOM 8367 H HZ2 . LYS A 1 50 ? 12.120 16.011 -8.617 1.00 0.00 ? 50 LYS A HZ2 6 ATOM 8368 H HZ3 . LYS A 1 50 ? 11.656 17.012 -7.334 1.00 0.00 ? 50 LYS A HZ3 6 ATOM 8369 N N . LEU A 1 51 ? 4.924 20.575 -6.755 1.00 0.00 ? 51 LEU A N 6 ATOM 8370 C CA . LEU A 1 51 ? 4.013 21.596 -7.261 1.00 0.00 ? 51 LEU A CA 6 ATOM 8371 C C . LEU A 1 51 ? 3.804 22.699 -6.228 1.00 0.00 ? 51 LEU A C 6 ATOM 8372 O O . LEU A 1 51 ? 4.057 23.874 -6.498 1.00 0.00 ? 51 LEU A O 6 ATOM 8373 C CB . LEU A 1 51 ? 2.669 20.968 -7.633 1.00 0.00 ? 51 LEU A CB 6 ATOM 8374 C CG . LEU A 1 51 ? 1.898 21.653 -8.762 1.00 0.00 ? 51 LEU A CG 6 ATOM 8375 C CD1 . LEU A 1 51 ? 0.958 20.669 -9.441 1.00 0.00 ? 51 LEU A CD1 6 ATOM 8376 C CD2 . LEU A 1 51 ? 1.125 22.851 -8.229 1.00 0.00 ? 51 LEU A CD2 6 ATOM 8377 H H . LEU A 1 51 ? 4.577 19.880 -6.158 1.00 0.00 ? 51 LEU A H 6 ATOM 8378 H HA . LEU A 1 51 ? 4.457 22.027 -8.146 1.00 0.00 ? 51 LEU A HA 6 ATOM 8379 H HB2 . LEU A 1 51 ? 2.852 19.947 -7.930 1.00 0.00 ? 51 LEU A HB2 6 ATOM 8380 H HB3 . LEU A 1 51 ? 2.044 20.978 -6.751 1.00 0.00 ? 51 LEU A HB3 6 ATOM 8381 H HG . LEU A 1 51 ? 2.599 22.010 -9.504 1.00 0.00 ? 51 LEU A HG 6 ATOM 8382 H HD11 . LEU A 1 51 ? 1.228 20.573 -10.481 1.00 0.00 ? 51 LEU A HD11 6 ATOM 8383 H HD12 . LEU A 1 51 ? -0.057 21.029 -9.363 1.00 0.00 ? 51 LEU A HD12 6 ATOM 8384 H HD13 . LEU A 1 51 ? 1.036 19.706 -8.958 1.00 0.00 ? 51 LEU A HD13 6 ATOM 8385 H HD21 . LEU A 1 51 ? 0.620 23.345 -9.047 1.00 0.00 ? 51 LEU A HD21 6 ATOM 8386 H HD22 . LEU A 1 51 ? 1.810 23.542 -7.760 1.00 0.00 ? 51 LEU A HD22 6 ATOM 8387 H HD23 . LEU A 1 51 ? 0.397 22.517 -7.506 1.00 0.00 ? 51 LEU A HD23 6 ATOM 8388 N N . THR A 1 52 ? 3.341 22.313 -5.043 1.00 0.00 ? 52 THR A N 6 ATOM 8389 C CA . THR A 1 52 ? 3.099 23.269 -3.969 1.00 0.00 ? 52 THR A CA 6 ATOM 8390 C C . THR A 1 52 ? 4.319 24.152 -3.733 1.00 0.00 ? 52 THR A C 6 ATOM 8391 O O . THR A 1 52 ? 5.420 23.655 -3.502 1.00 0.00 ? 52 THR A O 6 ATOM 8392 C CB . THR A 1 52 ? 2.734 22.555 -2.654 1.00 0.00 ? 52 THR A CB 6 ATOM 8393 O OG1 . THR A 1 52 ? 2.031 23.453 -1.788 1.00 0.00 ? 52 THR A OG1 6 ATOM 8394 C CG2 . THR A 1 52 ? 3.982 22.040 -1.953 1.00 0.00 ? 52 THR A CG2 6 ATOM 8395 H H . THR A 1 52 ? 3.159 21.363 -4.889 1.00 0.00 ? 52 THR A H 6 ATOM 8396 H HA . THR A 1 52 ? 2.266 23.892 -4.260 1.00 0.00 ? 52 THR A HA 6 ATOM 8397 H HB . THR A 1 52 ? 2.095 21.714 -2.884 1.00 0.00 ? 52 THR A HB 6 ATOM 8398 H HG1 . THR A 1 52 ? 2.289 24.356 -1.986 1.00 0.00 ? 52 THR A HG1 6 ATOM 8399 H HG21 . THR A 1 52 ? 4.573 21.462 -2.649 1.00 0.00 ? 52 THR A HG21 6 ATOM 8400 H HG22 . THR A 1 52 ? 3.695 21.417 -1.119 1.00 0.00 ? 52 THR A HG22 6 ATOM 8401 H HG23 . THR A 1 52 ? 4.564 22.876 -1.595 1.00 0.00 ? 52 THR A HG23 6 ATOM 8402 N N . GLU A 1 53 ? 4.114 25.464 -3.793 1.00 0.00 ? 53 GLU A N 6 ATOM 8403 C CA . GLU A 1 53 ? 5.199 26.416 -3.585 1.00 0.00 ? 53 GLU A CA 6 ATOM 8404 C C . GLU A 1 53 ? 5.498 26.584 -2.099 1.00 0.00 ? 53 GLU A C 6 ATOM 8405 O O . GLU A 1 53 ? 6.648 26.778 -1.704 1.00 0.00 ? 53 GLU A O 6 ATOM 8406 C CB . GLU A 1 53 ? 4.844 27.771 -4.202 1.00 0.00 ? 53 GLU A CB 6 ATOM 8407 C CG . GLU A 1 53 ? 5.981 28.777 -4.157 1.00 0.00 ? 53 GLU A CG 6 ATOM 8408 C CD . GLU A 1 53 ? 7.290 28.201 -4.662 1.00 0.00 ? 53 GLU A CD 6 ATOM 8409 O OE1 . GLU A 1 53 ? 7.486 28.169 -5.896 1.00 0.00 ? 53 GLU A OE1 6 ATOM 8410 O OE2 . GLU A 1 53 ? 8.117 27.783 -3.826 1.00 0.00 ? 53 GLU A OE2 6 ATOM 8411 H H . GLU A 1 53 ? 3.213 25.800 -3.981 1.00 0.00 ? 53 GLU A H 6 ATOM 8412 H HA . GLU A 1 53 ? 6.079 26.028 -4.076 1.00 0.00 ? 53 GLU A HA 6 ATOM 8413 H HB2 . GLU A 1 53 ? 4.563 27.621 -5.234 1.00 0.00 ? 53 GLU A HB2 6 ATOM 8414 H HB3 . GLU A 1 53 ? 4.003 28.186 -3.666 1.00 0.00 ? 53 GLU A HB3 6 ATOM 8415 H HG2 . GLU A 1 53 ? 5.719 29.626 -4.771 1.00 0.00 ? 53 GLU A HG2 6 ATOM 8416 H HG3 . GLU A 1 53 ? 6.118 29.101 -3.136 1.00 0.00 ? 53 GLU A HG3 6 ATOM 8417 N N . SER A 1 54 ? 4.455 26.508 -1.279 1.00 0.00 ? 54 SER A N 6 ATOM 8418 C CA . SER A 1 54 ? 4.605 26.656 0.164 1.00 0.00 ? 54 SER A CA 6 ATOM 8419 C C . SER A 1 54 ? 5.545 25.594 0.725 1.00 0.00 ? 54 SER A C 6 ATOM 8420 O O . SER A 1 54 ? 5.717 24.528 0.134 1.00 0.00 ? 54 SER A O 6 ATOM 8421 C CB . SER A 1 54 ? 3.241 26.561 0.852 1.00 0.00 ? 54 SER A CB 6 ATOM 8422 O OG . SER A 1 54 ? 3.336 26.909 2.223 1.00 0.00 ? 54 SER A OG 6 ATOM 8423 H H . SER A 1 54 ? 3.563 26.352 -1.654 1.00 0.00 ? 54 SER A H 6 ATOM 8424 H HA . SER A 1 54 ? 5.027 27.632 0.356 1.00 0.00 ? 54 SER A HA 6 ATOM 8425 H HB2 . SER A 1 54 ? 2.549 27.234 0.369 1.00 0.00 ? 54 SER A HB2 6 ATOM 8426 H HB3 . SER A 1 54 ? 2.872 25.548 0.774 1.00 0.00 ? 54 SER A HB3 6 ATOM 8427 H HG . SER A 1 54 ? 3.000 26.188 2.760 1.00 0.00 ? 54 SER A HG 6 ATOM 8428 N N . GLU A 1 55 ? 6.151 25.894 1.869 1.00 0.00 ? 55 GLU A N 6 ATOM 8429 C CA . GLU A 1 55 ? 7.075 24.965 2.510 1.00 0.00 ? 55 GLU A CA 6 ATOM 8430 C C . GLU A 1 55 ? 6.319 23.924 3.331 1.00 0.00 ? 55 GLU A C 6 ATOM 8431 O O . GLU A 1 55 ? 6.367 22.731 3.034 1.00 0.00 ? 55 GLU A O 6 ATOM 8432 C CB . GLU A 1 55 ? 8.056 25.723 3.406 1.00 0.00 ? 55 GLU A CB 6 ATOM 8433 C CG . GLU A 1 55 ? 9.240 24.885 3.859 1.00 0.00 ? 55 GLU A CG 6 ATOM 8434 C CD . GLU A 1 55 ? 9.969 25.495 5.040 1.00 0.00 ? 55 GLU A CD 6 ATOM 8435 O OE1 . GLU A 1 55 ? 9.290 25.944 5.988 1.00 0.00 ? 55 GLU A OE1 6 ATOM 8436 O OE2 . GLU A 1 55 ? 11.217 25.525 5.017 1.00 0.00 ? 55 GLU A OE2 6 ATOM 8437 H H . GLU A 1 55 ? 5.973 26.759 2.293 1.00 0.00 ? 55 GLU A H 6 ATOM 8438 H HA . GLU A 1 55 ? 7.629 24.459 1.733 1.00 0.00 ? 55 GLU A HA 6 ATOM 8439 H HB2 . GLU A 1 55 ? 8.433 26.578 2.864 1.00 0.00 ? 55 GLU A HB2 6 ATOM 8440 H HB3 . GLU A 1 55 ? 7.530 26.068 4.284 1.00 0.00 ? 55 GLU A HB3 6 ATOM 8441 H HG2 . GLU A 1 55 ? 8.884 23.906 4.142 1.00 0.00 ? 55 GLU A HG2 6 ATOM 8442 H HG3 . GLU A 1 55 ? 9.934 24.790 3.037 1.00 0.00 ? 55 GLU A HG3 6 ATOM 8443 N N . GLN A 1 56 ? 5.622 24.387 4.364 1.00 0.00 ? 56 GLN A N 6 ATOM 8444 C CA . GLN A 1 56 ? 4.857 23.496 5.229 1.00 0.00 ? 56 GLN A CA 6 ATOM 8445 C C . GLN A 1 56 ? 4.179 22.398 4.416 1.00 0.00 ? 56 GLN A C 6 ATOM 8446 O O . GLN A 1 56 ? 4.373 21.211 4.676 1.00 0.00 ? 56 GLN A O 6 ATOM 8447 C CB . GLN A 1 56 ? 3.809 24.288 6.012 1.00 0.00 ? 56 GLN A CB 6 ATOM 8448 C CG . GLN A 1 56 ? 4.403 25.190 7.083 1.00 0.00 ? 56 GLN A CG 6 ATOM 8449 C CD . GLN A 1 56 ? 4.638 24.464 8.393 1.00 0.00 ? 56 GLN A CD 6 ATOM 8450 O OE1 . GLN A 1 56 ? 5.777 24.307 8.832 1.00 0.00 ? 56 GLN A OE1 6 ATOM 8451 N NE2 . GLN A 1 56 ? 3.558 24.018 9.024 1.00 0.00 ? 56 GLN A NE2 6 ATOM 8452 H H . GLN A 1 56 ? 5.624 25.349 4.549 1.00 0.00 ? 56 GLN A H 6 ATOM 8453 H HA . GLN A 1 56 ? 5.544 23.040 5.925 1.00 0.00 ? 56 GLN A HA 6 ATOM 8454 H HB2 . GLN A 1 56 ? 3.250 24.904 5.323 1.00 0.00 ? 56 GLN A HB2 6 ATOM 8455 H HB3 . GLN A 1 56 ? 3.135 23.594 6.491 1.00 0.00 ? 56 GLN A HB3 6 ATOM 8456 H HG2 . GLN A 1 56 ? 5.347 25.575 6.728 1.00 0.00 ? 56 GLN A HG2 6 ATOM 8457 H HG3 . GLN A 1 56 ? 3.724 26.012 7.259 1.00 0.00 ? 56 GLN A HG3 6 ATOM 8458 H HE21 . GLN A 1 56 ? 2.683 24.179 8.613 1.00 0.00 ? 56 GLN A HE21 6 ATOM 8459 H HE22 . GLN A 1 56 ? 3.681 23.544 9.872 1.00 0.00 ? 56 GLN A HE22 6 ATOM 8460 N N . ALA A 1 57 ? 3.384 22.803 3.431 1.00 0.00 ? 57 ALA A N 6 ATOM 8461 C CA . ALA A 1 57 ? 2.679 21.854 2.580 1.00 0.00 ? 57 ALA A CA 6 ATOM 8462 C C . ALA A 1 57 ? 3.599 20.719 2.143 1.00 0.00 ? 57 ALA A C 6 ATOM 8463 O O . ALA A 1 57 ? 3.234 19.545 2.219 1.00 0.00 ? 57 ALA A O 6 ATOM 8464 C CB . ALA A 1 57 ? 2.100 22.563 1.365 1.00 0.00 ? 57 ALA A CB 6 ATOM 8465 H H . ALA A 1 57 ? 3.270 23.763 3.273 1.00 0.00 ? 57 ALA A H 6 ATOM 8466 H HA . ALA A 1 57 ? 1.859 21.440 3.149 1.00 0.00 ? 57 ALA A HA 6 ATOM 8467 H HB1 . ALA A 1 57 ? 1.891 21.838 0.591 1.00 0.00 ? 57 ALA A HB1 6 ATOM 8468 H HB2 . ALA A 1 57 ? 1.186 23.066 1.644 1.00 0.00 ? 57 ALA A HB2 6 ATOM 8469 H HB3 . ALA A 1 57 ? 2.812 23.287 0.998 1.00 0.00 ? 57 ALA A HB3 6 ATOM 8470 N N . HIS A 1 58 ? 4.795 21.076 1.684 1.00 0.00 ? 58 HIS A N 6 ATOM 8471 C CA . HIS A 1 58 ? 5.768 20.087 1.235 1.00 0.00 ? 58 HIS A CA 6 ATOM 8472 C C . HIS A 1 58 ? 6.129 19.127 2.365 1.00 0.00 ? 58 HIS A C 6 ATOM 8473 O O . HIS A 1 58 ? 6.362 17.940 2.134 1.00 0.00 ? 58 HIS A O 6 ATOM 8474 C CB . HIS A 1 58 ? 7.028 20.780 0.716 1.00 0.00 ? 58 HIS A CB 6 ATOM 8475 C CG . HIS A 1 58 ? 8.175 19.844 0.489 1.00 0.00 ? 58 HIS A CG 6 ATOM 8476 N ND1 . HIS A 1 58 ? 8.765 19.116 1.501 1.00 0.00 ? 58 HIS A ND1 6 ATOM 8477 C CD2 . HIS A 1 58 ? 8.841 19.518 -0.644 1.00 0.00 ? 58 HIS A CD2 6 ATOM 8478 C CE1 . HIS A 1 58 ? 9.744 18.384 1.000 1.00 0.00 ? 58 HIS A CE1 6 ATOM 8479 N NE2 . HIS A 1 58 ? 9.811 18.609 -0.300 1.00 0.00 ? 58 HIS A NE2 6 ATOM 8480 H H . HIS A 1 58 ? 5.028 22.027 1.648 1.00 0.00 ? 58 HIS A H 6 ATOM 8481 H HA . HIS A 1 58 ? 5.321 19.523 0.430 1.00 0.00 ? 58 HIS A HA 6 ATOM 8482 H HB2 . HIS A 1 58 ? 6.805 21.264 -0.223 1.00 0.00 ? 58 HIS A HB2 6 ATOM 8483 H HB3 . HIS A 1 58 ? 7.343 21.524 1.434 1.00 0.00 ? 58 HIS A HB3 6 ATOM 8484 H HD1 . HIS A 1 58 ? 8.505 19.134 2.445 1.00 0.00 ? 58 HIS A HD1 6 ATOM 8485 H HD2 . HIS A 1 58 ? 8.646 19.901 -1.636 1.00 0.00 ? 58 HIS A HD2 6 ATOM 8486 H HE1 . HIS A 1 58 ? 10.382 17.715 1.558 1.00 0.00 ? 58 HIS A HE1 6 ATOM 8487 H HE2 . HIS A 1 58 ? 10.503 18.260 -0.898 1.00 0.00 ? 58 HIS A HE2 6 ATOM 8488 N N . LEU A 1 59 ? 6.173 19.649 3.586 1.00 0.00 ? 59 LEU A N 6 ATOM 8489 C CA . LEU A 1 59 ? 6.506 18.839 4.752 1.00 0.00 ? 59 LEU A CA 6 ATOM 8490 C C . LEU A 1 59 ? 5.442 17.773 4.997 1.00 0.00 ? 59 LEU A C 6 ATOM 8491 O O . LEU A 1 59 ? 5.733 16.577 4.986 1.00 0.00 ? 59 LEU A O 6 ATOM 8492 C CB . LEU A 1 59 ? 6.650 19.726 5.990 1.00 0.00 ? 59 LEU A CB 6 ATOM 8493 C CG . LEU A 1 59 ? 7.458 21.011 5.804 1.00 0.00 ? 59 LEU A CG 6 ATOM 8494 C CD1 . LEU A 1 59 ? 7.465 21.827 7.088 1.00 0.00 ? 59 LEU A CD1 6 ATOM 8495 C CD2 . LEU A 1 59 ? 8.879 20.689 5.367 1.00 0.00 ? 59 LEU A CD2 6 ATOM 8496 H H . LEU A 1 59 ? 5.977 20.601 3.707 1.00 0.00 ? 59 LEU A H 6 ATOM 8497 H HA . LEU A 1 59 ? 7.449 18.350 4.558 1.00 0.00 ? 59 LEU A HA 6 ATOM 8498 H HB2 . LEU A 1 59 ? 5.659 20.003 6.315 1.00 0.00 ? 59 LEU A HB2 6 ATOM 8499 H HB3 . LEU A 1 59 ? 7.130 19.141 6.761 1.00 0.00 ? 59 LEU A HB3 6 ATOM 8500 H HG . LEU A 1 59 ? 6.996 21.610 5.031 1.00 0.00 ? 59 LEU A HG 6 ATOM 8501 H HD11 . LEU A 1 59 ? 7.952 22.774 6.909 1.00 0.00 ? 59 LEU A HD11 6 ATOM 8502 H HD12 . LEU A 1 59 ? 7.999 21.286 7.855 1.00 0.00 ? 59 LEU A HD12 6 ATOM 8503 H HD13 . LEU A 1 59 ? 6.448 21.999 7.410 1.00 0.00 ? 59 LEU A HD13 6 ATOM 8504 H HD21 . LEU A 1 59 ? 8.854 19.959 4.571 1.00 0.00 ? 59 LEU A HD21 6 ATOM 8505 H HD22 . LEU A 1 59 ? 9.432 20.289 6.205 1.00 0.00 ? 59 LEU A HD22 6 ATOM 8506 H HD23 . LEU A 1 59 ? 9.360 21.589 5.014 1.00 0.00 ? 59 LEU A HD23 6 ATOM 8507 N N . SER A 1 60 ? 4.208 18.216 5.217 1.00 0.00 ? 60 SER A N 6 ATOM 8508 C CA . SER A 1 60 ? 3.101 17.301 5.466 1.00 0.00 ? 60 SER A CA 6 ATOM 8509 C C . SER A 1 60 ? 3.149 16.116 4.506 1.00 0.00 ? 60 SER A C 6 ATOM 8510 O O . SER A 1 60 ? 2.610 15.046 4.793 1.00 0.00 ? 60 SER A O 6 ATOM 8511 C CB . SER A 1 60 ? 1.765 18.033 5.324 1.00 0.00 ? 60 SER A CB 6 ATOM 8512 O OG . SER A 1 60 ? 1.427 18.714 6.520 1.00 0.00 ? 60 SER A OG 6 ATOM 8513 H H . SER A 1 60 ? 4.040 19.182 5.213 1.00 0.00 ? 60 SER A H 6 ATOM 8514 H HA . SER A 1 60 ? 3.195 16.934 6.477 1.00 0.00 ? 60 SER A HA 6 ATOM 8515 H HB2 . SER A 1 60 ? 1.834 18.751 4.521 1.00 0.00 ? 60 SER A HB2 6 ATOM 8516 H HB3 . SER A 1 60 ? 0.988 17.316 5.099 1.00 0.00 ? 60 SER A HB3 6 ATOM 8517 H HG . SER A 1 60 ? 0.503 18.971 6.492 1.00 0.00 ? 60 SER A HG 6 ATOM 8518 N N . LEU A 1 61 ? 3.799 16.314 3.364 1.00 0.00 ? 61 LEU A N 6 ATOM 8519 C CA . LEU A 1 61 ? 3.919 15.262 2.360 1.00 0.00 ? 61 LEU A CA 6 ATOM 8520 C C . LEU A 1 61 ? 5.111 14.358 2.657 1.00 0.00 ? 61 LEU A C 6 ATOM 8521 O O . LEU A 1 61 ? 4.983 13.135 2.680 1.00 0.00 ? 61 LEU A O 6 ATOM 8522 C CB . LEU A 1 61 ? 4.064 15.875 0.966 1.00 0.00 ? 61 LEU A CB 6 ATOM 8523 C CG . LEU A 1 61 ? 2.932 16.801 0.518 1.00 0.00 ? 61 LEU A CG 6 ATOM 8524 C CD1 . LEU A 1 61 ? 3.321 17.544 -0.750 1.00 0.00 ? 61 LEU A CD1 6 ATOM 8525 C CD2 . LEU A 1 61 ? 1.650 16.010 0.303 1.00 0.00 ? 61 LEU A CD2 6 ATOM 8526 H H . LEU A 1 61 ? 4.208 17.187 3.191 1.00 0.00 ? 61 LEU A H 6 ATOM 8527 H HA . LEU A 1 61 ? 3.016 14.670 2.391 1.00 0.00 ? 61 LEU A HA 6 ATOM 8528 H HB2 . LEU A 1 61 ? 4.982 16.443 0.949 1.00 0.00 ? 61 LEU A HB2 6 ATOM 8529 H HB3 . LEU A 1 61 ? 4.131 15.065 0.254 1.00 0.00 ? 61 LEU A HB3 6 ATOM 8530 H HG . LEU A 1 61 ? 2.748 17.534 1.291 1.00 0.00 ? 61 LEU A HG 6 ATOM 8531 H HD11 . LEU A 1 61 ? 4.175 18.174 -0.551 1.00 0.00 ? 61 LEU A HD11 6 ATOM 8532 H HD12 . LEU A 1 61 ? 2.492 18.154 -1.078 1.00 0.00 ? 61 LEU A HD12 6 ATOM 8533 H HD13 . LEU A 1 61 ? 3.571 16.832 -1.523 1.00 0.00 ? 61 LEU A HD13 6 ATOM 8534 H HD21 . LEU A 1 61 ? 0.813 16.690 0.250 1.00 0.00 ? 61 LEU A HD21 6 ATOM 8535 H HD22 . LEU A 1 61 ? 1.507 15.326 1.128 1.00 0.00 ? 61 LEU A HD22 6 ATOM 8536 H HD23 . LEU A 1 61 ? 1.721 15.453 -0.619 1.00 0.00 ? 61 LEU A HD23 6 ATOM 8537 N N . GLU A 1 62 ? 6.268 14.971 2.887 1.00 0.00 ? 62 GLU A N 6 ATOM 8538 C CA . GLU A 1 62 ? 7.483 14.220 3.185 1.00 0.00 ? 62 GLU A CA 6 ATOM 8539 C C . GLU A 1 62 ? 7.282 13.321 4.402 1.00 0.00 ? 62 GLU A C 6 ATOM 8540 O O . GLU A 1 62 ? 8.022 12.358 4.605 1.00 0.00 ? 62 GLU A O 6 ATOM 8541 C CB . GLU A 1 62 ? 8.652 15.176 3.431 1.00 0.00 ? 62 GLU A CB 6 ATOM 8542 C CG . GLU A 1 62 ? 8.755 15.654 4.869 1.00 0.00 ? 62 GLU A CG 6 ATOM 8543 C CD . GLU A 1 62 ? 10.032 16.427 5.137 1.00 0.00 ? 62 GLU A CD 6 ATOM 8544 O OE1 . GLU A 1 62 ? 11.047 15.791 5.490 1.00 0.00 ? 62 GLU A OE1 6 ATOM 8545 O OE2 . GLU A 1 62 ? 10.017 17.667 4.993 1.00 0.00 ? 62 GLU A OE2 6 ATOM 8546 H H . GLU A 1 62 ? 6.307 15.949 2.855 1.00 0.00 ? 62 GLU A H 6 ATOM 8547 H HA . GLU A 1 62 ? 7.709 13.602 2.329 1.00 0.00 ? 62 GLU A HA 6 ATOM 8548 H HB2 . GLU A 1 62 ? 9.573 14.673 3.173 1.00 0.00 ? 62 GLU A HB2 6 ATOM 8549 H HB3 . GLU A 1 62 ? 8.534 16.040 2.794 1.00 0.00 ? 62 GLU A HB3 6 ATOM 8550 H HG2 . GLU A 1 62 ? 7.913 16.295 5.083 1.00 0.00 ? 62 GLU A HG2 6 ATOM 8551 H HG3 . GLU A 1 62 ? 8.728 14.795 5.524 1.00 0.00 ? 62 GLU A HG3 6 ATOM 8552 N N . LEU A 1 63 ? 6.277 13.643 5.208 1.00 0.00 ? 63 LEU A N 6 ATOM 8553 C CA . LEU A 1 63 ? 5.978 12.865 6.406 1.00 0.00 ? 63 LEU A CA 6 ATOM 8554 C C . LEU A 1 63 ? 4.970 11.761 6.101 1.00 0.00 ? 63 LEU A C 6 ATOM 8555 O O . LEU A 1 63 ? 5.097 10.640 6.593 1.00 0.00 ? 63 LEU A O 6 ATOM 8556 C CB . LEU A 1 63 ? 5.434 13.777 7.507 1.00 0.00 ? 63 LEU A CB 6 ATOM 8557 C CG . LEU A 1 63 ? 6.477 14.555 8.310 1.00 0.00 ? 63 LEU A CG 6 ATOM 8558 C CD1 . LEU A 1 63 ? 5.801 15.528 9.263 1.00 0.00 ? 63 LEU A CD1 6 ATOM 8559 C CD2 . LEU A 1 63 ? 7.382 13.599 9.075 1.00 0.00 ? 63 LEU A CD2 6 ATOM 8560 H H . LEU A 1 63 ? 5.721 14.421 4.994 1.00 0.00 ? 63 LEU A H 6 ATOM 8561 H HA . LEU A 1 63 ? 6.897 12.413 6.745 1.00 0.00 ? 63 LEU A HA 6 ATOM 8562 H HB2 . LEU A 1 63 ? 4.771 14.493 7.046 1.00 0.00 ? 63 LEU A HB2 6 ATOM 8563 H HB3 . LEU A 1 63 ? 4.874 13.163 8.197 1.00 0.00 ? 63 LEU A HB3 6 ATOM 8564 H HG . LEU A 1 63 ? 7.093 15.127 7.630 1.00 0.00 ? 63 LEU A HG 6 ATOM 8565 H HD11 . LEU A 1 63 ? 5.130 14.988 9.913 1.00 0.00 ? 63 LEU A HD11 6 ATOM 8566 H HD12 . LEU A 1 63 ? 5.243 16.258 8.695 1.00 0.00 ? 63 LEU A HD12 6 ATOM 8567 H HD13 . LEU A 1 63 ? 6.551 16.031 9.856 1.00 0.00 ? 63 LEU A HD13 6 ATOM 8568 H HD21 . LEU A 1 63 ? 6.777 12.905 9.638 1.00 0.00 ? 63 LEU A HD21 6 ATOM 8569 H HD22 . LEU A 1 63 ? 8.009 14.162 9.752 1.00 0.00 ? 63 LEU A HD22 6 ATOM 8570 H HD23 . LEU A 1 63 ? 8.001 13.055 8.378 1.00 0.00 ? 63 LEU A HD23 6 ATOM 8571 N N . GLN A 1 64 ? 3.973 12.086 5.285 1.00 0.00 ? 64 GLN A N 6 ATOM 8572 C CA . GLN A 1 64 ? 2.945 11.121 4.913 1.00 0.00 ? 64 GLN A CA 6 ATOM 8573 C C . GLN A 1 64 ? 3.536 9.992 4.075 1.00 0.00 ? 64 GLN A C 6 ATOM 8574 O O . GLN A 1 64 ? 3.198 8.823 4.263 1.00 0.00 ? 64 GLN A O 6 ATOM 8575 C CB . GLN A 1 64 ? 1.821 11.813 4.139 1.00 0.00 ? 64 GLN A CB 6 ATOM 8576 C CG . GLN A 1 64 ? 0.499 11.065 4.189 1.00 0.00 ? 64 GLN A CG 6 ATOM 8577 C CD . GLN A 1 64 ? -0.079 10.993 5.589 1.00 0.00 ? 64 GLN A CD 6 ATOM 8578 O OE1 . GLN A 1 64 ? 0.172 11.865 6.422 1.00 0.00 ? 64 GLN A OE1 6 ATOM 8579 N NE2 . GLN A 1 64 ? -0.858 9.951 5.855 1.00 0.00 ? 64 GLN A NE2 6 ATOM 8580 H H . GLN A 1 64 ? 3.927 12.996 4.925 1.00 0.00 ? 64 GLN A H 6 ATOM 8581 H HA . GLN A 1 64 ? 2.539 10.703 5.822 1.00 0.00 ? 64 GLN A HA 6 ATOM 8582 H HB2 . GLN A 1 64 ? 1.669 12.798 4.553 1.00 0.00 ? 64 GLN A HB2 6 ATOM 8583 H HB3 . GLN A 1 64 ? 2.118 11.907 3.105 1.00 0.00 ? 64 GLN A HB3 6 ATOM 8584 H HG2 . GLN A 1 64 ? -0.210 11.571 3.550 1.00 0.00 ? 64 GLN A HG2 6 ATOM 8585 H HG3 . GLN A 1 64 ? 0.655 10.060 3.827 1.00 0.00 ? 64 GLN A HG3 6 ATOM 8586 H HE21 . GLN A 1 64 ? -1.012 9.295 5.143 1.00 0.00 ? 64 GLN A HE21 6 ATOM 8587 H HE22 . GLN A 1 64 ? -1.243 9.879 6.752 1.00 0.00 ? 64 GLN A HE22 6 ATOM 8588 N N . ARG A 1 65 ? 4.419 10.350 3.148 1.00 0.00 ? 65 ARG A N 6 ATOM 8589 C CA . ARG A 1 65 ? 5.055 9.367 2.279 1.00 0.00 ? 65 ARG A CA 6 ATOM 8590 C C . ARG A 1 65 ? 5.746 8.282 3.100 1.00 0.00 ? 65 ARG A C 6 ATOM 8591 O O . ARG A 1 65 ? 5.617 7.093 2.809 1.00 0.00 ? 65 ARG A O 6 ATOM 8592 C CB . ARG A 1 65 ? 6.070 10.049 1.360 1.00 0.00 ? 65 ARG A CB 6 ATOM 8593 C CG . ARG A 1 65 ? 6.242 9.353 0.020 1.00 0.00 ? 65 ARG A CG 6 ATOM 8594 C CD . ARG A 1 65 ? 7.646 9.546 -0.532 1.00 0.00 ? 65 ARG A CD 6 ATOM 8595 N NE . ARG A 1 65 ? 8.011 10.957 -0.617 1.00 0.00 ? 65 ARG A NE 6 ATOM 8596 C CZ . ARG A 1 65 ? 9.266 11.392 -0.628 1.00 0.00 ? 65 ARG A CZ 6 ATOM 8597 N NH1 . ARG A 1 65 ? 10.271 10.530 -0.560 1.00 0.00 ? 65 ARG A NH1 6 ATOM 8598 N NH2 . ARG A 1 65 ? 9.518 12.693 -0.707 1.00 0.00 ? 65 ARG A NH2 6 ATOM 8599 H H . ARG A 1 65 ? 4.647 11.298 3.045 1.00 0.00 ? 65 ARG A H 6 ATOM 8600 H HA . ARG A 1 65 ? 4.286 8.910 1.675 1.00 0.00 ? 65 ARG A HA 6 ATOM 8601 H HB2 . ARG A 1 65 ? 5.746 11.063 1.175 1.00 0.00 ? 65 ARG A HB2 6 ATOM 8602 H HB3 . ARG A 1 65 ? 7.029 10.071 1.855 1.00 0.00 ? 65 ARG A HB3 6 ATOM 8603 H HG2 . ARG A 1 65 ? 6.060 8.296 0.148 1.00 0.00 ? 65 ARG A HG2 6 ATOM 8604 H HG3 . ARG A 1 65 ? 5.529 9.760 -0.681 1.00 0.00 ? 65 ARG A HG3 6 ATOM 8605 H HD2 . ARG A 1 65 ? 8.346 9.041 0.116 1.00 0.00 ? 65 ARG A HD2 6 ATOM 8606 H HD3 . ARG A 1 65 ? 7.692 9.111 -1.520 1.00 0.00 ? 65 ARG A HD3 6 ATOM 8607 H HE . ARG A 1 65 ? 7.284 11.612 -0.668 1.00 0.00 ? 65 ARG A HE 6 ATOM 8608 H HH11 . ARG A 1 65 ? 10.084 9.549 -0.501 1.00 0.00 ? 65 ARG A HH11 6 ATOM 8609 H HH12 . ARG A 1 65 ? 11.215 10.860 -0.569 1.00 0.00 ? 65 ARG A HH12 6 ATOM 8610 H HH21 . ARG A 1 65 ? 8.763 13.346 -0.759 1.00 0.00 ? 65 ARG A HH21 6 ATOM 8611 H HH22 . ARG A 1 65 ? 10.463 13.019 -0.715 1.00 0.00 ? 65 ARG A HH22 6 ATOM 8612 N N . ASP A 1 66 ? 6.478 8.700 4.127 1.00 0.00 ? 66 ASP A N 6 ATOM 8613 C CA . ASP A 1 66 ? 7.188 7.764 4.991 1.00 0.00 ? 66 ASP A CA 6 ATOM 8614 C C . ASP A 1 66 ? 6.391 6.476 5.168 1.00 0.00 ? 66 ASP A C 6 ATOM 8615 O O . ASP A 1 66 ? 6.772 5.423 4.655 1.00 0.00 ? 66 ASP A O 6 ATOM 8616 C CB . ASP A 1 66 ? 7.460 8.402 6.355 1.00 0.00 ? 66 ASP A CB 6 ATOM 8617 C CG . ASP A 1 66 ? 8.132 7.443 7.318 1.00 0.00 ? 66 ASP A CG 6 ATOM 8618 O OD1 . ASP A 1 66 ? 9.228 6.944 6.989 1.00 0.00 ? 66 ASP A OD1 6 ATOM 8619 O OD2 . ASP A 1 66 ? 7.562 7.192 8.400 1.00 0.00 ? 66 ASP A OD2 6 ATOM 8620 H H . ASP A 1 66 ? 6.541 9.661 4.309 1.00 0.00 ? 66 ASP A H 6 ATOM 8621 H HA . ASP A 1 66 ? 8.130 7.528 4.520 1.00 0.00 ? 66 ASP A HA 6 ATOM 8622 H HB2 . ASP A 1 66 ? 8.103 9.260 6.222 1.00 0.00 ? 66 ASP A HB2 6 ATOM 8623 H HB3 . ASP A 1 66 ? 6.524 8.722 6.788 1.00 0.00 ? 66 ASP A HB3 6 ATOM 8624 N N . SER A 1 67 ? 5.284 6.566 5.898 1.00 0.00 ? 67 SER A N 6 ATOM 8625 C CA . SER A 1 67 ? 4.435 5.406 6.147 1.00 0.00 ? 67 SER A CA 6 ATOM 8626 C C . SER A 1 67 ? 4.090 4.696 4.841 1.00 0.00 ? 67 SER A C 6 ATOM 8627 O O . SER A 1 67 ? 4.358 3.505 4.679 1.00 0.00 ? 67 SER A O 6 ATOM 8628 C CB . SER A 1 67 ? 3.153 5.831 6.864 1.00 0.00 ? 67 SER A CB 6 ATOM 8629 O OG . SER A 1 67 ? 2.431 6.781 6.100 1.00 0.00 ? 67 SER A OG 6 ATOM 8630 H H . SER A 1 67 ? 5.033 7.433 6.280 1.00 0.00 ? 67 SER A H 6 ATOM 8631 H HA . SER A 1 67 ? 4.984 4.724 6.780 1.00 0.00 ? 67 SER A HA 6 ATOM 8632 H HB2 . SER A 1 67 ? 2.528 4.965 7.023 1.00 0.00 ? 67 SER A HB2 6 ATOM 8633 H HB3 . SER A 1 67 ? 3.406 6.271 7.818 1.00 0.00 ? 67 SER A HB3 6 ATOM 8634 H HG . SER A 1 67 ? 2.364 7.603 6.591 1.00 0.00 ? 67 SER A HG 6 ATOM 8635 N N . HIS A 1 68 ? 3.492 5.436 3.912 1.00 0.00 ? 68 HIS A N 6 ATOM 8636 C CA . HIS A 1 68 ? 3.110 4.878 2.620 1.00 0.00 ? 68 HIS A CA 6 ATOM 8637 C C . HIS A 1 68 ? 4.160 3.889 2.123 1.00 0.00 ? 68 HIS A C 6 ATOM 8638 O O . HIS A 1 68 ? 3.849 2.963 1.374 1.00 0.00 ? 68 HIS A O 6 ATOM 8639 C CB . HIS A 1 68 ? 2.919 5.996 1.595 1.00 0.00 ? 68 HIS A CB 6 ATOM 8640 C CG . HIS A 1 68 ? 1.559 6.621 1.635 1.00 0.00 ? 68 HIS A CG 6 ATOM 8641 N ND1 . HIS A 1 68 ? 0.392 5.885 1.626 1.00 0.00 ? 68 HIS A ND1 6 ATOM 8642 C CD2 . HIS A 1 68 ? 1.182 7.920 1.688 1.00 0.00 ? 68 HIS A CD2 6 ATOM 8643 C CE1 . HIS A 1 68 ? -0.643 6.705 1.669 1.00 0.00 ? 68 HIS A CE1 6 ATOM 8644 N NE2 . HIS A 1 68 ? -0.191 7.945 1.708 1.00 0.00 ? 68 HIS A NE2 6 ATOM 8645 H H . HIS A 1 68 ? 3.305 6.379 4.101 1.00 0.00 ? 68 HIS A H 6 ATOM 8646 H HA . HIS A 1 68 ? 2.174 4.356 2.748 1.00 0.00 ? 68 HIS A HA 6 ATOM 8647 H HB2 . HIS A 1 68 ? 3.646 6.773 1.780 1.00 0.00 ? 68 HIS A HB2 6 ATOM 8648 H HB3 . HIS A 1 68 ? 3.072 5.596 0.603 1.00 0.00 ? 68 HIS A HB3 6 ATOM 8649 H HD1 . HIS A 1 68 ? 0.332 4.908 1.591 1.00 0.00 ? 68 HIS A HD1 6 ATOM 8650 H HD2 . HIS A 1 68 ? 1.839 8.778 1.710 1.00 0.00 ? 68 HIS A HD2 6 ATOM 8651 H HE1 . HIS A 1 68 ? -1.682 6.412 1.672 1.00 0.00 ? 68 HIS A HE1 6 ATOM 8652 H HE2 . HIS A 1 68 ? -0.747 8.750 1.658 1.00 0.00 ? 68 HIS A HE2 6 ATOM 8653 N N . MET A 1 69 ? 5.404 4.093 2.544 1.00 0.00 ? 69 MET A N 6 ATOM 8654 C CA . MET A 1 69 ? 6.499 3.218 2.142 1.00 0.00 ? 69 MET A CA 6 ATOM 8655 C C . MET A 1 69 ? 6.772 2.162 3.208 1.00 0.00 ? 69 MET A C 6 ATOM 8656 O O . MET A 1 69 ? 7.009 0.995 2.895 1.00 0.00 ? 69 MET A O 6 ATOM 8657 C CB . MET A 1 69 ? 7.765 4.037 1.882 1.00 0.00 ? 69 MET A CB 6 ATOM 8658 C CG . MET A 1 69 ? 7.795 4.691 0.510 1.00 0.00 ? 69 MET A CG 6 ATOM 8659 S SD . MET A 1 69 ? 7.612 3.500 -0.831 1.00 0.00 ? 69 MET A SD 6 ATOM 8660 C CE . MET A 1 69 ? 8.845 2.283 -0.374 1.00 0.00 ? 69 MET A CE 6 ATOM 8661 H H . MET A 1 69 ? 5.590 4.848 3.140 1.00 0.00 ? 69 MET A H 6 ATOM 8662 H HA . MET A 1 69 ? 6.208 2.722 1.228 1.00 0.00 ? 69 MET A HA 6 ATOM 8663 H HB2 . MET A 1 69 ? 7.836 4.814 2.629 1.00 0.00 ? 69 MET A HB2 6 ATOM 8664 H HB3 . MET A 1 69 ? 8.623 3.388 1.966 1.00 0.00 ? 69 MET A HB3 6 ATOM 8665 H HG2 . MET A 1 69 ? 6.989 5.406 0.449 1.00 0.00 ? 69 MET A HG2 6 ATOM 8666 H HG3 . MET A 1 69 ? 8.738 5.203 0.392 1.00 0.00 ? 69 MET A HG3 6 ATOM 8667 H HE1 . MET A 1 69 ? 9.183 1.763 -1.259 1.00 0.00 ? 69 MET A HE1 6 ATOM 8668 H HE2 . MET A 1 69 ? 9.682 2.779 0.094 1.00 0.00 ? 69 MET A HE2 6 ATOM 8669 H HE3 . MET A 1 69 ? 8.412 1.575 0.317 1.00 0.00 ? 69 MET A HE3 6 ATOM 8670 N N . LYS A 1 70 ? 6.738 2.579 4.469 1.00 0.00 ? 70 LYS A N 6 ATOM 8671 C CA . LYS A 1 70 ? 6.981 1.670 5.583 1.00 0.00 ? 70 LYS A CA 6 ATOM 8672 C C . LYS A 1 70 ? 6.106 0.426 5.471 1.00 0.00 ? 70 LYS A C 6 ATOM 8673 O O . LYS A 1 70 ? 6.509 -0.665 5.872 1.00 0.00 ? 70 LYS A O 6 ATOM 8674 C CB . LYS A 1 70 ? 6.712 2.377 6.914 1.00 0.00 ? 70 LYS A CB 6 ATOM 8675 C CG . LYS A 1 70 ? 5.281 2.230 7.402 1.00 0.00 ? 70 LYS A CG 6 ATOM 8676 C CD . LYS A 1 70 ? 5.108 2.797 8.801 1.00 0.00 ? 70 LYS A CD 6 ATOM 8677 C CE . LYS A 1 70 ? 5.427 1.758 9.866 1.00 0.00 ? 70 LYS A CE 6 ATOM 8678 N NZ . LYS A 1 70 ? 5.720 2.387 11.184 1.00 0.00 ? 70 LYS A NZ 6 ATOM 8679 H H . LYS A 1 70 ? 6.544 3.522 4.656 1.00 0.00 ? 70 LYS A H 6 ATOM 8680 H HA . LYS A 1 70 ? 8.017 1.371 5.548 1.00 0.00 ? 70 LYS A HA 6 ATOM 8681 H HB2 . LYS A 1 70 ? 7.371 1.968 7.665 1.00 0.00 ? 70 LYS A HB2 6 ATOM 8682 H HB3 . LYS A 1 70 ? 6.923 3.431 6.797 1.00 0.00 ? 70 LYS A HB3 6 ATOM 8683 H HG2 . LYS A 1 70 ? 4.623 2.759 6.728 1.00 0.00 ? 70 LYS A HG2 6 ATOM 8684 H HG3 . LYS A 1 70 ? 5.020 1.181 7.413 1.00 0.00 ? 70 LYS A HG3 6 ATOM 8685 H HD2 . LYS A 1 70 ? 5.774 3.638 8.925 1.00 0.00 ? 70 LYS A HD2 6 ATOM 8686 H HD3 . LYS A 1 70 ? 4.085 3.124 8.924 1.00 0.00 ? 70 LYS A HD3 6 ATOM 8687 H HE2 . LYS A 1 70 ? 4.579 1.099 9.972 1.00 0.00 ? 70 LYS A HE2 6 ATOM 8688 H HE3 . LYS A 1 70 ? 6.288 1.189 9.549 1.00 0.00 ? 70 LYS A HE3 6 ATOM 8689 H HZ1 . LYS A 1 70 ? 5.384 1.774 11.954 1.00 0.00 ? 70 LYS A HZ1 6 ATOM 8690 H HZ2 . LYS A 1 70 ? 5.242 3.308 11.255 1.00 0.00 ? 70 LYS A HZ2 6 ATOM 8691 H HZ3 . LYS A 1 70 ? 6.744 2.531 11.291 1.00 0.00 ? 70 LYS A HZ3 6 ATOM 8692 N N . GLN A 1 71 ? 4.908 0.598 4.921 1.00 0.00 ? 71 GLN A N 6 ATOM 8693 C CA . GLN A 1 71 ? 3.977 -0.512 4.755 1.00 0.00 ? 71 GLN A CA 6 ATOM 8694 C C . GLN A 1 71 ? 4.317 -1.326 3.511 1.00 0.00 ? 71 GLN A C 6 ATOM 8695 O O . GLN A 1 71 ? 4.171 -2.549 3.497 1.00 0.00 ? 71 GLN A O 6 ATOM 8696 C CB . GLN A 1 71 ? 2.542 0.008 4.663 1.00 0.00 ? 71 GLN A CB 6 ATOM 8697 C CG . GLN A 1 71 ? 1.871 0.185 6.016 1.00 0.00 ? 71 GLN A CG 6 ATOM 8698 C CD . GLN A 1 71 ? 1.939 -1.066 6.869 1.00 0.00 ? 71 GLN A CD 6 ATOM 8699 O OE1 . GLN A 1 71 ? 1.202 -2.026 6.644 1.00 0.00 ? 71 GLN A OE1 6 ATOM 8700 N NE2 . GLN A 1 71 ? 2.827 -1.061 7.857 1.00 0.00 ? 71 GLN A NE2 6 ATOM 8701 H H . GLN A 1 71 ? 4.644 1.492 4.620 1.00 0.00 ? 71 GLN A H 6 ATOM 8702 H HA . GLN A 1 71 ? 4.065 -1.150 5.622 1.00 0.00 ? 71 GLN A HA 6 ATOM 8703 H HB2 . GLN A 1 71 ? 2.549 0.963 4.161 1.00 0.00 ? 71 GLN A HB2 6 ATOM 8704 H HB3 . GLN A 1 71 ? 1.955 -0.690 4.084 1.00 0.00 ? 71 GLN A HB3 6 ATOM 8705 H HG2 . GLN A 1 71 ? 2.361 0.989 6.544 1.00 0.00 ? 71 GLN A HG2 6 ATOM 8706 H HG3 . GLN A 1 71 ? 0.833 0.440 5.858 1.00 0.00 ? 71 GLN A HG3 6 ATOM 8707 H HE21 . GLN A 1 71 ? 3.379 -0.260 7.978 1.00 0.00 ? 71 GLN A HE21 6 ATOM 8708 H HE22 . GLN A 1 71 ? 2.892 -1.856 8.425 1.00 0.00 ? 71 GLN A HE22 6 ATOM 8709 N N . LEU A 1 72 ? 4.770 -0.640 2.467 1.00 0.00 ? 72 LEU A N 6 ATOM 8710 C CA . LEU A 1 72 ? 5.130 -1.300 1.217 1.00 0.00 ? 72 LEU A CA 6 ATOM 8711 C C . LEU A 1 72 ? 6.242 -2.320 1.440 1.00 0.00 ? 72 LEU A C 6 ATOM 8712 O O . LEU A 1 72 ? 6.131 -3.475 1.026 1.00 0.00 ? 72 LEU A O 6 ATOM 8713 C CB . LEU A 1 72 ? 5.573 -0.265 0.181 1.00 0.00 ? 72 LEU A CB 6 ATOM 8714 C CG . LEU A 1 72 ? 6.335 -0.808 -1.028 1.00 0.00 ? 72 LEU A CG 6 ATOM 8715 C CD1 . LEU A 1 72 ? 5.480 -1.807 -1.793 1.00 0.00 ? 72 LEU A CD1 6 ATOM 8716 C CD2 . LEU A 1 72 ? 6.772 0.329 -1.939 1.00 0.00 ? 72 LEU A CD2 6 ATOM 8717 H H . LEU A 1 72 ? 4.865 0.332 2.538 1.00 0.00 ? 72 LEU A H 6 ATOM 8718 H HA . LEU A 1 72 ? 4.255 -1.813 0.849 1.00 0.00 ? 72 LEU A HA 6 ATOM 8719 H HB2 . LEU A 1 72 ? 4.689 0.237 -0.184 1.00 0.00 ? 72 LEU A HB2 6 ATOM 8720 H HB3 . LEU A 1 72 ? 6.210 0.451 0.681 1.00 0.00 ? 72 LEU A HB3 6 ATOM 8721 H HG . LEU A 1 72 ? 7.222 -1.323 -0.685 1.00 0.00 ? 72 LEU A HG 6 ATOM 8722 H HD11 . LEU A 1 72 ? 5.175 -2.602 -1.130 1.00 0.00 ? 72 LEU A HD11 6 ATOM 8723 H HD12 . LEU A 1 72 ? 6.053 -2.220 -2.610 1.00 0.00 ? 72 LEU A HD12 6 ATOM 8724 H HD13 . LEU A 1 72 ? 4.605 -1.307 -2.183 1.00 0.00 ? 72 LEU A HD13 6 ATOM 8725 H HD21 . LEU A 1 72 ? 7.850 0.338 -2.011 1.00 0.00 ? 72 LEU A HD21 6 ATOM 8726 H HD22 . LEU A 1 72 ? 6.432 1.269 -1.529 1.00 0.00 ? 72 LEU A HD22 6 ATOM 8727 H HD23 . LEU A 1 72 ? 6.346 0.189 -2.921 1.00 0.00 ? 72 LEU A HD23 6 ATOM 8728 N N . LEU A 1 73 ? 7.312 -1.887 2.097 1.00 0.00 ? 73 LEU A N 6 ATOM 8729 C CA . LEU A 1 73 ? 8.443 -2.764 2.378 1.00 0.00 ? 73 LEU A CA 6 ATOM 8730 C C . LEU A 1 73 ? 8.018 -3.940 3.251 1.00 0.00 ? 73 LEU A C 6 ATOM 8731 O O . LEU A 1 73 ? 8.574 -5.035 3.150 1.00 0.00 ? 73 LEU A O 6 ATOM 8732 C CB . LEU A 1 73 ? 9.561 -1.980 3.069 1.00 0.00 ? 73 LEU A CB 6 ATOM 8733 C CG . LEU A 1 73 ? 9.902 -0.620 2.460 1.00 0.00 ? 73 LEU A CG 6 ATOM 8734 C CD1 . LEU A 1 73 ? 11.101 -0.005 3.165 1.00 0.00 ? 73 LEU A CD1 6 ATOM 8735 C CD2 . LEU A 1 73 ? 10.171 -0.755 0.968 1.00 0.00 ? 73 LEU A CD2 6 ATOM 8736 H H . LEU A 1 73 ? 7.342 -0.957 2.402 1.00 0.00 ? 73 LEU A H 6 ATOM 8737 H HA . LEU A 1 73 ? 8.810 -3.144 1.436 1.00 0.00 ? 73 LEU A HA 6 ATOM 8738 H HB2 . LEU A 1 73 ? 9.267 -1.819 4.094 1.00 0.00 ? 73 LEU A HB2 6 ATOM 8739 H HB3 . LEU A 1 73 ? 10.454 -2.589 3.043 1.00 0.00 ? 73 LEU A HB3 6 ATOM 8740 H HG . LEU A 1 73 ? 9.061 0.047 2.589 1.00 0.00 ? 73 LEU A HG 6 ATOM 8741 H HD11 . LEU A 1 73 ? 10.795 0.898 3.673 1.00 0.00 ? 73 LEU A HD11 6 ATOM 8742 H HD12 . LEU A 1 73 ? 11.864 0.232 2.439 1.00 0.00 ? 73 LEU A HD12 6 ATOM 8743 H HD13 . LEU A 1 73 ? 11.495 -0.708 3.884 1.00 0.00 ? 73 LEU A HD13 6 ATOM 8744 H HD21 . LEU A 1 73 ? 11.145 -1.199 0.817 1.00 0.00 ? 73 LEU A HD21 6 ATOM 8745 H HD22 . LEU A 1 73 ? 10.146 0.222 0.507 1.00 0.00 ? 73 LEU A HD22 6 ATOM 8746 H HD23 . LEU A 1 73 ? 9.416 -1.385 0.522 1.00 0.00 ? 73 LEU A HD23 6 ATOM 8747 N N . LEU A 1 74 ? 7.027 -3.708 4.105 1.00 0.00 ? 74 LEU A N 6 ATOM 8748 C CA . LEU A 1 74 ? 6.524 -4.750 4.994 1.00 0.00 ? 74 LEU A CA 6 ATOM 8749 C C . LEU A 1 74 ? 5.646 -5.739 4.233 1.00 0.00 ? 74 LEU A C 6 ATOM 8750 O O . LEU A 1 74 ? 5.692 -6.944 4.482 1.00 0.00 ? 74 LEU A O 6 ATOM 8751 C CB . LEU A 1 74 ? 5.731 -4.127 6.144 1.00 0.00 ? 74 LEU A CB 6 ATOM 8752 C CG . LEU A 1 74 ? 6.539 -3.737 7.382 1.00 0.00 ? 74 LEU A CG 6 ATOM 8753 C CD1 . LEU A 1 74 ? 5.681 -2.935 8.349 1.00 0.00 ? 74 LEU A CD1 6 ATOM 8754 C CD2 . LEU A 1 74 ? 7.100 -4.976 8.066 1.00 0.00 ? 74 LEU A CD2 6 ATOM 8755 H H . LEU A 1 74 ? 6.623 -2.817 4.139 1.00 0.00 ? 74 LEU A H 6 ATOM 8756 H HA . LEU A 1 74 ? 7.374 -5.279 5.398 1.00 0.00 ? 74 LEU A HA 6 ATOM 8757 H HB2 . LEU A 1 74 ? 5.250 -3.237 5.770 1.00 0.00 ? 74 LEU A HB2 6 ATOM 8758 H HB3 . LEU A 1 74 ? 4.979 -4.840 6.450 1.00 0.00 ? 74 LEU A HB3 6 ATOM 8759 H HG . LEU A 1 74 ? 7.371 -3.115 7.081 1.00 0.00 ? 74 LEU A HG 6 ATOM 8760 H HD11 . LEU A 1 74 ? 5.381 -2.010 7.881 1.00 0.00 ? 74 LEU A HD11 6 ATOM 8761 H HD12 . LEU A 1 74 ? 6.251 -2.719 9.241 1.00 0.00 ? 74 LEU A HD12 6 ATOM 8762 H HD13 . LEU A 1 74 ? 4.804 -3.508 8.612 1.00 0.00 ? 74 LEU A HD13 6 ATOM 8763 H HD21 . LEU A 1 74 ? 6.285 -5.600 8.402 1.00 0.00 ? 74 LEU A HD21 6 ATOM 8764 H HD22 . LEU A 1 74 ? 7.699 -4.679 8.914 1.00 0.00 ? 74 LEU A HD22 6 ATOM 8765 H HD23 . LEU A 1 74 ? 7.711 -5.527 7.367 1.00 0.00 ? 74 LEU A HD23 6 ATOM 8766 N N . ILE A 1 75 ? 4.850 -5.221 3.304 1.00 0.00 ? 75 ILE A N 6 ATOM 8767 C CA . ILE A 1 75 ? 3.965 -6.059 2.505 1.00 0.00 ? 75 ILE A CA 6 ATOM 8768 C C . ILE A 1 75 ? 4.755 -6.901 1.509 1.00 0.00 ? 75 ILE A C 6 ATOM 8769 O O . ILE A 1 75 ? 4.513 -8.099 1.364 1.00 0.00 ? 75 ILE A O 6 ATOM 8770 C CB . ILE A 1 75 ? 2.930 -5.214 1.738 1.00 0.00 ? 75 ILE A CB 6 ATOM 8771 C CG1 . ILE A 1 75 ? 1.963 -4.542 2.715 1.00 0.00 ? 75 ILE A CG1 6 ATOM 8772 C CG2 . ILE A 1 75 ? 2.171 -6.080 0.744 1.00 0.00 ? 75 ILE A CG2 6 ATOM 8773 C CD1 . ILE A 1 75 ? 1.257 -3.337 2.134 1.00 0.00 ? 75 ILE A CD1 6 ATOM 8774 H H . ILE A 1 75 ? 4.859 -4.253 3.152 1.00 0.00 ? 75 ILE A H 6 ATOM 8775 H HA . ILE A 1 75 ? 3.434 -6.719 3.176 1.00 0.00 ? 75 ILE A HA 6 ATOM 8776 H HB . ILE A 1 75 ? 3.459 -4.453 1.185 1.00 0.00 ? 75 ILE A HB 6 ATOM 8777 H HG12 . ILE A 1 75 ? 1.211 -5.254 3.015 1.00 0.00 ? 75 ILE A HG12 6 ATOM 8778 H HG13 . ILE A 1 75 ? 2.513 -4.217 3.587 1.00 0.00 ? 75 ILE A HG13 6 ATOM 8779 H HG21 . ILE A 1 75 ? 1.115 -6.041 0.967 1.00 0.00 ? 75 ILE A HG21 6 ATOM 8780 H HG22 . ILE A 1 75 ? 2.340 -5.712 -0.257 1.00 0.00 ? 75 ILE A HG22 6 ATOM 8781 H HG23 . ILE A 1 75 ? 2.517 -7.100 0.817 1.00 0.00 ? 75 ILE A HG23 6 ATOM 8782 H HD11 . ILE A 1 75 ? 0.277 -3.245 2.578 1.00 0.00 ? 75 ILE A HD11 6 ATOM 8783 H HD12 . ILE A 1 75 ? 1.832 -2.447 2.340 1.00 0.00 ? 75 ILE A HD12 6 ATOM 8784 H HD13 . ILE A 1 75 ? 1.157 -3.460 1.065 1.00 0.00 ? 75 ILE A HD13 6 ATOM 8785 N N . GLN A 1 76 ? 5.703 -6.266 0.826 1.00 0.00 ? 76 GLN A N 6 ATOM 8786 C CA . GLN A 1 76 ? 6.530 -6.957 -0.155 1.00 0.00 ? 76 GLN A CA 6 ATOM 8787 C C . GLN A 1 76 ? 7.150 -8.215 0.444 1.00 0.00 ? 76 GLN A C 6 ATOM 8788 O O . GLN A 1 76 ? 6.948 -9.319 -0.061 1.00 0.00 ? 76 GLN A O 6 ATOM 8789 C CB . GLN A 1 76 ? 7.630 -6.028 -0.671 1.00 0.00 ? 76 GLN A CB 6 ATOM 8790 C CG . GLN A 1 76 ? 7.193 -5.155 -1.836 1.00 0.00 ? 76 GLN A CG 6 ATOM 8791 C CD . GLN A 1 76 ? 8.365 -4.601 -2.622 1.00 0.00 ? 76 GLN A CD 6 ATOM 8792 O OE1 . GLN A 1 76 ? 8.819 -5.209 -3.593 1.00 0.00 ? 76 GLN A OE1 6 ATOM 8793 N NE2 . GLN A 1 76 ? 8.862 -3.442 -2.208 1.00 0.00 ? 76 GLN A NE2 6 ATOM 8794 H H . GLN A 1 76 ? 5.848 -5.310 0.986 1.00 0.00 ? 76 GLN A H 6 ATOM 8795 H HA . GLN A 1 76 ? 5.896 -7.242 -0.981 1.00 0.00 ? 76 GLN A HA 6 ATOM 8796 H HB2 . GLN A 1 76 ? 7.948 -5.384 0.135 1.00 0.00 ? 76 GLN A HB2 6 ATOM 8797 H HB3 . GLN A 1 76 ? 8.469 -6.628 -0.994 1.00 0.00 ? 76 GLN A HB3 6 ATOM 8798 H HG2 . GLN A 1 76 ? 6.580 -5.745 -2.501 1.00 0.00 ? 76 GLN A HG2 6 ATOM 8799 H HG3 . GLN A 1 76 ? 6.613 -4.329 -1.452 1.00 0.00 ? 76 GLN A HG3 6 ATOM 8800 H HE21 . GLN A 1 76 ? 8.450 -3.016 -1.426 1.00 0.00 ? 76 GLN A HE21 6 ATOM 8801 H HE22 . GLN A 1 76 ? 9.620 -3.062 -2.697 1.00 0.00 ? 76 GLN A HE22 6 ATOM 8802 N N . GLU A 1 77 ? 7.905 -8.040 1.524 1.00 0.00 ? 77 GLU A N 6 ATOM 8803 C CA . GLU A 1 77 ? 8.555 -9.162 2.191 1.00 0.00 ? 77 GLU A CA 6 ATOM 8804 C C . GLU A 1 77 ? 7.530 -10.208 2.619 1.00 0.00 ? 77 GLU A C 6 ATOM 8805 O O . GLU A 1 77 ? 7.794 -11.410 2.564 1.00 0.00 ? 77 GLU A O 6 ATOM 8806 C CB . GLU A 1 77 ? 9.340 -8.673 3.410 1.00 0.00 ? 77 GLU A CB 6 ATOM 8807 C CG . GLU A 1 77 ? 8.487 -7.937 4.429 1.00 0.00 ? 77 GLU A CG 6 ATOM 8808 C CD . GLU A 1 77 ? 9.315 -7.126 5.407 1.00 0.00 ? 77 GLU A CD 6 ATOM 8809 O OE1 . GLU A 1 77 ? 10.147 -6.314 4.950 1.00 0.00 ? 77 GLU A OE1 6 ATOM 8810 O OE2 . GLU A 1 77 ? 9.131 -7.304 6.629 1.00 0.00 ? 77 GLU A OE2 6 ATOM 8811 H H . GLU A 1 77 ? 8.028 -7.135 1.880 1.00 0.00 ? 77 GLU A H 6 ATOM 8812 H HA . GLU A 1 77 ? 9.241 -9.612 1.490 1.00 0.00 ? 77 GLU A HA 6 ATOM 8813 H HB2 . GLU A 1 77 ? 9.791 -9.525 3.898 1.00 0.00 ? 77 GLU A HB2 6 ATOM 8814 H HB3 . GLU A 1 77 ? 10.121 -8.006 3.076 1.00 0.00 ? 77 GLU A HB3 6 ATOM 8815 H HG2 . GLU A 1 77 ? 7.821 -7.268 3.905 1.00 0.00 ? 77 GLU A HG2 6 ATOM 8816 H HG3 . GLU A 1 77 ? 7.907 -8.659 4.984 1.00 0.00 ? 77 GLU A HG3 6 ATOM 8817 N N . ARG A 1 78 ? 6.360 -9.743 3.044 1.00 0.00 ? 78 ARG A N 6 ATOM 8818 C CA . ARG A 1 78 ? 5.296 -10.638 3.483 1.00 0.00 ? 78 ARG A CA 6 ATOM 8819 C C . ARG A 1 78 ? 4.741 -11.439 2.309 1.00 0.00 ? 78 ARG A C 6 ATOM 8820 O O . ARG A 1 78 ? 4.073 -12.455 2.499 1.00 0.00 ? 78 ARG A O 6 ATOM 8821 C CB . ARG A 1 78 ? 4.172 -9.841 4.147 1.00 0.00 ? 78 ARG A CB 6 ATOM 8822 C CG . ARG A 1 78 ? 4.504 -9.376 5.555 1.00 0.00 ? 78 ARG A CG 6 ATOM 8823 C CD . ARG A 1 78 ? 4.534 -10.540 6.533 1.00 0.00 ? 78 ARG A CD 6 ATOM 8824 N NE . ARG A 1 78 ? 3.210 -10.835 7.075 1.00 0.00 ? 78 ARG A NE 6 ATOM 8825 C CZ . ARG A 1 78 ? 2.357 -11.682 6.510 1.00 0.00 ? 78 ARG A CZ 6 ATOM 8826 N NH1 . ARG A 1 78 ? 2.688 -12.316 5.393 1.00 0.00 ? 78 ARG A NH1 6 ATOM 8827 N NH2 . ARG A 1 78 ? 1.171 -11.898 7.063 1.00 0.00 ? 78 ARG A NH2 6 ATOM 8828 H H . ARG A 1 78 ? 6.209 -8.775 3.065 1.00 0.00 ? 78 ARG A H 6 ATOM 8829 H HA . ARG A 1 78 ? 5.715 -11.323 4.205 1.00 0.00 ? 78 ARG A HA 6 ATOM 8830 H HB2 . ARG A 1 78 ? 3.960 -8.969 3.545 1.00 0.00 ? 78 ARG A HB2 6 ATOM 8831 H HB3 . ARG A 1 78 ? 3.288 -10.459 4.194 1.00 0.00 ? 78 ARG A HB3 6 ATOM 8832 H HG2 . ARG A 1 78 ? 5.474 -8.901 5.548 1.00 0.00 ? 78 ARG A HG2 6 ATOM 8833 H HG3 . ARG A 1 78 ? 3.756 -8.667 5.876 1.00 0.00 ? 78 ARG A HG3 6 ATOM 8834 H HD2 . ARG A 1 78 ? 4.905 -11.415 6.020 1.00 0.00 ? 78 ARG A HD2 6 ATOM 8835 H HD3 . ARG A 1 78 ? 5.199 -10.292 7.347 1.00 0.00 ? 78 ARG A HD3 6 ATOM 8836 H HE . ARG A 1 78 ? 2.945 -10.378 7.900 1.00 0.00 ? 78 ARG A HE 6 ATOM 8837 H HH11 . ARG A 1 78 ? 3.582 -12.156 4.975 1.00 0.00 ? 78 ARG A HH11 6 ATOM 8838 H HH12 . ARG A 1 78 ? 2.045 -12.954 4.971 1.00 0.00 ? 78 ARG A HH12 6 ATOM 8839 H HH21 . ARG A 1 78 ? 0.918 -11.422 7.905 1.00 0.00 ? 78 ARG A HH21 6 ATOM 8840 H HH22 . ARG A 1 78 ? 0.529 -12.536 6.637 1.00 0.00 ? 78 ARG A HH22 6 ATOM 8841 N N . TRP A 1 79 ? 5.023 -10.975 1.097 1.00 0.00 ? 79 TRP A N 6 ATOM 8842 C CA . TRP A 1 79 ? 4.552 -11.649 -0.108 1.00 0.00 ? 79 TRP A CA 6 ATOM 8843 C C . TRP A 1 79 ? 5.505 -12.767 -0.515 1.00 0.00 ? 79 TRP A C 6 ATOM 8844 O O . TRP A 1 79 ? 5.103 -13.924 -0.641 1.00 0.00 ? 79 TRP A O 6 ATOM 8845 C CB . TRP A 1 79 ? 4.405 -10.645 -1.253 1.00 0.00 ? 79 TRP A CB 6 ATOM 8846 C CG . TRP A 1 79 ? 3.732 -11.220 -2.463 1.00 0.00 ? 79 TRP A CG 6 ATOM 8847 C CD1 . TRP A 1 79 ? 2.970 -12.352 -2.517 1.00 0.00 ? 79 TRP A CD1 6 ATOM 8848 C CD2 . TRP A 1 79 ? 3.763 -10.690 -3.793 1.00 0.00 ? 79 TRP A CD2 6 ATOM 8849 N NE1 . TRP A 1 79 ? 2.526 -12.558 -3.801 1.00 0.00 ? 79 TRP A NE1 6 ATOM 8850 C CE2 . TRP A 1 79 ? 2.997 -11.552 -4.602 1.00 0.00 ? 79 TRP A CE2 6 ATOM 8851 C CE3 . TRP A 1 79 ? 4.361 -9.571 -4.378 1.00 0.00 ? 79 TRP A CE3 6 ATOM 8852 C CZ2 . TRP A 1 79 ? 2.817 -11.329 -5.965 1.00 0.00 ? 79 TRP A CZ2 6 ATOM 8853 C CZ3 . TRP A 1 79 ? 4.181 -9.351 -5.731 1.00 0.00 ? 79 TRP A CZ3 6 ATOM 8854 C CH2 . TRP A 1 79 ? 3.414 -10.225 -6.511 1.00 0.00 ? 79 TRP A CH2 6 ATOM 8855 H H . TRP A 1 79 ? 5.561 -10.160 1.010 1.00 0.00 ? 79 TRP A H 6 ATOM 8856 H HA . TRP A 1 79 ? 3.585 -12.077 0.110 1.00 0.00 ? 79 TRP A HA 6 ATOM 8857 H HB2 . TRP A 1 79 ? 3.819 -9.804 -0.914 1.00 0.00 ? 79 TRP A HB2 6 ATOM 8858 H HB3 . TRP A 1 79 ? 5.385 -10.301 -1.548 1.00 0.00 ? 79 TRP A HB3 6 ATOM 8859 H HD1 . TRP A 1 79 ? 2.759 -12.984 -1.668 1.00 0.00 ? 79 TRP A HD1 6 ATOM 8860 H HE1 . TRP A 1 79 ? 1.961 -13.304 -4.094 1.00 0.00 ? 79 TRP A HE1 6 ATOM 8861 H HE3 . TRP A 1 79 ? 4.955 -8.885 -3.793 1.00 0.00 ? 79 TRP A HE3 6 ATOM 8862 H HZ2 . TRP A 1 79 ? 2.228 -11.993 -6.580 1.00 0.00 ? 79 TRP A HZ2 6 ATOM 8863 H HZ3 . TRP A 1 79 ? 4.636 -8.491 -6.201 1.00 0.00 ? 79 TRP A HZ3 6 ATOM 8864 H HH2 . TRP A 1 79 ? 3.300 -10.014 -7.564 1.00 0.00 ? 79 TRP A HH2 6 ATOM 8865 N N . LYS A 1 80 ? 6.770 -12.416 -0.718 1.00 0.00 ? 80 LYS A N 6 ATOM 8866 C CA . LYS A 1 80 ? 7.782 -13.390 -1.109 1.00 0.00 ? 80 LYS A CA 6 ATOM 8867 C C . LYS A 1 80 ? 7.821 -14.557 -0.128 1.00 0.00 ? 80 LYS A C 6 ATOM 8868 O O . LYS A 1 80 ? 8.202 -15.671 -0.489 1.00 0.00 ? 80 LYS A O 6 ATOM 8869 C CB . LYS A 1 80 ? 9.158 -12.725 -1.183 1.00 0.00 ? 80 LYS A CB 6 ATOM 8870 C CG . LYS A 1 80 ? 9.657 -12.209 0.156 1.00 0.00 ? 80 LYS A CG 6 ATOM 8871 C CD . LYS A 1 80 ? 11.161 -11.991 0.144 1.00 0.00 ? 80 LYS A CD 6 ATOM 8872 C CE . LYS A 1 80 ? 11.705 -11.785 1.550 1.00 0.00 ? 80 LYS A CE 6 ATOM 8873 N NZ . LYS A 1 80 ? 13.163 -11.482 1.541 1.00 0.00 ? 80 LYS A NZ 6 ATOM 8874 H H . LYS A 1 80 ? 7.030 -11.477 -0.601 1.00 0.00 ? 80 LYS A H 6 ATOM 8875 H HA . LYS A 1 80 ? 7.520 -13.766 -2.087 1.00 0.00 ? 80 LYS A HA 6 ATOM 8876 H HB2 . LYS A 1 80 ? 9.872 -13.444 -1.557 1.00 0.00 ? 80 LYS A HB2 6 ATOM 8877 H HB3 . LYS A 1 80 ? 9.106 -11.892 -1.869 1.00 0.00 ? 80 LYS A HB3 6 ATOM 8878 H HG2 . LYS A 1 80 ? 9.170 -11.270 0.374 1.00 0.00 ? 80 LYS A HG2 6 ATOM 8879 H HG3 . LYS A 1 80 ? 9.413 -12.930 0.923 1.00 0.00 ? 80 LYS A HG3 6 ATOM 8880 H HD2 . LYS A 1 80 ? 11.638 -12.856 -0.291 1.00 0.00 ? 80 LYS A HD2 6 ATOM 8881 H HD3 . LYS A 1 80 ? 11.384 -11.117 -0.451 1.00 0.00 ? 80 LYS A HD3 6 ATOM 8882 H HE2 . LYS A 1 80 ? 11.178 -10.963 2.009 1.00 0.00 ? 80 LYS A HE2 6 ATOM 8883 H HE3 . LYS A 1 80 ? 11.536 -12.685 2.122 1.00 0.00 ? 80 LYS A HE3 6 ATOM 8884 H HZ1 . LYS A 1 80 ? 13.680 -12.229 1.034 1.00 0.00 ? 80 LYS A HZ1 6 ATOM 8885 H HZ2 . LYS A 1 80 ? 13.522 -11.427 2.515 1.00 0.00 ? 80 LYS A HZ2 6 ATOM 8886 H HZ3 . LYS A 1 80 ? 13.336 -10.573 1.067 1.00 0.00 ? 80 LYS A HZ3 6 ATOM 8887 N N . ARG A 1 81 ? 7.424 -14.295 1.113 1.00 0.00 ? 81 ARG A N 6 ATOM 8888 C CA . ARG A 1 81 ? 7.415 -15.324 2.146 1.00 0.00 ? 81 ARG A CA 6 ATOM 8889 C C . ARG A 1 81 ? 6.196 -16.231 1.998 1.00 0.00 ? 81 ARG A C 6 ATOM 8890 O O . ARG A 1 81 ? 6.289 -17.445 2.176 1.00 0.00 ? 81 ARG A O 6 ATOM 8891 C CB . ARG A 1 81 ? 7.421 -14.683 3.535 1.00 0.00 ? 81 ARG A CB 6 ATOM 8892 C CG . ARG A 1 81 ? 8.775 -14.127 3.943 1.00 0.00 ? 81 ARG A CG 6 ATOM 8893 C CD . ARG A 1 81 ? 8.695 -13.380 5.265 1.00 0.00 ? 81 ARG A CD 6 ATOM 8894 N NE . ARG A 1 81 ? 9.862 -12.529 5.485 1.00 0.00 ? 81 ARG A NE 6 ATOM 8895 C CZ . ARG A 1 81 ? 11.078 -13.000 5.735 1.00 0.00 ? 81 ARG A CZ 6 ATOM 8896 N NH1 . ARG A 1 81 ? 11.286 -14.308 5.797 1.00 0.00 ? 81 ARG A NH1 6 ATOM 8897 N NH2 . ARG A 1 81 ? 12.089 -12.162 5.924 1.00 0.00 ? 81 ARG A NH2 6 ATOM 8898 H H . ARG A 1 81 ? 7.132 -13.387 1.340 1.00 0.00 ? 81 ARG A H 6 ATOM 8899 H HA . ARG A 1 81 ? 8.308 -15.919 2.030 1.00 0.00 ? 81 ARG A HA 6 ATOM 8900 H HB2 . ARG A 1 81 ? 6.705 -13.873 3.548 1.00 0.00 ? 81 ARG A HB2 6 ATOM 8901 H HB3 . ARG A 1 81 ? 7.126 -15.425 4.262 1.00 0.00 ? 81 ARG A HB3 6 ATOM 8902 H HG2 . ARG A 1 81 ? 9.473 -14.944 4.046 1.00 0.00 ? 81 ARG A HG2 6 ATOM 8903 H HG3 . ARG A 1 81 ? 9.121 -13.449 3.177 1.00 0.00 ? 81 ARG A HG3 6 ATOM 8904 H HD2 . ARG A 1 81 ? 7.808 -12.764 5.263 1.00 0.00 ? 81 ARG A HD2 6 ATOM 8905 H HD3 . ARG A 1 81 ? 8.630 -14.100 6.067 1.00 0.00 ? 81 ARG A HD3 6 ATOM 8906 H HE . ARG A 1 81 ? 9.730 -11.559 5.443 1.00 0.00 ? 81 ARG A HE 6 ATOM 8907 H HH11 . ARG A 1 81 ? 10.526 -14.942 5.654 1.00 0.00 ? 81 ARG A HH11 6 ATOM 8908 H HH12 . ARG A 1 81 ? 12.204 -14.660 5.984 1.00 0.00 ? 81 ARG A HH12 6 ATOM 8909 H HH21 . ARG A 1 81 ? 11.936 -11.175 5.878 1.00 0.00 ? 81 ARG A HH21 6 ATOM 8910 H HH22 . ARG A 1 81 ? 13.004 -12.517 6.112 1.00 0.00 ? 81 ARG A HH22 6 ATOM 8911 N N . ALA A 1 82 ? 5.056 -15.632 1.671 1.00 0.00 ? 82 ALA A N 6 ATOM 8912 C CA . ALA A 1 82 ? 3.820 -16.386 1.498 1.00 0.00 ? 82 ALA A CA 6 ATOM 8913 C C . ALA A 1 82 ? 3.950 -17.400 0.367 1.00 0.00 ? 82 ALA A C 6 ATOM 8914 O O . ALA A 1 82 ? 3.432 -18.514 0.455 1.00 0.00 ? 82 ALA A O 6 ATOM 8915 C CB . ALA A 1 82 ? 2.658 -15.440 1.231 1.00 0.00 ? 82 ALA A CB 6 ATOM 8916 H H . ALA A 1 82 ? 5.045 -14.661 1.542 1.00 0.00 ? 82 ALA A H 6 ATOM 8917 H HA . ALA A 1 82 ? 3.618 -16.913 2.419 1.00 0.00 ? 82 ALA A HA 6 ATOM 8918 H HB1 . ALA A 1 82 ? 1.785 -15.784 1.766 1.00 0.00 ? 82 ALA A HB1 6 ATOM 8919 H HB2 . ALA A 1 82 ? 2.918 -14.447 1.566 1.00 0.00 ? 82 ALA A HB2 6 ATOM 8920 H HB3 . ALA A 1 82 ? 2.447 -15.419 0.172 1.00 0.00 ? 82 ALA A HB3 6 ATOM 8921 N N . LYS A 1 83 ? 4.643 -17.008 -0.697 1.00 0.00 ? 83 LYS A N 6 ATOM 8922 C CA . LYS A 1 83 ? 4.842 -17.883 -1.846 1.00 0.00 ? 83 LYS A CA 6 ATOM 8923 C C . LYS A 1 83 ? 5.091 -19.320 -1.400 1.00 0.00 ? 83 LYS A C 6 ATOM 8924 O O . LYS A 1 83 ? 4.501 -20.258 -1.936 1.00 0.00 ? 83 LYS A O 6 ATOM 8925 C CB . LYS A 1 83 ? 6.018 -17.389 -2.691 1.00 0.00 ? 83 LYS A CB 6 ATOM 8926 C CG . LYS A 1 83 ? 5.771 -16.044 -3.351 1.00 0.00 ? 83 LYS A CG 6 ATOM 8927 C CD . LYS A 1 83 ? 4.900 -16.182 -4.589 1.00 0.00 ? 83 LYS A CD 6 ATOM 8928 C CE . LYS A 1 83 ? 5.213 -15.101 -5.613 1.00 0.00 ? 83 LYS A CE 6 ATOM 8929 N NZ . LYS A 1 83 ? 4.995 -13.735 -5.062 1.00 0.00 ? 83 LYS A NZ 6 ATOM 8930 H H . LYS A 1 83 ? 5.032 -16.108 -0.708 1.00 0.00 ? 83 LYS A H 6 ATOM 8931 H HA . LYS A 1 83 ? 3.944 -17.855 -2.444 1.00 0.00 ? 83 LYS A HA 6 ATOM 8932 H HB2 . LYS A 1 83 ? 6.889 -17.301 -2.059 1.00 0.00 ? 83 LYS A HB2 6 ATOM 8933 H HB3 . LYS A 1 83 ? 6.219 -18.115 -3.466 1.00 0.00 ? 83 LYS A HB3 6 ATOM 8934 H HG2 . LYS A 1 83 ? 5.275 -15.393 -2.646 1.00 0.00 ? 83 LYS A HG2 6 ATOM 8935 H HG3 . LYS A 1 83 ? 6.720 -15.613 -3.636 1.00 0.00 ? 83 LYS A HG3 6 ATOM 8936 H HD2 . LYS A 1 83 ? 5.077 -17.148 -5.037 1.00 0.00 ? 83 LYS A HD2 6 ATOM 8937 H HD3 . LYS A 1 83 ? 3.862 -16.101 -4.299 1.00 0.00 ? 83 LYS A HD3 6 ATOM 8938 H HE2 . LYS A 1 83 ? 6.244 -15.198 -5.916 1.00 0.00 ? 83 LYS A HE2 6 ATOM 8939 H HE3 . LYS A 1 83 ? 4.571 -15.241 -6.471 1.00 0.00 ? 83 LYS A HE3 6 ATOM 8940 H HZ1 . LYS A 1 83 ? 5.869 -13.175 -5.141 1.00 0.00 ? 83 LYS A HZ1 6 ATOM 8941 H HZ2 . LYS A 1 83 ? 4.724 -13.793 -4.060 1.00 0.00 ? 83 LYS A HZ2 6 ATOM 8942 H HZ3 . LYS A 1 83 ? 4.239 -13.253 -5.589 1.00 0.00 ? 83 LYS A HZ3 6 ATOM 8943 N N . ARG A 1 84 ? 5.967 -19.485 -0.414 1.00 0.00 ? 84 ARG A N 6 ATOM 8944 C CA . ARG A 1 84 ? 6.293 -20.808 0.105 1.00 0.00 ? 84 ARG A CA 6 ATOM 8945 C C . ARG A 1 84 ? 5.306 -21.225 1.190 1.00 0.00 ? 84 ARG A C 6 ATOM 8946 O O . ARG A 1 84 ? 4.581 -22.209 1.038 1.00 0.00 ? 84 ARG A O 6 ATOM 8947 C CB . ARG A 1 84 ? 7.718 -20.823 0.663 1.00 0.00 ? 84 ARG A CB 6 ATOM 8948 C CG . ARG A 1 84 ? 7.931 -21.854 1.760 1.00 0.00 ? 84 ARG A CG 6 ATOM 8949 C CD . ARG A 1 84 ? 9.390 -22.271 1.857 1.00 0.00 ? 84 ARG A CD 6 ATOM 8950 N NE . ARG A 1 84 ? 9.537 -23.639 2.345 1.00 0.00 ? 84 ARG A NE 6 ATOM 8951 C CZ . ARG A 1 84 ? 10.653 -24.108 2.893 1.00 0.00 ? 84 ARG A CZ 6 ATOM 8952 N NH1 . ARG A 1 84 ? 11.713 -23.322 3.022 1.00 0.00 ? 84 ARG A NH1 6 ATOM 8953 N NH2 . ARG A 1 84 ? 10.709 -25.365 3.313 1.00 0.00 ? 84 ARG A NH2 6 ATOM 8954 H H . ARG A 1 84 ? 6.405 -18.699 -0.026 1.00 0.00 ? 84 ARG A H 6 ATOM 8955 H HA . ARG A 1 84 ? 6.229 -21.510 -0.713 1.00 0.00 ? 84 ARG A HA 6 ATOM 8956 H HB2 . ARG A 1 84 ? 8.405 -21.039 -0.142 1.00 0.00 ? 84 ARG A HB2 6 ATOM 8957 H HB3 . ARG A 1 84 ? 7.943 -19.848 1.067 1.00 0.00 ? 84 ARG A HB3 6 ATOM 8958 H HG2 . ARG A 1 84 ? 7.626 -21.429 2.705 1.00 0.00 ? 84 ARG A HG2 6 ATOM 8959 H HG3 . ARG A 1 84 ? 7.330 -22.725 1.544 1.00 0.00 ? 84 ARG A HG3 6 ATOM 8960 H HD2 . ARG A 1 84 ? 9.837 -22.198 0.877 1.00 0.00 ? 84 ARG A HD2 6 ATOM 8961 H HD3 . ARG A 1 84 ? 9.897 -21.600 2.534 1.00 0.00 ? 84 ARG A HD3 6 ATOM 8962 H HE . ARG A 1 84 ? 8.766 -24.237 2.260 1.00 0.00 ? 84 ARG A HE 6 ATOM 8963 H HH11 . ARG A 1 84 ? 11.673 -22.374 2.707 1.00 0.00 ? 84 ARG A HH11 6 ATOM 8964 H HH12 . ARG A 1 84 ? 12.551 -23.677 3.436 1.00 0.00 ? 84 ARG A HH12 6 ATOM 8965 H HH21 . ARG A 1 84 ? 9.912 -25.960 3.218 1.00 0.00 ? 84 ARG A HH21 6 ATOM 8966 H HH22 . ARG A 1 84 ? 11.549 -25.717 3.725 1.00 0.00 ? 84 ARG A HH22 6 ATOM 8967 N N . GLU A 1 85 ? 5.283 -20.471 2.285 1.00 0.00 ? 85 GLU A N 6 ATOM 8968 C CA . GLU A 1 85 ? 4.385 -20.764 3.395 1.00 0.00 ? 85 GLU A CA 6 ATOM 8969 C C . GLU A 1 85 ? 3.025 -21.234 2.886 1.00 0.00 ? 85 GLU A C 6 ATOM 8970 O O . GLU A 1 85 ? 2.556 -22.313 3.246 1.00 0.00 ? 85 GLU A O 6 ATOM 8971 C CB . GLU A 1 85 ? 4.211 -19.528 4.280 1.00 0.00 ? 85 GLU A CB 6 ATOM 8972 C CG . GLU A 1 85 ? 5.515 -19.008 4.862 1.00 0.00 ? 85 GLU A CG 6 ATOM 8973 C CD . GLU A 1 85 ? 5.860 -19.655 6.190 1.00 0.00 ? 85 GLU A CD 6 ATOM 8974 O OE1 . GLU A 1 85 ? 5.557 -20.854 6.363 1.00 0.00 ? 85 GLU A OE1 6 ATOM 8975 O OE2 . GLU A 1 85 ? 6.433 -18.961 7.056 1.00 0.00 ? 85 GLU A OE2 6 ATOM 8976 H H . GLU A 1 85 ? 5.885 -19.700 2.347 1.00 0.00 ? 85 GLU A H 6 ATOM 8977 H HA . GLU A 1 85 ? 4.829 -21.555 3.981 1.00 0.00 ? 85 GLU A HA 6 ATOM 8978 H HB2 . GLU A 1 85 ? 3.763 -18.740 3.693 1.00 0.00 ? 85 GLU A HB2 6 ATOM 8979 H HB3 . GLU A 1 85 ? 3.550 -19.775 5.097 1.00 0.00 ? 85 GLU A HB3 6 ATOM 8980 H HG2 . GLU A 1 85 ? 6.313 -19.210 4.163 1.00 0.00 ? 85 GLU A HG2 6 ATOM 8981 H HG3 . GLU A 1 85 ? 5.429 -17.942 5.010 1.00 0.00 ? 85 GLU A HG3 6 ATOM 8982 N N . GLU A 1 86 ? 2.398 -20.415 2.048 1.00 0.00 ? 86 GLU A N 6 ATOM 8983 C CA . GLU A 1 86 ? 1.092 -20.746 1.491 1.00 0.00 ? 86 GLU A CA 6 ATOM 8984 C C . GLU A 1 86 ? 1.169 -22.008 0.637 1.00 0.00 ? 86 GLU A C 6 ATOM 8985 O O . GLU A 1 86 ? 0.265 -22.843 0.662 1.00 0.00 ? 86 GLU A O 6 ATOM 8986 C CB . GLU A 1 86 ? 0.560 -19.582 0.653 1.00 0.00 ? 86 GLU A CB 6 ATOM 8987 C CG . GLU A 1 86 ? -0.564 -19.974 -0.291 1.00 0.00 ? 86 GLU A CG 6 ATOM 8988 C CD . GLU A 1 86 ? -1.521 -18.830 -0.566 1.00 0.00 ? 86 GLU A CD 6 ATOM 8989 O OE1 . GLU A 1 86 ? -1.146 -17.916 -1.331 1.00 0.00 ? 86 GLU A OE1 6 ATOM 8990 O OE2 . GLU A 1 86 ? -2.642 -18.849 -0.018 1.00 0.00 ? 86 GLU A OE2 6 ATOM 8991 H H . GLU A 1 86 ? 2.824 -19.568 1.799 1.00 0.00 ? 86 GLU A H 6 ATOM 8992 H HA . GLU A 1 86 ? 0.416 -20.923 2.314 1.00 0.00 ? 86 GLU A HA 6 ATOM 8993 H HB2 . GLU A 1 86 ? 0.194 -18.813 1.317 1.00 0.00 ? 86 GLU A HB2 6 ATOM 8994 H HB3 . GLU A 1 86 ? 1.371 -19.179 0.064 1.00 0.00 ? 86 GLU A HB3 6 ATOM 8995 H HG2 . GLU A 1 86 ? -0.135 -20.298 -1.227 1.00 0.00 ? 86 GLU A HG2 6 ATOM 8996 H HG3 . GLU A 1 86 ? -1.119 -20.789 0.151 1.00 0.00 ? 86 GLU A HG3 6 ATOM 8997 N N . ARG A 1 87 ? 2.255 -22.139 -0.118 1.00 0.00 ? 87 ARG A N 6 ATOM 8998 C CA . ARG A 1 87 ? 2.450 -23.298 -0.981 1.00 0.00 ? 87 ARG A CA 6 ATOM 8999 C C . ARG A 1 87 ? 2.429 -24.590 -0.170 1.00 0.00 ? 87 ARG A C 6 ATOM 9000 O O . ARG A 1 87 ? 1.977 -25.630 -0.650 1.00 0.00 ? 87 ARG A O 6 ATOM 9001 C CB . ARG A 1 87 ? 3.774 -23.180 -1.738 1.00 0.00 ? 87 ARG A CB 6 ATOM 9002 C CG . ARG A 1 87 ? 3.649 -22.470 -3.076 1.00 0.00 ? 87 ARG A CG 6 ATOM 9003 C CD . ARG A 1 87 ? 2.983 -23.356 -4.117 1.00 0.00 ? 87 ARG A CD 6 ATOM 9004 N NE . ARG A 1 87 ? 3.748 -24.574 -4.370 1.00 0.00 ? 87 ARG A NE 6 ATOM 9005 C CZ . ARG A 1 87 ? 3.213 -25.694 -4.843 1.00 0.00 ? 87 ARG A CZ 6 ATOM 9006 N NH1 . ARG A 1 87 ? 1.916 -25.750 -5.112 1.00 0.00 ? 87 ARG A NH1 6 ATOM 9007 N NH2 . ARG A 1 87 ? 3.975 -26.760 -5.047 1.00 0.00 ? 87 ARG A NH2 6 ATOM 9008 H H . ARG A 1 87 ? 2.941 -21.440 -0.095 1.00 0.00 ? 87 ARG A H 6 ATOM 9009 H HA . ARG A 1 87 ? 1.639 -23.321 -1.694 1.00 0.00 ? 87 ARG A HA 6 ATOM 9010 H HB2 . ARG A 1 87 ? 4.476 -22.631 -1.129 1.00 0.00 ? 87 ARG A HB2 6 ATOM 9011 H HB3 . ARG A 1 87 ? 4.162 -24.171 -1.916 1.00 0.00 ? 87 ARG A HB3 6 ATOM 9012 H HG2 . ARG A 1 87 ? 3.054 -21.578 -2.946 1.00 0.00 ? 87 ARG A HG2 6 ATOM 9013 H HG3 . ARG A 1 87 ? 4.635 -22.200 -3.423 1.00 0.00 ? 87 ARG A HG3 6 ATOM 9014 H HD2 . ARG A 1 87 ? 1.999 -23.628 -3.763 1.00 0.00 ? 87 ARG A HD2 6 ATOM 9015 H HD3 . ARG A 1 87 ? 2.893 -22.800 -5.039 1.00 0.00 ? 87 ARG A HD3 6 ATOM 9016 H HE . ARG A 1 87 ? 4.709 -24.554 -4.178 1.00 0.00 ? 87 ARG A HE 6 ATOM 9017 H HH11 . ARG A 1 87 ? 1.339 -24.947 -4.960 1.00 0.00 ? 87 ARG A HH11 6 ATOM 9018 H HH12 . ARG A 1 87 ? 1.515 -26.594 -5.469 1.00 0.00 ? 87 ARG A HH12 6 ATOM 9019 H HH21 . ARG A 1 87 ? 4.953 -26.722 -4.845 1.00 0.00 ? 87 ARG A HH21 6 ATOM 9020 H HH22 . ARG A 1 87 ? 3.571 -27.603 -5.402 1.00 0.00 ? 87 ARG A HH22 6 ATOM 9021 N N . LEU A 1 88 ? 2.922 -24.517 1.062 1.00 0.00 ? 88 LEU A N 6 ATOM 9022 C CA . LEU A 1 88 ? 2.961 -25.681 1.941 1.00 0.00 ? 88 LEU A CA 6 ATOM 9023 C C . LEU A 1 88 ? 1.555 -26.082 2.376 1.00 0.00 ? 88 LEU A C 6 ATOM 9024 O O . LEU A 1 88 ? 1.135 -27.223 2.182 1.00 0.00 ? 88 LEU A O 6 ATOM 9025 C CB . LEU A 1 88 ? 3.824 -25.388 3.169 1.00 0.00 ? 88 LEU A CB 6 ATOM 9026 C CG . LEU A 1 88 ? 5.310 -25.725 3.042 1.00 0.00 ? 88 LEU A CG 6 ATOM 9027 C CD1 . LEU A 1 88 ? 5.951 -24.903 1.935 1.00 0.00 ? 88 LEU A CD1 6 ATOM 9028 C CD2 . LEU A 1 88 ? 6.025 -25.492 4.365 1.00 0.00 ? 88 LEU A CD2 6 ATOM 9029 H H . LEU A 1 88 ? 3.268 -23.661 1.389 1.00 0.00 ? 88 LEU A H 6 ATOM 9030 H HA . LEU A 1 88 ? 3.401 -26.498 1.389 1.00 0.00 ? 88 LEU A HA 6 ATOM 9031 H HB2 . LEU A 1 88 ? 3.742 -24.334 3.387 1.00 0.00 ? 88 LEU A HB2 6 ATOM 9032 H HB3 . LEU A 1 88 ? 3.423 -25.957 3.997 1.00 0.00 ? 88 LEU A HB3 6 ATOM 9033 H HG . LEU A 1 88 ? 5.414 -26.770 2.784 1.00 0.00 ? 88 LEU A HG 6 ATOM 9034 H HD11 . LEU A 1 88 ? 7.025 -24.968 2.015 1.00 0.00 ? 88 LEU A HD11 6 ATOM 9035 H HD12 . LEU A 1 88 ? 5.644 -23.872 2.029 1.00 0.00 ? 88 LEU A HD12 6 ATOM 9036 H HD13 . LEU A 1 88 ? 5.637 -25.285 0.975 1.00 0.00 ? 88 LEU A HD13 6 ATOM 9037 H HD21 . LEU A 1 88 ? 5.883 -26.350 5.006 1.00 0.00 ? 88 LEU A HD21 6 ATOM 9038 H HD22 . LEU A 1 88 ? 5.617 -24.613 4.844 1.00 0.00 ? 88 LEU A HD22 6 ATOM 9039 H HD23 . LEU A 1 88 ? 7.079 -25.348 4.184 1.00 0.00 ? 88 LEU A HD23 6 ATOM 9040 N N . LYS A 1 89 ? 0.831 -25.135 2.963 1.00 0.00 ? 89 LYS A N 6 ATOM 9041 C CA . LYS A 1 89 ? -0.530 -25.387 3.424 1.00 0.00 ? 89 LYS A CA 6 ATOM 9042 C C . LYS A 1 89 ? -1.444 -25.736 2.254 1.00 0.00 ? 89 LYS A C 6 ATOM 9043 O O . LYS A 1 89 ? -2.330 -26.581 2.377 1.00 0.00 ? 89 LYS A O 6 ATOM 9044 C CB . LYS A 1 89 ? -1.075 -24.163 4.163 1.00 0.00 ? 89 LYS A CB 6 ATOM 9045 C CG . LYS A 1 89 ? -1.193 -22.927 3.288 1.00 0.00 ? 89 LYS A CG 6 ATOM 9046 C CD . LYS A 1 89 ? -1.563 -21.699 4.104 1.00 0.00 ? 89 LYS A CD 6 ATOM 9047 C CE . LYS A 1 89 ? -3.071 -21.526 4.198 1.00 0.00 ? 89 LYS A CE 6 ATOM 9048 N NZ . LYS A 1 89 ? -3.639 -22.245 5.372 1.00 0.00 ? 89 LYS A NZ 6 ATOM 9049 H H . LYS A 1 89 ? 1.221 -24.244 3.090 1.00 0.00 ? 89 LYS A H 6 ATOM 9050 H HA . LYS A 1 89 ? -0.500 -26.224 4.104 1.00 0.00 ? 89 LYS A HA 6 ATOM 9051 H HB2 . LYS A 1 89 ? -2.054 -24.399 4.552 1.00 0.00 ? 89 LYS A HB2 6 ATOM 9052 H HB3 . LYS A 1 89 ? -0.416 -23.932 4.988 1.00 0.00 ? 89 LYS A HB3 6 ATOM 9053 H HG2 . LYS A 1 89 ? -0.246 -22.750 2.800 1.00 0.00 ? 89 LYS A HG2 6 ATOM 9054 H HG3 . LYS A 1 89 ? -1.958 -23.096 2.543 1.00 0.00 ? 89 LYS A HG3 6 ATOM 9055 H HD2 . LYS A 1 89 ? -1.161 -21.806 5.101 1.00 0.00 ? 89 LYS A HD2 6 ATOM 9056 H HD3 . LYS A 1 89 ? -1.137 -20.824 3.634 1.00 0.00 ? 89 LYS A HD3 6 ATOM 9057 H HE2 . LYS A 1 89 ? -3.294 -20.474 4.288 1.00 0.00 ? 89 LYS A HE2 6 ATOM 9058 H HE3 . LYS A 1 89 ? -3.522 -21.914 3.297 1.00 0.00 ? 89 LYS A HE3 6 ATOM 9059 H HZ1 . LYS A 1 89 ? -3.368 -21.762 6.252 1.00 0.00 ? 89 LYS A HZ1 6 ATOM 9060 H HZ2 . LYS A 1 89 ? -3.282 -23.221 5.401 1.00 0.00 ? 89 LYS A HZ2 6 ATOM 9061 H HZ3 . LYS A 1 89 ? -4.677 -22.269 5.309 1.00 0.00 ? 89 LYS A HZ3 6 ATOM 9062 N N . ALA A 1 90 ? -1.222 -25.081 1.119 1.00 0.00 ? 90 ALA A N 6 ATOM 9063 C CA . ALA A 1 90 ? -2.023 -25.325 -0.074 1.00 0.00 ? 90 ALA A CA 6 ATOM 9064 C C . ALA A 1 90 ? -2.222 -26.819 -0.306 1.00 0.00 ? 90 ALA A C 6 ATOM 9065 O O . ALA A 1 90 ? -1.495 -27.645 0.248 1.00 0.00 ? 90 ALA A O 6 ATOM 9066 C CB . ALA A 1 90 ? -1.371 -24.682 -1.289 1.00 0.00 ? 90 ALA A CB 6 ATOM 9067 H H . ALA A 1 90 ? -0.501 -24.418 1.083 1.00 0.00 ? 90 ALA A H 6 ATOM 9068 H HA . ALA A 1 90 ? -2.989 -24.862 0.073 1.00 0.00 ? 90 ALA A HA 6 ATOM 9069 H HB1 . ALA A 1 90 ? -1.709 -23.660 -1.379 1.00 0.00 ? 90 ALA A HB1 6 ATOM 9070 H HB2 . ALA A 1 90 ? -0.298 -24.698 -1.172 1.00 0.00 ? 90 ALA A HB2 6 ATOM 9071 H HB3 . ALA A 1 90 ? -1.645 -25.232 -2.177 1.00 0.00 ? 90 ALA A HB3 6 ATOM 9072 N N . HIS A 1 91 ? -3.210 -27.160 -1.127 1.00 0.00 ? 91 HIS A N 6 ATOM 9073 C CA . HIS A 1 91 ? -3.503 -28.556 -1.431 1.00 0.00 ? 91 HIS A CA 6 ATOM 9074 C C . HIS A 1 91 ? -2.885 -28.962 -2.766 1.00 0.00 ? 91 HIS A C 6 ATOM 9075 O O . HIS A 1 91 ? -2.047 -29.862 -2.824 1.00 0.00 ? 91 HIS A O 6 ATOM 9076 C CB . HIS A 1 91 ? -5.015 -28.785 -1.466 1.00 0.00 ? 91 HIS A CB 6 ATOM 9077 C CG . HIS A 1 91 ? -5.399 -30.205 -1.749 1.00 0.00 ? 91 HIS A CG 6 ATOM 9078 N ND1 . HIS A 1 91 ? -5.522 -31.162 -0.765 1.00 0.00 ? 91 HIS A ND1 6 ATOM 9079 C CD2 . HIS A 1 91 ? -5.689 -30.827 -2.916 1.00 0.00 ? 91 HIS A CD2 6 ATOM 9080 C CE1 . HIS A 1 91 ? -5.869 -32.313 -1.313 1.00 0.00 ? 91 HIS A CE1 6 ATOM 9081 N NE2 . HIS A 1 91 ? -5.978 -32.136 -2.618 1.00 0.00 ? 91 HIS A NE2 6 ATOM 9082 H H . HIS A 1 91 ? -3.754 -26.456 -1.537 1.00 0.00 ? 91 HIS A H 6 ATOM 9083 H HA . HIS A 1 91 ? -3.074 -29.163 -0.650 1.00 0.00 ? 91 HIS A HA 6 ATOM 9084 H HB2 . HIS A 1 91 ? -5.435 -28.513 -0.509 1.00 0.00 ? 91 HIS A HB2 6 ATOM 9085 H HB3 . HIS A 1 91 ? -5.450 -28.163 -2.235 1.00 0.00 ? 91 HIS A HB3 6 ATOM 9086 H HD1 . HIS A 1 91 ? -5.374 -31.020 0.193 1.00 0.00 ? 91 HIS A HD1 6 ATOM 9087 H HD2 . HIS A 1 91 ? -5.693 -30.378 -3.899 1.00 0.00 ? 91 HIS A HD2 6 ATOM 9088 H HE1 . HIS A 1 91 ? -6.037 -33.240 -0.786 1.00 0.00 ? 91 HIS A HE1 6 ATOM 9089 H HE2 . HIS A 1 91 ? -6.141 -32.847 -3.271 1.00 0.00 ? 91 HIS A HE2 6 ATOM 9090 N N . SER A 1 92 ? -3.304 -28.293 -3.835 1.00 0.00 ? 92 SER A N 6 ATOM 9091 C CA . SER A 1 92 ? -2.794 -28.588 -5.169 1.00 0.00 ? 92 SER A CA 6 ATOM 9092 C C . SER A 1 92 ? -1.838 -27.496 -5.639 1.00 0.00 ? 92 SER A C 6 ATOM 9093 O O . SER A 1 92 ? -1.711 -26.451 -5.003 1.00 0.00 ? 92 SER A O 6 ATOM 9094 C CB . SER A 1 92 ? -3.951 -28.730 -6.160 1.00 0.00 ? 92 SER A CB 6 ATOM 9095 O OG . SER A 1 92 ? -4.673 -27.516 -6.279 1.00 0.00 ? 92 SER A OG 6 ATOM 9096 H H . SER A 1 92 ? -3.974 -27.586 -3.724 1.00 0.00 ? 92 SER A H 6 ATOM 9097 H HA . SER A 1 92 ? -2.257 -29.524 -5.120 1.00 0.00 ? 92 SER A HA 6 ATOM 9098 H HB2 . SER A 1 92 ? -3.560 -28.998 -7.130 1.00 0.00 ? 92 SER A HB2 6 ATOM 9099 H HB3 . SER A 1 92 ? -4.624 -29.502 -5.816 1.00 0.00 ? 92 SER A HB3 6 ATOM 9100 H HG . SER A 1 92 ? -4.801 -27.133 -5.408 1.00 0.00 ? 92 SER A HG 6 ATOM 9101 N N . GLY A 1 93 ? -1.167 -27.747 -6.759 1.00 0.00 ? 93 GLY A N 6 ATOM 9102 C CA . GLY A 1 93 ? -0.230 -26.778 -7.296 1.00 0.00 ? 93 GLY A CA 6 ATOM 9103 C C . GLY A 1 93 ? 1.089 -27.407 -7.698 1.00 0.00 ? 93 GLY A C 6 ATOM 9104 O O . GLY A 1 93 ? 1.560 -28.361 -7.080 1.00 0.00 ? 93 GLY A O 6 ATOM 9105 H H . GLY A 1 93 ? -1.309 -28.598 -7.224 1.00 0.00 ? 93 GLY A H 6 ATOM 9106 H HA2 . GLY A 1 93 ? -0.672 -26.308 -8.162 1.00 0.00 ? 93 GLY A HA2 6 ATOM 9107 H HA3 . GLY A 1 93 ? -0.042 -26.023 -6.547 1.00 0.00 ? 93 GLY A HA3 6 ATOM 9108 N N . PRO A 1 94 ? 1.706 -26.868 -8.760 1.00 0.00 ? 94 PRO A N 6 ATOM 9109 C CA . PRO A 1 94 ? 2.987 -27.368 -9.269 1.00 0.00 ? 94 PRO A CA 6 ATOM 9110 C C . PRO A 1 94 ? 4.144 -27.069 -8.322 1.00 0.00 ? 94 PRO A C 6 ATOM 9111 O O . PRO A 1 94 ? 4.060 -26.164 -7.491 1.00 0.00 ? 94 PRO A O 6 ATOM 9112 C CB . PRO A 1 94 ? 3.166 -26.610 -10.587 1.00 0.00 ? 94 PRO A CB 6 ATOM 9113 C CG . PRO A 1 94 ? 2.372 -25.360 -10.415 1.00 0.00 ? 94 PRO A CG 6 ATOM 9114 C CD . PRO A 1 94 ? 1.202 -25.729 -9.546 1.00 0.00 ? 94 PRO A CD 6 ATOM 9115 H HA . PRO A 1 94 ? 2.949 -28.430 -9.465 1.00 0.00 ? 94 PRO A HA 6 ATOM 9116 H HB2 . PRO A 1 94 ? 4.213 -26.395 -10.742 1.00 0.00 ? 94 PRO A HB2 6 ATOM 9117 H HB3 . PRO A 1 94 ? 2.790 -27.207 -11.404 1.00 0.00 ? 94 PRO A HB3 6 ATOM 9118 H HG2 . PRO A 1 94 ? 2.975 -24.606 -9.934 1.00 0.00 ? 94 PRO A HG2 6 ATOM 9119 H HG3 . PRO A 1 94 ? 2.028 -25.010 -11.377 1.00 0.00 ? 94 PRO A HG3 6 ATOM 9120 H HD2 . PRO A 1 94 ? 0.936 -24.904 -8.902 1.00 0.00 ? 94 PRO A HD2 6 ATOM 9121 H HD3 . PRO A 1 94 ? 0.359 -26.024 -10.153 1.00 0.00 ? 94 PRO A HD3 6 ATOM 9122 N N . SER A 1 95 ? 5.223 -27.834 -8.452 1.00 0.00 ? 95 SER A N 6 ATOM 9123 C CA . SER A 1 95 ? 6.395 -27.653 -7.605 1.00 0.00 ? 95 SER A CA 6 ATOM 9124 C C . SER A 1 95 ? 6.821 -26.188 -7.572 1.00 0.00 ? 95 SER A C 6 ATOM 9125 O O . SER A 1 95 ? 6.687 -25.469 -8.562 1.00 0.00 ? 95 SER A O 6 ATOM 9126 C CB . SER A 1 95 ? 7.552 -28.521 -8.105 1.00 0.00 ? 95 SER A CB 6 ATOM 9127 O OG . SER A 1 95 ? 7.289 -29.896 -7.887 1.00 0.00 ? 95 SER A OG 6 ATOM 9128 H H . SER A 1 95 ? 5.229 -28.539 -9.133 1.00 0.00 ? 95 SER A H 6 ATOM 9129 H HA . SER A 1 95 ? 6.132 -27.962 -6.604 1.00 0.00 ? 95 SER A HA 6 ATOM 9130 H HB2 . SER A 1 95 ? 7.690 -28.356 -9.163 1.00 0.00 ? 95 SER A HB2 6 ATOM 9131 H HB3 . SER A 1 95 ? 8.455 -28.250 -7.578 1.00 0.00 ? 95 SER A HB3 6 ATOM 9132 H HG . SER A 1 95 ? 6.498 -30.151 -8.367 1.00 0.00 ? 95 SER A HG 6 ATOM 9133 N N . SER A 1 96 ? 7.334 -25.753 -6.426 1.00 0.00 ? 96 SER A N 6 ATOM 9134 C CA . SER A 1 96 ? 7.776 -24.373 -6.261 1.00 0.00 ? 96 SER A CA 6 ATOM 9135 C C . SER A 1 96 ? 9.189 -24.320 -5.688 1.00 0.00 ? 96 SER A C 6 ATOM 9136 O O . SER A 1 96 ? 9.756 -25.344 -5.308 1.00 0.00 ? 96 SER A O 6 ATOM 9137 C CB . SER A 1 96 ? 6.814 -23.613 -5.346 1.00 0.00 ? 96 SER A CB 6 ATOM 9138 O OG . SER A 1 96 ? 6.990 -23.992 -3.992 1.00 0.00 ? 96 SER A OG 6 ATOM 9139 H H . SER A 1 96 ? 7.414 -26.374 -5.672 1.00 0.00 ? 96 SER A H 6 ATOM 9140 H HA . SER A 1 96 ? 7.777 -23.907 -7.235 1.00 0.00 ? 96 SER A HA 6 ATOM 9141 H HB2 . SER A 1 96 ? 6.996 -22.553 -5.437 1.00 0.00 ? 96 SER A HB2 6 ATOM 9142 H HB3 . SER A 1 96 ? 5.796 -23.829 -5.639 1.00 0.00 ? 96 SER A HB3 6 ATOM 9143 H HG . SER A 1 96 ? 6.245 -23.680 -3.473 1.00 0.00 ? 96 SER A HG 6 ATOM 9144 N N . GLY A 1 97 ? 9.752 -23.117 -5.629 1.00 0.00 ? 97 GLY A N 6 ATOM 9145 C CA . GLY A 1 97 ? 11.094 -22.951 -5.102 1.00 0.00 ? 97 GLY A CA 6 ATOM 9146 C C . GLY A 1 97 ? 11.237 -23.502 -3.697 1.00 0.00 ? 97 GLY A C 6 ATOM 9147 O O . GLY A 1 97 ? 10.301 -24.092 -3.156 1.00 0.00 ? 97 GLY A O 6 ATOM 9148 H H . GLY A 1 97 ? 9.252 -22.336 -5.946 1.00 0.00 ? 97 GLY A H 6 ATOM 9149 H HA2 . GLY A 1 97 ? 11.790 -23.462 -5.751 1.00 0.00 ? 97 GLY A HA2 6 ATOM 9150 H HA3 . GLY A 1 97 ? 11.336 -21.898 -5.089 1.00 0.00 ? 97 GLY A HA3 6 ATOM 9151 N N . GLY A 1 1 ? 1.137 5.132 17.595 1.00 0.00 ? 1 GLY A N 7 ATOM 9152 C CA . GLY A 1 1 ? 0.949 6.518 17.206 1.00 0.00 ? 1 GLY A CA 7 ATOM 9153 C C . GLY A 1 1 ? 0.945 6.702 15.701 1.00 0.00 ? 1 GLY A C 7 ATOM 9154 O O . GLY A 1 1 ? -0.105 6.633 15.063 1.00 0.00 ? 1 GLY A O 7 ATOM 9155 H H1 . GLY A 1 1 ? 1.114 4.884 18.543 1.00 0.00 ? 1 GLY A H1 7 ATOM 9156 H HA2 . GLY A 1 1 ? 0.008 6.867 17.603 1.00 0.00 ? 1 GLY A HA2 7 ATOM 9157 H HA3 . GLY A 1 1 ? 1.748 7.110 17.627 1.00 0.00 ? 1 GLY A HA3 7 ATOM 9158 N N . SER A 1 2 ? 2.123 6.938 15.133 1.00 0.00 ? 2 SER A N 7 ATOM 9159 C CA . SER A 1 2 ? 2.251 7.138 13.694 1.00 0.00 ? 2 SER A CA 7 ATOM 9160 C C . SER A 1 2 ? 1.187 8.105 13.183 1.00 0.00 ? 2 SER A C 7 ATOM 9161 O O . SER A 1 2 ? 0.571 7.874 12.143 1.00 0.00 ? 2 SER A O 7 ATOM 9162 C CB . SER A 1 2 ? 2.136 5.801 12.959 1.00 0.00 ? 2 SER A CB 7 ATOM 9163 O OG . SER A 1 2 ? 0.805 5.316 12.988 1.00 0.00 ? 2 SER A OG 7 ATOM 9164 H H . SER A 1 2 ? 2.925 6.981 15.695 1.00 0.00 ? 2 SER A H 7 ATOM 9165 H HA . SER A 1 2 ? 3.226 7.561 13.503 1.00 0.00 ? 2 SER A HA 7 ATOM 9166 H HB2 . SER A 1 2 ? 2.436 5.931 11.931 1.00 0.00 ? 2 SER A HB2 7 ATOM 9167 H HB3 . SER A 1 2 ? 2.781 5.076 13.434 1.00 0.00 ? 2 SER A HB3 7 ATOM 9168 H HG . SER A 1 2 ? 0.285 5.766 12.318 1.00 0.00 ? 2 SER A HG 7 ATOM 9169 N N . SER A 1 3 ? 0.977 9.189 13.924 1.00 0.00 ? 3 SER A N 7 ATOM 9170 C CA . SER A 1 3 ? -0.015 10.190 13.549 1.00 0.00 ? 3 SER A CA 7 ATOM 9171 C C . SER A 1 3 ? 0.396 11.573 14.045 1.00 0.00 ? 3 SER A C 7 ATOM 9172 O O . SER A 1 3 ? 1.113 11.702 15.036 1.00 0.00 ? 3 SER A O 7 ATOM 9173 C CB . SER A 1 3 ? -1.386 9.818 14.118 1.00 0.00 ? 3 SER A CB 7 ATOM 9174 O OG . SER A 1 3 ? -1.998 8.799 13.348 1.00 0.00 ? 3 SER A OG 7 ATOM 9175 H H . SER A 1 3 ? 1.500 9.316 14.743 1.00 0.00 ? 3 SER A H 7 ATOM 9176 H HA . SER A 1 3 ? -0.075 10.210 12.471 1.00 0.00 ? 3 SER A HA 7 ATOM 9177 H HB2 . SER A 1 3 ? -1.268 9.465 15.131 1.00 0.00 ? 3 SER A HB2 7 ATOM 9178 H HB3 . SER A 1 3 ? -2.023 10.690 14.112 1.00 0.00 ? 3 SER A HB3 7 ATOM 9179 H HG . SER A 1 3 ? -1.350 8.122 13.139 1.00 0.00 ? 3 SER A HG 7 ATOM 9180 N N . GLY A 1 4 ? -0.066 12.606 13.346 1.00 0.00 ? 4 GLY A N 7 ATOM 9181 C CA . GLY A 1 4 ? 0.263 13.967 13.729 1.00 0.00 ? 4 GLY A CA 7 ATOM 9182 C C . GLY A 1 4 ? 0.675 14.819 12.544 1.00 0.00 ? 4 GLY A C 7 ATOM 9183 O O . GLY A 1 4 ? 1.859 15.095 12.351 1.00 0.00 ? 4 GLY A O 7 ATOM 9184 H H . GLY A 1 4 ? -0.634 12.443 12.564 1.00 0.00 ? 4 GLY A H 7 ATOM 9185 H HA2 . GLY A 1 4 ? -0.599 14.415 14.200 1.00 0.00 ? 4 GLY A HA2 7 ATOM 9186 H HA3 . GLY A 1 4 ? 1.077 13.942 14.439 1.00 0.00 ? 4 GLY A HA3 7 ATOM 9187 N N . SER A 1 5 ? -0.305 15.236 11.749 1.00 0.00 ? 5 SER A N 7 ATOM 9188 C CA . SER A 1 5 ? -0.038 16.057 10.574 1.00 0.00 ? 5 SER A CA 7 ATOM 9189 C C . SER A 1 5 ? -1.147 17.084 10.365 1.00 0.00 ? 5 SER A C 7 ATOM 9190 O O . SER A 1 5 ? -2.261 16.921 10.863 1.00 0.00 ? 5 SER A O 7 ATOM 9191 C CB . SER A 1 5 ? 0.097 15.176 9.330 1.00 0.00 ? 5 SER A CB 7 ATOM 9192 O OG . SER A 1 5 ? 1.300 14.429 9.363 1.00 0.00 ? 5 SER A OG 7 ATOM 9193 H H . SER A 1 5 ? -1.229 14.983 11.956 1.00 0.00 ? 5 SER A H 7 ATOM 9194 H HA . SER A 1 5 ? 0.893 16.578 10.738 1.00 0.00 ? 5 SER A HA 7 ATOM 9195 H HB2 . SER A 1 5 ? -0.736 14.492 9.284 1.00 0.00 ? 5 SER A HB2 7 ATOM 9196 H HB3 . SER A 1 5 ? 0.099 15.801 8.448 1.00 0.00 ? 5 SER A HB3 7 ATOM 9197 H HG . SER A 1 5 ? 1.966 14.870 8.831 1.00 0.00 ? 5 SER A HG 7 ATOM 9198 N N . SER A 1 6 ? -0.832 18.143 9.626 1.00 0.00 ? 6 SER A N 7 ATOM 9199 C CA . SER A 1 6 ? -1.800 19.200 9.354 1.00 0.00 ? 6 SER A CA 7 ATOM 9200 C C . SER A 1 6 ? -1.319 20.097 8.218 1.00 0.00 ? 6 SER A C 7 ATOM 9201 O O . SER A 1 6 ? -0.136 20.418 8.123 1.00 0.00 ? 6 SER A O 7 ATOM 9202 C CB . SER A 1 6 ? -2.040 20.036 10.613 1.00 0.00 ? 6 SER A CB 7 ATOM 9203 O OG . SER A 1 6 ? -1.002 20.982 10.802 1.00 0.00 ? 6 SER A OG 7 ATOM 9204 H H . SER A 1 6 ? 0.073 18.217 9.257 1.00 0.00 ? 6 SER A H 7 ATOM 9205 H HA . SER A 1 6 ? -2.728 18.732 9.061 1.00 0.00 ? 6 SER A HA 7 ATOM 9206 H HB2 . SER A 1 6 ? -2.978 20.563 10.518 1.00 0.00 ? 6 SER A HB2 7 ATOM 9207 H HB3 . SER A 1 6 ? -2.079 19.384 11.473 1.00 0.00 ? 6 SER A HB3 7 ATOM 9208 H HG . SER A 1 6 ? -1.345 21.867 10.656 1.00 0.00 ? 6 SER A HG 7 ATOM 9209 N N . GLY A 1 7 ? -2.249 20.499 7.356 1.00 0.00 ? 7 GLY A N 7 ATOM 9210 C CA . GLY A 1 7 ? -1.902 21.354 6.236 1.00 0.00 ? 7 GLY A CA 7 ATOM 9211 C C . GLY A 1 7 ? -2.042 20.649 4.902 1.00 0.00 ? 7 GLY A C 7 ATOM 9212 O O . GLY A 1 7 ? -2.258 19.439 4.852 1.00 0.00 ? 7 GLY A O 7 ATOM 9213 H H . GLY A 1 7 ? -3.177 20.211 7.481 1.00 0.00 ? 7 GLY A H 7 ATOM 9214 H HA2 . GLY A 1 7 ? -2.549 22.219 6.244 1.00 0.00 ? 7 GLY A HA2 7 ATOM 9215 H HA3 . GLY A 1 7 ? -0.879 21.682 6.351 1.00 0.00 ? 7 GLY A HA3 7 ATOM 9216 N N . MET A 1 8 ? -1.920 21.408 3.817 1.00 0.00 ? 8 MET A N 7 ATOM 9217 C CA . MET A 1 8 ? -2.035 20.847 2.476 1.00 0.00 ? 8 MET A CA 7 ATOM 9218 C C . MET A 1 8 ? -3.278 19.971 2.358 1.00 0.00 ? 8 MET A C 7 ATOM 9219 O O . MET A 1 8 ? -3.213 18.851 1.853 1.00 0.00 ? 8 MET A O 7 ATOM 9220 C CB . MET A 1 8 ? -0.788 20.031 2.133 1.00 0.00 ? 8 MET A CB 7 ATOM 9221 C CG . MET A 1 8 ? 0.405 20.884 1.731 1.00 0.00 ? 8 MET A CG 7 ATOM 9222 S SD . MET A 1 8 ? 0.110 21.822 0.220 1.00 0.00 ? 8 MET A SD 7 ATOM 9223 C CE . MET A 1 8 ? 1.032 20.849 -0.968 1.00 0.00 ? 8 MET A CE 7 ATOM 9224 H H . MET A 1 8 ? -1.748 22.367 3.921 1.00 0.00 ? 8 MET A H 7 ATOM 9225 H HA . MET A 1 8 ? -2.120 21.668 1.780 1.00 0.00 ? 8 MET A HA 7 ATOM 9226 H HB2 . MET A 1 8 ? -0.508 19.443 2.994 1.00 0.00 ? 8 MET A HB2 7 ATOM 9227 H HB3 . MET A 1 8 ? -1.020 19.367 1.313 1.00 0.00 ? 8 MET A HB3 7 ATOM 9228 H HG2 . MET A 1 8 ? 0.621 21.577 2.531 1.00 0.00 ? 8 MET A HG2 7 ATOM 9229 H HG3 . MET A 1 8 ? 1.256 20.237 1.577 1.00 0.00 ? 8 MET A HG3 7 ATOM 9230 H HE1 . MET A 1 8 ? 1.899 21.405 -1.294 1.00 0.00 ? 8 MET A HE1 7 ATOM 9231 H HE2 . MET A 1 8 ? 1.350 19.926 -0.507 1.00 0.00 ? 8 MET A HE2 7 ATOM 9232 H HE3 . MET A 1 8 ? 0.403 20.630 -1.819 1.00 0.00 ? 8 MET A HE3 7 ATOM 9233 N N . GLU A 1 9 ? -4.409 20.490 2.826 1.00 0.00 ? 9 GLU A N 7 ATOM 9234 C CA . GLU A 1 9 ? -5.667 19.753 2.773 1.00 0.00 ? 9 GLU A CA 7 ATOM 9235 C C . GLU A 1 9 ? -6.115 19.546 1.329 1.00 0.00 ? 9 GLU A C 7 ATOM 9236 O O . GLU A 1 9 ? -6.657 20.453 0.699 1.00 0.00 ? 9 GLU A O 7 ATOM 9237 C CB . GLU A 1 9 ? -6.753 20.497 3.553 1.00 0.00 ? 9 GLU A CB 7 ATOM 9238 C CG . GLU A 1 9 ? -6.536 20.486 5.057 1.00 0.00 ? 9 GLU A CG 7 ATOM 9239 C CD . GLU A 1 9 ? -7.627 21.224 5.808 1.00 0.00 ? 9 GLU A CD 7 ATOM 9240 O OE1 . GLU A 1 9 ? -7.914 22.385 5.448 1.00 0.00 ? 9 GLU A OE1 7 ATOM 9241 O OE2 . GLU A 1 9 ? -8.194 20.642 6.757 1.00 0.00 ? 9 GLU A OE2 7 ATOM 9242 H H . GLU A 1 9 ? -4.398 21.389 3.217 1.00 0.00 ? 9 GLU A H 7 ATOM 9243 H HA . GLU A 1 9 ? -5.505 18.789 3.229 1.00 0.00 ? 9 GLU A HA 7 ATOM 9244 H HB2 . GLU A 1 9 ? -6.779 21.524 3.221 1.00 0.00 ? 9 GLU A HB2 7 ATOM 9245 H HB3 . GLU A 1 9 ? -7.707 20.037 3.345 1.00 0.00 ? 9 GLU A HB3 7 ATOM 9246 H HG2 . GLU A 1 9 ? -6.516 19.462 5.398 1.00 0.00 ? 9 GLU A HG2 7 ATOM 9247 H HG3 . GLU A 1 9 ? -5.589 20.956 5.275 1.00 0.00 ? 9 GLU A HG3 7 ATOM 9248 N N . GLY A 1 10 ? -5.883 18.343 0.810 1.00 0.00 ? 10 GLY A N 7 ATOM 9249 C CA . GLY A 1 10 ? -6.268 18.037 -0.555 1.00 0.00 ? 10 GLY A CA 7 ATOM 9250 C C . GLY A 1 10 ? -5.542 16.825 -1.104 1.00 0.00 ? 10 GLY A C 7 ATOM 9251 O O . GLY A 1 10 ? -6.088 15.724 -1.169 1.00 0.00 ? 10 GLY A O 7 ATOM 9252 H H . GLY A 1 10 ? -5.447 17.658 1.360 1.00 0.00 ? 10 GLY A H 7 ATOM 9253 H HA2 . GLY A 1 10 ? -7.331 17.851 -0.585 1.00 0.00 ? 10 GLY A HA2 7 ATOM 9254 H HA3 . GLY A 1 10 ? -6.044 18.890 -1.179 1.00 0.00 ? 10 GLY A HA3 7 ATOM 9255 N N . PRO A 1 11 ? -4.280 17.022 -1.514 1.00 0.00 ? 11 PRO A N 7 ATOM 9256 C CA . PRO A 1 11 ? -3.451 15.947 -2.069 1.00 0.00 ? 11 PRO A CA 7 ATOM 9257 C C . PRO A 1 11 ? -3.053 14.920 -1.016 1.00 0.00 ? 11 PRO A C 7 ATOM 9258 O O . PRO A 1 11 ? -2.468 13.883 -1.335 1.00 0.00 ? 11 PRO A O 7 ATOM 9259 C CB . PRO A 1 11 ? -2.216 16.686 -2.591 1.00 0.00 ? 11 PRO A CB 7 ATOM 9260 C CG . PRO A 1 11 ? -2.142 17.927 -1.770 1.00 0.00 ? 11 PRO A CG 7 ATOM 9261 C CD . PRO A 1 11 ? -3.564 18.308 -1.467 1.00 0.00 ? 11 PRO A CD 7 ATOM 9262 H HA . PRO A 1 11 ? -3.947 15.448 -2.889 1.00 0.00 ? 11 PRO A HA 7 ATOM 9263 H HB2 . PRO A 1 11 ? -1.340 16.068 -2.454 1.00 0.00 ? 11 PRO A HB2 7 ATOM 9264 H HB3 . PRO A 1 11 ? -2.343 16.912 -3.639 1.00 0.00 ? 11 PRO A HB3 7 ATOM 9265 H HG2 . PRO A 1 11 ? -1.603 17.731 -0.856 1.00 0.00 ? 11 PRO A HG2 7 ATOM 9266 H HG3 . PRO A 1 11 ? -1.656 18.710 -2.333 1.00 0.00 ? 11 PRO A HG3 7 ATOM 9267 H HD2 . PRO A 1 11 ? -3.635 18.753 -0.485 1.00 0.00 ? 11 PRO A HD2 7 ATOM 9268 H HD3 . PRO A 1 11 ? -3.942 18.986 -2.218 1.00 0.00 ? 11 PRO A HD3 7 ATOM 9269 N N . LEU A 1 12 ? -3.372 15.212 0.240 1.00 0.00 ? 12 LEU A N 7 ATOM 9270 C CA . LEU A 1 12 ? -3.047 14.313 1.342 1.00 0.00 ? 12 LEU A CA 7 ATOM 9271 C C . LEU A 1 12 ? -4.151 13.280 1.544 1.00 0.00 ? 12 LEU A C 7 ATOM 9272 O O . LEU A 1 12 ? -3.881 12.088 1.684 1.00 0.00 ? 12 LEU A O 7 ATOM 9273 C CB . LEU A 1 12 ? -2.835 15.109 2.631 1.00 0.00 ? 12 LEU A CB 7 ATOM 9274 C CG . LEU A 1 12 ? -1.467 15.772 2.793 1.00 0.00 ? 12 LEU A CG 7 ATOM 9275 C CD1 . LEU A 1 12 ? -1.546 16.924 3.782 1.00 0.00 ? 12 LEU A CD1 7 ATOM 9276 C CD2 . LEU A 1 12 ? -0.430 14.752 3.241 1.00 0.00 ? 12 LEU A CD2 7 ATOM 9277 H H . LEU A 1 12 ? -3.837 16.053 0.432 1.00 0.00 ? 12 LEU A H 7 ATOM 9278 H HA . LEU A 1 12 ? -2.131 13.799 1.091 1.00 0.00 ? 12 LEU A HA 7 ATOM 9279 H HB2 . LEU A 1 12 ? -3.585 15.884 2.667 1.00 0.00 ? 12 LEU A HB2 7 ATOM 9280 H HB3 . LEU A 1 12 ? -2.978 14.433 3.462 1.00 0.00 ? 12 LEU A HB3 7 ATOM 9281 H HG . LEU A 1 12 ? -1.153 16.172 1.839 1.00 0.00 ? 12 LEU A HG 7 ATOM 9282 H HD11 . LEU A 1 12 ? -1.773 16.540 4.765 1.00 0.00 ? 12 LEU A HD11 7 ATOM 9283 H HD12 . LEU A 1 12 ? -2.323 17.609 3.474 1.00 0.00 ? 12 LEU A HD12 7 ATOM 9284 H HD13 . LEU A 1 12 ? -0.599 17.443 3.807 1.00 0.00 ? 12 LEU A HD13 7 ATOM 9285 H HD21 . LEU A 1 12 ? 0.194 15.188 4.007 1.00 0.00 ? 12 LEU A HD21 7 ATOM 9286 H HD22 . LEU A 1 12 ? 0.182 14.466 2.398 1.00 0.00 ? 12 LEU A HD22 7 ATOM 9287 H HD23 . LEU A 1 12 ? -0.930 13.880 3.636 1.00 0.00 ? 12 LEU A HD23 7 ATOM 9288 N N . ASN A 1 13 ? -5.396 13.745 1.556 1.00 0.00 ? 13 ASN A N 7 ATOM 9289 C CA . ASN A 1 13 ? -6.541 12.861 1.739 1.00 0.00 ? 13 ASN A CA 7 ATOM 9290 C C . ASN A 1 13 ? -6.721 11.946 0.532 1.00 0.00 ? 13 ASN A C 7 ATOM 9291 O O . ASN A 1 13 ? -6.919 10.739 0.678 1.00 0.00 ? 13 ASN A O 7 ATOM 9292 C CB . ASN A 1 13 ? -7.813 13.681 1.966 1.00 0.00 ? 13 ASN A CB 7 ATOM 9293 C CG . ASN A 1 13 ? -8.896 12.885 2.669 1.00 0.00 ? 13 ASN A CG 7 ATOM 9294 O OD1 . ASN A 1 13 ? -8.777 12.565 3.852 1.00 0.00 ? 13 ASN A OD1 7 ATOM 9295 N ND2 . ASN A 1 13 ? -9.958 12.561 1.942 1.00 0.00 ? 13 ASN A ND2 7 ATOM 9296 H H . ASN A 1 13 ? -5.548 14.706 1.439 1.00 0.00 ? 13 ASN A H 7 ATOM 9297 H HA . ASN A 1 13 ? -6.354 12.254 2.612 1.00 0.00 ? 13 ASN A HA 7 ATOM 9298 H HB2 . ASN A 1 13 ? -7.575 14.542 2.573 1.00 0.00 ? 13 ASN A HB2 7 ATOM 9299 H HB3 . ASN A 1 13 ? -8.196 14.012 1.013 1.00 0.00 ? 13 ASN A HB3 7 ATOM 9300 H HD21 . ASN A 1 13 ? -9.984 12.850 1.005 1.00 0.00 ? 13 ASN A HD21 7 ATOM 9301 H HD22 . ASN A 1 13 ? -10.674 12.047 2.372 1.00 0.00 ? 13 ASN A HD22 7 ATOM 9302 N N . LEU A 1 14 ? -6.650 12.528 -0.660 1.00 0.00 ? 14 LEU A N 7 ATOM 9303 C CA . LEU A 1 14 ? -6.804 11.766 -1.894 1.00 0.00 ? 14 LEU A CA 7 ATOM 9304 C C . LEU A 1 14 ? -6.044 10.445 -1.817 1.00 0.00 ? 14 LEU A C 7 ATOM 9305 O O . LEU A 1 14 ? -6.611 9.378 -2.049 1.00 0.00 ? 14 LEU A O 7 ATOM 9306 C CB . LEU A 1 14 ? -6.307 12.584 -3.088 1.00 0.00 ? 14 LEU A CB 7 ATOM 9307 C CG . LEU A 1 14 ? -7.294 13.600 -3.662 1.00 0.00 ? 14 LEU A CG 7 ATOM 9308 C CD1 . LEU A 1 14 ? -6.555 14.693 -4.419 1.00 0.00 ? 14 LEU A CD1 7 ATOM 9309 C CD2 . LEU A 1 14 ? -8.303 12.910 -4.569 1.00 0.00 ? 14 LEU A CD2 7 ATOM 9310 H H . LEU A 1 14 ? -6.490 13.493 -0.713 1.00 0.00 ? 14 LEU A H 7 ATOM 9311 H HA . LEU A 1 14 ? -7.855 11.556 -2.025 1.00 0.00 ? 14 LEU A HA 7 ATOM 9312 H HB2 . LEU A 1 14 ? -5.424 13.120 -2.776 1.00 0.00 ? 14 LEU A HB2 7 ATOM 9313 H HB3 . LEU A 1 14 ? -6.046 11.892 -3.876 1.00 0.00 ? 14 LEU A HB3 7 ATOM 9314 H HG . LEU A 1 14 ? -7.836 14.065 -2.850 1.00 0.00 ? 14 LEU A HG 7 ATOM 9315 H HD11 . LEU A 1 14 ? -5.988 15.293 -3.723 1.00 0.00 ? 14 LEU A HD11 7 ATOM 9316 H HD12 . LEU A 1 14 ? -7.268 15.318 -4.936 1.00 0.00 ? 14 LEU A HD12 7 ATOM 9317 H HD13 . LEU A 1 14 ? -5.884 14.243 -5.137 1.00 0.00 ? 14 LEU A HD13 7 ATOM 9318 H HD21 . LEU A 1 14 ? -7.822 12.092 -5.085 1.00 0.00 ? 14 LEU A HD21 7 ATOM 9319 H HD22 . LEU A 1 14 ? -8.681 13.619 -5.291 1.00 0.00 ? 14 LEU A HD22 7 ATOM 9320 H HD23 . LEU A 1 14 ? -9.120 12.530 -3.974 1.00 0.00 ? 14 LEU A HD23 7 ATOM 9321 N N . ALA A 1 15 ? -4.759 10.526 -1.487 1.00 0.00 ? 15 ALA A N 7 ATOM 9322 C CA . ALA A 1 15 ? -3.924 9.337 -1.375 1.00 0.00 ? 15 ALA A CA 7 ATOM 9323 C C . ALA A 1 15 ? -4.519 8.339 -0.388 1.00 0.00 ? 15 ALA A C 7 ATOM 9324 O O . ALA A 1 15 ? -4.563 7.137 -0.655 1.00 0.00 ? 15 ALA A O 7 ATOM 9325 C CB . ALA A 1 15 ? -2.513 9.721 -0.953 1.00 0.00 ? 15 ALA A CB 7 ATOM 9326 H H . ALA A 1 15 ? -4.365 11.406 -1.314 1.00 0.00 ? 15 ALA A H 7 ATOM 9327 H HA . ALA A 1 15 ? -3.868 8.874 -2.350 1.00 0.00 ? 15 ALA A HA 7 ATOM 9328 H HB1 . ALA A 1 15 ? -2.532 10.693 -0.480 1.00 0.00 ? 15 ALA A HB1 7 ATOM 9329 H HB2 . ALA A 1 15 ? -2.134 8.989 -0.256 1.00 0.00 ? 15 ALA A HB2 7 ATOM 9330 H HB3 . ALA A 1 15 ? -1.875 9.756 -1.823 1.00 0.00 ? 15 ALA A HB3 7 ATOM 9331 N N . HIS A 1 16 ? -4.975 8.843 0.755 1.00 0.00 ? 16 HIS A N 7 ATOM 9332 C CA . HIS A 1 16 ? -5.568 7.994 1.782 1.00 0.00 ? 16 HIS A CA 7 ATOM 9333 C C . HIS A 1 16 ? -6.634 7.081 1.184 1.00 0.00 ? 16 HIS A C 7 ATOM 9334 O O . HIS A 1 16 ? -6.735 5.910 1.548 1.00 0.00 ? 16 HIS A O 7 ATOM 9335 C CB . HIS A 1 16 ? -6.179 8.851 2.891 1.00 0.00 ? 16 HIS A CB 7 ATOM 9336 C CG . HIS A 1 16 ? -5.200 9.783 3.537 1.00 0.00 ? 16 HIS A CG 7 ATOM 9337 N ND1 . HIS A 1 16 ? -5.581 10.839 4.337 1.00 0.00 ? 16 HIS A ND1 7 ATOM 9338 C CD2 . HIS A 1 16 ? -3.847 9.811 3.498 1.00 0.00 ? 16 HIS A CD2 7 ATOM 9339 C CE1 . HIS A 1 16 ? -4.505 11.478 4.761 1.00 0.00 ? 16 HIS A CE1 7 ATOM 9340 N NE2 . HIS A 1 16 ? -3.440 10.873 4.267 1.00 0.00 ? 16 HIS A NE2 7 ATOM 9341 H H . HIS A 1 16 ? -4.912 9.808 0.910 1.00 0.00 ? 16 HIS A H 7 ATOM 9342 H HA . HIS A 1 16 ? -4.783 7.384 2.202 1.00 0.00 ? 16 HIS A HA 7 ATOM 9343 H HB2 . HIS A 1 16 ? -6.979 9.447 2.477 1.00 0.00 ? 16 HIS A HB2 7 ATOM 9344 H HB3 . HIS A 1 16 ? -6.579 8.204 3.659 1.00 0.00 ? 16 HIS A HB3 7 ATOM 9345 H HD1 . HIS A 1 16 ? -6.503 11.086 4.559 1.00 0.00 ? 16 HIS A HD1 7 ATOM 9346 H HD2 . HIS A 1 16 ? -3.206 9.125 2.962 1.00 0.00 ? 16 HIS A HD2 7 ATOM 9347 H HE1 . HIS A 1 16 ? -4.497 12.346 5.403 1.00 0.00 ? 16 HIS A HE1 7 ATOM 9348 H HE2 . HIS A 1 16 ? -2.518 11.193 4.355 1.00 0.00 ? 16 HIS A HE2 7 ATOM 9349 N N . GLN A 1 17 ? -7.426 7.625 0.265 1.00 0.00 ? 17 GLN A N 7 ATOM 9350 C CA . GLN A 1 17 ? -8.484 6.858 -0.381 1.00 0.00 ? 17 GLN A CA 7 ATOM 9351 C C . GLN A 1 17 ? -7.955 5.522 -0.891 1.00 0.00 ? 17 GLN A C 7 ATOM 9352 O O . GLN A 1 17 ? -8.619 4.493 -0.767 1.00 0.00 ? 17 GLN A O 7 ATOM 9353 C CB . GLN A 1 17 ? -9.086 7.657 -1.539 1.00 0.00 ? 17 GLN A CB 7 ATOM 9354 C CG . GLN A 1 17 ? -9.793 8.928 -1.098 1.00 0.00 ? 17 GLN A CG 7 ATOM 9355 C CD . GLN A 1 17 ? -10.288 9.756 -2.268 1.00 0.00 ? 17 GLN A CD 7 ATOM 9356 O OE1 . GLN A 1 17 ? -9.829 9.591 -3.399 1.00 0.00 ? 17 GLN A OE1 7 ATOM 9357 N NE2 . GLN A 1 17 ? -11.230 10.653 -2.002 1.00 0.00 ? 17 GLN A NE2 7 ATOM 9358 H H . GLN A 1 17 ? -7.295 8.563 0.017 1.00 0.00 ? 17 GLN A H 7 ATOM 9359 H HA . GLN A 1 17 ? -9.253 6.671 0.353 1.00 0.00 ? 17 GLN A HA 7 ATOM 9360 H HB2 . GLN A 1 17 ? -8.296 7.928 -2.223 1.00 0.00 ? 17 GLN A HB2 7 ATOM 9361 H HB3 . GLN A 1 17 ? -9.801 7.034 -2.056 1.00 0.00 ? 17 GLN A HB3 7 ATOM 9362 H HG2 . GLN A 1 17 ? -10.639 8.660 -0.484 1.00 0.00 ? 17 GLN A HG2 7 ATOM 9363 H HG3 . GLN A 1 17 ? -9.104 9.525 -0.520 1.00 0.00 ? 17 GLN A HG3 7 ATOM 9364 H HE21 . GLN A 1 17 ? -11.548 10.730 -1.077 1.00 0.00 ? 17 GLN A HE21 7 ATOM 9365 H HE22 . GLN A 1 17 ? -11.568 11.202 -2.739 1.00 0.00 ? 17 GLN A HE22 7 ATOM 9366 N N . GLN A 1 18 ? -6.756 5.546 -1.464 1.00 0.00 ? 18 GLN A N 7 ATOM 9367 C CA . GLN A 1 18 ? -6.138 4.335 -1.993 1.00 0.00 ? 18 GLN A CA 7 ATOM 9368 C C . GLN A 1 18 ? -5.586 3.468 -0.867 1.00 0.00 ? 18 GLN A C 7 ATOM 9369 O O . GLN A 1 18 ? -5.715 2.244 -0.892 1.00 0.00 ? 18 GLN A O 7 ATOM 9370 C CB . GLN A 1 18 ? -5.019 4.694 -2.972 1.00 0.00 ? 18 GLN A CB 7 ATOM 9371 C CG . GLN A 1 18 ? -5.445 5.678 -4.049 1.00 0.00 ? 18 GLN A CG 7 ATOM 9372 C CD . GLN A 1 18 ? -4.676 5.497 -5.343 1.00 0.00 ? 18 GLN A CD 7 ATOM 9373 O OE1 . GLN A 1 18 ? -3.642 6.131 -5.558 1.00 0.00 ? 18 GLN A OE1 7 ATOM 9374 N NE2 . GLN A 1 18 ? -5.176 4.627 -6.213 1.00 0.00 ? 18 GLN A NE2 7 ATOM 9375 H H . GLN A 1 18 ? -6.276 6.397 -1.534 1.00 0.00 ? 18 GLN A H 7 ATOM 9376 H HA . GLN A 1 18 ? -6.899 3.778 -2.519 1.00 0.00 ? 18 GLN A HA 7 ATOM 9377 H HB2 . GLN A 1 18 ? -4.200 5.130 -2.419 1.00 0.00 ? 18 GLN A HB2 7 ATOM 9378 H HB3 . GLN A 1 18 ? -4.676 3.791 -3.455 1.00 0.00 ? 18 GLN A HB3 7 ATOM 9379 H HG2 . GLN A 1 18 ? -6.496 5.538 -4.252 1.00 0.00 ? 18 GLN A HG2 7 ATOM 9380 H HG3 . GLN A 1 18 ? -5.280 6.682 -3.687 1.00 0.00 ? 18 GLN A HG3 7 ATOM 9381 H HE21 . GLN A 1 18 ? -6.004 4.159 -5.974 1.00 0.00 ? 18 GLN A HE21 7 ATOM 9382 H HE22 . GLN A 1 18 ? -4.700 4.491 -7.057 1.00 0.00 ? 18 GLN A HE22 7 ATOM 9383 N N . SER A 1 19 ? -4.972 4.111 0.121 1.00 0.00 ? 19 SER A N 7 ATOM 9384 C CA . SER A 1 19 ? -4.396 3.399 1.256 1.00 0.00 ? 19 SER A CA 7 ATOM 9385 C C . SER A 1 19 ? -5.428 2.476 1.898 1.00 0.00 ? 19 SER A C 7 ATOM 9386 O O . SER A 1 19 ? -5.087 1.419 2.428 1.00 0.00 ? 19 SER A O 7 ATOM 9387 C CB . SER A 1 19 ? -3.866 4.391 2.293 1.00 0.00 ? 19 SER A CB 7 ATOM 9388 O OG . SER A 1 19 ? -2.511 4.719 2.038 1.00 0.00 ? 19 SER A OG 7 ATOM 9389 H H . SER A 1 19 ? -4.901 5.088 0.084 1.00 0.00 ? 19 SER A H 7 ATOM 9390 H HA . SER A 1 19 ? -3.575 2.801 0.889 1.00 0.00 ? 19 SER A HA 7 ATOM 9391 H HB2 . SER A 1 19 ? -4.456 5.294 2.257 1.00 0.00 ? 19 SER A HB2 7 ATOM 9392 H HB3 . SER A 1 19 ? -3.939 3.951 3.277 1.00 0.00 ? 19 SER A HB3 7 ATOM 9393 H HG . SER A 1 19 ? -1.945 4.009 2.351 1.00 0.00 ? 19 SER A HG 7 ATOM 9394 N N . ARG A 1 20 ? -6.691 2.886 1.846 1.00 0.00 ? 20 ARG A N 7 ATOM 9395 C CA . ARG A 1 20 ? -7.774 2.098 2.424 1.00 0.00 ? 20 ARG A CA 7 ATOM 9396 C C . ARG A 1 20 ? -7.973 0.798 1.649 1.00 0.00 ? 20 ARG A C 7 ATOM 9397 O O . ARG A 1 20 ? -8.039 -0.282 2.237 1.00 0.00 ? 20 ARG A O 7 ATOM 9398 C CB . ARG A 1 20 ? -9.073 2.905 2.430 1.00 0.00 ? 20 ARG A CB 7 ATOM 9399 C CG . ARG A 1 20 ? -9.082 4.038 3.443 1.00 0.00 ? 20 ARG A CG 7 ATOM 9400 C CD . ARG A 1 20 ? -10.497 4.386 3.878 1.00 0.00 ? 20 ARG A CD 7 ATOM 9401 N NE . ARG A 1 20 ? -11.252 5.037 2.811 1.00 0.00 ? 20 ARG A NE 7 ATOM 9402 C CZ . ARG A 1 20 ? -12.475 5.530 2.972 1.00 0.00 ? 20 ARG A CZ 7 ATOM 9403 N NH1 . ARG A 1 20 ? -13.078 5.446 4.150 1.00 0.00 ? 20 ARG A NH1 7 ATOM 9404 N NH2 . ARG A 1 20 ? -13.098 6.109 1.953 1.00 0.00 ? 20 ARG A NH2 7 ATOM 9405 H H . ARG A 1 20 ? -6.901 3.738 1.410 1.00 0.00 ? 20 ARG A H 7 ATOM 9406 H HA . ARG A 1 20 ? -7.504 1.859 3.441 1.00 0.00 ? 20 ARG A HA 7 ATOM 9407 H HB2 . ARG A 1 20 ? -9.225 3.329 1.448 1.00 0.00 ? 20 ARG A HB2 7 ATOM 9408 H HB3 . ARG A 1 20 ? -9.894 2.241 2.657 1.00 0.00 ? 20 ARG A HB3 7 ATOM 9409 H HG2 . ARG A 1 20 ? -8.515 3.736 4.311 1.00 0.00 ? 20 ARG A HG2 7 ATOM 9410 H HG3 . ARG A 1 20 ? -8.626 4.910 2.998 1.00 0.00 ? 20 ARG A HG3 7 ATOM 9411 H HD2 . ARG A 1 20 ? -11.006 3.477 4.162 1.00 0.00 ? 20 ARG A HD2 7 ATOM 9412 H HD3 . ARG A 1 20 ? -10.445 5.050 4.727 1.00 0.00 ? 20 ARG A HD3 7 ATOM 9413 H HE . ARG A 1 20 ? -10.826 5.111 1.932 1.00 0.00 ? 20 ARG A HE 7 ATOM 9414 H HH11 . ARG A 1 20 ? -12.611 5.011 4.920 1.00 0.00 ? 20 ARG A HH11 7 ATOM 9415 H HH12 . ARG A 1 20 ? -13.999 5.818 4.269 1.00 0.00 ? 20 ARG A HH12 7 ATOM 9416 H HH21 . ARG A 1 20 ? -12.647 6.175 1.064 1.00 0.00 ? 20 ARG A HH21 7 ATOM 9417 H HH22 . ARG A 1 20 ? -14.019 6.479 2.075 1.00 0.00 ? 20 ARG A HH22 7 ATOM 9418 N N . ARG A 1 21 ? -8.070 0.911 0.329 1.00 0.00 ? 21 ARG A N 7 ATOM 9419 C CA . ARG A 1 21 ? -8.263 -0.254 -0.526 1.00 0.00 ? 21 ARG A CA 7 ATOM 9420 C C . ARG A 1 21 ? -7.227 -1.332 -0.219 1.00 0.00 ? 21 ARG A C 7 ATOM 9421 O O . ARG A 1 21 ? -7.573 -2.486 0.033 1.00 0.00 ? 21 ARG A O 7 ATOM 9422 C CB . ARG A 1 21 ? -8.177 0.147 -1.999 1.00 0.00 ? 21 ARG A CB 7 ATOM 9423 C CG . ARG A 1 21 ? -7.795 -1.000 -2.921 1.00 0.00 ? 21 ARG A CG 7 ATOM 9424 C CD . ARG A 1 21 ? -8.276 -0.755 -4.343 1.00 0.00 ? 21 ARG A CD 7 ATOM 9425 N NE . ARG A 1 21 ? -8.414 -1.999 -5.095 1.00 0.00 ? 21 ARG A NE 7 ATOM 9426 C CZ . ARG A 1 21 ? -8.696 -2.046 -6.393 1.00 0.00 ? 21 ARG A CZ 7 ATOM 9427 N NH1 . ARG A 1 21 ? -8.867 -0.924 -7.078 1.00 0.00 ? 21 ARG A NH1 7 ATOM 9428 N NH2 . ARG A 1 21 ? -8.806 -3.216 -7.007 1.00 0.00 ? 21 ARG A NH2 7 ATOM 9429 H H . ARG A 1 21 ? -8.010 1.799 -0.081 1.00 0.00 ? 21 ARG A H 7 ATOM 9430 H HA . ARG A 1 21 ? -9.248 -0.651 -0.327 1.00 0.00 ? 21 ARG A HA 7 ATOM 9431 H HB2 . ARG A 1 21 ? -9.137 0.528 -2.314 1.00 0.00 ? 21 ARG A HB2 7 ATOM 9432 H HB3 . ARG A 1 21 ? -7.438 0.926 -2.105 1.00 0.00 ? 21 ARG A HB3 7 ATOM 9433 H HG2 . ARG A 1 21 ? -6.719 -1.100 -2.929 1.00 0.00 ? 21 ARG A HG2 7 ATOM 9434 H HG3 . ARG A 1 21 ? -8.241 -1.911 -2.551 1.00 0.00 ? 21 ARG A HG3 7 ATOM 9435 H HD2 . ARG A 1 21 ? -9.234 -0.260 -4.304 1.00 0.00 ? 21 ARG A HD2 7 ATOM 9436 H HD3 . ARG A 1 21 ? -7.562 -0.119 -4.845 1.00 0.00 ? 21 ARG A HD3 7 ATOM 9437 H HE . ARG A 1 21 ? -8.292 -2.840 -4.609 1.00 0.00 ? 21 ARG A HE 7 ATOM 9438 H HH11 . ARG A 1 21 ? -8.784 -0.040 -6.618 1.00 0.00 ? 21 ARG A HH11 7 ATOM 9439 H HH12 . ARG A 1 21 ? -9.078 -0.961 -8.055 1.00 0.00 ? 21 ARG A HH12 7 ATOM 9440 H HH21 . ARG A 1 21 ? -8.677 -4.064 -6.494 1.00 0.00 ? 21 ARG A HH21 7 ATOM 9441 H HH22 . ARG A 1 21 ? -9.018 -3.251 -7.983 1.00 0.00 ? 21 ARG A HH22 7 ATOM 9442 N N . ALA A 1 22 ? -5.956 -0.946 -0.242 1.00 0.00 ? 22 ALA A N 7 ATOM 9443 C CA . ALA A 1 22 ? -4.870 -1.878 0.035 1.00 0.00 ? 22 ALA A CA 7 ATOM 9444 C C . ALA A 1 22 ? -5.221 -2.802 1.196 1.00 0.00 ? 22 ALA A C 7 ATOM 9445 O O . ALA A 1 22 ? -5.224 -4.024 1.050 1.00 0.00 ? 22 ALA A O 7 ATOM 9446 C CB . ALA A 1 22 ? -3.585 -1.118 0.332 1.00 0.00 ? 22 ALA A CB 7 ATOM 9447 H H . ALA A 1 22 ? -5.743 -0.012 -0.449 1.00 0.00 ? 22 ALA A H 7 ATOM 9448 H HA . ALA A 1 22 ? -4.708 -2.475 -0.851 1.00 0.00 ? 22 ALA A HA 7 ATOM 9449 H HB1 . ALA A 1 22 ? -3.686 -0.097 -0.006 1.00 0.00 ? 22 ALA A HB1 7 ATOM 9450 H HB2 . ALA A 1 22 ? -3.399 -1.130 1.396 1.00 0.00 ? 22 ALA A HB2 7 ATOM 9451 H HB3 . ALA A 1 22 ? -2.762 -1.589 -0.183 1.00 0.00 ? 22 ALA A HB3 7 ATOM 9452 N N . ASP A 1 23 ? -5.517 -2.210 2.348 1.00 0.00 ? 23 ASP A N 7 ATOM 9453 C CA . ASP A 1 23 ? -5.871 -2.980 3.534 1.00 0.00 ? 23 ASP A CA 7 ATOM 9454 C C . ASP A 1 23 ? -6.882 -4.070 3.193 1.00 0.00 ? 23 ASP A C 7 ATOM 9455 O O . ASP A 1 23 ? -6.734 -5.219 3.610 1.00 0.00 ? 23 ASP A O 7 ATOM 9456 C CB . ASP A 1 23 ? -6.440 -2.059 4.615 1.00 0.00 ? 23 ASP A CB 7 ATOM 9457 C CG . ASP A 1 23 ? -6.245 -2.616 6.012 1.00 0.00 ? 23 ASP A CG 7 ATOM 9458 O OD1 . ASP A 1 23 ? -5.134 -3.105 6.306 1.00 0.00 ? 23 ASP A OD1 7 ATOM 9459 O OD2 . ASP A 1 23 ? -7.203 -2.562 6.810 1.00 0.00 ? 23 ASP A OD2 7 ATOM 9460 H H . ASP A 1 23 ? -5.498 -1.231 2.401 1.00 0.00 ? 23 ASP A H 7 ATOM 9461 H HA . ASP A 1 23 ? -4.971 -3.445 3.908 1.00 0.00 ? 23 ASP A HA 7 ATOM 9462 H HB2 . ASP A 1 23 ? -5.946 -1.100 4.558 1.00 0.00 ? 23 ASP A HB2 7 ATOM 9463 H HB3 . ASP A 1 23 ? -7.498 -1.926 4.444 1.00 0.00 ? 23 ASP A HB3 7 ATOM 9464 N N . ARG A 1 24 ? -7.908 -3.702 2.434 1.00 0.00 ? 24 ARG A N 7 ATOM 9465 C CA . ARG A 1 24 ? -8.945 -4.648 2.039 1.00 0.00 ? 24 ARG A CA 7 ATOM 9466 C C . ARG A 1 24 ? -8.358 -5.775 1.194 1.00 0.00 ? 24 ARG A C 7 ATOM 9467 O O . ARG A 1 24 ? -8.845 -6.906 1.225 1.00 0.00 ? 24 ARG A O 7 ATOM 9468 C CB . ARG A 1 24 ? -10.048 -3.931 1.258 1.00 0.00 ? 24 ARG A CB 7 ATOM 9469 C CG . ARG A 1 24 ? -10.652 -2.751 2.001 1.00 0.00 ? 24 ARG A CG 7 ATOM 9470 C CD . ARG A 1 24 ? -11.788 -3.188 2.913 1.00 0.00 ? 24 ARG A CD 7 ATOM 9471 N NE . ARG A 1 24 ? -11.312 -3.551 4.245 1.00 0.00 ? 24 ARG A NE 7 ATOM 9472 C CZ . ARG A 1 24 ? -12.111 -3.955 5.226 1.00 0.00 ? 24 ARG A CZ 7 ATOM 9473 N NH1 . ARG A 1 24 ? -13.418 -4.048 5.025 1.00 0.00 ? 24 ARG A NH1 7 ATOM 9474 N NH2 . ARG A 1 24 ? -11.603 -4.269 6.411 1.00 0.00 ? 24 ARG A NH2 7 ATOM 9475 H H . ARG A 1 24 ? -7.970 -2.771 2.133 1.00 0.00 ? 24 ARG A H 7 ATOM 9476 H HA . ARG A 1 24 ? -9.368 -5.070 2.938 1.00 0.00 ? 24 ARG A HA 7 ATOM 9477 H HB2 . ARG A 1 24 ? -9.638 -3.570 0.327 1.00 0.00 ? 24 ARG A HB2 7 ATOM 9478 H HB3 . ARG A 1 24 ? -10.837 -4.636 1.045 1.00 0.00 ? 24 ARG A HB3 7 ATOM 9479 H HG2 . ARG A 1 24 ? -9.884 -2.284 2.600 1.00 0.00 ? 24 ARG A HG2 7 ATOM 9480 H HG3 . ARG A 1 24 ? -11.032 -2.041 1.282 1.00 0.00 ? 24 ARG A HG3 7 ATOM 9481 H HD2 . ARG A 1 24 ? -12.493 -2.375 3.003 1.00 0.00 ? 24 ARG A HD2 7 ATOM 9482 H HD3 . ARG A 1 24 ? -12.278 -4.042 2.470 1.00 0.00 ? 24 ARG A HD3 7 ATOM 9483 H HE . ARG A 1 24 ? -10.349 -3.490 4.415 1.00 0.00 ? 24 ARG A HE 7 ATOM 9484 H HH11 . ARG A 1 24 ? -13.804 -3.813 4.133 1.00 0.00 ? 24 ARG A HH11 7 ATOM 9485 H HH12 . ARG A 1 24 ? -14.018 -4.353 5.765 1.00 0.00 ? 24 ARG A HH12 7 ATOM 9486 H HH21 . ARG A 1 24 ? -10.617 -4.200 6.566 1.00 0.00 ? 24 ARG A HH21 7 ATOM 9487 H HH22 . ARG A 1 24 ? -12.205 -4.572 7.149 1.00 0.00 ? 24 ARG A HH22 7 ATOM 9488 N N . LEU A 1 25 ? -7.312 -5.459 0.439 1.00 0.00 ? 25 LEU A N 7 ATOM 9489 C CA . LEU A 1 25 ? -6.659 -6.444 -0.415 1.00 0.00 ? 25 LEU A CA 7 ATOM 9490 C C . LEU A 1 25 ? -5.747 -7.354 0.401 1.00 0.00 ? 25 LEU A C 7 ATOM 9491 O O . LEU A 1 25 ? -5.690 -8.563 0.171 1.00 0.00 ? 25 LEU A O 7 ATOM 9492 C CB . LEU A 1 25 ? -5.852 -5.744 -1.510 1.00 0.00 ? 25 LEU A CB 7 ATOM 9493 C CG . LEU A 1 25 ? -6.666 -5.026 -2.588 1.00 0.00 ? 25 LEU A CG 7 ATOM 9494 C CD1 . LEU A 1 25 ? -5.823 -3.959 -3.270 1.00 0.00 ? 25 LEU A CD1 7 ATOM 9495 C CD2 . LEU A 1 25 ? -7.197 -6.022 -3.608 1.00 0.00 ? 25 LEU A CD2 7 ATOM 9496 H H . LEU A 1 25 ? -6.969 -4.541 0.457 1.00 0.00 ? 25 LEU A H 7 ATOM 9497 H HA . LEU A 1 25 ? -7.429 -7.046 -0.875 1.00 0.00 ? 25 LEU A HA 7 ATOM 9498 H HB2 . LEU A 1 25 ? -5.215 -5.014 -1.036 1.00 0.00 ? 25 LEU A HB2 7 ATOM 9499 H HB3 . LEU A 1 25 ? -5.241 -6.491 -1.998 1.00 0.00 ? 25 LEU A HB3 7 ATOM 9500 H HG . LEU A 1 25 ? -7.512 -4.536 -2.125 1.00 0.00 ? 25 LEU A HG 7 ATOM 9501 H HD11 . LEU A 1 25 ? -6.058 -3.934 -4.323 1.00 0.00 ? 25 LEU A HD11 7 ATOM 9502 H HD12 . LEU A 1 25 ? -4.776 -4.189 -3.139 1.00 0.00 ? 25 LEU A HD12 7 ATOM 9503 H HD13 . LEU A 1 25 ? -6.037 -2.996 -2.830 1.00 0.00 ? 25 LEU A HD13 7 ATOM 9504 H HD21 . LEU A 1 25 ? -8.196 -5.737 -3.902 1.00 0.00 ? 25 LEU A HD21 7 ATOM 9505 H HD22 . LEU A 1 25 ? -7.219 -7.009 -3.170 1.00 0.00 ? 25 LEU A HD22 7 ATOM 9506 H HD23 . LEU A 1 25 ? -6.553 -6.026 -4.475 1.00 0.00 ? 25 LEU A HD23 7 ATOM 9507 N N . LEU A 1 26 ? -5.036 -6.766 1.357 1.00 0.00 ? 26 LEU A N 7 ATOM 9508 C CA . LEU A 1 26 ? -4.127 -7.524 2.211 1.00 0.00 ? 26 LEU A CA 7 ATOM 9509 C C . LEU A 1 26 ? -4.868 -8.640 2.939 1.00 0.00 ? 26 LEU A C 7 ATOM 9510 O O . LEU A 1 26 ? -4.333 -9.731 3.132 1.00 0.00 ? 26 LEU A O 7 ATOM 9511 C CB . LEU A 1 26 ? -3.455 -6.596 3.224 1.00 0.00 ? 26 LEU A CB 7 ATOM 9512 C CG . LEU A 1 26 ? -2.856 -7.271 4.458 1.00 0.00 ? 26 LEU A CG 7 ATOM 9513 C CD1 . LEU A 1 26 ? -1.696 -8.172 4.064 1.00 0.00 ? 26 LEU A CD1 7 ATOM 9514 C CD2 . LEU A 1 26 ? -2.404 -6.228 5.470 1.00 0.00 ? 26 LEU A CD2 7 ATOM 9515 H H . LEU A 1 26 ? -5.123 -5.800 1.493 1.00 0.00 ? 26 LEU A H 7 ATOM 9516 H HA . LEU A 1 26 ? -3.369 -7.963 1.579 1.00 0.00 ? 26 LEU A HA 7 ATOM 9517 H HB2 . LEU A 1 26 ? -2.660 -6.072 2.716 1.00 0.00 ? 26 LEU A HB2 7 ATOM 9518 H HB3 . LEU A 1 26 ? -4.195 -5.884 3.561 1.00 0.00 ? 26 LEU A HB3 7 ATOM 9519 H HG . LEU A 1 26 ? -3.612 -7.887 4.926 1.00 0.00 ? 26 LEU A HG 7 ATOM 9520 H HD11 . LEU A 1 26 ? -1.255 -7.811 3.148 1.00 0.00 ? 26 LEU A HD11 7 ATOM 9521 H HD12 . LEU A 1 26 ? -2.057 -9.180 3.917 1.00 0.00 ? 26 LEU A HD12 7 ATOM 9522 H HD13 . LEU A 1 26 ? -0.954 -8.167 4.848 1.00 0.00 ? 26 LEU A HD13 7 ATOM 9523 H HD21 . LEU A 1 26 ? -1.841 -6.711 6.256 1.00 0.00 ? 26 LEU A HD21 7 ATOM 9524 H HD22 . LEU A 1 26 ? -3.269 -5.740 5.895 1.00 0.00 ? 26 LEU A HD22 7 ATOM 9525 H HD23 . LEU A 1 26 ? -1.781 -5.496 4.978 1.00 0.00 ? 26 LEU A HD23 7 ATOM 9526 N N . ALA A 1 27 ? -6.104 -8.359 3.341 1.00 0.00 ? 27 ALA A N 7 ATOM 9527 C CA . ALA A 1 27 ? -6.920 -9.340 4.044 1.00 0.00 ? 27 ALA A CA 7 ATOM 9528 C C . ALA A 1 27 ? -7.282 -10.508 3.133 1.00 0.00 ? 27 ALA A C 7 ATOM 9529 O O . ALA A 1 27 ? -7.337 -11.656 3.572 1.00 0.00 ? 27 ALA A O 7 ATOM 9530 C CB . ALA A 1 27 ? -8.179 -8.685 4.591 1.00 0.00 ? 27 ALA A CB 7 ATOM 9531 H H . ALA A 1 27 ? -6.475 -7.471 3.158 1.00 0.00 ? 27 ALA A H 7 ATOM 9532 H HA . ALA A 1 27 ? -6.346 -9.714 4.880 1.00 0.00 ? 27 ALA A HA 7 ATOM 9533 H HB1 . ALA A 1 27 ? -9.041 -9.275 4.315 1.00 0.00 ? 27 ALA A HB1 7 ATOM 9534 H HB2 . ALA A 1 27 ? -8.115 -8.623 5.668 1.00 0.00 ? 27 ALA A HB2 7 ATOM 9535 H HB3 . ALA A 1 27 ? -8.276 -7.692 4.179 1.00 0.00 ? 27 ALA A HB3 7 ATOM 9536 N N . ALA A 1 28 ? -7.530 -10.206 1.862 1.00 0.00 ? 28 ALA A N 7 ATOM 9537 C CA . ALA A 1 28 ? -7.886 -11.231 0.889 1.00 0.00 ? 28 ALA A CA 7 ATOM 9538 C C . ALA A 1 28 ? -6.645 -11.950 0.370 1.00 0.00 ? 28 ALA A C 7 ATOM 9539 O O . ALA A 1 28 ? -6.737 -12.830 -0.484 1.00 0.00 ? 28 ALA A O 7 ATOM 9540 C CB . ALA A 1 28 ? -8.662 -10.615 -0.265 1.00 0.00 ? 28 ALA A CB 7 ATOM 9541 H H . ALA A 1 28 ? -7.470 -9.272 1.573 1.00 0.00 ? 28 ALA A H 7 ATOM 9542 H HA . ALA A 1 28 ? -8.527 -11.949 1.380 1.00 0.00 ? 28 ALA A HA 7 ATOM 9543 H HB1 . ALA A 1 28 ? -9.149 -11.398 -0.829 1.00 0.00 ? 28 ALA A HB1 7 ATOM 9544 H HB2 . ALA A 1 28 ? -9.406 -9.935 0.123 1.00 0.00 ? 28 ALA A HB2 7 ATOM 9545 H HB3 . ALA A 1 28 ? -7.983 -10.077 -0.909 1.00 0.00 ? 28 ALA A HB3 7 ATOM 9546 N N . GLY A 1 29 ? -5.483 -11.568 0.892 1.00 0.00 ? 29 GLY A N 7 ATOM 9547 C CA . GLY A 1 29 ? -4.240 -12.186 0.469 1.00 0.00 ? 29 GLY A CA 7 ATOM 9548 C C . GLY A 1 29 ? -3.734 -11.628 -0.846 1.00 0.00 ? 29 GLY A C 7 ATOM 9549 O O . GLY A 1 29 ? -2.796 -12.164 -1.437 1.00 0.00 ? 29 GLY A O 7 ATOM 9550 H H . GLY A 1 29 ? -5.470 -10.860 1.571 1.00 0.00 ? 29 GLY A H 7 ATOM 9551 H HA2 . GLY A 1 29 ? -3.492 -12.022 1.230 1.00 0.00 ? 29 GLY A HA2 7 ATOM 9552 H HA3 . GLY A 1 29 ? -4.400 -13.249 0.358 1.00 0.00 ? 29 GLY A HA3 7 ATOM 9553 N N . LYS A 1 30 ? -4.357 -10.549 -1.309 1.00 0.00 ? 30 LYS A N 7 ATOM 9554 C CA . LYS A 1 30 ? -3.965 -9.918 -2.563 1.00 0.00 ? 30 LYS A CA 7 ATOM 9555 C C . LYS A 1 30 ? -2.805 -8.951 -2.346 1.00 0.00 ? 30 LYS A C 7 ATOM 9556 O O . LYS A 1 30 ? -2.798 -7.844 -2.885 1.00 0.00 ? 30 LYS A O 7 ATOM 9557 C CB . LYS A 1 30 ? -5.154 -9.175 -3.177 1.00 0.00 ? 30 LYS A CB 7 ATOM 9558 C CG . LYS A 1 30 ? -6.310 -10.084 -3.554 1.00 0.00 ? 30 LYS A CG 7 ATOM 9559 C CD . LYS A 1 30 ? -6.162 -10.617 -4.969 1.00 0.00 ? 30 LYS A CD 7 ATOM 9560 C CE . LYS A 1 30 ? -7.504 -11.035 -5.551 1.00 0.00 ? 30 LYS A CE 7 ATOM 9561 N NZ . LYS A 1 30 ? -7.356 -12.117 -6.564 1.00 0.00 ? 30 LYS A NZ 7 ATOM 9562 H H . LYS A 1 30 ? -5.098 -10.168 -0.792 1.00 0.00 ? 30 LYS A H 7 ATOM 9563 H HA . LYS A 1 30 ? -3.648 -10.695 -3.241 1.00 0.00 ? 30 LYS A HA 7 ATOM 9564 H HB2 . LYS A 1 30 ? -5.513 -8.446 -2.466 1.00 0.00 ? 30 LYS A HB2 7 ATOM 9565 H HB3 . LYS A 1 30 ? -4.821 -8.662 -4.068 1.00 0.00 ? 30 LYS A HB3 7 ATOM 9566 H HG2 . LYS A 1 30 ? -6.340 -10.918 -2.868 1.00 0.00 ? 30 LYS A HG2 7 ATOM 9567 H HG3 . LYS A 1 30 ? -7.233 -9.525 -3.484 1.00 0.00 ? 30 LYS A HG3 7 ATOM 9568 H HD2 . LYS A 1 30 ? -5.737 -9.844 -5.593 1.00 0.00 ? 30 LYS A HD2 7 ATOM 9569 H HD3 . LYS A 1 30 ? -5.503 -11.473 -4.955 1.00 0.00 ? 30 LYS A HD3 7 ATOM 9570 H HE2 . LYS A 1 30 ? -8.134 -11.388 -4.749 1.00 0.00 ? 30 LYS A HE2 7 ATOM 9571 H HE3 . LYS A 1 30 ? -7.962 -10.176 -6.018 1.00 0.00 ? 30 LYS A HE3 7 ATOM 9572 H HZ1 . LYS A 1 30 ? -8.263 -12.281 -7.045 1.00 0.00 ? 30 LYS A HZ1 7 ATOM 9573 H HZ2 . LYS A 1 30 ? -7.056 -13.000 -6.103 1.00 0.00 ? 30 LYS A HZ2 7 ATOM 9574 H HZ3 . LYS A 1 30 ? -6.643 -11.849 -7.272 1.00 0.00 ? 30 LYS A HZ3 7 ATOM 9575 N N . TYR A 1 31 ? -1.825 -9.377 -1.557 1.00 0.00 ? 31 TYR A N 7 ATOM 9576 C CA . TYR A 1 31 ? -0.660 -8.549 -1.269 1.00 0.00 ? 31 TYR A CA 7 ATOM 9577 C C . TYR A 1 31 ? -0.241 -7.752 -2.500 1.00 0.00 ? 31 TYR A C 7 ATOM 9578 O O . TYR A 1 31 ? -0.212 -6.522 -2.475 1.00 0.00 ? 31 TYR A O 7 ATOM 9579 C CB . TYR A 1 31 ? 0.504 -9.418 -0.790 1.00 0.00 ? 31 TYR A CB 7 ATOM 9580 C CG . TYR A 1 31 ? 0.214 -10.164 0.494 1.00 0.00 ? 31 TYR A CG 7 ATOM 9581 C CD1 . TYR A 1 31 ? 0.322 -9.532 1.726 1.00 0.00 ? 31 TYR A CD1 7 ATOM 9582 C CD2 . TYR A 1 31 ? -0.166 -11.500 0.473 1.00 0.00 ? 31 TYR A CD2 7 ATOM 9583 C CE1 . TYR A 1 31 ? 0.060 -10.210 2.902 1.00 0.00 ? 31 TYR A CE1 7 ATOM 9584 C CE2 . TYR A 1 31 ? -0.432 -12.185 1.643 1.00 0.00 ? 31 TYR A CE2 7 ATOM 9585 C CZ . TYR A 1 31 ? -0.317 -11.536 2.855 1.00 0.00 ? 31 TYR A CZ 7 ATOM 9586 O OH . TYR A 1 31 ? -0.580 -12.215 4.022 1.00 0.00 ? 31 TYR A OH 7 ATOM 9587 H H . TYR A 1 31 ? -1.888 -10.270 -1.156 1.00 0.00 ? 31 TYR A H 7 ATOM 9588 H HA . TYR A 1 31 ? -0.930 -7.860 -0.482 1.00 0.00 ? 31 TYR A HA 7 ATOM 9589 H HB2 . TYR A 1 31 ? 0.737 -10.147 -1.550 1.00 0.00 ? 31 TYR A HB2 7 ATOM 9590 H HB3 . TYR A 1 31 ? 1.367 -8.791 -0.622 1.00 0.00 ? 31 TYR A HB3 7 ATOM 9591 H HD1 . TYR A 1 31 ? 0.618 -8.494 1.760 1.00 0.00 ? 31 TYR A HD1 7 ATOM 9592 H HD2 . TYR A 1 31 ? -0.254 -12.006 -0.477 1.00 0.00 ? 31 TYR A HD2 7 ATOM 9593 H HE1 . TYR A 1 31 ? 0.149 -9.702 3.850 1.00 0.00 ? 31 TYR A HE1 7 ATOM 9594 H HE2 . TYR A 1 31 ? -0.726 -13.223 1.607 1.00 0.00 ? 31 TYR A HE2 7 ATOM 9595 H HH . TYR A 1 31 ? -0.655 -13.154 3.836 1.00 0.00 ? 31 TYR A HH 7 ATOM 9596 N N . GLU A 1 32 ? 0.081 -8.463 -3.576 1.00 0.00 ? 32 GLU A N 7 ATOM 9597 C CA . GLU A 1 32 ? 0.499 -7.821 -4.817 1.00 0.00 ? 32 GLU A CA 7 ATOM 9598 C C . GLU A 1 32 ? -0.390 -6.623 -5.136 1.00 0.00 ? 32 GLU A C 7 ATOM 9599 O O . GLU A 1 32 ? 0.097 -5.509 -5.325 1.00 0.00 ? 32 GLU A O 7 ATOM 9600 C CB . GLU A 1 32 ? 0.458 -8.823 -5.973 1.00 0.00 ? 32 GLU A CB 7 ATOM 9601 C CG . GLU A 1 32 ? 1.171 -8.337 -7.224 1.00 0.00 ? 32 GLU A CG 7 ATOM 9602 C CD . GLU A 1 32 ? 0.257 -7.560 -8.152 1.00 0.00 ? 32 GLU A CD 7 ATOM 9603 O OE1 . GLU A 1 32 ? -0.751 -7.008 -7.664 1.00 0.00 ? 32 GLU A OE1 7 ATOM 9604 O OE2 . GLU A 1 32 ? 0.550 -7.505 -9.364 1.00 0.00 ? 32 GLU A OE2 7 ATOM 9605 H H . GLU A 1 32 ? 0.038 -9.441 -3.534 1.00 0.00 ? 32 GLU A H 7 ATOM 9606 H HA . GLU A 1 32 ? 1.514 -7.477 -4.687 1.00 0.00 ? 32 GLU A HA 7 ATOM 9607 H HB2 . GLU A 1 32 ? 0.923 -9.744 -5.653 1.00 0.00 ? 32 GLU A HB2 7 ATOM 9608 H HB3 . GLU A 1 32 ? -0.573 -9.020 -6.226 1.00 0.00 ? 32 GLU A HB3 7 ATOM 9609 H HG2 . GLU A 1 32 ? 1.990 -7.697 -6.931 1.00 0.00 ? 32 GLU A HG2 7 ATOM 9610 H HG3 . GLU A 1 32 ? 1.558 -9.193 -7.758 1.00 0.00 ? 32 GLU A HG3 7 ATOM 9611 N N . GLU A 1 33 ? -1.696 -6.862 -5.195 1.00 0.00 ? 33 GLU A N 7 ATOM 9612 C CA . GLU A 1 33 ? -2.653 -5.802 -5.493 1.00 0.00 ? 33 GLU A CA 7 ATOM 9613 C C . GLU A 1 33 ? -2.411 -4.585 -4.605 1.00 0.00 ? 33 GLU A C 7 ATOM 9614 O O . GLU A 1 33 ? -2.508 -3.445 -5.058 1.00 0.00 ? 33 GLU A O 7 ATOM 9615 C CB . GLU A 1 33 ? -4.084 -6.309 -5.304 1.00 0.00 ? 33 GLU A CB 7 ATOM 9616 C CG . GLU A 1 33 ? -4.478 -7.402 -6.283 1.00 0.00 ? 33 GLU A CG 7 ATOM 9617 C CD . GLU A 1 33 ? -4.614 -6.891 -7.704 1.00 0.00 ? 33 GLU A CD 7 ATOM 9618 O OE1 . GLU A 1 33 ? -5.564 -6.126 -7.970 1.00 0.00 ? 33 GLU A OE1 7 ATOM 9619 O OE2 . GLU A 1 33 ? -3.770 -7.256 -8.549 1.00 0.00 ? 33 GLU A OE2 7 ATOM 9620 H H . GLU A 1 33 ? -2.024 -7.771 -5.036 1.00 0.00 ? 33 GLU A H 7 ATOM 9621 H HA . GLU A 1 33 ? -2.517 -5.513 -6.524 1.00 0.00 ? 33 GLU A HA 7 ATOM 9622 H HB2 . GLU A 1 33 ? -4.186 -6.698 -4.301 1.00 0.00 ? 33 GLU A HB2 7 ATOM 9623 H HB3 . GLU A 1 33 ? -4.766 -5.481 -5.429 1.00 0.00 ? 33 GLU A HB3 7 ATOM 9624 H HG2 . GLU A 1 33 ? -3.722 -8.173 -6.265 1.00 0.00 ? 33 GLU A HG2 7 ATOM 9625 H HG3 . GLU A 1 33 ? -5.425 -7.821 -5.974 1.00 0.00 ? 33 GLU A HG3 7 ATOM 9626 N N . ALA A 1 34 ? -2.096 -4.837 -3.339 1.00 0.00 ? 34 ALA A N 7 ATOM 9627 C CA . ALA A 1 34 ? -1.838 -3.763 -2.388 1.00 0.00 ? 34 ALA A CA 7 ATOM 9628 C C . ALA A 1 34 ? -0.493 -3.099 -2.660 1.00 0.00 ? 34 ALA A C 7 ATOM 9629 O O . ALA A 1 34 ? -0.356 -1.881 -2.542 1.00 0.00 ? 34 ALA A O 7 ATOM 9630 C CB . ALA A 1 34 ? -1.887 -4.297 -0.964 1.00 0.00 ? 34 ALA A CB 7 ATOM 9631 H H . ALA A 1 34 ? -2.033 -5.767 -3.038 1.00 0.00 ? 34 ALA A H 7 ATOM 9632 H HA . ALA A 1 34 ? -2.621 -3.026 -2.497 1.00 0.00 ? 34 ALA A HA 7 ATOM 9633 H HB1 . ALA A 1 34 ? -0.880 -4.437 -0.598 1.00 0.00 ? 34 ALA A HB1 7 ATOM 9634 H HB2 . ALA A 1 34 ? -2.405 -3.590 -0.332 1.00 0.00 ? 34 ALA A HB2 7 ATOM 9635 H HB3 . ALA A 1 34 ? -2.410 -5.241 -0.951 1.00 0.00 ? 34 ALA A HB3 7 ATOM 9636 N N . ILE A 1 35 ? 0.497 -3.907 -3.024 1.00 0.00 ? 35 ILE A N 7 ATOM 9637 C CA . ILE A 1 35 ? 1.832 -3.397 -3.313 1.00 0.00 ? 35 ILE A CA 7 ATOM 9638 C C . ILE A 1 35 ? 1.768 -2.176 -4.225 1.00 0.00 ? 35 ILE A C 7 ATOM 9639 O O . ILE A 1 35 ? 2.212 -1.089 -3.855 1.00 0.00 ? 35 ILE A O 7 ATOM 9640 C CB . ILE A 1 35 ? 2.714 -4.471 -3.975 1.00 0.00 ? 35 ILE A CB 7 ATOM 9641 C CG1 . ILE A 1 35 ? 2.997 -5.608 -2.990 1.00 0.00 ? 35 ILE A CG1 7 ATOM 9642 C CG2 . ILE A 1 35 ? 4.015 -3.857 -4.471 1.00 0.00 ? 35 ILE A CG2 7 ATOM 9643 C CD1 . ILE A 1 35 ? 3.712 -6.785 -3.615 1.00 0.00 ? 35 ILE A CD1 7 ATOM 9644 H H . ILE A 1 35 ? 0.326 -4.869 -3.101 1.00 0.00 ? 35 ILE A H 7 ATOM 9645 H HA . ILE A 1 35 ? 2.289 -3.110 -2.377 1.00 0.00 ? 35 ILE A HA 7 ATOM 9646 H HB . ILE A 1 35 ? 2.183 -4.867 -4.827 1.00 0.00 ? 35 ILE A HB 7 ATOM 9647 H HG12 . ILE A 1 35 ? 3.612 -5.235 -2.187 1.00 0.00 ? 35 ILE A HG12 7 ATOM 9648 H HG13 . ILE A 1 35 ? 2.060 -5.964 -2.586 1.00 0.00 ? 35 ILE A HG13 7 ATOM 9649 H HG21 . ILE A 1 35 ? 4.450 -3.255 -3.687 1.00 0.00 ? 35 ILE A HG21 7 ATOM 9650 H HG22 . ILE A 1 35 ? 4.703 -4.643 -4.744 1.00 0.00 ? 35 ILE A HG22 7 ATOM 9651 H HG23 . ILE A 1 35 ? 3.815 -3.238 -5.332 1.00 0.00 ? 35 ILE A HG23 7 ATOM 9652 H HD11 . ILE A 1 35 ? 3.181 -7.696 -3.380 1.00 0.00 ? 35 ILE A HD11 7 ATOM 9653 H HD12 . ILE A 1 35 ? 3.752 -6.656 -4.686 1.00 0.00 ? 35 ILE A HD12 7 ATOM 9654 H HD13 . ILE A 1 35 ? 4.718 -6.844 -3.223 1.00 0.00 ? 35 ILE A HD13 7 ATOM 9655 N N . SER A 1 36 ? 1.210 -2.362 -5.417 1.00 0.00 ? 36 SER A N 7 ATOM 9656 C CA . SER A 1 36 ? 1.089 -1.277 -6.383 1.00 0.00 ? 36 SER A CA 7 ATOM 9657 C C . SER A 1 36 ? 0.364 -0.082 -5.769 1.00 0.00 ? 36 SER A C 7 ATOM 9658 O O . SER A 1 36 ? 0.888 1.032 -5.749 1.00 0.00 ? 36 SER A O 7 ATOM 9659 C CB . SER A 1 36 ? 0.343 -1.755 -7.629 1.00 0.00 ? 36 SER A CB 7 ATOM 9660 O OG . SER A 1 36 ? 1.242 -2.275 -8.594 1.00 0.00 ? 36 SER A OG 7 ATOM 9661 H H . SER A 1 36 ? 0.874 -3.252 -5.653 1.00 0.00 ? 36 SER A H 7 ATOM 9662 H HA . SER A 1 36 ? 2.086 -0.971 -6.665 1.00 0.00 ? 36 SER A HA 7 ATOM 9663 H HB2 . SER A 1 36 ? -0.356 -2.530 -7.352 1.00 0.00 ? 36 SER A HB2 7 ATOM 9664 H HB3 . SER A 1 36 ? -0.194 -0.925 -8.065 1.00 0.00 ? 36 SER A HB3 7 ATOM 9665 H HG . SER A 1 36 ? 1.824 -2.915 -8.177 1.00 0.00 ? 36 SER A HG 7 ATOM 9666 N N . CYS A 1 37 ? -0.843 -0.324 -5.271 1.00 0.00 ? 37 CYS A N 7 ATOM 9667 C CA . CYS A 1 37 ? -1.643 0.731 -4.658 1.00 0.00 ? 37 CYS A CA 7 ATOM 9668 C C . CYS A 1 37 ? -0.753 1.730 -3.925 1.00 0.00 ? 37 CYS A C 7 ATOM 9669 O O . CYS A 1 37 ? -0.739 2.918 -4.247 1.00 0.00 ? 37 CYS A O 7 ATOM 9670 C CB . CYS A 1 37 ? -2.662 0.130 -3.689 1.00 0.00 ? 37 CYS A CB 7 ATOM 9671 S SG . CYS A 1 37 ? -3.786 1.341 -2.954 1.00 0.00 ? 37 CYS A SG 7 ATOM 9672 H H . CYS A 1 37 ? -1.207 -1.233 -5.317 1.00 0.00 ? 37 CYS A H 7 ATOM 9673 H HA . CYS A 1 37 ? -2.169 1.248 -5.446 1.00 0.00 ? 37 CYS A HA 7 ATOM 9674 H HB2 . CYS A 1 37 ? -3.262 -0.598 -4.216 1.00 0.00 ? 37 CYS A HB2 7 ATOM 9675 H HB3 . CYS A 1 37 ? -2.135 -0.363 -2.885 1.00 0.00 ? 37 CYS A HB3 7 ATOM 9676 H HG . CYS A 1 37 ? -4.707 0.680 -2.271 1.00 0.00 ? 37 CYS A HG 7 ATOM 9677 N N . HIS A 1 38 ? -0.013 1.240 -2.935 1.00 0.00 ? 38 HIS A N 7 ATOM 9678 C CA . HIS A 1 38 ? 0.879 2.090 -2.154 1.00 0.00 ? 38 HIS A CA 7 ATOM 9679 C C . HIS A 1 38 ? 1.777 2.919 -3.068 1.00 0.00 ? 38 HIS A C 7 ATOM 9680 O O . HIS A 1 38 ? 2.026 4.097 -2.807 1.00 0.00 ? 38 HIS A O 7 ATOM 9681 C CB . HIS A 1 38 ? 1.734 1.241 -1.214 1.00 0.00 ? 38 HIS A CB 7 ATOM 9682 C CG . HIS A 1 38 ? 1.104 1.012 0.126 1.00 0.00 ? 38 HIS A CG 7 ATOM 9683 N ND1 . HIS A 1 38 ? 0.916 2.017 1.051 1.00 0.00 ? 38 HIS A ND1 7 ATOM 9684 C CD2 . HIS A 1 38 ? 0.616 -0.116 0.694 1.00 0.00 ? 38 HIS A CD2 7 ATOM 9685 C CE1 . HIS A 1 38 ? 0.342 1.518 2.130 1.00 0.00 ? 38 HIS A CE1 7 ATOM 9686 N NE2 . HIS A 1 38 ? 0.149 0.225 1.939 1.00 0.00 ? 38 HIS A NE2 7 ATOM 9687 H H . HIS A 1 38 ? -0.068 0.285 -2.726 1.00 0.00 ? 38 HIS A H 7 ATOM 9688 H HA . HIS A 1 38 ? 0.269 2.759 -1.567 1.00 0.00 ? 38 HIS A HA 7 ATOM 9689 H HB2 . HIS A 1 38 ? 1.906 0.276 -1.668 1.00 0.00 ? 38 HIS A HB2 7 ATOM 9690 H HB3 . HIS A 1 38 ? 2.682 1.734 -1.056 1.00 0.00 ? 38 HIS A HB3 7 ATOM 9691 H HD1 . HIS A 1 38 ? 1.168 2.957 0.934 1.00 0.00 ? 38 HIS A HD1 7 ATOM 9692 H HD2 . HIS A 1 38 ? 0.598 -1.101 0.250 1.00 0.00 ? 38 HIS A HD2 7 ATOM 9693 H HE1 . HIS A 1 38 ? 0.075 2.071 3.018 1.00 0.00 ? 38 HIS A HE1 7 ATOM 9694 H HE2 . HIS A 1 38 ? -0.182 -0.402 2.615 1.00 0.00 ? 38 HIS A HE2 7 ATOM 9695 N N . ARG A 1 39 ? 2.260 2.297 -4.138 1.00 0.00 ? 39 ARG A N 7 ATOM 9696 C CA . ARG A 1 39 ? 3.132 2.977 -5.089 1.00 0.00 ? 39 ARG A CA 7 ATOM 9697 C C . ARG A 1 39 ? 2.377 4.080 -5.825 1.00 0.00 ? 39 ARG A C 7 ATOM 9698 O O . ARG A 1 39 ? 2.982 5.006 -6.366 1.00 0.00 ? 39 ARG A O 7 ATOM 9699 C CB . ARG A 1 39 ? 3.704 1.976 -6.094 1.00 0.00 ? 39 ARG A CB 7 ATOM 9700 C CG . ARG A 1 39 ? 4.552 0.888 -5.456 1.00 0.00 ? 39 ARG A CG 7 ATOM 9701 C CD . ARG A 1 39 ? 5.318 0.093 -6.501 1.00 0.00 ? 39 ARG A CD 7 ATOM 9702 N NE . ARG A 1 39 ? 6.581 0.734 -6.859 1.00 0.00 ? 39 ARG A NE 7 ATOM 9703 C CZ . ARG A 1 39 ? 7.464 0.203 -7.697 1.00 0.00 ? 39 ARG A CZ 7 ATOM 9704 N NH1 . ARG A 1 39 ? 7.222 -0.973 -8.261 1.00 0.00 ? 39 ARG A NH1 7 ATOM 9705 N NH2 . ARG A 1 39 ? 8.590 0.847 -7.973 1.00 0.00 ? 39 ARG A NH2 7 ATOM 9706 H H . ARG A 1 39 ? 2.026 1.358 -4.292 1.00 0.00 ? 39 ARG A H 7 ATOM 9707 H HA . ARG A 1 39 ? 3.945 3.421 -4.534 1.00 0.00 ? 39 ARG A HA 7 ATOM 9708 H HB2 . ARG A 1 39 ? 2.887 1.503 -6.619 1.00 0.00 ? 39 ARG A HB2 7 ATOM 9709 H HB3 . ARG A 1 39 ? 4.317 2.509 -6.805 1.00 0.00 ? 39 ARG A HB3 7 ATOM 9710 H HG2 . ARG A 1 39 ? 5.258 1.345 -4.779 1.00 0.00 ? 39 ARG A HG2 7 ATOM 9711 H HG3 . ARG A 1 39 ? 3.907 0.217 -4.908 1.00 0.00 ? 39 ARG A HG3 7 ATOM 9712 H HD2 . ARG A 1 39 ? 5.524 -0.890 -6.107 1.00 0.00 ? 39 ARG A HD2 7 ATOM 9713 H HD3 . ARG A 1 39 ? 4.706 0.005 -7.387 1.00 0.00 ? 39 ARG A HD3 7 ATOM 9714 H HE . ARG A 1 39 ? 6.779 1.604 -6.453 1.00 0.00 ? 39 ARG A HE 7 ATOM 9715 H HH11 . ARG A 1 39 ? 6.374 -1.460 -8.057 1.00 0.00 ? 39 ARG A HH11 7 ATOM 9716 H HH12 . ARG A 1 39 ? 7.888 -1.370 -8.893 1.00 0.00 ? 39 ARG A HH12 7 ATOM 9717 H HH21 . ARG A 1 39 ? 8.776 1.733 -7.549 1.00 0.00 ? 39 ARG A HH21 7 ATOM 9718 H HH22 . ARG A 1 39 ? 9.254 0.446 -8.603 1.00 0.00 ? 39 ARG A HH22 7 ATOM 9719 N N . LYS A 1 40 ? 1.053 3.974 -5.843 1.00 0.00 ? 40 LYS A N 7 ATOM 9720 C CA . LYS A 1 40 ? 0.215 4.961 -6.512 1.00 0.00 ? 40 LYS A CA 7 ATOM 9721 C C . LYS A 1 40 ? 0.171 6.264 -5.720 1.00 0.00 ? 40 LYS A C 7 ATOM 9722 O O . LYS A 1 40 ? 0.145 7.351 -6.296 1.00 0.00 ? 40 LYS A O 7 ATOM 9723 C CB . LYS A 1 40 ? -1.203 4.416 -6.695 1.00 0.00 ? 40 LYS A CB 7 ATOM 9724 C CG . LYS A 1 40 ? -1.245 3.005 -7.256 1.00 0.00 ? 40 LYS A CG 7 ATOM 9725 C CD . LYS A 1 40 ? -1.078 3.000 -8.766 1.00 0.00 ? 40 LYS A CD 7 ATOM 9726 C CE . LYS A 1 40 ? 0.388 3.073 -9.166 1.00 0.00 ? 40 LYS A CE 7 ATOM 9727 N NZ . LYS A 1 40 ? 0.628 2.474 -10.508 1.00 0.00 ? 40 LYS A NZ 7 ATOM 9728 H H . LYS A 1 40 ? 0.629 3.212 -5.393 1.00 0.00 ? 40 LYS A H 7 ATOM 9729 H HA . LYS A 1 40 ? 0.644 5.158 -7.482 1.00 0.00 ? 40 LYS A HA 7 ATOM 9730 H HB2 . LYS A 1 40 ? -1.703 4.416 -5.738 1.00 0.00 ? 40 LYS A HB2 7 ATOM 9731 H HB3 . LYS A 1 40 ? -1.741 5.066 -7.371 1.00 0.00 ? 40 LYS A HB3 7 ATOM 9732 H HG2 . LYS A 1 40 ? -0.446 2.428 -6.815 1.00 0.00 ? 40 LYS A HG2 7 ATOM 9733 H HG3 . LYS A 1 40 ? -2.196 2.556 -7.006 1.00 0.00 ? 40 LYS A HG3 7 ATOM 9734 H HD2 . LYS A 1 40 ? -1.503 2.090 -9.164 1.00 0.00 ? 40 LYS A HD2 7 ATOM 9735 H HD3 . LYS A 1 40 ? -1.598 3.853 -9.180 1.00 0.00 ? 40 LYS A HD3 7 ATOM 9736 H HE2 . LYS A 1 40 ? 0.691 4.109 -9.185 1.00 0.00 ? 40 LYS A HE2 7 ATOM 9737 H HE3 . LYS A 1 40 ? 0.974 2.540 -8.432 1.00 0.00 ? 40 LYS A HE3 7 ATOM 9738 H HZ1 . LYS A 1 40 ? 0.619 1.436 -10.441 1.00 0.00 ? 40 LYS A HZ1 7 ATOM 9739 H HZ2 . LYS A 1 40 ? 1.551 2.778 -10.875 1.00 0.00 ? 40 LYS A HZ2 7 ATOM 9740 H HZ3 . LYS A 1 40 ? -0.114 2.774 -11.171 1.00 0.00 ? 40 LYS A HZ3 7 ATOM 9741 N N . ALA A 1 41 ? 0.166 6.147 -4.396 1.00 0.00 ? 41 ALA A N 7 ATOM 9742 C CA . ALA A 1 41 ? 0.129 7.315 -3.525 1.00 0.00 ? 41 ALA A CA 7 ATOM 9743 C C . ALA A 1 41 ? 1.487 8.008 -3.479 1.00 0.00 ? 41 ALA A C 7 ATOM 9744 O O . ALA A 1 41 ? 1.585 9.221 -3.665 1.00 0.00 ? 41 ALA A O 7 ATOM 9745 C CB . ALA A 1 41 ? -0.310 6.916 -2.125 1.00 0.00 ? 41 ALA A CB 7 ATOM 9746 H H . ALA A 1 41 ? 0.188 5.253 -3.995 1.00 0.00 ? 41 ALA A H 7 ATOM 9747 H HA . ALA A 1 41 ? -0.601 8.005 -3.923 1.00 0.00 ? 41 ALA A HA 7 ATOM 9748 H HB1 . ALA A 1 41 ? -0.846 5.979 -2.170 1.00 0.00 ? 41 ALA A HB1 7 ATOM 9749 H HB2 . ALA A 1 41 ? 0.558 6.805 -1.493 1.00 0.00 ? 41 ALA A HB2 7 ATOM 9750 H HB3 . ALA A 1 41 ? -0.955 7.681 -1.719 1.00 0.00 ? 41 ALA A HB3 7 ATOM 9751 N N . THR A 1 42 ? 2.535 7.229 -3.228 1.00 0.00 ? 42 THR A N 7 ATOM 9752 C CA . THR A 1 42 ? 3.887 7.768 -3.154 1.00 0.00 ? 42 THR A CA 7 ATOM 9753 C C . THR A 1 42 ? 4.234 8.557 -4.412 1.00 0.00 ? 42 THR A C 7 ATOM 9754 O O . THR A 1 42 ? 5.065 9.465 -4.379 1.00 0.00 ? 42 THR A O 7 ATOM 9755 C CB . THR A 1 42 ? 4.928 6.648 -2.962 1.00 0.00 ? 42 THR A CB 7 ATOM 9756 O OG1 . THR A 1 42 ? 5.109 5.931 -4.188 1.00 0.00 ? 42 THR A OG1 7 ATOM 9757 C CG2 . THR A 1 42 ? 4.493 5.687 -1.866 1.00 0.00 ? 42 THR A CG2 7 ATOM 9758 H H . THR A 1 42 ? 2.394 6.270 -3.088 1.00 0.00 ? 42 THR A H 7 ATOM 9759 H HA . THR A 1 42 ? 3.938 8.428 -2.301 1.00 0.00 ? 42 THR A HA 7 ATOM 9760 H HB . THR A 1 42 ? 5.868 7.097 -2.674 1.00 0.00 ? 42 THR A HB 7 ATOM 9761 H HG1 . THR A 1 42 ? 4.256 5.635 -4.515 1.00 0.00 ? 42 THR A HG1 7 ATOM 9762 H HG21 . THR A 1 42 ? 3.607 6.071 -1.381 1.00 0.00 ? 42 THR A HG21 7 ATOM 9763 H HG22 . THR A 1 42 ? 5.286 5.586 -1.140 1.00 0.00 ? 42 THR A HG22 7 ATOM 9764 H HG23 . THR A 1 42 ? 4.276 4.723 -2.299 1.00 0.00 ? 42 THR A HG23 7 ATOM 9765 N N . THR A 1 43 ? 3.590 8.206 -5.521 1.00 0.00 ? 43 THR A N 7 ATOM 9766 C CA . THR A 1 43 ? 3.831 8.882 -6.790 1.00 0.00 ? 43 THR A CA 7 ATOM 9767 C C . THR A 1 43 ? 3.115 10.227 -6.841 1.00 0.00 ? 43 THR A C 7 ATOM 9768 O O . THR A 1 43 ? 3.697 11.237 -7.238 1.00 0.00 ? 43 THR A O 7 ATOM 9769 C CB . THR A 1 43 ? 3.368 8.022 -7.981 1.00 0.00 ? 43 THR A CB 7 ATOM 9770 O OG1 . THR A 1 43 ? 4.092 6.786 -8.002 1.00 0.00 ? 43 THR A OG1 7 ATOM 9771 C CG2 . THR A 1 43 ? 3.577 8.760 -9.295 1.00 0.00 ? 43 THR A CG2 7 ATOM 9772 H H . THR A 1 43 ? 2.939 7.475 -5.484 1.00 0.00 ? 43 THR A H 7 ATOM 9773 H HA . THR A 1 43 ? 4.894 9.048 -6.883 1.00 0.00 ? 43 THR A HA 7 ATOM 9774 H HB . THR A 1 43 ? 2.315 7.812 -7.866 1.00 0.00 ? 43 THR A HB 7 ATOM 9775 H HG1 . THR A 1 43 ? 4.269 6.503 -7.102 1.00 0.00 ? 43 THR A HG1 7 ATOM 9776 H HG21 . THR A 1 43 ? 4.507 8.444 -9.742 1.00 0.00 ? 43 THR A HG21 7 ATOM 9777 H HG22 . THR A 1 43 ? 3.609 9.823 -9.109 1.00 0.00 ? 43 THR A HG22 7 ATOM 9778 H HG23 . THR A 1 43 ? 2.761 8.536 -9.966 1.00 0.00 ? 43 THR A HG23 7 ATOM 9779 N N . TYR A 1 44 ? 1.849 10.234 -6.436 1.00 0.00 ? 44 TYR A N 7 ATOM 9780 C CA . TYR A 1 44 ? 1.053 11.455 -6.438 1.00 0.00 ? 44 TYR A CA 7 ATOM 9781 C C . TYR A 1 44 ? 1.590 12.456 -5.419 1.00 0.00 ? 44 TYR A C 7 ATOM 9782 O O . TYR A 1 44 ? 1.658 13.657 -5.687 1.00 0.00 ? 44 TYR A O 7 ATOM 9783 C CB . TYR A 1 44 ? -0.411 11.135 -6.132 1.00 0.00 ? 44 TYR A CB 7 ATOM 9784 C CG . TYR A 1 44 ? -1.289 12.361 -6.022 1.00 0.00 ? 44 TYR A CG 7 ATOM 9785 C CD1 . TYR A 1 44 ? -1.115 13.443 -6.877 1.00 0.00 ? 44 TYR A CD1 7 ATOM 9786 C CD2 . TYR A 1 44 ? -2.292 12.438 -5.064 1.00 0.00 ? 44 TYR A CD2 7 ATOM 9787 C CE1 . TYR A 1 44 ? -1.914 14.565 -6.780 1.00 0.00 ? 44 TYR A CE1 7 ATOM 9788 C CE2 . TYR A 1 44 ? -3.097 13.556 -4.961 1.00 0.00 ? 44 TYR A CE2 7 ATOM 9789 C CZ . TYR A 1 44 ? -2.904 14.617 -5.821 1.00 0.00 ? 44 TYR A CZ 7 ATOM 9790 O OH . TYR A 1 44 ? -3.702 15.733 -5.720 1.00 0.00 ? 44 TYR A OH 7 ATOM 9791 H H . TYR A 1 44 ? 1.440 9.397 -6.131 1.00 0.00 ? 44 TYR A H 7 ATOM 9792 H HA . TYR A 1 44 ? 1.118 11.892 -7.424 1.00 0.00 ? 44 TYR A HA 7 ATOM 9793 H HB2 . TYR A 1 44 ? -0.808 10.513 -6.919 1.00 0.00 ? 44 TYR A HB2 7 ATOM 9794 H HB3 . TYR A 1 44 ? -0.467 10.601 -5.195 1.00 0.00 ? 44 TYR A HB3 7 ATOM 9795 H HD1 . TYR A 1 44 ? -0.338 13.399 -7.627 1.00 0.00 ? 44 TYR A HD1 7 ATOM 9796 H HD2 . TYR A 1 44 ? -2.440 11.605 -4.392 1.00 0.00 ? 44 TYR A HD2 7 ATOM 9797 H HE1 . TYR A 1 44 ? -1.763 15.397 -7.453 1.00 0.00 ? 44 TYR A HE1 7 ATOM 9798 H HE2 . TYR A 1 44 ? -3.872 13.597 -4.210 1.00 0.00 ? 44 TYR A HE2 7 ATOM 9799 H HH . TYR A 1 44 ? -3.176 16.477 -5.417 1.00 0.00 ? 44 TYR A HH 7 ATOM 9800 N N . LEU A 1 45 ? 1.970 11.954 -4.250 1.00 0.00 ? 45 LEU A N 7 ATOM 9801 C CA . LEU A 1 45 ? 2.502 12.803 -3.189 1.00 0.00 ? 45 LEU A CA 7 ATOM 9802 C C . LEU A 1 45 ? 3.819 13.445 -3.615 1.00 0.00 ? 45 LEU A C 7 ATOM 9803 O O . LEU A 1 45 ? 3.975 14.664 -3.551 1.00 0.00 ? 45 LEU A O 7 ATOM 9804 C CB . LEU A 1 45 ? 2.708 11.988 -1.912 1.00 0.00 ? 45 LEU A CB 7 ATOM 9805 C CG . LEU A 1 45 ? 1.447 11.395 -1.283 1.00 0.00 ? 45 LEU A CG 7 ATOM 9806 C CD1 . LEU A 1 45 ? 1.811 10.392 -0.199 1.00 0.00 ? 45 LEU A CD1 7 ATOM 9807 C CD2 . LEU A 1 45 ? 0.565 12.498 -0.716 1.00 0.00 ? 45 LEU A CD2 7 ATOM 9808 H H . LEU A 1 45 ? 1.892 10.990 -4.095 1.00 0.00 ? 45 LEU A H 7 ATOM 9809 H HA . LEU A 1 45 ? 1.781 13.583 -2.996 1.00 0.00 ? 45 LEU A HA 7 ATOM 9810 H HB2 . LEU A 1 45 ? 3.376 11.172 -2.144 1.00 0.00 ? 45 LEU A HB2 7 ATOM 9811 H HB3 . LEU A 1 45 ? 3.172 12.633 -1.180 1.00 0.00 ? 45 LEU A HB3 7 ATOM 9812 H HG . LEU A 1 45 ? 0.884 10.873 -2.044 1.00 0.00 ? 45 LEU A HG 7 ATOM 9813 H HD11 . LEU A 1 45 ? 0.953 9.778 0.027 1.00 0.00 ? 45 LEU A HD11 7 ATOM 9814 H HD12 . LEU A 1 45 ? 2.120 10.921 0.691 1.00 0.00 ? 45 LEU A HD12 7 ATOM 9815 H HD13 . LEU A 1 45 ? 2.621 9.767 -0.545 1.00 0.00 ? 45 LEU A HD13 7 ATOM 9816 H HD21 . LEU A 1 45 ? -0.457 12.337 -1.028 1.00 0.00 ? 45 LEU A HD21 7 ATOM 9817 H HD22 . LEU A 1 45 ? 0.906 13.456 -1.082 1.00 0.00 ? 45 LEU A HD22 7 ATOM 9818 H HD23 . LEU A 1 45 ? 0.618 12.484 0.362 1.00 0.00 ? 45 LEU A HD23 7 ATOM 9819 N N . SER A 1 46 ? 4.762 12.616 -4.050 1.00 0.00 ? 46 SER A N 7 ATOM 9820 C CA . SER A 1 46 ? 6.066 13.102 -4.484 1.00 0.00 ? 46 SER A CA 7 ATOM 9821 C C . SER A 1 46 ? 5.914 14.207 -5.525 1.00 0.00 ? 46 SER A C 7 ATOM 9822 O O . SER A 1 46 ? 6.812 15.029 -5.709 1.00 0.00 ? 46 SER A O 7 ATOM 9823 C CB . SER A 1 46 ? 6.897 11.954 -5.060 1.00 0.00 ? 46 SER A CB 7 ATOM 9824 O OG . SER A 1 46 ? 6.440 11.593 -6.352 1.00 0.00 ? 46 SER A OG 7 ATOM 9825 H H . SER A 1 46 ? 4.577 11.654 -4.077 1.00 0.00 ? 46 SER A H 7 ATOM 9826 H HA . SER A 1 46 ? 6.574 13.505 -3.621 1.00 0.00 ? 46 SER A HA 7 ATOM 9827 H HB2 . SER A 1 46 ? 7.930 12.259 -5.129 1.00 0.00 ? 46 SER A HB2 7 ATOM 9828 H HB3 . SER A 1 46 ? 6.817 11.095 -4.410 1.00 0.00 ? 46 SER A HB3 7 ATOM 9829 H HG . SER A 1 46 ? 5.546 11.250 -6.292 1.00 0.00 ? 46 SER A HG 7 ATOM 9830 N N . GLU A 1 47 ? 4.771 14.219 -6.204 1.00 0.00 ? 47 GLU A N 7 ATOM 9831 C CA . GLU A 1 47 ? 4.502 15.223 -7.228 1.00 0.00 ? 47 GLU A CA 7 ATOM 9832 C C . GLU A 1 47 ? 4.029 16.529 -6.597 1.00 0.00 ? 47 GLU A C 7 ATOM 9833 O O . GLU A 1 47 ? 4.295 17.613 -7.117 1.00 0.00 ? 47 GLU A O 7 ATOM 9834 C CB . GLU A 1 47 ? 3.450 14.708 -8.213 1.00 0.00 ? 47 GLU A CB 7 ATOM 9835 C CG . GLU A 1 47 ? 4.036 13.925 -9.375 1.00 0.00 ? 47 GLU A CG 7 ATOM 9836 C CD . GLU A 1 47 ? 4.856 14.792 -10.310 1.00 0.00 ? 47 GLU A CD 7 ATOM 9837 O OE1 . GLU A 1 47 ? 6.016 15.103 -9.967 1.00 0.00 ? 47 GLU A OE1 7 ATOM 9838 O OE2 . GLU A 1 47 ? 4.337 15.161 -11.384 1.00 0.00 ? 47 GLU A OE2 7 ATOM 9839 H H . GLU A 1 47 ? 4.094 13.538 -6.012 1.00 0.00 ? 47 GLU A H 7 ATOM 9840 H HA . GLU A 1 47 ? 5.422 15.407 -7.761 1.00 0.00 ? 47 GLU A HA 7 ATOM 9841 H HB2 . GLU A 1 47 ? 2.761 14.067 -7.683 1.00 0.00 ? 47 GLU A HB2 7 ATOM 9842 H HB3 . GLU A 1 47 ? 2.907 15.552 -8.613 1.00 0.00 ? 47 GLU A HB3 7 ATOM 9843 H HG2 . GLU A 1 47 ? 4.672 13.145 -8.983 1.00 0.00 ? 47 GLU A HG2 7 ATOM 9844 H HG3 . GLU A 1 47 ? 3.228 13.480 -9.937 1.00 0.00 ? 47 GLU A HG3 7 ATOM 9845 N N . ALA A 1 48 ? 3.326 16.418 -5.475 1.00 0.00 ? 48 ALA A N 7 ATOM 9846 C CA . ALA A 1 48 ? 2.817 17.589 -4.773 1.00 0.00 ? 48 ALA A CA 7 ATOM 9847 C C . ALA A 1 48 ? 3.957 18.486 -4.303 1.00 0.00 ? 48 ALA A C 7 ATOM 9848 O O . ALA A 1 48 ? 3.966 19.687 -4.574 1.00 0.00 ? 48 ALA A O 7 ATOM 9849 C CB . ALA A 1 48 ? 1.956 17.164 -3.593 1.00 0.00 ? 48 ALA A CB 7 ATOM 9850 H H . ALA A 1 48 ? 3.146 15.526 -5.110 1.00 0.00 ? 48 ALA A H 7 ATOM 9851 H HA . ALA A 1 48 ? 2.194 18.145 -5.459 1.00 0.00 ? 48 ALA A HA 7 ATOM 9852 H HB1 . ALA A 1 48 ? 1.079 16.648 -3.955 1.00 0.00 ? 48 ALA A HB1 7 ATOM 9853 H HB2 . ALA A 1 48 ? 2.523 16.506 -2.952 1.00 0.00 ? 48 ALA A HB2 7 ATOM 9854 H HB3 . ALA A 1 48 ? 1.654 18.038 -3.035 1.00 0.00 ? 48 ALA A HB3 7 ATOM 9855 N N . MET A 1 49 ? 4.916 17.896 -3.598 1.00 0.00 ? 49 MET A N 7 ATOM 9856 C CA . MET A 1 49 ? 6.061 18.643 -3.091 1.00 0.00 ? 49 MET A CA 7 ATOM 9857 C C . MET A 1 49 ? 6.864 19.250 -4.236 1.00 0.00 ? 49 MET A C 7 ATOM 9858 O O . MET A 1 49 ? 7.505 20.289 -4.076 1.00 0.00 ? 49 MET A O 7 ATOM 9859 C CB . MET A 1 49 ? 6.958 17.733 -2.249 1.00 0.00 ? 49 MET A CB 7 ATOM 9860 C CG . MET A 1 49 ? 7.405 16.477 -2.979 1.00 0.00 ? 49 MET A CG 7 ATOM 9861 S SD . MET A 1 49 ? 8.187 15.277 -1.883 1.00 0.00 ? 49 MET A SD 7 ATOM 9862 C CE . MET A 1 49 ? 7.018 15.247 -0.526 1.00 0.00 ? 49 MET A CE 7 ATOM 9863 H H . MET A 1 49 ? 4.853 16.935 -3.414 1.00 0.00 ? 49 MET A H 7 ATOM 9864 H HA . MET A 1 49 ? 5.686 19.440 -2.467 1.00 0.00 ? 49 MET A HA 7 ATOM 9865 H HB2 . MET A 1 49 ? 7.839 18.286 -1.957 1.00 0.00 ? 49 MET A HB2 7 ATOM 9866 H HB3 . MET A 1 49 ? 6.419 17.435 -1.363 1.00 0.00 ? 49 MET A HB3 7 ATOM 9867 H HG2 . MET A 1 49 ? 6.542 16.015 -3.437 1.00 0.00 ? 49 MET A HG2 7 ATOM 9868 H HG3 . MET A 1 49 ? 8.111 16.756 -3.748 1.00 0.00 ? 49 MET A HG3 7 ATOM 9869 H HE1 . MET A 1 49 ? 6.040 15.528 -0.887 1.00 0.00 ? 49 MET A HE1 7 ATOM 9870 H HE2 . MET A 1 49 ? 6.976 14.252 -0.109 1.00 0.00 ? 49 MET A HE2 7 ATOM 9871 H HE3 . MET A 1 49 ? 7.335 15.944 0.236 1.00 0.00 ? 49 MET A HE3 7 ATOM 9872 N N . LYS A 1 50 ? 6.826 18.596 -5.392 1.00 0.00 ? 50 LYS A N 7 ATOM 9873 C CA . LYS A 1 50 ? 7.549 19.071 -6.565 1.00 0.00 ? 50 LYS A CA 7 ATOM 9874 C C . LYS A 1 50 ? 6.842 20.269 -7.192 1.00 0.00 ? 50 LYS A C 7 ATOM 9875 O O . LYS A 1 50 ? 7.375 20.913 -8.097 1.00 0.00 ? 50 LYS A O 7 ATOM 9876 C CB . LYS A 1 50 ? 7.684 17.948 -7.596 1.00 0.00 ? 50 LYS A CB 7 ATOM 9877 C CG . LYS A 1 50 ? 8.732 16.911 -7.233 1.00 0.00 ? 50 LYS A CG 7 ATOM 9878 C CD . LYS A 1 50 ? 8.792 15.794 -8.261 1.00 0.00 ? 50 LYS A CD 7 ATOM 9879 C CE . LYS A 1 50 ? 10.136 15.081 -8.232 1.00 0.00 ? 50 LYS A CE 7 ATOM 9880 N NZ . LYS A 1 50 ? 11.179 15.832 -8.985 1.00 0.00 ? 50 LYS A NZ 7 ATOM 9881 H H . LYS A 1 50 ? 6.297 17.772 -5.458 1.00 0.00 ? 50 LYS A H 7 ATOM 9882 H HA . LYS A 1 50 ? 8.535 19.376 -6.247 1.00 0.00 ? 50 LYS A HA 7 ATOM 9883 H HB2 . LYS A 1 50 ? 6.732 17.448 -7.693 1.00 0.00 ? 50 LYS A HB2 7 ATOM 9884 H HB3 . LYS A 1 50 ? 7.952 18.381 -8.550 1.00 0.00 ? 50 LYS A HB3 7 ATOM 9885 H HG2 . LYS A 1 50 ? 9.698 17.391 -7.182 1.00 0.00 ? 50 LYS A HG2 7 ATOM 9886 H HG3 . LYS A 1 50 ? 8.488 16.488 -6.269 1.00 0.00 ? 50 LYS A HG3 7 ATOM 9887 H HD2 . LYS A 1 50 ? 8.013 15.078 -8.049 1.00 0.00 ? 50 LYS A HD2 7 ATOM 9888 H HD3 . LYS A 1 50 ? 8.639 16.215 -9.245 1.00 0.00 ? 50 LYS A HD3 7 ATOM 9889 H HE2 . LYS A 1 50 ? 10.451 14.977 -7.205 1.00 0.00 ? 50 LYS A HE2 7 ATOM 9890 H HE3 . LYS A 1 50 ? 10.018 14.103 -8.674 1.00 0.00 ? 50 LYS A HE3 7 ATOM 9891 H HZ1 . LYS A 1 50 ? 10.783 16.196 -9.876 1.00 0.00 ? 50 LYS A HZ1 7 ATOM 9892 H HZ2 . LYS A 1 50 ? 11.980 15.206 -9.205 1.00 0.00 ? 50 LYS A HZ2 7 ATOM 9893 H HZ3 . LYS A 1 50 ? 11.523 16.632 -8.418 1.00 0.00 ? 50 LYS A HZ3 7 ATOM 9894 N N . LEU A 1 51 ? 5.642 20.563 -6.705 1.00 0.00 ? 51 LEU A N 7 ATOM 9895 C CA . LEU A 1 51 ? 4.863 21.685 -7.216 1.00 0.00 ? 51 LEU A CA 7 ATOM 9896 C C . LEU A 1 51 ? 4.723 22.777 -6.160 1.00 0.00 ? 51 LEU A C 7 ATOM 9897 O O . LEU A 1 51 ? 5.068 23.935 -6.399 1.00 0.00 ? 51 LEU A O 7 ATOM 9898 C CB . LEU A 1 51 ? 3.478 21.209 -7.660 1.00 0.00 ? 51 LEU A CB 7 ATOM 9899 C CG . LEU A 1 51 ? 3.362 20.742 -9.111 1.00 0.00 ? 51 LEU A CG 7 ATOM 9900 C CD1 . LEU A 1 51 ? 3.346 21.933 -10.056 1.00 0.00 ? 51 LEU A CD1 7 ATOM 9901 C CD2 . LEU A 1 51 ? 4.503 19.798 -9.460 1.00 0.00 ? 51 LEU A CD2 7 ATOM 9902 H H . LEU A 1 51 ? 5.270 20.013 -5.984 1.00 0.00 ? 51 LEU A H 7 ATOM 9903 H HA . LEU A 1 51 ? 5.386 22.090 -8.069 1.00 0.00 ? 51 LEU A HA 7 ATOM 9904 H HB2 . LEU A 1 51 ? 3.192 20.386 -7.024 1.00 0.00 ? 51 LEU A HB2 7 ATOM 9905 H HB3 . LEU A 1 51 ? 2.787 22.028 -7.519 1.00 0.00 ? 51 LEU A HB3 7 ATOM 9906 H HG . LEU A 1 51 ? 2.432 20.204 -9.236 1.00 0.00 ? 51 LEU A HG 7 ATOM 9907 H HD11 . LEU A 1 51 ? 2.342 22.088 -10.422 1.00 0.00 ? 51 LEU A HD11 7 ATOM 9908 H HD12 . LEU A 1 51 ? 4.007 21.742 -10.888 1.00 0.00 ? 51 LEU A HD12 7 ATOM 9909 H HD13 . LEU A 1 51 ? 3.677 22.816 -9.528 1.00 0.00 ? 51 LEU A HD13 7 ATOM 9910 H HD21 . LEU A 1 51 ? 4.530 19.646 -10.529 1.00 0.00 ? 51 LEU A HD21 7 ATOM 9911 H HD22 . LEU A 1 51 ? 4.350 18.849 -8.966 1.00 0.00 ? 51 LEU A HD22 7 ATOM 9912 H HD23 . LEU A 1 51 ? 5.439 20.228 -9.134 1.00 0.00 ? 51 LEU A HD23 7 ATOM 9913 N N . THR A 1 52 ? 4.217 22.401 -4.990 1.00 0.00 ? 52 THR A N 7 ATOM 9914 C CA . THR A 1 52 ? 4.033 23.347 -3.897 1.00 0.00 ? 52 THR A CA 7 ATOM 9915 C C . THR A 1 52 ? 5.218 24.300 -3.790 1.00 0.00 ? 52 THR A C 7 ATOM 9916 O O . THR A 1 52 ? 6.372 23.874 -3.807 1.00 0.00 ? 52 THR A O 7 ATOM 9917 C CB . THR A 1 52 ? 3.849 22.622 -2.551 1.00 0.00 ? 52 THR A CB 7 ATOM 9918 O OG1 . THR A 1 52 ? 3.107 23.448 -1.647 1.00 0.00 ? 52 THR A OG1 7 ATOM 9919 C CG2 . THR A 1 52 ? 5.196 22.272 -1.936 1.00 0.00 ? 52 THR A CG2 7 ATOM 9920 H H . THR A 1 52 ? 3.961 21.464 -4.860 1.00 0.00 ? 52 THR A H 7 ATOM 9921 H HA . THR A 1 52 ? 3.140 23.920 -4.099 1.00 0.00 ? 52 THR A HA 7 ATOM 9922 H HB . THR A 1 52 ? 3.300 21.708 -2.724 1.00 0.00 ? 52 THR A HB 7 ATOM 9923 H HG1 . THR A 1 52 ? 3.333 23.217 -0.743 1.00 0.00 ? 52 THR A HG1 7 ATOM 9924 H HG21 . THR A 1 52 ? 5.894 22.016 -2.720 1.00 0.00 ? 52 THR A HG21 7 ATOM 9925 H HG22 . THR A 1 52 ? 5.079 21.430 -1.270 1.00 0.00 ? 52 THR A HG22 7 ATOM 9926 H HG23 . THR A 1 52 ? 5.571 23.120 -1.384 1.00 0.00 ? 52 THR A HG23 7 ATOM 9927 N N . GLU A 1 53 ? 4.925 25.592 -3.680 1.00 0.00 ? 53 GLU A N 7 ATOM 9928 C CA . GLU A 1 53 ? 5.968 26.605 -3.570 1.00 0.00 ? 53 GLU A CA 7 ATOM 9929 C C . GLU A 1 53 ? 6.178 27.015 -2.115 1.00 0.00 ? 53 GLU A C 7 ATOM 9930 O O . GLU A 1 53 ? 6.539 28.155 -1.826 1.00 0.00 ? 53 GLU A O 7 ATOM 9931 C CB . GLU A 1 53 ? 5.608 27.833 -4.410 1.00 0.00 ? 53 GLU A CB 7 ATOM 9932 C CG . GLU A 1 53 ? 6.108 27.757 -5.843 1.00 0.00 ? 53 GLU A CG 7 ATOM 9933 C CD . GLU A 1 53 ? 5.235 28.536 -6.807 1.00 0.00 ? 53 GLU A CD 7 ATOM 9934 O OE1 . GLU A 1 53 ? 4.121 28.063 -7.115 1.00 0.00 ? 53 GLU A OE1 7 ATOM 9935 O OE2 . GLU A 1 53 ? 5.666 29.620 -7.253 1.00 0.00 ? 53 GLU A OE2 7 ATOM 9936 H H . GLU A 1 53 ? 3.985 25.871 -3.672 1.00 0.00 ? 53 GLU A H 7 ATOM 9937 H HA . GLU A 1 53 ? 6.885 26.179 -3.947 1.00 0.00 ? 53 GLU A HA 7 ATOM 9938 H HB2 . GLU A 1 53 ? 4.534 27.938 -4.430 1.00 0.00 ? 53 GLU A HB2 7 ATOM 9939 H HB3 . GLU A 1 53 ? 6.038 28.709 -3.947 1.00 0.00 ? 53 GLU A HB3 7 ATOM 9940 H HG2 . GLU A 1 53 ? 7.109 28.159 -5.883 1.00 0.00 ? 53 GLU A HG2 7 ATOM 9941 H HG3 . GLU A 1 53 ? 6.125 26.722 -6.151 1.00 0.00 ? 53 GLU A HG3 7 ATOM 9942 N N . SER A 1 54 ? 5.948 26.076 -1.203 1.00 0.00 ? 54 SER A N 7 ATOM 9943 C CA . SER A 1 54 ? 6.107 26.339 0.222 1.00 0.00 ? 54 SER A CA 7 ATOM 9944 C C . SER A 1 54 ? 7.083 25.350 0.852 1.00 0.00 ? 54 SER A C 7 ATOM 9945 O O . SER A 1 54 ? 7.278 24.246 0.344 1.00 0.00 ? 54 SER A O 7 ATOM 9946 C CB . SER A 1 54 ? 4.753 26.259 0.931 1.00 0.00 ? 54 SER A CB 7 ATOM 9947 O OG . SER A 1 54 ? 4.870 26.627 2.295 1.00 0.00 ? 54 SER A OG 7 ATOM 9948 H H . SER A 1 54 ? 5.661 25.185 -1.496 1.00 0.00 ? 54 SER A H 7 ATOM 9949 H HA . SER A 1 54 ? 6.503 27.337 0.333 1.00 0.00 ? 54 SER A HA 7 ATOM 9950 H HB2 . SER A 1 54 ? 4.057 26.928 0.449 1.00 0.00 ? 54 SER A HB2 7 ATOM 9951 H HB3 . SER A 1 54 ? 4.379 25.247 0.874 1.00 0.00 ? 54 SER A HB3 7 ATOM 9952 H HG . SER A 1 54 ? 5.524 27.324 2.384 1.00 0.00 ? 54 SER A HG 7 ATOM 9953 N N . GLU A 1 55 ? 7.693 25.755 1.961 1.00 0.00 ? 55 GLU A N 7 ATOM 9954 C CA . GLU A 1 55 ? 8.649 24.904 2.660 1.00 0.00 ? 55 GLU A CA 7 ATOM 9955 C C . GLU A 1 55 ? 7.938 23.982 3.646 1.00 0.00 ? 55 GLU A C 7 ATOM 9956 O O . GLU A 1 55 ? 8.257 22.797 3.743 1.00 0.00 ? 55 GLU A O 7 ATOM 9957 C CB . GLU A 1 55 ? 9.681 25.759 3.398 1.00 0.00 ? 55 GLU A CB 7 ATOM 9958 C CG . GLU A 1 55 ? 10.433 25.005 4.482 1.00 0.00 ? 55 GLU A CG 7 ATOM 9959 C CD . GLU A 1 55 ? 11.618 25.785 5.021 1.00 0.00 ? 55 GLU A CD 7 ATOM 9960 O OE1 . GLU A 1 55 ? 12.228 26.549 4.244 1.00 0.00 ? 55 GLU A OE1 7 ATOM 9961 O OE2 . GLU A 1 55 ? 11.933 25.630 6.219 1.00 0.00 ? 55 GLU A OE2 7 ATOM 9962 H H . GLU A 1 55 ? 7.495 26.646 2.318 1.00 0.00 ? 55 GLU A H 7 ATOM 9963 H HA . GLU A 1 55 ? 9.157 24.301 1.923 1.00 0.00 ? 55 GLU A HA 7 ATOM 9964 H HB2 . GLU A 1 55 ? 10.400 26.132 2.683 1.00 0.00 ? 55 GLU A HB2 7 ATOM 9965 H HB3 . GLU A 1 55 ? 9.176 26.596 3.856 1.00 0.00 ? 55 GLU A HB3 7 ATOM 9966 H HG2 . GLU A 1 55 ? 9.756 24.802 5.298 1.00 0.00 ? 55 GLU A HG2 7 ATOM 9967 H HG3 . GLU A 1 55 ? 10.791 24.073 4.072 1.00 0.00 ? 55 GLU A HG3 7 ATOM 9968 N N . GLN A 1 56 ? 6.975 24.535 4.376 1.00 0.00 ? 56 GLN A N 7 ATOM 9969 C CA . GLN A 1 56 ? 6.220 23.763 5.355 1.00 0.00 ? 56 GLN A CA 7 ATOM 9970 C C . GLN A 1 56 ? 5.380 22.689 4.672 1.00 0.00 ? 56 GLN A C 7 ATOM 9971 O O . GLN A 1 56 ? 5.447 21.514 5.030 1.00 0.00 ? 56 GLN A O 7 ATOM 9972 C CB . GLN A 1 56 ? 5.318 24.685 6.178 1.00 0.00 ? 56 GLN A CB 7 ATOM 9973 C CG . GLN A 1 56 ? 4.290 23.942 7.015 1.00 0.00 ? 56 GLN A CG 7 ATOM 9974 C CD . GLN A 1 56 ? 4.865 23.418 8.317 1.00 0.00 ? 56 GLN A CD 7 ATOM 9975 O OE1 . GLN A 1 56 ? 5.680 24.080 8.959 1.00 0.00 ? 56 GLN A OE1 7 ATOM 9976 N NE2 . GLN A 1 56 ? 4.442 22.223 8.712 1.00 0.00 ? 56 GLN A NE2 7 ATOM 9977 H H . GLN A 1 56 ? 6.767 25.485 4.253 1.00 0.00 ? 56 GLN A H 7 ATOM 9978 H HA . GLN A 1 56 ? 6.926 23.283 6.015 1.00 0.00 ? 56 GLN A HA 7 ATOM 9979 H HB2 . GLN A 1 56 ? 5.934 25.273 6.842 1.00 0.00 ? 56 GLN A HB2 7 ATOM 9980 H HB3 . GLN A 1 56 ? 4.792 25.348 5.506 1.00 0.00 ? 56 GLN A HB3 7 ATOM 9981 H HG2 . GLN A 1 56 ? 3.477 24.615 7.245 1.00 0.00 ? 56 GLN A HG2 7 ATOM 9982 H HG3 . GLN A 1 56 ? 3.914 23.107 6.443 1.00 0.00 ? 56 GLN A HG3 7 ATOM 9983 H HE21 . GLN A 1 56 ? 3.793 21.753 8.149 1.00 0.00 ? 56 GLN A HE21 7 ATOM 9984 H HE22 . GLN A 1 56 ? 4.798 21.860 9.549 1.00 0.00 ? 56 GLN A HE22 7 ATOM 9985 N N . ALA A 1 57 ? 4.589 23.101 3.686 1.00 0.00 ? 57 ALA A N 7 ATOM 9986 C CA . ALA A 1 57 ? 3.738 22.174 2.951 1.00 0.00 ? 57 ALA A CA 7 ATOM 9987 C C . ALA A 1 57 ? 4.507 20.918 2.556 1.00 0.00 ? 57 ALA A C 7 ATOM 9988 O O . ALA A 1 57 ? 4.006 19.802 2.695 1.00 0.00 ? 57 ALA A O 7 ATOM 9989 C CB . ALA A 1 57 ? 3.161 22.853 1.717 1.00 0.00 ? 57 ALA A CB 7 ATOM 9990 H H . ALA A 1 57 ? 4.580 24.051 3.447 1.00 0.00 ? 57 ALA A H 7 ATOM 9991 H HA . ALA A 1 57 ? 2.916 21.894 3.595 1.00 0.00 ? 57 ALA A HA 7 ATOM 9992 H HB1 . ALA A 1 57 ? 2.664 22.117 1.102 1.00 0.00 ? 57 ALA A HB1 7 ATOM 9993 H HB2 . ALA A 1 57 ? 2.451 23.608 2.021 1.00 0.00 ? 57 ALA A HB2 7 ATOM 9994 H HB3 . ALA A 1 57 ? 3.958 23.313 1.154 1.00 0.00 ? 57 ALA A HB3 7 ATOM 9995 N N . HIS A 1 58 ? 5.726 21.108 2.060 1.00 0.00 ? 58 HIS A N 7 ATOM 9996 C CA . HIS A 1 58 ? 6.564 19.989 1.644 1.00 0.00 ? 58 HIS A CA 7 ATOM 9997 C C . HIS A 1 58 ? 6.755 18.998 2.788 1.00 0.00 ? 58 HIS A C 7 ATOM 9998 O O . HIS A 1 58 ? 6.635 17.786 2.601 1.00 0.00 ? 58 HIS A O 7 ATOM 9999 C CB . HIS A 1 58 ? 7.924 20.495 1.161 1.00 0.00 ? 58 HIS A CB 7 ATOM 10000 C CG . HIS A 1 58 ? 8.910 19.400 0.895 1.00 0.00 ? 58 HIS A CG 7 ATOM 10001 N ND1 . HIS A 1 58 ? 9.314 18.500 1.859 1.00 0.00 ? 58 HIS A ND1 7 ATOM 10002 C CD2 . HIS A 1 58 ? 9.574 19.062 -0.235 1.00 0.00 ? 58 HIS A CD2 7 ATOM 10003 C CE1 . HIS A 1 58 ? 10.184 17.657 1.333 1.00 0.00 ? 58 HIS A CE1 7 ATOM 10004 N NE2 . HIS A 1 58 ? 10.359 17.976 0.063 1.00 0.00 ? 58 HIS A NE2 7 ATOM 10005 H H . HIS A 1 58 ? 6.070 22.021 1.973 1.00 0.00 ? 58 HIS A H 7 ATOM 10006 H HA . HIS A 1 58 ? 6.066 19.487 0.829 1.00 0.00 ? 58 HIS A HA 7 ATOM 10007 H HB2 . HIS A 1 58 ? 7.789 21.049 0.244 1.00 0.00 ? 58 HIS A HB2 7 ATOM 10008 H HB3 . HIS A 1 58 ? 8.345 21.148 1.912 1.00 0.00 ? 58 HIS A HB3 7 ATOM 10009 H HD1 . HIS A 1 58 ? 9.008 18.483 2.789 1.00 0.00 ? 58 HIS A HD1 7 ATOM 10010 H HD2 . HIS A 1 58 ? 9.501 19.555 -1.194 1.00 0.00 ? 58 HIS A HD2 7 ATOM 10011 H HE1 . HIS A 1 58 ? 10.670 16.844 1.852 1.00 0.00 ? 58 HIS A HE1 7 ATOM 10012 H HE2 . HIS A 1 58 ? 11.016 17.565 -0.536 1.00 0.00 ? 58 HIS A HE2 7 ATOM 10013 N N . LEU A 1 59 ? 7.052 19.519 3.973 1.00 0.00 ? 59 LEU A N 7 ATOM 10014 C CA . LEU A 1 59 ? 7.260 18.680 5.148 1.00 0.00 ? 59 LEU A CA 7 ATOM 10015 C C . LEU A 1 59 ? 6.058 17.773 5.389 1.00 0.00 ? 59 LEU A C 7 ATOM 10016 O O . LEU A 1 59 ? 6.210 16.583 5.663 1.00 0.00 ? 59 LEU A O 7 ATOM 10017 C CB . LEU A 1 59 ? 7.513 19.549 6.382 1.00 0.00 ? 59 LEU A CB 7 ATOM 10018 C CG . LEU A 1 59 ? 8.964 19.969 6.620 1.00 0.00 ? 59 LEU A CG 7 ATOM 10019 C CD1 . LEU A 1 59 ? 9.653 20.280 5.301 1.00 0.00 ? 59 LEU A CD1 7 ATOM 10020 C CD2 . LEU A 1 59 ? 9.025 21.171 7.552 1.00 0.00 ? 59 LEU A CD2 7 ATOM 10021 H H . LEU A 1 59 ? 7.134 20.491 4.061 1.00 0.00 ? 59 LEU A H 7 ATOM 10022 H HA . LEU A 1 59 ? 8.129 18.065 4.967 1.00 0.00 ? 59 LEU A HA 7 ATOM 10023 H HB2 . LEU A 1 59 ? 6.922 20.446 6.281 1.00 0.00 ? 59 LEU A HB2 7 ATOM 10024 H HB3 . LEU A 1 59 ? 7.181 18.996 7.249 1.00 0.00 ? 59 LEU A HB3 7 ATOM 10025 H HG . LEU A 1 59 ? 9.496 19.154 7.090 1.00 0.00 ? 59 LEU A HG 7 ATOM 10026 H HD11 . LEU A 1 59 ? 9.535 19.445 4.627 1.00 0.00 ? 59 LEU A HD11 7 ATOM 10027 H HD12 . LEU A 1 59 ? 10.705 20.454 5.476 1.00 0.00 ? 59 LEU A HD12 7 ATOM 10028 H HD13 . LEU A 1 59 ? 9.211 21.163 4.863 1.00 0.00 ? 59 LEU A HD13 7 ATOM 10029 H HD21 . LEU A 1 59 ? 9.100 20.830 8.574 1.00 0.00 ? 59 LEU A HD21 7 ATOM 10030 H HD22 . LEU A 1 59 ? 8.128 21.763 7.435 1.00 0.00 ? 59 LEU A HD22 7 ATOM 10031 H HD23 . LEU A 1 59 ? 9.888 21.772 7.308 1.00 0.00 ? 59 LEU A HD23 7 ATOM 10032 N N . SER A 1 60 ? 4.862 18.344 5.284 1.00 0.00 ? 60 SER A N 7 ATOM 10033 C CA . SER A 1 60 ? 3.633 17.588 5.492 1.00 0.00 ? 60 SER A CA 7 ATOM 10034 C C . SER A 1 60 ? 3.543 16.418 4.517 1.00 0.00 ? 60 SER A C 7 ATOM 10035 O O . SER A 1 60 ? 2.783 15.472 4.731 1.00 0.00 ? 60 SER A O 7 ATOM 10036 C CB . SER A 1 60 ? 2.414 18.498 5.327 1.00 0.00 ? 60 SER A CB 7 ATOM 10037 O OG . SER A 1 60 ? 1.312 18.015 6.074 1.00 0.00 ? 60 SER A OG 7 ATOM 10038 H H . SER A 1 60 ? 4.805 19.298 5.063 1.00 0.00 ? 60 SER A H 7 ATOM 10039 H HA . SER A 1 60 ? 3.648 17.201 6.500 1.00 0.00 ? 60 SER A HA 7 ATOM 10040 H HB2 . SER A 1 60 ? 2.660 19.491 5.672 1.00 0.00 ? 60 SER A HB2 7 ATOM 10041 H HB3 . SER A 1 60 ? 2.137 18.538 4.283 1.00 0.00 ? 60 SER A HB3 7 ATOM 10042 H HG . SER A 1 60 ? 0.612 18.672 6.074 1.00 0.00 ? 60 SER A HG 7 ATOM 10043 N N . LEU A 1 61 ? 4.325 16.488 3.445 1.00 0.00 ? 61 LEU A N 7 ATOM 10044 C CA . LEU A 1 61 ? 4.335 15.435 2.435 1.00 0.00 ? 61 LEU A CA 7 ATOM 10045 C C . LEU A 1 61 ? 5.435 14.418 2.721 1.00 0.00 ? 61 LEU A C 7 ATOM 10046 O O . LEU A 1 61 ? 5.178 13.216 2.791 1.00 0.00 ? 61 LEU A O 7 ATOM 10047 C CB . LEU A 1 61 ? 4.532 16.039 1.043 1.00 0.00 ? 61 LEU A CB 7 ATOM 10048 C CG . LEU A 1 61 ? 3.562 17.154 0.652 1.00 0.00 ? 61 LEU A CG 7 ATOM 10049 C CD1 . LEU A 1 61 ? 4.012 17.825 -0.636 1.00 0.00 ? 61 LEU A CD1 7 ATOM 10050 C CD2 . LEU A 1 61 ? 2.150 16.606 0.505 1.00 0.00 ? 61 LEU A CD2 7 ATOM 10051 H H . LEU A 1 61 ? 4.909 17.266 3.329 1.00 0.00 ? 61 LEU A H 7 ATOM 10052 H HA . LEU A 1 61 ? 3.380 14.934 2.470 1.00 0.00 ? 61 LEU A HA 7 ATOM 10053 H HB2 . LEU A 1 61 ? 5.533 16.439 0.995 1.00 0.00 ? 61 LEU A HB2 7 ATOM 10054 H HB3 . LEU A 1 61 ? 4.430 15.241 0.321 1.00 0.00 ? 61 LEU A HB3 7 ATOM 10055 H HG . LEU A 1 61 ? 3.552 17.903 1.432 1.00 0.00 ? 61 LEU A HG 7 ATOM 10056 H HD11 . LEU A 1 61 ? 3.189 18.380 -1.060 1.00 0.00 ? 61 LEU A HD11 7 ATOM 10057 H HD12 . LEU A 1 61 ? 4.338 17.073 -1.339 1.00 0.00 ? 61 LEU A HD12 7 ATOM 10058 H HD13 . LEU A 1 61 ? 4.830 18.498 -0.425 1.00 0.00 ? 61 LEU A HD13 7 ATOM 10059 H HD21 . LEU A 1 61 ? 2.190 15.628 0.048 1.00 0.00 ? 61 LEU A HD21 7 ATOM 10060 H HD22 . LEU A 1 61 ? 1.569 17.271 -0.118 1.00 0.00 ? 61 LEU A HD22 7 ATOM 10061 H HD23 . LEU A 1 61 ? 1.690 16.531 1.479 1.00 0.00 ? 61 LEU A HD23 7 ATOM 10062 N N . GLU A 1 62 ? 6.659 14.908 2.887 1.00 0.00 ? 62 GLU A N 7 ATOM 10063 C CA . GLU A 1 62 ? 7.797 14.040 3.167 1.00 0.00 ? 62 GLU A CA 7 ATOM 10064 C C . GLU A 1 62 ? 7.481 13.080 4.310 1.00 0.00 ? 62 GLU A C 7 ATOM 10065 O O . GLU A 1 62 ? 8.127 12.042 4.460 1.00 0.00 ? 62 GLU A O 7 ATOM 10066 C CB . GLU A 1 62 ? 9.031 14.876 3.516 1.00 0.00 ? 62 GLU A CB 7 ATOM 10067 C CG . GLU A 1 62 ? 9.078 15.315 4.970 1.00 0.00 ? 62 GLU A CG 7 ATOM 10068 C CD . GLU A 1 62 ? 10.410 15.929 5.351 1.00 0.00 ? 62 GLU A CD 7 ATOM 10069 O OE1 . GLU A 1 62 ? 10.689 17.064 4.910 1.00 0.00 ? 62 GLU A OE1 7 ATOM 10070 O OE2 . GLU A 1 62 ? 11.175 15.275 6.091 1.00 0.00 ? 62 GLU A OE2 7 ATOM 10071 H H . GLU A 1 62 ? 6.800 15.875 2.820 1.00 0.00 ? 62 GLU A H 7 ATOM 10072 H HA . GLU A 1 62 ? 8.003 13.466 2.277 1.00 0.00 ? 62 GLU A HA 7 ATOM 10073 H HB2 . GLU A 1 62 ? 9.916 14.294 3.308 1.00 0.00 ? 62 GLU A HB2 7 ATOM 10074 H HB3 . GLU A 1 62 ? 9.038 15.760 2.895 1.00 0.00 ? 62 GLU A HB3 7 ATOM 10075 H HG2 . GLU A 1 62 ? 8.301 16.045 5.138 1.00 0.00 ? 62 GLU A HG2 7 ATOM 10076 H HG3 . GLU A 1 62 ? 8.902 14.454 5.598 1.00 0.00 ? 62 GLU A HG3 7 ATOM 10077 N N . LEU A 1 63 ? 6.483 13.433 5.113 1.00 0.00 ? 63 LEU A N 7 ATOM 10078 C CA . LEU A 1 63 ? 6.080 12.603 6.243 1.00 0.00 ? 63 LEU A CA 7 ATOM 10079 C C . LEU A 1 63 ? 5.033 11.578 5.820 1.00 0.00 ? 63 LEU A C 7 ATOM 10080 O O . LEU A 1 63 ? 5.226 10.375 5.988 1.00 0.00 ? 63 LEU A O 7 ATOM 10081 C CB . LEU A 1 63 ? 5.530 13.476 7.371 1.00 0.00 ? 63 LEU A CB 7 ATOM 10082 C CG . LEU A 1 63 ? 6.523 14.441 8.020 1.00 0.00 ? 63 LEU A CG 7 ATOM 10083 C CD1 . LEU A 1 63 ? 5.792 15.476 8.861 1.00 0.00 ? 63 LEU A CD1 7 ATOM 10084 C CD2 . LEU A 1 63 ? 7.531 13.679 8.867 1.00 0.00 ? 63 LEU A CD2 7 ATOM 10085 H H . LEU A 1 63 ? 6.006 14.271 4.943 1.00 0.00 ? 63 LEU A H 7 ATOM 10086 H HA . LEU A 1 63 ? 6.956 12.079 6.598 1.00 0.00 ? 63 LEU A HA 7 ATOM 10087 H HB2 . LEU A 1 63 ? 4.716 14.061 6.970 1.00 0.00 ? 63 LEU A HB2 7 ATOM 10088 H HB3 . LEU A 1 63 ? 5.153 12.820 8.143 1.00 0.00 ? 63 LEU A HB3 7 ATOM 10089 H HG . LEU A 1 63 ? 7.065 14.965 7.244 1.00 0.00 ? 63 LEU A HG 7 ATOM 10090 H HD11 . LEU A 1 63 ? 6.156 15.437 9.876 1.00 0.00 ? 63 LEU A HD11 7 ATOM 10091 H HD12 . LEU A 1 63 ? 4.733 15.264 8.850 1.00 0.00 ? 63 LEU A HD12 7 ATOM 10092 H HD13 . LEU A 1 63 ? 5.966 16.460 8.451 1.00 0.00 ? 63 LEU A HD13 7 ATOM 10093 H HD21 . LEU A 1 63 ? 8.498 14.154 8.789 1.00 0.00 ? 63 LEU A HD21 7 ATOM 10094 H HD22 . LEU A 1 63 ? 7.601 12.660 8.513 1.00 0.00 ? 63 LEU A HD22 7 ATOM 10095 H HD23 . LEU A 1 63 ? 7.210 13.681 9.898 1.00 0.00 ? 63 LEU A HD23 7 ATOM 10096 N N . GLN A 1 64 ? 3.925 12.065 5.269 1.00 0.00 ? 64 GLN A N 7 ATOM 10097 C CA . GLN A 1 64 ? 2.848 11.191 4.821 1.00 0.00 ? 64 GLN A CA 7 ATOM 10098 C C . GLN A 1 64 ? 3.394 10.041 3.980 1.00 0.00 ? 64 GLN A C 7 ATOM 10099 O O . GLN A 1 64 ? 2.936 8.904 4.094 1.00 0.00 ? 64 GLN A O 7 ATOM 10100 C CB . GLN A 1 64 ? 1.820 11.985 4.013 1.00 0.00 ? 64 GLN A CB 7 ATOM 10101 C CG . GLN A 1 64 ? 0.612 11.165 3.591 1.00 0.00 ? 64 GLN A CG 7 ATOM 10102 C CD . GLN A 1 64 ? -0.053 10.462 4.757 1.00 0.00 ? 64 GLN A CD 7 ATOM 10103 O OE1 . GLN A 1 64 ? 0.205 9.286 5.018 1.00 0.00 ? 64 GLN A OE1 7 ATOM 10104 N NE2 . GLN A 1 64 ? -0.914 11.180 5.469 1.00 0.00 ? 64 GLN A NE2 7 ATOM 10105 H H . GLN A 1 64 ? 3.830 13.034 5.162 1.00 0.00 ? 64 GLN A H 7 ATOM 10106 H HA . GLN A 1 64 ? 2.366 10.782 5.696 1.00 0.00 ? 64 GLN A HA 7 ATOM 10107 H HB2 . GLN A 1 64 ? 1.474 12.815 4.611 1.00 0.00 ? 64 GLN A HB2 7 ATOM 10108 H HB3 . GLN A 1 64 ? 2.298 12.368 3.123 1.00 0.00 ? 64 GLN A HB3 7 ATOM 10109 H HG2 . GLN A 1 64 ? -0.109 11.822 3.128 1.00 0.00 ? 64 GLN A HG2 7 ATOM 10110 H HG3 . GLN A 1 64 ? 0.931 10.421 2.875 1.00 0.00 ? 64 GLN A HG3 7 ATOM 10111 H HE21 . GLN A 1 64 ? -1.071 12.111 5.202 1.00 0.00 ? 64 GLN A HE21 7 ATOM 10112 H HE22 . GLN A 1 64 ? -1.359 10.751 6.228 1.00 0.00 ? 64 GLN A HE22 7 ATOM 10113 N N . ARG A 1 65 ? 4.375 10.345 3.136 1.00 0.00 ? 65 ARG A N 7 ATOM 10114 C CA . ARG A 1 65 ? 4.982 9.338 2.275 1.00 0.00 ? 65 ARG A CA 7 ATOM 10115 C C . ARG A 1 65 ? 5.635 8.236 3.105 1.00 0.00 ? 65 ARG A C 7 ATOM 10116 O O . ARG A 1 65 ? 5.586 7.061 2.742 1.00 0.00 ? 65 ARG A O 7 ATOM 10117 C CB . ARG A 1 65 ? 6.021 9.982 1.355 1.00 0.00 ? 65 ARG A CB 7 ATOM 10118 C CG . ARG A 1 65 ? 6.513 9.058 0.252 1.00 0.00 ? 65 ARG A CG 7 ATOM 10119 C CD . ARG A 1 65 ? 7.719 9.643 -0.466 1.00 0.00 ? 65 ARG A CD 7 ATOM 10120 N NE . ARG A 1 65 ? 8.806 9.958 0.457 1.00 0.00 ? 65 ARG A NE 7 ATOM 10121 C CZ . ARG A 1 65 ? 9.917 10.591 0.095 1.00 0.00 ? 65 ARG A CZ 7 ATOM 10122 N NH1 . ARG A 1 65 ? 10.086 10.973 -1.163 1.00 0.00 ? 65 ARG A NH1 7 ATOM 10123 N NH2 . ARG A 1 65 ? 10.861 10.842 0.993 1.00 0.00 ? 65 ARG A NH2 7 ATOM 10124 H H . ARG A 1 65 ? 4.697 11.270 3.091 1.00 0.00 ? 65 ARG A H 7 ATOM 10125 H HA . ARG A 1 65 ? 4.200 8.902 1.672 1.00 0.00 ? 65 ARG A HA 7 ATOM 10126 H HB2 . ARG A 1 65 ? 5.584 10.855 0.894 1.00 0.00 ? 65 ARG A HB2 7 ATOM 10127 H HB3 . ARG A 1 65 ? 6.871 10.284 1.948 1.00 0.00 ? 65 ARG A HB3 7 ATOM 10128 H HG2 . ARG A 1 65 ? 6.792 8.110 0.688 1.00 0.00 ? 65 ARG A HG2 7 ATOM 10129 H HG3 . ARG A 1 65 ? 5.717 8.909 -0.461 1.00 0.00 ? 65 ARG A HG3 7 ATOM 10130 H HD2 . ARG A 1 65 ? 8.072 8.925 -1.191 1.00 0.00 ? 65 ARG A HD2 7 ATOM 10131 H HD3 . ARG A 1 65 ? 7.416 10.546 -0.973 1.00 0.00 ? 65 ARG A HD3 7 ATOM 10132 H HE . ARG A 1 65 ? 8.702 9.685 1.391 1.00 0.00 ? 65 ARG A HE 7 ATOM 10133 H HH11 . ARG A 1 65 ? 9.376 10.786 -1.842 1.00 0.00 ? 65 ARG A HH11 7 ATOM 10134 H HH12 . ARG A 1 65 ? 10.923 11.450 -1.433 1.00 0.00 ? 65 ARG A HH12 7 ATOM 10135 H HH21 . ARG A 1 65 ? 10.737 10.555 1.942 1.00 0.00 ? 65 ARG A HH21 7 ATOM 10136 H HH22 . ARG A 1 65 ? 11.697 11.317 0.720 1.00 0.00 ? 65 ARG A HH22 7 ATOM 10137 N N . ASP A 1 66 ? 6.246 8.625 4.218 1.00 0.00 ? 66 ASP A N 7 ATOM 10138 C CA . ASP A 1 66 ? 6.909 7.670 5.100 1.00 0.00 ? 66 ASP A CA 7 ATOM 10139 C C . ASP A 1 66 ? 6.115 6.371 5.188 1.00 0.00 ? 66 ASP A C 7 ATOM 10140 O O . ASP A 1 66 ? 6.537 5.337 4.669 1.00 0.00 ? 66 ASP A O 7 ATOM 10141 C CB . ASP A 1 66 ? 7.086 8.270 6.495 1.00 0.00 ? 66 ASP A CB 7 ATOM 10142 C CG . ASP A 1 66 ? 7.710 7.292 7.471 1.00 0.00 ? 66 ASP A CG 7 ATOM 10143 O OD1 . ASP A 1 66 ? 7.236 6.139 7.541 1.00 0.00 ? 66 ASP A OD1 7 ATOM 10144 O OD2 . ASP A 1 66 ? 8.673 7.680 8.165 1.00 0.00 ? 66 ASP A OD2 7 ATOM 10145 H H . ASP A 1 66 ? 6.251 9.576 4.454 1.00 0.00 ? 66 ASP A H 7 ATOM 10146 H HA . ASP A 1 66 ? 7.882 7.455 4.684 1.00 0.00 ? 66 ASP A HA 7 ATOM 10147 H HB2 . ASP A 1 66 ? 7.724 9.139 6.428 1.00 0.00 ? 66 ASP A HB2 7 ATOM 10148 H HB3 . ASP A 1 66 ? 6.120 8.567 6.878 1.00 0.00 ? 66 ASP A HB3 7 ATOM 10149 N N . SER A 1 67 ? 4.964 6.430 5.851 1.00 0.00 ? 67 SER A N 7 ATOM 10150 C CA . SER A 1 67 ? 4.113 5.257 6.012 1.00 0.00 ? 67 SER A CA 7 ATOM 10151 C C . SER A 1 67 ? 3.806 4.619 4.660 1.00 0.00 ? 67 SER A C 7 ATOM 10152 O O . SER A 1 67 ? 4.097 3.443 4.435 1.00 0.00 ? 67 SER A O 7 ATOM 10153 C CB . SER A 1 67 ? 2.810 5.638 6.717 1.00 0.00 ? 67 SER A CB 7 ATOM 10154 O OG . SER A 1 67 ? 2.129 6.661 6.011 1.00 0.00 ? 67 SER A OG 7 ATOM 10155 H H . SER A 1 67 ? 4.682 7.283 6.243 1.00 0.00 ? 67 SER A H 7 ATOM 10156 H HA . SER A 1 67 ? 4.646 4.542 6.621 1.00 0.00 ? 67 SER A HA 7 ATOM 10157 H HB2 . SER A 1 67 ? 2.169 4.772 6.777 1.00 0.00 ? 67 SER A HB2 7 ATOM 10158 H HB3 . SER A 1 67 ? 3.033 5.991 7.713 1.00 0.00 ? 67 SER A HB3 7 ATOM 10159 H HG . SER A 1 67 ? 1.216 6.699 6.304 1.00 0.00 ? 67 SER A HG 7 ATOM 10160 N N . HIS A 1 68 ? 3.216 5.402 3.764 1.00 0.00 ? 68 HIS A N 7 ATOM 10161 C CA . HIS A 1 68 ? 2.869 4.916 2.433 1.00 0.00 ? 68 HIS A CA 7 ATOM 10162 C C . HIS A 1 68 ? 3.947 3.978 1.899 1.00 0.00 ? 68 HIS A C 7 ATOM 10163 O O . HIS A 1 68 ? 3.670 3.095 1.089 1.00 0.00 ? 68 HIS A O 7 ATOM 10164 C CB . HIS A 1 68 ? 2.675 6.089 1.472 1.00 0.00 ? 68 HIS A CB 7 ATOM 10165 C CG . HIS A 1 68 ? 1.388 6.827 1.680 1.00 0.00 ? 68 HIS A CG 7 ATOM 10166 N ND1 . HIS A 1 68 ? 0.171 6.193 1.814 1.00 0.00 ? 68 HIS A ND1 7 ATOM 10167 C CD2 . HIS A 1 68 ? 1.133 8.152 1.777 1.00 0.00 ? 68 HIS A CD2 7 ATOM 10168 C CE1 . HIS A 1 68 ? -0.778 7.097 1.983 1.00 0.00 ? 68 HIS A CE1 7 ATOM 10169 N NE2 . HIS A 1 68 ? -0.220 8.294 1.965 1.00 0.00 ? 68 HIS A NE2 7 ATOM 10170 H H . HIS A 1 68 ? 3.009 6.330 4.002 1.00 0.00 ? 68 HIS A H 7 ATOM 10171 H HA . HIS A 1 68 ? 1.941 4.369 2.512 1.00 0.00 ? 68 HIS A HA 7 ATOM 10172 H HB2 . HIS A 1 68 ? 3.484 6.791 1.605 1.00 0.00 ? 68 HIS A HB2 7 ATOM 10173 H HB3 . HIS A 1 68 ? 2.687 5.720 0.457 1.00 0.00 ? 68 HIS A HB3 7 ATOM 10174 H HD1 . HIS A 1 68 ? 0.023 5.225 1.787 1.00 0.00 ? 68 HIS A HD1 7 ATOM 10175 H HD2 . HIS A 1 68 ? 1.859 8.951 1.717 1.00 0.00 ? 68 HIS A HD2 7 ATOM 10176 H HE1 . HIS A 1 68 ? -1.830 6.894 2.115 1.00 0.00 ? 68 HIS A HE1 7 ATOM 10177 H HE2 . HIS A 1 68 ? -0.707 9.144 1.983 1.00 0.00 ? 68 HIS A HE2 7 ATOM 10178 N N . MET A 1 69 ? 5.178 4.177 2.359 1.00 0.00 ? 69 MET A N 7 ATOM 10179 C CA . MET A 1 69 ? 6.298 3.349 1.928 1.00 0.00 ? 69 MET A CA 7 ATOM 10180 C C . MET A 1 69 ? 6.568 2.234 2.933 1.00 0.00 ? 69 MET A C 7 ATOM 10181 O O . MET A 1 69 ? 6.864 1.100 2.554 1.00 0.00 ? 69 MET A O 7 ATOM 10182 C CB . MET A 1 69 ? 7.554 4.205 1.748 1.00 0.00 ? 69 MET A CB 7 ATOM 10183 C CG . MET A 1 69 ? 7.579 4.979 0.441 1.00 0.00 ? 69 MET A CG 7 ATOM 10184 S SD . MET A 1 69 ? 7.737 3.906 -1.000 1.00 0.00 ? 69 MET A SD 7 ATOM 10185 C CE . MET A 1 69 ? 8.996 2.764 -0.434 1.00 0.00 ? 69 MET A CE 7 ATOM 10186 H H . MET A 1 69 ? 5.338 4.897 3.005 1.00 0.00 ? 69 MET A H 7 ATOM 10187 H HA . MET A 1 69 ? 6.036 2.907 0.979 1.00 0.00 ? 69 MET A HA 7 ATOM 10188 H HB2 . MET A 1 69 ? 7.612 4.912 2.562 1.00 0.00 ? 69 MET A HB2 7 ATOM 10189 H HB3 . MET A 1 69 ? 8.421 3.562 1.777 1.00 0.00 ? 69 MET A HB3 7 ATOM 10190 H HG2 . MET A 1 69 ? 6.662 5.542 0.353 1.00 0.00 ? 69 MET A HG2 7 ATOM 10191 H HG3 . MET A 1 69 ? 8.417 5.661 0.459 1.00 0.00 ? 69 MET A HG3 7 ATOM 10192 H HE1 . MET A 1 69 ? 9.412 2.239 -1.281 1.00 0.00 ? 69 MET A HE1 7 ATOM 10193 H HE2 . MET A 1 69 ? 9.778 3.312 0.070 1.00 0.00 ? 69 MET A HE2 7 ATOM 10194 H HE3 . MET A 1 69 ? 8.555 2.053 0.249 1.00 0.00 ? 69 MET A HE3 7 ATOM 10195 N N . LYS A 1 70 ? 6.465 2.562 4.216 1.00 0.00 ? 70 LYS A N 7 ATOM 10196 C CA . LYS A 1 70 ? 6.697 1.588 5.276 1.00 0.00 ? 70 LYS A CA 7 ATOM 10197 C C . LYS A 1 70 ? 5.838 0.345 5.071 1.00 0.00 ? 70 LYS A C 7 ATOM 10198 O O . LYS A 1 70 ? 6.281 -0.775 5.324 1.00 0.00 ? 70 LYS A O 7 ATOM 10199 C CB . LYS A 1 70 ? 6.397 2.210 6.642 1.00 0.00 ? 70 LYS A CB 7 ATOM 10200 C CG . LYS A 1 70 ? 4.959 2.018 7.094 1.00 0.00 ? 70 LYS A CG 7 ATOM 10201 C CD . LYS A 1 70 ? 4.756 2.496 8.523 1.00 0.00 ? 70 LYS A CD 7 ATOM 10202 C CE . LYS A 1 70 ? 5.320 1.504 9.528 1.00 0.00 ? 70 LYS A CE 7 ATOM 10203 N NZ . LYS A 1 70 ? 4.344 0.428 9.855 1.00 0.00 ? 70 LYS A NZ 7 ATOM 10204 H H . LYS A 1 70 ? 6.226 3.482 4.456 1.00 0.00 ? 70 LYS A H 7 ATOM 10205 H HA . LYS A 1 70 ? 7.737 1.302 5.242 1.00 0.00 ? 70 LYS A HA 7 ATOM 10206 H HB2 . LYS A 1 70 ? 7.047 1.761 7.379 1.00 0.00 ? 70 LYS A HB2 7 ATOM 10207 H HB3 . LYS A 1 70 ? 6.598 3.270 6.594 1.00 0.00 ? 70 LYS A HB3 7 ATOM 10208 H HG2 . LYS A 1 70 ? 4.308 2.581 6.442 1.00 0.00 ? 70 LYS A HG2 7 ATOM 10209 H HG3 . LYS A 1 70 ? 4.710 0.968 7.036 1.00 0.00 ? 70 LYS A HG3 7 ATOM 10210 H HD2 . LYS A 1 70 ? 5.255 3.444 8.651 1.00 0.00 ? 70 LYS A HD2 7 ATOM 10211 H HD3 . LYS A 1 70 ? 3.697 2.616 8.705 1.00 0.00 ? 70 LYS A HD3 7 ATOM 10212 H HE2 . LYS A 1 70 ? 6.209 1.056 9.111 1.00 0.00 ? 70 LYS A HE2 7 ATOM 10213 H HE3 . LYS A 1 70 ? 5.575 2.034 10.433 1.00 0.00 ? 70 LYS A HE3 7 ATOM 10214 H HZ1 . LYS A 1 70 ? 4.840 -0.399 10.244 1.00 0.00 ? 70 LYS A HZ1 7 ATOM 10215 H HZ2 . LYS A 1 70 ? 3.831 0.139 8.998 1.00 0.00 ? 70 LYS A HZ2 7 ATOM 10216 H HZ3 . LYS A 1 70 ? 3.658 0.770 10.558 1.00 0.00 ? 70 LYS A HZ3 7 ATOM 10217 N N . GLN A 1 71 ? 4.608 0.551 4.611 1.00 0.00 ? 71 GLN A N 7 ATOM 10218 C CA . GLN A 1 71 ? 3.687 -0.554 4.371 1.00 0.00 ? 71 GLN A CA 7 ATOM 10219 C C . GLN A 1 71 ? 4.047 -1.294 3.087 1.00 0.00 ? 71 GLN A C 7 ATOM 10220 O O . GLN A 1 71 ? 3.789 -2.491 2.954 1.00 0.00 ? 71 GLN A O 7 ATOM 10221 C CB . GLN A 1 71 ? 2.249 -0.040 4.292 1.00 0.00 ? 71 GLN A CB 7 ATOM 10222 C CG . GLN A 1 71 ? 1.579 0.106 5.649 1.00 0.00 ? 71 GLN A CG 7 ATOM 10223 C CD . GLN A 1 71 ? 1.083 -1.216 6.200 1.00 0.00 ? 71 GLN A CD 7 ATOM 10224 O OE1 . GLN A 1 71 ? 0.461 -2.005 5.487 1.00 0.00 ? 71 GLN A OE1 7 ATOM 10225 N NE2 . GLN A 1 71 ? 1.357 -1.466 7.475 1.00 0.00 ? 71 GLN A NE2 7 ATOM 10226 H H . GLN A 1 71 ? 4.313 1.467 4.429 1.00 0.00 ? 71 GLN A H 7 ATOM 10227 H HA . GLN A 1 71 ? 3.770 -1.240 5.201 1.00 0.00 ? 71 GLN A HA 7 ATOM 10228 H HB2 . GLN A 1 71 ? 2.251 0.926 3.809 1.00 0.00 ? 71 GLN A HB2 7 ATOM 10229 H HB3 . GLN A 1 71 ? 1.665 -0.729 3.699 1.00 0.00 ? 71 GLN A HB3 7 ATOM 10230 H HG2 . GLN A 1 71 ? 2.292 0.524 6.345 1.00 0.00 ? 71 GLN A HG2 7 ATOM 10231 H HG3 . GLN A 1 71 ? 0.739 0.777 5.550 1.00 0.00 ? 71 GLN A HG3 7 ATOM 10232 H HE21 . GLN A 1 71 ? 1.856 -0.791 7.982 1.00 0.00 ? 71 GLN A HE21 7 ATOM 10233 H HE22 . GLN A 1 71 ? 1.047 -2.313 7.857 1.00 0.00 ? 71 GLN A HE22 7 ATOM 10234 N N . LEU A 1 72 ? 4.644 -0.574 2.143 1.00 0.00 ? 72 LEU A N 7 ATOM 10235 C CA . LEU A 1 72 ? 5.040 -1.162 0.868 1.00 0.00 ? 72 LEU A CA 7 ATOM 10236 C C . LEU A 1 72 ? 6.143 -2.197 1.064 1.00 0.00 ? 72 LEU A C 7 ATOM 10237 O O . LEU A 1 72 ? 6.061 -3.313 0.549 1.00 0.00 ? 72 LEU A O 7 ATOM 10238 C CB . LEU A 1 72 ? 5.513 -0.071 -0.094 1.00 0.00 ? 72 LEU A CB 7 ATOM 10239 C CG . LEU A 1 72 ? 6.344 -0.543 -1.288 1.00 0.00 ? 72 LEU A CG 7 ATOM 10240 C CD1 . LEU A 1 72 ? 5.502 -1.404 -2.217 1.00 0.00 ? 72 LEU A CD1 7 ATOM 10241 C CD2 . LEU A 1 72 ? 6.922 0.647 -2.039 1.00 0.00 ? 72 LEU A CD2 7 ATOM 10242 H H . LEU A 1 72 ? 4.824 0.375 2.307 1.00 0.00 ? 72 LEU A H 7 ATOM 10243 H HA . LEU A 1 72 ? 4.174 -1.651 0.446 1.00 0.00 ? 72 LEU A HA 7 ATOM 10244 H HB2 . LEU A 1 72 ? 4.640 0.434 -0.478 1.00 0.00 ? 72 LEU A HB2 7 ATOM 10245 H HB3 . LEU A 1 72 ? 6.112 0.629 0.471 1.00 0.00 ? 72 LEU A HB3 7 ATOM 10246 H HG . LEU A 1 72 ? 7.167 -1.146 -0.930 1.00 0.00 ? 72 LEU A HG 7 ATOM 10247 H HD11 . LEU A 1 72 ? 6.102 -1.721 -3.056 1.00 0.00 ? 72 LEU A HD11 7 ATOM 10248 H HD12 . LEU A 1 72 ? 4.658 -0.831 -2.572 1.00 0.00 ? 72 LEU A HD12 7 ATOM 10249 H HD13 . LEU A 1 72 ? 5.146 -2.271 -1.680 1.00 0.00 ? 72 LEU A HD13 7 ATOM 10250 H HD21 . LEU A 1 72 ? 7.948 0.798 -1.737 1.00 0.00 ? 72 LEU A HD21 7 ATOM 10251 H HD22 . LEU A 1 72 ? 6.346 1.532 -1.811 1.00 0.00 ? 72 LEU A HD22 7 ATOM 10252 H HD23 . LEU A 1 72 ? 6.884 0.456 -3.101 1.00 0.00 ? 72 LEU A HD23 7 ATOM 10253 N N . LEU A 1 73 ? 7.173 -1.821 1.814 1.00 0.00 ? 73 LEU A N 7 ATOM 10254 C CA . LEU A 1 73 ? 8.292 -2.717 2.081 1.00 0.00 ? 73 LEU A CA 7 ATOM 10255 C C . LEU A 1 73 ? 7.835 -3.940 2.870 1.00 0.00 ? 73 LEU A C 7 ATOM 10256 O O . LEU A 1 73 ? 8.396 -5.028 2.731 1.00 0.00 ? 73 LEU A O 7 ATOM 10257 C CB . LEU A 1 73 ? 9.389 -1.980 2.851 1.00 0.00 ? 73 LEU A CB 7 ATOM 10258 C CG . LEU A 1 73 ? 9.682 -0.549 2.398 1.00 0.00 ? 73 LEU A CG 7 ATOM 10259 C CD1 . LEU A 1 73 ? 10.818 0.047 3.213 1.00 0.00 ? 73 LEU A CD1 7 ATOM 10260 C CD2 . LEU A 1 73 ? 10.014 -0.517 0.913 1.00 0.00 ? 73 LEU A CD2 7 ATOM 10261 H H . LEU A 1 73 ? 7.182 -0.920 2.197 1.00 0.00 ? 73 LEU A H 7 ATOM 10262 H HA . LEU A 1 73 ? 8.688 -3.045 1.131 1.00 0.00 ? 73 LEU A HA 7 ATOM 10263 H HB2 . LEU A 1 73 ? 9.097 -1.945 3.889 1.00 0.00 ? 73 LEU A HB2 7 ATOM 10264 H HB3 . LEU A 1 73 ? 10.301 -2.552 2.754 1.00 0.00 ? 73 LEU A HB3 7 ATOM 10265 H HG . LEU A 1 73 ? 8.802 0.059 2.558 1.00 0.00 ? 73 LEU A HG 7 ATOM 10266 H HD11 . LEU A 1 73 ? 10.459 0.304 4.198 1.00 0.00 ? 73 LEU A HD11 7 ATOM 10267 H HD12 . LEU A 1 73 ? 11.187 0.935 2.722 1.00 0.00 ? 73 LEU A HD12 7 ATOM 10268 H HD13 . LEU A 1 73 ? 11.618 -0.675 3.298 1.00 0.00 ? 73 LEU A HD13 7 ATOM 10269 H HD21 . LEU A 1 73 ? 9.296 -1.116 0.372 1.00 0.00 ? 73 LEU A HD21 7 ATOM 10270 H HD22 . LEU A 1 73 ? 11.006 -0.916 0.758 1.00 0.00 ? 73 LEU A HD22 7 ATOM 10271 H HD23 . LEU A 1 73 ? 9.974 0.502 0.558 1.00 0.00 ? 73 LEU A HD23 7 ATOM 10272 N N . LEU A 1 74 ? 6.812 -3.755 3.697 1.00 0.00 ? 74 LEU A N 7 ATOM 10273 C CA . LEU A 1 74 ? 6.276 -4.843 4.507 1.00 0.00 ? 74 LEU A CA 7 ATOM 10274 C C . LEU A 1 74 ? 5.452 -5.802 3.655 1.00 0.00 ? 74 LEU A C 7 ATOM 10275 O O . LEU A 1 74 ? 5.738 -6.998 3.596 1.00 0.00 ? 74 LEU A O 7 ATOM 10276 C CB . LEU A 1 74 ? 5.417 -4.285 5.643 1.00 0.00 ? 74 LEU A CB 7 ATOM 10277 C CG . LEU A 1 74 ? 6.157 -3.930 6.933 1.00 0.00 ? 74 LEU A CG 7 ATOM 10278 C CD1 . LEU A 1 74 ? 5.235 -3.193 7.892 1.00 0.00 ? 74 LEU A CD1 7 ATOM 10279 C CD2 . LEU A 1 74 ? 6.717 -5.185 7.588 1.00 0.00 ? 74 LEU A CD2 7 ATOM 10280 H H . LEU A 1 74 ? 6.406 -2.866 3.764 1.00 0.00 ? 74 LEU A H 7 ATOM 10281 H HA . LEU A 1 74 ? 7.110 -5.383 4.930 1.00 0.00 ? 74 LEU A HA 7 ATOM 10282 H HB2 . LEU A 1 74 ? 4.934 -3.389 5.282 1.00 0.00 ? 74 LEU A HB2 7 ATOM 10283 H HB3 . LEU A 1 74 ? 4.666 -5.024 5.883 1.00 0.00 ? 74 LEU A HB3 7 ATOM 10284 H HG . LEU A 1 74 ? 6.985 -3.276 6.698 1.00 0.00 ? 74 LEU A HG 7 ATOM 10285 H HD11 . LEU A 1 74 ? 5.737 -3.052 8.837 1.00 0.00 ? 74 LEU A HD11 7 ATOM 10286 H HD12 . LEU A 1 74 ? 4.337 -3.773 8.045 1.00 0.00 ? 74 LEU A HD12 7 ATOM 10287 H HD13 . LEU A 1 74 ? 4.976 -2.231 7.474 1.00 0.00 ? 74 LEU A HD13 7 ATOM 10288 H HD21 . LEU A 1 74 ? 7.443 -5.640 6.930 1.00 0.00 ? 74 LEU A HD21 7 ATOM 10289 H HD22 . LEU A 1 74 ? 5.914 -5.883 7.775 1.00 0.00 ? 74 LEU A HD22 7 ATOM 10290 H HD23 . LEU A 1 74 ? 7.192 -4.922 8.521 1.00 0.00 ? 74 LEU A HD23 7 ATOM 10291 N N . ILE A 1 75 ? 4.429 -5.269 2.995 1.00 0.00 ? 75 ILE A N 7 ATOM 10292 C CA . ILE A 1 75 ? 3.566 -6.077 2.142 1.00 0.00 ? 75 ILE A CA 7 ATOM 10293 C C . ILE A 1 75 ? 4.378 -6.832 1.095 1.00 0.00 ? 75 ILE A C 7 ATOM 10294 O O . ILE A 1 75 ? 4.046 -7.961 0.735 1.00 0.00 ? 75 ILE A O 7 ATOM 10295 C CB . ILE A 1 75 ? 2.508 -5.213 1.431 1.00 0.00 ? 75 ILE A CB 7 ATOM 10296 C CG1 . ILE A 1 75 ? 1.577 -4.562 2.455 1.00 0.00 ? 75 ILE A CG1 7 ATOM 10297 C CG2 . ILE A 1 75 ? 1.714 -6.055 0.443 1.00 0.00 ? 75 ILE A CG2 7 ATOM 10298 C CD1 . ILE A 1 75 ? 0.705 -3.472 1.872 1.00 0.00 ? 75 ILE A CD1 7 ATOM 10299 H H . ILE A 1 75 ? 4.252 -4.310 3.082 1.00 0.00 ? 75 ILE A H 7 ATOM 10300 H HA . ILE A 1 75 ? 3.054 -6.793 2.770 1.00 0.00 ? 75 ILE A HA 7 ATOM 10301 H HB . ILE A 1 75 ? 3.020 -4.440 0.878 1.00 0.00 ? 75 ILE A HB 7 ATOM 10302 H HG12 . ILE A 1 75 ? 0.929 -5.316 2.873 1.00 0.00 ? 75 ILE A HG12 7 ATOM 10303 H HG13 . ILE A 1 75 ? 2.171 -4.126 3.245 1.00 0.00 ? 75 ILE A HG13 7 ATOM 10304 H HG21 . ILE A 1 75 ? 2.015 -5.807 -0.564 1.00 0.00 ? 75 ILE A HG21 7 ATOM 10305 H HG22 . ILE A 1 75 ? 1.904 -7.101 0.628 1.00 0.00 ? 75 ILE A HG22 7 ATOM 10306 H HG23 . ILE A 1 75 ? 0.660 -5.853 0.564 1.00 0.00 ? 75 ILE A HG23 7 ATOM 10307 H HD11 . ILE A 1 75 ? 1.292 -2.862 1.201 1.00 0.00 ? 75 ILE A HD11 7 ATOM 10308 H HD12 . ILE A 1 75 ? -0.116 -3.917 1.331 1.00 0.00 ? 75 ILE A HD12 7 ATOM 10309 H HD13 . ILE A 1 75 ? 0.317 -2.856 2.670 1.00 0.00 ? 75 ILE A HD13 7 ATOM 10310 N N . GLN A 1 76 ? 5.444 -6.202 0.613 1.00 0.00 ? 76 GLN A N 7 ATOM 10311 C CA . GLN A 1 76 ? 6.304 -6.815 -0.392 1.00 0.00 ? 76 GLN A CA 7 ATOM 10312 C C . GLN A 1 76 ? 6.952 -8.085 0.148 1.00 0.00 ? 76 GLN A C 7 ATOM 10313 O O . GLN A 1 76 ? 6.776 -9.168 -0.409 1.00 0.00 ? 76 GLN A O 7 ATOM 10314 C CB . GLN A 1 76 ? 7.384 -5.828 -0.840 1.00 0.00 ? 76 GLN A CB 7 ATOM 10315 C CG . GLN A 1 76 ? 6.963 -4.957 -2.013 1.00 0.00 ? 76 GLN A CG 7 ATOM 10316 C CD . GLN A 1 76 ? 8.142 -4.477 -2.836 1.00 0.00 ? 76 GLN A CD 7 ATOM 10317 O OE1 . GLN A 1 76 ? 8.780 -5.258 -3.543 1.00 0.00 ? 76 GLN A OE1 7 ATOM 10318 N NE2 . GLN A 1 76 ? 8.439 -3.186 -2.748 1.00 0.00 ? 76 GLN A NE2 7 ATOM 10319 H H . GLN A 1 76 ? 5.656 -5.303 0.941 1.00 0.00 ? 76 GLN A H 7 ATOM 10320 H HA . GLN A 1 76 ? 5.690 -7.072 -1.241 1.00 0.00 ? 76 GLN A HA 7 ATOM 10321 H HB2 . GLN A 1 76 ? 7.632 -5.183 -0.010 1.00 0.00 ? 76 GLN A HB2 7 ATOM 10322 H HB3 . GLN A 1 76 ? 8.264 -6.383 -1.129 1.00 0.00 ? 76 GLN A HB3 7 ATOM 10323 H HG2 . GLN A 1 76 ? 6.307 -5.529 -2.652 1.00 0.00 ? 76 GLN A HG2 7 ATOM 10324 H HG3 . GLN A 1 76 ? 6.433 -4.096 -1.633 1.00 0.00 ? 76 GLN A HG3 7 ATOM 10325 H HE21 . GLN A 1 76 ? 7.888 -2.623 -2.164 1.00 0.00 ? 76 GLN A HE21 7 ATOM 10326 H HE22 . GLN A 1 76 ? 9.197 -2.849 -3.268 1.00 0.00 ? 76 GLN A HE22 7 ATOM 10327 N N . GLU A 1 77 ? 7.702 -7.944 1.237 1.00 0.00 ? 77 GLU A N 7 ATOM 10328 C CA . GLU A 1 77 ? 8.377 -9.082 1.851 1.00 0.00 ? 77 GLU A CA 7 ATOM 10329 C C . GLU A 1 77 ? 7.366 -10.107 2.356 1.00 0.00 ? 77 GLU A C 7 ATOM 10330 O O . GLU A 1 77 ? 7.630 -11.309 2.352 1.00 0.00 ? 77 GLU A O 7 ATOM 10331 C CB . GLU A 1 77 ? 9.266 -8.614 3.005 1.00 0.00 ? 77 GLU A CB 7 ATOM 10332 C CG . GLU A 1 77 ? 8.490 -8.236 4.256 1.00 0.00 ? 77 GLU A CG 7 ATOM 10333 C CD . GLU A 1 77 ? 9.396 -7.869 5.415 1.00 0.00 ? 77 GLU A CD 7 ATOM 10334 O OE1 . GLU A 1 77 ? 10.192 -6.919 5.269 1.00 0.00 ? 77 GLU A OE1 7 ATOM 10335 O OE2 . GLU A 1 77 ? 9.308 -8.533 6.469 1.00 0.00 ? 77 GLU A OE2 7 ATOM 10336 H H . GLU A 1 77 ? 7.805 -7.055 1.635 1.00 0.00 ? 77 GLU A H 7 ATOM 10337 H HA . GLU A 1 77 ? 8.996 -9.546 1.098 1.00 0.00 ? 77 GLU A HA 7 ATOM 10338 H HB2 . GLU A 1 77 ? 9.954 -9.407 3.258 1.00 0.00 ? 77 GLU A HB2 7 ATOM 10339 H HB3 . GLU A 1 77 ? 9.829 -7.750 2.682 1.00 0.00 ? 77 GLU A HB3 7 ATOM 10340 H HG2 . GLU A 1 77 ? 7.859 -7.390 4.031 1.00 0.00 ? 77 GLU A HG2 7 ATOM 10341 H HG3 . GLU A 1 77 ? 7.876 -9.074 4.549 1.00 0.00 ? 77 GLU A HG3 7 ATOM 10342 N N . ARG A 1 78 ? 6.208 -9.622 2.792 1.00 0.00 ? 78 ARG A N 7 ATOM 10343 C CA . ARG A 1 78 ? 5.158 -10.494 3.302 1.00 0.00 ? 78 ARG A CA 7 ATOM 10344 C C . ARG A 1 78 ? 4.628 -11.409 2.202 1.00 0.00 ? 78 ARG A C 7 ATOM 10345 O O . ARG A 1 78 ? 4.016 -12.440 2.480 1.00 0.00 ? 78 ARG A O 7 ATOM 10346 C CB . ARG A 1 78 ? 4.013 -9.663 3.884 1.00 0.00 ? 78 ARG A CB 7 ATOM 10347 C CG . ARG A 1 78 ? 4.326 -9.063 5.245 1.00 0.00 ? 78 ARG A CG 7 ATOM 10348 C CD . ARG A 1 78 ? 4.405 -10.135 6.321 1.00 0.00 ? 78 ARG A CD 7 ATOM 10349 N NE . ARG A 1 78 ? 3.130 -10.822 6.504 1.00 0.00 ? 78 ARG A NE 7 ATOM 10350 C CZ . ARG A 1 78 ? 2.935 -11.784 7.399 1.00 0.00 ? 78 ARG A CZ 7 ATOM 10351 N NH1 . ARG A 1 78 ? 3.928 -12.170 8.189 1.00 0.00 ? 78 ARG A NH1 7 ATOM 10352 N NH2 . ARG A 1 78 ? 1.746 -12.362 7.507 1.00 0.00 ? 78 ARG A NH2 7 ATOM 10353 H H . ARG A 1 78 ? 6.057 -8.653 2.770 1.00 0.00 ? 78 ARG A H 7 ATOM 10354 H HA . ARG A 1 78 ? 5.583 -11.102 4.086 1.00 0.00 ? 78 ARG A HA 7 ATOM 10355 H HB2 . ARG A 1 78 ? 3.787 -8.856 3.203 1.00 0.00 ? 78 ARG A HB2 7 ATOM 10356 H HB3 . ARG A 1 78 ? 3.142 -10.293 3.984 1.00 0.00 ? 78 ARG A HB3 7 ATOM 10357 H HG2 . ARG A 1 78 ? 5.275 -8.550 5.193 1.00 0.00 ? 78 ARG A HG2 7 ATOM 10358 H HG3 . ARG A 1 78 ? 3.548 -8.360 5.505 1.00 0.00 ? 78 ARG A HG3 7 ATOM 10359 H HD2 . ARG A 1 78 ? 5.155 -10.858 6.036 1.00 0.00 ? 78 ARG A HD2 7 ATOM 10360 H HD3 . ARG A 1 78 ? 4.691 -9.670 7.253 1.00 0.00 ? 78 ARG A HD3 7 ATOM 10361 H HE . ARG A 1 78 ? 2.382 -10.552 5.931 1.00 0.00 ? 78 ARG A HE 7 ATOM 10362 H HH11 . ARG A 1 78 ? 4.825 -11.736 8.111 1.00 0.00 ? 78 ARG A HH11 7 ATOM 10363 H HH12 . ARG A 1 78 ? 3.779 -12.894 8.863 1.00 0.00 ? 78 ARG A HH12 7 ATOM 10364 H HH21 . ARG A 1 78 ? 0.995 -12.073 6.913 1.00 0.00 ? 78 ARG A HH21 7 ATOM 10365 H HH22 . ARG A 1 78 ? 1.600 -13.086 8.180 1.00 0.00 ? 78 ARG A HH22 7 ATOM 10366 N N . TRP A 1 79 ? 4.869 -11.024 0.954 1.00 0.00 ? 79 TRP A N 7 ATOM 10367 C CA . TRP A 1 79 ? 4.415 -11.810 -0.189 1.00 0.00 ? 79 TRP A CA 7 ATOM 10368 C C . TRP A 1 79 ? 5.489 -12.799 -0.629 1.00 0.00 ? 79 TRP A C 7 ATOM 10369 O O . TRP A 1 79 ? 5.306 -14.013 -0.531 1.00 0.00 ? 79 TRP A O 7 ATOM 10370 C CB . TRP A 1 79 ? 4.045 -10.889 -1.352 1.00 0.00 ? 79 TRP A CB 7 ATOM 10371 C CG . TRP A 1 79 ? 3.290 -11.585 -2.444 1.00 0.00 ? 79 TRP A CG 7 ATOM 10372 C CD1 . TRP A 1 79 ? 2.460 -12.662 -2.308 1.00 0.00 ? 79 TRP A CD1 7 ATOM 10373 C CD2 . TRP A 1 79 ? 3.297 -11.254 -3.837 1.00 0.00 ? 79 TRP A CD2 7 ATOM 10374 N NE1 . TRP A 1 79 ? 1.951 -13.020 -3.533 1.00 0.00 ? 79 TRP A NE1 7 ATOM 10375 C CE2 . TRP A 1 79 ? 2.448 -12.172 -4.487 1.00 0.00 ? 79 TRP A CE2 7 ATOM 10376 C CE3 . TRP A 1 79 ? 3.935 -10.272 -4.597 1.00 0.00 ? 79 TRP A CE3 7 ATOM 10377 C CZ2 . TRP A 1 79 ? 2.225 -12.134 -5.861 1.00 0.00 ? 79 TRP A CZ2 7 ATOM 10378 C CZ3 . TRP A 1 79 ? 3.713 -10.236 -5.961 1.00 0.00 ? 79 TRP A CZ3 7 ATOM 10379 C CH2 . TRP A 1 79 ? 2.863 -11.161 -6.581 1.00 0.00 ? 79 TRP A CH2 7 ATOM 10380 H H . TRP A 1 79 ? 5.362 -10.192 0.796 1.00 0.00 ? 79 TRP A H 7 ATOM 10381 H HA . TRP A 1 79 ? 3.538 -12.361 0.116 1.00 0.00 ? 79 TRP A HA 7 ATOM 10382 H HB2 . TRP A 1 79 ? 3.429 -10.083 -0.983 1.00 0.00 ? 79 TRP A HB2 7 ATOM 10383 H HB3 . TRP A 1 79 ? 4.949 -10.480 -1.780 1.00 0.00 ? 79 TRP A HB3 7 ATOM 10384 H HD1 . TRP A 1 79 ? 2.247 -13.150 -1.370 1.00 0.00 ? 79 TRP A HD1 7 ATOM 10385 H HE1 . TRP A 1 79 ? 1.331 -13.762 -3.697 1.00 0.00 ? 79 TRP A HE1 7 ATOM 10386 H HE3 . TRP A 1 79 ? 4.594 -9.550 -4.138 1.00 0.00 ? 79 TRP A HE3 7 ATOM 10387 H HZ2 . TRP A 1 79 ? 1.572 -12.840 -6.354 1.00 0.00 ? 79 TRP A HZ2 7 ATOM 10388 H HZ3 . TRP A 1 79 ? 4.199 -9.483 -6.565 1.00 0.00 ? 79 TRP A HZ3 7 ATOM 10389 H HH2 . TRP A 1 79 ? 2.719 -11.095 -7.648 1.00 0.00 ? 79 TRP A HH2 7 ATOM 10390 N N . LYS A 1 80 ? 6.609 -12.274 -1.114 1.00 0.00 ? 80 LYS A N 7 ATOM 10391 C CA . LYS A 1 80 ? 7.713 -13.111 -1.568 1.00 0.00 ? 80 LYS A CA 7 ATOM 10392 C C . LYS A 1 80 ? 7.974 -14.248 -0.585 1.00 0.00 ? 80 LYS A C 7 ATOM 10393 O O . LYS A 1 80 ? 8.526 -15.285 -0.954 1.00 0.00 ? 80 LYS A O 7 ATOM 10394 C CB . LYS A 1 80 ? 8.980 -12.270 -1.740 1.00 0.00 ? 80 LYS A CB 7 ATOM 10395 C CG . LYS A 1 80 ? 9.132 -11.179 -0.695 1.00 0.00 ? 80 LYS A CG 7 ATOM 10396 C CD . LYS A 1 80 ? 10.584 -10.764 -0.529 1.00 0.00 ? 80 LYS A CD 7 ATOM 10397 C CE . LYS A 1 80 ? 11.290 -11.613 0.517 1.00 0.00 ? 80 LYS A CE 7 ATOM 10398 N NZ . LYS A 1 80 ? 12.746 -11.747 0.233 1.00 0.00 ? 80 LYS A NZ 7 ATOM 10399 H H . LYS A 1 80 ? 6.695 -11.299 -1.167 1.00 0.00 ? 80 LYS A H 7 ATOM 10400 H HA . LYS A 1 80 ? 7.438 -13.533 -2.523 1.00 0.00 ? 80 LYS A HA 7 ATOM 10401 H HB2 . LYS A 1 80 ? 9.840 -12.920 -1.679 1.00 0.00 ? 80 LYS A HB2 7 ATOM 10402 H HB3 . LYS A 1 80 ? 8.959 -11.805 -2.715 1.00 0.00 ? 80 LYS A HB3 7 ATOM 10403 H HG2 . LYS A 1 80 ? 8.556 -10.318 -1.000 1.00 0.00 ? 80 LYS A HG2 7 ATOM 10404 H HG3 . LYS A 1 80 ? 8.761 -11.545 0.252 1.00 0.00 ? 80 LYS A HG3 7 ATOM 10405 H HD2 . LYS A 1 80 ? 11.093 -10.881 -1.474 1.00 0.00 ? 80 LYS A HD2 7 ATOM 10406 H HD3 . LYS A 1 80 ? 10.621 -9.728 -0.223 1.00 0.00 ? 80 LYS A HD3 7 ATOM 10407 H HE2 . LYS A 1 80 ? 11.162 -11.151 1.484 1.00 0.00 ? 80 LYS A HE2 7 ATOM 10408 H HE3 . LYS A 1 80 ? 10.842 -12.596 0.526 1.00 0.00 ? 80 LYS A HE3 7 ATOM 10409 H HZ1 . LYS A 1 80 ? 12.907 -11.788 -0.794 1.00 0.00 ? 80 LYS A HZ1 7 ATOM 10410 H HZ2 . LYS A 1 80 ? 13.116 -12.616 0.665 1.00 0.00 ? 80 LYS A HZ2 7 ATOM 10411 H HZ3 . LYS A 1 80 ? 13.262 -10.932 0.621 1.00 0.00 ? 80 LYS A HZ3 7 ATOM 10412 N N . ARG A 1 81 ? 7.572 -14.047 0.665 1.00 0.00 ? 81 ARG A N 7 ATOM 10413 C CA . ARG A 1 81 ? 7.763 -15.055 1.701 1.00 0.00 ? 81 ARG A CA 7 ATOM 10414 C C . ARG A 1 81 ? 6.591 -16.033 1.730 1.00 0.00 ? 81 ARG A C 7 ATOM 10415 O O . ARG A 1 81 ? 6.783 -17.245 1.824 1.00 0.00 ? 81 ARG A O 7 ATOM 10416 C CB . ARG A 1 81 ? 7.919 -14.389 3.069 1.00 0.00 ? 81 ARG A CB 7 ATOM 10417 C CG . ARG A 1 81 ? 9.218 -13.615 3.224 1.00 0.00 ? 81 ARG A CG 7 ATOM 10418 C CD . ARG A 1 81 ? 9.283 -12.900 4.565 1.00 0.00 ? 81 ARG A CD 7 ATOM 10419 N NE . ARG A 1 81 ? 9.519 -13.827 5.669 1.00 0.00 ? 81 ARG A NE 7 ATOM 10420 C CZ . ARG A 1 81 ? 8.552 -14.498 6.284 1.00 0.00 ? 81 ARG A CZ 7 ATOM 10421 N NH1 . ARG A 1 81 ? 7.290 -14.346 5.905 1.00 0.00 ? 81 ARG A NH1 7 ATOM 10422 N NH2 . ARG A 1 81 ? 8.846 -15.323 7.281 1.00 0.00 ? 81 ARG A NH2 7 ATOM 10423 H H . ARG A 1 81 ? 7.138 -13.199 0.898 1.00 0.00 ? 81 ARG A H 7 ATOM 10424 H HA . ARG A 1 81 ? 8.666 -15.601 1.470 1.00 0.00 ? 81 ARG A HA 7 ATOM 10425 H HB2 . ARG A 1 81 ? 7.098 -13.704 3.219 1.00 0.00 ? 81 ARG A HB2 7 ATOM 10426 H HB3 . ARG A 1 81 ? 7.886 -15.152 3.832 1.00 0.00 ? 81 ARG A HB3 7 ATOM 10427 H HG2 . ARG A 1 81 ? 10.047 -14.304 3.156 1.00 0.00 ? 81 ARG A HG2 7 ATOM 10428 H HG3 . ARG A 1 81 ? 9.288 -12.885 2.432 1.00 0.00 ? 81 ARG A HG3 7 ATOM 10429 H HD2 . ARG A 1 81 ? 10.087 -12.180 4.535 1.00 0.00 ? 81 ARG A HD2 7 ATOM 10430 H HD3 . ARG A 1 81 ? 8.347 -12.388 4.730 1.00 0.00 ? 81 ARG A HD3 7 ATOM 10431 H HE . ARG A 1 81 ? 10.444 -13.954 5.965 1.00 0.00 ? 81 ARG A HE 7 ATOM 10432 H HH11 . ARG A 1 81 ? 7.066 -13.726 5.154 1.00 0.00 ? 81 ARG A HH11 7 ATOM 10433 H HH12 . ARG A 1 81 ? 6.564 -14.854 6.369 1.00 0.00 ? 81 ARG A HH12 7 ATOM 10434 H HH21 . ARG A 1 81 ? 9.796 -15.440 7.569 1.00 0.00 ? 81 ARG A HH21 7 ATOM 10435 H HH22 . ARG A 1 81 ? 8.117 -15.828 7.743 1.00 0.00 ? 81 ARG A HH22 7 ATOM 10436 N N . ALA A 1 82 ? 5.378 -15.497 1.649 1.00 0.00 ? 82 ALA A N 7 ATOM 10437 C CA . ALA A 1 82 ? 4.176 -16.321 1.664 1.00 0.00 ? 82 ALA A CA 7 ATOM 10438 C C . ALA A 1 82 ? 4.186 -17.329 0.520 1.00 0.00 ? 82 ALA A C 7 ATOM 10439 O O . ALA A 1 82 ? 3.524 -18.365 0.585 1.00 0.00 ? 82 ALA A O 7 ATOM 10440 C CB . ALA A 1 82 ? 2.934 -15.445 1.587 1.00 0.00 ? 82 ALA A CB 7 ATOM 10441 H H . ALA A 1 82 ? 5.289 -14.524 1.575 1.00 0.00 ? 82 ALA A H 7 ATOM 10442 H HA . ALA A 1 82 ? 4.151 -16.857 2.602 1.00 0.00 ? 82 ALA A HA 7 ATOM 10443 H HB1 . ALA A 1 82 ? 2.158 -15.867 2.208 1.00 0.00 ? 82 ALA A HB1 7 ATOM 10444 H HB2 . ALA A 1 82 ? 3.173 -14.451 1.935 1.00 0.00 ? 82 ALA A HB2 7 ATOM 10445 H HB3 . ALA A 1 82 ? 2.591 -15.397 0.564 1.00 0.00 ? 82 ALA A HB3 7 ATOM 10446 N N . LYS A 1 83 ? 4.942 -17.019 -0.528 1.00 0.00 ? 83 LYS A N 7 ATOM 10447 C CA . LYS A 1 83 ? 5.039 -17.897 -1.688 1.00 0.00 ? 83 LYS A CA 7 ATOM 10448 C C . LYS A 1 83 ? 5.516 -19.287 -1.279 1.00 0.00 ? 83 LYS A C 7 ATOM 10449 O O . LYS A 1 83 ? 5.001 -20.296 -1.760 1.00 0.00 ? 83 LYS A O 7 ATOM 10450 C CB . LYS A 1 83 ? 5.996 -17.302 -2.725 1.00 0.00 ? 83 LYS A CB 7 ATOM 10451 C CG . LYS A 1 83 ? 5.569 -15.936 -3.233 1.00 0.00 ? 83 LYS A CG 7 ATOM 10452 C CD . LYS A 1 83 ? 4.678 -16.051 -4.459 1.00 0.00 ? 83 LYS A CD 7 ATOM 10453 C CE . LYS A 1 83 ? 4.847 -14.855 -5.384 1.00 0.00 ? 83 LYS A CE 7 ATOM 10454 N NZ . LYS A 1 83 ? 6.092 -14.952 -6.195 1.00 0.00 ? 83 LYS A NZ 7 ATOM 10455 H H . LYS A 1 83 ? 5.447 -16.178 -0.522 1.00 0.00 ? 83 LYS A H 7 ATOM 10456 H HA . LYS A 1 83 ? 4.056 -17.981 -2.125 1.00 0.00 ? 83 LYS A HA 7 ATOM 10457 H HB2 . LYS A 1 83 ? 6.976 -17.208 -2.280 1.00 0.00 ? 83 LYS A HB2 7 ATOM 10458 H HB3 . LYS A 1 83 ? 6.056 -17.975 -3.568 1.00 0.00 ? 83 LYS A HB3 7 ATOM 10459 H HG2 . LYS A 1 83 ? 5.024 -15.426 -2.453 1.00 0.00 ? 83 LYS A HG2 7 ATOM 10460 H HG3 . LYS A 1 83 ? 6.450 -15.367 -3.492 1.00 0.00 ? 83 LYS A HG3 7 ATOM 10461 H HD2 . LYS A 1 83 ? 4.938 -16.949 -5.000 1.00 0.00 ? 83 LYS A HD2 7 ATOM 10462 H HD3 . LYS A 1 83 ? 3.647 -16.106 -4.140 1.00 0.00 ? 83 LYS A HD3 7 ATOM 10463 H HE2 . LYS A 1 83 ? 3.997 -14.808 -6.048 1.00 0.00 ? 83 LYS A HE2 7 ATOM 10464 H HE3 . LYS A 1 83 ? 4.886 -13.957 -4.786 1.00 0.00 ? 83 LYS A HE3 7 ATOM 10465 H HZ1 . LYS A 1 83 ? 5.858 -14.956 -7.209 1.00 0.00 ? 83 LYS A HZ1 7 ATOM 10466 H HZ2 . LYS A 1 83 ? 6.600 -15.829 -5.965 1.00 0.00 ? 83 LYS A HZ2 7 ATOM 10467 H HZ3 . LYS A 1 83 ? 6.712 -14.142 -5.996 1.00 0.00 ? 83 LYS A HZ3 7 ATOM 10468 N N . ARG A 1 84 ? 6.502 -19.331 -0.389 1.00 0.00 ? 84 ARG A N 7 ATOM 10469 C CA . ARG A 1 84 ? 7.048 -20.597 0.085 1.00 0.00 ? 84 ARG A CA 7 ATOM 10470 C C . ARG A 1 84 ? 6.342 -21.051 1.359 1.00 0.00 ? 84 ARG A C 7 ATOM 10471 O O . ARG A 1 84 ? 6.054 -22.235 1.533 1.00 0.00 ? 84 ARG A O 7 ATOM 10472 C CB . ARG A 1 84 ? 8.550 -20.466 0.340 1.00 0.00 ? 84 ARG A CB 7 ATOM 10473 C CG . ARG A 1 84 ? 8.891 -19.582 1.529 1.00 0.00 ? 84 ARG A CG 7 ATOM 10474 C CD . ARG A 1 84 ? 10.385 -19.578 1.810 1.00 0.00 ? 84 ARG A CD 7 ATOM 10475 N NE . ARG A 1 84 ? 11.127 -18.810 0.814 1.00 0.00 ? 84 ARG A NE 7 ATOM 10476 C CZ . ARG A 1 84 ? 11.252 -17.487 0.850 1.00 0.00 ? 84 ARG A CZ 7 ATOM 10477 N NH1 . ARG A 1 84 ? 10.688 -16.791 1.827 1.00 0.00 ? 84 ARG A NH1 7 ATOM 10478 N NH2 . ARG A 1 84 ? 11.944 -16.860 -0.092 1.00 0.00 ? 84 ARG A NH2 7 ATOM 10479 H H . ARG A 1 84 ? 6.872 -18.492 -0.042 1.00 0.00 ? 84 ARG A H 7 ATOM 10480 H HA . ARG A 1 84 ? 6.886 -21.337 -0.685 1.00 0.00 ? 84 ARG A HA 7 ATOM 10481 H HB2 . ARG A 1 84 ? 8.960 -21.449 0.522 1.00 0.00 ? 84 ARG A HB2 7 ATOM 10482 H HB3 . ARG A 1 84 ? 9.017 -20.046 -0.538 1.00 0.00 ? 84 ARG A HB3 7 ATOM 10483 H HG2 . ARG A 1 84 ? 8.573 -18.572 1.317 1.00 0.00 ? 84 ARG A HG2 7 ATOM 10484 H HG3 . ARG A 1 84 ? 8.370 -19.951 2.400 1.00 0.00 ? 84 ARG A HG3 7 ATOM 10485 H HD2 . ARG A 1 84 ? 10.554 -19.144 2.784 1.00 0.00 ? 84 ARG A HD2 7 ATOM 10486 H HD3 . ARG A 1 84 ? 10.742 -20.597 1.804 1.00 0.00 ? 84 ARG A HD3 7 ATOM 10487 H HE . ARG A 1 84 ? 11.553 -19.304 0.084 1.00 0.00 ? 84 ARG A HE 7 ATOM 10488 H HH11 . ARG A 1 84 ? 10.167 -17.262 2.539 1.00 0.00 ? 84 ARG A HH11 7 ATOM 10489 H HH12 . ARG A 1 84 ? 10.785 -15.796 1.852 1.00 0.00 ? 84 ARG A HH12 7 ATOM 10490 H HH21 . ARG A 1 84 ? 12.371 -17.381 -0.830 1.00 0.00 ? 84 ARG A HH21 7 ATOM 10491 H HH22 . ARG A 1 84 ? 12.037 -15.865 -0.065 1.00 0.00 ? 84 ARG A HH22 7 ATOM 10492 N N . GLU A 1 85 ? 6.066 -20.101 2.247 1.00 0.00 ? 85 GLU A N 7 ATOM 10493 C CA . GLU A 1 85 ? 5.396 -20.404 3.506 1.00 0.00 ? 85 GLU A CA 7 ATOM 10494 C C . GLU A 1 85 ? 4.021 -21.017 3.256 1.00 0.00 ? 85 GLU A C 7 ATOM 10495 O O . GLU A 1 85 ? 3.767 -22.165 3.619 1.00 0.00 ? 85 GLU A O 7 ATOM 10496 C CB . GLU A 1 85 ? 5.255 -19.137 4.353 1.00 0.00 ? 85 GLU A CB 7 ATOM 10497 C CG . GLU A 1 85 ? 6.554 -18.365 4.514 1.00 0.00 ? 85 GLU A CG 7 ATOM 10498 C CD . GLU A 1 85 ? 7.348 -18.808 5.727 1.00 0.00 ? 85 GLU A CD 7 ATOM 10499 O OE1 . GLU A 1 85 ? 6.729 -19.052 6.784 1.00 0.00 ? 85 GLU A OE1 7 ATOM 10500 O OE2 . GLU A 1 85 ? 8.588 -18.911 5.620 1.00 0.00 ? 85 GLU A OE2 7 ATOM 10501 H H . GLU A 1 85 ? 6.321 -19.175 2.052 1.00 0.00 ? 85 GLU A H 7 ATOM 10502 H HA . GLU A 1 85 ? 6.003 -21.118 4.042 1.00 0.00 ? 85 GLU A HA 7 ATOM 10503 H HB2 . GLU A 1 85 ? 4.529 -18.487 3.888 1.00 0.00 ? 85 GLU A HB2 7 ATOM 10504 H HB3 . GLU A 1 85 ? 4.900 -19.413 5.335 1.00 0.00 ? 85 GLU A HB3 7 ATOM 10505 H HG2 . GLU A 1 85 ? 7.159 -18.516 3.633 1.00 0.00 ? 85 GLU A HG2 7 ATOM 10506 H HG3 . GLU A 1 85 ? 6.323 -17.315 4.617 1.00 0.00 ? 85 GLU A HG3 7 ATOM 10507 N N . GLU A 1 86 ? 3.138 -20.242 2.634 1.00 0.00 ? 86 GLU A N 7 ATOM 10508 C CA . GLU A 1 86 ? 1.789 -20.709 2.337 1.00 0.00 ? 86 GLU A CA 7 ATOM 10509 C C . GLU A 1 86 ? 1.817 -22.114 1.743 1.00 0.00 ? 86 GLU A C 7 ATOM 10510 O O . GLU A 1 86 ? 1.009 -22.969 2.105 1.00 0.00 ? 86 GLU A O 7 ATOM 10511 C CB . GLU A 1 86 ? 1.094 -19.748 1.369 1.00 0.00 ? 86 GLU A CB 7 ATOM 10512 C CG . GLU A 1 86 ? -0.421 -19.766 1.477 1.00 0.00 ? 86 GLU A CG 7 ATOM 10513 C CD . GLU A 1 86 ? -1.076 -18.668 0.661 1.00 0.00 ? 86 GLU A CD 7 ATOM 10514 O OE1 . GLU A 1 86 ? -0.910 -17.483 1.018 1.00 0.00 ? 86 GLU A OE1 7 ATOM 10515 O OE2 . GLU A 1 86 ? -1.755 -18.995 -0.335 1.00 0.00 ? 86 GLU A OE2 7 ATOM 10516 H H . GLU A 1 86 ? 3.400 -19.336 2.369 1.00 0.00 ? 86 GLU A H 7 ATOM 10517 H HA . GLU A 1 86 ? 1.235 -20.734 3.263 1.00 0.00 ? 86 GLU A HA 7 ATOM 10518 H HB2 . GLU A 1 86 ? 1.438 -18.744 1.569 1.00 0.00 ? 86 GLU A HB2 7 ATOM 10519 H HB3 . GLU A 1 86 ? 1.366 -20.017 0.359 1.00 0.00 ? 86 GLU A HB3 7 ATOM 10520 H HG2 . GLU A 1 86 ? -0.783 -20.720 1.124 1.00 0.00 ? 86 GLU A HG2 7 ATOM 10521 H HG3 . GLU A 1 86 ? -0.697 -19.637 2.513 1.00 0.00 ? 86 GLU A HG3 7 ATOM 10522 N N . ARG A 1 87 ? 2.753 -22.344 0.828 1.00 0.00 ? 87 ARG A N 7 ATOM 10523 C CA . ARG A 1 87 ? 2.887 -23.644 0.182 1.00 0.00 ? 87 ARG A CA 7 ATOM 10524 C C . ARG A 1 87 ? 2.918 -24.765 1.217 1.00 0.00 ? 87 ARG A C 7 ATOM 10525 O O . ARG A 1 87 ? 2.213 -25.767 1.085 1.00 0.00 ? 87 ARG A O 7 ATOM 10526 C CB . ARG A 1 87 ? 4.157 -23.687 -0.669 1.00 0.00 ? 87 ARG A CB 7 ATOM 10527 C CG . ARG A 1 87 ? 3.945 -23.229 -2.103 1.00 0.00 ? 87 ARG A CG 7 ATOM 10528 C CD . ARG A 1 87 ? 3.342 -24.333 -2.957 1.00 0.00 ? 87 ARG A CD 7 ATOM 10529 N NE . ARG A 1 87 ? 3.153 -23.913 -4.342 1.00 0.00 ? 87 ARG A NE 7 ATOM 10530 C CZ . ARG A 1 87 ? 4.145 -23.800 -5.218 1.00 0.00 ? 87 ARG A CZ 7 ATOM 10531 N NH1 . ARG A 1 87 ? 5.390 -24.076 -4.854 1.00 0.00 ? 87 ARG A NH1 7 ATOM 10532 N NH2 . ARG A 1 87 ? 3.893 -23.412 -6.461 1.00 0.00 ? 87 ARG A NH2 7 ATOM 10533 H H . ARG A 1 87 ? 3.369 -21.622 0.581 1.00 0.00 ? 87 ARG A H 7 ATOM 10534 H HA . ARG A 1 87 ? 2.030 -23.786 -0.459 1.00 0.00 ? 87 ARG A HA 7 ATOM 10535 H HB2 . ARG A 1 87 ? 4.901 -23.047 -0.217 1.00 0.00 ? 87 ARG A HB2 7 ATOM 10536 H HB3 . ARG A 1 87 ? 4.529 -24.700 -0.689 1.00 0.00 ? 87 ARG A HB3 7 ATOM 10537 H HG2 . ARG A 1 87 ? 3.276 -22.381 -2.105 1.00 0.00 ? 87 ARG A HG2 7 ATOM 10538 H HG3 . ARG A 1 87 ? 4.897 -22.940 -2.523 1.00 0.00 ? 87 ARG A HG3 7 ATOM 10539 H HD2 . ARG A 1 87 ? 4.002 -25.187 -2.937 1.00 0.00 ? 87 ARG A HD2 7 ATOM 10540 H HD3 . ARG A 1 87 ? 2.384 -24.609 -2.540 1.00 0.00 ? 87 ARG A HD3 7 ATOM 10541 H HE . ARG A 1 87 ? 2.241 -23.704 -4.633 1.00 0.00 ? 87 ARG A HE 7 ATOM 10542 H HH11 . ARG A 1 87 ? 5.582 -24.371 -3.918 1.00 0.00 ? 87 ARG A HH11 7 ATOM 10543 H HH12 . ARG A 1 87 ? 6.135 -23.992 -5.515 1.00 0.00 ? 87 ARG A HH12 7 ATOM 10544 H HH21 . ARG A 1 87 ? 2.956 -23.203 -6.740 1.00 0.00 ? 87 ARG A HH21 7 ATOM 10545 H HH22 . ARG A 1 87 ? 4.641 -23.327 -7.120 1.00 0.00 ? 87 ARG A HH22 7 ATOM 10546 N N . LEU A 1 88 ? 3.739 -24.590 2.247 1.00 0.00 ? 88 LEU A N 7 ATOM 10547 C CA . LEU A 1 88 ? 3.862 -25.587 3.305 1.00 0.00 ? 88 LEU A CA 7 ATOM 10548 C C . LEU A 1 88 ? 2.522 -25.817 3.995 1.00 0.00 ? 88 LEU A C 7 ATOM 10549 O O . LEU A 1 88 ? 2.171 -26.948 4.333 1.00 0.00 ? 88 LEU A O 7 ATOM 10550 C CB . LEU A 1 88 ? 4.908 -25.144 4.330 1.00 0.00 ? 88 LEU A CB 7 ATOM 10551 C CG . LEU A 1 88 ? 6.343 -25.599 4.065 1.00 0.00 ? 88 LEU A CG 7 ATOM 10552 C CD1 . LEU A 1 88 ? 6.384 -27.089 3.766 1.00 0.00 ? 88 LEU A CD1 7 ATOM 10553 C CD2 . LEU A 1 88 ? 6.951 -24.806 2.917 1.00 0.00 ? 88 LEU A CD2 7 ATOM 10554 H H . LEU A 1 88 ? 4.275 -23.772 2.297 1.00 0.00 ? 88 LEU A H 7 ATOM 10555 H HA . LEU A 1 88 ? 4.184 -26.513 2.852 1.00 0.00 ? 88 LEU A HA 7 ATOM 10556 H HB2 . LEU A 1 88 ? 4.904 -24.065 4.361 1.00 0.00 ? 88 LEU A HB2 7 ATOM 10557 H HB3 . LEU A 1 88 ? 4.609 -25.531 5.294 1.00 0.00 ? 88 LEU A HB3 7 ATOM 10558 H HG . LEU A 1 88 ? 6.940 -25.420 4.949 1.00 0.00 ? 88 LEU A HG 7 ATOM 10559 H HD11 . LEU A 1 88 ? 5.668 -27.602 4.391 1.00 0.00 ? 88 LEU A HD11 7 ATOM 10560 H HD12 . LEU A 1 88 ? 7.374 -27.470 3.966 1.00 0.00 ? 88 LEU A HD12 7 ATOM 10561 H HD13 . LEU A 1 88 ? 6.138 -27.254 2.726 1.00 0.00 ? 88 LEU A HD13 7 ATOM 10562 H HD21 . LEU A 1 88 ? 6.172 -24.522 2.225 1.00 0.00 ? 88 LEU A HD21 7 ATOM 10563 H HD22 . LEU A 1 88 ? 7.682 -25.415 2.406 1.00 0.00 ? 88 LEU A HD22 7 ATOM 10564 H HD23 . LEU A 1 88 ? 7.428 -23.919 3.306 1.00 0.00 ? 88 LEU A HD23 7 ATOM 10565 N N . LYS A 1 89 ? 1.775 -24.738 4.201 1.00 0.00 ? 89 LYS A N 7 ATOM 10566 C CA . LYS A 1 89 ? 0.471 -24.821 4.847 1.00 0.00 ? 89 LYS A CA 7 ATOM 10567 C C . LYS A 1 89 ? -0.648 -24.867 3.812 1.00 0.00 ? 89 LYS A C 7 ATOM 10568 O O . LYS A 1 89 ? -1.783 -24.484 4.093 1.00 0.00 ? 89 LYS A O 7 ATOM 10569 C CB . LYS A 1 89 ? 0.265 -23.627 5.782 1.00 0.00 ? 89 LYS A CB 7 ATOM 10570 C CG . LYS A 1 89 ? 0.100 -22.304 5.053 1.00 0.00 ? 89 LYS A CG 7 ATOM 10571 C CD . LYS A 1 89 ? -0.743 -21.327 5.855 1.00 0.00 ? 89 LYS A CD 7 ATOM 10572 C CE . LYS A 1 89 ? 0.041 -20.735 7.016 1.00 0.00 ? 89 LYS A CE 7 ATOM 10573 N NZ . LYS A 1 89 ? -0.845 -20.032 7.983 1.00 0.00 ? 89 LYS A NZ 7 ATOM 10574 H H . LYS A 1 89 ? 2.109 -23.863 3.909 1.00 0.00 ? 89 LYS A H 7 ATOM 10575 H HA . LYS A 1 89 ? 0.446 -25.730 5.428 1.00 0.00 ? 89 LYS A HA 7 ATOM 10576 H HB2 . LYS A 1 89 ? -0.620 -23.799 6.377 1.00 0.00 ? 89 LYS A HB2 7 ATOM 10577 H HB3 . LYS A 1 89 ? 1.120 -23.548 6.439 1.00 0.00 ? 89 LYS A HB3 7 ATOM 10578 H HG2 . LYS A 1 89 ? 1.075 -21.871 4.888 1.00 0.00 ? 89 LYS A HG2 7 ATOM 10579 H HG3 . LYS A 1 89 ? -0.381 -22.486 4.103 1.00 0.00 ? 89 LYS A HG3 7 ATOM 10580 H HD2 . LYS A 1 89 ? -1.064 -20.526 5.206 1.00 0.00 ? 89 LYS A HD2 7 ATOM 10581 H HD3 . LYS A 1 89 ? -1.608 -21.846 6.244 1.00 0.00 ? 89 LYS A HD3 7 ATOM 10582 H HE2 . LYS A 1 89 ? 0.558 -21.533 7.528 1.00 0.00 ? 89 LYS A HE2 7 ATOM 10583 H HE3 . LYS A 1 89 ? 0.763 -20.033 6.624 1.00 0.00 ? 89 LYS A HE3 7 ATOM 10584 H HZ1 . LYS A 1 89 ? -0.370 -19.944 8.904 1.00 0.00 ? 89 LYS A HZ1 7 ATOM 10585 H HZ2 . LYS A 1 89 ? -1.729 -20.565 8.111 1.00 0.00 ? 89 LYS A HZ2 7 ATOM 10586 H HZ3 . LYS A 1 89 ? -1.075 -19.080 7.631 1.00 0.00 ? 89 LYS A HZ3 7 ATOM 10587 N N . ALA A 1 90 ? -0.320 -25.341 2.614 1.00 0.00 ? 90 ALA A N 7 ATOM 10588 C CA . ALA A 1 90 ? -1.299 -25.441 1.538 1.00 0.00 ? 90 ALA A CA 7 ATOM 10589 C C . ALA A 1 90 ? -1.572 -26.897 1.179 1.00 0.00 ? 90 ALA A C 7 ATOM 10590 O O . ALA A 1 90 ? -0.754 -27.778 1.446 1.00 0.00 ? 90 ALA A O 7 ATOM 10591 C CB . ALA A 1 90 ? -0.818 -24.675 0.315 1.00 0.00 ? 90 ALA A CB 7 ATOM 10592 H H . ALA A 1 90 ? 0.601 -25.631 2.451 1.00 0.00 ? 90 ALA A H 7 ATOM 10593 H HA . ALA A 1 90 ? -2.217 -24.986 1.879 1.00 0.00 ? 90 ALA A HA 7 ATOM 10594 H HB1 . ALA A 1 90 ? 0.167 -24.274 0.506 1.00 0.00 ? 90 ALA A HB1 7 ATOM 10595 H HB2 . ALA A 1 90 ? -0.778 -25.341 -0.534 1.00 0.00 ? 90 ALA A HB2 7 ATOM 10596 H HB3 . ALA A 1 90 ? -1.501 -23.865 0.106 1.00 0.00 ? 90 ALA A HB3 7 ATOM 10597 N N . HIS A 1 91 ? -2.729 -27.145 0.572 1.00 0.00 ? 91 HIS A N 7 ATOM 10598 C CA . HIS A 1 91 ? -3.111 -28.496 0.176 1.00 0.00 ? 91 HIS A CA 7 ATOM 10599 C C . HIS A 1 91 ? -3.471 -28.546 -1.306 1.00 0.00 ? 91 HIS A C 7 ATOM 10600 O O . HIS A 1 91 ? -4.516 -28.041 -1.718 1.00 0.00 ? 91 HIS A O 7 ATOM 10601 C CB . HIS A 1 91 ? -4.291 -28.982 1.017 1.00 0.00 ? 91 HIS A CB 7 ATOM 10602 C CG . HIS A 1 91 ? -4.597 -30.437 0.835 1.00 0.00 ? 91 HIS A CG 7 ATOM 10603 N ND1 . HIS A 1 91 ? -5.027 -31.250 1.863 1.00 0.00 ? 91 HIS A ND1 7 ATOM 10604 C CD2 . HIS A 1 91 ? -4.536 -31.224 -0.265 1.00 0.00 ? 91 HIS A CD2 7 ATOM 10605 C CE1 . HIS A 1 91 ? -5.214 -32.474 1.403 1.00 0.00 ? 91 HIS A CE1 7 ATOM 10606 N NE2 . HIS A 1 91 ? -4.924 -32.485 0.115 1.00 0.00 ? 91 HIS A NE2 7 ATOM 10607 H H . HIS A 1 91 ? -3.340 -26.402 0.386 1.00 0.00 ? 91 HIS A H 7 ATOM 10608 H HA . HIS A 1 91 ? -2.265 -29.144 0.350 1.00 0.00 ? 91 HIS A HA 7 ATOM 10609 H HB2 . HIS A 1 91 ? -4.072 -28.818 2.062 1.00 0.00 ? 91 HIS A HB2 7 ATOM 10610 H HB3 . HIS A 1 91 ? -5.174 -28.420 0.747 1.00 0.00 ? 91 HIS A HB3 7 ATOM 10611 H HD1 . HIS A 1 91 ? -5.171 -30.972 2.791 1.00 0.00 ? 91 HIS A HD1 7 ATOM 10612 H HD2 . HIS A 1 91 ? -4.237 -30.917 -1.257 1.00 0.00 ? 91 HIS A HD2 7 ATOM 10613 H HE1 . HIS A 1 91 ? -5.549 -33.323 1.982 1.00 0.00 ? 91 HIS A HE1 7 ATOM 10614 H HE2 . HIS A 1 91 ? -4.895 -33.285 -0.451 1.00 0.00 ? 91 HIS A HE2 7 ATOM 10615 N N . SER A 1 92 ? -2.600 -29.158 -2.101 1.00 0.00 ? 92 SER A N 7 ATOM 10616 C CA . SER A 1 92 ? -2.825 -29.270 -3.538 1.00 0.00 ? 92 SER A CA 7 ATOM 10617 C C . SER A 1 92 ? -2.429 -30.654 -4.043 1.00 0.00 ? 92 SER A C 7 ATOM 10618 O O . SER A 1 92 ? -1.368 -31.174 -3.698 1.00 0.00 ? 92 SER A O 7 ATOM 10619 C CB . SER A 1 92 ? -2.032 -28.196 -4.285 1.00 0.00 ? 92 SER A CB 7 ATOM 10620 O OG . SER A 1 92 ? -0.639 -28.447 -4.211 1.00 0.00 ? 92 SER A OG 7 ATOM 10621 H H . SER A 1 92 ? -1.786 -29.541 -1.713 1.00 0.00 ? 92 SER A H 7 ATOM 10622 H HA . SER A 1 92 ? -3.878 -29.121 -3.721 1.00 0.00 ? 92 SER A HA 7 ATOM 10623 H HB2 . SER A 1 92 ? -2.330 -28.189 -5.322 1.00 0.00 ? 92 SER A HB2 7 ATOM 10624 H HB3 . SER A 1 92 ? -2.235 -27.231 -3.844 1.00 0.00 ? 92 SER A HB3 7 ATOM 10625 H HG . SER A 1 92 ? -0.467 -29.366 -4.431 1.00 0.00 ? 92 SER A HG 7 ATOM 10626 N N . GLY A 1 93 ? -3.291 -31.247 -4.864 1.00 0.00 ? 93 GLY A N 7 ATOM 10627 C CA . GLY A 1 93 ? -3.016 -32.565 -5.404 1.00 0.00 ? 93 GLY A CA 7 ATOM 10628 C C . GLY A 1 93 ? -3.712 -32.807 -6.728 1.00 0.00 ? 93 GLY A C 7 ATOM 10629 O O . GLY A 1 93 ? -3.147 -32.589 -7.800 1.00 0.00 ? 93 GLY A O 7 ATOM 10630 H H . GLY A 1 93 ? -4.122 -30.785 -5.104 1.00 0.00 ? 93 GLY A H 7 ATOM 10631 H HA2 . GLY A 1 93 ? -1.950 -32.669 -5.545 1.00 0.00 ? 93 GLY A HA2 7 ATOM 10632 H HA3 . GLY A 1 93 ? -3.348 -33.309 -4.695 1.00 0.00 ? 93 GLY A HA3 7 ATOM 10633 N N . PRO A 1 94 ? -4.969 -33.270 -6.664 1.00 0.00 ? 94 PRO A N 7 ATOM 10634 C CA . PRO A 1 94 ? -5.771 -33.553 -7.859 1.00 0.00 ? 94 PRO A CA 7 ATOM 10635 C C . PRO A 1 94 ? -6.172 -32.283 -8.601 1.00 0.00 ? 94 PRO A C 7 ATOM 10636 O O . PRO A 1 94 ? -6.471 -32.318 -9.795 1.00 0.00 ? 94 PRO A O 7 ATOM 10637 C CB . PRO A 1 94 ? -7.008 -34.257 -7.297 1.00 0.00 ? 94 PRO A CB 7 ATOM 10638 C CG . PRO A 1 94 ? -7.116 -33.771 -5.893 1.00 0.00 ? 94 PRO A CG 7 ATOM 10639 C CD . PRO A 1 94 ? -5.706 -33.553 -5.420 1.00 0.00 ? 94 PRO A CD 7 ATOM 10640 H HA . PRO A 1 94 ? -5.253 -34.216 -8.536 1.00 0.00 ? 94 PRO A HA 7 ATOM 10641 H HB2 . PRO A 1 94 ? -7.877 -33.983 -7.879 1.00 0.00 ? 94 PRO A HB2 7 ATOM 10642 H HB3 . PRO A 1 94 ? -6.866 -35.327 -7.334 1.00 0.00 ? 94 PRO A HB3 7 ATOM 10643 H HG2 . PRO A 1 94 ? -7.669 -32.844 -5.867 1.00 0.00 ? 94 PRO A HG2 7 ATOM 10644 H HG3 . PRO A 1 94 ? -7.604 -34.518 -5.283 1.00 0.00 ? 94 PRO A HG3 7 ATOM 10645 H HD2 . PRO A 1 94 ? -5.660 -32.711 -4.745 1.00 0.00 ? 94 PRO A HD2 7 ATOM 10646 H HD3 . PRO A 1 94 ? -5.325 -34.443 -4.942 1.00 0.00 ? 94 PRO A HD3 7 ATOM 10647 N N . SER A 1 95 ? -6.176 -31.161 -7.887 1.00 0.00 ? 95 SER A N 7 ATOM 10648 C CA . SER A 1 95 ? -6.544 -29.880 -8.479 1.00 0.00 ? 95 SER A CA 7 ATOM 10649 C C . SER A 1 95 ? -5.357 -29.257 -9.206 1.00 0.00 ? 95 SER A C 7 ATOM 10650 O O . SER A 1 95 ? -5.500 -28.724 -10.307 1.00 0.00 ? 95 SER A O 7 ATOM 10651 C CB . SER A 1 95 ? -7.055 -28.924 -7.399 1.00 0.00 ? 95 SER A CB 7 ATOM 10652 O OG . SER A 1 95 ? -5.997 -28.484 -6.566 1.00 0.00 ? 95 SER A OG 7 ATOM 10653 H H . SER A 1 95 ? -5.928 -31.197 -6.940 1.00 0.00 ? 95 SER A H 7 ATOM 10654 H HA . SER A 1 95 ? -7.335 -30.059 -9.192 1.00 0.00 ? 95 SER A HA 7 ATOM 10655 H HB2 . SER A 1 95 ? -7.509 -28.065 -7.868 1.00 0.00 ? 95 SER A HB2 7 ATOM 10656 H HB3 . SER A 1 95 ? -7.789 -29.432 -6.790 1.00 0.00 ? 95 SER A HB3 7 ATOM 10657 H HG . SER A 1 95 ? -5.625 -27.674 -6.921 1.00 0.00 ? 95 SER A HG 7 ATOM 10658 N N . SER A 1 96 ? -4.186 -29.327 -8.582 1.00 0.00 ? 96 SER A N 7 ATOM 10659 C CA . SER A 1 96 ? -2.973 -28.766 -9.167 1.00 0.00 ? 96 SER A CA 7 ATOM 10660 C C . SER A 1 96 ? -2.263 -29.798 -10.038 1.00 0.00 ? 96 SER A C 7 ATOM 10661 O O . SER A 1 96 ? -1.719 -30.782 -9.537 1.00 0.00 ? 96 SER A O 7 ATOM 10662 C CB . SER A 1 96 ? -2.031 -28.275 -8.067 1.00 0.00 ? 96 SER A CB 7 ATOM 10663 O OG . SER A 1 96 ? -1.668 -29.333 -7.196 1.00 0.00 ? 96 SER A OG 7 ATOM 10664 H H . SER A 1 96 ? -4.136 -29.764 -7.706 1.00 0.00 ? 96 SER A H 7 ATOM 10665 H HA . SER A 1 96 ? -3.260 -27.928 -9.785 1.00 0.00 ? 96 SER A HA 7 ATOM 10666 H HB2 . SER A 1 96 ? -1.136 -27.872 -8.516 1.00 0.00 ? 96 SER A HB2 7 ATOM 10667 H HB3 . SER A 1 96 ? -2.524 -27.504 -7.492 1.00 0.00 ? 96 SER A HB3 7 ATOM 10668 H HG . SER A 1 96 ? -1.662 -30.160 -7.683 1.00 0.00 ? 96 SER A HG 7 ATOM 10669 N N . GLY A 1 97 ? -2.271 -29.566 -11.347 1.00 0.00 ? 97 GLY A N 7 ATOM 10670 C CA . GLY A 1 97 ? -1.625 -30.483 -12.268 1.00 0.00 ? 97 GLY A CA 7 ATOM 10671 C C . GLY A 1 97 ? -0.190 -30.094 -12.561 1.00 0.00 ? 97 GLY A C 7 ATOM 10672 O O . GLY A 1 97 ? 0.294 -30.279 -13.678 1.00 0.00 ? 97 GLY A O 7 ATOM 10673 H H . GLY A 1 97 ? -2.720 -28.765 -11.690 1.00 0.00 ? 97 GLY A H 7 ATOM 10674 H HA2 . GLY A 1 97 ? -1.639 -31.474 -11.840 1.00 0.00 ? 97 GLY A HA2 7 ATOM 10675 H HA3 . GLY A 1 97 ? -2.180 -30.494 -13.195 1.00 0.00 ? 97 GLY A HA3 7 ATOM 10676 N N . GLY A 1 1 ? 3.267 21.458 17.658 1.00 0.00 ? 1 GLY A N 8 ATOM 10677 C CA . GLY A 1 1 ? 3.060 20.798 16.383 1.00 0.00 ? 1 GLY A CA 8 ATOM 10678 C C . GLY A 1 1 ? 1.879 21.365 15.620 1.00 0.00 ? 1 GLY A C 8 ATOM 10679 O O . GLY A 1 1 ? 0.942 20.640 15.285 1.00 0.00 ? 1 GLY A O 8 ATOM 10680 H H1 . GLY A 1 1 ? 3.232 22.437 17.712 1.00 0.00 ? 1 GLY A H1 8 ATOM 10681 H HA2 . GLY A 1 1 ? 3.951 20.910 15.782 1.00 0.00 ? 1 GLY A HA2 8 ATOM 10682 H HA3 . GLY A 1 1 ? 2.888 19.746 16.559 1.00 0.00 ? 1 GLY A HA3 8 ATOM 10683 N N . SER A 1 2 ? 1.922 22.665 15.348 1.00 0.00 ? 2 SER A N 8 ATOM 10684 C CA . SER A 1 2 ? 0.844 23.331 14.625 1.00 0.00 ? 2 SER A CA 8 ATOM 10685 C C . SER A 1 2 ? 0.577 22.640 13.291 1.00 0.00 ? 2 SER A C 8 ATOM 10686 O O . SER A 1 2 ? 1.477 22.497 12.463 1.00 0.00 ? 2 SER A O 8 ATOM 10687 C CB . SER A 1 2 ? 1.192 24.802 14.390 1.00 0.00 ? 2 SER A CB 8 ATOM 10688 O OG . SER A 1 2 ? 2.390 24.930 13.644 1.00 0.00 ? 2 SER A OG 8 ATOM 10689 H H . SER A 1 2 ? 2.696 23.190 15.642 1.00 0.00 ? 2 SER A H 8 ATOM 10690 H HA . SER A 1 2 ? -0.047 23.272 15.232 1.00 0.00 ? 2 SER A HA 8 ATOM 10691 H HB2 . SER A 1 2 ? 0.390 25.276 13.845 1.00 0.00 ? 2 SER A HB2 8 ATOM 10692 H HB3 . SER A 1 2 ? 1.321 25.295 15.343 1.00 0.00 ? 2 SER A HB3 8 ATOM 10693 H HG . SER A 1 2 ? 3.045 24.316 13.982 1.00 0.00 ? 2 SER A HG 8 ATOM 10694 N N . SER A 1 3 ? -0.666 22.214 13.091 1.00 0.00 ? 3 SER A N 8 ATOM 10695 C CA . SER A 1 3 ? -1.052 21.534 11.860 1.00 0.00 ? 3 SER A CA 8 ATOM 10696 C C . SER A 1 3 ? -2.550 21.677 11.608 1.00 0.00 ? 3 SER A C 8 ATOM 10697 O O . SER A 1 3 ? -3.370 21.312 12.449 1.00 0.00 ? 3 SER A O 8 ATOM 10698 C CB . SER A 1 3 ? -0.674 20.053 11.929 1.00 0.00 ? 3 SER A CB 8 ATOM 10699 O OG . SER A 1 3 ? -1.249 19.433 13.066 1.00 0.00 ? 3 SER A OG 8 ATOM 10700 H H . SER A 1 3 ? -1.338 22.357 13.790 1.00 0.00 ? 3 SER A H 8 ATOM 10701 H HA . SER A 1 3 ? -0.516 21.996 11.044 1.00 0.00 ? 3 SER A HA 8 ATOM 10702 H HB2 . SER A 1 3 ? -1.029 19.552 11.042 1.00 0.00 ? 3 SER A HB2 8 ATOM 10703 H HB3 . SER A 1 3 ? 0.401 19.962 11.989 1.00 0.00 ? 3 SER A HB3 8 ATOM 10704 H HG . SER A 1 3 ? -2.100 19.835 13.255 1.00 0.00 ? 3 SER A HG 8 ATOM 10705 N N . GLY A 1 4 ? -2.899 22.211 10.441 1.00 0.00 ? 4 GLY A N 8 ATOM 10706 C CA . GLY A 1 4 ? -4.297 22.393 10.097 1.00 0.00 ? 4 GLY A CA 8 ATOM 10707 C C . GLY A 1 4 ? -4.508 23.518 9.103 1.00 0.00 ? 4 GLY A C 8 ATOM 10708 O O . GLY A 1 4 ? -4.179 23.383 7.925 1.00 0.00 ? 4 GLY A O 8 ATOM 10709 H H . GLY A 1 4 ? -2.201 22.483 9.809 1.00 0.00 ? 4 GLY A H 8 ATOM 10710 H HA2 . GLY A 1 4 ? -4.675 21.475 9.672 1.00 0.00 ? 4 GLY A HA2 8 ATOM 10711 H HA3 . GLY A 1 4 ? -4.851 22.616 10.998 1.00 0.00 ? 4 GLY A HA3 8 ATOM 10712 N N . SER A 1 5 ? -5.059 24.630 9.579 1.00 0.00 ? 5 SER A N 8 ATOM 10713 C CA . SER A 1 5 ? -5.319 25.781 8.722 1.00 0.00 ? 5 SER A CA 8 ATOM 10714 C C . SER A 1 5 ? -4.194 25.969 7.709 1.00 0.00 ? 5 SER A C 8 ATOM 10715 O O . SER A 1 5 ? -4.441 26.170 6.520 1.00 0.00 ? 5 SER A O 8 ATOM 10716 C CB . SER A 1 5 ? -5.476 27.047 9.566 1.00 0.00 ? 5 SER A CB 8 ATOM 10717 O OG . SER A 1 5 ? -6.641 26.981 10.371 1.00 0.00 ? 5 SER A OG 8 ATOM 10718 H H . SER A 1 5 ? -5.299 24.676 10.528 1.00 0.00 ? 5 SER A H 8 ATOM 10719 H HA . SER A 1 5 ? -6.240 25.597 8.189 1.00 0.00 ? 5 SER A HA 8 ATOM 10720 H HB2 . SER A 1 5 ? -4.616 27.158 10.208 1.00 0.00 ? 5 SER A HB2 8 ATOM 10721 H HB3 . SER A 1 5 ? -5.552 27.905 8.913 1.00 0.00 ? 5 SER A HB3 8 ATOM 10722 H HG . SER A 1 5 ? -6.809 26.069 10.617 1.00 0.00 ? 5 SER A HG 8 ATOM 10723 N N . SER A 1 6 ? -2.956 25.901 8.189 1.00 0.00 ? 6 SER A N 8 ATOM 10724 C CA . SER A 1 6 ? -1.792 26.067 7.327 1.00 0.00 ? 6 SER A CA 8 ATOM 10725 C C . SER A 1 6 ? -1.162 24.717 6.998 1.00 0.00 ? 6 SER A C 8 ATOM 10726 O O . SER A 1 6 ? -0.144 24.338 7.576 1.00 0.00 ? 6 SER A O 8 ATOM 10727 C CB . SER A 1 6 ? -0.759 26.975 7.998 1.00 0.00 ? 6 SER A CB 8 ATOM 10728 O OG . SER A 1 6 ? 0.045 27.632 7.034 1.00 0.00 ? 6 SER A OG 8 ATOM 10729 H H . SER A 1 6 ? -2.824 25.738 9.146 1.00 0.00 ? 6 SER A H 8 ATOM 10730 H HA . SER A 1 6 ? -2.122 26.530 6.409 1.00 0.00 ? 6 SER A HA 8 ATOM 10731 H HB2 . SER A 1 6 ? -1.269 27.719 8.591 1.00 0.00 ? 6 SER A HB2 8 ATOM 10732 H HB3 . SER A 1 6 ? -0.122 26.380 8.636 1.00 0.00 ? 6 SER A HB3 8 ATOM 10733 H HG . SER A 1 6 ? -0.466 28.325 6.609 1.00 0.00 ? 6 SER A HG 8 ATOM 10734 N N . GLY A 1 7 ? -1.776 23.995 6.066 1.00 0.00 ? 7 GLY A N 8 ATOM 10735 C CA . GLY A 1 7 ? -1.262 22.695 5.676 1.00 0.00 ? 7 GLY A CA 8 ATOM 10736 C C . GLY A 1 7 ? -1.970 22.134 4.459 1.00 0.00 ? 7 GLY A C 8 ATOM 10737 O O . GLY A 1 7 ? -3.196 22.192 4.363 1.00 0.00 ? 7 GLY A O 8 ATOM 10738 H H . GLY A 1 7 ? -2.585 24.349 5.639 1.00 0.00 ? 7 GLY A H 8 ATOM 10739 H HA2 . GLY A 1 7 ? -0.209 22.788 5.456 1.00 0.00 ? 7 GLY A HA2 8 ATOM 10740 H HA3 . GLY A 1 7 ? -1.389 22.009 6.500 1.00 0.00 ? 7 GLY A HA3 8 ATOM 10741 N N . MET A 1 8 ? -1.197 21.588 3.526 1.00 0.00 ? 8 MET A N 8 ATOM 10742 C CA . MET A 1 8 ? -1.758 21.014 2.308 1.00 0.00 ? 8 MET A CA 8 ATOM 10743 C C . MET A 1 8 ? -3.027 20.226 2.614 1.00 0.00 ? 8 MET A C 8 ATOM 10744 O O . MET A 1 8 ? -3.004 19.274 3.394 1.00 0.00 ? 8 MET A O 8 ATOM 10745 C CB . MET A 1 8 ? -0.732 20.107 1.627 1.00 0.00 ? 8 MET A CB 8 ATOM 10746 C CG . MET A 1 8 ? 0.287 20.863 0.791 1.00 0.00 ? 8 MET A CG 8 ATOM 10747 S SD . MET A 1 8 ? -0.368 21.374 -0.810 1.00 0.00 ? 8 MET A SD 8 ATOM 10748 C CE . MET A 1 8 ? 0.699 20.460 -1.920 1.00 0.00 ? 8 MET A CE 8 ATOM 10749 H H . MET A 1 8 ? -0.226 21.571 3.658 1.00 0.00 ? 8 MET A H 8 ATOM 10750 H HA . MET A 1 8 ? -2.005 21.827 1.642 1.00 0.00 ? 8 MET A HA 8 ATOM 10751 H HB2 . MET A 1 8 ? -0.202 19.550 2.385 1.00 0.00 ? 8 MET A HB2 8 ATOM 10752 H HB3 . MET A 1 8 ? -1.252 19.415 0.981 1.00 0.00 ? 8 MET A HB3 8 ATOM 10753 H HG2 . MET A 1 8 ? 0.597 21.744 1.333 1.00 0.00 ? 8 MET A HG2 8 ATOM 10754 H HG3 . MET A 1 8 ? 1.143 20.224 0.627 1.00 0.00 ? 8 MET A HG3 8 ATOM 10755 H HE1 . MET A 1 8 ? 1.721 20.780 -1.782 1.00 0.00 ? 8 MET A HE1 8 ATOM 10756 H HE2 . MET A 1 8 ? 0.620 19.404 -1.708 1.00 0.00 ? 8 MET A HE2 8 ATOM 10757 H HE3 . MET A 1 8 ? 0.399 20.646 -2.941 1.00 0.00 ? 8 MET A HE3 8 ATOM 10758 N N . GLU A 1 9 ? -4.133 20.629 1.996 1.00 0.00 ? 9 GLU A N 8 ATOM 10759 C CA . GLU A 1 9 ? -5.412 19.960 2.204 1.00 0.00 ? 9 GLU A CA 8 ATOM 10760 C C . GLU A 1 9 ? -6.013 19.509 0.876 1.00 0.00 ? 9 GLU A C 8 ATOM 10761 O O . GLU A 1 9 ? -6.979 20.094 0.389 1.00 0.00 ? 9 GLU A O 8 ATOM 10762 C CB . GLU A 1 9 ? -6.387 20.889 2.929 1.00 0.00 ? 9 GLU A CB 8 ATOM 10763 C CG . GLU A 1 9 ? -6.320 20.781 4.443 1.00 0.00 ? 9 GLU A CG 8 ATOM 10764 C CD . GLU A 1 9 ? -6.893 22.000 5.140 1.00 0.00 ? 9 GLU A CD 8 ATOM 10765 O OE1 . GLU A 1 9 ? -8.130 22.070 5.293 1.00 0.00 ? 9 GLU A OE1 8 ATOM 10766 O OE2 . GLU A 1 9 ? -6.102 22.883 5.534 1.00 0.00 ? 9 GLU A OE2 8 ATOM 10767 H H . GLU A 1 9 ? -4.088 21.395 1.386 1.00 0.00 ? 9 GLU A H 8 ATOM 10768 H HA . GLU A 1 9 ? -5.234 19.090 2.819 1.00 0.00 ? 9 GLU A HA 8 ATOM 10769 H HB2 . GLU A 1 9 ? -6.167 21.910 2.651 1.00 0.00 ? 9 GLU A HB2 8 ATOM 10770 H HB3 . GLU A 1 9 ? -7.393 20.650 2.616 1.00 0.00 ? 9 GLU A HB3 8 ATOM 10771 H HG2 . GLU A 1 9 ? -6.880 19.912 4.754 1.00 0.00 ? 9 GLU A HG2 8 ATOM 10772 H HG3 . GLU A 1 9 ? -5.288 20.668 4.738 1.00 0.00 ? 9 GLU A HG3 8 ATOM 10773 N N . GLY A 1 10 ? -5.431 18.464 0.294 1.00 0.00 ? 10 GLY A N 8 ATOM 10774 C CA . GLY A 1 10 ? -5.922 17.952 -0.972 1.00 0.00 ? 10 GLY A CA 8 ATOM 10775 C C . GLY A 1 10 ? -5.176 16.713 -1.425 1.00 0.00 ? 10 GLY A C 8 ATOM 10776 O O . GLY A 1 10 ? -5.742 15.625 -1.529 1.00 0.00 ? 10 GLY A O 8 ATOM 10777 H H . GLY A 1 10 ? -4.663 18.037 0.729 1.00 0.00 ? 10 GLY A H 8 ATOM 10778 H HA2 . GLY A 1 10 ? -6.969 17.712 -0.870 1.00 0.00 ? 10 GLY A HA2 8 ATOM 10779 H HA3 . GLY A 1 10 ? -5.811 18.720 -1.724 1.00 0.00 ? 10 GLY A HA3 8 ATOM 10780 N N . PRO A 1 11 ? -3.873 16.870 -1.704 1.00 0.00 ? 11 PRO A N 8 ATOM 10781 C CA . PRO A 1 11 ? -3.021 15.766 -2.154 1.00 0.00 ? 11 PRO A CA 8 ATOM 10782 C C . PRO A 1 11 ? -2.761 14.747 -1.050 1.00 0.00 ? 11 PRO A C 8 ATOM 10783 O O . PRO A 1 11 ? -2.316 13.629 -1.314 1.00 0.00 ? 11 PRO A O 8 ATOM 10784 C CB . PRO A 1 11 ? -1.719 16.463 -2.556 1.00 0.00 ? 11 PRO A CB 8 ATOM 10785 C CG . PRO A 1 11 ? -1.697 17.717 -1.751 1.00 0.00 ? 11 PRO A CG 8 ATOM 10786 C CD . PRO A 1 11 ? -3.133 18.139 -1.602 1.00 0.00 ? 11 PRO A CD 8 ATOM 10787 H HA . PRO A 1 11 ? -3.442 15.264 -3.013 1.00 0.00 ? 11 PRO A HA 8 ATOM 10788 H HB2 . PRO A 1 11 ? -0.879 15.826 -2.319 1.00 0.00 ? 11 PRO A HB2 8 ATOM 10789 H HB3 . PRO A 1 11 ? -1.731 16.674 -3.614 1.00 0.00 ? 11 PRO A HB3 8 ATOM 10790 H HG2 . PRO A 1 11 ? -1.261 17.524 -0.782 1.00 0.00 ? 11 PRO A HG2 8 ATOM 10791 H HG3 . PRO A 1 11 ? -1.135 18.477 -2.272 1.00 0.00 ? 11 PRO A HG3 8 ATOM 10792 H HD2 . PRO A 1 11 ? -3.292 18.602 -0.640 1.00 0.00 ? 11 PRO A HD2 8 ATOM 10793 H HD3 . PRO A 1 11 ? -3.412 18.813 -2.399 1.00 0.00 ? 11 PRO A HD3 8 ATOM 10794 N N . LEU A 1 12 ? -3.043 15.139 0.188 1.00 0.00 ? 12 LEU A N 8 ATOM 10795 C CA . LEU A 1 12 ? -2.840 14.259 1.334 1.00 0.00 ? 12 LEU A CA 8 ATOM 10796 C C . LEU A 1 12 ? -3.959 13.227 1.433 1.00 0.00 ? 12 LEU A C 8 ATOM 10797 O O . LEU A 1 12 ? -3.706 12.041 1.637 1.00 0.00 ? 12 LEU A O 8 ATOM 10798 C CB . LEU A 1 12 ? -2.770 15.078 2.624 1.00 0.00 ? 12 LEU A CB 8 ATOM 10799 C CG . LEU A 1 12 ? -1.451 15.805 2.887 1.00 0.00 ? 12 LEU A CG 8 ATOM 10800 C CD1 . LEU A 1 12 ? -1.626 16.851 3.977 1.00 0.00 ? 12 LEU A CD1 8 ATOM 10801 C CD2 . LEU A 1 12 ? -0.362 14.813 3.268 1.00 0.00 ? 12 LEU A CD2 8 ATOM 10802 H H . LEU A 1 12 ? -3.395 16.041 0.336 1.00 0.00 ? 12 LEU A H 8 ATOM 10803 H HA . LEU A 1 12 ? -1.902 13.743 1.193 1.00 0.00 ? 12 LEU A HA 8 ATOM 10804 H HB2 . LEU A 1 12 ? -3.554 15.818 2.589 1.00 0.00 ? 12 LEU A HB2 8 ATOM 10805 H HB3 . LEU A 1 12 ? -2.949 14.405 3.451 1.00 0.00 ? 12 LEU A HB3 8 ATOM 10806 H HG . LEU A 1 12 ? -1.141 16.313 1.984 1.00 0.00 ? 12 LEU A HG 8 ATOM 10807 H HD11 . LEU A 1 12 ? -1.021 16.587 4.831 1.00 0.00 ? 12 LEU A HD11 8 ATOM 10808 H HD12 . LEU A 1 12 ? -2.665 16.894 4.271 1.00 0.00 ? 12 LEU A HD12 8 ATOM 10809 H HD13 . LEU A 1 12 ? -1.319 17.817 3.602 1.00 0.00 ? 12 LEU A HD13 8 ATOM 10810 H HD21 . LEU A 1 12 ? 0.581 15.332 3.360 1.00 0.00 ? 12 LEU A HD21 8 ATOM 10811 H HD22 . LEU A 1 12 ? -0.281 14.055 2.502 1.00 0.00 ? 12 LEU A HD22 8 ATOM 10812 H HD23 . LEU A 1 12 ? -0.611 14.349 4.210 1.00 0.00 ? 12 LEU A HD23 8 ATOM 10813 N N . ASN A 1 13 ? -5.197 13.688 1.284 1.00 0.00 ? 13 ASN A N 8 ATOM 10814 C CA . ASN A 1 13 ? -6.355 12.804 1.355 1.00 0.00 ? 13 ASN A CA 8 ATOM 10815 C C . ASN A 1 13 ? -6.415 11.888 0.137 1.00 0.00 ? 13 ASN A C 8 ATOM 10816 O O . ASN A 1 13 ? -6.480 10.665 0.268 1.00 0.00 ? 13 ASN A O 8 ATOM 10817 C CB . ASN A 1 13 ? -7.642 13.624 1.456 1.00 0.00 ? 13 ASN A CB 8 ATOM 10818 C CG . ASN A 1 13 ? -8.872 12.818 1.083 1.00 0.00 ? 13 ASN A CG 8 ATOM 10819 O OD1 . ASN A 1 13 ? -9.417 12.965 -0.011 1.00 0.00 ? 13 ASN A OD1 8 ATOM 10820 N ND2 . ASN A 1 13 ? -9.315 11.959 1.995 1.00 0.00 ? 13 ASN A ND2 8 ATOM 10821 H H . ASN A 1 13 ? -5.335 14.645 1.124 1.00 0.00 ? 13 ASN A H 8 ATOM 10822 H HA . ASN A 1 13 ? -6.255 12.197 2.243 1.00 0.00 ? 13 ASN A HA 8 ATOM 10823 H HB2 . ASN A 1 13 ? -7.760 13.975 2.471 1.00 0.00 ? 13 ASN A HB2 8 ATOM 10824 H HB3 . ASN A 1 13 ? -7.575 14.472 0.791 1.00 0.00 ? 13 ASN A HB3 8 ATOM 10825 H HD21 . ASN A 1 13 ? -8.830 11.895 2.845 1.00 0.00 ? 13 ASN A HD21 8 ATOM 10826 H HD22 . ASN A 1 13 ? -10.107 11.425 1.780 1.00 0.00 ? 13 ASN A HD22 8 ATOM 10827 N N . LEU A 1 14 ? -6.394 12.488 -1.049 1.00 0.00 ? 14 LEU A N 8 ATOM 10828 C CA . LEU A 1 14 ? -6.446 11.727 -2.292 1.00 0.00 ? 14 LEU A CA 8 ATOM 10829 C C . LEU A 1 14 ? -5.618 10.450 -2.184 1.00 0.00 ? 14 LEU A C 8 ATOM 10830 O O . LEU A 1 14 ? -6.015 9.397 -2.682 1.00 0.00 ? 14 LEU A O 8 ATOM 10831 C CB . LEU A 1 14 ? -5.939 12.579 -3.457 1.00 0.00 ? 14 LEU A CB 8 ATOM 10832 C CG . LEU A 1 14 ? -6.949 13.554 -4.064 1.00 0.00 ? 14 LEU A CG 8 ATOM 10833 C CD1 . LEU A 1 14 ? -6.232 14.685 -4.785 1.00 0.00 ? 14 LEU A CD1 8 ATOM 10834 C CD2 . LEU A 1 14 ? -7.889 12.825 -5.013 1.00 0.00 ? 14 LEU A CD2 8 ATOM 10835 H H . LEU A 1 14 ? -6.341 13.465 -1.090 1.00 0.00 ? 14 LEU A H 8 ATOM 10836 H HA . LEU A 1 14 ? -7.476 11.459 -2.474 1.00 0.00 ? 14 LEU A HA 8 ATOM 10837 H HB2 . LEU A 1 14 ? -5.097 13.154 -3.104 1.00 0.00 ? 14 LEU A HB2 8 ATOM 10838 H HB3 . LEU A 1 14 ? -5.613 11.909 -4.239 1.00 0.00 ? 14 LEU A HB3 8 ATOM 10839 H HG . LEU A 1 14 ? -7.543 13.987 -3.271 1.00 0.00 ? 14 LEU A HG 8 ATOM 10840 H HD11 . LEU A 1 14 ? -5.486 14.274 -5.447 1.00 0.00 ? 14 LEU A HD11 8 ATOM 10841 H HD12 . LEU A 1 14 ? -5.755 15.329 -4.060 1.00 0.00 ? 14 LEU A HD12 8 ATOM 10842 H HD13 . LEU A 1 14 ? -6.948 15.257 -5.358 1.00 0.00 ? 14 LEU A HD13 8 ATOM 10843 H HD21 . LEU A 1 14 ? -8.474 12.106 -4.458 1.00 0.00 ? 14 LEU A HD21 8 ATOM 10844 H HD22 . LEU A 1 14 ? -7.311 12.312 -5.769 1.00 0.00 ? 14 LEU A HD22 8 ATOM 10845 H HD23 . LEU A 1 14 ? -8.548 13.538 -5.485 1.00 0.00 ? 14 LEU A HD23 8 ATOM 10846 N N . ALA A 1 15 ? -4.466 10.551 -1.528 1.00 0.00 ? 15 ALA A N 8 ATOM 10847 C CA . ALA A 1 15 ? -3.585 9.404 -1.351 1.00 0.00 ? 15 ALA A CA 8 ATOM 10848 C C . ALA A 1 15 ? -4.210 8.370 -0.420 1.00 0.00 ? 15 ALA A C 8 ATOM 10849 O O . ALA A 1 15 ? -4.111 7.166 -0.658 1.00 0.00 ? 15 ALA A O 8 ATOM 10850 C CB . ALA A 1 15 ? -2.235 9.854 -0.812 1.00 0.00 ? 15 ALA A CB 8 ATOM 10851 H H . ALA A 1 15 ? -4.204 11.418 -1.153 1.00 0.00 ? 15 ALA A H 8 ATOM 10852 H HA . ALA A 1 15 ? -3.426 8.952 -2.319 1.00 0.00 ? 15 ALA A HA 8 ATOM 10853 H HB1 . ALA A 1 15 ? -1.544 9.024 -0.837 1.00 0.00 ? 15 ALA A HB1 8 ATOM 10854 H HB2 . ALA A 1 15 ? -1.854 10.659 -1.423 1.00 0.00 ? 15 ALA A HB2 8 ATOM 10855 H HB3 . ALA A 1 15 ? -2.350 10.197 0.205 1.00 0.00 ? 15 ALA A HB3 8 ATOM 10856 N N . HIS A 1 16 ? -4.852 8.848 0.641 1.00 0.00 ? 16 HIS A N 8 ATOM 10857 C CA . HIS A 1 16 ? -5.493 7.964 1.608 1.00 0.00 ? 16 HIS A CA 8 ATOM 10858 C C . HIS A 1 16 ? -6.576 7.121 0.940 1.00 0.00 ? 16 HIS A C 8 ATOM 10859 O O . HIS A 1 16 ? -6.651 5.912 1.152 1.00 0.00 ? 16 HIS A O 8 ATOM 10860 C CB . HIS A 1 16 ? -6.098 8.778 2.753 1.00 0.00 ? 16 HIS A CB 8 ATOM 10861 C CG . HIS A 1 16 ? -5.158 9.792 3.328 1.00 0.00 ? 16 HIS A CG 8 ATOM 10862 N ND1 . HIS A 1 16 ? -5.582 10.883 4.057 1.00 0.00 ? 16 HIS A ND1 8 ATOM 10863 C CD2 . HIS A 1 16 ? -3.808 9.875 3.280 1.00 0.00 ? 16 HIS A CD2 8 ATOM 10864 C CE1 . HIS A 1 16 ? -4.533 11.594 4.431 1.00 0.00 ? 16 HIS A CE1 8 ATOM 10865 N NE2 . HIS A 1 16 ? -3.444 11.004 3.973 1.00 0.00 ? 16 HIS A NE2 8 ATOM 10866 H H . HIS A 1 16 ? -4.896 9.817 0.777 1.00 0.00 ? 16 HIS A H 8 ATOM 10867 H HA . HIS A 1 16 ? -4.737 7.305 2.007 1.00 0.00 ? 16 HIS A HA 8 ATOM 10868 H HB2 . HIS A 1 16 ? -6.970 9.303 2.391 1.00 0.00 ? 16 HIS A HB2 8 ATOM 10869 H HB3 . HIS A 1 16 ? -6.391 8.107 3.547 1.00 0.00 ? 16 HIS A HB3 8 ATOM 10870 H HD1 . HIS A 1 16 ? -6.513 11.104 4.267 1.00 0.00 ? 16 HIS A HD1 8 ATOM 10871 H HD2 . HIS A 1 16 ? -3.139 9.183 2.788 1.00 0.00 ? 16 HIS A HD2 8 ATOM 10872 H HE1 . HIS A 1 16 ? -4.561 12.503 5.013 1.00 0.00 ? 16 HIS A HE1 8 ATOM 10873 H HE2 . HIS A 1 16 ? -2.537 11.368 4.034 1.00 0.00 ? 16 HIS A HE2 8 ATOM 10874 N N . GLN A 1 17 ? -7.410 7.770 0.135 1.00 0.00 ? 17 GLN A N 8 ATOM 10875 C CA . GLN A 1 17 ? -8.489 7.080 -0.563 1.00 0.00 ? 17 GLN A CA 8 ATOM 10876 C C . GLN A 1 17 ? -8.042 5.696 -1.023 1.00 0.00 ? 17 GLN A C 8 ATOM 10877 O O . GLN A 1 17 ? -8.833 4.753 -1.041 1.00 0.00 ? 17 GLN A O 8 ATOM 10878 C CB . GLN A 1 17 ? -8.957 7.903 -1.764 1.00 0.00 ? 17 GLN A CB 8 ATOM 10879 C CG . GLN A 1 17 ? -9.648 9.202 -1.379 1.00 0.00 ? 17 GLN A CG 8 ATOM 10880 C CD . GLN A 1 17 ? -10.090 10.007 -2.585 1.00 0.00 ? 17 GLN A CD 8 ATOM 10881 O OE1 . GLN A 1 17 ? -10.625 9.459 -3.550 1.00 0.00 ? 17 GLN A OE1 8 ATOM 10882 N NE2 . GLN A 1 17 ? -9.870 11.316 -2.537 1.00 0.00 ? 17 GLN A NE2 8 ATOM 10883 H H . GLN A 1 17 ? -7.298 8.735 0.007 1.00 0.00 ? 17 GLN A H 8 ATOM 10884 H HA . GLN A 1 17 ? -9.311 6.968 0.128 1.00 0.00 ? 17 GLN A HA 8 ATOM 10885 H HB2 . GLN A 1 17 ? -8.101 8.143 -2.376 1.00 0.00 ? 17 GLN A HB2 8 ATOM 10886 H HB3 . GLN A 1 17 ? -9.650 7.311 -2.343 1.00 0.00 ? 17 GLN A HB3 8 ATOM 10887 H HG2 . GLN A 1 17 ? -10.517 8.970 -0.782 1.00 0.00 ? 17 GLN A HG2 8 ATOM 10888 H HG3 . GLN A 1 17 ? -8.962 9.800 -0.797 1.00 0.00 ? 17 GLN A HG3 8 ATOM 10889 H HE21 . GLN A 1 17 ? -9.438 11.683 -1.737 1.00 0.00 ? 17 GLN A HE21 8 ATOM 10890 H HE22 . GLN A 1 17 ? -10.145 11.860 -3.303 1.00 0.00 ? 17 GLN A HE22 8 ATOM 10891 N N . GLN A 1 18 ? -6.771 5.583 -1.394 1.00 0.00 ? 18 GLN A N 8 ATOM 10892 C CA . GLN A 1 18 ? -6.220 4.314 -1.855 1.00 0.00 ? 18 GLN A CA 8 ATOM 10893 C C . GLN A 1 18 ? -5.620 3.527 -0.694 1.00 0.00 ? 18 GLN A C 8 ATOM 10894 O O . GLN A 1 18 ? -5.867 2.330 -0.550 1.00 0.00 ? 18 GLN A O 8 ATOM 10895 C CB . GLN A 1 18 ? -5.156 4.556 -2.927 1.00 0.00 ? 18 GLN A CB 8 ATOM 10896 C CG . GLN A 1 18 ? -5.663 5.352 -4.119 1.00 0.00 ? 18 GLN A CG 8 ATOM 10897 C CD . GLN A 1 18 ? -6.258 4.471 -5.199 1.00 0.00 ? 18 GLN A CD 8 ATOM 10898 O OE1 . GLN A 1 18 ? -7.265 3.796 -4.981 1.00 0.00 ? 18 GLN A OE1 8 ATOM 10899 N NE2 . GLN A 1 18 ? -5.638 4.473 -6.373 1.00 0.00 ? 18 GLN A NE2 8 ATOM 10900 H H . GLN A 1 18 ? -6.190 6.371 -1.356 1.00 0.00 ? 18 GLN A H 8 ATOM 10901 H HA . GLN A 1 18 ? -7.027 3.740 -2.284 1.00 0.00 ? 18 GLN A HA 8 ATOM 10902 H HB2 . GLN A 1 18 ? -4.332 5.095 -2.485 1.00 0.00 ? 18 GLN A HB2 8 ATOM 10903 H HB3 . GLN A 1 18 ? -4.800 3.601 -3.285 1.00 0.00 ? 18 GLN A HB3 8 ATOM 10904 H HG2 . GLN A 1 18 ? -6.423 6.041 -3.779 1.00 0.00 ? 18 GLN A HG2 8 ATOM 10905 H HG3 . GLN A 1 18 ? -4.839 5.907 -4.541 1.00 0.00 ? 18 GLN A HG3 8 ATOM 10906 H HE21 . GLN A 1 18 ? -4.841 5.034 -6.474 1.00 0.00 ? 18 GLN A HE21 8 ATOM 10907 H HE22 . GLN A 1 18 ? -6.001 3.912 -7.089 1.00 0.00 ? 18 GLN A HE22 8 ATOM 10908 N N . SER A 1 19 ? -4.831 4.208 0.130 1.00 0.00 ? 19 SER A N 8 ATOM 10909 C CA . SER A 1 19 ? -4.192 3.572 1.276 1.00 0.00 ? 19 SER A CA 8 ATOM 10910 C C . SER A 1 19 ? -5.126 2.554 1.923 1.00 0.00 ? 19 SER A C 8 ATOM 10911 O O . SER A 1 19 ? -4.746 1.407 2.158 1.00 0.00 ? 19 SER A O 8 ATOM 10912 C CB . SER A 1 19 ? -3.775 4.625 2.305 1.00 0.00 ? 19 SER A CB 8 ATOM 10913 O OG . SER A 1 19 ? -4.815 4.868 3.236 1.00 0.00 ? 19 SER A OG 8 ATOM 10914 H H . SER A 1 19 ? -4.672 5.161 -0.038 1.00 0.00 ? 19 SER A H 8 ATOM 10915 H HA . SER A 1 19 ? -3.310 3.059 0.921 1.00 0.00 ? 19 SER A HA 8 ATOM 10916 H HB2 . SER A 1 19 ? -2.904 4.277 2.839 1.00 0.00 ? 19 SER A HB2 8 ATOM 10917 H HB3 . SER A 1 19 ? -3.540 5.548 1.795 1.00 0.00 ? 19 SER A HB3 8 ATOM 10918 H HG . SER A 1 19 ? -4.990 4.068 3.737 1.00 0.00 ? 19 SER A HG 8 ATOM 10919 N N . ARG A 1 20 ? -6.351 2.983 2.209 1.00 0.00 ? 20 ARG A N 8 ATOM 10920 C CA . ARG A 1 20 ? -7.341 2.111 2.830 1.00 0.00 ? 20 ARG A CA 8 ATOM 10921 C C . ARG A 1 20 ? -7.508 0.823 2.031 1.00 0.00 ? 20 ARG A C 8 ATOM 10922 O O . ARG A 1 20 ? -7.601 -0.265 2.600 1.00 0.00 ? 20 ARG A O 8 ATOM 10923 C CB . ARG A 1 20 ? -8.686 2.831 2.945 1.00 0.00 ? 20 ARG A CB 8 ATOM 10924 C CG . ARG A 1 20 ? -9.377 3.047 1.609 1.00 0.00 ? 20 ARG A CG 8 ATOM 10925 C CD . ARG A 1 20 ? -10.521 4.042 1.728 1.00 0.00 ? 20 ARG A CD 8 ATOM 10926 N NE . ARG A 1 20 ? -11.405 3.727 2.847 1.00 0.00 ? 20 ARG A NE 8 ATOM 10927 C CZ . ARG A 1 20 ? -12.220 4.612 3.411 1.00 0.00 ? 20 ARG A CZ 8 ATOM 10928 N NH1 . ARG A 1 20 ? -12.262 5.859 2.962 1.00 0.00 ? 20 ARG A NH1 8 ATOM 10929 N NH2 . ARG A 1 20 ? -12.995 4.250 4.425 1.00 0.00 ? 20 ARG A NH2 8 ATOM 10930 H H . ARG A 1 20 ? -6.595 3.909 1.998 1.00 0.00 ? 20 ARG A H 8 ATOM 10931 H HA . ARG A 1 20 ? -6.989 1.864 3.821 1.00 0.00 ? 20 ARG A HA 8 ATOM 10932 H HB2 . ARG A 1 20 ? -9.341 2.247 3.574 1.00 0.00 ? 20 ARG A HB2 8 ATOM 10933 H HB3 . ARG A 1 20 ? -8.526 3.796 3.403 1.00 0.00 ? 20 ARG A HB3 8 ATOM 10934 H HG2 . ARG A 1 20 ? -8.657 3.426 0.899 1.00 0.00 ? 20 ARG A HG2 8 ATOM 10935 H HG3 . ARG A 1 20 ? -9.767 2.103 1.260 1.00 0.00 ? 20 ARG A HG3 8 ATOM 10936 H HD2 . ARG A 1 20 ? -10.109 5.029 1.874 1.00 0.00 ? 20 ARG A HD2 8 ATOM 10937 H HD3 . ARG A 1 20 ? -11.093 4.022 0.812 1.00 0.00 ? 20 ARG A HD3 8 ATOM 10938 H HE . ARG A 1 20 ? -11.390 2.812 3.194 1.00 0.00 ? 20 ARG A HE 8 ATOM 10939 H HH11 . ARG A 1 20 ? -11.680 6.135 2.197 1.00 0.00 ? 20 ARG A HH11 8 ATOM 10940 H HH12 . ARG A 1 20 ? -12.877 6.523 3.388 1.00 0.00 ? 20 ARG A HH12 8 ATOM 10941 H HH21 . ARG A 1 20 ? -12.966 3.311 4.766 1.00 0.00 ? 20 ARG A HH21 8 ATOM 10942 H HH22 . ARG A 1 20 ? -13.607 4.917 4.849 1.00 0.00 ? 20 ARG A HH22 8 ATOM 10943 N N . ARG A 1 21 ? -7.546 0.953 0.709 1.00 0.00 ? 21 ARG A N 8 ATOM 10944 C CA . ARG A 1 21 ? -7.704 -0.200 -0.169 1.00 0.00 ? 21 ARG A CA 8 ATOM 10945 C C . ARG A 1 21 ? -6.633 -1.249 0.114 1.00 0.00 ? 21 ARG A C 8 ATOM 10946 O O . ARG A 1 21 ? -6.930 -2.437 0.239 1.00 0.00 ? 21 ARG A O 8 ATOM 10947 C CB . ARG A 1 21 ? -7.634 0.234 -1.634 1.00 0.00 ? 21 ARG A CB 8 ATOM 10948 C CG . ARG A 1 21 ? -7.917 -0.891 -2.616 1.00 0.00 ? 21 ARG A CG 8 ATOM 10949 C CD . ARG A 1 21 ? -7.891 -0.395 -4.054 1.00 0.00 ? 21 ARG A CD 8 ATOM 10950 N NE . ARG A 1 21 ? -7.705 -1.487 -5.006 1.00 0.00 ? 21 ARG A NE 8 ATOM 10951 C CZ . ARG A 1 21 ? -8.076 -1.422 -6.280 1.00 0.00 ? 21 ARG A CZ 8 ATOM 10952 N NH1 . ARG A 1 21 ? -8.650 -0.324 -6.751 1.00 0.00 ? 21 ARG A NH1 8 ATOM 10953 N NH2 . ARG A 1 21 ? -7.873 -2.457 -7.085 1.00 0.00 ? 21 ARG A NH2 8 ATOM 10954 H H . ARG A 1 21 ? -7.467 1.847 0.314 1.00 0.00 ? 21 ARG A H 8 ATOM 10955 H HA . ARG A 1 21 ? -8.675 -0.633 0.024 1.00 0.00 ? 21 ARG A HA 8 ATOM 10956 H HB2 . ARG A 1 21 ? -8.359 1.017 -1.800 1.00 0.00 ? 21 ARG A HB2 8 ATOM 10957 H HB3 . ARG A 1 21 ? -6.646 0.619 -1.836 1.00 0.00 ? 21 ARG A HB3 8 ATOM 10958 H HG2 . ARG A 1 21 ? -7.165 -1.658 -2.498 1.00 0.00 ? 21 ARG A HG2 8 ATOM 10959 H HG3 . ARG A 1 21 ? -8.892 -1.305 -2.404 1.00 0.00 ? 21 ARG A HG3 8 ATOM 10960 H HD2 . ARG A 1 21 ? -8.827 0.099 -4.267 1.00 0.00 ? 21 ARG A HD2 8 ATOM 10961 H HD3 . ARG A 1 21 ? -7.079 0.308 -4.163 1.00 0.00 ? 21 ARG A HD3 8 ATOM 10962 H HE . ARG A 1 21 ? -7.282 -2.308 -4.678 1.00 0.00 ? 21 ARG A HE 8 ATOM 10963 H HH11 . ARG A 1 21 ? -8.804 0.458 -6.147 1.00 0.00 ? 21 ARG A HH11 8 ATOM 10964 H HH12 . ARG A 1 21 ? -8.928 -0.278 -7.711 1.00 0.00 ? 21 ARG A HH12 8 ATOM 10965 H HH21 . ARG A 1 21 ? -7.440 -3.287 -6.733 1.00 0.00 ? 21 ARG A HH21 8 ATOM 10966 H HH22 . ARG A 1 21 ? -8.152 -2.408 -8.043 1.00 0.00 ? 21 ARG A HH22 8 ATOM 10967 N N . ALA A 1 22 ? -5.385 -0.801 0.213 1.00 0.00 ? 22 ALA A N 8 ATOM 10968 C CA . ALA A 1 22 ? -4.270 -1.701 0.483 1.00 0.00 ? 22 ALA A CA 8 ATOM 10969 C C . ALA A 1 22 ? -4.593 -2.647 1.634 1.00 0.00 ? 22 ALA A C 8 ATOM 10970 O O . ALA A 1 22 ? -4.243 -3.826 1.598 1.00 0.00 ? 22 ALA A O 8 ATOM 10971 C CB . ALA A 1 22 ? -3.011 -0.903 0.790 1.00 0.00 ? 22 ALA A CB 8 ATOM 10972 H H . ALA A 1 22 ? -5.211 0.157 0.104 1.00 0.00 ? 22 ALA A H 8 ATOM 10973 H HA . ALA A 1 22 ? -4.089 -2.284 -0.409 1.00 0.00 ? 22 ALA A HA 8 ATOM 10974 H HB1 . ALA A 1 22 ? -2.288 -1.545 1.270 1.00 0.00 ? 22 ALA A HB1 8 ATOM 10975 H HB2 . ALA A 1 22 ? -2.597 -0.517 -0.130 1.00 0.00 ? 22 ALA A HB2 8 ATOM 10976 H HB3 . ALA A 1 22 ? -3.257 -0.083 1.447 1.00 0.00 ? 22 ALA A HB3 8 ATOM 10977 N N . ASP A 1 23 ? -5.263 -2.122 2.655 1.00 0.00 ? 23 ASP A N 8 ATOM 10978 C CA . ASP A 1 23 ? -5.634 -2.920 3.817 1.00 0.00 ? 23 ASP A CA 8 ATOM 10979 C C . ASP A 1 23 ? -6.637 -4.004 3.435 1.00 0.00 ? 23 ASP A C 8 ATOM 10980 O O . ASP A 1 23 ? -6.342 -5.196 3.525 1.00 0.00 ? 23 ASP A O 8 ATOM 10981 C CB . ASP A 1 23 ? -6.222 -2.026 4.910 1.00 0.00 ? 23 ASP A CB 8 ATOM 10982 C CG . ASP A 1 23 ? -6.878 -2.823 6.020 1.00 0.00 ? 23 ASP A CG 8 ATOM 10983 O OD1 . ASP A 1 23 ? -7.858 -3.542 5.734 1.00 0.00 ? 23 ASP A OD1 8 ATOM 10984 O OD2 . ASP A 1 23 ? -6.412 -2.728 7.175 1.00 0.00 ? 23 ASP A OD2 8 ATOM 10985 H H . ASP A 1 23 ? -5.514 -1.175 2.625 1.00 0.00 ? 23 ASP A H 8 ATOM 10986 H HA . ASP A 1 23 ? -4.739 -3.392 4.194 1.00 0.00 ? 23 ASP A HA 8 ATOM 10987 H HB2 . ASP A 1 23 ? -5.432 -1.427 5.340 1.00 0.00 ? 23 ASP A HB2 8 ATOM 10988 H HB3 . ASP A 1 23 ? -6.964 -1.374 4.472 1.00 0.00 ? 23 ASP A HB3 8 ATOM 10989 N N . ARG A 1 24 ? -7.823 -3.581 3.009 1.00 0.00 ? 24 ARG A N 8 ATOM 10990 C CA . ARG A 1 24 ? -8.870 -4.516 2.615 1.00 0.00 ? 24 ARG A CA 8 ATOM 10991 C C . ARG A 1 24 ? -8.301 -5.638 1.751 1.00 0.00 ? 24 ARG A C 8 ATOM 10992 O O . ARG A 1 24 ? -8.879 -6.722 1.662 1.00 0.00 ? 24 ARG A O 8 ATOM 10993 C CB . ARG A 1 24 ? -9.977 -3.784 1.855 1.00 0.00 ? 24 ARG A CB 8 ATOM 10994 C CG . ARG A 1 24 ? -10.958 -3.055 2.759 1.00 0.00 ? 24 ARG A CG 8 ATOM 10995 C CD . ARG A 1 24 ? -11.915 -4.022 3.437 1.00 0.00 ? 24 ARG A CD 8 ATOM 10996 N NE . ARG A 1 24 ? -12.777 -4.703 2.475 1.00 0.00 ? 24 ARG A NE 8 ATOM 10997 C CZ . ARG A 1 24 ? -12.461 -5.853 1.891 1.00 0.00 ? 24 ARG A CZ 8 ATOM 10998 N NH1 . ARG A 1 24 ? -11.309 -6.448 2.169 1.00 0.00 ? 24 ARG A NH1 8 ATOM 10999 N NH2 . ARG A 1 24 ? -13.299 -6.411 1.026 1.00 0.00 ? 24 ARG A NH2 8 ATOM 11000 H H . ARG A 1 24 ? -7.998 -2.619 2.959 1.00 0.00 ? 24 ARG A H 8 ATOM 11001 H HA . ARG A 1 24 ? -9.286 -4.946 3.514 1.00 0.00 ? 24 ARG A HA 8 ATOM 11002 H HB2 . ARG A 1 24 ? -9.525 -3.059 1.193 1.00 0.00 ? 24 ARG A HB2 8 ATOM 11003 H HB3 . ARG A 1 24 ? -10.529 -4.501 1.267 1.00 0.00 ? 24 ARG A HB3 8 ATOM 11004 H HG2 . ARG A 1 24 ? -10.405 -2.521 3.518 1.00 0.00 ? 24 ARG A HG2 8 ATOM 11005 H HG3 . ARG A 1 24 ? -11.527 -2.354 2.166 1.00 0.00 ? 24 ARG A HG3 8 ATOM 11006 H HD2 . ARG A 1 24 ? -11.339 -4.760 3.975 1.00 0.00 ? 24 ARG A HD2 8 ATOM 11007 H HD3 . ARG A 1 24 ? -12.531 -3.470 4.132 1.00 0.00 ? 24 ARG A HD3 8 ATOM 11008 H HE . ARG A 1 24 ? -13.634 -4.281 2.255 1.00 0.00 ? 24 ARG A HE 8 ATOM 11009 H HH11 . ARG A 1 24 ? -10.677 -6.030 2.821 1.00 0.00 ? 24 ARG A HH11 8 ATOM 11010 H HH12 . ARG A 1 24 ? -11.074 -7.314 1.728 1.00 0.00 ? 24 ARG A HH12 8 ATOM 11011 H HH21 . ARG A 1 24 ? -14.168 -5.966 0.814 1.00 0.00 ? 24 ARG A HH21 8 ATOM 11012 H HH22 . ARG A 1 24 ? -13.060 -7.277 0.586 1.00 0.00 ? 24 ARG A HH22 8 ATOM 11013 N N . LEU A 1 25 ? -7.166 -5.370 1.116 1.00 0.00 ? 25 LEU A N 8 ATOM 11014 C CA . LEU A 1 25 ? -6.518 -6.356 0.258 1.00 0.00 ? 25 LEU A CA 8 ATOM 11015 C C . LEU A 1 25 ? -5.595 -7.260 1.068 1.00 0.00 ? 25 LEU A C 8 ATOM 11016 O O . LEU A 1 25 ? -5.524 -8.467 0.831 1.00 0.00 ? 25 LEU A O 8 ATOM 11017 C CB . LEU A 1 25 ? -5.725 -5.657 -0.848 1.00 0.00 ? 25 LEU A CB 8 ATOM 11018 C CG . LEU A 1 25 ? -6.552 -4.972 -1.936 1.00 0.00 ? 25 LEU A CG 8 ATOM 11019 C CD1 . LEU A 1 25 ? -5.710 -3.950 -2.683 1.00 0.00 ? 25 LEU A CD1 8 ATOM 11020 C CD2 . LEU A 1 25 ? -7.122 -6.003 -2.901 1.00 0.00 ? 25 LEU A CD2 8 ATOM 11021 H H . LEU A 1 25 ? -6.752 -4.489 1.225 1.00 0.00 ? 25 LEU A H 8 ATOM 11022 H HA . LEU A 1 25 ? -7.291 -6.962 -0.192 1.00 0.00 ? 25 LEU A HA 8 ATOM 11023 H HB2 . LEU A 1 25 ? -5.103 -4.907 -0.385 1.00 0.00 ? 25 LEU A HB2 8 ATOM 11024 H HB3 . LEU A 1 25 ? -5.099 -6.399 -1.324 1.00 0.00 ? 25 LEU A HB3 8 ATOM 11025 H HG . LEU A 1 25 ? -7.380 -4.450 -1.476 1.00 0.00 ? 25 LEU A HG 8 ATOM 11026 H HD11 . LEU A 1 25 ? -4.789 -4.410 -3.008 1.00 0.00 ? 25 LEU A HD11 8 ATOM 11027 H HD12 . LEU A 1 25 ? -5.486 -3.121 -2.028 1.00 0.00 ? 25 LEU A HD12 8 ATOM 11028 H HD13 . LEU A 1 25 ? -6.257 -3.591 -3.543 1.00 0.00 ? 25 LEU A HD13 8 ATOM 11029 H HD21 . LEU A 1 25 ? -7.981 -5.585 -3.406 1.00 0.00 ? 25 LEU A HD21 8 ATOM 11030 H HD22 . LEU A 1 25 ? -7.421 -6.884 -2.351 1.00 0.00 ? 25 LEU A HD22 8 ATOM 11031 H HD23 . LEU A 1 25 ? -6.370 -6.269 -3.628 1.00 0.00 ? 25 LEU A HD23 8 ATOM 11032 N N . LEU A 1 26 ? -4.889 -6.669 2.027 1.00 0.00 ? 26 LEU A N 8 ATOM 11033 C CA . LEU A 1 26 ? -3.971 -7.422 2.875 1.00 0.00 ? 26 LEU A CA 8 ATOM 11034 C C . LEU A 1 26 ? -4.700 -8.546 3.604 1.00 0.00 ? 26 LEU A C 8 ATOM 11035 O O . LEU A 1 26 ? -4.157 -9.635 3.786 1.00 0.00 ? 26 LEU A O 8 ATOM 11036 C CB . LEU A 1 26 ? -3.303 -6.490 3.888 1.00 0.00 ? 26 LEU A CB 8 ATOM 11037 C CG . LEU A 1 26 ? -2.870 -7.133 5.206 1.00 0.00 ? 26 LEU A CG 8 ATOM 11038 C CD1 . LEU A 1 26 ? -1.713 -8.093 4.978 1.00 0.00 ? 26 LEU A CD1 8 ATOM 11039 C CD2 . LEU A 1 26 ? -2.487 -6.064 6.220 1.00 0.00 ? 26 LEU A CD2 8 ATOM 11040 H H . LEU A 1 26 ? -4.988 -5.705 2.168 1.00 0.00 ? 26 LEU A H 8 ATOM 11041 H HA . LEU A 1 26 ? -3.212 -7.853 2.240 1.00 0.00 ? 26 LEU A HA 8 ATOM 11042 H HB2 . LEU A 1 26 ? -2.426 -6.070 3.422 1.00 0.00 ? 26 LEU A HB2 8 ATOM 11043 H HB3 . LEU A 1 26 ? -4.001 -5.698 4.118 1.00 0.00 ? 26 LEU A HB3 8 ATOM 11044 H HG . LEU A 1 26 ? -3.697 -7.699 5.613 1.00 0.00 ? 26 LEU A HG 8 ATOM 11045 H HD11 . LEU A 1 26 ? -0.910 -7.576 4.476 1.00 0.00 ? 26 LEU A HD11 8 ATOM 11046 H HD12 . LEU A 1 26 ? -2.047 -8.919 4.367 1.00 0.00 ? 26 LEU A HD12 8 ATOM 11047 H HD13 . LEU A 1 26 ? -1.363 -8.467 5.929 1.00 0.00 ? 26 LEU A HD13 8 ATOM 11048 H HD21 . LEU A 1 26 ? -2.793 -6.378 7.207 1.00 0.00 ? 26 LEU A HD21 8 ATOM 11049 H HD22 . LEU A 1 26 ? -2.979 -5.136 5.968 1.00 0.00 ? 26 LEU A HD22 8 ATOM 11050 H HD23 . LEU A 1 26 ? -1.417 -5.921 6.204 1.00 0.00 ? 26 LEU A HD23 8 ATOM 11051 N N . ALA A 1 27 ? -5.934 -8.274 4.017 1.00 0.00 ? 27 ALA A N 8 ATOM 11052 C CA . ALA A 1 27 ? -6.739 -9.264 4.721 1.00 0.00 ? 27 ALA A CA 8 ATOM 11053 C C . ALA A 1 27 ? -7.077 -10.443 3.815 1.00 0.00 ? 27 ALA A C 8 ATOM 11054 O O . ALA A 1 27 ? -7.204 -11.576 4.277 1.00 0.00 ? 27 ALA A O 8 ATOM 11055 C CB . ALA A 1 27 ? -8.011 -8.625 5.257 1.00 0.00 ? 27 ALA A CB 8 ATOM 11056 H H . ALA A 1 27 ? -6.312 -7.388 3.842 1.00 0.00 ? 27 ALA A H 8 ATOM 11057 H HA . ALA A 1 27 ? -6.164 -9.624 5.563 1.00 0.00 ? 27 ALA A HA 8 ATOM 11058 H HB1 . ALA A 1 27 ? -7.889 -8.407 6.308 1.00 0.00 ? 27 ALA A HB1 8 ATOM 11059 H HB2 . ALA A 1 27 ? -8.208 -7.710 4.719 1.00 0.00 ? 27 ALA A HB2 8 ATOM 11060 H HB3 . ALA A 1 27 ? -8.839 -9.306 5.124 1.00 0.00 ? 27 ALA A HB3 8 ATOM 11061 N N . ALA A 1 28 ? -7.222 -10.167 2.523 1.00 0.00 ? 28 ALA A N 8 ATOM 11062 C CA . ALA A 1 28 ? -7.544 -11.205 1.552 1.00 0.00 ? 28 ALA A CA 8 ATOM 11063 C C . ALA A 1 28 ? -6.279 -11.858 1.006 1.00 0.00 ? 28 ALA A C 8 ATOM 11064 O O . ALA A 1 28 ? -6.342 -12.715 0.125 1.00 0.00 ? 28 ALA A O 8 ATOM 11065 C CB . ALA A 1 28 ? -8.374 -10.626 0.416 1.00 0.00 ? 28 ALA A CB 8 ATOM 11066 H H . ALA A 1 28 ? -7.108 -9.244 2.216 1.00 0.00 ? 28 ALA A H 8 ATOM 11067 H HA . ALA A 1 28 ? -8.139 -11.957 2.052 1.00 0.00 ? 28 ALA A HA 8 ATOM 11068 H HB1 . ALA A 1 28 ? -7.716 -10.207 -0.332 1.00 0.00 ? 28 ALA A HB1 8 ATOM 11069 H HB2 . ALA A 1 28 ? -8.972 -11.408 -0.028 1.00 0.00 ? 28 ALA A HB2 8 ATOM 11070 H HB3 . ALA A 1 28 ? -9.021 -9.852 0.801 1.00 0.00 ? 28 ALA A HB3 8 ATOM 11071 N N . GLY A 1 29 ? -5.131 -11.447 1.534 1.00 0.00 ? 29 GLY A N 8 ATOM 11072 C CA . GLY A 1 29 ? -3.867 -12.002 1.087 1.00 0.00 ? 29 GLY A CA 8 ATOM 11073 C C . GLY A 1 29 ? -3.435 -11.450 -0.258 1.00 0.00 ? 29 GLY A C 8 ATOM 11074 O O . GLY A 1 29 ? -2.501 -11.961 -0.877 1.00 0.00 ? 29 GLY A O 8 ATOM 11075 H H . GLY A 1 29 ? -5.142 -10.760 2.234 1.00 0.00 ? 29 GLY A H 8 ATOM 11076 H HA2 . GLY A 1 29 ? -3.107 -11.774 1.819 1.00 0.00 ? 29 GLY A HA2 8 ATOM 11077 H HA3 . GLY A 1 29 ? -3.966 -13.074 1.007 1.00 0.00 ? 29 GLY A HA3 8 ATOM 11078 N N . LYS A 1 30 ? -4.116 -10.404 -0.712 1.00 0.00 ? 30 LYS A N 8 ATOM 11079 C CA . LYS A 1 30 ? -3.799 -9.781 -1.992 1.00 0.00 ? 30 LYS A CA 8 ATOM 11080 C C . LYS A 1 30 ? -2.638 -8.802 -1.848 1.00 0.00 ? 30 LYS A C 8 ATOM 11081 O O . LYS A 1 30 ? -2.666 -7.704 -2.405 1.00 0.00 ? 30 LYS A O 8 ATOM 11082 C CB . LYS A 1 30 ? -5.026 -9.054 -2.547 1.00 0.00 ? 30 LYS A CB 8 ATOM 11083 C CG . LYS A 1 30 ? -6.172 -9.984 -2.908 1.00 0.00 ? 30 LYS A CG 8 ATOM 11084 C CD . LYS A 1 30 ? -6.075 -10.455 -4.349 1.00 0.00 ? 30 LYS A CD 8 ATOM 11085 C CE . LYS A 1 30 ? -7.443 -10.809 -4.913 1.00 0.00 ? 30 LYS A CE 8 ATOM 11086 N NZ . LYS A 1 30 ? -7.796 -12.233 -4.660 1.00 0.00 ? 30 LYS A NZ 8 ATOM 11087 H H . LYS A 1 30 ? -4.850 -10.040 -0.173 1.00 0.00 ? 30 LYS A H 8 ATOM 11088 H HA . LYS A 1 30 ? -3.513 -10.562 -2.679 1.00 0.00 ? 30 LYS A HA 8 ATOM 11089 H HB2 . LYS A 1 30 ? -5.379 -8.352 -1.807 1.00 0.00 ? 30 LYS A HB2 8 ATOM 11090 H HB3 . LYS A 1 30 ? -4.737 -8.512 -3.436 1.00 0.00 ? 30 LYS A HB3 8 ATOM 11091 H HG2 . LYS A 1 30 ? -6.144 -10.845 -2.256 1.00 0.00 ? 30 LYS A HG2 8 ATOM 11092 H HG3 . LYS A 1 30 ? -7.107 -9.458 -2.772 1.00 0.00 ? 30 LYS A HG3 8 ATOM 11093 H HD2 . LYS A 1 30 ? -5.644 -9.667 -4.948 1.00 0.00 ? 30 LYS A HD2 8 ATOM 11094 H HD3 . LYS A 1 30 ? -5.441 -11.330 -4.391 1.00 0.00 ? 30 LYS A HD3 8 ATOM 11095 H HE2 . LYS A 1 30 ? -8.184 -10.175 -4.449 1.00 0.00 ? 30 LYS A HE2 8 ATOM 11096 H HE3 . LYS A 1 30 ? -7.435 -10.632 -5.979 1.00 0.00 ? 30 LYS A HE3 8 ATOM 11097 H HZ1 . LYS A 1 30 ? -6.941 -12.824 -4.694 1.00 0.00 ? 30 LYS A HZ1 8 ATOM 11098 H HZ2 . LYS A 1 30 ? -8.465 -12.569 -5.381 1.00 0.00 ? 30 LYS A HZ2 8 ATOM 11099 H HZ3 . LYS A 1 30 ? -8.236 -12.331 -3.722 1.00 0.00 ? 30 LYS A HZ3 8 ATOM 11100 N N . TYR A 1 31 ? -1.618 -9.208 -1.100 1.00 0.00 ? 31 TYR A N 8 ATOM 11101 C CA . TYR A 1 31 ? -0.447 -8.366 -0.883 1.00 0.00 ? 31 TYR A CA 8 ATOM 11102 C C . TYR A 1 31 ? -0.098 -7.582 -2.144 1.00 0.00 ? 31 TYR A C 8 ATOM 11103 O O . TYR A 1 31 ? -0.092 -6.352 -2.140 1.00 0.00 ? 31 TYR A O 8 ATOM 11104 C CB . TYR A 1 31 ? 0.747 -9.219 -0.452 1.00 0.00 ? 31 TYR A CB 8 ATOM 11105 C CG . TYR A 1 31 ? 0.485 -10.048 0.785 1.00 0.00 ? 31 TYR A CG 8 ATOM 11106 C CD1 . TYR A 1 31 ? 0.749 -9.543 2.052 1.00 0.00 ? 31 TYR A CD1 8 ATOM 11107 C CD2 . TYR A 1 31 ? -0.025 -11.336 0.687 1.00 0.00 ? 31 TYR A CD2 8 ATOM 11108 C CE1 . TYR A 1 31 ? 0.512 -10.296 3.185 1.00 0.00 ? 31 TYR A CE1 8 ATOM 11109 C CE2 . TYR A 1 31 ? -0.267 -12.097 1.815 1.00 0.00 ? 31 TYR A CE2 8 ATOM 11110 C CZ . TYR A 1 31 ? 0.004 -11.572 3.062 1.00 0.00 ? 31 TYR A CZ 8 ATOM 11111 O OH . TYR A 1 31 ? -0.234 -12.327 4.187 1.00 0.00 ? 31 TYR A OH 8 ATOM 11112 H H . TYR A 1 31 ? -1.653 -10.094 -0.683 1.00 0.00 ? 31 TYR A H 8 ATOM 11113 H HA . TYR A 1 31 ? -0.682 -7.669 -0.092 1.00 0.00 ? 31 TYR A HA 8 ATOM 11114 H HB2 . TYR A 1 31 ? 1.007 -9.894 -1.254 1.00 0.00 ? 31 TYR A HB2 8 ATOM 11115 H HB3 . TYR A 1 31 ? 1.587 -8.572 -0.247 1.00 0.00 ? 31 TYR A HB3 8 ATOM 11116 H HD1 . TYR A 1 31 ? 1.148 -8.543 2.146 1.00 0.00 ? 31 TYR A HD1 8 ATOM 11117 H HD2 . TYR A 1 31 ? -0.236 -11.744 -0.291 1.00 0.00 ? 31 TYR A HD2 8 ATOM 11118 H HE1 . TYR A 1 31 ? 0.724 -9.886 4.162 1.00 0.00 ? 31 TYR A HE1 8 ATOM 11119 H HE2 . TYR A 1 31 ? -0.664 -13.096 1.718 1.00 0.00 ? 31 TYR A HE2 8 ATOM 11120 H HH . TYR A 1 31 ? 0.344 -13.093 4.187 1.00 0.00 ? 31 TYR A HH 8 ATOM 11121 N N . GLU A 1 32 ? 0.190 -8.305 -3.222 1.00 0.00 ? 32 GLU A N 8 ATOM 11122 C CA . GLU A 1 32 ? 0.541 -7.677 -4.490 1.00 0.00 ? 32 GLU A CA 8 ATOM 11123 C C . GLU A 1 32 ? -0.376 -6.493 -4.782 1.00 0.00 ? 32 GLU A C 8 ATOM 11124 O O . GLU A 1 32 ? 0.091 -5.389 -5.063 1.00 0.00 ? 32 GLU A O 8 ATOM 11125 C CB . GLU A 1 32 ? 0.455 -8.695 -5.629 1.00 0.00 ? 32 GLU A CB 8 ATOM 11126 C CG . GLU A 1 32 ? 1.150 -8.244 -6.903 1.00 0.00 ? 32 GLU A CG 8 ATOM 11127 C CD . GLU A 1 32 ? 0.250 -7.411 -7.795 1.00 0.00 ? 32 GLU A CD 8 ATOM 11128 O OE1 . GLU A 1 32 ? 0.072 -6.210 -7.501 1.00 0.00 ? 32 GLU A OE1 8 ATOM 11129 O OE2 . GLU A 1 32 ? -0.276 -7.959 -8.786 1.00 0.00 ? 32 GLU A OE2 8 ATOM 11130 H H . GLU A 1 32 ? 0.168 -9.283 -3.162 1.00 0.00 ? 32 GLU A H 8 ATOM 11131 H HA . GLU A 1 32 ? 1.557 -7.321 -4.415 1.00 0.00 ? 32 GLU A HA 8 ATOM 11132 H HB2 . GLU A 1 32 ? 0.908 -9.620 -5.304 1.00 0.00 ? 32 GLU A HB2 8 ATOM 11133 H HB3 . GLU A 1 32 ? -0.586 -8.875 -5.857 1.00 0.00 ? 32 GLU A HB3 8 ATOM 11134 H HG2 . GLU A 1 32 ? 2.013 -7.653 -6.637 1.00 0.00 ? 32 GLU A HG2 8 ATOM 11135 H HG3 . GLU A 1 32 ? 1.468 -9.117 -7.453 1.00 0.00 ? 32 GLU A HG3 8 ATOM 11136 N N . GLU A 1 33 ? -1.682 -6.731 -4.715 1.00 0.00 ? 33 GLU A N 8 ATOM 11137 C CA . GLU A 1 33 ? -2.664 -5.684 -4.973 1.00 0.00 ? 33 GLU A CA 8 ATOM 11138 C C . GLU A 1 33 ? -2.411 -4.470 -4.084 1.00 0.00 ? 33 GLU A C 8 ATOM 11139 O O . GLU A 1 33 ? -2.552 -3.328 -4.520 1.00 0.00 ? 33 GLU A O 8 ATOM 11140 C CB . GLU A 1 33 ? -4.080 -6.214 -4.742 1.00 0.00 ? 33 GLU A CB 8 ATOM 11141 C CG . GLU A 1 33 ? -4.493 -7.298 -5.724 1.00 0.00 ? 33 GLU A CG 8 ATOM 11142 C CD . GLU A 1 33 ? -4.446 -6.828 -7.165 1.00 0.00 ? 33 GLU A CD 8 ATOM 11143 O OE1 . GLU A 1 33 ? -5.415 -6.174 -7.606 1.00 0.00 ? 33 GLU A OE1 8 ATOM 11144 O OE2 . GLU A 1 33 ? -3.443 -7.113 -7.851 1.00 0.00 ? 33 GLU A OE2 8 ATOM 11145 H H . GLU A 1 33 ? -1.992 -7.632 -4.486 1.00 0.00 ? 33 GLU A H 8 ATOM 11146 H HA . GLU A 1 33 ? -2.565 -5.385 -6.006 1.00 0.00 ? 33 GLU A HA 8 ATOM 11147 H HB2 . GLU A 1 33 ? -4.141 -6.620 -3.743 1.00 0.00 ? 33 GLU A HB2 8 ATOM 11148 H HB3 . GLU A 1 33 ? -4.777 -5.394 -4.830 1.00 0.00 ? 33 GLU A HB3 8 ATOM 11149 H HG2 . GLU A 1 33 ? -3.824 -8.139 -5.614 1.00 0.00 ? 33 GLU A HG2 8 ATOM 11150 H HG3 . GLU A 1 33 ? -5.501 -7.609 -5.494 1.00 0.00 ? 33 GLU A HG3 8 ATOM 11151 N N . ALA A 1 34 ? -2.039 -4.727 -2.834 1.00 0.00 ? 34 ALA A N 8 ATOM 11152 C CA . ALA A 1 34 ? -1.766 -3.657 -1.883 1.00 0.00 ? 34 ALA A CA 8 ATOM 11153 C C . ALA A 1 34 ? -0.447 -2.962 -2.203 1.00 0.00 ? 34 ALA A C 8 ATOM 11154 O O . ALA A 1 34 ? -0.302 -1.757 -1.991 1.00 0.00 ? 34 ALA A O 8 ATOM 11155 C CB . ALA A 1 34 ? -1.746 -4.204 -0.463 1.00 0.00 ? 34 ALA A CB 8 ATOM 11156 H H . ALA A 1 34 ? -1.944 -5.659 -2.545 1.00 0.00 ? 34 ALA A H 8 ATOM 11157 H HA . ALA A 1 34 ? -2.567 -2.935 -1.953 1.00 0.00 ? 34 ALA A HA 8 ATOM 11158 H HB1 . ALA A 1 34 ? -0.740 -4.508 -0.210 1.00 0.00 ? 34 ALA A HB1 8 ATOM 11159 H HB2 . ALA A 1 34 ? -2.074 -3.437 0.222 1.00 0.00 ? 34 ALA A HB2 8 ATOM 11160 H HB3 . ALA A 1 34 ? -2.407 -5.055 -0.397 1.00 0.00 ? 34 ALA A HB3 8 ATOM 11161 N N . ILE A 1 35 ? 0.512 -3.728 -2.712 1.00 0.00 ? 35 ILE A N 8 ATOM 11162 C CA . ILE A 1 35 ? 1.819 -3.185 -3.061 1.00 0.00 ? 35 ILE A CA 8 ATOM 11163 C C . ILE A 1 35 ? 1.690 -2.041 -4.061 1.00 0.00 ? 35 ILE A C 8 ATOM 11164 O O . ILE A 1 35 ? 2.045 -0.900 -3.765 1.00 0.00 ? 35 ILE A O 8 ATOM 11165 C CB . ILE A 1 35 ? 2.739 -4.268 -3.654 1.00 0.00 ? 35 ILE A CB 8 ATOM 11166 C CG1 . ILE A 1 35 ? 3.075 -5.319 -2.593 1.00 0.00 ? 35 ILE A CG1 8 ATOM 11167 C CG2 . ILE A 1 35 ? 4.010 -3.640 -4.205 1.00 0.00 ? 35 ILE A CG2 8 ATOM 11168 C CD1 . ILE A 1 35 ? 3.803 -6.524 -3.146 1.00 0.00 ? 35 ILE A CD1 8 ATOM 11169 H H . ILE A 1 35 ? 0.336 -4.681 -2.858 1.00 0.00 ? 35 ILE A H 8 ATOM 11170 H HA . ILE A 1 35 ? 2.275 -2.808 -2.157 1.00 0.00 ? 35 ILE A HA 8 ATOM 11171 H HB . ILE A 1 35 ? 2.218 -4.745 -4.470 1.00 0.00 ? 35 ILE A HB 8 ATOM 11172 H HG12 . ILE A 1 35 ? 3.701 -4.872 -1.838 1.00 0.00 ? 35 ILE A HG12 8 ATOM 11173 H HG13 . ILE A 1 35 ? 2.158 -5.664 -2.137 1.00 0.00 ? 35 ILE A HG13 8 ATOM 11174 H HG21 . ILE A 1 35 ? 4.085 -3.849 -5.262 1.00 0.00 ? 35 ILE A HG21 8 ATOM 11175 H HG22 . ILE A 1 35 ? 3.979 -2.572 -4.052 1.00 0.00 ? 35 ILE A HG22 8 ATOM 11176 H HG23 . ILE A 1 35 ? 4.867 -4.053 -3.695 1.00 0.00 ? 35 ILE A HG23 8 ATOM 11177 H HD11 . ILE A 1 35 ? 3.871 -6.443 -4.220 1.00 0.00 ? 35 ILE A HD11 8 ATOM 11178 H HD12 . ILE A 1 35 ? 4.795 -6.571 -2.723 1.00 0.00 ? 35 ILE A HD12 8 ATOM 11179 H HD13 . ILE A 1 35 ? 3.259 -7.422 -2.888 1.00 0.00 ? 35 ILE A HD13 8 ATOM 11180 N N . SER A 1 36 ? 1.177 -2.354 -5.247 1.00 0.00 ? 36 SER A N 8 ATOM 11181 C CA . SER A 1 36 ? 1.002 -1.353 -6.292 1.00 0.00 ? 36 SER A CA 8 ATOM 11182 C C . SER A 1 36 ? 0.161 -0.183 -5.789 1.00 0.00 ? 36 SER A C 8 ATOM 11183 O O . SER A 1 36 ? 0.538 0.979 -5.945 1.00 0.00 ? 36 SER A O 8 ATOM 11184 C CB . SER A 1 36 ? 0.341 -1.979 -7.522 1.00 0.00 ? 36 SER A CB 8 ATOM 11185 O OG . SER A 1 36 ? -0.935 -2.507 -7.203 1.00 0.00 ? 36 SER A OG 8 ATOM 11186 H H . SER A 1 36 ? 0.912 -3.281 -5.423 1.00 0.00 ? 36 SER A H 8 ATOM 11187 H HA . SER A 1 36 ? 1.979 -0.986 -6.567 1.00 0.00 ? 36 SER A HA 8 ATOM 11188 H HB2 . SER A 1 36 ? 0.225 -1.227 -8.287 1.00 0.00 ? 36 SER A HB2 8 ATOM 11189 H HB3 . SER A 1 36 ? 0.966 -2.778 -7.895 1.00 0.00 ? 36 SER A HB3 8 ATOM 11190 H HG . SER A 1 36 ? -1.505 -2.453 -7.973 1.00 0.00 ? 36 SER A HG 8 ATOM 11191 N N . CYS A 1 37 ? -0.980 -0.499 -5.187 1.00 0.00 ? 37 CYS A N 8 ATOM 11192 C CA . CYS A 1 37 ? -1.876 0.524 -4.661 1.00 0.00 ? 37 CYS A CA 8 ATOM 11193 C C . CYS A 1 37 ? -1.088 1.645 -3.991 1.00 0.00 ? 37 CYS A C 8 ATOM 11194 O O . CYS A 1 37 ? -1.316 2.825 -4.258 1.00 0.00 ? 37 CYS A O 8 ATOM 11195 C CB . CYS A 1 37 ? -2.859 -0.092 -3.664 1.00 0.00 ? 37 CYS A CB 8 ATOM 11196 S SG . CYS A 1 37 ? -4.358 0.885 -3.406 1.00 0.00 ? 37 CYS A SG 8 ATOM 11197 H H . CYS A 1 37 ? -1.226 -1.443 -5.093 1.00 0.00 ? 37 CYS A H 8 ATOM 11198 H HA . CYS A 1 37 ? -2.430 0.937 -5.491 1.00 0.00 ? 37 CYS A HA 8 ATOM 11199 H HB2 . CYS A 1 37 ? -3.160 -1.066 -4.021 1.00 0.00 ? 37 CYS A HB2 8 ATOM 11200 H HB3 . CYS A 1 37 ? -2.368 -0.202 -2.709 1.00 0.00 ? 37 CYS A HB3 8 ATOM 11201 H HG . CYS A 1 37 ? -5.137 0.726 -4.466 1.00 0.00 ? 37 CYS A HG 8 ATOM 11202 N N . HIS A 1 38 ? -0.160 1.268 -3.117 1.00 0.00 ? 38 HIS A N 8 ATOM 11203 C CA . HIS A 1 38 ? 0.661 2.241 -2.406 1.00 0.00 ? 38 HIS A CA 8 ATOM 11204 C C . HIS A 1 38 ? 1.521 3.041 -3.381 1.00 0.00 ? 38 HIS A C 8 ATOM 11205 O O . HIS A 1 38 ? 1.625 4.263 -3.273 1.00 0.00 ? 38 HIS A O 8 ATOM 11206 C CB . HIS A 1 38 ? 1.552 1.538 -1.382 1.00 0.00 ? 38 HIS A CB 8 ATOM 11207 C CG . HIS A 1 38 ? 0.834 1.159 -0.123 1.00 0.00 ? 38 HIS A CG 8 ATOM 11208 N ND1 . HIS A 1 38 ? 0.203 2.078 0.689 1.00 0.00 ? 38 HIS A ND1 8 ATOM 11209 C CD2 . HIS A 1 38 ? 0.647 -0.048 0.460 1.00 0.00 ? 38 HIS A CD2 8 ATOM 11210 C CE1 . HIS A 1 38 ? -0.339 1.453 1.718 1.00 0.00 ? 38 HIS A CE1 8 ATOM 11211 N NE2 . HIS A 1 38 ? -0.085 0.162 1.603 1.00 0.00 ? 38 HIS A NE2 8 ATOM 11212 H H . HIS A 1 38 ? -0.025 0.313 -2.946 1.00 0.00 ? 38 HIS A H 8 ATOM 11213 H HA . HIS A 1 38 ? 0.000 2.920 -1.889 1.00 0.00 ? 38 HIS A HA 8 ATOM 11214 H HB2 . HIS A 1 38 ? 1.950 0.634 -1.821 1.00 0.00 ? 38 HIS A HB2 8 ATOM 11215 H HB3 . HIS A 1 38 ? 2.369 2.192 -1.114 1.00 0.00 ? 38 HIS A HB3 8 ATOM 11216 H HD1 . HIS A 1 38 ? 0.161 3.044 0.534 1.00 0.00 ? 38 HIS A HD1 8 ATOM 11217 H HD2 . HIS A 1 38 ? 1.006 -1.000 0.096 1.00 0.00 ? 38 HIS A HD2 8 ATOM 11218 H HE1 . HIS A 1 38 ? -0.897 1.917 2.518 1.00 0.00 ? 38 HIS A HE1 8 ATOM 11219 H HE2 . HIS A 1 38 ? -0.299 -0.518 2.276 1.00 0.00 ? 38 HIS A HE2 8 ATOM 11220 N N . ARG A 1 39 ? 2.134 2.343 -4.331 1.00 0.00 ? 39 ARG A N 8 ATOM 11221 C CA . ARG A 1 39 ? 2.986 2.988 -5.323 1.00 0.00 ? 39 ARG A CA 8 ATOM 11222 C C . ARG A 1 39 ? 2.260 4.154 -5.988 1.00 0.00 ? 39 ARG A C 8 ATOM 11223 O O . ARG A 1 39 ? 2.740 5.288 -5.975 1.00 0.00 ? 39 ARG A O 8 ATOM 11224 C CB . ARG A 1 39 ? 3.426 1.977 -6.383 1.00 0.00 ? 39 ARG A CB 8 ATOM 11225 C CG . ARG A 1 39 ? 4.329 0.881 -5.841 1.00 0.00 ? 39 ARG A CG 8 ATOM 11226 C CD . ARG A 1 39 ? 5.075 0.170 -6.960 1.00 0.00 ? 39 ARG A CD 8 ATOM 11227 N NE . ARG A 1 39 ? 6.240 0.927 -7.408 1.00 0.00 ? 39 ARG A NE 8 ATOM 11228 C CZ . ARG A 1 39 ? 6.930 0.633 -8.505 1.00 0.00 ? 39 ARG A CZ 8 ATOM 11229 N NH1 . ARG A 1 39 ? 6.572 -0.395 -9.262 1.00 0.00 ? 39 ARG A NH1 8 ATOM 11230 N NH2 . ARG A 1 39 ? 7.979 1.369 -8.847 1.00 0.00 ? 39 ARG A NH2 8 ATOM 11231 H H . ARG A 1 39 ? 2.012 1.372 -4.365 1.00 0.00 ? 39 ARG A H 8 ATOM 11232 H HA . ARG A 1 39 ? 3.860 3.367 -4.815 1.00 0.00 ? 39 ARG A HA 8 ATOM 11233 H HB2 . ARG A 1 39 ? 2.549 1.513 -6.808 1.00 0.00 ? 39 ARG A HB2 8 ATOM 11234 H HB3 . ARG A 1 39 ? 3.960 2.500 -7.162 1.00 0.00 ? 39 ARG A HB3 8 ATOM 11235 H HG2 . ARG A 1 39 ? 5.049 1.320 -5.167 1.00 0.00 ? 39 ARG A HG2 8 ATOM 11236 H HG3 . ARG A 1 39 ? 3.725 0.162 -5.308 1.00 0.00 ? 39 ARG A HG3 8 ATOM 11237 H HD2 . ARG A 1 39 ? 5.401 -0.795 -6.600 1.00 0.00 ? 39 ARG A HD2 8 ATOM 11238 H HD3 . ARG A 1 39 ? 4.402 0.035 -7.793 1.00 0.00 ? 39 ARG A HD3 8 ATOM 11239 H HE . ARG A 1 39 ? 6.522 1.691 -6.863 1.00 0.00 ? 39 ARG A HE 8 ATOM 11240 H HH11 . ARG A 1 39 ? 5.781 -0.951 -9.007 1.00 0.00 ? 39 ARG A HH11 8 ATOM 11241 H HH12 . ARG A 1 39 ? 7.092 -0.613 -10.088 1.00 0.00 ? 39 ARG A HH12 8 ATOM 11242 H HH21 . ARG A 1 39 ? 8.252 2.146 -8.279 1.00 0.00 ? 39 ARG A HH21 8 ATOM 11243 H HH22 . ARG A 1 39 ? 8.497 1.148 -9.673 1.00 0.00 ? 39 ARG A HH22 8 ATOM 11244 N N . LYS A 1 40 ? 1.100 3.868 -6.569 1.00 0.00 ? 40 LYS A N 8 ATOM 11245 C CA . LYS A 1 40 ? 0.305 4.891 -7.238 1.00 0.00 ? 40 LYS A CA 8 ATOM 11246 C C . LYS A 1 40 ? 0.154 6.126 -6.356 1.00 0.00 ? 40 LYS A C 8 ATOM 11247 O O . LYS A 1 40 ? 0.225 7.256 -6.837 1.00 0.00 ? 40 LYS A O 8 ATOM 11248 C CB . LYS A 1 40 ? -1.075 4.338 -7.601 1.00 0.00 ? 40 LYS A CB 8 ATOM 11249 C CG . LYS A 1 40 ? -1.065 3.431 -8.820 1.00 0.00 ? 40 LYS A CG 8 ATOM 11250 C CD . LYS A 1 40 ? -2.165 2.385 -8.745 1.00 0.00 ? 40 LYS A CD 8 ATOM 11251 C CE . LYS A 1 40 ? -2.134 1.456 -9.949 1.00 0.00 ? 40 LYS A CE 8 ATOM 11252 N NZ . LYS A 1 40 ? -3.178 0.399 -9.861 1.00 0.00 ? 40 LYS A NZ 8 ATOM 11253 H H . LYS A 1 40 ? 0.769 2.945 -6.546 1.00 0.00 ? 40 LYS A H 8 ATOM 11254 H HA . LYS A 1 40 ? 0.821 5.172 -8.144 1.00 0.00 ? 40 LYS A HA 8 ATOM 11255 H HB2 . LYS A 1 40 ? -1.456 3.775 -6.762 1.00 0.00 ? 40 LYS A HB2 8 ATOM 11256 H HB3 . LYS A 1 40 ? -1.740 5.166 -7.801 1.00 0.00 ? 40 LYS A HB3 8 ATOM 11257 H HG2 . LYS A 1 40 ? -1.213 4.030 -9.705 1.00 0.00 ? 40 LYS A HG2 8 ATOM 11258 H HG3 . LYS A 1 40 ? -0.108 2.931 -8.877 1.00 0.00 ? 40 LYS A HG3 8 ATOM 11259 H HD2 . LYS A 1 40 ? -2.031 1.798 -7.848 1.00 0.00 ? 40 LYS A HD2 8 ATOM 11260 H HD3 . LYS A 1 40 ? -3.123 2.884 -8.710 1.00 0.00 ? 40 LYS A HD3 8 ATOM 11261 H HE2 . LYS A 1 40 ? -2.299 2.040 -10.841 1.00 0.00 ? 40 LYS A HE2 8 ATOM 11262 H HE3 . LYS A 1 40 ? -1.162 0.988 -10.001 1.00 0.00 ? 40 LYS A HE3 8 ATOM 11263 H HZ1 . LYS A 1 40 ? -3.091 -0.257 -10.664 1.00 0.00 ? 40 LYS A HZ1 8 ATOM 11264 H HZ2 . LYS A 1 40 ? -4.125 0.829 -9.880 1.00 0.00 ? 40 LYS A HZ2 8 ATOM 11265 H HZ3 . LYS A 1 40 ? -3.071 -0.137 -8.976 1.00 0.00 ? 40 LYS A HZ3 8 ATOM 11266 N N . ALA A 1 41 ? -0.054 5.901 -5.062 1.00 0.00 ? 41 ALA A N 8 ATOM 11267 C CA . ALA A 1 41 ? -0.212 6.996 -4.113 1.00 0.00 ? 41 ALA A CA 8 ATOM 11268 C C . ALA A 1 41 ? 1.088 7.776 -3.953 1.00 0.00 ? 41 ALA A C 8 ATOM 11269 O O . ALA A 1 41 ? 1.128 8.988 -4.164 1.00 0.00 ? 41 ALA A O 8 ATOM 11270 C CB . ALA A 1 41 ? -0.680 6.463 -2.766 1.00 0.00 ? 41 ALA A CB 8 ATOM 11271 H H . ALA A 1 41 ? -0.101 4.978 -4.739 1.00 0.00 ? 41 ALA A H 8 ATOM 11272 H HA . ALA A 1 41 ? -0.974 7.661 -4.494 1.00 0.00 ? 41 ALA A HA 8 ATOM 11273 H HB1 . ALA A 1 41 ? -1.545 5.833 -2.911 1.00 0.00 ? 41 ALA A HB1 8 ATOM 11274 H HB2 . ALA A 1 41 ? 0.113 5.889 -2.312 1.00 0.00 ? 41 ALA A HB2 8 ATOM 11275 H HB3 . ALA A 1 41 ? -0.940 7.291 -2.123 1.00 0.00 ? 41 ALA A HB3 8 ATOM 11276 N N . THR A 1 42 ? 2.152 7.073 -3.576 1.00 0.00 ? 42 THR A N 8 ATOM 11277 C CA . THR A 1 42 ? 3.454 7.699 -3.386 1.00 0.00 ? 42 THR A CA 8 ATOM 11278 C C . THR A 1 42 ? 3.830 8.562 -4.585 1.00 0.00 ? 42 THR A C 8 ATOM 11279 O O . THR A 1 42 ? 4.240 9.713 -4.432 1.00 0.00 ? 42 THR A O 8 ATOM 11280 C CB . THR A 1 42 ? 4.556 6.647 -3.159 1.00 0.00 ? 42 THR A CB 8 ATOM 11281 O OG1 . THR A 1 42 ? 4.507 5.656 -4.192 1.00 0.00 ? 42 THR A OG1 8 ATOM 11282 C CG2 . THR A 1 42 ? 4.397 5.981 -1.801 1.00 0.00 ? 42 THR A CG2 8 ATOM 11283 H H . THR A 1 42 ? 2.057 6.110 -3.423 1.00 0.00 ? 42 THR A H 8 ATOM 11284 H HA . THR A 1 42 ? 3.397 8.326 -2.508 1.00 0.00 ? 42 THR A HA 8 ATOM 11285 H HB . THR A 1 42 ? 5.517 7.142 -3.191 1.00 0.00 ? 42 THR A HB 8 ATOM 11286 H HG1 . THR A 1 42 ? 5.365 5.231 -4.269 1.00 0.00 ? 42 THR A HG1 8 ATOM 11287 H HG21 . THR A 1 42 ? 4.936 6.548 -1.057 1.00 0.00 ? 42 THR A HG21 8 ATOM 11288 H HG22 . THR A 1 42 ? 4.791 4.977 -1.845 1.00 0.00 ? 42 THR A HG22 8 ATOM 11289 H HG23 . THR A 1 42 ? 3.351 5.946 -1.538 1.00 0.00 ? 42 THR A HG23 8 ATOM 11290 N N . THR A 1 43 ? 3.687 8.000 -5.781 1.00 0.00 ? 43 THR A N 8 ATOM 11291 C CA . THR A 1 43 ? 4.012 8.717 -7.007 1.00 0.00 ? 43 THR A CA 8 ATOM 11292 C C . THR A 1 43 ? 3.371 10.101 -7.021 1.00 0.00 ? 43 THR A C 8 ATOM 11293 O O . THR A 1 43 ? 4.049 11.107 -7.232 1.00 0.00 ? 43 THR A O 8 ATOM 11294 C CB . THR A 1 43 ? 3.550 7.938 -8.254 1.00 0.00 ? 43 THR A CB 8 ATOM 11295 O OG1 . THR A 1 43 ? 4.211 6.669 -8.311 1.00 0.00 ? 43 THR A OG1 8 ATOM 11296 C CG2 . THR A 1 43 ? 3.842 8.725 -9.522 1.00 0.00 ? 43 THR A CG2 8 ATOM 11297 H H . THR A 1 43 ? 3.356 7.079 -5.839 1.00 0.00 ? 43 THR A H 8 ATOM 11298 H HA . THR A 1 43 ? 5.085 8.828 -7.055 1.00 0.00 ? 43 THR A HA 8 ATOM 11299 H HB . THR A 1 43 ? 2.484 7.778 -8.184 1.00 0.00 ? 43 THR A HB 8 ATOM 11300 H HG1 . THR A 1 43 ? 5.076 6.740 -7.900 1.00 0.00 ? 43 THR A HG1 8 ATOM 11301 H HG21 . THR A 1 43 ? 4.181 9.717 -9.261 1.00 0.00 ? 43 THR A HG21 8 ATOM 11302 H HG22 . THR A 1 43 ? 2.943 8.797 -10.116 1.00 0.00 ? 43 THR A HG22 8 ATOM 11303 H HG23 . THR A 1 43 ? 4.609 8.220 -10.090 1.00 0.00 ? 43 THR A HG23 8 ATOM 11304 N N . TYR A 1 44 ? 2.063 10.144 -6.793 1.00 0.00 ? 44 TYR A N 8 ATOM 11305 C CA . TYR A 1 44 ? 1.331 11.405 -6.781 1.00 0.00 ? 44 TYR A CA 8 ATOM 11306 C C . TYR A 1 44 ? 1.852 12.327 -5.683 1.00 0.00 ? 44 TYR A C 8 ATOM 11307 O O . TYR A 1 44 ? 2.068 13.519 -5.907 1.00 0.00 ? 44 TYR A O 8 ATOM 11308 C CB . TYR A 1 44 ? -0.164 11.149 -6.580 1.00 0.00 ? 44 TYR A CB 8 ATOM 11309 C CG . TYR A 1 44 ? -0.964 12.406 -6.325 1.00 0.00 ? 44 TYR A CG 8 ATOM 11310 C CD1 . TYR A 1 44 ? -0.743 13.557 -7.071 1.00 0.00 ? 44 TYR A CD1 8 ATOM 11311 C CD2 . TYR A 1 44 ? -1.941 12.443 -5.338 1.00 0.00 ? 44 TYR A CD2 8 ATOM 11312 C CE1 . TYR A 1 44 ? -1.472 14.708 -6.841 1.00 0.00 ? 44 TYR A CE1 8 ATOM 11313 C CE2 . TYR A 1 44 ? -2.675 13.589 -5.102 1.00 0.00 ? 44 TYR A CE2 8 ATOM 11314 C CZ . TYR A 1 44 ? -2.437 14.719 -5.856 1.00 0.00 ? 44 TYR A CZ 8 ATOM 11315 O OH . TYR A 1 44 ? -3.166 15.863 -5.623 1.00 0.00 ? 44 TYR A OH 8 ATOM 11316 H H . TYR A 1 44 ? 1.578 9.308 -6.631 1.00 0.00 ? 44 TYR A H 8 ATOM 11317 H HA . TYR A 1 44 ? 1.479 11.884 -7.738 1.00 0.00 ? 44 TYR A HA 8 ATOM 11318 H HB2 . TYR A 1 44 ? -0.563 10.676 -7.464 1.00 0.00 ? 44 TYR A HB2 8 ATOM 11319 H HB3 . TYR A 1 44 ? -0.299 10.491 -5.734 1.00 0.00 ? 44 TYR A HB3 8 ATOM 11320 H HD1 . TYR A 1 44 ? 0.013 13.546 -7.842 1.00 0.00 ? 44 TYR A HD1 8 ATOM 11321 H HD2 . TYR A 1 44 ? -2.125 11.556 -4.749 1.00 0.00 ? 44 TYR A HD2 8 ATOM 11322 H HE1 . TYR A 1 44 ? -1.286 15.593 -7.432 1.00 0.00 ? 44 TYR A HE1 8 ATOM 11323 H HE2 . TYR A 1 44 ? -3.431 13.597 -4.330 1.00 0.00 ? 44 TYR A HE2 8 ATOM 11324 H HH . TYR A 1 44 ? -3.976 15.637 -5.161 1.00 0.00 ? 44 TYR A HH 8 ATOM 11325 N N . LEU A 1 45 ? 2.054 11.767 -4.495 1.00 0.00 ? 45 LEU A N 8 ATOM 11326 C CA . LEU A 1 45 ? 2.551 12.537 -3.360 1.00 0.00 ? 45 LEU A CA 8 ATOM 11327 C C . LEU A 1 45 ? 3.869 13.222 -3.703 1.00 0.00 ? 45 LEU A C 8 ATOM 11328 O O . LEU A 1 45 ? 4.110 14.361 -3.304 1.00 0.00 ? 45 LEU A O 8 ATOM 11329 C CB . LEU A 1 45 ? 2.736 11.628 -2.144 1.00 0.00 ? 45 LEU A CB 8 ATOM 11330 C CG . LEU A 1 45 ? 1.458 11.218 -1.411 1.00 0.00 ? 45 LEU A CG 8 ATOM 11331 C CD1 . LEU A 1 45 ? 1.768 10.191 -0.333 1.00 0.00 ? 45 LEU A CD1 8 ATOM 11332 C CD2 . LEU A 1 45 ? 0.775 12.437 -0.809 1.00 0.00 ? 45 LEU A CD2 8 ATOM 11333 H H . LEU A 1 45 ? 1.864 10.813 -4.378 1.00 0.00 ? 45 LEU A H 8 ATOM 11334 H HA . LEU A 1 45 ? 1.816 13.293 -3.126 1.00 0.00 ? 45 LEU A HA 8 ATOM 11335 H HB2 . LEU A 1 45 ? 3.229 10.727 -2.477 1.00 0.00 ? 45 LEU A HB2 8 ATOM 11336 H HB3 . LEU A 1 45 ? 3.372 12.145 -1.440 1.00 0.00 ? 45 LEU A HB3 8 ATOM 11337 H HG . LEU A 1 45 ? 0.776 10.765 -2.117 1.00 0.00 ? 45 LEU A HG 8 ATOM 11338 H HD11 . LEU A 1 45 ? 0.912 9.548 -0.192 1.00 0.00 ? 45 LEU A HD11 8 ATOM 11339 H HD12 . LEU A 1 45 ? 1.993 10.699 0.594 1.00 0.00 ? 45 LEU A HD12 8 ATOM 11340 H HD13 . LEU A 1 45 ? 2.619 9.598 -0.634 1.00 0.00 ? 45 LEU A HD13 8 ATOM 11341 H HD21 . LEU A 1 45 ? 0.046 12.117 -0.079 1.00 0.00 ? 45 LEU A HD21 8 ATOM 11342 H HD22 . LEU A 1 45 ? 0.280 12.995 -1.591 1.00 0.00 ? 45 LEU A HD22 8 ATOM 11343 H HD23 . LEU A 1 45 ? 1.513 13.064 -0.331 1.00 0.00 ? 45 LEU A HD23 8 ATOM 11344 N N . SER A 1 46 ? 4.719 12.521 -4.447 1.00 0.00 ? 46 SER A N 8 ATOM 11345 C CA . SER A 1 46 ? 6.014 13.062 -4.843 1.00 0.00 ? 46 SER A CA 8 ATOM 11346 C C . SER A 1 46 ? 5.843 14.232 -5.807 1.00 0.00 ? 46 SER A C 8 ATOM 11347 O O . SER A 1 46 ? 6.559 15.229 -5.722 1.00 0.00 ? 46 SER A O 8 ATOM 11348 C CB . SER A 1 46 ? 6.868 11.971 -5.493 1.00 0.00 ? 46 SER A CB 8 ATOM 11349 O OG . SER A 1 46 ? 8.249 12.263 -5.368 1.00 0.00 ? 46 SER A OG 8 ATOM 11350 H H . SER A 1 46 ? 4.469 11.618 -4.735 1.00 0.00 ? 46 SER A H 8 ATOM 11351 H HA . SER A 1 46 ? 6.512 13.414 -3.952 1.00 0.00 ? 46 SER A HA 8 ATOM 11352 H HB2 . SER A 1 46 ? 6.668 11.026 -5.013 1.00 0.00 ? 46 SER A HB2 8 ATOM 11353 H HB3 . SER A 1 46 ? 6.620 11.902 -6.543 1.00 0.00 ? 46 SER A HB3 8 ATOM 11354 H HG . SER A 1 46 ? 8.406 12.723 -4.540 1.00 0.00 ? 46 SER A HG 8 ATOM 11355 N N . GLU A 1 47 ? 4.889 14.101 -6.723 1.00 0.00 ? 47 GLU A N 8 ATOM 11356 C CA . GLU A 1 47 ? 4.624 15.147 -7.704 1.00 0.00 ? 47 GLU A CA 8 ATOM 11357 C C . GLU A 1 47 ? 4.075 16.401 -7.028 1.00 0.00 ? 47 GLU A C 8 ATOM 11358 O O . GLU A 1 47 ? 4.151 17.499 -7.578 1.00 0.00 ? 47 GLU A O 8 ATOM 11359 C CB . GLU A 1 47 ? 3.634 14.649 -8.759 1.00 0.00 ? 47 GLU A CB 8 ATOM 11360 C CG . GLU A 1 47 ? 4.298 13.961 -9.939 1.00 0.00 ? 47 GLU A CG 8 ATOM 11361 C CD . GLU A 1 47 ? 4.791 14.942 -10.986 1.00 0.00 ? 47 GLU A CD 8 ATOM 11362 O OE1 . GLU A 1 47 ? 5.863 15.545 -10.776 1.00 0.00 ? 47 GLU A OE1 8 ATOM 11363 O OE2 . GLU A 1 47 ? 4.102 15.105 -12.015 1.00 0.00 ? 47 GLU A OE2 8 ATOM 11364 H H . GLU A 1 47 ? 4.351 13.282 -6.740 1.00 0.00 ? 47 GLU A H 8 ATOM 11365 H HA . GLU A 1 47 ? 5.557 15.393 -8.187 1.00 0.00 ? 47 GLU A HA 8 ATOM 11366 H HB2 . GLU A 1 47 ? 2.954 13.949 -8.296 1.00 0.00 ? 47 GLU A HB2 8 ATOM 11367 H HB3 . GLU A 1 47 ? 3.070 15.491 -9.132 1.00 0.00 ? 47 GLU A HB3 8 ATOM 11368 H HG2 . GLU A 1 47 ? 5.140 13.389 -9.579 1.00 0.00 ? 47 GLU A HG2 8 ATOM 11369 H HG3 . GLU A 1 47 ? 3.583 13.294 -10.400 1.00 0.00 ? 47 GLU A HG3 8 ATOM 11370 N N . ALA A 1 48 ? 3.523 16.227 -5.832 1.00 0.00 ? 48 ALA A N 8 ATOM 11371 C CA . ALA A 1 48 ? 2.963 17.343 -5.080 1.00 0.00 ? 48 ALA A CA 8 ATOM 11372 C C . ALA A 1 48 ? 4.063 18.256 -4.551 1.00 0.00 ? 48 ALA A C 8 ATOM 11373 O O . ALA A 1 48 ? 4.182 19.407 -4.969 1.00 0.00 ? 48 ALA A O 8 ATOM 11374 C CB . ALA A 1 48 ? 2.105 16.829 -3.933 1.00 0.00 ? 48 ALA A CB 8 ATOM 11375 H H . ALA A 1 48 ? 3.492 15.327 -5.446 1.00 0.00 ? 48 ALA A H 8 ATOM 11376 H HA . ALA A 1 48 ? 2.328 17.909 -5.746 1.00 0.00 ? 48 ALA A HA 8 ATOM 11377 H HB1 . ALA A 1 48 ? 1.705 15.859 -4.190 1.00 0.00 ? 48 ALA A HB1 8 ATOM 11378 H HB2 . ALA A 1 48 ? 2.708 16.746 -3.041 1.00 0.00 ? 48 ALA A HB2 8 ATOM 11379 H HB3 . ALA A 1 48 ? 1.292 17.517 -3.755 1.00 0.00 ? 48 ALA A HB3 8 ATOM 11380 N N . MET A 1 49 ? 4.866 17.735 -3.629 1.00 0.00 ? 49 MET A N 8 ATOM 11381 C CA . MET A 1 49 ? 5.958 18.504 -3.044 1.00 0.00 ? 49 MET A CA 8 ATOM 11382 C C . MET A 1 49 ? 6.876 19.057 -4.129 1.00 0.00 ? 49 MET A C 8 ATOM 11383 O O . MET A 1 49 ? 7.521 20.089 -3.944 1.00 0.00 ? 49 MET A O 8 ATOM 11384 C CB . MET A 1 49 ? 6.761 17.634 -2.074 1.00 0.00 ? 49 MET A CB 8 ATOM 11385 C CG . MET A 1 49 ? 7.238 16.326 -2.684 1.00 0.00 ? 49 MET A CG 8 ATOM 11386 S SD . MET A 1 49 ? 7.902 15.187 -1.454 1.00 0.00 ? 49 MET A SD 8 ATOM 11387 C CE . MET A 1 49 ? 6.521 15.073 -0.319 1.00 0.00 ? 49 MET A CE 8 ATOM 11388 H H . MET A 1 49 ? 4.722 16.811 -3.335 1.00 0.00 ? 49 MET A H 8 ATOM 11389 H HA . MET A 1 49 ? 5.526 19.330 -2.498 1.00 0.00 ? 49 MET A HA 8 ATOM 11390 H HB2 . MET A 1 49 ? 7.626 18.189 -1.744 1.00 0.00 ? 49 MET A HB2 8 ATOM 11391 H HB3 . MET A 1 49 ? 6.143 17.403 -1.220 1.00 0.00 ? 49 MET A HB3 8 ATOM 11392 H HG2 . MET A 1 49 ? 6.405 15.851 -3.181 1.00 0.00 ? 49 MET A HG2 8 ATOM 11393 H HG3 . MET A 1 49 ? 8.010 16.543 -3.408 1.00 0.00 ? 49 MET A HG3 8 ATOM 11394 H HE1 . MET A 1 49 ? 6.638 15.804 0.466 1.00 0.00 ? 49 MET A HE1 8 ATOM 11395 H HE2 . MET A 1 49 ? 5.601 15.261 -0.852 1.00 0.00 ? 49 MET A HE2 8 ATOM 11396 H HE3 . MET A 1 49 ? 6.491 14.082 0.112 1.00 0.00 ? 49 MET A HE3 8 ATOM 11397 N N . LYS A 1 50 ? 6.930 18.365 -5.261 1.00 0.00 ? 50 LYS A N 8 ATOM 11398 C CA . LYS A 1 50 ? 7.768 18.786 -6.377 1.00 0.00 ? 50 LYS A CA 8 ATOM 11399 C C . LYS A 1 50 ? 7.289 20.118 -6.945 1.00 0.00 ? 50 LYS A C 8 ATOM 11400 O O . LYS A 1 50 ? 8.053 20.845 -7.581 1.00 0.00 ? 50 LYS A O 8 ATOM 11401 C CB . LYS A 1 50 ? 7.764 17.721 -7.476 1.00 0.00 ? 50 LYS A CB 8 ATOM 11402 C CG . LYS A 1 50 ? 8.814 16.641 -7.280 1.00 0.00 ? 50 LYS A CG 8 ATOM 11403 C CD . LYS A 1 50 ? 8.710 15.561 -8.344 1.00 0.00 ? 50 LYS A CD 8 ATOM 11404 C CE . LYS A 1 50 ? 9.717 14.446 -8.108 1.00 0.00 ? 50 LYS A CE 8 ATOM 11405 N NZ . LYS A 1 50 ? 10.076 13.746 -9.372 1.00 0.00 ? 50 LYS A NZ 8 ATOM 11406 H H . LYS A 1 50 ? 6.392 17.549 -5.349 1.00 0.00 ? 50 LYS A H 8 ATOM 11407 H HA . LYS A 1 50 ? 8.776 18.907 -6.009 1.00 0.00 ? 50 LYS A HA 8 ATOM 11408 H HB2 . LYS A 1 50 ? 6.793 17.249 -7.500 1.00 0.00 ? 50 LYS A HB2 8 ATOM 11409 H HB3 . LYS A 1 50 ? 7.946 18.201 -8.427 1.00 0.00 ? 50 LYS A HB3 8 ATOM 11410 H HG2 . LYS A 1 50 ? 9.795 17.090 -7.333 1.00 0.00 ? 50 LYS A HG2 8 ATOM 11411 H HG3 . LYS A 1 50 ? 8.676 16.190 -6.307 1.00 0.00 ? 50 LYS A HG3 8 ATOM 11412 H HD2 . LYS A 1 50 ? 7.715 15.143 -8.324 1.00 0.00 ? 50 LYS A HD2 8 ATOM 11413 H HD3 . LYS A 1 50 ? 8.896 16.004 -9.312 1.00 0.00 ? 50 LYS A HD3 8 ATOM 11414 H HE2 . LYS A 1 50 ? 10.609 14.871 -7.675 1.00 0.00 ? 50 LYS A HE2 8 ATOM 11415 H HE3 . LYS A 1 50 ? 9.288 13.732 -7.420 1.00 0.00 ? 50 LYS A HE3 8 ATOM 11416 H HZ1 . LYS A 1 50 ? 9.611 12.817 -9.410 1.00 0.00 ? 50 LYS A HZ1 8 ATOM 11417 H HZ2 . LYS A 1 50 ? 11.105 13.608 -9.423 1.00 0.00 ? 50 LYS A HZ2 8 ATOM 11418 H HZ3 . LYS A 1 50 ? 9.771 14.309 -10.191 1.00 0.00 ? 50 LYS A HZ3 8 ATOM 11419 N N . LEU A 1 51 ? 6.020 20.434 -6.710 1.00 0.00 ? 51 LEU A N 8 ATOM 11420 C CA . LEU A 1 51 ? 5.439 21.680 -7.197 1.00 0.00 ? 51 LEU A CA 8 ATOM 11421 C C . LEU A 1 51 ? 5.385 22.726 -6.088 1.00 0.00 ? 51 LEU A C 8 ATOM 11422 O O . LEU A 1 51 ? 5.937 23.818 -6.222 1.00 0.00 ? 51 LEU A O 8 ATOM 11423 C CB . LEU A 1 51 ? 4.033 21.430 -7.746 1.00 0.00 ? 51 LEU A CB 8 ATOM 11424 C CG . LEU A 1 51 ? 3.944 20.530 -8.979 1.00 0.00 ? 51 LEU A CG 8 ATOM 11425 C CD1 . LEU A 1 51 ? 2.623 19.776 -8.995 1.00 0.00 ? 51 LEU A CD1 8 ATOM 11426 C CD2 . LEU A 1 51 ? 4.107 21.350 -10.250 1.00 0.00 ? 51 LEU A CD2 8 ATOM 11427 H H . LEU A 1 51 ? 5.460 19.814 -6.198 1.00 0.00 ? 51 LEU A H 8 ATOM 11428 H HA . LEU A 1 51 ? 6.067 22.049 -7.994 1.00 0.00 ? 51 LEU A HA 8 ATOM 11429 H HB2 . LEU A 1 51 ? 3.448 20.974 -6.962 1.00 0.00 ? 51 LEU A HB2 8 ATOM 11430 H HB3 . LEU A 1 51 ? 3.604 22.388 -8.002 1.00 0.00 ? 51 LEU A HB3 8 ATOM 11431 H HG . LEU A 1 51 ? 4.743 19.803 -8.944 1.00 0.00 ? 51 LEU A HG 8 ATOM 11432 H HD11 . LEU A 1 51 ? 2.779 18.786 -9.397 1.00 0.00 ? 51 LEU A HD11 8 ATOM 11433 H HD12 . LEU A 1 51 ? 1.913 20.307 -9.611 1.00 0.00 ? 51 LEU A HD12 8 ATOM 11434 H HD13 . LEU A 1 51 ? 2.240 19.700 -7.988 1.00 0.00 ? 51 LEU A HD13 8 ATOM 11435 H HD21 . LEU A 1 51 ? 4.196 20.686 -11.097 1.00 0.00 ? 51 LEU A HD21 8 ATOM 11436 H HD22 . LEU A 1 51 ? 4.997 21.958 -10.175 1.00 0.00 ? 51 LEU A HD22 8 ATOM 11437 H HD23 . LEU A 1 51 ? 3.245 21.987 -10.381 1.00 0.00 ? 51 LEU A HD23 8 ATOM 11438 N N . THR A 1 52 ? 4.719 22.383 -4.990 1.00 0.00 ? 52 THR A N 8 ATOM 11439 C CA . THR A 1 52 ? 4.594 23.291 -3.857 1.00 0.00 ? 52 THR A CA 8 ATOM 11440 C C . THR A 1 52 ? 5.925 23.967 -3.545 1.00 0.00 ? 52 THR A C 8 ATOM 11441 O O . THR A 1 52 ? 6.957 23.305 -3.437 1.00 0.00 ? 52 THR A O 8 ATOM 11442 C CB . THR A 1 52 ? 4.099 22.554 -2.598 1.00 0.00 ? 52 THR A CB 8 ATOM 11443 O OG1 . THR A 1 52 ? 3.438 23.472 -1.721 1.00 0.00 ? 52 THR A OG1 8 ATOM 11444 C CG2 . THR A 1 52 ? 5.257 21.891 -1.867 1.00 0.00 ? 52 THR A CG2 8 ATOM 11445 H H . THR A 1 52 ? 4.301 21.498 -4.943 1.00 0.00 ? 52 THR A H 8 ATOM 11446 H HA . THR A 1 52 ? 3.868 24.048 -4.114 1.00 0.00 ? 52 THR A HA 8 ATOM 11447 H HB . THR A 1 52 ? 3.398 21.788 -2.900 1.00 0.00 ? 52 THR A HB 8 ATOM 11448 H HG1 . THR A 1 52 ? 2.487 23.400 -1.839 1.00 0.00 ? 52 THR A HG1 8 ATOM 11449 H HG21 . THR A 1 52 ? 5.953 21.488 -2.587 1.00 0.00 ? 52 THR A HG21 8 ATOM 11450 H HG22 . THR A 1 52 ? 4.881 21.094 -1.244 1.00 0.00 ? 52 THR A HG22 8 ATOM 11451 H HG23 . THR A 1 52 ? 5.760 22.623 -1.253 1.00 0.00 ? 52 THR A HG23 8 ATOM 11452 N N . GLU A 1 53 ? 5.892 25.288 -3.401 1.00 0.00 ? 53 GLU A N 8 ATOM 11453 C CA . GLU A 1 53 ? 7.097 26.053 -3.101 1.00 0.00 ? 53 GLU A CA 8 ATOM 11454 C C . GLU A 1 53 ? 7.252 26.258 -1.597 1.00 0.00 ? 53 GLU A C 8 ATOM 11455 O O . GLU A 1 53 ? 8.365 26.392 -1.089 1.00 0.00 ? 53 GLU A O 8 ATOM 11456 C CB . GLU A 1 53 ? 7.058 27.408 -3.811 1.00 0.00 ? 53 GLU A CB 8 ATOM 11457 C CG . GLU A 1 53 ? 6.378 28.499 -3.001 1.00 0.00 ? 53 GLU A CG 8 ATOM 11458 C CD . GLU A 1 53 ? 6.516 29.869 -3.636 1.00 0.00 ? 53 GLU A CD 8 ATOM 11459 O OE1 . GLU A 1 53 ? 7.593 30.484 -3.492 1.00 0.00 ? 53 GLU A OE1 8 ATOM 11460 O OE2 . GLU A 1 53 ? 5.547 30.325 -4.278 1.00 0.00 ? 53 GLU A OE2 8 ATOM 11461 H H . GLU A 1 53 ? 5.039 25.759 -3.498 1.00 0.00 ? 53 GLU A H 8 ATOM 11462 H HA . GLU A 1 53 ? 7.945 25.491 -3.464 1.00 0.00 ? 53 GLU A HA 8 ATOM 11463 H HB2 . GLU A 1 53 ? 8.070 27.720 -4.021 1.00 0.00 ? 53 GLU A HB2 8 ATOM 11464 H HB3 . GLU A 1 53 ? 6.525 27.296 -4.743 1.00 0.00 ? 53 GLU A HB3 8 ATOM 11465 H HG2 . GLU A 1 53 ? 5.328 28.264 -2.914 1.00 0.00 ? 53 GLU A HG2 8 ATOM 11466 H HG3 . GLU A 1 53 ? 6.822 28.528 -2.016 1.00 0.00 ? 53 GLU A HG3 8 ATOM 11467 N N . SER A 1 54 ? 6.126 26.282 -0.890 1.00 0.00 ? 54 SER A N 8 ATOM 11468 C CA . SER A 1 54 ? 6.135 26.475 0.555 1.00 0.00 ? 54 SER A CA 8 ATOM 11469 C C . SER A 1 54 ? 6.696 25.247 1.264 1.00 0.00 ? 54 SER A C 8 ATOM 11470 O O . SER A 1 54 ? 6.300 24.117 0.978 1.00 0.00 ? 54 SER A O 8 ATOM 11471 C CB . SER A 1 54 ? 4.721 26.768 1.060 1.00 0.00 ? 54 SER A CB 8 ATOM 11472 O OG . SER A 1 54 ? 4.235 27.992 0.537 1.00 0.00 ? 54 SER A OG 8 ATOM 11473 H H . SER A 1 54 ? 5.269 26.169 -1.353 1.00 0.00 ? 54 SER A H 8 ATOM 11474 H HA . SER A 1 54 ? 6.768 27.323 0.772 1.00 0.00 ? 54 SER A HA 8 ATOM 11475 H HB2 . SER A 1 54 ? 4.060 25.972 0.753 1.00 0.00 ? 54 SER A HB2 8 ATOM 11476 H HB3 . SER A 1 54 ? 4.732 26.830 2.139 1.00 0.00 ? 54 SER A HB3 8 ATOM 11477 H HG . SER A 1 54 ? 4.941 28.643 0.537 1.00 0.00 ? 54 SER A HG 8 ATOM 11478 N N . GLU A 1 55 ? 7.622 25.477 2.190 1.00 0.00 ? 55 GLU A N 8 ATOM 11479 C CA . GLU A 1 55 ? 8.239 24.389 2.940 1.00 0.00 ? 55 GLU A CA 8 ATOM 11480 C C . GLU A 1 55 ? 7.209 23.676 3.811 1.00 0.00 ? 55 GLU A C 8 ATOM 11481 O O . GLU A 1 55 ? 7.007 22.469 3.687 1.00 0.00 ? 55 GLU A O 8 ATOM 11482 C CB . GLU A 1 55 ? 9.378 24.923 3.811 1.00 0.00 ? 55 GLU A CB 8 ATOM 11483 C CG . GLU A 1 55 ? 10.387 23.860 4.212 1.00 0.00 ? 55 GLU A CG 8 ATOM 11484 C CD . GLU A 1 55 ? 10.860 23.031 3.033 1.00 0.00 ? 55 GLU A CD 8 ATOM 11485 O OE1 . GLU A 1 55 ? 11.142 23.621 1.969 1.00 0.00 ? 55 GLU A OE1 8 ATOM 11486 O OE2 . GLU A 1 55 ? 10.949 21.794 3.175 1.00 0.00 ? 55 GLU A OE2 8 ATOM 11487 H H . GLU A 1 55 ? 7.896 26.400 2.373 1.00 0.00 ? 55 GLU A H 8 ATOM 11488 H HA . GLU A 1 55 ? 8.642 23.684 2.229 1.00 0.00 ? 55 GLU A HA 8 ATOM 11489 H HB2 . GLU A 1 55 ? 9.899 25.698 3.268 1.00 0.00 ? 55 GLU A HB2 8 ATOM 11490 H HB3 . GLU A 1 55 ? 8.958 25.347 4.711 1.00 0.00 ? 55 GLU A HB3 8 ATOM 11491 H HG2 . GLU A 1 55 ? 11.243 24.344 4.659 1.00 0.00 ? 55 GLU A HG2 8 ATOM 11492 H HG3 . GLU A 1 55 ? 9.929 23.201 4.935 1.00 0.00 ? 55 GLU A HG3 8 ATOM 11493 N N . GLN A 1 56 ? 6.562 24.432 4.692 1.00 0.00 ? 56 GLN A N 8 ATOM 11494 C CA . GLN A 1 56 ? 5.555 23.872 5.585 1.00 0.00 ? 56 GLN A CA 8 ATOM 11495 C C . GLN A 1 56 ? 4.710 22.827 4.864 1.00 0.00 ? 56 GLN A C 8 ATOM 11496 O O . GLN A 1 56 ? 4.284 21.839 5.462 1.00 0.00 ? 56 GLN A O 8 ATOM 11497 C CB . GLN A 1 56 ? 4.656 24.982 6.134 1.00 0.00 ? 56 GLN A CB 8 ATOM 11498 C CG . GLN A 1 56 ? 5.284 25.764 7.276 1.00 0.00 ? 56 GLN A CG 8 ATOM 11499 C CD . GLN A 1 56 ? 5.008 25.141 8.630 1.00 0.00 ? 56 GLN A CD 8 ATOM 11500 O OE1 . GLN A 1 56 ? 3.864 24.831 8.963 1.00 0.00 ? 56 GLN A OE1 8 ATOM 11501 N NE2 . GLN A 1 56 ? 6.059 24.954 9.421 1.00 0.00 ? 56 GLN A NE2 8 ATOM 11502 H H . GLN A 1 56 ? 6.768 25.388 4.743 1.00 0.00 ? 56 GLN A H 8 ATOM 11503 H HA . GLN A 1 56 ? 6.068 23.397 6.407 1.00 0.00 ? 56 GLN A HA 8 ATOM 11504 H HB2 . GLN A 1 56 ? 4.428 25.672 5.335 1.00 0.00 ? 56 GLN A HB2 8 ATOM 11505 H HB3 . GLN A 1 56 ? 3.737 24.541 6.491 1.00 0.00 ? 56 GLN A HB3 8 ATOM 11506 H HG2 . GLN A 1 56 ? 6.352 25.802 7.125 1.00 0.00 ? 56 GLN A HG2 8 ATOM 11507 H HG3 . GLN A 1 56 ? 4.885 26.768 7.269 1.00 0.00 ? 56 GLN A HG3 8 ATOM 11508 H HE21 . GLN A 1 56 ? 6.941 25.226 9.090 1.00 0.00 ? 56 GLN A HE21 8 ATOM 11509 H HE22 . GLN A 1 56 ? 5.910 24.554 10.302 1.00 0.00 ? 56 GLN A HE22 8 ATOM 11510 N N . ALA A 1 57 ? 4.470 23.052 3.576 1.00 0.00 ? 57 ALA A N 8 ATOM 11511 C CA . ALA A 1 57 ? 3.677 22.129 2.774 1.00 0.00 ? 57 ALA A CA 8 ATOM 11512 C C . ALA A 1 57 ? 4.469 20.869 2.444 1.00 0.00 ? 57 ALA A C 8 ATOM 11513 O O . ALA A 1 57 ? 3.989 19.752 2.640 1.00 0.00 ? 57 ALA A O 8 ATOM 11514 C CB . ALA A 1 57 ? 3.207 22.810 1.497 1.00 0.00 ? 57 ALA A CB 8 ATOM 11515 H H . ALA A 1 57 ? 4.836 23.858 3.156 1.00 0.00 ? 57 ALA A H 8 ATOM 11516 H HA . ALA A 1 57 ? 2.804 21.854 3.348 1.00 0.00 ? 57 ALA A HA 8 ATOM 11517 H HB1 . ALA A 1 57 ? 2.261 23.299 1.677 1.00 0.00 ? 57 ALA A HB1 8 ATOM 11518 H HB2 . ALA A 1 57 ? 3.939 23.542 1.189 1.00 0.00 ? 57 ALA A HB2 8 ATOM 11519 H HB3 . ALA A 1 57 ? 3.088 22.071 0.719 1.00 0.00 ? 57 ALA A HB3 8 ATOM 11520 N N . HIS A 1 58 ? 5.686 21.055 1.941 1.00 0.00 ? 58 HIS A N 8 ATOM 11521 C CA . HIS A 1 58 ? 6.545 19.932 1.583 1.00 0.00 ? 58 HIS A CA 8 ATOM 11522 C C . HIS A 1 58 ? 6.698 18.969 2.757 1.00 0.00 ? 58 HIS A C 8 ATOM 11523 O O . HIS A 1 58 ? 6.798 17.756 2.569 1.00 0.00 ? 58 HIS A O 8 ATOM 11524 C CB . HIS A 1 58 ? 7.919 20.435 1.139 1.00 0.00 ? 58 HIS A CB 8 ATOM 11525 C CG . HIS A 1 58 ? 8.905 19.337 0.884 1.00 0.00 ? 58 HIS A CG 8 ATOM 11526 N ND1 . HIS A 1 58 ? 9.357 18.487 1.871 1.00 0.00 ? 58 HIS A ND1 8 ATOM 11527 C CD2 . HIS A 1 58 ? 9.525 18.951 -0.256 1.00 0.00 ? 58 HIS A CD2 8 ATOM 11528 C CE1 . HIS A 1 58 ? 10.214 17.627 1.350 1.00 0.00 ? 58 HIS A CE1 8 ATOM 11529 N NE2 . HIS A 1 58 ? 10.333 17.886 0.061 1.00 0.00 ? 58 HIS A NE2 8 ATOM 11530 H H . HIS A 1 58 ? 6.013 21.969 1.807 1.00 0.00 ? 58 HIS A H 8 ATOM 11531 H HA . HIS A 1 58 ? 6.080 19.407 0.762 1.00 0.00 ? 58 HIS A HA 8 ATOM 11532 H HB2 . HIS A 1 58 ? 7.809 21.000 0.225 1.00 0.00 ? 58 HIS A HB2 8 ATOM 11533 H HB3 . HIS A 1 58 ? 8.326 21.076 1.907 1.00 0.00 ? 58 HIS A HB3 8 ATOM 11534 H HD1 . HIS A 1 58 ? 9.090 18.512 2.813 1.00 0.00 ? 58 HIS A HD1 8 ATOM 11535 H HD2 . HIS A 1 58 ? 9.407 19.397 -1.233 1.00 0.00 ? 58 HIS A HD2 8 ATOM 11536 H HE1 . HIS A 1 58 ? 10.729 16.844 1.887 1.00 0.00 ? 58 HIS A HE1 8 ATOM 11537 H HE2 . HIS A 1 58 ? 10.969 17.453 -0.545 1.00 0.00 ? 58 HIS A HE2 8 ATOM 11538 N N . LEU A 1 59 ? 6.715 19.517 3.967 1.00 0.00 ? 59 LEU A N 8 ATOM 11539 C CA . LEU A 1 59 ? 6.856 18.707 5.172 1.00 0.00 ? 59 LEU A CA 8 ATOM 11540 C C . LEU A 1 59 ? 5.615 17.851 5.400 1.00 0.00 ? 59 LEU A C 8 ATOM 11541 O O . LEU A 1 59 ? 5.711 16.635 5.568 1.00 0.00 ? 59 LEU A O 8 ATOM 11542 C CB . LEU A 1 59 ? 7.102 19.604 6.386 1.00 0.00 ? 59 LEU A CB 8 ATOM 11543 C CG . LEU A 1 59 ? 8.563 19.945 6.684 1.00 0.00 ? 59 LEU A CG 8 ATOM 11544 C CD1 . LEU A 1 59 ? 9.289 20.341 5.409 1.00 0.00 ? 59 LEU A CD1 8 ATOM 11545 C CD2 . LEU A 1 59 ? 8.650 21.058 7.718 1.00 0.00 ? 59 LEU A CD2 8 ATOM 11546 H H . LEU A 1 59 ? 6.631 20.490 4.053 1.00 0.00 ? 59 LEU A H 8 ATOM 11547 H HA . LEU A 1 59 ? 7.708 18.057 5.036 1.00 0.00 ? 59 LEU A HA 8 ATOM 11548 H HB2 . LEU A 1 59 ? 6.573 20.530 6.226 1.00 0.00 ? 59 LEU A HB2 8 ATOM 11549 H HB3 . LEU A 1 59 ? 6.695 19.104 7.253 1.00 0.00 ? 59 LEU A HB3 8 ATOM 11550 H HG . LEU A 1 59 ? 9.054 19.071 7.090 1.00 0.00 ? 59 LEU A HG 8 ATOM 11551 H HD11 . LEU A 1 59 ? 10.223 20.821 5.660 1.00 0.00 ? 59 LEU A HD11 8 ATOM 11552 H HD12 . LEU A 1 59 ? 8.674 21.025 4.842 1.00 0.00 ? 59 LEU A HD12 8 ATOM 11553 H HD13 . LEU A 1 59 ? 9.486 19.459 4.817 1.00 0.00 ? 59 LEU A HD13 8 ATOM 11554 H HD21 . LEU A 1 59 ? 9.579 21.594 7.592 1.00 0.00 ? 59 LEU A HD21 8 ATOM 11555 H HD22 . LEU A 1 59 ? 8.613 20.632 8.710 1.00 0.00 ? 59 LEU A HD22 8 ATOM 11556 H HD23 . LEU A 1 59 ? 7.822 21.738 7.587 1.00 0.00 ? 59 LEU A HD23 8 ATOM 11557 N N . SER A 1 60 ? 4.452 18.493 5.403 1.00 0.00 ? 60 SER A N 8 ATOM 11558 C CA . SER A 1 60 ? 3.191 17.790 5.613 1.00 0.00 ? 60 SER A CA 8 ATOM 11559 C C . SER A 1 60 ? 3.054 16.619 4.644 1.00 0.00 ? 60 SER A C 8 ATOM 11560 O O . SER A 1 60 ? 2.339 15.654 4.914 1.00 0.00 ? 60 SER A O 8 ATOM 11561 C CB . SER A 1 60 ? 2.013 18.750 5.440 1.00 0.00 ? 60 SER A CB 8 ATOM 11562 O OG . SER A 1 60 ? 0.878 18.299 6.160 1.00 0.00 ? 60 SER A OG 8 ATOM 11563 H H . SER A 1 60 ? 4.441 19.463 5.264 1.00 0.00 ? 60 SER A H 8 ATOM 11564 H HA . SER A 1 60 ? 3.189 17.408 6.623 1.00 0.00 ? 60 SER A HA 8 ATOM 11565 H HB2 . SER A 1 60 ? 2.291 19.726 5.806 1.00 0.00 ? 60 SER A HB2 8 ATOM 11566 H HB3 . SER A 1 60 ? 1.757 18.817 4.393 1.00 0.00 ? 60 SER A HB3 8 ATOM 11567 H HG . SER A 1 60 ? 1.163 17.779 6.915 1.00 0.00 ? 60 SER A HG 8 ATOM 11568 N N . LEU A 1 61 ? 3.746 16.712 3.513 1.00 0.00 ? 61 LEU A N 8 ATOM 11569 C CA . LEU A 1 61 ? 3.703 15.662 2.502 1.00 0.00 ? 61 LEU A CA 8 ATOM 11570 C C . LEU A 1 61 ? 4.787 14.618 2.753 1.00 0.00 ? 61 LEU A C 8 ATOM 11571 O O . LEU A 1 61 ? 4.492 13.442 2.961 1.00 0.00 ? 61 LEU A O 8 ATOM 11572 C CB . LEU A 1 61 ? 3.872 16.263 1.106 1.00 0.00 ? 61 LEU A CB 8 ATOM 11573 C CG . LEU A 1 61 ? 2.921 17.405 0.747 1.00 0.00 ? 61 LEU A CG 8 ATOM 11574 C CD1 . LEU A 1 61 ? 3.553 18.321 -0.289 1.00 0.00 ? 61 LEU A CD1 8 ATOM 11575 C CD2 . LEU A 1 61 ? 1.596 16.856 0.238 1.00 0.00 ? 61 LEU A CD2 8 ATOM 11576 H H . LEU A 1 61 ? 4.298 17.505 3.354 1.00 0.00 ? 61 LEU A H 8 ATOM 11577 H HA . LEU A 1 61 ? 2.737 15.182 2.563 1.00 0.00 ? 61 LEU A HA 8 ATOM 11578 H HB2 . LEU A 1 61 ? 4.882 16.637 1.027 1.00 0.00 ? 61 LEU A HB2 8 ATOM 11579 H HB3 . LEU A 1 61 ? 3.727 15.471 0.385 1.00 0.00 ? 61 LEU A HB3 8 ATOM 11580 H HG . LEU A 1 61 ? 2.722 17.992 1.633 1.00 0.00 ? 61 LEU A HG 8 ATOM 11581 H HD11 . LEU A 1 61 ? 3.172 19.323 -0.164 1.00 0.00 ? 61 LEU A HD11 8 ATOM 11582 H HD12 . LEU A 1 61 ? 3.312 17.965 -1.280 1.00 0.00 ? 61 LEU A HD12 8 ATOM 11583 H HD13 . LEU A 1 61 ? 4.626 18.324 -0.160 1.00 0.00 ? 61 LEU A HD13 8 ATOM 11584 H HD21 . LEU A 1 61 ? 1.781 16.001 -0.396 1.00 0.00 ? 61 LEU A HD21 8 ATOM 11585 H HD22 . LEU A 1 61 ? 1.084 17.619 -0.329 1.00 0.00 ? 61 LEU A HD22 8 ATOM 11586 H HD23 . LEU A 1 61 ? 0.984 16.557 1.076 1.00 0.00 ? 61 LEU A HD23 8 ATOM 11587 N N . GLU A 1 62 ? 6.041 15.059 2.735 1.00 0.00 ? 62 GLU A N 8 ATOM 11588 C CA . GLU A 1 62 ? 7.168 14.163 2.963 1.00 0.00 ? 62 GLU A CA 8 ATOM 11589 C C . GLU A 1 62 ? 6.876 13.203 4.113 1.00 0.00 ? 62 GLU A C 8 ATOM 11590 O O . GLU A 1 62 ? 7.321 12.054 4.106 1.00 0.00 ? 62 GLU A O 8 ATOM 11591 C CB . GLU A 1 62 ? 8.435 14.967 3.265 1.00 0.00 ? 62 GLU A CB 8 ATOM 11592 C CG . GLU A 1 62 ? 8.584 15.341 4.730 1.00 0.00 ? 62 GLU A CG 8 ATOM 11593 C CD . GLU A 1 62 ? 9.936 15.952 5.041 1.00 0.00 ? 62 GLU A CD 8 ATOM 11594 O OE1 . GLU A 1 62 ? 10.178 17.104 4.623 1.00 0.00 ? 62 GLU A OE1 8 ATOM 11595 O OE2 . GLU A 1 62 ? 10.753 15.278 5.704 1.00 0.00 ? 62 GLU A OE2 8 ATOM 11596 H H . GLU A 1 62 ? 6.212 16.009 2.564 1.00 0.00 ? 62 GLU A H 8 ATOM 11597 H HA . GLU A 1 62 ? 7.323 13.590 2.062 1.00 0.00 ? 62 GLU A HA 8 ATOM 11598 H HB2 . GLU A 1 62 ? 9.295 14.383 2.974 1.00 0.00 ? 62 GLU A HB2 8 ATOM 11599 H HB3 . GLU A 1 62 ? 8.415 15.877 2.684 1.00 0.00 ? 62 GLU A HB3 8 ATOM 11600 H HG2 . GLU A 1 62 ? 7.816 16.055 4.987 1.00 0.00 ? 62 GLU A HG2 8 ATOM 11601 H HG3 . GLU A 1 62 ? 8.461 14.451 5.330 1.00 0.00 ? 62 GLU A HG3 8 ATOM 11602 N N . LEU A 1 63 ? 6.127 13.682 5.100 1.00 0.00 ? 63 LEU A N 8 ATOM 11603 C CA . LEU A 1 63 ? 5.775 12.867 6.258 1.00 0.00 ? 63 LEU A CA 8 ATOM 11604 C C . LEU A 1 63 ? 4.808 11.755 5.867 1.00 0.00 ? 63 LEU A C 8 ATOM 11605 O O . LEU A 1 63 ? 5.059 10.580 6.134 1.00 0.00 ? 63 LEU A O 8 ATOM 11606 C CB . LEU A 1 63 ? 5.153 13.740 7.349 1.00 0.00 ? 63 LEU A CB 8 ATOM 11607 C CG . LEU A 1 63 ? 6.111 14.672 8.091 1.00 0.00 ? 63 LEU A CG 8 ATOM 11608 C CD1 . LEU A 1 63 ? 5.336 15.694 8.908 1.00 0.00 ? 63 LEU A CD1 8 ATOM 11609 C CD2 . LEU A 1 63 ? 7.049 13.873 8.983 1.00 0.00 ? 63 LEU A CD2 8 ATOM 11610 H H . LEU A 1 63 ? 5.802 14.605 5.049 1.00 0.00 ? 63 LEU A H 8 ATOM 11611 H HA . LEU A 1 63 ? 6.682 12.422 6.637 1.00 0.00 ? 63 LEU A HA 8 ATOM 11612 H HB2 . LEU A 1 63 ? 4.388 14.348 6.891 1.00 0.00 ? 63 LEU A HB2 8 ATOM 11613 H HB3 . LEU A 1 63 ? 4.699 13.083 8.078 1.00 0.00 ? 63 LEU A HB3 8 ATOM 11614 H HG . LEU A 1 63 ? 6.711 15.209 7.369 1.00 0.00 ? 63 LEU A HG 8 ATOM 11615 H HD11 . LEU A 1 63 ? 4.702 15.182 9.616 1.00 0.00 ? 63 LEU A HD11 8 ATOM 11616 H HD12 . LEU A 1 63 ? 4.728 16.296 8.249 1.00 0.00 ? 63 LEU A HD12 8 ATOM 11617 H HD13 . LEU A 1 63 ? 6.029 16.330 9.439 1.00 0.00 ? 63 LEU A HD13 8 ATOM 11618 H HD21 . LEU A 1 63 ? 8.041 14.297 8.933 1.00 0.00 ? 63 LEU A HD21 8 ATOM 11619 H HD22 . LEU A 1 63 ? 7.079 12.847 8.647 1.00 0.00 ? 63 LEU A HD22 8 ATOM 11620 H HD23 . LEU A 1 63 ? 6.694 13.908 10.002 1.00 0.00 ? 63 LEU A HD23 8 ATOM 11621 N N . GLN A 1 64 ? 3.703 12.134 5.233 1.00 0.00 ? 64 GLN A N 8 ATOM 11622 C CA . GLN A 1 64 ? 2.699 11.167 4.804 1.00 0.00 ? 64 GLN A CA 8 ATOM 11623 C C . GLN A 1 64 ? 3.290 10.172 3.811 1.00 0.00 ? 64 GLN A C 8 ATOM 11624 O O . GLN A 1 64 ? 2.962 8.986 3.836 1.00 0.00 ? 64 GLN A O 8 ATOM 11625 C CB . GLN A 1 64 ? 1.505 11.886 4.174 1.00 0.00 ? 64 GLN A CB 8 ATOM 11626 C CG . GLN A 1 64 ? 0.201 11.111 4.284 1.00 0.00 ? 64 GLN A CG 8 ATOM 11627 C CD . GLN A 1 64 ? -0.133 10.731 5.713 1.00 0.00 ? 64 GLN A CD 8 ATOM 11628 O OE1 . GLN A 1 64 ? 0.417 9.773 6.258 1.00 0.00 ? 64 GLN A OE1 8 ATOM 11629 N NE2 . GLN A 1 64 ? -1.038 11.481 6.330 1.00 0.00 ? 64 GLN A NE2 8 ATOM 11630 H H . GLN A 1 64 ? 3.560 13.085 5.049 1.00 0.00 ? 64 GLN A H 8 ATOM 11631 H HA . GLN A 1 64 ? 2.364 10.628 5.677 1.00 0.00 ? 64 GLN A HA 8 ATOM 11632 H HB2 . GLN A 1 64 ? 1.374 12.839 4.664 1.00 0.00 ? 64 GLN A HB2 8 ATOM 11633 H HB3 . GLN A 1 64 ? 1.711 12.052 3.127 1.00 0.00 ? 64 GLN A HB3 8 ATOM 11634 H HG2 . GLN A 1 64 ? -0.600 11.721 3.894 1.00 0.00 ? 64 GLN A HG2 8 ATOM 11635 H HG3 . GLN A 1 64 ? 0.283 10.209 3.696 1.00 0.00 ? 64 GLN A HG3 8 ATOM 11636 H HE21 . GLN A 1 64 ? -1.436 12.227 5.833 1.00 0.00 ? 64 GLN A HE21 8 ATOM 11637 H HE22 . GLN A 1 64 ? -1.274 11.257 7.253 1.00 0.00 ? 64 GLN A HE22 8 ATOM 11638 N N . ARG A 1 65 ? 4.163 10.663 2.938 1.00 0.00 ? 65 ARG A N 8 ATOM 11639 C CA . ARG A 1 65 ? 4.799 9.817 1.935 1.00 0.00 ? 65 ARG A CA 8 ATOM 11640 C C . ARG A 1 65 ? 5.573 8.680 2.595 1.00 0.00 ? 65 ARG A C 8 ATOM 11641 O O . ARG A 1 65 ? 5.661 7.578 2.052 1.00 0.00 ? 65 ARG A O 8 ATOM 11642 C CB . ARG A 1 65 ? 5.739 10.647 1.058 1.00 0.00 ? 65 ARG A CB 8 ATOM 11643 C CG . ARG A 1 65 ? 6.203 9.922 -0.194 1.00 0.00 ? 65 ARG A CG 8 ATOM 11644 C CD . ARG A 1 65 ? 6.761 10.891 -1.225 1.00 0.00 ? 65 ARG A CD 8 ATOM 11645 N NE . ARG A 1 65 ? 8.158 11.225 -0.962 1.00 0.00 ? 65 ARG A NE 8 ATOM 11646 C CZ . ARG A 1 65 ? 9.157 10.357 -1.086 1.00 0.00 ? 65 ARG A CZ 8 ATOM 11647 N NH1 . ARG A 1 65 ? 8.913 9.111 -1.467 1.00 0.00 ? 65 ARG A NH1 8 ATOM 11648 N NH2 . ARG A 1 65 ? 10.402 10.736 -0.830 1.00 0.00 ? 65 ARG A NH2 8 ATOM 11649 H H . ARG A 1 65 ? 4.385 11.617 2.968 1.00 0.00 ? 65 ARG A H 8 ATOM 11650 H HA . ARG A 1 65 ? 4.022 9.396 1.315 1.00 0.00 ? 65 ARG A HA 8 ATOM 11651 H HB2 . ARG A 1 65 ? 5.228 11.550 0.756 1.00 0.00 ? 65 ARG A HB2 8 ATOM 11652 H HB3 . ARG A 1 65 ? 6.611 10.913 1.638 1.00 0.00 ? 65 ARG A HB3 8 ATOM 11653 H HG2 . ARG A 1 65 ? 6.976 9.216 0.075 1.00 0.00 ? 65 ARG A HG2 8 ATOM 11654 H HG3 . ARG A 1 65 ? 5.365 9.395 -0.624 1.00 0.00 ? 65 ARG A HG3 8 ATOM 11655 H HD2 . ARG A 1 65 ? 6.686 10.438 -2.202 1.00 0.00 ? 65 ARG A HD2 8 ATOM 11656 H HD3 . ARG A 1 65 ? 6.174 11.797 -1.202 1.00 0.00 ? 65 ARG A HD3 8 ATOM 11657 H HE . ARG A 1 65 ? 8.361 12.140 -0.680 1.00 0.00 ? 65 ARG A HE 8 ATOM 11658 H HH11 . ARG A 1 65 ? 7.976 8.823 -1.662 1.00 0.00 ? 65 ARG A HH11 8 ATOM 11659 H HH12 . ARG A 1 65 ? 9.667 8.460 -1.561 1.00 0.00 ? 65 ARG A HH12 8 ATOM 11660 H HH21 . ARG A 1 65 ? 10.590 11.675 -0.543 1.00 0.00 ? 65 ARG A HH21 8 ATOM 11661 H HH22 . ARG A 1 65 ? 11.153 10.083 -0.923 1.00 0.00 ? 65 ARG A HH22 8 ATOM 11662 N N . ASP A 1 66 ? 6.133 8.955 3.768 1.00 0.00 ? 66 ASP A N 8 ATOM 11663 C CA . ASP A 1 66 ? 6.900 7.955 4.502 1.00 0.00 ? 66 ASP A CA 8 ATOM 11664 C C . ASP A 1 66 ? 6.053 6.717 4.778 1.00 0.00 ? 66 ASP A C 8 ATOM 11665 O O . ASP A 1 66 ? 6.283 5.654 4.202 1.00 0.00 ? 66 ASP A O 8 ATOM 11666 C CB . ASP A 1 66 ? 7.414 8.541 5.818 1.00 0.00 ? 66 ASP A CB 8 ATOM 11667 C CG . ASP A 1 66 ? 8.192 7.530 6.637 1.00 0.00 ? 66 ASP A CG 8 ATOM 11668 O OD1 . ASP A 1 66 ? 7.963 6.316 6.455 1.00 0.00 ? 66 ASP A OD1 8 ATOM 11669 O OD2 . ASP A 1 66 ? 9.032 7.953 7.459 1.00 0.00 ? 66 ASP A OD2 8 ATOM 11670 H H . ASP A 1 66 ? 6.028 9.852 4.149 1.00 0.00 ? 66 ASP A H 8 ATOM 11671 H HA . ASP A 1 66 ? 7.743 7.670 3.892 1.00 0.00 ? 66 ASP A HA 8 ATOM 11672 H HB2 . ASP A 1 66 ? 8.062 9.378 5.603 1.00 0.00 ? 66 ASP A HB2 8 ATOM 11673 H HB3 . ASP A 1 66 ? 6.573 8.882 6.405 1.00 0.00 ? 66 ASP A HB3 8 ATOM 11674 N N . SER A 1 67 ? 5.074 6.861 5.665 1.00 0.00 ? 67 SER A N 8 ATOM 11675 C CA . SER A 1 67 ? 4.195 5.753 6.022 1.00 0.00 ? 67 SER A CA 8 ATOM 11676 C C . SER A 1 67 ? 3.635 5.080 4.773 1.00 0.00 ? 67 SER A C 8 ATOM 11677 O O . SER A 1 67 ? 3.278 3.902 4.795 1.00 0.00 ? 67 SER A O 8 ATOM 11678 C CB . SER A 1 67 ? 3.049 6.247 6.906 1.00 0.00 ? 67 SER A CB 8 ATOM 11679 O OG . SER A 1 67 ? 2.317 7.276 6.264 1.00 0.00 ? 67 SER A OG 8 ATOM 11680 H H . SER A 1 67 ? 4.940 7.734 6.091 1.00 0.00 ? 67 SER A H 8 ATOM 11681 H HA . SER A 1 67 ? 4.779 5.032 6.574 1.00 0.00 ? 67 SER A HA 8 ATOM 11682 H HB2 . SER A 1 67 ? 2.382 5.426 7.119 1.00 0.00 ? 67 SER A HB2 8 ATOM 11683 H HB3 . SER A 1 67 ? 3.452 6.632 7.832 1.00 0.00 ? 67 SER A HB3 8 ATOM 11684 H HG . SER A 1 67 ? 2.079 7.949 6.906 1.00 0.00 ? 67 SER A HG 8 ATOM 11685 N N . HIS A 1 68 ? 3.562 5.837 3.683 1.00 0.00 ? 68 HIS A N 8 ATOM 11686 C CA . HIS A 1 68 ? 3.045 5.315 2.422 1.00 0.00 ? 68 HIS A CA 8 ATOM 11687 C C . HIS A 1 68 ? 4.004 4.288 1.827 1.00 0.00 ? 68 HIS A C 8 ATOM 11688 O O . HIS A 1 68 ? 3.580 3.340 1.166 1.00 0.00 ? 68 HIS A O 8 ATOM 11689 C CB . HIS A 1 68 ? 2.818 6.454 1.428 1.00 0.00 ? 68 HIS A CB 8 ATOM 11690 C CG . HIS A 1 68 ? 1.445 7.049 1.502 1.00 0.00 ? 68 HIS A CG 8 ATOM 11691 N ND1 . HIS A 1 68 ? 0.298 6.326 1.254 1.00 0.00 ? 68 HIS A ND1 8 ATOM 11692 C CD2 . HIS A 1 68 ? 1.040 8.305 1.800 1.00 0.00 ? 68 HIS A CD2 8 ATOM 11693 C CE1 . HIS A 1 68 ? -0.754 7.112 1.395 1.00 0.00 ? 68 HIS A CE1 8 ATOM 11694 N NE2 . HIS A 1 68 ? -0.332 8.318 1.726 1.00 0.00 ? 68 HIS A NE2 8 ATOM 11695 H H . HIS A 1 68 ? 3.862 6.769 3.727 1.00 0.00 ? 68 HIS A H 8 ATOM 11696 H HA . HIS A 1 68 ? 2.101 4.832 2.625 1.00 0.00 ? 68 HIS A HA 8 ATOM 11697 H HB2 . HIS A 1 68 ? 3.531 7.242 1.625 1.00 0.00 ? 68 HIS A HB2 8 ATOM 11698 H HB3 . HIS A 1 68 ? 2.967 6.083 0.425 1.00 0.00 ? 68 HIS A HB3 8 ATOM 11699 H HD1 . HIS A 1 68 ? 0.261 5.378 1.010 1.00 0.00 ? 68 HIS A HD1 8 ATOM 11700 H HD2 . HIS A 1 68 ? 1.676 9.143 2.050 1.00 0.00 ? 68 HIS A HD2 8 ATOM 11701 H HE1 . HIS A 1 68 ? -1.785 6.819 1.262 1.00 0.00 ? 68 HIS A HE1 8 ATOM 11702 H HE2 . HIS A 1 68 ? -0.899 9.113 1.807 1.00 0.00 ? 68 HIS A HE2 8 ATOM 11703 N N . MET A 1 69 ? 5.297 4.485 2.064 1.00 0.00 ? 69 MET A N 8 ATOM 11704 C CA . MET A 1 69 ? 6.314 3.575 1.551 1.00 0.00 ? 69 MET A CA 8 ATOM 11705 C C . MET A 1 69 ? 6.721 2.559 2.613 1.00 0.00 ? 69 MET A C 8 ATOM 11706 O O . MET A 1 69 ? 7.119 1.438 2.295 1.00 0.00 ? 69 MET A O 8 ATOM 11707 C CB . MET A 1 69 ? 7.541 4.360 1.083 1.00 0.00 ? 69 MET A CB 8 ATOM 11708 C CG . MET A 1 69 ? 7.399 4.932 -0.318 1.00 0.00 ? 69 MET A CG 8 ATOM 11709 S SD . MET A 1 69 ? 7.207 3.652 -1.574 1.00 0.00 ? 69 MET A SD 8 ATOM 11710 C CE . MET A 1 69 ? 8.600 2.592 -1.194 1.00 0.00 ? 69 MET A CE 8 ATOM 11711 H H . MET A 1 69 ? 5.573 5.259 2.597 1.00 0.00 ? 69 MET A H 8 ATOM 11712 H HA . MET A 1 69 ? 5.893 3.048 0.708 1.00 0.00 ? 69 MET A HA 8 ATOM 11713 H HB2 . MET A 1 69 ? 7.713 5.178 1.766 1.00 0.00 ? 69 MET A HB2 8 ATOM 11714 H HB3 . MET A 1 69 ? 8.400 3.705 1.096 1.00 0.00 ? 69 MET A HB3 8 ATOM 11715 H HG2 . MET A 1 69 ? 6.532 5.575 -0.345 1.00 0.00 ? 69 MET A HG2 8 ATOM 11716 H HG3 . MET A 1 69 ? 8.282 5.511 -0.547 1.00 0.00 ? 69 MET A HG3 8 ATOM 11717 H HE1 . MET A 1 69 ? 9.506 3.179 -1.182 1.00 0.00 ? 69 MET A HE1 8 ATOM 11718 H HE2 . MET A 1 69 ? 8.452 2.138 -0.226 1.00 0.00 ? 69 MET A HE2 8 ATOM 11719 H HE3 . MET A 1 69 ? 8.681 1.821 -1.946 1.00 0.00 ? 69 MET A HE3 8 ATOM 11720 N N . LYS A 1 70 ? 6.619 2.958 3.877 1.00 0.00 ? 70 LYS A N 8 ATOM 11721 C CA . LYS A 1 70 ? 6.975 2.083 4.987 1.00 0.00 ? 70 LYS A CA 8 ATOM 11722 C C . LYS A 1 70 ? 6.155 0.797 4.951 1.00 0.00 ? 70 LYS A C 8 ATOM 11723 O O . LYS A 1 70 ? 6.631 -0.264 5.354 1.00 0.00 ? 70 LYS A O 8 ATOM 11724 C CB . LYS A 1 70 ? 6.757 2.802 6.320 1.00 0.00 ? 70 LYS A CB 8 ATOM 11725 C CG . LYS A 1 70 ? 5.377 2.577 6.914 1.00 0.00 ? 70 LYS A CG 8 ATOM 11726 C CD . LYS A 1 70 ? 5.268 3.167 8.310 1.00 0.00 ? 70 LYS A CD 8 ATOM 11727 C CE . LYS A 1 70 ? 6.065 2.358 9.321 1.00 0.00 ? 70 LYS A CE 8 ATOM 11728 N NZ . LYS A 1 70 ? 7.465 2.849 9.444 1.00 0.00 ? 70 LYS A NZ 8 ATOM 11729 H H . LYS A 1 70 ? 6.295 3.864 4.067 1.00 0.00 ? 70 LYS A H 8 ATOM 11730 H HA . LYS A 1 70 ? 8.020 1.832 4.890 1.00 0.00 ? 70 LYS A HA 8 ATOM 11731 H HB2 . LYS A 1 70 ? 7.492 2.451 7.029 1.00 0.00 ? 70 LYS A HB2 8 ATOM 11732 H HB3 . LYS A 1 70 ? 6.892 3.863 6.170 1.00 0.00 ? 70 LYS A HB3 8 ATOM 11733 H HG2 . LYS A 1 70 ? 4.641 3.046 6.278 1.00 0.00 ? 70 LYS A HG2 8 ATOM 11734 H HG3 . LYS A 1 70 ? 5.186 1.515 6.966 1.00 0.00 ? 70 LYS A HG3 8 ATOM 11735 H HD2 . LYS A 1 70 ? 5.648 4.178 8.295 1.00 0.00 ? 70 LYS A HD2 8 ATOM 11736 H HD3 . LYS A 1 70 ? 4.228 3.176 8.607 1.00 0.00 ? 70 LYS A HD3 8 ATOM 11737 H HE2 . LYS A 1 70 ? 5.581 2.431 10.283 1.00 0.00 ? 70 LYS A HE2 8 ATOM 11738 H HE3 . LYS A 1 70 ? 6.081 1.326 9.004 1.00 0.00 ? 70 LYS A HE3 8 ATOM 11739 H HZ1 . LYS A 1 70 ? 7.540 3.813 9.063 1.00 0.00 ? 70 LYS A HZ1 8 ATOM 11740 H HZ2 . LYS A 1 70 ? 8.109 2.228 8.915 1.00 0.00 ? 70 LYS A HZ2 8 ATOM 11741 H HZ3 . LYS A 1 70 ? 7.754 2.859 10.443 1.00 0.00 ? 70 LYS A HZ3 8 ATOM 11742 N N . GLN A 1 71 ? 4.922 0.900 4.465 1.00 0.00 ? 71 GLN A N 8 ATOM 11743 C CA . GLN A 1 71 ? 4.037 -0.255 4.375 1.00 0.00 ? 71 GLN A CA 8 ATOM 11744 C C . GLN A 1 71 ? 4.389 -1.118 3.168 1.00 0.00 ? 71 GLN A C 8 ATOM 11745 O O . GLN A 1 71 ? 4.202 -2.336 3.186 1.00 0.00 ? 71 GLN A O 8 ATOM 11746 C CB . GLN A 1 71 ? 2.579 0.198 4.286 1.00 0.00 ? 71 GLN A CB 8 ATOM 11747 C CG . GLN A 1 71 ? 1.923 0.405 5.641 1.00 0.00 ? 71 GLN A CG 8 ATOM 11748 C CD . GLN A 1 71 ? 1.865 -0.868 6.463 1.00 0.00 ? 71 GLN A CD 8 ATOM 11749 O OE1 . GLN A 1 71 ? 1.027 -1.738 6.222 1.00 0.00 ? 71 GLN A OE1 8 ATOM 11750 N NE2 . GLN A 1 71 ? 2.757 -0.984 7.439 1.00 0.00 ? 71 GLN A NE2 8 ATOM 11751 H H . GLN A 1 71 ? 4.600 1.773 4.159 1.00 0.00 ? 71 GLN A H 8 ATOM 11752 H HA . GLN A 1 71 ? 4.168 -0.843 5.272 1.00 0.00 ? 71 GLN A HA 8 ATOM 11753 H HB2 . GLN A 1 71 ? 2.537 1.130 3.743 1.00 0.00 ? 71 GLN A HB2 8 ATOM 11754 H HB3 . GLN A 1 71 ? 2.015 -0.549 3.748 1.00 0.00 ? 71 GLN A HB3 8 ATOM 11755 H HG2 . GLN A 1 71 ? 2.486 1.144 6.191 1.00 0.00 ? 71 GLN A HG2 8 ATOM 11756 H HG3 . GLN A 1 71 ? 0.915 0.763 5.488 1.00 0.00 ? 71 GLN A HG3 8 ATOM 11757 H HE21 . GLN A 1 71 ? 3.394 -0.250 7.573 1.00 0.00 ? 71 GLN A HE21 8 ATOM 11758 H HE22 . GLN A 1 71 ? 2.742 -1.796 7.986 1.00 0.00 ? 71 GLN A HE22 8 ATOM 11759 N N . LEU A 1 72 ? 4.899 -0.481 2.120 1.00 0.00 ? 72 LEU A N 8 ATOM 11760 C CA . LEU A 1 72 ? 5.276 -1.190 0.902 1.00 0.00 ? 72 LEU A CA 8 ATOM 11761 C C . LEU A 1 72 ? 6.429 -2.153 1.168 1.00 0.00 ? 72 LEU A C 8 ATOM 11762 O O . LEU A 1 72 ? 6.351 -3.338 0.842 1.00 0.00 ? 72 LEU A O 8 ATOM 11763 C CB . LEU A 1 72 ? 5.670 -0.194 -0.190 1.00 0.00 ? 72 LEU A CB 8 ATOM 11764 C CG . LEU A 1 72 ? 6.138 -0.800 -1.514 1.00 0.00 ? 72 LEU A CG 8 ATOM 11765 C CD1 . LEU A 1 72 ? 5.287 -2.007 -1.879 1.00 0.00 ? 72 LEU A CD1 8 ATOM 11766 C CD2 . LEU A 1 72 ? 6.094 0.241 -2.622 1.00 0.00 ? 72 LEU A CD2 8 ATOM 11767 H H . LEU A 1 72 ? 5.025 0.490 2.165 1.00 0.00 ? 72 LEU A H 8 ATOM 11768 H HA . LEU A 1 72 ? 4.420 -1.757 0.570 1.00 0.00 ? 72 LEU A HA 8 ATOM 11769 H HB2 . LEU A 1 72 ? 4.812 0.427 -0.396 1.00 0.00 ? 72 LEU A HB2 8 ATOM 11770 H HB3 . LEU A 1 72 ? 6.472 0.419 0.196 1.00 0.00 ? 72 LEU A HB3 8 ATOM 11771 H HG . LEU A 1 72 ? 7.161 -1.134 -1.408 1.00 0.00 ? 72 LEU A HG 8 ATOM 11772 H HD11 . LEU A 1 72 ? 4.268 -1.692 -2.042 1.00 0.00 ? 72 LEU A HD11 8 ATOM 11773 H HD12 . LEU A 1 72 ? 5.318 -2.726 -1.073 1.00 0.00 ? 72 LEU A HD12 8 ATOM 11774 H HD13 . LEU A 1 72 ? 5.674 -2.460 -2.780 1.00 0.00 ? 72 LEU A HD13 8 ATOM 11775 H HD21 . LEU A 1 72 ? 7.101 0.477 -2.935 1.00 0.00 ? 72 LEU A HD21 8 ATOM 11776 H HD22 . LEU A 1 72 ? 5.612 1.136 -2.256 1.00 0.00 ? 72 LEU A HD22 8 ATOM 11777 H HD23 . LEU A 1 72 ? 5.538 -0.150 -3.461 1.00 0.00 ? 72 LEU A HD23 8 ATOM 11778 N N . LEU A 1 73 ? 7.498 -1.637 1.765 1.00 0.00 ? 73 LEU A N 8 ATOM 11779 C CA . LEU A 1 73 ? 8.668 -2.451 2.077 1.00 0.00 ? 73 LEU A CA 8 ATOM 11780 C C . LEU A 1 73 ? 8.290 -3.623 2.978 1.00 0.00 ? 73 LEU A C 8 ATOM 11781 O O . LEU A 1 73 ? 8.910 -4.686 2.924 1.00 0.00 ? 73 LEU A O 8 ATOM 11782 C CB . LEU A 1 73 ? 9.741 -1.598 2.755 1.00 0.00 ? 73 LEU A CB 8 ATOM 11783 C CG . LEU A 1 73 ? 9.959 -0.203 2.169 1.00 0.00 ? 73 LEU A CG 8 ATOM 11784 C CD1 . LEU A 1 73 ? 11.085 0.513 2.899 1.00 0.00 ? 73 LEU A CD1 8 ATOM 11785 C CD2 . LEU A 1 73 ? 10.257 -0.290 0.680 1.00 0.00 ? 73 LEU A CD2 8 ATOM 11786 H H . LEU A 1 73 ? 7.503 -0.686 2.001 1.00 0.00 ? 73 LEU A H 8 ATOM 11787 H HA . LEU A 1 73 ? 9.060 -2.838 1.149 1.00 0.00 ? 73 LEU A HA 8 ATOM 11788 H HB2 . LEU A 1 73 ? 9.465 -1.482 3.792 1.00 0.00 ? 73 LEU A HB2 8 ATOM 11789 H HB3 . LEU A 1 73 ? 10.677 -2.134 2.692 1.00 0.00 ? 73 LEU A HB3 8 ATOM 11790 H HG . LEU A 1 73 ? 9.056 0.379 2.297 1.00 0.00 ? 73 LEU A HG 8 ATOM 11791 H HD11 . LEU A 1 73 ? 11.800 0.885 2.181 1.00 0.00 ? 73 LEU A HD11 8 ATOM 11792 H HD12 . LEU A 1 73 ? 11.574 -0.177 3.571 1.00 0.00 ? 73 LEU A HD12 8 ATOM 11793 H HD13 . LEU A 1 73 ? 10.680 1.339 3.465 1.00 0.00 ? 73 LEU A HD13 8 ATOM 11794 H HD21 . LEU A 1 73 ? 10.213 0.697 0.246 1.00 0.00 ? 73 LEU A HD21 8 ATOM 11795 H HD22 . LEU A 1 73 ? 9.524 -0.926 0.203 1.00 0.00 ? 73 LEU A HD22 8 ATOM 11796 H HD23 . LEU A 1 73 ? 11.243 -0.705 0.534 1.00 0.00 ? 73 LEU A HD23 8 ATOM 11797 N N . LEU A 1 74 ? 7.267 -3.424 3.802 1.00 0.00 ? 74 LEU A N 8 ATOM 11798 C CA . LEU A 1 74 ? 6.805 -4.465 4.713 1.00 0.00 ? 74 LEU A CA 8 ATOM 11799 C C . LEU A 1 74 ? 5.986 -5.515 3.968 1.00 0.00 ? 74 LEU A C 8 ATOM 11800 O O . LEU A 1 74 ? 6.366 -6.685 3.910 1.00 0.00 ? 74 LEU A O 8 ATOM 11801 C CB . LEU A 1 74 ? 5.967 -3.852 5.836 1.00 0.00 ? 74 LEU A CB 8 ATOM 11802 C CG . LEU A 1 74 ? 6.748 -3.289 7.025 1.00 0.00 ? 74 LEU A CG 8 ATOM 11803 C CD1 . LEU A 1 74 ? 5.848 -2.422 7.892 1.00 0.00 ? 74 LEU A CD1 8 ATOM 11804 C CD2 . LEU A 1 74 ? 7.357 -4.417 7.845 1.00 0.00 ? 74 LEU A CD2 8 ATOM 11805 H H . LEU A 1 74 ? 6.812 -2.556 3.799 1.00 0.00 ? 74 LEU A H 8 ATOM 11806 H HA . LEU A 1 74 ? 7.674 -4.941 5.141 1.00 0.00 ? 74 LEU A HA 8 ATOM 11807 H HB2 . LEU A 1 74 ? 5.384 -3.048 5.414 1.00 0.00 ? 74 LEU A HB2 8 ATOM 11808 H HB3 . LEU A 1 74 ? 5.303 -4.619 6.209 1.00 0.00 ? 74 LEU A HB3 8 ATOM 11809 H HG . LEU A 1 74 ? 7.554 -2.669 6.657 1.00 0.00 ? 74 LEU A HG 8 ATOM 11810 H HD11 . LEU A 1 74 ? 5.577 -1.530 7.349 1.00 0.00 ? 74 LEU A HD11 8 ATOM 11811 H HD12 . LEU A 1 74 ? 6.374 -2.149 8.795 1.00 0.00 ? 74 LEU A HD12 8 ATOM 11812 H HD13 . LEU A 1 74 ? 4.956 -2.974 8.149 1.00 0.00 ? 74 LEU A HD13 8 ATOM 11813 H HD21 . LEU A 1 74 ? 7.856 -5.112 7.186 1.00 0.00 ? 74 LEU A HD21 8 ATOM 11814 H HD22 . LEU A 1 74 ? 6.576 -4.931 8.386 1.00 0.00 ? 74 LEU A HD22 8 ATOM 11815 H HD23 . LEU A 1 74 ? 8.071 -4.008 8.544 1.00 0.00 ? 74 LEU A HD23 8 ATOM 11816 N N . ILE A 1 75 ? 4.864 -5.089 3.399 1.00 0.00 ? 75 ILE A N 8 ATOM 11817 C CA . ILE A 1 75 ? 3.994 -5.992 2.655 1.00 0.00 ? 75 ILE A CA 8 ATOM 11818 C C . ILE A 1 75 ? 4.795 -6.847 1.679 1.00 0.00 ? 75 ILE A C 8 ATOM 11819 O O . ILE A 1 75 ? 4.453 -8.001 1.425 1.00 0.00 ? 75 ILE A O 8 ATOM 11820 C CB . ILE A 1 75 ? 2.914 -5.219 1.877 1.00 0.00 ? 75 ILE A CB 8 ATOM 11821 C CG1 . ILE A 1 75 ? 1.945 -4.538 2.845 1.00 0.00 ? 75 ILE A CG1 8 ATOM 11822 C CG2 . ILE A 1 75 ? 2.165 -6.154 0.940 1.00 0.00 ? 75 ILE A CG2 8 ATOM 11823 C CD1 . ILE A 1 75 ? 0.897 -3.692 2.157 1.00 0.00 ? 75 ILE A CD1 8 ATOM 11824 H H . ILE A 1 75 ? 4.615 -4.145 3.481 1.00 0.00 ? 75 ILE A H 8 ATOM 11825 H HA . ILE A 1 75 ? 3.502 -6.641 3.366 1.00 0.00 ? 75 ILE A HA 8 ATOM 11826 H HB . ILE A 1 75 ? 3.403 -4.465 1.278 1.00 0.00 ? 75 ILE A HB 8 ATOM 11827 H HG12 . ILE A 1 75 ? 1.434 -5.292 3.423 1.00 0.00 ? 75 ILE A HG12 8 ATOM 11828 H HG13 . ILE A 1 75 ? 2.505 -3.897 3.511 1.00 0.00 ? 75 ILE A HG13 8 ATOM 11829 H HG21 . ILE A 1 75 ? 2.354 -7.178 1.226 1.00 0.00 ? 75 ILE A HG21 8 ATOM 11830 H HG22 . ILE A 1 75 ? 1.105 -5.954 1.003 1.00 0.00 ? 75 ILE A HG22 8 ATOM 11831 H HG23 . ILE A 1 75 ? 2.502 -5.995 -0.074 1.00 0.00 ? 75 ILE A HG23 8 ATOM 11832 H HD11 . ILE A 1 75 ? -0.015 -4.261 2.052 1.00 0.00 ? 75 ILE A HD11 8 ATOM 11833 H HD12 . ILE A 1 75 ? 0.704 -2.807 2.744 1.00 0.00 ? 75 ILE A HD12 8 ATOM 11834 H HD13 . ILE A 1 75 ? 1.254 -3.403 1.178 1.00 0.00 ? 75 ILE A HD13 8 ATOM 11835 N N . GLN A 1 76 ? 5.863 -6.271 1.136 1.00 0.00 ? 76 GLN A N 8 ATOM 11836 C CA . GLN A 1 76 ? 6.714 -6.981 0.188 1.00 0.00 ? 76 GLN A CA 8 ATOM 11837 C C . GLN A 1 76 ? 7.337 -8.214 0.834 1.00 0.00 ? 76 GLN A C 8 ATOM 11838 O O . GLN A 1 76 ? 7.076 -9.343 0.420 1.00 0.00 ? 76 GLN A O 8 ATOM 11839 C CB . GLN A 1 76 ? 7.812 -6.055 -0.337 1.00 0.00 ? 76 GLN A CB 8 ATOM 11840 C CG . GLN A 1 76 ? 7.358 -5.160 -1.479 1.00 0.00 ? 76 GLN A CG 8 ATOM 11841 C CD . GLN A 1 76 ? 8.518 -4.608 -2.283 1.00 0.00 ? 76 GLN A CD 8 ATOM 11842 O OE1 . GLN A 1 76 ? 9.488 -5.313 -2.562 1.00 0.00 ? 76 GLN A OE1 8 ATOM 11843 N NE2 . GLN A 1 76 ? 8.425 -3.338 -2.662 1.00 0.00 ? 76 GLN A NE2 8 ATOM 11844 H H . GLN A 1 76 ? 6.084 -5.348 1.378 1.00 0.00 ? 76 GLN A H 8 ATOM 11845 H HA . GLN A 1 76 ? 6.096 -7.297 -0.639 1.00 0.00 ? 76 GLN A HA 8 ATOM 11846 H HB2 . GLN A 1 76 ? 8.153 -5.426 0.472 1.00 0.00 ? 76 GLN A HB2 8 ATOM 11847 H HB3 . GLN A 1 76 ? 8.637 -6.658 -0.687 1.00 0.00 ? 76 GLN A HB3 8 ATOM 11848 H HG2 . GLN A 1 76 ? 6.724 -5.734 -2.139 1.00 0.00 ? 76 GLN A HG2 8 ATOM 11849 H HG3 . GLN A 1 76 ? 6.797 -4.334 -1.070 1.00 0.00 ? 76 GLN A HG3 8 ATOM 11850 H HE21 . GLN A 1 76 ? 7.624 -2.836 -2.402 1.00 0.00 ? 76 GLN A HE21 8 ATOM 11851 H HE22 . GLN A 1 76 ? 9.161 -2.955 -3.182 1.00 0.00 ? 76 GLN A HE22 8 ATOM 11852 N N . GLU A 1 77 ? 8.164 -7.989 1.851 1.00 0.00 ? 77 GLU A N 8 ATOM 11853 C CA . GLU A 1 77 ? 8.826 -9.083 2.553 1.00 0.00 ? 77 GLU A CA 8 ATOM 11854 C C . GLU A 1 77 ? 7.804 -10.077 3.098 1.00 0.00 ? 77 GLU A C 8 ATOM 11855 O O . GLU A 1 77 ? 8.039 -11.285 3.103 1.00 0.00 ? 77 GLU A O 8 ATOM 11856 C CB . GLU A 1 77 ? 9.684 -8.539 3.696 1.00 0.00 ? 77 GLU A CB 8 ATOM 11857 C CG . GLU A 1 77 ? 8.877 -7.897 4.812 1.00 0.00 ? 77 GLU A CG 8 ATOM 11858 C CD . GLU A 1 77 ? 9.703 -7.640 6.057 1.00 0.00 ? 77 GLU A CD 8 ATOM 11859 O OE1 . GLU A 1 77 ? 10.435 -8.558 6.482 1.00 0.00 ? 77 GLU A OE1 8 ATOM 11860 O OE2 . GLU A 1 77 ? 9.617 -6.523 6.607 1.00 0.00 ? 77 GLU A OE2 8 ATOM 11861 H H . GLU A 1 77 ? 8.333 -7.067 2.135 1.00 0.00 ? 77 GLU A H 8 ATOM 11862 H HA . GLU A 1 77 ? 9.464 -9.592 1.847 1.00 0.00 ? 77 GLU A HA 8 ATOM 11863 H HB2 . GLU A 1 77 ? 10.259 -9.351 4.117 1.00 0.00 ? 77 GLU A HB2 8 ATOM 11864 H HB3 . GLU A 1 77 ? 10.363 -7.799 3.299 1.00 0.00 ? 77 GLU A HB3 8 ATOM 11865 H HG2 . GLU A 1 77 ? 8.485 -6.954 4.458 1.00 0.00 ? 77 GLU A HG2 8 ATOM 11866 H HG3 . GLU A 1 77 ? 8.058 -8.552 5.069 1.00 0.00 ? 77 GLU A HG3 8 ATOM 11867 N N . ARG A 1 78 ? 6.669 -9.559 3.556 1.00 0.00 ? 78 ARG A N 8 ATOM 11868 C CA . ARG A 1 78 ? 5.612 -10.400 4.105 1.00 0.00 ? 78 ARG A CA 8 ATOM 11869 C C . ARG A 1 78 ? 5.064 -11.347 3.042 1.00 0.00 ? 78 ARG A C 8 ATOM 11870 O O . ARG A 1 78 ? 4.802 -12.518 3.316 1.00 0.00 ? 78 ARG A O 8 ATOM 11871 C CB . ARG A 1 78 ? 4.481 -9.534 4.664 1.00 0.00 ? 78 ARG A CB 8 ATOM 11872 C CG . ARG A 1 78 ? 4.826 -8.857 5.980 1.00 0.00 ? 78 ARG A CG 8 ATOM 11873 C CD . ARG A 1 78 ? 4.804 -9.844 7.137 1.00 0.00 ? 78 ARG A CD 8 ATOM 11874 N NE . ARG A 1 78 ? 4.937 -9.177 8.429 1.00 0.00 ? 78 ARG A NE 8 ATOM 11875 C CZ . ARG A 1 78 ? 4.583 -9.731 9.583 1.00 0.00 ? 78 ARG A CZ 8 ATOM 11876 N NH1 . ARG A 1 78 ? 4.076 -10.956 9.606 1.00 0.00 ? 78 ARG A NH1 8 ATOM 11877 N NH2 . ARG A 1 78 ? 4.735 -9.060 10.717 1.00 0.00 ? 78 ARG A NH2 8 ATOM 11878 H H . ARG A 1 78 ? 6.540 -8.588 3.525 1.00 0.00 ? 78 ARG A H 8 ATOM 11879 H HA . ARG A 1 78 ? 6.036 -10.985 4.907 1.00 0.00 ? 78 ARG A HA 8 ATOM 11880 H HB2 . ARG A 1 78 ? 4.240 -8.767 3.943 1.00 0.00 ? 78 ARG A HB2 8 ATOM 11881 H HB3 . ARG A 1 78 ? 3.613 -10.156 4.820 1.00 0.00 ? 78 ARG A HB3 8 ATOM 11882 H HG2 . ARG A 1 78 ? 5.815 -8.429 5.906 1.00 0.00 ? 78 ARG A HG2 8 ATOM 11883 H HG3 . ARG A 1 78 ? 4.107 -8.075 6.172 1.00 0.00 ? 78 ARG A HG3 8 ATOM 11884 H HD2 . ARG A 1 78 ? 3.868 -10.382 7.116 1.00 0.00 ? 78 ARG A HD2 8 ATOM 11885 H HD3 . ARG A 1 78 ? 5.621 -10.540 7.015 1.00 0.00 ? 78 ARG A HD3 8 ATOM 11886 H HE . ARG A 1 78 ? 5.309 -8.271 8.435 1.00 0.00 ? 78 ARG A HE 8 ATOM 11887 H HH11 . ARG A 1 78 ? 3.962 -11.465 8.752 1.00 0.00 ? 78 ARG A HH11 8 ATOM 11888 H HH12 . ARG A 1 78 ? 3.812 -11.372 10.476 1.00 0.00 ? 78 ARG A HH12 8 ATOM 11889 H HH21 . ARG A 1 78 ? 5.117 -8.137 10.704 1.00 0.00 ? 78 ARG A HH21 8 ATOM 11890 H HH22 . ARG A 1 78 ? 4.468 -9.478 11.585 1.00 0.00 ? 78 ARG A HH22 8 ATOM 11891 N N . TRP A 1 79 ? 4.893 -10.832 1.830 1.00 0.00 ? 79 TRP A N 8 ATOM 11892 C CA . TRP A 1 79 ? 4.375 -11.632 0.726 1.00 0.00 ? 79 TRP A CA 8 ATOM 11893 C C . TRP A 1 79 ? 5.334 -12.766 0.378 1.00 0.00 ? 79 TRP A C 8 ATOM 11894 O O . TRP A 1 79 ? 4.933 -13.926 0.289 1.00 0.00 ? 79 TRP A O 8 ATOM 11895 C CB . TRP A 1 79 ? 4.140 -10.752 -0.503 1.00 0.00 ? 79 TRP A CB 8 ATOM 11896 C CG . TRP A 1 79 ? 3.428 -11.461 -1.615 1.00 0.00 ? 79 TRP A CG 8 ATOM 11897 C CD1 . TRP A 1 79 ? 2.621 -12.557 -1.503 1.00 0.00 ? 79 TRP A CD1 8 ATOM 11898 C CD2 . TRP A 1 79 ? 3.460 -11.124 -3.006 1.00 0.00 ? 79 TRP A CD2 8 ATOM 11899 N NE1 . TRP A 1 79 ? 2.149 -12.922 -2.741 1.00 0.00 ? 79 TRP A NE1 8 ATOM 11900 C CE2 . TRP A 1 79 ? 2.649 -12.058 -3.679 1.00 0.00 ? 79 TRP A CE2 8 ATOM 11901 C CE3 . TRP A 1 79 ? 4.093 -10.124 -3.748 1.00 0.00 ? 79 TRP A CE3 8 ATOM 11902 C CZ2 . TRP A 1 79 ? 2.457 -12.020 -5.058 1.00 0.00 ? 79 TRP A CZ2 8 ATOM 11903 C CZ3 . TRP A 1 79 ? 3.902 -10.087 -5.116 1.00 0.00 ? 79 TRP A CZ3 8 ATOM 11904 C CH2 . TRP A 1 79 ? 3.089 -11.029 -5.759 1.00 0.00 ? 79 TRP A CH2 8 ATOM 11905 H H . TRP A 1 79 ? 5.120 -9.891 1.673 1.00 0.00 ? 79 TRP A H 8 ATOM 11906 H HA . TRP A 1 79 ? 3.432 -12.057 1.038 1.00 0.00 ? 79 TRP A HA 8 ATOM 11907 H HB2 . TRP A 1 79 ? 3.546 -9.897 -0.218 1.00 0.00 ? 79 TRP A HB2 8 ATOM 11908 H HB3 . TRP A 1 79 ? 5.094 -10.412 -0.881 1.00 0.00 ? 79 TRP A HB3 8 ATOM 11909 H HD1 . TRP A 1 79 ? 2.397 -13.055 -0.572 1.00 0.00 ? 79 TRP A HD1 8 ATOM 11910 H HE1 . TRP A 1 79 ? 1.551 -13.677 -2.922 1.00 0.00 ? 79 TRP A HE1 8 ATOM 11911 H HE3 . TRP A 1 79 ? 4.723 -9.388 -3.270 1.00 0.00 ? 79 TRP A HE3 8 ATOM 11912 H HZ2 . TRP A 1 79 ? 1.833 -12.739 -5.569 1.00 0.00 ? 79 TRP A HZ2 8 ATOM 11913 H HZ3 . TRP A 1 79 ? 4.384 -9.321 -5.706 1.00 0.00 ? 79 TRP A HZ3 8 ATOM 11914 H HH2 . TRP A 1 79 ? 2.969 -10.963 -6.830 1.00 0.00 ? 79 TRP A HH2 8 ATOM 11915 N N . LYS A 1 80 ? 6.603 -12.423 0.184 1.00 0.00 ? 80 LYS A N 8 ATOM 11916 C CA . LYS A 1 80 ? 7.620 -13.412 -0.152 1.00 0.00 ? 80 LYS A CA 8 ATOM 11917 C C . LYS A 1 80 ? 7.507 -14.637 0.750 1.00 0.00 ? 80 LYS A C 8 ATOM 11918 O O . LYS A 1 80 ? 7.484 -15.771 0.273 1.00 0.00 ? 80 LYS A O 8 ATOM 11919 C CB . LYS A 1 80 ? 9.017 -12.800 -0.027 1.00 0.00 ? 80 LYS A CB 8 ATOM 11920 C CG . LYS A 1 80 ? 9.196 -11.524 -0.830 1.00 0.00 ? 80 LYS A CG 8 ATOM 11921 C CD . LYS A 1 80 ? 10.661 -11.135 -0.941 1.00 0.00 ? 80 LYS A CD 8 ATOM 11922 C CE . LYS A 1 80 ? 10.827 -9.636 -1.135 1.00 0.00 ? 80 LYS A CE 8 ATOM 11923 N NZ . LYS A 1 80 ? 10.464 -9.211 -2.515 1.00 0.00 ? 80 LYS A NZ 8 ATOM 11924 H H . LYS A 1 80 ? 6.862 -11.481 0.269 1.00 0.00 ? 80 LYS A H 8 ATOM 11925 H HA . LYS A 1 80 ? 7.460 -13.718 -1.175 1.00 0.00 ? 80 LYS A HA 8 ATOM 11926 H HB2 . LYS A 1 80 ? 9.207 -12.576 1.013 1.00 0.00 ? 80 LYS A HB2 8 ATOM 11927 H HB3 . LYS A 1 80 ? 9.745 -13.521 -0.370 1.00 0.00 ? 80 LYS A HB3 8 ATOM 11928 H HG2 . LYS A 1 80 ? 8.799 -11.675 -1.823 1.00 0.00 ? 80 LYS A HG2 8 ATOM 11929 H HG3 . LYS A 1 80 ? 8.656 -10.724 -0.343 1.00 0.00 ? 80 LYS A HG3 8 ATOM 11930 H HD2 . LYS A 1 80 ? 11.171 -11.428 -0.036 1.00 0.00 ? 80 LYS A HD2 8 ATOM 11931 H HD3 . LYS A 1 80 ? 11.098 -11.649 -1.785 1.00 0.00 ? 80 LYS A HD3 8 ATOM 11932 H HE2 . LYS A 1 80 ? 10.190 -9.122 -0.431 1.00 0.00 ? 80 LYS A HE2 8 ATOM 11933 H HE3 . LYS A 1 80 ? 11.857 -9.373 -0.945 1.00 0.00 ? 80 LYS A HE3 8 ATOM 11934 H HZ1 . LYS A 1 80 ? 9.948 -8.308 -2.487 1.00 0.00 ? 80 LYS A HZ1 8 ATOM 11935 H HZ2 . LYS A 1 80 ? 9.859 -9.929 -2.962 1.00 0.00 ? 80 LYS A HZ2 8 ATOM 11936 H HZ3 . LYS A 1 80 ? 11.323 -9.090 -3.089 1.00 0.00 ? 80 LYS A HZ3 8 ATOM 11937 N N . ARG A 1 81 ? 7.435 -14.399 2.056 1.00 0.00 ? 81 ARG A N 8 ATOM 11938 C CA . ARG A 1 81 ? 7.325 -15.483 3.025 1.00 0.00 ? 81 ARG A CA 8 ATOM 11939 C C . ARG A 1 81 ? 6.117 -16.364 2.719 1.00 0.00 ? 81 ARG A C 8 ATOM 11940 O O . ARG A 1 81 ? 6.222 -17.590 2.686 1.00 0.00 ? 81 ARG A O 8 ATOM 11941 C CB . ARG A 1 81 ? 7.213 -14.920 4.442 1.00 0.00 ? 81 ARG A CB 8 ATOM 11942 C CG . ARG A 1 81 ? 8.547 -14.504 5.040 1.00 0.00 ? 81 ARG A CG 8 ATOM 11943 C CD . ARG A 1 81 ? 8.476 -14.418 6.556 1.00 0.00 ? 81 ARG A CD 8 ATOM 11944 N NE . ARG A 1 81 ? 9.801 -14.463 7.170 1.00 0.00 ? 81 ARG A NE 8 ATOM 11945 C CZ . ARG A 1 81 ? 10.615 -13.416 7.237 1.00 0.00 ? 81 ARG A CZ 8 ATOM 11946 N NH1 . ARG A 1 81 ? 10.243 -12.249 6.731 1.00 0.00 ? 81 ARG A NH1 8 ATOM 11947 N NH2 . ARG A 1 81 ? 11.805 -13.536 7.811 1.00 0.00 ? 81 ARG A NH2 8 ATOM 11948 H H . ARG A 1 81 ? 7.458 -13.473 2.376 1.00 0.00 ? 81 ARG A H 8 ATOM 11949 H HA . ARG A 1 81 ? 8.219 -16.084 2.955 1.00 0.00 ? 81 ARG A HA 8 ATOM 11950 H HB2 . ARG A 1 81 ? 6.567 -14.054 4.423 1.00 0.00 ? 81 ARG A HB2 8 ATOM 11951 H HB3 . ARG A 1 81 ? 6.775 -15.671 5.082 1.00 0.00 ? 81 ARG A HB3 8 ATOM 11952 H HG2 . ARG A 1 81 ? 9.296 -15.233 4.766 1.00 0.00 ? 81 ARG A HG2 8 ATOM 11953 H HG3 . ARG A 1 81 ? 8.822 -13.538 4.645 1.00 0.00 ? 81 ARG A HG3 8 ATOM 11954 H HD2 . ARG A 1 81 ? 7.995 -13.491 6.829 1.00 0.00 ? 81 ARG A HD2 8 ATOM 11955 H HD3 . ARG A 1 81 ? 7.891 -15.249 6.923 1.00 0.00 ? 81 ARG A HD3 8 ATOM 11956 H HE . ARG A 1 81 ? 10.096 -15.316 7.550 1.00 0.00 ? 81 ARG A HE 8 ATOM 11957 H HH11 . ARG A 1 81 ? 9.346 -12.155 6.299 1.00 0.00 ? 81 ARG A HH11 8 ATOM 11958 H HH12 . ARG A 1 81 ? 10.858 -11.462 6.784 1.00 0.00 ? 81 ARG A HH12 8 ATOM 11959 H HH21 . ARG A 1 81 ? 12.090 -14.414 8.194 1.00 0.00 ? 81 ARG A HH21 8 ATOM 11960 H HH22 . ARG A 1 81 ? 12.418 -12.748 7.861 1.00 0.00 ? 81 ARG A HH22 8 ATOM 11961 N N . ALA A 1 82 ? 4.970 -15.730 2.497 1.00 0.00 ? 82 ALA A N 8 ATOM 11962 C CA . ALA A 1 82 ? 3.743 -16.456 2.193 1.00 0.00 ? 82 ALA A CA 8 ATOM 11963 C C . ALA A 1 82 ? 3.932 -17.375 0.991 1.00 0.00 ? 82 ALA A C 8 ATOM 11964 O O . ALA A 1 82 ? 3.606 -18.561 1.046 1.00 0.00 ? 82 ALA A O 8 ATOM 11965 C CB . ALA A 1 82 ? 2.602 -15.480 1.939 1.00 0.00 ? 82 ALA A CB 8 ATOM 11966 H H . ALA A 1 82 ? 4.949 -14.752 2.537 1.00 0.00 ? 82 ALA A H 8 ATOM 11967 H HA . ALA A 1 82 ? 3.487 -17.055 3.055 1.00 0.00 ? 82 ALA A HA 8 ATOM 11968 H HB1 . ALA A 1 82 ? 2.992 -14.473 1.907 1.00 0.00 ? 82 ALA A HB1 8 ATOM 11969 H HB2 . ALA A 1 82 ? 2.131 -15.715 0.996 1.00 0.00 ? 82 ALA A HB2 8 ATOM 11970 H HB3 . ALA A 1 82 ? 1.877 -15.561 2.735 1.00 0.00 ? 82 ALA A HB3 8 ATOM 11971 N N . LYS A 1 83 ? 4.460 -16.820 -0.095 1.00 0.00 ? 83 LYS A N 8 ATOM 11972 C CA . LYS A 1 83 ? 4.693 -17.590 -1.311 1.00 0.00 ? 83 LYS A CA 8 ATOM 11973 C C . LYS A 1 83 ? 5.103 -19.021 -0.979 1.00 0.00 ? 83 LYS A C 8 ATOM 11974 O O . LYS A 1 83 ? 4.751 -19.959 -1.694 1.00 0.00 ? 83 LYS A O 8 ATOM 11975 C CB . LYS A 1 83 ? 5.776 -16.922 -2.162 1.00 0.00 ? 83 LYS A CB 8 ATOM 11976 C CG . LYS A 1 83 ? 5.436 -15.499 -2.571 1.00 0.00 ? 83 LYS A CG 8 ATOM 11977 C CD . LYS A 1 83 ? 4.360 -15.469 -3.643 1.00 0.00 ? 83 LYS A CD 8 ATOM 11978 C CE . LYS A 1 83 ? 4.960 -15.533 -5.039 1.00 0.00 ? 83 LYS A CE 8 ATOM 11979 N NZ . LYS A 1 83 ? 5.280 -16.931 -5.441 1.00 0.00 ? 83 LYS A NZ 8 ATOM 11980 H H . LYS A 1 83 ? 4.699 -15.870 -0.078 1.00 0.00 ? 83 LYS A H 8 ATOM 11981 H HA . LYS A 1 83 ? 3.771 -17.613 -1.871 1.00 0.00 ? 83 LYS A HA 8 ATOM 11982 H HB2 . LYS A 1 83 ? 6.698 -16.903 -1.600 1.00 0.00 ? 83 LYS A HB2 8 ATOM 11983 H HB3 . LYS A 1 83 ? 5.924 -17.507 -3.059 1.00 0.00 ? 83 LYS A HB3 8 ATOM 11984 H HG2 . LYS A 1 83 ? 5.083 -14.960 -1.705 1.00 0.00 ? 83 LYS A HG2 8 ATOM 11985 H HG3 . LYS A 1 83 ? 6.327 -15.023 -2.955 1.00 0.00 ? 83 LYS A HG3 8 ATOM 11986 H HD2 . LYS A 1 83 ? 3.704 -16.316 -3.506 1.00 0.00 ? 83 LYS A HD2 8 ATOM 11987 H HD3 . LYS A 1 83 ? 3.793 -14.554 -3.546 1.00 0.00 ? 83 LYS A HD3 8 ATOM 11988 H HE2 . LYS A 1 83 ? 4.253 -15.119 -5.740 1.00 0.00 ? 83 LYS A HE2 8 ATOM 11989 H HE3 . LYS A 1 83 ? 5.867 -14.947 -5.053 1.00 0.00 ? 83 LYS A HE3 8 ATOM 11990 H HZ1 . LYS A 1 83 ? 5.027 -17.082 -6.439 1.00 0.00 ? 83 LYS A HZ1 8 ATOM 11991 H HZ2 . LYS A 1 83 ? 4.745 -17.603 -4.854 1.00 0.00 ? 83 LYS A HZ2 8 ATOM 11992 H HZ3 . LYS A 1 83 ? 6.296 -17.114 -5.321 1.00 0.00 ? 83 LYS A HZ3 8 ATOM 11993 N N . ARG A 1 84 ? 5.848 -19.181 0.110 1.00 0.00 ? 84 ARG A N 8 ATOM 11994 C CA . ARG A 1 84 ? 6.305 -20.498 0.536 1.00 0.00 ? 84 ARG A CA 8 ATOM 11995 C C . ARG A 1 84 ? 5.292 -21.148 1.473 1.00 0.00 ? 84 ARG A C 8 ATOM 11996 O O . ARG A 1 84 ? 4.729 -22.198 1.162 1.00 0.00 ? 84 ARG A O 8 ATOM 11997 C CB . ARG A 1 84 ? 7.663 -20.389 1.233 1.00 0.00 ? 84 ARG A CB 8 ATOM 11998 C CG . ARG A 1 84 ? 7.903 -21.472 2.272 1.00 0.00 ? 84 ARG A CG 8 ATOM 11999 C CD . ARG A 1 84 ? 9.387 -21.755 2.448 1.00 0.00 ? 84 ARG A CD 8 ATOM 12000 N NE . ARG A 1 84 ? 9.896 -22.667 1.427 1.00 0.00 ? 84 ARG A NE 8 ATOM 12001 C CZ . ARG A 1 84 ? 11.180 -22.761 1.101 1.00 0.00 ? 84 ARG A CZ 8 ATOM 12002 N NH1 . ARG A 1 84 ? 12.080 -22.005 1.713 1.00 0.00 ? 84 ARG A NH1 8 ATOM 12003 N NH2 . ARG A 1 84 ? 11.566 -23.615 0.161 1.00 0.00 ? 84 ARG A NH2 8 ATOM 12004 H H . ARG A 1 84 ? 6.096 -18.394 0.639 1.00 0.00 ? 84 ARG A H 8 ATOM 12005 H HA . ARG A 1 84 ? 6.411 -21.114 -0.344 1.00 0.00 ? 84 ARG A HA 8 ATOM 12006 H HB2 . ARG A 1 84 ? 8.443 -20.456 0.489 1.00 0.00 ? 84 ARG A HB2 8 ATOM 12007 H HB3 . ARG A 1 84 ? 7.726 -19.429 1.724 1.00 0.00 ? 84 ARG A HB3 8 ATOM 12008 H HG2 . ARG A 1 84 ? 7.495 -21.148 3.217 1.00 0.00 ? 84 ARG A HG2 8 ATOM 12009 H HG3 . ARG A 1 84 ? 7.408 -22.378 1.955 1.00 0.00 ? 84 ARG A HG3 8 ATOM 12010 H HD2 . ARG A 1 84 ? 9.927 -20.823 2.386 1.00 0.00 ? 84 ARG A HD2 8 ATOM 12011 H HD3 . ARG A 1 84 ? 9.542 -22.197 3.422 1.00 0.00 ? 84 ARG A HD3 8 ATOM 12012 H HE . ARG A 1 84 ? 9.247 -23.235 0.963 1.00 0.00 ? 84 ARG A HE 8 ATOM 12013 H HH11 . ARG A 1 84 ? 11.793 -21.361 2.422 1.00 0.00 ? 84 ARG A HH11 8 ATOM 12014 H HH12 . ARG A 1 84 ? 13.047 -22.079 1.466 1.00 0.00 ? 84 ARG A HH12 8 ATOM 12015 H HH21 . ARG A 1 84 ? 10.890 -24.187 -0.302 1.00 0.00 ? 84 ARG A HH21 8 ATOM 12016 H HH22 . ARG A 1 84 ? 12.532 -23.685 -0.084 1.00 0.00 ? 84 ARG A HH22 8 ATOM 12017 N N . GLU A 1 85 ? 5.065 -20.518 2.621 1.00 0.00 ? 85 GLU A N 8 ATOM 12018 C CA . GLU A 1 85 ? 4.120 -21.037 3.603 1.00 0.00 ? 85 GLU A CA 8 ATOM 12019 C C . GLU A 1 85 ? 2.894 -21.632 2.917 1.00 0.00 ? 85 GLU A C 8 ATOM 12020 O O . GLU A 1 85 ? 2.273 -22.562 3.430 1.00 0.00 ? 85 GLU A O 8 ATOM 12021 C CB . GLU A 1 85 ? 3.692 -19.928 4.567 1.00 0.00 ? 85 GLU A CB 8 ATOM 12022 C CG . GLU A 1 85 ? 4.856 -19.146 5.151 1.00 0.00 ? 85 GLU A CG 8 ATOM 12023 C CD . GLU A 1 85 ? 4.550 -18.583 6.525 1.00 0.00 ? 85 GLU A CD 8 ATOM 12024 O OE1 . GLU A 1 85 ? 3.893 -19.285 7.322 1.00 0.00 ? 85 GLU A OE1 8 ATOM 12025 O OE2 . GLU A 1 85 ? 4.968 -17.439 6.803 1.00 0.00 ? 85 GLU A OE2 8 ATOM 12026 H H . GLU A 1 85 ? 5.544 -19.685 2.812 1.00 0.00 ? 85 GLU A H 8 ATOM 12027 H HA . GLU A 1 85 ? 4.617 -21.815 4.163 1.00 0.00 ? 85 GLU A HA 8 ATOM 12028 H HB2 . GLU A 1 85 ? 3.048 -19.239 4.040 1.00 0.00 ? 85 GLU A HB2 8 ATOM 12029 H HB3 . GLU A 1 85 ? 3.138 -20.371 5.382 1.00 0.00 ? 85 GLU A HB3 8 ATOM 12030 H HG2 . GLU A 1 85 ? 5.710 -19.801 5.229 1.00 0.00 ? 85 GLU A HG2 8 ATOM 12031 H HG3 . GLU A 1 85 ? 5.091 -18.327 4.487 1.00 0.00 ? 85 GLU A HG3 8 ATOM 12032 N N . GLU A 1 86 ? 2.551 -21.086 1.754 1.00 0.00 ? 86 GLU A N 8 ATOM 12033 C CA . GLU A 1 86 ? 1.398 -21.562 0.999 1.00 0.00 ? 86 GLU A CA 8 ATOM 12034 C C . GLU A 1 86 ? 1.802 -22.670 0.031 1.00 0.00 ? 86 GLU A C 8 ATOM 12035 O O . GLU A 1 86 ? 1.149 -23.712 -0.045 1.00 0.00 ? 86 GLU A O 8 ATOM 12036 C CB . GLU A 1 86 ? 0.753 -20.408 0.229 1.00 0.00 ? 86 GLU A CB 8 ATOM 12037 C CG . GLU A 1 86 ? -0.227 -20.861 -0.840 1.00 0.00 ? 86 GLU A CG 8 ATOM 12038 C CD . GLU A 1 86 ? -1.294 -19.823 -1.131 1.00 0.00 ? 86 GLU A CD 8 ATOM 12039 O OE1 . GLU A 1 86 ? -2.264 -19.733 -0.351 1.00 0.00 ? 86 GLU A OE1 8 ATOM 12040 O OE2 . GLU A 1 86 ? -1.157 -19.101 -2.141 1.00 0.00 ? 86 GLU A OE2 8 ATOM 12041 H H . GLU A 1 86 ? 3.085 -20.347 1.397 1.00 0.00 ? 86 GLU A H 8 ATOM 12042 H HA . GLU A 1 86 ? 0.681 -21.958 1.702 1.00 0.00 ? 86 GLU A HA 8 ATOM 12043 H HB2 . GLU A 1 86 ? 0.226 -19.775 0.928 1.00 0.00 ? 86 GLU A HB2 8 ATOM 12044 H HB3 . GLU A 1 86 ? 1.531 -19.830 -0.248 1.00 0.00 ? 86 GLU A HB3 8 ATOM 12045 H HG2 . GLU A 1 86 ? 0.318 -21.060 -1.750 1.00 0.00 ? 86 GLU A HG2 8 ATOM 12046 H HG3 . GLU A 1 86 ? -0.710 -21.768 -0.506 1.00 0.00 ? 86 GLU A HG3 8 ATOM 12047 N N . ARG A 1 87 ? 2.881 -22.438 -0.709 1.00 0.00 ? 87 ARG A N 8 ATOM 12048 C CA . ARG A 1 87 ? 3.372 -23.415 -1.673 1.00 0.00 ? 87 ARG A CA 8 ATOM 12049 C C . ARG A 1 87 ? 3.523 -24.789 -1.027 1.00 0.00 ? 87 ARG A C 8 ATOM 12050 O O . ARG A 1 87 ? 3.613 -25.805 -1.717 1.00 0.00 ? 87 ARG A O 8 ATOM 12051 C CB . ARG A 1 87 ? 4.713 -22.962 -2.253 1.00 0.00 ? 87 ARG A CB 8 ATOM 12052 C CG . ARG A 1 87 ? 4.579 -22.109 -3.504 1.00 0.00 ? 87 ARG A CG 8 ATOM 12053 C CD . ARG A 1 87 ? 4.005 -22.908 -4.664 1.00 0.00 ? 87 ARG A CD 8 ATOM 12054 N NE . ARG A 1 87 ? 4.072 -22.170 -5.923 1.00 0.00 ? 87 ARG A NE 8 ATOM 12055 C CZ . ARG A 1 87 ? 4.015 -22.749 -7.117 1.00 0.00 ? 87 ARG A CZ 8 ATOM 12056 N NH1 . ARG A 1 87 ? 3.890 -24.065 -7.215 1.00 0.00 ? 87 ARG A NH1 8 ATOM 12057 N NH2 . ARG A 1 87 ? 4.082 -22.010 -8.217 1.00 0.00 ? 87 ARG A NH2 8 ATOM 12058 H H . ARG A 1 87 ? 3.359 -21.589 -0.604 1.00 0.00 ? 87 ARG A H 8 ATOM 12059 H HA . ARG A 1 87 ? 2.649 -23.484 -2.473 1.00 0.00 ? 87 ARG A HA 8 ATOM 12060 H HB2 . ARG A 1 87 ? 5.239 -22.386 -1.506 1.00 0.00 ? 87 ARG A HB2 8 ATOM 12061 H HB3 . ARG A 1 87 ? 5.298 -23.835 -2.500 1.00 0.00 ? 87 ARG A HB3 8 ATOM 12062 H HG2 . ARG A 1 87 ? 3.921 -21.279 -3.294 1.00 0.00 ? 87 ARG A HG2 8 ATOM 12063 H HG3 . ARG A 1 87 ? 5.554 -21.738 -3.781 1.00 0.00 ? 87 ARG A HG3 8 ATOM 12064 H HD2 . ARG A 1 87 ? 4.567 -23.825 -4.765 1.00 0.00 ? 87 ARG A HD2 8 ATOM 12065 H HD3 . ARG A 1 87 ? 2.973 -23.140 -4.448 1.00 0.00 ? 87 ARG A HD3 8 ATOM 12066 H HE . ARG A 1 87 ? 4.165 -21.197 -5.874 1.00 0.00 ? 87 ARG A HE 8 ATOM 12067 H HH11 . ARG A 1 87 ? 3.838 -24.624 -6.388 1.00 0.00 ? 87 ARG A HH11 8 ATOM 12068 H HH12 . ARG A 1 87 ? 3.846 -24.498 -8.116 1.00 0.00 ? 87 ARG A HH12 8 ATOM 12069 H HH21 . ARG A 1 87 ? 4.176 -21.017 -8.148 1.00 0.00 ? 87 ARG A HH21 8 ATOM 12070 H HH22 . ARG A 1 87 ? 4.039 -22.446 -9.116 1.00 0.00 ? 87 ARG A HH22 8 ATOM 12071 N N . LEU A 1 88 ? 3.550 -24.812 0.301 1.00 0.00 ? 88 LEU A N 8 ATOM 12072 C CA . LEU A 1 88 ? 3.690 -26.061 1.042 1.00 0.00 ? 88 LEU A CA 8 ATOM 12073 C C . LEU A 1 88 ? 2.325 -26.659 1.365 1.00 0.00 ? 88 LEU A C 8 ATOM 12074 O O . LEU A 1 88 ? 1.974 -27.734 0.878 1.00 0.00 ? 88 LEU A O 8 ATOM 12075 C CB . LEU A 1 88 ? 4.476 -25.826 2.333 1.00 0.00 ? 88 LEU A CB 8 ATOM 12076 C CG . LEU A 1 88 ? 5.994 -25.980 2.232 1.00 0.00 ? 88 LEU A CG 8 ATOM 12077 C CD1 . LEU A 1 88 ? 6.560 -25.023 1.194 1.00 0.00 ? 88 LEU A CD1 8 ATOM 12078 C CD2 . LEU A 1 88 ? 6.645 -25.744 3.588 1.00 0.00 ? 88 LEU A CD2 8 ATOM 12079 H H . LEU A 1 88 ? 3.473 -23.970 0.796 1.00 0.00 ? 88 LEU A H 8 ATOM 12080 H HA . LEU A 1 88 ? 4.235 -26.755 0.420 1.00 0.00 ? 88 LEU A HA 8 ATOM 12081 H HB2 . LEU A 1 88 ? 4.267 -24.822 2.668 1.00 0.00 ? 88 LEU A HB2 8 ATOM 12082 H HB3 . LEU A 1 88 ? 4.119 -26.531 3.070 1.00 0.00 ? 88 LEU A HB3 8 ATOM 12083 H HG . LEU A 1 88 ? 6.227 -26.988 1.919 1.00 0.00 ? 88 LEU A HG 8 ATOM 12084 H HD11 . LEU A 1 88 ? 7.019 -25.588 0.397 1.00 0.00 ? 88 LEU A HD11 8 ATOM 12085 H HD12 . LEU A 1 88 ? 7.300 -24.387 1.656 1.00 0.00 ? 88 LEU A HD12 8 ATOM 12086 H HD13 . LEU A 1 88 ? 5.762 -24.415 0.793 1.00 0.00 ? 88 LEU A HD13 8 ATOM 12087 H HD21 . LEU A 1 88 ? 6.269 -26.466 4.297 1.00 0.00 ? 88 LEU A HD21 8 ATOM 12088 H HD22 . LEU A 1 88 ? 6.410 -24.747 3.931 1.00 0.00 ? 88 LEU A HD22 8 ATOM 12089 H HD23 . LEU A 1 88 ? 7.715 -25.852 3.497 1.00 0.00 ? 88 LEU A HD23 8 ATOM 12090 N N . LYS A 1 89 ? 1.557 -25.954 2.190 1.00 0.00 ? 89 LYS A N 8 ATOM 12091 C CA . LYS A 1 89 ? 0.228 -26.412 2.577 1.00 0.00 ? 89 LYS A CA 8 ATOM 12092 C C . LYS A 1 89 ? -0.624 -26.711 1.347 1.00 0.00 ? 89 LYS A C 8 ATOM 12093 O O . LYS A 1 89 ? -1.286 -27.746 1.277 1.00 0.00 ? 89 LYS A O 8 ATOM 12094 C CB . LYS A 1 89 ? -0.464 -25.359 3.445 1.00 0.00 ? 89 LYS A CB 8 ATOM 12095 C CG . LYS A 1 89 ? -0.885 -24.118 2.677 1.00 0.00 ? 89 LYS A CG 8 ATOM 12096 C CD . LYS A 1 89 ? -1.299 -22.996 3.615 1.00 0.00 ? 89 LYS A CD 8 ATOM 12097 C CE . LYS A 1 89 ? -2.759 -23.119 4.021 1.00 0.00 ? 89 LYS A CE 8 ATOM 12098 N NZ . LYS A 1 89 ? -3.168 -22.035 4.957 1.00 0.00 ? 89 LYS A NZ 8 ATOM 12099 H H . LYS A 1 89 ? 1.892 -25.104 2.546 1.00 0.00 ? 89 LYS A H 8 ATOM 12100 H HA . LYS A 1 89 ? 0.343 -27.320 3.150 1.00 0.00 ? 89 LYS A HA 8 ATOM 12101 H HB2 . LYS A 1 89 ? -1.345 -25.798 3.890 1.00 0.00 ? 89 LYS A HB2 8 ATOM 12102 H HB3 . LYS A 1 89 ? 0.213 -25.058 4.232 1.00 0.00 ? 89 LYS A HB3 8 ATOM 12103 H HG2 . LYS A 1 89 ? -0.055 -23.781 2.074 1.00 0.00 ? 89 LYS A HG2 8 ATOM 12104 H HG3 . LYS A 1 89 ? -1.720 -24.367 2.038 1.00 0.00 ? 89 LYS A HG3 8 ATOM 12105 H HD2 . LYS A 1 89 ? -0.685 -23.035 4.503 1.00 0.00 ? 89 LYS A HD2 8 ATOM 12106 H HD3 . LYS A 1 89 ? -1.152 -22.049 3.115 1.00 0.00 ? 89 LYS A HD3 8 ATOM 12107 H HE2 . LYS A 1 89 ? -3.372 -23.067 3.135 1.00 0.00 ? 89 LYS A HE2 8 ATOM 12108 H HE3 . LYS A 1 89 ? -2.905 -24.074 4.504 1.00 0.00 ? 89 LYS A HE3 8 ATOM 12109 H HZ1 . LYS A 1 89 ? -4.176 -22.131 5.196 1.00 0.00 ? 89 LYS A HZ1 8 ATOM 12110 H HZ2 . LYS A 1 89 ? -3.015 -21.106 4.516 1.00 0.00 ? 89 LYS A HZ2 8 ATOM 12111 H HZ3 . LYS A 1 89 ? -2.608 -22.088 5.832 1.00 0.00 ? 89 LYS A HZ3 8 ATOM 12112 N N . ALA A 1 90 ? -0.601 -25.800 0.381 1.00 0.00 ? 90 ALA A N 8 ATOM 12113 C CA . ALA A 1 90 ? -1.368 -25.968 -0.847 1.00 0.00 ? 90 ALA A CA 8 ATOM 12114 C C . ALA A 1 90 ? -0.897 -27.192 -1.625 1.00 0.00 ? 90 ALA A C 8 ATOM 12115 O O . ALA A 1 90 ? 0.061 -27.119 -2.396 1.00 0.00 ? 90 ALA A O 8 ATOM 12116 C CB . ALA A 1 90 ? -1.264 -24.720 -1.710 1.00 0.00 ? 90 ALA A CB 8 ATOM 12117 H H . ALA A 1 90 ? -0.053 -24.995 0.495 1.00 0.00 ? 90 ALA A H 8 ATOM 12118 H HA . ALA A 1 90 ? -2.406 -26.104 -0.576 1.00 0.00 ? 90 ALA A HA 8 ATOM 12119 H HB1 . ALA A 1 90 ? -0.251 -24.347 -1.683 1.00 0.00 ? 90 ALA A HB1 8 ATOM 12120 H HB2 . ALA A 1 90 ? -1.532 -24.962 -2.728 1.00 0.00 ? 90 ALA A HB2 8 ATOM 12121 H HB3 . ALA A 1 90 ? -1.936 -23.964 -1.331 1.00 0.00 ? 90 ALA A HB3 8 ATOM 12122 N N . HIS A 1 91 ? -1.575 -28.317 -1.418 1.00 0.00 ? 91 HIS A N 8 ATOM 12123 C CA . HIS A 1 91 ? -1.225 -29.557 -2.101 1.00 0.00 ? 91 HIS A CA 8 ATOM 12124 C C . HIS A 1 91 ? -1.862 -29.614 -3.486 1.00 0.00 ? 91 HIS A C 8 ATOM 12125 O O . HIS A 1 91 ? -3.069 -29.815 -3.617 1.00 0.00 ? 91 HIS A O 8 ATOM 12126 C CB . HIS A 1 91 ? -1.669 -30.763 -1.273 1.00 0.00 ? 91 HIS A CB 8 ATOM 12127 C CG . HIS A 1 91 ? -1.366 -32.079 -1.920 1.00 0.00 ? 91 HIS A CG 8 ATOM 12128 N ND1 . HIS A 1 91 ? -2.086 -33.227 -1.665 1.00 0.00 ? 91 HIS A ND1 8 ATOM 12129 C CD2 . HIS A 1 91 ? -0.414 -32.426 -2.818 1.00 0.00 ? 91 HIS A CD2 8 ATOM 12130 C CE1 . HIS A 1 91 ? -1.590 -34.223 -2.377 1.00 0.00 ? 91 HIS A CE1 8 ATOM 12131 N NE2 . HIS A 1 91 ? -0.575 -33.763 -3.086 1.00 0.00 ? 91 HIS A NE2 8 ATOM 12132 H H . HIS A 1 91 ? -2.328 -28.312 -0.792 1.00 0.00 ? 91 HIS A H 8 ATOM 12133 H HA . HIS A 1 91 ? -0.151 -29.583 -2.211 1.00 0.00 ? 91 HIS A HA 8 ATOM 12134 H HB2 . HIS A 1 91 ? -1.166 -30.740 -0.317 1.00 0.00 ? 91 HIS A HB2 8 ATOM 12135 H HB3 . HIS A 1 91 ? -2.737 -30.709 -1.114 1.00 0.00 ? 91 HIS A HB3 8 ATOM 12136 H HD1 . HIS A 1 91 ? -2.847 -33.301 -1.052 1.00 0.00 ? 91 HIS A HD1 8 ATOM 12137 H HD2 . HIS A 1 91 ? 0.333 -31.772 -3.246 1.00 0.00 ? 91 HIS A HD2 8 ATOM 12138 H HE1 . HIS A 1 91 ? -1.952 -35.240 -2.380 1.00 0.00 ? 91 HIS A HE1 8 ATOM 12139 H HE2 . HIS A 1 91 ? 0.024 -34.310 -3.635 1.00 0.00 ? 91 HIS A HE2 8 ATOM 12140 N N . SER A 1 92 ? -1.042 -29.434 -4.517 1.00 0.00 ? 92 SER A N 8 ATOM 12141 C CA . SER A 1 92 ? -1.527 -29.460 -5.892 1.00 0.00 ? 92 SER A CA 8 ATOM 12142 C C . SER A 1 92 ? -0.394 -29.782 -6.862 1.00 0.00 ? 92 SER A C 8 ATOM 12143 O O . SER A 1 92 ? 0.707 -29.245 -6.748 1.00 0.00 ? 92 SER A O 8 ATOM 12144 C CB . SER A 1 92 ? -2.159 -28.115 -6.258 1.00 0.00 ? 92 SER A CB 8 ATOM 12145 O OG . SER A 1 92 ? -2.839 -28.192 -7.499 1.00 0.00 ? 92 SER A OG 8 ATOM 12146 H H . SER A 1 92 ? -0.090 -29.277 -4.348 1.00 0.00 ? 92 SER A H 8 ATOM 12147 H HA . SER A 1 92 ? -2.278 -30.232 -5.965 1.00 0.00 ? 92 SER A HA 8 ATOM 12148 H HB2 . SER A 1 92 ? -2.864 -27.831 -5.492 1.00 0.00 ? 92 SER A HB2 8 ATOM 12149 H HB3 . SER A 1 92 ? -1.385 -27.365 -6.331 1.00 0.00 ? 92 SER A HB3 8 ATOM 12150 H HG . SER A 1 92 ? -3.261 -29.051 -7.580 1.00 0.00 ? 92 SER A HG 8 ATOM 12151 N N . GLY A 1 93 ? -0.673 -30.664 -7.817 1.00 0.00 ? 93 GLY A N 8 ATOM 12152 C CA . GLY A 1 93 ? 0.331 -31.044 -8.792 1.00 0.00 ? 93 GLY A CA 8 ATOM 12153 C C . GLY A 1 93 ? 0.867 -32.443 -8.558 1.00 0.00 ? 93 GLY A C 8 ATOM 12154 O O . GLY A 1 93 ? 0.984 -32.904 -7.423 1.00 0.00 ? 93 GLY A O 8 ATOM 12155 H H . GLY A 1 93 ? -1.569 -31.060 -7.859 1.00 0.00 ? 93 GLY A H 8 ATOM 12156 H HA2 . GLY A 1 93 ? -0.105 -30.997 -9.779 1.00 0.00 ? 93 GLY A HA2 8 ATOM 12157 H HA3 . GLY A 1 93 ? 1.152 -30.343 -8.739 1.00 0.00 ? 93 GLY A HA3 8 ATOM 12158 N N . PRO A 1 94 ? 1.202 -33.143 -9.652 1.00 0.00 ? 94 PRO A N 8 ATOM 12159 C CA . PRO A 1 94 ? 1.733 -34.508 -9.586 1.00 0.00 ? 94 PRO A CA 8 ATOM 12160 C C . PRO A 1 94 ? 3.142 -34.555 -9.005 1.00 0.00 ? 94 PRO A C 8 ATOM 12161 O O . PRO A 1 94 ? 3.673 -35.629 -8.727 1.00 0.00 ? 94 PRO A O 8 ATOM 12162 C CB . PRO A 1 94 ? 1.743 -34.955 -11.050 1.00 0.00 ? 94 PRO A CB 8 ATOM 12163 C CG . PRO A 1 94 ? 1.836 -33.691 -11.832 1.00 0.00 ? 94 PRO A CG 8 ATOM 12164 C CD . PRO A 1 94 ? 1.089 -32.656 -11.037 1.00 0.00 ? 94 PRO A CD 8 ATOM 12165 H HA . PRO A 1 94 ? 1.087 -35.158 -9.014 1.00 0.00 ? 94 PRO A HA 8 ATOM 12166 H HB2 . PRO A 1 94 ? 2.596 -35.595 -11.228 1.00 0.00 ? 94 PRO A HB2 8 ATOM 12167 H HB3 . PRO A 1 94 ? 0.832 -35.491 -11.273 1.00 0.00 ? 94 PRO A HB3 8 ATOM 12168 H HG2 . PRO A 1 94 ? 2.870 -33.403 -11.944 1.00 0.00 ? 94 PRO A HG2 8 ATOM 12169 H HG3 . PRO A 1 94 ? 1.376 -33.824 -12.800 1.00 0.00 ? 94 PRO A HG3 8 ATOM 12170 H HD2 . PRO A 1 94 ? 1.555 -31.688 -11.145 1.00 0.00 ? 94 PRO A HD2 8 ATOM 12171 H HD3 . PRO A 1 94 ? 0.055 -32.616 -11.348 1.00 0.00 ? 94 PRO A HD3 8 ATOM 12172 N N . SER A 1 95 ? 3.741 -33.382 -8.824 1.00 0.00 ? 95 SER A N 8 ATOM 12173 C CA . SER A 1 95 ? 5.091 -33.290 -8.279 1.00 0.00 ? 95 SER A CA 8 ATOM 12174 C C . SER A 1 95 ? 5.056 -33.180 -6.758 1.00 0.00 ? 95 SER A C 8 ATOM 12175 O O . SER A 1 95 ? 4.424 -32.280 -6.204 1.00 0.00 ? 95 SER A O 8 ATOM 12176 C CB . SER A 1 95 ? 5.822 -32.085 -8.873 1.00 0.00 ? 95 SER A CB 8 ATOM 12177 O OG . SER A 1 95 ? 6.149 -32.306 -10.234 1.00 0.00 ? 95 SER A OG 8 ATOM 12178 H H . SER A 1 95 ? 3.266 -32.560 -9.066 1.00 0.00 ? 95 SER A H 8 ATOM 12179 H HA . SER A 1 95 ? 5.620 -34.191 -8.551 1.00 0.00 ? 95 SER A HA 8 ATOM 12180 H HB2 . SER A 1 95 ? 5.189 -31.213 -8.804 1.00 0.00 ? 95 SER A HB2 8 ATOM 12181 H HB3 . SER A 1 95 ? 6.734 -31.912 -8.319 1.00 0.00 ? 95 SER A HB3 8 ATOM 12182 H HG . SER A 1 95 ? 5.596 -31.752 -10.790 1.00 0.00 ? 95 SER A HG 8 ATOM 12183 N N . SER A 1 96 ? 5.739 -34.102 -6.088 1.00 0.00 ? 96 SER A N 8 ATOM 12184 C CA . SER A 1 96 ? 5.784 -34.112 -4.630 1.00 0.00 ? 96 SER A CA 8 ATOM 12185 C C . SER A 1 96 ? 6.746 -33.049 -4.109 1.00 0.00 ? 96 SER A C 8 ATOM 12186 O O . SER A 1 96 ? 6.438 -32.327 -3.163 1.00 0.00 ? 96 SER A O 8 ATOM 12187 C CB . SER A 1 96 ? 6.205 -35.492 -4.121 1.00 0.00 ? 96 SER A CB 8 ATOM 12188 O OG . SER A 1 96 ? 5.277 -36.487 -4.518 1.00 0.00 ? 96 SER A OG 8 ATOM 12189 H H . SER A 1 96 ? 6.222 -34.794 -6.586 1.00 0.00 ? 96 SER A H 8 ATOM 12190 H HA . SER A 1 96 ? 4.791 -33.891 -4.267 1.00 0.00 ? 96 SER A HA 8 ATOM 12191 H HB2 . SER A 1 96 ? 7.175 -35.741 -4.524 1.00 0.00 ? 96 SER A HB2 8 ATOM 12192 H HB3 . SER A 1 96 ? 6.257 -35.474 -3.042 1.00 0.00 ? 96 SER A HB3 8 ATOM 12193 H HG . SER A 1 96 ? 4.915 -36.263 -5.378 1.00 0.00 ? 96 SER A HG 8 ATOM 12194 N N . GLY A 1 97 ? 7.916 -32.961 -4.736 1.00 0.00 ? 97 GLY A N 8 ATOM 12195 C CA . GLY A 1 97 ? 8.907 -31.985 -4.322 1.00 0.00 ? 97 GLY A CA 8 ATOM 12196 C C . GLY A 1 97 ? 9.612 -32.382 -3.040 1.00 0.00 ? 97 GLY A C 8 ATOM 12197 O O . GLY A 1 97 ? 9.293 -31.873 -1.966 1.00 0.00 ? 97 GLY A O 8 ATOM 12198 H H . GLY A 1 97 ? 8.108 -33.564 -5.484 1.00 0.00 ? 97 GLY A H 8 ATOM 12199 H HA2 . GLY A 1 97 ? 9.642 -31.879 -5.106 1.00 0.00 ? 97 GLY A HA2 8 ATOM 12200 H HA3 . GLY A 1 97 ? 8.418 -31.034 -4.170 1.00 0.00 ? 97 GLY A HA3 8 ATOM 12201 N N . GLY A 1 1 ? 5.944 17.219 18.657 1.00 0.00 ? 1 GLY A N 9 ATOM 12202 C CA . GLY A 1 1 ? 5.844 18.538 18.062 1.00 0.00 ? 1 GLY A CA 9 ATOM 12203 C C . GLY A 1 1 ? 5.005 18.543 16.800 1.00 0.00 ? 1 GLY A C 9 ATOM 12204 O O . GLY A 1 1 ? 3.778 18.623 16.862 1.00 0.00 ? 1 GLY A O 9 ATOM 12205 H H1 . GLY A 1 1 ? 5.130 16.729 18.898 1.00 0.00 ? 1 GLY A H1 9 ATOM 12206 H HA2 . GLY A 1 1 ? 5.400 19.212 18.780 1.00 0.00 ? 1 GLY A HA2 9 ATOM 12207 H HA3 . GLY A 1 1 ? 6.837 18.888 17.821 1.00 0.00 ? 1 GLY A HA3 9 ATOM 12208 N N . SER A 1 2 ? 5.667 18.459 15.650 1.00 0.00 ? 2 SER A N 9 ATOM 12209 C CA . SER A 1 2 ? 4.974 18.460 14.367 1.00 0.00 ? 2 SER A CA 9 ATOM 12210 C C . SER A 1 2 ? 3.782 19.412 14.394 1.00 0.00 ? 2 SER A C 9 ATOM 12211 O O . SER A 1 2 ? 2.711 19.098 13.874 1.00 0.00 ? 2 SER A O 9 ATOM 12212 C CB . SER A 1 2 ? 4.505 17.047 14.016 1.00 0.00 ? 2 SER A CB 9 ATOM 12213 O OG . SER A 1 2 ? 3.548 16.580 14.952 1.00 0.00 ? 2 SER A OG 9 ATOM 12214 H H . SER A 1 2 ? 6.645 18.398 15.666 1.00 0.00 ? 2 SER A H 9 ATOM 12215 H HA . SER A 1 2 ? 5.671 18.796 13.614 1.00 0.00 ? 2 SER A HA 9 ATOM 12216 H HB2 . SER A 1 2 ? 4.057 17.052 13.034 1.00 0.00 ? 2 SER A HB2 9 ATOM 12217 H HB3 . SER A 1 2 ? 5.353 16.377 14.022 1.00 0.00 ? 2 SER A HB3 9 ATOM 12218 H HG . SER A 1 2 ? 2.847 17.229 15.044 1.00 0.00 ? 2 SER A HG 9 ATOM 12219 N N . SER A 1 3 ? 3.976 20.576 15.005 1.00 0.00 ? 3 SER A N 9 ATOM 12220 C CA . SER A 1 3 ? 2.917 21.574 15.104 1.00 0.00 ? 3 SER A CA 9 ATOM 12221 C C . SER A 1 3 ? 2.415 21.973 13.719 1.00 0.00 ? 3 SER A C 9 ATOM 12222 O O . SER A 1 3 ? 2.971 21.559 12.702 1.00 0.00 ? 3 SER A O 9 ATOM 12223 C CB . SER A 1 3 ? 3.420 22.810 15.852 1.00 0.00 ? 3 SER A CB 9 ATOM 12224 O OG . SER A 1 3 ? 3.554 22.547 17.238 1.00 0.00 ? 3 SER A OG 9 ATOM 12225 H H . SER A 1 3 ? 4.853 20.768 15.400 1.00 0.00 ? 3 SER A H 9 ATOM 12226 H HA . SER A 1 3 ? 2.100 21.136 15.657 1.00 0.00 ? 3 SER A HA 9 ATOM 12227 H HB2 . SER A 1 3 ? 4.382 23.099 15.458 1.00 0.00 ? 3 SER A HB2 9 ATOM 12228 H HB3 . SER A 1 3 ? 2.717 23.619 15.717 1.00 0.00 ? 3 SER A HB3 9 ATOM 12229 H HG . SER A 1 3 ? 4.114 23.217 17.638 1.00 0.00 ? 3 SER A HG 9 ATOM 12230 N N . GLY A 1 4 ? 1.359 22.780 13.689 1.00 0.00 ? 4 GLY A N 9 ATOM 12231 C CA . GLY A 1 4 ? 0.799 23.222 12.425 1.00 0.00 ? 4 GLY A CA 9 ATOM 12232 C C . GLY A 1 4 ? -0.578 22.644 12.168 1.00 0.00 ? 4 GLY A C 9 ATOM 12233 O O . GLY A 1 4 ? -0.814 21.458 12.399 1.00 0.00 ? 4 GLY A O 9 ATOM 12234 H H . GLY A 1 4 ? 0.957 23.078 14.532 1.00 0.00 ? 4 GLY A H 9 ATOM 12235 H HA2 . GLY A 1 4 ? 0.731 24.299 12.431 1.00 0.00 ? 4 GLY A HA2 9 ATOM 12236 H HA3 . GLY A 1 4 ? 1.460 22.918 11.626 1.00 0.00 ? 4 GLY A HA3 9 ATOM 12237 N N . SER A 1 5 ? -1.490 23.483 11.688 1.00 0.00 ? 5 SER A N 9 ATOM 12238 C CA . SER A 1 5 ? -2.853 23.050 11.404 1.00 0.00 ? 5 SER A CA 9 ATOM 12239 C C . SER A 1 5 ? -3.088 22.945 9.900 1.00 0.00 ? 5 SER A C 9 ATOM 12240 O O . SER A 1 5 ? -3.482 21.895 9.394 1.00 0.00 ? 5 SER A O 9 ATOM 12241 C CB . SER A 1 5 ? -3.860 24.022 12.023 1.00 0.00 ? 5 SER A CB 9 ATOM 12242 O OG . SER A 1 5 ? -3.933 23.855 13.428 1.00 0.00 ? 5 SER A OG 9 ATOM 12243 H H . SER A 1 5 ? -1.241 24.417 11.524 1.00 0.00 ? 5 SER A H 9 ATOM 12244 H HA . SER A 1 5 ? -2.990 22.074 11.847 1.00 0.00 ? 5 SER A HA 9 ATOM 12245 H HB2 . SER A 1 5 ? -3.555 25.035 11.809 1.00 0.00 ? 5 SER A HB2 9 ATOM 12246 H HB3 . SER A 1 5 ? -4.837 23.843 11.598 1.00 0.00 ? 5 SER A HB3 9 ATOM 12247 H HG . SER A 1 5 ? -4.502 23.108 13.632 1.00 0.00 ? 5 SER A HG 9 ATOM 12248 N N . SER A 1 6 ? -2.843 24.043 9.192 1.00 0.00 ? 6 SER A N 9 ATOM 12249 C CA . SER A 1 6 ? -3.031 24.078 7.746 1.00 0.00 ? 6 SER A CA 9 ATOM 12250 C C . SER A 1 6 ? -2.439 22.833 7.092 1.00 0.00 ? 6 SER A C 9 ATOM 12251 O O . SER A 1 6 ? -1.488 22.242 7.602 1.00 0.00 ? 6 SER A O 9 ATOM 12252 C CB . SER A 1 6 ? -2.386 25.333 7.157 1.00 0.00 ? 6 SER A CB 9 ATOM 12253 O OG . SER A 1 6 ? -2.991 25.687 5.925 1.00 0.00 ? 6 SER A OG 9 ATOM 12254 H H . SER A 1 6 ? -2.531 24.849 9.653 1.00 0.00 ? 6 SER A H 9 ATOM 12255 H HA . SER A 1 6 ? -4.092 24.102 7.551 1.00 0.00 ? 6 SER A HA 9 ATOM 12256 H HB2 . SER A 1 6 ? -2.502 26.153 7.850 1.00 0.00 ? 6 SER A HB2 9 ATOM 12257 H HB3 . SER A 1 6 ? -1.335 25.150 6.988 1.00 0.00 ? 6 SER A HB3 9 ATOM 12258 H HG . SER A 1 6 ? -3.822 26.138 6.095 1.00 0.00 ? 6 SER A HG 9 ATOM 12259 N N . GLY A 1 7 ? -3.009 22.441 5.956 1.00 0.00 ? 7 GLY A N 9 ATOM 12260 C CA . GLY A 1 7 ? -2.526 21.269 5.250 1.00 0.00 ? 7 GLY A CA 9 ATOM 12261 C C . GLY A 1 7 ? -2.971 21.242 3.801 1.00 0.00 ? 7 GLY A C 9 ATOM 12262 O O . GLY A 1 7 ? -3.994 21.827 3.448 1.00 0.00 ? 7 GLY A O 9 ATOM 12263 H H . GLY A 1 7 ? -3.765 22.951 5.596 1.00 0.00 ? 7 GLY A H 9 ATOM 12264 H HA2 . GLY A 1 7 ? -1.447 21.261 5.284 1.00 0.00 ? 7 GLY A HA2 9 ATOM 12265 H HA3 . GLY A 1 7 ? -2.899 20.385 5.745 1.00 0.00 ? 7 GLY A HA3 9 ATOM 12266 N N . MET A 1 8 ? -2.200 20.560 2.959 1.00 0.00 ? 8 MET A N 9 ATOM 12267 C CA . MET A 1 8 ? -2.521 20.460 1.540 1.00 0.00 ? 8 MET A CA 9 ATOM 12268 C C . MET A 1 8 ? -3.809 19.670 1.329 1.00 0.00 ? 8 MET A C 9 ATOM 12269 O O . MET A 1 8 ? -3.775 18.460 1.106 1.00 0.00 ? 8 MET A O 9 ATOM 12270 C CB . MET A 1 8 ? -1.371 19.795 0.781 1.00 0.00 ? 8 MET A CB 9 ATOM 12271 C CG . MET A 1 8 ? -0.316 20.777 0.296 1.00 0.00 ? 8 MET A CG 9 ATOM 12272 S SD . MET A 1 8 ? -0.771 21.573 -1.257 1.00 0.00 ? 8 MET A SD 9 ATOM 12273 C CE . MET A 1 8 ? 0.381 20.795 -2.386 1.00 0.00 ? 8 MET A CE 9 ATOM 12274 H H . MET A 1 8 ? -1.397 20.114 3.300 1.00 0.00 ? 8 MET A H 9 ATOM 12275 H HA . MET A 1 8 ? -2.660 21.461 1.161 1.00 0.00 ? 8 MET A HA 9 ATOM 12276 H HB2 . MET A 1 8 ? -0.892 19.079 1.432 1.00 0.00 ? 8 MET A HB2 9 ATOM 12277 H HB3 . MET A 1 8 ? -1.772 19.278 -0.077 1.00 0.00 ? 8 MET A HB3 9 ATOM 12278 H HG2 . MET A 1 8 ? -0.179 21.539 1.048 1.00 0.00 ? 8 MET A HG2 9 ATOM 12279 H HG3 . MET A 1 8 ? 0.612 20.244 0.153 1.00 0.00 ? 8 MET A HG3 9 ATOM 12280 H HE1 . MET A 1 8 ? -0.086 19.933 -2.840 1.00 0.00 ? 8 MET A HE1 9 ATOM 12281 H HE2 . MET A 1 8 ? 0.661 21.499 -3.156 1.00 0.00 ? 8 MET A HE2 9 ATOM 12282 H HE3 . MET A 1 8 ? 1.262 20.484 -1.844 1.00 0.00 ? 8 MET A HE3 9 ATOM 12283 N N . GLU A 1 9 ? -4.941 20.362 1.401 1.00 0.00 ? 9 GLU A N 9 ATOM 12284 C CA . GLU A 1 9 ? -6.239 19.723 1.219 1.00 0.00 ? 9 GLU A CA 9 ATOM 12285 C C . GLU A 1 9 ? -6.407 19.233 -0.217 1.00 0.00 ? 9 GLU A C 9 ATOM 12286 O O . GLU A 1 9 ? -6.409 20.025 -1.158 1.00 0.00 ? 9 GLU A O 9 ATOM 12287 C CB . GLU A 1 9 ? -7.366 20.696 1.573 1.00 0.00 ? 9 GLU A CB 9 ATOM 12288 C CG . GLU A 1 9 ? -7.669 20.761 3.060 1.00 0.00 ? 9 GLU A CG 9 ATOM 12289 C CD . GLU A 1 9 ? -8.695 19.730 3.492 1.00 0.00 ? 9 GLU A CD 9 ATOM 12290 O OE1 . GLU A 1 9 ? -8.339 18.537 3.576 1.00 0.00 ? 9 GLU A OE1 9 ATOM 12291 O OE2 . GLU A 1 9 ? -9.855 20.119 3.745 1.00 0.00 ? 9 GLU A OE2 9 ATOM 12292 H H . GLU A 1 9 ? -4.903 21.324 1.582 1.00 0.00 ? 9 GLU A H 9 ATOM 12293 H HA . GLU A 1 9 ? -6.287 18.874 1.884 1.00 0.00 ? 9 GLU A HA 9 ATOM 12294 H HB2 . GLU A 1 9 ? -7.089 21.685 1.239 1.00 0.00 ? 9 GLU A HB2 9 ATOM 12295 H HB3 . GLU A 1 9 ? -8.264 20.390 1.057 1.00 0.00 ? 9 GLU A HB3 9 ATOM 12296 H HG2 . GLU A 1 9 ? -6.756 20.588 3.609 1.00 0.00 ? 9 GLU A HG2 9 ATOM 12297 H HG3 . GLU A 1 9 ? -8.048 21.745 3.295 1.00 0.00 ? 9 GLU A HG3 9 ATOM 12298 N N . GLY A 1 10 ? -6.548 17.920 -0.375 1.00 0.00 ? 10 GLY A N 9 ATOM 12299 C CA . GLY A 1 10 ? -6.714 17.347 -1.698 1.00 0.00 ? 10 GLY A CA 9 ATOM 12300 C C . GLY A 1 10 ? -5.813 16.150 -1.928 1.00 0.00 ? 10 GLY A C 9 ATOM 12301 O O . GLY A 1 10 ? -6.269 15.009 -2.012 1.00 0.00 ? 10 GLY A O 9 ATOM 12302 H H . GLY A 1 10 ? -6.539 17.337 0.412 1.00 0.00 ? 10 GLY A H 9 ATOM 12303 H HA2 . GLY A 1 10 ? -7.742 17.039 -1.818 1.00 0.00 ? 10 GLY A HA2 9 ATOM 12304 H HA3 . GLY A 1 10 ? -6.486 18.101 -2.436 1.00 0.00 ? 10 GLY A HA3 9 ATOM 12305 N N . PRO A 1 11 ? -4.500 16.404 -2.035 1.00 0.00 ? 11 PRO A N 9 ATOM 12306 C CA . PRO A 1 11 ? -3.505 15.351 -2.260 1.00 0.00 ? 11 PRO A CA 9 ATOM 12307 C C . PRO A 1 11 ? -3.331 14.450 -1.043 1.00 0.00 ? 11 PRO A C 9 ATOM 12308 O O . PRO A 1 11 ? -2.920 13.295 -1.166 1.00 0.00 ? 11 PRO A O 9 ATOM 12309 C CB . PRO A 1 11 ? -2.218 16.133 -2.535 1.00 0.00 ? 11 PRO A CB 9 ATOM 12310 C CG . PRO A 1 11 ? -2.416 17.441 -1.851 1.00 0.00 ? 11 PRO A CG 9 ATOM 12311 C CD . PRO A 1 11 ? -3.886 17.740 -1.944 1.00 0.00 ? 11 PRO A CD 9 ATOM 12312 H HA . PRO A 1 11 ? -3.754 14.748 -3.121 1.00 0.00 ? 11 PRO A HA 9 ATOM 12313 H HB2 . PRO A 1 11 ? -1.374 15.596 -2.127 1.00 0.00 ? 11 PRO A HB2 9 ATOM 12314 H HB3 . PRO A 1 11 ? -2.091 16.259 -3.600 1.00 0.00 ? 11 PRO A HB3 9 ATOM 12315 H HG2 . PRO A 1 11 ? -2.113 17.365 -0.818 1.00 0.00 ? 11 PRO A HG2 9 ATOM 12316 H HG3 . PRO A 1 11 ? -1.845 18.208 -2.355 1.00 0.00 ? 11 PRO A HG3 9 ATOM 12317 H HD2 . PRO A 1 11 ? -4.223 18.260 -1.060 1.00 0.00 ? 11 PRO A HD2 9 ATOM 12318 H HD3 . PRO A 1 11 ? -4.098 18.321 -2.830 1.00 0.00 ? 11 PRO A HD3 9 ATOM 12319 N N . LEU A 1 12 ? -3.645 14.983 0.133 1.00 0.00 ? 12 LEU A N 9 ATOM 12320 C CA . LEU A 1 12 ? -3.524 14.225 1.374 1.00 0.00 ? 12 LEU A CA 9 ATOM 12321 C C . LEU A 1 12 ? -4.624 13.174 1.480 1.00 0.00 ? 12 LEU A C 9 ATOM 12322 O O . LEU A 1 12 ? -4.364 12.022 1.826 1.00 0.00 ? 12 LEU A O 9 ATOM 12323 C CB . LEU A 1 12 ? -3.585 15.167 2.577 1.00 0.00 ? 12 LEU A CB 9 ATOM 12324 C CG . LEU A 1 12 ? -2.291 15.908 2.916 1.00 0.00 ? 12 LEU A CG 9 ATOM 12325 C CD1 . LEU A 1 12 ? -2.587 17.150 3.742 1.00 0.00 ? 12 LEU A CD1 9 ATOM 12326 C CD2 . LEU A 1 12 ? -1.328 14.990 3.655 1.00 0.00 ? 12 LEU A CD2 9 ATOM 12327 H H . LEU A 1 12 ? -3.967 15.907 0.168 1.00 0.00 ? 12 LEU A H 9 ATOM 12328 H HA . LEU A 1 12 ? -2.566 13.727 1.365 1.00 0.00 ? 12 LEU A HA 9 ATOM 12329 H HB2 . LEU A 1 12 ? -4.347 15.906 2.381 1.00 0.00 ? 12 LEU A HB2 9 ATOM 12330 H HB3 . LEU A 1 12 ? -3.867 14.582 3.441 1.00 0.00 ? 12 LEU A HB3 9 ATOM 12331 H HG . LEU A 1 12 ? -1.814 16.225 1.998 1.00 0.00 ? 12 LEU A HG 9 ATOM 12332 H HD11 . LEU A 1 12 ? -1.681 17.723 3.869 1.00 0.00 ? 12 LEU A HD11 9 ATOM 12333 H HD12 . LEU A 1 12 ? -2.965 16.856 4.710 1.00 0.00 ? 12 LEU A HD12 9 ATOM 12334 H HD13 . LEU A 1 12 ? -3.327 17.752 3.235 1.00 0.00 ? 12 LEU A HD13 9 ATOM 12335 H HD21 . LEU A 1 12 ? -1.204 15.341 4.669 1.00 0.00 ? 12 LEU A HD21 9 ATOM 12336 H HD22 . LEU A 1 12 ? -0.371 14.994 3.154 1.00 0.00 ? 12 LEU A HD22 9 ATOM 12337 H HD23 . LEU A 1 12 ? -1.725 13.986 3.667 1.00 0.00 ? 12 LEU A HD23 9 ATOM 12338 N N . ASN A 1 13 ? -5.853 13.579 1.178 1.00 0.00 ? 13 ASN A N 9 ATOM 12339 C CA . ASN A 1 13 ? -6.993 12.672 1.238 1.00 0.00 ? 13 ASN A CA 9 ATOM 12340 C C . ASN A 1 13 ? -6.928 11.641 0.116 1.00 0.00 ? 13 ASN A C 9 ATOM 12341 O O . ASN A 1 13 ? -7.128 10.447 0.342 1.00 0.00 ? 13 ASN A O 9 ATOM 12342 C CB . ASN A 1 13 ? -8.303 13.458 1.148 1.00 0.00 ? 13 ASN A CB 9 ATOM 12343 C CG . ASN A 1 13 ? -8.808 13.898 2.509 1.00 0.00 ? 13 ASN A CG 9 ATOM 12344 O OD1 . ASN A 1 13 ? -8.971 15.091 2.767 1.00 0.00 ? 13 ASN A OD1 9 ATOM 12345 N ND2 . ASN A 1 13 ? -9.058 12.934 3.387 1.00 0.00 ? 13 ASN A ND2 9 ATOM 12346 H H . ASN A 1 13 ? -5.998 14.510 0.909 1.00 0.00 ? 13 ASN A H 9 ATOM 12347 H HA . ASN A 1 13 ? -6.958 12.157 2.187 1.00 0.00 ? 13 ASN A HA 9 ATOM 12348 H HB2 . ASN A 1 13 ? -8.146 14.338 0.542 1.00 0.00 ? 13 ASN A HB2 9 ATOM 12349 H HB3 . ASN A 1 13 ? -9.057 12.838 0.687 1.00 0.00 ? 13 ASN A HB3 9 ATOM 12350 H HD21 . ASN A 1 13 ? -8.904 12.006 3.112 1.00 0.00 ? 13 ASN A HD21 9 ATOM 12351 H HD22 . ASN A 1 13 ? -9.386 13.190 4.274 1.00 0.00 ? 13 ASN A HD22 9 ATOM 12352 N N . LEU A 1 14 ? -6.645 12.110 -1.095 1.00 0.00 ? 14 LEU A N 9 ATOM 12353 C CA . LEU A 1 14 ? -6.552 11.229 -2.254 1.00 0.00 ? 14 LEU A CA 9 ATOM 12354 C C . LEU A 1 14 ? -5.607 10.064 -1.978 1.00 0.00 ? 14 LEU A C 9 ATOM 12355 O O . LEU A 1 14 ? -5.798 8.962 -2.491 1.00 0.00 ? 14 LEU A O 9 ATOM 12356 C CB . LEU A 1 14 ? -6.072 12.012 -3.477 1.00 0.00 ? 14 LEU A CB 9 ATOM 12357 C CG . LEU A 1 14 ? -7.152 12.750 -4.268 1.00 0.00 ? 14 LEU A CG 9 ATOM 12358 C CD1 . LEU A 1 14 ? -6.565 13.966 -4.967 1.00 0.00 ? 14 LEU A CD1 9 ATOM 12359 C CD2 . LEU A 1 14 ? -7.805 11.817 -5.277 1.00 0.00 ? 14 LEU A CD2 9 ATOM 12360 H H . LEU A 1 14 ? -6.495 13.070 -1.213 1.00 0.00 ? 14 LEU A H 9 ATOM 12361 H HA . LEU A 1 14 ? -7.539 10.837 -2.452 1.00 0.00 ? 14 LEU A HA 9 ATOM 12362 H HB2 . LEU A 1 14 ? -5.352 12.742 -3.140 1.00 0.00 ? 14 LEU A HB2 9 ATOM 12363 H HB3 . LEU A 1 14 ? -5.588 11.315 -4.146 1.00 0.00 ? 14 LEU A HB3 9 ATOM 12364 H HG . LEU A 1 14 ? -7.917 13.095 -3.586 1.00 0.00 ? 14 LEU A HG 9 ATOM 12365 H HD11 . LEU A 1 14 ? -6.865 13.965 -6.004 1.00 0.00 ? 14 LEU A HD11 9 ATOM 12366 H HD12 . LEU A 1 14 ? -5.487 13.933 -4.904 1.00 0.00 ? 14 LEU A HD12 9 ATOM 12367 H HD13 . LEU A 1 14 ? -6.925 14.865 -4.488 1.00 0.00 ? 14 LEU A HD13 9 ATOM 12368 H HD21 . LEU A 1 14 ? -8.287 11.003 -4.755 1.00 0.00 ? 14 LEU A HD21 9 ATOM 12369 H HD22 . LEU A 1 14 ? -7.051 11.421 -5.942 1.00 0.00 ? 14 LEU A HD22 9 ATOM 12370 H HD23 . LEU A 1 14 ? -8.540 12.363 -5.849 1.00 0.00 ? 14 LEU A HD23 9 ATOM 12371 N N . ALA A 1 15 ? -4.587 10.316 -1.163 1.00 0.00 ? 15 ALA A N 9 ATOM 12372 C CA . ALA A 1 15 ? -3.615 9.288 -0.816 1.00 0.00 ? 15 ALA A CA 9 ATOM 12373 C C . ALA A 1 15 ? -4.182 8.324 0.221 1.00 0.00 ? 15 ALA A C 9 ATOM 12374 O O . ALA A 1 15 ? -3.743 7.178 0.323 1.00 0.00 ? 15 ALA A O 9 ATOM 12375 C CB . ALA A 1 15 ? -2.333 9.926 -0.301 1.00 0.00 ? 15 ALA A CB 9 ATOM 12376 H H . ALA A 1 15 ? -4.488 11.215 -0.786 1.00 0.00 ? 15 ALA A H 9 ATOM 12377 H HA . ALA A 1 15 ? -3.377 8.736 -1.714 1.00 0.00 ? 15 ALA A HA 9 ATOM 12378 H HB1 . ALA A 1 15 ? -2.351 10.986 -0.510 1.00 0.00 ? 15 ALA A HB1 9 ATOM 12379 H HB2 . ALA A 1 15 ? -2.256 9.770 0.765 1.00 0.00 ? 15 ALA A HB2 9 ATOM 12380 H HB3 . ALA A 1 15 ? -1.484 9.476 -0.793 1.00 0.00 ? 15 ALA A HB3 9 ATOM 12381 N N . HIS A 1 16 ? -5.159 8.795 0.989 1.00 0.00 ? 16 HIS A N 9 ATOM 12382 C CA . HIS A 1 16 ? -5.786 7.974 2.018 1.00 0.00 ? 16 HIS A CA 9 ATOM 12383 C C . HIS A 1 16 ? -6.746 6.964 1.398 1.00 0.00 ? 16 HIS A C 9 ATOM 12384 O O . HIS A 1 16 ? -6.830 5.820 1.844 1.00 0.00 ? 16 HIS A O 9 ATOM 12385 C CB . HIS A 1 16 ? -6.533 8.857 3.019 1.00 0.00 ? 16 HIS A CB 9 ATOM 12386 C CG . HIS A 1 16 ? -5.659 9.868 3.695 1.00 0.00 ? 16 HIS A CG 9 ATOM 12387 N ND1 . HIS A 1 16 ? -6.155 10.989 4.327 1.00 0.00 ? 16 HIS A ND1 9 ATOM 12388 C CD2 . HIS A 1 16 ? -4.314 9.921 3.838 1.00 0.00 ? 16 HIS A CD2 9 ATOM 12389 C CE1 . HIS A 1 16 ? -5.153 11.689 4.827 1.00 0.00 ? 16 HIS A CE1 9 ATOM 12390 N NE2 . HIS A 1 16 ? -4.025 11.063 4.545 1.00 0.00 ? 16 HIS A NE2 9 ATOM 12391 H H . HIS A 1 16 ? -5.466 9.717 0.859 1.00 0.00 ? 16 HIS A H 9 ATOM 12392 H HA . HIS A 1 16 ? -5.005 7.439 2.537 1.00 0.00 ? 16 HIS A HA 9 ATOM 12393 H HB2 . HIS A 1 16 ? -7.318 9.390 2.503 1.00 0.00 ? 16 HIS A HB2 9 ATOM 12394 H HB3 . HIS A 1 16 ? -6.971 8.231 3.783 1.00 0.00 ? 16 HIS A HB3 9 ATOM 12395 H HD1 . HIS A 1 16 ? -7.100 11.235 4.397 1.00 0.00 ? 16 HIS A HD1 9 ATOM 12396 H HD2 . HIS A 1 16 ? -3.600 9.201 3.465 1.00 0.00 ? 16 HIS A HD2 9 ATOM 12397 H HE1 . HIS A 1 16 ? -5.240 12.615 5.375 1.00 0.00 ? 16 HIS A HE1 9 ATOM 12398 H HE2 . HIS A 1 16 ? -3.126 11.409 4.725 1.00 0.00 ? 16 HIS A HE2 9 ATOM 12399 N N . GLN A 1 17 ? -7.466 7.395 0.368 1.00 0.00 ? 17 GLN A N 9 ATOM 12400 C CA . GLN A 1 17 ? -8.421 6.527 -0.313 1.00 0.00 ? 17 GLN A CA 9 ATOM 12401 C C . GLN A 1 17 ? -7.796 5.172 -0.627 1.00 0.00 ? 17 GLN A C 9 ATOM 12402 O O . GLN A 1 17 ? -8.452 4.136 -0.517 1.00 0.00 ? 17 GLN A O 9 ATOM 12403 C CB . GLN A 1 17 ? -8.913 7.187 -1.602 1.00 0.00 ? 17 GLN A CB 9 ATOM 12404 C CG . GLN A 1 17 ? -9.929 8.293 -1.370 1.00 0.00 ? 17 GLN A CG 9 ATOM 12405 C CD . GLN A 1 17 ? -10.252 9.063 -2.636 1.00 0.00 ? 17 GLN A CD 9 ATOM 12406 O OE1 . GLN A 1 17 ? -10.495 8.474 -3.689 1.00 0.00 ? 17 GLN A OE1 9 ATOM 12407 N NE2 . GLN A 1 17 ? -10.258 10.387 -2.538 1.00 0.00 ? 17 GLN A NE2 9 ATOM 12408 H H . GLN A 1 17 ? -7.354 8.317 0.058 1.00 0.00 ? 17 GLN A H 9 ATOM 12409 H HA . GLN A 1 17 ? -9.262 6.378 0.348 1.00 0.00 ? 17 GLN A HA 9 ATOM 12410 H HB2 . GLN A 1 17 ? -8.066 7.608 -2.123 1.00 0.00 ? 17 GLN A HB2 9 ATOM 12411 H HB3 . GLN A 1 17 ? -9.370 6.433 -2.226 1.00 0.00 ? 17 GLN A HB3 9 ATOM 12412 H HG2 . GLN A 1 17 ? -10.840 7.854 -0.992 1.00 0.00 ? 17 GLN A HG2 9 ATOM 12413 H HG3 . GLN A 1 17 ? -9.531 8.981 -0.639 1.00 0.00 ? 17 GLN A HG3 9 ATOM 12414 H HE21 . GLN A 1 17 ? -10.054 10.788 -1.667 1.00 0.00 ? 17 GLN A HE21 9 ATOM 12415 H HE22 . GLN A 1 17 ? -10.463 10.910 -3.340 1.00 0.00 ? 17 GLN A HE22 9 ATOM 12416 N N . GLN A 1 18 ? -6.527 5.187 -1.019 1.00 0.00 ? 18 GLN A N 9 ATOM 12417 C CA . GLN A 1 18 ? -5.815 3.958 -1.350 1.00 0.00 ? 18 GLN A CA 9 ATOM 12418 C C . GLN A 1 18 ? -5.191 3.338 -0.104 1.00 0.00 ? 18 GLN A C 9 ATOM 12419 O O . GLN A 1 18 ? -5.258 2.125 0.097 1.00 0.00 ? 18 GLN A O 9 ATOM 12420 C CB . GLN A 1 18 ? -4.731 4.237 -2.392 1.00 0.00 ? 18 GLN A CB 9 ATOM 12421 C CG . GLN A 1 18 ? -5.271 4.808 -3.694 1.00 0.00 ? 18 GLN A CG 9 ATOM 12422 C CD . GLN A 1 18 ? -5.714 3.731 -4.664 1.00 0.00 ? 18 GLN A CD 9 ATOM 12423 O OE1 . GLN A 1 18 ? -6.762 3.111 -4.485 1.00 0.00 ? 18 GLN A OE1 9 ATOM 12424 N NE2 . GLN A 1 18 ? -4.915 3.503 -5.701 1.00 0.00 ? 18 GLN A NE2 9 ATOM 12425 H H . GLN A 1 18 ? -6.058 6.044 -1.087 1.00 0.00 ? 18 GLN A H 9 ATOM 12426 H HA . GLN A 1 18 ? -6.529 3.263 -1.764 1.00 0.00 ? 18 GLN A HA 9 ATOM 12427 H HB2 . GLN A 1 18 ? -4.024 4.942 -1.980 1.00 0.00 ? 18 GLN A HB2 9 ATOM 12428 H HB3 . GLN A 1 18 ? -4.217 3.314 -2.616 1.00 0.00 ? 18 GLN A HB3 9 ATOM 12429 H HG2 . GLN A 1 18 ? -6.117 5.440 -3.471 1.00 0.00 ? 18 GLN A HG2 9 ATOM 12430 H HG3 . GLN A 1 18 ? -4.496 5.398 -4.161 1.00 0.00 ? 18 GLN A HG3 9 ATOM 12431 H HE21 . GLN A 1 18 ? -4.095 4.035 -5.778 1.00 0.00 ? 18 GLN A HE21 9 ATOM 12432 H HE22 . GLN A 1 18 ? -5.177 2.812 -6.343 1.00 0.00 ? 18 GLN A HE22 9 ATOM 12433 N N . SER A 1 19 ? -4.584 4.178 0.729 1.00 0.00 ? 19 SER A N 9 ATOM 12434 C CA . SER A 1 19 ? -3.945 3.711 1.953 1.00 0.00 ? 19 SER A CA 9 ATOM 12435 C C . SER A 1 19 ? -4.839 2.716 2.688 1.00 0.00 ? 19 SER A C 9 ATOM 12436 O O . SER A 1 19 ? -4.354 1.769 3.307 1.00 0.00 ? 19 SER A O 9 ATOM 12437 C CB . SER A 1 19 ? -3.620 4.894 2.867 1.00 0.00 ? 19 SER A CB 9 ATOM 12438 O OG . SER A 1 19 ? -4.713 5.197 3.717 1.00 0.00 ? 19 SER A OG 9 ATOM 12439 H H . SER A 1 19 ? -4.564 5.134 0.513 1.00 0.00 ? 19 SER A H 9 ATOM 12440 H HA . SER A 1 19 ? -3.025 3.216 1.679 1.00 0.00 ? 19 SER A HA 9 ATOM 12441 H HB2 . SER A 1 19 ? -2.763 4.651 3.476 1.00 0.00 ? 19 SER A HB2 9 ATOM 12442 H HB3 . SER A 1 19 ? -3.398 5.762 2.263 1.00 0.00 ? 19 SER A HB3 9 ATOM 12443 H HG . SER A 1 19 ? -4.763 4.544 4.419 1.00 0.00 ? 19 SER A HG 9 ATOM 12444 N N . ARG A 1 20 ? -6.147 2.940 2.615 1.00 0.00 ? 20 ARG A N 9 ATOM 12445 C CA . ARG A 1 20 ? -7.109 2.065 3.273 1.00 0.00 ? 20 ARG A CA 9 ATOM 12446 C C . ARG A 1 20 ? -7.293 0.770 2.487 1.00 0.00 ? 20 ARG A C 9 ATOM 12447 O O . ARG A 1 20 ? -7.528 -0.291 3.066 1.00 0.00 ? 20 ARG A O 9 ATOM 12448 C CB . ARG A 1 20 ? -8.455 2.776 3.427 1.00 0.00 ? 20 ARG A CB 9 ATOM 12449 C CG . ARG A 1 20 ? -8.402 3.987 4.344 1.00 0.00 ? 20 ARG A CG 9 ATOM 12450 C CD . ARG A 1 20 ? -9.705 4.769 4.310 1.00 0.00 ? 20 ARG A CD 9 ATOM 12451 N NE . ARG A 1 20 ? -10.654 4.296 5.315 1.00 0.00 ? 20 ARG A NE 9 ATOM 12452 C CZ . ARG A 1 20 ? -10.450 4.399 6.624 1.00 0.00 ? 20 ARG A CZ 9 ATOM 12453 N NH1 . ARG A 1 20 ? -9.338 4.956 7.083 1.00 0.00 ? 20 ARG A NH1 9 ATOM 12454 N NH2 . ARG A 1 20 ? -11.360 3.945 7.476 1.00 0.00 ? 20 ARG A NH2 9 ATOM 12455 H H . ARG A 1 20 ? -6.472 3.711 2.106 1.00 0.00 ? 20 ARG A H 9 ATOM 12456 H HA . ARG A 1 20 ? -6.724 1.826 4.253 1.00 0.00 ? 20 ARG A HA 9 ATOM 12457 H HB2 . ARG A 1 20 ? -8.790 3.104 2.454 1.00 0.00 ? 20 ARG A HB2 9 ATOM 12458 H HB3 . ARG A 1 20 ? -9.173 2.078 3.830 1.00 0.00 ? 20 ARG A HB3 9 ATOM 12459 H HG2 . ARG A 1 20 ? -8.221 3.654 5.356 1.00 0.00 ? 20 ARG A HG2 9 ATOM 12460 H HG3 . ARG A 1 20 ? -7.596 4.633 4.026 1.00 0.00 ? 20 ARG A HG3 9 ATOM 12461 H HD2 . ARG A 1 20 ? -9.490 5.811 4.495 1.00 0.00 ? 20 ARG A HD2 9 ATOM 12462 H HD3 . ARG A 1 20 ? -10.148 4.662 3.331 1.00 0.00 ? 20 ARG A HD3 9 ATOM 12463 H HE . ARG A 1 20 ? -11.482 3.882 4.998 1.00 0.00 ? 20 ARG A HE 9 ATOM 12464 H HH11 . ARG A 1 20 ? -8.651 5.300 6.443 1.00 0.00 ? 20 ARG A HH11 9 ATOM 12465 H HH12 . ARG A 1 20 ? -9.188 5.034 8.069 1.00 0.00 ? 20 ARG A HH12 9 ATOM 12466 H HH21 . ARG A 1 20 ? -12.200 3.525 7.133 1.00 0.00 ? 20 ARG A HH21 9 ATOM 12467 H HH22 . ARG A 1 20 ? -11.206 4.023 8.460 1.00 0.00 ? 20 ARG A HH22 9 ATOM 12468 N N . ARG A 1 21 ? -7.187 0.865 1.166 1.00 0.00 ? 21 ARG A N 9 ATOM 12469 C CA . ARG A 1 21 ? -7.343 -0.298 0.301 1.00 0.00 ? 21 ARG A CA 9 ATOM 12470 C C . ARG A 1 21 ? -6.221 -1.305 0.536 1.00 0.00 ? 21 ARG A C 9 ATOM 12471 O O . ARG A 1 21 ? -6.474 -2.484 0.783 1.00 0.00 ? 21 ARG A O 9 ATOM 12472 C CB . ARG A 1 21 ? -7.359 0.131 -1.167 1.00 0.00 ? 21 ARG A CB 9 ATOM 12473 C CG . ARG A 1 21 ? -7.596 -1.018 -2.134 1.00 0.00 ? 21 ARG A CG 9 ATOM 12474 C CD . ARG A 1 21 ? -7.249 -0.624 -3.562 1.00 0.00 ? 21 ARG A CD 9 ATOM 12475 N NE . ARG A 1 21 ? -7.306 -1.764 -4.473 1.00 0.00 ? 21 ARG A NE 9 ATOM 12476 C CZ . ARG A 1 21 ? -7.006 -1.689 -5.764 1.00 0.00 ? 21 ARG A CZ 9 ATOM 12477 N NH1 . ARG A 1 21 ? -6.628 -0.533 -6.294 1.00 0.00 ? 21 ARG A NH1 9 ATOM 12478 N NH2 . ARG A 1 21 ? -7.082 -2.771 -6.529 1.00 0.00 ? 21 ARG A NH2 9 ATOM 12479 H H . ARG A 1 21 ? -6.999 1.739 0.763 1.00 0.00 ? 21 ARG A H 9 ATOM 12480 H HA . ARG A 1 21 ? -8.287 -0.765 0.541 1.00 0.00 ? 21 ARG A HA 9 ATOM 12481 H HB2 . ARG A 1 21 ? -8.144 0.859 -1.309 1.00 0.00 ? 21 ARG A HB2 9 ATOM 12482 H HB3 . ARG A 1 21 ? -6.410 0.585 -1.407 1.00 0.00 ? 21 ARG A HB3 9 ATOM 12483 H HG2 . ARG A 1 21 ? -6.978 -1.854 -1.843 1.00 0.00 ? 21 ARG A HG2 9 ATOM 12484 H HG3 . ARG A 1 21 ? -8.637 -1.303 -2.091 1.00 0.00 ? 21 ARG A HG3 9 ATOM 12485 H HD2 . ARG A 1 21 ? -7.951 0.126 -3.895 1.00 0.00 ? 21 ARG A HD2 9 ATOM 12486 H HD3 . ARG A 1 21 ? -6.250 -0.214 -3.575 1.00 0.00 ? 21 ARG A HD3 9 ATOM 12487 H HE . ARG A 1 21 ? -7.583 -2.628 -4.102 1.00 0.00 ? 21 ARG A HE 9 ATOM 12488 H HH11 . ARG A 1 21 ? -6.569 0.283 -5.720 1.00 0.00 ? 21 ARG A HH11 9 ATOM 12489 H HH12 . ARG A 1 21 ? -6.401 -0.480 -7.267 1.00 0.00 ? 21 ARG A HH12 9 ATOM 12490 H HH21 . ARG A 1 21 ? -7.366 -3.643 -6.133 1.00 0.00 ? 21 ARG A HH21 9 ATOM 12491 H HH22 . ARG A 1 21 ? -6.855 -2.713 -7.501 1.00 0.00 ? 21 ARG A HH22 9 ATOM 12492 N N . ALA A 1 22 ? -4.982 -0.832 0.456 1.00 0.00 ? 22 ALA A N 9 ATOM 12493 C CA . ALA A 1 22 ? -3.822 -1.690 0.661 1.00 0.00 ? 22 ALA A CA 9 ATOM 12494 C C . ALA A 1 22 ? -4.012 -2.588 1.879 1.00 0.00 ? 22 ALA A C 9 ATOM 12495 O O . ALA A 1 22 ? -3.555 -3.731 1.896 1.00 0.00 ? 22 ALA A O 9 ATOM 12496 C CB . ALA A 1 22 ? -2.563 -0.849 0.814 1.00 0.00 ? 22 ALA A CB 9 ATOM 12497 H H . ALA A 1 22 ? -4.845 0.117 0.255 1.00 0.00 ? 22 ALA A H 9 ATOM 12498 H HA . ALA A 1 22 ? -3.706 -2.310 -0.217 1.00 0.00 ? 22 ALA A HA 9 ATOM 12499 H HB1 . ALA A 1 22 ? -1.733 -1.356 0.344 1.00 0.00 ? 22 ALA A HB1 9 ATOM 12500 H HB2 . ALA A 1 22 ? -2.713 0.111 0.343 1.00 0.00 ? 22 ALA A HB2 9 ATOM 12501 H HB3 . ALA A 1 22 ? -2.351 -0.707 1.863 1.00 0.00 ? 22 ALA A HB3 9 ATOM 12502 N N . ASP A 1 23 ? -4.687 -2.063 2.895 1.00 0.00 ? 23 ASP A N 9 ATOM 12503 C CA . ASP A 1 23 ? -4.938 -2.818 4.117 1.00 0.00 ? 23 ASP A CA 9 ATOM 12504 C C . ASP A 1 23 ? -5.948 -3.933 3.870 1.00 0.00 ? 23 ASP A C 9 ATOM 12505 O O . ASP A 1 23 ? -5.674 -5.104 4.136 1.00 0.00 ? 23 ASP A O 9 ATOM 12506 C CB . ASP A 1 23 ? -5.445 -1.889 5.221 1.00 0.00 ? 23 ASP A CB 9 ATOM 12507 C CG . ASP A 1 23 ? -5.787 -2.635 6.495 1.00 0.00 ? 23 ASP A CG 9 ATOM 12508 O OD1 . ASP A 1 23 ? -4.902 -3.339 7.027 1.00 0.00 ? 23 ASP A OD1 9 ATOM 12509 O OD2 . ASP A 1 23 ? -6.939 -2.516 6.962 1.00 0.00 ? 23 ASP A OD2 9 ATOM 12510 H H . ASP A 1 23 ? -5.026 -1.146 2.821 1.00 0.00 ? 23 ASP A H 9 ATOM 12511 H HA . ASP A 1 23 ? -4.004 -3.259 4.432 1.00 0.00 ? 23 ASP A HA 9 ATOM 12512 H HB2 . ASP A 1 23 ? -4.682 -1.159 5.448 1.00 0.00 ? 23 ASP A HB2 9 ATOM 12513 H HB3 . ASP A 1 23 ? -6.332 -1.380 4.874 1.00 0.00 ? 23 ASP A HB3 9 ATOM 12514 N N . ARG A 1 24 ? -7.119 -3.562 3.360 1.00 0.00 ? 24 ARG A N 9 ATOM 12515 C CA . ARG A 1 24 ? -8.171 -4.531 3.079 1.00 0.00 ? 24 ARG A CA 9 ATOM 12516 C C . ARG A 1 24 ? -7.641 -5.676 2.220 1.00 0.00 ? 24 ARG A C 9 ATOM 12517 O O . ARG A 1 24 ? -8.170 -6.788 2.254 1.00 0.00 ? 24 ARG A O 9 ATOM 12518 C CB . ARG A 1 24 ? -9.345 -3.851 2.373 1.00 0.00 ? 24 ARG A CB 9 ATOM 12519 C CG . ARG A 1 24 ? -10.343 -3.213 3.326 1.00 0.00 ? 24 ARG A CG 9 ATOM 12520 C CD . ARG A 1 24 ? -11.405 -4.208 3.767 1.00 0.00 ? 24 ARG A CD 9 ATOM 12521 N NE . ARG A 1 24 ? -12.598 -3.541 4.283 1.00 0.00 ? 24 ARG A NE 9 ATOM 12522 C CZ . ARG A 1 24 ? -13.560 -4.169 4.949 1.00 0.00 ? 24 ARG A CZ 9 ATOM 12523 N NH1 . ARG A 1 24 ? -13.471 -5.472 5.179 1.00 0.00 ? 24 ARG A NH1 9 ATOM 12524 N NH2 . ARG A 1 24 ? -14.615 -3.494 5.387 1.00 0.00 ? 24 ARG A NH2 9 ATOM 12525 H H . ARG A 1 24 ? -7.278 -2.615 3.169 1.00 0.00 ? 24 ARG A H 9 ATOM 12526 H HA . ARG A 1 24 ? -8.513 -4.932 4.021 1.00 0.00 ? 24 ARG A HA 9 ATOM 12527 H HB2 . ARG A 1 24 ? -8.960 -3.080 1.721 1.00 0.00 ? 24 ARG A HB2 9 ATOM 12528 H HB3 . ARG A 1 24 ? -9.867 -4.585 1.778 1.00 0.00 ? 24 ARG A HB3 9 ATOM 12529 H HG2 . ARG A 1 24 ? -9.815 -2.855 4.198 1.00 0.00 ? 24 ARG A HG2 9 ATOM 12530 H HG3 . ARG A 1 24 ? -10.822 -2.384 2.828 1.00 0.00 ? 24 ARG A HG3 9 ATOM 12531 H HD2 . ARG A 1 24 ? -11.683 -4.817 2.921 1.00 0.00 ? 24 ARG A HD2 9 ATOM 12532 H HD3 . ARG A 1 24 ? -10.991 -4.835 4.542 1.00 0.00 ? 24 ARG A HD3 9 ATOM 12533 H HE . ARG A 1 24 ? -12.684 -2.579 4.125 1.00 0.00 ? 24 ARG A HE 9 ATOM 12534 H HH11 . ARG A 1 24 ? -12.676 -5.983 4.851 1.00 0.00 ? 24 ARG A HH11 9 ATOM 12535 H HH12 . ARG A 1 24 ? -14.196 -5.942 5.681 1.00 0.00 ? 24 ARG A HH12 9 ATOM 12536 H HH21 . ARG A 1 24 ? -14.686 -2.512 5.216 1.00 0.00 ? 24 ARG A HH21 9 ATOM 12537 H HH22 . ARG A 1 24 ? -15.339 -3.967 5.888 1.00 0.00 ? 24 ARG A HH22 9 ATOM 12538 N N . LEU A 1 25 ? -6.595 -5.396 1.452 1.00 0.00 ? 25 LEU A N 9 ATOM 12539 C CA . LEU A 1 25 ? -5.993 -6.402 0.583 1.00 0.00 ? 25 LEU A CA 9 ATOM 12540 C C . LEU A 1 25 ? -5.067 -7.321 1.374 1.00 0.00 ? 25 LEU A C 9 ATOM 12541 O O . LEU A 1 25 ? -5.113 -8.543 1.227 1.00 0.00 ? 25 LEU A O 9 ATOM 12542 C CB . LEU A 1 25 ? -5.216 -5.728 -0.549 1.00 0.00 ? 25 LEU A CB 9 ATOM 12543 C CG . LEU A 1 25 ? -6.059 -5.069 -1.642 1.00 0.00 ? 25 LEU A CG 9 ATOM 12544 C CD1 . LEU A 1 25 ? -5.241 -4.030 -2.393 1.00 0.00 ? 25 LEU A CD1 9 ATOM 12545 C CD2 . LEU A 1 25 ? -6.603 -6.118 -2.601 1.00 0.00 ? 25 LEU A CD2 9 ATOM 12546 H H . LEU A 1 25 ? -6.217 -4.493 1.468 1.00 0.00 ? 25 LEU A H 9 ATOM 12547 H HA . LEU A 1 25 ? -6.791 -6.994 0.159 1.00 0.00 ? 25 LEU A HA 9 ATOM 12548 H HB2 . LEU A 1 25 ? -4.589 -4.967 -0.112 1.00 0.00 ? 25 LEU A HB2 9 ATOM 12549 H HB3 . LEU A 1 25 ? -4.595 -6.479 -1.017 1.00 0.00 ? 25 LEU A HB3 9 ATOM 12550 H HG . LEU A 1 25 ? -6.899 -4.565 -1.185 1.00 0.00 ? 25 LEU A HG 9 ATOM 12551 H HD11 . LEU A 1 25 ? -5.576 -3.981 -3.418 1.00 0.00 ? 25 LEU A HD11 9 ATOM 12552 H HD12 . LEU A 1 25 ? -4.198 -4.306 -2.367 1.00 0.00 ? 25 LEU A HD12 9 ATOM 12553 H HD13 . LEU A 1 25 ? -5.370 -3.064 -1.926 1.00 0.00 ? 25 LEU A HD13 9 ATOM 12554 H HD21 . LEU A 1 25 ? -5.834 -6.390 -3.309 1.00 0.00 ? 25 LEU A HD21 9 ATOM 12555 H HD22 . LEU A 1 25 ? -7.453 -5.714 -3.131 1.00 0.00 ? 25 LEU A HD22 9 ATOM 12556 H HD23 . LEU A 1 25 ? -6.906 -6.992 -2.045 1.00 0.00 ? 25 LEU A HD23 9 ATOM 12557 N N . LEU A 1 26 ? -4.228 -6.725 2.214 1.00 0.00 ? 26 LEU A N 9 ATOM 12558 C CA . LEU A 1 26 ? -3.291 -7.489 3.031 1.00 0.00 ? 26 LEU A CA 9 ATOM 12559 C C . LEU A 1 26 ? -4.006 -8.621 3.763 1.00 0.00 ? 26 LEU A C 9 ATOM 12560 O O . LEU A 1 26 ? -3.495 -9.737 3.850 1.00 0.00 ? 26 LEU A O 9 ATOM 12561 C CB . LEU A 1 26 ? -2.596 -6.572 4.038 1.00 0.00 ? 26 LEU A CB 9 ATOM 12562 C CG . LEU A 1 26 ? -2.089 -7.242 5.316 1.00 0.00 ? 26 LEU A CG 9 ATOM 12563 C CD1 . LEU A 1 26 ? -1.025 -8.278 4.989 1.00 0.00 ? 26 LEU A CD1 9 ATOM 12564 C CD2 . LEU A 1 26 ? -1.542 -6.201 6.282 1.00 0.00 ? 26 LEU A CD2 9 ATOM 12565 H H . LEU A 1 26 ? -4.237 -5.748 2.287 1.00 0.00 ? 26 LEU A H 9 ATOM 12566 H HA . LEU A 1 26 ? -2.549 -7.915 2.372 1.00 0.00 ? 26 LEU A HA 9 ATOM 12567 H HB2 . LEU A 1 26 ? -1.751 -6.119 3.545 1.00 0.00 ? 26 LEU A HB2 9 ATOM 12568 H HB3 . LEU A 1 26 ? -3.300 -5.803 4.324 1.00 0.00 ? 26 LEU A HB3 9 ATOM 12569 H HG . LEU A 1 26 ? -2.912 -7.749 5.800 1.00 0.00 ? 26 LEU A HG 9 ATOM 12570 H HD11 . LEU A 1 26 ? -0.316 -8.335 5.801 1.00 0.00 ? 26 LEU A HD11 9 ATOM 12571 H HD12 . LEU A 1 26 ? -0.513 -7.995 4.082 1.00 0.00 ? 26 LEU A HD12 9 ATOM 12572 H HD13 . LEU A 1 26 ? -1.493 -9.242 4.851 1.00 0.00 ? 26 LEU A HD13 9 ATOM 12573 H HD21 . LEU A 1 26 ? -0.675 -5.727 5.848 1.00 0.00 ? 26 LEU A HD21 9 ATOM 12574 H HD22 . LEU A 1 26 ? -1.263 -6.681 7.209 1.00 0.00 ? 26 LEU A HD22 9 ATOM 12575 H HD23 . LEU A 1 26 ? -2.300 -5.456 6.476 1.00 0.00 ? 26 LEU A HD23 9 ATOM 12576 N N . ALA A 1 27 ? -5.190 -8.324 4.287 1.00 0.00 ? 27 ALA A N 9 ATOM 12577 C CA . ALA A 1 27 ? -5.977 -9.317 5.009 1.00 0.00 ? 27 ALA A CA 9 ATOM 12578 C C . ALA A 1 27 ? -6.360 -10.479 4.100 1.00 0.00 ? 27 ALA A C 9 ATOM 12579 O O . ALA A 1 27 ? -6.447 -11.624 4.543 1.00 0.00 ? 27 ALA A O 9 ATOM 12580 C CB . ALA A 1 27 ? -7.222 -8.674 5.601 1.00 0.00 ? 27 ALA A CB 9 ATOM 12581 H H . ALA A 1 27 ? -5.544 -7.416 4.185 1.00 0.00 ? 27 ALA A H 9 ATOM 12582 H HA . ALA A 1 27 ? -5.374 -9.693 5.823 1.00 0.00 ? 27 ALA A HA 9 ATOM 12583 H HB1 . ALA A 1 27 ? -8.051 -9.363 5.527 1.00 0.00 ? 27 ALA A HB1 9 ATOM 12584 H HB2 . ALA A 1 27 ? -7.045 -8.434 6.639 1.00 0.00 ? 27 ALA A HB2 9 ATOM 12585 H HB3 . ALA A 1 27 ? -7.455 -7.771 5.057 1.00 0.00 ? 27 ALA A HB3 9 ATOM 12586 N N . ALA A 1 28 ? -6.589 -10.178 2.826 1.00 0.00 ? 28 ALA A N 9 ATOM 12587 C CA . ALA A 1 28 ? -6.962 -11.198 1.854 1.00 0.00 ? 28 ALA A CA 9 ATOM 12588 C C . ALA A 1 28 ? -5.728 -11.813 1.203 1.00 0.00 ? 28 ALA A C 9 ATOM 12589 O O . ALA A 1 28 ? -5.821 -12.461 0.161 1.00 0.00 ? 28 ALA A O 9 ATOM 12590 C CB . ALA A 1 28 ? -7.881 -10.608 0.795 1.00 0.00 ? 28 ALA A CB 9 ATOM 12591 H H . ALA A 1 28 ? -6.504 -9.247 2.532 1.00 0.00 ? 28 ALA A H 9 ATOM 12592 H HA . ALA A 1 28 ? -7.505 -11.973 2.376 1.00 0.00 ? 28 ALA A HA 9 ATOM 12593 H HB1 . ALA A 1 28 ? -8.543 -9.889 1.255 1.00 0.00 ? 28 ALA A HB1 9 ATOM 12594 H HB2 . ALA A 1 28 ? -7.289 -10.119 0.036 1.00 0.00 ? 28 ALA A HB2 9 ATOM 12595 H HB3 . ALA A 1 28 ? -8.464 -11.397 0.344 1.00 0.00 ? 28 ALA A HB3 9 ATOM 12596 N N . GLY A 1 29 ? -4.571 -11.606 1.824 1.00 0.00 ? 29 GLY A N 9 ATOM 12597 C CA . GLY A 1 29 ? -3.334 -12.146 1.290 1.00 0.00 ? 29 GLY A CA 9 ATOM 12598 C C . GLY A 1 29 ? -2.995 -11.577 -0.074 1.00 0.00 ? 29 GLY A C 9 ATOM 12599 O O . GLY A 1 29 ? -2.180 -12.141 -0.805 1.00 0.00 ? 29 GLY A O 9 ATOM 12600 H H . GLY A 1 29 ? -4.557 -11.082 2.652 1.00 0.00 ? 29 GLY A H 9 ATOM 12601 H HA2 . GLY A 1 29 ? -2.530 -11.919 1.973 1.00 0.00 ? 29 GLY A HA2 9 ATOM 12602 H HA3 . GLY A 1 29 ? -3.430 -13.219 1.205 1.00 0.00 ? 29 GLY A HA3 9 ATOM 12603 N N . LYS A 1 30 ? -3.622 -10.458 -0.419 1.00 0.00 ? 30 LYS A N 9 ATOM 12604 C CA . LYS A 1 30 ? -3.384 -9.812 -1.704 1.00 0.00 ? 30 LYS A CA 9 ATOM 12605 C C . LYS A 1 30 ? -2.227 -8.822 -1.609 1.00 0.00 ? 30 LYS A C 9 ATOM 12606 O O . LYS A 1 30 ? -2.292 -7.722 -2.158 1.00 0.00 ? 30 LYS A O 9 ATOM 12607 C CB . LYS A 1 30 ? -4.648 -9.091 -2.179 1.00 0.00 ? 30 LYS A CB 9 ATOM 12608 C CG . LYS A 1 30 ? -5.785 -10.031 -2.539 1.00 0.00 ? 30 LYS A CG 9 ATOM 12609 C CD . LYS A 1 30 ? -5.634 -10.574 -3.950 1.00 0.00 ? 30 LYS A CD 9 ATOM 12610 C CE . LYS A 1 30 ? -6.983 -10.931 -4.556 1.00 0.00 ? 30 LYS A CE 9 ATOM 12611 N NZ . LYS A 1 30 ? -7.367 -12.340 -4.263 1.00 0.00 ? 30 LYS A NZ 9 ATOM 12612 H H . LYS A 1 30 ? -4.261 -10.056 0.207 1.00 0.00 ? 30 LYS A H 9 ATOM 12613 H HA . LYS A 1 30 ? -3.127 -10.579 -2.419 1.00 0.00 ? 30 LYS A HA 9 ATOM 12614 H HB2 . LYS A 1 30 ? -4.988 -8.432 -1.394 1.00 0.00 ? 30 LYS A HB2 9 ATOM 12615 H HB3 . LYS A 1 30 ? -4.405 -8.502 -3.052 1.00 0.00 ? 30 LYS A HB3 9 ATOM 12616 H HG2 . LYS A 1 30 ? -5.789 -10.859 -1.845 1.00 0.00 ? 30 LYS A HG2 9 ATOM 12617 H HG3 . LYS A 1 30 ? -6.720 -9.494 -2.467 1.00 0.00 ? 30 LYS A HG3 9 ATOM 12618 H HD2 . LYS A 1 30 ? -5.162 -9.824 -4.567 1.00 0.00 ? 30 LYS A HD2 9 ATOM 12619 H HD3 . LYS A 1 30 ? -5.016 -11.460 -3.921 1.00 0.00 ? 30 LYS A HD3 9 ATOM 12620 H HE2 . LYS A 1 30 ? -7.732 -10.270 -4.150 1.00 0.00 ? 30 LYS A HE2 9 ATOM 12621 H HE3 . LYS A 1 30 ? -6.928 -10.797 -5.627 1.00 0.00 ? 30 LYS A HE3 9 ATOM 12622 H HZ1 . LYS A 1 30 ? -6.780 -12.717 -3.492 1.00 0.00 ? 30 LYS A HZ1 9 ATOM 12623 H HZ2 . LYS A 1 30 ? -7.231 -12.931 -5.108 1.00 0.00 ? 30 LYS A HZ2 9 ATOM 12624 H HZ3 . LYS A 1 30 ? -8.366 -12.385 -3.978 1.00 0.00 ? 30 LYS A HZ3 9 ATOM 12625 N N . TYR A 1 31 ? -1.170 -9.220 -0.910 1.00 0.00 ? 31 TYR A N 9 ATOM 12626 C CA . TYR A 1 31 ? 0.001 -8.367 -0.742 1.00 0.00 ? 31 TYR A CA 9 ATOM 12627 C C . TYR A 1 31 ? 0.346 -7.653 -2.045 1.00 0.00 ? 31 TYR A C 9 ATOM 12628 O O . TYR A 1 31 ? 0.391 -6.425 -2.099 1.00 0.00 ? 31 TYR A O 9 ATOM 12629 C CB . TYR A 1 31 ? 1.197 -9.195 -0.269 1.00 0.00 ? 31 TYR A CB 9 ATOM 12630 C CG . TYR A 1 31 ? 0.953 -9.922 1.034 1.00 0.00 ? 31 TYR A CG 9 ATOM 12631 C CD1 . TYR A 1 31 ? 0.272 -11.133 1.059 1.00 0.00 ? 31 TYR A CD1 9 ATOM 12632 C CD2 . TYR A 1 31 ? 1.404 -9.399 2.239 1.00 0.00 ? 31 TYR A CD2 9 ATOM 12633 C CE1 . TYR A 1 31 ? 0.046 -11.801 2.247 1.00 0.00 ? 31 TYR A CE1 9 ATOM 12634 C CE2 . TYR A 1 31 ? 1.184 -10.061 3.432 1.00 0.00 ? 31 TYR A CE2 9 ATOM 12635 C CZ . TYR A 1 31 ? 0.504 -11.261 3.431 1.00 0.00 ? 31 TYR A CZ 9 ATOM 12636 O OH . TYR A 1 31 ? 0.282 -11.923 4.616 1.00 0.00 ? 31 TYR A OH 9 ATOM 12637 H H . TYR A 1 31 ? -1.177 -10.108 -0.495 1.00 0.00 ? 31 TYR A H 9 ATOM 12638 H HA . TYR A 1 31 ? -0.233 -7.628 0.010 1.00 0.00 ? 31 TYR A HA 9 ATOM 12639 H HB2 . TYR A 1 31 ? 1.436 -9.932 -1.020 1.00 0.00 ? 31 TYR A HB2 9 ATOM 12640 H HB3 . TYR A 1 31 ? 2.046 -8.541 -0.130 1.00 0.00 ? 31 TYR A HB3 9 ATOM 12641 H HD1 . TYR A 1 31 ? -0.085 -11.554 0.130 1.00 0.00 ? 31 TYR A HD1 9 ATOM 12642 H HD2 . TYR A 1 31 ? 1.936 -8.459 2.237 1.00 0.00 ? 31 TYR A HD2 9 ATOM 12643 H HE1 . TYR A 1 31 ? -0.486 -12.741 2.246 1.00 0.00 ? 31 TYR A HE1 9 ATOM 12644 H HE2 . TYR A 1 31 ? 1.542 -9.638 4.359 1.00 0.00 ? 31 TYR A HE2 9 ATOM 12645 H HH . TYR A 1 31 ? 1.034 -11.796 5.200 1.00 0.00 ? 31 TYR A HH 9 ATOM 12646 N N . GLU A 1 32 ? 0.588 -8.433 -3.094 1.00 0.00 ? 32 GLU A N 9 ATOM 12647 C CA . GLU A 1 32 ? 0.929 -7.876 -4.398 1.00 0.00 ? 32 GLU A CA 9 ATOM 12648 C C . GLU A 1 32 ? 0.031 -6.688 -4.733 1.00 0.00 ? 32 GLU A C 9 ATOM 12649 O O . GLU A 1 32 ? 0.509 -5.635 -5.151 1.00 0.00 ? 32 GLU A O 9 ATOM 12650 C CB . GLU A 1 32 ? 0.804 -8.947 -5.483 1.00 0.00 ? 32 GLU A CB 9 ATOM 12651 C CG . GLU A 1 32 ? 1.467 -8.563 -6.796 1.00 0.00 ? 32 GLU A CG 9 ATOM 12652 C CD . GLU A 1 32 ? 0.952 -9.375 -7.969 1.00 0.00 ? 32 GLU A CD 9 ATOM 12653 O OE1 . GLU A 1 32 ? 1.250 -10.586 -8.029 1.00 0.00 ? 32 GLU A OE1 9 ATOM 12654 O OE2 . GLU A 1 32 ? 0.252 -8.798 -8.827 1.00 0.00 ? 32 GLU A OE2 9 ATOM 12655 H H . GLU A 1 32 ? 0.536 -9.406 -2.989 1.00 0.00 ? 32 GLU A H 9 ATOM 12656 H HA . GLU A 1 32 ? 1.953 -7.537 -4.356 1.00 0.00 ? 32 GLU A HA 9 ATOM 12657 H HB2 . GLU A 1 32 ? 1.258 -9.859 -5.127 1.00 0.00 ? 32 GLU A HB2 9 ATOM 12658 H HB3 . GLU A 1 32 ? -0.244 -9.128 -5.674 1.00 0.00 ? 32 GLU A HB3 9 ATOM 12659 H HG2 . GLU A 1 32 ? 1.276 -7.519 -6.989 1.00 0.00 ? 32 GLU A HG2 9 ATOM 12660 H HG3 . GLU A 1 32 ? 2.532 -8.723 -6.706 1.00 0.00 ? 32 GLU A HG3 9 ATOM 12661 N N . GLU A 1 33 ? -1.273 -6.869 -4.547 1.00 0.00 ? 33 GLU A N 9 ATOM 12662 C CA . GLU A 1 33 ? -2.238 -5.813 -4.832 1.00 0.00 ? 33 GLU A CA 9 ATOM 12663 C C . GLU A 1 33 ? -1.958 -4.577 -3.982 1.00 0.00 ? 33 GLU A C 9 ATOM 12664 O O . GLU A 1 33 ? -1.994 -3.450 -4.475 1.00 0.00 ? 33 GLU A O 9 ATOM 12665 C CB . GLU A 1 33 ? -3.662 -6.310 -4.575 1.00 0.00 ? 33 GLU A CB 9 ATOM 12666 C CG . GLU A 1 33 ? -4.053 -7.504 -5.430 1.00 0.00 ? 33 GLU A CG 9 ATOM 12667 C CD . GLU A 1 33 ? -3.619 -7.354 -6.875 1.00 0.00 ? 33 GLU A CD 9 ATOM 12668 O OE1 . GLU A 1 33 ? -2.403 -7.451 -7.143 1.00 0.00 ? 33 GLU A OE1 9 ATOM 12669 O OE2 . GLU A 1 33 ? -4.495 -7.140 -7.738 1.00 0.00 ? 33 GLU A OE2 9 ATOM 12670 H H . GLU A 1 33 ? -1.594 -7.732 -4.212 1.00 0.00 ? 33 GLU A H 9 ATOM 12671 H HA . GLU A 1 33 ? -2.141 -5.547 -5.874 1.00 0.00 ? 33 GLU A HA 9 ATOM 12672 H HB2 . GLU A 1 33 ? -3.750 -6.592 -3.536 1.00 0.00 ? 33 GLU A HB2 9 ATOM 12673 H HB3 . GLU A 1 33 ? -4.353 -5.505 -4.780 1.00 0.00 ? 33 GLU A HB3 9 ATOM 12674 H HG2 . GLU A 1 33 ? -3.591 -8.390 -5.021 1.00 0.00 ? 33 GLU A HG2 9 ATOM 12675 H HG3 . GLU A 1 33 ? -5.127 -7.614 -5.402 1.00 0.00 ? 33 GLU A HG3 9 ATOM 12676 N N . ALA A 1 34 ? -1.679 -4.797 -2.701 1.00 0.00 ? 34 ALA A N 9 ATOM 12677 C CA . ALA A 1 34 ? -1.391 -3.703 -1.782 1.00 0.00 ? 34 ALA A CA 9 ATOM 12678 C C . ALA A 1 34 ? -0.098 -2.991 -2.164 1.00 0.00 ? 34 ALA A C 9 ATOM 12679 O O . ALA A 1 34 ? 0.005 -1.769 -2.051 1.00 0.00 ? 34 ALA A O 9 ATOM 12680 C CB . ALA A 1 34 ? -1.309 -4.221 -0.354 1.00 0.00 ? 34 ALA A CB 9 ATOM 12681 H H . ALA A 1 34 ? -1.665 -5.718 -2.367 1.00 0.00 ? 34 ALA A H 9 ATOM 12682 H HA . ALA A 1 34 ? -2.208 -2.998 -1.837 1.00 0.00 ? 34 ALA A HA 9 ATOM 12683 H HB1 . ALA A 1 34 ? -0.304 -4.086 0.019 1.00 0.00 ? 34 ALA A HB1 9 ATOM 12684 H HB2 . ALA A 1 34 ? -2.001 -3.673 0.268 1.00 0.00 ? 34 ALA A HB2 9 ATOM 12685 H HB3 . ALA A 1 34 ? -1.562 -5.270 -0.337 1.00 0.00 ? 34 ALA A HB3 9 ATOM 12686 N N . ILE A 1 35 ? 0.885 -3.762 -2.615 1.00 0.00 ? 35 ILE A N 9 ATOM 12687 C CA . ILE A 1 35 ? 2.172 -3.204 -3.014 1.00 0.00 ? 35 ILE A CA 9 ATOM 12688 C C . ILE A 1 35 ? 2.000 -2.147 -4.100 1.00 0.00 ? 35 ILE A C 9 ATOM 12689 O O . ILE A 1 35 ? 2.271 -0.967 -3.880 1.00 0.00 ? 35 ILE A O 9 ATOM 12690 C CB . ILE A 1 35 ? 3.126 -4.299 -3.525 1.00 0.00 ? 35 ILE A CB 9 ATOM 12691 C CG1 . ILE A 1 35 ? 3.369 -5.344 -2.435 1.00 0.00 ? 35 ILE A CG1 9 ATOM 12692 C CG2 . ILE A 1 35 ? 4.442 -3.684 -3.980 1.00 0.00 ? 35 ILE A CG2 9 ATOM 12693 C CD1 . ILE A 1 35 ? 3.936 -6.644 -2.960 1.00 0.00 ? 35 ILE A CD1 9 ATOM 12694 H H . ILE A 1 35 ? 0.743 -4.729 -2.682 1.00 0.00 ? 35 ILE A H 9 ATOM 12695 H HA . ILE A 1 35 ? 2.618 -2.742 -2.145 1.00 0.00 ? 35 ILE A HA 9 ATOM 12696 H HB . ILE A 1 35 ? 2.667 -4.777 -4.377 1.00 0.00 ? 35 ILE A HB 9 ATOM 12697 H HG12 . ILE A 1 35 ? 4.065 -4.947 -1.713 1.00 0.00 ? 35 ILE A HG12 9 ATOM 12698 H HG13 . ILE A 1 35 ? 2.433 -5.564 -1.943 1.00 0.00 ? 35 ILE A HG13 9 ATOM 12699 H HG21 . ILE A 1 35 ? 4.601 -3.908 -5.025 1.00 0.00 ? 35 ILE A HG21 9 ATOM 12700 H HG22 . ILE A 1 35 ? 4.405 -2.614 -3.844 1.00 0.00 ? 35 ILE A HG22 9 ATOM 12701 H HG23 . ILE A 1 35 ? 5.252 -4.094 -3.396 1.00 0.00 ? 35 ILE A HG23 9 ATOM 12702 H HD11 . ILE A 1 35 ? 3.863 -6.660 -4.038 1.00 0.00 ? 35 ILE A HD11 9 ATOM 12703 H HD12 . ILE A 1 35 ? 4.972 -6.731 -2.667 1.00 0.00 ? 35 ILE A HD12 9 ATOM 12704 H HD13 . ILE A 1 35 ? 3.376 -7.473 -2.550 1.00 0.00 ? 35 ILE A HD13 9 ATOM 12705 N N . SER A 1 36 ? 1.545 -2.579 -5.271 1.00 0.00 ? 36 SER A N 9 ATOM 12706 C CA . SER A 1 36 ? 1.338 -1.671 -6.393 1.00 0.00 ? 36 SER A CA 9 ATOM 12707 C C . SER A 1 36 ? 0.535 -0.448 -5.961 1.00 0.00 ? 36 SER A C 9 ATOM 12708 O O . SER A 1 36 ? 0.738 0.654 -6.473 1.00 0.00 ? 36 SER A O 9 ATOM 12709 C CB . SER A 1 36 ? 0.617 -2.391 -7.534 1.00 0.00 ? 36 SER A CB 9 ATOM 12710 O OG . SER A 1 36 ? -0.452 -3.182 -7.043 1.00 0.00 ? 36 SER A OG 9 ATOM 12711 H H . SER A 1 36 ? 1.347 -3.532 -5.385 1.00 0.00 ? 36 SER A H 9 ATOM 12712 H HA . SER A 1 36 ? 2.308 -1.346 -6.740 1.00 0.00 ? 36 SER A HA 9 ATOM 12713 H HB2 . SER A 1 36 ? 0.221 -1.662 -8.224 1.00 0.00 ? 36 SER A HB2 9 ATOM 12714 H HB3 . SER A 1 36 ? 1.316 -3.033 -8.050 1.00 0.00 ? 36 SER A HB3 9 ATOM 12715 H HG . SER A 1 36 ? -1.102 -2.615 -6.621 1.00 0.00 ? 36 SER A HG 9 ATOM 12716 N N . CYS A 1 37 ? -0.376 -0.650 -5.016 1.00 0.00 ? 37 CYS A N 9 ATOM 12717 C CA . CYS A 1 37 ? -1.211 0.435 -4.513 1.00 0.00 ? 37 CYS A CA 9 ATOM 12718 C C . CYS A 1 37 ? -0.369 1.476 -3.783 1.00 0.00 ? 37 CYS A C 9 ATOM 12719 O O . CYS A 1 37 ? -0.650 2.674 -3.847 1.00 0.00 ? 37 CYS A O 9 ATOM 12720 C CB . CYS A 1 37 ? -2.289 -0.114 -3.578 1.00 0.00 ? 37 CYS A CB 9 ATOM 12721 S SG . CYS A 1 37 ? -3.663 -0.924 -4.430 1.00 0.00 ? 37 CYS A SG 9 ATOM 12722 H H . CYS A 1 37 ? -0.491 -1.551 -4.646 1.00 0.00 ? 37 CYS A H 9 ATOM 12723 H HA . CYS A 1 37 ? -1.687 0.905 -5.361 1.00 0.00 ? 37 CYS A HA 9 ATOM 12724 H HB2 . CYS A 1 37 ? -1.843 -0.838 -2.912 1.00 0.00 ? 37 CYS A HB2 9 ATOM 12725 H HB3 . CYS A 1 37 ? -2.696 0.699 -2.994 1.00 0.00 ? 37 CYS A HB3 9 ATOM 12726 H HG . CYS A 1 37 ? -3.156 -1.704 -5.372 1.00 0.00 ? 37 CYS A HG 9 ATOM 12727 N N . HIS A 1 38 ? 0.665 1.012 -3.089 1.00 0.00 ? 38 HIS A N 9 ATOM 12728 C CA . HIS A 1 38 ? 1.549 1.903 -2.345 1.00 0.00 ? 38 HIS A CA 9 ATOM 12729 C C . HIS A 1 38 ? 2.494 2.642 -3.287 1.00 0.00 ? 38 HIS A C 9 ATOM 12730 O O . HIS A 1 38 ? 2.945 3.747 -2.988 1.00 0.00 ? 38 HIS A O 9 ATOM 12731 C CB . HIS A 1 38 ? 2.353 1.113 -1.313 1.00 0.00 ? 38 HIS A CB 9 ATOM 12732 C CG . HIS A 1 38 ? 1.593 0.821 -0.056 1.00 0.00 ? 38 HIS A CG 9 ATOM 12733 N ND1 . HIS A 1 38 ? 1.138 1.807 0.794 1.00 0.00 ? 38 HIS A ND1 9 ATOM 12734 C CD2 . HIS A 1 38 ? 1.206 -0.355 0.492 1.00 0.00 ? 38 HIS A CD2 9 ATOM 12735 C CE1 . HIS A 1 38 ? 0.506 1.250 1.812 1.00 0.00 ? 38 HIS A CE1 9 ATOM 12736 N NE2 . HIS A 1 38 ? 0.533 -0.061 1.652 1.00 0.00 ? 38 HIS A NE2 9 ATOM 12737 H H . HIS A 1 38 ? 0.838 0.048 -3.077 1.00 0.00 ? 38 HIS A H 9 ATOM 12738 H HA . HIS A 1 38 ? 0.934 2.627 -1.832 1.00 0.00 ? 38 HIS A HA 9 ATOM 12739 H HB2 . HIS A 1 38 ? 2.653 0.169 -1.745 1.00 0.00 ? 38 HIS A HB2 9 ATOM 12740 H HB3 . HIS A 1 38 ? 3.235 1.677 -1.045 1.00 0.00 ? 38 HIS A HB3 9 ATOM 12741 H HD1 . HIS A 1 38 ? 1.261 2.770 0.671 1.00 0.00 ? 38 HIS A HD1 9 ATOM 12742 H HD2 . HIS A 1 38 ? 1.393 -1.342 0.092 1.00 0.00 ? 38 HIS A HD2 9 ATOM 12743 H HE1 . HIS A 1 38 ? 0.045 1.776 2.634 1.00 0.00 ? 38 HIS A HE1 9 ATOM 12744 H HE2 . HIS A 1 38 ? 0.211 -0.716 2.306 1.00 0.00 ? 38 HIS A HE2 9 ATOM 12745 N N . ARG A 1 39 ? 2.790 2.023 -4.426 1.00 0.00 ? 39 ARG A N 9 ATOM 12746 C CA . ARG A 1 39 ? 3.683 2.621 -5.411 1.00 0.00 ? 39 ARG A CA 9 ATOM 12747 C C . ARG A 1 39 ? 2.983 3.746 -6.167 1.00 0.00 ? 39 ARG A C 9 ATOM 12748 O O . ARG A 1 39 ? 3.595 4.764 -6.494 1.00 0.00 ? 39 ARG A O 9 ATOM 12749 C CB . ARG A 1 39 ? 4.176 1.559 -6.395 1.00 0.00 ? 39 ARG A CB 9 ATOM 12750 C CG . ARG A 1 39 ? 5.279 0.675 -5.836 1.00 0.00 ? 39 ARG A CG 9 ATOM 12751 C CD . ARG A 1 39 ? 6.123 0.068 -6.946 1.00 0.00 ? 39 ARG A CD 9 ATOM 12752 N NE . ARG A 1 39 ? 6.922 1.075 -7.639 1.00 0.00 ? 39 ARG A NE 9 ATOM 12753 C CZ . ARG A 1 39 ? 7.559 0.849 -8.783 1.00 0.00 ? 39 ARG A CZ 9 ATOM 12754 N NH1 . ARG A 1 39 ? 7.489 -0.343 -9.360 1.00 0.00 ? 39 ARG A NH1 9 ATOM 12755 N NH2 . ARG A 1 39 ? 8.267 1.816 -9.352 1.00 0.00 ? 39 ARG A NH2 9 ATOM 12756 H H . ARG A 1 39 ? 2.399 1.143 -4.608 1.00 0.00 ? 39 ARG A H 9 ATOM 12757 H HA . ARG A 1 39 ? 4.532 3.031 -4.883 1.00 0.00 ? 39 ARG A HA 9 ATOM 12758 H HB2 . ARG A 1 39 ? 3.344 0.928 -6.672 1.00 0.00 ? 39 ARG A HB2 9 ATOM 12759 H HB3 . ARG A 1 39 ? 4.552 2.052 -7.279 1.00 0.00 ? 39 ARG A HB3 9 ATOM 12760 H HG2 . ARG A 1 39 ? 5.917 1.270 -5.199 1.00 0.00 ? 39 ARG A HG2 9 ATOM 12761 H HG3 . ARG A 1 39 ? 4.832 -0.121 -5.259 1.00 0.00 ? 39 ARG A HG3 9 ATOM 12762 H HD2 . ARG A 1 39 ? 6.784 -0.669 -6.516 1.00 0.00 ? 39 ARG A HD2 9 ATOM 12763 H HD3 . ARG A 1 39 ? 5.467 -0.410 -7.658 1.00 0.00 ? 39 ARG A HD3 9 ATOM 12764 H HE . ARG A 1 39 ? 6.988 1.963 -7.230 1.00 0.00 ? 39 ARG A HE 9 ATOM 12765 H HH11 . ARG A 1 39 ? 6.955 -1.073 -8.934 1.00 0.00 ? 39 ARG A HH11 9 ATOM 12766 H HH12 . ARG A 1 39 ? 7.968 -0.510 -10.222 1.00 0.00 ? 39 ARG A HH12 9 ATOM 12767 H HH21 . ARG A 1 39 ? 8.322 2.716 -8.920 1.00 0.00 ? 39 ARG A HH21 9 ATOM 12768 H HH22 . ARG A 1 39 ? 8.745 1.645 -10.213 1.00 0.00 ? 39 ARG A HH22 9 ATOM 12769 N N . LYS A 1 40 ? 1.698 3.556 -6.443 1.00 0.00 ? 40 LYS A N 9 ATOM 12770 C CA . LYS A 1 40 ? 0.913 4.553 -7.161 1.00 0.00 ? 40 LYS A CA 9 ATOM 12771 C C . LYS A 1 40 ? 0.729 5.811 -6.317 1.00 0.00 ? 40 LYS A C 9 ATOM 12772 O O . LYS A 1 40 ? 0.816 6.928 -6.825 1.00 0.00 ? 40 LYS A O 9 ATOM 12773 C CB . LYS A 1 40 ? -0.453 3.979 -7.543 1.00 0.00 ? 40 LYS A CB 9 ATOM 12774 C CG . LYS A 1 40 ? -0.397 2.988 -8.692 1.00 0.00 ? 40 LYS A CG 9 ATOM 12775 C CD . LYS A 1 40 ? -1.571 2.024 -8.657 1.00 0.00 ? 40 LYS A CD 9 ATOM 12776 C CE . LYS A 1 40 ? -1.459 0.969 -9.746 1.00 0.00 ? 40 LYS A CE 9 ATOM 12777 N NZ . LYS A 1 40 ? -2.748 0.256 -9.962 1.00 0.00 ? 40 LYS A NZ 9 ATOM 12778 H H . LYS A 1 40 ? 1.265 2.724 -6.156 1.00 0.00 ? 40 LYS A H 9 ATOM 12779 H HA . LYS A 1 40 ? 1.449 4.813 -8.061 1.00 0.00 ? 40 LYS A HA 9 ATOM 12780 H HB2 . LYS A 1 40 ? -0.873 3.478 -6.683 1.00 0.00 ? 40 LYS A HB2 9 ATOM 12781 H HB3 . LYS A 1 40 ? -1.105 4.792 -7.828 1.00 0.00 ? 40 LYS A HB3 9 ATOM 12782 H HG2 . LYS A 1 40 ? -0.419 3.531 -9.626 1.00 0.00 ? 40 LYS A HG2 9 ATOM 12783 H HG3 . LYS A 1 40 ? 0.523 2.424 -8.624 1.00 0.00 ? 40 LYS A HG3 9 ATOM 12784 H HD2 . LYS A 1 40 ? -1.592 1.532 -7.696 1.00 0.00 ? 40 LYS A HD2 9 ATOM 12785 H HD3 . LYS A 1 40 ? -2.486 2.581 -8.799 1.00 0.00 ? 40 LYS A HD3 9 ATOM 12786 H HE2 . LYS A 1 40 ? -1.166 1.450 -10.666 1.00 0.00 ? 40 LYS A HE2 9 ATOM 12787 H HE3 . LYS A 1 40 ? -0.704 0.252 -9.458 1.00 0.00 ? 40 LYS A HE3 9 ATOM 12788 H HZ1 . LYS A 1 40 ? -3.441 0.544 -9.241 1.00 0.00 ? 40 LYS A HZ1 9 ATOM 12789 H HZ2 . LYS A 1 40 ? -2.604 -0.772 -9.895 1.00 0.00 ? 40 LYS A HZ2 9 ATOM 12790 H HZ3 . LYS A 1 40 ? -3.129 0.481 -10.903 1.00 0.00 ? 40 LYS A HZ3 9 ATOM 12791 N N . ALA A 1 41 ? 0.476 5.620 -5.026 1.00 0.00 ? 41 ALA A N 9 ATOM 12792 C CA . ALA A 1 41 ? 0.285 6.739 -4.112 1.00 0.00 ? 41 ALA A CA 9 ATOM 12793 C C . ALA A 1 41 ? 1.567 7.551 -3.962 1.00 0.00 ? 41 ALA A C 9 ATOM 12794 O O . ALA A 1 41 ? 1.568 8.770 -4.141 1.00 0.00 ? 41 ALA A O 9 ATOM 12795 C CB . ALA A 1 41 ? -0.187 6.238 -2.755 1.00 0.00 ? 41 ALA A CB 9 ATOM 12796 H H . ALA A 1 41 ? 0.419 4.706 -4.680 1.00 0.00 ? 41 ALA A H 9 ATOM 12797 H HA . ALA A 1 41 ? -0.487 7.376 -4.521 1.00 0.00 ? 41 ALA A HA 9 ATOM 12798 H HB1 . ALA A 1 41 ? -1.252 6.054 -2.791 1.00 0.00 ? 41 ALA A HB1 9 ATOM 12799 H HB2 . ALA A 1 41 ? 0.329 5.321 -2.512 1.00 0.00 ? 41 ALA A HB2 9 ATOM 12800 H HB3 . ALA A 1 41 ? 0.025 6.982 -2.003 1.00 0.00 ? 41 ALA A HB3 9 ATOM 12801 N N . THR A 1 42 ? 2.658 6.869 -3.629 1.00 0.00 ? 42 THR A N 9 ATOM 12802 C CA . THR A 1 42 ? 3.947 7.527 -3.453 1.00 0.00 ? 42 THR A CA 9 ATOM 12803 C C . THR A 1 42 ? 4.248 8.467 -4.614 1.00 0.00 ? 42 THR A C 9 ATOM 12804 O O . THR A 1 42 ? 4.545 9.645 -4.412 1.00 0.00 ? 42 THR A O 9 ATOM 12805 C CB . THR A 1 42 ? 5.089 6.501 -3.328 1.00 0.00 ? 42 THR A CB 9 ATOM 12806 O OG1 . THR A 1 42 ? 4.978 5.516 -4.362 1.00 0.00 ? 42 THR A OG1 9 ATOM 12807 C CG2 . THR A 1 42 ? 5.060 5.821 -1.968 1.00 0.00 ? 42 THR A CG2 9 ATOM 12808 H H . THR A 1 42 ? 2.594 5.900 -3.500 1.00 0.00 ? 42 THR A H 9 ATOM 12809 H HA . THR A 1 42 ? 3.905 8.101 -2.538 1.00 0.00 ? 42 THR A HA 9 ATOM 12810 H HB . THR A 1 42 ? 6.031 7.019 -3.435 1.00 0.00 ? 42 THR A HB 9 ATOM 12811 H HG1 . THR A 1 42 ? 5.849 5.169 -4.569 1.00 0.00 ? 42 THR A HG1 9 ATOM 12812 H HG21 . THR A 1 42 ? 4.036 5.632 -1.681 1.00 0.00 ? 42 THR A HG21 9 ATOM 12813 H HG22 . THR A 1 42 ? 5.526 6.463 -1.235 1.00 0.00 ? 42 THR A HG22 9 ATOM 12814 H HG23 . THR A 1 42 ? 5.597 4.886 -2.022 1.00 0.00 ? 42 THR A HG23 9 ATOM 12815 N N . THR A 1 43 ? 4.169 7.941 -5.832 1.00 0.00 ? 43 THR A N 9 ATOM 12816 C CA . THR A 1 43 ? 4.433 8.733 -7.026 1.00 0.00 ? 43 THR A CA 9 ATOM 12817 C C . THR A 1 43 ? 3.612 10.017 -7.027 1.00 0.00 ? 43 THR A C 9 ATOM 12818 O O . THR A 1 43 ? 4.099 11.077 -7.422 1.00 0.00 ? 43 THR A O 9 ATOM 12819 C CB . THR A 1 43 ? 4.123 7.938 -8.308 1.00 0.00 ? 43 THR A CB 9 ATOM 12820 O OG1 . THR A 1 43 ? 4.873 6.719 -8.322 1.00 0.00 ? 43 THR A OG1 9 ATOM 12821 C CG2 . THR A 1 43 ? 4.454 8.757 -9.546 1.00 0.00 ? 43 THR A CG2 9 ATOM 12822 H H . THR A 1 43 ? 3.927 6.996 -5.928 1.00 0.00 ? 43 THR A H 9 ATOM 12823 H HA . THR A 1 43 ? 5.483 8.988 -7.031 1.00 0.00 ? 43 THR A HA 9 ATOM 12824 H HB . THR A 1 43 ? 3.068 7.703 -8.321 1.00 0.00 ? 43 THR A HB 9 ATOM 12825 H HG1 . THR A 1 43 ? 4.942 6.374 -7.428 1.00 0.00 ? 43 THR A HG1 9 ATOM 12826 H HG21 . THR A 1 43 ? 4.270 9.803 -9.346 1.00 0.00 ? 43 THR A HG21 9 ATOM 12827 H HG22 . THR A 1 43 ? 3.833 8.434 -10.369 1.00 0.00 ? 43 THR A HG22 9 ATOM 12828 H HG23 . THR A 1 43 ? 5.493 8.617 -9.803 1.00 0.00 ? 43 THR A HG23 9 ATOM 12829 N N . TYR A 1 44 ? 2.365 9.916 -6.581 1.00 0.00 ? 44 TYR A N 9 ATOM 12830 C CA . TYR A 1 44 ? 1.475 11.070 -6.532 1.00 0.00 ? 44 TYR A CA 9 ATOM 12831 C C . TYR A 1 44 ? 1.973 12.099 -5.521 1.00 0.00 ? 44 TYR A C 9 ATOM 12832 O O . TYR A 1 44 ? 2.113 13.281 -5.838 1.00 0.00 ? 44 TYR A O 9 ATOM 12833 C CB . TYR A 1 44 ? 0.055 10.631 -6.171 1.00 0.00 ? 44 TYR A CB 9 ATOM 12834 C CG . TYR A 1 44 ? -0.931 11.775 -6.089 1.00 0.00 ? 44 TYR A CG 9 ATOM 12835 C CD1 . TYR A 1 44 ? -0.806 12.885 -6.915 1.00 0.00 ? 44 TYR A CD1 9 ATOM 12836 C CD2 . TYR A 1 44 ? -1.985 11.746 -5.185 1.00 0.00 ? 44 TYR A CD2 9 ATOM 12837 C CE1 . TYR A 1 44 ? -1.704 13.933 -6.843 1.00 0.00 ? 44 TYR A CE1 9 ATOM 12838 C CE2 . TYR A 1 44 ? -2.888 12.789 -5.107 1.00 0.00 ? 44 TYR A CE2 9 ATOM 12839 C CZ . TYR A 1 44 ? -2.743 13.880 -5.937 1.00 0.00 ? 44 TYR A CZ 9 ATOM 12840 O OH . TYR A 1 44 ? -3.639 14.921 -5.862 1.00 0.00 ? 44 TYR A OH 9 ATOM 12841 H H . TYR A 1 44 ? 2.034 9.045 -6.279 1.00 0.00 ? 44 TYR A H 9 ATOM 12842 H HA . TYR A 1 44 ? 1.463 11.522 -7.513 1.00 0.00 ? 44 TYR A HA 9 ATOM 12843 H HB2 . TYR A 1 44 ? -0.302 9.940 -6.920 1.00 0.00 ? 44 TYR A HB2 9 ATOM 12844 H HB3 . TYR A 1 44 ? 0.071 10.137 -5.211 1.00 0.00 ? 44 TYR A HB3 9 ATOM 12845 H HD1 . TYR A 1 44 ? 0.009 12.924 -7.623 1.00 0.00 ? 44 TYR A HD1 9 ATOM 12846 H HD2 . TYR A 1 44 ? -2.095 10.890 -4.535 1.00 0.00 ? 44 TYR A HD2 9 ATOM 12847 H HE1 . TYR A 1 44 ? -1.591 14.788 -7.493 1.00 0.00 ? 44 TYR A HE1 9 ATOM 12848 H HE2 . TYR A 1 44 ? -3.701 12.747 -4.397 1.00 0.00 ? 44 TYR A HE2 9 ATOM 12849 H HH . TYR A 1 44 ? -4.409 14.720 -6.400 1.00 0.00 ? 44 TYR A HH 9 ATOM 12850 N N . LEU A 1 45 ? 2.239 11.642 -4.303 1.00 0.00 ? 45 LEU A N 9 ATOM 12851 C CA . LEU A 1 45 ? 2.722 12.521 -3.244 1.00 0.00 ? 45 LEU A CA 9 ATOM 12852 C C . LEU A 1 45 ? 4.014 13.215 -3.660 1.00 0.00 ? 45 LEU A C 9 ATOM 12853 O O . LEU A 1 45 ? 4.181 14.417 -3.450 1.00 0.00 ? 45 LEU A O 9 ATOM 12854 C CB . LEU A 1 45 ? 2.949 11.725 -1.957 1.00 0.00 ? 45 LEU A CB 9 ATOM 12855 C CG . LEU A 1 45 ? 1.697 11.148 -1.295 1.00 0.00 ? 45 LEU A CG 9 ATOM 12856 C CD1 . LEU A 1 45 ? 2.069 10.031 -0.333 1.00 0.00 ? 45 LEU A CD1 9 ATOM 12857 C CD2 . LEU A 1 45 ? 0.924 12.241 -0.573 1.00 0.00 ? 45 LEU A CD2 9 ATOM 12858 H H . LEU A 1 45 ? 2.107 10.690 -4.110 1.00 0.00 ? 45 LEU A H 9 ATOM 12859 H HA . LEU A 1 45 ? 1.966 13.271 -3.065 1.00 0.00 ? 45 LEU A HA 9 ATOM 12860 H HB2 . LEU A 1 45 ? 3.609 10.903 -2.189 1.00 0.00 ? 45 LEU A HB2 9 ATOM 12861 H HB3 . LEU A 1 45 ? 3.429 12.380 -1.245 1.00 0.00 ? 45 LEU A HB3 9 ATOM 12862 H HG . LEU A 1 45 ? 1.054 10.730 -2.058 1.00 0.00 ? 45 LEU A HG 9 ATOM 12863 H HD11 . LEU A 1 45 ? 3.114 9.786 -0.451 1.00 0.00 ? 45 LEU A HD11 9 ATOM 12864 H HD12 . LEU A 1 45 ? 1.469 9.159 -0.544 1.00 0.00 ? 45 LEU A HD12 9 ATOM 12865 H HD13 . LEU A 1 45 ? 1.887 10.355 0.682 1.00 0.00 ? 45 LEU A HD13 9 ATOM 12866 H HD21 . LEU A 1 45 ? 1.388 12.440 0.382 1.00 0.00 ? 45 LEU A HD21 9 ATOM 12867 H HD22 . LEU A 1 45 ? -0.096 11.918 -0.417 1.00 0.00 ? 45 LEU A HD22 9 ATOM 12868 H HD23 . LEU A 1 45 ? 0.929 13.141 -1.170 1.00 0.00 ? 45 LEU A HD23 9 ATOM 12869 N N . SER A 1 46 ? 4.926 12.452 -4.254 1.00 0.00 ? 46 SER A N 9 ATOM 12870 C CA . SER A 1 46 ? 6.204 12.993 -4.699 1.00 0.00 ? 46 SER A CA 9 ATOM 12871 C C . SER A 1 46 ? 5.999 14.068 -5.763 1.00 0.00 ? 46 SER A C 9 ATOM 12872 O O . SER A 1 46 ? 6.806 14.987 -5.895 1.00 0.00 ? 46 SER A O 9 ATOM 12873 C CB . SER A 1 46 ? 7.091 11.876 -5.251 1.00 0.00 ? 46 SER A CB 9 ATOM 12874 O OG . SER A 1 46 ? 8.339 12.385 -5.690 1.00 0.00 ? 46 SER A OG 9 ATOM 12875 H H . SER A 1 46 ? 4.735 11.501 -4.393 1.00 0.00 ? 46 SER A H 9 ATOM 12876 H HA . SER A 1 46 ? 6.691 13.439 -3.844 1.00 0.00 ? 46 SER A HA 9 ATOM 12877 H HB2 . SER A 1 46 ? 7.267 11.144 -4.478 1.00 0.00 ? 46 SER A HB2 9 ATOM 12878 H HB3 . SER A 1 46 ? 6.594 11.405 -6.087 1.00 0.00 ? 46 SER A HB3 9 ATOM 12879 H HG . SER A 1 46 ? 8.921 12.502 -4.936 1.00 0.00 ? 46 SER A HG 9 ATOM 12880 N N . GLU A 1 47 ? 4.912 13.943 -6.519 1.00 0.00 ? 47 GLU A N 9 ATOM 12881 C CA . GLU A 1 47 ? 4.601 14.902 -7.572 1.00 0.00 ? 47 GLU A CA 9 ATOM 12882 C C . GLU A 1 47 ? 4.063 16.202 -6.981 1.00 0.00 ? 47 GLU A C 9 ATOM 12883 O O . GLU A 1 47 ? 4.150 17.261 -7.602 1.00 0.00 ? 47 GLU A O 9 ATOM 12884 C CB . GLU A 1 47 ? 3.579 14.311 -8.545 1.00 0.00 ? 47 GLU A CB 9 ATOM 12885 C CG . GLU A 1 47 ? 4.206 13.502 -9.669 1.00 0.00 ? 47 GLU A CG 9 ATOM 12886 C CD . GLU A 1 47 ? 4.697 14.372 -10.809 1.00 0.00 ? 47 GLU A CD 9 ATOM 12887 O OE1 . GLU A 1 47 ? 4.033 15.387 -11.110 1.00 0.00 ? 47 GLU A OE1 9 ATOM 12888 O OE2 . GLU A 1 47 ? 5.745 14.039 -11.402 1.00 0.00 ? 47 GLU A OE2 9 ATOM 12889 H H . GLU A 1 47 ? 4.307 13.188 -6.365 1.00 0.00 ? 47 GLU A H 9 ATOM 12890 H HA . GLU A 1 47 ? 5.513 15.115 -8.107 1.00 0.00 ? 47 GLU A HA 9 ATOM 12891 H HB2 . GLU A 1 47 ? 2.908 13.666 -7.997 1.00 0.00 ? 47 GLU A HB2 9 ATOM 12892 H HB3 . GLU A 1 47 ? 3.010 15.117 -8.984 1.00 0.00 ? 47 GLU A HB3 9 ATOM 12893 H HG2 . GLU A 1 47 ? 5.044 12.949 -9.272 1.00 0.00 ? 47 GLU A HG2 9 ATOM 12894 H HG3 . GLU A 1 47 ? 3.470 12.812 -10.053 1.00 0.00 ? 47 GLU A HG3 9 ATOM 12895 N N . ALA A 1 48 ? 3.506 16.113 -5.777 1.00 0.00 ? 48 ALA A N 9 ATOM 12896 C CA . ALA A 1 48 ? 2.956 17.281 -5.102 1.00 0.00 ? 48 ALA A CA 9 ATOM 12897 C C . ALA A 1 48 ? 4.064 18.226 -4.648 1.00 0.00 ? 48 ALA A C 9 ATOM 12898 O O . ALA A 1 48 ? 4.185 19.342 -5.152 1.00 0.00 ? 48 ALA A O 9 ATOM 12899 C CB . ALA A 1 48 ? 2.106 16.853 -3.915 1.00 0.00 ? 48 ALA A CB 9 ATOM 12900 H H . ALA A 1 48 ? 3.466 15.241 -5.333 1.00 0.00 ? 48 ALA A H 9 ATOM 12901 H HA . ALA A 1 48 ? 2.317 17.801 -5.801 1.00 0.00 ? 48 ALA A HA 9 ATOM 12902 H HB1 . ALA A 1 48 ? 1.458 16.040 -4.211 1.00 0.00 ? 48 ALA A HB1 9 ATOM 12903 H HB2 . ALA A 1 48 ? 2.749 16.527 -3.111 1.00 0.00 ? 48 ALA A HB2 9 ATOM 12904 H HB3 . ALA A 1 48 ? 1.507 17.687 -3.581 1.00 0.00 ? 48 ALA A HB3 9 ATOM 12905 N N . MET A 1 49 ? 4.868 17.771 -3.693 1.00 0.00 ? 49 MET A N 9 ATOM 12906 C CA . MET A 1 49 ? 5.967 18.577 -3.172 1.00 0.00 ? 49 MET A CA 9 ATOM 12907 C C . MET A 1 49 ? 6.799 19.162 -4.309 1.00 0.00 ? 49 MET A C 9 ATOM 12908 O O . MET A 1 49 ? 7.467 20.182 -4.143 1.00 0.00 ? 49 MET A O 9 ATOM 12909 C CB . MET A 1 49 ? 6.855 17.734 -2.255 1.00 0.00 ? 49 MET A CB 9 ATOM 12910 C CG . MET A 1 49 ? 7.291 16.416 -2.875 1.00 0.00 ? 49 MET A CG 9 ATOM 12911 S SD . MET A 1 49 ? 7.907 15.244 -1.651 1.00 0.00 ? 49 MET A SD 9 ATOM 12912 C CE . MET A 1 49 ? 6.561 15.249 -0.470 1.00 0.00 ? 49 MET A CE 9 ATOM 12913 H H . MET A 1 49 ? 4.721 16.873 -3.331 1.00 0.00 ? 49 MET A H 9 ATOM 12914 H HA . MET A 1 49 ? 5.541 19.387 -2.600 1.00 0.00 ? 49 MET A HA 9 ATOM 12915 H HB2 . MET A 1 49 ? 7.740 18.302 -2.010 1.00 0.00 ? 49 MET A HB2 9 ATOM 12916 H HB3 . MET A 1 49 ? 6.313 17.518 -1.347 1.00 0.00 ? 49 MET A HB3 9 ATOM 12917 H HG2 . MET A 1 49 ? 6.446 15.975 -3.381 1.00 0.00 ? 49 MET A HG2 9 ATOM 12918 H HG3 . MET A 1 49 ? 8.074 16.614 -3.592 1.00 0.00 ? 49 MET A HG3 9 ATOM 12919 H HE1 . MET A 1 49 ? 6.369 14.239 -0.140 1.00 0.00 ? 49 MET A HE1 9 ATOM 12920 H HE2 . MET A 1 49 ? 6.829 15.860 0.379 1.00 0.00 ? 49 MET A HE2 9 ATOM 12921 H HE3 . MET A 1 49 ? 5.674 15.650 -0.937 1.00 0.00 ? 49 MET A HE3 9 ATOM 12922 N N . LYS A 1 50 ? 6.755 18.508 -5.465 1.00 0.00 ? 50 LYS A N 9 ATOM 12923 C CA . LYS A 1 50 ? 7.503 18.963 -6.631 1.00 0.00 ? 50 LYS A CA 9 ATOM 12924 C C . LYS A 1 50 ? 6.898 20.241 -7.202 1.00 0.00 ? 50 LYS A C 9 ATOM 12925 O O . LYS A 1 50 ? 7.615 21.115 -7.692 1.00 0.00 ? 50 LYS A O 9 ATOM 12926 C CB . LYS A 1 50 ? 7.527 17.873 -7.705 1.00 0.00 ? 50 LYS A CB 9 ATOM 12927 C CG . LYS A 1 50 ? 8.640 16.857 -7.517 1.00 0.00 ? 50 LYS A CG 9 ATOM 12928 C CD . LYS A 1 50 ? 8.626 15.805 -8.613 1.00 0.00 ? 50 LYS A CD 9 ATOM 12929 C CE . LYS A 1 50 ? 9.261 16.326 -9.893 1.00 0.00 ? 50 LYS A CE 9 ATOM 12930 N NZ . LYS A 1 50 ? 10.723 16.562 -9.732 1.00 0.00 ? 50 LYS A NZ 9 ATOM 12931 H H . LYS A 1 50 ? 6.204 17.700 -5.537 1.00 0.00 ? 50 LYS A H 9 ATOM 12932 H HA . LYS A 1 50 ? 8.515 19.168 -6.316 1.00 0.00 ? 50 LYS A HA 9 ATOM 12933 H HB2 . LYS A 1 50 ? 6.583 17.349 -7.689 1.00 0.00 ? 50 LYS A HB2 9 ATOM 12934 H HB3 . LYS A 1 50 ? 7.653 18.340 -8.672 1.00 0.00 ? 50 LYS A HB3 9 ATOM 12935 H HG2 . LYS A 1 50 ? 9.590 17.370 -7.537 1.00 0.00 ? 50 LYS A HG2 9 ATOM 12936 H HG3 . LYS A 1 50 ? 8.512 16.370 -6.561 1.00 0.00 ? 50 LYS A HG3 9 ATOM 12937 H HD2 . LYS A 1 50 ? 9.179 14.940 -8.277 1.00 0.00 ? 50 LYS A HD2 9 ATOM 12938 H HD3 . LYS A 1 50 ? 7.603 15.524 -8.818 1.00 0.00 ? 50 LYS A HD3 9 ATOM 12939 H HE2 . LYS A 1 50 ? 9.107 15.601 -10.677 1.00 0.00 ? 50 LYS A HE2 9 ATOM 12940 H HE3 . LYS A 1 50 ? 8.783 17.256 -10.164 1.00 0.00 ? 50 LYS A HE3 9 ATOM 12941 H HZ1 . LYS A 1 50 ? 11.120 15.886 -9.048 1.00 0.00 ? 50 LYS A HZ1 9 ATOM 12942 H HZ2 . LYS A 1 50 ? 10.893 17.527 -9.386 1.00 0.00 ? 50 LYS A HZ2 9 ATOM 12943 H HZ3 . LYS A 1 50 ? 11.207 16.441 -10.644 1.00 0.00 ? 50 LYS A HZ3 9 ATOM 12944 N N . LEU A 1 51 ? 5.575 20.345 -7.134 1.00 0.00 ? 51 LEU A N 9 ATOM 12945 C CA . LEU A 1 51 ? 4.873 21.518 -7.643 1.00 0.00 ? 51 LEU A CA 9 ATOM 12946 C C . LEU A 1 51 ? 4.807 22.615 -6.585 1.00 0.00 ? 51 LEU A C 9 ATOM 12947 O O . LEU A 1 51 ? 5.326 23.715 -6.781 1.00 0.00 ? 51 LEU A O 9 ATOM 12948 C CB . LEU A 1 51 ? 3.460 21.138 -8.089 1.00 0.00 ? 51 LEU A CB 9 ATOM 12949 C CG . LEU A 1 51 ? 3.319 20.653 -9.532 1.00 0.00 ? 51 LEU A CG 9 ATOM 12950 C CD1 . LEU A 1 51 ? 3.984 19.297 -9.707 1.00 0.00 ? 51 LEU A CD1 9 ATOM 12951 C CD2 . LEU A 1 51 ? 1.852 20.585 -9.931 1.00 0.00 ? 51 LEU A CD2 9 ATOM 12952 H H . LEU A 1 51 ? 5.058 19.617 -6.733 1.00 0.00 ? 51 LEU A H 9 ATOM 12953 H HA . LEU A 1 51 ? 5.423 21.889 -8.496 1.00 0.00 ? 51 LEU A HA 9 ATOM 12954 H HB2 . LEU A 1 51 ? 3.110 20.350 -7.440 1.00 0.00 ? 51 LEU A HB2 9 ATOM 12955 H HB3 . LEU A 1 51 ? 2.830 22.008 -7.968 1.00 0.00 ? 51 LEU A HB3 9 ATOM 12956 H HG . LEU A 1 51 ? 3.813 21.355 -10.191 1.00 0.00 ? 51 LEU A HG 9 ATOM 12957 H HD11 . LEU A 1 51 ? 3.325 18.523 -9.346 1.00 0.00 ? 51 LEU A HD11 9 ATOM 12958 H HD12 . LEU A 1 51 ? 4.908 19.274 -9.148 1.00 0.00 ? 51 LEU A HD12 9 ATOM 12959 H HD13 . LEU A 1 51 ? 4.194 19.132 -10.754 1.00 0.00 ? 51 LEU A HD13 9 ATOM 12960 H HD21 . LEU A 1 51 ? 1.663 21.289 -10.728 1.00 0.00 ? 51 LEU A HD21 9 ATOM 12961 H HD22 . LEU A 1 51 ? 1.235 20.833 -9.078 1.00 0.00 ? 51 LEU A HD22 9 ATOM 12962 H HD23 . LEU A 1 51 ? 1.617 19.587 -10.268 1.00 0.00 ? 51 LEU A HD23 9 ATOM 12963 N N . THR A 1 52 ? 4.167 22.308 -5.461 1.00 0.00 ? 52 THR A N 9 ATOM 12964 C CA . THR A 1 52 ? 4.034 23.267 -4.371 1.00 0.00 ? 52 THR A CA 9 ATOM 12965 C C . THR A 1 52 ? 5.392 23.822 -3.959 1.00 0.00 ? 52 THR A C 9 ATOM 12966 O O . THR A 1 52 ? 6.351 23.071 -3.780 1.00 0.00 ? 52 THR A O 9 ATOM 12967 C CB . THR A 1 52 ? 3.357 22.630 -3.143 1.00 0.00 ? 52 THR A CB 9 ATOM 12968 O OG1 . THR A 1 52 ? 2.715 23.641 -2.359 1.00 0.00 ? 52 THR A OG1 9 ATOM 12969 C CG2 . THR A 1 52 ? 4.374 21.889 -2.288 1.00 0.00 ? 52 THR A CG2 9 ATOM 12970 H H . THR A 1 52 ? 3.775 21.416 -5.364 1.00 0.00 ? 52 THR A H 9 ATOM 12971 H HA . THR A 1 52 ? 3.413 24.080 -4.717 1.00 0.00 ? 52 THR A HA 9 ATOM 12972 H HB . THR A 1 52 ? 2.614 21.924 -3.485 1.00 0.00 ? 52 THR A HB 9 ATOM 12973 H HG1 . THR A 1 52 ? 2.062 24.097 -2.896 1.00 0.00 ? 52 THR A HG1 9 ATOM 12974 H HG21 . THR A 1 52 ? 4.960 22.601 -1.726 1.00 0.00 ? 52 THR A HG21 9 ATOM 12975 H HG22 . THR A 1 52 ? 5.026 21.310 -2.926 1.00 0.00 ? 52 THR A HG22 9 ATOM 12976 H HG23 . THR A 1 52 ? 3.859 21.229 -1.607 1.00 0.00 ? 52 THR A HG23 9 ATOM 12977 N N . GLU A 1 53 ? 5.467 25.141 -3.809 1.00 0.00 ? 53 GLU A N 9 ATOM 12978 C CA . GLU A 1 53 ? 6.709 25.795 -3.416 1.00 0.00 ? 53 GLU A CA 9 ATOM 12979 C C . GLU A 1 53 ? 6.732 26.064 -1.915 1.00 0.00 ? 53 GLU A C 9 ATOM 12980 O O . GLU A 1 53 ? 7.798 26.147 -1.304 1.00 0.00 ? 53 GLU A O 9 ATOM 12981 C CB . GLU A 1 53 ? 6.885 27.108 -4.183 1.00 0.00 ? 53 GLU A CB 9 ATOM 12982 C CG . GLU A 1 53 ? 8.325 27.586 -4.250 1.00 0.00 ? 53 GLU A CG 9 ATOM 12983 C CD . GLU A 1 53 ? 8.433 29.083 -4.471 1.00 0.00 ? 53 GLU A CD 9 ATOM 12984 O OE1 . GLU A 1 53 ? 8.263 29.526 -5.626 1.00 0.00 ? 53 GLU A OE1 9 ATOM 12985 O OE2 . GLU A 1 53 ? 8.687 29.810 -3.488 1.00 0.00 ? 53 GLU A OE2 9 ATOM 12986 H H . GLU A 1 53 ? 4.668 25.686 -3.966 1.00 0.00 ? 53 GLU A H 9 ATOM 12987 H HA . GLU A 1 53 ? 7.525 25.133 -3.664 1.00 0.00 ? 53 GLU A HA 9 ATOM 12988 H HB2 . GLU A 1 53 ? 6.525 26.972 -5.193 1.00 0.00 ? 53 GLU A HB2 9 ATOM 12989 H HB3 . GLU A 1 53 ? 6.295 27.873 -3.701 1.00 0.00 ? 53 GLU A HB3 9 ATOM 12990 H HG2 . GLU A 1 53 ? 8.816 27.339 -3.321 1.00 0.00 ? 53 GLU A HG2 9 ATOM 12991 H HG3 . GLU A 1 53 ? 8.822 27.080 -5.064 1.00 0.00 ? 53 GLU A HG3 9 ATOM 12992 N N . SER A 1 54 ? 5.548 26.201 -1.326 1.00 0.00 ? 54 SER A N 9 ATOM 12993 C CA . SER A 1 54 ? 5.432 26.465 0.104 1.00 0.00 ? 54 SER A CA 9 ATOM 12994 C C . SER A 1 54 ? 6.105 25.363 0.917 1.00 0.00 ? 54 SER A C 9 ATOM 12995 O O . SER A 1 54 ? 6.246 24.233 0.452 1.00 0.00 ? 54 SER A O 9 ATOM 12996 C CB . SER A 1 54 ? 3.959 26.582 0.503 1.00 0.00 ? 54 SER A CB 9 ATOM 12997 O OG . SER A 1 54 ? 3.824 27.179 1.781 1.00 0.00 ? 54 SER A OG 9 ATOM 12998 H H . SER A 1 54 ? 4.734 26.124 -1.866 1.00 0.00 ? 54 SER A H 9 ATOM 12999 H HA . SER A 1 54 ? 5.927 27.402 0.309 1.00 0.00 ? 54 SER A HA 9 ATOM 13000 H HB2 . SER A 1 54 ? 3.439 27.189 -0.222 1.00 0.00 ? 54 SER A HB2 9 ATOM 13001 H HB3 . SER A 1 54 ? 3.517 25.596 0.531 1.00 0.00 ? 54 SER A HB3 9 ATOM 13002 H HG . SER A 1 54 ? 2.914 27.099 2.078 1.00 0.00 ? 54 SER A HG 9 ATOM 13003 N N . GLU A 1 55 ? 6.519 25.703 2.133 1.00 0.00 ? 55 GLU A N 9 ATOM 13004 C CA . GLU A 1 55 ? 7.178 24.743 3.011 1.00 0.00 ? 55 GLU A CA 9 ATOM 13005 C C . GLU A 1 55 ? 6.156 23.838 3.693 1.00 0.00 ? 55 GLU A C 9 ATOM 13006 O O . GLU A 1 55 ? 6.181 22.619 3.521 1.00 0.00 ? 55 GLU A O 9 ATOM 13007 C CB . GLU A 1 55 ? 8.013 25.473 4.065 1.00 0.00 ? 55 GLU A CB 9 ATOM 13008 C CG . GLU A 1 55 ? 9.104 24.612 4.680 1.00 0.00 ? 55 GLU A CG 9 ATOM 13009 C CD . GLU A 1 55 ? 10.038 25.405 5.574 1.00 0.00 ? 55 GLU A CD 9 ATOM 13010 O OE1 . GLU A 1 55 ? 10.877 26.158 5.038 1.00 0.00 ? 55 GLU A OE1 9 ATOM 13011 O OE2 . GLU A 1 55 ? 9.928 25.271 6.811 1.00 0.00 ? 55 GLU A OE2 9 ATOM 13012 H H . GLU A 1 55 ? 6.378 26.620 2.448 1.00 0.00 ? 55 GLU A H 9 ATOM 13013 H HA . GLU A 1 55 ? 7.832 24.135 2.405 1.00 0.00 ? 55 GLU A HA 9 ATOM 13014 H HB2 . GLU A 1 55 ? 8.477 26.334 3.608 1.00 0.00 ? 55 GLU A HB2 9 ATOM 13015 H HB3 . GLU A 1 55 ? 7.359 25.806 4.857 1.00 0.00 ? 55 GLU A HB3 9 ATOM 13016 H HG2 . GLU A 1 55 ? 8.643 23.833 5.268 1.00 0.00 ? 55 GLU A HG2 9 ATOM 13017 H HG3 . GLU A 1 55 ? 9.684 24.166 3.885 1.00 0.00 ? 55 GLU A HG3 9 ATOM 13018 N N . GLN A 1 56 ? 5.261 24.443 4.466 1.00 0.00 ? 56 GLN A N 9 ATOM 13019 C CA . GLN A 1 56 ? 4.231 23.692 5.174 1.00 0.00 ? 56 GLN A CA 9 ATOM 13020 C C . GLN A 1 56 ? 3.635 22.609 4.280 1.00 0.00 ? 56 GLN A C 9 ATOM 13021 O O . GLN A 1 56 ? 3.685 21.424 4.607 1.00 0.00 ? 56 GLN A O 9 ATOM 13022 C CB . GLN A 1 56 ? 3.128 24.632 5.662 1.00 0.00 ? 56 GLN A CB 9 ATOM 13023 C CG . GLN A 1 56 ? 3.423 25.268 7.011 1.00 0.00 ? 56 GLN A CG 9 ATOM 13024 C CD . GLN A 1 56 ? 2.961 24.411 8.173 1.00 0.00 ? 56 GLN A CD 9 ATOM 13025 O OE1 . GLN A 1 56 ? 1.794 24.452 8.565 1.00 0.00 ? 56 GLN A OE1 9 ATOM 13026 N NE2 . GLN A 1 56 ? 3.877 23.628 8.732 1.00 0.00 ? 56 GLN A NE2 9 ATOM 13027 H H . GLN A 1 56 ? 5.293 25.417 4.562 1.00 0.00 ? 56 GLN A H 9 ATOM 13028 H HA . GLN A 1 56 ? 4.694 23.221 6.028 1.00 0.00 ? 56 GLN A HA 9 ATOM 13029 H HB2 . GLN A 1 56 ? 2.998 25.421 4.937 1.00 0.00 ? 56 GLN A HB2 9 ATOM 13030 H HB3 . GLN A 1 56 ? 2.207 24.075 5.745 1.00 0.00 ? 56 GLN A HB3 9 ATOM 13031 H HG2 . GLN A 1 56 ? 4.488 25.421 7.098 1.00 0.00 ? 56 GLN A HG2 9 ATOM 13032 H HG3 . GLN A 1 56 ? 2.918 26.222 7.063 1.00 0.00 ? 56 GLN A HG3 9 ATOM 13033 H HE21 . GLN A 1 56 ? 4.787 23.649 8.368 1.00 0.00 ? 56 GLN A HE21 9 ATOM 13034 H HE22 . GLN A 1 56 ? 3.606 23.065 9.485 1.00 0.00 ? 56 GLN A HE22 9 ATOM 13035 N N . ALA A 1 57 ? 3.071 23.026 3.151 1.00 0.00 ? 57 ALA A N 9 ATOM 13036 C CA . ALA A 1 57 ? 2.467 22.092 2.209 1.00 0.00 ? 57 ALA A CA 9 ATOM 13037 C C . ALA A 1 57 ? 3.407 20.930 1.909 1.00 0.00 ? 57 ALA A C 9 ATOM 13038 O O . ALA A 1 57 ? 3.028 19.764 2.029 1.00 0.00 ? 57 ALA A O 9 ATOM 13039 C CB . ALA A 1 57 ? 2.085 22.811 0.924 1.00 0.00 ? 57 ALA A CB 9 ATOM 13040 H H . ALA A 1 57 ? 3.063 23.984 2.946 1.00 0.00 ? 57 ALA A H 9 ATOM 13041 H HA . ALA A 1 57 ? 1.563 21.704 2.657 1.00 0.00 ? 57 ALA A HA 9 ATOM 13042 H HB1 . ALA A 1 57 ? 1.207 23.416 1.098 1.00 0.00 ? 57 ALA A HB1 9 ATOM 13043 H HB2 . ALA A 1 57 ? 2.902 23.443 0.610 1.00 0.00 ? 57 ALA A HB2 9 ATOM 13044 H HB3 . ALA A 1 57 ? 1.875 22.084 0.154 1.00 0.00 ? 57 ALA A HB3 9 ATOM 13045 N N . HIS A 1 58 ? 4.635 21.254 1.516 1.00 0.00 ? 58 HIS A N 9 ATOM 13046 C CA . HIS A 1 58 ? 5.630 20.237 1.198 1.00 0.00 ? 58 HIS A CA 9 ATOM 13047 C C . HIS A 1 58 ? 5.799 19.260 2.358 1.00 0.00 ? 58 HIS A C 9 ATOM 13048 O O . HIS A 1 58 ? 5.694 18.045 2.181 1.00 0.00 ? 58 HIS A O 9 ATOM 13049 C CB . HIS A 1 58 ? 6.972 20.891 0.868 1.00 0.00 ? 58 HIS A CB 9 ATOM 13050 C CG . HIS A 1 58 ? 8.086 19.908 0.677 1.00 0.00 ? 58 HIS A CG 9 ATOM 13051 N ND1 . HIS A 1 58 ? 8.499 19.037 1.663 1.00 0.00 ? 58 HIS A ND1 9 ATOM 13052 C CD2 . HIS A 1 58 ? 8.874 19.661 -0.396 1.00 0.00 ? 58 HIS A CD2 9 ATOM 13053 C CE1 . HIS A 1 58 ? 9.494 18.298 1.205 1.00 0.00 ? 58 HIS A CE1 9 ATOM 13054 N NE2 . HIS A 1 58 ? 9.740 18.656 -0.042 1.00 0.00 ? 58 HIS A NE2 9 ATOM 13055 H H . HIS A 1 58 ? 4.878 22.201 1.440 1.00 0.00 ? 58 HIS A H 9 ATOM 13056 H HA . HIS A 1 58 ? 5.283 19.692 0.333 1.00 0.00 ? 58 HIS A HA 9 ATOM 13057 H HB2 . HIS A 1 58 ? 6.872 21.460 -0.044 1.00 0.00 ? 58 HIS A HB2 9 ATOM 13058 H HB3 . HIS A 1 58 ? 7.249 21.555 1.673 1.00 0.00 ? 58 HIS A HB3 9 ATOM 13059 H HD1 . HIS A 1 58 ? 8.121 18.972 2.564 1.00 0.00 ? 58 HIS A HD1 9 ATOM 13060 H HD2 . HIS A 1 58 ? 8.830 20.161 -1.354 1.00 0.00 ? 58 HIS A HD2 9 ATOM 13061 H HE1 . HIS A 1 58 ? 10.017 17.531 1.756 1.00 0.00 ? 58 HIS A HE1 9 ATOM 13062 H HE2 . HIS A 1 58 ? 10.484 18.326 -0.587 1.00 0.00 ? 58 HIS A HE2 9 ATOM 13063 N N . LEU A 1 59 ? 6.061 19.798 3.544 1.00 0.00 ? 59 LEU A N 9 ATOM 13064 C CA . LEU A 1 59 ? 6.245 18.974 4.734 1.00 0.00 ? 59 LEU A CA 9 ATOM 13065 C C . LEU A 1 59 ? 5.093 17.987 4.896 1.00 0.00 ? 59 LEU A C 9 ATOM 13066 O O . LEU A 1 59 ? 5.307 16.779 5.001 1.00 0.00 ? 59 LEU A O 9 ATOM 13067 C CB . LEU A 1 59 ? 6.354 19.857 5.978 1.00 0.00 ? 59 LEU A CB 9 ATOM 13068 C CG . LEU A 1 59 ? 7.753 20.372 6.315 1.00 0.00 ? 59 LEU A CG 9 ATOM 13069 C CD1 . LEU A 1 59 ? 8.498 20.762 5.047 1.00 0.00 ? 59 LEU A CD1 9 ATOM 13070 C CD2 . LEU A 1 59 ? 7.671 21.553 7.272 1.00 0.00 ? 59 LEU A CD2 9 ATOM 13071 H H . LEU A 1 59 ? 6.133 20.771 3.623 1.00 0.00 ? 59 LEU A H 9 ATOM 13072 H HA . LEU A 1 59 ? 7.164 18.419 4.614 1.00 0.00 ? 59 LEU A HA 9 ATOM 13073 H HB2 . LEU A 1 59 ? 5.712 20.712 5.833 1.00 0.00 ? 59 LEU A HB2 9 ATOM 13074 H HB3 . LEU A 1 59 ? 6.000 19.282 6.822 1.00 0.00 ? 59 LEU A HB3 9 ATOM 13075 H HG . LEU A 1 59 ? 8.313 19.585 6.801 1.00 0.00 ? 59 LEU A HG 9 ATOM 13076 H HD11 . LEU A 1 59 ? 8.049 21.647 4.624 1.00 0.00 ? 59 LEU A HD11 9 ATOM 13077 H HD12 . LEU A 1 59 ? 8.442 19.953 4.334 1.00 0.00 ? 59 LEU A HD12 9 ATOM 13078 H HD13 . LEU A 1 59 ? 9.533 20.961 5.285 1.00 0.00 ? 59 LEU A HD13 9 ATOM 13079 H HD21 . LEU A 1 59 ? 7.177 22.379 6.781 1.00 0.00 ? 59 LEU A HD21 9 ATOM 13080 H HD22 . LEU A 1 59 ? 8.668 21.851 7.562 1.00 0.00 ? 59 LEU A HD22 9 ATOM 13081 H HD23 . LEU A 1 59 ? 7.110 21.267 8.149 1.00 0.00 ? 59 LEU A HD23 9 ATOM 13082 N N . SER A 1 60 ? 3.871 18.509 4.914 1.00 0.00 ? 60 SER A N 9 ATOM 13083 C CA . SER A 1 60 ? 2.685 17.674 5.065 1.00 0.00 ? 60 SER A CA 9 ATOM 13084 C C . SER A 1 60 ? 2.733 16.485 4.110 1.00 0.00 ? 60 SER A C 9 ATOM 13085 O O . SER A 1 60 ? 2.098 15.457 4.348 1.00 0.00 ? 60 SER A O 9 ATOM 13086 C CB . SER A 1 60 ? 1.421 18.497 4.810 1.00 0.00 ? 60 SER A CB 9 ATOM 13087 O OG . SER A 1 60 ? 1.171 19.393 5.879 1.00 0.00 ? 60 SER A OG 9 ATOM 13088 H H . SER A 1 60 ? 3.765 19.480 4.826 1.00 0.00 ? 60 SER A H 9 ATOM 13089 H HA . SER A 1 60 ? 2.666 17.305 6.080 1.00 0.00 ? 60 SER A HA 9 ATOM 13090 H HB2 . SER A 1 60 ? 1.541 19.065 3.901 1.00 0.00 ? 60 SER A HB2 9 ATOM 13091 H HB3 . SER A 1 60 ? 0.576 17.831 4.710 1.00 0.00 ? 60 SER A HB3 9 ATOM 13092 H HG . SER A 1 60 ? 0.840 18.905 6.636 1.00 0.00 ? 60 SER A HG 9 ATOM 13093 N N . LEU A 1 61 ? 3.489 16.633 3.028 1.00 0.00 ? 61 LEU A N 9 ATOM 13094 C CA . LEU A 1 61 ? 3.621 15.573 2.035 1.00 0.00 ? 61 LEU A CA 9 ATOM 13095 C C . LEU A 1 61 ? 4.790 14.653 2.373 1.00 0.00 ? 61 LEU A C 9 ATOM 13096 O O . LEU A 1 61 ? 4.619 13.444 2.518 1.00 0.00 ? 61 LEU A O 9 ATOM 13097 C CB . LEU A 1 61 ? 3.815 16.173 0.642 1.00 0.00 ? 61 LEU A CB 9 ATOM 13098 C CG . LEU A 1 61 ? 2.727 17.137 0.169 1.00 0.00 ? 61 LEU A CG 9 ATOM 13099 C CD1 . LEU A 1 61 ? 3.222 17.966 -1.006 1.00 0.00 ? 61 LEU A CD1 9 ATOM 13100 C CD2 . LEU A 1 61 ? 1.465 16.375 -0.208 1.00 0.00 ? 61 LEU A CD2 9 ATOM 13101 H H . LEU A 1 61 ? 3.971 17.476 2.893 1.00 0.00 ? 61 LEU A H 9 ATOM 13102 H HA . LEU A 1 61 ? 2.709 14.994 2.046 1.00 0.00 ? 61 LEU A HA 9 ATOM 13103 H HB2 . LEU A 1 61 ? 4.753 16.706 0.639 1.00 0.00 ? 61 LEU A HB2 9 ATOM 13104 H HB3 . LEU A 1 61 ? 3.865 15.356 -0.065 1.00 0.00 ? 61 LEU A HB3 9 ATOM 13105 H HG . LEU A 1 61 ? 2.481 17.816 0.975 1.00 0.00 ? 61 LEU A HG 9 ATOM 13106 H HD11 . LEU A 1 61 ? 4.052 17.462 -1.478 1.00 0.00 ? 61 LEU A HD11 9 ATOM 13107 H HD12 . LEU A 1 61 ? 3.543 18.935 -0.654 1.00 0.00 ? 61 LEU A HD12 9 ATOM 13108 H HD13 . LEU A 1 61 ? 2.422 18.090 -1.721 1.00 0.00 ? 61 LEU A HD13 9 ATOM 13109 H HD21 . LEU A 1 61 ? 0.797 16.344 0.640 1.00 0.00 ? 61 LEU A HD21 9 ATOM 13110 H HD22 . LEU A 1 61 ? 1.726 15.367 -0.496 1.00 0.00 ? 61 LEU A HD22 9 ATOM 13111 H HD23 . LEU A 1 61 ? 0.977 16.871 -1.033 1.00 0.00 ? 61 LEU A HD23 9 ATOM 13112 N N . GLU A 1 62 ? 5.978 15.237 2.499 1.00 0.00 ? 62 GLU A N 9 ATOM 13113 C CA . GLU A 1 62 ? 7.175 14.469 2.821 1.00 0.00 ? 62 GLU A CA 9 ATOM 13114 C C . GLU A 1 62 ? 6.890 13.455 3.925 1.00 0.00 ? 62 GLU A C 9 ATOM 13115 O O . GLU A 1 62 ? 7.309 12.299 3.845 1.00 0.00 ? 62 GLU A O 9 ATOM 13116 C CB . GLU A 1 62 ? 8.307 15.404 3.252 1.00 0.00 ? 62 GLU A CB 9 ATOM 13117 C CG . GLU A 1 62 ? 8.329 15.685 4.745 1.00 0.00 ? 62 GLU A CG 9 ATOM 13118 C CD . GLU A 1 62 ? 9.555 16.468 5.173 1.00 0.00 ? 62 GLU A CD 9 ATOM 13119 O OE1 . GLU A 1 62 ? 10.059 17.273 4.362 1.00 0.00 ? 62 GLU A OE1 9 ATOM 13120 O OE2 . GLU A 1 62 ? 10.010 16.276 6.321 1.00 0.00 ? 62 GLU A OE2 9 ATOM 13121 H H . GLU A 1 62 ? 6.051 16.206 2.371 1.00 0.00 ? 62 GLU A H 9 ATOM 13122 H HA . GLU A 1 62 ? 7.479 13.939 1.931 1.00 0.00 ? 62 GLU A HA 9 ATOM 13123 H HB2 . GLU A 1 62 ? 9.251 14.959 2.976 1.00 0.00 ? 62 GLU A HB2 9 ATOM 13124 H HB3 . GLU A 1 62 ? 8.198 16.345 2.732 1.00 0.00 ? 62 GLU A HB3 9 ATOM 13125 H HG2 . GLU A 1 62 ? 7.449 16.254 5.005 1.00 0.00 ? 62 GLU A HG2 9 ATOM 13126 H HG3 . GLU A 1 62 ? 8.318 14.744 5.276 1.00 0.00 ? 62 GLU A HG3 9 ATOM 13127 N N . LEU A 1 63 ? 6.176 13.895 4.955 1.00 0.00 ? 63 LEU A N 9 ATOM 13128 C CA . LEU A 1 63 ? 5.835 13.027 6.076 1.00 0.00 ? 63 LEU A CA 9 ATOM 13129 C C . LEU A 1 63 ? 4.872 11.928 5.640 1.00 0.00 ? 63 LEU A C 9 ATOM 13130 O O . LEU A 1 63 ? 5.013 10.772 6.040 1.00 0.00 ? 63 LEU A O 9 ATOM 13131 C CB . LEU A 1 63 ? 5.214 13.845 7.210 1.00 0.00 ? 63 LEU A CB 9 ATOM 13132 C CG . LEU A 1 63 ? 6.183 14.688 8.039 1.00 0.00 ? 63 LEU A CG 9 ATOM 13133 C CD1 . LEU A 1 63 ? 5.423 15.680 8.905 1.00 0.00 ? 63 LEU A CD1 9 ATOM 13134 C CD2 . LEU A 1 63 ? 7.065 13.794 8.899 1.00 0.00 ? 63 LEU A CD2 9 ATOM 13135 H H . LEU A 1 63 ? 5.871 14.826 4.962 1.00 0.00 ? 63 LEU A H 9 ATOM 13136 H HA . LEU A 1 63 ? 6.747 12.571 6.431 1.00 0.00 ? 63 LEU A HA 9 ATOM 13137 H HB2 . LEU A 1 63 ? 4.485 14.512 6.775 1.00 0.00 ? 63 LEU A HB2 9 ATOM 13138 H HB3 . LEU A 1 63 ? 4.716 13.158 7.878 1.00 0.00 ? 63 LEU A HB3 9 ATOM 13139 H HG . LEU A 1 63 ? 6.824 15.249 7.373 1.00 0.00 ? 63 LEU A HG 9 ATOM 13140 H HD11 . LEU A 1 63 ? 4.962 15.159 9.730 1.00 0.00 ? 63 LEU A HD11 9 ATOM 13141 H HD12 . LEU A 1 63 ? 4.659 16.163 8.313 1.00 0.00 ? 63 LEU A HD12 9 ATOM 13142 H HD13 . LEU A 1 63 ? 6.107 16.425 9.285 1.00 0.00 ? 63 LEU A HD13 9 ATOM 13143 H HD21 . LEU A 1 63 ? 7.112 12.807 8.462 1.00 0.00 ? 63 LEU A HD21 9 ATOM 13144 H HD22 . LEU A 1 63 ? 6.649 13.728 9.894 1.00 0.00 ? 63 LEU A HD22 9 ATOM 13145 H HD23 . LEU A 1 63 ? 8.060 14.212 8.951 1.00 0.00 ? 63 LEU A HD23 9 ATOM 13146 N N . GLN A 1 64 ? 3.896 12.296 4.817 1.00 0.00 ? 64 GLN A N 9 ATOM 13147 C CA . GLN A 1 64 ? 2.910 11.339 4.326 1.00 0.00 ? 64 GLN A CA 9 ATOM 13148 C C . GLN A 1 64 ? 3.581 10.233 3.519 1.00 0.00 ? 64 GLN A C 9 ATOM 13149 O O . GLN A 1 64 ? 3.302 9.050 3.717 1.00 0.00 ? 64 GLN A O 9 ATOM 13150 C CB . GLN A 1 64 ? 1.863 12.050 3.467 1.00 0.00 ? 64 GLN A CB 9 ATOM 13151 C CG . GLN A 1 64 ? 0.575 11.260 3.300 1.00 0.00 ? 64 GLN A CG 9 ATOM 13152 C CD . GLN A 1 64 ? -0.548 12.092 2.714 1.00 0.00 ? 64 GLN A CD 9 ATOM 13153 O OE1 . GLN A 1 64 ? -0.308 13.092 2.038 1.00 0.00 ? 64 GLN A OE1 9 ATOM 13154 N NE2 . GLN A 1 64 ? -1.785 11.682 2.971 1.00 0.00 ? 64 GLN A NE2 9 ATOM 13155 H H . GLN A 1 64 ? 3.836 13.231 4.534 1.00 0.00 ? 64 GLN A H 9 ATOM 13156 H HA . GLN A 1 64 ? 2.422 10.898 5.181 1.00 0.00 ? 64 GLN A HA 9 ATOM 13157 H HB2 . GLN A 1 64 ? 1.622 12.998 3.925 1.00 0.00 ? 64 GLN A HB2 9 ATOM 13158 H HB3 . GLN A 1 64 ? 2.280 12.228 2.487 1.00 0.00 ? 64 GLN A HB3 9 ATOM 13159 H HG2 . GLN A 1 64 ? 0.763 10.424 2.643 1.00 0.00 ? 64 GLN A HG2 9 ATOM 13160 H HG3 . GLN A 1 64 ? 0.266 10.893 4.268 1.00 0.00 ? 64 GLN A HG3 9 ATOM 13161 H HE21 . GLN A 1 64 ? -1.901 10.877 3.519 1.00 0.00 ? 64 GLN A HE21 9 ATOM 13162 H HE22 . GLN A 1 64 ? -2.530 12.202 2.606 1.00 0.00 ? 64 GLN A HE22 9 ATOM 13163 N N . ARG A 1 65 ? 4.467 10.625 2.609 1.00 0.00 ? 65 ARG A N 9 ATOM 13164 C CA . ARG A 1 65 ? 5.176 9.666 1.770 1.00 0.00 ? 65 ARG A CA 9 ATOM 13165 C C . ARG A 1 65 ? 5.874 8.610 2.623 1.00 0.00 ? 65 ARG A C 9 ATOM 13166 O O . ARG A 1 65 ? 5.763 7.413 2.360 1.00 0.00 ? 65 ARG A O 9 ATOM 13167 C CB . ARG A 1 65 ? 6.200 10.385 0.890 1.00 0.00 ? 65 ARG A CB 9 ATOM 13168 C CG . ARG A 1 65 ? 6.650 9.570 -0.311 1.00 0.00 ? 65 ARG A CG 9 ATOM 13169 C CD . ARG A 1 65 ? 7.951 10.103 -0.891 1.00 0.00 ? 65 ARG A CD 9 ATOM 13170 N NE . ARG A 1 65 ? 8.976 10.280 0.135 1.00 0.00 ? 65 ARG A NE 9 ATOM 13171 C CZ . ARG A 1 65 ? 10.092 10.975 -0.053 1.00 0.00 ? 65 ARG A CZ 9 ATOM 13172 N NH1 . ARG A 1 65 ? 10.326 11.556 -1.222 1.00 0.00 ? 65 ARG A NH1 9 ATOM 13173 N NH2 . ARG A 1 65 ? 10.977 11.091 0.929 1.00 0.00 ? 65 ARG A NH2 9 ATOM 13174 H H . ARG A 1 65 ? 4.647 11.582 2.497 1.00 0.00 ? 65 ARG A H 9 ATOM 13175 H HA . ARG A 1 65 ? 4.450 9.178 1.137 1.00 0.00 ? 65 ARG A HA 9 ATOM 13176 H HB2 . ARG A 1 65 ? 5.765 11.305 0.530 1.00 0.00 ? 65 ARG A HB2 9 ATOM 13177 H HB3 . ARG A 1 65 ? 7.070 10.616 1.487 1.00 0.00 ? 65 ARG A HB3 9 ATOM 13178 H HG2 . ARG A 1 65 ? 6.800 8.545 -0.004 1.00 0.00 ? 65 ARG A HG2 9 ATOM 13179 H HG3 . ARG A 1 65 ? 5.884 9.612 -1.070 1.00 0.00 ? 65 ARG A HG3 9 ATOM 13180 H HD2 . ARG A 1 65 ? 8.313 9.405 -1.631 1.00 0.00 ? 65 ARG A HD2 9 ATOM 13181 H HD3 . ARG A 1 65 ? 7.756 11.056 -1.360 1.00 0.00 ? 65 ARG A HD3 9 ATOM 13182 H HE . ARG A 1 65 ? 8.823 9.859 1.006 1.00 0.00 ? 65 ARG A HE 9 ATOM 13183 H HH11 . ARG A 1 65 ? 9.660 11.471 -1.963 1.00 0.00 ? 65 ARG A HH11 9 ATOM 13184 H HH12 . ARG A 1 65 ? 11.167 12.080 -1.361 1.00 0.00 ? 65 ARG A HH12 9 ATOM 13185 H HH21 . ARG A 1 65 ? 10.804 10.654 1.811 1.00 0.00 ? 65 ARG A HH21 9 ATOM 13186 H HH22 . ARG A 1 65 ? 11.816 11.614 0.786 1.00 0.00 ? 65 ARG A HH22 9 ATOM 13187 N N . ASP A 1 66 ? 6.593 9.063 3.644 1.00 0.00 ? 66 ASP A N 9 ATOM 13188 C CA . ASP A 1 66 ? 7.308 8.158 4.536 1.00 0.00 ? 66 ASP A CA 9 ATOM 13189 C C . ASP A 1 66 ? 6.523 6.866 4.745 1.00 0.00 ? 66 ASP A C 9 ATOM 13190 O O . ASP A 1 66 ? 6.916 5.805 4.261 1.00 0.00 ? 66 ASP A O 9 ATOM 13191 C CB . ASP A 1 66 ? 7.568 8.834 5.883 1.00 0.00 ? 66 ASP A CB 9 ATOM 13192 C CG . ASP A 1 66 ? 8.297 7.928 6.855 1.00 0.00 ? 66 ASP A CG 9 ATOM 13193 O OD1 . ASP A 1 66 ? 9.538 7.827 6.755 1.00 0.00 ? 66 ASP A OD1 9 ATOM 13194 O OD2 . ASP A 1 66 ? 7.628 7.319 7.716 1.00 0.00 ? 66 ASP A OD2 9 ATOM 13195 H H . ASP A 1 66 ? 6.643 10.029 3.803 1.00 0.00 ? 66 ASP A H 9 ATOM 13196 H HA . ASP A 1 66 ? 8.255 7.918 4.076 1.00 0.00 ? 66 ASP A HA 9 ATOM 13197 H HB2 . ASP A 1 66 ? 8.168 9.718 5.725 1.00 0.00 ? 66 ASP A HB2 9 ATOM 13198 H HB3 . ASP A 1 66 ? 6.624 9.119 6.323 1.00 0.00 ? 66 ASP A HB3 9 ATOM 13199 N N . SER A 1 67 ? 5.413 6.965 5.468 1.00 0.00 ? 67 SER A N 9 ATOM 13200 C CA . SER A 1 67 ? 4.575 5.804 5.744 1.00 0.00 ? 67 SER A CA 9 ATOM 13201 C C . SER A 1 67 ? 4.285 5.026 4.465 1.00 0.00 ? 67 SER A C 9 ATOM 13202 O O . SER A 1 67 ? 4.627 3.849 4.349 1.00 0.00 ? 67 SER A O 9 ATOM 13203 C CB . SER A 1 67 ? 3.262 6.240 6.398 1.00 0.00 ? 67 SER A CB 9 ATOM 13204 O OG . SER A 1 67 ? 2.545 7.130 5.559 1.00 0.00 ? 67 SER A OG 9 ATOM 13205 H H . SER A 1 67 ? 5.152 7.840 5.826 1.00 0.00 ? 67 SER A H 9 ATOM 13206 H HA . SER A 1 67 ? 5.112 5.163 6.428 1.00 0.00 ? 67 SER A HA 9 ATOM 13207 H HB2 . SER A 1 67 ? 2.651 5.371 6.587 1.00 0.00 ? 67 SER A HB2 9 ATOM 13208 H HB3 . SER A 1 67 ? 3.477 6.739 7.332 1.00 0.00 ? 67 SER A HB3 9 ATOM 13209 H HG . SER A 1 67 ? 2.126 7.807 6.095 1.00 0.00 ? 67 SER A HG 9 ATOM 13210 N N . HIS A 1 68 ? 3.651 5.693 3.505 1.00 0.00 ? 68 HIS A N 9 ATOM 13211 C CA . HIS A 1 68 ? 3.315 5.065 2.232 1.00 0.00 ? 68 HIS A CA 9 ATOM 13212 C C . HIS A 1 68 ? 4.417 4.107 1.791 1.00 0.00 ? 68 HIS A C 9 ATOM 13213 O O . HIS A 1 68 ? 4.157 3.125 1.097 1.00 0.00 ? 68 HIS A O 9 ATOM 13214 C CB . HIS A 1 68 ? 3.088 6.130 1.158 1.00 0.00 ? 68 HIS A CB 9 ATOM 13215 C CG . HIS A 1 68 ? 1.674 6.619 1.089 1.00 0.00 ? 68 HIS A CG 9 ATOM 13216 N ND1 . HIS A 1 68 ? 0.661 5.908 0.482 1.00 0.00 ? 68 HIS A ND1 9 ATOM 13217 C CD2 . HIS A 1 68 ? 1.107 7.756 1.555 1.00 0.00 ? 68 HIS A CD2 9 ATOM 13218 C CE1 . HIS A 1 68 ? -0.469 6.586 0.577 1.00 0.00 ? 68 HIS A CE1 9 ATOM 13219 N NE2 . HIS A 1 68 ? -0.225 7.712 1.224 1.00 0.00 ? 68 HIS A NE2 9 ATOM 13220 H H . HIS A 1 68 ? 3.404 6.629 3.656 1.00 0.00 ? 68 HIS A H 9 ATOM 13221 H HA . HIS A 1 68 ? 2.402 4.505 2.369 1.00 0.00 ? 68 HIS A HA 9 ATOM 13222 H HB2 . HIS A 1 68 ? 3.723 6.980 1.364 1.00 0.00 ? 68 HIS A HB2 9 ATOM 13223 H HB3 . HIS A 1 68 ? 3.346 5.719 0.193 1.00 0.00 ? 68 HIS A HB3 9 ATOM 13224 H HD1 . HIS A 1 68 ? 0.756 5.036 0.046 1.00 0.00 ? 68 HIS A HD1 9 ATOM 13225 H HD2 . HIS A 1 68 ? 1.609 8.552 2.088 1.00 0.00 ? 68 HIS A HD2 9 ATOM 13226 H HE1 . HIS A 1 68 ? -1.428 6.275 0.192 1.00 0.00 ? 68 HIS A HE1 9 ATOM 13227 H HE2 . HIS A 1 68 ? -0.870 8.437 1.357 1.00 0.00 ? 68 HIS A HE2 9 ATOM 13228 N N . MET A 1 69 ? 5.647 4.401 2.197 1.00 0.00 ? 69 MET A N 9 ATOM 13229 C CA . MET A 1 69 ? 6.789 3.565 1.844 1.00 0.00 ? 69 MET A CA 9 ATOM 13230 C C . MET A 1 69 ? 7.090 2.560 2.951 1.00 0.00 ? 69 MET A C 9 ATOM 13231 O O . MET A 1 69 ? 7.350 1.386 2.685 1.00 0.00 ? 69 MET A O 9 ATOM 13232 C CB . MET A 1 69 ? 8.021 4.432 1.577 1.00 0.00 ? 69 MET A CB 9 ATOM 13233 C CG . MET A 1 69 ? 7.985 5.142 0.233 1.00 0.00 ? 69 MET A CG 9 ATOM 13234 S SD . MET A 1 69 ? 8.782 4.191 -1.075 1.00 0.00 ? 69 MET A SD 9 ATOM 13235 C CE . MET A 1 69 ? 8.213 2.538 -0.688 1.00 0.00 ? 69 MET A CE 9 ATOM 13236 H H . MET A 1 69 ? 5.792 5.198 2.749 1.00 0.00 ? 69 MET A H 9 ATOM 13237 H HA . MET A 1 69 ? 6.538 3.025 0.943 1.00 0.00 ? 69 MET A HA 9 ATOM 13238 H HB2 . MET A 1 69 ? 8.095 5.180 2.353 1.00 0.00 ? 69 MET A HB2 9 ATOM 13239 H HB3 . MET A 1 69 ? 8.900 3.807 1.606 1.00 0.00 ? 69 MET A HB3 9 ATOM 13240 H HG2 . MET A 1 69 ? 6.954 5.312 -0.042 1.00 0.00 ? 69 MET A HG2 9 ATOM 13241 H HG3 . MET A 1 69 ? 8.491 6.091 0.330 1.00 0.00 ? 69 MET A HG3 9 ATOM 13242 H HE1 . MET A 1 69 ? 8.751 1.821 -1.290 1.00 0.00 ? 69 MET A HE1 9 ATOM 13243 H HE2 . MET A 1 69 ? 8.388 2.333 0.358 1.00 0.00 ? 69 MET A HE2 9 ATOM 13244 H HE3 . MET A 1 69 ? 7.156 2.463 -0.898 1.00 0.00 ? 69 MET A HE3 9 ATOM 13245 N N . LYS A 1 70 ? 7.054 3.027 4.194 1.00 0.00 ? 70 LYS A N 9 ATOM 13246 C CA . LYS A 1 70 ? 7.322 2.170 5.343 1.00 0.00 ? 70 LYS A CA 9 ATOM 13247 C C . LYS A 1 70 ? 6.533 0.869 5.247 1.00 0.00 ? 70 LYS A C 9 ATOM 13248 O O . LYS A 1 70 ? 7.044 -0.203 5.571 1.00 0.00 ? 70 LYS A O 9 ATOM 13249 C CB . LYS A 1 70 ? 6.970 2.898 6.642 1.00 0.00 ? 70 LYS A CB 9 ATOM 13250 C CG . LYS A 1 70 ? 5.547 2.650 7.111 1.00 0.00 ? 70 LYS A CG 9 ATOM 13251 C CD . LYS A 1 70 ? 5.258 3.368 8.419 1.00 0.00 ? 70 LYS A CD 9 ATOM 13252 C CE . LYS A 1 70 ? 5.765 2.576 9.614 1.00 0.00 ? 70 LYS A CE 9 ATOM 13253 N NZ . LYS A 1 70 ? 5.378 3.209 10.905 1.00 0.00 ? 70 LYS A NZ 9 ATOM 13254 H H . LYS A 1 70 ? 6.841 3.973 4.343 1.00 0.00 ? 70 LYS A H 9 ATOM 13255 H HA . LYS A 1 70 ? 8.377 1.938 5.345 1.00 0.00 ? 70 LYS A HA 9 ATOM 13256 H HB2 . LYS A 1 70 ? 7.645 2.571 7.419 1.00 0.00 ? 70 LYS A HB2 9 ATOM 13257 H HB3 . LYS A 1 70 ? 7.097 3.961 6.491 1.00 0.00 ? 70 LYS A HB3 9 ATOM 13258 H HG2 . LYS A 1 70 ? 4.861 3.008 6.358 1.00 0.00 ? 70 LYS A HG2 9 ATOM 13259 H HG3 . LYS A 1 70 ? 5.405 1.589 7.255 1.00 0.00 ? 70 LYS A HG3 9 ATOM 13260 H HD2 . LYS A 1 70 ? 5.747 4.331 8.407 1.00 0.00 ? 70 LYS A HD2 9 ATOM 13261 H HD3 . LYS A 1 70 ? 4.190 3.505 8.516 1.00 0.00 ? 70 LYS A HD3 9 ATOM 13262 H HE2 . LYS A 1 70 ? 5.350 1.581 9.572 1.00 0.00 ? 70 LYS A HE2 9 ATOM 13263 H HE3 . LYS A 1 70 ? 6.843 2.518 9.560 1.00 0.00 ? 70 LYS A HE3 9 ATOM 13264 H HZ1 . LYS A 1 70 ? 6.123 3.862 11.220 1.00 0.00 ? 70 LYS A HZ1 9 ATOM 13265 H HZ2 . LYS A 1 70 ? 5.241 2.480 11.633 1.00 0.00 ? 70 LYS A HZ2 9 ATOM 13266 H HZ3 . LYS A 1 70 ? 4.491 3.740 10.790 1.00 0.00 ? 70 LYS A HZ3 9 ATOM 13267 N N . GLN A 1 71 ? 5.286 0.971 4.799 1.00 0.00 ? 71 GLN A N 9 ATOM 13268 C CA . GLN A 1 71 ? 4.426 -0.199 4.659 1.00 0.00 ? 71 GLN A CA 9 ATOM 13269 C C . GLN A 1 71 ? 4.882 -1.074 3.496 1.00 0.00 ? 71 GLN A C 9 ATOM 13270 O O . GLN A 1 71 ? 5.124 -2.270 3.662 1.00 0.00 ? 71 GLN A O 9 ATOM 13271 C CB . GLN A 1 71 ? 2.973 0.230 4.451 1.00 0.00 ? 71 GLN A CB 9 ATOM 13272 C CG . GLN A 1 71 ? 2.274 0.651 5.734 1.00 0.00 ? 71 GLN A CG 9 ATOM 13273 C CD . GLN A 1 71 ? 1.937 -0.527 6.627 1.00 0.00 ? 71 GLN A CD 9 ATOM 13274 O OE1 . GLN A 1 71 ? 0.830 -1.065 6.574 1.00 0.00 ? 71 GLN A OE1 9 ATOM 13275 N NE2 . GLN A 1 71 ? 2.892 -0.934 7.456 1.00 0.00 ? 71 GLN A NE2 9 ATOM 13276 H H . GLN A 1 71 ? 4.935 1.853 4.556 1.00 0.00 ? 71 GLN A H 9 ATOM 13277 H HA . GLN A 1 71 ? 4.496 -0.772 5.572 1.00 0.00 ? 71 GLN A HA 9 ATOM 13278 H HB2 . GLN A 1 71 ? 2.952 1.064 3.765 1.00 0.00 ? 71 GLN A HB2 9 ATOM 13279 H HB3 . GLN A 1 71 ? 2.425 -0.595 4.021 1.00 0.00 ? 71 GLN A HB3 9 ATOM 13280 H HG2 . GLN A 1 71 ? 2.920 1.322 6.279 1.00 0.00 ? 71 GLN A HG2 9 ATOM 13281 H HG3 . GLN A 1 71 ? 1.358 1.163 5.477 1.00 0.00 ? 71 GLN A HG3 9 ATOM 13282 H HE21 . GLN A 1 71 ? 3.748 -0.457 7.444 1.00 0.00 ? 71 GLN A HE21 9 ATOM 13283 H HE22 . GLN A 1 71 ? 2.701 -1.692 8.045 1.00 0.00 ? 71 GLN A HE22 9 ATOM 13284 N N . LEU A 1 72 ? 4.997 -0.470 2.318 1.00 0.00 ? 72 LEU A N 9 ATOM 13285 C CA . LEU A 1 72 ? 5.423 -1.194 1.126 1.00 0.00 ? 72 LEU A CA 9 ATOM 13286 C C . LEU A 1 72 ? 6.544 -2.174 1.456 1.00 0.00 ? 72 LEU A C 9 ATOM 13287 O O . LEU A 1 72 ? 6.456 -3.363 1.143 1.00 0.00 ? 72 LEU A O 9 ATOM 13288 C CB . LEU A 1 72 ? 5.889 -0.213 0.049 1.00 0.00 ? 72 LEU A CB 9 ATOM 13289 C CG . LEU A 1 72 ? 6.439 -0.836 -1.234 1.00 0.00 ? 72 LEU A CG 9 ATOM 13290 C CD1 . LEU A 1 72 ? 5.627 -2.061 -1.624 1.00 0.00 ? 72 LEU A CD1 9 ATOM 13291 C CD2 . LEU A 1 72 ? 6.444 0.184 -2.364 1.00 0.00 ? 72 LEU A CD2 9 ATOM 13292 H H . LEU A 1 72 ? 4.790 0.485 2.248 1.00 0.00 ? 72 LEU A H 9 ATOM 13293 H HA . LEU A 1 72 ? 4.574 -1.749 0.754 1.00 0.00 ? 72 LEU A HA 9 ATOM 13294 H HB2 . LEU A 1 72 ? 5.047 0.407 -0.220 1.00 0.00 ? 72 LEU A HB2 9 ATOM 13295 H HB3 . LEU A 1 72 ? 6.665 0.404 0.478 1.00 0.00 ? 72 LEU A HB3 9 ATOM 13296 H HG . LEU A 1 72 ? 7.459 -1.153 -1.064 1.00 0.00 ? 72 LEU A HG 9 ATOM 13297 H HD11 . LEU A 1 72 ? 4.653 -1.752 -1.970 1.00 0.00 ? 72 LEU A HD11 9 ATOM 13298 H HD12 . LEU A 1 72 ? 5.516 -2.708 -0.766 1.00 0.00 ? 72 LEU A HD12 9 ATOM 13299 H HD13 . LEU A 1 72 ? 6.137 -2.596 -2.413 1.00 0.00 ? 72 LEU A HD13 9 ATOM 13300 H HD21 . LEU A 1 72 ? 7.452 0.539 -2.523 1.00 0.00 ? 72 LEU A HD21 9 ATOM 13301 H HD22 . LEU A 1 72 ? 5.807 1.016 -2.100 1.00 0.00 ? 72 LEU A HD22 9 ATOM 13302 H HD23 . LEU A 1 72 ? 6.078 -0.279 -3.268 1.00 0.00 ? 72 LEU A HD23 9 ATOM 13303 N N . LEU A 1 73 ? 7.596 -1.670 2.090 1.00 0.00 ? 73 LEU A N 9 ATOM 13304 C CA . LEU A 1 73 ? 8.735 -2.501 2.465 1.00 0.00 ? 73 LEU A CA 9 ATOM 13305 C C . LEU A 1 73 ? 8.316 -3.583 3.456 1.00 0.00 ? 73 LEU A C 9 ATOM 13306 O O . LEU A 1 73 ? 8.880 -4.678 3.471 1.00 0.00 ? 73 LEU A O 9 ATOM 13307 C CB . LEU A 1 73 ? 9.843 -1.639 3.072 1.00 0.00 ? 73 LEU A CB 9 ATOM 13308 C CG . LEU A 1 73 ? 10.121 -0.310 2.368 1.00 0.00 ? 73 LEU A CG 9 ATOM 13309 C CD1 . LEU A 1 73 ? 11.375 0.340 2.932 1.00 0.00 ? 73 LEU A CD1 9 ATOM 13310 C CD2 . LEU A 1 73 ? 10.255 -0.519 0.867 1.00 0.00 ? 73 LEU A CD2 9 ATOM 13311 H H . LEU A 1 73 ? 7.609 -0.716 2.312 1.00 0.00 ? 73 LEU A H 9 ATOM 13312 H HA . LEU A 1 73 ? 9.108 -2.975 1.570 1.00 0.00 ? 73 LEU A HA 9 ATOM 13313 H HB2 . LEU A 1 73 ? 9.571 -1.421 4.093 1.00 0.00 ? 73 LEU A HB2 9 ATOM 13314 H HB3 . LEU A 1 73 ? 10.756 -2.218 3.060 1.00 0.00 ? 73 LEU A HB3 9 ATOM 13315 H HG . LEU A 1 73 ? 9.291 0.362 2.541 1.00 0.00 ? 73 LEU A HG 9 ATOM 13316 H HD11 . LEU A 1 73 ? 12.032 0.617 2.121 1.00 0.00 ? 73 LEU A HD11 9 ATOM 13317 H HD12 . LEU A 1 73 ? 11.881 -0.357 3.583 1.00 0.00 ? 73 LEU A HD12 9 ATOM 13318 H HD13 . LEU A 1 73 ? 11.102 1.222 3.492 1.00 0.00 ? 73 LEU A HD13 9 ATOM 13319 H HD21 . LEU A 1 73 ? 10.200 0.435 0.365 1.00 0.00 ? 73 LEU A HD21 9 ATOM 13320 H HD22 . LEU A 1 73 ? 9.454 -1.156 0.519 1.00 0.00 ? 73 LEU A HD22 9 ATOM 13321 H HD23 . LEU A 1 73 ? 11.205 -0.986 0.652 1.00 0.00 ? 73 LEU A HD23 9 ATOM 13322 N N . LEU A 1 74 ? 7.324 -3.269 4.281 1.00 0.00 ? 74 LEU A N 9 ATOM 13323 C CA . LEU A 1 74 ? 6.827 -4.215 5.275 1.00 0.00 ? 74 LEU A CA 9 ATOM 13324 C C . LEU A 1 74 ? 5.846 -5.200 4.646 1.00 0.00 ? 74 LEU A C 9 ATOM 13325 O O . LEU A 1 74 ? 5.593 -6.274 5.193 1.00 0.00 ? 74 LEU A O 9 ATOM 13326 C CB . LEU A 1 74 ? 6.151 -3.468 6.426 1.00 0.00 ? 74 LEU A CB 9 ATOM 13327 C CG . LEU A 1 74 ? 7.079 -2.939 7.520 1.00 0.00 ? 74 LEU A CG 9 ATOM 13328 C CD1 . LEU A 1 74 ? 6.311 -2.053 8.489 1.00 0.00 ? 74 LEU A CD1 9 ATOM 13329 C CD2 . LEU A 1 74 ? 7.742 -4.092 8.259 1.00 0.00 ? 74 LEU A CD2 9 ATOM 13330 H H . LEU A 1 74 ? 6.914 -2.381 4.222 1.00 0.00 ? 74 LEU A H 9 ATOM 13331 H HA . LEU A 1 74 ? 7.673 -4.765 5.661 1.00 0.00 ? 74 LEU A HA 9 ATOM 13332 H HB2 . LEU A 1 74 ? 5.620 -2.627 6.007 1.00 0.00 ? 74 LEU A HB2 9 ATOM 13333 H HB3 . LEU A 1 74 ? 5.444 -4.144 6.887 1.00 0.00 ? 74 LEU A HB3 9 ATOM 13334 H HG . LEU A 1 74 ? 7.856 -2.341 7.065 1.00 0.00 ? 74 LEU A HG 9 ATOM 13335 H HD11 . LEU A 1 74 ? 5.999 -1.152 7.982 1.00 0.00 ? 74 LEU A HD11 9 ATOM 13336 H HD12 . LEU A 1 74 ? 6.948 -1.796 9.322 1.00 0.00 ? 74 LEU A HD12 9 ATOM 13337 H HD13 . LEU A 1 74 ? 5.442 -2.584 8.850 1.00 0.00 ? 74 LEU A HD13 9 ATOM 13338 H HD21 . LEU A 1 74 ? 6.983 -4.739 8.673 1.00 0.00 ? 74 LEU A HD21 9 ATOM 13339 H HD22 . LEU A 1 74 ? 8.356 -3.701 9.059 1.00 0.00 ? 74 LEU A HD22 9 ATOM 13340 H HD23 . LEU A 1 74 ? 8.359 -4.653 7.573 1.00 0.00 ? 74 LEU A HD23 9 ATOM 13341 N N . ILE A 1 75 ? 5.298 -4.828 3.495 1.00 0.00 ? 75 ILE A N 9 ATOM 13342 C CA . ILE A 1 75 ? 4.348 -5.679 2.791 1.00 0.00 ? 75 ILE A CA 9 ATOM 13343 C C . ILE A 1 75 ? 5.065 -6.653 1.862 1.00 0.00 ? 75 ILE A C 9 ATOM 13344 O O . ILE A 1 75 ? 4.691 -7.821 1.762 1.00 0.00 ? 75 ILE A O 9 ATOM 13345 C CB . ILE A 1 75 ? 3.346 -4.847 1.969 1.00 0.00 ? 75 ILE A CB 9 ATOM 13346 C CG1 . ILE A 1 75 ? 2.512 -3.955 2.892 1.00 0.00 ? 75 ILE A CG1 9 ATOM 13347 C CG2 . ILE A 1 75 ? 2.446 -5.759 1.149 1.00 0.00 ? 75 ILE A CG2 9 ATOM 13348 C CD1 . ILE A 1 75 ? 1.382 -3.243 2.183 1.00 0.00 ? 75 ILE A CD1 9 ATOM 13349 H H . ILE A 1 75 ? 5.539 -3.960 3.109 1.00 0.00 ? 75 ILE A H 9 ATOM 13350 H HA . ILE A 1 75 ? 3.796 -6.244 3.529 1.00 0.00 ? 75 ILE A HA 9 ATOM 13351 H HB . ILE A 1 75 ? 3.905 -4.224 1.287 1.00 0.00 ? 75 ILE A HB 9 ATOM 13352 H HG12 . ILE A 1 75 ? 2.083 -4.560 3.675 1.00 0.00 ? 75 ILE A HG12 9 ATOM 13353 H HG13 . ILE A 1 75 ? 3.154 -3.206 3.332 1.00 0.00 ? 75 ILE A HG13 9 ATOM 13354 H HG21 . ILE A 1 75 ? 1.415 -5.578 1.412 1.00 0.00 ? 75 ILE A HG21 9 ATOM 13355 H HG22 . ILE A 1 75 ? 2.589 -5.555 0.098 1.00 0.00 ? 75 ILE A HG22 9 ATOM 13356 H HG23 . ILE A 1 75 ? 2.695 -6.789 1.353 1.00 0.00 ? 75 ILE A HG23 9 ATOM 13357 H HD11 . ILE A 1 75 ? 1.328 -3.580 1.159 1.00 0.00 ? 75 ILE A HD11 9 ATOM 13358 H HD12 . ILE A 1 75 ? 0.450 -3.458 2.684 1.00 0.00 ? 75 ILE A HD12 9 ATOM 13359 H HD13 . ILE A 1 75 ? 1.562 -2.177 2.201 1.00 0.00 ? 75 ILE A HD13 9 ATOM 13360 N N . GLN A 1 76 ? 6.099 -6.163 1.184 1.00 0.00 ? 76 GLN A N 9 ATOM 13361 C CA . GLN A 1 76 ? 6.870 -6.990 0.264 1.00 0.00 ? 76 GLN A CA 9 ATOM 13362 C C . GLN A 1 76 ? 7.446 -8.208 0.979 1.00 0.00 ? 76 GLN A C 9 ATOM 13363 O O . GLN A 1 76 ? 7.295 -9.339 0.518 1.00 0.00 ? 76 GLN A O 9 ATOM 13364 C CB . GLN A 1 76 ? 7.998 -6.173 -0.367 1.00 0.00 ? 76 GLN A CB 9 ATOM 13365 C CG . GLN A 1 76 ? 7.531 -5.249 -1.480 1.00 0.00 ? 76 GLN A CG 9 ATOM 13366 C CD . GLN A 1 76 ? 8.664 -4.810 -2.388 1.00 0.00 ? 76 GLN A CD 9 ATOM 13367 O OE1 . GLN A 1 76 ? 9.193 -5.604 -3.167 1.00 0.00 ? 76 GLN A OE1 9 ATOM 13368 N NE2 . GLN A 1 76 ? 9.042 -3.541 -2.292 1.00 0.00 ? 76 GLN A NE2 9 ATOM 13369 H H . GLN A 1 76 ? 6.348 -5.224 1.306 1.00 0.00 ? 76 GLN A H 9 ATOM 13370 H HA . GLN A 1 76 ? 6.204 -7.328 -0.515 1.00 0.00 ? 76 GLN A HA 9 ATOM 13371 H HB2 . GLN A 1 76 ? 8.463 -5.572 0.400 1.00 0.00 ? 76 GLN A HB2 9 ATOM 13372 H HB3 . GLN A 1 76 ? 8.733 -6.851 -0.776 1.00 0.00 ? 76 GLN A HB3 9 ATOM 13373 H HG2 . GLN A 1 76 ? 6.794 -5.767 -2.075 1.00 0.00 ? 76 GLN A HG2 9 ATOM 13374 H HG3 . GLN A 1 76 ? 7.083 -4.372 -1.038 1.00 0.00 ? 76 GLN A HG3 9 ATOM 13375 H HE21 . GLN A 1 76 ? 8.576 -2.967 -1.648 1.00 0.00 ? 76 GLN A HE21 9 ATOM 13376 H HE22 . GLN A 1 76 ? 9.772 -3.231 -2.866 1.00 0.00 ? 76 GLN A HE22 9 ATOM 13377 N N . GLU A 1 77 ? 8.107 -7.968 2.107 1.00 0.00 ? 77 GLU A N 9 ATOM 13378 C CA . GLU A 1 77 ? 8.707 -9.046 2.885 1.00 0.00 ? 77 GLU A CA 9 ATOM 13379 C C . GLU A 1 77 ? 7.640 -10.015 3.385 1.00 0.00 ? 77 GLU A C 9 ATOM 13380 O O . GLU A 1 77 ? 7.869 -11.222 3.461 1.00 0.00 ? 77 GLU A O 9 ATOM 13381 C CB . GLU A 1 77 ? 9.490 -8.475 4.069 1.00 0.00 ? 77 GLU A CB 9 ATOM 13382 C CG . GLU A 1 77 ? 8.630 -7.692 5.047 1.00 0.00 ? 77 GLU A CG 9 ATOM 13383 C CD . GLU A 1 77 ? 9.239 -7.623 6.434 1.00 0.00 ? 77 GLU A CD 9 ATOM 13384 O OE1 . GLU A 1 77 ? 10.264 -8.298 6.665 1.00 0.00 ? 77 GLU A OE1 9 ATOM 13385 O OE2 . GLU A 1 77 ? 8.691 -6.894 7.287 1.00 0.00 ? 77 GLU A OE2 9 ATOM 13386 H H . GLU A 1 77 ? 8.194 -7.044 2.424 1.00 0.00 ? 77 GLU A H 9 ATOM 13387 H HA . GLU A 1 77 ? 9.388 -9.581 2.240 1.00 0.00 ? 77 GLU A HA 9 ATOM 13388 H HB2 . GLU A 1 77 ? 9.955 -9.290 4.604 1.00 0.00 ? 77 GLU A HB2 9 ATOM 13389 H HB3 . GLU A 1 77 ? 10.260 -7.818 3.693 1.00 0.00 ? 77 GLU A HB3 9 ATOM 13390 H HG2 . GLU A 1 77 ? 8.508 -6.686 4.673 1.00 0.00 ? 77 GLU A HG2 9 ATOM 13391 H HG3 . GLU A 1 77 ? 7.663 -8.168 5.117 1.00 0.00 ? 77 GLU A HG3 9 ATOM 13392 N N . ARG A 1 78 ? 6.474 -9.476 3.727 1.00 0.00 ? 78 ARG A N 9 ATOM 13393 C CA . ARG A 1 78 ? 5.371 -10.292 4.222 1.00 0.00 ? 78 ARG A CA 9 ATOM 13394 C C . ARG A 1 78 ? 4.733 -11.089 3.088 1.00 0.00 ? 78 ARG A C 9 ATOM 13395 O O . ARG A 1 78 ? 3.919 -11.982 3.326 1.00 0.00 ? 78 ARG A O 9 ATOM 13396 C CB . ARG A 1 78 ? 4.319 -9.410 4.896 1.00 0.00 ? 78 ARG A CB 9 ATOM 13397 C CG . ARG A 1 78 ? 4.778 -8.813 6.216 1.00 0.00 ? 78 ARG A CG 9 ATOM 13398 C CD . ARG A 1 78 ? 4.802 -9.858 7.321 1.00 0.00 ? 78 ARG A CD 9 ATOM 13399 N NE . ARG A 1 78 ? 4.606 -9.264 8.640 1.00 0.00 ? 78 ARG A NE 9 ATOM 13400 C CZ . ARG A 1 78 ? 3.477 -8.678 9.022 1.00 0.00 ? 78 ARG A CZ 9 ATOM 13401 N NH1 . ARG A 1 78 ? 2.448 -8.608 8.188 1.00 0.00 ? 78 ARG A NH1 9 ATOM 13402 N NH2 . ARG A 1 78 ? 3.374 -8.160 10.239 1.00 0.00 ? 78 ARG A NH2 9 ATOM 13403 H H . ARG A 1 78 ? 6.352 -8.507 3.644 1.00 0.00 ? 78 ARG A H 9 ATOM 13404 H HA . ARG A 1 78 ? 5.770 -10.981 4.951 1.00 0.00 ? 78 ARG A HA 9 ATOM 13405 H HB2 . ARG A 1 78 ? 4.065 -8.599 4.229 1.00 0.00 ? 78 ARG A HB2 9 ATOM 13406 H HB3 . ARG A 1 78 ? 3.435 -10.002 5.081 1.00 0.00 ? 78 ARG A HB3 9 ATOM 13407 H HG2 . ARG A 1 78 ? 5.774 -8.413 6.093 1.00 0.00 ? 78 ARG A HG2 9 ATOM 13408 H HG3 . ARG A 1 78 ? 4.102 -8.020 6.497 1.00 0.00 ? 78 ARG A HG3 9 ATOM 13409 H HD2 . ARG A 1 78 ? 4.015 -10.574 7.138 1.00 0.00 ? 78 ARG A HD2 9 ATOM 13410 H HD3 . ARG A 1 78 ? 5.757 -10.361 7.301 1.00 0.00 ? 78 ARG A HD3 9 ATOM 13411 H HE . ARG A 1 78 ? 5.353 -9.304 9.272 1.00 0.00 ? 78 ARG A HE 9 ATOM 13412 H HH11 . ARG A 1 78 ? 2.521 -8.998 7.271 1.00 0.00 ? 78 ARG A HH11 9 ATOM 13413 H HH12 . ARG A 1 78 ? 1.598 -8.167 8.478 1.00 0.00 ? 78 ARG A HH12 9 ATOM 13414 H HH21 . ARG A 1 78 ? 4.148 -8.211 10.870 1.00 0.00 ? 78 ARG A HH21 9 ATOM 13415 H HH22 . ARG A 1 78 ? 2.524 -7.719 10.525 1.00 0.00 ? 78 ARG A HH22 9 ATOM 13416 N N . TRP A 1 79 ? 5.106 -10.759 1.857 1.00 0.00 ? 79 TRP A N 9 ATOM 13417 C CA . TRP A 1 79 ? 4.569 -11.444 0.687 1.00 0.00 ? 79 TRP A CA 9 ATOM 13418 C C . TRP A 1 79 ? 5.414 -12.663 0.334 1.00 0.00 ? 79 TRP A C 9 ATOM 13419 O O . TRP A 1 79 ? 4.889 -13.759 0.138 1.00 0.00 ? 79 TRP A O 9 ATOM 13420 C CB . TRP A 1 79 ? 4.509 -10.488 -0.506 1.00 0.00 ? 79 TRP A CB 9 ATOM 13421 C CG . TRP A 1 79 ? 3.780 -11.056 -1.686 1.00 0.00 ? 79 TRP A CG 9 ATOM 13422 C CD1 . TRP A 1 79 ? 2.790 -11.997 -1.663 1.00 0.00 ? 79 TRP A CD1 9 ATOM 13423 C CD2 . TRP A 1 79 ? 3.986 -10.721 -3.063 1.00 0.00 ? 79 TRP A CD2 9 ATOM 13424 N NE1 . TRP A 1 79 ? 2.368 -12.266 -2.943 1.00 0.00 ? 79 TRP A NE1 9 ATOM 13425 C CE2 . TRP A 1 79 ? 3.086 -11.496 -3.819 1.00 0.00 ? 79 TRP A CE2 9 ATOM 13426 C CE3 . TRP A 1 79 ? 4.842 -9.841 -3.730 1.00 0.00 ? 79 TRP A CE3 9 ATOM 13427 C CZ2 . TRP A 1 79 ? 3.020 -11.417 -5.208 1.00 0.00 ? 79 TRP A CZ2 9 ATOM 13428 C CZ3 . TRP A 1 79 ? 4.776 -9.763 -5.108 1.00 0.00 ? 79 TRP A CZ3 9 ATOM 13429 C CH2 . TRP A 1 79 ? 3.870 -10.546 -5.835 1.00 0.00 ? 79 TRP A CH2 9 ATOM 13430 H H . TRP A 1 79 ? 5.759 -10.038 1.732 1.00 0.00 ? 79 TRP A H 9 ATOM 13431 H HA . TRP A 1 79 ? 3.568 -11.771 0.926 1.00 0.00 ? 79 TRP A HA 9 ATOM 13432 H HB2 . TRP A 1 79 ? 4.004 -9.582 -0.207 1.00 0.00 ? 79 TRP A HB2 9 ATOM 13433 H HB3 . TRP A 1 79 ? 5.515 -10.249 -0.817 1.00 0.00 ? 79 TRP A HB3 9 ATOM 13434 H HD1 . TRP A 1 79 ? 2.406 -12.454 -0.764 1.00 0.00 ? 79 TRP A HD1 9 ATOM 13435 H HE1 . TRP A 1 79 ? 1.666 -12.906 -3.187 1.00 0.00 ? 79 TRP A HE1 9 ATOM 13436 H HE3 . TRP A 1 79 ? 5.547 -9.229 -3.187 1.00 0.00 ? 79 TRP A HE3 9 ATOM 13437 H HZ2 . TRP A 1 79 ? 2.327 -12.013 -5.782 1.00 0.00 ? 79 TRP A HZ2 9 ATOM 13438 H HZ3 . TRP A 1 79 ? 5.430 -9.088 -5.640 1.00 0.00 ? 79 TRP A HZ3 9 ATOM 13439 H HH2 . TRP A 1 79 ? 3.853 -10.453 -6.910 1.00 0.00 ? 79 TRP A HH2 9 ATOM 13440 N N . LYS A 1 80 ? 6.726 -12.466 0.255 1.00 0.00 ? 80 LYS A N 9 ATOM 13441 C CA . LYS A 1 80 ? 7.645 -13.550 -0.072 1.00 0.00 ? 80 LYS A CA 9 ATOM 13442 C C . LYS A 1 80 ? 7.319 -14.802 0.736 1.00 0.00 ? 80 LYS A C 9 ATOM 13443 O O . LYS A 1 80 ? 7.179 -15.891 0.180 1.00 0.00 ? 80 LYS A O 9 ATOM 13444 C CB . LYS A 1 80 ? 9.089 -13.119 0.194 1.00 0.00 ? 80 LYS A CB 9 ATOM 13445 C CG . LYS A 1 80 ? 9.446 -11.775 -0.418 1.00 0.00 ? 80 LYS A CG 9 ATOM 13446 C CD . LYS A 1 80 ? 10.924 -11.465 -0.258 1.00 0.00 ? 80 LYS A CD 9 ATOM 13447 C CE . LYS A 1 80 ? 11.183 -9.966 -0.264 1.00 0.00 ? 80 LYS A CE 9 ATOM 13448 N NZ . LYS A 1 80 ? 12.547 -9.640 -0.765 1.00 0.00 ? 80 LYS A NZ 9 ATOM 13449 H H . LYS A 1 80 ? 7.085 -11.569 0.422 1.00 0.00 ? 80 LYS A H 9 ATOM 13450 H HA . LYS A 1 80 ? 7.532 -13.774 -1.122 1.00 0.00 ? 80 LYS A HA 9 ATOM 13451 H HB2 . LYS A 1 80 ? 9.243 -13.058 1.261 1.00 0.00 ? 80 LYS A HB2 9 ATOM 13452 H HB3 . LYS A 1 80 ? 9.755 -13.865 -0.215 1.00 0.00 ? 80 LYS A HB3 9 ATOM 13453 H HG2 . LYS A 1 80 ? 9.204 -11.793 -1.470 1.00 0.00 ? 80 LYS A HG2 9 ATOM 13454 H HG3 . LYS A 1 80 ? 8.870 -11.003 0.073 1.00 0.00 ? 80 LYS A HG3 9 ATOM 13455 H HD2 . LYS A 1 80 ? 11.271 -11.875 0.678 1.00 0.00 ? 80 LYS A HD2 9 ATOM 13456 H HD3 . LYS A 1 80 ? 11.468 -11.918 -1.075 1.00 0.00 ? 80 LYS A HD3 9 ATOM 13457 H HE2 . LYS A 1 80 ? 10.452 -9.490 -0.899 1.00 0.00 ? 80 LYS A HE2 9 ATOM 13458 H HE3 . LYS A 1 80 ? 11.081 -9.593 0.745 1.00 0.00 ? 80 LYS A HE3 9 ATOM 13459 H HZ1 . LYS A 1 80 ? 13.073 -9.105 -0.045 1.00 0.00 ? 80 LYS A HZ1 9 ATOM 13460 H HZ2 . LYS A 1 80 ? 12.483 -9.066 -1.629 1.00 0.00 ? 80 LYS A HZ2 9 ATOM 13461 H HZ3 . LYS A 1 80 ? 13.067 -10.515 -0.980 1.00 0.00 ? 80 LYS A HZ3 9 ATOM 13462 N N . ARG A 1 81 ? 7.199 -14.638 2.049 1.00 0.00 ? 81 ARG A N 9 ATOM 13463 C CA . ARG A 1 81 ? 6.890 -15.756 2.933 1.00 0.00 ? 81 ARG A CA 9 ATOM 13464 C C . ARG A 1 81 ? 5.556 -16.393 2.556 1.00 0.00 ? 81 ARG A C 9 ATOM 13465 O O . ARG A 1 81 ? 5.425 -17.617 2.534 1.00 0.00 ? 81 ARG A O 9 ATOM 13466 C CB . ARG A 1 81 ? 6.851 -15.287 4.388 1.00 0.00 ? 81 ARG A CB 9 ATOM 13467 C CG . ARG A 1 81 ? 8.221 -14.962 4.961 1.00 0.00 ? 81 ARG A CG 9 ATOM 13468 C CD . ARG A 1 81 ? 8.562 -13.490 4.787 1.00 0.00 ? 81 ARG A CD 9 ATOM 13469 N NE . ARG A 1 81 ? 9.833 -13.145 5.418 1.00 0.00 ? 81 ARG A NE 9 ATOM 13470 C CZ . ARG A 1 81 ? 11.018 -13.424 4.885 1.00 0.00 ? 81 ARG A CZ 9 ATOM 13471 N NH1 . ARG A 1 81 ? 11.093 -14.050 3.719 1.00 0.00 ? 81 ARG A NH1 9 ATOM 13472 N NH2 . ARG A 1 81 ? 12.130 -13.078 5.520 1.00 0.00 ? 81 ARG A NH2 9 ATOM 13473 H H . ARG A 1 81 ? 7.322 -13.745 2.433 1.00 0.00 ? 81 ARG A H 9 ATOM 13474 H HA . ARG A 1 81 ? 7.671 -16.493 2.822 1.00 0.00 ? 81 ARG A HA 9 ATOM 13475 H HB2 . ARG A 1 81 ? 6.239 -14.399 4.452 1.00 0.00 ? 81 ARG A HB2 9 ATOM 13476 H HB3 . ARG A 1 81 ? 6.408 -16.064 4.992 1.00 0.00 ? 81 ARG A HB3 9 ATOM 13477 H HG2 . ARG A 1 81 ? 8.226 -15.199 6.014 1.00 0.00 ? 81 ARG A HG2 9 ATOM 13478 H HG3 . ARG A 1 81 ? 8.964 -15.557 4.451 1.00 0.00 ? 81 ARG A HG3 9 ATOM 13479 H HD2 . ARG A 1 81 ? 8.624 -13.270 3.732 1.00 0.00 ? 81 ARG A HD2 9 ATOM 13480 H HD3 . ARG A 1 81 ? 7.777 -12.898 5.233 1.00 0.00 ? 81 ARG A HD3 9 ATOM 13481 H HE . ARG A 1 81 ? 9.801 -12.682 6.281 1.00 0.00 ? 81 ARG A HE 9 ATOM 13482 H HH11 . ARG A 1 81 ? 10.256 -14.311 3.238 1.00 0.00 ? 81 ARG A HH11 9 ATOM 13483 H HH12 . ARG A 1 81 ? 11.986 -14.258 3.319 1.00 0.00 ? 81 ARG A HH12 9 ATOM 13484 H HH21 . ARG A 1 81 ? 12.077 -12.606 6.400 1.00 0.00 ? 81 ARG A HH21 9 ATOM 13485 H HH22 . ARG A 1 81 ? 13.021 -13.289 5.119 1.00 0.00 ? 81 ARG A HH22 9 ATOM 13486 N N . ALA A 1 82 ? 4.567 -15.555 2.262 1.00 0.00 ? 82 ALA A N 9 ATOM 13487 C CA . ALA A 1 82 ? 3.244 -16.036 1.885 1.00 0.00 ? 82 ALA A CA 9 ATOM 13488 C C . ALA A 1 82 ? 3.313 -16.912 0.639 1.00 0.00 ? 82 ALA A C 9 ATOM 13489 O O . ALA A 1 82 ? 2.464 -17.780 0.430 1.00 0.00 ? 82 ALA A O 9 ATOM 13490 C CB . ALA A 1 82 ? 2.301 -14.864 1.658 1.00 0.00 ? 82 ALA A CB 9 ATOM 13491 H H . ALA A 1 82 ? 4.733 -14.590 2.297 1.00 0.00 ? 82 ALA A H 9 ATOM 13492 H HA . ALA A 1 82 ? 2.857 -16.624 2.705 1.00 0.00 ? 82 ALA A HA 9 ATOM 13493 H HB1 . ALA A 1 82 ? 1.818 -14.973 0.698 1.00 0.00 ? 82 ALA A HB1 9 ATOM 13494 H HB2 . ALA A 1 82 ? 1.554 -14.847 2.437 1.00 0.00 ? 82 ALA A HB2 9 ATOM 13495 H HB3 . ALA A 1 82 ? 2.863 -13.942 1.676 1.00 0.00 ? 82 ALA A HB3 9 ATOM 13496 N N . LYS A 1 83 ? 4.327 -16.680 -0.187 1.00 0.00 ? 83 LYS A N 9 ATOM 13497 C CA . LYS A 1 83 ? 4.508 -17.447 -1.413 1.00 0.00 ? 83 LYS A CA 9 ATOM 13498 C C . LYS A 1 83 ? 4.765 -18.918 -1.101 1.00 0.00 ? 83 LYS A C 9 ATOM 13499 O O . LYS A 1 83 ? 4.248 -19.806 -1.780 1.00 0.00 ? 83 LYS A O 9 ATOM 13500 C CB . LYS A 1 83 ? 5.669 -16.877 -2.230 1.00 0.00 ? 83 LYS A CB 9 ATOM 13501 C CG . LYS A 1 83 ? 5.479 -15.424 -2.626 1.00 0.00 ? 83 LYS A CG 9 ATOM 13502 C CD . LYS A 1 83 ? 4.480 -15.282 -3.763 1.00 0.00 ? 83 LYS A CD 9 ATOM 13503 C CE . LYS A 1 83 ? 5.163 -15.371 -5.119 1.00 0.00 ? 83 LYS A CE 9 ATOM 13504 N NZ . LYS A 1 83 ? 5.388 -16.783 -5.535 1.00 0.00 ? 83 LYS A NZ 9 ATOM 13505 H H . LYS A 1 83 ? 4.971 -15.974 0.035 1.00 0.00 ? 83 LYS A H 9 ATOM 13506 H HA . LYS A 1 83 ? 3.599 -17.368 -1.991 1.00 0.00 ? 83 LYS A HA 9 ATOM 13507 H HB2 . LYS A 1 83 ? 6.575 -16.954 -1.647 1.00 0.00 ? 83 LYS A HB2 9 ATOM 13508 H HB3 . LYS A 1 83 ? 5.781 -17.463 -3.131 1.00 0.00 ? 83 LYS A HB3 9 ATOM 13509 H HG2 . LYS A 1 83 ? 5.116 -14.872 -1.772 1.00 0.00 ? 83 LYS A HG2 9 ATOM 13510 H HG3 . LYS A 1 83 ? 6.430 -15.018 -2.942 1.00 0.00 ? 83 LYS A HG3 9 ATOM 13511 H HD2 . LYS A 1 83 ? 3.749 -16.073 -3.689 1.00 0.00 ? 83 LYS A HD2 9 ATOM 13512 H HD3 . LYS A 1 83 ? 3.987 -14.324 -3.680 1.00 0.00 ? 83 LYS A HD3 9 ATOM 13513 H HE2 . LYS A 1 83 ? 4.541 -14.883 -5.853 1.00 0.00 ? 83 LYS A HE2 9 ATOM 13514 H HE3 . LYS A 1 83 ? 6.116 -14.865 -5.061 1.00 0.00 ? 83 LYS A HE3 9 ATOM 13515 H HZ1 . LYS A 1 83 ? 4.781 -17.419 -4.981 1.00 0.00 ? 83 LYS A HZ1 9 ATOM 13516 H HZ2 . LYS A 1 83 ? 6.382 -17.047 -5.379 1.00 0.00 ? 83 LYS A HZ2 9 ATOM 13517 H HZ3 . LYS A 1 83 ? 5.165 -16.898 -6.544 1.00 0.00 ? 83 LYS A HZ3 9 ATOM 13518 N N . ARG A 1 84 ? 5.565 -19.168 -0.070 1.00 0.00 ? 84 ARG A N 9 ATOM 13519 C CA . ARG A 1 84 ? 5.891 -20.532 0.331 1.00 0.00 ? 84 ARG A CA 9 ATOM 13520 C C . ARG A 1 84 ? 4.776 -21.128 1.186 1.00 0.00 ? 84 ARG A C 9 ATOM 13521 O O . ARG A 1 84 ? 4.400 -22.286 1.012 1.00 0.00 ? 84 ARG A O 9 ATOM 13522 C CB . ARG A 1 84 ? 7.210 -20.557 1.105 1.00 0.00 ? 84 ARG A CB 9 ATOM 13523 C CG . ARG A 1 84 ? 7.268 -19.551 2.243 1.00 0.00 ? 84 ARG A CG 9 ATOM 13524 C CD . ARG A 1 84 ? 8.481 -19.783 3.130 1.00 0.00 ? 84 ARG A CD 9 ATOM 13525 N NE . ARG A 1 84 ? 8.316 -19.182 4.451 1.00 0.00 ? 84 ARG A NE 9 ATOM 13526 C CZ . ARG A 1 84 ? 9.036 -19.530 5.512 1.00 0.00 ? 84 ARG A CZ 9 ATOM 13527 N NH1 . ARG A 1 84 ? 9.964 -20.471 5.408 1.00 0.00 ? 84 ARG A NH1 9 ATOM 13528 N NH2 . ARG A 1 84 ? 8.827 -18.936 6.680 1.00 0.00 ? 84 ARG A NH2 9 ATOM 13529 H H . ARG A 1 84 ? 5.947 -18.419 0.432 1.00 0.00 ? 84 ARG A H 9 ATOM 13530 H HA . ARG A 1 84 ? 5.998 -21.125 -0.565 1.00 0.00 ? 84 ARG A HA 9 ATOM 13531 H HB2 . ARG A 1 84 ? 7.352 -21.545 1.520 1.00 0.00 ? 84 ARG A HB2 9 ATOM 13532 H HB3 . ARG A 1 84 ? 8.018 -20.342 0.422 1.00 0.00 ? 84 ARG A HB3 9 ATOM 13533 H HG2 . ARG A 1 84 ? 7.324 -18.556 1.829 1.00 0.00 ? 84 ARG A HG2 9 ATOM 13534 H HG3 . ARG A 1 84 ? 6.373 -19.645 2.840 1.00 0.00 ? 84 ARG A HG3 9 ATOM 13535 H HD2 . ARG A 1 84 ? 8.628 -20.847 3.246 1.00 0.00 ? 84 ARG A HD2 9 ATOM 13536 H HD3 . ARG A 1 84 ? 9.347 -19.350 2.653 1.00 0.00 ? 84 ARG A HD3 9 ATOM 13537 H HE . ARG A 1 84 ? 7.636 -18.484 4.550 1.00 0.00 ? 84 ARG A HE 9 ATOM 13538 H HH11 . ARG A 1 84 ? 10.124 -20.919 4.529 1.00 0.00 ? 84 ARG A HH11 9 ATOM 13539 H HH12 . ARG A 1 84 ? 10.505 -20.730 6.208 1.00 0.00 ? 84 ARG A HH12 9 ATOM 13540 H HH21 . ARG A 1 84 ? 8.129 -18.226 6.762 1.00 0.00 ? 84 ARG A HH21 9 ATOM 13541 H HH22 . ARG A 1 84 ? 9.369 -19.199 7.478 1.00 0.00 ? 84 ARG A HH22 9 ATOM 13542 N N . GLU A 1 85 ? 4.252 -20.327 2.108 1.00 0.00 ? 85 GLU A N 9 ATOM 13543 C CA . GLU A 1 85 ? 3.181 -20.776 2.990 1.00 0.00 ? 85 GLU A CA 9 ATOM 13544 C C . GLU A 1 85 ? 1.966 -21.227 2.185 1.00 0.00 ? 85 GLU A C 9 ATOM 13545 O O . GLU A 1 85 ? 1.403 -22.292 2.436 1.00 0.00 ? 85 GLU A O 9 ATOM 13546 C CB . GLU A 1 85 ? 2.781 -19.657 3.954 1.00 0.00 ? 85 GLU A CB 9 ATOM 13547 C CG . GLU A 1 85 ? 3.914 -19.196 4.855 1.00 0.00 ? 85 GLU A CG 9 ATOM 13548 C CD . GLU A 1 85 ? 4.109 -20.099 6.057 1.00 0.00 ? 85 GLU A CD 9 ATOM 13549 O OE1 . GLU A 1 85 ? 4.857 -21.092 5.938 1.00 0.00 ? 85 GLU A OE1 9 ATOM 13550 O OE2 . GLU A 1 85 ? 3.514 -19.813 7.117 1.00 0.00 ? 85 GLU A OE2 9 ATOM 13551 H H . GLU A 1 85 ? 4.594 -19.413 2.199 1.00 0.00 ? 85 GLU A H 9 ATOM 13552 H HA . GLU A 1 85 ? 3.551 -21.615 3.561 1.00 0.00 ? 85 GLU A HA 9 ATOM 13553 H HB2 . GLU A 1 85 ? 2.436 -18.810 3.380 1.00 0.00 ? 85 GLU A HB2 9 ATOM 13554 H HB3 . GLU A 1 85 ? 1.973 -20.010 4.580 1.00 0.00 ? 85 GLU A HB3 9 ATOM 13555 H HG2 . GLU A 1 85 ? 4.829 -19.182 4.282 1.00 0.00 ? 85 GLU A HG2 9 ATOM 13556 H HG3 . GLU A 1 85 ? 3.695 -18.198 5.205 1.00 0.00 ? 85 GLU A HG3 9 ATOM 13557 N N . GLU A 1 86 ? 1.568 -20.408 1.217 1.00 0.00 ? 86 GLU A N 9 ATOM 13558 C CA . GLU A 1 86 ? 0.419 -20.722 0.376 1.00 0.00 ? 86 GLU A CA 9 ATOM 13559 C C . GLU A 1 86 ? 0.717 -21.913 -0.531 1.00 0.00 ? 86 GLU A C 9 ATOM 13560 O O . GLU A 1 86 ? -0.073 -22.852 -0.620 1.00 0.00 ? 86 GLU A O 9 ATOM 13561 C CB . GLU A 1 86 ? 0.031 -19.507 -0.471 1.00 0.00 ? 86 GLU A CB 9 ATOM 13562 C CG . GLU A 1 86 ? -0.856 -19.850 -1.656 1.00 0.00 ? 86 GLU A CG 9 ATOM 13563 C CD . GLU A 1 86 ? -2.270 -20.208 -1.242 1.00 0.00 ? 86 GLU A CD 9 ATOM 13564 O OE1 . GLU A 1 86 ? -2.515 -21.390 -0.924 1.00 0.00 ? 86 GLU A OE1 9 ATOM 13565 O OE2 . GLU A 1 86 ? -3.132 -19.304 -1.236 1.00 0.00 ? 86 GLU A OE2 9 ATOM 13566 H H . GLU A 1 86 ? 2.057 -19.573 1.065 1.00 0.00 ? 86 GLU A H 9 ATOM 13567 H HA . GLU A 1 86 ? -0.407 -20.976 1.023 1.00 0.00 ? 86 GLU A HA 9 ATOM 13568 H HB2 . GLU A 1 86 ? -0.495 -18.801 0.154 1.00 0.00 ? 86 GLU A HB2 9 ATOM 13569 H HB3 . GLU A 1 86 ? 0.931 -19.043 -0.845 1.00 0.00 ? 86 GLU A HB3 9 ATOM 13570 H HG2 . GLU A 1 86 ? -0.896 -18.997 -2.318 1.00 0.00 ? 86 GLU A HG2 9 ATOM 13571 H HG3 . GLU A 1 86 ? -0.426 -20.691 -2.180 1.00 0.00 ? 86 GLU A HG3 9 ATOM 13572 N N . ARG A 1 87 ? 1.863 -21.865 -1.202 1.00 0.00 ? 87 ARG A N 9 ATOM 13573 C CA . ARG A 1 87 ? 2.266 -22.939 -2.102 1.00 0.00 ? 87 ARG A CA 9 ATOM 13574 C C . ARG A 1 87 ? 2.033 -24.303 -1.461 1.00 0.00 ? 87 ARG A C 9 ATOM 13575 O O . ARG A 1 87 ? 1.516 -25.221 -2.099 1.00 0.00 ? 87 ARG A O 9 ATOM 13576 C CB . ARG A 1 87 ? 3.740 -22.788 -2.483 1.00 0.00 ? 87 ARG A CB 9 ATOM 13577 C CG . ARG A 1 87 ? 3.971 -21.866 -3.670 1.00 0.00 ? 87 ARG A CG 9 ATOM 13578 C CD . ARG A 1 87 ? 3.837 -22.612 -4.989 1.00 0.00 ? 87 ARG A CD 9 ATOM 13579 N NE . ARG A 1 87 ? 4.025 -21.731 -6.138 1.00 0.00 ? 87 ARG A NE 9 ATOM 13580 C CZ . ARG A 1 87 ? 4.279 -22.168 -7.366 1.00 0.00 ? 87 ARG A CZ 9 ATOM 13581 N NH1 . ARG A 1 87 ? 4.373 -23.469 -7.603 1.00 0.00 ? 87 ARG A NH1 9 ATOM 13582 N NH2 . ARG A 1 87 ? 4.438 -21.304 -8.360 1.00 0.00 ? 87 ARG A NH2 9 ATOM 13583 H H . ARG A 1 87 ? 2.452 -21.090 -1.089 1.00 0.00 ? 87 ARG A H 9 ATOM 13584 H HA . ARG A 1 87 ? 1.664 -22.866 -2.995 1.00 0.00 ? 87 ARG A HA 9 ATOM 13585 H HB2 . ARG A 1 87 ? 4.280 -22.389 -1.637 1.00 0.00 ? 87 ARG A HB2 9 ATOM 13586 H HB3 . ARG A 1 87 ? 4.138 -23.761 -2.728 1.00 0.00 ? 87 ARG A HB3 9 ATOM 13587 H HG2 . ARG A 1 87 ? 3.242 -21.070 -3.644 1.00 0.00 ? 87 ARG A HG2 9 ATOM 13588 H HG3 . ARG A 1 87 ? 4.965 -21.449 -3.602 1.00 0.00 ? 87 ARG A HG3 9 ATOM 13589 H HD2 . ARG A 1 87 ? 4.580 -23.395 -5.022 1.00 0.00 ? 87 ARG A HD2 9 ATOM 13590 H HD3 . ARG A 1 87 ? 2.851 -23.050 -5.040 1.00 0.00 ? 87 ARG A HD3 9 ATOM 13591 H HE . ARG A 1 87 ? 3.960 -20.765 -5.985 1.00 0.00 ? 87 ARG A HE 9 ATOM 13592 H HH11 . ARG A 1 87 ? 4.252 -24.123 -6.856 1.00 0.00 ? 87 ARG A HH11 9 ATOM 13593 H HH12 . ARG A 1 87 ? 4.563 -23.797 -8.529 1.00 0.00 ? 87 ARG A HH12 9 ATOM 13594 H HH21 . ARG A 1 87 ? 4.367 -20.322 -8.185 1.00 0.00 ? 87 ARG A HH21 9 ATOM 13595 H HH22 . ARG A 1 87 ? 4.629 -21.634 -9.284 1.00 0.00 ? 87 ARG A HH22 9 ATOM 13596 N N . LEU A 1 88 ? 2.418 -24.430 -0.196 1.00 0.00 ? 88 LEU A N 9 ATOM 13597 C CA . LEU A 1 88 ? 2.251 -25.682 0.533 1.00 0.00 ? 88 LEU A CA 9 ATOM 13598 C C . LEU A 1 88 ? 0.787 -26.110 0.554 1.00 0.00 ? 88 LEU A C 9 ATOM 13599 O O . LEU A 1 88 ? 0.455 -27.242 0.200 1.00 0.00 ? 88 LEU A O 9 ATOM 13600 C CB . LEU A 1 88 ? 2.772 -25.536 1.964 1.00 0.00 ? 88 LEU A CB 9 ATOM 13601 C CG . LEU A 1 88 ? 4.250 -25.861 2.177 1.00 0.00 ? 88 LEU A CG 9 ATOM 13602 C CD1 . LEU A 1 88 ? 5.127 -24.754 1.613 1.00 0.00 ? 88 LEU A CD1 9 ATOM 13603 C CD2 . LEU A 1 88 ? 4.542 -26.074 3.656 1.00 0.00 ? 88 LEU A CD2 9 ATOM 13604 H H . LEU A 1 88 ? 2.823 -23.663 0.260 1.00 0.00 ? 88 LEU A H 9 ATOM 13605 H HA . LEU A 1 88 ? 2.828 -26.441 0.025 1.00 0.00 ? 88 LEU A HA 9 ATOM 13606 H HB2 . LEU A 1 88 ? 2.610 -24.514 2.271 1.00 0.00 ? 88 LEU A HB2 9 ATOM 13607 H HB3 . LEU A 1 88 ? 2.192 -26.195 2.595 1.00 0.00 ? 88 LEU A HB3 9 ATOM 13608 H HG . LEU A 1 88 ? 4.490 -26.776 1.653 1.00 0.00 ? 88 LEU A HG 9 ATOM 13609 H HD11 . LEU A 1 88 ? 6.132 -25.124 1.480 1.00 0.00 ? 88 LEU A HD11 9 ATOM 13610 H HD12 . LEU A 1 88 ? 5.138 -23.919 2.298 1.00 0.00 ? 88 LEU A HD12 9 ATOM 13611 H HD13 . LEU A 1 88 ? 4.732 -24.433 0.660 1.00 0.00 ? 88 LEU A HD13 9 ATOM 13612 H HD21 . LEU A 1 88 ? 4.120 -25.259 4.226 1.00 0.00 ? 88 LEU A HD21 9 ATOM 13613 H HD22 . LEU A 1 88 ? 5.611 -26.105 3.811 1.00 0.00 ? 88 LEU A HD22 9 ATOM 13614 H HD23 . LEU A 1 88 ? 4.103 -27.005 3.979 1.00 0.00 ? 88 LEU A HD23 9 ATOM 13615 N N . LYS A 1 89 ? -0.085 -25.197 0.968 1.00 0.00 ? 89 LYS A N 9 ATOM 13616 C CA . LYS A 1 89 ? -1.514 -25.477 1.032 1.00 0.00 ? 89 LYS A CA 9 ATOM 13617 C C . LYS A 1 89 ? -2.161 -25.320 -0.341 1.00 0.00 ? 89 LYS A C 9 ATOM 13618 O O . LYS A 1 89 ? -3.385 -25.314 -0.463 1.00 0.00 ? 89 LYS A O 9 ATOM 13619 C CB . LYS A 1 89 ? -2.193 -24.545 2.037 1.00 0.00 ? 89 LYS A CB 9 ATOM 13620 C CG . LYS A 1 89 ? -2.332 -23.115 1.543 1.00 0.00 ? 89 LYS A CG 9 ATOM 13621 C CD . LYS A 1 89 ? -3.067 -22.246 2.551 1.00 0.00 ? 89 LYS A CD 9 ATOM 13622 C CE . LYS A 1 89 ? -3.845 -21.134 1.864 1.00 0.00 ? 89 LYS A CE 9 ATOM 13623 N NZ . LYS A 1 89 ? -5.146 -21.618 1.327 1.00 0.00 ? 89 LYS A NZ 9 ATOM 13624 H H . LYS A 1 89 ? 0.242 -24.313 1.237 1.00 0.00 ? 89 LYS A H 9 ATOM 13625 H HA . LYS A 1 89 ? -1.638 -26.498 1.360 1.00 0.00 ? 89 LYS A HA 9 ATOM 13626 H HB2 . LYS A 1 89 ? -3.180 -24.926 2.254 1.00 0.00 ? 89 LYS A HB2 9 ATOM 13627 H HB3 . LYS A 1 89 ? -1.612 -24.534 2.949 1.00 0.00 ? 89 LYS A HB3 9 ATOM 13628 H HG2 . LYS A 1 89 ? -1.348 -22.703 1.379 1.00 0.00 ? 89 LYS A HG2 9 ATOM 13629 H HG3 . LYS A 1 89 ? -2.884 -23.117 0.614 1.00 0.00 ? 89 LYS A HG3 9 ATOM 13630 H HD2 . LYS A 1 89 ? -3.757 -22.861 3.109 1.00 0.00 ? 89 LYS A HD2 9 ATOM 13631 H HD3 . LYS A 1 89 ? -2.346 -21.806 3.226 1.00 0.00 ? 89 LYS A HD3 9 ATOM 13632 H HE2 . LYS A 1 89 ? -4.031 -20.348 2.580 1.00 0.00 ? 89 LYS A HE2 9 ATOM 13633 H HE3 . LYS A 1 89 ? -3.250 -20.746 1.051 1.00 0.00 ? 89 LYS A HE3 9 ATOM 13634 H HZ1 . LYS A 1 89 ? -5.425 -22.498 1.805 1.00 0.00 ? 89 LYS A HZ1 9 ATOM 13635 H HZ2 . LYS A 1 89 ? -5.065 -21.802 0.306 1.00 0.00 ? 89 LYS A HZ2 9 ATOM 13636 H HZ3 . LYS A 1 89 ? -5.885 -20.903 1.481 1.00 0.00 ? 89 LYS A HZ3 9 ATOM 13637 N N . ALA A 1 90 ? -1.330 -25.193 -1.371 1.00 0.00 ? 90 ALA A N 9 ATOM 13638 C CA . ALA A 1 90 ? -1.822 -25.039 -2.734 1.00 0.00 ? 90 ALA A CA 9 ATOM 13639 C C . ALA A 1 90 ? -1.740 -26.356 -3.499 1.00 0.00 ? 90 ALA A C 9 ATOM 13640 O O . ALA A 1 90 ? -0.650 -26.866 -3.763 1.00 0.00 ? 90 ALA A O 9 ATOM 13641 C CB . ALA A 1 90 ? -1.037 -23.956 -3.459 1.00 0.00 ? 90 ALA A CB 9 ATOM 13642 H H . ALA A 1 90 ? -0.364 -25.205 -1.209 1.00 0.00 ? 90 ALA A H 9 ATOM 13643 H HA . ALA A 1 90 ? -2.855 -24.728 -2.683 1.00 0.00 ? 90 ALA A HA 9 ATOM 13644 H HB1 . ALA A 1 90 ? -0.020 -23.945 -3.095 1.00 0.00 ? 90 ALA A HB1 9 ATOM 13645 H HB2 . ALA A 1 90 ? -1.038 -24.159 -4.519 1.00 0.00 ? 90 ALA A HB2 9 ATOM 13646 H HB3 . ALA A 1 90 ? -1.495 -22.996 -3.275 1.00 0.00 ? 90 ALA A HB3 9 ATOM 13647 N N . HIS A 1 91 ? -2.899 -26.903 -3.852 1.00 0.00 ? 91 HIS A N 9 ATOM 13648 C CA . HIS A 1 91 ? -2.958 -28.162 -4.587 1.00 0.00 ? 91 HIS A CA 9 ATOM 13649 C C . HIS A 1 91 ? -2.488 -27.973 -6.026 1.00 0.00 ? 91 HIS A C 9 ATOM 13650 O O . HIS A 1 91 ? -1.619 -28.700 -6.507 1.00 0.00 ? 91 HIS A O 9 ATOM 13651 C CB . HIS A 1 91 ? -4.381 -28.719 -4.572 1.00 0.00 ? 91 HIS A CB 9 ATOM 13652 C CG . HIS A 1 91 ? -4.456 -30.179 -4.899 1.00 0.00 ? 91 HIS A CG 9 ATOM 13653 N ND1 . HIS A 1 91 ? -5.454 -31.006 -4.429 1.00 0.00 ? 91 HIS A ND1 9 ATOM 13654 C CD2 . HIS A 1 91 ? -3.650 -30.959 -5.658 1.00 0.00 ? 91 HIS A CD2 9 ATOM 13655 C CE1 . HIS A 1 91 ? -5.258 -32.231 -4.882 1.00 0.00 ? 91 HIS A CE1 9 ATOM 13656 N NE2 . HIS A 1 91 ? -4.170 -32.229 -5.631 1.00 0.00 ? 91 HIS A NE2 9 ATOM 13657 H H . HIS A 1 91 ? -3.734 -26.450 -3.613 1.00 0.00 ? 91 HIS A H 9 ATOM 13658 H HA . HIS A 1 91 ? -2.300 -28.863 -4.096 1.00 0.00 ? 91 HIS A HA 9 ATOM 13659 H HB2 . HIS A 1 91 ? -4.805 -28.579 -3.588 1.00 0.00 ? 91 HIS A HB2 9 ATOM 13660 H HB3 . HIS A 1 91 ? -4.978 -28.185 -5.296 1.00 0.00 ? 91 HIS A HB3 9 ATOM 13661 H HD1 . HIS A 1 91 ? -6.195 -30.735 -3.848 1.00 0.00 ? 91 HIS A HD1 9 ATOM 13662 H HD2 . HIS A 1 91 ? -2.762 -30.641 -6.186 1.00 0.00 ? 91 HIS A HD2 9 ATOM 13663 H HE1 . HIS A 1 91 ? -5.881 -33.089 -4.676 1.00 0.00 ? 91 HIS A HE1 9 ATOM 13664 H HE2 . HIS A 1 91 ? -3.751 -33.025 -6.019 1.00 0.00 ? 91 HIS A HE2 9 ATOM 13665 N N . SER A 1 92 ? -3.070 -26.992 -6.709 1.00 0.00 ? 92 SER A N 9 ATOM 13666 C CA . SER A 1 92 ? -2.714 -26.710 -8.095 1.00 0.00 ? 92 SER A CA 9 ATOM 13667 C C . SER A 1 92 ? -1.229 -26.965 -8.337 1.00 0.00 ? 92 SER A C 9 ATOM 13668 O O . SER A 1 92 ? -0.851 -27.628 -9.302 1.00 0.00 ? 92 SER A O 9 ATOM 13669 C CB . SER A 1 92 ? -3.059 -25.262 -8.449 1.00 0.00 ? 92 SER A CB 9 ATOM 13670 O OG . SER A 1 92 ? -4.418 -24.977 -8.161 1.00 0.00 ? 92 SER A OG 9 ATOM 13671 H H . SER A 1 92 ? -3.756 -26.446 -6.271 1.00 0.00 ? 92 SER A H 9 ATOM 13672 H HA . SER A 1 92 ? -3.288 -27.373 -8.726 1.00 0.00 ? 92 SER A HA 9 ATOM 13673 H HB2 . SER A 1 92 ? -2.435 -24.595 -7.874 1.00 0.00 ? 92 SER A HB2 9 ATOM 13674 H HB3 . SER A 1 92 ? -2.885 -25.101 -9.503 1.00 0.00 ? 92 SER A HB3 9 ATOM 13675 H HG . SER A 1 92 ? -4.980 -25.421 -8.800 1.00 0.00 ? 92 SER A HG 9 ATOM 13676 N N . GLY A 1 93 ? -0.392 -26.431 -7.453 1.00 0.00 ? 93 GLY A N 9 ATOM 13677 C CA . GLY A 1 93 ? 1.042 -26.610 -7.587 1.00 0.00 ? 93 GLY A CA 9 ATOM 13678 C C . GLY A 1 93 ? 1.551 -27.812 -6.816 1.00 0.00 ? 93 GLY A C 9 ATOM 13679 O O . GLY A 1 93 ? 0.813 -28.456 -6.071 1.00 0.00 ? 93 GLY A O 9 ATOM 13680 H H . GLY A 1 93 ? -0.751 -25.912 -6.703 1.00 0.00 ? 93 GLY A H 9 ATOM 13681 H HA2 . GLY A 1 93 ? 1.281 -26.738 -8.632 1.00 0.00 ? 93 GLY A HA2 9 ATOM 13682 H HA3 . GLY A 1 93 ? 1.540 -25.725 -7.220 1.00 0.00 ? 93 GLY A HA3 9 ATOM 13683 N N . PRO A 1 94 ? 2.842 -28.131 -6.994 1.00 0.00 ? 94 PRO A N 9 ATOM 13684 C CA . PRO A 1 94 ? 3.477 -29.266 -6.319 1.00 0.00 ? 94 PRO A CA 9 ATOM 13685 C C . PRO A 1 94 ? 3.640 -29.032 -4.821 1.00 0.00 ? 94 PRO A C 9 ATOM 13686 O O . PRO A 1 94 ? 4.065 -27.959 -4.393 1.00 0.00 ? 94 PRO A O 9 ATOM 13687 C CB . PRO A 1 94 ? 4.846 -29.362 -6.997 1.00 0.00 ? 94 PRO A CB 9 ATOM 13688 C CG . PRO A 1 94 ? 5.118 -27.985 -7.496 1.00 0.00 ? 94 PRO A CG 9 ATOM 13689 C CD . PRO A 1 94 ? 3.780 -27.407 -7.868 1.00 0.00 ? 94 PRO A CD 9 ATOM 13690 H HA . PRO A 1 94 ? 2.928 -30.182 -6.481 1.00 0.00 ? 94 PRO A HA 9 ATOM 13691 H HB2 . PRO A 1 94 ? 5.587 -29.674 -6.275 1.00 0.00 ? 94 PRO A HB2 9 ATOM 13692 H HB3 . PRO A 1 94 ? 4.801 -30.074 -7.807 1.00 0.00 ? 94 PRO A HB3 9 ATOM 13693 H HG2 . PRO A 1 94 ? 5.578 -27.396 -6.718 1.00 0.00 ? 94 PRO A HG2 9 ATOM 13694 H HG3 . PRO A 1 94 ? 5.760 -28.030 -8.364 1.00 0.00 ? 94 PRO A HG3 9 ATOM 13695 H HD2 . PRO A 1 94 ? 3.757 -26.347 -7.665 1.00 0.00 ? 94 PRO A HD2 9 ATOM 13696 H HD3 . PRO A 1 94 ? 3.563 -27.599 -8.909 1.00 0.00 ? 94 PRO A HD3 9 ATOM 13697 N N . SER A 1 95 ? 3.299 -30.043 -4.028 1.00 0.00 ? 95 SER A N 9 ATOM 13698 C CA . SER A 1 95 ? 3.404 -29.945 -2.577 1.00 0.00 ? 95 SER A CA 9 ATOM 13699 C C . SER A 1 95 ? 4.634 -30.692 -2.070 1.00 0.00 ? 95 SER A C 9 ATOM 13700 O O . SER A 1 95 ? 4.842 -31.862 -2.394 1.00 0.00 ? 95 SER A O 9 ATOM 13701 C CB . SER A 1 95 ? 2.145 -30.506 -1.914 1.00 0.00 ? 95 SER A CB 9 ATOM 13702 O OG . SER A 1 95 ? 1.981 -31.882 -2.211 1.00 0.00 ? 95 SER A OG 9 ATOM 13703 H H . SER A 1 95 ? 2.966 -30.873 -4.429 1.00 0.00 ? 95 SER A H 9 ATOM 13704 H HA . SER A 1 95 ? 3.501 -28.901 -2.321 1.00 0.00 ? 95 SER A HA 9 ATOM 13705 H HB2 . SER A 1 95 ? 2.221 -30.387 -0.844 1.00 0.00 ? 95 SER A HB2 9 ATOM 13706 H HB3 . SER A 1 95 ? 1.281 -29.966 -2.275 1.00 0.00 ? 95 SER A HB3 9 ATOM 13707 H HG . SER A 1 95 ? 2.285 -32.408 -1.468 1.00 0.00 ? 95 SER A HG 9 ATOM 13708 N N . SER A 1 96 ? 5.448 -30.008 -1.272 1.00 0.00 ? 96 SER A N 9 ATOM 13709 C CA . SER A 1 96 ? 6.660 -30.604 -0.723 1.00 0.00 ? 96 SER A CA 9 ATOM 13710 C C . SER A 1 96 ? 6.599 -30.653 0.801 1.00 0.00 ? 96 SER A C 9 ATOM 13711 O O . SER A 1 96 ? 6.317 -29.649 1.455 1.00 0.00 ? 96 SER A O 9 ATOM 13712 C CB . SER A 1 96 ? 7.891 -29.813 -1.170 1.00 0.00 ? 96 SER A CB 9 ATOM 13713 O OG . SER A 1 96 ? 9.085 -30.433 -0.726 1.00 0.00 ? 96 SER A OG 9 ATOM 13714 H H . SER A 1 96 ? 5.228 -29.079 -1.050 1.00 0.00 ? 96 SER A H 9 ATOM 13715 H HA . SER A 1 96 ? 6.734 -31.613 -1.101 1.00 0.00 ? 96 SER A HA 9 ATOM 13716 H HB2 . SER A 1 96 ? 7.907 -29.757 -2.248 1.00 0.00 ? 96 SER A HB2 9 ATOM 13717 H HB3 . SER A 1 96 ? 7.843 -28.815 -0.759 1.00 0.00 ? 96 SER A HB3 9 ATOM 13718 H HG . SER A 1 96 ? 9.441 -29.945 0.019 1.00 0.00 ? 96 SER A HG 9 ATOM 13719 N N . GLY A 1 97 ? 6.865 -31.829 1.360 1.00 0.00 ? 97 GLY A N 9 ATOM 13720 C CA . GLY A 1 97 ? 6.836 -31.989 2.802 1.00 0.00 ? 97 GLY A CA 9 ATOM 13721 C C . GLY A 1 97 ? 7.069 -33.424 3.232 1.00 0.00 ? 97 GLY A C 9 ATOM 13722 O O . GLY A 1 97 ? 6.291 -33.981 4.006 1.00 0.00 ? 97 GLY A O 9 ATOM 13723 H H . GLY A 1 97 ? 7.084 -32.595 0.789 1.00 0.00 ? 97 GLY A H 9 ATOM 13724 H HA2 . GLY A 1 97 ? 7.601 -31.364 3.239 1.00 0.00 ? 97 GLY A HA2 9 ATOM 13725 H HA3 . GLY A 1 97 ? 5.871 -31.668 3.169 1.00 0.00 ? 97 GLY A HA3 9 ATOM 13726 N N . GLY A 1 1 ? 7.328 25.378 14.135 1.00 0.00 ? 1 GLY A N 10 ATOM 13727 C CA . GLY A 1 1 ? 6.515 26.081 13.160 1.00 0.00 ? 1 GLY A CA 10 ATOM 13728 C C . GLY A 1 1 ? 5.164 26.487 13.716 1.00 0.00 ? 1 GLY A C 10 ATOM 13729 O O . GLY A 1 1 ? 4.735 25.981 14.752 1.00 0.00 ? 1 GLY A O 10 ATOM 13730 H H1 . GLY A 1 1 ? 7.236 25.586 15.088 1.00 0.00 ? 1 GLY A H1 10 ATOM 13731 H HA2 . GLY A 1 1 ? 7.042 26.968 12.840 1.00 0.00 ? 1 GLY A HA2 10 ATOM 13732 H HA3 . GLY A 1 1 ? 6.361 25.438 12.306 1.00 0.00 ? 1 GLY A HA3 10 ATOM 13733 N N . SER A 1 2 ? 4.494 27.405 13.027 1.00 0.00 ? 2 SER A N 10 ATOM 13734 C CA . SER A 1 2 ? 3.187 27.883 13.461 1.00 0.00 ? 2 SER A CA 10 ATOM 13735 C C . SER A 1 2 ? 2.087 26.912 13.042 1.00 0.00 ? 2 SER A C 10 ATOM 13736 O O . SER A 1 2 ? 1.793 26.763 11.856 1.00 0.00 ? 2 SER A O 10 ATOM 13737 C CB . SER A 1 2 ? 2.908 29.270 12.878 1.00 0.00 ? 2 SER A CB 10 ATOM 13738 O OG . SER A 1 2 ? 2.903 29.236 11.461 1.00 0.00 ? 2 SER A OG 10 ATOM 13739 H H . SER A 1 2 ? 4.890 27.771 12.208 1.00 0.00 ? 2 SER A H 10 ATOM 13740 H HA . SER A 1 2 ? 3.200 27.951 14.539 1.00 0.00 ? 2 SER A HA 10 ATOM 13741 H HB2 . SER A 1 2 ? 1.944 29.615 13.220 1.00 0.00 ? 2 SER A HB2 10 ATOM 13742 H HB3 . SER A 1 2 ? 3.674 29.957 13.207 1.00 0.00 ? 2 SER A HB3 10 ATOM 13743 H HG . SER A 1 2 ? 2.654 28.358 11.163 1.00 0.00 ? 2 SER A HG 10 ATOM 13744 N N . SER A 1 3 ? 1.482 26.254 14.026 1.00 0.00 ? 3 SER A N 10 ATOM 13745 C CA . SER A 1 3 ? 0.417 25.294 13.761 1.00 0.00 ? 3 SER A CA 10 ATOM 13746 C C . SER A 1 3 ? -0.951 25.966 13.833 1.00 0.00 ? 3 SER A C 10 ATOM 13747 O O . SER A 1 3 ? -1.578 26.012 14.890 1.00 0.00 ? 3 SER A O 10 ATOM 13748 C CB . SER A 1 3 ? 0.482 24.138 14.761 1.00 0.00 ? 3 SER A CB 10 ATOM 13749 O OG . SER A 1 3 ? 1.740 23.487 14.706 1.00 0.00 ? 3 SER A OG 10 ATOM 13750 H H . SER A 1 3 ? 1.761 26.416 14.952 1.00 0.00 ? 3 SER A H 10 ATOM 13751 H HA . SER A 1 3 ? 0.561 24.905 12.764 1.00 0.00 ? 3 SER A HA 10 ATOM 13752 H HB2 . SER A 1 3 ? 0.332 24.520 15.759 1.00 0.00 ? 3 SER A HB2 10 ATOM 13753 H HB3 . SER A 1 3 ? -0.292 23.421 14.530 1.00 0.00 ? 3 SER A HB3 10 ATOM 13754 H HG . SER A 1 3 ? 2.117 23.592 13.830 1.00 0.00 ? 3 SER A HG 10 ATOM 13755 N N . GLY A 1 4 ? -1.407 26.489 12.698 1.00 0.00 ? 4 GLY A N 10 ATOM 13756 C CA . GLY A 1 4 ? -2.697 27.152 12.653 1.00 0.00 ? 4 GLY A CA 10 ATOM 13757 C C . GLY A 1 4 ? -3.695 26.421 11.777 1.00 0.00 ? 4 GLY A C 10 ATOM 13758 O O . GLY A 1 4 ? -3.807 25.197 11.841 1.00 0.00 ? 4 GLY A O 10 ATOM 13759 H H . GLY A 1 4 ? -0.864 26.423 11.885 1.00 0.00 ? 4 GLY A H 10 ATOM 13760 H HA2 . GLY A 1 4 ? -3.093 27.216 13.656 1.00 0.00 ? 4 GLY A HA2 10 ATOM 13761 H HA3 . GLY A 1 4 ? -2.562 28.152 12.267 1.00 0.00 ? 4 GLY A HA3 10 ATOM 13762 N N . SER A 1 5 ? -4.423 27.172 10.958 1.00 0.00 ? 5 SER A N 10 ATOM 13763 C CA . SER A 1 5 ? -5.421 26.588 10.069 1.00 0.00 ? 5 SER A CA 10 ATOM 13764 C C . SER A 1 5 ? -4.878 26.466 8.649 1.00 0.00 ? 5 SER A C 10 ATOM 13765 O O . SER A 1 5 ? -5.165 27.299 7.789 1.00 0.00 ? 5 SER A O 10 ATOM 13766 C CB . SER A 1 5 ? -6.694 27.437 10.070 1.00 0.00 ? 5 SER A CB 10 ATOM 13767 O OG . SER A 1 5 ? -6.409 28.784 9.736 1.00 0.00 ? 5 SER A OG 10 ATOM 13768 H H . SER A 1 5 ? -4.288 28.143 10.953 1.00 0.00 ? 5 SER A H 10 ATOM 13769 H HA . SER A 1 5 ? -5.657 25.601 10.438 1.00 0.00 ? 5 SER A HA 10 ATOM 13770 H HB2 . SER A 1 5 ? -7.389 27.039 9.346 1.00 0.00 ? 5 SER A HB2 10 ATOM 13771 H HB3 . SER A 1 5 ? -7.142 27.409 11.053 1.00 0.00 ? 5 SER A HB3 10 ATOM 13772 H HG . SER A 1 5 ? -5.919 29.195 10.452 1.00 0.00 ? 5 SER A HG 10 ATOM 13773 N N . SER A 1 6 ? -4.093 25.421 8.410 1.00 0.00 ? 6 SER A N 10 ATOM 13774 C CA . SER A 1 6 ? -3.506 25.190 7.095 1.00 0.00 ? 6 SER A CA 10 ATOM 13775 C C . SER A 1 6 ? -3.107 23.727 6.927 1.00 0.00 ? 6 SER A C 10 ATOM 13776 O O . SER A 1 6 ? -3.221 22.930 7.858 1.00 0.00 ? 6 SER A O 10 ATOM 13777 C CB . SER A 1 6 ? -2.284 26.090 6.894 1.00 0.00 ? 6 SER A CB 10 ATOM 13778 O OG . SER A 1 6 ? -2.671 27.394 6.497 1.00 0.00 ? 6 SER A OG 10 ATOM 13779 H H . SER A 1 6 ? -3.901 24.791 9.137 1.00 0.00 ? 6 SER A H 10 ATOM 13780 H HA . SER A 1 6 ? -4.250 25.436 6.352 1.00 0.00 ? 6 SER A HA 10 ATOM 13781 H HB2 . SER A 1 6 ? -1.733 26.157 7.819 1.00 0.00 ? 6 SER A HB2 10 ATOM 13782 H HB3 . SER A 1 6 ? -1.651 25.666 6.127 1.00 0.00 ? 6 SER A HB3 10 ATOM 13783 H HG . SER A 1 6 ? -1.895 27.892 6.232 1.00 0.00 ? 6 SER A HG 10 ATOM 13784 N N . GLY A 1 7 ? -2.639 23.381 5.732 1.00 0.00 ? 7 GLY A N 10 ATOM 13785 C CA . GLY A 1 7 ? -2.230 22.015 5.462 1.00 0.00 ? 7 GLY A CA 10 ATOM 13786 C C . GLY A 1 7 ? -2.533 21.589 4.039 1.00 0.00 ? 7 GLY A C 10 ATOM 13787 O O . GLY A 1 7 ? -3.219 22.300 3.305 1.00 0.00 ? 7 GLY A O 10 ATOM 13788 H H . GLY A 1 7 ? -2.570 24.059 5.028 1.00 0.00 ? 7 GLY A H 10 ATOM 13789 H HA2 . GLY A 1 7 ? -1.168 21.928 5.635 1.00 0.00 ? 7 GLY A HA2 10 ATOM 13790 H HA3 . GLY A 1 7 ? -2.750 21.355 6.141 1.00 0.00 ? 7 GLY A HA3 10 ATOM 13791 N N . MET A 1 8 ? -2.019 20.428 3.649 1.00 0.00 ? 8 MET A N 10 ATOM 13792 C CA . MET A 1 8 ? -2.239 19.909 2.304 1.00 0.00 ? 8 MET A CA 10 ATOM 13793 C C . MET A 1 8 ? -3.343 18.856 2.300 1.00 0.00 ? 8 MET A C 10 ATOM 13794 O O . MET A 1 8 ? -3.273 17.874 1.562 1.00 0.00 ? 8 MET A O 10 ATOM 13795 C CB . MET A 1 8 ? -0.945 19.311 1.747 1.00 0.00 ? 8 MET A CB 10 ATOM 13796 C CG . MET A 1 8 ? 0.023 20.351 1.209 1.00 0.00 ? 8 MET A CG 10 ATOM 13797 S SD . MET A 1 8 ? -0.626 21.227 -0.228 1.00 0.00 ? 8 MET A SD 10 ATOM 13798 C CE . MET A 1 8 ? 0.427 20.580 -1.523 1.00 0.00 ? 8 MET A CE 10 ATOM 13799 H H . MET A 1 8 ? -1.481 19.906 4.280 1.00 0.00 ? 8 MET A H 10 ATOM 13800 H HA . MET A 1 8 ? -2.542 20.734 1.676 1.00 0.00 ? 8 MET A HA 10 ATOM 13801 H HB2 . MET A 1 8 ? -0.449 18.762 2.534 1.00 0.00 ? 8 MET A HB2 10 ATOM 13802 H HB3 . MET A 1 8 ? -1.192 18.632 0.945 1.00 0.00 ? 8 MET A HB3 10 ATOM 13803 H HG2 . MET A 1 8 ? 0.228 21.071 1.988 1.00 0.00 ? 8 MET A HG2 10 ATOM 13804 H HG3 . MET A 1 8 ? 0.941 19.857 0.927 1.00 0.00 ? 8 MET A HG3 10 ATOM 13805 H HE1 . MET A 1 8 ? -0.176 20.061 -2.253 1.00 0.00 ? 8 MET A HE1 10 ATOM 13806 H HE2 . MET A 1 8 ? 0.950 21.394 -2.002 1.00 0.00 ? 8 MET A HE2 10 ATOM 13807 H HE3 . MET A 1 8 ? 1.144 19.893 -1.095 1.00 0.00 ? 8 MET A HE3 10 ATOM 13808 N N . GLU A 1 9 ? -4.359 19.068 3.130 1.00 0.00 ? 9 GLU A N 10 ATOM 13809 C CA . GLU A 1 9 ? -5.477 18.136 3.222 1.00 0.00 ? 9 GLU A CA 10 ATOM 13810 C C . GLU A 1 9 ? -5.986 17.758 1.834 1.00 0.00 ? 9 GLU A C 10 ATOM 13811 O O . GLU A 1 9 ? -6.650 16.737 1.661 1.00 0.00 ? 9 GLU A O 10 ATOM 13812 C CB . GLU A 1 9 ? -6.613 18.746 4.045 1.00 0.00 ? 9 GLU A CB 10 ATOM 13813 C CG . GLU A 1 9 ? -6.257 18.961 5.507 1.00 0.00 ? 9 GLU A CG 10 ATOM 13814 C CD . GLU A 1 9 ? -5.890 17.671 6.214 1.00 0.00 ? 9 GLU A CD 10 ATOM 13815 O OE1 . GLU A 1 9 ? -6.702 16.723 6.177 1.00 0.00 ? 9 GLU A OE1 10 ATOM 13816 O OE2 . GLU A 1 9 ? -4.791 17.609 6.804 1.00 0.00 ? 9 GLU A OE2 10 ATOM 13817 H H . GLU A 1 9 ? -4.358 19.870 3.694 1.00 0.00 ? 9 GLU A H 10 ATOM 13818 H HA . GLU A 1 9 ? -5.124 17.244 3.718 1.00 0.00 ? 9 GLU A HA 10 ATOM 13819 H HB2 . GLU A 1 9 ? -6.880 19.700 3.616 1.00 0.00 ? 9 GLU A HB2 10 ATOM 13820 H HB3 . GLU A 1 9 ? -7.468 18.088 3.998 1.00 0.00 ? 9 GLU A HB3 10 ATOM 13821 H HG2 . GLU A 1 9 ? -5.417 19.637 5.564 1.00 0.00 ? 9 GLU A HG2 10 ATOM 13822 H HG3 . GLU A 1 9 ? -7.106 19.401 6.010 1.00 0.00 ? 9 GLU A HG3 10 ATOM 13823 N N . GLY A 1 10 ? -5.669 18.590 0.847 1.00 0.00 ? 10 GLY A N 10 ATOM 13824 C CA . GLY A 1 10 ? -6.102 18.328 -0.513 1.00 0.00 ? 10 GLY A CA 10 ATOM 13825 C C . GLY A 1 10 ? -5.516 17.047 -1.071 1.00 0.00 ? 10 GLY A C 10 ATOM 13826 O O . GLY A 1 10 ? -6.176 16.009 -1.127 1.00 0.00 ? 10 GLY A O 10 ATOM 13827 H H . GLY A 1 10 ? -5.136 19.389 1.044 1.00 0.00 ? 10 GLY A H 10 ATOM 13828 H HA2 . GLY A 1 10 ? -7.179 18.255 -0.528 1.00 0.00 ? 10 GLY A HA2 10 ATOM 13829 H HA3 . GLY A 1 10 ? -5.798 19.153 -1.141 1.00 0.00 ? 10 GLY A HA3 10 ATOM 13830 N N . PRO A 1 11 ? -4.246 17.110 -1.500 1.00 0.00 ? 11 PRO A N 10 ATOM 13831 C CA . PRO A 1 11 ? -3.543 15.955 -2.066 1.00 0.00 ? 11 PRO A CA 10 ATOM 13832 C C . PRO A 1 11 ? -3.239 14.890 -1.017 1.00 0.00 ? 11 PRO A C 10 ATOM 13833 O O . PRO A 1 11 ? -2.777 13.796 -1.344 1.00 0.00 ? 11 PRO A O 10 ATOM 13834 C CB . PRO A 1 11 ? -2.245 16.559 -2.606 1.00 0.00 ? 11 PRO A CB 10 ATOM 13835 C CG . PRO A 1 11 ? -2.029 17.785 -1.788 1.00 0.00 ? 11 PRO A CG 10 ATOM 13836 C CD . PRO A 1 11 ? -3.399 18.314 -1.465 1.00 0.00 ? 11 PRO A CD 10 ATOM 13837 H HA . PRO A 1 11 ? -4.100 15.510 -2.878 1.00 0.00 ? 11 PRO A HA 10 ATOM 13838 H HB2 . PRO A 1 11 ? -1.436 15.852 -2.481 1.00 0.00 ? 11 PRO A HB2 10 ATOM 13839 H HB3 . PRO A 1 11 ? -2.363 16.798 -3.652 1.00 0.00 ? 11 PRO A HB3 10 ATOM 13840 H HG2 . PRO A 1 11 ? -1.500 17.534 -0.882 1.00 0.00 ? 11 PRO A HG2 10 ATOM 13841 H HG3 . PRO A 1 11 ? -1.472 18.514 -2.359 1.00 0.00 ? 11 PRO A HG3 10 ATOM 13842 H HD2 . PRO A 1 11 ? -3.408 18.763 -0.483 1.00 0.00 ? 11 PRO A HD2 10 ATOM 13843 H HD3 . PRO A 1 11 ? -3.714 19.028 -2.211 1.00 0.00 ? 11 PRO A HD3 10 ATOM 13844 N N . LEU A 1 12 ? -3.501 15.217 0.244 1.00 0.00 ? 12 LEU A N 10 ATOM 13845 C CA . LEU A 1 12 ? -3.256 14.288 1.341 1.00 0.00 ? 12 LEU A CA 10 ATOM 13846 C C . LEU A 1 12 ? -4.352 13.229 1.414 1.00 0.00 ? 12 LEU A C 10 ATOM 13847 O O . LEU A 1 12 ? -4.070 12.039 1.544 1.00 0.00 ? 12 LEU A O 10 ATOM 13848 C CB . LEU A 1 12 ? -3.175 15.045 2.668 1.00 0.00 ? 12 LEU A CB 10 ATOM 13849 C CG . LEU A 1 12 ? -1.807 15.629 3.025 1.00 0.00 ? 12 LEU A CG 10 ATOM 13850 C CD1 . LEU A 1 12 ? -1.919 16.554 4.227 1.00 0.00 ? 12 LEU A CD1 10 ATOM 13851 C CD2 . LEU A 1 12 ? -0.807 14.516 3.298 1.00 0.00 ? 12 LEU A CD2 10 ATOM 13852 H H . LEU A 1 12 ? -3.868 16.103 0.442 1.00 0.00 ? 12 LEU A H 10 ATOM 13853 H HA . LEU A 1 12 ? -2.311 13.799 1.157 1.00 0.00 ? 12 LEU A HA 10 ATOM 13854 H HB2 . LEU A 1 12 ? -3.882 15.860 2.627 1.00 0.00 ? 12 LEU A HB2 10 ATOM 13855 H HB3 . LEU A 1 12 ? -3.460 14.362 3.456 1.00 0.00 ? 12 LEU A HB3 10 ATOM 13856 H HG . LEU A 1 12 ? -1.442 16.211 2.189 1.00 0.00 ? 12 LEU A HG 10 ATOM 13857 H HD11 . LEU A 1 12 ? -2.870 17.064 4.201 1.00 0.00 ? 12 LEU A HD11 10 ATOM 13858 H HD12 . LEU A 1 12 ? -1.120 17.280 4.197 1.00 0.00 ? 12 LEU A HD12 10 ATOM 13859 H HD13 . LEU A 1 12 ? -1.845 15.975 5.135 1.00 0.00 ? 12 LEU A HD13 10 ATOM 13860 H HD21 . LEU A 1 12 ? 0.143 14.769 2.851 1.00 0.00 ? 12 LEU A HD21 10 ATOM 13861 H HD22 . LEU A 1 12 ? -1.171 13.592 2.871 1.00 0.00 ? 12 LEU A HD22 10 ATOM 13862 H HD23 . LEU A 1 12 ? -0.683 14.397 4.364 1.00 0.00 ? 12 LEU A HD23 10 ATOM 13863 N N . ASN A 1 13 ? -5.602 13.671 1.325 1.00 0.00 ? 13 ASN A N 10 ATOM 13864 C CA . ASN A 1 13 ? -6.740 12.761 1.379 1.00 0.00 ? 13 ASN A CA 10 ATOM 13865 C C . ASN A 1 13 ? -6.681 11.748 0.240 1.00 0.00 ? 13 ASN A C 10 ATOM 13866 O O . ASN A 1 13 ? -6.805 10.542 0.459 1.00 0.00 ? 13 ASN A O 10 ATOM 13867 C CB . ASN A 1 13 ? -8.051 13.547 1.310 1.00 0.00 ? 13 ASN A CB 10 ATOM 13868 C CG . ASN A 1 13 ? -9.229 12.753 1.841 1.00 0.00 ? 13 ASN A CG 10 ATOM 13869 O OD1 . ASN A 1 13 ? -9.308 12.461 3.035 1.00 0.00 ? 13 ASN A OD1 10 ATOM 13870 N ND2 . ASN A 1 13 ? -10.152 12.399 0.954 1.00 0.00 ? 13 ASN A ND2 10 ATOM 13871 H H . ASN A 1 13 ? -5.763 14.632 1.222 1.00 0.00 ? 13 ASN A H 10 ATOM 13872 H HA . ASN A 1 13 ? -6.697 12.232 2.319 1.00 0.00 ? 13 ASN A HA 10 ATOM 13873 H HB2 . ASN A 1 13 ? -7.955 14.448 1.898 1.00 0.00 ? 13 ASN A HB2 10 ATOM 13874 H HB3 . ASN A 1 13 ? -8.252 13.811 0.283 1.00 0.00 ? 13 ASN A HB3 10 ATOM 13875 H HD21 . ASN A 1 13 ? -10.023 12.666 0.020 1.00 0.00 ? 13 ASN A HD21 10 ATOM 13876 H HD22 . ASN A 1 13 ? -10.925 11.885 1.270 1.00 0.00 ? 13 ASN A HD22 10 ATOM 13877 N N . LEU A 1 14 ? -6.489 12.245 -0.977 1.00 0.00 ? 14 LEU A N 10 ATOM 13878 C CA . LEU A 1 14 ? -6.412 11.384 -2.152 1.00 0.00 ? 14 LEU A CA 10 ATOM 13879 C C . LEU A 1 14 ? -5.543 10.162 -1.875 1.00 0.00 ? 14 LEU A C 10 ATOM 13880 O O . LEU A 1 14 ? -5.962 9.026 -2.099 1.00 0.00 ? 14 LEU A O 10 ATOM 13881 C CB . LEU A 1 14 ? -5.853 12.163 -3.344 1.00 0.00 ? 14 LEU A CB 10 ATOM 13882 C CG . LEU A 1 14 ? -6.879 12.898 -4.207 1.00 0.00 ? 14 LEU A CG 10 ATOM 13883 C CD1 . LEU A 1 14 ? -6.202 13.976 -5.039 1.00 0.00 ? 14 LEU A CD1 10 ATOM 13884 C CD2 . LEU A 1 14 ? -7.622 11.919 -5.103 1.00 0.00 ? 14 LEU A CD2 10 ATOM 13885 H H . LEU A 1 14 ? -6.397 13.214 -1.089 1.00 0.00 ? 14 LEU A H 10 ATOM 13886 H HA . LEU A 1 14 ? -7.413 11.054 -2.387 1.00 0.00 ? 14 LEU A HA 10 ATOM 13887 H HB2 . LEU A 1 14 ? -5.156 12.894 -2.963 1.00 0.00 ? 14 LEU A HB2 10 ATOM 13888 H HB3 . LEU A 1 14 ? -5.327 11.463 -3.978 1.00 0.00 ? 14 LEU A HB3 10 ATOM 13889 H HG . LEU A 1 14 ? -7.602 13.380 -3.563 1.00 0.00 ? 14 LEU A HG 10 ATOM 13890 H HD11 . LEU A 1 14 ? -5.848 14.763 -4.390 1.00 0.00 ? 14 LEU A HD11 10 ATOM 13891 H HD12 . LEU A 1 14 ? -6.910 14.384 -5.745 1.00 0.00 ? 14 LEU A HD12 10 ATOM 13892 H HD13 . LEU A 1 14 ? -5.367 13.547 -5.574 1.00 0.00 ? 14 LEU A HD13 10 ATOM 13893 H HD21 . LEU A 1 14 ? -8.548 12.366 -5.434 1.00 0.00 ? 14 LEU A HD21 10 ATOM 13894 H HD22 . LEU A 1 14 ? -7.837 11.016 -4.549 1.00 0.00 ? 14 LEU A HD22 10 ATOM 13895 H HD23 . LEU A 1 14 ? -7.011 11.679 -5.960 1.00 0.00 ? 14 LEU A HD23 10 ATOM 13896 N N . ALA A 1 15 ? -4.331 10.402 -1.386 1.00 0.00 ? 15 ALA A N 10 ATOM 13897 C CA . ALA A 1 15 ? -3.405 9.321 -1.074 1.00 0.00 ? 15 ALA A CA 10 ATOM 13898 C C . ALA A 1 15 ? -4.012 8.351 -0.067 1.00 0.00 ? 15 ALA A C 10 ATOM 13899 O O . ALA A 1 15 ? -3.807 7.140 -0.155 1.00 0.00 ? 15 ALA A O 10 ATOM 13900 C CB . ALA A 1 15 ? -2.095 9.885 -0.543 1.00 0.00 ? 15 ALA A CB 10 ATOM 13901 H H . ALA A 1 15 ? -4.055 11.329 -1.229 1.00 0.00 ? 15 ALA A H 10 ATOM 13902 H HA . ALA A 1 15 ? -3.194 8.788 -1.990 1.00 0.00 ? 15 ALA A HA 10 ATOM 13903 H HB1 . ALA A 1 15 ? -1.812 10.747 -1.129 1.00 0.00 ? 15 ALA A HB1 10 ATOM 13904 H HB2 . ALA A 1 15 ? -2.221 10.176 0.489 1.00 0.00 ? 15 ALA A HB2 10 ATOM 13905 H HB3 . ALA A 1 15 ? -1.325 9.132 -0.614 1.00 0.00 ? 15 ALA A HB3 10 ATOM 13906 N N . HIS A 1 16 ? -4.761 8.890 0.890 1.00 0.00 ? 16 HIS A N 10 ATOM 13907 C CA . HIS A 1 16 ? -5.398 8.071 1.915 1.00 0.00 ? 16 HIS A CA 10 ATOM 13908 C C . HIS A 1 16 ? -6.424 7.126 1.295 1.00 0.00 ? 16 HIS A C 10 ATOM 13909 O O . HIS A 1 16 ? -6.451 5.936 1.605 1.00 0.00 ? 16 HIS A O 10 ATOM 13910 C CB . HIS A 1 16 ? -6.072 8.959 2.961 1.00 0.00 ? 16 HIS A CB 10 ATOM 13911 C CG . HIS A 1 16 ? -5.119 9.858 3.687 1.00 0.00 ? 16 HIS A CG 10 ATOM 13912 N ND1 . HIS A 1 16 ? -5.415 10.447 4.899 1.00 0.00 ? 16 HIS A ND1 10 ATOM 13913 C CD2 . HIS A 1 16 ? -3.869 10.266 3.367 1.00 0.00 ? 16 HIS A CD2 10 ATOM 13914 C CE1 . HIS A 1 16 ? -4.389 11.180 5.291 1.00 0.00 ? 16 HIS A CE1 10 ATOM 13915 N NE2 . HIS A 1 16 ? -3.437 11.087 4.380 1.00 0.00 ? 16 HIS A NE2 10 ATOM 13916 H H . HIS A 1 16 ? -4.887 9.861 0.907 1.00 0.00 ? 16 HIS A H 10 ATOM 13917 H HA . HIS A 1 16 ? -4.630 7.483 2.395 1.00 0.00 ? 16 HIS A HA 10 ATOM 13918 H HB2 . HIS A 1 16 ? -6.809 9.581 2.475 1.00 0.00 ? 16 HIS A HB2 10 ATOM 13919 H HB3 . HIS A 1 16 ? -6.563 8.333 3.693 1.00 0.00 ? 16 HIS A HB3 10 ATOM 13920 H HD1 . HIS A 1 16 ? -6.253 10.344 5.396 1.00 0.00 ? 16 HIS A HD1 10 ATOM 13921 H HD2 . HIS A 1 16 ? -3.314 9.997 2.480 1.00 0.00 ? 16 HIS A HD2 10 ATOM 13922 H HE1 . HIS A 1 16 ? -4.336 11.757 6.202 1.00 0.00 ? 16 HIS A HE1 10 ATOM 13923 H HE2 . HIS A 1 16 ? -2.603 11.600 4.381 1.00 0.00 ? 16 HIS A HE2 10 ATOM 13924 N N . GLN A 1 17 ? -7.266 7.667 0.420 1.00 0.00 ? 17 GLN A N 10 ATOM 13925 C CA . GLN A 1 17 ? -8.294 6.872 -0.241 1.00 0.00 ? 17 GLN A CA 10 ATOM 13926 C C . GLN A 1 17 ? -7.722 5.549 -0.740 1.00 0.00 ? 17 GLN A C 10 ATOM 13927 O O . GLN A 1 17 ? -8.427 4.542 -0.804 1.00 0.00 ? 17 GLN A O 10 ATOM 13928 C CB . GLN A 1 17 ? -8.899 7.652 -1.409 1.00 0.00 ? 17 GLN A CB 10 ATOM 13929 C CG . GLN A 1 17 ? -9.852 8.754 -0.976 1.00 0.00 ? 17 GLN A CG 10 ATOM 13930 C CD . GLN A 1 17 ? -10.598 9.372 -2.142 1.00 0.00 ? 17 GLN A CD 10 ATOM 13931 O OE1 . GLN A 1 17 ? -11.525 8.773 -2.688 1.00 0.00 ? 17 GLN A OE1 10 ATOM 13932 N NE2 . GLN A 1 17 ? -10.198 10.578 -2.529 1.00 0.00 ? 17 GLN A NE2 10 ATOM 13933 H H . GLN A 1 17 ? -7.194 8.622 0.215 1.00 0.00 ? 17 GLN A H 10 ATOM 13934 H HA . GLN A 1 17 ? -9.068 6.665 0.482 1.00 0.00 ? 17 GLN A HA 10 ATOM 13935 H HB2 . GLN A 1 17 ? -8.100 8.100 -1.980 1.00 0.00 ? 17 GLN A HB2 10 ATOM 13936 H HB3 . GLN A 1 17 ? -9.442 6.966 -2.042 1.00 0.00 ? 17 GLN A HB3 10 ATOM 13937 H HG2 . GLN A 1 17 ? -10.573 8.339 -0.287 1.00 0.00 ? 17 GLN A HG2 10 ATOM 13938 H HG3 . GLN A 1 17 ? -9.285 9.528 -0.479 1.00 0.00 ? 17 GLN A HG3 10 ATOM 13939 H HE21 . GLN A 1 17 ? -9.453 10.994 -2.047 1.00 0.00 ? 17 GLN A HE21 10 ATOM 13940 H HE22 . GLN A 1 17 ? -10.662 11.000 -3.280 1.00 0.00 ? 17 GLN A HE22 10 ATOM 13941 N N . GLN A 1 18 ? -6.440 5.559 -1.092 1.00 0.00 ? 18 GLN A N 10 ATOM 13942 C CA . GLN A 1 18 ? -5.775 4.359 -1.586 1.00 0.00 ? 18 GLN A CA 10 ATOM 13943 C C . GLN A 1 18 ? -5.138 3.579 -0.441 1.00 0.00 ? 18 GLN A C 10 ATOM 13944 O O . GLN A 1 18 ? -5.423 2.397 -0.248 1.00 0.00 ? 18 GLN A O 10 ATOM 13945 C CB . GLN A 1 18 ? -4.710 4.730 -2.620 1.00 0.00 ? 18 GLN A CB 10 ATOM 13946 C CG . GLN A 1 18 ? -5.287 5.223 -3.937 1.00 0.00 ? 18 GLN A CG 10 ATOM 13947 C CD . GLN A 1 18 ? -5.816 4.095 -4.800 1.00 0.00 ? 18 GLN A CD 10 ATOM 13948 O OE1 . GLN A 1 18 ? -6.929 3.609 -4.594 1.00 0.00 ? 18 GLN A OE1 10 ATOM 13949 N NE2 . GLN A 1 18 ? -5.021 3.671 -5.775 1.00 0.00 ? 18 GLN A NE2 10 ATOM 13950 H H . GLN A 1 18 ? -5.931 6.392 -1.018 1.00 0.00 ? 18 GLN A H 10 ATOM 13951 H HA . GLN A 1 18 ? -6.520 3.737 -2.058 1.00 0.00 ? 18 GLN A HA 10 ATOM 13952 H HB2 . GLN A 1 18 ? -4.085 5.510 -2.211 1.00 0.00 ? 18 GLN A HB2 10 ATOM 13953 H HB3 . GLN A 1 18 ? -4.102 3.861 -2.821 1.00 0.00 ? 18 GLN A HB3 10 ATOM 13954 H HG2 . GLN A 1 18 ? -6.097 5.906 -3.728 1.00 0.00 ? 18 GLN A HG2 10 ATOM 13955 H HG3 . GLN A 1 18 ? -4.512 5.741 -4.483 1.00 0.00 ? 18 GLN A HG3 10 ATOM 13956 H HE21 . GLN A 1 18 ? -4.147 4.104 -5.880 1.00 0.00 ? 18 GLN A HE21 10 ATOM 13957 H HE22 . GLN A 1 18 ? -5.337 2.943 -6.348 1.00 0.00 ? 18 GLN A HE22 10 ATOM 13958 N N . SER A 1 19 ? -4.275 4.248 0.317 1.00 0.00 ? 19 SER A N 10 ATOM 13959 C CA . SER A 1 19 ? -3.595 3.616 1.441 1.00 0.00 ? 19 SER A CA 10 ATOM 13960 C C . SER A 1 19 ? -4.551 2.716 2.218 1.00 0.00 ? 19 SER A C 10 ATOM 13961 O O . SER A 1 19 ? -4.169 1.641 2.683 1.00 0.00 ? 19 SER A O 10 ATOM 13962 C CB . SER A 1 19 ? -3.006 4.678 2.372 1.00 0.00 ? 19 SER A CB 10 ATOM 13963 O OG . SER A 1 19 ? -1.972 4.137 3.175 1.00 0.00 ? 19 SER A OG 10 ATOM 13964 H H . SER A 1 19 ? -4.090 5.189 0.113 1.00 0.00 ? 19 SER A H 10 ATOM 13965 H HA . SER A 1 19 ? -2.792 3.012 1.046 1.00 0.00 ? 19 SER A HA 10 ATOM 13966 H HB2 . SER A 1 19 ? -2.601 5.486 1.781 1.00 0.00 ? 19 SER A HB2 10 ATOM 13967 H HB3 . SER A 1 19 ? -3.785 5.059 3.016 1.00 0.00 ? 19 SER A HB3 10 ATOM 13968 H HG . SER A 1 19 ? -1.204 3.956 2.629 1.00 0.00 ? 19 SER A HG 10 ATOM 13969 N N . ARG A 1 20 ? -5.794 3.163 2.356 1.00 0.00 ? 20 ARG A N 10 ATOM 13970 C CA . ARG A 1 20 ? -6.806 2.400 3.077 1.00 0.00 ? 20 ARG A CA 10 ATOM 13971 C C . ARG A 1 20 ? -7.166 1.125 2.322 1.00 0.00 ? 20 ARG A C 10 ATOM 13972 O O . ARG A 1 20 ? -7.310 0.057 2.919 1.00 0.00 ? 20 ARG A O 10 ATOM 13973 C CB . ARG A 1 20 ? -8.059 3.250 3.292 1.00 0.00 ? 20 ARG A CB 10 ATOM 13974 C CG . ARG A 1 20 ? -8.803 3.574 2.007 1.00 0.00 ? 20 ARG A CG 10 ATOM 13975 C CD . ARG A 1 20 ? -10.000 4.474 2.268 1.00 0.00 ? 20 ARG A CD 10 ATOM 13976 N NE . ARG A 1 20 ? -9.615 5.720 2.926 1.00 0.00 ? 20 ARG A NE 10 ATOM 13977 C CZ . ARG A 1 20 ? -10.456 6.724 3.148 1.00 0.00 ? 20 ARG A CZ 10 ATOM 13978 N NH1 . ARG A 1 20 ? -11.722 6.630 2.767 1.00 0.00 ? 20 ARG A NH1 10 ATOM 13979 N NH2 . ARG A 1 20 ? -10.030 7.825 3.754 1.00 0.00 ? 20 ARG A NH2 10 ATOM 13980 H H . ARG A 1 20 ? -6.038 4.028 1.963 1.00 0.00 ? 20 ARG A H 10 ATOM 13981 H HA . ARG A 1 20 ? -6.395 2.131 4.039 1.00 0.00 ? 20 ARG A HA 10 ATOM 13982 H HB2 . ARG A 1 20 ? -8.733 2.718 3.948 1.00 0.00 ? 20 ARG A HB2 10 ATOM 13983 H HB3 . ARG A 1 20 ? -7.773 4.180 3.761 1.00 0.00 ? 20 ARG A HB3 10 ATOM 13984 H HG2 . ARG A 1 20 ? -8.130 4.076 1.328 1.00 0.00 ? 20 ARG A HG2 10 ATOM 13985 H HG3 . ARG A 1 20 ? -9.147 2.653 1.559 1.00 0.00 ? 20 ARG A HG3 10 ATOM 13986 H HD2 . ARG A 1 20 ? -10.471 4.708 1.324 1.00 0.00 ? 20 ARG A HD2 10 ATOM 13987 H HD3 . ARG A 1 20 ? -10.701 3.946 2.898 1.00 0.00 ? 20 ARG A HD3 10 ATOM 13988 H HE . ARG A 1 20 ? -8.684 5.810 3.216 1.00 0.00 ? 20 ARG A HE 10 ATOM 13989 H HH11 . ARG A 1 20 ? -12.046 5.800 2.312 1.00 0.00 ? 20 ARG A HH11 10 ATOM 13990 H HH12 . ARG A 1 20 ? -12.353 7.387 2.937 1.00 0.00 ? 20 ARG A HH12 10 ATOM 13991 H HH21 . ARG A 1 20 ? -9.076 7.900 4.043 1.00 0.00 ? 20 ARG A HH21 10 ATOM 13992 H HH22 . ARG A 1 20 ? -10.663 8.580 3.920 1.00 0.00 ? 20 ARG A HH22 10 ATOM 13993 N N . ARG A 1 21 ? -7.311 1.243 1.006 1.00 0.00 ? 21 ARG A N 10 ATOM 13994 C CA . ARG A 1 21 ? -7.656 0.100 0.169 1.00 0.00 ? 21 ARG A CA 10 ATOM 13995 C C . ARG A 1 21 ? -6.643 -1.027 0.344 1.00 0.00 ? 21 ARG A C 10 ATOM 13996 O O . ARG A 1 21 ? -7.014 -2.191 0.492 1.00 0.00 ? 21 ARG A O 10 ATOM 13997 C CB . ARG A 1 21 ? -7.722 0.519 -1.301 1.00 0.00 ? 21 ARG A CB 10 ATOM 13998 C CG . ARG A 1 21 ? -7.632 -0.648 -2.271 1.00 0.00 ? 21 ARG A CG 10 ATOM 13999 C CD . ARG A 1 21 ? -8.205 -0.287 -3.632 1.00 0.00 ? 21 ARG A CD 10 ATOM 14000 N NE . ARG A 1 21 ? -8.481 -1.471 -4.441 1.00 0.00 ? 21 ARG A NE 10 ATOM 14001 C CZ . ARG A 1 21 ? -8.683 -1.433 -5.754 1.00 0.00 ? 21 ARG A CZ 10 ATOM 14002 N NH1 . ARG A 1 21 ? -8.640 -0.276 -6.401 1.00 0.00 ? 21 ARG A NH1 10 ATOM 14003 N NH2 . ARG A 1 21 ? -8.928 -2.553 -6.421 1.00 0.00 ? 21 ARG A NH2 10 ATOM 14004 H H . ARG A 1 21 ? -7.184 2.120 0.588 1.00 0.00 ? 21 ARG A H 10 ATOM 14005 H HA . ARG A 1 21 ? -8.628 -0.255 0.477 1.00 0.00 ? 21 ARG A HA 10 ATOM 14006 H HB2 . ARG A 1 21 ? -8.657 1.032 -1.475 1.00 0.00 ? 21 ARG A HB2 10 ATOM 14007 H HB3 . ARG A 1 21 ? -6.906 1.194 -1.507 1.00 0.00 ? 21 ARG A HB3 10 ATOM 14008 H HG2 . ARG A 1 21 ? -6.595 -0.924 -2.391 1.00 0.00 ? 21 ARG A HG2 10 ATOM 14009 H HG3 . ARG A 1 21 ? -8.184 -1.483 -1.867 1.00 0.00 ? 21 ARG A HG3 10 ATOM 14010 H HD2 . ARG A 1 21 ? -9.125 0.260 -3.486 1.00 0.00 ? 21 ARG A HD2 10 ATOM 14011 H HD3 . ARG A 1 21 ? -7.495 0.337 -4.153 1.00 0.00 ? 21 ARG A HD3 10 ATOM 14012 H HE . ARG A 1 21 ? -8.517 -2.336 -3.983 1.00 0.00 ? 21 ARG A HE 10 ATOM 14013 H HH11 . ARG A 1 21 ? -8.455 0.569 -5.901 1.00 0.00 ? 21 ARG A HH11 10 ATOM 14014 H HH12 . ARG A 1 21 ? -8.791 -0.251 -7.390 1.00 0.00 ? 21 ARG A HH12 10 ATOM 14015 H HH21 . ARG A 1 21 ? -8.961 -3.426 -5.936 1.00 0.00 ? 21 ARG A HH21 10 ATOM 14016 H HH22 . ARG A 1 21 ? -9.081 -2.523 -7.408 1.00 0.00 ? 21 ARG A HH22 10 ATOM 14017 N N . ALA A 1 22 ? -5.362 -0.673 0.324 1.00 0.00 ? 22 ALA A N 10 ATOM 14018 C CA . ALA A 1 22 ? -4.295 -1.653 0.481 1.00 0.00 ? 22 ALA A CA 10 ATOM 14019 C C . ALA A 1 22 ? -4.578 -2.590 1.651 1.00 0.00 ? 22 ALA A C 10 ATOM 14020 O O . ALA A 1 22 ? -4.456 -3.808 1.527 1.00 0.00 ? 22 ALA A O 10 ATOM 14021 C CB . ALA A 1 22 ? -2.959 -0.953 0.674 1.00 0.00 ? 22 ALA A CB 10 ATOM 14022 H H . ALA A 1 22 ? -5.129 0.271 0.202 1.00 0.00 ? 22 ALA A H 10 ATOM 14023 H HA . ALA A 1 22 ? -4.241 -2.236 -0.428 1.00 0.00 ? 22 ALA A HA 10 ATOM 14024 H HB1 . ALA A 1 22 ? -3.127 0.042 1.061 1.00 0.00 ? 22 ALA A HB1 10 ATOM 14025 H HB2 . ALA A 1 22 ? -2.356 -1.514 1.373 1.00 0.00 ? 22 ALA A HB2 10 ATOM 14026 H HB3 . ALA A 1 22 ? -2.446 -0.889 -0.274 1.00 0.00 ? 22 ALA A HB3 10 ATOM 14027 N N . ASP A 1 23 ? -4.957 -2.013 2.786 1.00 0.00 ? 23 ASP A N 10 ATOM 14028 C CA . ASP A 1 23 ? -5.258 -2.796 3.978 1.00 0.00 ? 23 ASP A CA 10 ATOM 14029 C C . ASP A 1 23 ? -6.275 -3.890 3.668 1.00 0.00 ? 23 ASP A C 10 ATOM 14030 O O . ASP A 1 23 ? -5.976 -5.079 3.782 1.00 0.00 ? 23 ASP A O 10 ATOM 14031 C CB . ASP A 1 23 ? -5.789 -1.889 5.089 1.00 0.00 ? 23 ASP A CB 10 ATOM 14032 C CG . ASP A 1 23 ? -5.940 -2.618 6.410 1.00 0.00 ? 23 ASP A CG 10 ATOM 14033 O OD1 . ASP A 1 23 ? -6.732 -3.582 6.468 1.00 0.00 ? 23 ASP A OD1 10 ATOM 14034 O OD2 . ASP A 1 23 ? -5.266 -2.226 7.385 1.00 0.00 ? 23 ASP A OD2 10 ATOM 14035 H H . ASP A 1 23 ? -5.037 -1.036 2.822 1.00 0.00 ? 23 ASP A H 10 ATOM 14036 H HA . ASP A 1 23 ? -4.341 -3.258 4.312 1.00 0.00 ? 23 ASP A HA 10 ATOM 14037 H HB2 . ASP A 1 23 ? -5.105 -1.065 5.231 1.00 0.00 ? 23 ASP A HB2 10 ATOM 14038 H HB3 . ASP A 1 23 ? -6.756 -1.504 4.799 1.00 0.00 ? 23 ASP A HB3 10 ATOM 14039 N N . ARG A 1 24 ? -7.476 -3.480 3.276 1.00 0.00 ? 24 ARG A N 10 ATOM 14040 C CA . ARG A 1 24 ? -8.538 -4.425 2.951 1.00 0.00 ? 24 ARG A CA 10 ATOM 14041 C C . ARG A 1 24 ? -8.032 -5.504 1.998 1.00 0.00 ? 24 ARG A C 10 ATOM 14042 O O . ARG A 1 24 ? -8.425 -6.668 2.096 1.00 0.00 ? 24 ARG A O 10 ATOM 14043 C CB . ARG A 1 24 ? -9.727 -3.694 2.326 1.00 0.00 ? 24 ARG A CB 10 ATOM 14044 C CG . ARG A 1 24 ? -10.515 -2.853 3.317 1.00 0.00 ? 24 ARG A CG 10 ATOM 14045 C CD . ARG A 1 24 ? -11.348 -3.723 4.246 1.00 0.00 ? 24 ARG A CD 10 ATOM 14046 N NE . ARG A 1 24 ? -12.400 -4.439 3.529 1.00 0.00 ? 24 ARG A NE 10 ATOM 14047 C CZ . ARG A 1 24 ? -13.585 -3.912 3.244 1.00 0.00 ? 24 ARG A CZ 10 ATOM 14048 N NH1 . ARG A 1 24 ? -13.869 -2.670 3.613 1.00 0.00 ? 24 ARG A NH1 10 ATOM 14049 N NH2 . ARG A 1 24 ? -14.490 -4.627 2.587 1.00 0.00 ? 24 ARG A NH2 10 ATOM 14050 H H . ARG A 1 24 ? -7.654 -2.519 3.204 1.00 0.00 ? 24 ARG A H 10 ATOM 14051 H HA . ARG A 1 24 ? -8.857 -4.894 3.870 1.00 0.00 ? 24 ARG A HA 10 ATOM 14052 H HB2 . ARG A 1 24 ? -9.364 -3.042 1.544 1.00 0.00 ? 24 ARG A HB2 10 ATOM 14053 H HB3 . ARG A 1 24 ? -10.396 -4.423 1.894 1.00 0.00 ? 24 ARG A HB3 10 ATOM 14054 H HG2 . ARG A 1 24 ? -9.825 -2.271 3.910 1.00 0.00 ? 24 ARG A HG2 10 ATOM 14055 H HG3 . ARG A 1 24 ? -11.172 -2.192 2.772 1.00 0.00 ? 24 ARG A HG3 10 ATOM 14056 H HD2 . ARG A 1 24 ? -10.699 -4.441 4.724 1.00 0.00 ? 24 ARG A HD2 10 ATOM 14057 H HD3 . ARG A 1 24 ? -11.802 -3.093 4.996 1.00 0.00 ? 24 ARG A HD3 10 ATOM 14058 H HE . ARG A 1 24 ? -12.212 -5.358 3.246 1.00 0.00 ? 24 ARG A HE 10 ATOM 14059 H HH11 . ARG A 1 24 ? -13.188 -2.129 4.107 1.00 0.00 ? 24 ARG A HH11 10 ATOM 14060 H HH12 . ARG A 1 24 ? -14.762 -2.275 3.396 1.00 0.00 ? 24 ARG A HH12 10 ATOM 14061 H HH21 . ARG A 1 24 ? -14.280 -5.563 2.307 1.00 0.00 ? 24 ARG A HH21 10 ATOM 14062 H HH22 . ARG A 1 24 ? -15.382 -4.229 2.374 1.00 0.00 ? 24 ARG A HH22 10 ATOM 14063 N N . LEU A 1 25 ? -7.161 -5.110 1.076 1.00 0.00 ? 25 LEU A N 10 ATOM 14064 C CA . LEU A 1 25 ? -6.601 -6.044 0.104 1.00 0.00 ? 25 LEU A CA 10 ATOM 14065 C C . LEU A 1 25 ? -5.670 -7.043 0.783 1.00 0.00 ? 25 LEU A C 10 ATOM 14066 O O . LEU A 1 25 ? -5.712 -8.240 0.497 1.00 0.00 ? 25 LEU A O 10 ATOM 14067 C CB . LEU A 1 25 ? -5.845 -5.283 -0.986 1.00 0.00 ? 25 LEU A CB 10 ATOM 14068 C CG . LEU A 1 25 ? -6.696 -4.712 -2.120 1.00 0.00 ? 25 LEU A CG 10 ATOM 14069 C CD1 . LEU A 1 25 ? -5.905 -3.686 -2.917 1.00 0.00 ? 25 LEU A CD1 10 ATOM 14070 C CD2 . LEU A 1 25 ? -7.192 -5.828 -3.028 1.00 0.00 ? 25 LEU A CD2 10 ATOM 14071 H H . LEU A 1 25 ? -6.886 -4.171 1.047 1.00 0.00 ? 25 LEU A H 10 ATOM 14072 H HA . LEU A 1 25 ? -7.421 -6.583 -0.347 1.00 0.00 ? 25 LEU A HA 10 ATOM 14073 H HB2 . LEU A 1 25 ? -5.326 -4.461 -0.516 1.00 0.00 ? 25 LEU A HB2 10 ATOM 14074 H HB3 . LEU A 1 25 ? -5.123 -5.960 -1.421 1.00 0.00 ? 25 LEU A HB3 10 ATOM 14075 H HG . LEU A 1 25 ? -7.559 -4.214 -1.699 1.00 0.00 ? 25 LEU A HG 10 ATOM 14076 H HD11 . LEU A 1 25 ? -5.661 -2.848 -2.283 1.00 0.00 ? 25 LEU A HD11 10 ATOM 14077 H HD12 . LEU A 1 25 ? -6.499 -3.344 -3.753 1.00 0.00 ? 25 LEU A HD12 10 ATOM 14078 H HD13 . LEU A 1 25 ? -4.996 -4.139 -3.284 1.00 0.00 ? 25 LEU A HD13 10 ATOM 14079 H HD21 . LEU A 1 25 ? -8.252 -5.972 -2.874 1.00 0.00 ? 25 LEU A HD21 10 ATOM 14080 H HD22 . LEU A 1 25 ? -6.667 -6.743 -2.794 1.00 0.00 ? 25 LEU A HD22 10 ATOM 14081 H HD23 . LEU A 1 25 ? -7.011 -5.561 -4.059 1.00 0.00 ? 25 LEU A HD23 10 ATOM 14082 N N . LEU A 1 26 ? -4.831 -6.544 1.684 1.00 0.00 ? 26 LEU A N 10 ATOM 14083 C CA . LEU A 1 26 ? -3.890 -7.393 2.406 1.00 0.00 ? 26 LEU A CA 10 ATOM 14084 C C . LEU A 1 26 ? -4.622 -8.499 3.159 1.00 0.00 ? 26 LEU A C 10 ATOM 14085 O O . LEU A 1 26 ? -4.220 -9.662 3.120 1.00 0.00 ? 26 LEU A O 10 ATOM 14086 C CB . LEU A 1 26 ? -3.062 -6.556 3.382 1.00 0.00 ? 26 LEU A CB 10 ATOM 14087 C CG . LEU A 1 26 ? -2.480 -7.305 4.582 1.00 0.00 ? 26 LEU A CG 10 ATOM 14088 C CD1 . LEU A 1 26 ? -1.442 -8.318 4.125 1.00 0.00 ? 26 LEU A CD1 10 ATOM 14089 C CD2 . LEU A 1 26 ? -1.872 -6.327 5.577 1.00 0.00 ? 26 LEU A CD2 10 ATOM 14090 H H . LEU A 1 26 ? -4.843 -5.582 1.869 1.00 0.00 ? 26 LEU A H 10 ATOM 14091 H HA . LEU A 1 26 ? -3.228 -7.845 1.681 1.00 0.00 ? 26 LEU A HA 10 ATOM 14092 H HB2 . LEU A 1 26 ? -2.241 -6.123 2.833 1.00 0.00 ? 26 LEU A HB2 10 ATOM 14093 H HB3 . LEU A 1 26 ? -3.697 -5.767 3.760 1.00 0.00 ? 26 LEU A HB3 10 ATOM 14094 H HG . LEU A 1 26 ? -3.273 -7.843 5.082 1.00 0.00 ? 26 LEU A HG 10 ATOM 14095 H HD11 . LEU A 1 26 ? -0.522 -7.807 3.883 1.00 0.00 ? 26 LEU A HD11 10 ATOM 14096 H HD12 . LEU A 1 26 ? -1.806 -8.838 3.252 1.00 0.00 ? 26 LEU A HD12 10 ATOM 14097 H HD13 . LEU A 1 26 ? -1.261 -9.030 4.918 1.00 0.00 ? 26 LEU A HD13 10 ATOM 14098 H HD21 . LEU A 1 26 ? -1.592 -5.419 5.063 1.00 0.00 ? 26 LEU A HD21 10 ATOM 14099 H HD22 . LEU A 1 26 ? -0.995 -6.770 6.027 1.00 0.00 ? 26 LEU A HD22 10 ATOM 14100 H HD23 . LEU A 1 26 ? -2.595 -6.098 6.345 1.00 0.00 ? 26 LEU A HD23 10 ATOM 14101 N N . ALA A 1 27 ? -5.699 -8.129 3.843 1.00 0.00 ? 27 ALA A N 10 ATOM 14102 C CA . ALA A 1 27 ? -6.490 -9.089 4.602 1.00 0.00 ? 27 ALA A CA 10 ATOM 14103 C C . ALA A 1 27 ? -6.952 -10.242 3.717 1.00 0.00 ? 27 ALA A C 10 ATOM 14104 O O . ALA A 1 27 ? -7.059 -11.381 4.170 1.00 0.00 ? 27 ALA A O 10 ATOM 14105 C CB . ALA A 1 27 ? -7.686 -8.400 5.242 1.00 0.00 ? 27 ALA A CB 10 ATOM 14106 H H . ALA A 1 27 ? -5.970 -7.187 3.836 1.00 0.00 ? 27 ALA A H 10 ATOM 14107 H HA . ALA A 1 27 ? -5.868 -9.483 5.393 1.00 0.00 ? 27 ALA A HA 10 ATOM 14108 H HB1 . ALA A 1 27 ? -8.596 -8.884 4.916 1.00 0.00 ? 27 ALA A HB1 10 ATOM 14109 H HB2 . ALA A 1 27 ? -7.608 -8.467 6.317 1.00 0.00 ? 27 ALA A HB2 10 ATOM 14110 H HB3 . ALA A 1 27 ? -7.704 -7.362 4.946 1.00 0.00 ? 27 ALA A HB3 10 ATOM 14111 N N . ALA A 1 28 ? -7.226 -9.937 2.452 1.00 0.00 ? 28 ALA A N 10 ATOM 14112 C CA . ALA A 1 28 ? -7.675 -10.948 1.503 1.00 0.00 ? 28 ALA A CA 10 ATOM 14113 C C . ALA A 1 28 ? -6.494 -11.582 0.776 1.00 0.00 ? 28 ALA A C 10 ATOM 14114 O O . ALA A 1 28 ? -6.648 -12.139 -0.310 1.00 0.00 ? 28 ALA A O 10 ATOM 14115 C CB . ALA A 1 28 ? -8.647 -10.339 0.504 1.00 0.00 ? 28 ALA A CB 10 ATOM 14116 H H . ALA A 1 28 ? -7.121 -9.011 2.150 1.00 0.00 ? 28 ALA A H 10 ATOM 14117 H HA . ALA A 1 28 ? -8.198 -11.715 2.055 1.00 0.00 ? 28 ALA A HA 10 ATOM 14118 H HB1 . ALA A 1 28 ? -8.093 -9.854 -0.287 1.00 0.00 ? 28 ALA A HB1 10 ATOM 14119 H HB2 . ALA A 1 28 ? -9.267 -11.117 0.085 1.00 0.00 ? 28 ALA A HB2 10 ATOM 14120 H HB3 . ALA A 1 28 ? -9.269 -9.612 1.005 1.00 0.00 ? 28 ALA A HB3 10 ATOM 14121 N N . GLY A 1 29 ? -5.314 -11.492 1.382 1.00 0.00 ? 29 GLY A N 10 ATOM 14122 C CA . GLY A 1 29 ? -4.124 -12.060 0.776 1.00 0.00 ? 29 GLY A CA 10 ATOM 14123 C C . GLY A 1 29 ? -3.812 -11.448 -0.575 1.00 0.00 ? 29 GLY A C 10 ATOM 14124 O O . GLY A 1 29 ? -3.142 -12.063 -1.404 1.00 0.00 ? 29 GLY A O 10 ATOM 14125 H H . GLY A 1 29 ? -5.251 -11.035 2.247 1.00 0.00 ? 29 GLY A H 10 ATOM 14126 H HA2 . GLY A 1 29 ? -3.285 -11.897 1.436 1.00 0.00 ? 29 GLY A HA2 10 ATOM 14127 H HA3 . GLY A 1 29 ? -4.270 -13.123 0.652 1.00 0.00 ? 29 GLY A HA3 10 ATOM 14128 N N . LYS A 1 30 ? -4.299 -10.232 -0.798 1.00 0.00 ? 30 LYS A N 10 ATOM 14129 C CA . LYS A 1 30 ? -4.070 -9.535 -2.059 1.00 0.00 ? 30 LYS A CA 10 ATOM 14130 C C . LYS A 1 30 ? -2.844 -8.633 -1.966 1.00 0.00 ? 30 LYS A C 10 ATOM 14131 O O . LYS A 1 30 ? -2.791 -7.574 -2.592 1.00 0.00 ? 30 LYS A O 10 ATOM 14132 C CB . LYS A 1 30 ? -5.299 -8.706 -2.438 1.00 0.00 ? 30 LYS A CB 10 ATOM 14133 C CG . LYS A 1 30 ? -6.584 -9.514 -2.493 1.00 0.00 ? 30 LYS A CG 10 ATOM 14134 C CD . LYS A 1 30 ? -6.822 -10.090 -3.879 1.00 0.00 ? 30 LYS A CD 10 ATOM 14135 C CE . LYS A 1 30 ? -7.626 -9.136 -4.749 1.00 0.00 ? 30 LYS A CE 10 ATOM 14136 N NZ . LYS A 1 30 ? -7.520 -9.480 -6.194 1.00 0.00 ? 30 LYS A NZ 10 ATOM 14137 H H . LYS A 1 30 ? -4.826 -9.792 -0.098 1.00 0.00 ? 30 LYS A H 10 ATOM 14138 H HA . LYS A 1 30 ? -3.898 -10.278 -2.822 1.00 0.00 ? 30 LYS A HA 10 ATOM 14139 H HB2 . LYS A 1 30 ? -5.425 -7.918 -1.711 1.00 0.00 ? 30 LYS A HB2 10 ATOM 14140 H HB3 . LYS A 1 30 ? -5.134 -8.265 -3.410 1.00 0.00 ? 30 LYS A HB3 10 ATOM 14141 H HG2 . LYS A 1 30 ? -6.519 -10.326 -1.784 1.00 0.00 ? 30 LYS A HG2 10 ATOM 14142 H HG3 . LYS A 1 30 ? -7.414 -8.872 -2.233 1.00 0.00 ? 30 LYS A HG3 10 ATOM 14143 H HD2 . LYS A 1 30 ? -5.868 -10.273 -4.351 1.00 0.00 ? 30 LYS A HD2 10 ATOM 14144 H HD3 . LYS A 1 30 ? -7.363 -11.021 -3.784 1.00 0.00 ? 30 LYS A HD3 10 ATOM 14145 H HE2 . LYS A 1 30 ? -8.662 -9.185 -4.451 1.00 0.00 ? 30 LYS A HE2 10 ATOM 14146 H HE3 . LYS A 1 30 ? -7.255 -8.133 -4.598 1.00 0.00 ? 30 LYS A HE3 10 ATOM 14147 H HZ1 . LYS A 1 30 ? -6.777 -10.194 -6.337 1.00 0.00 ? 30 LYS A HZ1 10 ATOM 14148 H HZ2 . LYS A 1 30 ? -7.281 -8.632 -6.746 1.00 0.00 ? 30 LYS A HZ2 10 ATOM 14149 H HZ3 . LYS A 1 30 ? -8.423 -9.862 -6.537 1.00 0.00 ? 30 LYS A HZ3 10 ATOM 14150 N N . TYR A 1 31 ? -1.860 -9.058 -1.182 1.00 0.00 ? 31 TYR A N 10 ATOM 14151 C CA . TYR A 1 31 ? -0.634 -8.288 -1.006 1.00 0.00 ? 31 TYR A CA 10 ATOM 14152 C C . TYR A 1 31 ? -0.253 -7.569 -2.297 1.00 0.00 ? 31 TYR A C 10 ATOM 14153 O O . TYR A 1 31 ? -0.274 -6.341 -2.365 1.00 0.00 ? 31 TYR A O 10 ATOM 14154 C CB . TYR A 1 31 ? 0.509 -9.202 -0.562 1.00 0.00 ? 31 TYR A CB 10 ATOM 14155 C CG . TYR A 1 31 ? 0.187 -10.021 0.667 1.00 0.00 ? 31 TYR A CG 10 ATOM 14156 C CD1 . TYR A 1 31 ? -0.500 -11.224 0.565 1.00 0.00 ? 31 TYR A CD1 10 ATOM 14157 C CD2 . TYR A 1 31 ? 0.570 -9.591 1.932 1.00 0.00 ? 31 TYR A CD2 10 ATOM 14158 C CE1 . TYR A 1 31 ? -0.797 -11.975 1.686 1.00 0.00 ? 31 TYR A CE1 10 ATOM 14159 C CE2 . TYR A 1 31 ? 0.278 -10.336 3.059 1.00 0.00 ? 31 TYR A CE2 10 ATOM 14160 C CZ . TYR A 1 31 ? -0.406 -11.527 2.930 1.00 0.00 ? 31 TYR A CZ 10 ATOM 14161 O OH . TYR A 1 31 ? -0.698 -12.272 4.049 1.00 0.00 ? 31 TYR A OH 10 ATOM 14162 H H . TYR A 1 31 ? -1.960 -9.910 -0.708 1.00 0.00 ? 31 TYR A H 10 ATOM 14163 H HA . TYR A 1 31 ? -0.813 -7.551 -0.237 1.00 0.00 ? 31 TYR A HA 10 ATOM 14164 H HB2 . TYR A 1 31 ? 0.745 -9.886 -1.362 1.00 0.00 ? 31 TYR A HB2 10 ATOM 14165 H HB3 . TYR A 1 31 ? 1.378 -8.599 -0.342 1.00 0.00 ? 31 TYR A HB3 10 ATOM 14166 H HD1 . TYR A 1 31 ? -0.805 -11.573 -0.411 1.00 0.00 ? 31 TYR A HD1 10 ATOM 14167 H HD2 . TYR A 1 31 ? 1.106 -8.658 2.029 1.00 0.00 ? 31 TYR A HD2 10 ATOM 14168 H HE1 . TYR A 1 31 ? -1.332 -12.908 1.586 1.00 0.00 ? 31 TYR A HE1 10 ATOM 14169 H HE2 . TYR A 1 31 ? 0.584 -9.985 4.033 1.00 0.00 ? 31 TYR A HE2 10 ATOM 14170 H HH . TYR A 1 31 ? 0.086 -12.346 4.599 1.00 0.00 ? 31 TYR A HH 10 ATOM 14171 N N . GLU A 1 32 ? 0.093 -8.345 -3.319 1.00 0.00 ? 32 GLU A N 10 ATOM 14172 C CA . GLU A 1 32 ? 0.479 -7.783 -4.608 1.00 0.00 ? 32 GLU A CA 10 ATOM 14173 C C . GLU A 1 32 ? -0.429 -6.616 -4.986 1.00 0.00 ? 32 GLU A C 10 ATOM 14174 O O . GLU A 1 32 ? 0.044 -5.517 -5.272 1.00 0.00 ? 32 GLU A O 10 ATOM 14175 C CB . GLU A 1 32 ? 0.425 -8.859 -5.695 1.00 0.00 ? 32 GLU A CB 10 ATOM 14176 C CG . GLU A 1 32 ? 1.131 -8.461 -6.980 1.00 0.00 ? 32 GLU A CG 10 ATOM 14177 C CD . GLU A 1 32 ? 0.601 -9.204 -8.191 1.00 0.00 ? 32 GLU A CD 10 ATOM 14178 O OE1 . GLU A 1 32 ? 0.220 -10.384 -8.044 1.00 0.00 ? 32 GLU A OE1 10 ATOM 14179 O OE2 . GLU A 1 32 ? 0.567 -8.605 -9.286 1.00 0.00 ? 32 GLU A OE2 10 ATOM 14180 H H . GLU A 1 32 ? 0.090 -9.318 -3.203 1.00 0.00 ? 32 GLU A H 10 ATOM 14181 H HA . GLU A 1 32 ? 1.493 -7.422 -4.522 1.00 0.00 ? 32 GLU A HA 10 ATOM 14182 H HB2 . GLU A 1 32 ? 0.889 -9.759 -5.318 1.00 0.00 ? 32 GLU A HB2 10 ATOM 14183 H HB3 . GLU A 1 32 ? -0.609 -9.068 -5.927 1.00 0.00 ? 32 GLU A HB3 10 ATOM 14184 H HG2 . GLU A 1 32 ? 0.992 -7.402 -7.139 1.00 0.00 ? 32 GLU A HG2 10 ATOM 14185 H HG3 . GLU A 1 32 ? 2.185 -8.673 -6.879 1.00 0.00 ? 32 GLU A HG3 10 ATOM 14186 N N . GLU A 1 33 ? -1.734 -6.866 -4.986 1.00 0.00 ? 33 GLU A N 10 ATOM 14187 C CA . GLU A 1 33 ? -2.708 -5.837 -5.331 1.00 0.00 ? 33 GLU A CA 10 ATOM 14188 C C . GLU A 1 33 ? -2.428 -4.545 -4.567 1.00 0.00 ? 33 GLU A C 10 ATOM 14189 O O . GLU A 1 33 ? -2.508 -3.452 -5.126 1.00 0.00 ? 33 GLU A O 10 ATOM 14190 C CB . GLU A 1 33 ? -4.127 -6.324 -5.028 1.00 0.00 ? 33 GLU A CB 10 ATOM 14191 C CG . GLU A 1 33 ? -4.547 -7.527 -5.856 1.00 0.00 ? 33 GLU A CG 10 ATOM 14192 C CD . GLU A 1 33 ? -4.410 -7.286 -7.347 1.00 0.00 ? 33 GLU A CD 10 ATOM 14193 O OE1 . GLU A 1 33 ? -4.575 -6.125 -7.777 1.00 0.00 ? 33 GLU A OE1 10 ATOM 14194 O OE2 . GLU A 1 33 ? -4.139 -8.257 -8.083 1.00 0.00 ? 33 GLU A OE2 10 ATOM 14195 H H . GLU A 1 33 ? -2.050 -7.763 -4.750 1.00 0.00 ? 33 GLU A H 10 ATOM 14196 H HA . GLU A 1 33 ? -2.623 -5.641 -6.389 1.00 0.00 ? 33 GLU A HA 10 ATOM 14197 H HB2 . GLU A 1 33 ? -4.188 -6.592 -3.984 1.00 0.00 ? 33 GLU A HB2 10 ATOM 14198 H HB3 . GLU A 1 33 ? -4.820 -5.519 -5.224 1.00 0.00 ? 33 GLU A HB3 10 ATOM 14199 H HG2 . GLU A 1 33 ? -3.928 -8.368 -5.585 1.00 0.00 ? 33 GLU A HG2 10 ATOM 14200 H HG3 . GLU A 1 33 ? -5.580 -7.756 -5.636 1.00 0.00 ? 33 GLU A HG3 10 ATOM 14201 N N . ALA A 1 34 ? -2.100 -4.681 -3.287 1.00 0.00 ? 34 ALA A N 10 ATOM 14202 C CA . ALA A 1 34 ? -1.807 -3.527 -2.446 1.00 0.00 ? 34 ALA A CA 10 ATOM 14203 C C . ALA A 1 34 ? -0.450 -2.926 -2.794 1.00 0.00 ? 34 ALA A C 10 ATOM 14204 O O . ALA A 1 34 ? -0.261 -1.711 -2.720 1.00 0.00 ? 34 ALA A O 10 ATOM 14205 C CB . ALA A 1 34 ? -1.852 -3.919 -0.977 1.00 0.00 ? 34 ALA A CB 10 ATOM 14206 H H . ALA A 1 34 ? -2.053 -5.580 -2.898 1.00 0.00 ? 34 ALA A H 10 ATOM 14207 H HA . ALA A 1 34 ? -2.573 -2.785 -2.619 1.00 0.00 ? 34 ALA A HA 10 ATOM 14208 H HB1 . ALA A 1 34 ? -2.421 -3.183 -0.427 1.00 0.00 ? 34 ALA A HB1 10 ATOM 14209 H HB2 . ALA A 1 34 ? -2.321 -4.886 -0.877 1.00 0.00 ? 34 ALA A HB2 10 ATOM 14210 H HB3 . ALA A 1 34 ? -0.847 -3.963 -0.586 1.00 0.00 ? 34 ALA A HB3 10 ATOM 14211 N N . ILE A 1 35 ? 0.492 -3.783 -3.173 1.00 0.00 ? 35 ILE A N 10 ATOM 14212 C CA . ILE A 1 35 ? 1.832 -3.335 -3.532 1.00 0.00 ? 35 ILE A CA 10 ATOM 14213 C C . ILE A 1 35 ? 1.780 -2.239 -4.591 1.00 0.00 ? 35 ILE A C 10 ATOM 14214 O O . ILE A 1 35 ? 2.355 -1.165 -4.417 1.00 0.00 ? 35 ILE A O 10 ATOM 14215 C CB . ILE A 1 35 ? 2.693 -4.499 -4.056 1.00 0.00 ? 35 ILE A CB 10 ATOM 14216 C CG1 . ILE A 1 35 ? 2.935 -5.523 -2.945 1.00 0.00 ? 35 ILE A CG1 10 ATOM 14217 C CG2 . ILE A 1 35 ? 4.015 -3.977 -4.600 1.00 0.00 ? 35 ILE A CG2 10 ATOM 14218 C CD1 . ILE A 1 35 ? 3.625 -6.781 -3.424 1.00 0.00 ? 35 ILE A CD1 10 ATOM 14219 H H . ILE A 1 35 ? 0.281 -4.738 -3.212 1.00 0.00 ? 35 ILE A H 10 ATOM 14220 H HA . ILE A 1 35 ? 2.301 -2.939 -2.642 1.00 0.00 ? 35 ILE A HA 10 ATOM 14221 H HB . ILE A 1 35 ? 2.162 -4.975 -4.865 1.00 0.00 ? 35 ILE A HB 10 ATOM 14222 H HG12 . ILE A 1 35 ? 3.552 -5.077 -2.181 1.00 0.00 ? 35 ILE A HG12 10 ATOM 14223 H HG13 . ILE A 1 35 ? 1.986 -5.808 -2.515 1.00 0.00 ? 35 ILE A HG13 10 ATOM 14224 H HG21 . ILE A 1 35 ? 4.040 -2.901 -4.513 1.00 0.00 ? 35 ILE A HG21 10 ATOM 14225 H HG22 . ILE A 1 35 ? 4.830 -4.402 -4.033 1.00 0.00 ? 35 ILE A HG22 10 ATOM 14226 H HG23 . ILE A 1 35 ? 4.113 -4.257 -5.638 1.00 0.00 ? 35 ILE A HG23 10 ATOM 14227 H HD11 . ILE A 1 35 ? 3.673 -6.779 -4.503 1.00 0.00 ? 35 ILE A HD11 10 ATOM 14228 H HD12 . ILE A 1 35 ? 4.625 -6.821 -3.018 1.00 0.00 ? 35 ILE A HD12 10 ATOM 14229 H HD13 . ILE A 1 35 ? 3.069 -7.646 -3.091 1.00 0.00 ? 35 ILE A HD13 10 ATOM 14230 N N . SER A 1 36 ? 1.084 -2.518 -5.689 1.00 0.00 ? 36 SER A N 10 ATOM 14231 C CA . SER A 1 36 ? 0.958 -1.557 -6.779 1.00 0.00 ? 36 SER A CA 10 ATOM 14232 C C . SER A 1 36 ? 0.067 -0.387 -6.370 1.00 0.00 ? 36 SER A C 10 ATOM 14233 O O . SER A 1 36 ? 0.172 0.709 -6.922 1.00 0.00 ? 36 SER A O 10 ATOM 14234 C CB . SER A 1 36 ? 0.387 -2.237 -8.024 1.00 0.00 ? 36 SER A CB 10 ATOM 14235 O OG . SER A 1 36 ? -0.600 -3.193 -7.675 1.00 0.00 ? 36 SER A OG 10 ATOM 14236 H H . SER A 1 36 ? 0.648 -3.392 -5.769 1.00 0.00 ? 36 SER A H 10 ATOM 14237 H HA . SER A 1 36 ? 1.945 -1.181 -7.005 1.00 0.00 ? 36 SER A HA 10 ATOM 14238 H HB2 . SER A 1 36 ? -0.061 -1.493 -8.664 1.00 0.00 ? 36 SER A HB2 10 ATOM 14239 H HB3 . SER A 1 36 ? 1.184 -2.738 -8.555 1.00 0.00 ? 36 SER A HB3 10 ATOM 14240 H HG . SER A 1 36 ? -1.034 -2.923 -6.862 1.00 0.00 ? 36 SER A HG 10 ATOM 14241 N N . CYS A 1 37 ? -0.808 -0.629 -5.401 1.00 0.00 ? 37 CYS A N 10 ATOM 14242 C CA . CYS A 1 37 ? -1.719 0.403 -4.918 1.00 0.00 ? 37 CYS A CA 10 ATOM 14243 C C . CYS A 1 37 ? -0.957 1.495 -4.173 1.00 0.00 ? 37 CYS A C 10 ATOM 14244 O O . CYS A 1 37 ? -1.296 2.676 -4.265 1.00 0.00 ? 37 CYS A O 10 ATOM 14245 C CB . CYS A 1 37 ? -2.779 -0.210 -4.003 1.00 0.00 ? 37 CYS A CB 10 ATOM 14246 S SG . CYS A 1 37 ? -4.076 -1.115 -4.880 1.00 0.00 ? 37 CYS A SG 10 ATOM 14247 H H . CYS A 1 37 ? -0.844 -1.522 -5.000 1.00 0.00 ? 37 CYS A H 10 ATOM 14248 H HA . CYS A 1 37 ? -2.205 0.842 -5.776 1.00 0.00 ? 37 CYS A HA 10 ATOM 14249 H HB2 . CYS A 1 37 ? -2.302 -0.900 -3.323 1.00 0.00 ? 37 CYS A HB2 10 ATOM 14250 H HB3 . CYS A 1 37 ? -3.252 0.577 -3.435 1.00 0.00 ? 37 CYS A HB3 10 ATOM 14251 H HG . CYS A 1 37 ? -4.771 -1.801 -3.985 1.00 0.00 ? 37 CYS A HG 10 ATOM 14252 N N . HIS A 1 38 ? 0.072 1.093 -3.435 1.00 0.00 ? 38 HIS A N 10 ATOM 14253 C CA . HIS A 1 38 ? 0.882 2.037 -2.673 1.00 0.00 ? 38 HIS A CA 10 ATOM 14254 C C . HIS A 1 38 ? 1.849 2.785 -3.586 1.00 0.00 ? 38 HIS A C 10 ATOM 14255 O O . HIS A 1 38 ? 2.235 3.918 -3.301 1.00 0.00 ? 38 HIS A O 10 ATOM 14256 C CB . HIS A 1 38 ? 1.658 1.307 -1.577 1.00 0.00 ? 38 HIS A CB 10 ATOM 14257 C CG . HIS A 1 38 ? 0.848 1.037 -0.347 1.00 0.00 ? 38 HIS A CG 10 ATOM 14258 N ND1 . HIS A 1 38 ? 0.141 2.016 0.319 1.00 0.00 ? 38 HIS A ND1 10 ATOM 14259 C CD2 . HIS A 1 38 ? 0.632 -0.112 0.337 1.00 0.00 ? 38 HIS A CD2 10 ATOM 14260 C CE1 . HIS A 1 38 ? -0.472 1.482 1.360 1.00 0.00 ? 38 HIS A CE1 10 ATOM 14261 N NE2 . HIS A 1 38 ? -0.191 0.192 1.393 1.00 0.00 ? 38 HIS A NE2 10 ATOM 14262 H H . HIS A 1 38 ? 0.293 0.139 -3.402 1.00 0.00 ? 38 HIS A H 10 ATOM 14263 H HA . HIS A 1 38 ? 0.215 2.751 -2.214 1.00 0.00 ? 38 HIS A HA 10 ATOM 14264 H HB2 . HIS A 1 38 ? 2.004 0.359 -1.961 1.00 0.00 ? 38 HIS A HB2 10 ATOM 14265 H HB3 . HIS A 1 38 ? 2.511 1.906 -1.288 1.00 0.00 ? 38 HIS A HB3 10 ATOM 14266 H HD1 . HIS A 1 38 ? 0.097 2.961 0.067 1.00 0.00 ? 38 HIS A HD1 10 ATOM 14267 H HD2 . HIS A 1 38 ? 1.034 -1.086 0.097 1.00 0.00 ? 38 HIS A HD2 10 ATOM 14268 H HE1 . HIS A 1 38 ? -1.098 2.009 2.065 1.00 0.00 ? 38 HIS A HE1 10 ATOM 14269 H HE2 . HIS A 1 38 ? -0.448 -0.423 2.111 1.00 0.00 ? 38 HIS A HE2 10 ATOM 14270 N N . ARG A 1 39 ? 2.235 2.142 -4.683 1.00 0.00 ? 39 ARG A N 10 ATOM 14271 C CA . ARG A 1 39 ? 3.158 2.746 -5.637 1.00 0.00 ? 39 ARG A CA 10 ATOM 14272 C C . ARG A 1 39 ? 2.522 3.952 -6.320 1.00 0.00 ? 39 ARG A C 10 ATOM 14273 O O . ARG A 1 39 ? 3.181 4.965 -6.558 1.00 0.00 ? 39 ARG A O 10 ATOM 14274 C CB . ARG A 1 39 ? 3.586 1.718 -6.686 1.00 0.00 ? 39 ARG A CB 10 ATOM 14275 C CG . ARG A 1 39 ? 4.444 0.596 -6.125 1.00 0.00 ? 39 ARG A CG 10 ATOM 14276 C CD . ARG A 1 39 ? 4.731 -0.465 -7.176 1.00 0.00 ? 39 ARG A CD 10 ATOM 14277 N NE . ARG A 1 39 ? 5.922 -0.151 -7.961 1.00 0.00 ? 39 ARG A NE 10 ATOM 14278 C CZ . ARG A 1 39 ? 6.195 -0.706 -9.136 1.00 0.00 ? 39 ARG A CZ 10 ATOM 14279 N NH1 . ARG A 1 39 ? 5.366 -1.598 -9.660 1.00 0.00 ? 39 ARG A NH1 10 ATOM 14280 N NH2 . ARG A 1 39 ? 7.299 -0.369 -9.790 1.00 0.00 ? 39 ARG A NH2 10 ATOM 14281 H H . ARG A 1 39 ? 1.892 1.240 -4.855 1.00 0.00 ? 39 ARG A H 10 ATOM 14282 H HA . ARG A 1 39 ? 4.031 3.074 -5.092 1.00 0.00 ? 39 ARG A HA 10 ATOM 14283 H HB2 . ARG A 1 39 ? 2.701 1.279 -7.124 1.00 0.00 ? 39 ARG A HB2 10 ATOM 14284 H HB3 . ARG A 1 39 ? 4.148 2.221 -7.457 1.00 0.00 ? 39 ARG A HB3 10 ATOM 14285 H HG2 . ARG A 1 39 ? 5.382 1.009 -5.783 1.00 0.00 ? 39 ARG A HG2 10 ATOM 14286 H HG3 . ARG A 1 39 ? 3.926 0.139 -5.296 1.00 0.00 ? 39 ARG A HG3 10 ATOM 14287 H HD2 . ARG A 1 39 ? 4.877 -1.413 -6.681 1.00 0.00 ? 39 ARG A HD2 10 ATOM 14288 H HD3 . ARG A 1 39 ? 3.881 -0.533 -7.840 1.00 0.00 ? 39 ARG A HD3 10 ATOM 14289 H HE . ARG A 1 39 ? 6.548 0.506 -7.592 1.00 0.00 ? 39 ARG A HE 10 ATOM 14290 H HH11 . ARG A 1 39 ? 4.533 -1.854 -9.170 1.00 0.00 ? 39 ARG A HH11 10 ATOM 14291 H HH12 . ARG A 1 39 ? 5.574 -2.014 -10.546 1.00 0.00 ? 39 ARG A HH12 10 ATOM 14292 H HH21 . ARG A 1 39 ? 7.927 0.303 -9.398 1.00 0.00 ? 39 ARG A HH21 10 ATOM 14293 H HH22 . ARG A 1 39 ? 7.504 -0.787 -10.674 1.00 0.00 ? 39 ARG A HH22 10 ATOM 14294 N N . LYS A 1 40 ? 1.236 3.837 -6.636 1.00 0.00 ? 40 LYS A N 10 ATOM 14295 C CA . LYS A 1 40 ? 0.509 4.917 -7.292 1.00 0.00 ? 40 LYS A CA 10 ATOM 14296 C C . LYS A 1 40 ? 0.435 6.147 -6.393 1.00 0.00 ? 40 LYS A C 10 ATOM 14297 O O . LYS A 1 40 ? 0.769 7.255 -6.813 1.00 0.00 ? 40 LYS A O 10 ATOM 14298 C CB . LYS A 1 40 ? -0.903 4.457 -7.662 1.00 0.00 ? 40 LYS A CB 10 ATOM 14299 C CG . LYS A 1 40 ? -0.948 3.557 -8.885 1.00 0.00 ? 40 LYS A CG 10 ATOM 14300 C CD . LYS A 1 40 ? -2.106 2.576 -8.812 1.00 0.00 ? 40 LYS A CD 10 ATOM 14301 C CE . LYS A 1 40 ? -2.216 1.748 -10.083 1.00 0.00 ? 40 LYS A CE 10 ATOM 14302 N NZ . LYS A 1 40 ? -3.619 1.329 -10.354 1.00 0.00 ? 40 LYS A NZ 10 ATOM 14303 H H . LYS A 1 40 ? 0.764 3.004 -6.421 1.00 0.00 ? 40 LYS A H 10 ATOM 14304 H HA . LYS A 1 40 ? 1.042 5.176 -8.194 1.00 0.00 ? 40 LYS A HA 10 ATOM 14305 H HB2 . LYS A 1 40 ? -1.324 3.917 -6.827 1.00 0.00 ? 40 LYS A HB2 10 ATOM 14306 H HB3 . LYS A 1 40 ? -1.512 5.328 -7.860 1.00 0.00 ? 40 LYS A HB3 10 ATOM 14307 H HG2 . LYS A 1 40 ? -1.064 4.168 -9.767 1.00 0.00 ? 40 LYS A HG2 10 ATOM 14308 H HG3 . LYS A 1 40 ? -0.022 3.003 -8.947 1.00 0.00 ? 40 LYS A HG3 10 ATOM 14309 H HD2 . LYS A 1 40 ? -1.952 1.911 -7.975 1.00 0.00 ? 40 LYS A HD2 10 ATOM 14310 H HD3 . LYS A 1 40 ? -3.025 3.127 -8.672 1.00 0.00 ? 40 LYS A HD3 10 ATOM 14311 H HE2 . LYS A 1 40 ? -1.859 2.337 -10.913 1.00 0.00 ? 40 LYS A HE2 10 ATOM 14312 H HE3 . LYS A 1 40 ? -1.600 0.866 -9.977 1.00 0.00 ? 40 LYS A HE3 10 ATOM 14313 H HZ1 . LYS A 1 40 ? -4.233 1.607 -9.561 1.00 0.00 ? 40 LYS A HZ1 10 ATOM 14314 H HZ2 . LYS A 1 40 ? -3.668 0.297 -10.470 1.00 0.00 ? 40 LYS A HZ2 10 ATOM 14315 H HZ3 . LYS A 1 40 ? -3.966 1.783 -11.222 1.00 0.00 ? 40 LYS A HZ3 10 ATOM 14316 N N . ALA A 1 41 ? -0.004 5.945 -5.155 1.00 0.00 ? 41 ALA A N 10 ATOM 14317 C CA . ALA A 1 41 ? -0.118 7.037 -4.197 1.00 0.00 ? 41 ALA A CA 10 ATOM 14318 C C . ALA A 1 41 ? 1.208 7.774 -4.044 1.00 0.00 ? 41 ALA A C 10 ATOM 14319 O O . ALA A 1 41 ? 1.285 8.986 -4.248 1.00 0.00 ? 41 ALA A O 10 ATOM 14320 C CB . ALA A 1 41 ? -0.590 6.510 -2.850 1.00 0.00 ? 41 ALA A CB 10 ATOM 14321 H H . ALA A 1 41 ? -0.255 5.039 -4.879 1.00 0.00 ? 41 ALA A H 10 ATOM 14322 H HA . ALA A 1 41 ? -0.862 7.729 -4.566 1.00 0.00 ? 41 ALA A HA 10 ATOM 14323 H HB1 . ALA A 1 41 ? -0.563 5.430 -2.857 1.00 0.00 ? 41 ALA A HB1 10 ATOM 14324 H HB2 . ALA A 1 41 ? 0.059 6.881 -2.071 1.00 0.00 ? 41 ALA A HB2 10 ATOM 14325 H HB3 . ALA A 1 41 ? -1.600 6.844 -2.667 1.00 0.00 ? 41 ALA A HB3 10 ATOM 14326 N N . THR A 1 42 ? 2.252 7.034 -3.681 1.00 0.00 ? 42 THR A N 10 ATOM 14327 C CA . THR A 1 42 ? 3.575 7.618 -3.499 1.00 0.00 ? 42 THR A CA 10 ATOM 14328 C C . THR A 1 42 ? 3.937 8.535 -4.661 1.00 0.00 ? 42 THR A C 10 ATOM 14329 O O . THR A 1 42 ? 4.194 9.725 -4.471 1.00 0.00 ? 42 THR A O 10 ATOM 14330 C CB . THR A 1 42 ? 4.656 6.528 -3.364 1.00 0.00 ? 42 THR A CB 10 ATOM 14331 O OG1 . THR A 1 42 ? 4.462 5.520 -4.362 1.00 0.00 ? 42 THR A OG1 10 ATOM 14332 C CG2 . THR A 1 42 ? 4.617 5.895 -1.982 1.00 0.00 ? 42 THR A CG2 10 ATOM 14333 H H . THR A 1 42 ? 2.128 6.074 -3.533 1.00 0.00 ? 42 THR A H 10 ATOM 14334 H HA . THR A 1 42 ? 3.562 8.196 -2.587 1.00 0.00 ? 42 THR A HA 10 ATOM 14335 H HB . THR A 1 42 ? 5.625 6.984 -3.508 1.00 0.00 ? 42 THR A HB 10 ATOM 14336 H HG1 . THR A 1 42 ? 5.256 4.985 -4.435 1.00 0.00 ? 42 THR A HG1 10 ATOM 14337 H HG21 . THR A 1 42 ? 5.465 5.238 -1.862 1.00 0.00 ? 42 THR A HG21 10 ATOM 14338 H HG22 . THR A 1 42 ? 3.704 5.329 -1.871 1.00 0.00 ? 42 THR A HG22 10 ATOM 14339 H HG23 . THR A 1 42 ? 4.653 6.669 -1.230 1.00 0.00 ? 42 THR A HG23 10 ATOM 14340 N N . THR A 1 43 ? 3.954 7.976 -5.867 1.00 0.00 ? 43 THR A N 10 ATOM 14341 C CA . THR A 1 43 ? 4.285 8.744 -7.061 1.00 0.00 ? 43 THR A CA 10 ATOM 14342 C C . THR A 1 43 ? 3.600 10.106 -7.046 1.00 0.00 ? 43 THR A C 10 ATOM 14343 O O . THR A 1 43 ? 4.210 11.122 -7.379 1.00 0.00 ? 43 THR A O 10 ATOM 14344 C CB . THR A 1 43 ? 3.879 7.993 -8.343 1.00 0.00 ? 43 THR A CB 10 ATOM 14345 O OG1 . THR A 1 43 ? 4.584 6.749 -8.426 1.00 0.00 ? 43 THR A OG1 10 ATOM 14346 C CG2 . THR A 1 43 ? 4.171 8.831 -9.578 1.00 0.00 ? 43 THR A CG2 10 ATOM 14347 H H . THR A 1 43 ? 3.740 7.024 -5.955 1.00 0.00 ? 43 THR A H 10 ATOM 14348 H HA . THR A 1 43 ? 5.355 8.890 -7.078 1.00 0.00 ? 43 THR A HA 10 ATOM 14349 H HB . THR A 1 43 ? 2.817 7.794 -8.304 1.00 0.00 ? 43 THR A HB 10 ATOM 14350 H HG1 . THR A 1 43 ? 5.525 6.907 -8.314 1.00 0.00 ? 43 THR A HG1 10 ATOM 14351 H HG21 . THR A 1 43 ? 4.860 8.301 -10.218 1.00 0.00 ? 43 THR A HG21 10 ATOM 14352 H HG22 . THR A 1 43 ? 4.610 9.772 -9.278 1.00 0.00 ? 43 THR A HG22 10 ATOM 14353 H HG23 . THR A 1 43 ? 3.252 9.017 -10.113 1.00 0.00 ? 43 THR A HG23 10 ATOM 14354 N N . TYR A 1 44 ? 2.330 10.120 -6.657 1.00 0.00 ? 44 TYR A N 10 ATOM 14355 C CA . TYR A 1 44 ? 1.562 11.358 -6.599 1.00 0.00 ? 44 TYR A CA 10 ATOM 14356 C C . TYR A 1 44 ? 2.099 12.283 -5.512 1.00 0.00 ? 44 TYR A C 10 ATOM 14357 O O . TYR A 1 44 ? 2.431 13.441 -5.772 1.00 0.00 ? 44 TYR A O 10 ATOM 14358 C CB . TYR A 1 44 ? 0.085 11.055 -6.343 1.00 0.00 ? 44 TYR A CB 10 ATOM 14359 C CG . TYR A 1 44 ? -0.784 12.291 -6.270 1.00 0.00 ? 44 TYR A CG 10 ATOM 14360 C CD1 . TYR A 1 44 ? -0.708 13.274 -7.249 1.00 0.00 ? 44 TYR A CD1 10 ATOM 14361 C CD2 . TYR A 1 44 ? -1.678 12.475 -5.224 1.00 0.00 ? 44 TYR A CD2 10 ATOM 14362 C CE1 . TYR A 1 44 ? -1.499 14.406 -7.187 1.00 0.00 ? 44 TYR A CE1 10 ATOM 14363 C CE2 . TYR A 1 44 ? -2.474 13.602 -5.154 1.00 0.00 ? 44 TYR A CE2 10 ATOM 14364 C CZ . TYR A 1 44 ? -2.380 14.565 -6.138 1.00 0.00 ? 44 TYR A CZ 10 ATOM 14365 O OH . TYR A 1 44 ? -3.170 15.690 -6.072 1.00 0.00 ? 44 TYR A OH 10 ATOM 14366 H H . TYR A 1 44 ? 1.898 9.278 -6.403 1.00 0.00 ? 44 TYR A H 10 ATOM 14367 H HA . TYR A 1 44 ? 1.657 11.852 -7.556 1.00 0.00 ? 44 TYR A HA 10 ATOM 14368 H HB2 . TYR A 1 44 ? -0.292 10.432 -7.139 1.00 0.00 ? 44 TYR A HB2 10 ATOM 14369 H HB3 . TYR A 1 44 ? -0.010 10.528 -5.404 1.00 0.00 ? 44 TYR A HB3 10 ATOM 14370 H HD1 . TYR A 1 44 ? -0.017 13.147 -8.069 1.00 0.00 ? 44 TYR A HD1 10 ATOM 14371 H HD2 . TYR A 1 44 ? -1.748 11.720 -4.454 1.00 0.00 ? 44 TYR A HD2 10 ATOM 14372 H HE1 . TYR A 1 44 ? -1.426 15.159 -7.957 1.00 0.00 ? 44 TYR A HE1 10 ATOM 14373 H HE2 . TYR A 1 44 ? -3.164 13.728 -4.333 1.00 0.00 ? 44 TYR A HE2 10 ATOM 14374 H HH . TYR A 1 44 ? -2.628 16.448 -5.841 1.00 0.00 ? 44 TYR A HH 10 ATOM 14375 N N . LEU A 1 45 ? 2.184 11.764 -4.292 1.00 0.00 ? 45 LEU A N 10 ATOM 14376 C CA . LEU A 1 45 ? 2.682 12.542 -3.163 1.00 0.00 ? 45 LEU A CA 10 ATOM 14377 C C . LEU A 1 45 ? 4.029 13.178 -3.491 1.00 0.00 ? 45 LEU A C 10 ATOM 14378 O O . LEU A 1 45 ? 4.210 14.386 -3.338 1.00 0.00 ? 45 LEU A O 10 ATOM 14379 C CB . LEU A 1 45 ? 2.813 11.654 -1.925 1.00 0.00 ? 45 LEU A CB 10 ATOM 14380 C CG . LEU A 1 45 ? 1.541 11.461 -1.098 1.00 0.00 ? 45 LEU A CG 10 ATOM 14381 C CD1 . LEU A 1 45 ? 1.749 10.389 -0.040 1.00 0.00 ? 45 LEU A CD1 10 ATOM 14382 C CD2 . LEU A 1 45 ? 1.120 12.774 -0.455 1.00 0.00 ? 45 LEU A CD2 10 ATOM 14383 H H . LEU A 1 45 ? 1.905 10.837 -4.146 1.00 0.00 ? 45 LEU A H 10 ATOM 14384 H HA . LEU A 1 45 ? 1.967 13.326 -2.959 1.00 0.00 ? 45 LEU A HA 10 ATOM 14385 H HB2 . LEU A 1 45 ? 3.146 10.680 -2.250 1.00 0.00 ? 45 LEU A HB2 10 ATOM 14386 H HB3 . LEU A 1 45 ? 3.564 12.092 -1.282 1.00 0.00 ? 45 LEU A HB3 10 ATOM 14387 H HG . LEU A 1 45 ? 0.742 11.136 -1.750 1.00 0.00 ? 45 LEU A HG 10 ATOM 14388 H HD11 . LEU A 1 45 ? 1.587 9.416 -0.477 1.00 0.00 ? 45 LEU A HD11 10 ATOM 14389 H HD12 . LEU A 1 45 ? 1.050 10.542 0.769 1.00 0.00 ? 45 LEU A HD12 10 ATOM 14390 H HD13 . LEU A 1 45 ? 2.758 10.451 0.341 1.00 0.00 ? 45 LEU A HD13 10 ATOM 14391 H HD21 . LEU A 1 45 ? 0.427 12.574 0.350 1.00 0.00 ? 45 LEU A HD21 10 ATOM 14392 H HD22 . LEU A 1 45 ? 0.641 13.400 -1.194 1.00 0.00 ? 45 LEU A HD22 10 ATOM 14393 H HD23 . LEU A 1 45 ? 1.991 13.279 -0.063 1.00 0.00 ? 45 LEU A HD23 10 ATOM 14394 N N . SER A 1 46 ? 4.970 12.357 -3.947 1.00 0.00 ? 46 SER A N 10 ATOM 14395 C CA . SER A 1 46 ? 6.301 12.839 -4.296 1.00 0.00 ? 46 SER A CA 10 ATOM 14396 C C . SER A 1 46 ? 6.216 14.024 -5.253 1.00 0.00 ? 46 SER A C 10 ATOM 14397 O O . SER A 1 46 ? 7.045 14.932 -5.208 1.00 0.00 ? 46 SER A O 10 ATOM 14398 C CB . SER A 1 46 ? 7.123 11.716 -4.929 1.00 0.00 ? 46 SER A CB 10 ATOM 14399 O OG . SER A 1 46 ? 8.302 12.223 -5.531 1.00 0.00 ? 46 SER A OG 10 ATOM 14400 H H . SER A 1 46 ? 4.764 11.404 -4.048 1.00 0.00 ? 46 SER A H 10 ATOM 14401 H HA . SER A 1 46 ? 6.786 13.161 -3.387 1.00 0.00 ? 46 SER A HA 10 ATOM 14402 H HB2 . SER A 1 46 ? 7.401 11.003 -4.168 1.00 0.00 ? 46 SER A HB2 10 ATOM 14403 H HB3 . SER A 1 46 ? 6.531 11.222 -5.686 1.00 0.00 ? 46 SER A HB3 10 ATOM 14404 H HG . SER A 1 46 ? 8.931 12.467 -4.848 1.00 0.00 ? 46 SER A HG 10 ATOM 14405 N N . GLU A 1 47 ? 5.207 14.006 -6.119 1.00 0.00 ? 47 GLU A N 10 ATOM 14406 C CA . GLU A 1 47 ? 5.013 15.079 -7.088 1.00 0.00 ? 47 GLU A CA 10 ATOM 14407 C C . GLU A 1 47 ? 4.524 16.351 -6.401 1.00 0.00 ? 47 GLU A C 10 ATOM 14408 O O . GLU A 1 47 ? 4.989 17.450 -6.704 1.00 0.00 ? 47 GLU A O 10 ATOM 14409 C CB . GLU A 1 47 ? 4.013 14.650 -8.164 1.00 0.00 ? 47 GLU A CB 10 ATOM 14410 C CG . GLU A 1 47 ? 4.659 13.968 -9.358 1.00 0.00 ? 47 GLU A CG 10 ATOM 14411 C CD . GLU A 1 47 ? 5.268 14.955 -10.335 1.00 0.00 ? 47 GLU A CD 10 ATOM 14412 O OE1 . GLU A 1 47 ? 6.146 15.739 -9.917 1.00 0.00 ? 47 GLU A OE1 10 ATOM 14413 O OE2 . GLU A 1 47 ? 4.867 14.943 -11.517 1.00 0.00 ? 47 GLU A OE2 10 ATOM 14414 H H . GLU A 1 47 ? 4.578 13.255 -6.106 1.00 0.00 ? 47 GLU A H 10 ATOM 14415 H HA . GLU A 1 47 ? 5.966 15.280 -7.555 1.00 0.00 ? 47 GLU A HA 10 ATOM 14416 H HB2 . GLU A 1 47 ? 3.302 13.966 -7.725 1.00 0.00 ? 47 GLU A HB2 10 ATOM 14417 H HB3 . GLU A 1 47 ? 3.487 15.524 -8.517 1.00 0.00 ? 47 GLU A HB3 10 ATOM 14418 H HG2 . GLU A 1 47 ? 5.438 13.310 -9.003 1.00 0.00 ? 47 GLU A HG2 10 ATOM 14419 H HG3 . GLU A 1 47 ? 3.908 13.389 -9.875 1.00 0.00 ? 47 GLU A HG3 10 ATOM 14420 N N . ALA A 1 48 ? 3.583 16.193 -5.476 1.00 0.00 ? 48 ALA A N 10 ATOM 14421 C CA . ALA A 1 48 ? 3.032 17.327 -4.746 1.00 0.00 ? 48 ALA A CA 10 ATOM 14422 C C . ALA A 1 48 ? 4.135 18.275 -4.289 1.00 0.00 ? 48 ALA A C 10 ATOM 14423 O O . ALA A 1 48 ? 4.161 19.444 -4.674 1.00 0.00 ? 48 ALA A O 10 ATOM 14424 C CB . ALA A 1 48 ? 2.222 16.843 -3.552 1.00 0.00 ? 48 ALA A CB 10 ATOM 14425 H H . ALA A 1 48 ? 3.253 15.291 -5.280 1.00 0.00 ? 48 ALA A H 10 ATOM 14426 H HA . ALA A 1 48 ? 2.365 17.859 -5.409 1.00 0.00 ? 48 ALA A HA 10 ATOM 14427 H HB1 . ALA A 1 48 ? 2.772 16.069 -3.036 1.00 0.00 ? 48 ALA A HB1 10 ATOM 14428 H HB2 . ALA A 1 48 ? 2.044 17.668 -2.879 1.00 0.00 ? 48 ALA A HB2 10 ATOM 14429 H HB3 . ALA A 1 48 ? 1.278 16.446 -3.894 1.00 0.00 ? 48 ALA A HB3 10 ATOM 14430 N N . MET A 1 49 ? 5.046 17.764 -3.467 1.00 0.00 ? 49 MET A N 10 ATOM 14431 C CA . MET A 1 49 ? 6.152 18.566 -2.959 1.00 0.00 ? 49 MET A CA 10 ATOM 14432 C C . MET A 1 49 ? 6.978 19.142 -4.105 1.00 0.00 ? 49 MET A C 10 ATOM 14433 O O . MET A 1 49 ? 7.482 20.262 -4.020 1.00 0.00 ? 49 MET A O 10 ATOM 14434 C CB . MET A 1 49 ? 7.045 17.723 -2.046 1.00 0.00 ? 49 MET A CB 10 ATOM 14435 C CG . MET A 1 49 ? 7.509 16.423 -2.682 1.00 0.00 ? 49 MET A CG 10 ATOM 14436 S SD . MET A 1 49 ? 8.146 15.247 -1.472 1.00 0.00 ? 49 MET A SD 10 ATOM 14437 C CE . MET A 1 49 ? 6.829 15.261 -0.259 1.00 0.00 ? 49 MET A CE 10 ATOM 14438 H H . MET A 1 49 ? 4.972 16.825 -3.195 1.00 0.00 ? 49 MET A H 10 ATOM 14439 H HA . MET A 1 49 ? 5.735 19.381 -2.387 1.00 0.00 ? 49 MET A HA 10 ATOM 14440 H HB2 . MET A 1 49 ? 7.917 18.301 -1.781 1.00 0.00 ? 49 MET A HB2 10 ATOM 14441 H HB3 . MET A 1 49 ? 6.496 17.483 -1.147 1.00 0.00 ? 49 MET A HB3 10 ATOM 14442 H HG2 . MET A 1 49 ? 6.674 15.970 -3.196 1.00 0.00 ? 49 MET A HG2 10 ATOM 14443 H HG3 . MET A 1 49 ? 8.289 16.645 -3.394 1.00 0.00 ? 49 MET A HG3 10 ATOM 14444 H HE1 . MET A 1 49 ? 5.880 15.390 -0.759 1.00 0.00 ? 49 MET A HE1 10 ATOM 14445 H HE2 . MET A 1 49 ? 6.828 14.326 0.282 1.00 0.00 ? 49 MET A HE2 10 ATOM 14446 H HE3 . MET A 1 49 ? 6.985 16.077 0.432 1.00 0.00 ? 49 MET A HE3 10 ATOM 14447 N N . LYS A 1 50 ? 7.112 18.369 -5.178 1.00 0.00 ? 50 LYS A N 10 ATOM 14448 C CA . LYS A 1 50 ? 7.875 18.802 -6.342 1.00 0.00 ? 50 LYS A CA 10 ATOM 14449 C C . LYS A 1 50 ? 7.178 19.958 -7.051 1.00 0.00 ? 50 LYS A C 10 ATOM 14450 O O . LYS A 1 50 ? 7.731 20.559 -7.973 1.00 0.00 ? 50 LYS A O 10 ATOM 14451 C CB . LYS A 1 50 ? 8.067 17.635 -7.314 1.00 0.00 ? 50 LYS A CB 10 ATOM 14452 C CG . LYS A 1 50 ? 9.146 16.657 -6.884 1.00 0.00 ? 50 LYS A CG 10 ATOM 14453 C CD . LYS A 1 50 ? 9.187 15.438 -7.791 1.00 0.00 ? 50 LYS A CD 10 ATOM 14454 C CE . LYS A 1 50 ? 9.900 15.741 -9.100 1.00 0.00 ? 50 LYS A CE 10 ATOM 14455 N NZ . LYS A 1 50 ? 8.973 16.311 -10.117 1.00 0.00 ? 50 LYS A NZ 10 ATOM 14456 H H . LYS A 1 50 ? 6.686 17.486 -5.187 1.00 0.00 ? 50 LYS A H 10 ATOM 14457 H HA . LYS A 1 50 ? 8.843 19.136 -5.999 1.00 0.00 ? 50 LYS A HA 10 ATOM 14458 H HB2 . LYS A 1 50 ? 7.135 17.097 -7.400 1.00 0.00 ? 50 LYS A HB2 10 ATOM 14459 H HB3 . LYS A 1 50 ? 8.335 18.030 -8.284 1.00 0.00 ? 50 LYS A HB3 10 ATOM 14460 H HG2 . LYS A 1 50 ? 10.105 17.152 -6.922 1.00 0.00 ? 50 LYS A HG2 10 ATOM 14461 H HG3 . LYS A 1 50 ? 8.945 16.334 -5.872 1.00 0.00 ? 50 LYS A HG3 10 ATOM 14462 H HD2 . LYS A 1 50 ? 9.712 14.641 -7.285 1.00 0.00 ? 50 LYS A HD2 10 ATOM 14463 H HD3 . LYS A 1 50 ? 8.175 15.126 -8.006 1.00 0.00 ? 50 LYS A HD3 10 ATOM 14464 H HE2 . LYS A 1 50 ? 10.691 16.450 -8.908 1.00 0.00 ? 50 LYS A HE2 10 ATOM 14465 H HE3 . LYS A 1 50 ? 10.324 14.825 -9.484 1.00 0.00 ? 50 LYS A HE3 10 ATOM 14466 H HZ1 . LYS A 1 50 ? 9.343 16.138 -11.074 1.00 0.00 ? 50 LYS A HZ1 10 ATOM 14467 H HZ2 . LYS A 1 50 ? 8.876 17.337 -9.976 1.00 0.00 ? 50 LYS A HZ2 10 ATOM 14468 H HZ3 . LYS A 1 50 ? 8.036 15.870 -10.034 1.00 0.00 ? 50 LYS A HZ3 10 ATOM 14469 N N . LEU A 1 51 ? 5.961 20.266 -6.615 1.00 0.00 ? 51 LEU A N 10 ATOM 14470 C CA . LEU A 1 51 ? 5.188 21.352 -7.207 1.00 0.00 ? 51 LEU A CA 10 ATOM 14471 C C . LEU A 1 51 ? 5.026 22.505 -6.222 1.00 0.00 ? 51 LEU A C 10 ATOM 14472 O O . LEU A 1 51 ? 5.469 23.625 -6.480 1.00 0.00 ? 51 LEU A O 10 ATOM 14473 C CB . LEU A 1 51 ? 3.814 20.846 -7.647 1.00 0.00 ? 51 LEU A CB 10 ATOM 14474 C CG . LEU A 1 51 ? 3.171 21.584 -8.822 1.00 0.00 ? 51 LEU A CG 10 ATOM 14475 C CD1 . LEU A 1 51 ? 3.891 21.252 -10.119 1.00 0.00 ? 51 LEU A CD1 10 ATOM 14476 C CD2 . LEU A 1 51 ? 1.693 21.235 -8.926 1.00 0.00 ? 51 LEU A CD2 10 ATOM 14477 H H . LEU A 1 51 ? 5.573 19.751 -5.878 1.00 0.00 ? 51 LEU A H 10 ATOM 14478 H HA . LEU A 1 51 ? 5.726 21.708 -8.073 1.00 0.00 ? 51 LEU A HA 10 ATOM 14479 H HB2 . LEU A 1 51 ? 3.917 19.808 -7.925 1.00 0.00 ? 51 LEU A HB2 10 ATOM 14480 H HB3 . LEU A 1 51 ? 3.146 20.924 -6.800 1.00 0.00 ? 51 LEU A HB3 10 ATOM 14481 H HG . LEU A 1 51 ? 3.253 22.649 -8.658 1.00 0.00 ? 51 LEU A HG 10 ATOM 14482 H HD11 . LEU A 1 51 ? 3.267 21.524 -10.957 1.00 0.00 ? 51 LEU A HD11 10 ATOM 14483 H HD12 . LEU A 1 51 ? 4.101 20.193 -10.154 1.00 0.00 ? 51 LEU A HD12 10 ATOM 14484 H HD13 . LEU A 1 51 ? 4.819 21.804 -10.166 1.00 0.00 ? 51 LEU A HD13 10 ATOM 14485 H HD21 . LEU A 1 51 ? 1.407 21.189 -9.967 1.00 0.00 ? 51 LEU A HD21 10 ATOM 14486 H HD22 . LEU A 1 51 ? 1.108 21.993 -8.426 1.00 0.00 ? 51 LEU A HD22 10 ATOM 14487 H HD23 . LEU A 1 51 ? 1.515 20.277 -8.461 1.00 0.00 ? 51 LEU A HD23 10 ATOM 14488 N N . THR A 1 52 ? 4.391 22.224 -5.088 1.00 0.00 ? 52 THR A N 10 ATOM 14489 C CA . THR A 1 52 ? 4.171 23.236 -4.063 1.00 0.00 ? 52 THR A CA 10 ATOM 14490 C C . THR A 1 52 ? 5.421 24.083 -3.851 1.00 0.00 ? 52 THR A C 10 ATOM 14491 O O . THR A 1 52 ? 6.501 23.556 -3.586 1.00 0.00 ? 52 THR A O 10 ATOM 14492 C CB . THR A 1 52 ? 3.763 22.599 -2.722 1.00 0.00 ? 52 THR A CB 10 ATOM 14493 O OG1 . THR A 1 52 ? 3.030 23.543 -1.933 1.00 0.00 ? 52 THR A OG1 10 ATOM 14494 C CG2 . THR A 1 52 ? 4.987 22.128 -1.952 1.00 0.00 ? 52 THR A CG2 10 ATOM 14495 H H . THR A 1 52 ? 4.061 21.313 -4.940 1.00 0.00 ? 52 THR A H 10 ATOM 14496 H HA . THR A 1 52 ? 3.366 23.876 -4.394 1.00 0.00 ? 52 THR A HA 10 ATOM 14497 H HB . THR A 1 52 ? 3.132 21.744 -2.924 1.00 0.00 ? 52 THR A HB 10 ATOM 14498 H HG1 . THR A 1 52 ? 2.412 23.076 -1.366 1.00 0.00 ? 52 THR A HG1 10 ATOM 14499 H HG21 . THR A 1 52 ? 5.649 21.595 -2.618 1.00 0.00 ? 52 THR A HG21 10 ATOM 14500 H HG22 . THR A 1 52 ? 4.678 21.473 -1.151 1.00 0.00 ? 52 THR A HG22 10 ATOM 14501 H HG23 . THR A 1 52 ? 5.503 22.982 -1.540 1.00 0.00 ? 52 THR A HG23 10 ATOM 14502 N N . GLU A 1 53 ? 5.266 25.398 -3.967 1.00 0.00 ? 53 GLU A N 10 ATOM 14503 C CA . GLU A 1 53 ? 6.383 26.318 -3.787 1.00 0.00 ? 53 GLU A CA 10 ATOM 14504 C C . GLU A 1 53 ? 6.467 26.796 -2.340 1.00 0.00 ? 53 GLU A C 10 ATOM 14505 O O . GLU A 1 53 ? 7.057 27.837 -2.053 1.00 0.00 ? 53 GLU A O 10 ATOM 14506 C CB . GLU A 1 53 ? 6.241 27.518 -4.725 1.00 0.00 ? 53 GLU A CB 10 ATOM 14507 C CG . GLU A 1 53 ? 5.408 28.649 -4.145 1.00 0.00 ? 53 GLU A CG 10 ATOM 14508 C CD . GLU A 1 53 ? 4.706 29.464 -5.213 1.00 0.00 ? 53 GLU A CD 10 ATOM 14509 O OE1 . GLU A 1 53 ? 3.738 28.949 -5.812 1.00 0.00 ? 53 GLU A OE1 10 ATOM 14510 O OE2 . GLU A 1 53 ? 5.124 30.616 -5.452 1.00 0.00 ? 53 GLU A OE2 10 ATOM 14511 H H . GLU A 1 53 ? 4.379 25.759 -4.179 1.00 0.00 ? 53 GLU A H 10 ATOM 14512 H HA . GLU A 1 53 ? 7.291 25.787 -4.031 1.00 0.00 ? 53 GLU A HA 10 ATOM 14513 H HB2 . GLU A 1 53 ? 7.225 27.902 -4.951 1.00 0.00 ? 53 GLU A HB2 10 ATOM 14514 H HB3 . GLU A 1 53 ? 5.774 27.189 -5.642 1.00 0.00 ? 53 GLU A HB3 10 ATOM 14515 H HG2 . GLU A 1 53 ? 4.662 28.228 -3.487 1.00 0.00 ? 53 GLU A HG2 10 ATOM 14516 H HG3 . GLU A 1 53 ? 6.056 29.303 -3.581 1.00 0.00 ? 53 GLU A HG3 10 ATOM 14517 N N . SER A 1 54 ? 5.871 26.027 -1.434 1.00 0.00 ? 54 SER A N 10 ATOM 14518 C CA . SER A 1 54 ? 5.874 26.374 -0.017 1.00 0.00 ? 54 SER A CA 10 ATOM 14519 C C . SER A 1 54 ? 6.650 25.340 0.793 1.00 0.00 ? 54 SER A C 10 ATOM 14520 O O . SER A 1 54 ? 6.787 24.189 0.381 1.00 0.00 ? 54 SER A O 10 ATOM 14521 C CB . SER A 1 54 ? 4.441 26.478 0.507 1.00 0.00 ? 54 SER A CB 10 ATOM 14522 O OG . SER A 1 54 ? 4.421 26.905 1.858 1.00 0.00 ? 54 SER A OG 10 ATOM 14523 H H . SER A 1 54 ? 5.417 25.209 -1.726 1.00 0.00 ? 54 SER A H 10 ATOM 14524 H HA . SER A 1 54 ? 6.358 27.333 0.088 1.00 0.00 ? 54 SER A HA 10 ATOM 14525 H HB2 . SER A 1 54 ? 3.893 27.191 -0.091 1.00 0.00 ? 54 SER A HB2 10 ATOM 14526 H HB3 . SER A 1 54 ? 3.964 25.511 0.440 1.00 0.00 ? 54 SER A HB3 10 ATOM 14527 H HG . SER A 1 54 ? 3.544 26.772 2.223 1.00 0.00 ? 54 SER A HG 10 ATOM 14528 N N . GLU A 1 55 ? 7.155 25.761 1.949 1.00 0.00 ? 55 GLU A N 10 ATOM 14529 C CA . GLU A 1 55 ? 7.918 24.871 2.817 1.00 0.00 ? 55 GLU A CA 10 ATOM 14530 C C . GLU A 1 55 ? 6.987 24.000 3.656 1.00 0.00 ? 55 GLU A C 10 ATOM 14531 O O . GLU A 1 55 ? 6.941 22.782 3.487 1.00 0.00 ? 55 GLU A O 10 ATOM 14532 C CB . GLU A 1 55 ? 8.838 25.682 3.732 1.00 0.00 ? 55 GLU A CB 10 ATOM 14533 C CG . GLU A 1 55 ? 9.851 24.834 4.482 1.00 0.00 ? 55 GLU A CG 10 ATOM 14534 C CD . GLU A 1 55 ? 10.753 25.659 5.379 1.00 0.00 ? 55 GLU A CD 10 ATOM 14535 O OE1 . GLU A 1 55 ? 10.319 26.745 5.819 1.00 0.00 ? 55 GLU A OE1 10 ATOM 14536 O OE2 . GLU A 1 55 ? 11.893 25.220 5.640 1.00 0.00 ? 55 GLU A OE2 10 ATOM 14537 H H . GLU A 1 55 ? 7.012 26.690 2.223 1.00 0.00 ? 55 GLU A H 10 ATOM 14538 H HA . GLU A 1 55 ? 8.521 24.233 2.190 1.00 0.00 ? 55 GLU A HA 10 ATOM 14539 H HB2 . GLU A 1 55 ? 9.376 26.403 3.134 1.00 0.00 ? 55 GLU A HB2 10 ATOM 14540 H HB3 . GLU A 1 55 ? 8.233 26.208 4.456 1.00 0.00 ? 55 GLU A HB3 10 ATOM 14541 H HG2 . GLU A 1 55 ? 9.320 24.118 5.093 1.00 0.00 ? 55 GLU A HG2 10 ATOM 14542 H HG3 . GLU A 1 55 ? 10.464 24.308 3.765 1.00 0.00 ? 55 GLU A HG3 10 ATOM 14543 N N . GLN A 1 56 ? 6.249 24.635 4.561 1.00 0.00 ? 56 GLN A N 10 ATOM 14544 C CA . GLN A 1 56 ? 5.320 23.918 5.427 1.00 0.00 ? 56 GLN A CA 10 ATOM 14545 C C . GLN A 1 56 ? 4.640 22.780 4.673 1.00 0.00 ? 56 GLN A C 10 ATOM 14546 O O . GLN A 1 56 ? 4.669 21.630 5.108 1.00 0.00 ? 56 GLN A O 10 ATOM 14547 C CB . GLN A 1 56 ? 4.268 24.877 5.986 1.00 0.00 ? 56 GLN A CB 10 ATOM 14548 C CG . GLN A 1 56 ? 4.795 25.787 7.084 1.00 0.00 ? 56 GLN A CG 10 ATOM 14549 C CD . GLN A 1 56 ? 5.074 25.043 8.375 1.00 0.00 ? 56 GLN A CD 10 ATOM 14550 O OE1 . GLN A 1 56 ? 4.787 23.851 8.493 1.00 0.00 ? 56 GLN A OE1 10 ATOM 14551 N NE2 . GLN A 1 56 ? 5.638 25.743 9.352 1.00 0.00 ? 56 GLN A NE2 10 ATOM 14552 H H . GLN A 1 56 ? 6.330 25.607 4.648 1.00 0.00 ? 56 GLN A H 10 ATOM 14553 H HA . GLN A 1 56 ? 5.886 23.502 6.247 1.00 0.00 ? 56 GLN A HA 10 ATOM 14554 H HB2 . GLN A 1 56 ? 3.898 25.495 5.182 1.00 0.00 ? 56 GLN A HB2 10 ATOM 14555 H HB3 . GLN A 1 56 ? 3.450 24.298 6.391 1.00 0.00 ? 56 GLN A HB3 10 ATOM 14556 H HG2 . GLN A 1 56 ? 5.713 26.244 6.745 1.00 0.00 ? 56 GLN A HG2 10 ATOM 14557 H HG3 . GLN A 1 56 ? 4.062 26.555 7.279 1.00 0.00 ? 56 GLN A HG3 10 ATOM 14558 H HE21 . GLN A 1 56 ? 5.838 26.689 9.187 1.00 0.00 ? 56 GLN A HE21 10 ATOM 14559 H HE22 . GLN A 1 56 ? 5.828 25.288 10.198 1.00 0.00 ? 56 GLN A HE22 10 ATOM 14560 N N . ALA A 1 57 ? 4.027 23.111 3.541 1.00 0.00 ? 57 ALA A N 10 ATOM 14561 C CA . ALA A 1 57 ? 3.341 22.117 2.726 1.00 0.00 ? 57 ALA A CA 10 ATOM 14562 C C . ALA A 1 57 ? 4.249 20.928 2.428 1.00 0.00 ? 57 ALA A C 10 ATOM 14563 O O . ALA A 1 57 ? 3.895 19.780 2.698 1.00 0.00 ? 57 ALA A O 10 ATOM 14564 C CB . ALA A 1 57 ? 2.849 22.745 1.430 1.00 0.00 ? 57 ALA A CB 10 ATOM 14565 H H . ALA A 1 57 ? 4.039 24.045 3.247 1.00 0.00 ? 57 ALA A H 10 ATOM 14566 H HA . ALA A 1 57 ? 2.480 21.769 3.278 1.00 0.00 ? 57 ALA A HA 10 ATOM 14567 H HB1 . ALA A 1 57 ? 1.774 22.845 1.465 1.00 0.00 ? 57 ALA A HB1 10 ATOM 14568 H HB2 . ALA A 1 57 ? 3.298 23.720 1.310 1.00 0.00 ? 57 ALA A HB2 10 ATOM 14569 H HB3 . ALA A 1 57 ? 3.126 22.116 0.598 1.00 0.00 ? 57 ALA A HB3 10 ATOM 14570 N N . HIS A 1 58 ? 5.422 21.211 1.870 1.00 0.00 ? 58 HIS A N 10 ATOM 14571 C CA . HIS A 1 58 ? 6.382 20.165 1.536 1.00 0.00 ? 58 HIS A CA 10 ATOM 14572 C C . HIS A 1 58 ? 6.597 19.227 2.719 1.00 0.00 ? 58 HIS A C 10 ATOM 14573 O O . HIS A 1 58 ? 6.828 18.030 2.542 1.00 0.00 ? 58 HIS A O 10 ATOM 14574 C CB . HIS A 1 58 ? 7.714 20.783 1.111 1.00 0.00 ? 58 HIS A CB 10 ATOM 14575 C CG . HIS A 1 58 ? 8.809 19.777 0.927 1.00 0.00 ? 58 HIS A CG 10 ATOM 14576 N ND1 . HIS A 1 58 ? 9.351 19.055 1.970 1.00 0.00 ? 58 HIS A ND1 10 ATOM 14577 C CD2 . HIS A 1 58 ? 9.463 19.374 -0.187 1.00 0.00 ? 58 HIS A CD2 10 ATOM 14578 C CE1 . HIS A 1 58 ? 10.291 18.252 1.505 1.00 0.00 ? 58 HIS A CE1 10 ATOM 14579 N NE2 . HIS A 1 58 ? 10.378 18.426 0.198 1.00 0.00 ? 58 HIS A NE2 10 ATOM 14580 H H . HIS A 1 58 ? 5.647 22.146 1.679 1.00 0.00 ? 58 HIS A H 10 ATOM 14581 H HA . HIS A 1 58 ? 5.979 19.597 0.711 1.00 0.00 ? 58 HIS A HA 10 ATOM 14582 H HB2 . HIS A 1 58 ? 7.580 21.302 0.173 1.00 0.00 ? 58 HIS A HB2 10 ATOM 14583 H HB3 . HIS A 1 58 ? 8.033 21.488 1.865 1.00 0.00 ? 58 HIS A HB3 10 ATOM 14584 H HD1 . HIS A 1 58 ? 9.086 19.123 2.911 1.00 0.00 ? 58 HIS A HD1 10 ATOM 14585 H HD2 . HIS A 1 58 ? 9.296 19.731 -1.194 1.00 0.00 ? 58 HIS A HD2 10 ATOM 14586 H HE1 . HIS A 1 58 ? 10.887 17.570 2.092 1.00 0.00 ? 58 HIS A HE1 10 ATOM 14587 H HE2 . HIS A 1 58 ? 11.054 18.017 -0.381 1.00 0.00 ? 58 HIS A HE2 10 ATOM 14588 N N . LEU A 1 59 ? 6.520 19.777 3.926 1.00 0.00 ? 59 LEU A N 10 ATOM 14589 C CA . LEU A 1 59 ? 6.706 18.989 5.139 1.00 0.00 ? 59 LEU A CA 10 ATOM 14590 C C . LEU A 1 59 ? 5.576 17.980 5.313 1.00 0.00 ? 59 LEU A C 10 ATOM 14591 O O . LEU A 1 59 ? 5.803 16.771 5.307 1.00 0.00 ? 59 LEU A O 10 ATOM 14592 C CB . LEU A 1 59 ? 6.779 19.907 6.361 1.00 0.00 ? 59 LEU A CB 10 ATOM 14593 C CG . LEU A 1 59 ? 7.668 21.143 6.220 1.00 0.00 ? 59 LEU A CG 10 ATOM 14594 C CD1 . LEU A 1 59 ? 7.874 21.809 7.572 1.00 0.00 ? 59 LEU A CD1 10 ATOM 14595 C CD2 . LEU A 1 59 ? 9.005 20.770 5.598 1.00 0.00 ? 59 LEU A CD2 10 ATOM 14596 H H . LEU A 1 59 ? 6.333 20.735 4.004 1.00 0.00 ? 59 LEU A H 10 ATOM 14597 H HA . LEU A 1 59 ? 7.639 18.453 5.046 1.00 0.00 ? 59 LEU A HA 10 ATOM 14598 H HB2 . LEU A 1 59 ? 5.777 20.244 6.581 1.00 0.00 ? 59 LEU A HB2 10 ATOM 14599 H HB3 . LEU A 1 59 ? 7.151 19.323 7.191 1.00 0.00 ? 59 LEU A HB3 10 ATOM 14600 H HG . LEU A 1 59 ? 7.182 21.856 5.568 1.00 0.00 ? 59 LEU A HG 10 ATOM 14601 H HD11 . LEU A 1 59 ? 8.006 21.052 8.329 1.00 0.00 ? 59 LEU A HD11 10 ATOM 14602 H HD12 . LEU A 1 59 ? 7.010 22.412 7.811 1.00 0.00 ? 59 LEU A HD12 10 ATOM 14603 H HD13 . LEU A 1 59 ? 8.752 22.438 7.533 1.00 0.00 ? 59 LEU A HD13 10 ATOM 14604 H HD21 . LEU A 1 59 ? 9.626 21.651 5.524 1.00 0.00 ? 59 LEU A HD21 10 ATOM 14605 H HD22 . LEU A 1 59 ? 8.842 20.361 4.611 1.00 0.00 ? 59 LEU A HD22 10 ATOM 14606 H HD23 . LEU A 1 59 ? 9.497 20.033 6.216 1.00 0.00 ? 59 LEU A HD23 10 ATOM 14607 N N . SER A 1 60 ? 4.356 18.487 5.466 1.00 0.00 ? 60 SER A N 10 ATOM 14608 C CA . SER A 1 60 ? 3.190 17.630 5.643 1.00 0.00 ? 60 SER A CA 10 ATOM 14609 C C . SER A 1 60 ? 3.214 16.468 4.655 1.00 0.00 ? 60 SER A C 10 ATOM 14610 O O . SER A 1 60 ? 2.603 15.425 4.890 1.00 0.00 ? 60 SER A O 10 ATOM 14611 C CB . SER A 1 60 ? 1.904 18.440 5.464 1.00 0.00 ? 60 SER A CB 10 ATOM 14612 O OG . SER A 1 60 ? 1.885 19.564 6.327 1.00 0.00 ? 60 SER A OG 10 ATOM 14613 H H . SER A 1 60 ? 4.239 19.460 5.463 1.00 0.00 ? 60 SER A H 10 ATOM 14614 H HA . SER A 1 60 ? 3.218 17.234 6.648 1.00 0.00 ? 60 SER A HA 10 ATOM 14615 H HB2 . SER A 1 60 ? 1.837 18.783 4.443 1.00 0.00 ? 60 SER A HB2 10 ATOM 14616 H HB3 . SER A 1 60 ? 1.053 17.813 5.689 1.00 0.00 ? 60 SER A HB3 10 ATOM 14617 H HG . SER A 1 60 ? 2.134 19.292 7.213 1.00 0.00 ? 60 SER A HG 10 ATOM 14618 N N . LEU A 1 61 ? 3.925 16.655 3.549 1.00 0.00 ? 61 LEU A N 10 ATOM 14619 C CA . LEU A 1 61 ? 4.030 15.624 2.523 1.00 0.00 ? 61 LEU A CA 10 ATOM 14620 C C . LEU A 1 61 ? 5.189 14.678 2.819 1.00 0.00 ? 61 LEU A C 10 ATOM 14621 O O . LEU A 1 61 ? 5.001 13.467 2.931 1.00 0.00 ? 61 LEU A O 10 ATOM 14622 C CB . LEU A 1 61 ? 4.218 16.263 1.146 1.00 0.00 ? 61 LEU A CB 10 ATOM 14623 C CG . LEU A 1 61 ? 3.156 17.280 0.728 1.00 0.00 ? 61 LEU A CG 10 ATOM 14624 C CD1 . LEU A 1 61 ? 3.623 18.072 -0.484 1.00 0.00 ? 61 LEU A CD1 10 ATOM 14625 C CD2 . LEU A 1 61 ? 1.835 16.583 0.436 1.00 0.00 ? 61 LEU A CD2 10 ATOM 14626 H H . LEU A 1 61 ? 4.390 17.508 3.417 1.00 0.00 ? 61 LEU A H 10 ATOM 14627 H HA . LEU A 1 61 ? 3.110 15.058 2.526 1.00 0.00 ? 61 LEU A HA 10 ATOM 14628 H HB2 . LEU A 1 61 ? 5.174 16.763 1.141 1.00 0.00 ? 61 LEU A HB2 10 ATOM 14629 H HB3 . LEU A 1 61 ? 4.225 15.470 0.412 1.00 0.00 ? 61 LEU A HB3 10 ATOM 14630 H HG . LEU A 1 61 ? 2.995 17.977 1.539 1.00 0.00 ? 61 LEU A HG 10 ATOM 14631 H HD11 . LEU A 1 61 ? 4.564 18.550 -0.261 1.00 0.00 ? 61 LEU A HD11 10 ATOM 14632 H HD12 . LEU A 1 61 ? 2.886 18.822 -0.730 1.00 0.00 ? 61 LEU A HD12 10 ATOM 14633 H HD13 . LEU A 1 61 ? 3.748 17.403 -1.324 1.00 0.00 ? 61 LEU A HD13 10 ATOM 14634 H HD21 . LEU A 1 61 ? 1.371 16.289 1.365 1.00 0.00 ? 61 LEU A HD21 10 ATOM 14635 H HD22 . LEU A 1 61 ? 2.017 15.707 -0.169 1.00 0.00 ? 61 LEU A HD22 10 ATOM 14636 H HD23 . LEU A 1 61 ? 1.182 17.259 -0.096 1.00 0.00 ? 61 LEU A HD23 10 ATOM 14637 N N . GLU A 1 62 ? 6.387 15.239 2.947 1.00 0.00 ? 62 GLU A N 10 ATOM 14638 C CA . GLU A 1 62 ? 7.576 14.445 3.232 1.00 0.00 ? 62 GLU A CA 10 ATOM 14639 C C . GLU A 1 62 ? 7.316 13.466 4.374 1.00 0.00 ? 62 GLU A C 10 ATOM 14640 O O . GLU A 1 62 ? 7.991 12.444 4.496 1.00 0.00 ? 62 GLU A O 10 ATOM 14641 C CB . GLU A 1 62 ? 8.753 15.357 3.586 1.00 0.00 ? 62 GLU A CB 10 ATOM 14642 C CG . GLU A 1 62 ? 8.858 15.667 5.069 1.00 0.00 ? 62 GLU A CG 10 ATOM 14643 C CD . GLU A 1 62 ? 10.122 16.430 5.417 1.00 0.00 ? 62 GLU A CD 10 ATOM 14644 O OE1 . GLU A 1 62 ? 10.110 17.675 5.319 1.00 0.00 ? 62 GLU A OE1 10 ATOM 14645 O OE2 . GLU A 1 62 ? 11.122 15.782 5.789 1.00 0.00 ? 62 GLU A OE2 10 ATOM 14646 H H . GLU A 1 62 ? 6.473 16.210 2.847 1.00 0.00 ? 62 GLU A H 10 ATOM 14647 H HA . GLU A 1 62 ? 7.822 13.884 2.343 1.00 0.00 ? 62 GLU A HA 10 ATOM 14648 H HB2 . GLU A 1 62 ? 9.670 14.879 3.272 1.00 0.00 ? 62 GLU A HB2 10 ATOM 14649 H HB3 . GLU A 1 62 ? 8.643 16.289 3.051 1.00 0.00 ? 62 GLU A HB3 10 ATOM 14650 H HG2 . GLU A 1 62 ? 8.005 16.261 5.361 1.00 0.00 ? 62 GLU A HG2 10 ATOM 14651 H HG3 . GLU A 1 62 ? 8.854 14.738 5.620 1.00 0.00 ? 62 GLU A HG3 10 ATOM 14652 N N . LEU A 1 63 ? 6.333 13.788 5.208 1.00 0.00 ? 63 LEU A N 10 ATOM 14653 C CA . LEU A 1 63 ? 5.983 12.938 6.341 1.00 0.00 ? 63 LEU A CA 10 ATOM 14654 C C . LEU A 1 63 ? 5.005 11.846 5.920 1.00 0.00 ? 63 LEU A C 10 ATOM 14655 O O . LEU A 1 63 ? 5.289 10.657 6.063 1.00 0.00 ? 63 LEU A O 10 ATOM 14656 C CB . LEU A 1 63 ? 5.374 13.779 7.464 1.00 0.00 ? 63 LEU A CB 10 ATOM 14657 C CG . LEU A 1 63 ? 6.360 14.593 8.303 1.00 0.00 ? 63 LEU A CG 10 ATOM 14658 C CD1 . LEU A 1 63 ? 5.620 15.615 9.153 1.00 0.00 ? 63 LEU A CD1 10 ATOM 14659 C CD2 . LEU A 1 63 ? 7.199 13.675 9.180 1.00 0.00 ? 63 LEU A CD2 10 ATOM 14660 H H . LEU A 1 63 ? 5.831 14.615 5.059 1.00 0.00 ? 63 LEU A H 10 ATOM 14661 H HA . LEU A 1 63 ? 6.889 12.474 6.700 1.00 0.00 ? 63 LEU A HA 10 ATOM 14662 H HB2 . LEU A 1 63 ? 4.672 14.467 7.019 1.00 0.00 ? 63 LEU A HB2 10 ATOM 14663 H HB3 . LEU A 1 63 ? 4.847 13.109 8.129 1.00 0.00 ? 63 LEU A HB3 10 ATOM 14664 H HG . LEU A 1 63 ? 7.028 15.129 7.643 1.00 0.00 ? 63 LEU A HG 10 ATOM 14665 H HD11 . LEU A 1 63 ? 5.217 16.388 8.516 1.00 0.00 ? 63 LEU A HD11 10 ATOM 14666 H HD12 . LEU A 1 63 ? 6.304 16.054 9.864 1.00 0.00 ? 63 LEU A HD12 10 ATOM 14667 H HD13 . LEU A 1 63 ? 4.815 15.127 9.683 1.00 0.00 ? 63 LEU A HD13 10 ATOM 14668 H HD21 . LEU A 1 63 ? 6.641 13.419 10.069 1.00 0.00 ? 63 LEU A HD21 10 ATOM 14669 H HD22 . LEU A 1 63 ? 8.111 14.180 9.461 1.00 0.00 ? 63 LEU A HD22 10 ATOM 14670 H HD23 . LEU A 1 63 ? 7.438 12.775 8.634 1.00 0.00 ? 63 LEU A HD23 10 ATOM 14671 N N . GLN A 1 64 ? 3.854 12.258 5.399 1.00 0.00 ? 64 GLN A N 10 ATOM 14672 C CA . GLN A 1 64 ? 2.835 11.313 4.956 1.00 0.00 ? 64 GLN A CA 10 ATOM 14673 C C . GLN A 1 64 ? 3.419 10.302 3.975 1.00 0.00 ? 64 GLN A C 10 ATOM 14674 O O . GLN A 1 64 ? 3.071 9.122 4.004 1.00 0.00 ? 64 GLN A O 10 ATOM 14675 C CB . GLN A 1 64 ? 1.668 12.058 4.305 1.00 0.00 ? 64 GLN A CB 10 ATOM 14676 C CG . GLN A 1 64 ? 0.405 11.221 4.183 1.00 0.00 ? 64 GLN A CG 10 ATOM 14677 C CD . GLN A 1 64 ? -0.184 10.852 5.531 1.00 0.00 ? 64 GLN A CD 10 ATOM 14678 O OE1 . GLN A 1 64 ? 0.005 9.738 6.019 1.00 0.00 ? 64 GLN A OE1 10 ATOM 14679 N NE2 . GLN A 1 64 ? -0.901 11.788 6.140 1.00 0.00 ? 64 GLN A NE2 10 ATOM 14680 H H . GLN A 1 64 ? 3.686 13.219 5.311 1.00 0.00 ? 64 GLN A H 10 ATOM 14681 H HA . GLN A 1 64 ? 2.473 10.785 5.825 1.00 0.00 ? 64 GLN A HA 10 ATOM 14682 H HB2 . GLN A 1 64 ? 1.439 12.932 4.896 1.00 0.00 ? 64 GLN A HB2 10 ATOM 14683 H HB3 . GLN A 1 64 ? 1.964 12.370 3.314 1.00 0.00 ? 64 GLN A HB3 10 ATOM 14684 H HG2 . GLN A 1 64 ? -0.332 11.783 3.628 1.00 0.00 ? 64 GLN A HG2 10 ATOM 14685 H HG3 . GLN A 1 64 ? 0.640 10.313 3.648 1.00 0.00 ? 64 GLN A HG3 10 ATOM 14686 H HE21 . GLN A 1 64 ? -1.011 12.653 5.690 1.00 0.00 ? 64 GLN A HE21 10 ATOM 14687 H HE22 . GLN A 1 64 ? -1.294 11.577 7.011 1.00 0.00 ? 64 GLN A HE22 10 ATOM 14688 N N . ARG A 1 65 ? 4.309 10.773 3.108 1.00 0.00 ? 65 ARG A N 10 ATOM 14689 C CA . ARG A 1 65 ? 4.940 9.910 2.117 1.00 0.00 ? 65 ARG A CA 10 ATOM 14690 C C . ARG A 1 65 ? 5.648 8.737 2.789 1.00 0.00 ? 65 ARG A C 10 ATOM 14691 O O . ARG A 1 65 ? 5.426 7.580 2.434 1.00 0.00 ? 65 ARG A O 10 ATOM 14692 C CB . ARG A 1 65 ? 5.939 10.709 1.277 1.00 0.00 ? 65 ARG A CB 10 ATOM 14693 C CG . ARG A 1 65 ? 6.498 9.933 0.095 1.00 0.00 ? 65 ARG A CG 10 ATOM 14694 C CD . ARG A 1 65 ? 7.042 10.866 -0.976 1.00 0.00 ? 65 ARG A CD 10 ATOM 14695 N NE . ARG A 1 65 ? 8.338 11.428 -0.604 1.00 0.00 ? 65 ARG A NE 10 ATOM 14696 C CZ . ARG A 1 65 ? 9.463 10.724 -0.574 1.00 0.00 ? 65 ARG A CZ 10 ATOM 14697 N NH1 . ARG A 1 65 ? 9.453 9.437 -0.893 1.00 0.00 ? 65 ARG A NH1 10 ATOM 14698 N NH2 . ARG A 1 65 ? 10.603 11.307 -0.226 1.00 0.00 ? 65 ARG A NH2 10 ATOM 14699 H H . ARG A 1 65 ? 4.546 11.724 3.134 1.00 0.00 ? 65 ARG A H 10 ATOM 14700 H HA . ARG A 1 65 ? 4.166 9.526 1.470 1.00 0.00 ? 65 ARG A HA 10 ATOM 14701 H HB2 . ARG A 1 65 ? 5.448 11.593 0.899 1.00 0.00 ? 65 ARG A HB2 10 ATOM 14702 H HB3 . ARG A 1 65 ? 6.764 11.006 1.906 1.00 0.00 ? 65 ARG A HB3 10 ATOM 14703 H HG2 . ARG A 1 65 ? 7.297 9.294 0.440 1.00 0.00 ? 65 ARG A HG2 10 ATOM 14704 H HG3 . ARG A 1 65 ? 5.710 9.330 -0.332 1.00 0.00 ? 65 ARG A HG3 10 ATOM 14705 H HD2 . ARG A 1 65 ? 7.152 10.311 -1.896 1.00 0.00 ? 65 ARG A HD2 10 ATOM 14706 H HD3 . ARG A 1 65 ? 6.339 11.671 -1.124 1.00 0.00 ? 65 ARG A HD3 10 ATOM 14707 H HE . ARG A 1 65 ? 8.368 12.378 -0.365 1.00 0.00 ? 65 ARG A HE 10 ATOM 14708 H HH11 . ARG A 1 65 ? 8.596 8.995 -1.157 1.00 0.00 ? 65 ARG A HH11 10 ATOM 14709 H HH12 . ARG A 1 65 ? 10.302 8.909 -0.870 1.00 0.00 ? 65 ARG A HH12 10 ATOM 14710 H HH21 . ARG A 1 65 ? 10.615 12.278 0.015 1.00 0.00 ? 65 ARG A HH21 10 ATOM 14711 H HH22 . ARG A 1 65 ? 11.450 10.777 -0.203 1.00 0.00 ? 65 ARG A HH22 10 ATOM 14712 N N . ASP A 1 66 ? 6.500 9.045 3.761 1.00 0.00 ? 66 ASP A N 10 ATOM 14713 C CA . ASP A 1 66 ? 7.239 8.017 4.483 1.00 0.00 ? 66 ASP A CA 10 ATOM 14714 C C . ASP A 1 66 ? 6.400 6.753 4.640 1.00 0.00 ? 66 ASP A C 10 ATOM 14715 O O . ASP A 1 66 ? 6.760 5.690 4.134 1.00 0.00 ? 66 ASP A O 10 ATOM 14716 C CB . ASP A 1 66 ? 7.664 8.535 5.858 1.00 0.00 ? 66 ASP A CB 10 ATOM 14717 C CG . ASP A 1 66 ? 8.386 7.482 6.676 1.00 0.00 ? 66 ASP A CG 10 ATOM 14718 O OD1 . ASP A 1 66 ? 9.355 6.890 6.158 1.00 0.00 ? 66 ASP A OD1 10 ATOM 14719 O OD2 . ASP A 1 66 ? 7.981 7.250 7.835 1.00 0.00 ? 66 ASP A OD2 10 ATOM 14720 H H . ASP A 1 66 ? 6.634 9.987 3.998 1.00 0.00 ? 66 ASP A H 10 ATOM 14721 H HA . ASP A 1 66 ? 8.122 7.779 3.910 1.00 0.00 ? 66 ASP A HA 10 ATOM 14722 H HB2 . ASP A 1 66 ? 8.326 9.379 5.728 1.00 0.00 ? 66 ASP A HB2 10 ATOM 14723 H HB3 . ASP A 1 66 ? 6.787 8.851 6.403 1.00 0.00 ? 66 ASP A HB3 10 ATOM 14724 N N . SER A 1 67 ? 5.280 6.876 5.345 1.00 0.00 ? 67 SER A N 10 ATOM 14725 C CA . SER A 1 67 ? 4.392 5.742 5.573 1.00 0.00 ? 67 SER A CA 10 ATOM 14726 C C . SER A 1 67 ? 4.035 5.059 4.256 1.00 0.00 ? 67 SER A C 10 ATOM 14727 O O . SER A 1 67 ? 4.281 3.865 4.076 1.00 0.00 ? 67 SER A O 10 ATOM 14728 C CB . SER A 1 67 ? 3.118 6.200 6.285 1.00 0.00 ? 67 SER A CB 10 ATOM 14729 O OG . SER A 1 67 ? 3.423 7.008 7.408 1.00 0.00 ? 67 SER A OG 10 ATOM 14730 H H . SER A 1 67 ? 5.047 7.749 5.723 1.00 0.00 ? 67 SER A H 10 ATOM 14731 H HA . SER A 1 67 ? 4.911 5.035 6.202 1.00 0.00 ? 67 SER A HA 10 ATOM 14732 H HB2 . SER A 1 67 ? 2.511 6.772 5.599 1.00 0.00 ? 67 SER A HB2 10 ATOM 14733 H HB3 . SER A 1 67 ? 2.564 5.334 6.619 1.00 0.00 ? 67 SER A HB3 10 ATOM 14734 H HG . SER A 1 67 ? 3.211 6.532 8.213 1.00 0.00 ? 67 SER A HG 10 ATOM 14735 N N . HIS A 1 68 ? 3.452 5.824 3.338 1.00 0.00 ? 68 HIS A N 10 ATOM 14736 C CA . HIS A 1 68 ? 3.061 5.294 2.037 1.00 0.00 ? 68 HIS A CA 10 ATOM 14737 C C . HIS A 1 68 ? 4.094 4.294 1.525 1.00 0.00 ? 68 HIS A C 10 ATOM 14738 O O . HIS A 1 68 ? 3.767 3.388 0.759 1.00 0.00 ? 68 HIS A O 10 ATOM 14739 C CB . HIS A 1 68 ? 2.891 6.431 1.029 1.00 0.00 ? 68 HIS A CB 10 ATOM 14740 C CG . HIS A 1 68 ? 1.530 7.054 1.054 1.00 0.00 ? 68 HIS A CG 10 ATOM 14741 N ND1 . HIS A 1 68 ? 0.420 6.461 0.489 1.00 0.00 ? 68 HIS A ND1 10 ATOM 14742 C CD2 . HIS A 1 68 ? 1.102 8.226 1.581 1.00 0.00 ? 68 HIS A CD2 10 ATOM 14743 C CE1 . HIS A 1 68 ? -0.631 7.242 0.666 1.00 0.00 ? 68 HIS A CE1 10 ATOM 14744 N NE2 . HIS A 1 68 ? -0.245 8.318 1.326 1.00 0.00 ? 68 HIS A NE2 10 ATOM 14745 H H . HIS A 1 68 ? 3.283 6.767 3.541 1.00 0.00 ? 68 HIS A H 10 ATOM 14746 H HA . HIS A 1 68 ? 2.116 4.786 2.156 1.00 0.00 ? 68 HIS A HA 10 ATOM 14747 H HB2 . HIS A 1 68 ? 3.614 7.204 1.245 1.00 0.00 ? 68 HIS A HB2 10 ATOM 14748 H HB3 . HIS A 1 68 ? 3.065 6.050 0.033 1.00 0.00 ? 68 HIS A HB3 10 ATOM 14749 H HD1 . HIS A 1 68 ? 0.406 5.598 0.027 1.00 0.00 ? 68 HIS A HD1 10 ATOM 14750 H HD2 . HIS A 1 68 ? 1.706 8.953 2.104 1.00 0.00 ? 68 HIS A HD2 10 ATOM 14751 H HE1 . HIS A 1 68 ? -1.636 7.035 0.330 1.00 0.00 ? 68 HIS A HE1 10 ATOM 14752 H HE2 . HIS A 1 68 ? -0.808 9.098 1.514 1.00 0.00 ? 68 HIS A HE2 10 ATOM 14753 N N . MET A 1 69 ? 5.340 4.467 1.953 1.00 0.00 ? 69 MET A N 10 ATOM 14754 C CA . MET A 1 69 ? 6.420 3.579 1.537 1.00 0.00 ? 69 MET A CA 10 ATOM 14755 C C . MET A 1 69 ? 6.669 2.498 2.584 1.00 0.00 ? 69 MET A C 10 ATOM 14756 O O . MET A 1 69 ? 6.910 1.338 2.250 1.00 0.00 ? 69 MET A O 10 ATOM 14757 C CB . MET A 1 69 ? 7.702 4.378 1.297 1.00 0.00 ? 69 MET A CB 10 ATOM 14758 C CG . MET A 1 69 ? 7.710 5.132 -0.023 1.00 0.00 ? 69 MET A CG 10 ATOM 14759 S SD . MET A 1 69 ? 8.442 4.176 -1.365 1.00 0.00 ? 69 MET A SD 10 ATOM 14760 C CE . MET A 1 69 ? 7.774 2.549 -1.024 1.00 0.00 ? 69 MET A CE 10 ATOM 14761 H H . MET A 1 69 ? 5.539 5.207 2.563 1.00 0.00 ? 69 MET A H 10 ATOM 14762 H HA . MET A 1 69 ? 6.123 3.106 0.613 1.00 0.00 ? 69 MET A HA 10 ATOM 14763 H HB2 . MET A 1 69 ? 7.821 5.094 2.097 1.00 0.00 ? 69 MET A HB2 10 ATOM 14764 H HB3 . MET A 1 69 ? 8.542 3.700 1.304 1.00 0.00 ? 69 MET A HB3 10 ATOM 14765 H HG2 . MET A 1 69 ? 6.693 5.378 -0.289 1.00 0.00 ? 69 MET A HG2 10 ATOM 14766 H HG3 . MET A 1 69 ? 8.277 6.043 0.103 1.00 0.00 ? 69 MET A HG3 10 ATOM 14767 H HE1 . MET A 1 69 ? 8.254 1.822 -1.663 1.00 0.00 ? 69 MET A HE1 10 ATOM 14768 H HE2 . MET A 1 69 ? 7.955 2.295 0.010 1.00 0.00 ? 69 MET A HE2 10 ATOM 14769 H HE3 . MET A 1 69 ? 6.711 2.550 -1.215 1.00 0.00 ? 69 MET A HE3 10 ATOM 14770 N N . LYS A 1 70 ? 6.610 2.887 3.854 1.00 0.00 ? 70 LYS A N 10 ATOM 14771 C CA . LYS A 1 70 ? 6.828 1.951 4.951 1.00 0.00 ? 70 LYS A CA 10 ATOM 14772 C C . LYS A 1 70 ? 5.917 0.736 4.820 1.00 0.00 ? 70 LYS A C 10 ATOM 14773 O O . LYS A 1 70 ? 6.317 -0.387 5.124 1.00 0.00 ? 70 LYS A O 10 ATOM 14774 C CB . LYS A 1 70 ? 6.583 2.643 6.294 1.00 0.00 ? 70 LYS A CB 10 ATOM 14775 C CG . LYS A 1 70 ? 5.150 2.530 6.784 1.00 0.00 ? 70 LYS A CG 10 ATOM 14776 C CD . LYS A 1 70 ? 4.994 3.094 8.186 1.00 0.00 ? 70 LYS A CD 10 ATOM 14777 C CE . LYS A 1 70 ? 5.411 2.083 9.244 1.00 0.00 ? 70 LYS A CE 10 ATOM 14778 N NZ . LYS A 1 70 ? 5.560 2.713 10.585 1.00 0.00 ? 70 LYS A NZ 10 ATOM 14779 H H . LYS A 1 70 ? 6.415 3.825 4.058 1.00 0.00 ? 70 LYS A H 10 ATOM 14780 H HA . LYS A 1 70 ? 7.856 1.622 4.908 1.00 0.00 ? 70 LYS A HA 10 ATOM 14781 H HB2 . LYS A 1 70 ? 7.232 2.201 7.037 1.00 0.00 ? 70 LYS A HB2 10 ATOM 14782 H HB3 . LYS A 1 70 ? 6.826 3.692 6.195 1.00 0.00 ? 70 LYS A HB3 10 ATOM 14783 H HG2 . LYS A 1 70 ? 4.506 3.078 6.113 1.00 0.00 ? 70 LYS A HG2 10 ATOM 14784 H HG3 . LYS A 1 70 ? 4.863 1.488 6.791 1.00 0.00 ? 70 LYS A HG3 10 ATOM 14785 H HD2 . LYS A 1 70 ? 5.612 3.974 8.282 1.00 0.00 ? 70 LYS A HD2 10 ATOM 14786 H HD3 . LYS A 1 70 ? 3.958 3.361 8.344 1.00 0.00 ? 70 LYS A HD3 10 ATOM 14787 H HE2 . LYS A 1 70 ? 4.661 1.310 9.300 1.00 0.00 ? 70 LYS A HE2 10 ATOM 14788 H HE3 . LYS A 1 70 ? 6.356 1.648 8.953 1.00 0.00 ? 70 LYS A HE3 10 ATOM 14789 H HZ1 . LYS A 1 70 ? 6.458 2.420 11.020 1.00 0.00 ? 70 LYS A HZ1 10 ATOM 14790 H HZ2 . LYS A 1 70 ? 4.777 2.422 11.205 1.00 0.00 ? 70 LYS A HZ2 10 ATOM 14791 H HZ3 . LYS A 1 70 ? 5.552 3.749 10.497 1.00 0.00 ? 70 LYS A HZ3 10 ATOM 14792 N N . GLN A 1 71 ? 4.690 0.969 4.363 1.00 0.00 ? 71 GLN A N 10 ATOM 14793 C CA . GLN A 1 71 ? 3.723 -0.109 4.191 1.00 0.00 ? 71 GLN A CA 10 ATOM 14794 C C . GLN A 1 71 ? 4.121 -1.018 3.034 1.00 0.00 ? 71 GLN A C 10 ATOM 14795 O O . GLN A 1 71 ? 4.150 -2.242 3.173 1.00 0.00 ? 71 GLN A O 10 ATOM 14796 C CB . GLN A 1 71 ? 2.326 0.466 3.947 1.00 0.00 ? 71 GLN A CB 10 ATOM 14797 C CG . GLN A 1 71 ? 1.596 0.854 5.222 1.00 0.00 ? 71 GLN A CG 10 ATOM 14798 C CD . GLN A 1 71 ? 1.661 -0.227 6.284 1.00 0.00 ? 71 GLN A CD 10 ATOM 14799 O OE1 . GLN A 1 71 ? 2.057 0.027 7.422 1.00 0.00 ? 71 GLN A OE1 10 ATOM 14800 N NE2 . GLN A 1 71 ? 1.271 -1.442 5.916 1.00 0.00 ? 71 GLN A NE2 10 ATOM 14801 H H . GLN A 1 71 ? 4.430 1.885 4.138 1.00 0.00 ? 71 GLN A H 10 ATOM 14802 H HA . GLN A 1 71 ? 3.708 -0.690 5.101 1.00 0.00 ? 71 GLN A HA 10 ATOM 14803 H HB2 . GLN A 1 71 ? 2.415 1.345 3.327 1.00 0.00 ? 71 GLN A HB2 10 ATOM 14804 H HB3 . GLN A 1 71 ? 1.732 -0.272 3.428 1.00 0.00 ? 71 GLN A HB3 10 ATOM 14805 H HG2 . GLN A 1 71 ? 2.043 1.753 5.619 1.00 0.00 ? 71 GLN A HG2 10 ATOM 14806 H HG3 . GLN A 1 71 ? 0.560 1.043 4.985 1.00 0.00 ? 71 GLN A HG3 10 ATOM 14807 H HE21 . GLN A 1 71 ? 0.969 -1.571 4.992 1.00 0.00 ? 71 GLN A HE21 10 ATOM 14808 H HE22 . GLN A 1 71 ? 1.304 -2.160 6.581 1.00 0.00 ? 71 GLN A HE22 10 ATOM 14809 N N . LEU A 1 72 ? 4.426 -0.413 1.891 1.00 0.00 ? 72 LEU A N 10 ATOM 14810 C CA . LEU A 1 72 ? 4.823 -1.169 0.708 1.00 0.00 ? 72 LEU A CA 10 ATOM 14811 C C . LEU A 1 72 ? 5.868 -2.223 1.059 1.00 0.00 ? 72 LEU A C 10 ATOM 14812 O O . LEU A 1 72 ? 5.677 -3.412 0.801 1.00 0.00 ? 72 LEU A O 10 ATOM 14813 C CB . LEU A 1 72 ? 5.373 -0.226 -0.363 1.00 0.00 ? 72 LEU A CB 10 ATOM 14814 C CG . LEU A 1 72 ? 6.126 -0.887 -1.518 1.00 0.00 ? 72 LEU A CG 10 ATOM 14815 C CD1 . LEU A 1 72 ? 5.324 -2.050 -2.081 1.00 0.00 ? 72 LEU A CD1 10 ATOM 14816 C CD2 . LEU A 1 72 ? 6.432 0.130 -2.608 1.00 0.00 ? 72 LEU A CD2 10 ATOM 14817 H H . LEU A 1 72 ? 4.384 0.564 1.840 1.00 0.00 ? 72 LEU A H 10 ATOM 14818 H HA . LEU A 1 72 ? 3.944 -1.665 0.322 1.00 0.00 ? 72 LEU A HA 10 ATOM 14819 H HB2 . LEU A 1 72 ? 4.543 0.322 -0.781 1.00 0.00 ? 72 LEU A HB2 10 ATOM 14820 H HB3 . LEU A 1 72 ? 6.050 0.464 0.121 1.00 0.00 ? 72 LEU A HB3 10 ATOM 14821 H HG . LEU A 1 72 ? 7.065 -1.278 -1.151 1.00 0.00 ? 72 LEU A HG 10 ATOM 14822 H HD11 . LEU A 1 72 ? 5.035 -2.711 -1.278 1.00 0.00 ? 72 LEU A HD11 10 ATOM 14823 H HD12 . LEU A 1 72 ? 5.928 -2.592 -2.794 1.00 0.00 ? 72 LEU A HD12 10 ATOM 14824 H HD13 . LEU A 1 72 ? 4.440 -1.672 -2.573 1.00 0.00 ? 72 LEU A HD13 10 ATOM 14825 H HD21 . LEU A 1 72 ? 6.031 -0.220 -3.548 1.00 0.00 ? 72 LEU A HD21 10 ATOM 14826 H HD22 . LEU A 1 72 ? 7.502 0.252 -2.696 1.00 0.00 ? 72 LEU A HD22 10 ATOM 14827 H HD23 . LEU A 1 72 ? 5.980 1.077 -2.353 1.00 0.00 ? 72 LEU A HD23 10 ATOM 14828 N N . LEU A 1 73 ? 6.971 -1.780 1.652 1.00 0.00 ? 73 LEU A N 10 ATOM 14829 C CA . LEU A 1 73 ? 8.046 -2.685 2.042 1.00 0.00 ? 73 LEU A CA 10 ATOM 14830 C C . LEU A 1 73 ? 7.545 -3.730 3.034 1.00 0.00 ? 73 LEU A C 10 ATOM 14831 O O . LEU A 1 73 ? 8.045 -4.855 3.072 1.00 0.00 ? 73 LEU A O 10 ATOM 14832 C CB . LEU A 1 73 ? 9.205 -1.897 2.656 1.00 0.00 ? 73 LEU A CB 10 ATOM 14833 C CG . LEU A 1 73 ? 9.554 -0.575 1.972 1.00 0.00 ? 73 LEU A CG 10 ATOM 14834 C CD1 . LEU A 1 73 ? 10.789 0.044 2.607 1.00 0.00 ? 73 LEU A CD1 10 ATOM 14835 C CD2 . LEU A 1 73 ? 9.768 -0.786 0.480 1.00 0.00 ? 73 LEU A CD2 10 ATOM 14836 H H . LEU A 1 73 ? 7.065 -0.821 1.832 1.00 0.00 ? 73 LEU A H 10 ATOM 14837 H HA . LEU A 1 73 ? 8.395 -3.188 1.153 1.00 0.00 ? 73 LEU A HA 10 ATOM 14838 H HB2 . LEU A 1 73 ? 8.951 -1.682 3.682 1.00 0.00 ? 73 LEU A HB2 10 ATOM 14839 H HB3 . LEU A 1 73 ? 10.083 -2.527 2.628 1.00 0.00 ? 73 LEU A HB3 10 ATOM 14840 H HG . LEU A 1 73 ? 8.732 0.116 2.099 1.00 0.00 ? 73 LEU A HG 10 ATOM 14841 H HD11 . LEU A 1 73 ? 10.976 -0.423 3.562 1.00 0.00 ? 73 LEU A HD11 10 ATOM 14842 H HD12 . LEU A 1 73 ? 10.628 1.103 2.750 1.00 0.00 ? 73 LEU A HD12 10 ATOM 14843 H HD13 . LEU A 1 73 ? 11.641 -0.105 1.959 1.00 0.00 ? 73 LEU A HD13 10 ATOM 14844 H HD21 . LEU A 1 73 ? 8.974 -1.404 0.087 1.00 0.00 ? 73 LEU A HD21 10 ATOM 14845 H HD22 . LEU A 1 73 ? 10.718 -1.274 0.319 1.00 0.00 ? 73 LEU A HD22 10 ATOM 14846 H HD23 . LEU A 1 73 ? 9.763 0.170 -0.022 1.00 0.00 ? 73 LEU A HD23 10 ATOM 14847 N N . LEU A 1 74 ? 6.554 -3.352 3.834 1.00 0.00 ? 74 LEU A N 10 ATOM 14848 C CA . LEU A 1 74 ? 5.983 -4.257 4.825 1.00 0.00 ? 74 LEU A CA 10 ATOM 14849 C C . LEU A 1 74 ? 5.090 -5.300 4.160 1.00 0.00 ? 74 LEU A C 10 ATOM 14850 O O . LEU A 1 74 ? 4.993 -6.436 4.625 1.00 0.00 ? 74 LEU A O 10 ATOM 14851 C CB . LEU A 1 74 ? 5.181 -3.469 5.862 1.00 0.00 ? 74 LEU A CB 10 ATOM 14852 C CG . LEU A 1 74 ? 5.964 -2.966 7.076 1.00 0.00 ? 74 LEU A CG 10 ATOM 14853 C CD1 . LEU A 1 74 ? 5.109 -2.024 7.909 1.00 0.00 ? 74 LEU A CD1 10 ATOM 14854 C CD2 . LEU A 1 74 ? 6.449 -4.136 7.919 1.00 0.00 ? 74 LEU A CD2 10 ATOM 14855 H H . LEU A 1 74 ? 6.198 -2.443 3.757 1.00 0.00 ? 74 LEU A H 10 ATOM 14856 H HA . LEU A 1 74 ? 6.798 -4.763 5.321 1.00 0.00 ? 74 LEU A HA 10 ATOM 14857 H HB2 . LEU A 1 74 ? 4.753 -2.611 5.366 1.00 0.00 ? 74 LEU A HB2 10 ATOM 14858 H HB3 . LEU A 1 74 ? 4.387 -4.109 6.221 1.00 0.00 ? 74 LEU A HB3 10 ATOM 14859 H HG . LEU A 1 74 ? 6.830 -2.417 6.734 1.00 0.00 ? 74 LEU A HG 10 ATOM 14860 H HD11 . LEU A 1 74 ? 5.698 -1.630 8.723 1.00 0.00 ? 74 LEU A HD11 10 ATOM 14861 H HD12 . LEU A 1 74 ? 4.261 -2.563 8.305 1.00 0.00 ? 74 LEU A HD12 10 ATOM 14862 H HD13 . LEU A 1 74 ? 4.761 -1.211 7.289 1.00 0.00 ? 74 LEU A HD13 10 ATOM 14863 H HD21 . LEU A 1 74 ? 7.055 -3.765 8.733 1.00 0.00 ? 74 LEU A HD21 10 ATOM 14864 H HD22 . LEU A 1 74 ? 7.039 -4.802 7.306 1.00 0.00 ? 74 LEU A HD22 10 ATOM 14865 H HD23 . LEU A 1 74 ? 5.599 -4.670 8.317 1.00 0.00 ? 74 LEU A HD23 10 ATOM 14866 N N . ILE A 1 75 ? 4.442 -4.906 3.069 1.00 0.00 ? 75 ILE A N 10 ATOM 14867 C CA . ILE A 1 75 ? 3.560 -5.808 2.338 1.00 0.00 ? 75 ILE A CA 10 ATOM 14868 C C . ILE A 1 75 ? 4.360 -6.793 1.492 1.00 0.00 ? 75 ILE A C 10 ATOM 14869 O O . ILE A 1 75 ? 4.096 -7.995 1.507 1.00 0.00 ? 75 ILE A O 10 ATOM 14870 C CB . ILE A 1 75 ? 2.592 -5.032 1.425 1.00 0.00 ? 75 ILE A CB 10 ATOM 14871 C CG1 . ILE A 1 75 ? 1.731 -4.076 2.254 1.00 0.00 ? 75 ILE A CG1 10 ATOM 14872 C CG2 . ILE A 1 75 ? 1.717 -5.996 0.639 1.00 0.00 ? 75 ILE A CG2 10 ATOM 14873 C CD1 . ILE A 1 75 ? 0.942 -3.094 1.417 1.00 0.00 ? 75 ILE A CD1 10 ATOM 14874 H H . ILE A 1 75 ? 4.560 -3.988 2.747 1.00 0.00 ? 75 ILE A H 10 ATOM 14875 H HA . ILE A 1 75 ? 2.977 -6.361 3.060 1.00 0.00 ? 75 ILE A HA 10 ATOM 14876 H HB . ILE A 1 75 ? 3.177 -4.459 0.722 1.00 0.00 ? 75 ILE A HB 10 ATOM 14877 H HG12 . ILE A 1 75 ? 1.030 -4.650 2.840 1.00 0.00 ? 75 ILE A HG12 10 ATOM 14878 H HG13 . ILE A 1 75 ? 2.370 -3.511 2.917 1.00 0.00 ? 75 ILE A HG13 10 ATOM 14879 H HG21 . ILE A 1 75 ? 2.080 -6.067 -0.375 1.00 0.00 ? 75 ILE A HG21 10 ATOM 14880 H HG22 . ILE A 1 75 ? 1.752 -6.971 1.102 1.00 0.00 ? 75 ILE A HG22 10 ATOM 14881 H HG23 . ILE A 1 75 ? 0.699 -5.636 0.634 1.00 0.00 ? 75 ILE A HG23 10 ATOM 14882 H HD11 . ILE A 1 75 ? 1.306 -3.113 0.400 1.00 0.00 ? 75 ILE A HD11 10 ATOM 14883 H HD12 . ILE A 1 75 ? -0.103 -3.364 1.432 1.00 0.00 ? 75 ILE A HD12 10 ATOM 14884 H HD13 . ILE A 1 75 ? 1.062 -2.099 1.822 1.00 0.00 ? 75 ILE A HD13 10 ATOM 14885 N N . GLN A 1 76 ? 5.338 -6.274 0.756 1.00 0.00 ? 76 GLN A N 10 ATOM 14886 C CA . GLN A 1 76 ? 6.177 -7.109 -0.096 1.00 0.00 ? 76 GLN A CA 10 ATOM 14887 C C . GLN A 1 76 ? 6.657 -8.345 0.657 1.00 0.00 ? 76 GLN A C 10 ATOM 14888 O O . GLN A 1 76 ? 6.496 -9.471 0.186 1.00 0.00 ? 76 GLN A O 10 ATOM 14889 C CB . GLN A 1 76 ? 7.377 -6.309 -0.606 1.00 0.00 ? 76 GLN A CB 10 ATOM 14890 C CG . GLN A 1 76 ? 7.083 -5.505 -1.862 1.00 0.00 ? 76 GLN A CG 10 ATOM 14891 C CD . GLN A 1 76 ? 8.342 -5.081 -2.591 1.00 0.00 ? 76 GLN A CD 10 ATOM 14892 O OE1 . GLN A 1 76 ? 8.946 -5.867 -3.321 1.00 0.00 ? 76 GLN A OE1 10 ATOM 14893 N NE2 . GLN A 1 76 ? 8.747 -3.830 -2.397 1.00 0.00 ? 76 GLN A NE2 10 ATOM 14894 H H . GLN A 1 76 ? 5.498 -5.309 0.787 1.00 0.00 ? 76 GLN A H 10 ATOM 14895 H HA . GLN A 1 76 ? 5.582 -7.424 -0.939 1.00 0.00 ? 76 GLN A HA 10 ATOM 14896 H HB2 . GLN A 1 76 ? 7.694 -5.626 0.168 1.00 0.00 ? 76 GLN A HB2 10 ATOM 14897 H HB3 . GLN A 1 76 ? 8.184 -6.993 -0.824 1.00 0.00 ? 76 GLN A HB3 10 ATOM 14898 H HG2 . GLN A 1 76 ? 6.485 -6.108 -2.529 1.00 0.00 ? 76 GLN A HG2 10 ATOM 14899 H HG3 . GLN A 1 76 ? 6.529 -4.620 -1.585 1.00 0.00 ? 76 GLN A HG3 10 ATOM 14900 H HE21 . GLN A 1 76 ? 8.217 -3.260 -1.801 1.00 0.00 ? 76 GLN A HE21 10 ATOM 14901 H HE22 . GLN A 1 76 ? 9.558 -3.530 -2.856 1.00 0.00 ? 76 GLN A HE22 10 ATOM 14902 N N . GLU A 1 77 ? 7.248 -8.127 1.827 1.00 0.00 ? 77 GLU A N 10 ATOM 14903 C CA . GLU A 1 77 ? 7.752 -9.225 2.644 1.00 0.00 ? 77 GLU A CA 10 ATOM 14904 C C . GLU A 1 77 ? 6.619 -10.158 3.062 1.00 0.00 ? 77 GLU A C 10 ATOM 14905 O O . GLU A 1 77 ? 6.679 -11.366 2.834 1.00 0.00 ? 77 GLU A O 10 ATOM 14906 C CB . GLU A 1 77 ? 8.465 -8.682 3.884 1.00 0.00 ? 77 GLU A CB 10 ATOM 14907 C CG . GLU A 1 77 ? 7.568 -7.849 4.785 1.00 0.00 ? 77 GLU A CG 10 ATOM 14908 C CD . GLU A 1 77 ? 8.347 -7.091 5.842 1.00 0.00 ? 77 GLU A CD 10 ATOM 14909 O OE1 . GLU A 1 77 ? 9.377 -6.476 5.495 1.00 0.00 ? 77 GLU A OE1 10 ATOM 14910 O OE2 . GLU A 1 77 ? 7.926 -7.112 7.018 1.00 0.00 ? 77 GLU A OE2 10 ATOM 14911 H H . GLU A 1 77 ? 7.347 -7.207 2.149 1.00 0.00 ? 77 GLU A H 10 ATOM 14912 H HA . GLU A 1 77 ? 8.460 -9.783 2.049 1.00 0.00 ? 77 GLU A HA 10 ATOM 14913 H HB2 . GLU A 1 77 ? 8.846 -9.514 4.459 1.00 0.00 ? 77 GLU A HB2 10 ATOM 14914 H HB3 . GLU A 1 77 ? 9.293 -8.066 3.567 1.00 0.00 ? 77 GLU A HB3 10 ATOM 14915 H HG2 . GLU A 1 77 ? 7.030 -7.138 4.177 1.00 0.00 ? 77 GLU A HG2 10 ATOM 14916 H HG3 . GLU A 1 77 ? 6.865 -8.505 5.278 1.00 0.00 ? 77 GLU A HG3 10 ATOM 14917 N N . ARG A 1 78 ? 5.588 -9.587 3.676 1.00 0.00 ? 78 ARG A N 10 ATOM 14918 C CA . ARG A 1 78 ? 4.441 -10.367 4.128 1.00 0.00 ? 78 ARG A CA 10 ATOM 14919 C C . ARG A 1 78 ? 3.857 -11.188 2.983 1.00 0.00 ? 78 ARG A C 10 ATOM 14920 O O . ARG A 1 78 ? 3.069 -12.108 3.205 1.00 0.00 ? 78 ARG A O 10 ATOM 14921 C CB . ARG A 1 78 ? 3.368 -9.445 4.709 1.00 0.00 ? 78 ARG A CB 10 ATOM 14922 C CG . ARG A 1 78 ? 3.750 -8.831 6.046 1.00 0.00 ? 78 ARG A CG 10 ATOM 14923 C CD . ARG A 1 78 ? 3.546 -9.813 7.188 1.00 0.00 ? 78 ARG A CD 10 ATOM 14924 N NE . ARG A 1 78 ? 2.133 -9.991 7.512 1.00 0.00 ? 78 ARG A NE 10 ATOM 14925 C CZ . ARG A 1 78 ? 1.659 -11.033 8.185 1.00 0.00 ? 78 ARG A CZ 10 ATOM 14926 N NH1 . ARG A 1 78 ? 2.480 -11.987 8.602 1.00 0.00 ? 78 ARG A NH1 10 ATOM 14927 N NH2 . ARG A 1 78 ? 0.360 -11.124 8.441 1.00 0.00 ? 78 ARG A NH2 10 ATOM 14928 H H . ARG A 1 78 ? 5.598 -8.619 3.830 1.00 0.00 ? 78 ARG A H 10 ATOM 14929 H HA . ARG A 1 78 ? 4.782 -11.040 4.901 1.00 0.00 ? 78 ARG A HA 10 ATOM 14930 H HB2 . ARG A 1 78 ? 3.182 -8.643 4.009 1.00 0.00 ? 78 ARG A HB2 10 ATOM 14931 H HB3 . ARG A 1 78 ? 2.459 -10.011 4.844 1.00 0.00 ? 78 ARG A HB3 10 ATOM 14932 H HG2 . ARG A 1 78 ? 4.790 -8.543 6.015 1.00 0.00 ? 78 ARG A HG2 10 ATOM 14933 H HG3 . ARG A 1 78 ? 3.137 -7.958 6.218 1.00 0.00 ? 78 ARG A HG3 10 ATOM 14934 H HD2 . ARG A 1 78 ? 3.963 -10.768 6.903 1.00 0.00 ? 78 ARG A HD2 10 ATOM 14935 H HD3 . ARG A 1 78 ? 4.062 -9.442 8.061 1.00 0.00 ? 78 ARG A HD3 10 ATOM 14936 H HE . ARG A 1 78 ? 1.508 -9.298 7.213 1.00 0.00 ? 78 ARG A HE 10 ATOM 14937 H HH11 . ARG A 1 78 ? 3.459 -11.920 8.412 1.00 0.00 ? 78 ARG A HH11 10 ATOM 14938 H HH12 . ARG A 1 78 ? 2.120 -12.770 9.110 1.00 0.00 ? 78 ARG A HH12 10 ATOM 14939 H HH21 . ARG A 1 78 ? -0.263 -10.407 8.127 1.00 0.00 ? 78 ARG A HH21 10 ATOM 14940 H HH22 . ARG A 1 78 ? 0.004 -11.909 8.946 1.00 0.00 ? 78 ARG A HH22 10 ATOM 14941 N N . TRP A 1 79 ? 4.247 -10.850 1.760 1.00 0.00 ? 79 TRP A N 10 ATOM 14942 C CA . TRP A 1 79 ? 3.761 -11.555 0.579 1.00 0.00 ? 79 TRP A CA 10 ATOM 14943 C C . TRP A 1 79 ? 4.678 -12.722 0.227 1.00 0.00 ? 79 TRP A C 10 ATOM 14944 O O . TRP A 1 79 ? 4.214 -13.828 -0.050 1.00 0.00 ? 79 TRP A O 10 ATOM 14945 C CB . TRP A 1 79 ? 3.657 -10.596 -0.607 1.00 0.00 ? 79 TRP A CB 10 ATOM 14946 C CG . TRP A 1 79 ? 3.080 -11.231 -1.836 1.00 0.00 ? 79 TRP A CG 10 ATOM 14947 C CD1 . TRP A 1 79 ? 2.209 -12.282 -1.883 1.00 0.00 ? 79 TRP A CD1 10 ATOM 14948 C CD2 . TRP A 1 79 ? 3.333 -10.856 -3.194 1.00 0.00 ? 79 TRP A CD2 10 ATOM 14949 N NE1 . TRP A 1 79 ? 1.907 -12.584 -3.189 1.00 0.00 ? 79 TRP A NE1 10 ATOM 14950 C CE2 . TRP A 1 79 ? 2.583 -11.723 -4.012 1.00 0.00 ? 79 TRP A CE2 10 ATOM 14951 C CE3 . TRP A 1 79 ? 4.120 -9.872 -3.799 1.00 0.00 ? 79 TRP A CE3 10 ATOM 14952 C CZ2 . TRP A 1 79 ? 2.598 -11.634 -5.402 1.00 0.00 ? 79 TRP A CZ2 10 ATOM 14953 C CZ3 . TRP A 1 79 ? 4.134 -9.785 -5.178 1.00 0.00 ? 79 TRP A CZ3 10 ATOM 14954 C CH2 . TRP A 1 79 ? 3.377 -10.661 -5.967 1.00 0.00 ? 79 TRP A CH2 10 ATOM 14955 H H . TRP A 1 79 ? 4.878 -10.107 1.647 1.00 0.00 ? 79 TRP A H 10 ATOM 14956 H HA . TRP A 1 79 ? 2.778 -11.941 0.806 1.00 0.00 ? 79 TRP A HA 10 ATOM 14957 H HB2 . TRP A 1 79 ? 3.026 -9.763 -0.334 1.00 0.00 ? 79 TRP A HB2 10 ATOM 14958 H HB3 . TRP A 1 79 ? 4.644 -10.230 -0.852 1.00 0.00 ? 79 TRP A HB3 10 ATOM 14959 H HD1 . TRP A 1 79 ? 1.825 -12.793 -1.013 1.00 0.00 ? 79 TRP A HD1 10 ATOM 14960 H HE1 . TRP A 1 79 ? 1.303 -13.299 -3.482 1.00 0.00 ? 79 TRP A HE1 10 ATOM 14961 H HE3 . TRP A 1 79 ? 4.710 -9.188 -3.207 1.00 0.00 ? 79 TRP A HE3 10 ATOM 14962 H HZ2 . TRP A 1 79 ? 2.020 -12.301 -6.024 1.00 0.00 ? 79 TRP A HZ2 10 ATOM 14963 H HZ3 . TRP A 1 79 ? 4.737 -9.031 -5.663 1.00 0.00 ? 79 TRP A HZ3 10 ATOM 14964 H HH2 . TRP A 1 79 ? 3.419 -10.557 -7.040 1.00 0.00 ? 79 TRP A HH2 10 ATOM 14965 N N . LYS A 1 80 ? 5.982 -12.468 0.238 1.00 0.00 ? 80 LYS A N 10 ATOM 14966 C CA . LYS A 1 80 ? 6.965 -13.497 -0.079 1.00 0.00 ? 80 LYS A CA 10 ATOM 14967 C C . LYS A 1 80 ? 6.784 -14.718 0.817 1.00 0.00 ? 80 LYS A C 10 ATOM 14968 O O . LYS A 1 80 ? 6.868 -15.856 0.357 1.00 0.00 ? 80 LYS A O 10 ATOM 14969 C CB . LYS A 1 80 ? 8.383 -12.943 0.077 1.00 0.00 ? 80 LYS A CB 10 ATOM 14970 C CG . LYS A 1 80 ? 8.963 -13.139 1.467 1.00 0.00 ? 80 LYS A CG 10 ATOM 14971 C CD . LYS A 1 80 ? 10.313 -12.456 1.609 1.00 0.00 ? 80 LYS A CD 10 ATOM 14972 C CE . LYS A 1 80 ? 10.950 -12.755 2.958 1.00 0.00 ? 80 LYS A CE 10 ATOM 14973 N NZ . LYS A 1 80 ? 12.325 -12.194 3.059 1.00 0.00 ? 80 LYS A NZ 10 ATOM 14974 H H . LYS A 1 80 ? 6.291 -11.566 0.466 1.00 0.00 ? 80 LYS A H 10 ATOM 14975 H HA . LYS A 1 80 ? 6.815 -13.794 -1.106 1.00 0.00 ? 80 LYS A HA 10 ATOM 14976 H HB2 . LYS A 1 80 ? 9.030 -13.436 -0.634 1.00 0.00 ? 80 LYS A HB2 10 ATOM 14977 H HB3 . LYS A 1 80 ? 8.368 -11.884 -0.138 1.00 0.00 ? 80 LYS A HB3 10 ATOM 14978 H HG2 . LYS A 1 80 ? 8.283 -12.722 2.194 1.00 0.00 ? 80 LYS A HG2 10 ATOM 14979 H HG3 . LYS A 1 80 ? 9.084 -14.197 1.650 1.00 0.00 ? 80 LYS A HG3 10 ATOM 14980 H HD2 . LYS A 1 80 ? 10.970 -12.809 0.828 1.00 0.00 ? 80 LYS A HD2 10 ATOM 14981 H HD3 . LYS A 1 80 ? 10.179 -11.388 1.513 1.00 0.00 ? 80 LYS A HD3 10 ATOM 14982 H HE2 . LYS A 1 80 ? 10.336 -12.324 3.734 1.00 0.00 ? 80 LYS A HE2 10 ATOM 14983 H HE3 . LYS A 1 80 ? 10.996 -13.826 3.090 1.00 0.00 ? 80 LYS A HE3 10 ATOM 14984 H HZ1 . LYS A 1 80 ? 12.500 -11.849 4.024 1.00 0.00 ? 80 LYS A HZ1 10 ATOM 14985 H HZ2 . LYS A 1 80 ? 12.438 -11.402 2.394 1.00 0.00 ? 80 LYS A HZ2 10 ATOM 14986 H HZ3 . LYS A 1 80 ? 13.028 -12.926 2.831 1.00 0.00 ? 80 LYS A HZ3 10 ATOM 14987 N N . ARG A 1 81 ? 6.533 -14.472 2.099 1.00 0.00 ? 81 ARG A N 10 ATOM 14988 C CA . ARG A 1 81 ? 6.339 -15.552 3.060 1.00 0.00 ? 81 ARG A CA 10 ATOM 14989 C C . ARG A 1 81 ? 5.290 -16.542 2.561 1.00 0.00 ? 81 ARG A C 10 ATOM 14990 O O . ARG A 1 81 ? 5.473 -17.755 2.657 1.00 0.00 ? 81 ARG A O 10 ATOM 14991 C CB . ARG A 1 81 ? 5.917 -14.986 4.417 1.00 0.00 ? 81 ARG A CB 10 ATOM 14992 C CG . ARG A 1 81 ? 7.064 -14.375 5.205 1.00 0.00 ? 81 ARG A CG 10 ATOM 14993 C CD . ARG A 1 81 ? 7.173 -12.878 4.960 1.00 0.00 ? 81 ARG A CD 10 ATOM 14994 N NE . ARG A 1 81 ? 7.688 -12.168 6.128 1.00 0.00 ? 81 ARG A NE 10 ATOM 14995 C CZ . ARG A 1 81 ? 7.037 -12.085 7.283 1.00 0.00 ? 81 ARG A CZ 10 ATOM 14996 N NH1 . ARG A 1 81 ? 5.853 -12.665 7.424 1.00 0.00 ? 81 ARG A NH1 10 ATOM 14997 N NH2 . ARG A 1 81 ? 7.570 -11.421 8.300 1.00 0.00 ? 81 ARG A NH2 10 ATOM 14998 H H . ARG A 1 81 ? 6.478 -13.543 2.407 1.00 0.00 ? 81 ARG A H 10 ATOM 14999 H HA . ARG A 1 81 ? 7.280 -16.069 3.173 1.00 0.00 ? 81 ARG A HA 10 ATOM 15000 H HB2 . ARG A 1 81 ? 5.171 -14.221 4.259 1.00 0.00 ? 81 ARG A HB2 10 ATOM 15001 H HB3 . ARG A 1 81 ? 5.487 -15.781 5.007 1.00 0.00 ? 81 ARG A HB3 10 ATOM 15002 H HG2 . ARG A 1 81 ? 6.895 -14.544 6.259 1.00 0.00 ? 81 ARG A HG2 10 ATOM 15003 H HG3 . ARG A 1 81 ? 7.987 -14.848 4.906 1.00 0.00 ? 81 ARG A HG3 10 ATOM 15004 H HD2 . ARG A 1 81 ? 7.840 -12.711 4.127 1.00 0.00 ? 81 ARG A HD2 10 ATOM 15005 H HD3 . ARG A 1 81 ? 6.193 -12.494 4.719 1.00 0.00 ? 81 ARG A HD3 10 ATOM 15006 H HE . ARG A 1 81 ? 8.561 -11.732 6.046 1.00 0.00 ? 81 ARG A HE 10 ATOM 15007 H HH11 . ARG A 1 81 ? 5.449 -13.167 6.659 1.00 0.00 ? 81 ARG A HH11 10 ATOM 15008 H HH12 . ARG A 1 81 ? 5.365 -12.602 8.295 1.00 0.00 ? 81 ARG A HH12 10 ATOM 15009 H HH21 . ARG A 1 81 ? 8.463 -10.982 8.198 1.00 0.00 ? 81 ARG A HH21 10 ATOM 15010 H HH22 . ARG A 1 81 ? 7.080 -11.359 9.169 1.00 0.00 ? 81 ARG A HH22 10 ATOM 15011 N N . ALA A 1 82 ? 4.193 -16.015 2.029 1.00 0.00 ? 82 ALA A N 10 ATOM 15012 C CA . ALA A 1 82 ? 3.116 -16.851 1.514 1.00 0.00 ? 82 ALA A CA 10 ATOM 15013 C C . ALA A 1 82 ? 3.587 -17.683 0.326 1.00 0.00 ? 82 ALA A C 10 ATOM 15014 O O . ALA A 1 82 ? 3.140 -18.813 0.129 1.00 0.00 ? 82 ALA A O 10 ATOM 15015 C CB . ALA A 1 82 ? 1.923 -15.993 1.120 1.00 0.00 ? 82 ALA A CB 10 ATOM 15016 H H . ALA A 1 82 ? 4.106 -15.040 1.980 1.00 0.00 ? 82 ALA A H 10 ATOM 15017 H HA . ALA A 1 82 ? 2.803 -17.518 2.305 1.00 0.00 ? 82 ALA A HA 10 ATOM 15018 H HB1 . ALA A 1 82 ? 1.838 -15.969 0.043 1.00 0.00 ? 82 ALA A HB1 10 ATOM 15019 H HB2 . ALA A 1 82 ? 1.023 -16.413 1.544 1.00 0.00 ? 82 ALA A HB2 10 ATOM 15020 H HB3 . ALA A 1 82 ? 2.063 -14.990 1.493 1.00 0.00 ? 82 ALA A HB3 10 ATOM 15021 N N . LYS A 1 83 ? 4.492 -17.116 -0.465 1.00 0.00 ? 83 LYS A N 10 ATOM 15022 C CA . LYS A 1 83 ? 5.025 -17.805 -1.635 1.00 0.00 ? 83 LYS A CA 10 ATOM 15023 C C . LYS A 1 83 ? 5.688 -19.119 -1.237 1.00 0.00 ? 83 LYS A C 10 ATOM 15024 O O . LYS A 1 83 ? 5.539 -20.132 -1.921 1.00 0.00 ? 83 LYS A O 10 ATOM 15025 C CB . LYS A 1 83 ? 6.033 -16.912 -2.362 1.00 0.00 ? 83 LYS A CB 10 ATOM 15026 C CG . LYS A 1 83 ? 5.448 -15.592 -2.834 1.00 0.00 ? 83 LYS A CG 10 ATOM 15027 C CD . LYS A 1 83 ? 4.577 -15.777 -4.065 1.00 0.00 ? 83 LYS A CD 10 ATOM 15028 C CE . LYS A 1 83 ? 4.592 -14.539 -4.949 1.00 0.00 ? 83 LYS A CE 10 ATOM 15029 N NZ . LYS A 1 83 ? 3.954 -14.793 -6.270 1.00 0.00 ? 83 LYS A NZ 10 ATOM 15030 H H . LYS A 1 83 ? 4.810 -16.212 -0.257 1.00 0.00 ? 83 LYS A H 10 ATOM 15031 H HA . LYS A 1 83 ? 4.201 -18.017 -2.299 1.00 0.00 ? 83 LYS A HA 10 ATOM 15032 H HB2 . LYS A 1 83 ? 6.855 -16.700 -1.694 1.00 0.00 ? 83 LYS A HB2 10 ATOM 15033 H HB3 . LYS A 1 83 ? 6.410 -17.444 -3.224 1.00 0.00 ? 83 LYS A HB3 10 ATOM 15034 H HG2 . LYS A 1 83 ? 4.847 -15.171 -2.041 1.00 0.00 ? 83 LYS A HG2 10 ATOM 15035 H HG3 . LYS A 1 83 ? 6.256 -14.916 -3.073 1.00 0.00 ? 83 LYS A HG3 10 ATOM 15036 H HD2 . LYS A 1 83 ? 4.948 -16.616 -4.635 1.00 0.00 ? 83 LYS A HD2 10 ATOM 15037 H HD3 . LYS A 1 83 ? 3.562 -15.972 -3.751 1.00 0.00 ? 83 LYS A HD3 10 ATOM 15038 H HE2 . LYS A 1 83 ? 4.057 -13.748 -4.446 1.00 0.00 ? 83 LYS A HE2 10 ATOM 15039 H HE3 . LYS A 1 83 ? 5.617 -14.237 -5.106 1.00 0.00 ? 83 LYS A HE3 10 ATOM 15040 H HZ1 . LYS A 1 83 ? 3.143 -14.154 -6.403 1.00 0.00 ? 83 LYS A HZ1 10 ATOM 15041 H HZ2 . LYS A 1 83 ? 3.618 -15.776 -6.322 1.00 0.00 ? 83 LYS A HZ2 10 ATOM 15042 H HZ3 . LYS A 1 83 ? 4.639 -14.631 -7.035 1.00 0.00 ? 83 LYS A HZ3 10 ATOM 15043 N N . ARG A 1 84 ? 6.418 -19.096 -0.127 1.00 0.00 ? 84 ARG A N 10 ATOM 15044 C CA . ARG A 1 84 ? 7.104 -20.287 0.361 1.00 0.00 ? 84 ARG A CA 10 ATOM 15045 C C . ARG A 1 84 ? 6.188 -21.110 1.262 1.00 0.00 ? 84 ARG A C 10 ATOM 15046 O O . ARG A 1 84 ? 6.240 -22.340 1.258 1.00 0.00 ? 84 ARG A O 10 ATOM 15047 C CB . ARG A 1 84 ? 8.370 -19.895 1.125 1.00 0.00 ? 84 ARG A CB 10 ATOM 15048 C CG . ARG A 1 84 ? 8.134 -18.845 2.198 1.00 0.00 ? 84 ARG A CG 10 ATOM 15049 C CD . ARG A 1 84 ? 9.285 -18.794 3.190 1.00 0.00 ? 84 ARG A CD 10 ATOM 15050 N NE . ARG A 1 84 ? 9.184 -19.843 4.201 1.00 0.00 ? 84 ARG A NE 10 ATOM 15051 C CZ . ARG A 1 84 ? 10.163 -20.145 5.047 1.00 0.00 ? 84 ARG A CZ 10 ATOM 15052 N NH1 . ARG A 1 84 ? 11.310 -19.481 5.004 1.00 0.00 ? 84 ARG A NH1 10 ATOM 15053 N NH2 . ARG A 1 84 ? 9.995 -21.113 5.939 1.00 0.00 ? 84 ARG A NH2 10 ATOM 15054 H H . ARG A 1 84 ? 6.500 -18.259 0.375 1.00 0.00 ? 84 ARG A H 10 ATOM 15055 H HA . ARG A 1 84 ? 7.380 -20.885 -0.494 1.00 0.00 ? 84 ARG A HA 10 ATOM 15056 H HB2 . ARG A 1 84 ? 8.778 -20.776 1.598 1.00 0.00 ? 84 ARG A HB2 10 ATOM 15057 H HB3 . ARG A 1 84 ? 9.093 -19.506 0.424 1.00 0.00 ? 84 ARG A HB3 10 ATOM 15058 H HG2 . ARG A 1 84 ? 8.036 -17.878 1.727 1.00 0.00 ? 84 ARG A HG2 10 ATOM 15059 H HG3 . ARG A 1 84 ? 7.224 -19.084 2.728 1.00 0.00 ? 84 ARG A HG3 10 ATOM 15060 H HD2 . ARG A 1 84 ? 10.213 -18.915 2.651 1.00 0.00 ? 84 ARG A HD2 10 ATOM 15061 H HD3 . ARG A 1 84 ? 9.278 -17.832 3.680 1.00 0.00 ? 84 ARG A HD3 10 ATOM 15062 H HE . ARG A 1 84 ? 8.345 -20.346 4.251 1.00 0.00 ? 84 ARG A HE 10 ATOM 15063 H HH11 . ARG A 1 84 ? 11.439 -18.751 4.333 1.00 0.00 ? 84 ARG A HH11 10 ATOM 15064 H HH12 . ARG A 1 84 ? 12.045 -19.710 5.643 1.00 0.00 ? 84 ARG A HH12 10 ATOM 15065 H HH21 . ARG A 1 84 ? 9.131 -21.615 5.975 1.00 0.00 ? 84 ARG A HH21 10 ATOM 15066 H HH22 . ARG A 1 84 ? 10.732 -21.340 6.575 1.00 0.00 ? 84 ARG A HH22 10 ATOM 15067 N N . GLU A 1 85 ? 5.351 -20.423 2.033 1.00 0.00 ? 85 GLU A N 10 ATOM 15068 C CA . GLU A 1 85 ? 4.425 -21.091 2.940 1.00 0.00 ? 85 GLU A CA 10 ATOM 15069 C C . GLU A 1 85 ? 3.349 -21.844 2.162 1.00 0.00 ? 85 GLU A C 10 ATOM 15070 O O . GLU A 1 85 ? 3.298 -23.073 2.185 1.00 0.00 ? 85 GLU A O 10 ATOM 15071 C CB . GLU A 1 85 ? 3.773 -20.074 3.880 1.00 0.00 ? 85 GLU A CB 10 ATOM 15072 C CG . GLU A 1 85 ? 4.760 -19.379 4.803 1.00 0.00 ? 85 GLU A CG 10 ATOM 15073 C CD . GLU A 1 85 ? 5.042 -20.175 6.062 1.00 0.00 ? 85 GLU A CD 10 ATOM 15074 O OE1 . GLU A 1 85 ? 4.072 -20.564 6.747 1.00 0.00 ? 85 GLU A OE1 10 ATOM 15075 O OE2 . GLU A 1 85 ? 6.231 -20.410 6.363 1.00 0.00 ? 85 GLU A OE2 10 ATOM 15076 H H . GLU A 1 85 ? 5.357 -19.444 1.992 1.00 0.00 ? 85 GLU A H 10 ATOM 15077 H HA . GLU A 1 85 ? 4.989 -21.800 3.527 1.00 0.00 ? 85 GLU A HA 10 ATOM 15078 H HB2 . GLU A 1 85 ? 3.274 -19.322 3.287 1.00 0.00 ? 85 GLU A HB2 10 ATOM 15079 H HB3 . GLU A 1 85 ? 3.041 -20.584 4.489 1.00 0.00 ? 85 GLU A HB3 10 ATOM 15080 H HG2 . GLU A 1 85 ? 5.689 -19.233 4.272 1.00 0.00 ? 85 GLU A HG2 10 ATOM 15081 H HG3 . GLU A 1 85 ? 4.354 -18.419 5.085 1.00 0.00 ? 85 GLU A HG3 10 ATOM 15082 N N . GLU A 1 86 ? 2.491 -21.095 1.475 1.00 0.00 ? 86 GLU A N 10 ATOM 15083 C CA . GLU A 1 86 ? 1.416 -21.692 0.692 1.00 0.00 ? 86 GLU A CA 10 ATOM 15084 C C . GLU A 1 86 ? 1.869 -23.002 0.055 1.00 0.00 ? 86 GLU A C 10 ATOM 15085 O O . GLU A 1 86 ? 1.113 -23.972 0.000 1.00 0.00 ? 86 GLU A O 10 ATOM 15086 C CB . GLU A 1 86 ? 0.946 -20.720 -0.393 1.00 0.00 ? 86 GLU A CB 10 ATOM 15087 C CG . GLU A 1 86 ? -0.411 -21.071 -0.978 1.00 0.00 ? 86 GLU A CG 10 ATOM 15088 C CD . GLU A 1 86 ? -0.914 -20.025 -1.954 1.00 0.00 ? 86 GLU A CD 10 ATOM 15089 O OE1 . GLU A 1 86 ? -0.550 -20.104 -3.146 1.00 0.00 ? 86 GLU A OE1 10 ATOM 15090 O OE2 . GLU A 1 86 ? -1.670 -19.128 -1.527 1.00 0.00 ? 86 GLU A OE2 10 ATOM 15091 H H . GLU A 1 86 ? 2.584 -20.120 1.497 1.00 0.00 ? 86 GLU A H 10 ATOM 15092 H HA . GLU A 1 86 ? 0.593 -21.896 1.360 1.00 0.00 ? 86 GLU A HA 10 ATOM 15093 H HB2 . GLU A 1 86 ? 0.888 -19.728 0.029 1.00 0.00 ? 86 GLU A HB2 10 ATOM 15094 H HB3 . GLU A 1 86 ? 1.670 -20.718 -1.195 1.00 0.00 ? 86 GLU A HB3 10 ATOM 15095 H HG2 . GLU A 1 86 ? -0.333 -22.016 -1.495 1.00 0.00 ? 86 GLU A HG2 10 ATOM 15096 H HG3 . GLU A 1 86 ? -1.124 -21.162 -0.172 1.00 0.00 ? 86 GLU A HG3 10 ATOM 15097 N N . ARG A 1 87 ? 3.108 -23.023 -0.426 1.00 0.00 ? 87 ARG A N 10 ATOM 15098 C CA . ARG A 1 87 ? 3.662 -24.213 -1.060 1.00 0.00 ? 87 ARG A CA 10 ATOM 15099 C C . ARG A 1 87 ? 3.868 -25.327 -0.039 1.00 0.00 ? 87 ARG A C 10 ATOM 15100 O O . ARG A 1 87 ? 3.478 -26.473 -0.268 1.00 0.00 ? 87 ARG A O 10 ATOM 15101 C CB . ARG A 1 87 ? 4.989 -23.881 -1.744 1.00 0.00 ? 87 ARG A CB 10 ATOM 15102 C CG . ARG A 1 87 ? 4.826 -23.238 -3.112 1.00 0.00 ? 87 ARG A CG 10 ATOM 15103 C CD . ARG A 1 87 ? 4.332 -24.241 -4.143 1.00 0.00 ? 87 ARG A CD 10 ATOM 15104 N NE . ARG A 1 87 ? 4.701 -23.856 -5.502 1.00 0.00 ? 87 ARG A NE 10 ATOM 15105 C CZ . ARG A 1 87 ? 4.378 -24.562 -6.580 1.00 0.00 ? 87 ARG A CZ 10 ATOM 15106 N NH1 . ARG A 1 87 ? 3.681 -25.683 -6.457 1.00 0.00 ? 87 ARG A NH1 10 ATOM 15107 N NH2 . ARG A 1 87 ? 4.750 -24.147 -7.783 1.00 0.00 ? 87 ARG A NH2 10 ATOM 15108 H H . ARG A 1 87 ? 3.663 -22.218 -0.352 1.00 0.00 ? 87 ARG A H 10 ATOM 15109 H HA . ARG A 1 87 ? 2.957 -24.549 -1.806 1.00 0.00 ? 87 ARG A HA 10 ATOM 15110 H HB2 . ARG A 1 87 ? 5.545 -23.200 -1.115 1.00 0.00 ? 87 ARG A HB2 10 ATOM 15111 H HB3 . ARG A 1 87 ? 5.556 -24.792 -1.863 1.00 0.00 ? 87 ARG A HB3 10 ATOM 15112 H HG2 . ARG A 1 87 ? 4.111 -22.433 -3.038 1.00 0.00 ? 87 ARG A HG2 10 ATOM 15113 H HG3 . ARG A 1 87 ? 5.781 -22.847 -3.431 1.00 0.00 ? 87 ARG A HG3 10 ATOM 15114 H HD2 . ARG A 1 87 ? 4.763 -25.206 -3.922 1.00 0.00 ? 87 ARG A HD2 10 ATOM 15115 H HD3 . ARG A 1 87 ? 3.256 -24.304 -4.076 1.00 0.00 ? 87 ARG A HD3 10 ATOM 15116 H HE . ARG A 1 87 ? 5.217 -23.031 -5.616 1.00 0.00 ? 87 ARG A HE 10 ATOM 15117 H HH11 . ARG A 1 87 ? 3.397 -25.998 -5.551 1.00 0.00 ? 87 ARG A HH11 10 ATOM 15118 H HH12 . ARG A 1 87 ? 3.437 -26.212 -7.270 1.00 0.00 ? 87 ARG A HH12 10 ATOM 15119 H HH21 . ARG A 1 87 ? 5.276 -23.302 -7.880 1.00 0.00 ? 87 ARG A HH21 10 ATOM 15120 H HH22 . ARG A 1 87 ? 4.506 -24.678 -8.594 1.00 0.00 ? 87 ARG A HH22 10 ATOM 15121 N N . LEU A 1 88 ? 4.483 -24.985 1.087 1.00 0.00 ? 88 LEU A N 10 ATOM 15122 C CA . LEU A 1 88 ? 4.742 -25.956 2.144 1.00 0.00 ? 88 LEU A CA 10 ATOM 15123 C C . LEU A 1 88 ? 3.438 -26.541 2.678 1.00 0.00 ? 88 LEU A C 10 ATOM 15124 O O . LEU A 1 88 ? 3.234 -27.755 2.657 1.00 0.00 ? 88 LEU A O 10 ATOM 15125 C CB . LEU A 1 88 ? 5.525 -25.303 3.284 1.00 0.00 ? 88 LEU A CB 10 ATOM 15126 C CG . LEU A 1 88 ? 7.049 -25.365 3.174 1.00 0.00 ? 88 LEU A CG 10 ATOM 15127 C CD1 . LEU A 1 88 ? 7.534 -24.524 2.003 1.00 0.00 ? 88 LEU A CD1 10 ATOM 15128 C CD2 . LEU A 1 88 ? 7.697 -24.902 4.470 1.00 0.00 ? 88 LEU A CD2 10 ATOM 15129 H H . LEU A 1 88 ? 4.770 -24.056 1.212 1.00 0.00 ? 88 LEU A H 10 ATOM 15130 H HA . LEU A 1 88 ? 5.334 -26.754 1.722 1.00 0.00 ? 88 LEU A HA 10 ATOM 15131 H HB2 . LEU A 1 88 ? 5.239 -24.263 3.328 1.00 0.00 ? 88 LEU A HB2 10 ATOM 15132 H HB3 . LEU A 1 88 ? 5.238 -25.792 4.204 1.00 0.00 ? 88 LEU A HB3 10 ATOM 15133 H HG . LEU A 1 88 ? 7.349 -26.389 2.996 1.00 0.00 ? 88 LEU A HG 10 ATOM 15134 H HD11 . LEU A 1 88 ? 7.745 -23.522 2.343 1.00 0.00 ? 88 LEU A HD11 10 ATOM 15135 H HD12 . LEU A 1 88 ? 6.769 -24.493 1.241 1.00 0.00 ? 88 LEU A HD12 10 ATOM 15136 H HD13 . LEU A 1 88 ? 8.432 -24.962 1.593 1.00 0.00 ? 88 LEU A HD13 10 ATOM 15137 H HD21 . LEU A 1 88 ? 7.098 -25.229 5.308 1.00 0.00 ? 88 LEU A HD21 10 ATOM 15138 H HD22 . LEU A 1 88 ? 7.763 -23.824 4.474 1.00 0.00 ? 88 LEU A HD22 10 ATOM 15139 H HD23 . LEU A 1 88 ? 8.687 -25.325 4.549 1.00 0.00 ? 88 LEU A HD23 10 ATOM 15140 N N . LYS A 1 89 ? 2.555 -25.669 3.154 1.00 0.00 ? 89 LYS A N 10 ATOM 15141 C CA . LYS A 1 89 ? 1.269 -26.096 3.689 1.00 0.00 ? 89 LYS A CA 10 ATOM 15142 C C . LYS A 1 89 ? 0.492 -26.909 2.658 1.00 0.00 ? 89 LYS A C 10 ATOM 15143 O O . LYS A 1 89 ? -0.380 -27.703 3.008 1.00 0.00 ? 89 LYS A O 10 ATOM 15144 C CB . LYS A 1 89 ? 0.444 -24.882 4.123 1.00 0.00 ? 89 LYS A CB 10 ATOM 15145 C CG . LYS A 1 89 ? 0.015 -23.995 2.968 1.00 0.00 ? 89 LYS A CG 10 ATOM 15146 C CD . LYS A 1 89 ? -1.099 -23.045 3.378 1.00 0.00 ? 89 LYS A CD 10 ATOM 15147 C CE . LYS A 1 89 ? -2.470 -23.662 3.148 1.00 0.00 ? 89 LYS A CE 10 ATOM 15148 N NZ . LYS A 1 89 ? -2.821 -23.709 1.701 1.00 0.00 ? 89 LYS A NZ 10 ATOM 15149 H H . LYS A 1 89 ? 2.775 -24.713 3.143 1.00 0.00 ? 89 LYS A H 10 ATOM 15150 H HA . LYS A 1 89 ? 1.458 -26.719 4.551 1.00 0.00 ? 89 LYS A HA 10 ATOM 15151 H HB2 . LYS A 1 89 ? -0.442 -25.228 4.634 1.00 0.00 ? 89 LYS A HB2 10 ATOM 15152 H HB3 . LYS A 1 89 ? 1.034 -24.288 4.807 1.00 0.00 ? 89 LYS A HB3 10 ATOM 15153 H HG2 . LYS A 1 89 ? 0.863 -23.415 2.637 1.00 0.00 ? 89 LYS A HG2 10 ATOM 15154 H HG3 . LYS A 1 89 ? -0.336 -24.618 2.158 1.00 0.00 ? 89 LYS A HG3 10 ATOM 15155 H HD2 . LYS A 1 89 ? -0.993 -22.812 4.428 1.00 0.00 ? 89 LYS A HD2 10 ATOM 15156 H HD3 . LYS A 1 89 ? -1.019 -22.138 2.796 1.00 0.00 ? 89 LYS A HD3 10 ATOM 15157 H HE2 . LYS A 1 89 ? -2.469 -24.667 3.542 1.00 0.00 ? 89 LYS A HE2 10 ATOM 15158 H HE3 . LYS A 1 89 ? -3.208 -23.071 3.670 1.00 0.00 ? 89 LYS A HE3 10 ATOM 15159 H HZ1 . LYS A 1 89 ? -2.553 -24.630 1.299 1.00 0.00 ? 89 LYS A HZ1 10 ATOM 15160 H HZ2 . LYS A 1 89 ? -2.317 -22.959 1.187 1.00 0.00 ? 89 LYS A HZ2 10 ATOM 15161 H HZ3 . LYS A 1 89 ? -3.844 -23.573 1.577 1.00 0.00 ? 89 LYS A HZ3 10 ATOM 15162 N N . ALA A 1 90 ? 0.817 -26.705 1.385 1.00 0.00 ? 90 ALA A N 10 ATOM 15163 C CA . ALA A 1 90 ? 0.152 -27.421 0.303 1.00 0.00 ? 90 ALA A CA 10 ATOM 15164 C C . ALA A 1 90 ? 0.933 -28.670 -0.089 1.00 0.00 ? 90 ALA A C 10 ATOM 15165 O O . ALA A 1 90 ? 2.146 -28.744 0.110 1.00 0.00 ? 90 ALA A O 10 ATOM 15166 C CB . ALA A 1 90 ? -0.028 -26.509 -0.901 1.00 0.00 ? 90 ALA A CB 10 ATOM 15167 H H . ALA A 1 90 ? 1.521 -26.059 1.169 1.00 0.00 ? 90 ALA A H 10 ATOM 15168 H HA . ALA A 1 90 ? -0.828 -27.716 0.651 1.00 0.00 ? 90 ALA A HA 10 ATOM 15169 H HB1 . ALA A 1 90 ? -0.734 -26.954 -1.586 1.00 0.00 ? 90 ALA A HB1 10 ATOM 15170 H HB2 . ALA A 1 90 ? -0.399 -25.549 -0.573 1.00 0.00 ? 90 ALA A HB2 10 ATOM 15171 H HB3 . ALA A 1 90 ? 0.922 -26.377 -1.398 1.00 0.00 ? 90 ALA A HB3 10 ATOM 15172 N N . HIS A 1 91 ? 0.231 -29.651 -0.647 1.00 0.00 ? 91 HIS A N 10 ATOM 15173 C CA . HIS A 1 91 ? 0.859 -30.898 -1.067 1.00 0.00 ? 91 HIS A CA 10 ATOM 15174 C C . HIS A 1 91 ? 1.708 -30.685 -2.317 1.00 0.00 ? 91 HIS A C 10 ATOM 15175 O O . HIS A 1 91 ? 1.244 -30.892 -3.438 1.00 0.00 ? 91 HIS A O 10 ATOM 15176 C CB . HIS A 1 91 ? -0.204 -31.965 -1.335 1.00 0.00 ? 91 HIS A CB 10 ATOM 15177 C CG . HIS A 1 91 ? 0.352 -33.235 -1.902 1.00 0.00 ? 91 HIS A CG 10 ATOM 15178 N ND1 . HIS A 1 91 ? 0.654 -34.335 -1.127 1.00 0.00 ? 91 HIS A ND1 10 ATOM 15179 C CD2 . HIS A 1 91 ? 0.658 -33.577 -3.175 1.00 0.00 ? 91 HIS A CD2 10 ATOM 15180 C CE1 . HIS A 1 91 ? 1.124 -35.299 -1.900 1.00 0.00 ? 91 HIS A CE1 10 ATOM 15181 N NE2 . HIS A 1 91 ? 1.136 -34.864 -3.147 1.00 0.00 ? 91 HIS A NE2 10 ATOM 15182 H H . HIS A 1 91 ? -0.733 -29.533 -0.779 1.00 0.00 ? 91 HIS A H 10 ATOM 15183 H HA . HIS A 1 91 ? 1.499 -31.234 -0.266 1.00 0.00 ? 91 HIS A HA 10 ATOM 15184 H HB2 . HIS A 1 91 ? -0.704 -32.206 -0.409 1.00 0.00 ? 91 HIS A HB2 10 ATOM 15185 H HB3 . HIS A 1 91 ? -0.926 -31.575 -2.038 1.00 0.00 ? 91 HIS A HB3 10 ATOM 15186 H HD1 . HIS A 1 91 ? 0.543 -34.400 -0.156 1.00 0.00 ? 91 HIS A HD1 10 ATOM 15187 H HD2 . HIS A 1 91 ? 0.548 -32.954 -4.051 1.00 0.00 ? 91 HIS A HD2 10 ATOM 15188 H HE1 . HIS A 1 91 ? 1.444 -36.275 -1.568 1.00 0.00 ? 91 HIS A HE1 10 ATOM 15189 H HE2 . HIS A 1 91 ? 1.517 -35.348 -3.909 1.00 0.00 ? 91 HIS A HE2 10 ATOM 15190 N N . SER A 1 92 ? 2.955 -30.268 -2.115 1.00 0.00 ? 92 SER A N 10 ATOM 15191 C CA . SER A 1 92 ? 3.867 -30.022 -3.226 1.00 0.00 ? 92 SER A CA 10 ATOM 15192 C C . SER A 1 92 ? 5.314 -29.994 -2.743 1.00 0.00 ? 92 SER A C 10 ATOM 15193 O O . SER A 1 92 ? 5.590 -29.669 -1.589 1.00 0.00 ? 92 SER A O 10 ATOM 15194 C CB . SER A 1 92 ? 3.521 -28.700 -3.914 1.00 0.00 ? 92 SER A CB 10 ATOM 15195 O OG . SER A 1 92 ? 3.870 -28.734 -5.287 1.00 0.00 ? 92 SER A OG 10 ATOM 15196 H H . SER A 1 92 ? 3.267 -30.121 -1.198 1.00 0.00 ? 92 SER A H 10 ATOM 15197 H HA . SER A 1 92 ? 3.752 -30.828 -3.935 1.00 0.00 ? 92 SER A HA 10 ATOM 15198 H HB2 . SER A 1 92 ? 2.461 -28.520 -3.829 1.00 0.00 ? 92 SER A HB2 10 ATOM 15199 H HB3 . SER A 1 92 ? 4.063 -27.897 -3.437 1.00 0.00 ? 92 SER A HB3 10 ATOM 15200 H HG . SER A 1 92 ? 4.114 -27.852 -5.578 1.00 0.00 ? 92 SER A HG 10 ATOM 15201 N N . GLY A 1 93 ? 6.237 -30.337 -3.638 1.00 0.00 ? 93 GLY A N 10 ATOM 15202 C CA . GLY A 1 93 ? 7.644 -30.345 -3.286 1.00 0.00 ? 93 GLY A CA 10 ATOM 15203 C C . GLY A 1 93 ? 8.501 -31.023 -4.337 1.00 0.00 ? 93 GLY A C 10 ATOM 15204 O O . GLY A 1 93 ? 8.871 -32.190 -4.209 1.00 0.00 ? 93 GLY A O 10 ATOM 15205 H H . GLY A 1 93 ? 5.959 -30.587 -4.544 1.00 0.00 ? 93 GLY A H 10 ATOM 15206 H HA2 . GLY A 1 93 ? 7.980 -29.326 -3.165 1.00 0.00 ? 93 GLY A HA2 10 ATOM 15207 H HA3 . GLY A 1 93 ? 7.766 -30.867 -2.348 1.00 0.00 ? 93 GLY A HA3 10 ATOM 15208 N N . PRO A 1 94 ? 8.828 -30.282 -5.407 1.00 0.00 ? 94 PRO A N 10 ATOM 15209 C CA . PRO A 1 94 ? 9.649 -30.799 -6.506 1.00 0.00 ? 94 PRO A CA 10 ATOM 15210 C C . PRO A 1 94 ? 11.100 -31.018 -6.092 1.00 0.00 ? 94 PRO A C 10 ATOM 15211 O O . PRO A 1 94 ? 11.569 -30.443 -5.110 1.00 0.00 ? 94 PRO A O 10 ATOM 15212 C CB . PRO A 1 94 ? 9.555 -29.698 -7.566 1.00 0.00 ? 94 PRO A CB 10 ATOM 15213 C CG . PRO A 1 94 ? 9.260 -28.456 -6.797 1.00 0.00 ? 94 PRO A CG 10 ATOM 15214 C CD . PRO A 1 94 ? 8.421 -28.884 -5.625 1.00 0.00 ? 94 PRO A CD 10 ATOM 15215 H HA . PRO A 1 94 ? 9.246 -31.719 -6.904 1.00 0.00 ? 94 PRO A HA 10 ATOM 15216 H HB2 . PRO A 1 94 ? 10.495 -29.623 -8.094 1.00 0.00 ? 94 PRO A HB2 10 ATOM 15217 H HB3 . PRO A 1 94 ? 8.762 -29.929 -8.261 1.00 0.00 ? 94 PRO A HB3 10 ATOM 15218 H HG2 . PRO A 1 94 ? 10.181 -28.009 -6.456 1.00 0.00 ? 94 PRO A HG2 10 ATOM 15219 H HG3 . PRO A 1 94 ? 8.712 -27.763 -7.418 1.00 0.00 ? 94 PRO A HG3 10 ATOM 15220 H HD2 . PRO A 1 94 ? 8.644 -28.278 -4.760 1.00 0.00 ? 94 PRO A HD2 10 ATOM 15221 H HD3 . PRO A 1 94 ? 7.371 -28.822 -5.871 1.00 0.00 ? 94 PRO A HD3 10 ATOM 15222 N N . SER A 1 95 ? 11.806 -31.852 -6.848 1.00 0.00 ? 95 SER A N 10 ATOM 15223 C CA . SER A 1 95 ? 13.204 -32.150 -6.558 1.00 0.00 ? 95 SER A CA 10 ATOM 15224 C C . SER A 1 95 ? 14.018 -30.866 -6.433 1.00 0.00 ? 95 SER A C 10 ATOM 15225 O O . SER A 1 95 ? 13.561 -29.788 -6.814 1.00 0.00 ? 95 SER A O 10 ATOM 15226 C CB . SER A 1 95 ? 13.796 -33.039 -7.653 1.00 0.00 ? 95 SER A CB 10 ATOM 15227 O OG . SER A 1 95 ? 14.153 -32.275 -8.792 1.00 0.00 ? 95 SER A OG 10 ATOM 15228 H H . SER A 1 95 ? 11.376 -32.280 -7.618 1.00 0.00 ? 95 SER A H 10 ATOM 15229 H HA . SER A 1 95 ? 13.242 -32.679 -5.617 1.00 0.00 ? 95 SER A HA 10 ATOM 15230 H HB2 . SER A 1 95 ? 14.679 -33.532 -7.274 1.00 0.00 ? 95 SER A HB2 10 ATOM 15231 H HB3 . SER A 1 95 ? 13.067 -33.780 -7.945 1.00 0.00 ? 95 SER A HB3 10 ATOM 15232 H HG . SER A 1 95 ? 13.554 -31.530 -8.879 1.00 0.00 ? 95 SER A HG 10 ATOM 15233 N N . SER A 1 96 ? 15.228 -30.989 -5.896 1.00 0.00 ? 96 SER A N 10 ATOM 15234 C CA . SER A 1 96 ? 16.106 -29.839 -5.717 1.00 0.00 ? 96 SER A CA 10 ATOM 15235 C C . SER A 1 96 ? 17.488 -30.114 -6.301 1.00 0.00 ? 96 SER A C 10 ATOM 15236 O O . SER A 1 96 ? 18.022 -31.215 -6.169 1.00 0.00 ? 96 SER A O 10 ATOM 15237 C CB . SER A 1 96 ? 16.227 -29.489 -4.233 1.00 0.00 ? 96 SER A CB 10 ATOM 15238 O OG . SER A 1 96 ? 17.073 -30.406 -3.561 1.00 0.00 ? 96 SER A OG 10 ATOM 15239 H H . SER A 1 96 ? 15.536 -31.875 -5.612 1.00 0.00 ? 96 SER A H 10 ATOM 15240 H HA . SER A 1 96 ? 15.667 -29.002 -6.241 1.00 0.00 ? 96 SER A HA 10 ATOM 15241 H HB2 . SER A 1 96 ? 16.639 -28.497 -4.132 1.00 0.00 ? 96 SER A HB2 10 ATOM 15242 H HB3 . SER A 1 96 ? 15.248 -29.521 -3.777 1.00 0.00 ? 96 SER A HB3 10 ATOM 15243 H HG . SER A 1 96 ? 16.897 -30.372 -2.617 1.00 0.00 ? 96 SER A HG 10 ATOM 15244 N N . GLY A 1 97 ? 18.063 -29.105 -6.948 1.00 0.00 ? 97 GLY A N 10 ATOM 15245 C CA . GLY A 1 97 ? 19.377 -29.257 -7.543 1.00 0.00 ? 97 GLY A CA 10 ATOM 15246 C C . GLY A 1 97 ? 20.258 -28.043 -7.322 1.00 0.00 ? 97 GLY A C 10 ATOM 15247 O O . GLY A 1 97 ? 21.479 -28.163 -7.228 1.00 0.00 ? 97 GLY A O 10 ATOM 15248 H H . GLY A 1 97 ? 17.589 -28.249 -7.022 1.00 0.00 ? 97 GLY A H 10 ATOM 15249 H HA2 . GLY A 1 97 ? 19.858 -30.121 -7.110 1.00 0.00 ? 97 GLY A HA2 10 ATOM 15250 H HA3 . GLY A 1 97 ? 19.263 -29.415 -8.605 1.00 0.00 ? 97 GLY A HA3 10 ATOM 15251 N N . GLY A 1 1 ? -1.131 18.871 24.329 1.00 0.00 ? 1 GLY A N 11 ATOM 15252 C CA . GLY A 1 1 ? -1.502 18.647 22.944 1.00 0.00 ? 1 GLY A CA 11 ATOM 15253 C C . GLY A 1 1 ? -1.367 19.898 22.098 1.00 0.00 ? 1 GLY A C 11 ATOM 15254 O O . GLY A 1 1 ? -0.288 20.195 21.586 1.00 0.00 ? 1 GLY A O 11 ATOM 15255 H H1 . GLY A 1 1 ? -1.446 19.673 24.796 1.00 0.00 ? 1 GLY A H1 11 ATOM 15256 H HA2 . GLY A 1 1 ? -0.867 17.876 22.533 1.00 0.00 ? 1 GLY A HA2 11 ATOM 15257 H HA3 . GLY A 1 1 ? -2.528 18.311 22.909 1.00 0.00 ? 1 GLY A HA3 11 ATOM 15258 N N . SER A 1 2 ? -2.465 20.631 21.950 1.00 0.00 ? 2 SER A N 11 ATOM 15259 C CA . SER A 1 2 ? -2.466 21.854 21.156 1.00 0.00 ? 2 SER A CA 11 ATOM 15260 C C . SER A 1 2 ? -1.618 21.686 19.899 1.00 0.00 ? 2 SER A C 11 ATOM 15261 O O . SER A 1 2 ? -0.834 22.565 19.543 1.00 0.00 ? 2 SER A O 11 ATOM 15262 C CB . SER A 1 2 ? -1.941 23.027 21.986 1.00 0.00 ? 2 SER A CB 11 ATOM 15263 O OG . SER A 1 2 ? -0.579 22.840 22.327 1.00 0.00 ? 2 SER A OG 11 ATOM 15264 H H . SER A 1 2 ? -3.295 20.342 22.384 1.00 0.00 ? 2 SER A H 11 ATOM 15265 H HA . SER A 1 2 ? -3.486 22.059 20.864 1.00 0.00 ? 2 SER A HA 11 ATOM 15266 H HB2 . SER A 1 2 ? -2.035 23.939 21.415 1.00 0.00 ? 2 SER A HB2 11 ATOM 15267 H HB3 . SER A 1 2 ? -2.520 23.110 22.894 1.00 0.00 ? 2 SER A HB3 11 ATOM 15268 H HG . SER A 1 2 ? -0.123 22.405 21.603 1.00 0.00 ? 2 SER A HG 11 ATOM 15269 N N . SER A 1 3 ? -1.783 20.549 19.230 1.00 0.00 ? 3 SER A N 11 ATOM 15270 C CA . SER A 1 3 ? -1.030 20.262 18.014 1.00 0.00 ? 3 SER A CA 11 ATOM 15271 C C . SER A 1 3 ? -1.003 21.477 17.092 1.00 0.00 ? 3 SER A C 11 ATOM 15272 O O . SER A 1 3 ? -1.826 22.383 17.216 1.00 0.00 ? 3 SER A O 11 ATOM 15273 C CB . SER A 1 3 ? -1.641 19.066 17.281 1.00 0.00 ? 3 SER A CB 11 ATOM 15274 O OG . SER A 1 3 ? -1.230 17.844 17.869 1.00 0.00 ? 3 SER A OG 11 ATOM 15275 H H . SER A 1 3 ? -2.424 19.887 19.563 1.00 0.00 ? 3 SER A H 11 ATOM 15276 H HA . SER A 1 3 ? -0.018 20.019 18.300 1.00 0.00 ? 3 SER A HA 11 ATOM 15277 H HB2 . SER A 1 3 ? -2.718 19.129 17.329 1.00 0.00 ? 3 SER A HB2 11 ATOM 15278 H HB3 . SER A 1 3 ? -1.325 19.080 16.248 1.00 0.00 ? 3 SER A HB3 11 ATOM 15279 H HG . SER A 1 3 ? -1.627 17.110 17.393 1.00 0.00 ? 3 SER A HG 11 ATOM 15280 N N . GLY A 1 4 ? -0.049 21.489 16.166 1.00 0.00 ? 4 GLY A N 11 ATOM 15281 C CA . GLY A 1 4 ? 0.070 22.597 15.237 1.00 0.00 ? 4 GLY A CA 11 ATOM 15282 C C . GLY A 1 4 ? -1.019 22.588 14.182 1.00 0.00 ? 4 GLY A C 11 ATOM 15283 O O . GLY A 1 4 ? -2.190 22.811 14.487 1.00 0.00 ? 4 GLY A O 11 ATOM 15284 H H . GLY A 1 4 ? 0.580 20.739 16.114 1.00 0.00 ? 4 GLY A H 11 ATOM 15285 H HA2 . GLY A 1 4 ? 0.014 23.524 15.789 1.00 0.00 ? 4 GLY A HA2 11 ATOM 15286 H HA3 . GLY A 1 4 ? 1.030 22.540 14.746 1.00 0.00 ? 4 GLY A HA3 11 ATOM 15287 N N . SER A 1 5 ? -0.632 22.330 12.937 1.00 0.00 ? 5 SER A N 11 ATOM 15288 C CA . SER A 1 5 ? -1.583 22.298 11.832 1.00 0.00 ? 5 SER A CA 11 ATOM 15289 C C . SER A 1 5 ? -0.976 21.614 10.611 1.00 0.00 ? 5 SER A C 11 ATOM 15290 O O . SER A 1 5 ? 0.019 22.080 10.056 1.00 0.00 ? 5 SER A O 11 ATOM 15291 C CB . SER A 1 5 ? -2.023 23.718 11.468 1.00 0.00 ? 5 SER A CB 11 ATOM 15292 O OG . SER A 1 5 ? -3.242 23.705 10.746 1.00 0.00 ? 5 SER A OG 11 ATOM 15293 H H . SER A 1 5 ? 0.316 22.160 12.757 1.00 0.00 ? 5 SER A H 11 ATOM 15294 H HA . SER A 1 5 ? -2.446 21.735 12.154 1.00 0.00 ? 5 SER A HA 11 ATOM 15295 H HB2 . SER A 1 5 ? -2.160 24.292 12.372 1.00 0.00 ? 5 SER A HB2 11 ATOM 15296 H HB3 . SER A 1 5 ? -1.261 24.182 10.859 1.00 0.00 ? 5 SER A HB3 11 ATOM 15297 H HG . SER A 1 5 ? -3.954 24.010 11.313 1.00 0.00 ? 5 SER A HG 11 ATOM 15298 N N . SER A 1 6 ? -1.581 20.504 10.200 1.00 0.00 ? 6 SER A N 11 ATOM 15299 C CA . SER A 1 6 ? -1.099 19.752 9.048 1.00 0.00 ? 6 SER A CA 11 ATOM 15300 C C . SER A 1 6 ? -1.392 20.499 7.750 1.00 0.00 ? 6 SER A C 11 ATOM 15301 O O . SER A 1 6 ? -0.496 20.732 6.940 1.00 0.00 ? 6 SER A O 11 ATOM 15302 C CB . SER A 1 6 ? -1.746 18.366 9.010 1.00 0.00 ? 6 SER A CB 11 ATOM 15303 O OG . SER A 1 6 ? -1.085 17.470 9.887 1.00 0.00 ? 6 SER A OG 11 ATOM 15304 H H . SER A 1 6 ? -2.370 20.183 10.685 1.00 0.00 ? 6 SER A H 11 ATOM 15305 H HA . SER A 1 6 ? -0.030 19.638 9.151 1.00 0.00 ? 6 SER A HA 11 ATOM 15306 H HB2 . SER A 1 6 ? -2.780 18.446 9.308 1.00 0.00 ? 6 SER A HB2 11 ATOM 15307 H HB3 . SER A 1 6 ? -1.690 17.974 8.005 1.00 0.00 ? 6 SER A HB3 11 ATOM 15308 H HG . SER A 1 6 ? -1.127 17.811 10.784 1.00 0.00 ? 6 SER A HG 11 ATOM 15309 N N . GLY A 1 7 ? -2.654 20.871 7.561 1.00 0.00 ? 7 GLY A N 11 ATOM 15310 C CA . GLY A 1 7 ? -3.044 21.587 6.361 1.00 0.00 ? 7 GLY A CA 11 ATOM 15311 C C . GLY A 1 7 ? -3.146 20.679 5.151 1.00 0.00 ? 7 GLY A C 11 ATOM 15312 O O . GLY A 1 7 ? -3.563 19.527 5.265 1.00 0.00 ? 7 GLY A O 11 ATOM 15313 H H . GLY A 1 7 ? -3.326 20.658 8.242 1.00 0.00 ? 7 GLY A H 11 ATOM 15314 H HA2 . GLY A 1 7 ? -4.003 22.054 6.529 1.00 0.00 ? 7 GLY A HA2 11 ATOM 15315 H HA3 . GLY A 1 7 ? -2.311 22.355 6.159 1.00 0.00 ? 7 GLY A HA3 11 ATOM 15316 N N . MET A 1 8 ? -2.765 21.200 3.989 1.00 0.00 ? 8 MET A N 11 ATOM 15317 C CA . MET A 1 8 ? -2.816 20.427 2.753 1.00 0.00 ? 8 MET A CA 11 ATOM 15318 C C . MET A 1 8 ? -4.022 19.494 2.744 1.00 0.00 ? 8 MET A C 11 ATOM 15319 O O . MET A 1 8 ? -3.894 18.302 2.468 1.00 0.00 ? 8 MET A O 11 ATOM 15320 C CB . MET A 1 8 ? -1.529 19.618 2.579 1.00 0.00 ? 8 MET A CB 11 ATOM 15321 C CG . MET A 1 8 ? -0.385 20.418 1.977 1.00 0.00 ? 8 MET A CG 11 ATOM 15322 S SD . MET A 1 8 ? 0.932 19.369 1.333 1.00 0.00 ? 8 MET A SD 11 ATOM 15323 C CE . MET A 1 8 ? 1.081 19.997 -0.337 1.00 0.00 ? 8 MET A CE 11 ATOM 15324 H H . MET A 1 8 ? -2.441 22.124 3.961 1.00 0.00 ? 8 MET A H 11 ATOM 15325 H HA . MET A 1 8 ? -2.907 21.122 1.932 1.00 0.00 ? 8 MET A HA 11 ATOM 15326 H HB2 . MET A 1 8 ? -1.215 19.252 3.544 1.00 0.00 ? 8 MET A HB2 11 ATOM 15327 H HB3 . MET A 1 8 ? -1.731 18.777 1.932 1.00 0.00 ? 8 MET A HB3 11 ATOM 15328 H HG2 . MET A 1 8 ? -0.771 21.022 1.169 1.00 0.00 ? 8 MET A HG2 11 ATOM 15329 H HG3 . MET A 1 8 ? 0.026 21.062 2.740 1.00 0.00 ? 8 MET A HG3 11 ATOM 15330 H HE1 . MET A 1 8 ? 0.615 19.307 -1.025 1.00 0.00 ? 8 MET A HE1 11 ATOM 15331 H HE2 . MET A 1 8 ? 0.592 20.958 -0.405 1.00 0.00 ? 8 MET A HE2 11 ATOM 15332 H HE3 . MET A 1 8 ? 2.126 20.106 -0.589 1.00 0.00 ? 8 MET A HE3 11 ATOM 15333 N N . GLU A 1 9 ? -5.193 20.045 3.049 1.00 0.00 ? 9 GLU A N 11 ATOM 15334 C CA . GLU A 1 9 ? -6.422 19.260 3.077 1.00 0.00 ? 9 GLU A CA 11 ATOM 15335 C C . GLU A 1 9 ? -6.908 18.959 1.662 1.00 0.00 ? 9 GLU A C 11 ATOM 15336 O O . GLU A 1 9 ? -8.005 19.357 1.274 1.00 0.00 ? 9 GLU A O 11 ATOM 15337 C CB . GLU A 1 9 ? -7.510 20.002 3.855 1.00 0.00 ? 9 GLU A CB 11 ATOM 15338 C CG . GLU A 1 9 ? -7.380 19.867 5.363 1.00 0.00 ? 9 GLU A CG 11 ATOM 15339 C CD . GLU A 1 9 ? -8.119 18.660 5.907 1.00 0.00 ? 9 GLU A CD 11 ATOM 15340 O OE1 . GLU A 1 9 ? -8.078 17.596 5.255 1.00 0.00 ? 9 GLU A OE1 11 ATOM 15341 O OE2 . GLU A 1 9 ? -8.738 18.780 6.985 1.00 0.00 ? 9 GLU A OE2 11 ATOM 15342 H H . GLU A 1 9 ? -5.232 21.001 3.260 1.00 0.00 ? 9 GLU A H 11 ATOM 15343 H HA . GLU A 1 9 ? -6.208 18.327 3.577 1.00 0.00 ? 9 GLU A HA 11 ATOM 15344 H HB2 . GLU A 1 9 ? -7.464 21.051 3.603 1.00 0.00 ? 9 GLU A HB2 11 ATOM 15345 H HB3 . GLU A 1 9 ? -8.474 19.613 3.562 1.00 0.00 ? 9 GLU A HB3 11 ATOM 15346 H HG2 . GLU A 1 9 ? -6.334 19.773 5.614 1.00 0.00 ? 9 GLU A HG2 11 ATOM 15347 H HG3 . GLU A 1 9 ? -7.782 20.756 5.827 1.00 0.00 ? 9 GLU A HG3 11 ATOM 15348 N N . GLY A 1 10 ? -6.081 18.254 0.896 1.00 0.00 ? 10 GLY A N 11 ATOM 15349 C CA . GLY A 1 10 ? -6.443 17.913 -0.467 1.00 0.00 ? 10 GLY A CA 11 ATOM 15350 C C . GLY A 1 10 ? -5.776 16.637 -0.942 1.00 0.00 ? 10 GLY A C 11 ATOM 15351 O O . GLY A 1 10 ? -6.410 15.589 -1.068 1.00 0.00 ? 10 GLY A O 11 ATOM 15352 H H . GLY A 1 10 ? -5.219 17.963 1.259 1.00 0.00 ? 10 GLY A H 11 ATOM 15353 H HA2 . GLY A 1 10 ? -7.514 17.789 -0.524 1.00 0.00 ? 10 GLY A HA2 11 ATOM 15354 H HA3 . GLY A 1 10 ? -6.150 18.722 -1.119 1.00 0.00 ? 10 GLY A HA3 11 ATOM 15355 N N . PRO A 1 11 ? -4.466 16.717 -1.217 1.00 0.00 ? 11 PRO A N 11 ATOM 15356 C CA . PRO A 1 11 ? -3.684 15.570 -1.687 1.00 0.00 ? 11 PRO A CA 11 ATOM 15357 C C . PRO A 1 11 ? -3.491 14.516 -0.601 1.00 0.00 ? 11 PRO A C 11 ATOM 15358 O O . PRO A 1 11 ? -3.192 13.357 -0.892 1.00 0.00 ? 11 PRO A O 11 ATOM 15359 C CB . PRO A 1 11 ? -2.339 16.191 -2.073 1.00 0.00 ? 11 PRO A CB 11 ATOM 15360 C CG . PRO A 1 11 ? -2.240 17.425 -1.245 1.00 0.00 ? 11 PRO A CG 11 ATOM 15361 C CD . PRO A 1 11 ? -3.646 17.934 -1.090 1.00 0.00 ? 11 PRO A CD 11 ATOM 15362 H HA . PRO A 1 11 ? -4.133 15.112 -2.555 1.00 0.00 ? 11 PRO A HA 11 ATOM 15363 H HB2 . PRO A 1 11 ? -1.541 15.497 -1.847 1.00 0.00 ? 11 PRO A HB2 11 ATOM 15364 H HB3 . PRO A 1 11 ? -2.335 16.422 -3.128 1.00 0.00 ? 11 PRO A HB3 11 ATOM 15365 H HG2 . PRO A 1 11 ? -1.819 17.187 -0.280 1.00 0.00 ? 11 PRO A HG2 11 ATOM 15366 H HG3 . PRO A 1 11 ? -1.630 18.158 -1.751 1.00 0.00 ? 11 PRO A HG3 11 ATOM 15367 H HD2 . PRO A 1 11 ? -3.779 18.389 -0.120 1.00 0.00 ? 11 PRO A HD2 11 ATOM 15368 H HD3 . PRO A 1 11 ? -3.881 18.639 -1.874 1.00 0.00 ? 11 PRO A HD3 11 ATOM 15369 N N . LEU A 1 12 ? -3.666 14.925 0.651 1.00 0.00 ? 12 LEU A N 11 ATOM 15370 C CA . LEU A 1 12 ? -3.512 14.015 1.781 1.00 0.00 ? 12 LEU A CA 11 ATOM 15371 C C . LEU A 1 12 ? -4.660 13.013 1.834 1.00 0.00 ? 12 LEU A C 11 ATOM 15372 O O . LEU A 1 12 ? -4.452 11.829 2.094 1.00 0.00 ? 12 LEU A O 11 ATOM 15373 C CB . LEU A 1 12 ? -3.447 14.803 3.090 1.00 0.00 ? 12 LEU A CB 11 ATOM 15374 C CG . LEU A 1 12 ? -2.101 15.451 3.418 1.00 0.00 ? 12 LEU A CG 11 ATOM 15375 C CD1 . LEU A 1 12 ? -2.249 16.436 4.567 1.00 0.00 ? 12 LEU A CD1 11 ATOM 15376 C CD2 . LEU A 1 12 ? -1.066 14.387 3.756 1.00 0.00 ? 12 LEU A CD2 11 ATOM 15377 H H . LEU A 1 12 ? -3.903 15.860 0.820 1.00 0.00 ? 12 LEU A H 11 ATOM 15378 H HA . LEU A 1 12 ? -2.586 13.476 1.649 1.00 0.00 ? 12 LEU A HA 11 ATOM 15379 H HB2 . LEU A 1 12 ? -4.188 15.587 3.041 1.00 0.00 ? 12 LEU A HB2 11 ATOM 15380 H HB3 . LEU A 1 12 ? -3.695 14.126 3.895 1.00 0.00 ? 12 LEU A HB3 11 ATOM 15381 H HG . LEU A 1 12 ? -1.751 15.997 2.553 1.00 0.00 ? 12 LEU A HG 11 ATOM 15382 H HD11 . LEU A 1 12 ? -1.298 16.908 4.761 1.00 0.00 ? 12 LEU A HD11 11 ATOM 15383 H HD12 . LEU A 1 12 ? -2.578 15.912 5.452 1.00 0.00 ? 12 LEU A HD12 11 ATOM 15384 H HD13 . LEU A 1 12 ? -2.978 17.189 4.304 1.00 0.00 ? 12 LEU A HD13 11 ATOM 15385 H HD21 . LEU A 1 12 ? -0.076 14.811 3.676 1.00 0.00 ? 12 LEU A HD21 11 ATOM 15386 H HD22 . LEU A 1 12 ? -1.161 13.561 3.065 1.00 0.00 ? 12 LEU A HD22 11 ATOM 15387 H HD23 . LEU A 1 12 ? -1.227 14.035 4.764 1.00 0.00 ? 12 LEU A HD23 11 ATOM 15388 N N . ASN A 1 13 ? -5.873 13.496 1.582 1.00 0.00 ? 13 ASN A N 11 ATOM 15389 C CA . ASN A 1 13 ? -7.055 12.642 1.599 1.00 0.00 ? 13 ASN A CA 11 ATOM 15390 C C . ASN A 1 13 ? -7.070 11.710 0.391 1.00 0.00 ? 13 ASN A C 11 ATOM 15391 O O . ASN A 1 13 ? -7.411 10.532 0.506 1.00 0.00 ? 13 ASN A O 11 ATOM 15392 C CB . ASN A 1 13 ? -8.325 13.494 1.615 1.00 0.00 ? 13 ASN A CB 11 ATOM 15393 C CG . ASN A 1 13 ? -9.563 12.694 1.259 1.00 0.00 ? 13 ASN A CG 11 ATOM 15394 O OD1 . ASN A 1 13 ? -10.303 13.049 0.342 1.00 0.00 ? 13 ASN A OD1 11 ATOM 15395 N ND2 . ASN A 1 13 ? -9.794 11.607 1.986 1.00 0.00 ? 13 ASN A ND2 11 ATOM 15396 H H . ASN A 1 13 ? -5.975 14.450 1.380 1.00 0.00 ? 13 ASN A H 11 ATOM 15397 H HA . ASN A 1 13 ? -7.020 12.046 2.498 1.00 0.00 ? 13 ASN A HA 11 ATOM 15398 H HB2 . ASN A 1 13 ? -8.460 13.909 2.603 1.00 0.00 ? 13 ASN A HB2 11 ATOM 15399 H HB3 . ASN A 1 13 ? -8.221 14.299 0.903 1.00 0.00 ? 13 ASN A HB3 11 ATOM 15400 H HD21 . ASN A 1 13 ? -9.161 11.385 2.701 1.00 0.00 ? 13 ASN A HD21 11 ATOM 15401 H HD22 . ASN A 1 13 ? -10.587 11.070 1.777 1.00 0.00 ? 13 ASN A HD22 11 ATOM 15402 N N . LEU A 1 14 ? -6.697 12.245 -0.766 1.00 0.00 ? 14 LEU A N 11 ATOM 15403 C CA . LEU A 1 14 ? -6.666 11.461 -1.997 1.00 0.00 ? 14 LEU A CA 11 ATOM 15404 C C . LEU A 1 14 ? -5.815 10.207 -1.823 1.00 0.00 ? 14 LEU A C 11 ATOM 15405 O O . LEU A 1 14 ? -6.233 9.106 -2.180 1.00 0.00 ? 14 LEU A O 11 ATOM 15406 C CB . LEU A 1 14 ? -6.121 12.306 -3.149 1.00 0.00 ? 14 LEU A CB 11 ATOM 15407 C CG . LEU A 1 14 ? -7.109 13.278 -3.794 1.00 0.00 ? 14 LEU A CG 11 ATOM 15408 C CD1 . LEU A 1 14 ? -6.373 14.468 -4.392 1.00 0.00 ? 14 LEU A CD1 11 ATOM 15409 C CD2 . LEU A 1 14 ? -7.936 12.571 -4.858 1.00 0.00 ? 14 LEU A CD2 11 ATOM 15410 H H . LEU A 1 14 ? -6.436 13.188 -0.796 1.00 0.00 ? 14 LEU A H 11 ATOM 15411 H HA . LEU A 1 14 ? -7.679 11.165 -2.226 1.00 0.00 ? 14 LEU A HA 11 ATOM 15412 H HB2 . LEU A 1 14 ? -5.289 12.881 -2.773 1.00 0.00 ? 14 LEU A HB2 11 ATOM 15413 H HB3 . LEU A 1 14 ? -5.771 11.630 -3.917 1.00 0.00 ? 14 LEU A HB3 11 ATOM 15414 H HG . LEU A 1 14 ? -7.785 13.651 -3.037 1.00 0.00 ? 14 LEU A HG 11 ATOM 15415 H HD11 . LEU A 1 14 ? -6.391 15.290 -3.692 1.00 0.00 ? 14 LEU A HD11 11 ATOM 15416 H HD12 . LEU A 1 14 ? -6.857 14.766 -5.310 1.00 0.00 ? 14 LEU A HD12 11 ATOM 15417 H HD13 . LEU A 1 14 ? -5.349 14.192 -4.597 1.00 0.00 ? 14 LEU A HD13 11 ATOM 15418 H HD21 . LEU A 1 14 ? -8.080 11.539 -4.574 1.00 0.00 ? 14 LEU A HD21 11 ATOM 15419 H HD22 . LEU A 1 14 ? -7.417 12.615 -5.805 1.00 0.00 ? 14 LEU A HD22 11 ATOM 15420 H HD23 . LEU A 1 14 ? -8.895 13.058 -4.950 1.00 0.00 ? 14 LEU A HD23 11 ATOM 15421 N N . ALA A 1 15 ? -4.620 10.382 -1.269 1.00 0.00 ? 15 ALA A N 11 ATOM 15422 C CA . ALA A 1 15 ? -3.712 9.265 -1.043 1.00 0.00 ? 15 ALA A CA 11 ATOM 15423 C C . ALA A 1 15 ? -4.339 8.225 -0.121 1.00 0.00 ? 15 ALA A C 11 ATOM 15424 O O . ALA A 1 15 ? -4.021 7.038 -0.200 1.00 0.00 ? 15 ALA A O 11 ATOM 15425 C CB . ALA A 1 15 ? -2.396 9.762 -0.463 1.00 0.00 ? 15 ALA A CB 11 ATOM 15426 H H . ALA A 1 15 ? -4.343 11.284 -1.005 1.00 0.00 ? 15 ALA A H 11 ATOM 15427 H HA . ALA A 1 15 ? -3.504 8.805 -1.999 1.00 0.00 ? 15 ALA A HA 11 ATOM 15428 H HB1 . ALA A 1 15 ? -2.468 10.823 -0.268 1.00 0.00 ? 15 ALA A HB1 11 ATOM 15429 H HB2 . ALA A 1 15 ? -2.190 9.240 0.460 1.00 0.00 ? 15 ALA A HB2 11 ATOM 15430 H HB3 . ALA A 1 15 ? -1.599 9.578 -1.167 1.00 0.00 ? 15 ALA A HB3 11 ATOM 15431 N N . HIS A 1 16 ? -5.232 8.677 0.753 1.00 0.00 ? 16 HIS A N 11 ATOM 15432 C CA . HIS A 1 16 ? -5.905 7.785 1.690 1.00 0.00 ? 16 HIS A CA 11 ATOM 15433 C C . HIS A 1 16 ? -6.858 6.845 0.958 1.00 0.00 ? 16 HIS A C 11 ATOM 15434 O O . HIS A 1 16 ? -6.810 5.630 1.145 1.00 0.00 ? 16 HIS A O 11 ATOM 15435 C CB . HIS A 1 16 ? -6.672 8.594 2.737 1.00 0.00 ? 16 HIS A CB 11 ATOM 15436 C CG . HIS A 1 16 ? -5.812 9.555 3.499 1.00 0.00 ? 16 HIS A CG 11 ATOM 15437 N ND1 . HIS A 1 16 ? -6.326 10.532 4.326 1.00 0.00 ? 16 HIS A ND1 11 ATOM 15438 C CD2 . HIS A 1 16 ? -4.466 9.683 3.559 1.00 0.00 ? 16 HIS A CD2 11 ATOM 15439 C CE1 . HIS A 1 16 ? -5.333 11.221 4.859 1.00 0.00 ? 16 HIS A CE1 11 ATOM 15440 N NE2 . HIS A 1 16 ? -4.193 10.726 4.410 1.00 0.00 ? 16 HIS A NE2 11 ATOM 15441 H H . HIS A 1 16 ? -5.444 9.634 0.767 1.00 0.00 ? 16 HIS A H 11 ATOM 15442 H HA . HIS A 1 16 ? -5.149 7.196 2.187 1.00 0.00 ? 16 HIS A HA 11 ATOM 15443 H HB2 . HIS A 1 16 ? -7.447 9.163 2.245 1.00 0.00 ? 16 HIS A HB2 11 ATOM 15444 H HB3 . HIS A 1 16 ? -7.124 7.917 3.447 1.00 0.00 ? 16 HIS A HB3 11 ATOM 15445 H HD1 . HIS A 1 16 ? -7.276 10.697 4.494 1.00 0.00 ? 16 HIS A HD1 11 ATOM 15446 H HD2 . HIS A 1 16 ? -3.740 9.079 3.033 1.00 0.00 ? 16 HIS A HD2 11 ATOM 15447 H HE1 . HIS A 1 16 ? -5.434 12.048 5.545 1.00 0.00 ? 16 HIS A HE1 11 ATOM 15448 H HE2 . HIS A 1 16 ? -3.307 11.106 4.581 1.00 0.00 ? 16 HIS A HE2 11 ATOM 15449 N N . GLN A 1 17 ? -7.722 7.418 0.125 1.00 0.00 ? 17 GLN A N 11 ATOM 15450 C CA . GLN A 1 17 ? -8.686 6.630 -0.633 1.00 0.00 ? 17 GLN A CA 11 ATOM 15451 C C . GLN A 1 17 ? -8.064 5.324 -1.115 1.00 0.00 ? 17 GLN A C 11 ATOM 15452 O O . GLN A 1 17 ? -8.677 4.261 -1.017 1.00 0.00 ? 17 GLN A O 11 ATOM 15453 C CB . GLN A 1 17 ? -9.204 7.433 -1.828 1.00 0.00 ? 17 GLN A CB 11 ATOM 15454 C CG . GLN A 1 17 ? -9.978 8.681 -1.433 1.00 0.00 ? 17 GLN A CG 11 ATOM 15455 C CD . GLN A 1 17 ? -10.815 9.232 -2.570 1.00 0.00 ? 17 GLN A CD 11 ATOM 15456 O OE1 . GLN A 1 17 ? -11.886 8.707 -2.880 1.00 0.00 ? 17 GLN A OE1 11 ATOM 15457 N NE2 . GLN A 1 17 ? -10.332 10.296 -3.200 1.00 0.00 ? 17 GLN A NE2 11 ATOM 15458 H H . GLN A 1 17 ? -7.710 8.391 0.019 1.00 0.00 ? 17 GLN A H 11 ATOM 15459 H HA . GLN A 1 17 ? -9.514 6.401 0.020 1.00 0.00 ? 17 GLN A HA 11 ATOM 15460 H HB2 . GLN A 1 17 ? -8.364 7.734 -2.436 1.00 0.00 ? 17 GLN A HB2 11 ATOM 15461 H HB3 . GLN A 1 17 ? -9.856 6.802 -2.415 1.00 0.00 ? 17 GLN A HB3 11 ATOM 15462 H HG2 . GLN A 1 17 ? -10.633 8.437 -0.610 1.00 0.00 ? 17 GLN A HG2 11 ATOM 15463 H HG3 . GLN A 1 17 ? -9.276 9.440 -1.121 1.00 0.00 ? 17 GLN A HG3 11 ATOM 15464 H HE21 . GLN A 1 17 ? -9.472 10.660 -2.900 1.00 0.00 ? 17 GLN A HE21 11 ATOM 15465 H HE22 . GLN A 1 17 ? -10.852 10.673 -3.939 1.00 0.00 ? 17 GLN A HE22 11 ATOM 15466 N N . GLN A 1 18 ? -6.844 5.411 -1.635 1.00 0.00 ? 18 GLN A N 11 ATOM 15467 C CA . GLN A 1 18 ? -6.140 4.235 -2.132 1.00 0.00 ? 18 GLN A CA 11 ATOM 15468 C C . GLN A 1 18 ? -5.605 3.393 -0.979 1.00 0.00 ? 18 GLN A C 11 ATOM 15469 O O . GLN A 1 18 ? -5.627 2.163 -1.033 1.00 0.00 ? 18 GLN A O 11 ATOM 15470 C CB . GLN A 1 18 ? -4.991 4.653 -3.051 1.00 0.00 ? 18 GLN A CB 11 ATOM 15471 C CG . GLN A 1 18 ? -5.443 5.434 -4.274 1.00 0.00 ? 18 GLN A CG 11 ATOM 15472 C CD . GLN A 1 18 ? -6.473 4.685 -5.096 1.00 0.00 ? 18 GLN A CD 11 ATOM 15473 O OE1 . GLN A 1 18 ? -7.670 4.742 -4.813 1.00 0.00 ? 18 GLN A OE1 11 ATOM 15474 N NE2 . GLN A 1 18 ? -6.013 3.977 -6.121 1.00 0.00 ? 18 GLN A NE2 11 ATOM 15475 H H . GLN A 1 18 ? -6.408 6.287 -1.685 1.00 0.00 ? 18 GLN A H 11 ATOM 15476 H HA . GLN A 1 18 ? -6.843 3.643 -2.698 1.00 0.00 ? 18 GLN A HA 11 ATOM 15477 H HB2 . GLN A 1 18 ? -4.304 5.270 -2.490 1.00 0.00 ? 18 GLN A HB2 11 ATOM 15478 H HB3 . GLN A 1 18 ? -4.474 3.767 -3.387 1.00 0.00 ? 18 GLN A HB3 11 ATOM 15479 H HG2 . GLN A 1 18 ? -5.875 6.369 -3.950 1.00 0.00 ? 18 GLN A HG2 11 ATOM 15480 H HG3 . GLN A 1 18 ? -4.582 5.632 -4.896 1.00 0.00 ? 18 GLN A HG3 11 ATOM 15481 H HE21 . GLN A 1 18 ? -5.046 3.977 -6.286 1.00 0.00 ? 18 GLN A HE21 11 ATOM 15482 H HE22 . GLN A 1 18 ? -6.657 3.483 -6.668 1.00 0.00 ? 18 GLN A HE22 11 ATOM 15483 N N . SER A 1 19 ? -5.124 4.063 0.063 1.00 0.00 ? 19 SER A N 11 ATOM 15484 C CA . SER A 1 19 ? -4.579 3.376 1.228 1.00 0.00 ? 19 SER A CA 11 ATOM 15485 C C . SER A 1 19 ? -5.526 2.279 1.705 1.00 0.00 ? 19 SER A C 11 ATOM 15486 O O . SER A 1 19 ? -5.119 1.133 1.899 1.00 0.00 ? 19 SER A O 11 ATOM 15487 C CB . SER A 1 19 ? -4.323 4.372 2.361 1.00 0.00 ? 19 SER A CB 11 ATOM 15488 O OG . SER A 1 19 ? -3.293 5.282 2.017 1.00 0.00 ? 19 SER A OG 11 ATOM 15489 H H . SER A 1 19 ? -5.134 5.043 0.047 1.00 0.00 ? 19 SER A H 11 ATOM 15490 H HA . SER A 1 19 ? -3.642 2.925 0.939 1.00 0.00 ? 19 SER A HA 11 ATOM 15491 H HB2 . SER A 1 19 ? -5.227 4.928 2.559 1.00 0.00 ? 19 SER A HB2 11 ATOM 15492 H HB3 . SER A 1 19 ? -4.030 3.833 3.251 1.00 0.00 ? 19 SER A HB3 11 ATOM 15493 H HG . SER A 1 19 ? -3.588 5.841 1.294 1.00 0.00 ? 19 SER A HG 11 ATOM 15494 N N . ARG A 1 20 ? -6.792 2.638 1.891 1.00 0.00 ? 20 ARG A N 11 ATOM 15495 C CA . ARG A 1 20 ? -7.798 1.686 2.346 1.00 0.00 ? 20 ARG A CA 11 ATOM 15496 C C . ARG A 1 20 ? -7.736 0.398 1.529 1.00 0.00 ? 20 ARG A C 11 ATOM 15497 O O . ARG A 1 20 ? -7.635 -0.696 2.084 1.00 0.00 ? 20 ARG A O 11 ATOM 15498 C CB . ARG A 1 20 ? -9.195 2.300 2.243 1.00 0.00 ? 20 ARG A CB 11 ATOM 15499 C CG . ARG A 1 20 ? -9.493 3.321 3.330 1.00 0.00 ? 20 ARG A CG 11 ATOM 15500 C CD . ARG A 1 20 ? -9.877 2.647 4.638 1.00 0.00 ? 20 ARG A CD 11 ATOM 15501 N NE . ARG A 1 20 ? -11.194 2.021 4.565 1.00 0.00 ? 20 ARG A NE 11 ATOM 15502 C CZ . ARG A 1 20 ? -11.725 1.309 5.553 1.00 0.00 ? 20 ARG A CZ 11 ATOM 15503 N NH1 . ARG A 1 20 ? -11.054 1.134 6.683 1.00 0.00 ? 20 ARG A NH1 11 ATOM 15504 N NH2 . ARG A 1 20 ? -12.929 0.770 5.411 1.00 0.00 ? 20 ARG A NH2 11 ATOM 15505 H H . ARG A 1 20 ? -7.056 3.567 1.719 1.00 0.00 ? 20 ARG A H 11 ATOM 15506 H HA . ARG A 1 20 ? -7.591 1.453 3.379 1.00 0.00 ? 20 ARG A HA 11 ATOM 15507 H HB2 . ARG A 1 20 ? -9.292 2.789 1.285 1.00 0.00 ? 20 ARG A HB2 11 ATOM 15508 H HB3 . ARG A 1 20 ? -9.928 1.511 2.312 1.00 0.00 ? 20 ARG A HB3 11 ATOM 15509 H HG2 . ARG A 1 20 ? -8.613 3.925 3.494 1.00 0.00 ? 20 ARG A HG2 11 ATOM 15510 H HG3 . ARG A 1 20 ? -10.309 3.950 3.006 1.00 0.00 ? 20 ARG A HG3 11 ATOM 15511 H HD2 . ARG A 1 20 ? -9.141 1.890 4.867 1.00 0.00 ? 20 ARG A HD2 11 ATOM 15512 H HD3 . ARG A 1 20 ? -9.884 3.390 5.421 1.00 0.00 ? 20 ARG A HD3 11 ATOM 15513 H HE . ARG A 1 20 ? -11.706 2.137 3.738 1.00 0.00 ? 20 ARG A HE 11 ATOM 15514 H HH11 . ARG A 1 20 ? -10.147 1.540 6.793 1.00 0.00 ? 20 ARG A HH11 11 ATOM 15515 H HH12 . ARG A 1 20 ? -11.457 0.599 7.426 1.00 0.00 ? 20 ARG A HH12 11 ATOM 15516 H HH21 . ARG A 1 20 ? -13.437 0.899 4.560 1.00 0.00 ? 20 ARG A HH21 11 ATOM 15517 H HH22 . ARG A 1 20 ? -13.327 0.234 6.155 1.00 0.00 ? 20 ARG A HH22 11 ATOM 15518 N N . ARG A 1 21 ? -7.798 0.537 0.209 1.00 0.00 ? 21 ARG A N 11 ATOM 15519 C CA . ARG A 1 21 ? -7.750 -0.615 -0.683 1.00 0.00 ? 21 ARG A CA 11 ATOM 15520 C C . ARG A 1 21 ? -6.589 -1.536 -0.321 1.00 0.00 ? 21 ARG A C 11 ATOM 15521 O O . ARG A 1 21 ? -6.776 -2.734 -0.111 1.00 0.00 ? 21 ARG A O 11 ATOM 15522 C CB . ARG A 1 21 ? -7.616 -0.156 -2.137 1.00 0.00 ? 21 ARG A CB 11 ATOM 15523 C CG . ARG A 1 21 ? -7.243 -1.274 -3.096 1.00 0.00 ? 21 ARG A CG 11 ATOM 15524 C CD . ARG A 1 21 ? -7.687 -0.960 -4.517 1.00 0.00 ? 21 ARG A CD 11 ATOM 15525 N NE . ARG A 1 21 ? -7.669 -2.145 -5.370 1.00 0.00 ? 21 ARG A NE 11 ATOM 15526 C CZ . ARG A 1 21 ? -8.125 -2.158 -6.618 1.00 0.00 ? 21 ARG A CZ 11 ATOM 15527 N NH1 . ARG A 1 21 ? -8.631 -1.057 -7.154 1.00 0.00 ? 21 ARG A NH1 11 ATOM 15528 N NH2 . ARG A 1 21 ? -8.074 -3.276 -7.331 1.00 0.00 ? 21 ARG A NH2 11 ATOM 15529 H H . ARG A 1 21 ? -7.878 1.436 -0.174 1.00 0.00 ? 21 ARG A H 11 ATOM 15530 H HA . ARG A 1 21 ? -8.675 -1.160 -0.571 1.00 0.00 ? 21 ARG A HA 11 ATOM 15531 H HB2 . ARG A 1 21 ? -8.558 0.265 -2.457 1.00 0.00 ? 21 ARG A HB2 11 ATOM 15532 H HB3 . ARG A 1 21 ? -6.854 0.606 -2.192 1.00 0.00 ? 21 ARG A HB3 11 ATOM 15533 H HG2 . ARG A 1 21 ? -6.171 -1.401 -3.086 1.00 0.00 ? 21 ARG A HG2 11 ATOM 15534 H HG3 . ARG A 1 21 ? -7.720 -2.187 -2.773 1.00 0.00 ? 21 ARG A HG3 11 ATOM 15535 H HD2 . ARG A 1 21 ? -8.691 -0.565 -4.487 1.00 0.00 ? 21 ARG A HD2 11 ATOM 15536 H HD3 . ARG A 1 21 ? -7.020 -0.218 -4.932 1.00 0.00 ? 21 ARG A HD3 11 ATOM 15537 H HE . ARG A 1 21 ? -7.299 -2.970 -4.994 1.00 0.00 ? 21 ARG A HE 11 ATOM 15538 H HH11 . ARG A 1 21 ? -8.670 -0.213 -6.619 1.00 0.00 ? 21 ARG A HH11 11 ATOM 15539 H HH12 . ARG A 1 21 ? -8.973 -1.070 -8.094 1.00 0.00 ? 21 ARG A HH12 11 ATOM 15540 H HH21 . ARG A 1 21 ? -7.693 -4.108 -6.930 1.00 0.00 ? 21 ARG A HH21 11 ATOM 15541 H HH22 . ARG A 1 21 ? -8.418 -3.286 -8.270 1.00 0.00 ? 21 ARG A HH22 11 ATOM 15542 N N . ALA A 1 22 ? -5.390 -0.968 -0.250 1.00 0.00 ? 22 ALA A N 11 ATOM 15543 C CA . ALA A 1 22 ? -4.199 -1.737 0.089 1.00 0.00 ? 22 ALA A CA 11 ATOM 15544 C C . ALA A 1 22 ? -4.413 -2.548 1.362 1.00 0.00 ? 22 ALA A C 11 ATOM 15545 O O . ALA A 1 22 ? -3.926 -3.673 1.482 1.00 0.00 ? 22 ALA A O 11 ATOM 15546 C CB . ALA A 1 22 ? -3.000 -0.813 0.245 1.00 0.00 ? 22 ALA A CB 11 ATOM 15547 H H . ALA A 1 22 ? -5.304 -0.008 -0.428 1.00 0.00 ? 22 ALA A H 11 ATOM 15548 H HA . ALA A 1 22 ? -3.996 -2.414 -0.728 1.00 0.00 ? 22 ALA A HA 11 ATOM 15549 H HB1 . ALA A 1 22 ? -3.060 -0.304 1.196 1.00 0.00 ? 22 ALA A HB1 11 ATOM 15550 H HB2 . ALA A 1 22 ? -2.090 -1.393 0.203 1.00 0.00 ? 22 ALA A HB2 11 ATOM 15551 H HB3 . ALA A 1 22 ? -3.001 -0.085 -0.553 1.00 0.00 ? 22 ALA A HB3 11 ATOM 15552 N N . ASP A 1 23 ? -5.143 -1.971 2.310 1.00 0.00 ? 23 ASP A N 11 ATOM 15553 C CA . ASP A 1 23 ? -5.421 -2.642 3.575 1.00 0.00 ? 23 ASP A CA 11 ATOM 15554 C C . ASP A 1 23 ? -6.433 -3.767 3.382 1.00 0.00 ? 23 ASP A C 11 ATOM 15555 O O . ASP A 1 23 ? -6.242 -4.878 3.876 1.00 0.00 ? 23 ASP A O 11 ATOM 15556 C CB . ASP A 1 23 ? -5.946 -1.639 4.603 1.00 0.00 ? 23 ASP A CB 11 ATOM 15557 C CG . ASP A 1 23 ? -4.828 -0.933 5.346 1.00 0.00 ? 23 ASP A CG 11 ATOM 15558 O OD1 . ASP A 1 23 ? -4.103 -1.608 6.106 1.00 0.00 ? 23 ASP A OD1 11 ATOM 15559 O OD2 . ASP A 1 23 ? -4.679 0.294 5.167 1.00 0.00 ? 23 ASP A OD2 11 ATOM 15560 H H . ASP A 1 23 ? -5.503 -1.073 2.155 1.00 0.00 ? 23 ASP A H 11 ATOM 15561 H HA . ASP A 1 23 ? -4.496 -3.064 3.937 1.00 0.00 ? 23 ASP A HA 11 ATOM 15562 H HB2 . ASP A 1 23 ? -6.543 -0.894 4.098 1.00 0.00 ? 23 ASP A HB2 11 ATOM 15563 H HB3 . ASP A 1 23 ? -6.560 -2.159 5.323 1.00 0.00 ? 23 ASP A HB3 11 ATOM 15564 N N . ARG A 1 24 ? -7.510 -3.471 2.661 1.00 0.00 ? 24 ARG A N 11 ATOM 15565 C CA . ARG A 1 24 ? -8.553 -4.457 2.405 1.00 0.00 ? 24 ARG A CA 11 ATOM 15566 C C . ARG A 1 24 ? -8.001 -5.639 1.613 1.00 0.00 ? 24 ARG A C 11 ATOM 15567 O O . ARG A 1 24 ? -8.531 -6.749 1.683 1.00 0.00 ? 24 ARG A O 11 ATOM 15568 C CB . ARG A 1 24 ? -9.714 -3.816 1.643 1.00 0.00 ? 24 ARG A CB 11 ATOM 15569 C CG . ARG A 1 24 ? -10.626 -2.973 2.519 1.00 0.00 ? 24 ARG A CG 11 ATOM 15570 C CD . ARG A 1 24 ? -11.603 -3.838 3.300 1.00 0.00 ? 24 ARG A CD 11 ATOM 15571 N NE . ARG A 1 24 ? -12.537 -4.538 2.422 1.00 0.00 ? 24 ARG A NE 11 ATOM 15572 C CZ . ARG A 1 24 ? -13.316 -5.536 2.824 1.00 0.00 ? 24 ARG A CZ 11 ATOM 15573 N NH1 . ARG A 1 24 ? -13.274 -5.948 4.084 1.00 0.00 ? 24 ARG A NH1 11 ATOM 15574 N NH2 . ARG A 1 24 ? -14.141 -6.123 1.966 1.00 0.00 ? 24 ARG A NH2 11 ATOM 15575 H H . ARG A 1 24 ? -7.605 -2.568 2.293 1.00 0.00 ? 24 ARG A H 11 ATOM 15576 H HA . ARG A 1 24 ? -8.913 -4.814 3.358 1.00 0.00 ? 24 ARG A HA 11 ATOM 15577 H HB2 . ARG A 1 24 ? -9.313 -3.183 0.865 1.00 0.00 ? 24 ARG A HB2 11 ATOM 15578 H HB3 . ARG A 1 24 ? -10.306 -4.597 1.190 1.00 0.00 ? 24 ARG A HB3 11 ATOM 15579 H HG2 . ARG A 1 24 ? -10.022 -2.412 3.216 1.00 0.00 ? 24 ARG A HG2 11 ATOM 15580 H HG3 . ARG A 1 24 ? -11.182 -2.292 1.892 1.00 0.00 ? 24 ARG A HG3 11 ATOM 15581 H HD2 . ARG A 1 24 ? -11.044 -4.566 3.868 1.00 0.00 ? 24 ARG A HD2 11 ATOM 15582 H HD3 . ARG A 1 24 ? -12.162 -3.206 3.975 1.00 0.00 ? 24 ARG A HD3 11 ATOM 15583 H HE . ARG A 1 24 ? -12.585 -4.249 1.487 1.00 0.00 ? 24 ARG A HE 11 ATOM 15584 H HH11 . ARG A 1 24 ? -12.655 -5.507 4.733 1.00 0.00 ? 24 ARG A HH11 11 ATOM 15585 H HH12 . ARG A 1 24 ? -13.863 -6.699 4.384 1.00 0.00 ? 24 ARG A HH12 11 ATOM 15586 H HH21 . ARG A 1 24 ? -14.176 -5.814 1.016 1.00 0.00 ? 24 ARG A HH21 11 ATOM 15587 H HH22 . ARG A 1 24 ? -14.727 -6.873 2.270 1.00 0.00 ? 24 ARG A HH22 11 ATOM 15588 N N . LEU A 1 25 ? -6.934 -5.393 0.860 1.00 0.00 ? 25 LEU A N 11 ATOM 15589 C CA . LEU A 1 25 ? -6.310 -6.437 0.053 1.00 0.00 ? 25 LEU A CA 11 ATOM 15590 C C . LEU A 1 25 ? -5.406 -7.318 0.909 1.00 0.00 ? 25 LEU A C 11 ATOM 15591 O O . LEU A 1 25 ? -5.403 -8.542 0.770 1.00 0.00 ? 25 LEU A O 11 ATOM 15592 C CB . LEU A 1 25 ? -5.503 -5.814 -1.087 1.00 0.00 ? 25 LEU A CB 11 ATOM 15593 C CG . LEU A 1 25 ? -6.316 -5.208 -2.232 1.00 0.00 ? 25 LEU A CG 11 ATOM 15594 C CD1 . LEU A 1 25 ? -5.475 -4.212 -3.015 1.00 0.00 ? 25 LEU A CD1 11 ATOM 15595 C CD2 . LEU A 1 25 ? -6.841 -6.303 -3.149 1.00 0.00 ? 25 LEU A CD2 11 ATOM 15596 H H . LEU A 1 25 ? -6.557 -4.489 0.845 1.00 0.00 ? 25 LEU A H 11 ATOM 15597 H HA . LEU A 1 25 ? -7.097 -7.047 -0.365 1.00 0.00 ? 25 LEU A HA 11 ATOM 15598 H HB2 . LEU A 1 25 ? -4.889 -5.031 -0.668 1.00 0.00 ? 25 LEU A HB2 11 ATOM 15599 H HB3 . LEU A 1 25 ? -4.868 -6.584 -1.501 1.00 0.00 ? 25 LEU A HB3 11 ATOM 15600 H HG . LEU A 1 25 ? -7.165 -4.679 -1.822 1.00 0.00 ? 25 LEU A HG 11 ATOM 15601 H HD11 . LEU A 1 25 ? -5.409 -3.286 -2.464 1.00 0.00 ? 25 LEU A HD11 11 ATOM 15602 H HD12 . LEU A 1 25 ? -5.935 -4.029 -3.974 1.00 0.00 ? 25 LEU A HD12 11 ATOM 15603 H HD13 . LEU A 1 25 ? -4.484 -4.615 -3.162 1.00 0.00 ? 25 LEU A HD13 11 ATOM 15604 H HD21 . LEU A 1 25 ? -7.916 -6.224 -3.225 1.00 0.00 ? 25 LEU A HD21 11 ATOM 15605 H HD22 . LEU A 1 25 ? -6.579 -7.269 -2.743 1.00 0.00 ? 25 LEU A HD22 11 ATOM 15606 H HD23 . LEU A 1 25 ? -6.402 -6.193 -4.130 1.00 0.00 ? 25 LEU A HD23 11 ATOM 15607 N N . LEU A 1 26 ? -4.643 -6.689 1.795 1.00 0.00 ? 26 LEU A N 11 ATOM 15608 C CA . LEU A 1 26 ? -3.735 -7.417 2.676 1.00 0.00 ? 26 LEU A CA 11 ATOM 15609 C C . LEU A 1 26 ? -4.487 -8.471 3.482 1.00 0.00 ? 26 LEU A C 11 ATOM 15610 O O . LEU A 1 26 ? -3.971 -9.559 3.734 1.00 0.00 ? 26 LEU A O 11 ATOM 15611 C CB . LEU A 1 26 ? -3.025 -6.447 3.622 1.00 0.00 ? 26 LEU A CB 11 ATOM 15612 C CG . LEU A 1 26 ? -2.499 -7.046 4.927 1.00 0.00 ? 26 LEU A CG 11 ATOM 15613 C CD1 . LEU A 1 26 ? -1.428 -8.088 4.643 1.00 0.00 ? 26 LEU A CD1 11 ATOM 15614 C CD2 . LEU A 1 26 ? -1.955 -5.953 5.835 1.00 0.00 ? 26 LEU A CD2 11 ATOM 15615 H H . LEU A 1 26 ? -4.689 -5.713 1.860 1.00 0.00 ? 26 LEU A H 11 ATOM 15616 H HA . LEU A 1 26 ? -2.999 -7.910 2.059 1.00 0.00 ? 26 LEU A HA 11 ATOM 15617 H HB2 . LEU A 1 26 ? -2.186 -6.024 3.092 1.00 0.00 ? 26 LEU A HB2 11 ATOM 15618 H HB3 . LEU A 1 26 ? -3.722 -5.661 3.874 1.00 0.00 ? 26 LEU A HB3 11 ATOM 15619 H HG . LEU A 1 26 ? -3.313 -7.537 5.444 1.00 0.00 ? 26 LEU A HG 11 ATOM 15620 H HD11 . LEU A 1 26 ? -1.207 -8.632 5.549 1.00 0.00 ? 26 LEU A HD11 11 ATOM 15621 H HD12 . LEU A 1 26 ? -0.534 -7.597 4.290 1.00 0.00 ? 26 LEU A HD12 11 ATOM 15622 H HD13 . LEU A 1 26 ? -1.784 -8.774 3.888 1.00 0.00 ? 26 LEU A HD13 11 ATOM 15623 H HD21 . LEU A 1 26 ? -2.727 -5.638 6.521 1.00 0.00 ? 26 LEU A HD21 11 ATOM 15624 H HD22 . LEU A 1 26 ? -1.641 -5.110 5.235 1.00 0.00 ? 26 LEU A HD22 11 ATOM 15625 H HD23 . LEU A 1 26 ? -1.112 -6.333 6.391 1.00 0.00 ? 26 LEU A HD23 11 ATOM 15626 N N . ALA A 1 27 ? -5.711 -8.142 3.881 1.00 0.00 ? 27 ALA A N 11 ATOM 15627 C CA . ALA A 1 27 ? -6.536 -9.062 4.655 1.00 0.00 ? 27 ALA A CA 11 ATOM 15628 C C . ALA A 1 27 ? -6.924 -10.281 3.825 1.00 0.00 ? 27 ALA A C 11 ATOM 15629 O O . ALA A 1 27 ? -7.029 -11.390 4.346 1.00 0.00 ? 27 ALA A O 11 ATOM 15630 C CB . ALA A 1 27 ? -7.781 -8.352 5.167 1.00 0.00 ? 27 ALA A CB 11 ATOM 15631 H H . ALA A 1 27 ? -6.068 -7.259 3.649 1.00 0.00 ? 27 ALA A H 11 ATOM 15632 H HA . ALA A 1 27 ? -5.961 -9.388 5.509 1.00 0.00 ? 27 ALA A HA 11 ATOM 15633 H HB1 . ALA A 1 27 ? -7.686 -8.182 6.229 1.00 0.00 ? 27 ALA A HB1 11 ATOM 15634 H HB2 . ALA A 1 27 ? -7.890 -7.405 4.658 1.00 0.00 ? 27 ALA A HB2 11 ATOM 15635 H HB3 . ALA A 1 27 ? -8.649 -8.965 4.976 1.00 0.00 ? 27 ALA A HB3 11 ATOM 15636 N N . ALA A 1 28 ? -7.137 -10.067 2.531 1.00 0.00 ? 28 ALA A N 11 ATOM 15637 C CA . ALA A 1 28 ? -7.512 -11.149 1.629 1.00 0.00 ? 28 ALA A CA 11 ATOM 15638 C C . ALA A 1 28 ? -6.280 -11.870 1.094 1.00 0.00 ? 28 ALA A C 11 ATOM 15639 O O . ALA A 1 28 ? -6.380 -12.715 0.206 1.00 0.00 ? 28 ALA A O 11 ATOM 15640 C CB . ALA A 1 28 ? -8.352 -10.611 0.479 1.00 0.00 ? 28 ALA A CB 11 ATOM 15641 H H . ALA A 1 28 ? -7.038 -9.160 2.174 1.00 0.00 ? 28 ALA A H 11 ATOM 15642 H HA . ALA A 1 28 ? -8.116 -11.852 2.184 1.00 0.00 ? 28 ALA A HA 11 ATOM 15643 H HB1 . ALA A 1 28 ? -7.702 -10.175 -0.266 1.00 0.00 ? 28 ALA A HB1 11 ATOM 15644 H HB2 . ALA A 1 28 ? -8.917 -11.418 0.038 1.00 0.00 ? 28 ALA A HB2 11 ATOM 15645 H HB3 . ALA A 1 28 ? -9.029 -9.857 0.851 1.00 0.00 ? 28 ALA A HB3 11 ATOM 15646 N N . GLY A 1 29 ? -5.116 -11.529 1.640 1.00 0.00 ? 29 GLY A N 11 ATOM 15647 C CA . GLY A 1 29 ? -3.881 -12.153 1.205 1.00 0.00 ? 29 GLY A CA 11 ATOM 15648 C C . GLY A 1 29 ? -3.405 -11.624 -0.134 1.00 0.00 ? 29 GLY A C 11 ATOM 15649 O O . GLY A 1 29 ? -2.530 -12.215 -0.768 1.00 0.00 ? 29 GLY A O 11 ATOM 15650 H H . GLY A 1 29 ? -5.097 -10.848 2.345 1.00 0.00 ? 29 GLY A H 11 ATOM 15651 H HA2 . GLY A 1 29 ? -3.117 -11.970 1.945 1.00 0.00 ? 29 GLY A HA2 11 ATOM 15652 H HA3 . GLY A 1 29 ? -4.039 -13.219 1.122 1.00 0.00 ? 29 GLY A HA3 11 ATOM 15653 N N . LYS A 1 30 ? -3.983 -10.509 -0.567 1.00 0.00 ? 30 LYS A N 11 ATOM 15654 C CA . LYS A 1 30 ? -3.613 -9.900 -1.839 1.00 0.00 ? 30 LYS A CA 11 ATOM 15655 C C . LYS A 1 30 ? -2.531 -8.843 -1.642 1.00 0.00 ? 30 LYS A C 11 ATOM 15656 O O . LYS A 1 30 ? -2.806 -7.644 -1.682 1.00 0.00 ? 30 LYS A O 11 ATOM 15657 C CB . LYS A 1 30 ? -4.841 -9.270 -2.502 1.00 0.00 ? 30 LYS A CB 11 ATOM 15658 C CG . LYS A 1 30 ? -5.936 -10.271 -2.829 1.00 0.00 ? 30 LYS A CG 11 ATOM 15659 C CD . LYS A 1 30 ? -5.760 -10.855 -4.220 1.00 0.00 ? 30 LYS A CD 11 ATOM 15660 C CE . LYS A 1 30 ? -7.093 -11.272 -4.822 1.00 0.00 ? 30 LYS A CE 11 ATOM 15661 N NZ . LYS A 1 30 ? -7.432 -12.685 -4.494 1.00 0.00 ? 30 LYS A NZ 11 ATOM 15662 H H . LYS A 1 30 ? -4.674 -10.085 -0.016 1.00 0.00 ? 30 LYS A H 11 ATOM 15663 H HA . LYS A 1 30 ? -3.228 -10.678 -2.480 1.00 0.00 ? 30 LYS A HA 11 ATOM 15664 H HB2 . LYS A 1 30 ? -5.251 -8.524 -1.838 1.00 0.00 ? 30 LYS A HB2 11 ATOM 15665 H HB3 . LYS A 1 30 ? -4.533 -8.792 -3.421 1.00 0.00 ? 30 LYS A HB3 11 ATOM 15666 H HG2 . LYS A 1 30 ? -5.905 -11.074 -2.107 1.00 0.00 ? 30 LYS A HG2 11 ATOM 15667 H HG3 . LYS A 1 30 ? -6.893 -9.773 -2.776 1.00 0.00 ? 30 LYS A HG3 11 ATOM 15668 H HD2 . LYS A 1 30 ? -5.306 -10.112 -4.859 1.00 0.00 ? 30 LYS A HD2 11 ATOM 15669 H HD3 . LYS A 1 30 ? -5.116 -11.721 -4.159 1.00 0.00 ? 30 LYS A HD3 11 ATOM 15670 H HE2 . LYS A 1 30 ? -7.865 -10.626 -4.435 1.00 0.00 ? 30 LYS A HE2 11 ATOM 15671 H HE3 . LYS A 1 30 ? -7.037 -11.164 -5.896 1.00 0.00 ? 30 LYS A HE3 11 ATOM 15672 H HZ1 . LYS A 1 30 ? -6.730 -13.327 -4.915 1.00 0.00 ? 30 LYS A HZ1 11 ATOM 15673 H HZ2 . LYS A 1 30 ? -8.372 -12.923 -4.870 1.00 0.00 ? 30 LYS A HZ2 11 ATOM 15674 H HZ3 . LYS A 1 30 ? -7.438 -12.821 -3.463 1.00 0.00 ? 30 LYS A HZ3 11 ATOM 15675 N N . TYR A 1 31 ? -1.300 -9.296 -1.431 1.00 0.00 ? 31 TYR A N 11 ATOM 15676 C CA . TYR A 1 31 ? -0.177 -8.389 -1.227 1.00 0.00 ? 31 TYR A CA 11 ATOM 15677 C C . TYR A 1 31 ? 0.120 -7.595 -2.496 1.00 0.00 ? 31 TYR A C 11 ATOM 15678 O O . TYR A 1 31 ? -0.006 -6.372 -2.519 1.00 0.00 ? 31 TYR A O 11 ATOM 15679 C CB . TYR A 1 31 ? 1.066 -9.171 -0.799 1.00 0.00 ? 31 TYR A CB 11 ATOM 15680 C CG . TYR A 1 31 ? 0.871 -9.970 0.470 1.00 0.00 ? 31 TYR A CG 11 ATOM 15681 C CD1 . TYR A 1 31 ? 0.983 -9.367 1.717 1.00 0.00 ? 31 TYR A CD1 11 ATOM 15682 C CD2 . TYR A 1 31 ? 0.577 -11.327 0.422 1.00 0.00 ? 31 TYR A CD2 11 ATOM 15683 C CE1 . TYR A 1 31 ? 0.806 -10.093 2.879 1.00 0.00 ? 31 TYR A CE1 11 ATOM 15684 C CE2 . TYR A 1 31 ? 0.398 -12.060 1.579 1.00 0.00 ? 31 TYR A CE2 11 ATOM 15685 C CZ . TYR A 1 31 ? 0.514 -11.439 2.805 1.00 0.00 ? 31 TYR A CZ 11 ATOM 15686 O OH . TYR A 1 31 ? 0.337 -12.166 3.960 1.00 0.00 ? 31 TYR A OH 11 ATOM 15687 H H . TYR A 1 31 ? -1.143 -10.263 -1.410 1.00 0.00 ? 31 TYR A H 11 ATOM 15688 H HA . TYR A 1 31 ? -0.445 -7.700 -0.440 1.00 0.00 ? 31 TYR A HA 11 ATOM 15689 H HB2 . TYR A 1 31 ? 1.338 -9.859 -1.584 1.00 0.00 ? 31 TYR A HB2 11 ATOM 15690 H HB3 . TYR A 1 31 ? 1.879 -8.479 -0.635 1.00 0.00 ? 31 TYR A HB3 11 ATOM 15691 H HD1 . TYR A 1 31 ? 1.212 -8.313 1.772 1.00 0.00 ? 31 TYR A HD1 11 ATOM 15692 H HD2 . TYR A 1 31 ? 0.488 -11.810 -0.540 1.00 0.00 ? 31 TYR A HD2 11 ATOM 15693 H HE1 . TYR A 1 31 ? 0.896 -9.607 3.840 1.00 0.00 ? 31 TYR A HE1 11 ATOM 15694 H HE2 . TYR A 1 31 ? 0.169 -13.114 1.521 1.00 0.00 ? 31 TYR A HE2 11 ATOM 15695 H HH . TYR A 1 31 ? -0.256 -12.901 3.787 1.00 0.00 ? 31 TYR A HH 11 ATOM 15696 N N . GLU A 1 32 ? 0.514 -8.303 -3.550 1.00 0.00 ? 32 GLU A N 11 ATOM 15697 C CA . GLU A 1 32 ? 0.829 -7.665 -4.823 1.00 0.00 ? 32 GLU A CA 11 ATOM 15698 C C . GLU A 1 32 ? -0.176 -6.562 -5.142 1.00 0.00 ? 32 GLU A C 11 ATOM 15699 O O . GLU A 1 32 ? 0.199 -5.477 -5.585 1.00 0.00 ? 32 GLU A O 11 ATOM 15700 C CB . GLU A 1 32 ? 0.841 -8.701 -5.949 1.00 0.00 ? 32 GLU A CB 11 ATOM 15701 C CG . GLU A 1 32 ? 1.249 -8.131 -7.297 1.00 0.00 ? 32 GLU A CG 11 ATOM 15702 C CD . GLU A 1 32 ? 0.066 -7.621 -8.097 1.00 0.00 ? 32 GLU A CD 11 ATOM 15703 O OE1 . GLU A 1 32 ? -0.947 -7.235 -7.476 1.00 0.00 ? 32 GLU A OE1 11 ATOM 15704 O OE2 . GLU A 1 32 ? 0.153 -7.607 -9.342 1.00 0.00 ? 32 GLU A OE2 11 ATOM 15705 H H . GLU A 1 32 ? 0.596 -9.276 -3.469 1.00 0.00 ? 32 GLU A H 11 ATOM 15706 H HA . GLU A 1 32 ? 1.812 -7.227 -4.740 1.00 0.00 ? 32 GLU A HA 11 ATOM 15707 H HB2 . GLU A 1 32 ? 1.532 -9.489 -5.690 1.00 0.00 ? 32 GLU A HB2 11 ATOM 15708 H HB3 . GLU A 1 32 ? -0.150 -9.121 -6.045 1.00 0.00 ? 32 GLU A HB3 11 ATOM 15709 H HG2 . GLU A 1 32 ? 1.934 -7.312 -7.134 1.00 0.00 ? 32 GLU A HG2 11 ATOM 15710 H HG3 . GLU A 1 32 ? 1.743 -8.905 -7.866 1.00 0.00 ? 32 GLU A HG3 11 ATOM 15711 N N . GLU A 1 33 ? -1.454 -6.850 -4.914 1.00 0.00 ? 33 GLU A N 11 ATOM 15712 C CA . GLU A 1 33 ? -2.512 -5.883 -5.179 1.00 0.00 ? 33 GLU A CA 11 ATOM 15713 C C . GLU A 1 33 ? -2.345 -4.641 -4.308 1.00 0.00 ? 33 GLU A C 11 ATOM 15714 O O . GLU A 1 33 ? -2.574 -3.519 -4.759 1.00 0.00 ? 33 GLU A O 11 ATOM 15715 C CB . GLU A 1 33 ? -3.884 -6.514 -4.929 1.00 0.00 ? 33 GLU A CB 11 ATOM 15716 C CG . GLU A 1 33 ? -4.201 -7.670 -5.862 1.00 0.00 ? 33 GLU A CG 11 ATOM 15717 C CD . GLU A 1 33 ? -4.507 -7.211 -7.275 1.00 0.00 ? 33 GLU A CD 11 ATOM 15718 O OE1 . GLU A 1 33 ? -5.135 -6.143 -7.429 1.00 0.00 ? 33 GLU A OE1 11 ATOM 15719 O OE2 . GLU A 1 33 ? -4.120 -7.921 -8.227 1.00 0.00 ? 33 GLU A OE2 11 ATOM 15720 H H . GLU A 1 33 ? -1.690 -7.733 -4.560 1.00 0.00 ? 33 GLU A H 11 ATOM 15721 H HA . GLU A 1 33 ? -2.444 -5.592 -6.216 1.00 0.00 ? 33 GLU A HA 11 ATOM 15722 H HB2 . GLU A 1 33 ? -3.919 -6.878 -3.913 1.00 0.00 ? 33 GLU A HB2 11 ATOM 15723 H HB3 . GLU A 1 33 ? -4.643 -5.756 -5.057 1.00 0.00 ? 33 GLU A HB3 11 ATOM 15724 H HG2 . GLU A 1 33 ? -3.352 -8.335 -5.892 1.00 0.00 ? 33 GLU A HG2 11 ATOM 15725 H HG3 . GLU A 1 33 ? -5.060 -8.201 -5.478 1.00 0.00 ? 33 GLU A HG3 11 ATOM 15726 N N . ALA A 1 34 ? -1.946 -4.851 -3.058 1.00 0.00 ? 34 ALA A N 11 ATOM 15727 C CA . ALA A 1 34 ? -1.747 -3.750 -2.124 1.00 0.00 ? 34 ALA A CA 11 ATOM 15728 C C . ALA A 1 34 ? -0.514 -2.932 -2.495 1.00 0.00 ? 34 ALA A C 11 ATOM 15729 O O . ALA A 1 34 ? -0.507 -1.708 -2.363 1.00 0.00 ? 34 ALA A O 11 ATOM 15730 C CB . ALA A 1 34 ? -1.623 -4.279 -0.703 1.00 0.00 ? 34 ALA A CB 11 ATOM 15731 H H . ALA A 1 34 ? -1.780 -5.769 -2.758 1.00 0.00 ? 34 ALA A H 11 ATOM 15732 H HA . ALA A 1 34 ? -2.617 -3.111 -2.170 1.00 0.00 ? 34 ALA A HA 11 ATOM 15733 H HB1 . ALA A 1 34 ? -2.329 -3.765 -0.066 1.00 0.00 ? 34 ALA A HB1 11 ATOM 15734 H HB2 . ALA A 1 34 ? -1.834 -5.338 -0.694 1.00 0.00 ? 34 ALA A HB2 11 ATOM 15735 H HB3 . ALA A 1 34 ? -0.621 -4.107 -0.341 1.00 0.00 ? 34 ALA A HB3 11 ATOM 15736 N N . ILE A 1 35 ? 0.527 -3.616 -2.959 1.00 0.00 ? 35 ILE A N 11 ATOM 15737 C CA . ILE A 1 35 ? 1.764 -2.952 -3.348 1.00 0.00 ? 35 ILE A CA 11 ATOM 15738 C C . ILE A 1 35 ? 1.488 -1.783 -4.288 1.00 0.00 ? 35 ILE A C 11 ATOM 15739 O O . ILE A 1 35 ? 1.665 -0.622 -3.920 1.00 0.00 ? 35 ILE A O 11 ATOM 15740 C CB . ILE A 1 35 ? 2.736 -3.929 -4.035 1.00 0.00 ? 35 ILE A CB 11 ATOM 15741 C CG1 . ILE A 1 35 ? 3.131 -5.050 -3.071 1.00 0.00 ? 35 ILE A CG1 11 ATOM 15742 C CG2 . ILE A 1 35 ? 3.969 -3.190 -4.531 1.00 0.00 ? 35 ILE A CG2 11 ATOM 15743 C CD1 . ILE A 1 35 ? 3.948 -6.145 -3.721 1.00 0.00 ? 35 ILE A CD1 11 ATOM 15744 H H . ILE A 1 35 ? 0.460 -4.590 -3.041 1.00 0.00 ? 35 ILE A H 11 ATOM 15745 H HA . ILE A 1 35 ? 2.237 -2.575 -2.452 1.00 0.00 ? 35 ILE A HA 11 ATOM 15746 H HB . ILE A 1 35 ? 2.235 -4.359 -4.889 1.00 0.00 ? 35 ILE A HB 11 ATOM 15747 H HG12 . ILE A 1 35 ? 3.716 -4.635 -2.266 1.00 0.00 ? 35 ILE A HG12 11 ATOM 15748 H HG13 . ILE A 1 35 ? 2.236 -5.499 -2.666 1.00 0.00 ? 35 ILE A HG13 11 ATOM 15749 H HG21 . ILE A 1 35 ? 4.832 -3.508 -3.963 1.00 0.00 ? 35 ILE A HG21 11 ATOM 15750 H HG22 . ILE A 1 35 ? 4.126 -3.411 -5.576 1.00 0.00 ? 35 ILE A HG22 11 ATOM 15751 H HG23 . ILE A 1 35 ? 3.827 -2.127 -4.404 1.00 0.00 ? 35 ILE A HG23 11 ATOM 15752 H HD11 . ILE A 1 35 ? 3.472 -7.100 -3.551 1.00 0.00 ? 35 ILE A HD11 11 ATOM 15753 H HD12 . ILE A 1 35 ? 4.019 -5.961 -4.782 1.00 0.00 ? 35 ILE A HD12 11 ATOM 15754 H HD13 . ILE A 1 35 ? 4.940 -6.157 -3.291 1.00 0.00 ? 35 ILE A HD13 11 ATOM 15755 N N . SER A 1 36 ? 1.052 -2.098 -5.504 1.00 0.00 ? 36 SER A N 11 ATOM 15756 C CA . SER A 1 36 ? 0.753 -1.074 -6.498 1.00 0.00 ? 36 SER A CA 11 ATOM 15757 C C . SER A 1 36 ? 0.113 0.147 -5.844 1.00 0.00 ? 36 SER A C 11 ATOM 15758 O O . SER A 1 36 ? 0.670 1.245 -5.878 1.00 0.00 ? 36 SER A O 11 ATOM 15759 C CB . SER A 1 36 ? -0.177 -1.636 -7.575 1.00 0.00 ? 36 SER A CB 11 ATOM 15760 O OG . SER A 1 36 ? -1.130 -2.522 -7.015 1.00 0.00 ? 36 SER A OG 11 ATOM 15761 H H . SER A 1 36 ? 0.930 -3.042 -5.737 1.00 0.00 ? 36 SER A H 11 ATOM 15762 H HA . SER A 1 36 ? 1.683 -0.776 -6.957 1.00 0.00 ? 36 SER A HA 11 ATOM 15763 H HB2 . SER A 1 36 ? -0.699 -0.823 -8.056 1.00 0.00 ? 36 SER A HB2 11 ATOM 15764 H HB3 . SER A 1 36 ? 0.409 -2.172 -8.308 1.00 0.00 ? 36 SER A HB3 11 ATOM 15765 H HG . SER A 1 36 ? -1.982 -2.083 -6.958 1.00 0.00 ? 36 SER A HG 11 ATOM 15766 N N . CYS A 1 37 ? -1.058 -0.053 -5.251 1.00 0.00 ? 37 CYS A N 11 ATOM 15767 C CA . CYS A 1 37 ? -1.776 1.032 -4.590 1.00 0.00 ? 37 CYS A CA 11 ATOM 15768 C C . CYS A 1 37 ? -0.805 1.978 -3.890 1.00 0.00 ? 37 CYS A C 11 ATOM 15769 O O . CYS A 1 37 ? -0.925 3.199 -3.997 1.00 0.00 ? 37 CYS A O 11 ATOM 15770 C CB . CYS A 1 37 ? -2.776 0.468 -3.580 1.00 0.00 ? 37 CYS A CB 11 ATOM 15771 S SG . CYS A 1 37 ? -4.394 0.074 -4.285 1.00 0.00 ? 37 CYS A SG 11 ATOM 15772 H H . CYS A 1 37 ? -1.451 -0.950 -5.258 1.00 0.00 ? 37 CYS A H 11 ATOM 15773 H HA . CYS A 1 37 ? -2.313 1.583 -5.347 1.00 0.00 ? 37 CYS A HA 11 ATOM 15774 H HB2 . CYS A 1 37 ? -2.374 -0.439 -3.155 1.00 0.00 ? 37 CYS A HB2 11 ATOM 15775 H HB3 . CYS A 1 37 ? -2.927 1.191 -2.792 1.00 0.00 ? 37 CYS A HB3 11 ATOM 15776 H HG . CYS A 1 37 ? -5.295 0.843 -3.694 1.00 0.00 ? 37 CYS A HG 11 ATOM 15777 N N . HIS A 1 38 ? 0.155 1.406 -3.171 1.00 0.00 ? 38 HIS A N 11 ATOM 15778 C CA . HIS A 1 38 ? 1.146 2.198 -2.451 1.00 0.00 ? 38 HIS A CA 11 ATOM 15779 C C . HIS A 1 38 ? 2.056 2.943 -3.423 1.00 0.00 ? 38 HIS A C 11 ATOM 15780 O O . HIS A 1 38 ? 2.301 4.139 -3.267 1.00 0.00 ? 38 HIS A O 11 ATOM 15781 C CB . HIS A 1 38 ? 1.982 1.301 -1.538 1.00 0.00 ? 38 HIS A CB 11 ATOM 15782 C CG . HIS A 1 38 ? 1.248 0.842 -0.316 1.00 0.00 ? 38 HIS A CG 11 ATOM 15783 N ND1 . HIS A 1 38 ? 0.769 1.708 0.645 1.00 0.00 ? 38 HIS A ND1 11 ATOM 15784 C CD2 . HIS A 1 38 ? 0.911 -0.402 0.099 1.00 0.00 ? 38 HIS A CD2 11 ATOM 15785 C CE1 . HIS A 1 38 ? 0.170 1.017 1.598 1.00 0.00 ? 38 HIS A CE1 11 ATOM 15786 N NE2 . HIS A 1 38 ? 0.242 -0.266 1.291 1.00 0.00 ? 38 HIS A NE2 11 ATOM 15787 H H . HIS A 1 38 ? 0.199 0.428 -3.124 1.00 0.00 ? 38 HIS A H 11 ATOM 15788 H HA . HIS A 1 38 ? 0.618 2.920 -1.847 1.00 0.00 ? 38 HIS A HA 11 ATOM 15789 H HB2 . HIS A 1 38 ? 2.289 0.425 -2.088 1.00 0.00 ? 38 HIS A HB2 11 ATOM 15790 H HB3 . HIS A 1 38 ? 2.859 1.844 -1.215 1.00 0.00 ? 38 HIS A HB3 11 ATOM 15791 H HD1 . HIS A 1 38 ? 0.857 2.683 0.630 1.00 0.00 ? 38 HIS A HD1 11 ATOM 15792 H HD2 . HIS A 1 38 ? 1.127 -1.330 -0.411 1.00 0.00 ? 38 HIS A HD2 11 ATOM 15793 H HE1 . HIS A 1 38 ? -0.299 1.429 2.479 1.00 0.00 ? 38 HIS A HE1 11 ATOM 15794 H HE2 . HIS A 1 38 ? -0.048 -1.002 1.869 1.00 0.00 ? 38 HIS A HE2 11 ATOM 15795 N N . ARG A 1 39 ? 2.555 2.228 -4.426 1.00 0.00 ? 39 ARG A N 11 ATOM 15796 C CA . ARG A 1 39 ? 3.439 2.820 -5.422 1.00 0.00 ? 39 ARG A CA 11 ATOM 15797 C C . ARG A 1 39 ? 2.760 3.994 -6.123 1.00 0.00 ? 39 ARG A C 11 ATOM 15798 O O . ARG A 1 39 ? 3.391 5.012 -6.405 1.00 0.00 ? 39 ARG A O 11 ATOM 15799 C CB . ARG A 1 39 ? 3.858 1.770 -6.453 1.00 0.00 ? 39 ARG A CB 11 ATOM 15800 C CG . ARG A 1 39 ? 4.646 0.615 -5.859 1.00 0.00 ? 39 ARG A CG 11 ATOM 15801 C CD . ARG A 1 39 ? 4.927 -0.460 -6.897 1.00 0.00 ? 39 ARG A CD 11 ATOM 15802 N NE . ARG A 1 39 ? 3.870 -1.467 -6.942 1.00 0.00 ? 39 ARG A NE 11 ATOM 15803 C CZ . ARG A 1 39 ? 3.636 -2.241 -7.996 1.00 0.00 ? 39 ARG A CZ 11 ATOM 15804 N NH1 . ARG A 1 39 ? 4.381 -2.124 -9.087 1.00 0.00 ? 39 ARG A NH1 11 ATOM 15805 N NH2 . ARG A 1 39 ? 2.655 -3.134 -7.961 1.00 0.00 ? 39 ARG A NH2 11 ATOM 15806 H H . ARG A 1 39 ? 2.323 1.278 -4.498 1.00 0.00 ? 39 ARG A H 11 ATOM 15807 H HA . ARG A 1 39 ? 4.319 3.182 -4.911 1.00 0.00 ? 39 ARG A HA 11 ATOM 15808 H HB2 . ARG A 1 39 ? 2.972 1.369 -6.922 1.00 0.00 ? 39 ARG A HB2 11 ATOM 15809 H HB3 . ARG A 1 39 ? 4.469 2.246 -7.205 1.00 0.00 ? 39 ARG A HB3 11 ATOM 15810 H HG2 . ARG A 1 39 ? 5.587 0.989 -5.482 1.00 0.00 ? 39 ARG A HG2 11 ATOM 15811 H HG3 . ARG A 1 39 ? 4.078 0.182 -5.049 1.00 0.00 ? 39 ARG A HG3 11 ATOM 15812 H HD2 . ARG A 1 39 ? 5.007 0.007 -7.867 1.00 0.00 ? 39 ARG A HD2 11 ATOM 15813 H HD3 . ARG A 1 39 ? 5.861 -0.943 -6.653 1.00 0.00 ? 39 ARG A HD3 11 ATOM 15814 H HE . ARG A 1 39 ? 3.307 -1.570 -6.147 1.00 0.00 ? 39 ARG A HE 11 ATOM 15815 H HH11 . ARG A 1 39 ? 5.121 -1.452 -9.116 1.00 0.00 ? 39 ARG A HH11 11 ATOM 15816 H HH12 . ARG A 1 39 ? 4.203 -2.708 -9.879 1.00 0.00 ? 39 ARG A HH12 11 ATOM 15817 H HH21 . ARG A 1 39 ? 2.091 -3.225 -7.140 1.00 0.00 ? 39 ARG A HH21 11 ATOM 15818 H HH22 . ARG A 1 39 ? 2.480 -3.715 -8.754 1.00 0.00 ? 39 ARG A HH22 11 ATOM 15819 N N . LYS A 1 40 ? 1.470 3.843 -6.401 1.00 0.00 ? 40 LYS A N 11 ATOM 15820 C CA . LYS A 1 40 ? 0.703 4.889 -7.068 1.00 0.00 ? 40 LYS A CA 11 ATOM 15821 C C . LYS A 1 40 ? 0.583 6.125 -6.181 1.00 0.00 ? 40 LYS A C 11 ATOM 15822 O O . LYS A 1 40 ? 0.650 7.255 -6.664 1.00 0.00 ? 40 LYS A O 11 ATOM 15823 C CB . LYS A 1 40 ? -0.690 4.374 -7.434 1.00 0.00 ? 40 LYS A CB 11 ATOM 15824 C CG . LYS A 1 40 ? -0.674 3.042 -8.164 1.00 0.00 ? 40 LYS A CG 11 ATOM 15825 C CD . LYS A 1 40 ? -1.989 2.783 -8.881 1.00 0.00 ? 40 LYS A CD 11 ATOM 15826 C CE . LYS A 1 40 ? -2.975 2.046 -7.988 1.00 0.00 ? 40 LYS A CE 11 ATOM 15827 N NZ . LYS A 1 40 ? -4.068 1.412 -8.775 1.00 0.00 ? 40 LYS A NZ 11 ATOM 15828 H H . LYS A 1 40 ? 1.021 3.008 -6.151 1.00 0.00 ? 40 LYS A H 11 ATOM 15829 H HA . LYS A 1 40 ? 1.227 5.159 -7.972 1.00 0.00 ? 40 LYS A HA 11 ATOM 15830 H HB2 . LYS A 1 40 ? -1.268 4.258 -6.529 1.00 0.00 ? 40 LYS A HB2 11 ATOM 15831 H HB3 . LYS A 1 40 ? -1.175 5.103 -8.069 1.00 0.00 ? 40 LYS A HB3 11 ATOM 15832 H HG2 . LYS A 1 40 ? 0.124 3.050 -8.891 1.00 0.00 ? 40 LYS A HG2 11 ATOM 15833 H HG3 . LYS A 1 40 ? -0.504 2.252 -7.447 1.00 0.00 ? 40 LYS A HG3 11 ATOM 15834 H HD2 . LYS A 1 40 ? -2.422 3.728 -9.173 1.00 0.00 ? 40 LYS A HD2 11 ATOM 15835 H HD3 . LYS A 1 40 ? -1.797 2.186 -9.761 1.00 0.00 ? 40 LYS A HD3 11 ATOM 15836 H HE2 . LYS A 1 40 ? -2.444 1.280 -7.443 1.00 0.00 ? 40 LYS A HE2 11 ATOM 15837 H HE3 . LYS A 1 40 ? -3.406 2.750 -7.292 1.00 0.00 ? 40 LYS A HE3 11 ATOM 15838 H HZ1 . LYS A 1 40 ? -3.936 1.603 -9.789 1.00 0.00 ? 40 LYS A HZ1 11 ATOM 15839 H HZ2 . LYS A 1 40 ? -4.989 1.794 -8.479 1.00 0.00 ? 40 LYS A HZ2 11 ATOM 15840 H HZ3 . LYS A 1 40 ? -4.067 0.383 -8.624 1.00 0.00 ? 40 LYS A HZ3 11 ATOM 15841 N N . ALA A 1 41 ? 0.408 5.901 -4.883 1.00 0.00 ? 41 ALA A N 11 ATOM 15842 C CA . ALA A 1 41 ? 0.283 6.997 -3.929 1.00 0.00 ? 41 ALA A CA 11 ATOM 15843 C C . ALA A 1 41 ? 1.609 7.728 -3.756 1.00 0.00 ? 41 ALA A C 11 ATOM 15844 O O . ALA A 1 41 ? 1.686 8.946 -3.925 1.00 0.00 ? 41 ALA A O 11 ATOM 15845 C CB . ALA A 1 41 ? -0.214 6.475 -2.589 1.00 0.00 ? 41 ALA A CB 11 ATOM 15846 H H . ALA A 1 41 ? 0.363 4.978 -4.559 1.00 0.00 ? 41 ALA A H 11 ATOM 15847 H HA . ALA A 1 41 ? -0.452 7.690 -4.312 1.00 0.00 ? 41 ALA A HA 11 ATOM 15848 H HB1 . ALA A 1 41 ? 0.555 5.866 -2.134 1.00 0.00 ? 41 ALA A HB1 11 ATOM 15849 H HB2 . ALA A 1 41 ? -0.444 7.308 -1.942 1.00 0.00 ? 41 ALA A HB2 11 ATOM 15850 H HB3 . ALA A 1 41 ? -1.102 5.880 -2.741 1.00 0.00 ? 41 ALA A HB3 11 ATOM 15851 N N . THR A 1 42 ? 2.654 6.979 -3.417 1.00 0.00 ? 42 THR A N 11 ATOM 15852 C CA . THR A 1 42 ? 3.977 7.556 -3.219 1.00 0.00 ? 42 THR A CA 11 ATOM 15853 C C . THR A 1 42 ? 4.369 8.447 -4.393 1.00 0.00 ? 42 THR A C 11 ATOM 15854 O O . THR A 1 42 ? 5.009 9.484 -4.213 1.00 0.00 ? 42 THR A O 11 ATOM 15855 C CB . THR A 1 42 ? 5.046 6.462 -3.040 1.00 0.00 ? 42 THR A CB 11 ATOM 15856 O OG1 . THR A 1 42 ? 5.050 5.591 -4.176 1.00 0.00 ? 42 THR A OG1 11 ATOM 15857 C CG2 . THR A 1 42 ? 4.789 5.656 -1.776 1.00 0.00 ? 42 THR A CG2 11 ATOM 15858 H H . THR A 1 42 ? 2.529 6.014 -3.297 1.00 0.00 ? 42 THR A H 11 ATOM 15859 H HA . THR A 1 42 ? 3.949 8.154 -2.320 1.00 0.00 ? 42 THR A HA 11 ATOM 15860 H HB . THR A 1 42 ? 6.014 6.936 -2.956 1.00 0.00 ? 42 THR A HB 11 ATOM 15861 H HG1 . THR A 1 42 ? 5.750 5.853 -4.779 1.00 0.00 ? 42 THR A HG1 11 ATOM 15862 H HG21 . THR A 1 42 ? 5.421 4.780 -1.773 1.00 0.00 ? 42 THR A HG21 11 ATOM 15863 H HG22 . THR A 1 42 ? 3.753 5.352 -1.748 1.00 0.00 ? 42 THR A HG22 11 ATOM 15864 H HG23 . THR A 1 42 ? 5.010 6.263 -0.911 1.00 0.00 ? 42 THR A HG23 11 ATOM 15865 N N . THR A 1 43 ? 3.981 8.037 -5.597 1.00 0.00 ? 43 THR A N 11 ATOM 15866 C CA . THR A 1 43 ? 4.293 8.798 -6.800 1.00 0.00 ? 43 THR A CA 11 ATOM 15867 C C . THR A 1 43 ? 3.594 10.153 -6.790 1.00 0.00 ? 43 THR A C 11 ATOM 15868 O O . THR A 1 43 ? 4.228 11.190 -6.988 1.00 0.00 ? 43 THR A O 11 ATOM 15869 C CB . THR A 1 43 ? 3.882 8.031 -8.071 1.00 0.00 ? 43 THR A CB 11 ATOM 15870 O OG1 . THR A 1 43 ? 4.619 6.807 -8.164 1.00 0.00 ? 43 THR A OG1 11 ATOM 15871 C CG2 . THR A 1 43 ? 4.129 8.873 -9.314 1.00 0.00 ? 43 THR A CG2 11 ATOM 15872 H H . THR A 1 43 ? 3.474 7.203 -5.676 1.00 0.00 ? 43 THR A H 11 ATOM 15873 H HA . THR A 1 43 ? 5.361 8.954 -6.828 1.00 0.00 ? 43 THR A HA 11 ATOM 15874 H HB . THR A 1 43 ? 2.827 7.804 -8.012 1.00 0.00 ? 43 THR A HB 11 ATOM 15875 H HG1 . THR A 1 43 ? 4.538 6.451 -9.052 1.00 0.00 ? 43 THR A HG1 11 ATOM 15876 H HG21 . THR A 1 43 ? 4.527 9.834 -9.025 1.00 0.00 ? 43 THR A HG21 11 ATOM 15877 H HG22 . THR A 1 43 ? 3.199 9.012 -9.845 1.00 0.00 ? 43 THR A HG22 11 ATOM 15878 H HG23 . THR A 1 43 ? 4.837 8.369 -9.955 1.00 0.00 ? 43 THR A HG23 11 ATOM 15879 N N . TYR A 1 44 ? 2.287 10.138 -6.558 1.00 0.00 ? 44 TYR A N 11 ATOM 15880 C CA . TYR A 1 44 ? 1.502 11.366 -6.524 1.00 0.00 ? 44 TYR A CA 11 ATOM 15881 C C . TYR A 1 44 ? 1.953 12.269 -5.380 1.00 0.00 ? 44 TYR A C 11 ATOM 15882 O O . TYR A 1 44 ? 2.173 13.466 -5.567 1.00 0.00 ? 44 TYR A O 11 ATOM 15883 C CB . TYR A 1 44 ? 0.014 11.042 -6.377 1.00 0.00 ? 44 TYR A CB 11 ATOM 15884 C CG . TYR A 1 44 ? -0.840 12.248 -6.059 1.00 0.00 ? 44 TYR A CG 11 ATOM 15885 C CD1 . TYR A 1 44 ? -0.679 13.440 -6.755 1.00 0.00 ? 44 TYR A CD1 11 ATOM 15886 C CD2 . TYR A 1 44 ? -1.807 12.197 -5.063 1.00 0.00 ? 44 TYR A CD2 11 ATOM 15887 C CE1 . TYR A 1 44 ? -1.457 14.546 -6.468 1.00 0.00 ? 44 TYR A CE1 11 ATOM 15888 C CE2 . TYR A 1 44 ? -2.590 13.297 -4.770 1.00 0.00 ? 44 TYR A CE2 11 ATOM 15889 C CZ . TYR A 1 44 ? -2.411 14.469 -5.475 1.00 0.00 ? 44 TYR A CZ 11 ATOM 15890 O OH . TYR A 1 44 ? -3.188 15.567 -5.185 1.00 0.00 ? 44 TYR A OH 11 ATOM 15891 H H . TYR A 1 44 ? 1.838 9.280 -6.408 1.00 0.00 ? 44 TYR A H 11 ATOM 15892 H HA . TYR A 1 44 ? 1.657 11.884 -7.459 1.00 0.00 ? 44 TYR A HA 11 ATOM 15893 H HB2 . TYR A 1 44 ? -0.347 10.614 -7.300 1.00 0.00 ? 44 TYR A HB2 11 ATOM 15894 H HB3 . TYR A 1 44 ? -0.114 10.325 -5.579 1.00 0.00 ? 44 TYR A HB3 11 ATOM 15895 H HD1 . TYR A 1 44 ? 0.069 13.498 -7.533 1.00 0.00 ? 44 TYR A HD1 11 ATOM 15896 H HD2 . TYR A 1 44 ? -1.944 11.278 -4.512 1.00 0.00 ? 44 TYR A HD2 11 ATOM 15897 H HE1 . TYR A 1 44 ? -1.317 15.463 -7.020 1.00 0.00 ? 44 TYR A HE1 11 ATOM 15898 H HE2 . TYR A 1 44 ? -3.337 13.237 -3.992 1.00 0.00 ? 44 TYR A HE2 11 ATOM 15899 H HH . TYR A 1 44 ? -3.667 15.836 -5.973 1.00 0.00 ? 44 TYR A HH 11 ATOM 15900 N N . LEU A 1 45 ? 2.088 11.686 -4.194 1.00 0.00 ? 45 LEU A N 11 ATOM 15901 C CA . LEU A 1 45 ? 2.513 12.436 -3.017 1.00 0.00 ? 45 LEU A CA 11 ATOM 15902 C C . LEU A 1 45 ? 3.871 13.092 -3.250 1.00 0.00 ? 45 LEU A C 11 ATOM 15903 O O . LEU A 1 45 ? 4.083 14.249 -2.889 1.00 0.00 ? 45 LEU A O 11 ATOM 15904 C CB . LEU A 1 45 ? 2.583 11.515 -1.798 1.00 0.00 ? 45 LEU A CB 11 ATOM 15905 C CG . LEU A 1 45 ? 1.251 11.211 -1.110 1.00 0.00 ? 45 LEU A CG 11 ATOM 15906 C CD1 . LEU A 1 45 ? 1.406 10.055 -0.134 1.00 0.00 ? 45 LEU A CD1 11 ATOM 15907 C CD2 . LEU A 1 45 ? 0.727 12.448 -0.395 1.00 0.00 ? 45 LEU A CD2 11 ATOM 15908 H H . LEU A 1 45 ? 1.898 10.729 -4.106 1.00 0.00 ? 45 LEU A H 11 ATOM 15909 H HA . LEU A 1 45 ? 1.781 13.208 -2.834 1.00 0.00 ? 45 LEU A HA 11 ATOM 15910 H HB2 . LEU A 1 45 ? 3.011 10.577 -2.116 1.00 0.00 ? 45 LEU A HB2 11 ATOM 15911 H HB3 . LEU A 1 45 ? 3.234 11.978 -1.071 1.00 0.00 ? 45 LEU A HB3 11 ATOM 15912 H HG . LEU A 1 45 ? 0.525 10.922 -1.857 1.00 0.00 ? 45 LEU A HG 11 ATOM 15913 H HD11 . LEU A 1 45 ? 0.581 9.369 -0.255 1.00 0.00 ? 45 LEU A HD11 11 ATOM 15914 H HD12 . LEU A 1 45 ? 1.413 10.435 0.877 1.00 0.00 ? 45 LEU A HD12 11 ATOM 15915 H HD13 . LEU A 1 45 ? 2.335 9.540 -0.331 1.00 0.00 ? 45 LEU A HD13 11 ATOM 15916 H HD21 . LEU A 1 45 ? -0.348 12.491 -0.492 1.00 0.00 ? 45 LEU A HD21 11 ATOM 15917 H HD22 . LEU A 1 45 ? 1.163 13.332 -0.837 1.00 0.00 ? 45 LEU A HD22 11 ATOM 15918 H HD23 . LEU A 1 45 ? 0.992 12.399 0.651 1.00 0.00 ? 45 LEU A HD23 11 ATOM 15919 N N . SER A 1 46 ? 4.786 12.345 -3.859 1.00 0.00 ? 46 SER A N 11 ATOM 15920 C CA . SER A 1 46 ? 6.124 12.853 -4.140 1.00 0.00 ? 46 SER A CA 11 ATOM 15921 C C . SER A 1 46 ? 6.075 13.966 -5.182 1.00 0.00 ? 46 SER A C 11 ATOM 15922 O O . SER A 1 46 ? 7.042 14.704 -5.363 1.00 0.00 ? 46 SER A O 11 ATOM 15923 C CB . SER A 1 46 ? 7.030 11.722 -4.628 1.00 0.00 ? 46 SER A CB 11 ATOM 15924 O OG . SER A 1 46 ? 6.725 11.365 -5.966 1.00 0.00 ? 46 SER A OG 11 ATOM 15925 H H . SER A 1 46 ? 4.557 11.429 -4.123 1.00 0.00 ? 46 SER A H 11 ATOM 15926 H HA . SER A 1 46 ? 6.526 13.254 -3.221 1.00 0.00 ? 46 SER A HA 11 ATOM 15927 H HB2 . SER A 1 46 ? 8.060 12.042 -4.580 1.00 0.00 ? 46 SER A HB2 11 ATOM 15928 H HB3 . SER A 1 46 ? 6.892 10.856 -3.997 1.00 0.00 ? 46 SER A HB3 11 ATOM 15929 H HG . SER A 1 46 ? 6.747 10.410 -6.056 1.00 0.00 ? 46 SER A HG 11 ATOM 15930 N N . GLU A 1 47 ? 4.939 14.080 -5.864 1.00 0.00 ? 47 GLU A N 11 ATOM 15931 C CA . GLU A 1 47 ? 4.764 15.102 -6.889 1.00 0.00 ? 47 GLU A CA 11 ATOM 15932 C C . GLU A 1 47 ? 4.102 16.348 -6.307 1.00 0.00 ? 47 GLU A C 11 ATOM 15933 O O . GLU A 1 47 ? 4.310 17.459 -6.794 1.00 0.00 ? 47 GLU A O 11 ATOM 15934 C CB . GLU A 1 47 ? 3.923 14.557 -8.046 1.00 0.00 ? 47 GLU A CB 11 ATOM 15935 C CG . GLU A 1 47 ? 4.706 13.681 -9.009 1.00 0.00 ? 47 GLU A CG 11 ATOM 15936 C CD . GLU A 1 47 ? 4.125 13.689 -10.409 1.00 0.00 ? 47 GLU A CD 11 ATOM 15937 O OE1 . GLU A 1 47 ? 4.026 14.781 -11.005 1.00 0.00 ? 47 GLU A OE1 11 ATOM 15938 O OE2 . GLU A 1 47 ? 3.769 12.601 -10.909 1.00 0.00 ? 47 GLU A OE2 11 ATOM 15939 H H . GLU A 1 47 ? 4.203 13.461 -5.675 1.00 0.00 ? 47 GLU A H 11 ATOM 15940 H HA . GLU A 1 47 ? 5.741 15.369 -7.262 1.00 0.00 ? 47 GLU A HA 11 ATOM 15941 H HB2 . GLU A 1 47 ? 3.110 13.973 -7.640 1.00 0.00 ? 47 GLU A HB2 11 ATOM 15942 H HB3 . GLU A 1 47 ? 3.514 15.389 -8.600 1.00 0.00 ? 47 GLU A HB3 11 ATOM 15943 H HG2 . GLU A 1 47 ? 5.723 14.041 -9.056 1.00 0.00 ? 47 GLU A HG2 11 ATOM 15944 H HG3 . GLU A 1 47 ? 4.701 12.667 -8.638 1.00 0.00 ? 47 GLU A HG3 11 ATOM 15945 N N . ALA A 1 48 ? 3.303 16.153 -5.263 1.00 0.00 ? 48 ALA A N 11 ATOM 15946 C CA . ALA A 1 48 ? 2.612 17.260 -4.613 1.00 0.00 ? 48 ALA A CA 11 ATOM 15947 C C . ALA A 1 48 ? 3.600 18.315 -4.127 1.00 0.00 ? 48 ALA A C 11 ATOM 15948 O O . ALA A 1 48 ? 3.427 19.506 -4.384 1.00 0.00 ? 48 ALA A O 11 ATOM 15949 C CB . ALA A 1 48 ? 1.770 16.749 -3.454 1.00 0.00 ? 48 ALA A CB 11 ATOM 15950 H H . ALA A 1 48 ? 3.178 15.244 -4.920 1.00 0.00 ? 48 ALA A H 11 ATOM 15951 H HA . ALA A 1 48 ? 1.948 17.710 -5.337 1.00 0.00 ? 48 ALA A HA 11 ATOM 15952 H HB1 . ALA A 1 48 ? 2.231 15.864 -3.038 1.00 0.00 ? 48 ALA A HB1 11 ATOM 15953 H HB2 . ALA A 1 48 ? 1.704 17.512 -2.693 1.00 0.00 ? 48 ALA A HB2 11 ATOM 15954 H HB3 . ALA A 1 48 ? 0.780 16.505 -3.808 1.00 0.00 ? 48 ALA A HB3 11 ATOM 15955 N N . MET A 1 49 ? 4.636 17.869 -3.423 1.00 0.00 ? 49 MET A N 11 ATOM 15956 C CA . MET A 1 49 ? 5.652 18.776 -2.902 1.00 0.00 ? 49 MET A CA 11 ATOM 15957 C C . MET A 1 49 ? 6.288 19.585 -4.028 1.00 0.00 ? 49 MET A C 11 ATOM 15958 O O . MET A 1 49 ? 6.298 20.816 -3.993 1.00 0.00 ? 49 MET A O 11 ATOM 15959 C CB . MET A 1 49 ? 6.729 17.992 -2.150 1.00 0.00 ? 49 MET A CB 11 ATOM 15960 C CG . MET A 1 49 ? 7.317 16.844 -2.954 1.00 0.00 ? 49 MET A CG 11 ATOM 15961 S SD . MET A 1 49 ? 8.204 15.658 -1.925 1.00 0.00 ? 49 MET A SD 11 ATOM 15962 C CE . MET A 1 49 ? 7.009 15.382 -0.619 1.00 0.00 ? 49 MET A CE 11 ATOM 15963 H H . MET A 1 49 ? 4.720 16.908 -3.251 1.00 0.00 ? 49 MET A H 11 ATOM 15964 H HA . MET A 1 49 ? 5.168 19.455 -2.215 1.00 0.00 ? 49 MET A HA 11 ATOM 15965 H HB2 . MET A 1 49 ? 7.530 18.666 -1.886 1.00 0.00 ? 49 MET A HB2 11 ATOM 15966 H HB3 . MET A 1 49 ? 6.298 17.586 -1.247 1.00 0.00 ? 49 MET A HB3 11 ATOM 15967 H HG2 . MET A 1 49 ? 6.515 16.328 -3.461 1.00 0.00 ? 49 MET A HG2 11 ATOM 15968 H HG3 . MET A 1 49 ? 8.001 17.249 -3.685 1.00 0.00 ? 49 MET A HG3 11 ATOM 15969 H HE1 . MET A 1 49 ? 6.011 15.505 -1.013 1.00 0.00 ? 49 MET A HE1 11 ATOM 15970 H HE2 . MET A 1 49 ? 7.124 14.380 -0.233 1.00 0.00 ? 49 MET A HE2 11 ATOM 15971 H HE3 . MET A 1 49 ? 7.173 16.096 0.175 1.00 0.00 ? 49 MET A HE3 11 ATOM 15972 N N . LYS A 1 50 ? 6.819 18.886 -5.025 1.00 0.00 ? 50 LYS A N 11 ATOM 15973 C CA . LYS A 1 50 ? 7.457 19.539 -6.163 1.00 0.00 ? 50 LYS A CA 11 ATOM 15974 C C . LYS A 1 50 ? 6.517 20.554 -6.805 1.00 0.00 ? 50 LYS A C 11 ATOM 15975 O O . LYS A 1 50 ? 6.944 21.398 -7.594 1.00 0.00 ? 50 LYS A O 11 ATOM 15976 C CB . LYS A 1 50 ? 7.885 18.498 -7.200 1.00 0.00 ? 50 LYS A CB 11 ATOM 15977 C CG . LYS A 1 50 ? 8.631 17.316 -6.603 1.00 0.00 ? 50 LYS A CG 11 ATOM 15978 C CD . LYS A 1 50 ? 9.254 16.448 -7.683 1.00 0.00 ? 50 LYS A CD 11 ATOM 15979 C CE . LYS A 1 50 ? 8.213 15.572 -8.363 1.00 0.00 ? 50 LYS A CE 11 ATOM 15980 N NZ . LYS A 1 50 ? 8.083 14.246 -7.697 1.00 0.00 ? 50 LYS A NZ 11 ATOM 15981 H H . LYS A 1 50 ? 6.780 17.907 -4.996 1.00 0.00 ? 50 LYS A H 11 ATOM 15982 H HA . LYS A 1 50 ? 8.333 20.055 -5.801 1.00 0.00 ? 50 LYS A HA 11 ATOM 15983 H HB2 . LYS A 1 50 ? 7.005 18.125 -7.702 1.00 0.00 ? 50 LYS A HB2 11 ATOM 15984 H HB3 . LYS A 1 50 ? 8.529 18.974 -7.925 1.00 0.00 ? 50 LYS A HB3 11 ATOM 15985 H HG2 . LYS A 1 50 ? 9.413 17.685 -5.957 1.00 0.00 ? 50 LYS A HG2 11 ATOM 15986 H HG3 . LYS A 1 50 ? 7.938 16.718 -6.028 1.00 0.00 ? 50 LYS A HG3 11 ATOM 15987 H HD2 . LYS A 1 50 ? 9.712 17.084 -8.426 1.00 0.00 ? 50 LYS A HD2 11 ATOM 15988 H HD3 . LYS A 1 50 ? 10.007 15.815 -7.234 1.00 0.00 ? 50 LYS A HD3 11 ATOM 15989 H HE2 . LYS A 1 50 ? 7.259 16.076 -8.330 1.00 0.00 ? 50 LYS A HE2 11 ATOM 15990 H HE3 . LYS A 1 50 ? 8.505 15.421 -9.392 1.00 0.00 ? 50 LYS A HE3 11 ATOM 15991 H HZ1 . LYS A 1 50 ? 7.991 13.495 -8.411 1.00 0.00 ? 50 LYS A HZ1 11 ATOM 15992 H HZ2 . LYS A 1 50 ? 7.241 14.234 -7.087 1.00 0.00 ? 50 LYS A HZ2 11 ATOM 15993 H HZ3 . LYS A 1 50 ? 8.923 14.055 -7.114 1.00 0.00 ? 50 LYS A HZ3 11 ATOM 15994 N N . LEU A 1 51 ? 5.237 20.469 -6.460 1.00 0.00 ? 51 LEU A N 11 ATOM 15995 C CA . LEU A 1 51 ? 4.236 21.382 -7.002 1.00 0.00 ? 51 LEU A CA 11 ATOM 15996 C C . LEU A 1 51 ? 3.983 22.542 -6.045 1.00 0.00 ? 51 LEU A C 11 ATOM 15997 O O . LEU A 1 51 ? 4.231 23.702 -6.378 1.00 0.00 ? 51 LEU A O 11 ATOM 15998 C CB . LEU A 1 51 ? 2.929 20.635 -7.273 1.00 0.00 ? 51 LEU A CB 11 ATOM 15999 C CG . LEU A 1 51 ? 1.730 21.501 -7.660 1.00 0.00 ? 51 LEU A CG 11 ATOM 16000 C CD1 . LEU A 1 51 ? 1.939 22.121 -9.033 1.00 0.00 ? 51 LEU A CD1 11 ATOM 16001 C CD2 . LEU A 1 51 ? 0.449 20.680 -7.634 1.00 0.00 ? 51 LEU A CD2 11 ATOM 16002 H H . LEU A 1 51 ? 4.957 19.776 -5.827 1.00 0.00 ? 51 LEU A H 11 ATOM 16003 H HA . LEU A 1 51 ? 4.617 21.776 -7.933 1.00 0.00 ? 51 LEU A HA 11 ATOM 16004 H HB2 . LEU A 1 51 ? 3.107 19.939 -8.078 1.00 0.00 ? 51 LEU A HB2 11 ATOM 16005 H HB3 . LEU A 1 51 ? 2.669 20.089 -6.378 1.00 0.00 ? 51 LEU A HB3 11 ATOM 16006 H HG . LEU A 1 51 ? 1.627 22.304 -6.944 1.00 0.00 ? 51 LEU A HG 11 ATOM 16007 H HD11 . LEU A 1 51 ? 2.689 22.895 -8.968 1.00 0.00 ? 51 LEU A HD11 11 ATOM 16008 H HD12 . LEU A 1 51 ? 1.010 22.548 -9.381 1.00 0.00 ? 51 LEU A HD12 11 ATOM 16009 H HD13 . LEU A 1 51 ? 2.266 21.359 -9.726 1.00 0.00 ? 51 LEU A HD13 11 ATOM 16010 H HD21 . LEU A 1 51 ? -0.242 21.113 -6.926 1.00 0.00 ? 51 LEU A HD21 11 ATOM 16011 H HD22 . LEU A 1 51 ? 0.677 19.666 -7.339 1.00 0.00 ? 51 LEU A HD22 11 ATOM 16012 H HD23 . LEU A 1 51 ? 0.003 20.677 -8.617 1.00 0.00 ? 51 LEU A HD23 11 ATOM 16013 N N . THR A 1 52 ? 3.490 22.223 -4.853 1.00 0.00 ? 52 THR A N 11 ATOM 16014 C CA . THR A 1 52 ? 3.204 23.237 -3.846 1.00 0.00 ? 52 THR A CA 11 ATOM 16015 C C . THR A 1 52 ? 4.356 24.228 -3.722 1.00 0.00 ? 52 THR A C 11 ATOM 16016 O O . THR A 1 52 ? 5.524 23.842 -3.750 1.00 0.00 ? 52 THR A O 11 ATOM 16017 C CB . THR A 1 52 ? 2.937 22.603 -2.468 1.00 0.00 ? 52 THR A CB 11 ATOM 16018 O OG1 . THR A 1 52 ? 2.139 23.484 -1.670 1.00 0.00 ? 52 THR A OG1 11 ATOM 16019 C CG2 . THR A 1 52 ? 4.243 22.301 -1.749 1.00 0.00 ? 52 THR A CG2 11 ATOM 16020 H H . THR A 1 52 ? 3.314 21.281 -4.646 1.00 0.00 ? 52 THR A H 11 ATOM 16021 H HA . THR A 1 52 ? 2.316 23.770 -4.153 1.00 0.00 ? 52 THR A HA 11 ATOM 16022 H HB . THR A 1 52 ? 2.401 21.676 -2.614 1.00 0.00 ? 52 THR A HB 11 ATOM 16023 H HG1 . THR A 1 52 ? 1.584 24.020 -2.241 1.00 0.00 ? 52 THR A HG1 11 ATOM 16024 H HG21 . THR A 1 52 ? 4.533 23.155 -1.155 1.00 0.00 ? 52 THR A HG21 11 ATOM 16025 H HG22 . THR A 1 52 ? 5.014 22.090 -2.476 1.00 0.00 ? 52 THR A HG22 11 ATOM 16026 H HG23 . THR A 1 52 ? 4.110 21.444 -1.106 1.00 0.00 ? 52 THR A HG23 11 ATOM 16027 N N . GLU A 1 53 ? 4.019 25.506 -3.583 1.00 0.00 ? 53 GLU A N 11 ATOM 16028 C CA . GLU A 1 53 ? 5.027 26.552 -3.455 1.00 0.00 ? 53 GLU A CA 11 ATOM 16029 C C . GLU A 1 53 ? 5.209 26.956 -1.995 1.00 0.00 ? 53 GLU A C 11 ATOM 16030 O O . GLU A 1 53 ? 5.758 28.017 -1.697 1.00 0.00 ? 53 GLU A O 11 ATOM 16031 C CB . GLU A 1 53 ? 4.636 27.774 -4.289 1.00 0.00 ? 53 GLU A CB 11 ATOM 16032 C CG . GLU A 1 53 ? 5.819 28.638 -4.694 1.00 0.00 ? 53 GLU A CG 11 ATOM 16033 C CD . GLU A 1 53 ? 5.454 29.672 -5.741 1.00 0.00 ? 53 GLU A CD 11 ATOM 16034 O OE1 . GLU A 1 53 ? 5.044 29.275 -6.851 1.00 0.00 ? 53 GLU A OE1 11 ATOM 16035 O OE2 . GLU A 1 53 ? 5.578 30.880 -5.449 1.00 0.00 ? 53 GLU A OE2 11 ATOM 16036 H H . GLU A 1 53 ? 3.071 25.752 -3.568 1.00 0.00 ? 53 GLU A H 11 ATOM 16037 H HA . GLU A 1 53 ? 5.962 26.159 -3.825 1.00 0.00 ? 53 GLU A HA 11 ATOM 16038 H HB2 . GLU A 1 53 ? 4.138 27.437 -5.186 1.00 0.00 ? 53 GLU A HB2 11 ATOM 16039 H HB3 . GLU A 1 53 ? 3.953 28.382 -3.715 1.00 0.00 ? 53 GLU A HB3 11 ATOM 16040 H HG2 . GLU A 1 53 ? 6.191 29.149 -3.819 1.00 0.00 ? 53 GLU A HG2 11 ATOM 16041 H HG3 . GLU A 1 53 ? 6.594 28.000 -5.094 1.00 0.00 ? 53 GLU A HG3 11 ATOM 16042 N N . SER A 1 54 ? 4.742 26.104 -1.088 1.00 0.00 ? 54 SER A N 11 ATOM 16043 C CA . SER A 1 54 ? 4.848 26.373 0.341 1.00 0.00 ? 54 SER A CA 11 ATOM 16044 C C . SER A 1 54 ? 5.834 25.416 1.003 1.00 0.00 ? 54 SER A C 11 ATOM 16045 O O . SER A 1 54 ? 6.161 24.366 0.450 1.00 0.00 ? 54 SER A O 11 ATOM 16046 C CB . SER A 1 54 ? 3.476 26.251 1.008 1.00 0.00 ? 54 SER A CB 11 ATOM 16047 O OG . SER A 1 54 ? 3.403 27.054 2.173 1.00 0.00 ? 54 SER A OG 11 ATOM 16048 H H . SER A 1 54 ? 4.314 25.274 -1.388 1.00 0.00 ? 54 SER A H 11 ATOM 16049 H HA . SER A 1 54 ? 5.209 27.384 0.462 1.00 0.00 ? 54 SER A HA 11 ATOM 16050 H HB2 . SER A 1 54 ? 2.713 26.572 0.316 1.00 0.00 ? 54 SER A HB2 11 ATOM 16051 H HB3 . SER A 1 54 ? 3.303 25.221 1.282 1.00 0.00 ? 54 SER A HB3 11 ATOM 16052 H HG . SER A 1 54 ? 2.998 26.551 2.884 1.00 0.00 ? 54 SER A HG 11 ATOM 16053 N N . GLU A 1 55 ? 6.304 25.787 2.189 1.00 0.00 ? 55 GLU A N 11 ATOM 16054 C CA . GLU A 1 55 ? 7.254 24.962 2.926 1.00 0.00 ? 55 GLU A CA 11 ATOM 16055 C C . GLU A 1 55 ? 6.528 23.907 3.758 1.00 0.00 ? 55 GLU A C 11 ATOM 16056 O O . GLU A 1 55 ? 6.728 22.708 3.568 1.00 0.00 ? 55 GLU A O 11 ATOM 16057 C CB . GLU A 1 55 ? 8.123 25.833 3.835 1.00 0.00 ? 55 GLU A CB 11 ATOM 16058 C CG . GLU A 1 55 ? 9.015 25.036 4.772 1.00 0.00 ? 55 GLU A CG 11 ATOM 16059 C CD . GLU A 1 55 ? 9.898 25.920 5.631 1.00 0.00 ? 55 GLU A CD 11 ATOM 16060 O OE1 . GLU A 1 55 ? 10.457 26.901 5.095 1.00 0.00 ? 55 GLU A OE1 11 ATOM 16061 O OE2 . GLU A 1 55 ? 10.029 25.632 6.839 1.00 0.00 ? 55 GLU A OE2 11 ATOM 16062 H H . GLU A 1 55 ? 6.006 26.636 2.578 1.00 0.00 ? 55 GLU A H 11 ATOM 16063 H HA . GLU A 1 55 ? 7.887 24.463 2.208 1.00 0.00 ? 55 GLU A HA 11 ATOM 16064 H HB2 . GLU A 1 55 ? 8.752 26.460 3.219 1.00 0.00 ? 55 GLU A HB2 11 ATOM 16065 H HB3 . GLU A 1 55 ? 7.480 26.462 4.433 1.00 0.00 ? 55 GLU A HB3 11 ATOM 16066 H HG2 . GLU A 1 55 ? 8.391 24.439 5.420 1.00 0.00 ? 55 GLU A HG2 11 ATOM 16067 H HG3 . GLU A 1 55 ? 9.645 24.387 4.183 1.00 0.00 ? 55 GLU A HG3 11 ATOM 16068 N N . GLN A 1 56 ? 5.686 24.365 4.678 1.00 0.00 ? 56 GLN A N 11 ATOM 16069 C CA . GLN A 1 56 ? 4.932 23.462 5.539 1.00 0.00 ? 56 GLN A CA 11 ATOM 16070 C C . GLN A 1 56 ? 4.286 22.346 4.725 1.00 0.00 ? 56 GLN A C 11 ATOM 16071 O O . GLN A 1 56 ? 4.415 21.168 5.056 1.00 0.00 ? 56 GLN A O 11 ATOM 16072 C CB . GLN A 1 56 ? 3.859 24.234 6.309 1.00 0.00 ? 56 GLN A CB 11 ATOM 16073 C CG . GLN A 1 56 ? 4.391 24.951 7.540 1.00 0.00 ? 56 GLN A CG 11 ATOM 16074 C CD . GLN A 1 56 ? 3.287 25.399 8.477 1.00 0.00 ? 56 GLN A CD 11 ATOM 16075 O OE1 . GLN A 1 56 ? 2.320 26.034 8.056 1.00 0.00 ? 56 GLN A OE1 11 ATOM 16076 N NE2 . GLN A 1 56 ? 3.426 25.071 9.756 1.00 0.00 ? 56 GLN A NE2 11 ATOM 16077 H H . GLN A 1 56 ? 5.570 25.332 4.782 1.00 0.00 ? 56 GLN A H 11 ATOM 16078 H HA . GLN A 1 56 ? 5.622 23.022 6.244 1.00 0.00 ? 56 GLN A HA 11 ATOM 16079 H HB2 . GLN A 1 56 ? 3.420 24.969 5.652 1.00 0.00 ? 56 GLN A HB2 11 ATOM 16080 H HB3 . GLN A 1 56 ? 3.092 23.542 6.626 1.00 0.00 ? 56 GLN A HB3 11 ATOM 16081 H HG2 . GLN A 1 56 ? 5.047 24.281 8.076 1.00 0.00 ? 56 GLN A HG2 11 ATOM 16082 H HG3 . GLN A 1 56 ? 4.949 25.819 7.221 1.00 0.00 ? 56 GLN A HG3 11 ATOM 16083 H HE21 . GLN A 1 56 ? 4.224 24.566 10.020 1.00 0.00 ? 56 GLN A HE21 11 ATOM 16084 H HE22 . GLN A 1 56 ? 2.728 25.349 10.383 1.00 0.00 ? 56 GLN A HE22 11 ATOM 16085 N N . ALA A 1 57 ? 3.590 22.726 3.658 1.00 0.00 ? 57 ALA A N 11 ATOM 16086 C CA . ALA A 1 57 ? 2.925 21.758 2.795 1.00 0.00 ? 57 ALA A CA 11 ATOM 16087 C C . ALA A 1 57 ? 3.890 20.664 2.351 1.00 0.00 ? 57 ALA A C 11 ATOM 16088 O O . ALA A 1 57 ? 3.552 19.480 2.364 1.00 0.00 ? 57 ALA A O 11 ATOM 16089 C CB . ALA A 1 57 ? 2.322 22.455 1.585 1.00 0.00 ? 57 ALA A CB 11 ATOM 16090 H H . ALA A 1 57 ? 3.523 23.680 3.446 1.00 0.00 ? 57 ALA A H 11 ATOM 16091 H HA . ALA A 1 57 ? 2.120 21.307 3.358 1.00 0.00 ? 57 ALA A HA 11 ATOM 16092 H HB1 . ALA A 1 57 ? 1.438 21.923 1.267 1.00 0.00 ? 57 ALA A HB1 11 ATOM 16093 H HB2 . ALA A 1 57 ? 2.058 23.469 1.848 1.00 0.00 ? 57 ALA A HB2 11 ATOM 16094 H HB3 . ALA A 1 57 ? 3.043 22.468 0.781 1.00 0.00 ? 57 ALA A HB3 11 ATOM 16095 N N . HIS A 1 58 ? 5.094 21.067 1.958 1.00 0.00 ? 58 HIS A N 11 ATOM 16096 C CA . HIS A 1 58 ? 6.109 20.121 1.509 1.00 0.00 ? 58 HIS A CA 11 ATOM 16097 C C . HIS A 1 58 ? 6.460 19.134 2.619 1.00 0.00 ? 58 HIS A C 11 ATOM 16098 O O . HIS A 1 58 ? 6.882 18.008 2.353 1.00 0.00 ? 58 HIS A O 11 ATOM 16099 C CB . HIS A 1 58 ? 7.366 20.864 1.056 1.00 0.00 ? 58 HIS A CB 11 ATOM 16100 C CG . HIS A 1 58 ? 8.508 19.958 0.714 1.00 0.00 ? 58 HIS A CG 11 ATOM 16101 N ND1 . HIS A 1 58 ? 9.132 19.151 1.642 1.00 0.00 ? 58 HIS A ND1 11 ATOM 16102 C CD2 . HIS A 1 58 ? 9.137 19.732 -0.463 1.00 0.00 ? 58 HIS A CD2 11 ATOM 16103 C CE1 . HIS A 1 58 ? 10.097 18.469 1.050 1.00 0.00 ? 58 HIS A CE1 11 ATOM 16104 N NE2 . HIS A 1 58 ? 10.121 18.803 -0.227 1.00 0.00 ? 58 HIS A NE2 11 ATOM 16105 H H . HIS A 1 58 ? 5.305 22.024 1.970 1.00 0.00 ? 58 HIS A H 11 ATOM 16106 H HA . HIS A 1 58 ? 5.704 19.572 0.672 1.00 0.00 ? 58 HIS A HA 11 ATOM 16107 H HB2 . HIS A 1 58 ? 7.133 21.449 0.178 1.00 0.00 ? 58 HIS A HB2 11 ATOM 16108 H HB3 . HIS A 1 58 ? 7.691 21.525 1.847 1.00 0.00 ? 58 HIS A HB3 11 ATOM 16109 H HD1 . HIS A 1 58 ? 8.902 19.088 2.592 1.00 0.00 ? 58 HIS A HD1 11 ATOM 16110 H HD2 . HIS A 1 58 ? 8.909 20.197 -1.412 1.00 0.00 ? 58 HIS A HD2 11 ATOM 16111 H HE1 . HIS A 1 58 ? 10.754 17.759 1.529 1.00 0.00 ? 58 HIS A HE1 11 ATOM 16112 H HE2 . HIS A 1 58 ? 10.795 18.510 -0.875 1.00 0.00 ? 58 HIS A HE2 11 ATOM 16113 N N . LEU A 1 59 ? 6.284 19.564 3.864 1.00 0.00 ? 59 LEU A N 11 ATOM 16114 C CA . LEU A 1 59 ? 6.583 18.720 5.015 1.00 0.00 ? 59 LEU A CA 11 ATOM 16115 C C . LEU A 1 59 ? 5.516 17.644 5.193 1.00 0.00 ? 59 LEU A C 11 ATOM 16116 O O . LEU A 1 59 ? 5.827 16.458 5.295 1.00 0.00 ? 59 LEU A O 11 ATOM 16117 C CB . LEU A 1 59 ? 6.684 19.569 6.283 1.00 0.00 ? 59 LEU A CB 11 ATOM 16118 C CG . LEU A 1 59 ? 7.474 20.872 6.157 1.00 0.00 ? 59 LEU A CG 11 ATOM 16119 C CD1 . LEU A 1 59 ? 7.713 21.485 7.528 1.00 0.00 ? 59 LEU A CD1 11 ATOM 16120 C CD2 . LEU A 1 59 ? 8.795 20.627 5.443 1.00 0.00 ? 59 LEU A CD2 11 ATOM 16121 H H . LEU A 1 59 ? 5.945 20.471 4.013 1.00 0.00 ? 59 LEU A H 11 ATOM 16122 H HA . LEU A 1 59 ? 7.534 18.240 4.836 1.00 0.00 ? 59 LEU A HA 11 ATOM 16123 H HB2 . LEU A 1 59 ? 5.681 19.819 6.594 1.00 0.00 ? 59 LEU A HB2 11 ATOM 16124 H HB3 . LEU A 1 59 ? 7.156 18.966 7.046 1.00 0.00 ? 59 LEU A HB3 11 ATOM 16125 H HG . LEU A 1 59 ? 6.902 21.577 5.571 1.00 0.00 ? 59 LEU A HG 11 ATOM 16126 H HD11 . LEU A 1 59 ? 8.751 21.369 7.799 1.00 0.00 ? 59 LEU A HD11 11 ATOM 16127 H HD12 . LEU A 1 59 ? 7.092 20.988 8.258 1.00 0.00 ? 59 LEU A HD12 11 ATOM 16128 H HD13 . LEU A 1 59 ? 7.463 22.536 7.500 1.00 0.00 ? 59 LEU A HD13 11 ATOM 16129 H HD21 . LEU A 1 59 ? 9.291 21.571 5.271 1.00 0.00 ? 59 LEU A HD21 11 ATOM 16130 H HD22 . LEU A 1 59 ? 8.608 20.141 4.496 1.00 0.00 ? 59 LEU A HD22 11 ATOM 16131 H HD23 . LEU A 1 59 ? 9.424 19.996 6.054 1.00 0.00 ? 59 LEU A HD23 11 ATOM 16132 N N . SER A 1 60 ? 4.256 18.067 5.226 1.00 0.00 ? 60 SER A N 11 ATOM 16133 C CA . SER A 1 60 ? 3.143 17.141 5.393 1.00 0.00 ? 60 SER A CA 11 ATOM 16134 C C . SER A 1 60 ? 3.246 15.983 4.404 1.00 0.00 ? 60 SER A C 11 ATOM 16135 O O . SER A 1 60 ? 2.651 14.924 4.606 1.00 0.00 ? 60 SER A O 11 ATOM 16136 C CB . SER A 1 60 ? 1.812 17.871 5.203 1.00 0.00 ? 60 SER A CB 11 ATOM 16137 O OG . SER A 1 60 ? 0.781 17.258 5.958 1.00 0.00 ? 60 SER A OG 11 ATOM 16138 H H . SER A 1 60 ? 4.072 19.026 5.139 1.00 0.00 ? 60 SER A H 11 ATOM 16139 H HA . SER A 1 60 ? 3.187 16.747 6.397 1.00 0.00 ? 60 SER A HA 11 ATOM 16140 H HB2 . SER A 1 60 ? 1.917 18.895 5.525 1.00 0.00 ? 60 SER A HB2 11 ATOM 16141 H HB3 . SER A 1 60 ? 1.538 17.848 4.158 1.00 0.00 ? 60 SER A HB3 11 ATOM 16142 H HG . SER A 1 60 ? 0.669 16.349 5.669 1.00 0.00 ? 60 SER A HG 11 ATOM 16143 N N . LEU A 1 61 ? 4.007 16.193 3.336 1.00 0.00 ? 61 LEU A N 11 ATOM 16144 C CA . LEU A 1 61 ? 4.190 15.168 2.314 1.00 0.00 ? 61 LEU A CA 11 ATOM 16145 C C . LEU A 1 61 ? 5.408 14.302 2.623 1.00 0.00 ? 61 LEU A C 11 ATOM 16146 O O . LEU A 1 61 ? 5.319 13.075 2.647 1.00 0.00 ? 61 LEU A O 11 ATOM 16147 C CB . LEU A 1 61 ? 4.347 15.814 0.937 1.00 0.00 ? 61 LEU A CB 11 ATOM 16148 C CG . LEU A 1 61 ? 3.278 16.838 0.550 1.00 0.00 ? 61 LEU A CG 11 ATOM 16149 C CD1 . LEU A 1 61 ? 3.725 17.646 -0.658 1.00 0.00 ? 61 LEU A CD1 11 ATOM 16150 C CD2 . LEU A 1 61 ? 1.952 16.145 0.270 1.00 0.00 ? 61 LEU A CD2 11 ATOM 16151 H H . LEU A 1 61 ? 4.456 17.057 3.230 1.00 0.00 ? 61 LEU A H 11 ATOM 16152 H HA . LEU A 1 61 ? 3.310 14.542 2.311 1.00 0.00 ? 61 LEU A HA 11 ATOM 16153 H HB2 . LEU A 1 61 ? 5.304 16.311 0.911 1.00 0.00 ? 61 LEU A HB2 11 ATOM 16154 H HB3 . LEU A 1 61 ? 4.333 15.025 0.198 1.00 0.00 ? 61 LEU A HB3 11 ATOM 16155 H HG . LEU A 1 61 ? 3.131 17.523 1.374 1.00 0.00 ? 61 LEU A HG 11 ATOM 16156 H HD11 . LEU A 1 61 ? 4.600 18.224 -0.401 1.00 0.00 ? 61 LEU A HD11 11 ATOM 16157 H HD12 . LEU A 1 61 ? 2.930 18.311 -0.960 1.00 0.00 ? 61 LEU A HD12 11 ATOM 16158 H HD13 . LEU A 1 61 ? 3.962 16.976 -1.471 1.00 0.00 ? 61 LEU A HD13 11 ATOM 16159 H HD21 . LEU A 1 61 ? 2.124 15.281 -0.355 1.00 0.00 ? 61 LEU A HD21 11 ATOM 16160 H HD22 . LEU A 1 61 ? 1.288 16.830 -0.236 1.00 0.00 ? 61 LEU A HD22 11 ATOM 16161 H HD23 . LEU A 1 61 ? 1.506 15.832 1.202 1.00 0.00 ? 61 LEU A HD23 11 ATOM 16162 N N . GLU A 1 62 ? 6.543 14.951 2.862 1.00 0.00 ? 62 GLU A N 11 ATOM 16163 C CA . GLU A 1 62 ? 7.778 14.240 3.171 1.00 0.00 ? 62 GLU A CA 11 ATOM 16164 C C . GLU A 1 62 ? 7.575 13.281 4.341 1.00 0.00 ? 62 GLU A C 11 ATOM 16165 O O . GLU A 1 62 ? 8.303 12.298 4.486 1.00 0.00 ? 62 GLU A O 11 ATOM 16166 C CB . GLU A 1 62 ? 8.896 15.232 3.499 1.00 0.00 ? 62 GLU A CB 11 ATOM 16167 C CG . GLU A 1 62 ? 8.962 15.610 4.969 1.00 0.00 ? 62 GLU A CG 11 ATOM 16168 C CD . GLU A 1 62 ? 10.039 16.638 5.258 1.00 0.00 ? 62 GLU A CD 11 ATOM 16169 O OE1 . GLU A 1 62 ? 11.233 16.306 5.100 1.00 0.00 ? 62 GLU A OE1 11 ATOM 16170 O OE2 . GLU A 1 62 ? 9.689 17.773 5.644 1.00 0.00 ? 62 GLU A OE2 11 ATOM 16171 H H . GLU A 1 62 ? 6.551 15.930 2.828 1.00 0.00 ? 62 GLU A H 11 ATOM 16172 H HA . GLU A 1 62 ? 8.060 13.670 2.299 1.00 0.00 ? 62 GLU A HA 11 ATOM 16173 H HB2 . GLU A 1 62 ? 9.843 14.795 3.217 1.00 0.00 ? 62 GLU A HB2 11 ATOM 16174 H HB3 . GLU A 1 62 ? 8.741 16.133 2.923 1.00 0.00 ? 62 GLU A HB3 11 ATOM 16175 H HG2 . GLU A 1 62 ? 8.008 16.019 5.266 1.00 0.00 ? 62 GLU A HG2 11 ATOM 16176 H HG3 . GLU A 1 62 ? 9.168 14.722 5.547 1.00 0.00 ? 62 GLU A HG3 11 ATOM 16177 N N . LEU A 1 63 ? 6.582 13.574 5.173 1.00 0.00 ? 63 LEU A N 11 ATOM 16178 C CA . LEU A 1 63 ? 6.283 12.739 6.331 1.00 0.00 ? 63 LEU A CA 11 ATOM 16179 C C . LEU A 1 63 ? 5.307 11.626 5.962 1.00 0.00 ? 63 LEU A C 11 ATOM 16180 O O . LEU A 1 63 ? 5.578 10.449 6.196 1.00 0.00 ? 63 LEU A O 11 ATOM 16181 C CB . LEU A 1 63 ? 5.699 13.590 7.461 1.00 0.00 ? 63 LEU A CB 11 ATOM 16182 C CG . LEU A 1 63 ? 6.695 14.464 8.225 1.00 0.00 ? 63 LEU A CG 11 ATOM 16183 C CD1 . LEU A 1 63 ? 5.961 15.475 9.092 1.00 0.00 ? 63 LEU A CD1 11 ATOM 16184 C CD2 . LEU A 1 63 ? 7.619 13.602 9.073 1.00 0.00 ? 63 LEU A CD2 11 ATOM 16185 H H . LEU A 1 63 ? 6.037 14.371 5.005 1.00 0.00 ? 63 LEU A H 11 ATOM 16186 H HA . LEU A 1 63 ? 7.207 12.294 6.667 1.00 0.00 ? 63 LEU A HA 11 ATOM 16187 H HB2 . LEU A 1 63 ? 4.951 14.239 7.033 1.00 0.00 ? 63 LEU A HB2 11 ATOM 16188 H HB3 . LEU A 1 63 ? 5.232 12.921 8.169 1.00 0.00 ? 63 LEU A HB3 11 ATOM 16189 H HG . LEU A 1 63 ? 7.302 15.011 7.517 1.00 0.00 ? 63 LEU A HG 11 ATOM 16190 H HD11 . LEU A 1 63 ? 5.540 16.247 8.467 1.00 0.00 ? 63 LEU A HD11 11 ATOM 16191 H HD12 . LEU A 1 63 ? 6.653 15.917 9.793 1.00 0.00 ? 63 LEU A HD12 11 ATOM 16192 H HD13 . LEU A 1 63 ? 5.170 14.977 9.634 1.00 0.00 ? 63 LEU A HD13 11 ATOM 16193 H HD21 . LEU A 1 63 ? 7.940 12.746 8.498 1.00 0.00 ? 63 LEU A HD21 11 ATOM 16194 H HD22 . LEU A 1 63 ? 7.091 13.267 9.954 1.00 0.00 ? 63 LEU A HD22 11 ATOM 16195 H HD23 . LEU A 1 63 ? 8.481 14.182 9.368 1.00 0.00 ? 63 LEU A HD23 11 ATOM 16196 N N . GLN A 1 64 ? 4.173 12.008 5.382 1.00 0.00 ? 64 GLN A N 11 ATOM 16197 C CA . GLN A 1 64 ? 3.159 11.041 4.980 1.00 0.00 ? 64 GLN A CA 11 ATOM 16198 C C . GLN A 1 64 ? 3.746 9.998 4.034 1.00 0.00 ? 64 GLN A C 11 ATOM 16199 O O . GLN A 1 64 ? 3.449 8.808 4.146 1.00 0.00 ? 64 GLN A O 11 ATOM 16200 C CB . GLN A 1 64 ? 1.984 11.753 4.307 1.00 0.00 ? 64 GLN A CB 11 ATOM 16201 C CG . GLN A 1 64 ? 0.719 10.913 4.244 1.00 0.00 ? 64 GLN A CG 11 ATOM 16202 C CD . GLN A 1 64 ? -0.120 11.025 5.502 1.00 0.00 ? 64 GLN A CD 11 ATOM 16203 O OE1 . GLN A 1 64 ? 0.227 10.471 6.545 1.00 0.00 ? 64 GLN A OE1 11 ATOM 16204 N NE2 . GLN A 1 64 ? -1.232 11.746 5.409 1.00 0.00 ? 64 GLN A NE2 11 ATOM 16205 H H . GLN A 1 64 ? 4.016 12.961 5.223 1.00 0.00 ? 64 GLN A H 11 ATOM 16206 H HA . GLN A 1 64 ? 2.804 10.543 5.869 1.00 0.00 ? 64 GLN A HA 11 ATOM 16207 H HB2 . GLN A 1 64 ? 1.764 12.656 4.856 1.00 0.00 ? 64 GLN A HB2 11 ATOM 16208 H HB3 . GLN A 1 64 ? 2.267 12.015 3.298 1.00 0.00 ? 64 GLN A HB3 11 ATOM 16209 H HG2 . GLN A 1 64 ? 0.125 11.242 3.404 1.00 0.00 ? 64 GLN A HG2 11 ATOM 16210 H HG3 . GLN A 1 64 ? 0.996 9.878 4.104 1.00 0.00 ? 64 GLN A HG3 11 ATOM 16211 H HE21 . GLN A 1 64 ? -1.446 12.157 4.545 1.00 0.00 ? 64 GLN A HE21 11 ATOM 16212 H HE22 . GLN A 1 64 ? -1.793 11.835 6.207 1.00 0.00 ? 64 GLN A HE22 11 ATOM 16213 N N . ARG A 1 65 ? 4.579 10.452 3.104 1.00 0.00 ? 65 ARG A N 11 ATOM 16214 C CA . ARG A 1 65 ? 5.206 9.559 2.138 1.00 0.00 ? 65 ARG A CA 11 ATOM 16215 C C . ARG A 1 65 ? 5.952 8.431 2.845 1.00 0.00 ? 65 ARG A C 11 ATOM 16216 O O . ARG A 1 65 ? 5.832 7.264 2.470 1.00 0.00 ? 65 ARG A O 11 ATOM 16217 C CB . ARG A 1 65 ? 6.169 10.338 1.240 1.00 0.00 ? 65 ARG A CB 11 ATOM 16218 C CG . ARG A 1 65 ? 6.510 9.620 -0.055 1.00 0.00 ? 65 ARG A CG 11 ATOM 16219 C CD . ARG A 1 65 ? 6.899 10.601 -1.150 1.00 0.00 ? 65 ARG A CD 11 ATOM 16220 N NE . ARG A 1 65 ? 8.054 11.411 -0.774 1.00 0.00 ? 65 ARG A NE 11 ATOM 16221 C CZ . ARG A 1 65 ? 9.310 10.992 -0.876 1.00 0.00 ? 65 ARG A CZ 11 ATOM 16222 N NH1 . ARG A 1 65 ? 9.572 9.777 -1.339 1.00 0.00 ? 65 ARG A NH1 11 ATOM 16223 N NH2 . ARG A 1 65 ? 10.308 11.788 -0.514 1.00 0.00 ? 65 ARG A NH2 11 ATOM 16224 H H . ARG A 1 65 ? 4.776 11.412 3.065 1.00 0.00 ? 65 ARG A H 11 ATOM 16225 H HA . ARG A 1 65 ? 4.425 9.130 1.526 1.00 0.00 ? 65 ARG A HA 11 ATOM 16226 H HB2 . ARG A 1 65 ? 5.722 11.289 0.992 1.00 0.00 ? 65 ARG A HB2 11 ATOM 16227 H HB3 . ARG A 1 65 ? 7.086 10.511 1.783 1.00 0.00 ? 65 ARG A HB3 11 ATOM 16228 H HG2 . ARG A 1 65 ? 7.339 8.950 0.123 1.00 0.00 ? 65 ARG A HG2 11 ATOM 16229 H HG3 . ARG A 1 65 ? 5.650 9.054 -0.379 1.00 0.00 ? 65 ARG A HG3 11 ATOM 16230 H HD2 . ARG A 1 65 ? 7.136 10.046 -2.045 1.00 0.00 ? 65 ARG A HD2 11 ATOM 16231 H HD3 . ARG A 1 65 ? 6.060 11.253 -1.344 1.00 0.00 ? 65 ARG A HD3 11 ATOM 16232 H HE . ARG A 1 65 ? 7.884 12.312 -0.430 1.00 0.00 ? 65 ARG A HE 11 ATOM 16233 H HH11 . ARG A 1 65 ? 8.822 9.176 -1.614 1.00 0.00 ? 65 ARG A HH11 11 ATOM 16234 H HH12 . ARG A 1 65 ? 10.519 9.464 -1.416 1.00 0.00 ? 65 ARG A HH12 11 ATOM 16235 H HH21 . ARG A 1 65 ? 10.115 12.704 -0.164 1.00 0.00 ? 65 ARG A HH21 11 ATOM 16236 H HH22 . ARG A 1 65 ? 11.253 11.471 -0.590 1.00 0.00 ? 65 ARG A HH22 11 ATOM 16237 N N . ASP A 1 66 ? 6.720 8.787 3.867 1.00 0.00 ? 66 ASP A N 11 ATOM 16238 C CA . ASP A 1 66 ? 7.485 7.805 4.628 1.00 0.00 ? 66 ASP A CA 11 ATOM 16239 C C . ASP A 1 66 ? 6.710 6.499 4.764 1.00 0.00 ? 66 ASP A C 11 ATOM 16240 O O . ASP A 1 66 ? 7.138 5.457 4.268 1.00 0.00 ? 66 ASP A O 11 ATOM 16241 C CB . ASP A 1 66 ? 7.828 8.356 6.013 1.00 0.00 ? 66 ASP A CB 11 ATOM 16242 C CG . ASP A 1 66 ? 8.574 7.350 6.867 1.00 0.00 ? 66 ASP A CG 11 ATOM 16243 O OD1 . ASP A 1 66 ? 9.463 6.657 6.328 1.00 0.00 ? 66 ASP A OD1 11 ATOM 16244 O OD2 . ASP A 1 66 ? 8.270 7.255 8.075 1.00 0.00 ? 66 ASP A OD2 11 ATOM 16245 H H . ASP A 1 66 ? 6.774 9.733 4.118 1.00 0.00 ? 66 ASP A H 11 ATOM 16246 H HA . ASP A 1 66 ? 8.402 7.611 4.091 1.00 0.00 ? 66 ASP A HA 11 ATOM 16247 H HB2 . ASP A 1 66 ? 8.447 9.234 5.901 1.00 0.00 ? 66 ASP A HB2 11 ATOM 16248 H HB3 . ASP A 1 66 ? 6.915 8.627 6.522 1.00 0.00 ? 66 ASP A HB3 11 ATOM 16249 N N . SER A 1 67 ? 5.567 6.563 5.439 1.00 0.00 ? 67 SER A N 11 ATOM 16250 C CA . SER A 1 67 ? 4.734 5.384 5.645 1.00 0.00 ? 67 SER A CA 11 ATOM 16251 C C . SER A 1 67 ? 4.379 4.730 4.313 1.00 0.00 ? 67 SER A C 11 ATOM 16252 O O . SER A 1 67 ? 4.678 3.558 4.084 1.00 0.00 ? 67 SER A O 11 ATOM 16253 C CB . SER A 1 67 ? 3.456 5.761 6.397 1.00 0.00 ? 67 SER A CB 11 ATOM 16254 O OG . SER A 1 67 ? 2.690 6.700 5.662 1.00 0.00 ? 67 SER A OG 11 ATOM 16255 H H . SER A 1 67 ? 5.279 7.423 5.810 1.00 0.00 ? 67 SER A H 11 ATOM 16256 H HA . SER A 1 67 ? 5.297 4.680 6.239 1.00 0.00 ? 67 SER A HA 11 ATOM 16257 H HB2 . SER A 1 67 ? 2.860 4.875 6.556 1.00 0.00 ? 67 SER A HB2 11 ATOM 16258 H HB3 . SER A 1 67 ? 3.718 6.195 7.351 1.00 0.00 ? 67 SER A HB3 11 ATOM 16259 H HG . SER A 1 67 ? 2.840 7.581 6.014 1.00 0.00 ? 67 SER A HG 11 ATOM 16260 N N . HIS A 1 68 ? 3.738 5.498 3.436 1.00 0.00 ? 68 HIS A N 11 ATOM 16261 C CA . HIS A 1 68 ? 3.342 4.995 2.126 1.00 0.00 ? 68 HIS A CA 11 ATOM 16262 C C . HIS A 1 68 ? 4.417 4.079 1.548 1.00 0.00 ? 68 HIS A C 11 ATOM 16263 O O . HIS A 1 68 ? 4.124 3.187 0.752 1.00 0.00 ? 68 HIS A O 11 ATOM 16264 C CB . HIS A 1 68 ? 3.077 6.157 1.169 1.00 0.00 ? 68 HIS A CB 11 ATOM 16265 C CG . HIS A 1 68 ? 1.700 6.733 1.293 1.00 0.00 ? 68 HIS A CG 11 ATOM 16266 N ND1 . HIS A 1 68 ? 0.557 6.020 0.998 1.00 0.00 ? 68 HIS A ND1 11 ATOM 16267 C CD2 . HIS A 1 68 ? 1.285 7.960 1.684 1.00 0.00 ? 68 HIS A CD2 11 ATOM 16268 C CE1 . HIS A 1 68 ? -0.501 6.785 1.201 1.00 0.00 ? 68 HIS A CE1 11 ATOM 16269 N NE2 . HIS A 1 68 ? -0.086 7.967 1.618 1.00 0.00 ? 68 HIS A NE2 11 ATOM 16270 H H . HIS A 1 68 ? 3.528 6.424 3.677 1.00 0.00 ? 68 HIS A H 11 ATOM 16271 H HA . HIS A 1 68 ? 2.433 4.427 2.249 1.00 0.00 ? 68 HIS A HA 11 ATOM 16272 H HB2 . HIS A 1 68 ? 3.785 6.948 1.368 1.00 0.00 ? 68 HIS A HB2 11 ATOM 16273 H HB3 . HIS A 1 68 ? 3.204 5.814 0.152 1.00 0.00 ? 68 HIS A HB3 11 ATOM 16274 H HD1 . HIS A 1 68 ? 0.526 5.092 0.685 1.00 0.00 ? 68 HIS A HD1 11 ATOM 16275 H HD2 . HIS A 1 68 ? 1.916 8.783 1.991 1.00 0.00 ? 68 HIS A HD2 11 ATOM 16276 H HE1 . HIS A 1 68 ? -1.530 6.494 1.052 1.00 0.00 ? 68 HIS A HE1 11 ATOM 16277 H HE2 . HIS A 1 68 ? -0.660 8.749 1.761 1.00 0.00 ? 68 HIS A HE2 11 ATOM 16278 N N . MET A 1 69 ? 5.663 4.308 1.952 1.00 0.00 ? 69 MET A N 11 ATOM 16279 C CA . MET A 1 69 ? 6.781 3.504 1.474 1.00 0.00 ? 69 MET A CA 11 ATOM 16280 C C . MET A 1 69 ? 7.122 2.401 2.471 1.00 0.00 ? 69 MET A C 11 ATOM 16281 O O . MET A 1 69 ? 7.465 1.283 2.083 1.00 0.00 ? 69 MET A O 11 ATOM 16282 C CB . MET A 1 69 ? 8.007 4.387 1.233 1.00 0.00 ? 69 MET A CB 11 ATOM 16283 C CG . MET A 1 69 ? 7.896 5.254 -0.010 1.00 0.00 ? 69 MET A CG 11 ATOM 16284 S SD . MET A 1 69 ? 8.603 4.468 -1.471 1.00 0.00 ? 69 MET A SD 11 ATOM 16285 C CE . MET A 1 69 ? 8.041 2.781 -1.252 1.00 0.00 ? 69 MET A CE 11 ATOM 16286 H H . MET A 1 69 ? 5.834 5.034 2.587 1.00 0.00 ? 69 MET A H 11 ATOM 16287 H HA . MET A 1 69 ? 6.487 3.050 0.539 1.00 0.00 ? 69 MET A HA 11 ATOM 16288 H HB2 . MET A 1 69 ? 8.142 5.035 2.087 1.00 0.00 ? 69 MET A HB2 11 ATOM 16289 H HB3 . MET A 1 69 ? 8.876 3.756 1.129 1.00 0.00 ? 69 MET A HB3 11 ATOM 16290 H HG2 . MET A 1 69 ? 6.853 5.459 -0.199 1.00 0.00 ? 69 MET A HG2 11 ATOM 16291 H HG3 . MET A 1 69 ? 8.416 6.184 0.169 1.00 0.00 ? 69 MET A HG3 11 ATOM 16292 H HE1 . MET A 1 69 ? 6.969 2.740 -1.376 1.00 0.00 ? 69 MET A HE1 11 ATOM 16293 H HE2 . MET A 1 69 ? 8.513 2.147 -1.988 1.00 0.00 ? 69 MET A HE2 11 ATOM 16294 H HE3 . MET A 1 69 ? 8.303 2.440 -0.261 1.00 0.00 ? 69 MET A HE3 11 ATOM 16295 N N . LYS A 1 70 ? 7.028 2.721 3.756 1.00 0.00 ? 70 LYS A N 11 ATOM 16296 C CA . LYS A 1 70 ? 7.325 1.758 4.810 1.00 0.00 ? 70 LYS A CA 11 ATOM 16297 C C . LYS A 1 70 ? 6.459 0.511 4.667 1.00 0.00 ? 70 LYS A C 11 ATOM 16298 O O . LYS A 1 70 ? 6.891 -0.596 4.990 1.00 0.00 ? 70 LYS A O 11 ATOM 16299 C CB . LYS A 1 70 ? 7.104 2.391 6.185 1.00 0.00 ? 70 LYS A CB 11 ATOM 16300 C CG . LYS A 1 70 ? 5.698 2.195 6.726 1.00 0.00 ? 70 LYS A CG 11 ATOM 16301 C CD . LYS A 1 70 ? 5.562 2.746 8.136 1.00 0.00 ? 70 LYS A CD 11 ATOM 16302 C CE . LYS A 1 70 ? 6.298 1.879 9.146 1.00 0.00 ? 70 LYS A CE 11 ATOM 16303 N NZ . LYS A 1 70 ? 7.714 2.308 9.317 1.00 0.00 ? 70 LYS A NZ 11 ATOM 16304 H H . LYS A 1 70 ? 6.749 3.629 4.003 1.00 0.00 ? 70 LYS A H 11 ATOM 16305 H HA . LYS A 1 70 ? 8.362 1.474 4.716 1.00 0.00 ? 70 LYS A HA 11 ATOM 16306 H HB2 . LYS A 1 70 ? 7.801 1.954 6.886 1.00 0.00 ? 70 LYS A HB2 11 ATOM 16307 H HB3 . LYS A 1 70 ? 7.296 3.452 6.115 1.00 0.00 ? 70 LYS A HB3 11 ATOM 16308 H HG2 . LYS A 1 70 ? 5.000 2.708 6.082 1.00 0.00 ? 70 LYS A HG2 11 ATOM 16309 H HG3 . LYS A 1 70 ? 5.471 1.139 6.738 1.00 0.00 ? 70 LYS A HG3 11 ATOM 16310 H HD2 . LYS A 1 70 ? 5.975 3.743 8.166 1.00 0.00 ? 70 LYS A HD2 11 ATOM 16311 H HD3 . LYS A 1 70 ? 4.514 2.780 8.400 1.00 0.00 ? 70 LYS A HD3 11 ATOM 16312 H HE2 . LYS A 1 70 ? 5.793 1.950 10.097 1.00 0.00 ? 70 LYS A HE2 11 ATOM 16313 H HE3 . LYS A 1 70 ? 6.279 0.855 8.804 1.00 0.00 ? 70 LYS A HE3 11 ATOM 16314 H HZ1 . LYS A 1 70 ? 8.352 1.502 9.158 1.00 0.00 ? 70 LYS A HZ1 11 ATOM 16315 H HZ2 . LYS A 1 70 ? 7.864 2.669 10.280 1.00 0.00 ? 70 LYS A HZ2 11 ATOM 16316 H HZ3 . LYS A 1 70 ? 7.945 3.059 8.636 1.00 0.00 ? 70 LYS A HZ3 11 ATOM 16317 N N . GLN A 1 71 ? 5.236 0.698 4.181 1.00 0.00 ? 71 GLN A N 11 ATOM 16318 C CA . GLN A 1 71 ? 4.310 -0.413 3.995 1.00 0.00 ? 71 GLN A CA 11 ATOM 16319 C C . GLN A 1 71 ? 4.685 -1.235 2.766 1.00 0.00 ? 71 GLN A C 11 ATOM 16320 O O . GLN A 1 71 ? 4.481 -2.449 2.732 1.00 0.00 ? 71 GLN A O 11 ATOM 16321 C CB . GLN A 1 71 ? 2.878 0.106 3.859 1.00 0.00 ? 71 GLN A CB 11 ATOM 16322 C CG . GLN A 1 71 ? 2.312 0.676 5.149 1.00 0.00 ? 71 GLN A CG 11 ATOM 16323 C CD . GLN A 1 71 ? 1.939 -0.401 6.149 1.00 0.00 ? 71 GLN A CD 11 ATOM 16324 O OE1 . GLN A 1 71 ? 0.818 -0.910 6.141 1.00 0.00 ? 71 GLN A OE1 11 ATOM 16325 N NE2 . GLN A 1 71 ? 2.879 -0.755 7.017 1.00 0.00 ? 71 GLN A NE2 11 ATOM 16326 H H . GLN A 1 71 ? 4.950 1.603 3.942 1.00 0.00 ? 71 GLN A H 11 ATOM 16327 H HA . GLN A 1 71 ? 4.372 -1.046 4.868 1.00 0.00 ? 71 GLN A HA 11 ATOM 16328 H HB2 . GLN A 1 71 ? 2.859 0.882 3.109 1.00 0.00 ? 71 GLN A HB2 11 ATOM 16329 H HB3 . GLN A 1 71 ? 2.242 -0.707 3.541 1.00 0.00 ? 71 GLN A HB3 11 ATOM 16330 H HG2 . GLN A 1 71 ? 3.052 1.321 5.599 1.00 0.00 ? 71 GLN A HG2 11 ATOM 16331 H HG3 . GLN A 1 71 ? 1.428 1.252 4.916 1.00 0.00 ? 71 GLN A HG3 11 ATOM 16332 H HE21 . GLN A 1 71 ? 3.749 -0.305 6.965 1.00 0.00 ? 71 GLN A HE21 11 ATOM 16333 H HE22 . GLN A 1 71 ? 2.665 -1.448 7.675 1.00 0.00 ? 71 GLN A HE22 11 ATOM 16334 N N . LEU A 1 72 ? 5.233 -0.566 1.758 1.00 0.00 ? 72 LEU A N 11 ATOM 16335 C CA . LEU A 1 72 ? 5.637 -1.234 0.526 1.00 0.00 ? 72 LEU A CA 11 ATOM 16336 C C . LEU A 1 72 ? 6.758 -2.233 0.790 1.00 0.00 ? 72 LEU A C 11 ATOM 16337 O O . LEU A 1 72 ? 6.707 -3.375 0.333 1.00 0.00 ? 72 LEU A O 11 ATOM 16338 C CB . LEU A 1 72 ? 6.089 -0.204 -0.511 1.00 0.00 ? 72 LEU A CB 11 ATOM 16339 C CG . LEU A 1 72 ? 6.698 -0.768 -1.795 1.00 0.00 ? 72 LEU A CG 11 ATOM 16340 C CD1 . LEU A 1 72 ? 5.861 -1.923 -2.321 1.00 0.00 ? 72 LEU A CD1 11 ATOM 16341 C CD2 . LEU A 1 72 ? 6.827 0.323 -2.848 1.00 0.00 ? 72 LEU A CD2 11 ATOM 16342 H H . LEU A 1 72 ? 5.370 0.401 1.844 1.00 0.00 ? 72 LEU A H 11 ATOM 16343 H HA . LEU A 1 72 ? 4.779 -1.766 0.142 1.00 0.00 ? 72 LEU A HA 11 ATOM 16344 H HB2 . LEU A 1 72 ? 5.230 0.388 -0.785 1.00 0.00 ? 72 LEU A HB2 11 ATOM 16345 H HB3 . LEU A 1 72 ? 6.828 0.432 -0.044 1.00 0.00 ? 72 LEU A HB3 11 ATOM 16346 H HG . LEU A 1 72 ? 7.689 -1.145 -1.581 1.00 0.00 ? 72 LEU A HG 11 ATOM 16347 H HD11 . LEU A 1 72 ? 4.968 -1.536 -2.789 1.00 0.00 ? 72 LEU A HD11 11 ATOM 16348 H HD12 . LEU A 1 72 ? 5.586 -2.571 -1.502 1.00 0.00 ? 72 LEU A HD12 11 ATOM 16349 H HD13 . LEU A 1 72 ? 6.434 -2.483 -3.045 1.00 0.00 ? 72 LEU A HD13 11 ATOM 16350 H HD21 . LEU A 1 72 ? 7.872 0.538 -3.018 1.00 0.00 ? 72 LEU A HD21 11 ATOM 16351 H HD22 . LEU A 1 72 ? 6.327 1.217 -2.503 1.00 0.00 ? 72 LEU A HD22 11 ATOM 16352 H HD23 . LEU A 1 72 ? 6.373 -0.010 -3.770 1.00 0.00 ? 72 LEU A HD23 11 ATOM 16353 N N . LEU A 1 73 ? 7.770 -1.796 1.532 1.00 0.00 ? 73 LEU A N 11 ATOM 16354 C CA . LEU A 1 73 ? 8.904 -2.652 1.860 1.00 0.00 ? 73 LEU A CA 11 ATOM 16355 C C . LEU A 1 73 ? 8.486 -3.770 2.810 1.00 0.00 ? 73 LEU A C 11 ATOM 16356 O O . LEU A 1 73 ? 9.060 -4.860 2.795 1.00 0.00 ? 73 LEU A O 11 ATOM 16357 C CB . LEU A 1 73 ? 10.027 -1.826 2.490 1.00 0.00 ? 73 LEU A CB 11 ATOM 16358 C CG . LEU A 1 73 ? 10.251 -0.435 1.897 1.00 0.00 ? 73 LEU A CG 11 ATOM 16359 C CD1 . LEU A 1 73 ? 11.374 0.283 2.629 1.00 0.00 ? 73 LEU A CD1 11 ATOM 16360 C CD2 . LEU A 1 73 ? 10.558 -0.533 0.409 1.00 0.00 ? 73 LEU A CD2 11 ATOM 16361 H H . LEU A 1 73 ? 7.755 -0.876 1.868 1.00 0.00 ? 73 LEU A H 11 ATOM 16362 H HA . LEU A 1 73 ? 9.264 -3.092 0.942 1.00 0.00 ? 73 LEU A HA 11 ATOM 16363 H HB2 . LEU A 1 73 ? 9.800 -1.706 3.538 1.00 0.00 ? 73 LEU A HB2 11 ATOM 16364 H HB3 . LEU A 1 73 ? 10.946 -2.384 2.384 1.00 0.00 ? 73 LEU A HB3 11 ATOM 16365 H HG . LEU A 1 73 ? 9.349 0.149 2.015 1.00 0.00 ? 73 LEU A HG 11 ATOM 16366 H HD11 . LEU A 1 73 ? 12.221 -0.379 2.727 1.00 0.00 ? 73 LEU A HD11 11 ATOM 16367 H HD12 . LEU A 1 73 ? 11.033 0.579 3.609 1.00 0.00 ? 73 LEU A HD12 11 ATOM 16368 H HD13 . LEU A 1 73 ? 11.665 1.160 2.069 1.00 0.00 ? 73 LEU A HD13 11 ATOM 16369 H HD21 . LEU A 1 73 ? 11.546 -0.947 0.273 1.00 0.00 ? 73 LEU A HD21 11 ATOM 16370 H HD22 . LEU A 1 73 ? 10.516 0.453 -0.032 1.00 0.00 ? 73 LEU A HD22 11 ATOM 16371 H HD23 . LEU A 1 73 ? 9.830 -1.173 -0.067 1.00 0.00 ? 73 LEU A HD23 11 ATOM 16372 N N . LEU A 1 74 ? 7.480 -3.495 3.633 1.00 0.00 ? 74 LEU A N 11 ATOM 16373 C CA . LEU A 1 74 ? 6.982 -4.478 4.588 1.00 0.00 ? 74 LEU A CA 11 ATOM 16374 C C . LEU A 1 74 ? 6.105 -5.515 3.895 1.00 0.00 ? 74 LEU A C 11 ATOM 16375 O O . LEU A 1 74 ? 6.189 -6.709 4.186 1.00 0.00 ? 74 LEU A O 11 ATOM 16376 C CB . LEU A 1 74 ? 6.191 -3.784 5.699 1.00 0.00 ? 74 LEU A CB 11 ATOM 16377 C CG . LEU A 1 74 ? 7.009 -3.264 6.881 1.00 0.00 ? 74 LEU A CG 11 ATOM 16378 C CD1 . LEU A 1 74 ? 6.157 -2.369 7.767 1.00 0.00 ? 74 LEU A CD1 11 ATOM 16379 C CD2 . LEU A 1 74 ? 7.583 -4.422 7.684 1.00 0.00 ? 74 LEU A CD2 11 ATOM 16380 H H . LEU A 1 74 ? 7.062 -2.610 3.598 1.00 0.00 ? 74 LEU A H 11 ATOM 16381 H HA . LEU A 1 74 ? 7.834 -4.979 5.023 1.00 0.00 ? 74 LEU A HA 11 ATOM 16382 H HB2 . LEU A 1 74 ? 5.673 -2.946 5.260 1.00 0.00 ? 74 LEU A HB2 11 ATOM 16383 H HB3 . LEU A 1 74 ? 5.469 -4.492 6.081 1.00 0.00 ? 74 LEU A HB3 11 ATOM 16384 H HG . LEU A 1 74 ? 7.835 -2.673 6.507 1.00 0.00 ? 74 LEU A HG 11 ATOM 16385 H HD11 . LEU A 1 74 ? 5.283 -2.912 8.093 1.00 0.00 ? 74 LEU A HD11 11 ATOM 16386 H HD12 . LEU A 1 74 ? 5.850 -1.496 7.209 1.00 0.00 ? 74 LEU A HD12 11 ATOM 16387 H HD13 . LEU A 1 74 ? 6.732 -2.061 8.628 1.00 0.00 ? 74 LEU A HD13 11 ATOM 16388 H HD21 . LEU A 1 74 ? 7.985 -5.163 7.009 1.00 0.00 ? 74 LEU A HD21 11 ATOM 16389 H HD22 . LEU A 1 74 ? 6.801 -4.867 8.283 1.00 0.00 ? 74 LEU A HD22 11 ATOM 16390 H HD23 . LEU A 1 74 ? 8.368 -4.058 8.329 1.00 0.00 ? 74 LEU A HD23 11 ATOM 16391 N N . ILE A 1 75 ? 5.264 -5.052 2.975 1.00 0.00 ? 75 ILE A N 11 ATOM 16392 C CA . ILE A 1 75 ? 4.374 -5.940 2.238 1.00 0.00 ? 75 ILE A CA 11 ATOM 16393 C C . ILE A 1 75 ? 5.158 -6.840 1.289 1.00 0.00 ? 75 ILE A C 11 ATOM 16394 O O . ILE A 1 75 ? 4.927 -8.047 1.231 1.00 0.00 ? 75 ILE A O 11 ATOM 16395 C CB . ILE A 1 75 ? 3.330 -5.147 1.431 1.00 0.00 ? 75 ILE A CB 11 ATOM 16396 C CG1 . ILE A 1 75 ? 2.337 -4.463 2.374 1.00 0.00 ? 75 ILE A CG1 11 ATOM 16397 C CG2 . ILE A 1 75 ? 2.600 -6.066 0.462 1.00 0.00 ? 75 ILE A CG2 11 ATOM 16398 C CD1 . ILE A 1 75 ? 1.481 -3.418 1.694 1.00 0.00 ? 75 ILE A CD1 11 ATOM 16399 H H . ILE A 1 75 ? 5.243 -4.091 2.788 1.00 0.00 ? 75 ILE A H 11 ATOM 16400 H HA . ILE A 1 75 ? 3.853 -6.559 2.955 1.00 0.00 ? 75 ILE A HA 11 ATOM 16401 H HB . ILE A 1 75 ? 3.847 -4.395 0.856 1.00 0.00 ? 75 ILE A HB 11 ATOM 16402 H HG12 . ILE A 1 75 ? 1.680 -5.206 2.796 1.00 0.00 ? 75 ILE A HG12 11 ATOM 16403 H HG13 . ILE A 1 75 ? 2.884 -3.978 3.170 1.00 0.00 ? 75 ILE A HG13 11 ATOM 16404 H HG21 . ILE A 1 75 ? 2.491 -7.044 0.906 1.00 0.00 ? 75 ILE A HG21 11 ATOM 16405 H HG22 . ILE A 1 75 ? 1.624 -5.658 0.246 1.00 0.00 ? 75 ILE A HG22 11 ATOM 16406 H HG23 . ILE A 1 75 ? 3.168 -6.147 -0.453 1.00 0.00 ? 75 ILE A HG23 11 ATOM 16407 H HD11 . ILE A 1 75 ? 1.698 -2.446 2.112 1.00 0.00 ? 75 ILE A HD11 11 ATOM 16408 H HD12 . ILE A 1 75 ? 1.692 -3.411 0.635 1.00 0.00 ? 75 ILE A HD12 11 ATOM 16409 H HD13 . ILE A 1 75 ? 0.437 -3.650 1.851 1.00 0.00 ? 75 ILE A HD13 11 ATOM 16410 N N . GLN A 1 76 ? 6.086 -6.243 0.548 1.00 0.00 ? 76 GLN A N 11 ATOM 16411 C CA . GLN A 1 76 ? 6.905 -6.991 -0.399 1.00 0.00 ? 76 GLN A CA 11 ATOM 16412 C C . GLN A 1 76 ? 7.552 -8.197 0.275 1.00 0.00 ? 76 GLN A C 11 ATOM 16413 O O . GLN A 1 76 ? 7.433 -9.324 -0.203 1.00 0.00 ? 76 GLN A O 11 ATOM 16414 C CB . GLN A 1 76 ? 7.983 -6.087 -0.998 1.00 0.00 ? 76 GLN A CB 11 ATOM 16415 C CG . GLN A 1 76 ? 7.477 -5.199 -2.124 1.00 0.00 ? 76 GLN A CG 11 ATOM 16416 C CD . GLN A 1 76 ? 8.600 -4.623 -2.963 1.00 0.00 ? 76 GLN A CD 11 ATOM 16417 O OE1 . GLN A 1 76 ? 9.123 -5.286 -3.860 1.00 0.00 ? 76 GLN A OE1 11 ATOM 16418 N NE2 . GLN A 1 76 ? 8.977 -3.383 -2.676 1.00 0.00 ? 76 GLN A NE2 11 ATOM 16419 H H . GLN A 1 76 ? 6.223 -5.278 0.639 1.00 0.00 ? 76 GLN A H 11 ATOM 16420 H HA . GLN A 1 76 ? 6.260 -7.341 -1.191 1.00 0.00 ? 76 GLN A HA 11 ATOM 16421 H HB2 . GLN A 1 76 ? 8.379 -5.453 -0.219 1.00 0.00 ? 76 GLN A HB2 11 ATOM 16422 H HB3 . GLN A 1 76 ? 8.779 -6.705 -1.387 1.00 0.00 ? 76 GLN A HB3 11 ATOM 16423 H HG2 . GLN A 1 76 ? 6.833 -5.784 -2.764 1.00 0.00 ? 76 GLN A HG2 11 ATOM 16424 H HG3 . GLN A 1 76 ? 6.912 -4.384 -1.695 1.00 0.00 ? 76 GLN A HG3 11 ATOM 16425 H HE21 . GLN A 1 76 ? 8.516 -2.916 -1.948 1.00 0.00 ? 76 GLN A HE21 11 ATOM 16426 H HE22 . GLN A 1 76 ? 9.701 -2.986 -3.203 1.00 0.00 ? 76 GLN A HE22 11 ATOM 16427 N N . GLU A 1 77 ? 8.236 -7.950 1.388 1.00 0.00 ? 77 GLU A N 11 ATOM 16428 C CA . GLU A 1 77 ? 8.903 -9.016 2.126 1.00 0.00 ? 77 GLU A CA 11 ATOM 16429 C C . GLU A 1 77 ? 7.888 -10.019 2.668 1.00 0.00 ? 77 GLU A C 11 ATOM 16430 O O . GLU A 1 77 ? 8.136 -11.225 2.676 1.00 0.00 ? 77 GLU A O 11 ATOM 16431 C CB . GLU A 1 77 ? 9.724 -8.433 3.278 1.00 0.00 ? 77 GLU A CB 11 ATOM 16432 C CG . GLU A 1 77 ? 8.881 -7.753 4.344 1.00 0.00 ? 77 GLU A CG 11 ATOM 16433 C CD . GLU A 1 77 ? 9.664 -7.461 5.609 1.00 0.00 ? 77 GLU A CD 11 ATOM 16434 O OE1 . GLU A 1 77 ? 10.163 -8.422 6.232 1.00 0.00 ? 77 GLU A OE1 11 ATOM 16435 O OE2 . GLU A 1 77 ? 9.778 -6.274 5.977 1.00 0.00 ? 77 GLU A OE2 11 ATOM 16436 H H . GLU A 1 77 ? 8.294 -7.030 1.720 1.00 0.00 ? 77 GLU A H 11 ATOM 16437 H HA . GLU A 1 77 ? 9.567 -9.526 1.445 1.00 0.00 ? 77 GLU A HA 11 ATOM 16438 H HB2 . GLU A 1 77 ? 10.284 -9.229 3.744 1.00 0.00 ? 77 GLU A HB2 11 ATOM 16439 H HB3 . GLU A 1 77 ? 10.415 -7.705 2.878 1.00 0.00 ? 77 GLU A HB3 11 ATOM 16440 H HG2 . GLU A 1 77 ? 8.506 -6.821 3.948 1.00 0.00 ? 77 GLU A HG2 11 ATOM 16441 H HG3 . GLU A 1 77 ? 8.050 -8.397 4.593 1.00 0.00 ? 77 GLU A HG3 11 ATOM 16442 N N . ARG A 1 78 ? 6.746 -9.512 3.119 1.00 0.00 ? 78 ARG A N 11 ATOM 16443 C CA . ARG A 1 78 ? 5.695 -10.362 3.664 1.00 0.00 ? 78 ARG A CA 11 ATOM 16444 C C . ARG A 1 78 ? 5.111 -11.265 2.582 1.00 0.00 ? 78 ARG A C 11 ATOM 16445 O O . ARG A 1 78 ? 4.483 -12.282 2.880 1.00 0.00 ? 78 ARG A O 11 ATOM 16446 C CB . ARG A 1 78 ? 4.587 -9.507 4.283 1.00 0.00 ? 78 ARG A CB 11 ATOM 16447 C CG . ARG A 1 78 ? 4.947 -8.937 5.645 1.00 0.00 ? 78 ARG A CG 11 ATOM 16448 C CD . ARG A 1 78 ? 4.987 -10.022 6.710 1.00 0.00 ? 78 ARG A CD 11 ATOM 16449 N NE . ARG A 1 78 ? 3.652 -10.516 7.039 1.00 0.00 ? 78 ARG A NE 11 ATOM 16450 C CZ . ARG A 1 78 ? 3.067 -11.528 6.409 1.00 0.00 ? 78 ARG A CZ 11 ATOM 16451 N NH1 . ARG A 1 78 ? 3.696 -12.151 5.421 1.00 0.00 ? 78 ARG A NH1 11 ATOM 16452 N NH2 . ARG A 1 78 ? 1.851 -11.919 6.766 1.00 0.00 ? 78 ARG A NH2 11 ATOM 16453 H H . ARG A 1 78 ? 6.607 -8.542 3.086 1.00 0.00 ? 78 ARG A H 11 ATOM 16454 H HA . ARG A 1 78 ? 6.133 -10.980 4.434 1.00 0.00 ? 78 ARG A HA 11 ATOM 16455 H HB2 . ARG A 1 78 ? 4.370 -8.684 3.618 1.00 0.00 ? 78 ARG A HB2 11 ATOM 16456 H HB3 . ARG A 1 78 ? 3.701 -10.113 4.393 1.00 0.00 ? 78 ARG A HB3 11 ATOM 16457 H HG2 . ARG A 1 78 ? 5.919 -8.471 5.585 1.00 0.00 ? 78 ARG A HG2 11 ATOM 16458 H HG3 . ARG A 1 78 ? 4.209 -8.199 5.922 1.00 0.00 ? 78 ARG A HG3 11 ATOM 16459 H HD2 . ARG A 1 78 ? 5.584 -10.844 6.345 1.00 0.00 ? 78 ARG A HD2 11 ATOM 16460 H HD3 . ARG A 1 78 ? 5.440 -9.615 7.602 1.00 0.00 ? 78 ARG A HD3 11 ATOM 16461 H HE . ARG A 1 78 ? 3.170 -10.070 7.766 1.00 0.00 ? 78 ARG A HE 11 ATOM 16462 H HH11 . ARG A 1 78 ? 4.613 -11.859 5.151 1.00 0.00 ? 78 ARG A HH11 11 ATOM 16463 H HH12 . ARG A 1 78 ? 3.253 -12.913 4.949 1.00 0.00 ? 78 ARG A HH12 11 ATOM 16464 H HH21 . ARG A 1 78 ? 1.374 -11.452 7.510 1.00 0.00 ? 78 ARG A HH21 11 ATOM 16465 H HH22 . ARG A 1 78 ? 1.411 -12.681 6.291 1.00 0.00 ? 78 ARG A HH22 11 ATOM 16466 N N . TRP A 1 79 ? 5.321 -10.888 1.327 1.00 0.00 ? 79 TRP A N 11 ATOM 16467 C CA . TRP A 1 79 ? 4.815 -11.663 0.200 1.00 0.00 ? 79 TRP A CA 11 ATOM 16468 C C . TRP A 1 79 ? 5.776 -12.791 -0.160 1.00 0.00 ? 79 TRP A C 11 ATOM 16469 O O . TRP A 1 79 ? 5.443 -13.969 -0.031 1.00 0.00 ? 79 TRP A O 11 ATOM 16470 C CB . TRP A 1 79 ? 4.595 -10.757 -1.012 1.00 0.00 ? 79 TRP A CB 11 ATOM 16471 C CG . TRP A 1 79 ? 3.855 -11.428 -2.130 1.00 0.00 ? 79 TRP A CG 11 ATOM 16472 C CD1 . TRP A 1 79 ? 3.025 -12.508 -2.031 1.00 0.00 ? 79 TRP A CD1 11 ATOM 16473 C CD2 . TRP A 1 79 ? 3.881 -11.064 -3.514 1.00 0.00 ? 79 TRP A CD2 11 ATOM 16474 N NE1 . TRP A 1 79 ? 2.533 -12.838 -3.271 1.00 0.00 ? 79 TRP A NE1 11 ATOM 16475 C CE2 . TRP A 1 79 ? 3.042 -11.967 -4.197 1.00 0.00 ? 79 TRP A CE2 11 ATOM 16476 C CE3 . TRP A 1 79 ? 4.528 -10.063 -4.243 1.00 0.00 ? 79 TRP A CE3 11 ATOM 16477 C CZ2 . TRP A 1 79 ? 2.837 -11.897 -5.573 1.00 0.00 ? 79 TRP A CZ2 11 ATOM 16478 C CZ3 . TRP A 1 79 ? 4.324 -9.995 -5.608 1.00 0.00 ? 79 TRP A CZ3 11 ATOM 16479 C CH2 . TRP A 1 79 ? 3.484 -10.907 -6.261 1.00 0.00 ? 79 TRP A CH2 11 ATOM 16480 H H . TRP A 1 79 ? 5.829 -10.067 1.152 1.00 0.00 ? 79 TRP A H 11 ATOM 16481 H HA . TRP A 1 79 ? 3.868 -12.093 0.493 1.00 0.00 ? 79 TRP A HA 11 ATOM 16482 H HB2 . TRP A 1 79 ? 4.026 -9.891 -0.708 1.00 0.00 ? 79 TRP A HB2 11 ATOM 16483 H HB3 . TRP A 1 79 ? 5.555 -10.437 -1.392 1.00 0.00 ? 79 TRP A HB3 11 ATOM 16484 H HD1 . TRP A 1 79 ? 2.800 -13.019 -1.107 1.00 0.00 ? 79 TRP A HD1 11 ATOM 16485 H HE1 . TRP A 1 79 ? 1.916 -13.576 -3.460 1.00 0.00 ? 79 TRP A HE1 11 ATOM 16486 H HE3 . TRP A 1 79 ? 5.179 -9.352 -3.758 1.00 0.00 ? 79 TRP A HE3 11 ATOM 16487 H HZ2 . TRP A 1 79 ? 2.192 -12.592 -6.091 1.00 0.00 ? 79 TRP A HZ2 11 ATOM 16488 H HZ3 . TRP A 1 79 ? 4.817 -9.229 -6.188 1.00 0.00 ? 79 TRP A HZ3 11 ATOM 16489 H HH2 . TRP A 1 79 ? 3.354 -10.816 -7.329 1.00 0.00 ? 79 TRP A HH2 11 ATOM 16490 N N . LYS A 1 80 ? 6.970 -12.423 -0.613 1.00 0.00 ? 80 LYS A N 11 ATOM 16491 C CA . LYS A 1 80 ? 7.981 -13.403 -0.991 1.00 0.00 ? 80 LYS A CA 11 ATOM 16492 C C . LYS A 1 80 ? 8.021 -14.555 0.008 1.00 0.00 ? 80 LYS A C 11 ATOM 16493 O O . LYS A 1 80 ? 8.437 -15.665 -0.327 1.00 0.00 ? 80 LYS A O 11 ATOM 16494 C CB . LYS A 1 80 ? 9.357 -12.740 -1.077 1.00 0.00 ? 80 LYS A CB 11 ATOM 16495 C CG . LYS A 1 80 ? 9.880 -12.249 0.262 1.00 0.00 ? 80 LYS A CG 11 ATOM 16496 C CD . LYS A 1 80 ? 11.283 -11.678 0.137 1.00 0.00 ? 80 LYS A CD 11 ATOM 16497 C CE . LYS A 1 80 ? 12.073 -11.854 1.425 1.00 0.00 ? 80 LYS A CE 11 ATOM 16498 N NZ . LYS A 1 80 ? 13.492 -11.430 1.267 1.00 0.00 ? 80 LYS A NZ 11 ATOM 16499 H H . LYS A 1 80 ? 7.176 -11.468 -0.694 1.00 0.00 ? 80 LYS A H 11 ATOM 16500 H HA . LYS A 1 80 ? 7.717 -13.794 -1.962 1.00 0.00 ? 80 LYS A HA 11 ATOM 16501 H HB2 . LYS A 1 80 ? 10.063 -13.453 -1.476 1.00 0.00 ? 80 LYS A HB2 11 ATOM 16502 H HB3 . LYS A 1 80 ? 9.294 -11.894 -1.747 1.00 0.00 ? 80 LYS A HB3 11 ATOM 16503 H HG2 . LYS A 1 80 ? 9.222 -11.479 0.636 1.00 0.00 ? 80 LYS A HG2 11 ATOM 16504 H HG3 . LYS A 1 80 ? 9.899 -13.078 0.956 1.00 0.00 ? 80 LYS A HG3 11 ATOM 16505 H HD2 . LYS A 1 80 ? 11.800 -12.189 -0.662 1.00 0.00 ? 80 LYS A HD2 11 ATOM 16506 H HD3 . LYS A 1 80 ? 11.214 -10.624 -0.092 1.00 0.00 ? 80 LYS A HD3 11 ATOM 16507 H HE2 . LYS A 1 80 ? 11.612 -11.260 2.199 1.00 0.00 ? 80 LYS A HE2 11 ATOM 16508 H HE3 . LYS A 1 80 ? 12.047 -12.896 1.708 1.00 0.00 ? 80 LYS A HE3 11 ATOM 16509 H HZ1 . LYS A 1 80 ? 14.128 -12.225 1.482 1.00 0.00 ? 80 LYS A HZ1 11 ATOM 16510 H HZ2 . LYS A 1 80 ? 13.704 -10.646 1.916 1.00 0.00 ? 80 LYS A HZ2 11 ATOM 16511 H HZ3 . LYS A 1 80 ? 13.665 -11.116 0.292 1.00 0.00 ? 80 LYS A HZ3 11 ATOM 16512 N N . ARG A 1 81 ? 7.586 -14.285 1.234 1.00 0.00 ? 81 ARG A N 11 ATOM 16513 C CA . ARG A 1 81 ? 7.573 -15.300 2.281 1.00 0.00 ? 81 ARG A CA 11 ATOM 16514 C C . ARG A 1 81 ? 6.247 -16.056 2.288 1.00 0.00 ? 81 ARG A C 11 ATOM 16515 O O . ARG A 1 81 ? 6.220 -17.279 2.424 1.00 0.00 ? 81 ARG A O 11 ATOM 16516 C CB . ARG A 1 81 ? 7.812 -14.656 3.648 1.00 0.00 ? 81 ARG A CB 11 ATOM 16517 C CG . ARG A 1 81 ? 9.242 -14.184 3.856 1.00 0.00 ? 81 ARG A CG 11 ATOM 16518 C CD . ARG A 1 81 ? 9.457 -13.666 5.270 1.00 0.00 ? 81 ARG A CD 11 ATOM 16519 N NE . ARG A 1 81 ? 9.433 -14.743 6.257 1.00 0.00 ? 81 ARG A NE 11 ATOM 16520 C CZ . ARG A 1 81 ? 9.488 -14.540 7.568 1.00 0.00 ? 81 ARG A CZ 11 ATOM 16521 N NH1 . ARG A 1 81 ? 9.570 -13.306 8.048 1.00 0.00 ? 81 ARG A NH1 11 ATOM 16522 N NH2 . ARG A 1 81 ? 9.461 -15.571 8.402 1.00 0.00 ? 81 ARG A NH2 11 ATOM 16523 H H . ARG A 1 81 ? 7.266 -13.382 1.440 1.00 0.00 ? 81 ARG A H 11 ATOM 16524 H HA . ARG A 1 81 ? 8.371 -15.998 2.077 1.00 0.00 ? 81 ARG A HA 11 ATOM 16525 H HB2 . ARG A 1 81 ? 7.156 -13.804 3.751 1.00 0.00 ? 81 ARG A HB2 11 ATOM 16526 H HB3 . ARG A 1 81 ? 7.578 -15.376 4.417 1.00 0.00 ? 81 ARG A HB3 11 ATOM 16527 H HG2 . ARG A 1 81 ? 9.914 -15.011 3.682 1.00 0.00 ? 81 ARG A HG2 11 ATOM 16528 H HG3 . ARG A 1 81 ? 9.454 -13.390 3.155 1.00 0.00 ? 81 ARG A HG3 11 ATOM 16529 H HD2 . ARG A 1 81 ? 10.415 -13.171 5.316 1.00 0.00 ? 81 ARG A HD2 11 ATOM 16530 H HD3 . ARG A 1 81 ? 8.675 -12.959 5.503 1.00 0.00 ? 81 ARG A HD3 11 ATOM 16531 H HE . ARG A 1 81 ? 9.373 -15.662 5.924 1.00 0.00 ? 81 ARG A HE 11 ATOM 16532 H HH11 . ARG A 1 81 ? 9.589 -12.527 7.422 1.00 0.00 ? 81 ARG A HH11 11 ATOM 16533 H HH12 . ARG A 1 81 ? 9.610 -13.156 9.036 1.00 0.00 ? 81 ARG A HH12 11 ATOM 16534 H HH21 . ARG A 1 81 ? 9.399 -16.502 8.044 1.00 0.00 ? 81 ARG A HH21 11 ATOM 16535 H HH22 . ARG A 1 81 ? 9.503 -15.417 9.389 1.00 0.00 ? 81 ARG A HH22 11 ATOM 16536 N N . ALA A 1 82 ? 5.151 -15.320 2.142 1.00 0.00 ? 82 ALA A N 11 ATOM 16537 C CA . ALA A 1 82 ? 3.823 -15.921 2.130 1.00 0.00 ? 82 ALA A CA 11 ATOM 16538 C C . ALA A 1 82 ? 3.664 -16.879 0.954 1.00 0.00 ? 82 ALA A C 11 ATOM 16539 O O . ALA A 1 82 ? 2.826 -17.780 0.983 1.00 0.00 ? 82 ALA A O 11 ATOM 16540 C CB . ALA A 1 82 ? 2.754 -14.839 2.079 1.00 0.00 ? 82 ALA A CB 11 ATOM 16541 H H . ALA A 1 82 ? 5.237 -14.349 2.038 1.00 0.00 ? 82 ALA A H 11 ATOM 16542 H HA . ALA A 1 82 ? 3.698 -16.473 3.051 1.00 0.00 ? 82 ALA A HA 11 ATOM 16543 H HB1 . ALA A 1 82 ? 2.938 -14.116 2.861 1.00 0.00 ? 82 ALA A HB1 11 ATOM 16544 H HB2 . ALA A 1 82 ? 2.786 -14.347 1.119 1.00 0.00 ? 82 ALA A HB2 11 ATOM 16545 H HB3 . ALA A 1 82 ? 1.783 -15.286 2.224 1.00 0.00 ? 82 ALA A HB3 11 ATOM 16546 N N . LYS A 1 83 ? 4.475 -16.679 -0.079 1.00 0.00 ? 83 LYS A N 11 ATOM 16547 C CA . LYS A 1 83 ? 4.426 -17.525 -1.266 1.00 0.00 ? 83 LYS A CA 11 ATOM 16548 C C . LYS A 1 83 ? 4.548 -18.998 -0.889 1.00 0.00 ? 83 LYS A C 11 ATOM 16549 O O . LYS A 1 83 ? 3.753 -19.829 -1.329 1.00 0.00 ? 83 LYS A O 11 ATOM 16550 C CB . LYS A 1 83 ? 5.544 -17.142 -2.237 1.00 0.00 ? 83 LYS A CB 11 ATOM 16551 C CG . LYS A 1 83 ? 5.428 -15.724 -2.770 1.00 0.00 ? 83 LYS A CG 11 ATOM 16552 C CD . LYS A 1 83 ? 4.439 -15.640 -3.920 1.00 0.00 ? 83 LYS A CD 11 ATOM 16553 C CE . LYS A 1 83 ? 5.120 -15.872 -5.260 1.00 0.00 ? 83 LYS A CE 11 ATOM 16554 N NZ . LYS A 1 83 ? 5.321 -17.321 -5.537 1.00 0.00 ? 83 LYS A NZ 11 ATOM 16555 H H . LYS A 1 83 ? 5.123 -15.944 -0.043 1.00 0.00 ? 83 LYS A H 11 ATOM 16556 H HA . LYS A 1 83 ? 3.473 -17.367 -1.747 1.00 0.00 ? 83 LYS A HA 11 ATOM 16557 H HB2 . LYS A 1 83 ? 6.493 -17.237 -1.731 1.00 0.00 ? 83 LYS A HB2 11 ATOM 16558 H HB3 . LYS A 1 83 ? 5.524 -17.822 -3.077 1.00 0.00 ? 83 LYS A HB3 11 ATOM 16559 H HG2 . LYS A 1 83 ? 5.093 -15.076 -1.973 1.00 0.00 ? 83 LYS A HG2 11 ATOM 16560 H HG3 . LYS A 1 83 ? 6.399 -15.399 -3.117 1.00 0.00 ? 83 LYS A HG3 11 ATOM 16561 H HD2 . LYS A 1 83 ? 3.675 -16.391 -3.783 1.00 0.00 ? 83 LYS A HD2 11 ATOM 16562 H HD3 . LYS A 1 83 ? 3.985 -14.659 -3.922 1.00 0.00 ? 83 LYS A HD3 11 ATOM 16563 H HE2 . LYS A 1 83 ? 4.507 -15.447 -6.039 1.00 0.00 ? 83 LYS A HE2 11 ATOM 16564 H HE3 . LYS A 1 83 ? 6.082 -15.380 -5.250 1.00 0.00 ? 83 LYS A HE3 11 ATOM 16565 H HZ1 . LYS A 1 83 ? 6.232 -17.637 -5.147 1.00 0.00 ? 83 LYS A HZ1 11 ATOM 16566 H HZ2 . LYS A 1 83 ? 5.318 -17.493 -6.562 1.00 0.00 ? 83 LYS A HZ2 11 ATOM 16567 H HZ3 . LYS A 1 83 ? 4.558 -17.878 -5.101 1.00 0.00 ? 83 LYS A HZ3 11 ATOM 16568 N N . ARG A 1 84 ? 5.547 -19.314 -0.071 1.00 0.00 ? 84 ARG A N 11 ATOM 16569 C CA . ARG A 1 84 ? 5.773 -20.687 0.365 1.00 0.00 ? 84 ARG A CA 11 ATOM 16570 C C . ARG A 1 84 ? 4.923 -21.015 1.589 1.00 0.00 ? 84 ARG A C 11 ATOM 16571 O O . ARG A 1 84 ? 4.288 -22.068 1.651 1.00 0.00 ? 84 ARG A O 11 ATOM 16572 C CB . ARG A 1 84 ? 7.253 -20.907 0.685 1.00 0.00 ? 84 ARG A CB 11 ATOM 16573 C CG . ARG A 1 84 ? 7.814 -19.910 1.686 1.00 0.00 ? 84 ARG A CG 11 ATOM 16574 C CD . ARG A 1 84 ? 9.279 -20.185 1.984 1.00 0.00 ? 84 ARG A CD 11 ATOM 16575 N NE . ARG A 1 84 ? 10.160 -19.626 0.962 1.00 0.00 ? 84 ARG A NE 11 ATOM 16576 C CZ . ARG A 1 84 ? 10.534 -18.352 0.931 1.00 0.00 ? 84 ARG A CZ 11 ATOM 16577 N NH1 . ARG A 1 84 ? 10.106 -17.509 1.861 1.00 0.00 ? 84 ARG A NH1 11 ATOM 16578 N NH2 . ARG A 1 84 ? 11.338 -17.919 -0.031 1.00 0.00 ? 84 ARG A NH2 11 ATOM 16579 H H . ARG A 1 84 ? 6.148 -18.608 0.246 1.00 0.00 ? 84 ARG A H 11 ATOM 16580 H HA . ARG A 1 84 ? 5.487 -21.343 -0.444 1.00 0.00 ? 84 ARG A HA 11 ATOM 16581 H HB2 . ARG A 1 84 ? 7.378 -21.900 1.090 1.00 0.00 ? 84 ARG A HB2 11 ATOM 16582 H HB3 . ARG A 1 84 ? 7.822 -20.826 -0.229 1.00 0.00 ? 84 ARG A HB3 11 ATOM 16583 H HG2 . ARG A 1 84 ? 7.722 -18.914 1.278 1.00 0.00 ? 84 ARG A HG2 11 ATOM 16584 H HG3 . ARG A 1 84 ? 7.249 -19.979 2.603 1.00 0.00 ? 84 ARG A HG3 11 ATOM 16585 H HD2 . ARG A 1 84 ? 9.527 -19.746 2.939 1.00 0.00 ? 84 ARG A HD2 11 ATOM 16586 H HD3 . ARG A 1 84 ? 9.428 -21.253 2.030 1.00 0.00 ? 84 ARG A HD3 11 ATOM 16587 H HE . ARG A 1 84 ? 10.488 -20.232 0.265 1.00 0.00 ? 84 ARG A HE 11 ATOM 16588 H HH11 . ARG A 1 84 ? 9.501 -17.833 2.588 1.00 0.00 ? 84 ARG A HH11 11 ATOM 16589 H HH12 . ARG A 1 84 ? 10.390 -16.551 1.836 1.00 0.00 ? 84 ARG A HH12 11 ATOM 16590 H HH21 . ARG A 1 84 ? 11.663 -18.551 -0.734 1.00 0.00 ? 84 ARG A HH21 11 ATOM 16591 H HH22 . ARG A 1 84 ? 11.619 -16.960 -0.054 1.00 0.00 ? 84 ARG A HH22 11 ATOM 16592 N N . GLU A 1 85 ? 4.916 -20.107 2.559 1.00 0.00 ? 85 GLU A N 11 ATOM 16593 C CA . GLU A 1 85 ? 4.144 -20.302 3.781 1.00 0.00 ? 85 GLU A CA 11 ATOM 16594 C C . GLU A 1 85 ? 2.704 -20.687 3.460 1.00 0.00 ? 85 GLU A C 11 ATOM 16595 O O . GLU A 1 85 ? 2.101 -21.508 4.151 1.00 0.00 ? 85 GLU A O 11 ATOM 16596 C CB . GLU A 1 85 ? 4.166 -19.030 4.632 1.00 0.00 ? 85 GLU A CB 11 ATOM 16597 C CG . GLU A 1 85 ? 5.566 -18.535 4.952 1.00 0.00 ? 85 GLU A CG 11 ATOM 16598 C CD . GLU A 1 85 ? 6.119 -19.135 6.230 1.00 0.00 ? 85 GLU A CD 11 ATOM 16599 O OE1 . GLU A 1 85 ? 6.211 -20.377 6.312 1.00 0.00 ? 85 GLU A OE1 11 ATOM 16600 O OE2 . GLU A 1 85 ? 6.461 -18.360 7.149 1.00 0.00 ? 85 GLU A OE2 11 ATOM 16601 H H . GLU A 1 85 ? 5.442 -19.287 2.451 1.00 0.00 ? 85 GLU A H 11 ATOM 16602 H HA . GLU A 1 85 ? 4.603 -21.104 4.339 1.00 0.00 ? 85 GLU A HA 11 ATOM 16603 H HB2 . GLU A 1 85 ? 3.641 -18.248 4.102 1.00 0.00 ? 85 GLU A HB2 11 ATOM 16604 H HB3 . GLU A 1 85 ? 3.655 -19.226 5.563 1.00 0.00 ? 85 GLU A HB3 11 ATOM 16605 H HG2 . GLU A 1 85 ? 6.222 -18.798 4.136 1.00 0.00 ? 85 GLU A HG2 11 ATOM 16606 H HG3 . GLU A 1 85 ? 5.539 -17.460 5.058 1.00 0.00 ? 85 GLU A HG3 11 ATOM 16607 N N . GLU A 1 86 ? 2.158 -20.089 2.405 1.00 0.00 ? 86 GLU A N 11 ATOM 16608 C CA . GLU A 1 86 ? 0.788 -20.369 1.993 1.00 0.00 ? 86 GLU A CA 11 ATOM 16609 C C . GLU A 1 86 ? 0.725 -21.629 1.134 1.00 0.00 ? 86 GLU A C 11 ATOM 16610 O O . GLU A 1 86 ? -0.118 -22.500 1.352 1.00 0.00 ? 86 GLU A O 11 ATOM 16611 C CB . GLU A 1 86 ? 0.212 -19.182 1.219 1.00 0.00 ? 86 GLU A CB 11 ATOM 16612 C CG . GLU A 1 86 ? -1.061 -19.511 0.458 1.00 0.00 ? 86 GLU A CG 11 ATOM 16613 C CD . GLU A 1 86 ? -1.944 -18.297 0.244 1.00 0.00 ? 86 GLU A CD 11 ATOM 16614 O OE1 . GLU A 1 86 ? -1.970 -17.418 1.130 1.00 0.00 ? 86 GLU A OE1 11 ATOM 16615 O OE2 . GLU A 1 86 ? -2.610 -18.227 -0.810 1.00 0.00 ? 86 GLU A OE2 11 ATOM 16616 H H . GLU A 1 86 ? 2.689 -19.444 1.893 1.00 0.00 ? 86 GLU A H 11 ATOM 16617 H HA . GLU A 1 86 ? 0.199 -20.526 2.884 1.00 0.00 ? 86 GLU A HA 11 ATOM 16618 H HB2 . GLU A 1 86 ? -0.005 -18.385 1.915 1.00 0.00 ? 86 GLU A HB2 11 ATOM 16619 H HB3 . GLU A 1 86 ? 0.950 -18.837 0.510 1.00 0.00 ? 86 GLU A HB3 11 ATOM 16620 H HG2 . GLU A 1 86 ? -0.795 -19.917 -0.506 1.00 0.00 ? 86 GLU A HG2 11 ATOM 16621 H HG3 . GLU A 1 86 ? -1.619 -20.249 1.016 1.00 0.00 ? 86 GLU A HG3 11 ATOM 16622 N N . ARG A 1 87 ? 1.622 -21.718 0.158 1.00 0.00 ? 87 ARG A N 11 ATOM 16623 C CA . ARG A 1 87 ? 1.667 -22.870 -0.735 1.00 0.00 ? 87 ARG A CA 11 ATOM 16624 C C . ARG A 1 87 ? 1.826 -24.165 0.056 1.00 0.00 ? 87 ARG A C 11 ATOM 16625 O O . ARG A 1 87 ? 1.379 -25.228 -0.377 1.00 0.00 ? 87 ARG A O 11 ATOM 16626 C CB . ARG A 1 87 ? 2.819 -22.724 -1.732 1.00 0.00 ? 87 ARG A CB 11 ATOM 16627 C CG . ARG A 1 87 ? 2.441 -21.961 -2.991 1.00 0.00 ? 87 ARG A CG 11 ATOM 16628 C CD . ARG A 1 87 ? 1.642 -22.829 -3.950 1.00 0.00 ? 87 ARG A CD 11 ATOM 16629 N NE . ARG A 1 87 ? 2.432 -23.942 -4.469 1.00 0.00 ? 87 ARG A NE 11 ATOM 16630 C CZ . ARG A 1 87 ? 3.278 -23.831 -5.487 1.00 0.00 ? 87 ARG A CZ 11 ATOM 16631 N NH1 . ARG A 1 87 ? 3.442 -22.663 -6.092 1.00 0.00 ? 87 ARG A NH1 11 ATOM 16632 N NH2 . ARG A 1 87 ? 3.962 -24.890 -5.902 1.00 0.00 ? 87 ARG A NH2 11 ATOM 16633 H H . ARG A 1 87 ? 2.268 -20.992 0.034 1.00 0.00 ? 87 ARG A H 11 ATOM 16634 H HA . ARG A 1 87 ? 0.735 -22.906 -1.278 1.00 0.00 ? 87 ARG A HA 11 ATOM 16635 H HB2 . ARG A 1 87 ? 3.632 -22.200 -1.251 1.00 0.00 ? 87 ARG A HB2 11 ATOM 16636 H HB3 . ARG A 1 87 ? 3.155 -23.708 -2.021 1.00 0.00 ? 87 ARG A HB3 11 ATOM 16637 H HG2 . ARG A 1 87 ? 1.844 -21.104 -2.716 1.00 0.00 ? 87 ARG A HG2 11 ATOM 16638 H HG3 . ARG A 1 87 ? 3.343 -21.630 -3.484 1.00 0.00 ? 87 ARG A HG3 11 ATOM 16639 H HD2 . ARG A 1 87 ? 0.783 -23.223 -3.427 1.00 0.00 ? 87 ARG A HD2 11 ATOM 16640 H HD3 . ARG A 1 87 ? 1.311 -22.218 -4.776 1.00 0.00 ? 87 ARG A HD3 11 ATOM 16641 H HE . ARG A 1 87 ? 2.326 -24.814 -4.036 1.00 0.00 ? 87 ARG A HE 11 ATOM 16642 H HH11 . ARG A 1 87 ? 2.929 -21.863 -5.782 1.00 0.00 ? 87 ARG A HH11 11 ATOM 16643 H HH12 . ARG A 1 87 ? 4.080 -22.582 -6.858 1.00 0.00 ? 87 ARG A HH12 11 ATOM 16644 H HH21 . ARG A 1 87 ? 3.841 -25.772 -5.448 1.00 0.00 ? 87 ARG A HH21 11 ATOM 16645 H HH22 . ARG A 1 87 ? 4.598 -24.805 -6.668 1.00 0.00 ? 87 ARG A HH22 11 ATOM 16646 N N . LEU A 1 88 ? 2.466 -24.069 1.216 1.00 0.00 ? 88 LEU A N 11 ATOM 16647 C CA . LEU A 1 88 ? 2.685 -25.232 2.068 1.00 0.00 ? 88 LEU A CA 11 ATOM 16648 C C . LEU A 1 88 ? 1.397 -25.639 2.777 1.00 0.00 ? 88 LEU A C 11 ATOM 16649 O O . LEU A 1 88 ? 0.852 -26.715 2.530 1.00 0.00 ? 88 LEU A O 11 ATOM 16650 C CB . LEU A 1 88 ? 3.776 -24.937 3.099 1.00 0.00 ? 88 LEU A CB 11 ATOM 16651 C CG . LEU A 1 88 ? 5.205 -25.284 2.681 1.00 0.00 ? 88 LEU A CG 11 ATOM 16652 C CD1 . LEU A 1 88 ? 5.286 -26.726 2.203 1.00 0.00 ? 88 LEU A CD1 11 ATOM 16653 C CD2 . LEU A 1 88 ? 5.691 -24.333 1.597 1.00 0.00 ? 88 LEU A CD2 11 ATOM 16654 H H . LEU A 1 88 ? 2.799 -23.195 1.508 1.00 0.00 ? 88 LEU A H 11 ATOM 16655 H HA . LEU A 1 88 ? 3.007 -26.048 1.438 1.00 0.00 ? 88 LEU A HA 11 ATOM 16656 H HB2 . LEU A 1 88 ? 3.744 -23.881 3.321 1.00 0.00 ? 88 LEU A HB2 11 ATOM 16657 H HB3 . LEU A 1 88 ? 3.545 -25.498 3.993 1.00 0.00 ? 88 LEU A HB3 11 ATOM 16658 H HG . LEU A 1 88 ? 5.859 -25.179 3.537 1.00 0.00 ? 88 LEU A HG 11 ATOM 16659 H HD11 . LEU A 1 88 ? 4.337 -27.213 2.366 1.00 0.00 ? 88 LEU A HD11 11 ATOM 16660 H HD12 . LEU A 1 88 ? 6.057 -27.245 2.754 1.00 0.00 ? 88 LEU A HD12 11 ATOM 16661 H HD13 . LEU A 1 88 ? 5.525 -26.742 1.150 1.00 0.00 ? 88 LEU A HD13 11 ATOM 16662 H HD21 . LEU A 1 88 ? 6.465 -24.813 1.018 1.00 0.00 ? 88 LEU A HD21 11 ATOM 16663 H HD22 . LEU A 1 88 ? 6.087 -23.438 2.055 1.00 0.00 ? 88 LEU A HD22 11 ATOM 16664 H HD23 . LEU A 1 88 ? 4.865 -24.072 0.951 1.00 0.00 ? 88 LEU A HD23 11 ATOM 16665 N N . LYS A 1 89 ? 0.912 -24.769 3.657 1.00 0.00 ? 89 LYS A N 11 ATOM 16666 C CA . LYS A 1 89 ? -0.314 -25.034 4.400 1.00 0.00 ? 89 LYS A CA 11 ATOM 16667 C C . LYS A 1 89 ? -1.429 -25.491 3.464 1.00 0.00 ? 89 LYS A C 11 ATOM 16668 O O . LYS A 1 89 ? -2.410 -26.092 3.900 1.00 0.00 ? 89 LYS A O 11 ATOM 16669 C CB . LYS A 1 89 ? -0.754 -23.782 5.161 1.00 0.00 ? 89 LYS A CB 11 ATOM 16670 C CG . LYS A 1 89 ? -1.299 -22.684 4.263 1.00 0.00 ? 89 LYS A CG 11 ATOM 16671 C CD . LYS A 1 89 ? -1.857 -21.526 5.074 1.00 0.00 ? 89 LYS A CD 11 ATOM 16672 C CE . LYS A 1 89 ? -2.770 -20.647 4.233 1.00 0.00 ? 89 LYS A CE 11 ATOM 16673 N NZ . LYS A 1 89 ? -3.061 -19.349 4.904 1.00 0.00 ? 89 LYS A NZ 11 ATOM 16674 H H . LYS A 1 89 ? 1.392 -23.927 3.811 1.00 0.00 ? 89 LYS A H 11 ATOM 16675 H HA . LYS A 1 89 ? -0.109 -25.822 5.108 1.00 0.00 ? 89 LYS A HA 11 ATOM 16676 H HB2 . LYS A 1 89 ? -1.525 -24.056 5.867 1.00 0.00 ? 89 LYS A HB2 11 ATOM 16677 H HB3 . LYS A 1 89 ? 0.094 -23.388 5.703 1.00 0.00 ? 89 LYS A HB3 11 ATOM 16678 H HG2 . LYS A 1 89 ? -0.501 -22.318 3.634 1.00 0.00 ? 89 LYS A HG2 11 ATOM 16679 H HG3 . LYS A 1 89 ? -2.087 -23.093 3.647 1.00 0.00 ? 89 LYS A HG3 11 ATOM 16680 H HD2 . LYS A 1 89 ? -2.421 -21.920 5.906 1.00 0.00 ? 89 LYS A HD2 11 ATOM 16681 H HD3 . LYS A 1 89 ? -1.036 -20.928 5.443 1.00 0.00 ? 89 LYS A HD3 11 ATOM 16682 H HE2 . LYS A 1 89 ? -2.290 -20.453 3.286 1.00 0.00 ? 89 LYS A HE2 11 ATOM 16683 H HE3 . LYS A 1 89 ? -3.698 -21.172 4.065 1.00 0.00 ? 89 LYS A HE3 11 ATOM 16684 H HZ1 . LYS A 1 89 ? -4.083 -19.259 5.077 1.00 0.00 ? 89 LYS A HZ1 11 ATOM 16685 H HZ2 . LYS A 1 89 ? -2.752 -18.559 4.303 1.00 0.00 ? 89 LYS A HZ2 11 ATOM 16686 H HZ3 . LYS A 1 89 ? -2.560 -19.296 5.813 1.00 0.00 ? 89 LYS A HZ3 11 ATOM 16687 N N . ALA A 1 90 ? -1.269 -25.205 2.176 1.00 0.00 ? 90 ALA A N 11 ATOM 16688 C CA . ALA A 1 90 ? -2.260 -25.590 1.179 1.00 0.00 ? 90 ALA A CA 11 ATOM 16689 C C . ALA A 1 90 ? -2.492 -27.097 1.189 1.00 0.00 ? 90 ALA A C 11 ATOM 16690 O O . ALA A 1 90 ? -1.556 -27.878 1.363 1.00 0.00 ? 90 ALA A O 11 ATOM 16691 C CB . ALA A 1 90 ? -1.823 -25.130 -0.204 1.00 0.00 ? 90 ALA A CB 11 ATOM 16692 H H . ALA A 1 90 ? -0.464 -24.724 1.890 1.00 0.00 ? 90 ALA A H 11 ATOM 16693 H HA . ALA A 1 90 ? -3.188 -25.092 1.421 1.00 0.00 ? 90 ALA A HA 11 ATOM 16694 H HB1 . ALA A 1 90 ? -1.712 -25.990 -0.849 1.00 0.00 ? 90 ALA A HB1 11 ATOM 16695 H HB2 . ALA A 1 90 ? -2.569 -24.466 -0.614 1.00 0.00 ? 90 ALA A HB2 11 ATOM 16696 H HB3 . ALA A 1 90 ? -0.879 -24.611 -0.129 1.00 0.00 ? 90 ALA A HB3 11 ATOM 16697 N N . HIS A 1 91 ? -3.745 -27.500 1.003 1.00 0.00 ? 91 HIS A N 11 ATOM 16698 C CA . HIS A 1 91 ? -4.099 -28.915 0.990 1.00 0.00 ? 91 HIS A CA 11 ATOM 16699 C C . HIS A 1 91 ? -3.296 -29.685 2.034 1.00 0.00 ? 91 HIS A C 11 ATOM 16700 O O . HIS A 1 91 ? -2.753 -30.752 1.750 1.00 0.00 ? 91 HIS A O 11 ATOM 16701 C CB . HIS A 1 91 ? -3.859 -29.510 -0.397 1.00 0.00 ? 91 HIS A CB 11 ATOM 16702 C CG . HIS A 1 91 ? -4.260 -30.949 -0.509 1.00 0.00 ? 91 HIS A CG 11 ATOM 16703 N ND1 . HIS A 1 91 ? -3.650 -31.835 -1.371 1.00 0.00 ? 91 HIS A ND1 11 ATOM 16704 C CD2 . HIS A 1 91 ? -5.215 -31.655 0.140 1.00 0.00 ? 91 HIS A CD2 11 ATOM 16705 C CE1 . HIS A 1 91 ? -4.215 -33.024 -1.249 1.00 0.00 ? 91 HIS A CE1 11 ATOM 16706 N NE2 . HIS A 1 91 ? -5.167 -32.941 -0.338 1.00 0.00 ? 91 HIS A NE2 11 ATOM 16707 H H . HIS A 1 91 ? -4.447 -26.830 0.870 1.00 0.00 ? 91 HIS A H 11 ATOM 16708 H HA . HIS A 1 91 ? -5.149 -28.996 1.230 1.00 0.00 ? 91 HIS A HA 11 ATOM 16709 H HB2 . HIS A 1 91 ? -4.426 -28.950 -1.125 1.00 0.00 ? 91 HIS A HB2 11 ATOM 16710 H HB3 . HIS A 1 91 ? -2.807 -29.439 -0.635 1.00 0.00 ? 91 HIS A HB3 11 ATOM 16711 H HD1 . HIS A 1 91 ? -2.915 -31.625 -1.983 1.00 0.00 ? 91 HIS A HD1 11 ATOM 16712 H HD2 . HIS A 1 91 ? -5.892 -31.276 0.894 1.00 0.00 ? 91 HIS A HD2 11 ATOM 16713 H HE1 . HIS A 1 91 ? -3.944 -33.912 -1.799 1.00 0.00 ? 91 HIS A HE1 11 ATOM 16714 H HE2 . HIS A 1 91 ? -5.798 -33.656 -0.115 1.00 0.00 ? 91 HIS A HE2 11 ATOM 16715 N N . SER A 1 92 ? -3.225 -29.136 3.243 1.00 0.00 ? 92 SER A N 11 ATOM 16716 C CA . SER A 1 92 ? -2.484 -29.769 4.327 1.00 0.00 ? 92 SER A CA 11 ATOM 16717 C C . SER A 1 92 ? -3.101 -29.425 5.680 1.00 0.00 ? 92 SER A C 11 ATOM 16718 O O . SER A 1 92 ? -3.415 -28.267 5.954 1.00 0.00 ? 92 SER A O 11 ATOM 16719 C CB . SER A 1 92 ? -1.018 -29.332 4.296 1.00 0.00 ? 92 SER A CB 11 ATOM 16720 O OG . SER A 1 92 ? -0.222 -30.155 5.130 1.00 0.00 ? 92 SER A OG 11 ATOM 16721 H H . SER A 1 92 ? -3.679 -28.283 3.407 1.00 0.00 ? 92 SER A H 11 ATOM 16722 H HA . SER A 1 92 ? -2.535 -30.838 4.184 1.00 0.00 ? 92 SER A HA 11 ATOM 16723 H HB2 . SER A 1 92 ? -0.647 -29.399 3.285 1.00 0.00 ? 92 SER A HB2 11 ATOM 16724 H HB3 . SER A 1 92 ? -0.943 -28.311 4.640 1.00 0.00 ? 92 SER A HB3 11 ATOM 16725 H HG . SER A 1 92 ? 0.532 -30.481 4.634 1.00 0.00 ? 92 SER A HG 11 ATOM 16726 N N . GLY A 1 93 ? -3.271 -30.440 6.521 1.00 0.00 ? 93 GLY A N 11 ATOM 16727 C CA . GLY A 1 93 ? -3.849 -30.225 7.835 1.00 0.00 ? 93 GLY A CA 11 ATOM 16728 C C . GLY A 1 93 ? -5.344 -29.980 7.778 1.00 0.00 ? 93 GLY A C 11 ATOM 16729 O O . GLY A 1 93 ? -5.950 -29.959 6.706 1.00 0.00 ? 93 GLY A O 11 ATOM 16730 H H . GLY A 1 93 ? -3.002 -31.342 6.248 1.00 0.00 ? 93 GLY A H 11 ATOM 16731 H HA2 . GLY A 1 93 ? -3.660 -31.095 8.446 1.00 0.00 ? 93 GLY A HA2 11 ATOM 16732 H HA3 . GLY A 1 93 ? -3.373 -29.368 8.290 1.00 0.00 ? 93 GLY A HA3 11 ATOM 16733 N N . PRO A 1 94 ? -5.962 -29.791 8.953 1.00 0.00 ? 94 PRO A N 11 ATOM 16734 C CA . PRO A 1 94 ? -7.403 -29.545 9.059 1.00 0.00 ? 94 PRO A CA 11 ATOM 16735 C C . PRO A 1 94 ? -7.798 -28.174 8.519 1.00 0.00 ? 94 PRO A C 11 ATOM 16736 O O . PRO A 1 94 ? -8.969 -27.796 8.555 1.00 0.00 ? 94 PRO A O 11 ATOM 16737 C CB . PRO A 1 94 ? -7.667 -29.623 10.564 1.00 0.00 ? 94 PRO A CB 11 ATOM 16738 C CG . PRO A 1 94 ? -6.363 -29.277 11.196 1.00 0.00 ? 94 PRO A CG 11 ATOM 16739 C CD . PRO A 1 94 ? -5.302 -29.803 10.269 1.00 0.00 ? 94 PRO A CD 11 ATOM 16740 H HA . PRO A 1 94 ? -7.975 -30.308 8.551 1.00 0.00 ? 94 PRO A HA 11 ATOM 16741 H HB2 . PRO A 1 94 ? -8.438 -28.914 10.835 1.00 0.00 ? 94 PRO A HB2 11 ATOM 16742 H HB3 . PRO A 1 94 ? -7.980 -30.622 10.827 1.00 0.00 ? 94 PRO A HB3 11 ATOM 16743 H HG2 . PRO A 1 94 ? -6.276 -28.206 11.296 1.00 0.00 ? 94 PRO A HG2 11 ATOM 16744 H HG3 . PRO A 1 94 ? -6.285 -29.754 12.162 1.00 0.00 ? 94 PRO A HG3 11 ATOM 16745 H HD2 . PRO A 1 94 ? -4.440 -29.152 10.274 1.00 0.00 ? 94 PRO A HD2 11 ATOM 16746 H HD3 . PRO A 1 94 ? -5.020 -30.807 10.549 1.00 0.00 ? 94 PRO A HD3 11 ATOM 16747 N N . SER A 1 95 ? -6.813 -27.434 8.019 1.00 0.00 ? 95 SER A N 11 ATOM 16748 C CA . SER A 1 95 ? -7.058 -26.103 7.475 1.00 0.00 ? 95 SER A CA 11 ATOM 16749 C C . SER A 1 95 ? -7.903 -26.182 6.207 1.00 0.00 ? 95 SER A C 11 ATOM 16750 O O . SER A 1 95 ? -7.436 -26.639 5.164 1.00 0.00 ? 95 SER A O 11 ATOM 16751 C CB . SER A 1 95 ? -5.733 -25.400 7.175 1.00 0.00 ? 95 SER A CB 11 ATOM 16752 O OG . SER A 1 95 ? -4.950 -25.267 8.349 1.00 0.00 ? 95 SER A OG 11 ATOM 16753 H H . SER A 1 95 ? -5.900 -27.791 8.019 1.00 0.00 ? 95 SER A H 11 ATOM 16754 H HA . SER A 1 95 ? -7.597 -25.535 8.218 1.00 0.00 ? 95 SER A HA 11 ATOM 16755 H HB2 . SER A 1 95 ? -5.178 -25.977 6.451 1.00 0.00 ? 95 SER A HB2 11 ATOM 16756 H HB3 . SER A 1 95 ? -5.933 -24.416 6.776 1.00 0.00 ? 95 SER A HB3 11 ATOM 16757 H HG . SER A 1 95 ? -4.064 -25.597 8.182 1.00 0.00 ? 95 SER A HG 11 ATOM 16758 N N . SER A 1 96 ? -9.150 -25.733 6.306 1.00 0.00 ? 96 SER A N 11 ATOM 16759 C CA . SER A 1 96 ? -10.063 -25.755 5.169 1.00 0.00 ? 96 SER A CA 11 ATOM 16760 C C . SER A 1 96 ? -9.565 -24.840 4.054 1.00 0.00 ? 96 SER A C 11 ATOM 16761 O O . SER A 1 96 ? -8.620 -24.075 4.240 1.00 0.00 ? 96 SER A O 11 ATOM 16762 C CB . SER A 1 96 ? -11.466 -25.329 5.605 1.00 0.00 ? 96 SER A CB 11 ATOM 16763 O OG . SER A 1 96 ? -12.426 -25.639 4.610 1.00 0.00 ? 96 SER A OG 11 ATOM 16764 H H . SER A 1 96 ? -9.464 -25.380 7.165 1.00 0.00 ? 96 SER A H 11 ATOM 16765 H HA . SER A 1 96 ? -10.103 -26.768 4.796 1.00 0.00 ? 96 SER A HA 11 ATOM 16766 H HB2 . SER A 1 96 ? -11.729 -25.845 6.516 1.00 0.00 ? 96 SER A HB2 11 ATOM 16767 H HB3 . SER A 1 96 ? -11.477 -24.263 5.780 1.00 0.00 ? 96 SER A HB3 11 ATOM 16768 H HG . SER A 1 96 ? -12.665 -26.566 4.674 1.00 0.00 ? 96 SER A HG 11 ATOM 16769 N N . GLY A 1 97 ? -10.209 -24.926 2.894 1.00 0.00 ? 97 GLY A N 11 ATOM 16770 C CA . GLY A 1 97 ? -9.818 -24.101 1.766 1.00 0.00 ? 97 GLY A CA 11 ATOM 16771 C C . GLY A 1 97 ? -10.165 -24.738 0.434 1.00 0.00 ? 97 GLY A C 11 ATOM 16772 O O . GLY A 1 97 ? -11.334 -24.993 0.147 1.00 0.00 ? 97 GLY A O 11 ATOM 16773 H H . GLY A 1 97 ? -10.956 -25.554 2.804 1.00 0.00 ? 97 GLY A H 11 ATOM 16774 H HA2 . GLY A 1 97 ? -10.321 -23.148 1.839 1.00 0.00 ? 97 GLY A HA2 11 ATOM 16775 H HA3 . GLY A 1 97 ? -8.751 -23.938 1.806 1.00 0.00 ? 97 GLY A HA3 11 ATOM 16776 N N . GLY A 1 1 ? -6.467 10.636 20.803 1.00 0.00 ? 1 GLY A N 12 ATOM 16777 C CA . GLY A 1 1 ? -6.638 10.797 19.371 1.00 0.00 ? 1 GLY A CA 12 ATOM 16778 C C . GLY A 1 1 ? -6.703 12.253 18.955 1.00 0.00 ? 1 GLY A C 12 ATOM 16779 O O . GLY A 1 1 ? -7.740 12.901 19.097 1.00 0.00 ? 1 GLY A O 12 ATOM 16780 H H1 . GLY A 1 1 ? -6.592 9.755 21.214 1.00 0.00 ? 1 GLY A H1 12 ATOM 16781 H HA2 . GLY A 1 1 ? -5.809 10.325 18.865 1.00 0.00 ? 1 GLY A HA2 12 ATOM 16782 H HA3 . GLY A 1 1 ? -7.554 10.309 19.072 1.00 0.00 ? 1 GLY A HA3 12 ATOM 16783 N N . SER A 1 2 ? -5.591 12.770 18.441 1.00 0.00 ? 2 SER A N 12 ATOM 16784 C CA . SER A 1 2 ? -5.524 14.161 18.009 1.00 0.00 ? 2 SER A CA 12 ATOM 16785 C C . SER A 1 2 ? -6.048 14.313 16.584 1.00 0.00 ? 2 SER A C 12 ATOM 16786 O O . SER A 1 2 ? -5.670 13.558 15.688 1.00 0.00 ? 2 SER A O 12 ATOM 16787 C CB . SER A 1 2 ? -4.085 14.675 18.092 1.00 0.00 ? 2 SER A CB 12 ATOM 16788 O OG . SER A 1 2 ? -4.033 16.078 17.907 1.00 0.00 ? 2 SER A OG 12 ATOM 16789 H H . SER A 1 2 ? -4.797 12.203 18.354 1.00 0.00 ? 2 SER A H 12 ATOM 16790 H HA . SER A 1 2 ? -6.145 14.745 18.672 1.00 0.00 ? 2 SER A HA 12 ATOM 16791 H HB2 . SER A 1 2 ? -3.676 14.436 19.062 1.00 0.00 ? 2 SER A HB2 12 ATOM 16792 H HB3 . SER A 1 2 ? -3.492 14.200 17.324 1.00 0.00 ? 2 SER A HB3 12 ATOM 16793 H HG . SER A 1 2 ? -4.865 16.469 18.186 1.00 0.00 ? 2 SER A HG 12 ATOM 16794 N N . SER A 1 3 ? -6.922 15.294 16.383 1.00 0.00 ? 3 SER A N 12 ATOM 16795 C CA . SER A 1 3 ? -7.503 15.543 15.068 1.00 0.00 ? 3 SER A CA 12 ATOM 16796 C C . SER A 1 3 ? -7.243 16.979 14.624 1.00 0.00 ? 3 SER A C 12 ATOM 16797 O O . SER A 1 3 ? -7.864 17.917 15.122 1.00 0.00 ? 3 SER A O 12 ATOM 16798 C CB . SER A 1 3 ? -9.007 15.269 15.091 1.00 0.00 ? 3 SER A CB 12 ATOM 16799 O OG . SER A 1 3 ? -9.583 15.475 13.813 1.00 0.00 ? 3 SER A OG 12 ATOM 16800 H H . SER A 1 3 ? -7.185 15.862 17.138 1.00 0.00 ? 3 SER A H 12 ATOM 16801 H HA . SER A 1 3 ? -7.033 14.871 14.366 1.00 0.00 ? 3 SER A HA 12 ATOM 16802 H HB2 . SER A 1 3 ? -9.180 14.246 15.390 1.00 0.00 ? 3 SER A HB2 12 ATOM 16803 H HB3 . SER A 1 3 ? -9.481 15.934 15.798 1.00 0.00 ? 3 SER A HB3 12 ATOM 16804 H HG . SER A 1 3 ? -9.170 14.886 13.177 1.00 0.00 ? 3 SER A HG 12 ATOM 16805 N N . GLY A 1 4 ? -6.319 17.142 13.681 1.00 0.00 ? 4 GLY A N 12 ATOM 16806 C CA . GLY A 1 4 ? -5.992 18.466 13.184 1.00 0.00 ? 4 GLY A CA 12 ATOM 16807 C C . GLY A 1 4 ? -4.621 18.521 12.540 1.00 0.00 ? 4 GLY A C 12 ATOM 16808 O O . GLY A 1 4 ? -3.602 18.495 13.230 1.00 0.00 ? 4 GLY A O 12 ATOM 16809 H H . GLY A 1 4 ? -5.856 16.358 13.321 1.00 0.00 ? 4 GLY A H 12 ATOM 16810 H HA2 . GLY A 1 4 ? -6.733 18.758 12.455 1.00 0.00 ? 4 GLY A HA2 12 ATOM 16811 H HA3 . GLY A 1 4 ? -6.018 19.164 14.008 1.00 0.00 ? 4 GLY A HA3 12 ATOM 16812 N N . SER A 1 5 ? -4.595 18.596 11.213 1.00 0.00 ? 5 SER A N 12 ATOM 16813 C CA . SER A 1 5 ? -3.339 18.649 10.475 1.00 0.00 ? 5 SER A CA 12 ATOM 16814 C C . SER A 1 5 ? -2.879 20.092 10.289 1.00 0.00 ? 5 SER A C 12 ATOM 16815 O O . SER A 1 5 ? -1.792 20.470 10.726 1.00 0.00 ? 5 SER A O 12 ATOM 16816 C CB . SER A 1 5 ? -3.494 17.972 9.112 1.00 0.00 ? 5 SER A CB 12 ATOM 16817 O OG . SER A 1 5 ? -2.303 18.077 8.352 1.00 0.00 ? 5 SER A OG 12 ATOM 16818 H H . SER A 1 5 ? -5.442 18.613 10.719 1.00 0.00 ? 5 SER A H 12 ATOM 16819 H HA . SER A 1 5 ? -2.594 18.118 11.049 1.00 0.00 ? 5 SER A HA 12 ATOM 16820 H HB2 . SER A 1 5 ? -3.723 16.927 9.257 1.00 0.00 ? 5 SER A HB2 12 ATOM 16821 H HB3 . SER A 1 5 ? -4.298 18.445 8.568 1.00 0.00 ? 5 SER A HB3 12 ATOM 16822 H HG . SER A 1 5 ? -1.963 18.973 8.411 1.00 0.00 ? 5 SER A HG 12 ATOM 16823 N N . SER A 1 6 ? -3.714 20.893 9.636 1.00 0.00 ? 6 SER A N 12 ATOM 16824 C CA . SER A 1 6 ? -3.393 22.294 9.387 1.00 0.00 ? 6 SER A CA 12 ATOM 16825 C C . SER A 1 6 ? -2.222 22.419 8.418 1.00 0.00 ? 6 SER A C 12 ATOM 16826 O O . SER A 1 6 ? -1.305 23.210 8.633 1.00 0.00 ? 6 SER A O 12 ATOM 16827 C CB . SER A 1 6 ? -3.061 23.004 10.701 1.00 0.00 ? 6 SER A CB 12 ATOM 16828 O OG . SER A 1 6 ? -3.250 24.403 10.586 1.00 0.00 ? 6 SER A OG 12 ATOM 16829 H H . SER A 1 6 ? -4.566 20.533 9.311 1.00 0.00 ? 6 SER A H 12 ATOM 16830 H HA . SER A 1 6 ? -4.262 22.760 8.946 1.00 0.00 ? 6 SER A HA 12 ATOM 16831 H HB2 . SER A 1 6 ? -3.704 22.629 11.482 1.00 0.00 ? 6 SER A HB2 12 ATOM 16832 H HB3 . SER A 1 6 ? -2.030 22.811 10.960 1.00 0.00 ? 6 SER A HB3 12 ATOM 16833 H HG . SER A 1 6 ? -2.959 24.696 9.719 1.00 0.00 ? 6 SER A HG 12 ATOM 16834 N N . GLY A 1 7 ? -2.260 21.630 7.348 1.00 0.00 ? 7 GLY A N 12 ATOM 16835 C CA . GLY A 1 7 ? -1.197 21.666 6.361 1.00 0.00 ? 7 GLY A CA 12 ATOM 16836 C C . GLY A 1 7 ? -1.721 21.596 4.941 1.00 0.00 ? 7 GLY A C 12 ATOM 16837 O O . GLY A 1 7 ? -2.612 22.356 4.563 1.00 0.00 ? 7 GLY A O 12 ATOM 16838 H H . GLY A 1 7 ? -3.016 21.018 7.228 1.00 0.00 ? 7 GLY A H 12 ATOM 16839 H HA2 . GLY A 1 7 ? -0.638 22.583 6.483 1.00 0.00 ? 7 GLY A HA2 12 ATOM 16840 H HA3 . GLY A 1 7 ? -0.535 20.829 6.530 1.00 0.00 ? 7 GLY A HA3 12 ATOM 16841 N N . MET A 1 8 ? -1.166 20.683 4.151 1.00 0.00 ? 8 MET A N 12 ATOM 16842 C CA . MET A 1 8 ? -1.584 20.517 2.764 1.00 0.00 ? 8 MET A CA 12 ATOM 16843 C C . MET A 1 8 ? -2.920 19.786 2.682 1.00 0.00 ? 8 MET A C 12 ATOM 16844 O O . MET A 1 8 ? -2.961 18.568 2.513 1.00 0.00 ? 8 MET A O 12 ATOM 16845 C CB . MET A 1 8 ? -0.520 19.749 1.977 1.00 0.00 ? 8 MET A CB 12 ATOM 16846 C CG . MET A 1 8 ? -0.711 19.818 0.470 1.00 0.00 ? 8 MET A CG 12 ATOM 16847 S SD . MET A 1 8 ? -0.195 21.400 -0.224 1.00 0.00 ? 8 MET A SD 12 ATOM 16848 C CE . MET A 1 8 ? 0.798 20.854 -1.610 1.00 0.00 ? 8 MET A CE 12 ATOM 16849 H H . MET A 1 8 ? -0.459 20.106 4.509 1.00 0.00 ? 8 MET A H 12 ATOM 16850 H HA . MET A 1 8 ? -1.697 21.500 2.333 1.00 0.00 ? 8 MET A HA 12 ATOM 16851 H HB2 . MET A 1 8 ? 0.451 20.157 2.214 1.00 0.00 ? 8 MET A HB2 12 ATOM 16852 H HB3 . MET A 1 8 ? -0.548 18.711 2.274 1.00 0.00 ? 8 MET A HB3 12 ATOM 16853 H HG2 . MET A 1 8 ? -0.129 19.033 0.011 1.00 0.00 ? 8 MET A HG2 12 ATOM 16854 H HG3 . MET A 1 8 ? -1.756 19.666 0.247 1.00 0.00 ? 8 MET A HG3 12 ATOM 16855 H HE1 . MET A 1 8 ? 1.843 20.886 -1.340 1.00 0.00 ? 8 MET A HE1 12 ATOM 16856 H HE2 . MET A 1 8 ? 0.525 19.842 -1.872 1.00 0.00 ? 8 MET A HE2 12 ATOM 16857 H HE3 . MET A 1 8 ? 0.625 21.504 -2.455 1.00 0.00 ? 8 MET A HE3 12 ATOM 16858 N N . GLU A 1 9 ? -4.009 20.539 2.803 1.00 0.00 ? 9 GLU A N 12 ATOM 16859 C CA . GLU A 1 9 ? -5.347 19.960 2.744 1.00 0.00 ? 9 GLU A CA 12 ATOM 16860 C C . GLU A 1 9 ? -5.775 19.726 1.298 1.00 0.00 ? 9 GLU A C 12 ATOM 16861 O O . GLU A 1 9 ? -6.017 20.673 0.550 1.00 0.00 ? 9 GLU A O 12 ATOM 16862 C CB . GLU A 1 9 ? -6.354 20.875 3.444 1.00 0.00 ? 9 GLU A CB 12 ATOM 16863 C CG . GLU A 1 9 ? -6.498 20.598 4.931 1.00 0.00 ? 9 GLU A CG 12 ATOM 16864 C CD . GLU A 1 9 ? -7.362 21.625 5.635 1.00 0.00 ? 9 GLU A CD 12 ATOM 16865 O OE1 . GLU A 1 9 ? -8.584 21.648 5.381 1.00 0.00 ? 9 GLU A OE1 12 ATOM 16866 O OE2 . GLU A 1 9 ? -6.816 22.407 6.441 1.00 0.00 ? 9 GLU A OE2 12 ATOM 16867 H H . GLU A 1 9 ? -3.911 21.504 2.936 1.00 0.00 ? 9 GLU A H 12 ATOM 16868 H HA . GLU A 1 9 ? -5.320 19.011 3.257 1.00 0.00 ? 9 GLU A HA 12 ATOM 16869 H HB2 . GLU A 1 9 ? -6.038 21.901 3.318 1.00 0.00 ? 9 GLU A HB2 12 ATOM 16870 H HB3 . GLU A 1 9 ? -7.320 20.747 2.980 1.00 0.00 ? 9 GLU A HB3 12 ATOM 16871 H HG2 . GLU A 1 9 ? -6.945 19.624 5.060 1.00 0.00 ? 9 GLU A HG2 12 ATOM 16872 H HG3 . GLU A 1 9 ? -5.516 20.604 5.382 1.00 0.00 ? 9 GLU A HG3 12 ATOM 16873 N N . GLY A 1 10 ? -5.864 18.457 0.911 1.00 0.00 ? 10 GLY A N 12 ATOM 16874 C CA . GLY A 1 10 ? -6.262 18.121 -0.443 1.00 0.00 ? 10 GLY A CA 12 ATOM 16875 C C . GLY A 1 10 ? -5.615 16.842 -0.937 1.00 0.00 ? 10 GLY A C 12 ATOM 16876 O O . GLY A 1 10 ? -6.264 15.805 -1.071 1.00 0.00 ? 10 GLY A O 12 ATOM 16877 H H . GLY A 1 10 ? -5.659 17.744 1.551 1.00 0.00 ? 10 GLY A H 12 ATOM 16878 H HA2 . GLY A 1 10 ? -7.335 18.004 -0.473 1.00 0.00 ? 10 GLY A HA2 12 ATOM 16879 H HA3 . GLY A 1 10 ? -5.980 18.930 -1.100 1.00 0.00 ? 10 GLY A HA3 12 ATOM 16880 N N . PRO A 1 11 ? -4.305 16.907 -1.218 1.00 0.00 ? 11 PRO A N 12 ATOM 16881 C CA . PRO A 1 11 ? -3.542 15.755 -1.705 1.00 0.00 ? 11 PRO A CA 12 ATOM 16882 C C . PRO A 1 11 ? -3.359 14.685 -0.633 1.00 0.00 ? 11 PRO A C 12 ATOM 16883 O O . PRO A 1 11 ? -2.950 13.561 -0.926 1.00 0.00 ? 11 PRO A O 12 ATOM 16884 C CB . PRO A 1 11 ? -2.190 16.362 -2.091 1.00 0.00 ? 11 PRO A CB 12 ATOM 16885 C CG . PRO A 1 11 ? -2.070 17.584 -1.248 1.00 0.00 ? 11 PRO A CG 12 ATOM 16886 C CD . PRO A 1 11 ? -3.468 18.111 -1.080 1.00 0.00 ? 11 PRO A CD 12 ATOM 16887 H HA . PRO A 1 11 ? -4.002 15.313 -2.576 1.00 0.00 ? 11 PRO A HA 12 ATOM 16888 H HB2 . PRO A 1 11 ? -1.401 15.654 -1.877 1.00 0.00 ? 11 PRO A HB2 12 ATOM 16889 H HB3 . PRO A 1 11 ? -2.188 16.605 -3.142 1.00 0.00 ? 11 PRO A HB3 12 ATOM 16890 H HG2 . PRO A 1 11 ? -1.648 17.329 -0.288 1.00 0.00 ? 11 PRO A HG2 12 ATOM 16891 H HG3 . PRO A 1 11 ? -1.452 18.315 -1.749 1.00 0.00 ? 11 PRO A HG3 12 ATOM 16892 H HD2 . PRO A 1 11 ? -3.589 18.556 -0.104 1.00 0.00 ? 11 PRO A HD2 12 ATOM 16893 H HD3 . PRO A 1 11 ? -3.696 18.829 -1.855 1.00 0.00 ? 11 PRO A HD3 12 ATOM 16894 N N . LEU A 1 12 ? -3.664 15.042 0.610 1.00 0.00 ? 12 LEU A N 12 ATOM 16895 C CA . LEU A 1 12 ? -3.534 14.112 1.726 1.00 0.00 ? 12 LEU A CA 12 ATOM 16896 C C . LEU A 1 12 ? -4.669 13.093 1.722 1.00 0.00 ? 12 LEU A C 12 ATOM 16897 O O . LEU A 1 12 ? -4.440 11.896 1.557 1.00 0.00 ? 12 LEU A O 12 ATOM 16898 C CB . LEU A 1 12 ? -3.523 14.875 3.052 1.00 0.00 ? 12 LEU A CB 12 ATOM 16899 C CG . LEU A 1 12 ? -2.184 15.489 3.463 1.00 0.00 ? 12 LEU A CG 12 ATOM 16900 C CD1 . LEU A 1 12 ? -2.387 16.537 4.546 1.00 0.00 ? 12 LEU A CD1 12 ATOM 16901 C CD2 . LEU A 1 12 ? -1.225 14.407 3.939 1.00 0.00 ? 12 LEU A CD2 12 ATOM 16902 H H . LEU A 1 12 ? -3.984 15.952 0.782 1.00 0.00 ? 12 LEU A H 12 ATOM 16903 H HA . LEU A 1 12 ? -2.596 13.589 1.614 1.00 0.00 ? 12 LEU A HA 12 ATOM 16904 H HB2 . LEU A 1 12 ? -4.244 15.675 2.979 1.00 0.00 ? 12 LEU A HB2 12 ATOM 16905 H HB3 . LEU A 1 12 ? -3.827 14.189 3.830 1.00 0.00 ? 12 LEU A HB3 12 ATOM 16906 H HG . LEU A 1 12 ? -1.741 15.977 2.606 1.00 0.00 ? 12 LEU A HG 12 ATOM 16907 H HD11 . LEU A 1 12 ? -1.494 17.137 4.638 1.00 0.00 ? 12 LEU A HD11 12 ATOM 16908 H HD12 . LEU A 1 12 ? -2.591 16.047 5.487 1.00 0.00 ? 12 LEU A HD12 12 ATOM 16909 H HD13 . LEU A 1 12 ? -3.222 17.170 4.282 1.00 0.00 ? 12 LEU A HD13 12 ATOM 16910 H HD21 . LEU A 1 12 ? -0.269 14.851 4.171 1.00 0.00 ? 12 LEU A HD21 12 ATOM 16911 H HD22 . LEU A 1 12 ? -1.100 13.669 3.159 1.00 0.00 ? 12 LEU A HD22 12 ATOM 16912 H HD23 . LEU A 1 12 ? -1.627 13.933 4.822 1.00 0.00 ? 12 LEU A HD23 12 ATOM 16913 N N . ASN A 1 13 ? -5.893 13.578 1.902 1.00 0.00 ? 13 ASN A N 12 ATOM 16914 C CA . ASN A 1 13 ? -7.064 12.710 1.917 1.00 0.00 ? 13 ASN A CA 12 ATOM 16915 C C . ASN A 1 13 ? -7.140 11.876 0.641 1.00 0.00 ? 13 ASN A C 12 ATOM 16916 O O . ASN A 1 13 ? -7.495 10.697 0.677 1.00 0.00 ? 13 ASN A O 12 ATOM 16917 C CB . ASN A 1 13 ? -8.340 13.541 2.072 1.00 0.00 ? 13 ASN A CB 12 ATOM 16918 C CG . ASN A 1 13 ? -9.500 12.726 2.609 1.00 0.00 ? 13 ASN A CG 12 ATOM 16919 O OD1 . ASN A 1 13 ? -10.376 12.301 1.856 1.00 0.00 ? 13 ASN A OD1 12 ATOM 16920 N ND2 . ASN A 1 13 ? -9.510 12.503 3.918 1.00 0.00 ? 13 ASN A ND2 12 ATOM 16921 H H . ASN A 1 13 ? -6.012 14.543 2.028 1.00 0.00 ? 13 ASN A H 12 ATOM 16922 H HA . ASN A 1 13 ? -6.973 12.045 2.763 1.00 0.00 ? 13 ASN A HA 12 ATOM 16923 H HB2 . ASN A 1 13 ? -8.150 14.356 2.756 1.00 0.00 ? 13 ASN A HB2 12 ATOM 16924 H HB3 . ASN A 1 13 ? -8.620 13.942 1.110 1.00 0.00 ? 13 ASN A HB3 12 ATOM 16925 H HD21 . ASN A 1 13 ? -8.779 12.873 4.457 1.00 0.00 ? 13 ASN A HD21 12 ATOM 16926 H HD22 . ASN A 1 13 ? -10.248 11.978 4.292 1.00 0.00 ? 13 ASN A HD22 12 ATOM 16927 N N . LEU A 1 14 ? -6.803 12.495 -0.485 1.00 0.00 ? 14 LEU A N 12 ATOM 16928 C CA . LEU A 1 14 ? -6.831 11.811 -1.772 1.00 0.00 ? 14 LEU A CA 12 ATOM 16929 C C . LEU A 1 14 ? -5.871 10.626 -1.780 1.00 0.00 ? 14 LEU A C 12 ATOM 16930 O O . LEU A 1 14 ? -6.061 9.664 -2.525 1.00 0.00 ? 14 LEU A O 12 ATOM 16931 C CB . LEU A 1 14 ? -6.469 12.782 -2.897 1.00 0.00 ? 14 LEU A CB 12 ATOM 16932 C CG . LEU A 1 14 ? -7.490 13.883 -3.187 1.00 0.00 ? 14 LEU A CG 12 ATOM 16933 C CD1 . LEU A 1 14 ? -6.820 15.067 -3.867 1.00 0.00 ? 14 LEU A CD1 12 ATOM 16934 C CD2 . LEU A 1 14 ? -8.625 13.344 -4.047 1.00 0.00 ? 14 LEU A CD2 12 ATOM 16935 H H . LEU A 1 14 ? -6.528 13.435 -0.450 1.00 0.00 ? 14 LEU A H 12 ATOM 16936 H HA . LEU A 1 14 ? -7.835 11.446 -1.932 1.00 0.00 ? 14 LEU A HA 12 ATOM 16937 H HB2 . LEU A 1 14 ? -5.536 13.258 -2.635 1.00 0.00 ? 14 LEU A HB2 12 ATOM 16938 H HB3 . LEU A 1 14 ? -6.336 12.206 -3.801 1.00 0.00 ? 14 LEU A HB3 12 ATOM 16939 H HG . LEU A 1 14 ? -7.912 14.230 -2.254 1.00 0.00 ? 14 LEU A HG 12 ATOM 16940 H HD11 . LEU A 1 14 ? -5.806 15.160 -3.510 1.00 0.00 ? 14 LEU A HD11 12 ATOM 16941 H HD12 . LEU A 1 14 ? -7.367 15.970 -3.639 1.00 0.00 ? 14 LEU A HD12 12 ATOM 16942 H HD13 . LEU A 1 14 ? -6.813 14.911 -4.936 1.00 0.00 ? 14 LEU A HD13 12 ATOM 16943 H HD21 . LEU A 1 14 ? -8.290 12.463 -4.574 1.00 0.00 ? 14 LEU A HD21 12 ATOM 16944 H HD22 . LEU A 1 14 ? -8.925 14.098 -4.760 1.00 0.00 ? 14 LEU A HD22 12 ATOM 16945 H HD23 . LEU A 1 14 ? -9.464 13.090 -3.416 1.00 0.00 ? 14 LEU A HD23 12 ATOM 16946 N N . ALA A 1 15 ? -4.839 10.701 -0.945 1.00 0.00 ? 15 ALA A N 12 ATOM 16947 C CA . ALA A 1 15 ? -3.852 9.633 -0.853 1.00 0.00 ? 15 ALA A CA 12 ATOM 16948 C C . ALA A 1 15 ? -4.306 8.547 0.117 1.00 0.00 ? 15 ALA A C 12 ATOM 16949 O O . ALA A 1 15 ? -3.731 7.459 0.161 1.00 0.00 ? 15 ALA A O 12 ATOM 16950 C CB . ALA A 1 15 ? -2.504 10.195 -0.426 1.00 0.00 ? 15 ALA A CB 12 ATOM 16951 H H . ALA A 1 15 ? -4.741 11.493 -0.377 1.00 0.00 ? 15 ALA A H 12 ATOM 16952 H HA . ALA A 1 15 ? -3.738 9.198 -1.836 1.00 0.00 ? 15 ALA A HA 12 ATOM 16953 H HB1 . ALA A 1 15 ? -2.177 9.698 0.476 1.00 0.00 ? 15 ALA A HB1 12 ATOM 16954 H HB2 . ALA A 1 15 ? -1.781 10.031 -1.211 1.00 0.00 ? 15 ALA A HB2 12 ATOM 16955 H HB3 . ALA A 1 15 ? -2.600 11.254 -0.239 1.00 0.00 ? 15 ALA A HB3 12 ATOM 16956 N N . HIS A 1 16 ? -5.340 8.851 0.895 1.00 0.00 ? 16 HIS A N 12 ATOM 16957 C CA . HIS A 1 16 ? -5.871 7.900 1.866 1.00 0.00 ? 16 HIS A CA 12 ATOM 16958 C C . HIS A 1 16 ? -6.782 6.882 1.187 1.00 0.00 ? 16 HIS A C 12 ATOM 16959 O O . HIS A 1 16 ? -6.791 5.706 1.549 1.00 0.00 ? 16 HIS A O 12 ATOM 16960 C CB . HIS A 1 16 ? -6.639 8.636 2.964 1.00 0.00 ? 16 HIS A CB 12 ATOM 16961 C CG . HIS A 1 16 ? -5.807 9.629 3.715 1.00 0.00 ? 16 HIS A CG 12 ATOM 16962 N ND1 . HIS A 1 16 ? -6.309 10.421 4.725 1.00 0.00 ? 16 HIS A ND1 12 ATOM 16963 C CD2 . HIS A 1 16 ? -4.498 9.954 3.599 1.00 0.00 ? 16 HIS A CD2 12 ATOM 16964 C CE1 . HIS A 1 16 ? -5.346 11.192 5.197 1.00 0.00 ? 16 HIS A CE1 12 ATOM 16965 N NE2 . HIS A 1 16 ? -4.236 10.928 4.531 1.00 0.00 ? 16 HIS A NE2 12 ATOM 16966 H H . HIS A 1 16 ? -5.757 9.734 0.814 1.00 0.00 ? 16 HIS A H 12 ATOM 16967 H HA . HIS A 1 16 ? -5.037 7.378 2.309 1.00 0.00 ? 16 HIS A HA 12 ATOM 16968 H HB2 . HIS A 1 16 ? -7.468 9.168 2.520 1.00 0.00 ? 16 HIS A HB2 12 ATOM 16969 H HB3 . HIS A 1 16 ? -7.019 7.915 3.674 1.00 0.00 ? 16 HIS A HB3 12 ATOM 16970 H HD1 . HIS A 1 16 ? -7.234 10.420 5.047 1.00 0.00 ? 16 HIS A HD1 12 ATOM 16971 H HD2 . HIS A 1 16 ? -3.790 9.527 2.903 1.00 0.00 ? 16 HIS A HD2 12 ATOM 16972 H HE1 . HIS A 1 16 ? -5.447 11.915 5.993 1.00 0.00 ? 16 HIS A HE1 12 ATOM 16973 H HE2 . HIS A 1 16 ? -3.393 11.418 4.622 1.00 0.00 ? 16 HIS A HE2 12 ATOM 16974 N N . GLN A 1 17 ? -7.547 7.343 0.202 1.00 0.00 ? 17 GLN A N 12 ATOM 16975 C CA . GLN A 1 17 ? -8.462 6.471 -0.526 1.00 0.00 ? 17 GLN A CA 12 ATOM 16976 C C . GLN A 1 17 ? -7.725 5.266 -1.100 1.00 0.00 ? 17 GLN A C 12 ATOM 16977 O O . GLN A 1 17 ? -8.318 4.209 -1.313 1.00 0.00 ? 17 GLN A O 12 ATOM 16978 C CB . GLN A 1 17 ? -9.151 7.246 -1.651 1.00 0.00 ? 17 GLN A CB 12 ATOM 16979 C CG . GLN A 1 17 ? -8.314 7.356 -2.915 1.00 0.00 ? 17 GLN A CG 12 ATOM 16980 C CD . GLN A 1 17 ? -9.079 7.970 -4.070 1.00 0.00 ? 17 GLN A CD 12 ATOM 16981 O OE1 . GLN A 1 17 ? -10.123 7.461 -4.479 1.00 0.00 ? 17 GLN A OE1 12 ATOM 16982 N NE2 . GLN A 1 17 ? -8.563 9.072 -4.604 1.00 0.00 ? 17 GLN A NE2 12 ATOM 16983 H H . GLN A 1 17 ? -7.494 8.290 -0.040 1.00 0.00 ? 17 GLN A H 12 ATOM 16984 H HA . GLN A 1 17 ? -9.210 6.123 0.169 1.00 0.00 ? 17 GLN A HA 12 ATOM 16985 H HB2 . GLN A 1 17 ? -10.076 6.749 -1.900 1.00 0.00 ? 17 GLN A HB2 12 ATOM 16986 H HB3 . GLN A 1 17 ? -9.369 8.245 -1.303 1.00 0.00 ? 17 GLN A HB3 12 ATOM 16987 H HG2 . GLN A 1 17 ? -7.450 7.971 -2.708 1.00 0.00 ? 17 GLN A HG2 12 ATOM 16988 H HG3 . GLN A 1 17 ? -7.989 6.367 -3.203 1.00 0.00 ? 17 GLN A HG3 12 ATOM 16989 H HE21 . GLN A 1 17 ? -7.727 9.420 -4.227 1.00 0.00 ? 17 GLN A HE21 12 ATOM 16990 H HE22 . GLN A 1 17 ? -9.036 9.489 -5.352 1.00 0.00 ? 17 GLN A HE22 12 ATOM 16991 N N . GLN A 1 18 ? -6.430 5.433 -1.349 1.00 0.00 ? 18 GLN A N 12 ATOM 16992 C CA . GLN A 1 18 ? -5.613 4.358 -1.899 1.00 0.00 ? 18 GLN A CA 12 ATOM 16993 C C . GLN A 1 18 ? -5.006 3.511 -0.786 1.00 0.00 ? 18 GLN A C 12 ATOM 16994 O O . GLN A 1 18 ? -5.151 2.289 -0.772 1.00 0.00 ? 18 GLN A O 12 ATOM 16995 C CB . GLN A 1 18 ? -4.504 4.933 -2.782 1.00 0.00 ? 18 GLN A CB 12 ATOM 16996 C CG . GLN A 1 18 ? -4.998 5.956 -3.791 1.00 0.00 ? 18 GLN A CG 12 ATOM 16997 C CD . GLN A 1 18 ? -4.145 6.000 -5.044 1.00 0.00 ? 18 GLN A CD 12 ATOM 16998 O OE1 . GLN A 1 18 ? -3.269 6.855 -5.182 1.00 0.00 ? 18 GLN A OE1 12 ATOM 16999 N NE2 . GLN A 1 18 ? -4.396 5.077 -5.964 1.00 0.00 ? 18 GLN A NE2 12 ATOM 17000 H H . GLN A 1 18 ? -6.015 6.299 -1.158 1.00 0.00 ? 18 GLN A H 12 ATOM 17001 H HA . GLN A 1 18 ? -6.252 3.732 -2.502 1.00 0.00 ? 18 GLN A HA 12 ATOM 17002 H HB2 . GLN A 1 18 ? -3.768 5.408 -2.151 1.00 0.00 ? 18 GLN A HB2 12 ATOM 17003 H HB3 . GLN A 1 18 ? -4.035 4.124 -3.322 1.00 0.00 ? 18 GLN A HB3 12 ATOM 17004 H HG2 . GLN A 1 18 ? -6.010 5.705 -4.073 1.00 0.00 ? 18 GLN A HG2 12 ATOM 17005 H HG3 . GLN A 1 18 ? -4.986 6.933 -3.330 1.00 0.00 ? 18 GLN A HG3 12 ATOM 17006 H HE21 . GLN A 1 18 ? -5.110 4.428 -5.786 1.00 0.00 ? 18 GLN A HE21 12 ATOM 17007 H HE22 . GLN A 1 18 ? -3.860 5.082 -6.783 1.00 0.00 ? 18 GLN A HE22 12 ATOM 17008 N N . SER A 1 19 ? -4.324 4.169 0.147 1.00 0.00 ? 19 SER A N 12 ATOM 17009 C CA . SER A 1 19 ? -3.690 3.476 1.262 1.00 0.00 ? 19 SER A CA 12 ATOM 17010 C C . SER A 1 19 ? -4.673 2.525 1.940 1.00 0.00 ? 19 SER A C 12 ATOM 17011 O O . SER A 1 19 ? -4.301 1.433 2.369 1.00 0.00 ? 19 SER A O 12 ATOM 17012 C CB . SER A 1 19 ? -3.156 4.485 2.280 1.00 0.00 ? 19 SER A CB 12 ATOM 17013 O OG . SER A 1 19 ? -2.533 3.829 3.370 1.00 0.00 ? 19 SER A OG 12 ATOM 17014 H H . SER A 1 19 ? -4.243 5.144 0.081 1.00 0.00 ? 19 SER A H 12 ATOM 17015 H HA . SER A 1 19 ? -2.865 2.901 0.870 1.00 0.00 ? 19 SER A HA 12 ATOM 17016 H HB2 . SER A 1 19 ? -2.432 5.127 1.801 1.00 0.00 ? 19 SER A HB2 12 ATOM 17017 H HB3 . SER A 1 19 ? -3.975 5.082 2.655 1.00 0.00 ? 19 SER A HB3 12 ATOM 17018 H HG . SER A 1 19 ? -2.909 2.952 3.474 1.00 0.00 ? 19 SER A HG 12 ATOM 17019 N N . ARG A 1 20 ? -5.929 2.949 2.031 1.00 0.00 ? 20 ARG A N 12 ATOM 17020 C CA . ARG A 1 20 ? -6.966 2.138 2.657 1.00 0.00 ? 20 ARG A CA 12 ATOM 17021 C C . ARG A 1 20 ? -7.173 0.835 1.890 1.00 0.00 ? 20 ARG A C 12 ATOM 17022 O O . ARG A 1 20 ? -7.442 -0.210 2.483 1.00 0.00 ? 20 ARG A O 12 ATOM 17023 C CB . ARG A 1 20 ? -8.281 2.916 2.726 1.00 0.00 ? 20 ARG A CB 12 ATOM 17024 C CG . ARG A 1 20 ? -8.861 3.255 1.362 1.00 0.00 ? 20 ARG A CG 12 ATOM 17025 C CD . ARG A 1 20 ? -10.255 3.850 1.481 1.00 0.00 ? 20 ARG A CD 12 ATOM 17026 N NE . ARG A 1 20 ? -10.243 5.139 2.167 1.00 0.00 ? 20 ARG A NE 12 ATOM 17027 C CZ . ARG A 1 20 ? -11.313 5.674 2.745 1.00 0.00 ? 20 ARG A CZ 12 ATOM 17028 N NH1 . ARG A 1 20 ? -12.473 5.033 2.721 1.00 0.00 ? 20 ARG A NH1 12 ATOM 17029 N NH2 . ARG A 1 20 ? -11.222 6.852 3.350 1.00 0.00 ? 20 ARG A NH2 12 ATOM 17030 H H . ARG A 1 20 ? -6.164 3.830 1.670 1.00 0.00 ? 20 ARG A H 12 ATOM 17031 H HA . ARG A 1 20 ? -6.644 1.904 3.661 1.00 0.00 ? 20 ARG A HA 12 ATOM 17032 H HB2 . ARG A 1 20 ? -9.008 2.326 3.265 1.00 0.00 ? 20 ARG A HB2 12 ATOM 17033 H HB3 . ARG A 1 20 ? -8.111 3.839 3.260 1.00 0.00 ? 20 ARG A HB3 12 ATOM 17034 H HG2 . ARG A 1 20 ? -8.216 3.972 0.875 1.00 0.00 ? 20 ARG A HG2 12 ATOM 17035 H HG3 . ARG A 1 20 ? -8.912 2.353 0.770 1.00 0.00 ? 20 ARG A HG3 12 ATOM 17036 H HD2 . ARG A 1 20 ? -10.660 3.984 0.489 1.00 0.00 ? 20 ARG A HD2 12 ATOM 17037 H HD3 . ARG A 1 20 ? -10.878 3.164 2.035 1.00 0.00 ? 20 ARG A HD3 12 ATOM 17038 H HE . ARG A 1 20 ? -9.396 5.629 2.197 1.00 0.00 ? 20 ARG A HE 12 ATOM 17039 H HH11 . ARG A 1 20 ? -12.544 4.145 2.267 1.00 0.00 ? 20 ARG A HH11 12 ATOM 17040 H HH12 . ARG A 1 20 ? -13.277 5.438 3.158 1.00 0.00 ? 20 ARG A HH12 12 ATOM 17041 H HH21 . ARG A 1 20 ? -10.349 7.337 3.370 1.00 0.00 ? 20 ARG A HH21 12 ATOM 17042 H HH22 . ARG A 1 20 ? -12.028 7.253 3.784 1.00 0.00 ? 20 ARG A HH22 12 ATOM 17043 N N . ARG A 1 21 ? -7.047 0.905 0.569 1.00 0.00 ? 21 ARG A N 12 ATOM 17044 C CA . ARG A 1 21 ? -7.223 -0.268 -0.279 1.00 0.00 ? 21 ARG A CA 12 ATOM 17045 C C . ARG A 1 21 ? -6.151 -1.314 0.013 1.00 0.00 ? 21 ARG A C 12 ATOM 17046 O O . ARG A 1 21 ? -6.454 -2.493 0.196 1.00 0.00 ? 21 ARG A O 12 ATOM 17047 C CB . ARG A 1 21 ? -7.172 0.131 -1.755 1.00 0.00 ? 21 ARG A CB 12 ATOM 17048 C CG . ARG A 1 21 ? -7.120 -1.054 -2.705 1.00 0.00 ? 21 ARG A CG 12 ATOM 17049 C CD . ARG A 1 21 ? -7.486 -0.647 -4.123 1.00 0.00 ? 21 ARG A CD 12 ATOM 17050 N NE . ARG A 1 21 ? -7.562 -1.798 -5.020 1.00 0.00 ? 21 ARG A NE 12 ATOM 17051 C CZ . ARG A 1 21 ? -7.979 -1.722 -6.279 1.00 0.00 ? 21 ARG A CZ 12 ATOM 17052 N NH1 . ARG A 1 21 ? -8.354 -0.556 -6.788 1.00 0.00 ? 21 ARG A NH1 12 ATOM 17053 N NH2 . ARG A 1 21 ? -8.020 -2.813 -7.032 1.00 0.00 ? 21 ARG A NH2 12 ATOM 17054 H H . ARG A 1 21 ? -6.832 1.767 0.154 1.00 0.00 ? 21 ARG A H 12 ATOM 17055 H HA . ARG A 1 21 ? -8.192 -0.692 -0.062 1.00 0.00 ? 21 ARG A HA 12 ATOM 17056 H HB2 . ARG A 1 21 ? -8.052 0.713 -1.989 1.00 0.00 ? 21 ARG A HB2 12 ATOM 17057 H HB3 . ARG A 1 21 ? -6.295 0.738 -1.921 1.00 0.00 ? 21 ARG A HB3 12 ATOM 17058 H HG2 . ARG A 1 21 ? -6.119 -1.459 -2.705 1.00 0.00 ? 21 ARG A HG2 12 ATOM 17059 H HG3 . ARG A 1 21 ? -7.815 -1.807 -2.364 1.00 0.00 ? 21 ARG A HG3 12 ATOM 17060 H HD2 . ARG A 1 21 ? -8.446 -0.153 -4.106 1.00 0.00 ? 21 ARG A HD2 12 ATOM 17061 H HD3 . ARG A 1 21 ? -6.736 0.036 -4.492 1.00 0.00 ? 21 ARG A HD3 12 ATOM 17062 H HE . ARG A 1 21 ? -7.290 -2.669 -4.665 1.00 0.00 ? 21 ARG A HE 12 ATOM 17063 H HH11 . ARG A 1 21 ? -8.323 0.268 -6.223 1.00 0.00 ? 21 ARG A HH11 12 ATOM 17064 H HH12 . ARG A 1 21 ? -8.666 -0.502 -7.736 1.00 0.00 ? 21 ARG A HH12 12 ATOM 17065 H HH21 . ARG A 1 21 ? -7.738 -3.694 -6.653 1.00 0.00 ? 21 ARG A HH21 12 ATOM 17066 H HH22 . ARG A 1 21 ? -8.333 -2.755 -7.980 1.00 0.00 ? 21 ARG A HH22 12 ATOM 17067 N N . ALA A 1 22 ? -4.898 -0.875 0.055 1.00 0.00 ? 22 ALA A N 12 ATOM 17068 C CA . ALA A 1 22 ? -3.782 -1.773 0.326 1.00 0.00 ? 22 ALA A CA 12 ATOM 17069 C C . ALA A 1 22 ? -4.082 -2.678 1.516 1.00 0.00 ? 22 ALA A C 12 ATOM 17070 O O . ALA A 1 22 ? -3.873 -3.889 1.455 1.00 0.00 ? 22 ALA A O 12 ATOM 17071 C CB . ALA A 1 22 ? -2.511 -0.975 0.574 1.00 0.00 ? 22 ALA A CB 12 ATOM 17072 H H . ALA A 1 22 ? -4.720 0.076 -0.099 1.00 0.00 ? 22 ALA A H 12 ATOM 17073 H HA . ALA A 1 22 ? -3.627 -2.386 -0.550 1.00 0.00 ? 22 ALA A HA 12 ATOM 17074 H HB1 . ALA A 1 22 ? -2.431 -0.745 1.627 1.00 0.00 ? 22 ALA A HB1 12 ATOM 17075 H HB2 . ALA A 1 22 ? -1.655 -1.556 0.266 1.00 0.00 ? 22 ALA A HB2 12 ATOM 17076 H HB3 . ALA A 1 22 ? -2.546 -0.057 0.007 1.00 0.00 ? 22 ALA A HB3 12 ATOM 17077 N N . ASP A 1 23 ? -4.572 -2.082 2.597 1.00 0.00 ? 23 ASP A N 12 ATOM 17078 C CA . ASP A 1 23 ? -4.901 -2.834 3.802 1.00 0.00 ? 23 ASP A CA 12 ATOM 17079 C C . ASP A 1 23 ? -5.870 -3.969 3.486 1.00 0.00 ? 23 ASP A C 12 ATOM 17080 O O . ASP A 1 23 ? -5.555 -5.142 3.688 1.00 0.00 ? 23 ASP A O 12 ATOM 17081 C CB . ASP A 1 23 ? -5.507 -1.909 4.858 1.00 0.00 ? 23 ASP A CB 12 ATOM 17082 C CG . ASP A 1 23 ? -6.174 -2.673 5.984 1.00 0.00 ? 23 ASP A CG 12 ATOM 17083 O OD1 . ASP A 1 23 ? -5.450 -3.210 6.848 1.00 0.00 ? 23 ASP A OD1 12 ATOM 17084 O OD2 . ASP A 1 23 ? -7.421 -2.734 6.002 1.00 0.00 ? 23 ASP A OD2 12 ATOM 17085 H H . ASP A 1 23 ? -4.716 -1.112 2.585 1.00 0.00 ? 23 ASP A H 12 ATOM 17086 H HA . ASP A 1 23 ? -3.986 -3.257 4.190 1.00 0.00 ? 23 ASP A HA 12 ATOM 17087 H HB2 . ASP A 1 23 ? -4.725 -1.294 5.280 1.00 0.00 ? 23 ASP A HB2 12 ATOM 17088 H HB3 . ASP A 1 23 ? -6.245 -1.274 4.390 1.00 0.00 ? 23 ASP A HB3 12 ATOM 17089 N N . ARG A 1 24 ? -7.051 -3.612 2.991 1.00 0.00 ? 24 ARG A N 12 ATOM 17090 C CA . ARG A 1 24 ? -8.067 -4.599 2.650 1.00 0.00 ? 24 ARG A CA 12 ATOM 17091 C C . ARG A 1 24 ? -7.489 -5.683 1.744 1.00 0.00 ? 24 ARG A C 12 ATOM 17092 O O . ARG A 1 24 ? -7.895 -6.844 1.810 1.00 0.00 ? 24 ARG A O 12 ATOM 17093 C CB . ARG A 1 24 ? -9.254 -3.924 1.961 1.00 0.00 ? 24 ARG A CB 12 ATOM 17094 C CG . ARG A 1 24 ? -10.321 -3.436 2.927 1.00 0.00 ? 24 ARG A CG 12 ATOM 17095 C CD . ARG A 1 24 ? -11.326 -4.532 3.248 1.00 0.00 ? 24 ARG A CD 12 ATOM 17096 N NE . ARG A 1 24 ? -12.493 -4.014 3.956 1.00 0.00 ? 24 ARG A NE 12 ATOM 17097 C CZ . ARG A 1 24 ? -13.489 -4.779 4.389 1.00 0.00 ? 24 ARG A CZ 12 ATOM 17098 N NH1 . ARG A 1 24 ? -13.459 -6.089 4.188 1.00 0.00 ? 24 ARG A NH1 12 ATOM 17099 N NH2 . ARG A 1 24 ? -14.518 -4.233 5.025 1.00 0.00 ? 24 ARG A NH2 12 ATOM 17100 H H . ARG A 1 24 ? -7.243 -2.660 2.853 1.00 0.00 ? 24 ARG A H 12 ATOM 17101 H HA . ARG A 1 24 ? -8.407 -5.057 3.567 1.00 0.00 ? 24 ARG A HA 12 ATOM 17102 H HB2 . ARG A 1 24 ? -8.894 -3.075 1.398 1.00 0.00 ? 24 ARG A HB2 12 ATOM 17103 H HB3 . ARG A 1 24 ? -9.710 -4.629 1.282 1.00 0.00 ? 24 ARG A HB3 12 ATOM 17104 H HG2 . ARG A 1 24 ? -9.846 -3.119 3.844 1.00 0.00 ? 24 ARG A HG2 12 ATOM 17105 H HG3 . ARG A 1 24 ? -10.842 -2.601 2.482 1.00 0.00 ? 24 ARG A HG3 12 ATOM 17106 H HD2 . ARG A 1 24 ? -11.649 -4.987 2.324 1.00 0.00 ? 24 ARG A HD2 12 ATOM 17107 H HD3 . ARG A 1 24 ? -10.842 -5.274 3.865 1.00 0.00 ? 24 ARG A HD3 12 ATOM 17108 H HE . ARG A 1 24 ? -12.536 -3.048 4.115 1.00 0.00 ? 24 ARG A HE 12 ATOM 17109 H HH11 . ARG A 1 24 ? -12.684 -6.503 3.710 1.00 0.00 ? 24 ARG A HH11 12 ATOM 17110 H HH12 . ARG A 1 24 ? -14.209 -6.663 4.517 1.00 0.00 ? 24 ARG A HH12 12 ATOM 17111 H HH21 . ARG A 1 24 ? -14.544 -3.246 5.179 1.00 0.00 ? 24 ARG A HH21 12 ATOM 17112 H HH22 . ARG A 1 24 ? -15.267 -4.810 5.351 1.00 0.00 ? 24 ARG A HH22 12 ATOM 17113 N N . LEU A 1 25 ? -6.541 -5.296 0.898 1.00 0.00 ? 25 LEU A N 12 ATOM 17114 C CA . LEU A 1 25 ? -5.907 -6.234 -0.022 1.00 0.00 ? 25 LEU A CA 12 ATOM 17115 C C . LEU A 1 25 ? -4.957 -7.168 0.720 1.00 0.00 ? 25 LEU A C 12 ATOM 17116 O O . LEU A 1 25 ? -4.828 -8.343 0.375 1.00 0.00 ? 25 LEU A O 12 ATOM 17117 C CB . LEU A 1 25 ? -5.147 -5.475 -1.112 1.00 0.00 ? 25 LEU A CB 12 ATOM 17118 C CG . LEU A 1 25 ? -5.975 -5.013 -2.311 1.00 0.00 ? 25 LEU A CG 12 ATOM 17119 C CD1 . LEU A 1 25 ? -5.181 -4.035 -3.163 1.00 0.00 ? 25 LEU A CD1 12 ATOM 17120 C CD2 . LEU A 1 25 ? -6.422 -6.207 -3.142 1.00 0.00 ? 25 LEU A CD2 12 ATOM 17121 H H . LEU A 1 25 ? -6.260 -4.358 0.891 1.00 0.00 ? 25 LEU A H 12 ATOM 17122 H HA . LEU A 1 25 ? -6.686 -6.824 -0.483 1.00 0.00 ? 25 LEU A HA 12 ATOM 17123 H HB2 . LEU A 1 25 ? -4.705 -4.601 -0.658 1.00 0.00 ? 25 LEU A HB2 12 ATOM 17124 H HB3 . LEU A 1 25 ? -4.363 -6.123 -1.479 1.00 0.00 ? 25 LEU A HB3 12 ATOM 17125 H HG . LEU A 1 25 ? -6.859 -4.503 -1.954 1.00 0.00 ? 25 LEU A HG 12 ATOM 17126 H HD11 . LEU A 1 25 ? -5.764 -3.755 -4.027 1.00 0.00 ? 25 LEU A HD11 12 ATOM 17127 H HD12 . LEU A 1 25 ? -4.262 -4.502 -3.484 1.00 0.00 ? 25 LEU A HD12 12 ATOM 17128 H HD13 . LEU A 1 25 ? -4.953 -3.154 -2.581 1.00 0.00 ? 25 LEU A HD13 12 ATOM 17129 H HD21 . LEU A 1 25 ? -5.877 -6.220 -4.074 1.00 0.00 ? 25 LEU A HD21 12 ATOM 17130 H HD22 . LEU A 1 25 ? -7.481 -6.128 -3.345 1.00 0.00 ? 25 LEU A HD22 12 ATOM 17131 H HD23 . LEU A 1 25 ? -6.227 -7.118 -2.597 1.00 0.00 ? 25 LEU A HD23 12 ATOM 17132 N N . LEU A 1 26 ? -4.296 -6.638 1.744 1.00 0.00 ? 26 LEU A N 12 ATOM 17133 C CA . LEU A 1 26 ? -3.358 -7.425 2.538 1.00 0.00 ? 26 LEU A CA 12 ATOM 17134 C C . LEU A 1 26 ? -4.090 -8.499 3.337 1.00 0.00 ? 26 LEU A C 12 ATOM 17135 O O . LEU A 1 26 ? -3.553 -9.580 3.579 1.00 0.00 ? 26 LEU A O 12 ATOM 17136 C CB . LEU A 1 26 ? -2.573 -6.516 3.484 1.00 0.00 ? 26 LEU A CB 12 ATOM 17137 C CG . LEU A 1 26 ? -2.036 -7.174 4.756 1.00 0.00 ? 26 LEU A CG 12 ATOM 17138 C CD1 . LEU A 1 26 ? -0.976 -8.209 4.415 1.00 0.00 ? 26 LEU A CD1 12 ATOM 17139 C CD2 . LEU A 1 26 ? -1.474 -6.123 5.703 1.00 0.00 ? 26 LEU A CD2 12 ATOM 17140 H H . LEU A 1 26 ? -4.440 -5.696 1.971 1.00 0.00 ? 26 LEU A H 12 ATOM 17141 H HA . LEU A 1 26 ? -2.670 -7.905 1.859 1.00 0.00 ? 26 LEU A HA 12 ATOM 17142 H HB2 . LEU A 1 26 ? -1.731 -6.118 2.938 1.00 0.00 ? 26 LEU A HB2 12 ATOM 17143 H HB3 . LEU A 1 26 ? -3.224 -5.705 3.779 1.00 0.00 ? 26 LEU A HB3 12 ATOM 17144 H HG . LEU A 1 26 ? -2.847 -7.681 5.261 1.00 0.00 ? 26 LEU A HG 12 ATOM 17145 H HD11 . LEU A 1 26 ? -1.258 -8.729 3.512 1.00 0.00 ? 26 LEU A HD11 12 ATOM 17146 H HD12 . LEU A 1 26 ? -0.889 -8.916 5.226 1.00 0.00 ? 26 LEU A HD12 12 ATOM 17147 H HD13 . LEU A 1 26 ? -0.026 -7.715 4.265 1.00 0.00 ? 26 LEU A HD13 12 ATOM 17148 H HD21 . LEU A 1 26 ? -0.708 -6.570 6.321 1.00 0.00 ? 26 LEU A HD21 12 ATOM 17149 H HD22 . LEU A 1 26 ? -2.267 -5.744 6.331 1.00 0.00 ? 26 LEU A HD22 12 ATOM 17150 H HD23 . LEU A 1 26 ? -1.048 -5.313 5.130 1.00 0.00 ? 26 LEU A HD23 12 ATOM 17151 N N . ALA A 1 27 ? -5.318 -8.194 3.743 1.00 0.00 ? 27 ALA A N 12 ATOM 17152 C CA . ALA A 1 27 ? -6.125 -9.134 4.510 1.00 0.00 ? 27 ALA A CA 12 ATOM 17153 C C . ALA A 1 27 ? -6.532 -10.332 3.658 1.00 0.00 ? 27 ALA A C 12 ATOM 17154 O O . ALA A 1 27 ? -6.668 -11.446 4.162 1.00 0.00 ? 27 ALA A O 12 ATOM 17155 C CB . ALA A 1 27 ? -7.357 -8.439 5.070 1.00 0.00 ? 27 ALA A CB 12 ATOM 17156 H H . ALA A 1 27 ? -5.691 -7.316 3.519 1.00 0.00 ? 27 ALA A H 12 ATOM 17157 H HA . ALA A 1 27 ? -5.529 -9.483 5.342 1.00 0.00 ? 27 ALA A HA 12 ATOM 17158 H HB1 . ALA A 1 27 ? -7.466 -7.471 4.603 1.00 0.00 ? 27 ALA A HB1 12 ATOM 17159 H HB2 . ALA A 1 27 ? -8.232 -9.038 4.867 1.00 0.00 ? 27 ALA A HB2 12 ATOM 17160 H HB3 . ALA A 1 27 ? -7.246 -8.313 6.137 1.00 0.00 ? 27 ALA A HB3 12 ATOM 17161 N N . ALA A 1 28 ? -6.726 -10.093 2.365 1.00 0.00 ? 28 ALA A N 12 ATOM 17162 C CA . ALA A 1 28 ? -7.116 -11.152 1.443 1.00 0.00 ? 28 ALA A CA 12 ATOM 17163 C C . ALA A 1 28 ? -5.893 -11.816 0.819 1.00 0.00 ? 28 ALA A C 12 ATOM 17164 O O . ALA A 1 28 ? -5.990 -12.467 -0.220 1.00 0.00 ? 28 ALA A O 12 ATOM 17165 C CB . ALA A 1 28 ? -8.029 -10.599 0.359 1.00 0.00 ? 28 ALA A CB 12 ATOM 17166 H H . ALA A 1 28 ? -6.602 -9.183 2.023 1.00 0.00 ? 28 ALA A H 12 ATOM 17167 H HA . ALA A 1 28 ? -7.670 -11.894 2.002 1.00 0.00 ? 28 ALA A HA 12 ATOM 17168 H HB1 . ALA A 1 28 ? -7.552 -9.752 -0.114 1.00 0.00 ? 28 ALA A HB1 12 ATOM 17169 H HB2 . ALA A 1 28 ? -8.218 -11.364 -0.378 1.00 0.00 ? 28 ALA A HB2 12 ATOM 17170 H HB3 . ALA A 1 28 ? -8.963 -10.285 0.801 1.00 0.00 ? 28 ALA A HB3 12 ATOM 17171 N N . GLY A 1 29 ? -4.741 -11.646 1.461 1.00 0.00 ? 29 GLY A N 12 ATOM 17172 C CA . GLY A 1 29 ? -3.515 -12.234 0.954 1.00 0.00 ? 29 GLY A CA 12 ATOM 17173 C C . GLY A 1 29 ? -3.045 -11.576 -0.328 1.00 0.00 ? 29 GLY A C 12 ATOM 17174 O O . GLY A 1 29 ? -2.122 -12.063 -0.983 1.00 0.00 ? 29 GLY A O 12 ATOM 17175 H H . GLY A 1 29 ? -4.724 -11.117 2.286 1.00 0.00 ? 29 GLY A H 12 ATOM 17176 H HA2 . GLY A 1 29 ? -2.744 -12.133 1.702 1.00 0.00 ? 29 GLY A HA2 12 ATOM 17177 H HA3 . GLY A 1 29 ? -3.685 -13.284 0.765 1.00 0.00 ? 29 GLY A HA3 12 ATOM 17178 N N . LYS A 1 30 ? -3.680 -10.466 -0.690 1.00 0.00 ? 30 LYS A N 12 ATOM 17179 C CA . LYS A 1 30 ? -3.322 -9.740 -1.902 1.00 0.00 ? 30 LYS A CA 12 ATOM 17180 C C . LYS A 1 30 ? -2.151 -8.797 -1.646 1.00 0.00 ? 30 LYS A C 12 ATOM 17181 O O . LYS A 1 30 ? -2.277 -7.581 -1.790 1.00 0.00 ? 30 LYS A O 12 ATOM 17182 C CB . LYS A 1 30 ? -4.524 -8.948 -2.421 1.00 0.00 ? 30 LYS A CB 12 ATOM 17183 C CG . LYS A 1 30 ? -5.822 -9.737 -2.412 1.00 0.00 ? 30 LYS A CG 12 ATOM 17184 C CD . LYS A 1 30 ? -6.039 -10.468 -3.727 1.00 0.00 ? 30 LYS A CD 12 ATOM 17185 C CE . LYS A 1 30 ? -6.813 -9.612 -4.719 1.00 0.00 ? 30 LYS A CE 12 ATOM 17186 N NZ . LYS A 1 30 ? -6.650 -10.099 -6.117 1.00 0.00 ? 30 LYS A NZ 12 ATOM 17187 H H . LYS A 1 30 ? -4.407 -10.127 -0.127 1.00 0.00 ? 30 LYS A H 12 ATOM 17188 H HA . LYS A 1 30 ? -3.029 -10.463 -2.648 1.00 0.00 ? 30 LYS A HA 12 ATOM 17189 H HB2 . LYS A 1 30 ? -4.656 -8.072 -1.803 1.00 0.00 ? 30 LYS A HB2 12 ATOM 17190 H HB3 . LYS A 1 30 ? -4.324 -8.635 -3.436 1.00 0.00 ? 30 LYS A HB3 12 ATOM 17191 H HG2 . LYS A 1 30 ? -5.787 -10.461 -1.612 1.00 0.00 ? 30 LYS A HG2 12 ATOM 17192 H HG3 . LYS A 1 30 ? -6.645 -9.056 -2.249 1.00 0.00 ? 30 LYS A HG3 12 ATOM 17193 H HD2 . LYS A 1 30 ? -5.078 -10.714 -4.155 1.00 0.00 ? 30 LYS A HD2 12 ATOM 17194 H HD3 . LYS A 1 30 ? -6.594 -11.375 -3.537 1.00 0.00 ? 30 LYS A HD3 12 ATOM 17195 H HE2 . LYS A 1 30 ? -7.859 -9.639 -4.457 1.00 0.00 ? 30 LYS A HE2 12 ATOM 17196 H HE3 . LYS A 1 30 ? -6.452 -8.596 -4.656 1.00 0.00 ? 30 LYS A HE3 12 ATOM 17197 H HZ1 . LYS A 1 30 ? -7.457 -9.794 -6.697 1.00 0.00 ? 30 LYS A HZ1 12 ATOM 17198 H HZ2 . LYS A 1 30 ? -6.601 -11.138 -6.130 1.00 0.00 ? 30 LYS A HZ2 12 ATOM 17199 H HZ3 . LYS A 1 30 ? -5.775 -9.717 -6.529 1.00 0.00 ? 30 LYS A HZ3 12 ATOM 17200 N N . TYR A 1 31 ? -1.012 -9.365 -1.267 1.00 0.00 ? 31 TYR A N 12 ATOM 17201 C CA . TYR A 1 31 ? 0.182 -8.575 -0.990 1.00 0.00 ? 31 TYR A CA 12 ATOM 17202 C C . TYR A 1 31 ? 0.550 -7.705 -2.188 1.00 0.00 ? 31 TYR A C 12 ATOM 17203 O O . TYR A 1 31 ? 0.541 -6.478 -2.104 1.00 0.00 ? 31 TYR A O 12 ATOM 17204 C CB . TYR A 1 31 ? 1.354 -9.490 -0.631 1.00 0.00 ? 31 TYR A CB 12 ATOM 17205 C CG . TYR A 1 31 ? 1.138 -10.279 0.641 1.00 0.00 ? 31 TYR A CG 12 ATOM 17206 C CD1 . TYR A 1 31 ? 1.504 -9.757 1.875 1.00 0.00 ? 31 TYR A CD1 12 ATOM 17207 C CD2 . TYR A 1 31 ? 0.570 -11.547 0.608 1.00 0.00 ? 31 TYR A CD2 12 ATOM 17208 C CE1 . TYR A 1 31 ? 1.310 -10.475 3.040 1.00 0.00 ? 31 TYR A CE1 12 ATOM 17209 C CE2 . TYR A 1 31 ? 0.371 -12.270 1.768 1.00 0.00 ? 31 TYR A CE2 12 ATOM 17210 C CZ . TYR A 1 31 ? 0.742 -11.730 2.981 1.00 0.00 ? 31 TYR A CZ 12 ATOM 17211 O OH . TYR A 1 31 ? 0.547 -12.449 4.138 1.00 0.00 ? 31 TYR A OH 12 ATOM 17212 H H . TYR A 1 31 ? -0.972 -10.340 -1.170 1.00 0.00 ? 31 TYR A H 12 ATOM 17213 H HA . TYR A 1 31 ? -0.033 -7.934 -0.147 1.00 0.00 ? 31 TYR A HA 12 ATOM 17214 H HB2 . TYR A 1 31 ? 1.511 -10.194 -1.434 1.00 0.00 ? 31 TYR A HB2 12 ATOM 17215 H HB3 . TYR A 1 31 ? 2.244 -8.892 -0.504 1.00 0.00 ? 31 TYR A HB3 12 ATOM 17216 H HD1 . TYR A 1 31 ? 1.948 -8.773 1.919 1.00 0.00 ? 31 TYR A HD1 12 ATOM 17217 H HD2 . TYR A 1 31 ? 0.280 -11.967 -0.344 1.00 0.00 ? 31 TYR A HD2 12 ATOM 17218 H HE1 . TYR A 1 31 ? 1.601 -10.052 3.991 1.00 0.00 ? 31 TYR A HE1 12 ATOM 17219 H HE2 . TYR A 1 31 ? -0.073 -13.254 1.721 1.00 0.00 ? 31 TYR A HE2 12 ATOM 17220 H HH . TYR A 1 31 ? 1.397 -12.698 4.507 1.00 0.00 ? 31 TYR A HH 12 ATOM 17221 N N . GLU A 1 32 ? 0.873 -8.352 -3.304 1.00 0.00 ? 32 GLU A N 12 ATOM 17222 C CA . GLU A 1 32 ? 1.244 -7.639 -4.520 1.00 0.00 ? 32 GLU A CA 12 ATOM 17223 C C . GLU A 1 32 ? 0.236 -6.537 -4.834 1.00 0.00 ? 32 GLU A C 12 ATOM 17224 O O . GLU A 1 32 ? 0.592 -5.363 -4.921 1.00 0.00 ? 32 GLU A O 12 ATOM 17225 C CB . GLU A 1 32 ? 1.339 -8.610 -5.699 1.00 0.00 ? 32 GLU A CB 12 ATOM 17226 C CG . GLU A 1 32 ? 0.495 -9.861 -5.526 1.00 0.00 ? 32 GLU A CG 12 ATOM 17227 C CD . GLU A 1 32 ? 0.236 -10.576 -6.838 1.00 0.00 ? 32 GLU A CD 12 ATOM 17228 O OE1 . GLU A 1 32 ? 1.191 -10.727 -7.629 1.00 0.00 ? 32 GLU A OE1 12 ATOM 17229 O OE2 . GLU A 1 32 ? -0.921 -10.983 -7.075 1.00 0.00 ? 32 GLU A OE2 12 ATOM 17230 H H . GLU A 1 32 ? 0.862 -9.332 -3.309 1.00 0.00 ? 32 GLU A H 12 ATOM 17231 H HA . GLU A 1 32 ? 2.212 -7.189 -4.358 1.00 0.00 ? 32 GLU A HA 12 ATOM 17232 H HB2 . GLU A 1 32 ? 1.014 -8.102 -6.595 1.00 0.00 ? 32 GLU A HB2 12 ATOM 17233 H HB3 . GLU A 1 32 ? 2.369 -8.910 -5.820 1.00 0.00 ? 32 GLU A HB3 12 ATOM 17234 H HG2 . GLU A 1 32 ? 1.009 -10.538 -4.861 1.00 0.00 ? 32 GLU A HG2 12 ATOM 17235 H HG3 . GLU A 1 32 ? -0.454 -9.583 -5.091 1.00 0.00 ? 32 GLU A HG3 12 ATOM 17236 N N . GLU A 1 33 ? -1.024 -6.927 -5.003 1.00 0.00 ? 33 GLU A N 12 ATOM 17237 C CA . GLU A 1 33 ? -2.083 -5.973 -5.308 1.00 0.00 ? 33 GLU A CA 12 ATOM 17238 C C . GLU A 1 33 ? -1.891 -4.677 -4.525 1.00 0.00 ? 33 GLU A C 12 ATOM 17239 O O . GLU A 1 33 ? -2.192 -3.591 -5.019 1.00 0.00 ? 33 GLU A O 12 ATOM 17240 C CB . GLU A 1 33 ? -3.452 -6.577 -4.988 1.00 0.00 ? 33 GLU A CB 12 ATOM 17241 C CG . GLU A 1 33 ? -3.825 -7.748 -5.882 1.00 0.00 ? 33 GLU A CG 12 ATOM 17242 C CD . GLU A 1 33 ? -4.341 -7.305 -7.238 1.00 0.00 ? 33 GLU A CD 12 ATOM 17243 O OE1 . GLU A 1 33 ? -5.427 -6.691 -7.287 1.00 0.00 ? 33 GLU A OE1 12 ATOM 17244 O OE2 . GLU A 1 33 ? -3.658 -7.573 -8.249 1.00 0.00 ? 33 GLU A OE2 12 ATOM 17245 H H . GLU A 1 33 ? -1.246 -7.878 -4.921 1.00 0.00 ? 33 GLU A H 12 ATOM 17246 H HA . GLU A 1 33 ? -2.036 -5.752 -6.364 1.00 0.00 ? 33 GLU A HA 12 ATOM 17247 H HB2 . GLU A 1 33 ? -3.451 -6.919 -3.963 1.00 0.00 ? 33 GLU A HB2 12 ATOM 17248 H HB3 . GLU A 1 33 ? -4.205 -5.811 -5.101 1.00 0.00 ? 33 GLU A HB3 12 ATOM 17249 H HG2 . GLU A 1 33 ? -2.951 -8.364 -6.030 1.00 0.00 ? 33 GLU A HG2 12 ATOM 17250 H HG3 . GLU A 1 33 ? -4.594 -8.327 -5.392 1.00 0.00 ? 33 GLU A HG3 12 ATOM 17251 N N . ALA A 1 34 ? -1.389 -4.801 -3.301 1.00 0.00 ? 34 ALA A N 12 ATOM 17252 C CA . ALA A 1 34 ? -1.155 -3.641 -2.450 1.00 0.00 ? 34 ALA A CA 12 ATOM 17253 C C . ALA A 1 34 ? 0.180 -2.981 -2.777 1.00 0.00 ? 34 ALA A C 12 ATOM 17254 O O . ALA A 1 34 ? 0.279 -1.755 -2.834 1.00 0.00 ? 34 ALA A O 12 ATOM 17255 C CB . ALA A 1 34 ? -1.202 -4.045 -0.984 1.00 0.00 ? 34 ALA A CB 12 ATOM 17256 H H . ALA A 1 34 ? -1.169 -5.694 -2.963 1.00 0.00 ? 34 ALA A H 12 ATOM 17257 H HA . ALA A 1 34 ? -1.950 -2.931 -2.628 1.00 0.00 ? 34 ALA A HA 12 ATOM 17258 H HB1 . ALA A 1 34 ? -0.219 -3.934 -0.550 1.00 0.00 ? 34 ALA A HB1 12 ATOM 17259 H HB2 . ALA A 1 34 ? -1.901 -3.411 -0.459 1.00 0.00 ? 34 ALA A HB2 12 ATOM 17260 H HB3 . ALA A 1 34 ? -1.517 -5.074 -0.904 1.00 0.00 ? 34 ALA A HB3 12 ATOM 17261 N N . ILE A 1 35 ? 1.204 -3.801 -2.990 1.00 0.00 ? 35 ILE A N 12 ATOM 17262 C CA . ILE A 1 35 ? 2.532 -3.295 -3.311 1.00 0.00 ? 35 ILE A CA 12 ATOM 17263 C C . ILE A 1 35 ? 2.459 -2.174 -4.342 1.00 0.00 ? 35 ILE A C 12 ATOM 17264 O O . ILE A 1 35 ? 2.948 -1.068 -4.108 1.00 0.00 ? 35 ILE A O 12 ATOM 17265 C CB . ILE A 1 35 ? 3.445 -4.413 -3.849 1.00 0.00 ? 35 ILE A CB 12 ATOM 17266 C CG1 . ILE A 1 35 ? 3.593 -5.525 -2.809 1.00 0.00 ? 35 ILE A CG1 12 ATOM 17267 C CG2 . ILE A 1 35 ? 4.807 -3.849 -4.226 1.00 0.00 ? 35 ILE A CG2 12 ATOM 17268 C CD1 . ILE A 1 35 ? 4.331 -6.741 -3.324 1.00 0.00 ? 35 ILE A CD1 12 ATOM 17269 H H . ILE A 1 35 ? 1.062 -4.768 -2.931 1.00 0.00 ? 35 ILE A H 12 ATOM 17270 H HA . ILE A 1 35 ? 2.969 -2.906 -2.403 1.00 0.00 ? 35 ILE A HA 12 ATOM 17271 H HB . ILE A 1 35 ? 2.992 -4.820 -4.739 1.00 0.00 ? 35 ILE A HB 12 ATOM 17272 H HG12 . ILE A 1 35 ? 4.136 -5.145 -1.958 1.00 0.00 ? 35 ILE A HG12 12 ATOM 17273 H HG13 . ILE A 1 35 ? 2.610 -5.843 -2.490 1.00 0.00 ? 35 ILE A HG13 12 ATOM 17274 H HG21 . ILE A 1 35 ? 5.516 -4.066 -3.441 1.00 0.00 ? 35 ILE A HG21 12 ATOM 17275 H HG22 . ILE A 1 35 ? 5.142 -4.303 -5.147 1.00 0.00 ? 35 ILE A HG22 12 ATOM 17276 H HG23 . ILE A 1 35 ? 4.731 -2.780 -4.358 1.00 0.00 ? 35 ILE A HG23 12 ATOM 17277 H HD11 . ILE A 1 35 ? 3.879 -7.635 -2.920 1.00 0.00 ? 35 ILE A HD11 12 ATOM 17278 H HD12 . ILE A 1 35 ? 4.277 -6.765 -4.402 1.00 0.00 ? 35 ILE A HD12 12 ATOM 17279 H HD13 . ILE A 1 35 ? 5.365 -6.691 -3.017 1.00 0.00 ? 35 ILE A HD13 12 ATOM 17280 N N . SER A 1 36 ? 1.845 -2.466 -5.484 1.00 0.00 ? 36 SER A N 12 ATOM 17281 C CA . SER A 1 36 ? 1.709 -1.483 -6.553 1.00 0.00 ? 36 SER A CA 12 ATOM 17282 C C . SER A 1 36 ? 0.768 -0.357 -6.138 1.00 0.00 ? 36 SER A C 12 ATOM 17283 O O . SER A 1 36 ? 0.961 0.799 -6.516 1.00 0.00 ? 36 SER A O 12 ATOM 17284 C CB . SER A 1 36 ? 1.192 -2.153 -7.827 1.00 0.00 ? 36 SER A CB 12 ATOM 17285 O OG . SER A 1 36 ? -0.022 -2.843 -7.584 1.00 0.00 ? 36 SER A OG 12 ATOM 17286 H H . SER A 1 36 ? 1.476 -3.366 -5.611 1.00 0.00 ? 36 SER A H 12 ATOM 17287 H HA . SER A 1 36 ? 2.686 -1.067 -6.746 1.00 0.00 ? 36 SER A HA 12 ATOM 17288 H HB2 . SER A 1 36 ? 1.019 -1.400 -8.581 1.00 0.00 ? 36 SER A HB2 12 ATOM 17289 H HB3 . SER A 1 36 ? 1.928 -2.858 -8.184 1.00 0.00 ? 36 SER A HB3 12 ATOM 17290 H HG . SER A 1 36 ? -0.762 -2.299 -7.864 1.00 0.00 ? 36 SER A HG 12 ATOM 17291 N N . CYS A 1 37 ? -0.251 -0.703 -5.359 1.00 0.00 ? 37 CYS A N 12 ATOM 17292 C CA . CYS A 1 37 ? -1.225 0.279 -4.893 1.00 0.00 ? 37 CYS A CA 12 ATOM 17293 C C . CYS A 1 37 ? -0.533 1.432 -4.174 1.00 0.00 ? 37 CYS A C 12 ATOM 17294 O O . CYS A 1 37 ? -0.944 2.587 -4.292 1.00 0.00 ? 37 CYS A O 12 ATOM 17295 C CB . CYS A 1 37 ? -2.241 -0.383 -3.961 1.00 0.00 ? 37 CYS A CB 12 ATOM 17296 S SG . CYS A 1 37 ? -3.719 0.612 -3.654 1.00 0.00 ? 37 CYS A SG 12 ATOM 17297 H H . CYS A 1 37 ? -0.353 -1.640 -5.091 1.00 0.00 ? 37 CYS A H 12 ATOM 17298 H HA . CYS A 1 37 ? -1.742 0.668 -5.757 1.00 0.00 ? 37 CYS A HA 12 ATOM 17299 H HB2 . CYS A 1 37 ? -2.560 -1.319 -4.395 1.00 0.00 ? 37 CYS A HB2 12 ATOM 17300 H HB3 . CYS A 1 37 ? -1.770 -0.578 -3.008 1.00 0.00 ? 37 CYS A HB3 12 ATOM 17301 H HG . CYS A 1 37 ? -3.484 1.376 -2.598 1.00 0.00 ? 37 CYS A HG 12 ATOM 17302 N N . HIS A 1 38 ? 0.520 1.112 -3.429 1.00 0.00 ? 38 HIS A N 12 ATOM 17303 C CA . HIS A 1 38 ? 1.269 2.121 -2.690 1.00 0.00 ? 38 HIS A CA 12 ATOM 17304 C C . HIS A 1 38 ? 2.118 2.967 -3.634 1.00 0.00 ? 38 HIS A C 12 ATOM 17305 O O . HIS A 1 38 ? 2.196 4.187 -3.489 1.00 0.00 ? 38 HIS A O 12 ATOM 17306 C CB . HIS A 1 38 ? 2.161 1.458 -1.639 1.00 0.00 ? 38 HIS A CB 12 ATOM 17307 C CG . HIS A 1 38 ? 1.453 1.163 -0.353 1.00 0.00 ? 38 HIS A CG 12 ATOM 17308 N ND1 . HIS A 1 38 ? 0.566 2.039 0.236 1.00 0.00 ? 38 HIS A ND1 12 ATOM 17309 C CD2 . HIS A 1 38 ? 1.504 0.080 0.457 1.00 0.00 ? 38 HIS A CD2 12 ATOM 17310 C CE1 . HIS A 1 38 ? 0.104 1.509 1.354 1.00 0.00 ? 38 HIS A CE1 12 ATOM 17311 N NE2 . HIS A 1 38 ? 0.657 0.320 1.511 1.00 0.00 ? 38 HIS A NE2 12 ATOM 17312 H H . HIS A 1 38 ? 0.800 0.174 -3.375 1.00 0.00 ? 38 HIS A H 12 ATOM 17313 H HA . HIS A 1 38 ? 0.559 2.763 -2.192 1.00 0.00 ? 38 HIS A HA 12 ATOM 17314 H HB2 . HIS A 1 38 ? 2.536 0.524 -2.033 1.00 0.00 ? 38 HIS A HB2 12 ATOM 17315 H HB3 . HIS A 1 38 ? 2.993 2.111 -1.419 1.00 0.00 ? 38 HIS A HB3 12 ATOM 17316 H HD1 . HIS A 1 38 ? 0.315 2.919 -0.112 1.00 0.00 ? 38 HIS A HD1 12 ATOM 17317 H HD2 . HIS A 1 38 ? 2.101 -0.809 0.305 1.00 0.00 ? 38 HIS A HD2 12 ATOM 17318 H HE1 . HIS A 1 38 ? -0.606 1.968 2.026 1.00 0.00 ? 38 HIS A HE1 12 ATOM 17319 H HE2 . HIS A 1 38 ? 0.553 -0.251 2.301 1.00 0.00 ? 38 HIS A HE2 12 ATOM 17320 N N . ARG A 1 39 ? 2.753 2.311 -4.600 1.00 0.00 ? 39 ARG A N 12 ATOM 17321 C CA . ARG A 1 39 ? 3.598 3.003 -5.566 1.00 0.00 ? 39 ARG A CA 12 ATOM 17322 C C . ARG A 1 39 ? 2.829 4.129 -6.252 1.00 0.00 ? 39 ARG A C 12 ATOM 17323 O O . ARG A 1 39 ? 3.412 5.135 -6.659 1.00 0.00 ? 39 ARG A O 12 ATOM 17324 C CB . ARG A 1 39 ? 4.123 2.019 -6.612 1.00 0.00 ? 39 ARG A CB 12 ATOM 17325 C CG . ARG A 1 39 ? 4.875 0.840 -6.016 1.00 0.00 ? 39 ARG A CG 12 ATOM 17326 C CD . ARG A 1 39 ? 5.369 -0.109 -7.097 1.00 0.00 ? 39 ARG A CD 12 ATOM 17327 N NE . ARG A 1 39 ? 6.588 -0.808 -6.696 1.00 0.00 ? 39 ARG A NE 12 ATOM 17328 C CZ . ARG A 1 39 ? 7.447 -1.341 -7.558 1.00 0.00 ? 39 ARG A CZ 12 ATOM 17329 N NH1 . ARG A 1 39 ? 7.222 -1.255 -8.862 1.00 0.00 ? 39 ARG A NH1 12 ATOM 17330 N NH2 . ARG A 1 39 ? 8.534 -1.960 -7.116 1.00 0.00 ? 39 ARG A NH2 12 ATOM 17331 H H . ARG A 1 39 ? 2.652 1.339 -4.664 1.00 0.00 ? 39 ARG A H 12 ATOM 17332 H HA . ARG A 1 39 ? 4.434 3.427 -5.031 1.00 0.00 ? 39 ARG A HA 12 ATOM 17333 H HB2 . ARG A 1 39 ? 3.289 1.635 -7.180 1.00 0.00 ? 39 ARG A HB2 12 ATOM 17334 H HB3 . ARG A 1 39 ? 4.791 2.544 -7.279 1.00 0.00 ? 39 ARG A HB3 12 ATOM 17335 H HG2 . ARG A 1 39 ? 5.725 1.210 -5.461 1.00 0.00 ? 39 ARG A HG2 12 ATOM 17336 H HG3 . ARG A 1 39 ? 4.215 0.303 -5.352 1.00 0.00 ? 39 ARG A HG3 12 ATOM 17337 H HD2 . ARG A 1 39 ? 4.598 -0.838 -7.297 1.00 0.00 ? 39 ARG A HD2 12 ATOM 17338 H HD3 . ARG A 1 39 ? 5.569 0.459 -7.992 1.00 0.00 ? 39 ARG A HD3 12 ATOM 17339 H HE . ARG A 1 39 ? 6.774 -0.883 -5.737 1.00 0.00 ? 39 ARG A HE 12 ATOM 17340 H HH11 . ARG A 1 39 ? 6.404 -0.788 -9.197 1.00 0.00 ? 39 ARG A HH11 12 ATOM 17341 H HH12 . ARG A 1 39 ? 7.871 -1.656 -9.509 1.00 0.00 ? 39 ARG A HH12 12 ATOM 17342 H HH21 . ARG A 1 39 ? 8.707 -2.027 -6.134 1.00 0.00 ? 39 ARG A HH21 12 ATOM 17343 H HH22 . ARG A 1 39 ? 9.179 -2.361 -7.765 1.00 0.00 ? 39 ARG A HH22 12 ATOM 17344 N N . LYS A 1 40 ? 1.518 3.953 -6.377 1.00 0.00 ? 40 LYS A N 12 ATOM 17345 C CA . LYS A 1 40 ? 0.669 4.953 -7.012 1.00 0.00 ? 40 LYS A CA 12 ATOM 17346 C C . LYS A 1 40 ? 0.596 6.221 -6.167 1.00 0.00 ? 40 LYS A C 12 ATOM 17347 O O . LYS A 1 40 ? 0.893 7.315 -6.645 1.00 0.00 ? 40 LYS A O 12 ATOM 17348 C CB . LYS A 1 40 ? -0.738 4.392 -7.232 1.00 0.00 ? 40 LYS A CB 12 ATOM 17349 C CG . LYS A 1 40 ? -0.908 3.680 -8.563 1.00 0.00 ? 40 LYS A CG 12 ATOM 17350 C CD . LYS A 1 40 ? -0.450 2.233 -8.484 1.00 0.00 ? 40 LYS A CD 12 ATOM 17351 C CE . LYS A 1 40 ? -0.659 1.510 -9.806 1.00 0.00 ? 40 LYS A CE 12 ATOM 17352 N NZ . LYS A 1 40 ? -2.037 0.959 -9.925 1.00 0.00 ? 40 LYS A NZ 12 ATOM 17353 H H . LYS A 1 40 ? 1.112 3.130 -6.032 1.00 0.00 ? 40 LYS A H 12 ATOM 17354 H HA . LYS A 1 40 ? 1.103 5.198 -7.969 1.00 0.00 ? 40 LYS A HA 12 ATOM 17355 H HB2 . LYS A 1 40 ? -0.960 3.691 -6.441 1.00 0.00 ? 40 LYS A HB2 12 ATOM 17356 H HB3 . LYS A 1 40 ? -1.448 5.206 -7.190 1.00 0.00 ? 40 LYS A HB3 12 ATOM 17357 H HG2 . LYS A 1 40 ? -1.950 3.702 -8.842 1.00 0.00 ? 40 LYS A HG2 12 ATOM 17358 H HG3 . LYS A 1 40 ? -0.321 4.193 -9.312 1.00 0.00 ? 40 LYS A HG3 12 ATOM 17359 H HD2 . LYS A 1 40 ? 0.600 2.210 -8.236 1.00 0.00 ? 40 LYS A HD2 12 ATOM 17360 H HD3 . LYS A 1 40 ? -1.016 1.728 -7.714 1.00 0.00 ? 40 LYS A HD3 12 ATOM 17361 H HE2 . LYS A 1 40 ? -0.487 2.206 -10.613 1.00 0.00 ? 40 LYS A HE2 12 ATOM 17362 H HE3 . LYS A 1 40 ? 0.051 0.699 -9.873 1.00 0.00 ? 40 LYS A HE3 12 ATOM 17363 H HZ1 . LYS A 1 40 ? -2.520 1.002 -9.004 1.00 0.00 ? 40 LYS A HZ1 12 ATOM 17364 H HZ2 . LYS A 1 40 ? -2.000 -0.032 -10.238 1.00 0.00 ? 40 LYS A HZ2 12 ATOM 17365 H HZ3 . LYS A 1 40 ? -2.584 1.510 -10.617 1.00 0.00 ? 40 LYS A HZ3 12 ATOM 17366 N N . ALA A 1 41 ? 0.199 6.065 -4.908 1.00 0.00 ? 41 ALA A N 12 ATOM 17367 C CA . ALA A 1 41 ? 0.091 7.197 -3.996 1.00 0.00 ? 41 ALA A CA 12 ATOM 17368 C C . ALA A 1 41 ? 1.400 7.977 -3.930 1.00 0.00 ? 41 ALA A C 12 ATOM 17369 O O . ALA A 1 41 ? 1.417 9.197 -4.092 1.00 0.00 ? 41 ALA A O 12 ATOM 17370 C CB . ALA A 1 41 ? -0.312 6.720 -2.608 1.00 0.00 ? 41 ALA A CB 12 ATOM 17371 H H . ALA A 1 41 ? -0.024 5.168 -4.585 1.00 0.00 ? 41 ALA A H 12 ATOM 17372 H HA . ALA A 1 41 ? -0.687 7.850 -4.365 1.00 0.00 ? 41 ALA A HA 12 ATOM 17373 H HB1 . ALA A 1 41 ? -0.851 7.507 -2.100 1.00 0.00 ? 41 ALA A HB1 12 ATOM 17374 H HB2 . ALA A 1 41 ? -0.944 5.849 -2.697 1.00 0.00 ? 41 ALA A HB2 12 ATOM 17375 H HB3 . ALA A 1 41 ? 0.573 6.467 -2.044 1.00 0.00 ? 41 ALA A HB3 12 ATOM 17376 N N . THR A 1 42 ? 2.496 7.264 -3.690 1.00 0.00 ? 42 THR A N 12 ATOM 17377 C CA . THR A 1 42 ? 3.810 7.889 -3.601 1.00 0.00 ? 42 THR A CA 12 ATOM 17378 C C . THR A 1 42 ? 4.081 8.773 -4.813 1.00 0.00 ? 42 THR A C 12 ATOM 17379 O O . THR A 1 42 ? 4.661 9.853 -4.691 1.00 0.00 ? 42 THR A O 12 ATOM 17380 C CB . THR A 1 42 ? 4.927 6.835 -3.488 1.00 0.00 ? 42 THR A CB 12 ATOM 17381 O OG1 . THR A 1 42 ? 4.810 5.882 -4.550 1.00 0.00 ? 42 THR A OG1 12 ATOM 17382 C CG2 . THR A 1 42 ? 4.862 6.120 -2.147 1.00 0.00 ? 42 THR A CG2 12 ATOM 17383 H H . THR A 1 42 ? 2.418 6.295 -3.570 1.00 0.00 ? 42 THR A H 12 ATOM 17384 H HA . THR A 1 42 ? 3.829 8.500 -2.711 1.00 0.00 ? 42 THR A HA 12 ATOM 17385 H HB . THR A 1 42 ? 5.882 7.335 -3.567 1.00 0.00 ? 42 THR A HB 12 ATOM 17386 H HG1 . THR A 1 42 ? 3.954 5.450 -4.500 1.00 0.00 ? 42 THR A HG1 12 ATOM 17387 H HG21 . THR A 1 42 ? 3.831 5.929 -1.890 1.00 0.00 ? 42 THR A HG21 12 ATOM 17388 H HG22 . THR A 1 42 ? 5.315 6.738 -1.387 1.00 0.00 ? 42 THR A HG22 12 ATOM 17389 H HG23 . THR A 1 42 ? 5.395 5.183 -2.214 1.00 0.00 ? 42 THR A HG23 12 ATOM 17390 N N . THR A 1 43 ? 3.659 8.309 -5.985 1.00 0.00 ? 43 THR A N 12 ATOM 17391 C CA . THR A 1 43 ? 3.857 9.057 -7.220 1.00 0.00 ? 43 THR A CA 12 ATOM 17392 C C . THR A 1 43 ? 3.087 10.373 -7.195 1.00 0.00 ? 43 THR A C 12 ATOM 17393 O O . THR A 1 43 ? 3.583 11.403 -7.652 1.00 0.00 ? 43 THR A O 12 ATOM 17394 C CB . THR A 1 43 ? 3.415 8.240 -8.449 1.00 0.00 ? 43 THR A CB 12 ATOM 17395 O OG1 . THR A 1 43 ? 4.164 7.022 -8.521 1.00 0.00 ? 43 THR A OG1 12 ATOM 17396 C CG2 . THR A 1 43 ? 3.612 9.039 -9.729 1.00 0.00 ? 43 THR A CG2 12 ATOM 17397 H H . THR A 1 43 ? 3.203 7.442 -6.018 1.00 0.00 ? 43 THR A H 12 ATOM 17398 H HA . THR A 1 43 ? 4.911 9.271 -7.315 1.00 0.00 ? 43 THR A HA 12 ATOM 17399 H HB . THR A 1 43 ? 2.366 8.004 -8.347 1.00 0.00 ? 43 THR A HB 12 ATOM 17400 H HG1 . THR A 1 43 ? 4.328 6.694 -7.634 1.00 0.00 ? 43 THR A HG1 12 ATOM 17401 H HG21 . THR A 1 43 ? 2.790 8.848 -10.402 1.00 0.00 ? 43 THR A HG21 12 ATOM 17402 H HG22 . THR A 1 43 ? 4.538 8.743 -10.199 1.00 0.00 ? 43 THR A HG22 12 ATOM 17403 H HG23 . THR A 1 43 ? 3.648 10.092 -9.494 1.00 0.00 ? 43 THR A HG23 12 ATOM 17404 N N . TYR A 1 44 ? 1.872 10.332 -6.659 1.00 0.00 ? 44 TYR A N 12 ATOM 17405 C CA . TYR A 1 44 ? 1.033 11.521 -6.577 1.00 0.00 ? 44 TYR A CA 12 ATOM 17406 C C . TYR A 1 44 ? 1.601 12.521 -5.574 1.00 0.00 ? 44 TYR A C 12 ATOM 17407 O O . TYR A 1 44 ? 1.768 13.701 -5.883 1.00 0.00 ? 44 TYR A O 12 ATOM 17408 C CB . TYR A 1 44 ? -0.394 11.137 -6.179 1.00 0.00 ? 44 TYR A CB 12 ATOM 17409 C CG . TYR A 1 44 ? -1.285 12.326 -5.898 1.00 0.00 ? 44 TYR A CG 12 ATOM 17410 C CD1 . TYR A 1 44 ? -1.175 13.493 -6.645 1.00 0.00 ? 44 TYR A CD1 12 ATOM 17411 C CD2 . TYR A 1 44 ? -2.235 12.284 -4.886 1.00 0.00 ? 44 TYR A CD2 12 ATOM 17412 C CE1 . TYR A 1 44 ? -1.986 14.582 -6.392 1.00 0.00 ? 44 TYR A CE1 12 ATOM 17413 C CE2 . TYR A 1 44 ? -3.052 13.368 -4.627 1.00 0.00 ? 44 TYR A CE2 12 ATOM 17414 C CZ . TYR A 1 44 ? -2.923 14.514 -5.382 1.00 0.00 ? 44 TYR A CZ 12 ATOM 17415 O OH . TYR A 1 44 ? -3.734 15.597 -5.127 1.00 0.00 ? 44 TYR A OH 12 ATOM 17416 H H . TYR A 1 44 ? 1.531 9.481 -6.312 1.00 0.00 ? 44 TYR A H 12 ATOM 17417 H HA . TYR A 1 44 ? 1.012 11.981 -7.554 1.00 0.00 ? 44 TYR A HA 12 ATOM 17418 H HB2 . TYR A 1 44 ? -0.843 10.569 -6.978 1.00 0.00 ? 44 TYR A HB2 12 ATOM 17419 H HB3 . TYR A 1 44 ? -0.360 10.530 -5.286 1.00 0.00 ? 44 TYR A HB3 12 ATOM 17420 H HD1 . TYR A 1 44 ? -0.440 13.543 -7.436 1.00 0.00 ? 44 TYR A HD1 12 ATOM 17421 H HD2 . TYR A 1 44 ? -2.333 11.384 -4.295 1.00 0.00 ? 44 TYR A HD2 12 ATOM 17422 H HE1 . TYR A 1 44 ? -1.887 15.480 -6.984 1.00 0.00 ? 44 TYR A HE1 12 ATOM 17423 H HE2 . TYR A 1 44 ? -3.785 13.315 -3.836 1.00 0.00 ? 44 TYR A HE2 12 ATOM 17424 H HH . TYR A 1 44 ? -4.497 15.569 -5.708 1.00 0.00 ? 44 TYR A HH 12 ATOM 17425 N N . LEU A 1 45 ? 1.897 12.039 -4.372 1.00 0.00 ? 45 LEU A N 12 ATOM 17426 C CA . LEU A 1 45 ? 2.448 12.889 -3.321 1.00 0.00 ? 45 LEU A CA 12 ATOM 17427 C C . LEU A 1 45 ? 3.720 13.584 -3.795 1.00 0.00 ? 45 LEU A C 12 ATOM 17428 O O . LEU A 1 45 ? 3.959 14.748 -3.474 1.00 0.00 ? 45 LEU A O 12 ATOM 17429 C CB . LEU A 1 45 ? 2.741 12.060 -2.070 1.00 0.00 ? 45 LEU A CB 12 ATOM 17430 C CG . LEU A 1 45 ? 1.561 11.282 -1.487 1.00 0.00 ? 45 LEU A CG 12 ATOM 17431 C CD1 . LEU A 1 45 ? 2.043 10.275 -0.454 1.00 0.00 ? 45 LEU A CD1 12 ATOM 17432 C CD2 . LEU A 1 45 ? 0.546 12.235 -0.872 1.00 0.00 ? 45 LEU A CD2 12 ATOM 17433 H H . LEU A 1 45 ? 1.742 11.090 -4.185 1.00 0.00 ? 45 LEU A H 12 ATOM 17434 H HA . LEU A 1 45 ? 1.709 13.639 -3.081 1.00 0.00 ? 45 LEU A HA 12 ATOM 17435 H HB2 . LEU A 1 45 ? 3.515 11.350 -2.318 1.00 0.00 ? 45 LEU A HB2 12 ATOM 17436 H HB3 . LEU A 1 45 ? 3.105 12.733 -1.306 1.00 0.00 ? 45 LEU A HB3 12 ATOM 17437 H HG . LEU A 1 45 ? 1.070 10.737 -2.281 1.00 0.00 ? 45 LEU A HG 12 ATOM 17438 H HD11 . LEU A 1 45 ? 1.258 10.093 0.264 1.00 0.00 ? 45 LEU A HD11 12 ATOM 17439 H HD12 . LEU A 1 45 ? 2.911 10.668 0.053 1.00 0.00 ? 45 LEU A HD12 12 ATOM 17440 H HD13 . LEU A 1 45 ? 2.302 9.350 -0.948 1.00 0.00 ? 45 LEU A HD13 12 ATOM 17441 H HD21 . LEU A 1 45 ? -0.322 12.297 -1.511 1.00 0.00 ? 45 LEU A HD21 12 ATOM 17442 H HD22 . LEU A 1 45 ? 0.988 13.216 -0.771 1.00 0.00 ? 45 LEU A HD22 12 ATOM 17443 H HD23 . LEU A 1 45 ? 0.252 11.870 0.101 1.00 0.00 ? 45 LEU A HD23 12 ATOM 17444 N N . SER A 1 46 ? 4.531 12.864 -4.562 1.00 0.00 ? 46 SER A N 12 ATOM 17445 C CA . SER A 1 46 ? 5.780 13.411 -5.079 1.00 0.00 ? 46 SER A CA 12 ATOM 17446 C C . SER A 1 46 ? 5.509 14.522 -6.089 1.00 0.00 ? 46 SER A C 12 ATOM 17447 O O . SER A 1 46 ? 6.364 15.372 -6.336 1.00 0.00 ? 46 SER A O 12 ATOM 17448 C CB . SER A 1 46 ? 6.615 12.307 -5.731 1.00 0.00 ? 46 SER A CB 12 ATOM 17449 O OG . SER A 1 46 ? 7.156 11.434 -4.755 1.00 0.00 ? 46 SER A OG 12 ATOM 17450 H H . SER A 1 46 ? 4.285 11.941 -4.783 1.00 0.00 ? 46 SER A H 12 ATOM 17451 H HA . SER A 1 46 ? 6.331 13.823 -4.247 1.00 0.00 ? 46 SER A HA 12 ATOM 17452 H HB2 . SER A 1 46 ? 5.991 11.735 -6.401 1.00 0.00 ? 46 SER A HB2 12 ATOM 17453 H HB3 . SER A 1 46 ? 7.426 12.753 -6.287 1.00 0.00 ? 46 SER A HB3 12 ATOM 17454 H HG . SER A 1 46 ? 6.538 10.719 -4.586 1.00 0.00 ? 46 SER A HG 12 ATOM 17455 N N . GLU A 1 47 ? 4.314 14.507 -6.669 1.00 0.00 ? 47 GLU A N 12 ATOM 17456 C CA . GLU A 1 47 ? 3.930 15.513 -7.653 1.00 0.00 ? 47 GLU A CA 12 ATOM 17457 C C . GLU A 1 47 ? 3.376 16.760 -6.969 1.00 0.00 ? 47 GLU A C 12 ATOM 17458 O O . GLU A 1 47 ? 3.380 17.849 -7.542 1.00 0.00 ? 47 GLU A O 12 ATOM 17459 C CB . GLU A 1 47 ? 2.889 14.943 -8.619 1.00 0.00 ? 47 GLU A CB 12 ATOM 17460 C CG . GLU A 1 47 ? 3.479 14.023 -9.675 1.00 0.00 ? 47 GLU A CG 12 ATOM 17461 C CD . GLU A 1 47 ? 4.329 14.766 -10.687 1.00 0.00 ? 47 GLU A CD 12 ATOM 17462 O OE1 . GLU A 1 47 ? 3.773 15.216 -11.711 1.00 0.00 ? 47 GLU A OE1 12 ATOM 17463 O OE2 . GLU A 1 47 ? 5.549 14.897 -10.457 1.00 0.00 ? 47 GLU A OE2 12 ATOM 17464 H H . GLU A 1 47 ? 3.675 13.804 -6.431 1.00 0.00 ? 47 GLU A H 12 ATOM 17465 H HA . GLU A 1 47 ? 4.814 15.786 -8.210 1.00 0.00 ? 47 GLU A HA 12 ATOM 17466 H HB2 . GLU A 1 47 ? 2.157 14.386 -8.053 1.00 0.00 ? 47 GLU A HB2 12 ATOM 17467 H HB3 . GLU A 1 47 ? 2.396 15.762 -9.121 1.00 0.00 ? 47 GLU A HB3 12 ATOM 17468 H HG2 . GLU A 1 47 ? 4.094 13.282 -9.186 1.00 0.00 ? 47 GLU A HG2 12 ATOM 17469 H HG3 . GLU A 1 47 ? 2.671 13.531 -10.197 1.00 0.00 ? 47 GLU A HG3 12 ATOM 17470 N N . ALA A 1 48 ? 2.900 16.591 -5.740 1.00 0.00 ? 48 ALA A N 12 ATOM 17471 C CA . ALA A 1 48 ? 2.344 17.701 -4.977 1.00 0.00 ? 48 ALA A CA 12 ATOM 17472 C C . ALA A 1 48 ? 3.448 18.607 -4.442 1.00 0.00 ? 48 ALA A C 12 ATOM 17473 O O . ALA A 1 48 ? 3.425 19.820 -4.653 1.00 0.00 ? 48 ALA A O 12 ATOM 17474 C CB . ALA A 1 48 ? 1.487 17.179 -3.833 1.00 0.00 ? 48 ALA A CB 12 ATOM 17475 H H . ALA A 1 48 ? 2.925 15.698 -5.336 1.00 0.00 ? 48 ALA A H 12 ATOM 17476 H HA . ALA A 1 48 ? 1.709 18.275 -5.637 1.00 0.00 ? 48 ALA A HA 12 ATOM 17477 H HB1 . ALA A 1 48 ? 0.769 16.469 -4.217 1.00 0.00 ? 48 ALA A HB1 12 ATOM 17478 H HB2 . ALA A 1 48 ? 2.118 16.695 -3.103 1.00 0.00 ? 48 ALA A HB2 12 ATOM 17479 H HB3 . ALA A 1 48 ? 0.966 18.003 -3.369 1.00 0.00 ? 48 ALA A HB3 12 ATOM 17480 N N . MET A 1 49 ? 4.413 18.011 -3.749 1.00 0.00 ? 49 MET A N 12 ATOM 17481 C CA . MET A 1 49 ? 5.526 18.766 -3.185 1.00 0.00 ? 49 MET A CA 12 ATOM 17482 C C . MET A 1 49 ? 6.377 19.385 -4.288 1.00 0.00 ? 49 MET A C 12 ATOM 17483 O O . MET A 1 49 ? 7.051 20.394 -4.075 1.00 0.00 ? 49 MET A O 12 ATOM 17484 C CB . MET A 1 49 ? 6.390 17.860 -2.305 1.00 0.00 ? 49 MET A CB 12 ATOM 17485 C CG . MET A 1 49 ? 6.919 16.633 -3.030 1.00 0.00 ? 49 MET A CG 12 ATOM 17486 S SD . MET A 1 49 ? 7.743 15.474 -1.923 1.00 0.00 ? 49 MET A SD 12 ATOM 17487 C CE . MET A 1 49 ? 6.519 15.316 -0.625 1.00 0.00 ? 49 MET A CE 12 ATOM 17488 H H . MET A 1 49 ? 4.376 17.041 -3.614 1.00 0.00 ? 49 MET A H 12 ATOM 17489 H HA . MET A 1 49 ? 5.114 19.557 -2.576 1.00 0.00 ? 49 MET A HA 12 ATOM 17490 H HB2 . MET A 1 49 ? 7.233 18.429 -1.942 1.00 0.00 ? 49 MET A HB2 12 ATOM 17491 H HB3 . MET A 1 49 ? 5.801 17.527 -1.463 1.00 0.00 ? 49 MET A HB3 12 ATOM 17492 H HG2 . MET A 1 49 ? 6.092 16.128 -3.506 1.00 0.00 ? 49 MET A HG2 12 ATOM 17493 H HG3 . MET A 1 49 ? 7.623 16.954 -3.784 1.00 0.00 ? 49 MET A HG3 12 ATOM 17494 H HE1 . MET A 1 49 ? 5.549 15.596 -1.009 1.00 0.00 ? 49 MET A HE1 12 ATOM 17495 H HE2 . MET A 1 49 ? 6.489 14.293 -0.282 1.00 0.00 ? 49 MET A HE2 12 ATOM 17496 H HE3 . MET A 1 49 ? 6.782 15.965 0.197 1.00 0.00 ? 49 MET A HE3 12 ATOM 17497 N N . LYS A 1 50 ? 6.344 18.775 -5.468 1.00 0.00 ? 50 LYS A N 12 ATOM 17498 C CA . LYS A 1 50 ? 7.112 19.267 -6.606 1.00 0.00 ? 50 LYS A CA 12 ATOM 17499 C C . LYS A 1 50 ? 6.523 20.570 -7.137 1.00 0.00 ? 50 LYS A C 12 ATOM 17500 O O . LYS A 1 50 ? 7.066 21.176 -8.062 1.00 0.00 ? 50 LYS A O 12 ATOM 17501 C CB . LYS A 1 50 ? 7.141 18.217 -7.719 1.00 0.00 ? 50 LYS A CB 12 ATOM 17502 C CG . LYS A 1 50 ? 8.283 17.224 -7.589 1.00 0.00 ? 50 LYS A CG 12 ATOM 17503 C CD . LYS A 1 50 ? 8.189 16.125 -8.635 1.00 0.00 ? 50 LYS A CD 12 ATOM 17504 C CE . LYS A 1 50 ? 9.113 14.963 -8.307 1.00 0.00 ? 50 LYS A CE 12 ATOM 17505 N NZ . LYS A 1 50 ? 10.513 15.230 -8.739 1.00 0.00 ? 50 LYS A NZ 12 ATOM 17506 H H . LYS A 1 50 ? 5.788 17.975 -5.577 1.00 0.00 ? 50 LYS A H 12 ATOM 17507 H HA . LYS A 1 50 ? 8.121 19.452 -6.271 1.00 0.00 ? 50 LYS A HA 12 ATOM 17508 H HB2 . LYS A 1 50 ? 6.211 17.668 -7.705 1.00 0.00 ? 50 LYS A HB2 12 ATOM 17509 H HB3 . LYS A 1 50 ? 7.236 18.721 -8.671 1.00 0.00 ? 50 LYS A HB3 12 ATOM 17510 H HG2 . LYS A 1 50 ? 9.219 17.747 -7.717 1.00 0.00 ? 50 LYS A HG2 12 ATOM 17511 H HG3 . LYS A 1 50 ? 8.249 16.777 -6.606 1.00 0.00 ? 50 LYS A HG3 12 ATOM 17512 H HD2 . LYS A 1 50 ? 7.172 15.762 -8.672 1.00 0.00 ? 50 LYS A HD2 12 ATOM 17513 H HD3 . LYS A 1 50 ? 8.463 16.532 -9.598 1.00 0.00 ? 50 LYS A HD3 12 ATOM 17514 H HE2 . LYS A 1 50 ? 9.100 14.799 -7.240 1.00 0.00 ? 50 LYS A HE2 12 ATOM 17515 H HE3 . LYS A 1 50 ? 8.752 14.079 -8.811 1.00 0.00 ? 50 LYS A HE3 12 ATOM 17516 H HZ1 . LYS A 1 50 ? 10.536 15.464 -9.752 1.00 0.00 ? 50 LYS A HZ1 12 ATOM 17517 H HZ2 . LYS A 1 50 ? 11.103 14.389 -8.577 1.00 0.00 ? 50 LYS A HZ2 12 ATOM 17518 H HZ3 . LYS A 1 50 ? 10.908 16.027 -8.200 1.00 0.00 ? 50 LYS A HZ3 12 ATOM 17519 N N . LEU A 1 51 ? 5.413 20.997 -6.546 1.00 0.00 ? 51 LEU A N 12 ATOM 17520 C CA . LEU A 1 51 ? 4.752 22.230 -6.959 1.00 0.00 ? 51 LEU A CA 12 ATOM 17521 C C . LEU A 1 51 ? 4.744 23.250 -5.825 1.00 0.00 ? 51 LEU A C 12 ATOM 17522 O O . LEU A 1 51 ? 5.188 24.386 -5.993 1.00 0.00 ? 51 LEU A O 12 ATOM 17523 C CB . LEU A 1 51 ? 3.319 21.938 -7.408 1.00 0.00 ? 51 LEU A CB 12 ATOM 17524 C CG . LEU A 1 51 ? 3.171 21.135 -8.701 1.00 0.00 ? 51 LEU A CG 12 ATOM 17525 C CD1 . LEU A 1 51 ? 1.711 20.785 -8.948 1.00 0.00 ? 51 LEU A CD1 12 ATOM 17526 C CD2 . LEU A 1 51 ? 3.742 21.910 -9.879 1.00 0.00 ? 51 LEU A CD2 12 ATOM 17527 H H . LEU A 1 51 ? 5.028 20.471 -5.815 1.00 0.00 ? 51 LEU A H 12 ATOM 17528 H HA . LEU A 1 51 ? 5.305 22.639 -7.791 1.00 0.00 ? 51 LEU A HA 12 ATOM 17529 H HB2 . LEU A 1 51 ? 2.831 21.387 -6.619 1.00 0.00 ? 51 LEU A HB2 12 ATOM 17530 H HB3 . LEU A 1 51 ? 2.817 22.885 -7.546 1.00 0.00 ? 51 LEU A HB3 12 ATOM 17531 H HG . LEU A 1 51 ? 3.723 20.210 -8.608 1.00 0.00 ? 51 LEU A HG 12 ATOM 17532 H HD11 . LEU A 1 51 ? 1.102 21.210 -8.164 1.00 0.00 ? 51 LEU A HD11 12 ATOM 17533 H HD12 . LEU A 1 51 ? 1.594 19.712 -8.954 1.00 0.00 ? 51 LEU A HD12 12 ATOM 17534 H HD13 . LEU A 1 51 ? 1.402 21.186 -9.902 1.00 0.00 ? 51 LEU A HD13 12 ATOM 17535 H HD21 . LEU A 1 51 ? 3.401 22.934 -9.835 1.00 0.00 ? 51 LEU A HD21 12 ATOM 17536 H HD22 . LEU A 1 51 ? 3.409 21.459 -10.802 1.00 0.00 ? 51 LEU A HD22 12 ATOM 17537 H HD23 . LEU A 1 51 ? 4.821 21.887 -9.835 1.00 0.00 ? 51 LEU A HD23 12 ATOM 17538 N N . THR A 1 52 ? 4.237 22.836 -4.667 1.00 0.00 ? 52 THR A N 12 ATOM 17539 C CA . THR A 1 52 ? 4.172 23.712 -3.505 1.00 0.00 ? 52 THR A CA 12 ATOM 17540 C C . THR A 1 52 ? 5.562 24.191 -3.099 1.00 0.00 ? 52 THR A C 12 ATOM 17541 O O . THR A 1 52 ? 6.485 23.391 -2.953 1.00 0.00 ? 52 THR A O 12 ATOM 17542 C CB . THR A 1 52 ? 3.514 23.005 -2.305 1.00 0.00 ? 52 THR A CB 12 ATOM 17543 O OG1 . THR A 1 52 ? 2.939 23.974 -1.421 1.00 0.00 ? 52 THR A OG1 12 ATOM 17544 C CG2 . THR A 1 52 ? 4.530 22.162 -1.549 1.00 0.00 ? 52 THR A CG2 12 ATOM 17545 H H . THR A 1 52 ? 3.899 21.919 -4.596 1.00 0.00 ? 52 THR A H 12 ATOM 17546 H HA . THR A 1 52 ? 3.569 24.569 -3.766 1.00 0.00 ? 52 THR A HA 12 ATOM 17547 H HB . THR A 1 52 ? 2.733 22.356 -2.673 1.00 0.00 ? 52 THR A HB 12 ATOM 17548 H HG1 . THR A 1 52 ? 2.203 24.409 -1.858 1.00 0.00 ? 52 THR A HG1 12 ATOM 17549 H HG21 . THR A 1 52 ? 5.227 22.810 -1.038 1.00 0.00 ? 52 THR A HG21 12 ATOM 17550 H HG22 . THR A 1 52 ? 5.066 21.535 -2.246 1.00 0.00 ? 52 THR A HG22 12 ATOM 17551 H HG23 . THR A 1 52 ? 4.019 21.544 -0.827 1.00 0.00 ? 52 THR A HG23 12 ATOM 17552 N N . GLU A 1 53 ? 5.702 25.500 -2.916 1.00 0.00 ? 53 GLU A N 12 ATOM 17553 C CA . GLU A 1 53 ? 6.980 26.084 -2.527 1.00 0.00 ? 53 GLU A CA 12 ATOM 17554 C C . GLU A 1 53 ? 6.994 26.418 -1.038 1.00 0.00 ? 53 GLU A C 12 ATOM 17555 O O . GLU A 1 53 ? 7.889 27.112 -0.555 1.00 0.00 ? 53 GLU A O 12 ATOM 17556 C CB . GLU A 1 53 ? 7.261 27.345 -3.347 1.00 0.00 ? 53 GLU A CB 12 ATOM 17557 C CG . GLU A 1 53 ? 7.679 27.059 -4.779 1.00 0.00 ? 53 GLU A CG 12 ATOM 17558 C CD . GLU A 1 53 ? 8.885 26.144 -4.863 1.00 0.00 ? 53 GLU A CD 12 ATOM 17559 O OE1 . GLU A 1 53 ? 8.710 24.917 -4.710 1.00 0.00 ? 53 GLU A OE1 12 ATOM 17560 O OE2 . GLU A 1 53 ? 10.004 26.654 -5.082 1.00 0.00 ? 53 GLU A OE2 12 ATOM 17561 H H . GLU A 1 53 ? 4.928 26.087 -3.047 1.00 0.00 ? 53 GLU A H 12 ATOM 17562 H HA . GLU A 1 53 ? 7.752 25.356 -2.727 1.00 0.00 ? 53 GLU A HA 12 ATOM 17563 H HB2 . GLU A 1 53 ? 6.368 27.952 -3.368 1.00 0.00 ? 53 GLU A HB2 12 ATOM 17564 H HB3 . GLU A 1 53 ? 8.052 27.902 -2.868 1.00 0.00 ? 53 GLU A HB3 12 ATOM 17565 H HG2 . GLU A 1 53 ? 6.854 26.590 -5.295 1.00 0.00 ? 53 GLU A HG2 12 ATOM 17566 H HG3 . GLU A 1 53 ? 7.920 27.993 -5.264 1.00 0.00 ? 53 GLU A HG3 12 ATOM 17567 N N . SER A 1 54 ? 5.995 25.920 -0.316 1.00 0.00 ? 54 SER A N 12 ATOM 17568 C CA . SER A 1 54 ? 5.889 26.169 1.117 1.00 0.00 ? 54 SER A CA 12 ATOM 17569 C C . SER A 1 54 ? 6.566 25.057 1.913 1.00 0.00 ? 54 SER A C 12 ATOM 17570 O O . SER A 1 54 ? 6.819 23.972 1.390 1.00 0.00 ? 54 SER A O 12 ATOM 17571 C CB . SER A 1 54 ? 4.421 26.286 1.529 1.00 0.00 ? 54 SER A CB 12 ATOM 17572 O OG . SER A 1 54 ? 4.299 26.811 2.839 1.00 0.00 ? 54 SER A OG 12 ATOM 17573 H H . SER A 1 54 ? 5.312 25.375 -0.759 1.00 0.00 ? 54 SER A H 12 ATOM 17574 H HA . SER A 1 54 ? 6.389 27.103 1.329 1.00 0.00 ? 54 SER A HA 12 ATOM 17575 H HB2 . SER A 1 54 ? 3.908 26.943 0.842 1.00 0.00 ? 54 SER A HB2 12 ATOM 17576 H HB3 . SER A 1 54 ? 3.963 25.308 1.501 1.00 0.00 ? 54 SER A HB3 12 ATOM 17577 H HG . SER A 1 54 ? 4.397 27.765 2.813 1.00 0.00 ? 54 SER A HG 12 ATOM 17578 N N . GLU A 1 55 ? 6.854 25.336 3.180 1.00 0.00 ? 55 GLU A N 12 ATOM 17579 C CA . GLU A 1 55 ? 7.502 24.360 4.048 1.00 0.00 ? 55 GLU A CA 12 ATOM 17580 C C . GLU A 1 55 ? 6.475 23.416 4.666 1.00 0.00 ? 55 GLU A C 12 ATOM 17581 O O . GLU A 1 55 ? 6.556 22.199 4.498 1.00 0.00 ? 55 GLU A O 12 ATOM 17582 C CB . GLU A 1 55 ? 8.288 25.069 5.153 1.00 0.00 ? 55 GLU A CB 12 ATOM 17583 C CG . GLU A 1 55 ? 9.365 24.203 5.786 1.00 0.00 ? 55 GLU A CG 12 ATOM 17584 C CD . GLU A 1 55 ? 10.112 24.919 6.894 1.00 0.00 ? 55 GLU A CD 12 ATOM 17585 O OE1 . GLU A 1 55 ? 10.745 25.957 6.610 1.00 0.00 ? 55 GLU A OE1 12 ATOM 17586 O OE2 . GLU A 1 55 ? 10.063 24.440 8.047 1.00 0.00 ? 55 GLU A OE2 12 ATOM 17587 H H . GLU A 1 55 ? 6.627 26.219 3.539 1.00 0.00 ? 55 GLU A H 12 ATOM 17588 H HA . GLU A 1 55 ? 8.187 23.783 3.446 1.00 0.00 ? 55 GLU A HA 12 ATOM 17589 H HB2 . GLU A 1 55 ? 8.759 25.947 4.736 1.00 0.00 ? 55 GLU A HB2 12 ATOM 17590 H HB3 . GLU A 1 55 ? 7.600 25.375 5.928 1.00 0.00 ? 55 GLU A HB3 12 ATOM 17591 H HG2 . GLU A 1 55 ? 8.902 23.319 6.197 1.00 0.00 ? 55 GLU A HG2 12 ATOM 17592 H HG3 . GLU A 1 55 ? 10.072 23.916 5.022 1.00 0.00 ? 55 GLU A HG3 12 ATOM 17593 N N . GLN A 1 56 ? 5.510 23.986 5.381 1.00 0.00 ? 56 GLN A N 12 ATOM 17594 C CA . GLN A 1 56 ? 4.468 23.195 6.025 1.00 0.00 ? 56 GLN A CA 12 ATOM 17595 C C . GLN A 1 56 ? 3.855 22.200 5.044 1.00 0.00 ? 56 GLN A C 12 ATOM 17596 O O . GLN A 1 56 ? 3.918 20.989 5.253 1.00 0.00 ? 56 GLN A O 12 ATOM 17597 C CB . GLN A 1 56 ? 3.379 24.109 6.589 1.00 0.00 ? 56 GLN A CB 12 ATOM 17598 C CG . GLN A 1 56 ? 3.638 24.552 8.020 1.00 0.00 ? 56 GLN A CG 12 ATOM 17599 C CD . GLN A 1 56 ? 3.044 23.601 9.041 1.00 0.00 ? 56 GLN A CD 12 ATOM 17600 O OE1 . GLN A 1 56 ? 1.971 23.036 8.829 1.00 0.00 ? 56 GLN A OE1 12 ATOM 17601 N NE2 . GLN A 1 56 ? 3.740 23.420 10.157 1.00 0.00 ? 56 GLN A NE2 12 ATOM 17602 H H . GLN A 1 56 ? 5.499 24.960 5.478 1.00 0.00 ? 56 GLN A H 12 ATOM 17603 H HA . GLN A 1 56 ? 4.922 22.647 6.837 1.00 0.00 ? 56 GLN A HA 12 ATOM 17604 H HB2 . GLN A 1 56 ? 3.309 24.991 5.969 1.00 0.00 ? 56 GLN A HB2 12 ATOM 17605 H HB3 . GLN A 1 56 ? 2.436 23.584 6.562 1.00 0.00 ? 56 GLN A HB3 12 ATOM 17606 H HG2 . GLN A 1 56 ? 4.705 24.605 8.180 1.00 0.00 ? 56 GLN A HG2 12 ATOM 17607 H HG3 . GLN A 1 56 ? 3.204 25.530 8.164 1.00 0.00 ? 56 GLN A HG3 12 ATOM 17608 H HE21 . GLN A 1 56 ? 4.586 23.905 10.258 1.00 0.00 ? 56 GLN A HE21 12 ATOM 17609 H HE22 . GLN A 1 56 ? 3.379 22.812 10.834 1.00 0.00 ? 56 GLN A HE22 12 ATOM 17610 N N . ALA A 1 57 ? 3.263 22.720 3.974 1.00 0.00 ? 57 ALA A N 12 ATOM 17611 C CA . ALA A 1 57 ? 2.641 21.878 2.960 1.00 0.00 ? 57 ALA A CA 12 ATOM 17612 C C . ALA A 1 57 ? 3.557 20.724 2.566 1.00 0.00 ? 57 ALA A C 12 ATOM 17613 O O . ALA A 1 57 ? 3.190 19.556 2.690 1.00 0.00 ? 57 ALA A O 12 ATOM 17614 C CB . ALA A 1 57 ? 2.276 22.706 1.737 1.00 0.00 ? 57 ALA A CB 12 ATOM 17615 H H . ALA A 1 57 ? 3.246 23.693 3.863 1.00 0.00 ? 57 ALA A H 12 ATOM 17616 H HA . ALA A 1 57 ? 1.729 21.474 3.376 1.00 0.00 ? 57 ALA A HA 12 ATOM 17617 H HB1 . ALA A 1 57 ? 2.229 22.064 0.870 1.00 0.00 ? 57 ALA A HB1 12 ATOM 17618 H HB2 . ALA A 1 57 ? 1.314 23.172 1.892 1.00 0.00 ? 57 ALA A HB2 12 ATOM 17619 H HB3 . ALA A 1 57 ? 3.025 23.468 1.582 1.00 0.00 ? 57 ALA A HB3 12 ATOM 17620 N N . HIS A 1 58 ? 4.752 21.060 2.090 1.00 0.00 ? 58 HIS A N 12 ATOM 17621 C CA . HIS A 1 58 ? 5.722 20.052 1.678 1.00 0.00 ? 58 HIS A CA 12 ATOM 17622 C C . HIS A 1 58 ? 5.886 18.984 2.754 1.00 0.00 ? 58 HIS A C 12 ATOM 17623 O O . HIS A 1 58 ? 5.776 17.788 2.479 1.00 0.00 ? 58 HIS A O 12 ATOM 17624 C CB . HIS A 1 58 ? 7.072 20.704 1.380 1.00 0.00 ? 58 HIS A CB 12 ATOM 17625 C CG . HIS A 1 58 ? 8.164 19.719 1.097 1.00 0.00 ? 58 HIS A CG 12 ATOM 17626 N ND1 . HIS A 1 58 ? 8.724 18.916 2.069 1.00 0.00 ? 58 HIS A ND1 12 ATOM 17627 C CD2 . HIS A 1 58 ? 8.798 19.407 -0.057 1.00 0.00 ? 58 HIS A CD2 12 ATOM 17628 C CE1 . HIS A 1 58 ? 9.656 18.155 1.525 1.00 0.00 ? 58 HIS A CE1 12 ATOM 17629 N NE2 . HIS A 1 58 ? 9.721 18.433 0.235 1.00 0.00 ? 58 HIS A NE2 12 ATOM 17630 H H . HIS A 1 58 ? 4.987 22.009 2.015 1.00 0.00 ? 58 HIS A H 12 ATOM 17631 H HA . HIS A 1 58 ? 5.351 19.584 0.778 1.00 0.00 ? 58 HIS A HA 12 ATOM 17632 H HB2 . HIS A 1 58 ? 6.972 21.345 0.516 1.00 0.00 ? 58 HIS A HB2 12 ATOM 17633 H HB3 . HIS A 1 58 ? 7.373 21.299 2.230 1.00 0.00 ? 58 HIS A HB3 12 ATOM 17634 H HD1 . HIS A 1 58 ? 8.476 18.908 3.017 1.00 0.00 ? 58 HIS A HD1 12 ATOM 17635 H HD2 . HIS A 1 58 ? 8.613 19.843 -1.029 1.00 0.00 ? 58 HIS A HD2 12 ATOM 17636 H HE1 . HIS A 1 58 ? 10.263 17.429 2.045 1.00 0.00 ? 58 HIS A HE1 12 ATOM 17637 H HE2 . HIS A 1 58 ? 10.387 18.073 -0.387 1.00 0.00 ? 58 HIS A HE2 12 ATOM 17638 N N . LEU A 1 59 ? 6.150 19.422 3.980 1.00 0.00 ? 59 LEU A N 12 ATOM 17639 C CA . LEU A 1 59 ? 6.330 18.503 5.099 1.00 0.00 ? 59 LEU A CA 12 ATOM 17640 C C . LEU A 1 59 ? 5.177 17.508 5.177 1.00 0.00 ? 59 LEU A C 12 ATOM 17641 O O . LEU A 1 59 ? 5.388 16.295 5.156 1.00 0.00 ? 59 LEU A O 12 ATOM 17642 C CB . LEU A 1 59 ? 6.438 19.281 6.411 1.00 0.00 ? 59 LEU A CB 12 ATOM 17643 C CG . LEU A 1 59 ? 7.849 19.691 6.835 1.00 0.00 ? 59 LEU A CG 12 ATOM 17644 C CD1 . LEU A 1 59 ? 8.602 20.301 5.663 1.00 0.00 ? 59 LEU A CD1 12 ATOM 17645 C CD2 . LEU A 1 59 ? 7.793 20.667 8.001 1.00 0.00 ? 59 LEU A CD2 12 ATOM 17646 H H . LEU A 1 59 ? 6.226 20.386 4.138 1.00 0.00 ? 59 LEU A H 12 ATOM 17647 H HA . LEU A 1 59 ? 7.249 17.959 4.936 1.00 0.00 ? 59 LEU A HA 12 ATOM 17648 H HB2 . LEU A 1 59 ? 5.849 20.180 6.312 1.00 0.00 ? 59 LEU A HB2 12 ATOM 17649 H HB3 . LEU A 1 59 ? 6.021 18.665 7.196 1.00 0.00 ? 59 LEU A HB3 12 ATOM 17650 H HG . LEU A 1 59 ? 8.390 18.813 7.159 1.00 0.00 ? 59 LEU A HG 12 ATOM 17651 H HD11 . LEU A 1 59 ? 9.664 20.214 5.834 1.00 0.00 ? 59 LEU A HD11 12 ATOM 17652 H HD12 . LEU A 1 59 ? 8.337 21.343 5.568 1.00 0.00 ? 59 LEU A HD12 12 ATOM 17653 H HD13 . LEU A 1 59 ? 8.339 19.778 4.755 1.00 0.00 ? 59 LEU A HD13 12 ATOM 17654 H HD21 . LEU A 1 59 ? 6.900 21.269 7.924 1.00 0.00 ? 59 LEU A HD21 12 ATOM 17655 H HD22 . LEU A 1 59 ? 8.662 21.308 7.976 1.00 0.00 ? 59 LEU A HD22 12 ATOM 17656 H HD23 . LEU A 1 59 ? 7.777 20.117 8.931 1.00 0.00 ? 59 LEU A HD23 12 ATOM 17657 N N . SER A 1 60 ? 3.958 18.029 5.267 1.00 0.00 ? 60 SER A N 12 ATOM 17658 C CA . SER A 1 60 ? 2.771 17.186 5.350 1.00 0.00 ? 60 SER A CA 12 ATOM 17659 C C . SER A 1 60 ? 2.861 16.022 4.367 1.00 0.00 ? 60 SER A C 12 ATOM 17660 O O . SER A 1 60 ? 2.250 14.972 4.573 1.00 0.00 ? 60 SER A O 12 ATOM 17661 C CB . SER A 1 60 ? 1.513 18.011 5.068 1.00 0.00 ? 60 SER A CB 12 ATOM 17662 O OG . SER A 1 60 ? 1.484 19.184 5.861 1.00 0.00 ? 60 SER A OG 12 ATOM 17663 H H . SER A 1 60 ? 3.854 19.004 5.279 1.00 0.00 ? 60 SER A H 12 ATOM 17664 H HA . SER A 1 60 ? 2.714 16.791 6.353 1.00 0.00 ? 60 SER A HA 12 ATOM 17665 H HB2 . SER A 1 60 ? 1.498 18.294 4.026 1.00 0.00 ? 60 SER A HB2 12 ATOM 17666 H HB3 . SER A 1 60 ? 0.639 17.417 5.292 1.00 0.00 ? 60 SER A HB3 12 ATOM 17667 H HG . SER A 1 60 ? 0.774 19.119 6.504 1.00 0.00 ? 60 SER A HG 12 ATOM 17668 N N . LEU A 1 61 ? 3.625 16.217 3.299 1.00 0.00 ? 61 LEU A N 12 ATOM 17669 C CA . LEU A 1 61 ? 3.797 15.184 2.283 1.00 0.00 ? 61 LEU A CA 12 ATOM 17670 C C . LEU A 1 61 ? 5.010 14.313 2.591 1.00 0.00 ? 61 LEU A C 12 ATOM 17671 O O . LEU A 1 61 ? 4.877 13.119 2.856 1.00 0.00 ? 61 LEU A O 12 ATOM 17672 C CB . LEU A 1 61 ? 3.950 15.821 0.900 1.00 0.00 ? 61 LEU A CB 12 ATOM 17673 C CG . LEU A 1 61 ? 2.863 16.819 0.497 1.00 0.00 ? 61 LEU A CG 12 ATOM 17674 C CD1 . LEU A 1 61 ? 3.246 17.534 -0.789 1.00 0.00 ? 61 LEU A CD1 12 ATOM 17675 C CD2 . LEU A 1 61 ? 1.524 16.113 0.339 1.00 0.00 ? 61 LEU A CD2 12 ATOM 17676 H H . LEU A 1 61 ? 4.086 17.074 3.190 1.00 0.00 ? 61 LEU A H 12 ATOM 17677 H HA . LEU A 1 61 ? 2.913 14.564 2.288 1.00 0.00 ? 61 LEU A HA 12 ATOM 17678 H HB2 . LEU A 1 61 ? 4.897 16.338 0.878 1.00 0.00 ? 61 LEU A HB2 12 ATOM 17679 H HB3 . LEU A 1 61 ? 3.958 15.025 0.169 1.00 0.00 ? 61 LEU A HB3 12 ATOM 17680 H HG . LEU A 1 61 ? 2.760 17.563 1.274 1.00 0.00 ? 61 LEU A HG 12 ATOM 17681 H HD11 . LEU A 1 61 ? 3.738 16.841 -1.454 1.00 0.00 ? 61 LEU A HD11 12 ATOM 17682 H HD12 . LEU A 1 61 ? 3.916 18.350 -0.561 1.00 0.00 ? 61 LEU A HD12 12 ATOM 17683 H HD13 . LEU A 1 61 ? 2.357 17.921 -1.264 1.00 0.00 ? 61 LEU A HD13 12 ATOM 17684 H HD21 . LEU A 1 61 ? 1.671 15.173 -0.172 1.00 0.00 ? 61 LEU A HD21 12 ATOM 17685 H HD22 . LEU A 1 61 ? 0.856 16.736 -0.239 1.00 0.00 ? 61 LEU A HD22 12 ATOM 17686 H HD23 . LEU A 1 61 ? 1.096 15.931 1.313 1.00 0.00 ? 61 LEU A HD23 12 ATOM 17687 N N . GLU A 1 62 ? 6.192 14.920 2.555 1.00 0.00 ? 62 GLU A N 12 ATOM 17688 C CA . GLU A 1 62 ? 7.429 14.198 2.832 1.00 0.00 ? 62 GLU A CA 12 ATOM 17689 C C . GLU A 1 62 ? 7.244 13.228 3.996 1.00 0.00 ? 62 GLU A C 12 ATOM 17690 O O . GLU A 1 62 ? 7.835 12.148 4.018 1.00 0.00 ? 62 GLU A O 12 ATOM 17691 C CB . GLU A 1 62 ? 8.559 15.181 3.147 1.00 0.00 ? 62 GLU A CB 12 ATOM 17692 C CG . GLU A 1 62 ? 8.674 15.523 4.623 1.00 0.00 ? 62 GLU A CG 12 ATOM 17693 C CD . GLU A 1 62 ? 9.859 16.420 4.924 1.00 0.00 ? 62 GLU A CD 12 ATOM 17694 O OE1 . GLU A 1 62 ? 9.923 17.530 4.355 1.00 0.00 ? 62 GLU A OE1 12 ATOM 17695 O OE2 . GLU A 1 62 ? 10.722 16.012 5.729 1.00 0.00 ? 62 GLU A OE2 12 ATOM 17696 H H . GLU A 1 62 ? 6.234 15.874 2.337 1.00 0.00 ? 62 GLU A H 12 ATOM 17697 H HA . GLU A 1 62 ? 7.690 13.636 1.949 1.00 0.00 ? 62 GLU A HA 12 ATOM 17698 H HB2 . GLU A 1 62 ? 9.495 14.750 2.824 1.00 0.00 ? 62 GLU A HB2 12 ATOM 17699 H HB3 . GLU A 1 62 ? 8.387 16.096 2.600 1.00 0.00 ? 62 GLU A HB3 12 ATOM 17700 H HG2 . GLU A 1 62 ? 7.772 16.028 4.934 1.00 0.00 ? 62 GLU A HG2 12 ATOM 17701 H HG3 . GLU A 1 62 ? 8.784 14.606 5.185 1.00 0.00 ? 62 GLU A HG3 12 ATOM 17702 N N . LEU A 1 63 ? 6.422 13.623 4.962 1.00 0.00 ? 63 LEU A N 12 ATOM 17703 C CA . LEU A 1 63 ? 6.159 12.789 6.130 1.00 0.00 ? 63 LEU A CA 12 ATOM 17704 C C . LEU A 1 63 ? 5.209 11.648 5.781 1.00 0.00 ? 63 LEU A C 12 ATOM 17705 O O . LEU A 1 63 ? 5.439 10.500 6.160 1.00 0.00 ? 63 LEU A O 12 ATOM 17706 C CB . LEU A 1 63 ? 5.567 13.633 7.260 1.00 0.00 ? 63 LEU A CB 12 ATOM 17707 C CG . LEU A 1 63 ? 6.519 14.631 7.921 1.00 0.00 ? 63 LEU A CG 12 ATOM 17708 C CD1 . LEU A 1 63 ? 5.738 15.672 8.709 1.00 0.00 ? 63 LEU A CD1 12 ATOM 17709 C CD2 . LEU A 1 63 ? 7.508 13.908 8.824 1.00 0.00 ? 63 LEU A CD2 12 ATOM 17710 H H . LEU A 1 63 ? 5.981 14.494 4.889 1.00 0.00 ? 63 LEU A H 12 ATOM 17711 H HA . LEU A 1 63 ? 7.099 12.372 6.457 1.00 0.00 ? 63 LEU A HA 12 ATOM 17712 H HB2 . LEU A 1 63 ? 4.734 14.189 6.857 1.00 0.00 ? 63 LEU A HB2 12 ATOM 17713 H HB3 . LEU A 1 63 ? 5.211 12.958 8.025 1.00 0.00 ? 63 LEU A HB3 12 ATOM 17714 H HG . LEU A 1 63 ? 7.081 15.146 7.154 1.00 0.00 ? 63 LEU A HG 12 ATOM 17715 H HD11 . LEU A 1 63 ? 5.299 16.384 8.027 1.00 0.00 ? 63 LEU A HD11 12 ATOM 17716 H HD12 . LEU A 1 63 ? 6.405 16.185 9.386 1.00 0.00 ? 63 LEU A HD12 12 ATOM 17717 H HD13 . LEU A 1 63 ? 4.958 15.184 9.274 1.00 0.00 ? 63 LEU A HD13 12 ATOM 17718 H HD21 . LEU A 1 63 ? 7.083 13.804 9.812 1.00 0.00 ? 63 LEU A HD21 12 ATOM 17719 H HD22 . LEU A 1 63 ? 8.424 14.477 8.883 1.00 0.00 ? 63 LEU A HD22 12 ATOM 17720 H HD23 . LEU A 1 63 ? 7.717 12.929 8.417 1.00 0.00 ? 63 LEU A HD23 12 ATOM 17721 N N . GLN A 1 64 ? 4.142 11.972 5.057 1.00 0.00 ? 64 GLN A N 12 ATOM 17722 C CA . GLN A 1 64 ? 3.159 10.973 4.657 1.00 0.00 ? 64 GLN A CA 12 ATOM 17723 C C . GLN A 1 64 ? 3.792 9.915 3.759 1.00 0.00 ? 64 GLN A C 12 ATOM 17724 O O . GLN A 1 64 ? 3.544 8.721 3.922 1.00 0.00 ? 64 GLN A O 12 ATOM 17725 C CB . GLN A 1 64 ? 1.989 11.641 3.932 1.00 0.00 ? 64 GLN A CB 12 ATOM 17726 C CG . GLN A 1 64 ? 0.773 10.741 3.782 1.00 0.00 ? 64 GLN A CG 12 ATOM 17727 C CD . GLN A 1 64 ? -0.073 10.689 5.039 1.00 0.00 ? 64 GLN A CD 12 ATOM 17728 O OE1 . GLN A 1 64 ? 0.359 10.173 6.071 1.00 0.00 ? 64 GLN A OE1 12 ATOM 17729 N NE2 . GLN A 1 64 ? -1.286 11.223 4.960 1.00 0.00 ? 64 GLN A NE2 12 ATOM 17730 H H . GLN A 1 64 ? 4.014 12.905 4.786 1.00 0.00 ? 64 GLN A H 12 ATOM 17731 H HA . GLN A 1 64 ? 2.790 10.495 5.551 1.00 0.00 ? 64 GLN A HA 12 ATOM 17732 H HB2 . GLN A 1 64 ? 1.693 12.521 4.484 1.00 0.00 ? 64 GLN A HB2 12 ATOM 17733 H HB3 . GLN A 1 64 ? 2.314 11.937 2.946 1.00 0.00 ? 64 GLN A HB3 12 ATOM 17734 H HG2 . GLN A 1 64 ? 0.163 11.113 2.972 1.00 0.00 ? 64 GLN A HG2 12 ATOM 17735 H HG3 . GLN A 1 64 ? 1.108 9.741 3.549 1.00 0.00 ? 64 GLN A HG3 12 ATOM 17736 H HE21 . GLN A 1 64 ? -1.563 11.615 4.105 1.00 0.00 ? 64 GLN A HE21 12 ATOM 17737 H HE22 . GLN A 1 64 ? -1.854 11.202 5.757 1.00 0.00 ? 64 GLN A HE22 12 ATOM 17738 N N . ARG A 1 65 ? 4.609 10.363 2.811 1.00 0.00 ? 65 ARG A N 12 ATOM 17739 C CA . ARG A 1 65 ? 5.276 9.455 1.886 1.00 0.00 ? 65 ARG A CA 12 ATOM 17740 C C . ARG A 1 65 ? 6.038 8.371 2.643 1.00 0.00 ? 65 ARG A C 12 ATOM 17741 O O . ARG A 1 65 ? 6.104 7.223 2.205 1.00 0.00 ? 65 ARG A O 12 ATOM 17742 C CB . ARG A 1 65 ? 6.234 10.229 0.980 1.00 0.00 ? 65 ARG A CB 12 ATOM 17743 C CG . ARG A 1 65 ? 6.793 9.400 -0.165 1.00 0.00 ? 65 ARG A CG 12 ATOM 17744 C CD . ARG A 1 65 ? 7.602 10.255 -1.128 1.00 0.00 ? 65 ARG A CD 12 ATOM 17745 N NE . ARG A 1 65 ? 8.654 9.487 -1.790 1.00 0.00 ? 65 ARG A NE 12 ATOM 17746 C CZ . ARG A 1 65 ? 9.407 9.968 -2.773 1.00 0.00 ? 65 ARG A CZ 12 ATOM 17747 N NH1 . ARG A 1 65 ? 9.227 11.208 -3.205 1.00 0.00 ? 65 ARG A NH1 12 ATOM 17748 N NH2 . ARG A 1 65 ? 10.345 9.207 -3.325 1.00 0.00 ? 65 ARG A NH2 12 ATOM 17749 H H . ARG A 1 65 ? 4.766 11.327 2.731 1.00 0.00 ? 65 ARG A H 12 ATOM 17750 H HA . ARG A 1 65 ? 4.518 8.986 1.277 1.00 0.00 ? 65 ARG A HA 12 ATOM 17751 H HB2 . ARG A 1 65 ? 5.710 11.075 0.560 1.00 0.00 ? 65 ARG A HB2 12 ATOM 17752 H HB3 . ARG A 1 65 ? 7.062 10.587 1.573 1.00 0.00 ? 65 ARG A HB3 12 ATOM 17753 H HG2 . ARG A 1 65 ? 7.433 8.629 0.239 1.00 0.00 ? 65 ARG A HG2 12 ATOM 17754 H HG3 . ARG A 1 65 ? 5.973 8.946 -0.702 1.00 0.00 ? 65 ARG A HG3 12 ATOM 17755 H HD2 . ARG A 1 65 ? 6.938 10.656 -1.878 1.00 0.00 ? 65 ARG A HD2 12 ATOM 17756 H HD3 . ARG A 1 65 ? 8.054 11.065 -0.576 1.00 0.00 ? 65 ARG A HD3 12 ATOM 17757 H HE . ARG A 1 65 ? 8.804 8.568 -1.486 1.00 0.00 ? 65 ARG A HE 12 ATOM 17758 H HH11 . ARG A 1 65 ? 8.522 11.783 -2.790 1.00 0.00 ? 65 ARG A HH11 12 ATOM 17759 H HH12 . ARG A 1 65 ? 9.797 11.568 -3.944 1.00 0.00 ? 65 ARG A HH12 12 ATOM 17760 H HH21 . ARG A 1 65 ? 10.484 8.272 -3.001 1.00 0.00 ? 65 ARG A HH21 12 ATOM 17761 H HH22 . ARG A 1 65 ? 10.911 9.570 -4.064 1.00 0.00 ? 65 ARG A HH22 12 ATOM 17762 N N . ASP A 1 66 ? 6.613 8.745 3.781 1.00 0.00 ? 66 ASP A N 12 ATOM 17763 C CA . ASP A 1 66 ? 7.371 7.805 4.600 1.00 0.00 ? 66 ASP A CA 12 ATOM 17764 C C . ASP A 1 66 ? 6.595 6.507 4.796 1.00 0.00 ? 66 ASP A C 12 ATOM 17765 O O . ASP A 1 66 ? 7.079 5.426 4.460 1.00 0.00 ? 66 ASP A O 12 ATOM 17766 C CB . ASP A 1 66 ? 7.699 8.428 5.958 1.00 0.00 ? 66 ASP A CB 12 ATOM 17767 C CG . ASP A 1 66 ? 8.368 7.446 6.899 1.00 0.00 ? 66 ASP A CG 12 ATOM 17768 O OD1 . ASP A 1 66 ? 9.540 7.094 6.652 1.00 0.00 ? 66 ASP A OD1 12 ATOM 17769 O OD2 . ASP A 1 66 ? 7.720 7.029 7.881 1.00 0.00 ? 66 ASP A OD2 12 ATOM 17770 H H . ASP A 1 66 ? 6.525 9.675 4.078 1.00 0.00 ? 66 ASP A H 12 ATOM 17771 H HA . ASP A 1 66 ? 8.293 7.584 4.084 1.00 0.00 ? 66 ASP A HA 12 ATOM 17772 H HB2 . ASP A 1 66 ? 8.363 9.267 5.811 1.00 0.00 ? 66 ASP A HB2 12 ATOM 17773 H HB3 . ASP A 1 66 ? 6.785 8.775 6.418 1.00 0.00 ? 66 ASP A HB3 12 ATOM 17774 N N . SER A 1 67 ? 5.388 6.621 5.343 1.00 0.00 ? 67 SER A N 12 ATOM 17775 C CA . SER A 1 67 ? 4.547 5.456 5.589 1.00 0.00 ? 67 SER A CA 12 ATOM 17776 C C . SER A 1 67 ? 4.208 4.745 4.282 1.00 0.00 ? 67 SER A C 12 ATOM 17777 O O . SER A 1 67 ? 4.478 3.555 4.120 1.00 0.00 ? 67 SER A O 12 ATOM 17778 C CB . SER A 1 67 ? 3.261 5.871 6.305 1.00 0.00 ? 67 SER A CB 12 ATOM 17779 O OG . SER A 1 67 ? 2.550 6.842 5.556 1.00 0.00 ? 67 SER A OG 12 ATOM 17780 H H . SER A 1 67 ? 5.058 7.511 5.589 1.00 0.00 ? 67 SER A H 12 ATOM 17781 H HA . SER A 1 67 ? 5.098 4.776 6.221 1.00 0.00 ? 67 SER A HA 12 ATOM 17782 H HB2 . SER A 1 67 ? 2.631 5.005 6.439 1.00 0.00 ? 67 SER A HB2 12 ATOM 17783 H HB3 . SER A 1 67 ? 3.509 6.289 7.270 1.00 0.00 ? 67 SER A HB3 12 ATOM 17784 H HG . SER A 1 67 ? 3.018 7.679 5.591 1.00 0.00 ? 67 SER A HG 12 ATOM 17785 N N . HIS A 1 68 ? 3.613 5.485 3.350 1.00 0.00 ? 68 HIS A N 12 ATOM 17786 C CA . HIS A 1 68 ? 3.237 4.927 2.056 1.00 0.00 ? 68 HIS A CA 12 ATOM 17787 C C . HIS A 1 68 ? 4.304 3.961 1.550 1.00 0.00 ? 68 HIS A C 12 ATOM 17788 O O . HIS A 1 68 ? 4.007 3.031 0.801 1.00 0.00 ? 68 HIS A O 12 ATOM 17789 C CB . HIS A 1 68 ? 3.021 6.047 1.038 1.00 0.00 ? 68 HIS A CB 12 ATOM 17790 C CG . HIS A 1 68 ? 1.637 6.618 1.060 1.00 0.00 ? 68 HIS A CG 12 ATOM 17791 N ND1 . HIS A 1 68 ? 0.529 5.922 0.625 1.00 0.00 ? 68 HIS A ND1 12 ATOM 17792 C CD2 . HIS A 1 68 ? 1.184 7.826 1.469 1.00 0.00 ? 68 HIS A CD2 12 ATOM 17793 C CE1 . HIS A 1 68 ? -0.546 6.678 0.765 1.00 0.00 ? 68 HIS A CE1 12 ATOM 17794 N NE2 . HIS A 1 68 ? -0.176 7.838 1.275 1.00 0.00 ? 68 HIS A NE2 12 ATOM 17795 H H . HIS A 1 68 ? 3.424 6.428 3.538 1.00 0.00 ? 68 HIS A H 12 ATOM 17796 H HA . HIS A 1 68 ? 2.312 4.386 2.185 1.00 0.00 ? 68 HIS A HA 12 ATOM 17797 H HB2 . HIS A 1 68 ? 3.714 6.849 1.243 1.00 0.00 ? 68 HIS A HB2 12 ATOM 17798 H HB3 . HIS A 1 68 ? 3.207 5.663 0.045 1.00 0.00 ? 68 HIS A HB3 12 ATOM 17799 H HD1 . HIS A 1 68 ? 0.530 5.010 0.267 1.00 0.00 ? 68 HIS A HD1 12 ATOM 17800 H HD2 . HIS A 1 68 ? 1.780 8.632 1.873 1.00 0.00 ? 68 HIS A HD2 12 ATOM 17801 H HE1 . HIS A 1 68 ? -1.555 6.395 0.506 1.00 0.00 ? 68 HIS A HE1 12 ATOM 17802 H HE2 . HIS A 1 68 ? -0.762 8.612 1.400 1.00 0.00 ? 68 HIS A HE2 12 ATOM 17803 N N . MET A 1 69 ? 5.546 4.190 1.963 1.00 0.00 ? 69 MET A N 12 ATOM 17804 C CA . MET A 1 69 ? 6.657 3.339 1.551 1.00 0.00 ? 69 MET A CA 12 ATOM 17805 C C . MET A 1 69 ? 6.960 2.288 2.615 1.00 0.00 ? 69 MET A C 12 ATOM 17806 O O . MET A 1 69 ? 7.212 1.125 2.299 1.00 0.00 ? 69 MET A O 12 ATOM 17807 C CB . MET A 1 69 ? 7.903 4.185 1.283 1.00 0.00 ? 69 MET A CB 12 ATOM 17808 C CG . MET A 1 69 ? 7.909 4.840 -0.089 1.00 0.00 ? 69 MET A CG 12 ATOM 17809 S SD . MET A 1 69 ? 7.771 3.643 -1.430 1.00 0.00 ? 69 MET A SD 12 ATOM 17810 C CE . MET A 1 69 ? 9.113 2.527 -1.028 1.00 0.00 ? 69 MET A CE 12 ATOM 17811 H H . MET A 1 69 ? 5.721 4.948 2.560 1.00 0.00 ? 69 MET A H 12 ATOM 17812 H HA . MET A 1 69 ? 6.370 2.839 0.639 1.00 0.00 ? 69 MET A HA 12 ATOM 17813 H HB2 . MET A 1 69 ? 7.963 4.963 2.030 1.00 0.00 ? 69 MET A HB2 12 ATOM 17814 H HB3 . MET A 1 69 ? 8.776 3.554 1.361 1.00 0.00 ? 69 MET A HB3 12 ATOM 17815 H HG2 . MET A 1 69 ? 7.077 5.525 -0.151 1.00 0.00 ? 69 MET A HG2 12 ATOM 17816 H HG3 . MET A 1 69 ? 8.833 5.387 -0.206 1.00 0.00 ? 69 MET A HG3 12 ATOM 17817 H HE1 . MET A 1 69 ? 8.950 2.106 -0.047 1.00 0.00 ? 69 MET A HE1 12 ATOM 17818 H HE2 . MET A 1 69 ? 9.152 1.733 -1.759 1.00 0.00 ? 69 MET A HE2 12 ATOM 17819 H HE3 . MET A 1 69 ? 10.047 3.070 -1.035 1.00 0.00 ? 69 MET A HE3 12 ATOM 17820 N N . LYS A 1 70 ? 6.935 2.705 3.876 1.00 0.00 ? 70 LYS A N 12 ATOM 17821 C CA . LYS A 1 70 ? 7.207 1.801 4.987 1.00 0.00 ? 70 LYS A CA 12 ATOM 17822 C C . LYS A 1 70 ? 6.363 0.535 4.876 1.00 0.00 ? 70 LYS A C 12 ATOM 17823 O O . LYS A 1 70 ? 6.814 -0.554 5.229 1.00 0.00 ? 70 LYS A O 12 ATOM 17824 C CB . LYS A 1 70 ? 6.927 2.499 6.320 1.00 0.00 ? 70 LYS A CB 12 ATOM 17825 C CG . LYS A 1 70 ? 5.507 2.301 6.823 1.00 0.00 ? 70 LYS A CG 12 ATOM 17826 C CD . LYS A 1 70 ? 5.326 2.875 8.218 1.00 0.00 ? 70 LYS A CD 12 ATOM 17827 C CE . LYS A 1 70 ? 6.237 2.191 9.225 1.00 0.00 ? 70 LYS A CE 12 ATOM 17828 N NZ . LYS A 1 70 ? 5.924 2.599 10.623 1.00 0.00 ? 70 LYS A NZ 12 ATOM 17829 H H . LYS A 1 70 ? 6.728 3.645 4.064 1.00 0.00 ? 70 LYS A H 12 ATOM 17830 H HA . LYS A 1 70 ? 8.251 1.528 4.945 1.00 0.00 ? 70 LYS A HA 12 ATOM 17831 H HB2 . LYS A 1 70 ? 7.607 2.113 7.064 1.00 0.00 ? 70 LYS A HB2 12 ATOM 17832 H HB3 . LYS A 1 70 ? 7.100 3.559 6.201 1.00 0.00 ? 70 LYS A HB3 12 ATOM 17833 H HG2 . LYS A 1 70 ? 4.824 2.797 6.150 1.00 0.00 ? 70 LYS A HG2 12 ATOM 17834 H HG3 . LYS A 1 70 ? 5.287 1.243 6.847 1.00 0.00 ? 70 LYS A HG3 12 ATOM 17835 H HD2 . LYS A 1 70 ? 5.558 3.930 8.197 1.00 0.00 ? 70 LYS A HD2 12 ATOM 17836 H HD3 . LYS A 1 70 ? 4.298 2.738 8.523 1.00 0.00 ? 70 LYS A HD3 12 ATOM 17837 H HE2 . LYS A 1 70 ? 6.114 1.123 9.135 1.00 0.00 ? 70 LYS A HE2 12 ATOM 17838 H HE3 . LYS A 1 70 ? 7.260 2.456 9.003 1.00 0.00 ? 70 LYS A HE3 12 ATOM 17839 H HZ1 . LYS A 1 70 ? 6.796 2.632 11.189 1.00 0.00 ? 70 LYS A HZ1 12 ATOM 17840 H HZ2 . LYS A 1 70 ? 5.269 1.917 11.056 1.00 0.00 ? 70 LYS A HZ2 12 ATOM 17841 H HZ3 . LYS A 1 70 ? 5.482 3.540 10.631 1.00 0.00 ? 70 LYS A HZ3 12 ATOM 17842 N N . GLN A 1 71 ? 5.138 0.687 4.383 1.00 0.00 ? 71 GLN A N 12 ATOM 17843 C CA . GLN A 1 71 ? 4.233 -0.445 4.226 1.00 0.00 ? 71 GLN A CA 12 ATOM 17844 C C . GLN A 1 71 ? 4.562 -1.234 2.963 1.00 0.00 ? 71 GLN A C 12 ATOM 17845 O O . GLN A 1 71 ? 4.394 -2.454 2.919 1.00 0.00 ? 71 GLN A O 12 ATOM 17846 C CB . GLN A 1 71 ? 2.782 0.038 4.176 1.00 0.00 ? 71 GLN A CB 12 ATOM 17847 C CG . GLN A 1 71 ? 2.197 0.351 5.544 1.00 0.00 ? 71 GLN A CG 12 ATOM 17848 C CD . GLN A 1 71 ? 2.080 -0.879 6.423 1.00 0.00 ? 71 GLN A CD 12 ATOM 17849 O OE1 . GLN A 1 71 ? 1.095 -1.614 6.354 1.00 0.00 ? 71 GLN A OE1 12 ATOM 17850 N NE2 . GLN A 1 71 ? 3.088 -1.109 7.257 1.00 0.00 ? 71 GLN A NE2 12 ATOM 17851 H H . GLN A 1 71 ? 4.836 1.581 4.120 1.00 0.00 ? 71 GLN A H 12 ATOM 17852 H HA . GLN A 1 71 ? 4.358 -1.091 5.082 1.00 0.00 ? 71 GLN A HA 12 ATOM 17853 H HB2 . GLN A 1 71 ? 2.734 0.933 3.574 1.00 0.00 ? 71 GLN A HB2 12 ATOM 17854 H HB3 . GLN A 1 71 ? 2.176 -0.728 3.716 1.00 0.00 ? 71 GLN A HB3 12 ATOM 17855 H HG2 . GLN A 1 71 ? 2.835 1.068 6.038 1.00 0.00 ? 71 GLN A HG2 12 ATOM 17856 H HG3 . GLN A 1 71 ? 1.213 0.776 5.411 1.00 0.00 ? 71 GLN A HG3 12 ATOM 17857 H HE21 . GLN A 1 71 ? 3.839 -0.479 7.258 1.00 0.00 ? 71 GLN A HE21 12 ATOM 17858 H HE22 . GLN A 1 71 ? 3.038 -1.896 7.837 1.00 0.00 ? 71 GLN A HE22 12 ATOM 17859 N N . LEU A 1 72 ? 5.032 -0.532 1.938 1.00 0.00 ? 72 LEU A N 12 ATOM 17860 C CA . LEU A 1 72 ? 5.385 -1.167 0.673 1.00 0.00 ? 72 LEU A CA 12 ATOM 17861 C C . LEU A 1 72 ? 6.536 -2.150 0.860 1.00 0.00 ? 72 LEU A C 12 ATOM 17862 O O . LEU A 1 72 ? 6.505 -3.266 0.339 1.00 0.00 ? 72 LEU A O 12 ATOM 17863 C CB . LEU A 1 72 ? 5.766 -0.108 -0.362 1.00 0.00 ? 72 LEU A CB 12 ATOM 17864 C CG . LEU A 1 72 ? 6.478 -0.621 -1.615 1.00 0.00 ? 72 LEU A CG 12 ATOM 17865 C CD1 . LEU A 1 72 ? 5.725 -1.799 -2.212 1.00 0.00 ? 72 LEU A CD1 12 ATOM 17866 C CD2 . LEU A 1 72 ? 6.624 0.495 -2.640 1.00 0.00 ? 72 LEU A CD2 12 ATOM 17867 H H . LEU A 1 72 ? 5.144 0.437 2.033 1.00 0.00 ? 72 LEU A H 12 ATOM 17868 H HA . LEU A 1 72 ? 4.519 -1.708 0.321 1.00 0.00 ? 72 LEU A HA 12 ATOM 17869 H HB2 . LEU A 1 72 ? 4.861 0.389 -0.676 1.00 0.00 ? 72 LEU A HB2 12 ATOM 17870 H HB3 . LEU A 1 72 ? 6.418 0.606 0.121 1.00 0.00 ? 72 LEU A HB3 12 ATOM 17871 H HG . LEU A 1 72 ? 7.468 -0.960 -1.346 1.00 0.00 ? 72 LEU A HG 12 ATOM 17872 H HD11 . LEU A 1 72 ? 6.384 -2.356 -2.862 1.00 0.00 ? 72 LEU A HD11 12 ATOM 17873 H HD12 . LEU A 1 72 ? 4.881 -1.437 -2.780 1.00 0.00 ? 72 LEU A HD12 12 ATOM 17874 H HD13 . LEU A 1 72 ? 5.374 -2.442 -1.418 1.00 0.00 ? 72 LEU A HD13 12 ATOM 17875 H HD21 . LEU A 1 72 ? 7.664 0.599 -2.912 1.00 0.00 ? 72 LEU A HD21 12 ATOM 17876 H HD22 . LEU A 1 72 ? 6.269 1.423 -2.214 1.00 0.00 ? 72 LEU A HD22 12 ATOM 17877 H HD23 . LEU A 1 72 ? 6.044 0.256 -3.518 1.00 0.00 ? 72 LEU A HD23 12 ATOM 17878 N N . LEU A 1 73 ? 7.550 -1.730 1.609 1.00 0.00 ? 73 LEU A N 12 ATOM 17879 C CA . LEU A 1 73 ? 8.711 -2.574 1.867 1.00 0.00 ? 73 LEU A CA 12 ATOM 17880 C C . LEU A 1 73 ? 8.343 -3.743 2.775 1.00 0.00 ? 73 LEU A C 12 ATOM 17881 O O . LEU A 1 73 ? 8.926 -4.825 2.680 1.00 0.00 ? 73 LEU A O 12 ATOM 17882 C CB . LEU A 1 73 ? 9.833 -1.752 2.504 1.00 0.00 ? 73 LEU A CB 12 ATOM 17883 C CG . LEU A 1 73 ? 10.118 -0.394 1.861 1.00 0.00 ? 73 LEU A CG 12 ATOM 17884 C CD1 . LEU A 1 73 ? 11.317 0.268 2.522 1.00 0.00 ? 73 LEU A CD1 12 ATOM 17885 C CD2 . LEU A 1 73 ? 10.350 -0.551 0.366 1.00 0.00 ? 73 LEU A CD2 12 ATOM 17886 H H . LEU A 1 73 ? 7.518 -0.831 1.997 1.00 0.00 ? 73 LEU A H 12 ATOM 17887 H HA . LEU A 1 73 ? 9.055 -2.964 0.920 1.00 0.00 ? 73 LEU A HA 12 ATOM 17888 H HB2 . LEU A 1 73 ? 9.571 -1.580 3.537 1.00 0.00 ? 73 LEU A HB2 12 ATOM 17889 H HB3 . LEU A 1 73 ? 10.739 -2.338 2.458 1.00 0.00 ? 73 LEU A HB3 12 ATOM 17890 H HG . LEU A 1 73 ? 9.262 0.251 2.002 1.00 0.00 ? 73 LEU A HG 12 ATOM 17891 H HD11 . LEU A 1 73 ? 11.021 0.681 3.474 1.00 0.00 ? 73 LEU A HD11 12 ATOM 17892 H HD12 . LEU A 1 73 ? 11.687 1.058 1.886 1.00 0.00 ? 73 LEU A HD12 12 ATOM 17893 H HD13 . LEU A 1 73 ? 12.095 -0.466 2.673 1.00 0.00 ? 73 LEU A HD13 12 ATOM 17894 H HD21 . LEU A 1 73 ? 9.552 -1.140 -0.062 1.00 0.00 ? 73 LEU A HD21 12 ATOM 17895 H HD22 . LEU A 1 73 ? 11.294 -1.048 0.198 1.00 0.00 ? 73 LEU A HD22 12 ATOM 17896 H HD23 . LEU A 1 73 ? 10.368 0.423 -0.100 1.00 0.00 ? 73 LEU A HD23 12 ATOM 17897 N N . LEU A 1 74 ? 7.373 -3.520 3.654 1.00 0.00 ? 74 LEU A N 12 ATOM 17898 C CA . LEU A 1 74 ? 6.925 -4.556 4.579 1.00 0.00 ? 74 LEU A CA 12 ATOM 17899 C C . LEU A 1 74 ? 6.108 -5.619 3.851 1.00 0.00 ? 74 LEU A C 12 ATOM 17900 O O . LEU A 1 74 ? 6.359 -6.816 3.997 1.00 0.00 ? 74 LEU A O 12 ATOM 17901 C CB . LEU A 1 74 ? 6.092 -3.938 5.703 1.00 0.00 ? 74 LEU A CB 12 ATOM 17902 C CG . LEU A 1 74 ? 6.875 -3.403 6.902 1.00 0.00 ? 74 LEU A CG 12 ATOM 17903 C CD1 . LEU A 1 74 ? 5.974 -2.567 7.799 1.00 0.00 ? 74 LEU A CD1 12 ATOM 17904 C CD2 . LEU A 1 74 ? 7.497 -4.548 7.687 1.00 0.00 ? 74 LEU A CD2 12 ATOM 17905 H H . LEU A 1 74 ? 6.946 -2.638 3.683 1.00 0.00 ? 74 LEU A H 12 ATOM 17906 H HA . LEU A 1 74 ? 7.801 -5.021 5.005 1.00 0.00 ? 74 LEU A HA 12 ATOM 17907 H HB2 . LEU A 1 74 ? 5.528 -3.118 5.285 1.00 0.00 ? 74 LEU A HB2 12 ATOM 17908 H HB3 . LEU A 1 74 ? 5.410 -4.695 6.063 1.00 0.00 ? 74 LEU A HB3 12 ATOM 17909 H HG . LEU A 1 74 ? 7.674 -2.766 6.547 1.00 0.00 ? 74 LEU A HG 12 ATOM 17910 H HD11 . LEU A 1 74 ? 5.053 -3.099 7.979 1.00 0.00 ? 74 LEU A HD11 12 ATOM 17911 H HD12 . LEU A 1 74 ? 5.758 -1.626 7.315 1.00 0.00 ? 74 LEU A HD12 12 ATOM 17912 H HD13 . LEU A 1 74 ? 6.474 -2.382 8.738 1.00 0.00 ? 74 LEU A HD13 12 ATOM 17913 H HD21 . LEU A 1 74 ? 8.129 -4.149 8.467 1.00 0.00 ? 74 LEU A HD21 12 ATOM 17914 H HD22 . LEU A 1 74 ? 8.090 -5.160 7.022 1.00 0.00 ? 74 LEU A HD22 12 ATOM 17915 H HD23 . LEU A 1 74 ? 6.715 -5.148 8.129 1.00 0.00 ? 74 LEU A HD23 12 ATOM 17916 N N . ILE A 1 75 ? 5.132 -5.174 3.066 1.00 0.00 ? 75 ILE A N 12 ATOM 17917 C CA . ILE A 1 75 ? 4.282 -6.087 2.313 1.00 0.00 ? 75 ILE A CA 12 ATOM 17918 C C . ILE A 1 75 ? 5.110 -6.976 1.392 1.00 0.00 ? 75 ILE A C 12 ATOM 17919 O O . ILE A 1 75 ? 4.898 -8.186 1.327 1.00 0.00 ? 75 ILE A O 12 ATOM 17920 C CB . ILE A 1 75 ? 3.241 -5.324 1.473 1.00 0.00 ? 75 ILE A CB 12 ATOM 17921 C CG1 . ILE A 1 75 ? 2.256 -4.589 2.385 1.00 0.00 ? 75 ILE A CG1 12 ATOM 17922 C CG2 . ILE A 1 75 ? 2.502 -6.280 0.548 1.00 0.00 ? 75 ILE A CG2 12 ATOM 17923 C CD1 . ILE A 1 75 ? 1.453 -3.523 1.674 1.00 0.00 ? 75 ILE A CD1 12 ATOM 17924 H H . ILE A 1 75 ? 4.982 -4.209 2.991 1.00 0.00 ? 75 ILE A H 12 ATOM 17925 H HA . ILE A 1 75 ? 3.755 -6.712 3.021 1.00 0.00 ? 75 ILE A HA 12 ATOM 17926 H HB . ILE A 1 75 ? 3.763 -4.602 0.863 1.00 0.00 ? 75 ILE A HB 12 ATOM 17927 H HG12 . ILE A 1 75 ? 1.564 -5.301 2.805 1.00 0.00 ? 75 ILE A HG12 12 ATOM 17928 H HG13 . ILE A 1 75 ? 2.805 -4.113 3.185 1.00 0.00 ? 75 ILE A HG13 12 ATOM 17929 H HG21 . ILE A 1 75 ? 2.803 -7.294 0.766 1.00 0.00 ? 75 ILE A HG21 12 ATOM 17930 H HG22 . ILE A 1 75 ? 1.439 -6.179 0.703 1.00 0.00 ? 75 ILE A HG22 12 ATOM 17931 H HG23 . ILE A 1 75 ? 2.742 -6.045 -0.478 1.00 0.00 ? 75 ILE A HG23 12 ATOM 17932 H HD11 . ILE A 1 75 ? 1.283 -2.693 2.343 1.00 0.00 ? 75 ILE A HD11 12 ATOM 17933 H HD12 . ILE A 1 75 ? 1.996 -3.182 0.805 1.00 0.00 ? 75 ILE A HD12 12 ATOM 17934 H HD13 . ILE A 1 75 ? 0.503 -3.935 1.365 1.00 0.00 ? 75 ILE A HD13 12 ATOM 17935 N N . GLN A 1 76 ? 6.054 -6.366 0.683 1.00 0.00 ? 76 GLN A N 12 ATOM 17936 C CA . GLN A 1 76 ? 6.915 -7.103 -0.235 1.00 0.00 ? 76 GLN A CA 12 ATOM 17937 C C . GLN A 1 76 ? 7.505 -8.336 0.443 1.00 0.00 ? 76 GLN A C 12 ATOM 17938 O O . GLN A 1 76 ? 7.304 -9.461 -0.012 1.00 0.00 ? 76 GLN A O 12 ATOM 17939 C CB . GLN A 1 76 ? 8.039 -6.202 -0.748 1.00 0.00 ? 76 GLN A CB 12 ATOM 17940 C CG . GLN A 1 76 ? 7.605 -5.263 -1.862 1.00 0.00 ? 76 GLN A CG 12 ATOM 17941 C CD . GLN A 1 76 ? 8.765 -4.488 -2.456 1.00 0.00 ? 76 GLN A CD 12 ATOM 17942 O OE1 . GLN A 1 76 ? 9.610 -5.050 -3.154 1.00 0.00 ? 76 GLN A OE1 12 ATOM 17943 N NE2 . GLN A 1 76 ? 8.811 -3.189 -2.183 1.00 0.00 ? 76 GLN A NE2 12 ATOM 17944 H H . GLN A 1 76 ? 6.174 -5.399 0.778 1.00 0.00 ? 76 GLN A H 12 ATOM 17945 H HA . GLN A 1 76 ? 6.312 -7.422 -1.071 1.00 0.00 ? 76 GLN A HA 12 ATOM 17946 H HB2 . GLN A 1 76 ? 8.410 -5.606 0.073 1.00 0.00 ? 76 GLN A HB2 12 ATOM 17947 H HB3 . GLN A 1 76 ? 8.840 -6.823 -1.122 1.00 0.00 ? 76 GLN A HB3 12 ATOM 17948 H HG2 . GLN A 1 76 ? 7.142 -5.844 -2.645 1.00 0.00 ? 76 GLN A HG2 12 ATOM 17949 H HG3 . GLN A 1 76 ? 6.888 -4.560 -1.464 1.00 0.00 ? 76 GLN A HG3 12 ATOM 17950 H HE21 . GLN A 1 76 ? 8.104 -2.809 -1.620 1.00 0.00 ? 76 GLN A HE21 12 ATOM 17951 H HE22 . GLN A 1 76 ? 9.550 -2.664 -2.554 1.00 0.00 ? 76 GLN A HE22 12 ATOM 17952 N N . GLU A 1 77 ? 8.233 -8.114 1.533 1.00 0.00 ? 77 GLU A N 12 ATOM 17953 C CA . GLU A 1 77 ? 8.853 -9.207 2.272 1.00 0.00 ? 77 GLU A CA 12 ATOM 17954 C C . GLU A 1 77 ? 7.800 -10.194 2.769 1.00 0.00 ? 77 GLU A C 12 ATOM 17955 O O . GLU A 1 77 ? 8.003 -11.407 2.727 1.00 0.00 ? 77 GLU A O 12 ATOM 17956 C CB . GLU A 1 77 ? 9.655 -8.662 3.456 1.00 0.00 ? 77 GLU A CB 12 ATOM 17957 C CG . GLU A 1 77 ? 8.870 -7.701 4.332 1.00 0.00 ? 77 GLU A CG 12 ATOM 17958 C CD . GLU A 1 77 ? 9.669 -7.213 5.525 1.00 0.00 ? 77 GLU A CD 12 ATOM 17959 O OE1 . GLU A 1 77 ? 10.356 -6.178 5.396 1.00 0.00 ? 77 GLU A OE1 12 ATOM 17960 O OE2 . GLU A 1 77 ? 9.608 -7.867 6.587 1.00 0.00 ? 77 GLU A OE2 12 ATOM 17961 H H . GLU A 1 77 ? 8.357 -7.194 1.847 1.00 0.00 ? 77 GLU A H 12 ATOM 17962 H HA . GLU A 1 77 ? 9.524 -9.723 1.602 1.00 0.00 ? 77 GLU A HA 12 ATOM 17963 H HB2 . GLU A 1 77 ? 9.981 -9.490 4.067 1.00 0.00 ? 77 GLU A HB2 12 ATOM 17964 H HB3 . GLU A 1 77 ? 10.524 -8.143 3.077 1.00 0.00 ? 77 GLU A HB3 12 ATOM 17965 H HG2 . GLU A 1 77 ? 8.581 -6.846 3.739 1.00 0.00 ? 77 GLU A HG2 12 ATOM 17966 H HG3 . GLU A 1 77 ? 7.985 -8.204 4.692 1.00 0.00 ? 77 GLU A HG3 12 ATOM 17967 N N . ARG A 1 78 ? 6.676 -9.663 3.240 1.00 0.00 ? 78 ARG A N 12 ATOM 17968 C CA . ARG A 1 78 ? 5.592 -10.496 3.746 1.00 0.00 ? 78 ARG A CA 12 ATOM 17969 C C . ARG A 1 78 ? 5.033 -11.390 2.644 1.00 0.00 ? 78 ARG A C 12 ATOM 17970 O O . ARG A 1 78 ? 4.469 -12.450 2.917 1.00 0.00 ? 78 ARG A O 12 ATOM 17971 C CB . ARG A 1 78 ? 4.477 -9.622 4.324 1.00 0.00 ? 78 ARG A CB 12 ATOM 17972 C CG . ARG A 1 78 ? 4.831 -8.986 5.658 1.00 0.00 ? 78 ARG A CG 12 ATOM 17973 C CD . ARG A 1 78 ? 4.912 -10.024 6.766 1.00 0.00 ? 78 ARG A CD 12 ATOM 17974 N NE . ARG A 1 78 ? 5.229 -9.421 8.059 1.00 0.00 ? 78 ARG A NE 12 ATOM 17975 C CZ . ARG A 1 78 ? 6.416 -8.906 8.358 1.00 0.00 ? 78 ARG A CZ 12 ATOM 17976 N NH1 . ARG A 1 78 ? 7.393 -8.919 7.461 1.00 0.00 ? 78 ARG A NH1 12 ATOM 17977 N NH2 . ARG A 1 78 ? 6.627 -8.375 9.555 1.00 0.00 ? 78 ARG A NH2 12 ATOM 17978 H H . ARG A 1 78 ? 6.574 -8.688 3.247 1.00 0.00 ? 78 ARG A H 12 ATOM 17979 H HA . ARG A 1 78 ? 5.992 -11.120 4.532 1.00 0.00 ? 78 ARG A HA 12 ATOM 17980 H HB2 . ARG A 1 78 ? 4.253 -8.833 3.622 1.00 0.00 ? 78 ARG A HB2 12 ATOM 17981 H HB3 . ARG A 1 78 ? 3.595 -10.230 4.462 1.00 0.00 ? 78 ARG A HB3 12 ATOM 17982 H HG2 . ARG A 1 78 ? 5.789 -8.495 5.569 1.00 0.00 ? 78 ARG A HG2 12 ATOM 17983 H HG3 . ARG A 1 78 ? 4.074 -8.259 5.912 1.00 0.00 ? 78 ARG A HG3 12 ATOM 17984 H HD2 . ARG A 1 78 ? 3.960 -10.528 6.839 1.00 0.00 ? 78 ARG A HD2 12 ATOM 17985 H HD3 . ARG A 1 78 ? 5.680 -10.740 6.515 1.00 0.00 ? 78 ARG A HD3 12 ATOM 17986 H HE . ARG A 1 78 ? 4.521 -9.401 8.736 1.00 0.00 ? 78 ARG A HE 12 ATOM 17987 H HH11 . ARG A 1 78 ? 7.236 -9.317 6.558 1.00 0.00 ? 78 ARG A HH11 12 ATOM 17988 H HH12 . ARG A 1 78 ? 8.285 -8.529 7.689 1.00 0.00 ? 78 ARG A HH12 12 ATOM 17989 H HH21 . ARG A 1 78 ? 5.893 -8.363 10.233 1.00 0.00 ? 78 ARG A HH21 12 ATOM 17990 H HH22 . ARG A 1 78 ? 7.521 -7.987 9.779 1.00 0.00 ? 78 ARG A HH22 12 ATOM 17991 N N . TRP A 1 79 ? 5.192 -10.955 1.399 1.00 0.00 ? 79 TRP A N 12 ATOM 17992 C CA . TRP A 1 79 ? 4.702 -11.716 0.255 1.00 0.00 ? 79 TRP A CA 12 ATOM 17993 C C . TRP A 1 79 ? 5.637 -12.877 -0.067 1.00 0.00 ? 79 TRP A C 12 ATOM 17994 O O . TRP A 1 79 ? 5.202 -14.021 -0.194 1.00 0.00 ? 79 TRP A O 12 ATOM 17995 C CB . TRP A 1 79 ? 4.559 -10.806 -0.966 1.00 0.00 ? 79 TRP A CB 12 ATOM 17996 C CG . TRP A 1 79 ? 3.802 -11.440 -2.093 1.00 0.00 ? 79 TRP A CG 12 ATOM 17997 C CD1 . TRP A 1 79 ? 2.912 -12.472 -2.005 1.00 0.00 ? 79 TRP A CD1 12 ATOM 17998 C CD2 . TRP A 1 79 ? 3.871 -11.084 -3.478 1.00 0.00 ? 79 TRP A CD2 12 ATOM 17999 N NE1 . TRP A 1 79 ? 2.423 -12.779 -3.252 1.00 0.00 ? 79 TRP A NE1 12 ATOM 18000 C CE2 . TRP A 1 79 ? 2.995 -11.941 -4.173 1.00 0.00 ? 79 TRP A CE2 12 ATOM 18001 C CE3 . TRP A 1 79 ? 4.585 -10.123 -4.199 1.00 0.00 ? 79 TRP A CE3 12 ATOM 18002 C CZ2 . TRP A 1 79 ? 2.817 -11.865 -5.552 1.00 0.00 ? 79 TRP A CZ2 12 ATOM 18003 C CZ3 . TRP A 1 79 ? 4.408 -10.050 -5.568 1.00 0.00 ? 79 TRP A CZ3 12 ATOM 18004 C CH2 . TRP A 1 79 ? 3.530 -10.916 -6.232 1.00 0.00 ? 79 TRP A CH2 12 ATOM 18005 H H . TRP A 1 79 ? 5.649 -10.102 1.245 1.00 0.00 ? 79 TRP A H 12 ATOM 18006 H HA . TRP A 1 79 ? 3.731 -12.113 0.513 1.00 0.00 ? 79 TRP A HA 12 ATOM 18007 H HB2 . TRP A 1 79 ? 4.036 -9.907 -0.677 1.00 0.00 ? 79 TRP A HB2 12 ATOM 18008 H HB3 . TRP A 1 79 ? 5.543 -10.546 -1.328 1.00 0.00 ? 79 TRP A HB3 12 ATOM 18009 H HD1 . TRP A 1 79 ? 2.643 -12.966 -1.084 1.00 0.00 ? 79 TRP A HD1 12 ATOM 18010 H HE1 . TRP A 1 79 ? 1.769 -13.482 -3.449 1.00 0.00 ? 79 TRP A HE1 12 ATOM 18011 H HE3 . TRP A 1 79 ? 5.267 -9.447 -3.705 1.00 0.00 ? 79 TRP A HE3 12 ATOM 18012 H HZ2 . TRP A 1 79 ? 2.143 -12.525 -6.078 1.00 0.00 ? 79 TRP A HZ2 12 ATOM 18013 H HZ3 . TRP A 1 79 ? 4.952 -9.314 -6.142 1.00 0.00 ? 79 TRP A HZ3 12 ATOM 18014 H HH2 . TRP A 1 79 ? 3.423 -10.822 -7.302 1.00 0.00 ? 79 TRP A HH2 12 ATOM 18015 N N . LYS A 1 80 ? 6.924 -12.575 -0.198 1.00 0.00 ? 80 LYS A N 12 ATOM 18016 C CA . LYS A 1 80 ? 7.922 -13.593 -0.504 1.00 0.00 ? 80 LYS A CA 12 ATOM 18017 C C . LYS A 1 80 ? 7.742 -14.817 0.388 1.00 0.00 ? 80 LYS A C 12 ATOM 18018 O O . LYS A 1 80 ? 7.659 -15.945 -0.099 1.00 0.00 ? 80 LYS A O 12 ATOM 18019 C CB . LYS A 1 80 ? 9.332 -13.024 -0.327 1.00 0.00 ? 80 LYS A CB 12 ATOM 18020 C CG . LYS A 1 80 ? 9.557 -11.716 -1.066 1.00 0.00 ? 80 LYS A CG 12 ATOM 18021 C CD . LYS A 1 80 ? 11.021 -11.310 -1.047 1.00 0.00 ? 80 LYS A CD 12 ATOM 18022 C CE . LYS A 1 80 ? 11.343 -10.444 0.161 1.00 0.00 ? 80 LYS A CE 12 ATOM 18023 N NZ . LYS A 1 80 ? 12.804 -10.177 0.278 1.00 0.00 ? 80 LYS A NZ 12 ATOM 18024 H H . LYS A 1 80 ? 7.211 -11.644 -0.084 1.00 0.00 ? 80 LYS A H 12 ATOM 18025 H HA . LYS A 1 80 ? 7.789 -13.889 -1.533 1.00 0.00 ? 80 LYS A HA 12 ATOM 18026 H HB2 . LYS A 1 80 ? 9.510 -12.854 0.725 1.00 0.00 ? 80 LYS A HB2 12 ATOM 18027 H HB3 . LYS A 1 80 ? 10.047 -13.747 -0.692 1.00 0.00 ? 80 LYS A HB3 12 ATOM 18028 H HG2 . LYS A 1 80 ? 9.240 -11.834 -2.092 1.00 0.00 ? 80 LYS A HG2 12 ATOM 18029 H HG3 . LYS A 1 80 ? 8.971 -10.941 -0.593 1.00 0.00 ? 80 LYS A HG3 12 ATOM 18030 H HD2 . LYS A 1 80 ? 11.632 -12.199 -1.012 1.00 0.00 ? 80 LYS A HD2 12 ATOM 18031 H HD3 . LYS A 1 80 ? 11.243 -10.754 -1.947 1.00 0.00 ? 80 LYS A HD3 12 ATOM 18032 H HE2 . LYS A 1 80 ? 10.821 -9.504 0.064 1.00 0.00 ? 80 LYS A HE2 12 ATOM 18033 H HE3 . LYS A 1 80 ? 11.006 -10.952 1.052 1.00 0.00 ? 80 LYS A HE3 12 ATOM 18034 H HZ1 . LYS A 1 80 ? 13.177 -9.829 -0.628 1.00 0.00 ? 80 LYS A HZ1 12 ATOM 18035 H HZ2 . LYS A 1 80 ? 13.307 -11.050 0.535 1.00 0.00 ? 80 LYS A HZ2 12 ATOM 18036 H HZ3 . LYS A 1 80 ? 12.979 -9.460 1.011 1.00 0.00 ? 80 LYS A HZ3 12 ATOM 18037 N N . ARG A 1 81 ? 7.680 -14.588 1.695 1.00 0.00 ? 81 ARG A N 12 ATOM 18038 C CA . ARG A 1 81 ? 7.509 -15.672 2.655 1.00 0.00 ? 81 ARG A CA 12 ATOM 18039 C C . ARG A 1 81 ? 6.133 -16.317 2.507 1.00 0.00 ? 81 ARG A C 12 ATOM 18040 O O . ARG A 1 81 ? 5.983 -17.527 2.672 1.00 0.00 ? 81 ARG A O 12 ATOM 18041 C CB . ARG A 1 81 ? 7.689 -15.153 4.082 1.00 0.00 ? 81 ARG A CB 12 ATOM 18042 C CG . ARG A 1 81 ? 9.086 -14.625 4.366 1.00 0.00 ? 81 ARG A CG 12 ATOM 18043 C CD . ARG A 1 81 ? 9.248 -14.235 5.826 1.00 0.00 ? 81 ARG A CD 12 ATOM 18044 N NE . ARG A 1 81 ? 10.630 -13.891 6.151 1.00 0.00 ? 81 ARG A NE 12 ATOM 18045 C CZ . ARG A 1 81 ? 10.997 -13.327 7.296 1.00 0.00 ? 81 ARG A CZ 12 ATOM 18046 N NH1 . ARG A 1 81 ? 10.090 -13.045 8.221 1.00 0.00 ? 81 ARG A NH1 12 ATOM 18047 N NH2 . ARG A 1 81 ? 12.274 -13.044 7.518 1.00 0.00 ? 81 ARG A NH2 12 ATOM 18048 H H . ARG A 1 81 ? 7.752 -13.667 2.023 1.00 0.00 ? 81 ARG A H 12 ATOM 18049 H HA . ARG A 1 81 ? 8.265 -16.416 2.453 1.00 0.00 ? 81 ARG A HA 12 ATOM 18050 H HB2 . ARG A 1 81 ? 6.985 -14.352 4.254 1.00 0.00 ? 81 ARG A HB2 12 ATOM 18051 H HB3 . ARG A 1 81 ? 7.484 -15.956 4.773 1.00 0.00 ? 81 ARG A HB3 12 ATOM 18052 H HG2 . ARG A 1 81 ? 9.807 -15.394 4.129 1.00 0.00 ? 81 ARG A HG2 12 ATOM 18053 H HG3 . ARG A 1 81 ? 9.266 -13.758 3.748 1.00 0.00 ? 81 ARG A HG3 12 ATOM 18054 H HD2 . ARG A 1 81 ? 8.618 -13.381 6.029 1.00 0.00 ? 81 ARG A HD2 12 ATOM 18055 H HD3 . ARG A 1 81 ? 8.939 -15.065 6.443 1.00 0.00 ? 81 ARG A HD3 12 ATOM 18056 H HE . ARG A 1 81 ? 11.317 -14.090 5.482 1.00 0.00 ? 81 ARG A HE 12 ATOM 18057 H HH11 . ARG A 1 81 ? 9.127 -13.258 8.057 1.00 0.00 ? 81 ARG A HH11 12 ATOM 18058 H HH12 . ARG A 1 81 ? 10.369 -12.621 9.083 1.00 0.00 ? 81 ARG A HH12 12 ATOM 18059 H HH21 . ARG A 1 81 ? 12.961 -13.255 6.824 1.00 0.00 ? 81 ARG A HH21 12 ATOM 18060 H HH22 . ARG A 1 81 ? 12.550 -12.619 8.380 1.00 0.00 ? 81 ARG A HH22 12 ATOM 18061 N N . ALA A 1 82 ? 5.133 -15.499 2.194 1.00 0.00 ? 82 ALA A N 12 ATOM 18062 C CA . ALA A 1 82 ? 3.771 -15.989 2.023 1.00 0.00 ? 82 ALA A CA 12 ATOM 18063 C C . ALA A 1 82 ? 3.669 -16.915 0.815 1.00 0.00 ? 82 ALA A C 12 ATOM 18064 O O . ALA A 1 82 ? 2.721 -17.691 0.693 1.00 0.00 ? 82 ALA A O 12 ATOM 18065 C CB . ALA A 1 82 ? 2.805 -14.823 1.880 1.00 0.00 ? 82 ALA A CB 12 ATOM 18066 H H . ALA A 1 82 ? 5.316 -14.544 2.075 1.00 0.00 ? 82 ALA A H 12 ATOM 18067 H HA . ALA A 1 82 ? 3.501 -16.542 2.911 1.00 0.00 ? 82 ALA A HA 12 ATOM 18068 H HB1 . ALA A 1 82 ? 1.905 -15.160 1.385 1.00 0.00 ? 82 ALA A HB1 12 ATOM 18069 H HB2 . ALA A 1 82 ? 2.556 -14.440 2.858 1.00 0.00 ? 82 ALA A HB2 12 ATOM 18070 H HB3 . ALA A 1 82 ? 3.267 -14.043 1.294 1.00 0.00 ? 82 ALA A HB3 12 ATOM 18071 N N . LYS A 1 83 ? 4.650 -16.827 -0.076 1.00 0.00 ? 83 LYS A N 12 ATOM 18072 C CA . LYS A 1 83 ? 4.672 -17.657 -1.275 1.00 0.00 ? 83 LYS A CA 12 ATOM 18073 C C . LYS A 1 83 ? 4.755 -19.136 -0.912 1.00 0.00 ? 83 LYS A C 12 ATOM 18074 O O . LYS A 1 83 ? 4.019 -19.960 -1.454 1.00 0.00 ? 83 LYS A O 12 ATOM 18075 C CB . LYS A 1 83 ? 5.856 -17.272 -2.166 1.00 0.00 ? 83 LYS A CB 12 ATOM 18076 C CG . LYS A 1 83 ? 5.759 -15.866 -2.731 1.00 0.00 ? 83 LYS A CG 12 ATOM 18077 C CD . LYS A 1 83 ? 5.041 -15.851 -4.071 1.00 0.00 ? 83 LYS A CD 12 ATOM 18078 C CE . LYS A 1 83 ? 5.549 -14.730 -4.963 1.00 0.00 ? 83 LYS A CE 12 ATOM 18079 N NZ . LYS A 1 83 ? 6.857 -15.067 -5.589 1.00 0.00 ? 83 LYS A NZ 12 ATOM 18080 H H . LYS A 1 83 ? 5.379 -16.189 0.076 1.00 0.00 ? 83 LYS A H 12 ATOM 18081 H HA . LYS A 1 83 ? 3.754 -17.482 -1.816 1.00 0.00 ? 83 LYS A HA 12 ATOM 18082 H HB2 . LYS A 1 83 ? 6.764 -17.343 -1.586 1.00 0.00 ? 83 LYS A HB2 12 ATOM 18083 H HB3 . LYS A 1 83 ? 5.910 -17.967 -2.991 1.00 0.00 ? 83 LYS A HB3 12 ATOM 18084 H HG2 . LYS A 1 83 ? 5.214 -15.244 -2.036 1.00 0.00 ? 83 LYS A HG2 12 ATOM 18085 H HG3 . LYS A 1 83 ? 6.757 -15.471 -2.864 1.00 0.00 ? 83 LYS A HG3 12 ATOM 18086 H HD2 . LYS A 1 83 ? 5.207 -16.795 -4.568 1.00 0.00 ? 83 LYS A HD2 12 ATOM 18087 H HD3 . LYS A 1 83 ? 3.983 -15.713 -3.900 1.00 0.00 ? 83 LYS A HD3 12 ATOM 18088 H HE2 . LYS A 1 83 ? 4.823 -14.550 -5.742 1.00 0.00 ? 83 LYS A HE2 12 ATOM 18089 H HE3 . LYS A 1 83 ? 5.664 -13.837 -4.366 1.00 0.00 ? 83 LYS A HE3 12 ATOM 18090 H HZ1 . LYS A 1 83 ? 6.737 -15.212 -6.612 1.00 0.00 ? 83 LYS A HZ1 12 ATOM 18091 H HZ2 . LYS A 1 83 ? 7.239 -15.939 -5.169 1.00 0.00 ? 83 LYS A HZ2 12 ATOM 18092 H HZ3 . LYS A 1 83 ? 7.537 -14.295 -5.436 1.00 0.00 ? 83 LYS A HZ3 12 ATOM 18093 N N . ARG A 1 84 ? 5.655 -19.464 0.009 1.00 0.00 ? 84 ARG A N 12 ATOM 18094 C CA . ARG A 1 84 ? 5.834 -20.844 0.445 1.00 0.00 ? 84 ARG A CA 12 ATOM 18095 C C . ARG A 1 84 ? 4.778 -21.230 1.477 1.00 0.00 ? 84 ARG A C 12 ATOM 18096 O O . ARG A 1 84 ? 4.253 -22.342 1.456 1.00 0.00 ? 84 ARG A O 12 ATOM 18097 C CB . ARG A 1 84 ? 7.233 -21.039 1.033 1.00 0.00 ? 84 ARG A CB 12 ATOM 18098 C CG . ARG A 1 84 ? 7.530 -20.126 2.211 1.00 0.00 ? 84 ARG A CG 12 ATOM 18099 C CD . ARG A 1 84 ? 8.755 -20.594 2.983 1.00 0.00 ? 84 ARG A CD 12 ATOM 18100 N NE . ARG A 1 84 ? 9.397 -19.499 3.706 1.00 0.00 ? 84 ARG A NE 12 ATOM 18101 C CZ . ARG A 1 84 ? 10.044 -18.504 3.109 1.00 0.00 ? 84 ARG A CZ 12 ATOM 18102 N NH1 . ARG A 1 84 ? 10.134 -18.466 1.787 1.00 0.00 ? 84 ARG A NH1 12 ATOM 18103 N NH2 . ARG A 1 84 ? 10.602 -17.544 3.836 1.00 0.00 ? 84 ARG A NH2 12 ATOM 18104 H H . ARG A 1 84 ? 6.213 -18.762 0.405 1.00 0.00 ? 84 ARG A H 12 ATOM 18105 H HA . ARG A 1 84 ? 5.725 -21.482 -0.420 1.00 0.00 ? 84 ARG A HA 12 ATOM 18106 H HB2 . ARG A 1 84 ? 7.332 -22.062 1.364 1.00 0.00 ? 84 ARG A HB2 12 ATOM 18107 H HB3 . ARG A 1 84 ? 7.964 -20.846 0.262 1.00 0.00 ? 84 ARG A HB3 12 ATOM 18108 H HG2 . ARG A 1 84 ? 7.710 -19.126 1.844 1.00 0.00 ? 84 ARG A HG2 12 ATOM 18109 H HG3 . ARG A 1 84 ? 6.678 -20.121 2.874 1.00 0.00 ? 84 ARG A HG3 12 ATOM 18110 H HD2 . ARG A 1 84 ? 8.451 -21.350 3.690 1.00 0.00 ? 84 ARG A HD2 12 ATOM 18111 H HD3 . ARG A 1 84 ? 9.462 -21.017 2.286 1.00 0.00 ? 84 ARG A HD3 12 ATOM 18112 H HE . ARG A 1 84 ? 9.343 -19.508 4.684 1.00 0.00 ? 84 ARG A HE 12 ATOM 18113 H HH11 . ARG A 1 84 ? 9.713 -19.187 1.237 1.00 0.00 ? 84 ARG A HH11 12 ATOM 18114 H HH12 . ARG A 1 84 ? 10.620 -17.715 1.340 1.00 0.00 ? 84 ARG A HH12 12 ATOM 18115 H HH21 . ARG A 1 84 ? 10.537 -17.570 4.833 1.00 0.00 ? 84 ARG A HH21 12 ATOM 18116 H HH22 . ARG A 1 84 ? 11.089 -16.796 3.386 1.00 0.00 ? 84 ARG A HH22 12 ATOM 18117 N N . GLU A 1 85 ? 4.474 -20.302 2.380 1.00 0.00 ? 85 GLU A N 12 ATOM 18118 C CA . GLU A 1 85 ? 3.483 -20.546 3.421 1.00 0.00 ? 85 GLU A CA 12 ATOM 18119 C C . GLU A 1 85 ? 2.130 -20.902 2.811 1.00 0.00 ? 85 GLU A C 12 ATOM 18120 O O . GLU A 1 85 ? 1.408 -21.751 3.332 1.00 0.00 ? 85 GLU A O 12 ATOM 18121 C CB . GLU A 1 85 ? 3.341 -19.316 4.319 1.00 0.00 ? 85 GLU A CB 12 ATOM 18122 C CG . GLU A 1 85 ? 4.661 -18.823 4.889 1.00 0.00 ? 85 GLU A CG 12 ATOM 18123 C CD . GLU A 1 85 ? 4.995 -19.462 6.223 1.00 0.00 ? 85 GLU A CD 12 ATOM 18124 O OE1 . GLU A 1 85 ? 4.543 -20.601 6.466 1.00 0.00 ? 85 GLU A OE1 12 ATOM 18125 O OE2 . GLU A 1 85 ? 5.708 -18.823 7.025 1.00 0.00 ? 85 GLU A OE2 12 ATOM 18126 H H . GLU A 1 85 ? 4.927 -19.434 2.345 1.00 0.00 ? 85 GLU A H 12 ATOM 18127 H HA . GLU A 1 85 ? 3.825 -21.378 4.017 1.00 0.00 ? 85 GLU A HA 12 ATOM 18128 H HB2 . GLU A 1 85 ? 2.899 -18.515 3.746 1.00 0.00 ? 85 GLU A HB2 12 ATOM 18129 H HB3 . GLU A 1 85 ? 2.687 -19.561 5.143 1.00 0.00 ? 85 GLU A HB3 12 ATOM 18130 H HG2 . GLU A 1 85 ? 5.449 -19.055 4.189 1.00 0.00 ? 85 GLU A HG2 12 ATOM 18131 H HG3 . GLU A 1 85 ? 4.603 -17.753 5.024 1.00 0.00 ? 85 GLU A HG3 12 ATOM 18132 N N . GLU A 1 86 ? 1.795 -20.246 1.704 1.00 0.00 ? 86 GLU A N 12 ATOM 18133 C CA . GLU A 1 86 ? 0.529 -20.492 1.024 1.00 0.00 ? 86 GLU A CA 12 ATOM 18134 C C . GLU A 1 86 ? 0.421 -21.950 0.587 1.00 0.00 ? 86 GLU A C 12 ATOM 18135 O O . GLU A 1 86 ? -0.477 -22.674 1.017 1.00 0.00 ? 86 GLU A O 12 ATOM 18136 C CB . GLU A 1 86 ? 0.389 -19.572 -0.191 1.00 0.00 ? 86 GLU A CB 12 ATOM 18137 C CG . GLU A 1 86 ? -1.028 -19.491 -0.733 1.00 0.00 ? 86 GLU A CG 12 ATOM 18138 C CD . GLU A 1 86 ? -1.310 -20.543 -1.787 1.00 0.00 ? 86 GLU A CD 12 ATOM 18139 O OE1 . GLU A 1 86 ? -0.614 -20.547 -2.824 1.00 0.00 ? 86 GLU A OE1 12 ATOM 18140 O OE2 . GLU A 1 86 ? -2.228 -21.364 -1.576 1.00 0.00 ? 86 GLU A OE2 12 ATOM 18141 H H . GLU A 1 86 ? 2.414 -19.580 1.337 1.00 0.00 ? 86 GLU A H 12 ATOM 18142 H HA . GLU A 1 86 ? -0.268 -20.278 1.720 1.00 0.00 ? 86 GLU A HA 12 ATOM 18143 H HB2 . GLU A 1 86 ? 0.704 -18.578 0.088 1.00 0.00 ? 86 GLU A HB2 12 ATOM 18144 H HB3 . GLU A 1 86 ? 1.033 -19.936 -0.978 1.00 0.00 ? 86 GLU A HB3 12 ATOM 18145 H HG2 . GLU A 1 86 ? -1.721 -19.628 0.084 1.00 0.00 ? 86 GLU A HG2 12 ATOM 18146 H HG3 . GLU A 1 86 ? -1.177 -18.515 -1.170 1.00 0.00 ? 86 GLU A HG3 12 ATOM 18147 N N . ARG A 1 87 ? 1.343 -22.374 -0.272 1.00 0.00 ? 87 ARG A N 12 ATOM 18148 C CA . ARG A 1 87 ? 1.351 -23.744 -0.770 1.00 0.00 ? 87 ARG A CA 12 ATOM 18149 C C . ARG A 1 87 ? 1.179 -24.739 0.374 1.00 0.00 ? 87 ARG A C 12 ATOM 18150 O O . ARG A 1 87 ? 0.467 -25.736 0.243 1.00 0.00 ? 87 ARG A O 12 ATOM 18151 C CB . ARG A 1 87 ? 2.655 -24.031 -1.517 1.00 0.00 ? 87 ARG A CB 12 ATOM 18152 C CG . ARG A 1 87 ? 2.591 -23.703 -3.000 1.00 0.00 ? 87 ARG A CG 12 ATOM 18153 C CD . ARG A 1 87 ? 1.902 -24.808 -3.785 1.00 0.00 ? 87 ARG A CD 12 ATOM 18154 N NE . ARG A 1 87 ? 2.830 -25.870 -4.166 1.00 0.00 ? 87 ARG A NE 12 ATOM 18155 C CZ . ARG A 1 87 ? 3.817 -25.704 -5.039 1.00 0.00 ? 87 ARG A CZ 12 ATOM 18156 N NH1 . ARG A 1 87 ? 4.005 -24.525 -5.617 1.00 0.00 ? 87 ARG A NH1 12 ATOM 18157 N NH2 . ARG A 1 87 ? 4.621 -26.718 -5.335 1.00 0.00 ? 87 ARG A NH2 12 ATOM 18158 H H . ARG A 1 87 ? 2.033 -21.750 -0.579 1.00 0.00 ? 87 ARG A H 12 ATOM 18159 H HA . ARG A 1 87 ? 0.523 -23.854 -1.454 1.00 0.00 ? 87 ARG A HA 12 ATOM 18160 H HB2 . ARG A 1 87 ? 3.446 -23.443 -1.075 1.00 0.00 ? 87 ARG A HB2 12 ATOM 18161 H HB3 . ARG A 1 87 ? 2.893 -25.078 -1.411 1.00 0.00 ? 87 ARG A HB3 12 ATOM 18162 H HG2 . ARG A 1 87 ? 2.040 -22.785 -3.133 1.00 0.00 ? 87 ARG A HG2 12 ATOM 18163 H HG3 . ARG A 1 87 ? 3.596 -23.580 -3.375 1.00 0.00 ? 87 ARG A HG3 12 ATOM 18164 H HD2 . ARG A 1 87 ? 1.118 -25.231 -3.174 1.00 0.00 ? 87 ARG A HD2 12 ATOM 18165 H HD3 . ARG A 1 87 ? 1.471 -24.381 -4.678 1.00 0.00 ? 87 ARG A HD3 12 ATOM 18166 H HE . ARG A 1 87 ? 2.710 -26.749 -3.751 1.00 0.00 ? 87 ARG A HE 12 ATOM 18167 H HH11 . ARG A 1 87 ? 3.402 -23.759 -5.395 1.00 0.00 ? 87 ARG A HH11 12 ATOM 18168 H HH12 . ARG A 1 87 ? 4.750 -24.402 -6.273 1.00 0.00 ? 87 ARG A HH12 12 ATOM 18169 H HH21 . ARG A 1 87 ? 4.483 -27.607 -4.901 1.00 0.00 ? 87 ARG A HH21 12 ATOM 18170 H HH22 . ARG A 1 87 ? 5.363 -26.592 -5.992 1.00 0.00 ? 87 ARG A HH22 12 ATOM 18171 N N . LEU A 1 88 ? 1.835 -24.462 1.496 1.00 0.00 ? 88 LEU A N 12 ATOM 18172 C CA . LEU A 1 88 ? 1.755 -25.333 2.664 1.00 0.00 ? 88 LEU A CA 12 ATOM 18173 C C . LEU A 1 88 ? 0.353 -25.312 3.264 1.00 0.00 ? 88 LEU A C 12 ATOM 18174 O O . LEU A 1 88 ? -0.396 -26.283 3.152 1.00 0.00 ? 88 LEU A O 12 ATOM 18175 C CB . LEU A 1 88 ? 2.779 -24.903 3.716 1.00 0.00 ? 88 LEU A CB 12 ATOM 18176 C CG . LEU A 1 88 ? 4.161 -25.550 3.612 1.00 0.00 ? 88 LEU A CG 12 ATOM 18177 C CD1 . LEU A 1 88 ? 4.797 -25.236 2.266 1.00 0.00 ? 88 LEU A CD1 12 ATOM 18178 C CD2 . LEU A 1 88 ? 5.056 -25.081 4.749 1.00 0.00 ? 88 LEU A CD2 12 ATOM 18179 H H . LEU A 1 88 ? 2.386 -23.654 1.541 1.00 0.00 ? 88 LEU A H 12 ATOM 18180 H HA . LEU A 1 88 ? 1.982 -26.339 2.343 1.00 0.00 ? 88 LEU A HA 12 ATOM 18181 H HB2 . LEU A 1 88 ? 2.908 -23.835 3.634 1.00 0.00 ? 88 LEU A HB2 12 ATOM 18182 H HB3 . LEU A 1 88 ? 2.373 -25.142 4.688 1.00 0.00 ? 88 LEU A HB3 12 ATOM 18183 H HG . LEU A 1 88 ? 4.055 -26.623 3.689 1.00 0.00 ? 88 LEU A HG 12 ATOM 18184 H HD11 . LEU A 1 88 ? 5.497 -24.423 2.380 1.00 0.00 ? 88 LEU A HD11 12 ATOM 18185 H HD12 . LEU A 1 88 ? 4.028 -24.955 1.562 1.00 0.00 ? 88 LEU A HD12 12 ATOM 18186 H HD13 . LEU A 1 88 ? 5.316 -26.111 1.902 1.00 0.00 ? 88 LEU A HD13 12 ATOM 18187 H HD21 . LEU A 1 88 ? 5.366 -24.062 4.567 1.00 0.00 ? 88 LEU A HD21 12 ATOM 18188 H HD22 . LEU A 1 88 ? 5.928 -25.717 4.807 1.00 0.00 ? 88 LEU A HD22 12 ATOM 18189 H HD23 . LEU A 1 88 ? 4.511 -25.131 5.680 1.00 0.00 ? 88 LEU A HD23 12 ATOM 18190 N N . LYS A 1 89 ? 0.004 -24.199 3.900 1.00 0.00 ? 89 LYS A N 12 ATOM 18191 C CA . LYS A 1 89 ? -1.309 -24.049 4.515 1.00 0.00 ? 89 LYS A CA 12 ATOM 18192 C C . LYS A 1 89 ? -2.399 -24.637 3.624 1.00 0.00 ? 89 LYS A C 12 ATOM 18193 O O . LYS A 1 89 ? -3.327 -25.285 4.107 1.00 0.00 ? 89 LYS A O 12 ATOM 18194 C CB . LYS A 1 89 ? -1.602 -22.572 4.788 1.00 0.00 ? 89 LYS A CB 12 ATOM 18195 C CG . LYS A 1 89 ? -1.717 -21.732 3.528 1.00 0.00 ? 89 LYS A CG 12 ATOM 18196 C CD . LYS A 1 89 ? -2.085 -20.293 3.849 1.00 0.00 ? 89 LYS A CD 12 ATOM 18197 C CE . LYS A 1 89 ? -3.593 -20.100 3.892 1.00 0.00 ? 89 LYS A CE 12 ATOM 18198 N NZ . LYS A 1 89 ? -4.169 -19.924 2.530 1.00 0.00 ? 89 LYS A NZ 12 ATOM 18199 H H . LYS A 1 89 ? 0.645 -23.460 3.956 1.00 0.00 ? 89 LYS A H 12 ATOM 18200 H HA . LYS A 1 89 ? -1.300 -24.585 5.452 1.00 0.00 ? 89 LYS A HA 12 ATOM 18201 H HB2 . LYS A 1 89 ? -2.531 -22.496 5.333 1.00 0.00 ? 89 LYS A HB2 12 ATOM 18202 H HB3 . LYS A 1 89 ? -0.805 -22.166 5.395 1.00 0.00 ? 89 LYS A HB3 12 ATOM 18203 H HG2 . LYS A 1 89 ? -0.769 -21.742 3.011 1.00 0.00 ? 89 LYS A HG2 12 ATOM 18204 H HG3 . LYS A 1 89 ? -2.481 -22.156 2.892 1.00 0.00 ? 89 LYS A HG3 12 ATOM 18205 H HD2 . LYS A 1 89 ? -1.673 -20.031 4.812 1.00 0.00 ? 89 LYS A HD2 12 ATOM 18206 H HD3 . LYS A 1 89 ? -1.670 -19.646 3.089 1.00 0.00 ? 89 LYS A HD3 12 ATOM 18207 H HE2 . LYS A 1 89 ? -4.041 -20.967 4.353 1.00 0.00 ? 89 LYS A HE2 12 ATOM 18208 H HE3 . LYS A 1 89 ? -3.814 -19.224 4.483 1.00 0.00 ? 89 LYS A HE3 12 ATOM 18209 H HZ1 . LYS A 1 89 ? -3.425 -20.032 1.811 1.00 0.00 ? 89 LYS A HZ1 12 ATOM 18210 H HZ2 . LYS A 1 89 ? -4.588 -18.977 2.438 1.00 0.00 ? 89 LYS A HZ2 12 ATOM 18211 H HZ3 . LYS A 1 89 ? -4.907 -20.636 2.359 1.00 0.00 ? 89 LYS A HZ3 12 ATOM 18212 N N . ALA A 1 90 ? -2.277 -24.409 2.320 1.00 0.00 ? 90 ALA A N 12 ATOM 18213 C CA . ALA A 1 90 ? -3.249 -24.920 1.361 1.00 0.00 ? 90 ALA A CA 12 ATOM 18214 C C . ALA A 1 90 ? -3.181 -26.440 1.268 1.00 0.00 ? 90 ALA A C 12 ATOM 18215 O O . ALA A 1 90 ? -2.209 -27.056 1.705 1.00 0.00 ? 90 ALA A O 12 ATOM 18216 C CB . ALA A 1 90 ? -3.020 -24.294 -0.007 1.00 0.00 ? 90 ALA A CB 12 ATOM 18217 H H . ALA A 1 90 ? -1.515 -23.886 1.995 1.00 0.00 ? 90 ALA A H 12 ATOM 18218 H HA . ALA A 1 90 ? -4.234 -24.634 1.701 1.00 0.00 ? 90 ALA A HA 12 ATOM 18219 H HB1 . ALA A 1 90 ? -1.991 -23.975 -0.088 1.00 0.00 ? 90 ALA A HB1 12 ATOM 18220 H HB2 . ALA A 1 90 ? -3.234 -25.022 -0.775 1.00 0.00 ? 90 ALA A HB2 12 ATOM 18221 H HB3 . ALA A 1 90 ? -3.672 -23.442 -0.126 1.00 0.00 ? 90 ALA A HB3 12 ATOM 18222 N N . HIS A 1 91 ? -4.220 -27.040 0.695 1.00 0.00 ? 91 HIS A N 12 ATOM 18223 C CA . HIS A 1 91 ? -4.278 -28.490 0.545 1.00 0.00 ? 91 HIS A CA 12 ATOM 18224 C C . HIS A 1 91 ? -3.243 -28.973 -0.466 1.00 0.00 ? 91 HIS A C 12 ATOM 18225 O O . HIS A 1 91 ? -3.354 -28.700 -1.662 1.00 0.00 ? 91 HIS A O 12 ATOM 18226 C CB . HIS A 1 91 ? -5.677 -28.923 0.106 1.00 0.00 ? 91 HIS A CB 12 ATOM 18227 C CG . HIS A 1 91 ? -5.764 -30.367 -0.281 1.00 0.00 ? 91 HIS A CG 12 ATOM 18228 N ND1 . HIS A 1 91 ? -5.197 -30.873 -1.432 1.00 0.00 ? 91 HIS A ND1 12 ATOM 18229 C CD2 . HIS A 1 91 ? -6.354 -31.416 0.339 1.00 0.00 ? 91 HIS A CD2 12 ATOM 18230 C CE1 . HIS A 1 91 ? -5.437 -32.171 -1.504 1.00 0.00 ? 91 HIS A CE1 12 ATOM 18231 N NE2 . HIS A 1 91 ? -6.136 -32.525 -0.441 1.00 0.00 ? 91 HIS A NE2 12 ATOM 18232 H H . HIS A 1 91 ? -4.965 -26.495 0.367 1.00 0.00 ? 91 HIS A H 12 ATOM 18233 H HA . HIS A 1 91 ? -4.059 -28.932 1.505 1.00 0.00 ? 91 HIS A HA 12 ATOM 18234 H HB2 . HIS A 1 91 ? -6.370 -28.755 0.917 1.00 0.00 ? 91 HIS A HB2 12 ATOM 18235 H HB3 . HIS A 1 91 ? -5.979 -28.331 -0.747 1.00 0.00 ? 91 HIS A HB3 12 ATOM 18236 H HD1 . HIS A 1 91 ? -4.696 -30.358 -2.097 1.00 0.00 ? 91 HIS A HD1 12 ATOM 18237 H HD2 . HIS A 1 91 ? -6.896 -31.387 1.274 1.00 0.00 ? 91 HIS A HD2 12 ATOM 18238 H HE1 . HIS A 1 91 ? -5.115 -32.830 -2.296 1.00 0.00 ? 91 HIS A HE1 12 ATOM 18239 H HE2 . HIS A 1 91 ? -6.520 -33.413 -0.289 1.00 0.00 ? 91 HIS A HE2 12 ATOM 18240 N N . SER A 1 92 ? -2.236 -29.690 0.022 1.00 0.00 ? 92 SER A N 12 ATOM 18241 C CA . SER A 1 92 ? -1.178 -30.207 -0.839 1.00 0.00 ? 92 SER A CA 12 ATOM 18242 C C . SER A 1 92 ? -1.041 -31.719 -0.683 1.00 0.00 ? 92 SER A C 12 ATOM 18243 O O . SER A 1 92 ? -0.747 -32.218 0.402 1.00 0.00 ? 92 SER A O 12 ATOM 18244 C CB . SER A 1 92 ? 0.152 -29.526 -0.512 1.00 0.00 ? 92 SER A CB 12 ATOM 18245 O OG . SER A 1 92 ? 1.153 -29.886 -1.449 1.00 0.00 ? 92 SER A OG 12 ATOM 18246 H H . SER A 1 92 ? -2.203 -29.874 0.984 1.00 0.00 ? 92 SER A H 12 ATOM 18247 H HA . SER A 1 92 ? -1.445 -29.985 -1.862 1.00 0.00 ? 92 SER A HA 12 ATOM 18248 H HB2 . SER A 1 92 ? 0.021 -28.455 -0.536 1.00 0.00 ? 92 SER A HB2 12 ATOM 18249 H HB3 . SER A 1 92 ? 0.475 -29.827 0.474 1.00 0.00 ? 92 SER A HB3 12 ATOM 18250 H HG . SER A 1 92 ? 1.063 -29.345 -2.237 1.00 0.00 ? 92 SER A HG 12 ATOM 18251 N N . GLY A 1 93 ? -1.256 -32.442 -1.778 1.00 0.00 ? 93 GLY A N 12 ATOM 18252 C CA . GLY A 1 93 ? -1.152 -33.889 -1.742 1.00 0.00 ? 93 GLY A CA 12 ATOM 18253 C C . GLY A 1 93 ? 0.074 -34.365 -0.988 1.00 0.00 ? 93 GLY A C 12 ATOM 18254 O O . GLY A 1 93 ? 0.964 -33.583 -0.652 1.00 0.00 ? 93 GLY A O 12 ATOM 18255 H H . GLY A 1 93 ? -1.487 -31.990 -2.616 1.00 0.00 ? 93 GLY A H 12 ATOM 18256 H HA2 . GLY A 1 93 ? -2.034 -34.291 -1.266 1.00 0.00 ? 93 GLY A HA2 12 ATOM 18257 H HA3 . GLY A 1 93 ? -1.103 -34.260 -2.756 1.00 0.00 ? 93 GLY A HA3 12 ATOM 18258 N N . PRO A 1 94 ? 0.130 -35.675 -0.708 1.00 0.00 ? 94 PRO A N 12 ATOM 18259 C CA . PRO A 1 94 ? 1.251 -36.283 0.016 1.00 0.00 ? 94 PRO A CA 12 ATOM 18260 C C . PRO A 1 94 ? 2.531 -36.304 -0.811 1.00 0.00 ? 94 PRO A C 12 ATOM 18261 O O . PRO A 1 94 ? 2.829 -37.289 -1.487 1.00 0.00 ? 94 PRO A O 12 ATOM 18262 C CB . PRO A 1 94 ? 0.766 -37.709 0.288 1.00 0.00 ? 94 PRO A CB 12 ATOM 18263 C CG . PRO A 1 94 ? -0.230 -37.982 -0.786 1.00 0.00 ? 94 PRO A CG 12 ATOM 18264 C CD . PRO A 1 94 ? -0.896 -36.665 -1.078 1.00 0.00 ? 94 PRO A CD 12 ATOM 18265 H HA . PRO A 1 94 ? 1.437 -35.779 0.953 1.00 0.00 ? 94 PRO A HA 12 ATOM 18266 H HB2 . PRO A 1 94 ? 1.602 -38.392 0.235 1.00 0.00 ? 94 PRO A HB2 12 ATOM 18267 H HB3 . PRO A 1 94 ? 0.314 -37.759 1.267 1.00 0.00 ? 94 PRO A HB3 12 ATOM 18268 H HG2 . PRO A 1 94 ? 0.272 -38.352 -1.667 1.00 0.00 ? 94 PRO A HG2 12 ATOM 18269 H HG3 . PRO A 1 94 ? -0.958 -38.700 -0.438 1.00 0.00 ? 94 PRO A HG3 12 ATOM 18270 H HD2 . PRO A 1 94 ? -1.143 -36.591 -2.127 1.00 0.00 ? 94 PRO A HD2 12 ATOM 18271 H HD3 . PRO A 1 94 ? -1.781 -36.547 -0.471 1.00 0.00 ? 94 PRO A HD3 12 ATOM 18272 N N . SER A 1 95 ? 3.286 -35.212 -0.753 1.00 0.00 ? 95 SER A N 12 ATOM 18273 C CA . SER A 1 95 ? 4.534 -35.104 -1.500 1.00 0.00 ? 95 SER A CA 12 ATOM 18274 C C . SER A 1 95 ? 5.493 -36.229 -1.121 1.00 0.00 ? 95 SER A C 12 ATOM 18275 O O . SER A 1 95 ? 6.083 -36.219 -0.041 1.00 0.00 ? 95 SER A O 12 ATOM 18276 C CB . SER A 1 95 ? 5.194 -33.748 -1.240 1.00 0.00 ? 95 SER A CB 12 ATOM 18277 O OG . SER A 1 95 ? 5.994 -33.351 -2.340 1.00 0.00 ? 95 SER A OG 12 ATOM 18278 H H . SER A 1 95 ? 2.995 -34.459 -0.197 1.00 0.00 ? 95 SER A H 12 ATOM 18279 H HA . SER A 1 95 ? 4.300 -35.185 -2.551 1.00 0.00 ? 95 SER A HA 12 ATOM 18280 H HB2 . SER A 1 95 ? 4.429 -33.004 -1.079 1.00 0.00 ? 95 SER A HB2 12 ATOM 18281 H HB3 . SER A 1 95 ? 5.819 -33.818 -0.361 1.00 0.00 ? 95 SER A HB3 12 ATOM 18282 H HG . SER A 1 95 ? 6.392 -32.498 -2.154 1.00 0.00 ? 95 SER A HG 12 ATOM 18283 N N . SER A 1 96 ? 5.642 -37.198 -2.018 1.00 0.00 ? 96 SER A N 12 ATOM 18284 C CA . SER A 1 96 ? 6.525 -38.334 -1.778 1.00 0.00 ? 96 SER A CA 12 ATOM 18285 C C . SER A 1 96 ? 7.973 -37.971 -2.091 1.00 0.00 ? 96 SER A C 12 ATOM 18286 O O . SER A 1 96 ? 8.309 -37.631 -3.224 1.00 0.00 ? 96 SER A O 12 ATOM 18287 C CB . SER A 1 96 ? 6.093 -39.531 -2.626 1.00 0.00 ? 96 SER A CB 12 ATOM 18288 O OG . SER A 1 96 ? 5.139 -40.324 -1.940 1.00 0.00 ? 96 SER A OG 12 ATOM 18289 H H . SER A 1 96 ? 5.143 -37.150 -2.861 1.00 0.00 ? 96 SER A H 12 ATOM 18290 H HA . SER A 1 96 ? 6.450 -38.597 -0.733 1.00 0.00 ? 96 SER A HA 12 ATOM 18291 H HB2 . SER A 1 96 ? 5.654 -39.178 -3.546 1.00 0.00 ? 96 SER A HB2 12 ATOM 18292 H HB3 . SER A 1 96 ? 6.957 -40.141 -2.849 1.00 0.00 ? 96 SER A HB3 12 ATOM 18293 H HG . SER A 1 96 ? 5.592 -40.927 -1.345 1.00 0.00 ? 96 SER A HG 12 ATOM 18294 N N . GLY A 1 97 ? 8.828 -38.045 -1.075 1.00 0.00 ? 97 GLY A N 12 ATOM 18295 C CA . GLY A 1 97 ? 10.231 -37.722 -1.261 1.00 0.00 ? 97 GLY A CA 12 ATOM 18296 C C . GLY A 1 97 ? 10.447 -36.265 -1.619 1.00 0.00 ? 97 GLY A C 12 ATOM 18297 O O . GLY A 1 97 ? 11.353 -35.935 -2.384 1.00 0.00 ? 97 GLY A O 12 ATOM 18298 H H . GLY A 1 97 ? 8.504 -38.322 -0.192 1.00 0.00 ? 97 GLY A H 12 ATOM 18299 H HA2 . GLY A 1 97 ? 10.763 -37.940 -0.347 1.00 0.00 ? 97 GLY A HA2 12 ATOM 18300 H HA3 . GLY A 1 97 ? 10.628 -38.338 -2.054 1.00 0.00 ? 97 GLY A HA3 12 ATOM 18301 N N . GLY A 1 1 ? -10.761 21.458 0.527 1.00 0.00 ? 1 GLY A N 13 ATOM 18302 C CA . GLY A 1 1 ? -12.045 21.624 -0.128 1.00 0.00 ? 1 GLY A CA 13 ATOM 18303 C C . GLY A 1 1 ? -12.066 22.810 -1.072 1.00 0.00 ? 1 GLY A C 13 ATOM 18304 O O . GLY A 1 1 ? -11.760 22.675 -2.257 1.00 0.00 ? 1 GLY A O 13 ATOM 18305 H H1 . GLY A 1 1 ? -9.975 21.936 0.188 1.00 0.00 ? 1 GLY A H1 13 ATOM 18306 H HA2 . GLY A 1 1 ? -12.270 20.728 -0.688 1.00 0.00 ? 1 GLY A HA2 13 ATOM 18307 H HA3 . GLY A 1 1 ? -12.805 21.765 0.626 1.00 0.00 ? 1 GLY A HA3 13 ATOM 18308 N N . SER A 1 2 ? -12.429 23.976 -0.547 1.00 0.00 ? 2 SER A N 13 ATOM 18309 C CA . SER A 1 2 ? -12.495 25.190 -1.352 1.00 0.00 ? 2 SER A CA 13 ATOM 18310 C C . SER A 1 2 ? -11.495 26.228 -0.851 1.00 0.00 ? 2 SER A C 13 ATOM 18311 O O . SER A 1 2 ? -10.656 26.714 -1.608 1.00 0.00 ? 2 SER A O 13 ATOM 18312 C CB . SER A 1 2 ? -13.909 25.771 -1.322 1.00 0.00 ? 2 SER A CB 13 ATOM 18313 O OG . SER A 1 2 ? -14.848 24.858 -1.864 1.00 0.00 ? 2 SER A OG 13 ATOM 18314 H H . SER A 1 2 ? -12.661 24.019 0.405 1.00 0.00 ? 2 SER A H 13 ATOM 18315 H HA . SER A 1 2 ? -12.244 24.927 -2.368 1.00 0.00 ? 2 SER A HA 13 ATOM 18316 H HB2 . SER A 1 2 ? -14.185 25.989 -0.302 1.00 0.00 ? 2 SER A HB2 13 ATOM 18317 H HB3 . SER A 1 2 ? -13.934 26.681 -1.904 1.00 0.00 ? 2 SER A HB3 13 ATOM 18318 H HG . SER A 1 2 ? -15.047 24.180 -1.214 1.00 0.00 ? 2 SER A HG 13 ATOM 18319 N N . SER A 1 3 ? -11.593 26.563 0.432 1.00 0.00 ? 3 SER A N 13 ATOM 18320 C CA . SER A 1 3 ? -10.701 27.547 1.035 1.00 0.00 ? 3 SER A CA 13 ATOM 18321 C C . SER A 1 3 ? -9.602 26.861 1.841 1.00 0.00 ? 3 SER A C 13 ATOM 18322 O O . SER A 1 3 ? -9.854 26.307 2.910 1.00 0.00 ? 3 SER A O 13 ATOM 18323 C CB . SER A 1 3 ? -11.490 28.499 1.935 1.00 0.00 ? 3 SER A CB 13 ATOM 18324 O OG . SER A 1 3 ? -10.684 29.583 2.363 1.00 0.00 ? 3 SER A OG 13 ATOM 18325 H H . SER A 1 3 ? -12.283 26.141 0.985 1.00 0.00 ? 3 SER A H 13 ATOM 18326 H HA . SER A 1 3 ? -10.245 28.114 0.237 1.00 0.00 ? 3 SER A HA 13 ATOM 18327 H HB2 . SER A 1 3 ? -12.335 28.889 1.388 1.00 0.00 ? 3 SER A HB2 13 ATOM 18328 H HB3 . SER A 1 3 ? -11.841 27.961 2.804 1.00 0.00 ? 3 SER A HB3 13 ATOM 18329 H HG . SER A 1 3 ? -11.162 30.099 3.016 1.00 0.00 ? 3 SER A HG 13 ATOM 18330 N N . GLY A 1 4 ? -8.379 26.903 1.319 1.00 0.00 ? 4 GLY A N 13 ATOM 18331 C CA . GLY A 1 4 ? -7.259 26.283 2.003 1.00 0.00 ? 4 GLY A CA 13 ATOM 18332 C C . GLY A 1 4 ? -6.355 27.298 2.673 1.00 0.00 ? 4 GLY A C 13 ATOM 18333 O O . GLY A 1 4 ? -5.307 27.657 2.135 1.00 0.00 ? 4 GLY A O 13 ATOM 18334 H H . GLY A 1 4 ? -8.237 27.360 0.464 1.00 0.00 ? 4 GLY A H 13 ATOM 18335 H HA2 . GLY A 1 4 ? -7.640 25.605 2.752 1.00 0.00 ? 4 GLY A HA2 13 ATOM 18336 H HA3 . GLY A 1 4 ? -6.681 25.722 1.284 1.00 0.00 ? 4 GLY A HA3 13 ATOM 18337 N N . SER A 1 5 ? -6.760 27.763 3.850 1.00 0.00 ? 5 SER A N 13 ATOM 18338 C CA . SER A 1 5 ? -5.981 28.748 4.592 1.00 0.00 ? 5 SER A CA 13 ATOM 18339 C C . SER A 1 5 ? -4.561 28.246 4.834 1.00 0.00 ? 5 SER A C 13 ATOM 18340 O O . SER A 1 5 ? -3.587 28.946 4.554 1.00 0.00 ? 5 SER A O 13 ATOM 18341 C CB . SER A 1 5 ? -6.657 29.063 5.928 1.00 0.00 ? 5 SER A CB 13 ATOM 18342 O OG . SER A 1 5 ? -6.856 27.884 6.689 1.00 0.00 ? 5 SER A OG 13 ATOM 18343 H H . SER A 1 5 ? -7.605 27.439 4.227 1.00 0.00 ? 5 SER A H 13 ATOM 18344 H HA . SER A 1 5 ? -5.936 29.649 4.000 1.00 0.00 ? 5 SER A HA 13 ATOM 18345 H HB2 . SER A 1 5 ? -6.035 29.741 6.492 1.00 0.00 ? 5 SER A HB2 13 ATOM 18346 H HB3 . SER A 1 5 ? -7.617 29.523 5.743 1.00 0.00 ? 5 SER A HB3 13 ATOM 18347 H HG . SER A 1 5 ? -7.529 27.342 6.271 1.00 0.00 ? 5 SER A HG 13 ATOM 18348 N N . SER A 1 6 ? -4.451 27.029 5.356 1.00 0.00 ? 6 SER A N 13 ATOM 18349 C CA . SER A 1 6 ? -3.150 26.433 5.640 1.00 0.00 ? 6 SER A CA 13 ATOM 18350 C C . SER A 1 6 ? -3.174 24.929 5.386 1.00 0.00 ? 6 SER A C 13 ATOM 18351 O O . SER A 1 6 ? -4.232 24.343 5.160 1.00 0.00 ? 6 SER A O 13 ATOM 18352 C CB . SER A 1 6 ? -2.744 26.711 7.089 1.00 0.00 ? 6 SER A CB 13 ATOM 18353 O OG . SER A 1 6 ? -3.771 26.331 7.988 1.00 0.00 ? 6 SER A OG 13 ATOM 18354 H H . SER A 1 6 ? -5.264 26.520 5.558 1.00 0.00 ? 6 SER A H 13 ATOM 18355 H HA . SER A 1 6 ? -2.427 26.887 4.979 1.00 0.00 ? 6 SER A HA 13 ATOM 18356 H HB2 . SER A 1 6 ? -1.852 26.150 7.324 1.00 0.00 ? 6 SER A HB2 13 ATOM 18357 H HB3 . SER A 1 6 ? -2.548 27.766 7.209 1.00 0.00 ? 6 SER A HB3 13 ATOM 18358 H HG . SER A 1 6 ? -3.790 25.374 8.068 1.00 0.00 ? 6 SER A HG 13 ATOM 18359 N N . GLY A 1 7 ? -1.998 24.310 5.426 1.00 0.00 ? 7 GLY A N 13 ATOM 18360 C CA . GLY A 1 7 ? -1.905 22.879 5.198 1.00 0.00 ? 7 GLY A CA 13 ATOM 18361 C C . GLY A 1 7 ? -2.300 22.490 3.787 1.00 0.00 ? 7 GLY A C 13 ATOM 18362 O O . GLY A 1 7 ? -2.772 23.324 3.015 1.00 0.00 ? 7 GLY A O 13 ATOM 18363 H H . GLY A 1 7 ? -1.187 24.828 5.611 1.00 0.00 ? 7 GLY A H 13 ATOM 18364 H HA2 . GLY A 1 7 ? -0.889 22.563 5.376 1.00 0.00 ? 7 GLY A HA2 13 ATOM 18365 H HA3 . GLY A 1 7 ? -2.557 22.372 5.894 1.00 0.00 ? 7 GLY A HA3 13 ATOM 18366 N N . MET A 1 8 ? -2.106 21.220 3.449 1.00 0.00 ? 8 MET A N 13 ATOM 18367 C CA . MET A 1 8 ? -2.445 20.722 2.121 1.00 0.00 ? 8 MET A CA 13 ATOM 18368 C C . MET A 1 8 ? -3.677 19.823 2.175 1.00 0.00 ? 8 MET A C 13 ATOM 18369 O O . MET A 1 8 ? -3.615 18.650 1.809 1.00 0.00 ? 8 MET A O 13 ATOM 18370 C CB . MET A 1 8 ? -1.265 19.954 1.523 1.00 0.00 ? 8 MET A CB 13 ATOM 18371 C CG . MET A 1 8 ? -0.068 20.834 1.202 1.00 0.00 ? 8 MET A CG 13 ATOM 18372 S SD . MET A 1 8 ? 1.358 19.887 0.634 1.00 0.00 ? 8 MET A SD 13 ATOM 18373 C CE . MET A 1 8 ? 1.047 19.833 -1.129 1.00 0.00 ? 8 MET A CE 13 ATOM 18374 H H . MET A 1 8 ? -1.727 20.601 4.108 1.00 0.00 ? 8 MET A H 13 ATOM 18375 H HA . MET A 1 8 ? -2.663 21.574 1.494 1.00 0.00 ? 8 MET A HA 13 ATOM 18376 H HB2 . MET A 1 8 ? -0.950 19.198 2.226 1.00 0.00 ? 8 MET A HB2 13 ATOM 18377 H HB3 . MET A 1 8 ? -1.586 19.475 0.611 1.00 0.00 ? 8 MET A HB3 13 ATOM 18378 H HG2 . MET A 1 8 ? -0.348 21.533 0.429 1.00 0.00 ? 8 MET A HG2 13 ATOM 18379 H HG3 . MET A 1 8 ? 0.210 21.378 2.093 1.00 0.00 ? 8 MET A HG3 13 ATOM 18380 H HE1 . MET A 1 8 ? 0.445 20.682 -1.415 1.00 0.00 ? 8 MET A HE1 13 ATOM 18381 H HE2 . MET A 1 8 ? 1.986 19.861 -1.661 1.00 0.00 ? 8 MET A HE2 13 ATOM 18382 H HE3 . MET A 1 8 ? 0.522 18.921 -1.374 1.00 0.00 ? 8 MET A HE3 13 ATOM 18383 N N . GLU A 1 9 ? -4.792 20.382 2.634 1.00 0.00 ? 9 GLU A N 13 ATOM 18384 C CA . GLU A 1 9 ? -6.037 19.629 2.736 1.00 0.00 ? 9 GLU A CA 13 ATOM 18385 C C . GLU A 1 9 ? -6.588 19.298 1.352 1.00 0.00 ? 9 GLU A C 13 ATOM 18386 O O . GLU A 1 9 ? -7.545 19.916 0.889 1.00 0.00 ? 9 GLU A O 13 ATOM 18387 C CB . GLU A 1 9 ? -7.074 20.421 3.535 1.00 0.00 ? 9 GLU A CB 13 ATOM 18388 C CG . GLU A 1 9 ? -6.628 20.755 4.948 1.00 0.00 ? 9 GLU A CG 13 ATOM 18389 C CD . GLU A 1 9 ? -7.757 21.299 5.802 1.00 0.00 ? 9 GLU A CD 13 ATOM 18390 O OE1 . GLU A 1 9 ? -8.509 20.487 6.380 1.00 0.00 ? 9 GLU A OE1 13 ATOM 18391 O OE2 . GLU A 1 9 ? -7.888 22.538 5.893 1.00 0.00 ? 9 GLU A OE2 13 ATOM 18392 H H . GLU A 1 9 ? -4.778 21.322 2.910 1.00 0.00 ? 9 GLU A H 13 ATOM 18393 H HA . GLU A 1 9 ? -5.824 18.706 3.256 1.00 0.00 ? 9 GLU A HA 13 ATOM 18394 H HB2 . GLU A 1 9 ? -7.281 21.345 3.016 1.00 0.00 ? 9 GLU A HB2 13 ATOM 18395 H HB3 . GLU A 1 9 ? -7.983 19.841 3.594 1.00 0.00 ? 9 GLU A HB3 13 ATOM 18396 H HG2 . GLU A 1 9 ? -6.246 19.859 5.413 1.00 0.00 ? 9 GLU A HG2 13 ATOM 18397 H HG3 . GLU A 1 9 ? -5.845 21.497 4.899 1.00 0.00 ? 9 GLU A HG3 13 ATOM 18398 N N . GLY A 1 10 ? -5.975 18.317 0.696 1.00 0.00 ? 10 GLY A N 13 ATOM 18399 C CA . GLY A 1 10 ? -6.417 17.921 -0.628 1.00 0.00 ? 10 GLY A CA 13 ATOM 18400 C C . GLY A 1 10 ? -5.664 16.715 -1.154 1.00 0.00 ? 10 GLY A C 13 ATOM 18401 O O . GLY A 1 10 ? -6.191 15.603 -1.208 1.00 0.00 ? 10 GLY A O 13 ATOM 18402 H H . GLY A 1 10 ? -5.216 17.859 1.115 1.00 0.00 ? 10 GLY A H 13 ATOM 18403 H HA2 . GLY A 1 10 ? -7.470 17.686 -0.589 1.00 0.00 ? 10 GLY A HA2 13 ATOM 18404 H HA3 . GLY A 1 10 ? -6.267 18.748 -1.307 1.00 0.00 ? 10 GLY A HA3 13 ATOM 18405 N N . PRO A 1 11 ? -4.402 16.928 -1.555 1.00 0.00 ? 11 PRO A N 13 ATOM 18406 C CA . PRO A 1 11 ? -3.550 15.861 -2.087 1.00 0.00 ? 11 PRO A CA 13 ATOM 18407 C C . PRO A 1 11 ? -3.142 14.856 -1.016 1.00 0.00 ? 11 PRO A C 13 ATOM 18408 O O . PRO A 1 11 ? -2.529 13.830 -1.314 1.00 0.00 ? 11 PRO A O 13 ATOM 18409 C CB . PRO A 1 11 ? -2.323 16.614 -2.608 1.00 0.00 ? 11 PRO A CB 13 ATOM 18410 C CG . PRO A 1 11 ? -2.279 17.868 -1.804 1.00 0.00 ? 11 PRO A CG 13 ATOM 18411 C CD . PRO A 1 11 ? -3.711 18.228 -1.519 1.00 0.00 ? 11 PRO A CD 13 ATOM 18412 H HA . PRO A 1 11 ? -4.028 15.342 -2.904 1.00 0.00 ? 11 PRO A HA 13 ATOM 18413 H HB2 . PRO A 1 11 ? -1.437 16.014 -2.454 1.00 0.00 ? 11 PRO A HB2 13 ATOM 18414 H HB3 . PRO A 1 11 ? -2.444 16.824 -3.660 1.00 0.00 ? 11 PRO A HB3 13 ATOM 18415 H HG2 . PRO A 1 11 ? -1.745 17.695 -0.882 1.00 0.00 ? 11 PRO A HG2 13 ATOM 18416 H HG3 . PRO A 1 11 ? -1.802 18.652 -2.374 1.00 0.00 ? 11 PRO A HG3 13 ATOM 18417 H HD2 . PRO A 1 11 ? -3.798 18.684 -0.544 1.00 0.00 ? 11 PRO A HD2 13 ATOM 18418 H HD3 . PRO A 1 11 ? -4.093 18.888 -2.283 1.00 0.00 ? 11 PRO A HD3 13 ATOM 18419 N N . LEU A 1 12 ? -3.488 15.155 0.231 1.00 0.00 ? 12 LEU A N 13 ATOM 18420 C CA . LEU A 1 12 ? -3.159 14.275 1.348 1.00 0.00 ? 12 LEU A CA 13 ATOM 18421 C C . LEU A 1 12 ? -4.210 13.182 1.509 1.00 0.00 ? 12 LEU A C 13 ATOM 18422 O O . LEU A 1 12 ? -3.880 12.019 1.734 1.00 0.00 ? 12 LEU A O 13 ATOM 18423 C CB . LEU A 1 12 ? -3.044 15.083 2.642 1.00 0.00 ? 12 LEU A CB 13 ATOM 18424 C CG . LEU A 1 12 ? -1.729 15.834 2.851 1.00 0.00 ? 12 LEU A CG 13 ATOM 18425 C CD1 . LEU A 1 12 ? -1.851 16.815 4.006 1.00 0.00 ? 12 LEU A CD1 13 ATOM 18426 C CD2 . LEU A 1 12 ? -0.590 14.856 3.098 1.00 0.00 ? 12 LEU A CD2 13 ATOM 18427 H H . LEU A 1 12 ? -3.976 15.986 0.407 1.00 0.00 ? 12 LEU A H 13 ATOM 18428 H HA . LEU A 1 12 ? -2.206 13.814 1.136 1.00 0.00 ? 12 LEU A HA 13 ATOM 18429 H HB2 . LEU A 1 12 ? -3.844 15.808 2.651 1.00 0.00 ? 12 LEU A HB2 13 ATOM 18430 H HB3 . LEU A 1 12 ? -3.171 14.400 3.470 1.00 0.00 ? 12 LEU A HB3 13 ATOM 18431 H HG . LEU A 1 12 ? -1.498 16.398 1.957 1.00 0.00 ? 12 LEU A HG 13 ATOM 18432 H HD11 . LEU A 1 12 ? -0.989 17.464 4.020 1.00 0.00 ? 12 LEU A HD11 13 ATOM 18433 H HD12 . LEU A 1 12 ? -1.907 16.270 4.937 1.00 0.00 ? 12 LEU A HD12 13 ATOM 18434 H HD13 . LEU A 1 12 ? -2.747 17.407 3.882 1.00 0.00 ? 12 LEU A HD13 13 ATOM 18435 H HD21 . LEU A 1 12 ? -0.549 14.140 2.290 1.00 0.00 ? 12 LEU A HD21 13 ATOM 18436 H HD22 . LEU A 1 12 ? -0.758 14.336 4.030 1.00 0.00 ? 12 LEU A HD22 13 ATOM 18437 H HD23 . LEU A 1 12 ? 0.344 15.396 3.149 1.00 0.00 ? 12 LEU A HD23 13 ATOM 18438 N N . ASN A 1 13 ? -5.477 13.565 1.390 1.00 0.00 ? 13 ASN A N 13 ATOM 18439 C CA . ASN A 1 13 ? -6.578 12.617 1.520 1.00 0.00 ? 13 ASN A CA 13 ATOM 18440 C C . ASN A 1 13 ? -6.608 11.652 0.339 1.00 0.00 ? 13 ASN A C 13 ATOM 18441 O O . ASN A 1 13 ? -6.852 10.456 0.505 1.00 0.00 ? 13 ASN A O 13 ATOM 18442 C CB . ASN A 1 13 ? -7.911 13.361 1.619 1.00 0.00 ? 13 ASN A CB 13 ATOM 18443 C CG . ASN A 1 13 ? -9.084 12.421 1.819 1.00 0.00 ? 13 ASN A CG 13 ATOM 18444 O OD1 . ASN A 1 13 ? -8.920 11.297 2.293 1.00 0.00 ? 13 ASN A OD1 13 ATOM 18445 N ND2 . ASN A 1 13 ? -10.277 12.879 1.457 1.00 0.00 ? 13 ASN A ND2 13 ATOM 18446 H H . ASN A 1 13 ? -5.678 14.507 1.210 1.00 0.00 ? 13 ASN A H 13 ATOM 18447 H HA . ASN A 1 13 ? -6.423 12.052 2.427 1.00 0.00 ? 13 ASN A HA 13 ATOM 18448 H HB2 . ASN A 1 13 ? -7.874 14.043 2.457 1.00 0.00 ? 13 ASN A HB2 13 ATOM 18449 H HB3 . ASN A 1 13 ? -8.072 13.922 0.711 1.00 0.00 ? 13 ASN A HB3 13 ATOM 18450 H HD21 . ASN A 1 13 ? -10.332 13.785 1.086 1.00 0.00 ? 13 ASN A HD21 13 ATOM 18451 H HD22 . ASN A 1 13 ? -11.053 12.293 1.575 1.00 0.00 ? 13 ASN A HD22 13 ATOM 18452 N N . LEU A 1 14 ? -6.356 12.179 -0.855 1.00 0.00 ? 14 LEU A N 13 ATOM 18453 C CA . LEU A 1 14 ? -6.353 11.366 -2.065 1.00 0.00 ? 14 LEU A CA 13 ATOM 18454 C C . LEU A 1 14 ? -5.494 10.119 -1.881 1.00 0.00 ? 14 LEU A C 13 ATOM 18455 O O . LEU A 1 14 ? -5.883 9.021 -2.277 1.00 0.00 ? 14 LEU A O 13 ATOM 18456 C CB . LEU A 1 14 ? -5.839 12.183 -3.252 1.00 0.00 ? 14 LEU A CB 13 ATOM 18457 C CG . LEU A 1 14 ? -6.888 12.994 -4.013 1.00 0.00 ? 14 LEU A CG 13 ATOM 18458 C CD1 . LEU A 1 14 ? -6.233 14.141 -4.766 1.00 0.00 ? 14 LEU A CD1 13 ATOM 18459 C CD2 . LEU A 1 14 ? -7.662 12.099 -4.971 1.00 0.00 ? 14 LEU A CD2 13 ATOM 18460 H H . LEU A 1 14 ? -6.168 13.138 -0.924 1.00 0.00 ? 14 LEU A H 13 ATOM 18461 H HA . LEU A 1 14 ? -7.370 11.061 -2.262 1.00 0.00 ? 14 LEU A HA 13 ATOM 18462 H HB2 . LEU A 1 14 ? -5.095 12.871 -2.881 1.00 0.00 ? 14 LEU A HB2 13 ATOM 18463 H HB3 . LEU A 1 14 ? -5.378 11.498 -3.949 1.00 0.00 ? 14 LEU A HB3 13 ATOM 18464 H HG . LEU A 1 14 ? -7.590 13.416 -3.307 1.00 0.00 ? 14 LEU A HG 13 ATOM 18465 H HD11 . LEU A 1 14 ? -6.874 15.009 -4.727 1.00 0.00 ? 14 LEU A HD11 13 ATOM 18466 H HD12 . LEU A 1 14 ? -6.077 13.854 -5.795 1.00 0.00 ? 14 LEU A HD12 13 ATOM 18467 H HD13 . LEU A 1 14 ? -5.282 14.375 -4.309 1.00 0.00 ? 14 LEU A HD13 13 ATOM 18468 H HD21 . LEU A 1 14 ? -8.216 11.363 -4.406 1.00 0.00 ? 14 LEU A HD21 13 ATOM 18469 H HD22 . LEU A 1 14 ? -6.971 11.599 -5.634 1.00 0.00 ? 14 LEU A HD22 13 ATOM 18470 H HD23 . LEU A 1 14 ? -8.347 12.699 -5.550 1.00 0.00 ? 14 LEU A HD23 13 ATOM 18471 N N . ALA A 1 15 ? -4.324 10.297 -1.276 1.00 0.00 ? 15 ALA A N 13 ATOM 18472 C CA . ALA A 1 15 ? -3.412 9.186 -1.036 1.00 0.00 ? 15 ALA A CA 13 ATOM 18473 C C . ALA A 1 15 ? -3.987 8.215 -0.010 1.00 0.00 ? 15 ALA A C 13 ATOM 18474 O O . ALA A 1 15 ? -3.659 7.028 -0.011 1.00 0.00 ? 15 ALA A O 13 ATOM 18475 C CB . ALA A 1 15 ? -2.058 9.705 -0.574 1.00 0.00 ? 15 ALA A CB 13 ATOM 18476 H H . ALA A 1 15 ? -4.070 11.196 -0.983 1.00 0.00 ? 15 ALA A H 13 ATOM 18477 H HA . ALA A 1 15 ? -3.269 8.663 -1.970 1.00 0.00 ? 15 ALA A HA 13 ATOM 18478 H HB1 . ALA A 1 15 ? -1.889 9.405 0.451 1.00 0.00 ? 15 ALA A HB1 13 ATOM 18479 H HB2 . ALA A 1 15 ? -1.282 9.295 -1.202 1.00 0.00 ? 15 ALA A HB2 13 ATOM 18480 H HB3 . ALA A 1 15 ? -2.045 10.783 -0.640 1.00 0.00 ? 15 ALA A HB3 13 ATOM 18481 N N . HIS A 1 16 ? -4.846 8.727 0.866 1.00 0.00 ? 16 HIS A N 13 ATOM 18482 C CA . HIS A 1 16 ? -5.467 7.905 1.899 1.00 0.00 ? 16 HIS A CA 13 ATOM 18483 C C . HIS A 1 16 ? -6.511 6.971 1.294 1.00 0.00 ? 16 HIS A C 13 ATOM 18484 O O . HIS A 1 16 ? -6.572 5.791 1.636 1.00 0.00 ? 16 HIS A O 13 ATOM 18485 C CB . HIS A 1 16 ? -6.113 8.790 2.965 1.00 0.00 ? 16 HIS A CB 13 ATOM 18486 C CG . HIS A 1 16 ? -5.150 9.722 3.634 1.00 0.00 ? 16 HIS A CG 13 ATOM 18487 N ND1 . HIS A 1 16 ? -5.545 10.712 4.508 1.00 0.00 ? 16 HIS A ND1 13 ATOM 18488 C CD2 . HIS A 1 16 ? -3.802 9.809 3.554 1.00 0.00 ? 16 HIS A CD2 13 ATOM 18489 C CE1 . HIS A 1 16 ? -4.482 11.369 4.936 1.00 0.00 ? 16 HIS A CE1 13 ATOM 18490 N NE2 . HIS A 1 16 ? -3.411 10.841 4.372 1.00 0.00 ? 16 HIS A NE2 13 ATOM 18491 H H . HIS A 1 16 ? -5.068 9.680 0.816 1.00 0.00 ? 16 HIS A H 13 ATOM 18492 H HA . HIS A 1 16 ? -4.693 7.310 2.358 1.00 0.00 ? 16 HIS A HA 13 ATOM 18493 H HB2 . HIS A 1 16 ? -6.887 9.387 2.507 1.00 0.00 ? 16 HIS A HB2 13 ATOM 18494 H HB3 . HIS A 1 16 ? -6.552 8.162 3.727 1.00 0.00 ? 16 HIS A HB3 13 ATOM 18495 H HD1 . HIS A 1 16 ? -6.468 10.906 4.775 1.00 0.00 ? 16 HIS A HD1 13 ATOM 18496 H HD2 . HIS A 1 16 ? -3.152 9.184 2.957 1.00 0.00 ? 16 HIS A HD2 13 ATOM 18497 H HE1 . HIS A 1 16 ? -4.486 12.197 5.629 1.00 0.00 ? 16 HIS A HE1 13 ATOM 18498 H HE2 . HIS A 1 16 ? -2.500 11.193 4.449 1.00 0.00 ? 16 HIS A HE2 13 ATOM 18499 N N . GLN A 1 17 ? -7.330 7.509 0.396 1.00 0.00 ? 17 GLN A N 13 ATOM 18500 C CA . GLN A 1 17 ? -8.372 6.723 -0.254 1.00 0.00 ? 17 GLN A CA 13 ATOM 18501 C C . GLN A 1 17 ? -7.840 5.358 -0.678 1.00 0.00 ? 17 GLN A C 13 ATOM 18502 O O . GLN A 1 17 ? -8.412 4.325 -0.332 1.00 0.00 ? 17 GLN A O 13 ATOM 18503 C CB . GLN A 1 17 ? -8.920 7.471 -1.471 1.00 0.00 ? 17 GLN A CB 13 ATOM 18504 C CG . GLN A 1 17 ? -9.717 8.715 -1.112 1.00 0.00 ? 17 GLN A CG 13 ATOM 18505 C CD . GLN A 1 17 ? -9.697 9.758 -2.213 1.00 0.00 ? 17 GLN A CD 13 ATOM 18506 O OE1 . GLN A 1 17 ? -9.424 9.448 -3.373 1.00 0.00 ? 17 GLN A OE1 13 ATOM 18507 N NE2 . GLN A 1 17 ? -9.988 11.003 -1.854 1.00 0.00 ? 17 GLN A NE2 13 ATOM 18508 H H . GLN A 1 17 ? -7.231 8.456 0.165 1.00 0.00 ? 17 GLN A H 13 ATOM 18509 H HA . GLN A 1 17 ? -9.170 6.579 0.458 1.00 0.00 ? 17 GLN A HA 13 ATOM 18510 H HB2 . GLN A 1 17 ? -8.093 7.767 -2.099 1.00 0.00 ? 17 GLN A HB2 13 ATOM 18511 H HB3 . GLN A 1 17 ? -9.563 6.806 -2.027 1.00 0.00 ? 17 GLN A HB3 13 ATOM 18512 H HG2 . GLN A 1 17 ? -10.741 8.429 -0.927 1.00 0.00 ? 17 GLN A HG2 13 ATOM 18513 H HG3 . GLN A 1 17 ? -9.297 9.149 -0.217 1.00 0.00 ? 17 GLN A HG3 13 ATOM 18514 H HE21 . GLN A 1 17 ? -10.195 11.176 -0.911 1.00 0.00 ? 17 GLN A HE21 13 ATOM 18515 H HE22 . GLN A 1 17 ? -9.982 11.697 -2.545 1.00 0.00 ? 17 GLN A HE22 13 ATOM 18516 N N . GLN A 1 18 ? -6.744 5.363 -1.429 1.00 0.00 ? 18 GLN A N 13 ATOM 18517 C CA . GLN A 1 18 ? -6.136 4.125 -1.901 1.00 0.00 ? 18 GLN A CA 13 ATOM 18518 C C . GLN A 1 18 ? -5.566 3.320 -0.738 1.00 0.00 ? 18 GLN A C 13 ATOM 18519 O O . GLN A 1 18 ? -5.870 2.138 -0.580 1.00 0.00 ? 18 GLN A O 13 ATOM 18520 C CB . GLN A 1 18 ? -5.032 4.428 -2.916 1.00 0.00 ? 18 GLN A CB 13 ATOM 18521 C CG . GLN A 1 18 ? -5.545 5.048 -4.206 1.00 0.00 ? 18 GLN A CG 13 ATOM 18522 C CD . GLN A 1 18 ? -6.066 4.013 -5.184 1.00 0.00 ? 18 GLN A CD 13 ATOM 18523 O OE1 . GLN A 1 18 ? -6.402 2.893 -4.800 1.00 0.00 ? 18 GLN A OE1 13 ATOM 18524 N NE2 . GLN A 1 18 ? -6.138 4.385 -6.457 1.00 0.00 ? 18 GLN A NE2 13 ATOM 18525 H H . GLN A 1 18 ? -6.334 6.219 -1.672 1.00 0.00 ? 18 GLN A H 13 ATOM 18526 H HA . GLN A 1 18 ? -6.905 3.541 -2.383 1.00 0.00 ? 18 GLN A HA 13 ATOM 18527 H HB2 . GLN A 1 18 ? -4.326 5.111 -2.469 1.00 0.00 ? 18 GLN A HB2 13 ATOM 18528 H HB3 . GLN A 1 18 ? -4.524 3.507 -3.163 1.00 0.00 ? 18 GLN A HB3 13 ATOM 18529 H HG2 . GLN A 1 18 ? -6.347 5.731 -3.968 1.00 0.00 ? 18 GLN A HG2 13 ATOM 18530 H HG3 . GLN A 1 18 ? -4.738 5.591 -4.675 1.00 0.00 ? 18 GLN A HG3 13 ATOM 18531 H HE21 . GLN A 1 18 ? -5.852 5.293 -6.690 1.00 0.00 ? 18 GLN A HE21 13 ATOM 18532 H HE22 . GLN A 1 18 ? -6.470 3.736 -7.110 1.00 0.00 ? 18 GLN A HE22 13 ATOM 18533 N N . SER A 1 19 ? -4.737 3.969 0.074 1.00 0.00 ? 19 SER A N 13 ATOM 18534 C CA . SER A 1 19 ? -4.121 3.312 1.221 1.00 0.00 ? 19 SER A CA 13 ATOM 18535 C C . SER A 1 19 ? -5.138 2.451 1.965 1.00 0.00 ? 19 SER A C 13 ATOM 18536 O O . SER A 1 19 ? -4.796 1.403 2.513 1.00 0.00 ? 19 SER A O 13 ATOM 18537 C CB . SER A 1 19 ? -3.525 4.353 2.172 1.00 0.00 ? 19 SER A CB 13 ATOM 18538 O OG . SER A 1 19 ? -2.945 3.733 3.307 1.00 0.00 ? 19 SER A OG 13 ATOM 18539 H H . SER A 1 19 ? -4.534 4.911 -0.104 1.00 0.00 ? 19 SER A H 13 ATOM 18540 H HA . SER A 1 19 ? -3.329 2.677 0.854 1.00 0.00 ? 19 SER A HA 13 ATOM 18541 H HB2 . SER A 1 19 ? -2.762 4.914 1.654 1.00 0.00 ? 19 SER A HB2 13 ATOM 18542 H HB3 . SER A 1 19 ? -4.305 5.024 2.501 1.00 0.00 ? 19 SER A HB3 13 ATOM 18543 H HG . SER A 1 19 ? -2.455 2.955 3.031 1.00 0.00 ? 19 SER A HG 13 ATOM 18544 N N . ARG A 1 20 ? -6.388 2.902 1.979 1.00 0.00 ? 20 ARG A N 13 ATOM 18545 C CA . ARG A 1 20 ? -7.454 2.174 2.656 1.00 0.00 ? 20 ARG A CA 13 ATOM 18546 C C . ARG A 1 20 ? -7.784 0.881 1.917 1.00 0.00 ? 20 ARG A C 13 ATOM 18547 O O . ARG A 1 20 ? -7.983 -0.165 2.535 1.00 0.00 ? 20 ARG A O 13 ATOM 18548 C CB . ARG A 1 20 ? -8.707 3.046 2.763 1.00 0.00 ? 20 ARG A CB 13 ATOM 18549 C CG . ARG A 1 20 ? -8.587 4.160 3.790 1.00 0.00 ? 20 ARG A CG 13 ATOM 18550 C CD . ARG A 1 20 ? -9.898 4.915 3.950 1.00 0.00 ? 20 ARG A CD 13 ATOM 18551 N NE . ARG A 1 20 ? -10.765 4.301 4.952 1.00 0.00 ? 20 ARG A NE 13 ATOM 18552 C CZ . ARG A 1 20 ? -10.558 4.398 6.260 1.00 0.00 ? 20 ARG A CZ 13 ATOM 18553 N NH1 . ARG A 1 20 ? -9.520 5.081 6.722 1.00 0.00 ? 20 ARG A NH1 13 ATOM 18554 N NH2 . ARG A 1 20 ? -11.392 3.811 7.110 1.00 0.00 ? 20 ARG A NH2 13 ATOM 18555 H H . ARG A 1 20 ? -6.598 3.744 1.524 1.00 0.00 ? 20 ARG A H 13 ATOM 18556 H HA . ARG A 1 20 ? -7.111 1.930 3.650 1.00 0.00 ? 20 ARG A HA 13 ATOM 18557 H HB2 . ARG A 1 20 ? -8.904 3.494 1.800 1.00 0.00 ? 20 ARG A HB2 13 ATOM 18558 H HB3 . ARG A 1 20 ? -9.543 2.421 3.038 1.00 0.00 ? 20 ARG A HB3 13 ATOM 18559 H HG2 . ARG A 1 20 ? -8.314 3.732 4.743 1.00 0.00 ? 20 ARG A HG2 13 ATOM 18560 H HG3 . ARG A 1 20 ? -7.821 4.851 3.471 1.00 0.00 ? 20 ARG A HG3 13 ATOM 18561 H HD2 . ARG A 1 20 ? -9.680 5.929 4.249 1.00 0.00 ? 20 ARG A HD2 13 ATOM 18562 H HD3 . ARG A 1 20 ? -10.411 4.922 2.999 1.00 0.00 ? 20 ARG A HD3 13 ATOM 18563 H HE . ARG A 1 20 ? -11.538 3.791 4.632 1.00 0.00 ? 20 ARG A HE 13 ATOM 18564 H HH11 . ARG A 1 20 ? -8.891 5.525 6.085 1.00 0.00 ? 20 ARG A HH11 13 ATOM 18565 H HH12 . ARG A 1 20 ? -9.368 5.154 7.708 1.00 0.00 ? 20 ARG A HH12 13 ATOM 18566 H HH21 . ARG A 1 20 ? -12.176 3.295 6.765 1.00 0.00 ? 20 ARG A HH21 13 ATOM 18567 H HH22 . ARG A 1 20 ? -11.236 3.884 8.094 1.00 0.00 ? 20 ARG A HH22 13 ATOM 18568 N N . ARG A 1 21 ? -7.841 0.960 0.592 1.00 0.00 ? 21 ARG A N 13 ATOM 18569 C CA . ARG A 1 21 ? -8.148 -0.203 -0.231 1.00 0.00 ? 21 ARG A CA 13 ATOM 18570 C C . ARG A 1 21 ? -7.092 -1.290 -0.052 1.00 0.00 ? 21 ARG A C 13 ATOM 18571 O O . ARG A 1 21 ? -7.417 -2.467 0.098 1.00 0.00 ? 21 ARG A O 13 ATOM 18572 C CB . ARG A 1 21 ? -8.238 0.197 -1.705 1.00 0.00 ? 21 ARG A CB 13 ATOM 18573 C CG . ARG A 1 21 ? -8.528 -0.968 -2.636 1.00 0.00 ? 21 ARG A CG 13 ATOM 18574 C CD . ARG A 1 21 ? -8.688 -0.505 -4.076 1.00 0.00 ? 21 ARG A CD 13 ATOM 18575 N NE . ARG A 1 21 ? -8.518 -1.601 -5.026 1.00 0.00 ? 21 ARG A NE 13 ATOM 18576 C CZ . ARG A 1 21 ? -8.469 -1.432 -6.342 1.00 0.00 ? 21 ARG A CZ 13 ATOM 18577 N NH1 . ARG A 1 21 ? -8.576 -0.216 -6.862 1.00 0.00 ? 21 ARG A NH1 13 ATOM 18578 N NH2 . ARG A 1 21 ? -8.312 -2.479 -7.142 1.00 0.00 ? 21 ARG A NH2 13 ATOM 18579 H H . ARG A 1 21 ? -7.673 1.822 0.157 1.00 0.00 ? 21 ARG A H 13 ATOM 18580 H HA . ARG A 1 21 ? -9.104 -0.591 0.086 1.00 0.00 ? 21 ARG A HA 13 ATOM 18581 H HB2 . ARG A 1 21 ? -9.027 0.926 -1.820 1.00 0.00 ? 21 ARG A HB2 13 ATOM 18582 H HB3 . ARG A 1 21 ? -7.301 0.643 -2.002 1.00 0.00 ? 21 ARG A HB3 13 ATOM 18583 H HG2 . ARG A 1 21 ? -7.709 -1.670 -2.585 1.00 0.00 ? 21 ARG A HG2 13 ATOM 18584 H HG3 . ARG A 1 21 ? -9.440 -1.452 -2.319 1.00 0.00 ? 21 ARG A HG3 13 ATOM 18585 H HD2 . ARG A 1 21 ? -9.676 -0.086 -4.198 1.00 0.00 ? 21 ARG A HD2 13 ATOM 18586 H HD3 . ARG A 1 21 ? -7.948 0.254 -4.280 1.00 0.00 ? 21 ARG A HD3 13 ATOM 18587 H HE . ARG A 1 21 ? -8.437 -2.507 -4.663 1.00 0.00 ? 21 ARG A HE 13 ATOM 18588 H HH11 . ARG A 1 21 ? -8.693 0.574 -6.262 1.00 0.00 ? 21 ARG A HH11 13 ATOM 18589 H HH12 . ARG A 1 21 ? -8.538 -0.092 -7.854 1.00 0.00 ? 21 ARG A HH12 13 ATOM 18590 H HH21 . ARG A 1 21 ? -8.231 -3.396 -6.754 1.00 0.00 ? 21 ARG A HH21 13 ATOM 18591 H HH22 . ARG A 1 21 ? -8.276 -2.350 -8.132 1.00 0.00 ? 21 ARG A HH22 13 ATOM 18592 N N . ALA A 1 22 ? -5.826 -0.886 -0.070 1.00 0.00 ? 22 ALA A N 13 ATOM 18593 C CA . ALA A 1 22 ? -4.722 -1.824 0.091 1.00 0.00 ? 22 ALA A CA 13 ATOM 18594 C C . ALA A 1 22 ? -5.026 -2.847 1.181 1.00 0.00 ? 22 ALA A C 13 ATOM 18595 O O . ALA A 1 22 ? -4.835 -4.048 0.989 1.00 0.00 ? 22 ALA A O 13 ATOM 18596 C CB . ALA A 1 22 ? -3.436 -1.077 0.411 1.00 0.00 ? 22 ALA A CB 13 ATOM 18597 H H . ALA A 1 22 ? -5.630 0.066 -0.194 1.00 0.00 ? 22 ALA A H 13 ATOM 18598 H HA . ALA A 1 22 ? -4.585 -2.343 -0.847 1.00 0.00 ? 22 ALA A HA 13 ATOM 18599 H HB1 . ALA A 1 22 ? -3.091 -1.360 1.394 1.00 0.00 ? 22 ALA A HB1 13 ATOM 18600 H HB2 . ALA A 1 22 ? -2.683 -1.327 -0.322 1.00 0.00 ? 22 ALA A HB2 13 ATOM 18601 H HB3 . ALA A 1 22 ? -3.623 -0.013 0.387 1.00 0.00 ? 22 ALA A HB3 13 ATOM 18602 N N . ASP A 1 23 ? -5.499 -2.363 2.324 1.00 0.00 ? 23 ASP A N 13 ATOM 18603 C CA . ASP A 1 23 ? -5.830 -3.236 3.445 1.00 0.00 ? 23 ASP A CA 13 ATOM 18604 C C . ASP A 1 23 ? -6.813 -4.321 3.017 1.00 0.00 ? 23 ASP A C 13 ATOM 18605 O O . ASP A 1 23 ? -6.483 -5.507 3.018 1.00 0.00 ? 23 ASP A O 13 ATOM 18606 C CB . ASP A 1 23 ? -6.421 -2.421 4.596 1.00 0.00 ? 23 ASP A CB 13 ATOM 18607 C CG . ASP A 1 23 ? -6.767 -3.280 5.796 1.00 0.00 ? 23 ASP A CG 13 ATOM 18608 O OD1 . ASP A 1 23 ? -5.845 -3.625 6.565 1.00 0.00 ? 23 ASP A OD1 13 ATOM 18609 O OD2 . ASP A 1 23 ? -7.960 -3.608 5.966 1.00 0.00 ? 23 ASP A OD2 13 ATOM 18610 H H . ASP A 1 23 ? -5.630 -1.396 2.416 1.00 0.00 ? 23 ASP A H 13 ATOM 18611 H HA . ASP A 1 23 ? -4.918 -3.706 3.779 1.00 0.00 ? 23 ASP A HA 13 ATOM 18612 H HB2 . ASP A 1 23 ? -5.703 -1.675 4.906 1.00 0.00 ? 23 ASP A HB2 13 ATOM 18613 H HB3 . ASP A 1 23 ? -7.320 -1.929 4.256 1.00 0.00 ? 23 ASP A HB3 13 ATOM 18614 N N . ARG A 1 24 ? -8.022 -3.907 2.652 1.00 0.00 ? 24 ARG A N 13 ATOM 18615 C CA . ARG A 1 24 ? -9.054 -4.843 2.224 1.00 0.00 ? 24 ARG A CA 13 ATOM 18616 C C . ARG A 1 24 ? -8.469 -5.916 1.310 1.00 0.00 ? 24 ARG A C 13 ATOM 18617 O O . ARG A 1 24 ? -8.893 -7.073 1.342 1.00 0.00 ? 24 ARG A O 13 ATOM 18618 C CB . ARG A 1 24 ? -10.179 -4.101 1.501 1.00 0.00 ? 24 ARG A CB 13 ATOM 18619 C CG . ARG A 1 24 ? -11.264 -3.584 2.431 1.00 0.00 ? 24 ARG A CG 13 ATOM 18620 C CD . ARG A 1 24 ? -12.292 -4.661 2.740 1.00 0.00 ? 24 ARG A CD 13 ATOM 18621 N NE . ARG A 1 24 ? -13.067 -5.033 1.560 1.00 0.00 ? 24 ARG A NE 13 ATOM 18622 C CZ . ARG A 1 24 ? -13.798 -6.140 1.479 1.00 0.00 ? 24 ARG A CZ 13 ATOM 18623 N NH1 . ARG A 1 24 ? -13.854 -6.977 2.505 1.00 0.00 ? 24 ARG A NH1 13 ATOM 18624 N NH2 . ARG A 1 24 ? -14.475 -6.409 0.370 1.00 0.00 ? 24 ARG A NH2 13 ATOM 18625 H H . ARG A 1 24 ? -8.226 -2.948 2.672 1.00 0.00 ? 24 ARG A H 13 ATOM 18626 H HA . ARG A 1 24 ? -9.457 -5.319 3.106 1.00 0.00 ? 24 ARG A HA 13 ATOM 18627 H HB2 . ARG A 1 24 ? -9.757 -3.258 0.973 1.00 0.00 ? 24 ARG A HB2 13 ATOM 18628 H HB3 . ARG A 1 24 ? -10.636 -4.770 0.788 1.00 0.00 ? 24 ARG A HB3 13 ATOM 18629 H HG2 . ARG A 1 24 ? -10.809 -3.261 3.356 1.00 0.00 ? 24 ARG A HG2 13 ATOM 18630 H HG3 . ARG A 1 24 ? -11.761 -2.749 1.961 1.00 0.00 ? 24 ARG A HG3 13 ATOM 18631 H HD2 . ARG A 1 24 ? -11.778 -5.535 3.112 1.00 0.00 ? 24 ARG A HD2 13 ATOM 18632 H HD3 . ARG A 1 24 ? -12.965 -4.290 3.499 1.00 0.00 ? 24 ARG A HD3 13 ATOM 18633 H HE . ARG A 1 24 ? -13.040 -4.429 0.790 1.00 0.00 ? 24 ARG A HE 13 ATOM 18634 H HH11 . ARG A 1 24 ? -13.346 -6.776 3.342 1.00 0.00 ? 24 ARG A HH11 13 ATOM 18635 H HH12 . ARG A 1 24 ? -14.406 -7.809 2.443 1.00 0.00 ? 24 ARG A HH12 13 ATOM 18636 H HH21 . ARG A 1 24 ? -14.435 -5.780 -0.405 1.00 0.00 ? 24 ARG A HH21 13 ATOM 18637 H HH22 . ARG A 1 24 ? -15.025 -7.242 0.311 1.00 0.00 ? 24 ARG A HH22 13 ATOM 18638 N N . LEU A 1 25 ? -7.494 -5.526 0.497 1.00 0.00 ? 25 LEU A N 13 ATOM 18639 C CA . LEU A 1 25 ? -6.851 -6.454 -0.427 1.00 0.00 ? 25 LEU A CA 13 ATOM 18640 C C . LEU A 1 25 ? -5.911 -7.398 0.316 1.00 0.00 ? 25 LEU A C 13 ATOM 18641 O O . LEU A 1 25 ? -5.884 -8.601 0.051 1.00 0.00 ? 25 LEU A O 13 ATOM 18642 C CB . LEU A 1 25 ? -6.076 -5.684 -1.497 1.00 0.00 ? 25 LEU A CB 13 ATOM 18643 C CG . LEU A 1 25 ? -6.917 -5.029 -2.594 1.00 0.00 ? 25 LEU A CG 13 ATOM 18644 C CD1 . LEU A 1 25 ? -6.139 -3.908 -3.266 1.00 0.00 ? 25 LEU A CD1 13 ATOM 18645 C CD2 . LEU A 1 25 ? -7.356 -6.065 -3.619 1.00 0.00 ? 25 LEU A CD2 13 ATOM 18646 H H . LEU A 1 25 ? -7.200 -4.592 0.517 1.00 0.00 ? 25 LEU A H 13 ATOM 18647 H HA . LEU A 1 25 ? -7.625 -7.037 -0.903 1.00 0.00 ? 25 LEU A HA 13 ATOM 18648 H HB2 . LEU A 1 25 ? -5.514 -4.906 -1.004 1.00 0.00 ? 25 LEU A HB2 13 ATOM 18649 H HB3 . LEU A 1 25 ? -5.392 -6.374 -1.971 1.00 0.00 ? 25 LEU A HB3 13 ATOM 18650 H HG . LEU A 1 25 ? -7.805 -4.599 -2.150 1.00 0.00 ? 25 LEU A HG 13 ATOM 18651 H HD11 . LEU A 1 25 ? -6.707 -3.526 -4.100 1.00 0.00 ? 25 LEU A HD11 13 ATOM 18652 H HD12 . LEU A 1 25 ? -5.192 -4.289 -3.619 1.00 0.00 ? 25 LEU A HD12 13 ATOM 18653 H HD13 . LEU A 1 25 ? -5.965 -3.115 -2.554 1.00 0.00 ? 25 LEU A HD13 13 ATOM 18654 H HD21 . LEU A 1 25 ? -6.799 -6.978 -3.469 1.00 0.00 ? 25 LEU A HD21 13 ATOM 18655 H HD22 . LEU A 1 25 ? -7.169 -5.688 -4.614 1.00 0.00 ? 25 LEU A HD22 13 ATOM 18656 H HD23 . LEU A 1 25 ? -8.411 -6.263 -3.501 1.00 0.00 ? 25 LEU A HD23 13 ATOM 18657 N N . LEU A 1 26 ? -5.144 -6.847 1.250 1.00 0.00 ? 26 LEU A N 13 ATOM 18658 C CA . LEU A 1 26 ? -4.204 -7.640 2.034 1.00 0.00 ? 26 LEU A CA 13 ATOM 18659 C C . LEU A 1 26 ? -4.929 -8.738 2.807 1.00 0.00 ? 26 LEU A C 13 ATOM 18660 O O . LEU A 1 26 ? -4.444 -9.864 2.907 1.00 0.00 ? 26 LEU A O 13 ATOM 18661 C CB . LEU A 1 26 ? -3.434 -6.742 3.004 1.00 0.00 ? 26 LEU A CB 13 ATOM 18662 C CG . LEU A 1 26 ? -2.777 -7.446 4.193 1.00 0.00 ? 26 LEU A CG 13 ATOM 18663 C CD1 . LEU A 1 26 ? -1.486 -8.126 3.763 1.00 0.00 ? 26 LEU A CD1 13 ATOM 18664 C CD2 . LEU A 1 26 ? -2.512 -6.457 5.318 1.00 0.00 ? 26 LEU A CD2 13 ATOM 18665 H H . LEU A 1 26 ? -5.210 -5.884 1.417 1.00 0.00 ? 26 LEU A H 13 ATOM 18666 H HA . LEU A 1 26 ? -3.506 -8.099 1.350 1.00 0.00 ? 26 LEU A HA 13 ATOM 18667 H HB2 . LEU A 1 26 ? -2.657 -6.243 2.446 1.00 0.00 ? 26 LEU A HB2 13 ATOM 18668 H HB3 . LEU A 1 26 ? -4.124 -6.008 3.394 1.00 0.00 ? 26 LEU A HB3 13 ATOM 18669 H HG . LEU A 1 26 ? -3.447 -8.208 4.567 1.00 0.00 ? 26 LEU A HG 13 ATOM 18670 H HD11 . LEU A 1 26 ? -1.636 -9.195 3.733 1.00 0.00 ? 26 LEU A HD11 13 ATOM 18671 H HD12 . LEU A 1 26 ? -0.704 -7.892 4.470 1.00 0.00 ? 26 LEU A HD12 13 ATOM 18672 H HD13 . LEU A 1 26 ? -1.202 -7.774 2.783 1.00 0.00 ? 26 LEU A HD13 13 ATOM 18673 H HD21 . LEU A 1 26 ? -3.444 -6.207 5.804 1.00 0.00 ? 26 LEU A HD21 13 ATOM 18674 H HD22 . LEU A 1 26 ? -2.067 -5.560 4.912 1.00 0.00 ? 26 LEU A HD22 13 ATOM 18675 H HD23 . LEU A 1 26 ? -1.838 -6.900 6.036 1.00 0.00 ? 26 LEU A HD23 13 ATOM 18676 N N . ALA A 1 27 ? -6.095 -8.401 3.348 1.00 0.00 ? 27 ALA A N 13 ATOM 18677 C CA . ALA A 1 27 ? -6.890 -9.359 4.107 1.00 0.00 ? 27 ALA A CA 13 ATOM 18678 C C . ALA A 1 27 ? -7.367 -10.502 3.219 1.00 0.00 ? 27 ALA A C 13 ATOM 18679 O O . ALA A 1 27 ? -7.595 -11.615 3.692 1.00 0.00 ? 27 ALA A O 13 ATOM 18680 C CB . ALA A 1 27 ? -8.076 -8.662 4.758 1.00 0.00 ? 27 ALA A CB 13 ATOM 18681 H H . ALA A 1 27 ? -6.430 -7.487 3.233 1.00 0.00 ? 27 ALA A H 13 ATOM 18682 H HA . ALA A 1 27 ? -6.266 -9.762 4.892 1.00 0.00 ? 27 ALA A HA 13 ATOM 18683 H HB1 . ALA A 1 27 ? -8.121 -7.637 4.419 1.00 0.00 ? 27 ALA A HB1 13 ATOM 18684 H HB2 . ALA A 1 27 ? -8.987 -9.173 4.484 1.00 0.00 ? 27 ALA A HB2 13 ATOM 18685 H HB3 . ALA A 1 27 ? -7.960 -8.682 5.831 1.00 0.00 ? 27 ALA A HB3 13 ATOM 18686 N N . ALA A 1 28 ? -7.518 -10.220 1.929 1.00 0.00 ? 28 ALA A N 13 ATOM 18687 C CA . ALA A 1 28 ? -7.968 -11.226 0.974 1.00 0.00 ? 28 ALA A CA 13 ATOM 18688 C C . ALA A 1 28 ? -6.786 -11.985 0.379 1.00 0.00 ? 28 ALA A C 13 ATOM 18689 O O . ALA A 1 28 ? -6.955 -12.813 -0.514 1.00 0.00 ? 28 ALA A O 13 ATOM 18690 C CB . ALA A 1 28 ? -8.790 -10.576 -0.129 1.00 0.00 ? 28 ALA A CB 13 ATOM 18691 H H . ALA A 1 28 ? -7.321 -9.314 1.612 1.00 0.00 ? 28 ALA A H 13 ATOM 18692 H HA . ALA A 1 28 ? -8.604 -11.924 1.500 1.00 0.00 ? 28 ALA A HA 13 ATOM 18693 H HB1 . ALA A 1 28 ? -9.311 -11.341 -0.686 1.00 0.00 ? 28 ALA A HB1 13 ATOM 18694 H HB2 . ALA A 1 28 ? -9.506 -9.897 0.308 1.00 0.00 ? 28 ALA A HB2 13 ATOM 18695 H HB3 . ALA A 1 28 ? -8.135 -10.031 -0.792 1.00 0.00 ? 28 ALA A HB3 13 ATOM 18696 N N . GLY A 1 29 ? -5.590 -11.695 0.881 1.00 0.00 ? 29 GLY A N 13 ATOM 18697 C CA . GLY A 1 29 ? -4.398 -12.359 0.386 1.00 0.00 ? 29 GLY A CA 13 ATOM 18698 C C . GLY A 1 29 ? -3.889 -11.750 -0.906 1.00 0.00 ? 29 GLY A C 13 ATOM 18699 O O . GLY A 1 29 ? -3.009 -12.309 -1.560 1.00 0.00 ? 29 GLY A O 13 ATOM 18700 H H . GLY A 1 29 ? -5.516 -11.025 1.593 1.00 0.00 ? 29 GLY A H 13 ATOM 18701 H HA2 . GLY A 1 29 ? -3.623 -12.288 1.135 1.00 0.00 ? 29 GLY A HA2 13 ATOM 18702 H HA3 . GLY A 1 29 ? -4.625 -13.401 0.215 1.00 0.00 ? 29 GLY A HA3 13 ATOM 18703 N N . LYS A 1 30 ? -4.445 -10.602 -1.276 1.00 0.00 ? 30 LYS A N 13 ATOM 18704 C CA . LYS A 1 30 ? -4.044 -9.916 -2.498 1.00 0.00 ? 30 LYS A CA 13 ATOM 18705 C C . LYS A 1 30 ? -2.919 -8.924 -2.221 1.00 0.00 ? 30 LYS A C 13 ATOM 18706 O O . LYS A 1 30 ? -2.956 -7.783 -2.683 1.00 0.00 ? 30 LYS A O 13 ATOM 18707 C CB . LYS A 1 30 ? -5.241 -9.187 -3.114 1.00 0.00 ? 30 LYS A CB 13 ATOM 18708 C CG . LYS A 1 30 ? -6.507 -10.024 -3.158 1.00 0.00 ? 30 LYS A CG 13 ATOM 18709 C CD . LYS A 1 30 ? -6.608 -10.815 -4.452 1.00 0.00 ? 30 LYS A CD 13 ATOM 18710 C CE . LYS A 1 30 ? -8.056 -11.085 -4.828 1.00 0.00 ? 30 LYS A CE 13 ATOM 18711 N NZ . LYS A 1 30 ? -8.552 -12.363 -4.247 1.00 0.00 ? 30 LYS A NZ 13 ATOM 18712 H H . LYS A 1 30 ? -5.143 -10.205 -0.712 1.00 0.00 ? 30 LYS A H 13 ATOM 18713 H HA . LYS A 1 30 ? -3.689 -10.660 -3.195 1.00 0.00 ? 30 LYS A HA 13 ATOM 18714 H HB2 . LYS A 1 30 ? -5.442 -8.297 -2.536 1.00 0.00 ? 30 LYS A HB2 13 ATOM 18715 H HB3 . LYS A 1 30 ? -4.989 -8.898 -4.125 1.00 0.00 ? 30 LYS A HB3 13 ATOM 18716 H HG2 . LYS A 1 30 ? -6.500 -10.714 -2.327 1.00 0.00 ? 30 LYS A HG2 13 ATOM 18717 H HG3 . LYS A 1 30 ? -7.363 -9.370 -3.079 1.00 0.00 ? 30 LYS A HG3 13 ATOM 18718 H HD2 . LYS A 1 30 ? -6.141 -10.251 -5.246 1.00 0.00 ? 30 LYS A HD2 13 ATOM 18719 H HD3 . LYS A 1 30 ? -6.095 -11.758 -4.328 1.00 0.00 ? 30 LYS A HD3 13 ATOM 18720 H HE2 . LYS A 1 30 ? -8.667 -10.273 -4.464 1.00 0.00 ? 30 LYS A HE2 13 ATOM 18721 H HE3 . LYS A 1 30 ? -8.131 -11.136 -5.905 1.00 0.00 ? 30 LYS A HE3 13 ATOM 18722 H HZ1 . LYS A 1 30 ? -7.749 -12.950 -3.940 1.00 0.00 ? 30 LYS A HZ1 13 ATOM 18723 H HZ2 . LYS A 1 30 ? -9.100 -12.890 -4.956 1.00 0.00 ? 30 LYS A HZ2 13 ATOM 18724 H HZ3 . LYS A 1 30 ? -9.160 -12.171 -3.426 1.00 0.00 ? 30 LYS A HZ3 13 ATOM 18725 N N . TYR A 1 31 ? -1.919 -9.367 -1.467 1.00 0.00 ? 31 TYR A N 13 ATOM 18726 C CA . TYR A 1 31 ? -0.783 -8.517 -1.128 1.00 0.00 ? 31 TYR A CA 13 ATOM 18727 C C . TYR A 1 31 ? -0.410 -7.614 -2.300 1.00 0.00 ? 31 TYR A C 13 ATOM 18728 O O . TYR A 1 31 ? -0.371 -6.392 -2.166 1.00 0.00 ? 31 TYR A O 13 ATOM 18729 C CB . TYR A 1 31 ? 0.419 -9.374 -0.727 1.00 0.00 ? 31 TYR A CB 13 ATOM 18730 C CG . TYR A 1 31 ? 0.185 -10.199 0.519 1.00 0.00 ? 31 TYR A CG 13 ATOM 18731 C CD1 . TYR A 1 31 ? -0.351 -11.479 0.438 1.00 0.00 ? 31 TYR A CD1 13 ATOM 18732 C CD2 . TYR A 1 31 ? 0.501 -9.700 1.776 1.00 0.00 ? 31 TYR A CD2 13 ATOM 18733 C CE1 . TYR A 1 31 ? -0.566 -12.236 1.573 1.00 0.00 ? 31 TYR A CE1 13 ATOM 18734 C CE2 . TYR A 1 31 ? 0.290 -10.451 2.917 1.00 0.00 ? 31 TYR A CE2 13 ATOM 18735 C CZ . TYR A 1 31 ? -0.244 -11.717 2.810 1.00 0.00 ? 31 TYR A CZ 13 ATOM 18736 O OH . TYR A 1 31 ? -0.456 -12.469 3.943 1.00 0.00 ? 31 TYR A OH 13 ATOM 18737 H H . TYR A 1 31 ? -1.946 -10.286 -1.128 1.00 0.00 ? 31 TYR A H 13 ATOM 18738 H HA . TYR A 1 31 ? -1.069 -7.900 -0.289 1.00 0.00 ? 31 TYR A HA 13 ATOM 18739 H HB2 . TYR A 1 31 ? 0.655 -10.051 -1.533 1.00 0.00 ? 31 TYR A HB2 13 ATOM 18740 H HB3 . TYR A 1 31 ? 1.266 -8.729 -0.544 1.00 0.00 ? 31 TYR A HB3 13 ATOM 18741 H HD1 . TYR A 1 31 ? -0.602 -11.881 -0.533 1.00 0.00 ? 31 TYR A HD1 13 ATOM 18742 H HD2 . TYR A 1 31 ? 0.920 -8.707 1.857 1.00 0.00 ? 31 TYR A HD2 13 ATOM 18743 H HE1 . TYR A 1 31 ? -0.984 -13.228 1.489 1.00 0.00 ? 31 TYR A HE1 13 ATOM 18744 H HE2 . TYR A 1 31 ? 0.543 -10.045 3.885 1.00 0.00 ? 31 TYR A HE2 13 ATOM 18745 H HH . TYR A 1 31 ? -1.382 -12.418 4.192 1.00 0.00 ? 31 TYR A HH 13 ATOM 18746 N N . GLU A 1 32 ? -0.137 -8.227 -3.447 1.00 0.00 ? 32 GLU A N 13 ATOM 18747 C CA . GLU A 1 32 ? 0.234 -7.479 -4.643 1.00 0.00 ? 32 GLU A CA 13 ATOM 18748 C C . GLU A 1 32 ? -0.801 -6.401 -4.953 1.00 0.00 ? 32 GLU A C 13 ATOM 18749 O O . GLU A 1 32 ? -0.480 -5.214 -5.001 1.00 0.00 ? 32 GLU A O 13 ATOM 18750 C CB . GLU A 1 32 ? 0.376 -8.423 -5.838 1.00 0.00 ? 32 GLU A CB 13 ATOM 18751 C CG . GLU A 1 32 ? -0.438 -9.699 -5.708 1.00 0.00 ? 32 GLU A CG 13 ATOM 18752 C CD . GLU A 1 32 ? -0.737 -10.341 -7.049 1.00 0.00 ? 32 GLU A CD 13 ATOM 18753 O OE1 . GLU A 1 32 ? -0.799 -9.607 -8.057 1.00 0.00 ? 32 GLU A OE1 13 ATOM 18754 O OE2 . GLU A 1 32 ? -0.907 -11.577 -7.089 1.00 0.00 ? 32 GLU A OE2 13 ATOM 18755 H H . GLU A 1 32 ? -0.185 -9.205 -3.491 1.00 0.00 ? 32 GLU A H 13 ATOM 18756 H HA . GLU A 1 32 ? 1.185 -7.004 -4.455 1.00 0.00 ? 32 GLU A HA 13 ATOM 18757 H HB2 . GLU A 1 32 ? 0.057 -7.905 -6.731 1.00 0.00 ? 32 GLU A HB2 13 ATOM 18758 H HB3 . GLU A 1 32 ? 1.416 -8.695 -5.944 1.00 0.00 ? 32 GLU A HB3 13 ATOM 18759 H HG2 . GLU A 1 32 ? 0.113 -10.403 -5.103 1.00 0.00 ? 32 GLU A HG2 13 ATOM 18760 H HG3 . GLU A 1 32 ? -1.374 -9.465 -5.221 1.00 0.00 ? 32 GLU A HG3 13 ATOM 18761 N N . GLU A 1 33 ? -2.044 -6.825 -5.162 1.00 0.00 ? 33 GLU A N 13 ATOM 18762 C CA . GLU A 1 33 ? -3.125 -5.896 -5.469 1.00 0.00 ? 33 GLU A CA 13 ATOM 18763 C C . GLU A 1 33 ? -2.954 -4.589 -4.700 1.00 0.00 ? 33 GLU A C 13 ATOM 18764 O O . GLU A 1 33 ? -3.360 -3.525 -5.166 1.00 0.00 ? 33 GLU A O 13 ATOM 18765 C CB . GLU A 1 33 ? -4.479 -6.525 -5.132 1.00 0.00 ? 33 GLU A CB 13 ATOM 18766 C CG . GLU A 1 33 ? -4.923 -7.583 -6.128 1.00 0.00 ? 33 GLU A CG 13 ATOM 18767 C CD . GLU A 1 33 ? -4.824 -7.109 -7.565 1.00 0.00 ? 33 GLU A CD 13 ATOM 18768 O OE1 . GLU A 1 33 ? -5.754 -6.415 -8.026 1.00 0.00 ? 33 GLU A OE1 13 ATOM 18769 O OE2 . GLU A 1 33 ? -3.816 -7.432 -8.228 1.00 0.00 ? 33 GLU A OE2 13 ATOM 18770 H H . GLU A 1 33 ? -2.237 -7.784 -5.110 1.00 0.00 ? 33 GLU A H 13 ATOM 18771 H HA . GLU A 1 33 ? -3.091 -5.685 -6.527 1.00 0.00 ? 33 GLU A HA 13 ATOM 18772 H HB2 . GLU A 1 33 ? -4.416 -6.983 -4.156 1.00 0.00 ? 33 GLU A HB2 13 ATOM 18773 H HB3 . GLU A 1 33 ? -5.227 -5.747 -5.107 1.00 0.00 ? 33 GLU A HB3 13 ATOM 18774 H HG2 . GLU A 1 33 ? -4.300 -8.456 -6.009 1.00 0.00 ? 33 GLU A HG2 13 ATOM 18775 H HG3 . GLU A 1 33 ? -5.951 -7.845 -5.922 1.00 0.00 ? 33 GLU A HG3 13 ATOM 18776 N N . ALA A 1 34 ? -2.351 -4.678 -3.520 1.00 0.00 ? 34 ALA A N 13 ATOM 18777 C CA . ALA A 1 34 ? -2.124 -3.504 -2.687 1.00 0.00 ? 34 ALA A CA 13 ATOM 18778 C C . ALA A 1 34 ? -0.819 -2.809 -3.060 1.00 0.00 ? 34 ALA A C 13 ATOM 18779 O O . ALA A 1 34 ? -0.761 -1.583 -3.147 1.00 0.00 ? 34 ALA A O 13 ATOM 18780 C CB . ALA A 1 34 ? -2.116 -3.893 -1.216 1.00 0.00 ? 34 ALA A CB 13 ATOM 18781 H H . ALA A 1 34 ? -2.049 -5.555 -3.202 1.00 0.00 ? 34 ALA A H 13 ATOM 18782 H HA . ALA A 1 34 ? -2.944 -2.818 -2.847 1.00 0.00 ? 34 ALA A HA 13 ATOM 18783 H HB1 . ALA A 1 34 ? -2.381 -4.936 -1.119 1.00 0.00 ? 34 ALA A HB1 13 ATOM 18784 H HB2 . ALA A 1 34 ? -1.129 -3.733 -0.807 1.00 0.00 ? 34 ALA A HB2 13 ATOM 18785 H HB3 . ALA A 1 34 ? -2.831 -3.288 -0.679 1.00 0.00 ? 34 ALA A HB3 13 ATOM 18786 N N . ILE A 1 35 ? 0.226 -3.601 -3.277 1.00 0.00 ? 35 ILE A N 13 ATOM 18787 C CA . ILE A 1 35 ? 1.530 -3.062 -3.641 1.00 0.00 ? 35 ILE A CA 13 ATOM 18788 C C . ILE A 1 35 ? 1.387 -1.820 -4.515 1.00 0.00 ? 35 ILE A C 13 ATOM 18789 O O . ILE A 1 35 ? 1.818 -0.731 -4.138 1.00 0.00 ? 35 ILE A O 13 ATOM 18790 C CB . ILE A 1 35 ? 2.383 -4.105 -4.387 1.00 0.00 ? 35 ILE A CB 13 ATOM 18791 C CG1 . ILE A 1 35 ? 2.753 -5.257 -3.450 1.00 0.00 ? 35 ILE A CG1 13 ATOM 18792 C CG2 . ILE A 1 35 ? 3.634 -3.456 -4.958 1.00 0.00 ? 35 ILE A CG2 13 ATOM 18793 C CD1 . ILE A 1 35 ? 3.468 -6.395 -4.144 1.00 0.00 ? 35 ILE A CD1 13 ATOM 18794 H H . ILE A 1 35 ? 0.116 -4.571 -3.192 1.00 0.00 ? 35 ILE A H 13 ATOM 18795 H HA . ILE A 1 35 ? 2.044 -2.791 -2.730 1.00 0.00 ? 35 ILE A HA 13 ATOM 18796 H HB . ILE A 1 35 ? 1.800 -4.492 -5.209 1.00 0.00 ? 35 ILE A HB 13 ATOM 18797 H HG12 . ILE A 1 35 ? 3.401 -4.885 -2.671 1.00 0.00 ? 35 ILE A HG12 13 ATOM 18798 H HG13 . ILE A 1 35 ? 1.852 -5.652 -3.004 1.00 0.00 ? 35 ILE A HG13 13 ATOM 18799 H HG21 . ILE A 1 35 ? 4.034 -2.754 -4.241 1.00 0.00 ? 35 ILE A HG21 13 ATOM 18800 H HG22 . ILE A 1 35 ? 4.372 -4.217 -5.164 1.00 0.00 ? 35 ILE A HG22 13 ATOM 18801 H HG23 . ILE A 1 35 ? 3.386 -2.936 -5.871 1.00 0.00 ? 35 ILE A HG23 13 ATOM 18802 H HD11 . ILE A 1 35 ? 3.018 -6.566 -5.111 1.00 0.00 ? 35 ILE A HD11 13 ATOM 18803 H HD12 . ILE A 1 35 ? 4.510 -6.143 -4.270 1.00 0.00 ? 35 ILE A HD12 13 ATOM 18804 H HD13 . ILE A 1 35 ? 3.385 -7.291 -3.546 1.00 0.00 ? 35 ILE A HD13 13 ATOM 18805 N N . SER A 1 36 ? 0.777 -1.993 -5.683 1.00 0.00 ? 36 SER A N 13 ATOM 18806 C CA . SER A 1 36 ? 0.578 -0.887 -6.612 1.00 0.00 ? 36 SER A CA 13 ATOM 18807 C C . SER A 1 36 ? -0.035 0.316 -5.902 1.00 0.00 ? 36 SER A C 13 ATOM 18808 O O . SER A 1 36 ? 0.534 1.409 -5.905 1.00 0.00 ? 36 SER A O 13 ATOM 18809 C CB . SER A 1 36 ? -0.321 -1.321 -7.771 1.00 0.00 ? 36 SER A CB 13 ATOM 18810 O OG . SER A 1 36 ? -1.641 -1.578 -7.324 1.00 0.00 ? 36 SER A OG 13 ATOM 18811 H H . SER A 1 36 ? 0.455 -2.886 -5.927 1.00 0.00 ? 36 SER A H 13 ATOM 18812 H HA . SER A 1 36 ? 1.544 -0.605 -7.004 1.00 0.00 ? 36 SER A HA 13 ATOM 18813 H HB2 . SER A 1 36 ? -0.351 -0.538 -8.514 1.00 0.00 ? 36 SER A HB2 13 ATOM 18814 H HB3 . SER A 1 36 ? 0.078 -2.222 -8.214 1.00 0.00 ? 36 SER A HB3 13 ATOM 18815 H HG . SER A 1 36 ? -1.638 -2.337 -6.736 1.00 0.00 ? 36 SER A HG 13 ATOM 18816 N N . CYS A 1 37 ? -1.197 0.107 -5.294 1.00 0.00 ? 37 CYS A N 13 ATOM 18817 C CA . CYS A 1 37 ? -1.890 1.174 -4.580 1.00 0.00 ? 37 CYS A CA 13 ATOM 18818 C C . CYS A 1 37 ? -0.894 2.101 -3.890 1.00 0.00 ? 37 CYS A C 13 ATOM 18819 O O . CYS A 1 37 ? -1.016 3.324 -3.963 1.00 0.00 ? 37 CYS A O 13 ATOM 18820 C CB . CYS A 1 37 ? -2.854 0.584 -3.550 1.00 0.00 ? 37 CYS A CB 13 ATOM 18821 S SG . CYS A 1 37 ? -4.005 -0.634 -4.230 1.00 0.00 ? 37 CYS A SG 13 ATOM 18822 H H . CYS A 1 37 ? -1.601 -0.785 -5.327 1.00 0.00 ? 37 CYS A H 13 ATOM 18823 H HA . CYS A 1 37 ? -2.453 1.745 -5.302 1.00 0.00 ? 37 CYS A HA 13 ATOM 18824 H HB2 . CYS A 1 37 ? -2.285 0.097 -2.772 1.00 0.00 ? 37 CYS A HB2 13 ATOM 18825 H HB3 . CYS A 1 37 ? -3.437 1.382 -3.115 1.00 0.00 ? 37 CYS A HB3 13 ATOM 18826 H HG . CYS A 1 37 ? -4.447 -1.381 -3.230 1.00 0.00 ? 37 CYS A HG 13 ATOM 18827 N N . HIS A 1 38 ? 0.089 1.510 -3.218 1.00 0.00 ? 38 HIS A N 13 ATOM 18828 C CA . HIS A 1 38 ? 1.106 2.283 -2.513 1.00 0.00 ? 38 HIS A CA 13 ATOM 18829 C C . HIS A 1 38 ? 2.014 3.012 -3.499 1.00 0.00 ? 38 HIS A C 13 ATOM 18830 O O . HIS A 1 38 ? 2.324 4.190 -3.317 1.00 0.00 ? 38 HIS A O 13 ATOM 18831 C CB . HIS A 1 38 ? 1.938 1.370 -1.613 1.00 0.00 ? 38 HIS A CB 13 ATOM 18832 C CG . HIS A 1 38 ? 1.312 1.112 -0.277 1.00 0.00 ? 38 HIS A CG 13 ATOM 18833 N ND1 . HIS A 1 38 ? 0.750 2.107 0.494 1.00 0.00 ? 38 HIS A ND1 13 ATOM 18834 C CD2 . HIS A 1 38 ? 1.160 -0.036 0.423 1.00 0.00 ? 38 HIS A CD2 13 ATOM 18835 C CE1 . HIS A 1 38 ? 0.281 1.582 1.612 1.00 0.00 ? 38 HIS A CE1 13 ATOM 18836 N NE2 . HIS A 1 38 ? 0.517 0.283 1.593 1.00 0.00 ? 38 HIS A NE2 13 ATOM 18837 H H . HIS A 1 38 ? 0.132 0.532 -3.197 1.00 0.00 ? 38 HIS A H 13 ATOM 18838 H HA . HIS A 1 38 ? 0.600 3.014 -1.900 1.00 0.00 ? 38 HIS A HA 13 ATOM 18839 H HB2 . HIS A 1 38 ? 2.073 0.417 -2.105 1.00 0.00 ? 38 HIS A HB2 13 ATOM 18840 H HB3 . HIS A 1 38 ? 2.905 1.823 -1.446 1.00 0.00 ? 38 HIS A HB3 13 ATOM 18841 H HD1 . HIS A 1 38 ? 0.703 3.057 0.258 1.00 0.00 ? 38 HIS A HD1 13 ATOM 18842 H HD2 . HIS A 1 38 ? 1.485 -1.021 0.118 1.00 0.00 ? 38 HIS A HD2 13 ATOM 18843 H HE1 . HIS A 1 38 ? -0.213 2.123 2.406 1.00 0.00 ? 38 HIS A HE1 13 ATOM 18844 H HE2 . HIS A 1 38 ? 0.348 -0.332 2.337 1.00 0.00 ? 38 HIS A HE2 13 ATOM 18845 N N . ARG A 1 39 ? 2.438 2.304 -4.540 1.00 0.00 ? 39 ARG A N 13 ATOM 18846 C CA . ARG A 1 39 ? 3.312 2.883 -5.553 1.00 0.00 ? 39 ARG A CA 13 ATOM 18847 C C . ARG A 1 39 ? 2.675 4.120 -6.179 1.00 0.00 ? 39 ARG A C 13 ATOM 18848 O O . ARG A 1 39 ? 3.352 5.113 -6.448 1.00 0.00 ? 39 ARG A O 13 ATOM 18849 C CB . ARG A 1 39 ? 3.624 1.852 -6.639 1.00 0.00 ? 39 ARG A CB 13 ATOM 18850 C CG . ARG A 1 39 ? 4.321 0.607 -6.114 1.00 0.00 ? 39 ARG A CG 13 ATOM 18851 C CD . ARG A 1 39 ? 4.824 -0.270 -7.250 1.00 0.00 ? 39 ARG A CD 13 ATOM 18852 N NE . ARG A 1 39 ? 5.927 -1.130 -6.831 1.00 0.00 ? 39 ARG A NE 13 ATOM 18853 C CZ . ARG A 1 39 ? 6.817 -1.646 -7.671 1.00 0.00 ? 39 ARG A CZ 13 ATOM 18854 N NH1 . ARG A 1 39 ? 6.734 -1.391 -8.970 1.00 0.00 ? 39 ARG A NH1 13 ATOM 18855 N NH2 . ARG A 1 39 ? 7.793 -2.419 -7.213 1.00 0.00 ? 39 ARG A NH2 13 ATOM 18856 H H . ARG A 1 39 ? 2.156 1.370 -4.630 1.00 0.00 ? 39 ARG A H 13 ATOM 18857 H HA . ARG A 1 39 ? 4.233 3.173 -5.069 1.00 0.00 ? 39 ARG A HA 13 ATOM 18858 H HB2 . ARG A 1 39 ? 2.699 1.549 -7.107 1.00 0.00 ? 39 ARG A HB2 13 ATOM 18859 H HB3 . ARG A 1 39 ? 4.261 2.309 -7.380 1.00 0.00 ? 39 ARG A HB3 13 ATOM 18860 H HG2 . ARG A 1 39 ? 5.162 0.906 -5.506 1.00 0.00 ? 39 ARG A HG2 13 ATOM 18861 H HG3 . ARG A 1 39 ? 3.624 0.041 -5.515 1.00 0.00 ? 39 ARG A HG3 13 ATOM 18862 H HD2 . ARG A 1 39 ? 4.010 -0.889 -7.596 1.00 0.00 ? 39 ARG A HD2 13 ATOM 18863 H HD3 . ARG A 1 39 ? 5.160 0.365 -8.056 1.00 0.00 ? 39 ARG A HD3 13 ATOM 18864 H HE . ARG A 1 39 ? 6.008 -1.331 -5.876 1.00 0.00 ? 39 ARG A HE 13 ATOM 18865 H HH11 . ARG A 1 39 ? 6.000 -0.807 -9.317 1.00 0.00 ? 39 ARG A HH11 13 ATOM 18866 H HH12 . ARG A 1 39 ? 7.406 -1.779 -9.600 1.00 0.00 ? 39 ARG A HH12 13 ATOM 18867 H HH21 . ARG A 1 39 ? 7.859 -2.614 -6.235 1.00 0.00 ? 39 ARG A HH21 13 ATOM 18868 H HH22 . ARG A 1 39 ? 8.462 -2.807 -7.846 1.00 0.00 ? 39 ARG A HH22 13 ATOM 18869 N N . LYS A 1 40 ? 1.368 4.053 -6.410 1.00 0.00 ? 40 LYS A N 13 ATOM 18870 C CA . LYS A 1 40 ? 0.637 5.166 -7.003 1.00 0.00 ? 40 LYS A CA 13 ATOM 18871 C C . LYS A 1 40 ? 0.629 6.372 -6.069 1.00 0.00 ? 40 LYS A C 13 ATOM 18872 O O . LYS A 1 40 ? 1.103 7.450 -6.427 1.00 0.00 ? 40 LYS A O 13 ATOM 18873 C CB . LYS A 1 40 ? -0.799 4.747 -7.325 1.00 0.00 ? 40 LYS A CB 13 ATOM 18874 C CG . LYS A 1 40 ? -0.911 3.843 -8.540 1.00 0.00 ? 40 LYS A CG 13 ATOM 18875 C CD . LYS A 1 40 ? -2.168 2.990 -8.487 1.00 0.00 ? 40 LYS A CD 13 ATOM 18876 C CE . LYS A 1 40 ? -2.277 2.082 -9.702 1.00 0.00 ? 40 LYS A CE 13 ATOM 18877 N NZ . LYS A 1 40 ? -3.564 1.333 -9.721 1.00 0.00 ? 40 LYS A NZ 13 ATOM 18878 H H . LYS A 1 40 ? 0.882 3.234 -6.174 1.00 0.00 ? 40 LYS A H 13 ATOM 18879 H HA . LYS A 1 40 ? 1.137 5.440 -7.920 1.00 0.00 ? 40 LYS A HA 13 ATOM 18880 H HB2 . LYS A 1 40 ? -1.207 4.223 -6.473 1.00 0.00 ? 40 LYS A HB2 13 ATOM 18881 H HB3 . LYS A 1 40 ? -1.388 5.634 -7.507 1.00 0.00 ? 40 LYS A HB3 13 ATOM 18882 H HG2 . LYS A 1 40 ? -0.942 4.454 -9.430 1.00 0.00 ? 40 LYS A HG2 13 ATOM 18883 H HG3 . LYS A 1 40 ? -0.048 3.194 -8.576 1.00 0.00 ? 40 LYS A HG3 13 ATOM 18884 H HD2 . LYS A 1 40 ? -2.140 2.379 -7.597 1.00 0.00 ? 40 LYS A HD2 13 ATOM 18885 H HD3 . LYS A 1 40 ? -3.032 3.639 -8.453 1.00 0.00 ? 40 LYS A HD3 13 ATOM 18886 H HE2 . LYS A 1 40 ? -2.210 2.687 -10.594 1.00 0.00 ? 40 LYS A HE2 13 ATOM 18887 H HE3 . LYS A 1 40 ? -1.460 1.377 -9.683 1.00 0.00 ? 40 LYS A HE3 13 ATOM 18888 H HZ1 . LYS A 1 40 ? -3.382 0.313 -9.807 1.00 0.00 ? 40 LYS A HZ1 13 ATOM 18889 H HZ2 . LYS A 1 40 ? -4.144 1.639 -10.528 1.00 0.00 ? 40 LYS A HZ2 13 ATOM 18890 H HZ3 . LYS A 1 40 ? -4.092 1.507 -8.842 1.00 0.00 ? 40 LYS A HZ3 13 ATOM 18891 N N . ALA A 1 41 ? 0.089 6.182 -4.870 1.00 0.00 ? 41 ALA A N 13 ATOM 18892 C CA . ALA A 1 41 ? 0.023 7.253 -3.883 1.00 0.00 ? 41 ALA A CA 13 ATOM 18893 C C . ALA A 1 41 ? 1.359 7.979 -3.771 1.00 0.00 ? 41 ALA A C 13 ATOM 18894 O O . ALA A 1 41 ? 1.433 9.196 -3.949 1.00 0.00 ? 41 ALA A O 13 ATOM 18895 C CB . ALA A 1 41 ? -0.393 6.698 -2.529 1.00 0.00 ? 41 ALA A CB 13 ATOM 18896 H H . ALA A 1 41 ? -0.272 5.300 -4.643 1.00 0.00 ? 41 ALA A H 13 ATOM 18897 H HA . ALA A 1 41 ? -0.733 7.956 -4.204 1.00 0.00 ? 41 ALA A HA 13 ATOM 18898 H HB1 . ALA A 1 41 ? -1.143 5.932 -2.669 1.00 0.00 ? 41 ALA A HB1 13 ATOM 18899 H HB2 . ALA A 1 41 ? 0.467 6.273 -2.034 1.00 0.00 ? 41 ALA A HB2 13 ATOM 18900 H HB3 . ALA A 1 41 ? -0.801 7.494 -1.924 1.00 0.00 ? 41 ALA A HB3 13 ATOM 18901 N N . THR A 1 42 ? 2.414 7.227 -3.475 1.00 0.00 ? 42 THR A N 13 ATOM 18902 C CA . THR A 1 42 ? 3.747 7.799 -3.337 1.00 0.00 ? 42 THR A CA 13 ATOM 18903 C C . THR A 1 42 ? 4.064 8.739 -4.496 1.00 0.00 ? 42 THR A C 13 ATOM 18904 O O . THR A 1 42 ? 4.403 9.904 -4.289 1.00 0.00 ? 42 THR A O 13 ATOM 18905 C CB . THR A 1 42 ? 4.826 6.702 -3.271 1.00 0.00 ? 42 THR A CB 13 ATOM 18906 O OG1 . THR A 1 42 ? 4.611 5.741 -4.310 1.00 0.00 ? 42 THR A OG1 13 ATOM 18907 C CG2 . THR A 1 42 ? 4.808 6.007 -1.918 1.00 0.00 ? 42 THR A CG2 13 ATOM 18908 H H . THR A 1 42 ? 2.291 6.263 -3.345 1.00 0.00 ? 42 THR A H 13 ATOM 18909 H HA . THR A 1 42 ? 3.776 8.360 -2.414 1.00 0.00 ? 42 THR A HA 13 ATOM 18910 H HB . THR A 1 42 ? 5.794 7.161 -3.411 1.00 0.00 ? 42 THR A HB 13 ATOM 18911 H HG1 . THR A 1 42 ? 4.208 4.952 -3.939 1.00 0.00 ? 42 THR A HG1 13 ATOM 18912 H HG21 . THR A 1 42 ? 3.927 5.387 -1.844 1.00 0.00 ? 42 THR A HG21 13 ATOM 18913 H HG22 . THR A 1 42 ? 4.795 6.748 -1.133 1.00 0.00 ? 42 THR A HG22 13 ATOM 18914 H HG23 . THR A 1 42 ? 5.689 5.392 -1.819 1.00 0.00 ? 42 THR A HG23 13 ATOM 18915 N N . THR A 1 43 ? 3.951 8.224 -5.716 1.00 0.00 ? 43 THR A N 13 ATOM 18916 C CA . THR A 1 43 ? 4.226 9.017 -6.908 1.00 0.00 ? 43 THR A CA 13 ATOM 18917 C C . THR A 1 43 ? 3.542 10.378 -6.833 1.00 0.00 ? 43 THR A C 13 ATOM 18918 O O . THR A 1 43 ? 4.190 11.417 -6.961 1.00 0.00 ? 43 THR A O 13 ATOM 18919 C CB . THR A 1 43 ? 3.761 8.292 -8.185 1.00 0.00 ? 43 THR A CB 13 ATOM 18920 O OG1 . THR A 1 43 ? 4.443 7.039 -8.312 1.00 0.00 ? 43 THR A OG1 13 ATOM 18921 C CG2 . THR A 1 43 ? 4.023 9.144 -9.417 1.00 0.00 ? 43 THR A CG2 13 ATOM 18922 H H . THR A 1 43 ? 3.676 7.289 -5.816 1.00 0.00 ? 43 THR A H 13 ATOM 18923 H HA . THR A 1 43 ? 5.294 9.165 -6.971 1.00 0.00 ? 43 THR A HA 13 ATOM 18924 H HB . THR A 1 43 ? 2.699 8.109 -8.111 1.00 0.00 ? 43 THR A HB 13 ATOM 18925 H HG1 . THR A 1 43 ? 5.369 7.197 -8.511 1.00 0.00 ? 43 THR A HG1 13 ATOM 18926 H HG21 . THR A 1 43 ? 4.924 8.804 -9.906 1.00 0.00 ? 43 THR A HG21 13 ATOM 18927 H HG22 . THR A 1 43 ? 4.140 10.176 -9.123 1.00 0.00 ? 43 THR A HG22 13 ATOM 18928 H HG23 . THR A 1 43 ? 3.189 9.057 -10.098 1.00 0.00 ? 43 THR A HG23 13 ATOM 18929 N N . TYR A 1 44 ? 2.230 10.365 -6.625 1.00 0.00 ? 44 TYR A N 13 ATOM 18930 C CA . TYR A 1 44 ? 1.458 11.598 -6.535 1.00 0.00 ? 44 TYR A CA 13 ATOM 18931 C C . TYR A 1 44 ? 2.004 12.503 -5.435 1.00 0.00 ? 44 TYR A C 13 ATOM 18932 O O . TYR A 1 44 ? 2.038 13.726 -5.580 1.00 0.00 ? 44 TYR A O 13 ATOM 18933 C CB . TYR A 1 44 ? -0.015 11.285 -6.269 1.00 0.00 ? 44 TYR A CB 13 ATOM 18934 C CG . TYR A 1 44 ? -0.872 12.516 -6.083 1.00 0.00 ? 44 TYR A CG 13 ATOM 18935 C CD1 . TYR A 1 44 ? -0.766 13.597 -6.950 1.00 0.00 ? 44 TYR A CD1 13 ATOM 18936 C CD2 . TYR A 1 44 ? -1.788 12.599 -5.041 1.00 0.00 ? 44 TYR A CD2 13 ATOM 18937 C CE1 . TYR A 1 44 ? -1.547 14.725 -6.784 1.00 0.00 ? 44 TYR A CE1 13 ATOM 18938 C CE2 . TYR A 1 44 ? -2.574 13.722 -4.869 1.00 0.00 ? 44 TYR A CE2 13 ATOM 18939 C CZ . TYR A 1 44 ? -2.449 14.782 -5.742 1.00 0.00 ? 44 TYR A CZ 13 ATOM 18940 O OH . TYR A 1 44 ? -3.229 15.903 -5.573 1.00 0.00 ? 44 TYR A OH 13 ATOM 18941 H H . TYR A 1 44 ? 1.769 9.505 -6.532 1.00 0.00 ? 44 TYR A H 13 ATOM 18942 H HA . TYR A 1 44 ? 1.541 12.112 -7.482 1.00 0.00 ? 44 TYR A HA 13 ATOM 18943 H HB2 . TYR A 1 44 ? -0.413 10.726 -7.102 1.00 0.00 ? 44 TYR A HB2 13 ATOM 18944 H HB3 . TYR A 1 44 ? -0.092 10.688 -5.372 1.00 0.00 ? 44 TYR A HB3 13 ATOM 18945 H HD1 . TYR A 1 44 ? -0.058 13.549 -7.765 1.00 0.00 ? 44 TYR A HD1 13 ATOM 18946 H HD2 . TYR A 1 44 ? -1.882 11.767 -4.359 1.00 0.00 ? 44 TYR A HD2 13 ATOM 18947 H HE1 . TYR A 1 44 ? -1.450 15.555 -7.467 1.00 0.00 ? 44 TYR A HE1 13 ATOM 18948 H HE2 . TYR A 1 44 ? -3.280 13.767 -4.053 1.00 0.00 ? 44 TYR A HE2 13 ATOM 18949 H HH . TYR A 1 44 ? -4.082 15.766 -5.993 1.00 0.00 ? 44 TYR A HH 13 ATOM 18950 N N . LEU A 1 45 ? 2.431 11.894 -4.334 1.00 0.00 ? 45 LEU A N 13 ATOM 18951 C CA . LEU A 1 45 ? 2.977 12.643 -3.208 1.00 0.00 ? 45 LEU A CA 13 ATOM 18952 C C . LEU A 1 45 ? 4.295 13.311 -3.585 1.00 0.00 ? 45 LEU A C 13 ATOM 18953 O O . LEU A 1 45 ? 4.541 14.464 -3.232 1.00 0.00 ? 45 LEU A O 13 ATOM 18954 C CB . LEU A 1 45 ? 3.187 11.717 -2.008 1.00 0.00 ? 45 LEU A CB 13 ATOM 18955 C CG . LEU A 1 45 ? 1.923 11.105 -1.403 1.00 0.00 ? 45 LEU A CG 13 ATOM 18956 C CD1 . LEU A 1 45 ? 2.274 10.218 -0.219 1.00 0.00 ? 45 LEU A CD1 13 ATOM 18957 C CD2 . LEU A 1 45 ? 0.950 12.198 -0.983 1.00 0.00 ? 45 LEU A CD2 13 ATOM 18958 H H . LEU A 1 45 ? 2.379 10.917 -4.277 1.00 0.00 ? 45 LEU A H 13 ATOM 18959 H HA . LEU A 1 45 ? 2.263 13.407 -2.941 1.00 0.00 ? 45 LEU A HA 13 ATOM 18960 H HB2 . LEU A 1 45 ? 3.827 10.907 -2.324 1.00 0.00 ? 45 LEU A HB2 13 ATOM 18961 H HB3 . LEU A 1 45 ? 3.683 12.286 -1.235 1.00 0.00 ? 45 LEU A HB3 13 ATOM 18962 H HG . LEU A 1 45 ? 1.436 10.490 -2.147 1.00 0.00 ? 45 LEU A HG 13 ATOM 18963 H HD11 . LEU A 1 45 ? 3.272 9.826 -0.346 1.00 0.00 ? 45 LEU A HD11 13 ATOM 18964 H HD12 . LEU A 1 45 ? 1.571 9.400 -0.161 1.00 0.00 ? 45 LEU A HD12 13 ATOM 18965 H HD13 . LEU A 1 45 ? 2.227 10.797 0.692 1.00 0.00 ? 45 LEU A HD13 13 ATOM 18966 H HD21 . LEU A 1 45 ? 0.334 12.473 -1.826 1.00 0.00 ? 45 LEU A HD21 13 ATOM 18967 H HD22 . LEU A 1 45 ? 1.504 13.062 -0.645 1.00 0.00 ? 45 LEU A HD22 13 ATOM 18968 H HD23 . LEU A 1 45 ? 0.324 11.834 -0.182 1.00 0.00 ? 45 LEU A HD23 13 ATOM 18969 N N . SER A 1 46 ? 5.138 12.580 -4.308 1.00 0.00 ? 46 SER A N 13 ATOM 18970 C CA . SER A 1 46 ? 6.431 13.102 -4.733 1.00 0.00 ? 46 SER A CA 13 ATOM 18971 C C . SER A 1 46 ? 6.256 14.271 -5.697 1.00 0.00 ? 46 SER A C 13 ATOM 18972 O O . SER A 1 46 ? 7.165 15.080 -5.880 1.00 0.00 ? 46 SER A O 13 ATOM 18973 C CB . SER A 1 46 ? 7.257 11.998 -5.397 1.00 0.00 ? 46 SER A CB 13 ATOM 18974 O OG . SER A 1 46 ? 8.643 12.277 -5.313 1.00 0.00 ? 46 SER A OG 13 ATOM 18975 H H . SER A 1 46 ? 4.884 11.667 -4.559 1.00 0.00 ? 46 SER A H 13 ATOM 18976 H HA . SER A 1 46 ? 6.953 13.450 -3.854 1.00 0.00 ? 46 SER A HA 13 ATOM 18977 H HB2 . SER A 1 46 ? 7.061 11.059 -4.903 1.00 0.00 ? 46 SER A HB2 13 ATOM 18978 H HB3 . SER A 1 46 ? 6.979 11.922 -6.438 1.00 0.00 ? 46 SER A HB3 13 ATOM 18979 H HG . SER A 1 46 ? 8.858 12.569 -4.424 1.00 0.00 ? 46 SER A HG 13 ATOM 18980 N N . GLU A 1 47 ? 5.079 14.352 -6.312 1.00 0.00 ? 47 GLU A N 13 ATOM 18981 C CA . GLU A 1 47 ? 4.784 15.421 -7.258 1.00 0.00 ? 47 GLU A CA 13 ATOM 18982 C C . GLU A 1 47 ? 4.254 16.656 -6.535 1.00 0.00 ? 47 GLU A C 13 ATOM 18983 O O . GLU A 1 47 ? 4.628 17.784 -6.856 1.00 0.00 ? 47 GLU A O 13 ATOM 18984 C CB . GLU A 1 47 ? 3.765 14.947 -8.296 1.00 0.00 ? 47 GLU A CB 13 ATOM 18985 C CG . GLU A 1 47 ? 4.395 14.275 -9.505 1.00 0.00 ? 47 GLU A CG 13 ATOM 18986 C CD . GLU A 1 47 ? 4.747 15.261 -10.602 1.00 0.00 ? 47 GLU A CD 13 ATOM 18987 O OE1 . GLU A 1 47 ? 4.050 16.290 -10.721 1.00 0.00 ? 47 GLU A OE1 13 ATOM 18988 O OE2 . GLU A 1 47 ? 5.719 15.003 -11.342 1.00 0.00 ? 47 GLU A OE2 13 ATOM 18989 H H . GLU A 1 47 ? 4.395 13.676 -6.124 1.00 0.00 ? 47 GLU A H 13 ATOM 18990 H HA . GLU A 1 47 ? 5.703 15.680 -7.762 1.00 0.00 ? 47 GLU A HA 13 ATOM 18991 H HB2 . GLU A 1 47 ? 3.093 14.243 -7.828 1.00 0.00 ? 47 GLU A HB2 13 ATOM 18992 H HB3 . GLU A 1 47 ? 3.197 15.799 -8.639 1.00 0.00 ? 47 GLU A HB3 13 ATOM 18993 H HG2 . GLU A 1 47 ? 5.297 13.771 -9.192 1.00 0.00 ? 47 GLU A HG2 13 ATOM 18994 H HG3 . GLU A 1 47 ? 3.699 13.551 -9.901 1.00 0.00 ? 47 GLU A HG3 13 ATOM 18995 N N . ALA A 1 48 ? 3.380 16.433 -5.560 1.00 0.00 ? 48 ALA A N 13 ATOM 18996 C CA . ALA A 1 48 ? 2.799 17.527 -4.791 1.00 0.00 ? 48 ALA A CA 13 ATOM 18997 C C . ALA A 1 48 ? 3.884 18.426 -4.208 1.00 0.00 ? 48 ALA A C 13 ATOM 18998 O O . ALA A 1 48 ? 3.912 19.628 -4.468 1.00 0.00 ? 48 ALA A O 13 ATOM 18999 C CB . ALA A 1 48 ? 1.912 16.979 -3.681 1.00 0.00 ? 48 ALA A CB 13 ATOM 19000 H H . ALA A 1 48 ? 3.121 15.512 -5.351 1.00 0.00 ? 48 ALA A H 13 ATOM 19001 H HA . ALA A 1 48 ? 2.180 18.111 -5.456 1.00 0.00 ? 48 ALA A HA 13 ATOM 19002 H HB1 . ALA A 1 48 ? 1.329 17.784 -3.258 1.00 0.00 ? 48 ALA A HB1 13 ATOM 19003 H HB2 . ALA A 1 48 ? 1.251 16.229 -4.087 1.00 0.00 ? 48 ALA A HB2 13 ATOM 19004 H HB3 . ALA A 1 48 ? 2.529 16.539 -2.913 1.00 0.00 ? 48 ALA A HB3 13 ATOM 19005 N N . MET A 1 49 ? 4.775 17.834 -3.419 1.00 0.00 ? 49 MET A N 13 ATOM 19006 C CA . MET A 1 49 ? 5.863 18.583 -2.800 1.00 0.00 ? 49 MET A CA 13 ATOM 19007 C C . MET A 1 49 ? 6.717 19.275 -3.857 1.00 0.00 ? 49 MET A C 13 ATOM 19008 O O . MET A 1 49 ? 7.303 20.328 -3.605 1.00 0.00 ? 49 MET A O 13 ATOM 19009 C CB . MET A 1 49 ? 6.733 17.652 -1.953 1.00 0.00 ? 49 MET A CB 13 ATOM 19010 C CG . MET A 1 49 ? 7.284 16.465 -2.726 1.00 0.00 ? 49 MET A CG 13 ATOM 19011 S SD . MET A 1 49 ? 8.115 15.269 -1.663 1.00 0.00 ? 49 MET A SD 13 ATOM 19012 C CE . MET A 1 49 ? 6.971 15.186 -0.287 1.00 0.00 ? 49 MET A CE 13 ATOM 19013 H H . MET A 1 49 ? 4.700 16.872 -3.249 1.00 0.00 ? 49 MET A H 13 ATOM 19014 H HA . MET A 1 49 ? 5.425 19.333 -2.159 1.00 0.00 ? 49 MET A HA 13 ATOM 19015 H HB2 . MET A 1 49 ? 7.566 18.216 -1.560 1.00 0.00 ? 49 MET A HB2 13 ATOM 19016 H HB3 . MET A 1 49 ? 6.144 17.276 -1.130 1.00 0.00 ? 49 MET A HB3 13 ATOM 19017 H HG2 . MET A 1 49 ? 6.468 15.970 -3.230 1.00 0.00 ? 49 MET A HG2 13 ATOM 19018 H HG3 . MET A 1 49 ? 7.990 16.827 -3.459 1.00 0.00 ? 49 MET A HG3 13 ATOM 19019 H HE1 . MET A 1 49 ? 7.207 15.963 0.425 1.00 0.00 ? 49 MET A HE1 13 ATOM 19020 H HE2 . MET A 1 49 ? 5.963 15.325 -0.650 1.00 0.00 ? 49 MET A HE2 13 ATOM 19021 H HE3 . MET A 1 49 ? 7.053 14.221 0.191 1.00 0.00 ? 49 MET A HE3 13 ATOM 19022 N N . LYS A 1 50 ? 6.784 18.677 -5.042 1.00 0.00 ? 50 LYS A N 13 ATOM 19023 C CA . LYS A 1 50 ? 7.565 19.236 -6.138 1.00 0.00 ? 50 LYS A CA 13 ATOM 19024 C C . LYS A 1 50 ? 6.825 20.395 -6.799 1.00 0.00 ? 50 LYS A C 13 ATOM 19025 O O . LYS A 1 50 ? 7.340 21.030 -7.720 1.00 0.00 ? 50 LYS A O 13 ATOM 19026 C CB . LYS A 1 50 ? 7.871 18.154 -7.177 1.00 0.00 ? 50 LYS A CB 13 ATOM 19027 C CG . LYS A 1 50 ? 9.084 17.307 -6.833 1.00 0.00 ? 50 LYS A CG 13 ATOM 19028 C CD . LYS A 1 50 ? 9.184 16.086 -7.733 1.00 0.00 ? 50 LYS A CD 13 ATOM 19029 C CE . LYS A 1 50 ? 9.771 16.441 -9.090 1.00 0.00 ? 50 LYS A CE 13 ATOM 19030 N NZ . LYS A 1 50 ? 9.391 15.450 -10.135 1.00 0.00 ? 50 LYS A NZ 13 ATOM 19031 H H . LYS A 1 50 ? 6.294 17.839 -5.182 1.00 0.00 ? 50 LYS A H 13 ATOM 19032 H HA . LYS A 1 50 ? 8.494 19.604 -5.730 1.00 0.00 ? 50 LYS A HA 13 ATOM 19033 H HB2 . LYS A 1 50 ? 7.015 17.502 -7.263 1.00 0.00 ? 50 LYS A HB2 13 ATOM 19034 H HB3 . LYS A 1 50 ? 8.049 18.629 -8.131 1.00 0.00 ? 50 LYS A HB3 13 ATOM 19035 H HG2 . LYS A 1 50 ? 9.975 17.904 -6.954 1.00 0.00 ? 50 LYS A HG2 13 ATOM 19036 H HG3 . LYS A 1 50 ? 9.004 16.980 -5.806 1.00 0.00 ? 50 LYS A HG3 13 ATOM 19037 H HD2 . LYS A 1 50 ? 9.820 15.352 -7.260 1.00 0.00 ? 50 LYS A HD2 13 ATOM 19038 H HD3 . LYS A 1 50 ? 8.196 15.672 -7.874 1.00 0.00 ? 50 LYS A HD3 13 ATOM 19039 H HE2 . LYS A 1 50 ? 9.407 17.415 -9.381 1.00 0.00 ? 50 LYS A HE2 13 ATOM 19040 H HE3 . LYS A 1 50 ? 10.847 16.470 -9.007 1.00 0.00 ? 50 LYS A HE3 13 ATOM 19041 H HZ1 . LYS A 1 50 ? 8.402 15.593 -10.420 1.00 0.00 ? 50 LYS A HZ1 13 ATOM 19042 H HZ2 . LYS A 1 50 ? 9.497 14.484 -9.765 1.00 0.00 ? 50 LYS A HZ2 13 ATOM 19043 H HZ3 . LYS A 1 50 ? 10.001 15.559 -10.970 1.00 0.00 ? 50 LYS A HZ3 13 ATOM 19044 N N . LEU A 1 51 ? 5.615 20.666 -6.322 1.00 0.00 ? 51 LEU A N 13 ATOM 19045 C CA . LEU A 1 51 ? 4.804 21.750 -6.866 1.00 0.00 ? 51 LEU A CA 13 ATOM 19046 C C . LEU A 1 51 ? 4.563 22.829 -5.815 1.00 0.00 ? 51 LEU A C 13 ATOM 19047 O O . LEU A 1 51 ? 4.860 24.003 -6.035 1.00 0.00 ? 51 LEU A O 13 ATOM 19048 C CB . LEU A 1 51 ? 3.467 21.208 -7.373 1.00 0.00 ? 51 LEU A CB 13 ATOM 19049 C CG . LEU A 1 51 ? 2.394 22.252 -7.686 1.00 0.00 ? 51 LEU A CG 13 ATOM 19050 C CD1 . LEU A 1 51 ? 2.737 23.004 -8.962 1.00 0.00 ? 51 LEU A CD1 13 ATOM 19051 C CD2 . LEU A 1 51 ? 1.027 21.594 -7.802 1.00 0.00 ? 51 LEU A CD2 13 ATOM 19052 H H . LEU A 1 51 ? 5.257 20.125 -5.588 1.00 0.00 ? 51 LEU A H 13 ATOM 19053 H HA . LEU A 1 51 ? 5.344 22.185 -7.693 1.00 0.00 ? 51 LEU A HA 13 ATOM 19054 H HB2 . LEU A 1 51 ? 3.657 20.650 -8.277 1.00 0.00 ? 51 LEU A HB2 13 ATOM 19055 H HB3 . LEU A 1 51 ? 3.072 20.543 -6.618 1.00 0.00 ? 51 LEU A HB3 13 ATOM 19056 H HG . LEU A 1 51 ? 2.353 22.970 -6.878 1.00 0.00 ? 51 LEU A HG 13 ATOM 19057 H HD11 . LEU A 1 51 ? 1.854 23.088 -9.578 1.00 0.00 ? 51 LEU A HD11 13 ATOM 19058 H HD12 . LEU A 1 51 ? 3.502 22.466 -9.502 1.00 0.00 ? 51 LEU A HD12 13 ATOM 19059 H HD13 . LEU A 1 51 ? 3.098 23.991 -8.713 1.00 0.00 ? 51 LEU A HD13 13 ATOM 19060 H HD21 . LEU A 1 51 ? 0.426 22.138 -8.516 1.00 0.00 ? 51 LEU A HD21 13 ATOM 19061 H HD22 . LEU A 1 51 ? 0.539 21.606 -6.839 1.00 0.00 ? 51 LEU A HD22 13 ATOM 19062 H HD23 . LEU A 1 51 ? 1.146 20.574 -8.134 1.00 0.00 ? 51 LEU A HD23 13 ATOM 19063 N N . THR A 1 52 ? 4.023 22.422 -4.670 1.00 0.00 ? 52 THR A N 13 ATOM 19064 C CA . THR A 1 52 ? 3.743 23.353 -3.584 1.00 0.00 ? 52 THR A CA 13 ATOM 19065 C C . THR A 1 52 ? 4.831 24.416 -3.476 1.00 0.00 ? 52 THR A C 13 ATOM 19066 O O . THR A 1 52 ? 4.539 25.605 -3.358 1.00 0.00 ? 52 THR A O 13 ATOM 19067 C CB . THR A 1 52 ? 3.620 22.621 -2.234 1.00 0.00 ? 52 THR A CB 13 ATOM 19068 O OG1 . THR A 1 52 ? 3.512 23.573 -1.169 1.00 0.00 ? 52 THR A OG1 13 ATOM 19069 C CG2 . THR A 1 52 ? 4.823 21.721 -1.996 1.00 0.00 ? 52 THR A CG2 13 ATOM 19070 H H . THR A 1 52 ? 3.808 21.473 -4.554 1.00 0.00 ? 52 THR A H 13 ATOM 19071 H HA . THR A 1 52 ? 2.800 23.837 -3.794 1.00 0.00 ? 52 THR A HA 13 ATOM 19072 H HB . THR A 1 52 ? 2.729 22.010 -2.253 1.00 0.00 ? 52 THR A HB 13 ATOM 19073 H HG1 . THR A 1 52 ? 2.888 24.260 -1.417 1.00 0.00 ? 52 THR A HG1 13 ATOM 19074 H HG21 . THR A 1 52 ? 5.674 22.324 -1.716 1.00 0.00 ? 52 THR A HG21 13 ATOM 19075 H HG22 . THR A 1 52 ? 5.049 21.175 -2.900 1.00 0.00 ? 52 THR A HG22 13 ATOM 19076 H HG23 . THR A 1 52 ? 4.599 21.025 -1.201 1.00 0.00 ? 52 THR A HG23 13 ATOM 19077 N N . GLU A 1 53 ? 6.085 23.978 -3.519 1.00 0.00 ? 53 GLU A N 13 ATOM 19078 C CA . GLU A 1 53 ? 7.216 24.894 -3.425 1.00 0.00 ? 53 GLU A CA 13 ATOM 19079 C C . GLU A 1 53 ? 7.220 25.618 -2.082 1.00 0.00 ? 53 GLU A C 13 ATOM 19080 O O . GLU A 1 53 ? 7.690 26.752 -1.978 1.00 0.00 ? 53 GLU A O 13 ATOM 19081 C CB . GLU A 1 53 ? 7.172 25.912 -4.567 1.00 0.00 ? 53 GLU A CB 13 ATOM 19082 C CG . GLU A 1 53 ? 8.545 26.381 -5.018 1.00 0.00 ? 53 GLU A CG 13 ATOM 19083 C CD . GLU A 1 53 ? 9.359 26.977 -3.886 1.00 0.00 ? 53 GLU A CD 13 ATOM 19084 O OE1 . GLU A 1 53 ? 9.932 26.200 -3.094 1.00 0.00 ? 53 GLU A OE1 13 ATOM 19085 O OE2 . GLU A 1 53 ? 9.423 28.221 -3.792 1.00 0.00 ? 53 GLU A OE2 13 ATOM 19086 H H . GLU A 1 53 ? 6.254 23.018 -3.614 1.00 0.00 ? 53 GLU A H 13 ATOM 19087 H HA . GLU A 1 53 ? 8.122 24.312 -3.510 1.00 0.00 ? 53 GLU A HA 13 ATOM 19088 H HB2 . GLU A 1 53 ? 6.670 25.466 -5.412 1.00 0.00 ? 53 GLU A HB2 13 ATOM 19089 H HB3 . GLU A 1 53 ? 6.610 26.775 -4.241 1.00 0.00 ? 53 GLU A HB3 13 ATOM 19090 H HG2 . GLU A 1 53 ? 9.084 25.537 -5.423 1.00 0.00 ? 53 GLU A HG2 13 ATOM 19091 H HG3 . GLU A 1 53 ? 8.421 27.130 -5.786 1.00 0.00 ? 53 GLU A HG3 13 ATOM 19092 N N . SER A 1 54 ? 6.694 24.956 -1.058 1.00 0.00 ? 54 SER A N 13 ATOM 19093 C CA . SER A 1 54 ? 6.632 25.538 0.278 1.00 0.00 ? 54 SER A CA 13 ATOM 19094 C C . SER A 1 54 ? 7.341 24.645 1.292 1.00 0.00 ? 54 SER A C 13 ATOM 19095 O O . SER A 1 54 ? 7.631 23.482 1.015 1.00 0.00 ? 54 SER A O 13 ATOM 19096 C CB . SER A 1 54 ? 5.176 25.750 0.699 1.00 0.00 ? 54 SER A CB 13 ATOM 19097 O OG . SER A 1 54 ? 5.082 26.690 1.755 1.00 0.00 ? 54 SER A OG 13 ATOM 19098 H H . SER A 1 54 ? 6.335 24.055 -1.204 1.00 0.00 ? 54 SER A H 13 ATOM 19099 H HA . SER A 1 54 ? 7.132 26.494 0.246 1.00 0.00 ? 54 SER A HA 13 ATOM 19100 H HB2 . SER A 1 54 ? 4.611 26.116 -0.145 1.00 0.00 ? 54 SER A HB2 13 ATOM 19101 H HB3 . SER A 1 54 ? 4.760 24.810 1.031 1.00 0.00 ? 54 SER A HB3 13 ATOM 19102 H HG . SER A 1 54 ? 5.446 26.308 2.557 1.00 0.00 ? 54 SER A HG 13 ATOM 19103 N N . GLU A 1 55 ? 7.618 25.201 2.468 1.00 0.00 ? 55 GLU A N 13 ATOM 19104 C CA . GLU A 1 55 ? 8.295 24.456 3.523 1.00 0.00 ? 55 GLU A CA 13 ATOM 19105 C C . GLU A 1 55 ? 7.308 23.575 4.285 1.00 0.00 ? 55 GLU A C 13 ATOM 19106 O O . GLU A 1 55 ? 7.383 22.348 4.225 1.00 0.00 ? 55 GLU A O 13 ATOM 19107 C CB . GLU A 1 55 ? 8.990 25.416 4.491 1.00 0.00 ? 55 GLU A CB 13 ATOM 19108 C CG . GLU A 1 55 ? 10.085 24.761 5.316 1.00 0.00 ? 55 GLU A CG 13 ATOM 19109 C CD . GLU A 1 55 ? 10.833 25.754 6.185 1.00 0.00 ? 55 GLU A CD 13 ATOM 19110 O OE1 . GLU A 1 55 ? 11.486 26.659 5.625 1.00 0.00 ? 55 GLU A OE1 13 ATOM 19111 O OE2 . GLU A 1 55 ? 10.765 25.624 7.425 1.00 0.00 ? 55 GLU A OE2 13 ATOM 19112 H H . GLU A 1 55 ? 7.362 26.133 2.629 1.00 0.00 ? 55 GLU A H 13 ATOM 19113 H HA . GLU A 1 55 ? 9.038 23.825 3.060 1.00 0.00 ? 55 GLU A HA 13 ATOM 19114 H HB2 . GLU A 1 55 ? 9.429 26.224 3.924 1.00 0.00 ? 55 GLU A HB2 13 ATOM 19115 H HB3 . GLU A 1 55 ? 8.253 25.822 5.167 1.00 0.00 ? 55 GLU A HB3 13 ATOM 19116 H HG2 . GLU A 1 55 ? 9.640 24.012 5.953 1.00 0.00 ? 55 GLU A HG2 13 ATOM 19117 H HG3 . GLU A 1 55 ? 10.789 24.289 4.646 1.00 0.00 ? 55 GLU A HG3 13 ATOM 19118 N N . GLN A 1 56 ? 6.387 24.211 5.001 1.00 0.00 ? 56 GLN A N 13 ATOM 19119 C CA . GLN A 1 56 ? 5.387 23.486 5.776 1.00 0.00 ? 56 GLN A CA 13 ATOM 19120 C C . GLN A 1 56 ? 4.666 22.459 4.908 1.00 0.00 ? 56 GLN A C 13 ATOM 19121 O O . GLN A 1 56 ? 4.697 21.261 5.192 1.00 0.00 ? 56 GLN A O 13 ATOM 19122 C CB . GLN A 1 56 ? 4.374 24.460 6.381 1.00 0.00 ? 56 GLN A CB 13 ATOM 19123 C CG . GLN A 1 56 ? 4.835 25.081 7.690 1.00 0.00 ? 56 GLN A CG 13 ATOM 19124 C CD . GLN A 1 56 ? 4.601 24.172 8.881 1.00 0.00 ? 56 GLN A CD 13 ATOM 19125 O OE1 . GLN A 1 56 ? 3.630 24.337 9.620 1.00 0.00 ? 56 GLN A OE1 13 ATOM 19126 N NE2 . GLN A 1 56 ? 5.492 23.206 9.073 1.00 0.00 ? 56 GLN A NE2 13 ATOM 19127 H H . GLN A 1 56 ? 6.379 25.190 5.008 1.00 0.00 ? 56 GLN A H 13 ATOM 19128 H HA . GLN A 1 56 ? 5.897 22.969 6.574 1.00 0.00 ? 56 GLN A HA 13 ATOM 19129 H HB2 . GLN A 1 56 ? 4.192 25.255 5.674 1.00 0.00 ? 56 GLN A HB2 13 ATOM 19130 H HB3 . GLN A 1 56 ? 3.450 23.932 6.564 1.00 0.00 ? 56 GLN A HB3 13 ATOM 19131 H HG2 . GLN A 1 56 ? 5.892 25.292 7.621 1.00 0.00 ? 56 GLN A HG2 13 ATOM 19132 H HG3 . GLN A 1 56 ? 4.294 26.002 7.846 1.00 0.00 ? 56 GLN A HG3 13 ATOM 19133 H HE21 . GLN A 1 56 ? 6.241 23.137 8.444 1.00 0.00 ? 56 GLN A HE21 13 ATOM 19134 H HE22 . GLN A 1 56 ? 5.365 22.606 9.836 1.00 0.00 ? 56 GLN A HE22 13 ATOM 19135 N N . ALA A 1 57 ? 4.018 22.935 3.851 1.00 0.00 ? 57 ALA A N 13 ATOM 19136 C CA . ALA A 1 57 ? 3.291 22.058 2.941 1.00 0.00 ? 57 ALA A CA 13 ATOM 19137 C C . ALA A 1 57 ? 4.124 20.835 2.575 1.00 0.00 ? 57 ALA A C 13 ATOM 19138 O O . ALA A 1 57 ? 3.667 19.699 2.704 1.00 0.00 ? 57 ALA A O 13 ATOM 19139 C CB . ALA A 1 57 ? 2.885 22.818 1.687 1.00 0.00 ? 57 ALA A CB 13 ATOM 19140 H H . ALA A 1 57 ? 4.030 23.900 3.677 1.00 0.00 ? 57 ALA A H 13 ATOM 19141 H HA . ALA A 1 57 ? 2.390 21.732 3.441 1.00 0.00 ? 57 ALA A HA 13 ATOM 19142 H HB1 . ALA A 1 57 ? 1.963 22.408 1.301 1.00 0.00 ? 57 ALA A HB1 13 ATOM 19143 H HB2 . ALA A 1 57 ? 2.743 23.861 1.928 1.00 0.00 ? 57 ALA A HB2 13 ATOM 19144 H HB3 . ALA A 1 57 ? 3.661 22.723 0.942 1.00 0.00 ? 57 ALA A HB3 13 ATOM 19145 N N . HIS A 1 58 ? 5.348 21.074 2.117 1.00 0.00 ? 58 HIS A N 13 ATOM 19146 C CA . HIS A 1 58 ? 6.246 19.991 1.731 1.00 0.00 ? 58 HIS A CA 13 ATOM 19147 C C . HIS A 1 58 ? 6.444 19.013 2.885 1.00 0.00 ? 58 HIS A C 13 ATOM 19148 O O . HIS A 1 58 ? 6.323 17.799 2.712 1.00 0.00 ? 58 HIS A O 13 ATOM 19149 C CB . HIS A 1 58 ? 7.596 20.553 1.286 1.00 0.00 ? 58 HIS A CB 13 ATOM 19150 C CG . HIS A 1 58 ? 8.562 19.502 0.831 1.00 0.00 ? 58 HIS A CG 13 ATOM 19151 N ND1 . HIS A 1 58 ? 8.880 18.394 1.587 1.00 0.00 ? 58 HIS A ND1 13 ATOM 19152 C CD2 . HIS A 1 58 ? 9.278 19.394 -0.312 1.00 0.00 ? 58 HIS A CD2 13 ATOM 19153 C CE1 . HIS A 1 58 ? 9.752 17.651 0.930 1.00 0.00 ? 58 HIS A CE1 13 ATOM 19154 N NE2 . HIS A 1 58 ? 10.010 18.236 -0.226 1.00 0.00 ? 58 HIS A NE2 13 ATOM 19155 H H . HIS A 1 58 ? 5.656 22.001 2.036 1.00 0.00 ? 58 HIS A H 13 ATOM 19156 H HA . HIS A 1 58 ? 5.794 19.465 0.904 1.00 0.00 ? 58 HIS A HA 13 ATOM 19157 H HB2 . HIS A 1 58 ? 7.441 21.238 0.466 1.00 0.00 ? 58 HIS A HB2 13 ATOM 19158 H HB3 . HIS A 1 58 ? 8.048 21.084 2.112 1.00 0.00 ? 58 HIS A HB3 13 ATOM 19159 H HD1 . HIS A 1 58 ? 8.522 18.185 2.475 1.00 0.00 ? 58 HIS A HD1 13 ATOM 19160 H HD2 . HIS A 1 58 ? 9.276 20.090 -1.139 1.00 0.00 ? 58 HIS A HD2 13 ATOM 19161 H HE1 . HIS A 1 58 ? 10.182 16.723 1.278 1.00 0.00 ? 58 HIS A HE1 13 ATOM 19162 H HE2 . HIS A 1 58 ? 10.688 17.940 -0.869 1.00 0.00 ? 58 HIS A HE2 13 ATOM 19163 N N . LEU A 1 59 ? 6.749 19.548 4.062 1.00 0.00 ? 59 LEU A N 13 ATOM 19164 C CA . LEU A 1 59 ? 6.965 18.723 5.245 1.00 0.00 ? 59 LEU A CA 13 ATOM 19165 C C . LEU A 1 59 ? 5.796 17.767 5.463 1.00 0.00 ? 59 LEU A C 13 ATOM 19166 O O . LEU A 1 59 ? 5.992 16.577 5.708 1.00 0.00 ? 59 LEU A O 13 ATOM 19167 C CB . LEU A 1 59 ? 7.154 19.606 6.480 1.00 0.00 ? 59 LEU A CB 13 ATOM 19168 C CG . LEU A 1 59 ? 8.591 20.020 6.796 1.00 0.00 ? 59 LEU A CG 13 ATOM 19169 C CD1 . LEU A 1 59 ? 9.289 20.526 5.543 1.00 0.00 ? 59 LEU A CD1 13 ATOM 19170 C CD2 . LEU A 1 59 ? 8.613 21.080 7.887 1.00 0.00 ? 59 LEU A CD2 13 ATOM 19171 H H . LEU A 1 59 ? 6.832 20.521 4.138 1.00 0.00 ? 59 LEU A H 13 ATOM 19172 H HA . LEU A 1 59 ? 7.863 18.144 5.086 1.00 0.00 ? 59 LEU A HA 13 ATOM 19173 H HB2 . LEU A 1 59 ? 6.575 20.505 6.335 1.00 0.00 ? 59 LEU A HB2 13 ATOM 19174 H HB3 . LEU A 1 59 ? 6.768 19.066 7.334 1.00 0.00 ? 59 LEU A HB3 13 ATOM 19175 H HG . LEU A 1 59 ? 9.136 19.158 7.156 1.00 0.00 ? 59 LEU A HG 13 ATOM 19176 H HD11 . LEU A 1 59 ? 9.069 21.574 5.408 1.00 0.00 ? 59 LEU A HD11 13 ATOM 19177 H HD12 . LEU A 1 59 ? 8.937 19.971 4.686 1.00 0.00 ? 59 LEU A HD12 13 ATOM 19178 H HD13 . LEU A 1 59 ? 10.355 20.391 5.646 1.00 0.00 ? 59 LEU A HD13 13 ATOM 19179 H HD21 . LEU A 1 59 ? 7.993 21.913 7.591 1.00 0.00 ? 59 LEU A HD21 13 ATOM 19180 H HD22 . LEU A 1 59 ? 9.627 21.422 8.037 1.00 0.00 ? 59 LEU A HD22 13 ATOM 19181 H HD23 . LEU A 1 59 ? 8.235 20.659 8.807 1.00 0.00 ? 59 LEU A HD23 13 ATOM 19182 N N . SER A 1 60 ? 4.581 18.296 5.370 1.00 0.00 ? 60 SER A N 13 ATOM 19183 C CA . SER A 1 60 ? 3.380 17.491 5.559 1.00 0.00 ? 60 SER A CA 13 ATOM 19184 C C . SER A 1 60 ? 3.380 16.288 4.620 1.00 0.00 ? 60 SER A C 13 ATOM 19185 O O . SER A 1 60 ? 2.701 15.291 4.870 1.00 0.00 ? 60 SER A O 13 ATOM 19186 C CB . SER A 1 60 ? 2.129 18.339 5.320 1.00 0.00 ? 60 SER A CB 13 ATOM 19187 O OG . SER A 1 60 ? 1.733 19.009 6.504 1.00 0.00 ? 60 SER A OG 13 ATOM 19188 H H . SER A 1 60 ? 4.490 19.252 5.173 1.00 0.00 ? 60 SER A H 13 ATOM 19189 H HA . SER A 1 60 ? 3.375 17.137 6.579 1.00 0.00 ? 60 SER A HA 13 ATOM 19190 H HB2 . SER A 1 60 ? 2.335 19.074 4.557 1.00 0.00 ? 60 SER A HB2 13 ATOM 19191 H HB3 . SER A 1 60 ? 1.321 17.699 4.994 1.00 0.00 ? 60 SER A HB3 13 ATOM 19192 H HG . SER A 1 60 ? 2.512 19.262 7.004 1.00 0.00 ? 60 SER A HG 13 ATOM 19193 N N . LEU A 1 61 ? 4.145 16.389 3.539 1.00 0.00 ? 61 LEU A N 13 ATOM 19194 C CA . LEU A 1 61 ? 4.235 15.310 2.561 1.00 0.00 ? 61 LEU A CA 13 ATOM 19195 C C . LEU A 1 61 ? 5.413 14.392 2.871 1.00 0.00 ? 61 LEU A C 13 ATOM 19196 O O . LEU A 1 61 ? 5.236 13.195 3.093 1.00 0.00 ? 61 LEU A O 13 ATOM 19197 C CB . LEU A 1 61 ? 4.378 15.885 1.151 1.00 0.00 ? 61 LEU A CB 13 ATOM 19198 C CG . LEU A 1 61 ? 3.340 16.931 0.743 1.00 0.00 ? 61 LEU A CG 13 ATOM 19199 C CD1 . LEU A 1 61 ? 3.791 17.673 -0.505 1.00 0.00 ? 61 LEU A CD1 13 ATOM 19200 C CD2 . LEU A 1 61 ? 1.984 16.277 0.517 1.00 0.00 ? 61 LEU A CD2 13 ATOM 19201 H H . LEU A 1 61 ? 4.663 17.208 3.394 1.00 0.00 ? 61 LEU A H 13 ATOM 19202 H HA . LEU A 1 61 ? 3.322 14.737 2.617 1.00 0.00 ? 61 LEU A HA 13 ATOM 19203 H HB2 . LEU A 1 61 ? 5.353 16.341 1.077 1.00 0.00 ? 61 LEU A HB2 13 ATOM 19204 H HB3 . LEU A 1 61 ? 4.313 15.063 0.452 1.00 0.00 ? 61 LEU A HB3 13 ATOM 19205 H HG . LEU A 1 61 ? 3.234 17.654 1.541 1.00 0.00 ? 61 LEU A HG 13 ATOM 19206 H HD11 . LEU A 1 61 ? 4.061 16.960 -1.269 1.00 0.00 ? 61 LEU A HD11 13 ATOM 19207 H HD12 . LEU A 1 61 ? 4.646 18.289 -0.268 1.00 0.00 ? 61 LEU A HD12 13 ATOM 19208 H HD13 . LEU A 1 61 ? 2.986 18.298 -0.863 1.00 0.00 ? 61 LEU A HD13 13 ATOM 19209 H HD21 . LEU A 1 61 ? 1.245 17.040 0.323 1.00 0.00 ? 61 LEU A HD21 13 ATOM 19210 H HD22 . LEU A 1 61 ? 1.703 15.718 1.398 1.00 0.00 ? 61 LEU A HD22 13 ATOM 19211 H HD23 . LEU A 1 61 ? 2.044 15.609 -0.330 1.00 0.00 ? 61 LEU A HD23 13 ATOM 19212 N N . GLU A 1 62 ? 6.614 14.962 2.885 1.00 0.00 ? 62 GLU A N 13 ATOM 19213 C CA . GLU A 1 62 ? 7.820 14.193 3.168 1.00 0.00 ? 62 GLU A CA 13 ATOM 19214 C C . GLU A 1 62 ? 7.586 13.218 4.318 1.00 0.00 ? 62 GLU A C 13 ATOM 19215 O O . GLU A 1 62 ? 8.262 12.194 4.427 1.00 0.00 ? 62 GLU A O 13 ATOM 19216 C CB . GLU A 1 62 ? 8.980 15.131 3.508 1.00 0.00 ? 62 GLU A CB 13 ATOM 19217 C CG . GLU A 1 62 ? 9.036 15.524 4.975 1.00 0.00 ? 62 GLU A CG 13 ATOM 19218 C CD . GLU A 1 62 ? 10.254 16.363 5.309 1.00 0.00 ? 62 GLU A CD 13 ATOM 19219 O OE1 . GLU A 1 62 ? 11.374 15.811 5.299 1.00 0.00 ? 62 GLU A OE1 13 ATOM 19220 O OE2 . GLU A 1 62 ? 10.087 17.570 5.580 1.00 0.00 ? 62 GLU A OE2 13 ATOM 19221 H H . GLU A 1 62 ? 6.690 15.921 2.699 1.00 0.00 ? 62 GLU A H 13 ATOM 19222 H HA . GLU A 1 62 ? 8.071 13.632 2.282 1.00 0.00 ? 62 GLU A HA 13 ATOM 19223 H HB2 . GLU A 1 62 ? 9.909 14.643 3.252 1.00 0.00 ? 62 GLU A HB2 13 ATOM 19224 H HB3 . GLU A 1 62 ? 8.884 16.031 2.920 1.00 0.00 ? 62 GLU A HB3 13 ATOM 19225 H HG2 . GLU A 1 62 ? 8.149 16.092 5.216 1.00 0.00 ? 62 GLU A HG2 13 ATOM 19226 H HG3 . GLU A 1 62 ? 9.060 14.626 5.575 1.00 0.00 ? 62 GLU A HG3 13 ATOM 19227 N N . LEU A 1 63 ? 6.624 13.543 5.175 1.00 0.00 ? 63 LEU A N 13 ATOM 19228 C CA . LEU A 1 63 ? 6.300 12.697 6.318 1.00 0.00 ? 63 LEU A CA 13 ATOM 19229 C C . LEU A 1 63 ? 5.268 11.640 5.938 1.00 0.00 ? 63 LEU A C 13 ATOM 19230 O O . LEU A 1 63 ? 5.413 10.467 6.280 1.00 0.00 ? 63 LEU A O 13 ATOM 19231 C CB . LEU A 1 63 ? 5.772 13.548 7.475 1.00 0.00 ? 63 LEU A CB 13 ATOM 19232 C CG . LEU A 1 63 ? 6.797 14.445 8.170 1.00 0.00 ? 63 LEU A CG 13 ATOM 19233 C CD1 . LEU A 1 63 ? 6.098 15.508 9.003 1.00 0.00 ? 63 LEU A CD1 13 ATOM 19234 C CD2 . LEU A 1 63 ? 7.732 13.615 9.036 1.00 0.00 ? 63 LEU A CD2 13 ATOM 19235 H H . LEU A 1 63 ? 6.120 14.371 5.037 1.00 0.00 ? 63 LEU A H 13 ATOM 19236 H HA . LEU A 1 63 ? 7.207 12.201 6.631 1.00 0.00 ? 63 LEU A HA 13 ATOM 19237 H HB2 . LEU A 1 63 ? 4.987 14.180 7.089 1.00 0.00 ? 63 LEU A HB2 13 ATOM 19238 H HB3 . LEU A 1 63 ? 5.361 12.878 8.216 1.00 0.00 ? 63 LEU A HB3 13 ATOM 19239 H HG . LEU A 1 63 ? 7.393 14.948 7.420 1.00 0.00 ? 63 LEU A HG 13 ATOM 19240 H HD11 . LEU A 1 63 ? 5.565 16.184 8.351 1.00 0.00 ? 63 LEU A HD11 13 ATOM 19241 H HD12 . LEU A 1 63 ? 6.832 16.060 9.571 1.00 0.00 ? 63 LEU A HD12 13 ATOM 19242 H HD13 . LEU A 1 63 ? 5.401 15.034 9.679 1.00 0.00 ? 63 LEU A HD13 13 ATOM 19243 H HD21 . LEU A 1 63 ? 8.663 14.146 9.171 1.00 0.00 ? 63 LEU A HD21 13 ATOM 19244 H HD22 . LEU A 1 63 ? 7.924 12.668 8.554 1.00 0.00 ? 63 LEU A HD22 13 ATOM 19245 H HD23 . LEU A 1 63 ? 7.273 13.443 9.999 1.00 0.00 ? 63 LEU A HD23 13 ATOM 19246 N N . GLN A 1 64 ? 4.228 12.064 5.227 1.00 0.00 ? 64 GLN A N 13 ATOM 19247 C CA . GLN A 1 64 ? 3.174 11.153 4.799 1.00 0.00 ? 64 GLN A CA 13 ATOM 19248 C C . GLN A 1 64 ? 3.721 10.095 3.847 1.00 0.00 ? 64 GLN A C 13 ATOM 19249 O O . GLN A 1 64 ? 3.234 8.965 3.813 1.00 0.00 ? 64 GLN A O 13 ATOM 19250 C CB . GLN A 1 64 ? 2.043 11.930 4.122 1.00 0.00 ? 64 GLN A CB 13 ATOM 19251 C CG . GLN A 1 64 ? 0.878 11.055 3.689 1.00 0.00 ? 64 GLN A CG 13 ATOM 19252 C CD . GLN A 1 64 ? -0.446 11.794 3.710 1.00 0.00 ? 64 GLN A CD 13 ATOM 19253 O OE1 . GLN A 1 64 ? -1.100 11.948 2.678 1.00 0.00 ? 64 GLN A OE1 13 ATOM 19254 N NE2 . GLN A 1 64 ? -0.848 12.257 4.888 1.00 0.00 ? 64 GLN A NE2 13 ATOM 19255 H H . GLN A 1 64 ? 4.169 13.011 4.985 1.00 0.00 ? 64 GLN A H 13 ATOM 19256 H HA . GLN A 1 64 ? 2.784 10.661 5.677 1.00 0.00 ? 64 GLN A HA 13 ATOM 19257 H HB2 . GLN A 1 64 ? 1.671 12.674 4.810 1.00 0.00 ? 64 GLN A HB2 13 ATOM 19258 H HB3 . GLN A 1 64 ? 2.437 12.425 3.247 1.00 0.00 ? 64 GLN A HB3 13 ATOM 19259 H HG2 . GLN A 1 64 ? 1.061 10.704 2.685 1.00 0.00 ? 64 GLN A HG2 13 ATOM 19260 H HG3 . GLN A 1 64 ? 0.812 10.210 4.358 1.00 0.00 ? 64 GLN A HG3 13 ATOM 19261 H HE21 . GLN A 1 64 ? -0.275 12.098 5.667 1.00 0.00 ? 64 GLN A HE21 13 ATOM 19262 H HE22 . GLN A 1 64 ? -1.699 12.739 4.929 1.00 0.00 ? 64 GLN A HE22 13 ATOM 19263 N N . ARG A 1 65 ? 4.736 10.470 3.074 1.00 0.00 ? 65 ARG A N 13 ATOM 19264 C CA . ARG A 1 65 ? 5.348 9.553 2.120 1.00 0.00 ? 65 ARG A CA 13 ATOM 19265 C C . ARG A 1 65 ? 6.050 8.407 2.841 1.00 0.00 ? 65 ARG A C 13 ATOM 19266 O O . ARG A 1 65 ? 5.943 7.248 2.438 1.00 0.00 ? 65 ARG A O 13 ATOM 19267 C CB . ARG A 1 65 ? 6.347 10.300 1.233 1.00 0.00 ? 65 ARG A CB 13 ATOM 19268 C CG . ARG A 1 65 ? 6.806 9.499 0.025 1.00 0.00 ? 65 ARG A CG 13 ATOM 19269 C CD . ARG A 1 65 ? 7.356 10.403 -1.066 1.00 0.00 ? 65 ARG A CD 13 ATOM 19270 N NE . ARG A 1 65 ? 8.306 9.705 -1.928 1.00 0.00 ? 65 ARG A NE 13 ATOM 19271 C CZ . ARG A 1 65 ? 9.592 9.551 -1.633 1.00 0.00 ? 65 ARG A CZ 13 ATOM 19272 N NH1 . ARG A 1 65 ? 10.079 10.044 -0.502 1.00 0.00 ? 65 ARG A NH1 13 ATOM 19273 N NH2 . ARG A 1 65 ? 10.393 8.903 -2.468 1.00 0.00 ? 65 ARG A NH2 13 ATOM 19274 H H . ARG A 1 65 ? 5.080 11.384 3.147 1.00 0.00 ? 65 ARG A H 13 ATOM 19275 H HA . ARG A 1 65 ? 4.564 9.147 1.500 1.00 0.00 ? 65 ARG A HA 13 ATOM 19276 H HB2 . ARG A 1 65 ? 5.886 11.210 0.879 1.00 0.00 ? 65 ARG A HB2 13 ATOM 19277 H HB3 . ARG A 1 65 ? 7.216 10.551 1.822 1.00 0.00 ? 65 ARG A HB3 13 ATOM 19278 H HG2 . ARG A 1 65 ? 7.581 8.812 0.333 1.00 0.00 ? 65 ARG A HG2 13 ATOM 19279 H HG3 . ARG A 1 65 ? 5.966 8.944 -0.367 1.00 0.00 ? 65 ARG A HG3 13 ATOM 19280 H HD2 . ARG A 1 65 ? 6.534 10.760 -1.668 1.00 0.00 ? 65 ARG A HD2 13 ATOM 19281 H HD3 . ARG A 1 65 ? 7.854 11.242 -0.603 1.00 0.00 ? 65 ARG A HD3 13 ATOM 19282 H HE . ARG A 1 65 ? 7.967 9.332 -2.769 1.00 0.00 ? 65 ARG A HE 13 ATOM 19283 H HH11 . ARG A 1 65 ? 9.477 10.531 0.130 1.00 0.00 ? 65 ARG A HH11 13 ATOM 19284 H HH12 . ARG A 1 65 ? 11.047 9.926 -0.281 1.00 0.00 ? 65 ARG A HH12 13 ATOM 19285 H HH21 . ARG A 1 65 ? 10.029 8.530 -3.321 1.00 0.00 ? 65 ARG A HH21 13 ATOM 19286 H HH22 . ARG A 1 65 ? 11.360 8.788 -2.245 1.00 0.00 ? 65 ARG A HH22 13 ATOM 19287 N N . ASP A 1 66 ? 6.768 8.737 3.909 1.00 0.00 ? 66 ASP A N 13 ATOM 19288 C CA . ASP A 1 66 ? 7.488 7.735 4.687 1.00 0.00 ? 66 ASP A CA 13 ATOM 19289 C C . ASP A 1 66 ? 6.642 6.479 4.869 1.00 0.00 ? 66 ASP A C 13 ATOM 19290 O O . ASP A 1 66 ? 7.014 5.397 4.414 1.00 0.00 ? 66 ASP A O 13 ATOM 19291 C CB . ASP A 1 66 ? 7.879 8.303 6.052 1.00 0.00 ? 66 ASP A CB 13 ATOM 19292 C CG . ASP A 1 66 ? 8.520 7.263 6.950 1.00 0.00 ? 66 ASP A CG 13 ATOM 19293 O OD1 . ASP A 1 66 ? 9.680 6.884 6.684 1.00 0.00 ? 66 ASP A OD1 13 ATOM 19294 O OD2 . ASP A 1 66 ? 7.861 6.827 7.917 1.00 0.00 ? 66 ASP A OD2 13 ATOM 19295 H H . ASP A 1 66 ? 6.815 9.678 4.181 1.00 0.00 ? 66 ASP A H 13 ATOM 19296 H HA . ASP A 1 66 ? 8.384 7.475 4.145 1.00 0.00 ? 66 ASP A HA 13 ATOM 19297 H HB2 . ASP A 1 66 ? 8.583 9.111 5.910 1.00 0.00 ? 66 ASP A HB2 13 ATOM 19298 H HB3 . ASP A 1 66 ? 6.996 8.683 6.544 1.00 0.00 ? 66 ASP A HB3 13 ATOM 19299 N N . SER A 1 67 ? 5.503 6.629 5.537 1.00 0.00 ? 67 SER A N 13 ATOM 19300 C CA . SER A 1 67 ? 4.607 5.506 5.784 1.00 0.00 ? 67 SER A CA 13 ATOM 19301 C C . SER A 1 67 ? 4.192 4.845 4.473 1.00 0.00 ? 67 SER A C 13 ATOM 19302 O O . SER A 1 67 ? 4.453 3.662 4.251 1.00 0.00 ? 67 SER A O 13 ATOM 19303 C CB . SER A 1 67 ? 3.367 5.973 6.548 1.00 0.00 ? 67 SER A CB 13 ATOM 19304 O OG . SER A 1 67 ? 3.727 6.743 7.682 1.00 0.00 ? 67 SER A OG 13 ATOM 19305 H H . SER A 1 67 ? 5.262 7.517 5.875 1.00 0.00 ? 67 SER A H 13 ATOM 19306 H HA . SER A 1 67 ? 5.139 4.783 6.385 1.00 0.00 ? 67 SER A HA 13 ATOM 19307 H HB2 . SER A 1 67 ? 2.753 6.577 5.898 1.00 0.00 ? 67 SER A HB2 13 ATOM 19308 H HB3 . SER A 1 67 ? 2.805 5.111 6.877 1.00 0.00 ? 67 SER A HB3 13 ATOM 19309 H HG . SER A 1 67 ? 3.499 6.263 8.481 1.00 0.00 ? 67 SER A HG 13 ATOM 19310 N N . HIS A 1 68 ? 3.543 5.617 3.608 1.00 0.00 ? 68 HIS A N 13 ATOM 19311 C CA . HIS A 1 68 ? 3.091 5.108 2.318 1.00 0.00 ? 68 HIS A CA 13 ATOM 19312 C C . HIS A 1 68 ? 4.097 4.116 1.742 1.00 0.00 ? 68 HIS A C 13 ATOM 19313 O O . HIS A 1 68 ? 3.728 3.197 1.011 1.00 0.00 ? 68 HIS A O 13 ATOM 19314 C CB . HIS A 1 68 ? 2.876 6.261 1.337 1.00 0.00 ? 68 HIS A CB 13 ATOM 19315 C CG . HIS A 1 68 ? 1.536 6.917 1.468 1.00 0.00 ? 68 HIS A CG 13 ATOM 19316 N ND1 . HIS A 1 68 ? 0.349 6.258 1.228 1.00 0.00 ? 68 HIS A ND1 13 ATOM 19317 C CD2 . HIS A 1 68 ? 1.199 8.181 1.818 1.00 0.00 ? 68 HIS A CD2 13 ATOM 19318 C CE1 . HIS A 1 68 ? -0.660 7.089 1.423 1.00 0.00 ? 68 HIS A CE1 13 ATOM 19319 N NE2 . HIS A 1 68 ? -0.171 8.262 1.783 1.00 0.00 ? 68 HIS A NE2 13 ATOM 19320 H H . HIS A 1 68 ? 3.364 6.552 3.842 1.00 0.00 ? 68 HIS A H 13 ATOM 19321 H HA . HIS A 1 68 ? 2.151 4.599 2.473 1.00 0.00 ? 68 HIS A HA 13 ATOM 19322 H HB2 . HIS A 1 68 ? 3.631 7.014 1.507 1.00 0.00 ? 68 HIS A HB2 13 ATOM 19323 H HB3 . HIS A 1 68 ? 2.966 5.888 0.327 1.00 0.00 ? 68 HIS A HB3 13 ATOM 19324 H HD1 . HIS A 1 68 ? 0.259 5.322 0.954 1.00 0.00 ? 68 HIS A HD1 13 ATOM 19325 H HD2 . HIS A 1 68 ? 1.881 8.978 2.078 1.00 0.00 ? 68 HIS A HD2 13 ATOM 19326 H HE1 . HIS A 1 68 ? -1.707 6.849 1.309 1.00 0.00 ? 68 HIS A HE1 13 ATOM 19327 H HE2 . HIS A 1 68 ? -0.698 9.079 1.905 1.00 0.00 ? 68 HIS A HE2 13 ATOM 19328 N N . MET A 1 69 ? 5.368 4.309 2.077 1.00 0.00 ? 69 MET A N 13 ATOM 19329 C CA . MET A 1 69 ? 6.427 3.430 1.594 1.00 0.00 ? 69 MET A CA 13 ATOM 19330 C C . MET A 1 69 ? 6.723 2.327 2.605 1.00 0.00 ? 69 MET A C 13 ATOM 19331 O O . MET A 1 69 ? 6.935 1.172 2.236 1.00 0.00 ? 69 MET A O 13 ATOM 19332 C CB . MET A 1 69 ? 7.698 4.235 1.313 1.00 0.00 ? 69 MET A CB 13 ATOM 19333 C CG . MET A 1 69 ? 7.748 4.821 -0.089 1.00 0.00 ? 69 MET A CG 13 ATOM 19334 S SD . MET A 1 69 ? 7.680 3.557 -1.373 1.00 0.00 ? 69 MET A SD 13 ATOM 19335 C CE . MET A 1 69 ? 9.034 2.495 -0.876 1.00 0.00 ? 69 MET A CE 13 ATOM 19336 H H . MET A 1 69 ? 5.601 5.059 2.664 1.00 0.00 ? 69 MET A H 13 ATOM 19337 H HA . MET A 1 69 ? 6.088 2.978 0.674 1.00 0.00 ? 69 MET A HA 13 ATOM 19338 H HB2 . MET A 1 69 ? 7.760 5.047 2.022 1.00 0.00 ? 69 MET A HB2 13 ATOM 19339 H HB3 . MET A 1 69 ? 8.554 3.589 1.440 1.00 0.00 ? 69 MET A HB3 13 ATOM 19340 H HG2 . MET A 1 69 ? 6.909 5.489 -0.216 1.00 0.00 ? 69 MET A HG2 13 ATOM 19341 H HG3 . MET A 1 69 ? 8.668 5.377 -0.198 1.00 0.00 ? 69 MET A HG3 13 ATOM 19342 H HE1 . MET A 1 69 ? 9.947 3.070 -0.838 1.00 0.00 ? 69 MET A HE1 13 ATOM 19343 H HE2 . MET A 1 69 ? 8.827 2.083 0.100 1.00 0.00 ? 69 MET A HE2 13 ATOM 19344 H HE3 . MET A 1 69 ? 9.143 1.693 -1.591 1.00 0.00 ? 69 MET A HE3 13 ATOM 19345 N N . LYS A 1 70 ? 6.736 2.691 3.883 1.00 0.00 ? 70 LYS A N 13 ATOM 19346 C CA . LYS A 1 70 ? 7.004 1.733 4.949 1.00 0.00 ? 70 LYS A CA 13 ATOM 19347 C C . LYS A 1 70 ? 6.085 0.521 4.835 1.00 0.00 ? 70 LYS A C 13 ATOM 19348 O O . LYS A 1 70 ? 6.496 -0.608 5.103 1.00 0.00 ? 70 LYS A O 13 ATOM 19349 C CB . LYS A 1 70 ? 6.825 2.396 6.316 1.00 0.00 ? 70 LYS A CB 13 ATOM 19350 C CG . LYS A 1 70 ? 5.420 2.262 6.878 1.00 0.00 ? 70 LYS A CG 13 ATOM 19351 C CD . LYS A 1 70 ? 5.337 2.781 8.303 1.00 0.00 ? 70 LYS A CD 13 ATOM 19352 C CE . LYS A 1 70 ? 4.028 2.381 8.967 1.00 0.00 ? 70 LYS A CE 13 ATOM 19353 N NZ . LYS A 1 70 ? 3.902 2.956 10.335 1.00 0.00 ? 70 LYS A NZ 13 ATOM 19354 H H . LYS A 1 70 ? 6.559 3.627 4.115 1.00 0.00 ? 70 LYS A H 13 ATOM 19355 H HA . LYS A 1 70 ? 8.028 1.404 4.849 1.00 0.00 ? 70 LYS A HA 13 ATOM 19356 H HB2 . LYS A 1 70 ? 7.514 1.945 7.015 1.00 0.00 ? 70 LYS A HB2 13 ATOM 19357 H HB3 . LYS A 1 70 ? 7.055 3.448 6.226 1.00 0.00 ? 70 LYS A HB3 13 ATOM 19358 H HG2 . LYS A 1 70 ? 4.739 2.828 6.260 1.00 0.00 ? 70 LYS A HG2 13 ATOM 19359 H HG3 . LYS A 1 70 ? 5.136 1.219 6.867 1.00 0.00 ? 70 LYS A HG3 13 ATOM 19360 H HD2 . LYS A 1 70 ? 6.157 2.372 8.875 1.00 0.00 ? 70 LYS A HD2 13 ATOM 19361 H HD3 . LYS A 1 70 ? 5.409 3.859 8.289 1.00 0.00 ? 70 LYS A HD3 13 ATOM 19362 H HE2 . LYS A 1 70 ? 3.209 2.736 8.360 1.00 0.00 ? 70 LYS A HE2 13 ATOM 19363 H HE3 . LYS A 1 70 ? 3.987 1.304 9.033 1.00 0.00 ? 70 LYS A HE3 13 ATOM 19364 H HZ1 . LYS A 1 70 ? 4.842 3.054 10.769 1.00 0.00 ? 70 LYS A HZ1 13 ATOM 19365 H HZ2 . LYS A 1 70 ? 3.321 2.333 10.932 1.00 0.00 ? 70 LYS A HZ2 13 ATOM 19366 H HZ3 . LYS A 1 70 ? 3.453 3.893 10.289 1.00 0.00 ? 70 LYS A HZ3 13 ATOM 19367 N N . GLN A 1 71 ? 4.841 0.763 4.435 1.00 0.00 ? 71 GLN A N 13 ATOM 19368 C CA . GLN A 1 71 ? 3.865 -0.310 4.286 1.00 0.00 ? 71 GLN A CA 13 ATOM 19369 C C . GLN A 1 71 ? 4.165 -1.151 3.050 1.00 0.00 ? 71 GLN A C 13 ATOM 19370 O O . GLN A 1 71 ? 4.018 -2.374 3.067 1.00 0.00 ? 71 GLN A O 13 ATOM 19371 C CB . GLN A 1 71 ? 2.451 0.267 4.193 1.00 0.00 ? 71 GLN A CB 13 ATOM 19372 C CG . GLN A 1 71 ? 1.765 0.417 5.541 1.00 0.00 ? 71 GLN A CG 13 ATOM 19373 C CD . GLN A 1 71 ? 1.817 -0.854 6.367 1.00 0.00 ? 71 GLN A CD 13 ATOM 19374 O OE1 . GLN A 1 71 ? 1.285 -1.890 5.966 1.00 0.00 ? 71 GLN A OE1 13 ATOM 19375 N NE2 . GLN A 1 71 ? 2.460 -0.782 7.526 1.00 0.00 ? 71 GLN A NE2 13 ATOM 19376 H H . GLN A 1 71 ? 4.573 1.684 4.237 1.00 0.00 ? 71 GLN A H 13 ATOM 19377 H HA . GLN A 1 71 ? 3.929 -0.941 5.159 1.00 0.00 ? 71 GLN A HA 13 ATOM 19378 H HB2 . GLN A 1 71 ? 2.503 1.241 3.729 1.00 0.00 ? 71 GLN A HB2 13 ATOM 19379 H HB3 . GLN A 1 71 ? 1.849 -0.384 3.578 1.00 0.00 ? 71 GLN A HB3 13 ATOM 19380 H HG2 . GLN A 1 71 ? 2.254 1.206 6.094 1.00 0.00 ? 71 GLN A HG2 13 ATOM 19381 H HG3 . GLN A 1 71 ? 0.731 0.681 5.377 1.00 0.00 ? 71 GLN A HG3 13 ATOM 19382 H HE21 . GLN A 1 71 ? 2.859 0.077 7.781 1.00 0.00 ? 71 GLN A HE21 13 ATOM 19383 H HE22 . GLN A 1 71 ? 2.508 -1.588 8.079 1.00 0.00 ? 71 GLN A HE22 13 ATOM 19384 N N . LEU A 1 72 ? 4.587 -0.489 1.978 1.00 0.00 ? 72 LEU A N 13 ATOM 19385 C CA . LEU A 1 72 ? 4.908 -1.176 0.732 1.00 0.00 ? 72 LEU A CA 13 ATOM 19386 C C . LEU A 1 72 ? 5.946 -2.269 0.964 1.00 0.00 ? 72 LEU A C 13 ATOM 19387 O O . LEU A 1 72 ? 5.756 -3.417 0.561 1.00 0.00 ? 72 LEU A O 13 ATOM 19388 C CB . LEU A 1 72 ? 5.426 -0.177 -0.305 1.00 0.00 ? 72 LEU A CB 13 ATOM 19389 C CG . LEU A 1 72 ? 6.105 -0.779 -1.536 1.00 0.00 ? 72 LEU A CG 13 ATOM 19390 C CD1 . LEU A 1 72 ? 5.269 -1.914 -2.106 1.00 0.00 ? 72 LEU A CD1 13 ATOM 19391 C CD2 . LEU A 1 72 ? 6.344 0.292 -2.590 1.00 0.00 ? 72 LEU A CD2 13 ATOM 19392 H H . LEU A 1 72 ? 4.684 0.485 2.025 1.00 0.00 ? 72 LEU A H 13 ATOM 19393 H HA . LEU A 1 72 ? 4.001 -1.630 0.361 1.00 0.00 ? 72 LEU A HA 13 ATOM 19394 H HB2 . LEU A 1 72 ? 4.587 0.410 -0.645 1.00 0.00 ? 72 LEU A HB2 13 ATOM 19395 H HB3 . LEU A 1 72 ? 6.140 0.468 0.186 1.00 0.00 ? 72 LEU A HB3 13 ATOM 19396 H HG . LEU A 1 72 ? 7.065 -1.185 -1.246 1.00 0.00 ? 72 LEU A HG 13 ATOM 19397 H HD11 . LEU A 1 72 ? 5.872 -2.501 -2.782 1.00 0.00 ? 72 LEU A HD11 13 ATOM 19398 H HD12 . LEU A 1 72 ? 4.424 -1.505 -2.640 1.00 0.00 ? 72 LEU A HD12 13 ATOM 19399 H HD13 . LEU A 1 72 ? 4.916 -2.541 -1.300 1.00 0.00 ? 72 LEU A HD13 13 ATOM 19400 H HD21 . LEU A 1 72 ? 5.474 0.371 -3.225 1.00 0.00 ? 72 LEU A HD21 13 ATOM 19401 H HD22 . LEU A 1 72 ? 7.203 0.023 -3.188 1.00 0.00 ? 72 LEU A HD22 13 ATOM 19402 H HD23 . LEU A 1 72 ? 6.525 1.240 -2.106 1.00 0.00 ? 72 LEU A HD23 13 ATOM 19403 N N . LEU A 1 73 ? 7.043 -1.906 1.619 1.00 0.00 ? 73 LEU A N 13 ATOM 19404 C CA . LEU A 1 73 ? 8.112 -2.856 1.908 1.00 0.00 ? 73 LEU A CA 13 ATOM 19405 C C . LEU A 1 73 ? 7.617 -3.968 2.827 1.00 0.00 ? 73 LEU A C 13 ATOM 19406 O O . LEU A 1 73 ? 8.094 -5.102 2.759 1.00 0.00 ? 73 LEU A O 13 ATOM 19407 C CB . LEU A 1 73 ? 9.300 -2.138 2.552 1.00 0.00 ? 73 LEU A CB 13 ATOM 19408 C CG . LEU A 1 73 ? 9.640 -0.761 1.981 1.00 0.00 ? 73 LEU A CG 13 ATOM 19409 C CD1 . LEU A 1 73 ? 10.852 -0.175 2.689 1.00 0.00 ? 73 LEU A CD1 13 ATOM 19410 C CD2 . LEU A 1 73 ? 9.888 -0.850 0.482 1.00 0.00 ? 73 LEU A CD2 13 ATOM 19411 H H . LEU A 1 73 ? 7.138 -0.977 1.915 1.00 0.00 ? 73 LEU A H 13 ATOM 19412 H HA . LEU A 1 73 ? 8.429 -3.292 0.973 1.00 0.00 ? 73 LEU A HA 13 ATOM 19413 H HB2 . LEU A 1 73 ? 9.083 -2.016 3.602 1.00 0.00 ? 73 LEU A HB2 13 ATOM 19414 H HB3 . LEU A 1 73 ? 10.169 -2.770 2.436 1.00 0.00 ? 73 LEU A HB3 13 ATOM 19415 H HG . LEU A 1 73 ? 8.804 -0.094 2.144 1.00 0.00 ? 73 LEU A HG 13 ATOM 19416 H HD11 . LEU A 1 73 ? 10.838 0.901 2.596 1.00 0.00 ? 73 LEU A HD11 13 ATOM 19417 H HD12 . LEU A 1 73 ? 11.754 -0.564 2.241 1.00 0.00 ? 73 LEU A HD12 13 ATOM 19418 H HD13 . LEU A 1 73 ? 10.824 -0.446 3.734 1.00 0.00 ? 73 LEU A HD13 13 ATOM 19419 H HD21 . LEU A 1 73 ? 9.106 -1.438 0.024 1.00 0.00 ? 73 LEU A HD21 13 ATOM 19420 H HD22 . LEU A 1 73 ? 10.844 -1.321 0.303 1.00 0.00 ? 73 LEU A HD22 13 ATOM 19421 H HD23 . LEU A 1 73 ? 9.889 0.143 0.058 1.00 0.00 ? 73 LEU A HD23 13 ATOM 19422 N N . LEU A 1 74 ? 6.657 -3.638 3.684 1.00 0.00 ? 74 LEU A N 13 ATOM 19423 C CA . LEU A 1 74 ? 6.096 -4.610 4.616 1.00 0.00 ? 74 LEU A CA 13 ATOM 19424 C C . LEU A 1 74 ? 5.211 -5.615 3.886 1.00 0.00 ? 74 LEU A C 13 ATOM 19425 O O . LEU A 1 74 ? 5.314 -6.822 4.107 1.00 0.00 ? 74 LEU A O 13 ATOM 19426 C CB . LEU A 1 74 ? 5.288 -3.897 5.701 1.00 0.00 ? 74 LEU A CB 13 ATOM 19427 C CG . LEU A 1 74 ? 6.081 -3.397 6.909 1.00 0.00 ? 74 LEU A CG 13 ATOM 19428 C CD1 . LEU A 1 74 ? 5.238 -2.447 7.746 1.00 0.00 ? 74 LEU A CD1 13 ATOM 19429 C CD2 . LEU A 1 74 ? 6.564 -4.568 7.752 1.00 0.00 ? 74 LEU A CD2 13 ATOM 19430 H H . LEU A 1 74 ? 6.318 -2.719 3.691 1.00 0.00 ? 74 LEU A H 13 ATOM 19431 H HA . LEU A 1 74 ? 6.916 -5.138 5.077 1.00 0.00 ? 74 LEU A HA 13 ATOM 19432 H HB2 . LEU A 1 74 ? 4.804 -3.045 5.248 1.00 0.00 ? 74 LEU A HB2 13 ATOM 19433 H HB3 . LEU A 1 74 ? 4.537 -4.586 6.060 1.00 0.00 ? 74 LEU A HB3 13 ATOM 19434 H HG . LEU A 1 74 ? 6.949 -2.853 6.562 1.00 0.00 ? 74 LEU A HG 13 ATOM 19435 H HD11 . LEU A 1 74 ? 5.653 -2.379 8.740 1.00 0.00 ? 74 LEU A HD11 13 ATOM 19436 H HD12 . LEU A 1 74 ? 4.226 -2.820 7.803 1.00 0.00 ? 74 LEU A HD12 13 ATOM 19437 H HD13 . LEU A 1 74 ? 5.236 -1.469 7.288 1.00 0.00 ? 74 LEU A HD13 13 ATOM 19438 H HD21 . LEU A 1 74 ? 5.717 -5.050 8.216 1.00 0.00 ? 74 LEU A HD21 13 ATOM 19439 H HD22 . LEU A 1 74 ? 7.237 -4.208 8.517 1.00 0.00 ? 74 LEU A HD22 13 ATOM 19440 H HD23 . LEU A 1 74 ? 7.081 -5.276 7.122 1.00 0.00 ? 74 LEU A HD23 13 ATOM 19441 N N . ILE A 1 75 ? 4.345 -5.110 3.014 1.00 0.00 ? 75 ILE A N 13 ATOM 19442 C CA . ILE A 1 75 ? 3.445 -5.965 2.249 1.00 0.00 ? 75 ILE A CA 13 ATOM 19443 C C . ILE A 1 75 ? 4.217 -6.825 1.254 1.00 0.00 ? 75 ILE A C 13 ATOM 19444 O O . ILE A 1 75 ? 3.955 -8.019 1.118 1.00 0.00 ? 75 ILE A O 13 ATOM 19445 C CB . ILE A 1 75 ? 2.394 -5.137 1.487 1.00 0.00 ? 75 ILE A CB 13 ATOM 19446 C CG1 . ILE A 1 75 ? 1.557 -4.310 2.465 1.00 0.00 ? 75 ILE A CG1 13 ATOM 19447 C CG2 . ILE A 1 75 ? 1.503 -6.047 0.656 1.00 0.00 ? 75 ILE A CG2 13 ATOM 19448 C CD1 . ILE A 1 75 ? 0.555 -3.402 1.786 1.00 0.00 ? 75 ILE A CD1 13 ATOM 19449 H H . ILE A 1 75 ? 4.311 -4.140 2.881 1.00 0.00 ? 75 ILE A H 13 ATOM 19450 H HA . ILE A 1 75 ? 2.930 -6.612 2.944 1.00 0.00 ? 75 ILE A HA 13 ATOM 19451 H HB . ILE A 1 75 ? 2.912 -4.470 0.815 1.00 0.00 ? 75 ILE A HB 13 ATOM 19452 H HG12 . ILE A 1 75 ? 1.012 -4.976 3.115 1.00 0.00 ? 75 ILE A HG12 13 ATOM 19453 H HG13 . ILE A 1 75 ? 2.216 -3.693 3.059 1.00 0.00 ? 75 ILE A HG13 13 ATOM 19454 H HG21 . ILE A 1 75 ? 0.469 -5.770 0.802 1.00 0.00 ? 75 ILE A HG21 13 ATOM 19455 H HG22 . ILE A 1 75 ? 1.758 -5.946 -0.388 1.00 0.00 ? 75 ILE A HG22 13 ATOM 19456 H HG23 . ILE A 1 75 ? 1.647 -7.072 0.965 1.00 0.00 ? 75 ILE A HG23 13 ATOM 19457 H HD11 . ILE A 1 75 ? -0.445 -3.766 1.972 1.00 0.00 ? 75 ILE A HD11 13 ATOM 19458 H HD12 . ILE A 1 75 ? 0.654 -2.401 2.177 1.00 0.00 ? 75 ILE A HD12 13 ATOM 19459 H HD13 . ILE A 1 75 ? 0.742 -3.393 0.722 1.00 0.00 ? 75 ILE A HD13 13 ATOM 19460 N N . GLN A 1 76 ? 5.171 -6.209 0.564 1.00 0.00 ? 76 GLN A N 13 ATOM 19461 C CA . GLN A 1 76 ? 5.983 -6.919 -0.418 1.00 0.00 ? 76 GLN A CA 13 ATOM 19462 C C . GLN A 1 76 ? 6.688 -8.112 0.219 1.00 0.00 ? 76 GLN A C 13 ATOM 19463 O O . GLN A 1 76 ? 6.499 -9.253 -0.201 1.00 0.00 ? 76 GLN A O 13 ATOM 19464 C CB . GLN A 1 76 ? 7.013 -5.974 -1.039 1.00 0.00 ? 76 GLN A CB 13 ATOM 19465 C CG . GLN A 1 76 ? 6.477 -5.182 -2.221 1.00 0.00 ? 76 GLN A CG 13 ATOM 19466 C CD . GLN A 1 76 ? 7.577 -4.703 -3.148 1.00 0.00 ? 76 GLN A CD 13 ATOM 19467 O OE1 . GLN A 1 76 ? 7.950 -5.394 -4.096 1.00 0.00 ? 76 GLN A OE1 13 ATOM 19468 N NE2 . GLN A 1 76 ? 8.102 -3.513 -2.879 1.00 0.00 ? 76 GLN A NE2 13 ATOM 19469 H H . GLN A 1 76 ? 5.333 -5.255 0.717 1.00 0.00 ? 76 GLN A H 13 ATOM 19470 H HA . GLN A 1 76 ? 5.324 -7.279 -1.194 1.00 0.00 ? 76 GLN A HA 13 ATOM 19471 H HB2 . GLN A 1 76 ? 7.344 -5.276 -0.285 1.00 0.00 ? 76 GLN A HB2 13 ATOM 19472 H HB3 . GLN A 1 76 ? 7.859 -6.555 -1.376 1.00 0.00 ? 76 GLN A HB3 13 ATOM 19473 H HG2 . GLN A 1 76 ? 5.802 -5.810 -2.783 1.00 0.00 ? 76 GLN A HG2 13 ATOM 19474 H HG3 . GLN A 1 76 ? 5.941 -4.323 -1.847 1.00 0.00 ? 76 GLN A HG3 13 ATOM 19475 H HE21 . GLN A 1 76 ? 7.755 -3.019 -2.106 1.00 0.00 ? 76 GLN A HE21 13 ATOM 19476 H HE22 . GLN A 1 76 ? 8.814 -3.179 -3.462 1.00 0.00 ? 76 GLN A HE22 13 ATOM 19477 N N . GLU A 1 77 ? 7.501 -7.839 1.235 1.00 0.00 ? 77 GLU A N 13 ATOM 19478 C CA . GLU A 1 77 ? 8.235 -8.891 1.929 1.00 0.00 ? 77 GLU A CA 13 ATOM 19479 C C . GLU A 1 77 ? 7.286 -9.972 2.438 1.00 0.00 ? 77 GLU A C 13 ATOM 19480 O O . GLU A 1 77 ? 7.623 -11.156 2.442 1.00 0.00 ? 77 GLU A O 13 ATOM 19481 C CB . GLU A 1 77 ? 9.030 -8.303 3.097 1.00 0.00 ? 77 GLU A CB 13 ATOM 19482 C CG . GLU A 1 77 ? 8.217 -8.152 4.372 1.00 0.00 ? 77 GLU A CG 13 ATOM 19483 C CD . GLU A 1 77 ? 8.285 -9.382 5.256 1.00 0.00 ? 77 GLU A CD 13 ATOM 19484 O OE1 . GLU A 1 77 ? 8.948 -10.362 4.858 1.00 0.00 ? 77 GLU A OE1 13 ATOM 19485 O OE2 . GLU A 1 77 ? 7.677 -9.364 6.346 1.00 0.00 ? 77 GLU A OE2 13 ATOM 19486 H H . GLU A 1 77 ? 7.610 -6.909 1.524 1.00 0.00 ? 77 GLU A H 13 ATOM 19487 H HA . GLU A 1 77 ? 8.923 -9.334 1.225 1.00 0.00 ? 77 GLU A HA 13 ATOM 19488 H HB2 . GLU A 1 77 ? 9.871 -8.947 3.305 1.00 0.00 ? 77 GLU A HB2 13 ATOM 19489 H HB3 . GLU A 1 77 ? 9.397 -7.328 2.812 1.00 0.00 ? 77 GLU A HB3 13 ATOM 19490 H HG2 . GLU A 1 77 ? 8.594 -7.307 4.927 1.00 0.00 ? 77 GLU A HG2 13 ATOM 19491 H HG3 . GLU A 1 77 ? 7.185 -7.975 4.106 1.00 0.00 ? 77 GLU A HG3 13 ATOM 19492 N N . ARG A 1 78 ? 6.100 -9.555 2.867 1.00 0.00 ? 78 ARG A N 13 ATOM 19493 C CA . ARG A 1 78 ? 5.102 -10.487 3.380 1.00 0.00 ? 78 ARG A CA 13 ATOM 19494 C C . ARG A 1 78 ? 4.551 -11.364 2.259 1.00 0.00 ? 78 ARG A C 13 ATOM 19495 O O . ARG A 1 78 ? 3.910 -12.384 2.515 1.00 0.00 ? 78 ARG A O 13 ATOM 19496 C CB . ARG A 1 78 ? 3.960 -9.724 4.053 1.00 0.00 ? 78 ARG A CB 13 ATOM 19497 C CG . ARG A 1 78 ? 4.326 -9.156 5.415 1.00 0.00 ? 78 ARG A CG 13 ATOM 19498 C CD . ARG A 1 78 ? 4.445 -10.252 6.462 1.00 0.00 ? 78 ARG A CD 13 ATOM 19499 N NE . ARG A 1 78 ? 3.149 -10.606 7.034 1.00 0.00 ? 78 ARG A NE 13 ATOM 19500 C CZ . ARG A 1 78 ? 2.990 -11.515 7.989 1.00 0.00 ? 78 ARG A CZ 13 ATOM 19501 N NH1 . ARG A 1 78 ? 4.041 -12.160 8.477 1.00 0.00 ? 78 ARG A NH1 13 ATOM 19502 N NH2 . ARG A 1 78 ? 1.778 -11.782 8.458 1.00 0.00 ? 78 ARG A NH2 13 ATOM 19503 H H . ARG A 1 78 ? 5.890 -8.598 2.838 1.00 0.00 ? 78 ARG A H 13 ATOM 19504 H HA . ARG A 1 78 ? 5.583 -11.118 4.112 1.00 0.00 ? 78 ARG A HA 13 ATOM 19505 H HB2 . ARG A 1 78 ? 3.663 -8.906 3.415 1.00 0.00 ? 78 ARG A HB2 13 ATOM 19506 H HB3 . ARG A 1 78 ? 3.122 -10.393 4.180 1.00 0.00 ? 78 ARG A HB3 13 ATOM 19507 H HG2 . ARG A 1 78 ? 5.274 -8.644 5.337 1.00 0.00 ? 78 ARG A HG2 13 ATOM 19508 H HG3 . ARG A 1 78 ? 3.561 -8.459 5.721 1.00 0.00 ? 78 ARG A HG3 13 ATOM 19509 H HD2 . ARG A 1 78 ? 4.875 -11.129 6.000 1.00 0.00 ? 78 ARG A HD2 13 ATOM 19510 H HD3 . ARG A 1 78 ? 5.095 -9.907 7.252 1.00 0.00 ? 78 ARG A HD3 13 ATOM 19511 H HE . ARG A 1 78 ? 2.358 -10.142 6.688 1.00 0.00 ? 78 ARG A HE 13 ATOM 19512 H HH11 . ARG A 1 78 ? 4.956 -11.960 8.126 1.00 0.00 ? 78 ARG A HH11 13 ATOM 19513 H HH12 . ARG A 1 78 ? 3.919 -12.843 9.197 1.00 0.00 ? 78 ARG A HH12 13 ATOM 19514 H HH21 . ARG A 1 78 ? 0.983 -11.298 8.093 1.00 0.00 ? 78 ARG A HH21 13 ATOM 19515 H HH22 . ARG A 1 78 ? 1.659 -12.466 9.177 1.00 0.00 ? 78 ARG A HH22 13 ATOM 19516 N N . TRP A 1 79 ? 4.805 -10.960 1.020 1.00 0.00 ? 79 TRP A N 13 ATOM 19517 C CA . TRP A 1 79 ? 4.334 -11.710 -0.139 1.00 0.00 ? 79 TRP A CA 13 ATOM 19518 C C . TRP A 1 79 ? 5.325 -12.803 -0.521 1.00 0.00 ? 79 TRP A C 13 ATOM 19519 O O . TRP A 1 79 ? 5.003 -13.991 -0.477 1.00 0.00 ? 79 TRP A O 13 ATOM 19520 C CB . TRP A 1 79 ? 4.112 -10.769 -1.325 1.00 0.00 ? 79 TRP A CB 13 ATOM 19521 C CG . TRP A 1 79 ? 3.271 -11.370 -2.410 1.00 0.00 ? 79 TRP A CG 13 ATOM 19522 C CD1 . TRP A 1 79 ? 2.420 -12.432 -2.295 1.00 0.00 ? 79 TRP A CD1 13 ATOM 19523 C CD2 . TRP A 1 79 ? 3.202 -10.944 -3.776 1.00 0.00 ? 79 TRP A CD2 13 ATOM 19524 N NE1 . TRP A 1 79 ? 1.826 -12.692 -3.507 1.00 0.00 ? 79 TRP A NE1 13 ATOM 19525 C CE2 . TRP A 1 79 ? 2.288 -11.793 -4.431 1.00 0.00 ? 79 TRP A CE2 13 ATOM 19526 C CE3 . TRP A 1 79 ? 3.821 -9.928 -4.508 1.00 0.00 ? 79 TRP A CE3 13 ATOM 19527 C CZ2 . TRP A 1 79 ? 1.982 -11.655 -5.782 1.00 0.00 ? 79 TRP A CZ2 13 ATOM 19528 C CZ3 . TRP A 1 79 ? 3.517 -9.792 -5.849 1.00 0.00 ? 79 TRP A CZ3 13 ATOM 19529 C CH2 . TRP A 1 79 ? 2.604 -10.651 -6.475 1.00 0.00 ? 79 TRP A CH2 13 ATOM 19530 H H . TRP A 1 79 ? 5.321 -10.139 0.880 1.00 0.00 ? 79 TRP A H 13 ATOM 19531 H HA . TRP A 1 79 ? 3.393 -12.170 0.125 1.00 0.00 ? 79 TRP A HA 13 ATOM 19532 H HB2 . TRP A 1 79 ? 3.619 -9.873 -0.978 1.00 0.00 ? 79 TRP A HB2 13 ATOM 19533 H HB3 . TRP A 1 79 ? 5.070 -10.507 -1.751 1.00 0.00 ? 79 TRP A HB3 13 ATOM 19534 H HD1 . TRP A 1 79 ? 2.250 -12.978 -1.380 1.00 0.00 ? 79 TRP A HD1 13 ATOM 19535 H HE1 . TRP A 1 79 ? 1.176 -13.405 -3.680 1.00 0.00 ? 79 TRP A HE1 13 ATOM 19536 H HE3 . TRP A 1 79 ? 4.528 -9.256 -4.043 1.00 0.00 ? 79 TRP A HE3 13 ATOM 19537 H HZ2 . TRP A 1 79 ? 1.280 -12.308 -6.279 1.00 0.00 ? 79 TRP A HZ2 13 ATOM 19538 H HZ3 . TRP A 1 79 ? 3.986 -9.013 -6.431 1.00 0.00 ? 79 TRP A HZ3 13 ATOM 19539 H HH2 . TRP A 1 79 ? 2.396 -10.509 -7.524 1.00 0.00 ? 79 TRP A HH2 13 ATOM 19540 N N . LYS A 1 80 ? 6.534 -12.396 -0.895 1.00 0.00 ? 80 LYS A N 13 ATOM 19541 C CA . LYS A 1 80 ? 7.574 -13.341 -1.283 1.00 0.00 ? 80 LYS A CA 13 ATOM 19542 C C . LYS A 1 80 ? 7.697 -14.466 -0.260 1.00 0.00 ? 80 LYS A C 13 ATOM 19543 O O . LYS A 1 80 ? 8.090 -15.583 -0.595 1.00 0.00 ? 80 LYS A O 13 ATOM 19544 C CB . LYS A 1 80 ? 8.917 -12.621 -1.428 1.00 0.00 ? 80 LYS A CB 13 ATOM 19545 C CG . LYS A 1 80 ? 9.489 -12.129 -0.110 1.00 0.00 ? 80 LYS A CG 13 ATOM 19546 C CD . LYS A 1 80 ? 10.387 -10.919 -0.309 1.00 0.00 ? 80 LYS A CD 13 ATOM 19547 C CE . LYS A 1 80 ? 11.303 -10.702 0.885 1.00 0.00 ? 80 LYS A CE 13 ATOM 19548 N NZ . LYS A 1 80 ? 10.663 -11.130 2.160 1.00 0.00 ? 80 LYS A NZ 13 ATOM 19549 H H . LYS A 1 80 ? 6.731 -11.435 -0.909 1.00 0.00 ? 80 LYS A H 13 ATOM 19550 H HA . LYS A 1 80 ? 7.298 -13.766 -2.236 1.00 0.00 ? 80 LYS A HA 13 ATOM 19551 H HB2 . LYS A 1 80 ? 9.629 -13.299 -1.875 1.00 0.00 ? 80 LYS A HB2 13 ATOM 19552 H HB3 . LYS A 1 80 ? 8.786 -11.769 -2.080 1.00 0.00 ? 80 LYS A HB3 13 ATOM 19553 H HG2 . LYS A 1 80 ? 8.676 -11.855 0.545 1.00 0.00 ? 80 LYS A HG2 13 ATOM 19554 H HG3 . LYS A 1 80 ? 10.066 -12.923 0.341 1.00 0.00 ? 80 LYS A HG3 13 ATOM 19555 H HD2 . LYS A 1 80 ? 10.993 -11.072 -1.190 1.00 0.00 ? 80 LYS A HD2 13 ATOM 19556 H HD3 . LYS A 1 80 ? 9.770 -10.042 -0.443 1.00 0.00 ? 80 LYS A HD3 13 ATOM 19557 H HE2 . LYS A 1 80 ? 12.207 -11.272 0.737 1.00 0.00 ? 80 LYS A HE2 13 ATOM 19558 H HE3 . LYS A 1 80 ? 11.546 -9.652 0.949 1.00 0.00 ? 80 LYS A HE3 13 ATOM 19559 H HZ1 . LYS A 1 80 ? 11.205 -10.769 2.971 1.00 0.00 ? 80 LYS A HZ1 13 ATOM 19560 H HZ2 . LYS A 1 80 ? 10.631 -12.168 2.213 1.00 0.00 ? 80 LYS A HZ2 13 ATOM 19561 H HZ3 . LYS A 1 80 ? 9.692 -10.761 2.214 1.00 0.00 ? 80 LYS A HZ3 13 ATOM 19562 N N . ARG A 1 81 ? 7.356 -14.163 0.989 1.00 0.00 ? 81 ARG A N 13 ATOM 19563 C CA . ARG A 1 81 ? 7.428 -15.149 2.061 1.00 0.00 ? 81 ARG A CA 13 ATOM 19564 C C . ARG A 1 81 ? 6.191 -16.043 2.060 1.00 0.00 ? 81 ARG A C 13 ATOM 19565 O O . ARG A 1 81 ? 6.290 -17.256 2.246 1.00 0.00 ? 81 ARG A O 13 ATOM 19566 C CB . ARG A 1 81 ? 7.566 -14.452 3.415 1.00 0.00 ? 81 ARG A CB 13 ATOM 19567 C CG . ARG A 1 81 ? 9.002 -14.114 3.783 1.00 0.00 ? 81 ARG A CG 13 ATOM 19568 C CD . ARG A 1 81 ? 9.123 -13.713 5.244 1.00 0.00 ? 81 ARG A CD 13 ATOM 19569 N NE . ARG A 1 81 ? 10.508 -13.450 5.627 1.00 0.00 ? 81 ARG A NE 13 ATOM 19570 C CZ . ARG A 1 81 ? 11.359 -14.399 6.001 1.00 0.00 ? 81 ARG A CZ 13 ATOM 19571 N NH1 . ARG A 1 81 ? 10.970 -15.665 6.043 1.00 0.00 ? 81 ARG A NH1 13 ATOM 19572 N NH2 . ARG A 1 81 ? 12.604 -14.081 6.334 1.00 0.00 ? 81 ARG A NH2 13 ATOM 19573 H H . ARG A 1 81 ? 7.050 -13.255 1.195 1.00 0.00 ? 81 ARG A H 13 ATOM 19574 H HA . ARG A 1 81 ? 8.301 -15.762 1.890 1.00 0.00 ? 81 ARG A HA 13 ATOM 19575 H HB2 . ARG A 1 81 ? 6.998 -13.534 3.395 1.00 0.00 ? 81 ARG A HB2 13 ATOM 19576 H HB3 . ARG A 1 81 ? 7.164 -15.098 4.181 1.00 0.00 ? 81 ARG A HB3 13 ATOM 19577 H HG2 . ARG A 1 81 ? 9.622 -14.981 3.606 1.00 0.00 ? 81 ARG A HG2 13 ATOM 19578 H HG3 . ARG A 1 81 ? 9.339 -13.296 3.164 1.00 0.00 ? 81 ARG A HG3 13 ATOM 19579 H HD2 . ARG A 1 81 ? 8.539 -12.819 5.408 1.00 0.00 ? 81 ARG A HD2 13 ATOM 19580 H HD3 . ARG A 1 81 ? 8.736 -14.513 5.857 1.00 0.00 ? 81 ARG A HD3 13 ATOM 19581 H HE . ARG A 1 81 ? 10.817 -12.521 5.603 1.00 0.00 ? 81 ARG A HE 13 ATOM 19582 H HH11 . ARG A 1 81 ? 10.033 -15.908 5.791 1.00 0.00 ? 81 ARG A HH11 13 ATOM 19583 H HH12 . ARG A 1 81 ? 11.613 -16.378 6.324 1.00 0.00 ? 81 ARG A HH12 13 ATOM 19584 H HH21 . ARG A 1 81 ? 12.901 -13.127 6.304 1.00 0.00 ? 81 ARG A HH21 13 ATOM 19585 H HH22 . ARG A 1 81 ? 13.244 -14.795 6.616 1.00 0.00 ? 81 ARG A HH22 13 ATOM 19586 N N . ALA A 1 82 ? 5.028 -15.436 1.852 1.00 0.00 ? 82 ALA A N 13 ATOM 19587 C CA . ALA A 1 82 ? 3.773 -16.176 1.826 1.00 0.00 ? 82 ALA A CA 13 ATOM 19588 C C . ALA A 1 82 ? 3.763 -17.200 0.696 1.00 0.00 ? 82 ALA A C 13 ATOM 19589 O O . ALA A 1 82 ? 3.010 -18.174 0.733 1.00 0.00 ? 82 ALA A O 13 ATOM 19590 C CB . ALA A 1 82 ? 2.598 -15.220 1.684 1.00 0.00 ? 82 ALA A CB 13 ATOM 19591 H H . ALA A 1 82 ? 5.014 -14.466 1.710 1.00 0.00 ? 82 ALA A H 13 ATOM 19592 H HA . ALA A 1 82 ? 3.672 -16.694 2.769 1.00 0.00 ? 82 ALA A HA 13 ATOM 19593 H HB1 . ALA A 1 82 ? 2.760 -14.357 2.314 1.00 0.00 ? 82 ALA A HB1 13 ATOM 19594 H HB2 . ALA A 1 82 ? 2.514 -14.904 0.655 1.00 0.00 ? 82 ALA A HB2 13 ATOM 19595 H HB3 . ALA A 1 82 ? 1.689 -15.719 1.984 1.00 0.00 ? 82 ALA A HB3 13 ATOM 19596 N N . LYS A 1 83 ? 4.603 -16.975 -0.308 1.00 0.00 ? 83 LYS A N 13 ATOM 19597 C CA . LYS A 1 83 ? 4.692 -17.877 -1.450 1.00 0.00 ? 83 LYS A CA 13 ATOM 19598 C C . LYS A 1 83 ? 5.280 -19.222 -1.035 1.00 0.00 ? 83 LYS A C 13 ATOM 19599 O O . LYS A 1 83 ? 4.915 -20.264 -1.579 1.00 0.00 ? 83 LYS A O 13 ATOM 19600 C CB . LYS A 1 83 ? 5.548 -17.253 -2.554 1.00 0.00 ? 83 LYS A CB 13 ATOM 19601 C CG . LYS A 1 83 ? 5.057 -15.889 -3.007 1.00 0.00 ? 83 LYS A CG 13 ATOM 19602 C CD . LYS A 1 83 ? 4.036 -16.007 -4.126 1.00 0.00 ? 83 LYS A CD 13 ATOM 19603 C CE . LYS A 1 83 ? 4.094 -14.809 -5.062 1.00 0.00 ? 83 LYS A CE 13 ATOM 19604 N NZ . LYS A 1 83 ? 5.285 -14.860 -5.955 1.00 0.00 ? 83 LYS A NZ 13 ATOM 19605 H H . LYS A 1 83 ? 5.179 -16.181 -0.281 1.00 0.00 ? 83 LYS A H 13 ATOM 19606 H HA . LYS A 1 83 ? 3.693 -18.036 -1.826 1.00 0.00 ? 83 LYS A HA 13 ATOM 19607 H HB2 . LYS A 1 83 ? 6.560 -17.147 -2.192 1.00 0.00 ? 83 LYS A HB2 13 ATOM 19608 H HB3 . LYS A 1 83 ? 5.549 -17.914 -3.409 1.00 0.00 ? 83 LYS A HB3 13 ATOM 19609 H HG2 . LYS A 1 83 ? 4.599 -15.385 -2.169 1.00 0.00 ? 83 LYS A HG2 13 ATOM 19610 H HG3 . LYS A 1 83 ? 5.900 -15.312 -3.360 1.00 0.00 ? 83 LYS A HG3 13 ATOM 19611 H HD2 . LYS A 1 83 ? 4.239 -16.903 -4.694 1.00 0.00 ? 83 LYS A HD2 13 ATOM 19612 H HD3 . LYS A 1 83 ? 3.047 -16.069 -3.695 1.00 0.00 ? 83 LYS A HD3 13 ATOM 19613 H HE2 . LYS A 1 83 ? 3.201 -14.799 -5.667 1.00 0.00 ? 83 LYS A HE2 13 ATOM 19614 H HE3 . LYS A 1 83 ? 4.137 -13.908 -4.469 1.00 0.00 ? 83 LYS A HE3 13 ATOM 19615 H HZ1 . LYS A 1 83 ? 5.754 -15.785 -5.872 1.00 0.00 ? 83 LYS A HZ1 13 ATOM 19616 H HZ2 . LYS A 1 83 ? 5.961 -14.116 -5.691 1.00 0.00 ? 83 LYS A HZ2 13 ATOM 19617 H HZ3 . LYS A 1 83 ? 4.996 -14.717 -6.944 1.00 0.00 ? 83 LYS A HZ3 13 ATOM 19618 N N . ARG A 1 84 ? 6.192 -19.192 -0.068 1.00 0.00 ? 84 ARG A N 13 ATOM 19619 C CA . ARG A 1 84 ? 6.830 -20.408 0.419 1.00 0.00 ? 84 ARG A CA 13 ATOM 19620 C C . ARG A 1 84 ? 6.067 -20.983 1.609 1.00 0.00 ? 84 ARG A C 13 ATOM 19621 O O . ARG A 1 84 ? 5.880 -22.195 1.711 1.00 0.00 ? 84 ARG A O 13 ATOM 19622 C CB . ARG A 1 84 ? 8.279 -20.125 0.817 1.00 0.00 ? 84 ARG A CB 13 ATOM 19623 C CG . ARG A 1 84 ? 8.425 -18.995 1.823 1.00 0.00 ? 84 ARG A CG 13 ATOM 19624 C CD . ARG A 1 84 ? 9.831 -18.941 2.401 1.00 0.00 ? 84 ARG A CD 13 ATOM 19625 N NE . ARG A 1 84 ? 9.985 -19.831 3.549 1.00 0.00 ? 84 ARG A NE 13 ATOM 19626 C CZ . ARG A 1 84 ? 11.161 -20.261 3.992 1.00 0.00 ? 84 ARG A CZ 13 ATOM 19627 N NH1 . ARG A 1 84 ? 12.279 -19.885 3.387 1.00 0.00 ? 84 ARG A NH1 13 ATOM 19628 N NH2 . ARG A 1 84 ? 11.219 -21.069 5.043 1.00 0.00 ? 84 ARG A NH2 13 ATOM 19629 H H . ARG A 1 84 ? 6.442 -18.330 0.326 1.00 0.00 ? 84 ARG A H 13 ATOM 19630 H HA . ARG A 1 84 ? 6.821 -21.132 -0.382 1.00 0.00 ? 84 ARG A HA 13 ATOM 19631 H HB2 . ARG A 1 84 ? 8.703 -21.019 1.251 1.00 0.00 ? 84 ARG A HB2 13 ATOM 19632 H HB3 . ARG A 1 84 ? 8.839 -19.865 -0.068 1.00 0.00 ? 84 ARG A HB3 13 ATOM 19633 H HG2 . ARG A 1 84 ? 8.215 -18.057 1.329 1.00 0.00 ? 84 ARG A HG2 13 ATOM 19634 H HG3 . ARG A 1 84 ? 7.720 -19.147 2.626 1.00 0.00 ? 84 ARG A HG3 13 ATOM 19635 H HD2 . ARG A 1 84 ? 10.532 -19.234 1.634 1.00 0.00 ? 84 ARG A HD2 13 ATOM 19636 H HD3 . ARG A 1 84 ? 10.039 -17.928 2.711 1.00 0.00 ? 84 ARG A HD3 13 ATOM 19637 H HE . ARG A 1 84 ? 9.171 -20.121 4.010 1.00 0.00 ? 84 ARG A HE 13 ATOM 19638 H HH11 . ARG A 1 84 ? 12.238 -19.275 2.596 1.00 0.00 ? 84 ARG A HH11 13 ATOM 19639 H HH12 . ARG A 1 84 ? 13.163 -20.210 3.724 1.00 0.00 ? 84 ARG A HH12 13 ATOM 19640 H HH21 . ARG A 1 84 ? 10.378 -21.355 5.501 1.00 0.00 ? 84 ARG A HH21 13 ATOM 19641 H HH22 . ARG A 1 84 ? 12.105 -21.393 5.376 1.00 0.00 ? 84 ARG A HH22 13 ATOM 19642 N N . GLU A 1 85 ? 5.631 -20.104 2.506 1.00 0.00 ? 85 GLU A N 13 ATOM 19643 C CA . GLU A 1 85 ? 4.890 -20.525 3.690 1.00 0.00 ? 85 GLU A CA 13 ATOM 19644 C C . GLU A 1 85 ? 3.592 -21.225 3.298 1.00 0.00 ? 85 GLU A C 13 ATOM 19645 O O . GLU A 1 85 ? 3.435 -22.427 3.508 1.00 0.00 ? 85 GLU A O 13 ATOM 19646 C CB . GLU A 1 85 ? 4.584 -19.321 4.582 1.00 0.00 ? 85 GLU A CB 13 ATOM 19647 C CG . GLU A 1 85 ? 5.825 -18.657 5.155 1.00 0.00 ? 85 GLU A CG 13 ATOM 19648 C CD . GLU A 1 85 ? 6.293 -19.307 6.443 1.00 0.00 ? 85 GLU A CD 13 ATOM 19649 O OE1 . GLU A 1 85 ? 5.442 -19.554 7.324 1.00 0.00 ? 85 GLU A OE1 13 ATOM 19650 O OE2 . GLU A 1 85 ? 7.507 -19.567 6.571 1.00 0.00 ? 85 GLU A OE2 13 ATOM 19651 H H . GLU A 1 85 ? 5.812 -19.151 2.369 1.00 0.00 ? 85 GLU A H 13 ATOM 19652 H HA . GLU A 1 85 ? 5.508 -21.220 4.238 1.00 0.00 ? 85 GLU A HA 13 ATOM 19653 H HB2 . GLU A 1 85 ? 4.043 -18.587 4.004 1.00 0.00 ? 85 GLU A HB2 13 ATOM 19654 H HB3 . GLU A 1 85 ? 3.964 -19.646 5.405 1.00 0.00 ? 85 GLU A HB3 13 ATOM 19655 H HG2 . GLU A 1 85 ? 6.621 -18.722 4.428 1.00 0.00 ? 85 GLU A HG2 13 ATOM 19656 H HG3 . GLU A 1 85 ? 5.604 -17.618 5.352 1.00 0.00 ? 85 GLU A HG3 13 ATOM 19657 N N . GLU A 1 86 ? 2.664 -20.462 2.729 1.00 0.00 ? 86 GLU A N 13 ATOM 19658 C CA . GLU A 1 86 ? 1.378 -21.008 2.310 1.00 0.00 ? 86 GLU A CA 13 ATOM 19659 C C . GLU A 1 86 ? 1.553 -22.385 1.675 1.00 0.00 ? 86 GLU A C 13 ATOM 19660 O O . GLU A 1 86 ? 0.892 -23.348 2.064 1.00 0.00 ? 86 GLU A O 13 ATOM 19661 C CB . GLU A 1 86 ? 0.695 -20.062 1.321 1.00 0.00 ? 86 GLU A CB 13 ATOM 19662 C CG . GLU A 1 86 ? -0.823 -20.134 1.359 1.00 0.00 ? 86 GLU A CG 13 ATOM 19663 C CD . GLU A 1 86 ? -1.465 -19.570 0.106 1.00 0.00 ? 86 GLU A CD 13 ATOM 19664 O OE1 . GLU A 1 86 ? -0.807 -19.584 -0.955 1.00 0.00 ? 86 GLU A OE1 13 ATOM 19665 O OE2 . GLU A 1 86 ? -2.625 -19.114 0.187 1.00 0.00 ? 86 GLU A OE2 13 ATOM 19666 H H . GLU A 1 86 ? 2.847 -19.510 2.588 1.00 0.00 ? 86 GLU A H 13 ATOM 19667 H HA . GLU A 1 86 ? 0.757 -21.106 3.187 1.00 0.00 ? 86 GLU A HA 13 ATOM 19668 H HB2 . GLU A 1 86 ? 0.992 -19.048 1.546 1.00 0.00 ? 86 GLU A HB2 13 ATOM 19669 H HB3 . GLU A 1 86 ? 1.021 -20.309 0.321 1.00 0.00 ? 86 GLU A HB3 13 ATOM 19670 H HG2 . GLU A 1 86 ? -1.119 -21.167 1.462 1.00 0.00 ? 86 GLU A HG2 13 ATOM 19671 H HG3 . GLU A 1 86 ? -1.176 -19.573 2.211 1.00 0.00 ? 86 GLU A HG3 13 ATOM 19672 N N . ARG A 1 87 ? 2.448 -22.469 0.696 1.00 0.00 ? 87 ARG A N 13 ATOM 19673 C CA . ARG A 1 87 ? 2.709 -23.726 0.006 1.00 0.00 ? 87 ARG A CA 13 ATOM 19674 C C . ARG A 1 87 ? 3.084 -24.824 0.998 1.00 0.00 ? 87 ARG A C 13 ATOM 19675 O O . ARG A 1 87 ? 2.515 -25.916 0.975 1.00 0.00 ? 87 ARG A O 13 ATOM 19676 C CB . ARG A 1 87 ? 3.830 -23.547 -1.020 1.00 0.00 ? 87 ARG A CB 13 ATOM 19677 C CG . ARG A 1 87 ? 3.349 -23.020 -2.362 1.00 0.00 ? 87 ARG A CG 13 ATOM 19678 C CD . ARG A 1 87 ? 2.598 -24.088 -3.142 1.00 0.00 ? 87 ARG A CD 13 ATOM 19679 N NE . ARG A 1 87 ? 3.460 -25.210 -3.502 1.00 0.00 ? 87 ARG A NE 13 ATOM 19680 C CZ . ARG A 1 87 ? 3.026 -26.300 -4.125 1.00 0.00 ? 87 ARG A CZ 13 ATOM 19681 N NH1 . ARG A 1 87 ? 1.747 -26.414 -4.455 1.00 0.00 ? 87 ARG A NH1 13 ATOM 19682 N NH2 . ARG A 1 87 ? 3.871 -27.280 -4.419 1.00 0.00 ? 87 ARG A NH2 13 ATOM 19683 H H . ARG A 1 87 ? 2.944 -21.666 0.430 1.00 0.00 ? 87 ARG A H 13 ATOM 19684 H HA . ARG A 1 87 ? 1.805 -24.016 -0.509 1.00 0.00 ? 87 ARG A HA 13 ATOM 19685 H HB2 . ARG A 1 87 ? 4.556 -22.851 -0.624 1.00 0.00 ? 87 ARG A HB2 13 ATOM 19686 H HB3 . ARG A 1 87 ? 4.309 -24.500 -1.182 1.00 0.00 ? 87 ARG A HB3 13 ATOM 19687 H HG2 . ARG A 1 87 ? 2.689 -22.182 -2.194 1.00 0.00 ? 87 ARG A HG2 13 ATOM 19688 H HG3 . ARG A 1 87 ? 4.203 -22.698 -2.939 1.00 0.00 ? 87 ARG A HG3 13 ATOM 19689 H HD2 . ARG A 1 87 ? 1.783 -24.452 -2.535 1.00 0.00 ? 87 ARG A HD2 13 ATOM 19690 H HD3 . ARG A 1 87 ? 2.204 -23.644 -4.045 1.00 0.00 ? 87 ARG A HD3 13 ATOM 19691 H HE . ARG A 1 87 ? 4.409 -25.148 -3.268 1.00 0.00 ? 87 ARG A HE 13 ATOM 19692 H HH11 . ARG A 1 87 ? 1.107 -25.677 -4.236 1.00 0.00 ? 87 ARG A HH11 13 ATOM 19693 H HH12 . ARG A 1 87 ? 1.422 -27.235 -4.925 1.00 0.00 ? 87 ARG A HH12 13 ATOM 19694 H HH21 . ARG A 1 87 ? 4.836 -27.198 -4.172 1.00 0.00 ? 87 ARG A HH21 13 ATOM 19695 H HH22 . ARG A 1 87 ? 3.543 -28.099 -4.887 1.00 0.00 ? 87 ARG A HH22 13 ATOM 19696 N N . LEU A 1 88 ? 4.043 -24.526 1.866 1.00 0.00 ? 88 LEU A N 13 ATOM 19697 C CA . LEU A 1 88 ? 4.495 -25.487 2.867 1.00 0.00 ? 88 LEU A CA 13 ATOM 19698 C C . LEU A 1 88 ? 3.340 -25.925 3.762 1.00 0.00 ? 88 LEU A C 13 ATOM 19699 O O . LEU A 1 88 ? 2.931 -27.086 3.743 1.00 0.00 ? 88 LEU A O 13 ATOM 19700 C CB . LEU A 1 88 ? 5.613 -24.881 3.717 1.00 0.00 ? 88 LEU A CB 13 ATOM 19701 C CG . LEU A 1 88 ? 7.037 -25.094 3.204 1.00 0.00 ? 88 LEU A CG 13 ATOM 19702 C CD1 . LEU A 1 88 ? 7.205 -24.479 1.823 1.00 0.00 ? 88 LEU A CD1 13 ATOM 19703 C CD2 . LEU A 1 88 ? 8.048 -24.506 4.178 1.00 0.00 ? 88 LEU A CD2 13 ATOM 19704 H H . LEU A 1 88 ? 4.459 -23.639 1.835 1.00 0.00 ? 88 LEU A H 13 ATOM 19705 H HA . LEU A 1 88 ? 4.879 -26.352 2.346 1.00 0.00 ? 88 LEU A HA 13 ATOM 19706 H HB2 . LEU A 1 88 ? 5.440 -23.817 3.780 1.00 0.00 ? 88 LEU A HB2 13 ATOM 19707 H HB3 . LEU A 1 88 ? 5.547 -25.314 4.705 1.00 0.00 ? 88 LEU A HB3 13 ATOM 19708 H HG . LEU A 1 88 ? 7.228 -26.155 3.122 1.00 0.00 ? 88 LEU A HG 13 ATOM 19709 H HD11 . LEU A 1 88 ? 7.801 -25.135 1.207 1.00 0.00 ? 88 LEU A HD11 13 ATOM 19710 H HD12 . LEU A 1 88 ? 7.697 -23.522 1.912 1.00 0.00 ? 88 LEU A HD12 13 ATOM 19711 H HD13 . LEU A 1 88 ? 6.234 -24.343 1.370 1.00 0.00 ? 88 LEU A HD13 13 ATOM 19712 H HD21 . LEU A 1 88 ? 7.656 -24.565 5.182 1.00 0.00 ? 88 LEU A HD21 13 ATOM 19713 H HD22 . LEU A 1 88 ? 8.233 -23.472 3.924 1.00 0.00 ? 88 LEU A HD22 13 ATOM 19714 H HD23 . LEU A 1 88 ? 8.971 -25.063 4.118 1.00 0.00 ? 88 LEU A HD23 13 ATOM 19715 N N . LYS A 1 89 ? 2.815 -24.986 4.543 1.00 0.00 ? 89 LYS A N 13 ATOM 19716 C CA . LYS A 1 89 ? 1.705 -25.273 5.443 1.00 0.00 ? 89 LYS A CA 13 ATOM 19717 C C . LYS A 1 89 ? 0.602 -26.039 4.720 1.00 0.00 ? 89 LYS A C 13 ATOM 19718 O O . LYS A 1 89 ? -0.023 -26.932 5.290 1.00 0.00 ? 89 LYS A O 13 ATOM 19719 C CB . LYS A 1 89 ? 1.142 -23.973 6.022 1.00 0.00 ? 89 LYS A CB 13 ATOM 19720 C CG . LYS A 1 89 ? 0.468 -23.088 4.987 1.00 0.00 ? 89 LYS A CG 13 ATOM 19721 C CD . LYS A 1 89 ? -0.273 -21.933 5.639 1.00 0.00 ? 89 LYS A CD 13 ATOM 19722 C CE . LYS A 1 89 ? -1.679 -22.336 6.056 1.00 0.00 ? 89 LYS A CE 13 ATOM 19723 N NZ . LYS A 1 89 ? -2.598 -22.431 4.888 1.00 0.00 ? 89 LYS A NZ 13 ATOM 19724 H H . LYS A 1 89 ? 3.184 -24.078 4.513 1.00 0.00 ? 89 LYS A H 13 ATOM 19725 H HA . LYS A 1 89 ? 2.081 -25.883 6.250 1.00 0.00 ? 89 LYS A HA 13 ATOM 19726 H HB2 . LYS A 1 89 ? 0.417 -24.216 6.784 1.00 0.00 ? 89 LYS A HB2 13 ATOM 19727 H HB3 . LYS A 1 89 ? 1.950 -23.413 6.471 1.00 0.00 ? 89 LYS A HB3 13 ATOM 19728 H HG2 . LYS A 1 89 ? 1.220 -22.689 4.323 1.00 0.00 ? 89 LYS A HG2 13 ATOM 19729 H HG3 . LYS A 1 89 ? -0.236 -23.682 4.422 1.00 0.00 ? 89 LYS A HG3 13 ATOM 19730 H HD2 . LYS A 1 89 ? 0.273 -21.615 6.515 1.00 0.00 ? 89 LYS A HD2 13 ATOM 19731 H HD3 . LYS A 1 89 ? -0.336 -21.114 4.936 1.00 0.00 ? 89 LYS A HD3 13 ATOM 19732 H HE2 . LYS A 1 89 ? -1.633 -23.297 6.546 1.00 0.00 ? 89 LYS A HE2 13 ATOM 19733 H HE3 . LYS A 1 89 ? -2.062 -21.598 6.745 1.00 0.00 ? 89 LYS A HE3 13 ATOM 19734 H HZ1 . LYS A 1 89 ? -3.439 -21.841 5.047 1.00 0.00 ? 89 LYS A HZ1 13 ATOM 19735 H HZ2 . LYS A 1 89 ? -2.900 -23.417 4.750 1.00 0.00 ? 89 LYS A HZ2 13 ATOM 19736 H HZ3 . LYS A 1 89 ? -2.116 -22.105 4.026 1.00 0.00 ? 89 LYS A HZ3 13 ATOM 19737 N N . ALA A 1 90 ? 0.369 -25.684 3.460 1.00 0.00 ? 90 ALA A N 13 ATOM 19738 C CA . ALA A 1 90 ? -0.656 -26.340 2.658 1.00 0.00 ? 90 ALA A CA 13 ATOM 19739 C C . ALA A 1 90 ? -0.296 -27.798 2.394 1.00 0.00 ? 90 ALA A C 13 ATOM 19740 O O . ALA A 1 90 ? 0.775 -28.097 1.864 1.00 0.00 ? 90 ALA A O 13 ATOM 19741 C CB . ALA A 1 90 ? -0.855 -25.597 1.346 1.00 0.00 ? 90 ALA A CB 13 ATOM 19742 H H . ALA A 1 90 ? 0.900 -24.964 3.061 1.00 0.00 ? 90 ALA A H 13 ATOM 19743 H HA . ALA A 1 90 ? -1.585 -26.304 3.209 1.00 0.00 ? 90 ALA A HA 13 ATOM 19744 H HB1 . ALA A 1 90 ? -1.752 -25.958 0.862 1.00 0.00 ? 90 ALA A HB1 13 ATOM 19745 H HB2 . ALA A 1 90 ? -0.952 -24.540 1.542 1.00 0.00 ? 90 ALA A HB2 13 ATOM 19746 H HB3 . ALA A 1 90 ? -0.005 -25.768 0.703 1.00 0.00 ? 90 ALA A HB3 13 ATOM 19747 N N . HIS A 1 91 ? -1.196 -28.703 2.767 1.00 0.00 ? 91 HIS A N 13 ATOM 19748 C CA . HIS A 1 91 ? -0.972 -30.130 2.570 1.00 0.00 ? 91 HIS A CA 13 ATOM 19749 C C . HIS A 1 91 ? -1.154 -30.511 1.104 1.00 0.00 ? 91 HIS A C 13 ATOM 19750 O O . HIS A 1 91 ? -2.273 -30.523 0.590 1.00 0.00 ? 91 HIS A O 13 ATOM 19751 C CB . HIS A 1 91 ? -1.928 -30.943 3.443 1.00 0.00 ? 91 HIS A CB 13 ATOM 19752 C CG . HIS A 1 91 ? -1.518 -32.374 3.608 1.00 0.00 ? 91 HIS A CG 13 ATOM 19753 N ND1 . HIS A 1 91 ? -0.581 -32.787 4.531 1.00 0.00 ? 91 HIS A ND1 13 ATOM 19754 C CD2 . HIS A 1 91 ? -1.925 -33.492 2.962 1.00 0.00 ? 91 HIS A CD2 13 ATOM 19755 C CE1 . HIS A 1 91 ? -0.428 -34.097 4.445 1.00 0.00 ? 91 HIS A CE1 13 ATOM 19756 N NE2 . HIS A 1 91 ? -1.233 -34.549 3.500 1.00 0.00 ? 91 HIS A NE2 13 ATOM 19757 H H . HIS A 1 91 ? -2.030 -28.402 3.184 1.00 0.00 ? 91 HIS A H 13 ATOM 19758 H HA . HIS A 1 91 ? 0.044 -30.350 2.862 1.00 0.00 ? 91 HIS A HA 13 ATOM 19759 H HB2 . HIS A 1 91 ? -1.976 -30.497 4.425 1.00 0.00 ? 91 HIS A HB2 13 ATOM 19760 H HB3 . HIS A 1 91 ? -2.913 -30.928 2.998 1.00 0.00 ? 91 HIS A HB3 13 ATOM 19761 H HD1 . HIS A 1 91 ? -0.099 -32.207 5.156 1.00 0.00 ? 91 HIS A HD1 13 ATOM 19762 H HD2 . HIS A 1 91 ? -2.659 -33.544 2.169 1.00 0.00 ? 91 HIS A HD2 13 ATOM 19763 H HE1 . HIS A 1 91 ? 0.240 -34.696 5.045 1.00 0.00 ? 91 HIS A HE1 13 ATOM 19764 H HE2 . HIS A 1 91 ? -1.256 -35.472 3.173 1.00 0.00 ? 91 HIS A HE2 13 ATOM 19765 N N . SER A 1 92 ? -0.048 -30.822 0.436 1.00 0.00 ? 92 SER A N 13 ATOM 19766 C CA . SER A 1 92 ? -0.085 -31.199 -0.972 1.00 0.00 ? 92 SER A CA 13 ATOM 19767 C C . SER A 1 92 ? 0.324 -32.657 -1.155 1.00 0.00 ? 92 SER A C 13 ATOM 19768 O O . SER A 1 92 ? -0.460 -33.479 -1.627 1.00 0.00 ? 92 SER A O 13 ATOM 19769 C CB . SER A 1 92 ? 0.837 -30.292 -1.789 1.00 0.00 ? 92 SER A CB 13 ATOM 19770 O OG . SER A 1 92 ? 2.148 -30.279 -1.251 1.00 0.00 ? 92 SER A OG 13 ATOM 19771 H H . SER A 1 92 ? 0.815 -30.794 0.901 1.00 0.00 ? 92 SER A H 13 ATOM 19772 H HA . SER A 1 92 ? -1.099 -31.075 -1.322 1.00 0.00 ? 92 SER A HA 13 ATOM 19773 H HB2 . SER A 1 92 ? 0.883 -30.652 -2.806 1.00 0.00 ? 92 SER A HB2 13 ATOM 19774 H HB3 . SER A 1 92 ? 0.447 -29.285 -1.781 1.00 0.00 ? 92 SER A HB3 13 ATOM 19775 H HG . SER A 1 92 ? 2.698 -29.681 -1.761 1.00 0.00 ? 92 SER A HG 13 ATOM 19776 N N . GLY A 1 93 ? 1.560 -32.971 -0.778 1.00 0.00 ? 93 GLY A N 13 ATOM 19777 C CA . GLY A 1 93 ? 2.053 -34.329 -0.908 1.00 0.00 ? 93 GLY A CA 13 ATOM 19778 C C . GLY A 1 93 ? 3.539 -34.436 -0.624 1.00 0.00 ? 93 GLY A C 13 ATOM 19779 O O . GLY A 1 93 ? 4.368 -34.427 -1.534 1.00 0.00 ? 93 GLY A O 13 ATOM 19780 H H . GLY A 1 93 ? 2.141 -32.274 -0.408 1.00 0.00 ? 93 GLY A H 13 ATOM 19781 H HA2 . GLY A 1 93 ? 1.519 -34.963 -0.216 1.00 0.00 ? 93 GLY A HA2 13 ATOM 19782 H HA3 . GLY A 1 93 ? 1.865 -34.674 -1.914 1.00 0.00 ? 93 GLY A HA3 13 ATOM 19783 N N . PRO A 1 94 ? 3.893 -34.539 0.665 1.00 0.00 ? 94 PRO A N 13 ATOM 19784 C CA . PRO A 1 94 ? 5.290 -34.649 1.096 1.00 0.00 ? 94 PRO A CA 13 ATOM 19785 C C . PRO A 1 94 ? 5.909 -35.990 0.717 1.00 0.00 ? 94 PRO A C 13 ATOM 19786 O O . PRO A 1 94 ? 5.827 -36.958 1.472 1.00 0.00 ? 94 PRO A O 13 ATOM 19787 C CB . PRO A 1 94 ? 5.204 -34.511 2.618 1.00 0.00 ? 94 PRO A CB 13 ATOM 19788 C CG . PRO A 1 94 ? 3.825 -34.960 2.962 1.00 0.00 ? 94 PRO A CG 13 ATOM 19789 C CD . PRO A 1 94 ? 2.957 -34.557 1.802 1.00 0.00 ? 94 PRO A CD 13 ATOM 19790 H HA . PRO A 1 94 ? 5.893 -33.849 0.694 1.00 0.00 ? 94 PRO A HA 13 ATOM 19791 H HB2 . PRO A 1 94 ? 5.952 -35.138 3.082 1.00 0.00 ? 94 PRO A HB2 13 ATOM 19792 H HB3 . PRO A 1 94 ? 5.365 -33.481 2.899 1.00 0.00 ? 94 PRO A HB3 13 ATOM 19793 H HG2 . PRO A 1 94 ? 3.809 -36.032 3.088 1.00 0.00 ? 94 PRO A HG2 13 ATOM 19794 H HG3 . PRO A 1 94 ? 3.495 -34.470 3.865 1.00 0.00 ? 94 PRO A HG3 13 ATOM 19795 H HD2 . PRO A 1 94 ? 2.174 -35.284 1.646 1.00 0.00 ? 94 PRO A HD2 13 ATOM 19796 H HD3 . PRO A 1 94 ? 2.536 -33.576 1.969 1.00 0.00 ? 94 PRO A HD3 13 ATOM 19797 N N . SER A 1 95 ? 6.531 -36.039 -0.457 1.00 0.00 ? 95 SER A N 13 ATOM 19798 C CA . SER A 1 95 ? 7.162 -37.263 -0.937 1.00 0.00 ? 95 SER A CA 13 ATOM 19799 C C . SER A 1 95 ? 8.351 -37.641 -0.060 1.00 0.00 ? 95 SER A C 13 ATOM 19800 O O . SER A 1 95 ? 8.746 -36.886 0.828 1.00 0.00 ? 95 SER A O 13 ATOM 19801 C CB . SER A 1 95 ? 7.618 -37.091 -2.388 1.00 0.00 ? 95 SER A CB 13 ATOM 19802 O OG . SER A 1 95 ? 7.737 -38.345 -3.037 1.00 0.00 ? 95 SER A OG 13 ATOM 19803 H H . SER A 1 95 ? 6.563 -35.233 -1.014 1.00 0.00 ? 95 SER A H 13 ATOM 19804 H HA . SER A 1 95 ? 6.429 -38.054 -0.891 1.00 0.00 ? 95 SER A HA 13 ATOM 19805 H HB2 . SER A 1 95 ? 6.896 -36.490 -2.920 1.00 0.00 ? 95 SER A HB2 13 ATOM 19806 H HB3 . SER A 1 95 ? 8.579 -36.598 -2.404 1.00 0.00 ? 95 SER A HB3 13 ATOM 19807 H HG . SER A 1 95 ? 6.906 -38.564 -3.465 1.00 0.00 ? 95 SER A HG 13 ATOM 19808 N N . SER A 1 96 ? 8.917 -38.816 -0.316 1.00 0.00 ? 96 SER A N 13 ATOM 19809 C CA . SER A 1 96 ? 10.059 -39.298 0.452 1.00 0.00 ? 96 SER A CA 13 ATOM 19810 C C . SER A 1 96 ? 11.237 -39.612 -0.465 1.00 0.00 ? 96 SER A C 13 ATOM 19811 O O . SER A 1 96 ? 12.370 -39.213 -0.198 1.00 0.00 ? 96 SER A O 13 ATOM 19812 C CB . SER A 1 96 ? 9.673 -40.545 1.251 1.00 0.00 ? 96 SER A CB 13 ATOM 19813 O OG . SER A 1 96 ? 10.686 -40.888 2.181 1.00 0.00 ? 96 SER A OG 13 ATOM 19814 H H . SER A 1 96 ? 8.556 -39.373 -1.037 1.00 0.00 ? 96 SER A H 13 ATOM 19815 H HA . SER A 1 96 ? 10.350 -38.517 1.139 1.00 0.00 ? 96 SER A HA 13 ATOM 19816 H HB2 . SER A 1 96 ? 8.757 -40.355 1.789 1.00 0.00 ? 96 SER A HB2 13 ATOM 19817 H HB3 . SER A 1 96 ? 9.528 -41.373 0.573 1.00 0.00 ? 96 SER A HB3 13 ATOM 19818 H HG . SER A 1 96 ? 10.935 -40.111 2.686 1.00 0.00 ? 96 SER A HG 13 ATOM 19819 N N . GLY A 1 97 ? 10.961 -40.332 -1.548 1.00 0.00 ? 97 GLY A N 13 ATOM 19820 C CA . GLY A 1 97 ? 12.006 -40.688 -2.489 1.00 0.00 ? 97 GLY A CA 13 ATOM 19821 C C . GLY A 1 97 ? 11.731 -42.003 -3.192 1.00 0.00 ? 97 GLY A C 13 ATOM 19822 O O . GLY A 1 97 ? 11.956 -43.074 -2.629 1.00 0.00 ? 97 GLY A O 13 ATOM 19823 H H . GLY A 1 97 ? 10.039 -40.623 -1.709 1.00 0.00 ? 97 GLY A H 13 ATOM 19824 H HA2 . GLY A 1 97 ? 12.091 -39.907 -3.229 1.00 0.00 ? 97 GLY A HA2 13 ATOM 19825 H HA3 . GLY A 1 97 ? 12.942 -40.768 -1.955 1.00 0.00 ? 97 GLY A HA3 13 ATOM 19826 N N . GLY A 1 1 ? -0.007 34.909 17.088 1.00 0.00 ? 1 GLY A N 14 ATOM 19827 C CA . GLY A 1 1 ? -0.031 35.631 15.829 1.00 0.00 ? 1 GLY A CA 14 ATOM 19828 C C . GLY A 1 1 ? 0.177 34.720 14.635 1.00 0.00 ? 1 GLY A C 14 ATOM 19829 O O . GLY A 1 1 ? 1.312 34.436 14.253 1.00 0.00 ? 1 GLY A O 14 ATOM 19830 H H1 . GLY A 1 1 ? -0.617 35.168 17.810 1.00 0.00 ? 1 GLY A H1 14 ATOM 19831 H HA2 . GLY A 1 1 ? -0.985 36.126 15.729 1.00 0.00 ? 1 GLY A HA2 14 ATOM 19832 H HA3 . GLY A 1 1 ? 0.751 36.376 15.839 1.00 0.00 ? 1 GLY A HA3 14 ATOM 19833 N N . SER A 1 2 ? -0.921 34.261 14.044 1.00 0.00 ? 2 SER A N 14 ATOM 19834 C CA . SER A 1 2 ? -0.854 33.373 12.889 1.00 0.00 ? 2 SER A CA 14 ATOM 19835 C C . SER A 1 2 ? 0.142 33.896 11.859 1.00 0.00 ? 2 SER A C 14 ATOM 19836 O O . SER A 1 2 ? -0.024 34.989 11.318 1.00 0.00 ? 2 SER A O 14 ATOM 19837 C CB . SER A 1 2 ? -2.237 33.226 12.251 1.00 0.00 ? 2 SER A CB 14 ATOM 19838 O OG . SER A 1 2 ? -3.201 32.824 13.208 1.00 0.00 ? 2 SER A OG 14 ATOM 19839 H H . SER A 1 2 ? -1.798 34.524 14.395 1.00 0.00 ? 2 SER A H 14 ATOM 19840 H HA . SER A 1 2 ? -0.522 32.405 13.235 1.00 0.00 ? 2 SER A HA 14 ATOM 19841 H HB2 . SER A 1 2 ? -2.538 34.173 11.830 1.00 0.00 ? 2 SER A HB2 14 ATOM 19842 H HB3 . SER A 1 2 ? -2.191 32.483 11.468 1.00 0.00 ? 2 SER A HB3 14 ATOM 19843 H HG . SER A 1 2 ? -4.019 33.304 13.061 1.00 0.00 ? 2 SER A HG 14 ATOM 19844 N N . SER A 1 3 ? 1.178 33.107 11.592 1.00 0.00 ? 3 SER A N 14 ATOM 19845 C CA . SER A 1 3 ? 2.204 33.491 10.630 1.00 0.00 ? 3 SER A CA 14 ATOM 19846 C C . SER A 1 3 ? 2.440 32.377 9.615 1.00 0.00 ? 3 SER A C 14 ATOM 19847 O O . SER A 1 3 ? 3.362 31.575 9.759 1.00 0.00 ? 3 SER A O 14 ATOM 19848 C CB . SER A 1 3 ? 3.510 33.825 11.352 1.00 0.00 ? 3 SER A CB 14 ATOM 19849 O OG . SER A 1 3 ? 3.327 34.885 12.274 1.00 0.00 ? 3 SER A OG 14 ATOM 19850 H H . SER A 1 3 ? 1.255 32.247 12.056 1.00 0.00 ? 3 SER A H 14 ATOM 19851 H HA . SER A 1 3 ? 1.856 34.370 10.108 1.00 0.00 ? 3 SER A HA 14 ATOM 19852 H HB2 . SER A 1 3 ? 3.856 32.954 11.887 1.00 0.00 ? 3 SER A HB2 14 ATOM 19853 H HB3 . SER A 1 3 ? 4.254 34.119 10.625 1.00 0.00 ? 3 SER A HB3 14 ATOM 19854 H HG . SER A 1 3 ? 3.445 34.555 13.168 1.00 0.00 ? 3 SER A HG 14 ATOM 19855 N N . GLY A 1 4 ? 1.599 32.334 8.586 1.00 0.00 ? 4 GLY A N 14 ATOM 19856 C CA . GLY A 1 4 ? 1.732 31.315 7.561 1.00 0.00 ? 4 GLY A CA 14 ATOM 19857 C C . GLY A 1 4 ? 1.171 29.976 7.998 1.00 0.00 ? 4 GLY A C 14 ATOM 19858 O O . GLY A 1 4 ? 1.911 29.003 8.141 1.00 0.00 ? 4 GLY A O 14 ATOM 19859 H H . GLY A 1 4 ? 0.882 32.999 8.522 1.00 0.00 ? 4 GLY A H 14 ATOM 19860 H HA2 . GLY A 1 4 ? 1.209 31.641 6.674 1.00 0.00 ? 4 GLY A HA2 14 ATOM 19861 H HA3 . GLY A 1 4 ? 2.779 31.193 7.324 1.00 0.00 ? 4 GLY A HA3 14 ATOM 19862 N N . SER A 1 5 ? -0.140 29.927 8.211 1.00 0.00 ? 5 SER A N 14 ATOM 19863 C CA . SER A 1 5 ? -0.799 28.699 8.640 1.00 0.00 ? 5 SER A CA 14 ATOM 19864 C C . SER A 1 5 ? -1.696 28.150 7.535 1.00 0.00 ? 5 SER A C 14 ATOM 19865 O O . SER A 1 5 ? -2.894 28.429 7.496 1.00 0.00 ? 5 SER A O 14 ATOM 19866 C CB . SER A 1 5 ? -1.624 28.952 9.903 1.00 0.00 ? 5 SER A CB 14 ATOM 19867 O OG . SER A 1 5 ? -0.787 29.117 11.035 1.00 0.00 ? 5 SER A OG 14 ATOM 19868 H H . SER A 1 5 ? -0.676 30.737 8.080 1.00 0.00 ? 5 SER A H 14 ATOM 19869 H HA . SER A 1 5 ? -0.032 27.971 8.861 1.00 0.00 ? 5 SER A HA 14 ATOM 19870 H HB2 . SER A 1 5 ? -2.212 29.848 9.772 1.00 0.00 ? 5 SER A HB2 14 ATOM 19871 H HB3 . SER A 1 5 ? -2.281 28.112 10.075 1.00 0.00 ? 5 SER A HB3 14 ATOM 19872 H HG . SER A 1 5 ? -0.534 28.256 11.374 1.00 0.00 ? 5 SER A HG 14 ATOM 19873 N N . SER A 1 6 ? -1.106 27.366 6.638 1.00 0.00 ? 6 SER A N 14 ATOM 19874 C CA . SER A 1 6 ? -1.849 26.780 5.529 1.00 0.00 ? 6 SER A CA 14 ATOM 19875 C C . SER A 1 6 ? -1.507 25.302 5.366 1.00 0.00 ? 6 SER A C 14 ATOM 19876 O O . SER A 1 6 ? -0.336 24.924 5.337 1.00 0.00 ? 6 SER A O 14 ATOM 19877 C CB . SER A 1 6 ? -1.547 27.530 4.230 1.00 0.00 ? 6 SER A CB 14 ATOM 19878 O OG . SER A 1 6 ? -0.187 27.380 3.859 1.00 0.00 ? 6 SER A OG 14 ATOM 19879 H H . SER A 1 6 ? -0.147 27.180 6.722 1.00 0.00 ? 6 SER A H 14 ATOM 19880 H HA . SER A 1 6 ? -2.902 26.871 5.750 1.00 0.00 ? 6 SER A HA 14 ATOM 19881 H HB2 . SER A 1 6 ? -2.169 27.141 3.439 1.00 0.00 ? 6 SER A HB2 14 ATOM 19882 H HB3 . SER A 1 6 ? -1.756 28.581 4.369 1.00 0.00 ? 6 SER A HB3 14 ATOM 19883 H HG . SER A 1 6 ? 0.026 28.006 3.164 1.00 0.00 ? 6 SER A HG 14 ATOM 19884 N N . GLY A 1 7 ? -2.538 24.469 5.262 1.00 0.00 ? 7 GLY A N 14 ATOM 19885 C CA . GLY A 1 7 ? -2.327 23.042 5.104 1.00 0.00 ? 7 GLY A CA 14 ATOM 19886 C C . GLY A 1 7 ? -2.612 22.566 3.693 1.00 0.00 ? 7 GLY A C 14 ATOM 19887 O O . GLY A 1 7 ? -3.347 23.216 2.949 1.00 0.00 ? 7 GLY A O 14 ATOM 19888 H H . GLY A 1 7 ? -3.450 24.828 5.292 1.00 0.00 ? 7 GLY A H 14 ATOM 19889 H HA2 . GLY A 1 7 ? -1.301 22.812 5.350 1.00 0.00 ? 7 GLY A HA2 14 ATOM 19890 H HA3 . GLY A 1 7 ? -2.978 22.516 5.787 1.00 0.00 ? 7 GLY A HA3 14 ATOM 19891 N N . MET A 1 8 ? -2.029 21.431 3.324 1.00 0.00 ? 8 MET A N 14 ATOM 19892 C CA . MET A 1 8 ? -2.225 20.869 1.993 1.00 0.00 ? 8 MET A CA 14 ATOM 19893 C C . MET A 1 8 ? -3.460 19.975 1.956 1.00 0.00 ? 8 MET A C 14 ATOM 19894 O O . MET A 1 8 ? -3.356 18.767 1.747 1.00 0.00 ? 8 MET A O 14 ATOM 19895 C CB . MET A 1 8 ? -0.991 20.072 1.566 1.00 0.00 ? 8 MET A CB 14 ATOM 19896 C CG . MET A 1 8 ? 0.151 20.941 1.067 1.00 0.00 ? 8 MET A CG 14 ATOM 19897 S SD . MET A 1 8 ? -0.186 21.672 -0.547 1.00 0.00 ? 8 MET A SD 14 ATOM 19898 C CE . MET A 1 8 ? 0.748 20.580 -1.616 1.00 0.00 ? 8 MET A CE 14 ATOM 19899 H H . MET A 1 8 ? -1.455 20.958 3.962 1.00 0.00 ? 8 MET A H 14 ATOM 19900 H HA . MET A 1 8 ? -2.368 21.689 1.305 1.00 0.00 ? 8 MET A HA 14 ATOM 19901 H HB2 . MET A 1 8 ? -0.637 19.500 2.410 1.00 0.00 ? 8 MET A HB2 14 ATOM 19902 H HB3 . MET A 1 8 ? -1.271 19.394 0.774 1.00 0.00 ? 8 MET A HB3 14 ATOM 19903 H HG2 . MET A 1 8 ? 0.319 21.736 1.778 1.00 0.00 ? 8 MET A HG2 14 ATOM 19904 H HG3 . MET A 1 8 ? 1.041 20.334 0.993 1.00 0.00 ? 8 MET A HG3 14 ATOM 19905 H HE1 . MET A 1 8 ? 0.467 20.755 -2.644 1.00 0.00 ? 8 MET A HE1 14 ATOM 19906 H HE2 . MET A 1 8 ? 1.803 20.772 -1.492 1.00 0.00 ? 8 MET A HE2 14 ATOM 19907 H HE3 . MET A 1 8 ? 0.535 19.553 -1.355 1.00 0.00 ? 8 MET A HE3 14 ATOM 19908 N N . GLU A 1 9 ? -4.628 20.577 2.161 1.00 0.00 ? 9 GLU A N 14 ATOM 19909 C CA . GLU A 1 9 ? -5.882 19.834 2.151 1.00 0.00 ? 9 GLU A CA 14 ATOM 19910 C C . GLU A 1 9 ? -6.312 19.510 0.724 1.00 0.00 ? 9 GLU A C 14 ATOM 19911 O O . GLU A 1 9 ? -6.853 20.361 0.019 1.00 0.00 ? 9 GLU A O 14 ATOM 19912 C CB . GLU A 1 9 ? -6.979 20.633 2.858 1.00 0.00 ? 9 GLU A CB 14 ATOM 19913 C CG . GLU A 1 9 ? -6.861 20.622 4.373 1.00 0.00 ? 9 GLU A CG 14 ATOM 19914 C CD . GLU A 1 9 ? -5.999 21.753 4.898 1.00 0.00 ? 9 GLU A CD 14 ATOM 19915 O OE1 . GLU A 1 9 ? -5.933 22.808 4.233 1.00 0.00 ? 9 GLU A OE1 14 ATOM 19916 O OE2 . GLU A 1 9 ? -5.391 21.584 5.976 1.00 0.00 ? 9 GLU A OE2 14 ATOM 19917 H H . GLU A 1 9 ? -4.646 21.544 2.322 1.00 0.00 ? 9 GLU A H 14 ATOM 19918 H HA . GLU A 1 9 ? -5.723 18.909 2.685 1.00 0.00 ? 9 GLU A HA 14 ATOM 19919 H HB2 . GLU A 1 9 ? -6.935 21.658 2.521 1.00 0.00 ? 9 GLU A HB2 14 ATOM 19920 H HB3 . GLU A 1 9 ? -7.939 20.216 2.590 1.00 0.00 ? 9 GLU A HB3 14 ATOM 19921 H HG2 . GLU A 1 9 ? -7.848 20.714 4.799 1.00 0.00 ? 9 GLU A HG2 14 ATOM 19922 H HG3 . GLU A 1 9 ? -6.424 19.683 4.680 1.00 0.00 ? 9 GLU A HG3 14 ATOM 19923 N N . GLY A 1 10 ? -6.067 18.272 0.304 1.00 0.00 ? 10 GLY A N 14 ATOM 19924 C CA . GLY A 1 10 ? -6.434 17.858 -1.038 1.00 0.00 ? 10 GLY A CA 14 ATOM 19925 C C . GLY A 1 10 ? -5.685 16.619 -1.487 1.00 0.00 ? 10 GLY A C 14 ATOM 19926 O O . GLY A 1 10 ? -6.258 15.538 -1.626 1.00 0.00 ? 10 GLY A O 14 ATOM 19927 H H . GLY A 1 10 ? -5.633 17.636 0.910 1.00 0.00 ? 10 GLY A H 14 ATOM 19928 H HA2 . GLY A 1 10 ? -7.494 17.654 -1.062 1.00 0.00 ? 10 GLY A HA2 14 ATOM 19929 H HA3 . GLY A 1 10 ? -6.217 18.664 -1.723 1.00 0.00 ? 10 GLY A HA3 14 ATOM 19930 N N . PRO A 1 11 ? -4.374 16.769 -1.724 1.00 0.00 ? 11 PRO A N 14 ATOM 19931 C CA . PRO A 1 11 ? -3.518 15.664 -2.165 1.00 0.00 ? 11 PRO A CA 14 ATOM 19932 C C . PRO A 1 11 ? -3.301 14.625 -1.069 1.00 0.00 ? 11 PRO A C 14 ATOM 19933 O O . PRO A 1 11 ? -3.038 13.455 -1.351 1.00 0.00 ? 11 PRO A O 14 ATOM 19934 C CB . PRO A 1 11 ? -2.198 16.355 -2.515 1.00 0.00 ? 11 PRO A CB 14 ATOM 19935 C CG . PRO A 1 11 ? -2.190 17.596 -1.690 1.00 0.00 ? 11 PRO A CG 14 ATOM 19936 C CD . PRO A 1 11 ? -3.625 18.029 -1.579 1.00 0.00 ? 11 PRO A CD 14 ATOM 19937 H HA . PRO A 1 11 ? -3.916 15.179 -3.044 1.00 0.00 ? 11 PRO A HA 14 ATOM 19938 H HB2 . PRO A 1 11 ? -1.371 15.707 -2.263 1.00 0.00 ? 11 PRO A HB2 14 ATOM 19939 H HB3 . PRO A 1 11 ? -2.175 16.583 -3.570 1.00 0.00 ? 11 PRO A HB3 14 ATOM 19940 H HG2 . PRO A 1 11 ? -1.785 17.384 -0.712 1.00 0.00 ? 11 PRO A HG2 14 ATOM 19941 H HG3 . PRO A 1 11 ? -1.605 18.359 -2.182 1.00 0.00 ? 11 PRO A HG3 14 ATOM 19942 H HD2 . PRO A 1 11 ? -3.811 18.478 -0.615 1.00 0.00 ? 11 PRO A HD2 14 ATOM 19943 H HD3 . PRO A 1 11 ? -3.874 18.717 -2.373 1.00 0.00 ? 11 PRO A HD3 14 ATOM 19944 N N . LEU A 1 12 ? -3.412 15.060 0.181 1.00 0.00 ? 12 LEU A N 14 ATOM 19945 C CA . LEU A 1 12 ? -3.229 14.167 1.320 1.00 0.00 ? 12 LEU A CA 14 ATOM 19946 C C . LEU A 1 12 ? -4.371 13.160 1.413 1.00 0.00 ? 12 LEU A C 14 ATOM 19947 O O . LEU A 1 12 ? -4.145 11.969 1.620 1.00 0.00 ? 12 LEU A O 14 ATOM 19948 C CB . LEU A 1 12 ? -3.139 14.974 2.617 1.00 0.00 ? 12 LEU A CB 14 ATOM 19949 C CG . LEU A 1 12 ? -1.811 15.687 2.874 1.00 0.00 ? 12 LEU A CG 14 ATOM 19950 C CD1 . LEU A 1 12 ? -1.970 16.738 3.961 1.00 0.00 ? 12 LEU A CD1 14 ATOM 19951 C CD2 . LEU A 1 12 ? -0.732 14.683 3.254 1.00 0.00 ? 12 LEU A CD2 14 ATOM 19952 H H . LEU A 1 12 ? -3.623 16.003 0.343 1.00 0.00 ? 12 LEU A H 14 ATOM 19953 H HA . LEU A 1 12 ? -2.303 13.631 1.175 1.00 0.00 ? 12 LEU A HA 14 ATOM 19954 H HB2 . LEU A 1 12 ? -3.916 15.723 2.594 1.00 0.00 ? 12 LEU A HB2 14 ATOM 19955 H HB3 . LEU A 1 12 ? -3.317 14.297 3.440 1.00 0.00 ? 12 LEU A HB3 14 ATOM 19956 H HG . LEU A 1 12 ? -1.498 16.188 1.968 1.00 0.00 ? 12 LEU A HG 14 ATOM 19957 H HD11 . LEU A 1 12 ? -1.930 16.263 4.929 1.00 0.00 ? 12 LEU A HD11 14 ATOM 19958 H HD12 . LEU A 1 12 ? -2.921 17.236 3.843 1.00 0.00 ? 12 LEU A HD12 14 ATOM 19959 H HD13 . LEU A 1 12 ? -1.173 17.463 3.880 1.00 0.00 ? 12 LEU A HD13 14 ATOM 19960 H HD21 . LEU A 1 12 ? -0.073 14.527 2.413 1.00 0.00 ? 12 LEU A HD21 14 ATOM 19961 H HD22 . LEU A 1 12 ? -1.194 13.745 3.528 1.00 0.00 ? 12 LEU A HD22 14 ATOM 19962 H HD23 . LEU A 1 12 ? -0.166 15.063 4.091 1.00 0.00 ? 12 LEU A HD23 14 ATOM 19963 N N . ASN A 1 13 ? -5.597 13.648 1.255 1.00 0.00 ? 13 ASN A N 14 ATOM 19964 C CA . ASN A 1 13 ? -6.775 12.790 1.319 1.00 0.00 ? 13 ASN A CA 14 ATOM 19965 C C . ASN A 1 13 ? -6.857 11.888 0.091 1.00 0.00 ? 13 ASN A C 14 ATOM 19966 O O . ASN A 1 13 ? -7.331 10.753 0.172 1.00 0.00 ? 13 ASN A O 14 ATOM 19967 C CB . ASN A 1 13 ? -8.043 13.638 1.429 1.00 0.00 ? 13 ASN A CB 14 ATOM 19968 C CG . ASN A 1 13 ? -9.280 12.798 1.682 1.00 0.00 ? 13 ASN A CG 14 ATOM 19969 O OD1 . ASN A 1 13 ? -9.477 11.757 1.054 1.00 0.00 ? 13 ASN A OD1 14 ATOM 19970 N ND2 . ASN A 1 13 ? -10.121 13.247 2.606 1.00 0.00 ? 13 ASN A ND2 14 ATOM 19971 H H . ASN A 1 13 ? -5.713 14.607 1.092 1.00 0.00 ? 13 ASN A H 14 ATOM 19972 H HA . ASN A 1 13 ? -6.687 12.173 2.200 1.00 0.00 ? 13 ASN A HA 14 ATOM 19973 H HB2 . ASN A 1 13 ? -7.933 14.336 2.246 1.00 0.00 ? 13 ASN A HB2 14 ATOM 19974 H HB3 . ASN A 1 13 ? -8.184 14.186 0.509 1.00 0.00 ? 13 ASN A HB3 14 ATOM 19975 H HD21 . ASN A 1 13 ? -9.900 14.084 3.066 1.00 0.00 ? 13 ASN A HD21 14 ATOM 19976 H HD22 . ASN A 1 13 ? -10.929 12.723 2.790 1.00 0.00 ? 13 ASN A HD22 14 ATOM 19977 N N . LEU A 1 14 ? -6.393 12.398 -1.044 1.00 0.00 ? 14 LEU A N 14 ATOM 19978 C CA . LEU A 1 14 ? -6.414 11.639 -2.289 1.00 0.00 ? 14 LEU A CA 14 ATOM 19979 C C . LEU A 1 14 ? -5.650 10.327 -2.140 1.00 0.00 ? 14 LEU A C 14 ATOM 19980 O O . LEU A 1 14 ? -6.108 9.276 -2.588 1.00 0.00 ? 14 LEU A O 14 ATOM 19981 C CB . LEU A 1 14 ? -5.810 12.467 -3.425 1.00 0.00 ? 14 LEU A CB 14 ATOM 19982 C CG . LEU A 1 14 ? -6.784 13.354 -4.200 1.00 0.00 ? 14 LEU A CG 14 ATOM 19983 C CD1 . LEU A 1 14 ? -6.030 14.407 -4.996 1.00 0.00 ? 14 LEU A CD1 14 ATOM 19984 C CD2 . LEU A 1 14 ? -7.656 12.511 -5.120 1.00 0.00 ? 14 LEU A CD2 14 ATOM 19985 H H . LEU A 1 14 ? -6.028 13.307 -1.046 1.00 0.00 ? 14 LEU A H 14 ATOM 19986 H HA . LEU A 1 14 ? -7.444 11.417 -2.525 1.00 0.00 ? 14 LEU A HA 14 ATOM 19987 H HB2 . LEU A 1 14 ? -5.049 13.104 -3.001 1.00 0.00 ? 14 LEU A HB2 14 ATOM 19988 H HB3 . LEU A 1 14 ? -5.354 11.782 -4.126 1.00 0.00 ? 14 LEU A HB3 14 ATOM 19989 H HG . LEU A 1 14 ? -7.431 13.865 -3.500 1.00 0.00 ? 14 LEU A HG 14 ATOM 19990 H HD11 . LEU A 1 14 ? -5.351 13.923 -5.681 1.00 0.00 ? 14 LEU A HD11 14 ATOM 19991 H HD12 . LEU A 1 14 ? -5.470 15.037 -4.320 1.00 0.00 ? 14 LEU A HD12 14 ATOM 19992 H HD13 . LEU A 1 14 ? -6.733 15.011 -5.551 1.00 0.00 ? 14 LEU A HD13 14 ATOM 19993 H HD21 . LEU A 1 14 ? -8.115 13.147 -5.863 1.00 0.00 ? 14 LEU A HD21 14 ATOM 19994 H HD22 . LEU A 1 14 ? -8.427 12.025 -4.539 1.00 0.00 ? 14 LEU A HD22 14 ATOM 19995 H HD23 . LEU A 1 14 ? -7.048 11.766 -5.609 1.00 0.00 ? 14 LEU A HD23 14 ATOM 19996 N N . ALA A 1 15 ? -4.485 10.396 -1.504 1.00 0.00 ? 15 ALA A N 14 ATOM 19997 C CA . ALA A 1 15 ? -3.660 9.213 -1.292 1.00 0.00 ? 15 ALA A CA 14 ATOM 19998 C C . ALA A 1 15 ? -4.291 8.281 -0.263 1.00 0.00 ? 15 ALA A C 14 ATOM 19999 O O . ALA A 1 15 ? -4.056 7.073 -0.278 1.00 0.00 ? 15 ALA A O 14 ATOM 20000 C CB . ALA A 1 15 ? -2.261 9.618 -0.852 1.00 0.00 ? 15 ALA A CB 14 ATOM 20001 H H . ALA A 1 15 ? -4.173 11.262 -1.170 1.00 0.00 ? 15 ALA A H 14 ATOM 20002 H HA . ALA A 1 15 ? -3.577 8.690 -2.233 1.00 0.00 ? 15 ALA A HA 14 ATOM 20003 H HB1 . ALA A 1 15 ? -2.044 9.174 0.109 1.00 0.00 ? 15 ALA A HB1 14 ATOM 20004 H HB2 . ALA A 1 15 ? -1.541 9.272 -1.579 1.00 0.00 ? 15 ALA A HB2 14 ATOM 20005 H HB3 . ALA A 1 15 ? -2.206 10.693 -0.772 1.00 0.00 ? 15 ALA A HB3 14 ATOM 20006 N N . HIS A 1 16 ? -5.093 8.851 0.631 1.00 0.00 ? 16 HIS A N 14 ATOM 20007 C CA . HIS A 1 16 ? -5.758 8.070 1.669 1.00 0.00 ? 16 HIS A CA 14 ATOM 20008 C C . HIS A 1 16 ? -6.833 7.171 1.066 1.00 0.00 ? 16 HIS A C 14 ATOM 20009 O O . HIS A 1 16 ? -6.952 6.001 1.430 1.00 0.00 ? 16 HIS A O 14 ATOM 20010 C CB . HIS A 1 16 ? -6.380 8.997 2.714 1.00 0.00 ? 16 HIS A CB 14 ATOM 20011 C CG . HIS A 1 16 ? -5.375 9.828 3.450 1.00 0.00 ? 16 HIS A CG 14 ATOM 20012 N ND1 . HIS A 1 16 ? -5.714 10.691 4.471 1.00 0.00 ? 16 HIS A ND1 14 ATOM 20013 C CD2 . HIS A 1 16 ? -4.032 9.924 3.310 1.00 0.00 ? 16 HIS A CD2 14 ATOM 20014 C CE1 . HIS A 1 16 ? -4.624 11.283 4.925 1.00 0.00 ? 16 HIS A CE1 14 ATOM 20015 N NE2 . HIS A 1 16 ? -3.589 10.835 4.238 1.00 0.00 ? 16 HIS A NE2 14 ATOM 20016 H H . HIS A 1 16 ? -5.241 9.818 0.592 1.00 0.00 ? 16 HIS A H 14 ATOM 20017 H HA . HIS A 1 16 ? -5.015 7.451 2.146 1.00 0.00 ? 16 HIS A HA 14 ATOM 20018 H HB2 . HIS A 1 16 ? -7.071 9.668 2.226 1.00 0.00 ? 16 HIS A HB2 14 ATOM 20019 H HB3 . HIS A 1 16 ? -6.915 8.402 3.440 1.00 0.00 ? 16 HIS A HB3 14 ATOM 20020 H HD1 . HIS A 1 16 ? -6.620 10.847 4.810 1.00 0.00 ? 16 HIS A HD1 14 ATOM 20021 H HD2 . HIS A 1 16 ? -3.421 9.385 2.599 1.00 0.00 ? 16 HIS A HD2 14 ATOM 20022 H HE1 . HIS A 1 16 ? -4.585 12.009 5.723 1.00 0.00 ? 16 HIS A HE1 14 ATOM 20023 H HE2 . HIS A 1 16 ? -2.673 11.172 4.313 1.00 0.00 ? 16 HIS A HE2 14 ATOM 20024 N N . GLN A 1 17 ? -7.613 7.725 0.144 1.00 0.00 ? 17 GLN A N 14 ATOM 20025 C CA . GLN A 1 17 ? -8.679 6.972 -0.508 1.00 0.00 ? 17 GLN A CA 14 ATOM 20026 C C . GLN A 1 17 ? -8.201 5.577 -0.896 1.00 0.00 ? 17 GLN A C 14 ATOM 20027 O O . GLN A 1 17 ? -8.697 4.576 -0.379 1.00 0.00 ? 17 GLN A O 14 ATOM 20028 C CB . GLN A 1 17 ? -9.174 7.718 -1.748 1.00 0.00 ? 17 GLN A CB 14 ATOM 20029 C CG . GLN A 1 17 ? -9.743 9.095 -1.444 1.00 0.00 ? 17 GLN A CG 14 ATOM 20030 C CD . GLN A 1 17 ? -10.334 9.765 -2.668 1.00 0.00 ? 17 GLN A CD 14 ATOM 20031 O OE1 . GLN A 1 17 ? -11.075 9.146 -3.432 1.00 0.00 ? 17 GLN A OE1 14 ATOM 20032 N NE2 . GLN A 1 17 ? -10.010 11.039 -2.860 1.00 0.00 ? 17 GLN A NE2 14 ATOM 20033 H H . GLN A 1 17 ? -7.469 8.661 -0.104 1.00 0.00 ? 17 GLN A H 14 ATOM 20034 H HA . GLN A 1 17 ? -9.494 6.878 0.194 1.00 0.00 ? 17 GLN A HA 14 ATOM 20035 H HB2 . GLN A 1 17 ? -8.350 7.836 -2.435 1.00 0.00 ? 17 GLN A HB2 14 ATOM 20036 H HB3 . GLN A 1 17 ? -9.947 7.131 -2.222 1.00 0.00 ? 17 GLN A HB3 14 ATOM 20037 H HG2 . GLN A 1 17 ? -10.518 8.994 -0.698 1.00 0.00 ? 17 GLN A HG2 14 ATOM 20038 H HG3 . GLN A 1 17 ? -8.951 9.719 -1.056 1.00 0.00 ? 17 GLN A HG3 14 ATOM 20039 H HE21 . GLN A 1 17 ? -9.413 11.467 -2.211 1.00 0.00 ? 17 GLN A HE21 14 ATOM 20040 H HE22 . GLN A 1 17 ? -10.377 11.496 -3.644 1.00 0.00 ? 17 GLN A HE22 14 ATOM 20041 N N . GLN A 1 18 ? -7.237 5.520 -1.808 1.00 0.00 ? 18 GLN A N 14 ATOM 20042 C CA . GLN A 1 18 ? -6.693 4.246 -2.266 1.00 0.00 ? 18 GLN A CA 14 ATOM 20043 C C . GLN A 1 18 ? -5.993 3.513 -1.127 1.00 0.00 ? 18 GLN A C 14 ATOM 20044 O O . GLN A 1 18 ? -6.014 2.284 -1.061 1.00 0.00 ? 18 GLN A O 14 ATOM 20045 C CB . GLN A 1 18 ? -5.717 4.470 -3.421 1.00 0.00 ? 18 GLN A CB 14 ATOM 20046 C CG . GLN A 1 18 ? -4.351 4.968 -2.976 1.00 0.00 ? 18 GLN A CG 14 ATOM 20047 C CD . GLN A 1 18 ? -3.402 5.187 -4.138 1.00 0.00 ? 18 GLN A CD 14 ATOM 20048 O OE1 . GLN A 1 18 ? -2.812 6.258 -4.279 1.00 0.00 ? 18 GLN A OE1 14 ATOM 20049 N NE2 . GLN A 1 18 ? -3.250 4.170 -4.978 1.00 0.00 ? 18 GLN A NE2 14 ATOM 20050 H H . GLN A 1 18 ? -6.883 6.352 -2.182 1.00 0.00 ? 18 GLN A H 14 ATOM 20051 H HA . GLN A 1 18 ? -7.516 3.641 -2.614 1.00 0.00 ? 18 GLN A HA 14 ATOM 20052 H HB2 . GLN A 1 18 ? -5.582 3.538 -3.949 1.00 0.00 ? 18 GLN A HB2 14 ATOM 20053 H HB3 . GLN A 1 18 ? -6.139 5.199 -4.097 1.00 0.00 ? 18 GLN A HB3 14 ATOM 20054 H HG2 . GLN A 1 18 ? -4.476 5.904 -2.453 1.00 0.00 ? 18 GLN A HG2 14 ATOM 20055 H HG3 . GLN A 1 18 ? -3.917 4.238 -2.308 1.00 0.00 ? 18 GLN A HG3 14 ATOM 20056 H HE21 . GLN A 1 18 ? -3.754 3.346 -4.804 1.00 0.00 ? 18 GLN A HE21 14 ATOM 20057 H HE22 . GLN A 1 18 ? -2.644 4.284 -5.738 1.00 0.00 ? 18 GLN A HE22 14 ATOM 20058 N N . SER A 1 19 ? -5.372 4.275 -0.232 1.00 0.00 ? 19 SER A N 14 ATOM 20059 C CA . SER A 1 19 ? -4.661 3.697 0.902 1.00 0.00 ? 19 SER A CA 14 ATOM 20060 C C . SER A 1 19 ? -5.589 2.818 1.735 1.00 0.00 ? 19 SER A C 14 ATOM 20061 O O . SER A 1 19 ? -5.197 1.747 2.199 1.00 0.00 ? 19 SER A O 14 ATOM 20062 C CB . SER A 1 19 ? -4.067 4.803 1.776 1.00 0.00 ? 19 SER A CB 14 ATOM 20063 O OG . SER A 1 19 ? -3.245 4.262 2.796 1.00 0.00 ? 19 SER A OG 14 ATOM 20064 H H . SER A 1 19 ? -5.391 5.249 -0.339 1.00 0.00 ? 19 SER A H 14 ATOM 20065 H HA . SER A 1 19 ? -3.859 3.087 0.515 1.00 0.00 ? 19 SER A HA 14 ATOM 20066 H HB2 . SER A 1 19 ? -3.472 5.463 1.163 1.00 0.00 ? 19 SER A HB2 14 ATOM 20067 H HB3 . SER A 1 19 ? -4.868 5.364 2.236 1.00 0.00 ? 19 SER A HB3 14 ATOM 20068 H HG . SER A 1 19 ? -2.540 4.880 3.001 1.00 0.00 ? 19 SER A HG 14 ATOM 20069 N N . ARG A 1 20 ? -6.821 3.280 1.920 1.00 0.00 ? 20 ARG A N 14 ATOM 20070 C CA . ARG A 1 20 ? -7.806 2.537 2.698 1.00 0.00 ? 20 ARG A CA 14 ATOM 20071 C C . ARG A 1 20 ? -8.113 1.193 2.045 1.00 0.00 ? 20 ARG A C 14 ATOM 20072 O O . ARG A 1 20 ? -8.610 0.274 2.697 1.00 0.00 ? 20 ARG A O 14 ATOM 20073 C CB . ARG A 1 20 ? -9.093 3.352 2.842 1.00 0.00 ? 20 ARG A CB 14 ATOM 20074 C CG . ARG A 1 20 ? -9.016 4.429 3.911 1.00 0.00 ? 20 ARG A CG 14 ATOM 20075 C CD . ARG A 1 20 ? -9.188 3.845 5.304 1.00 0.00 ? 20 ARG A CD 14 ATOM 20076 N NE . ARG A 1 20 ? -9.741 4.818 6.242 1.00 0.00 ? 20 ARG A NE 14 ATOM 20077 C CZ . ARG A 1 20 ? -9.003 5.701 6.905 1.00 0.00 ? 20 ARG A CZ 14 ATOM 20078 N NH1 . ARG A 1 20 ? -7.689 5.734 6.734 1.00 0.00 ? 20 ARG A NH1 14 ATOM 20079 N NH2 . ARG A 1 20 ? -9.581 6.555 7.741 1.00 0.00 ? 20 ARG A NH2 14 ATOM 20080 H H . ARG A 1 20 ? -7.075 4.140 1.525 1.00 0.00 ? 20 ARG A H 14 ATOM 20081 H HA . ARG A 1 20 ? -7.391 2.362 3.679 1.00 0.00 ? 20 ARG A HA 14 ATOM 20082 H HB2 . ARG A 1 20 ? -9.311 3.829 1.897 1.00 0.00 ? 20 ARG A HB2 14 ATOM 20083 H HB3 . ARG A 1 20 ? -9.902 2.683 3.093 1.00 0.00 ? 20 ARG A HB3 14 ATOM 20084 H HG2 . ARG A 1 20 ? -8.052 4.913 3.852 1.00 0.00 ? 20 ARG A HG2 14 ATOM 20085 H HG3 . ARG A 1 20 ? -9.796 5.154 3.735 1.00 0.00 ? 20 ARG A HG3 14 ATOM 20086 H HD2 . ARG A 1 20 ? -9.854 2.997 5.245 1.00 0.00 ? 20 ARG A HD2 14 ATOM 20087 H HD3 . ARG A 1 20 ? -8.223 3.519 5.665 1.00 0.00 ? 20 ARG A HD3 14 ATOM 20088 H HE . ARG A 1 20 ? -10.710 4.812 6.383 1.00 0.00 ? 20 ARG A HE 14 ATOM 20089 H HH11 . ARG A 1 20 ? -7.252 5.092 6.104 1.00 0.00 ? 20 ARG A HH11 14 ATOM 20090 H HH12 . ARG A 1 20 ? -7.136 6.401 7.234 1.00 0.00 ? 20 ARG A HH12 14 ATOM 20091 H HH21 . ARG A 1 20 ? -10.571 6.534 7.872 1.00 0.00 ? 20 ARG A HH21 14 ATOM 20092 H HH22 . ARG A 1 20 ? -9.025 7.219 8.240 1.00 0.00 ? 20 ARG A HH22 14 ATOM 20093 N N . ARG A 1 21 ? -7.814 1.085 0.755 1.00 0.00 ? 21 ARG A N 14 ATOM 20094 C CA . ARG A 1 21 ? -8.060 -0.146 0.013 1.00 0.00 ? 21 ARG A CA 14 ATOM 20095 C C . ARG A 1 21 ? -6.873 -1.098 0.132 1.00 0.00 ? 21 ARG A C 14 ATOM 20096 O O . ARG A 1 21 ? -7.045 -2.295 0.359 1.00 0.00 ? 21 ARG A O 14 ATOM 20097 C CB . ARG A 1 21 ? -8.332 0.166 -1.459 1.00 0.00 ? 21 ARG A CB 14 ATOM 20098 C CG . ARG A 1 21 ? -8.283 -1.058 -2.360 1.00 0.00 ? 21 ARG A CG 14 ATOM 20099 C CD . ARG A 1 21 ? -7.809 -0.700 -3.760 1.00 0.00 ? 21 ARG A CD 14 ATOM 20100 N NE . ARG A 1 21 ? -8.924 -0.407 -4.657 1.00 0.00 ? 21 ARG A NE 14 ATOM 20101 C CZ . ARG A 1 21 ? -8.775 0.128 -5.864 1.00 0.00 ? 21 ARG A CZ 14 ATOM 20102 N NH1 . ARG A 1 21 ? -7.565 0.426 -6.316 1.00 0.00 ? 21 ARG A NH1 14 ATOM 20103 N NH2 . ARG A 1 21 ? -9.838 0.364 -6.622 1.00 0.00 ? 21 ARG A NH2 14 ATOM 20104 H H . ARG A 1 21 ? -7.420 1.852 0.289 1.00 0.00 ? 21 ARG A H 14 ATOM 20105 H HA . ARG A 1 21 ? -8.931 -0.621 0.439 1.00 0.00 ? 21 ARG A HA 14 ATOM 20106 H HB2 . ARG A 1 21 ? -9.312 0.610 -1.546 1.00 0.00 ? 21 ARG A HB2 14 ATOM 20107 H HB3 . ARG A 1 21 ? -7.593 0.872 -1.807 1.00 0.00 ? 21 ARG A HB3 14 ATOM 20108 H HG2 . ARG A 1 21 ? -7.601 -1.779 -1.935 1.00 0.00 ? 21 ARG A HG2 14 ATOM 20109 H HG3 . ARG A 1 21 ? -9.272 -1.486 -2.422 1.00 0.00 ? 21 ARG A HG3 14 ATOM 20110 H HD2 . ARG A 1 21 ? -7.171 0.169 -3.699 1.00 0.00 ? 21 ARG A HD2 14 ATOM 20111 H HD3 . ARG A 1 21 ? -7.247 -1.531 -4.158 1.00 0.00 ? 21 ARG A HD3 14 ATOM 20112 H HE . ARG A 1 21 ? -9.827 -0.620 -4.343 1.00 0.00 ? 21 ARG A HE 14 ATOM 20113 H HH11 . ARG A 1 21 ? -6.762 0.248 -5.747 1.00 0.00 ? 21 ARG A HH11 14 ATOM 20114 H HH12 . ARG A 1 21 ? -7.455 0.828 -7.225 1.00 0.00 ? 21 ARG A HH12 14 ATOM 20115 H HH21 . ARG A 1 21 ? -10.752 0.140 -6.285 1.00 0.00 ? 21 ARG A HH21 14 ATOM 20116 H HH22 . ARG A 1 21 ? -9.725 0.767 -7.529 1.00 0.00 ? 21 ARG A HH22 14 ATOM 20117 N N . ALA A 1 22 ? -5.669 -0.556 -0.024 1.00 0.00 ? 22 ALA A N 14 ATOM 20118 C CA . ALA A 1 22 ? -4.454 -1.357 0.067 1.00 0.00 ? 22 ALA A CA 14 ATOM 20119 C C . ALA A 1 22 ? -4.453 -2.211 1.330 1.00 0.00 ? 22 ALA A C 14 ATOM 20120 O O . ALA A 1 22 ? -4.080 -3.384 1.297 1.00 0.00 ? 22 ALA A O 14 ATOM 20121 C CB . ALA A 1 22 ? -3.227 -0.458 0.035 1.00 0.00 ? 22 ALA A CB 14 ATOM 20122 H H . ALA A 1 22 ? -5.596 0.404 -0.202 1.00 0.00 ? 22 ALA A H 14 ATOM 20123 H HA . ALA A 1 22 ? -4.417 -2.007 -0.795 1.00 0.00 ? 22 ALA A HA 14 ATOM 20124 H HB1 . ALA A 1 22 ? -2.867 -0.306 1.042 1.00 0.00 ? 22 ALA A HB1 14 ATOM 20125 H HB2 . ALA A 1 22 ? -2.454 -0.926 -0.557 1.00 0.00 ? 22 ALA A HB2 14 ATOM 20126 H HB3 . ALA A 1 22 ? -3.489 0.494 -0.402 1.00 0.00 ? 22 ALA A HB3 14 ATOM 20127 N N . ASP A 1 23 ? -4.872 -1.617 2.442 1.00 0.00 ? 23 ASP A N 14 ATOM 20128 C CA . ASP A 1 23 ? -4.919 -2.324 3.716 1.00 0.00 ? 23 ASP A CA 14 ATOM 20129 C C . ASP A 1 23 ? -5.867 -3.516 3.641 1.00 0.00 ? 23 ASP A C 14 ATOM 20130 O O . ASP A 1 23 ? -5.457 -4.662 3.829 1.00 0.00 ? 23 ASP A O 14 ATOM 20131 C CB . ASP A 1 23 ? -5.359 -1.377 4.834 1.00 0.00 ? 23 ASP A CB 14 ATOM 20132 C CG . ASP A 1 23 ? -5.064 -1.932 6.213 1.00 0.00 ? 23 ASP A CG 14 ATOM 20133 O OD1 . ASP A 1 23 ? -5.719 -2.920 6.607 1.00 0.00 ? 23 ASP A OD1 14 ATOM 20134 O OD2 . ASP A 1 23 ? -4.180 -1.378 6.900 1.00 0.00 ? 23 ASP A OD2 14 ATOM 20135 H H . ASP A 1 23 ? -5.156 -0.679 2.404 1.00 0.00 ? 23 ASP A H 14 ATOM 20136 H HA . ASP A 1 23 ? -3.925 -2.684 3.933 1.00 0.00 ? 23 ASP A HA 14 ATOM 20137 H HB2 . ASP A 1 23 ? -4.838 -0.436 4.726 1.00 0.00 ? 23 ASP A HB2 14 ATOM 20138 H HB3 . ASP A 1 23 ? -6.423 -1.205 4.753 1.00 0.00 ? 23 ASP A HB3 14 ATOM 20139 N N . ARG A 1 24 ? -7.138 -3.239 3.365 1.00 0.00 ? 24 ARG A N 14 ATOM 20140 C CA . ARG A 1 24 ? -8.145 -4.289 3.267 1.00 0.00 ? 24 ARG A CA 14 ATOM 20141 C C . ARG A 1 24 ? -7.649 -5.438 2.395 1.00 0.00 ? 24 ARG A C 14 ATOM 20142 O O . ARG A 1 24 ? -8.030 -6.593 2.594 1.00 0.00 ? 24 ARG A O 14 ATOM 20143 C CB . ARG A 1 24 ? -9.446 -3.725 2.695 1.00 0.00 ? 24 ARG A CB 14 ATOM 20144 C CG . ARG A 1 24 ? -10.112 -2.696 3.595 1.00 0.00 ? 24 ARG A CG 14 ATOM 20145 C CD . ARG A 1 24 ? -10.806 -3.355 4.776 1.00 0.00 ? 24 ARG A CD 14 ATOM 20146 N NE . ARG A 1 24 ? -11.918 -4.203 4.354 1.00 0.00 ? 24 ARG A NE 14 ATOM 20147 C CZ . ARG A 1 24 ? -13.119 -3.735 4.033 1.00 0.00 ? 24 ARG A CZ 14 ATOM 20148 N NH1 . ARG A 1 24 ? -13.362 -2.433 4.085 1.00 0.00 ? 24 ARG A NH1 14 ATOM 20149 N NH2 . ARG A 1 24 ? -14.079 -4.570 3.658 1.00 0.00 ? 24 ARG A NH2 14 ATOM 20150 H H . ARG A 1 24 ? -7.405 -2.307 3.225 1.00 0.00 ? 24 ARG A H 14 ATOM 20151 H HA . ARG A 1 24 ? -8.332 -4.663 4.263 1.00 0.00 ? 24 ARG A HA 14 ATOM 20152 H HB2 . ARG A 1 24 ? -9.235 -3.256 1.745 1.00 0.00 ? 24 ARG A HB2 14 ATOM 20153 H HB3 . ARG A 1 24 ? -10.140 -4.538 2.540 1.00 0.00 ? 24 ARG A HB3 14 ATOM 20154 H HG2 . ARG A 1 24 ? -9.359 -2.017 3.967 1.00 0.00 ? 24 ARG A HG2 14 ATOM 20155 H HG3 . ARG A 1 24 ? -10.842 -2.147 3.019 1.00 0.00 ? 24 ARG A HG3 14 ATOM 20156 H HD2 . ARG A 1 24 ? -10.087 -3.960 5.308 1.00 0.00 ? 24 ARG A HD2 14 ATOM 20157 H HD3 . ARG A 1 24 ? -11.182 -2.584 5.431 1.00 0.00 ? 24 ARG A HD3 14 ATOM 20158 H HE . ARG A 1 24 ? -11.760 -5.169 4.309 1.00 0.00 ? 24 ARG A HE 14 ATOM 20159 H HH11 . ARG A 1 24 ? -12.639 -1.801 4.366 1.00 0.00 ? 24 ARG A HH11 14 ATOM 20160 H HH12 . ARG A 1 24 ? -14.267 -2.083 3.842 1.00 0.00 ? 24 ARG A HH12 14 ATOM 20161 H HH21 . ARG A 1 24 ? -13.899 -5.553 3.618 1.00 0.00 ? 24 ARG A HH21 14 ATOM 20162 H HH22 . ARG A 1 24 ? -14.982 -4.217 3.417 1.00 0.00 ? 24 ARG A HH22 14 ATOM 20163 N N . LEU A 1 25 ? -6.799 -5.115 1.427 1.00 0.00 ? 25 LEU A N 14 ATOM 20164 C CA . LEU A 1 25 ? -6.251 -6.120 0.522 1.00 0.00 ? 25 LEU A CA 14 ATOM 20165 C C . LEU A 1 25 ? -5.188 -6.961 1.223 1.00 0.00 ? 25 LEU A C 14 ATOM 20166 O O . LEU A 1 25 ? -5.162 -8.185 1.087 1.00 0.00 ? 25 LEU A O 14 ATOM 20167 C CB . LEU A 1 25 ? -5.652 -5.449 -0.715 1.00 0.00 ? 25 LEU A CB 14 ATOM 20168 C CG . LEU A 1 25 ? -6.653 -4.939 -1.753 1.00 0.00 ? 25 LEU A CG 14 ATOM 20169 C CD1 . LEU A 1 25 ? -5.996 -3.922 -2.673 1.00 0.00 ? 25 LEU A CD1 14 ATOM 20170 C CD2 . LEU A 1 25 ? -7.225 -6.097 -2.556 1.00 0.00 ? 25 LEU A CD2 14 ATOM 20171 H H . LEU A 1 25 ? -6.533 -4.179 1.316 1.00 0.00 ? 25 LEU A H 14 ATOM 20172 H HA . LEU A 1 25 ? -7.060 -6.766 0.215 1.00 0.00 ? 25 LEU A HA 14 ATOM 20173 H HB2 . LEU A 1 25 ? -5.063 -4.608 -0.383 1.00 0.00 ? 25 LEU A HB2 14 ATOM 20174 H HB3 . LEU A 1 25 ? -5.008 -6.168 -1.201 1.00 0.00 ? 25 LEU A HB3 14 ATOM 20175 H HG . LEU A 1 25 ? -7.471 -4.448 -1.243 1.00 0.00 ? 25 LEU A HG 14 ATOM 20176 H HD11 . LEU A 1 25 ? -5.836 -3.000 -2.135 1.00 0.00 ? 25 LEU A HD11 14 ATOM 20177 H HD12 . LEU A 1 25 ? -6.638 -3.737 -3.522 1.00 0.00 ? 25 LEU A HD12 14 ATOM 20178 H HD13 . LEU A 1 25 ? -5.048 -4.308 -3.018 1.00 0.00 ? 25 LEU A HD13 14 ATOM 20179 H HD21 . LEU A 1 25 ? -7.073 -7.020 -2.015 1.00 0.00 ? 25 LEU A HD21 14 ATOM 20180 H HD22 . LEU A 1 25 ? -6.725 -6.154 -3.512 1.00 0.00 ? 25 LEU A HD22 14 ATOM 20181 H HD23 . LEU A 1 25 ? -8.282 -5.940 -2.711 1.00 0.00 ? 25 LEU A HD23 14 ATOM 20182 N N . LEU A 1 26 ? -4.316 -6.298 1.973 1.00 0.00 ? 26 LEU A N 14 ATOM 20183 C CA . LEU A 1 26 ? -3.252 -6.985 2.698 1.00 0.00 ? 26 LEU A CA 14 ATOM 20184 C C . LEU A 1 26 ? -3.825 -8.055 3.620 1.00 0.00 ? 26 LEU A C 14 ATOM 20185 O O . LEU A 1 26 ? -3.224 -9.112 3.810 1.00 0.00 ? 26 LEU A O 14 ATOM 20186 C CB . LEU A 1 26 ? -2.431 -5.981 3.510 1.00 0.00 ? 26 LEU A CB 14 ATOM 20187 C CG . LEU A 1 26 ? -1.730 -6.536 4.750 1.00 0.00 ? 26 LEU A CG 14 ATOM 20188 C CD1 . LEU A 1 26 ? -0.666 -7.547 4.355 1.00 0.00 ? 26 LEU A CD1 14 ATOM 20189 C CD2 . LEU A 1 26 ? -1.119 -5.407 5.567 1.00 0.00 ? 26 LEU A CD2 14 ATOM 20190 H H . LEU A 1 26 ? -4.388 -5.323 2.042 1.00 0.00 ? 26 LEU A H 14 ATOM 20191 H HA . LEU A 1 26 ? -2.609 -7.459 1.971 1.00 0.00 ? 26 LEU A HA 14 ATOM 20192 H HB2 . LEU A 1 26 ? -1.675 -5.570 2.859 1.00 0.00 ? 26 LEU A HB2 14 ATOM 20193 H HB3 . LEU A 1 26 ? -3.097 -5.192 3.829 1.00 0.00 ? 26 LEU A HB3 14 ATOM 20194 H HG . LEU A 1 26 ? -2.457 -7.042 5.371 1.00 0.00 ? 26 LEU A HG 14 ATOM 20195 H HD11 . LEU A 1 26 ? -0.182 -7.926 5.242 1.00 0.00 ? 26 LEU A HD11 14 ATOM 20196 H HD12 . LEU A 1 26 ? 0.066 -7.070 3.721 1.00 0.00 ? 26 LEU A HD12 14 ATOM 20197 H HD13 . LEU A 1 26 ? -1.127 -8.365 3.820 1.00 0.00 ? 26 LEU A HD13 14 ATOM 20198 H HD21 . LEU A 1 26 ? -0.392 -5.813 6.255 1.00 0.00 ? 26 LEU A HD21 14 ATOM 20199 H HD22 . LEU A 1 26 ? -1.896 -4.902 6.122 1.00 0.00 ? 26 LEU A HD22 14 ATOM 20200 H HD23 . LEU A 1 26 ? -0.634 -4.705 4.904 1.00 0.00 ? 26 LEU A HD23 14 ATOM 20201 N N . ALA A 1 27 ? -4.993 -7.775 4.190 1.00 0.00 ? 27 ALA A N 14 ATOM 20202 C CA . ALA A 1 27 ? -5.649 -8.716 5.089 1.00 0.00 ? 27 ALA A CA 14 ATOM 20203 C C . ALA A 1 27 ? -6.137 -9.948 4.334 1.00 0.00 ? 27 ALA A C 14 ATOM 20204 O O . ALA A 1 27 ? -6.054 -11.068 4.836 1.00 0.00 ? 27 ALA A O 14 ATOM 20205 C CB . ALA A 1 27 ? -6.809 -8.040 5.806 1.00 0.00 ? 27 ALA A CB 14 ATOM 20206 H H . ALA A 1 27 ? -5.423 -6.916 4.000 1.00 0.00 ? 27 ALA A H 14 ATOM 20207 H HA . ALA A 1 27 ? -4.929 -9.024 5.833 1.00 0.00 ? 27 ALA A HA 14 ATOM 20208 H HB1 . ALA A 1 27 ? -7.052 -7.116 5.302 1.00 0.00 ? 27 ALA A HB1 14 ATOM 20209 H HB2 . ALA A 1 27 ? -7.668 -8.693 5.796 1.00 0.00 ? 27 ALA A HB2 14 ATOM 20210 H HB3 . ALA A 1 27 ? -6.527 -7.830 6.827 1.00 0.00 ? 27 ALA A HB3 14 ATOM 20211 N N . ALA A 1 28 ? -6.648 -9.732 3.126 1.00 0.00 ? 28 ALA A N 14 ATOM 20212 C CA . ALA A 1 28 ? -7.148 -10.825 2.302 1.00 0.00 ? 28 ALA A CA 14 ATOM 20213 C C . ALA A 1 28 ? -6.020 -11.474 1.508 1.00 0.00 ? 28 ALA A C 14 ATOM 20214 O O . ALA A 1 28 ? -6.254 -12.088 0.467 1.00 0.00 ? 28 ALA A O 14 ATOM 20215 C CB . ALA A 1 28 ? -8.236 -10.323 1.363 1.00 0.00 ? 28 ALA A CB 14 ATOM 20216 H H . ALA A 1 28 ? -6.688 -8.816 2.781 1.00 0.00 ? 28 ALA A H 14 ATOM 20217 H HA . ALA A 1 28 ? -7.586 -11.564 2.957 1.00 0.00 ? 28 ALA A HA 14 ATOM 20218 H HB1 . ALA A 1 28 ? -7.827 -9.562 0.715 1.00 0.00 ? 28 ALA A HB1 14 ATOM 20219 H HB2 . ALA A 1 28 ? -8.604 -11.144 0.768 1.00 0.00 ? 28 ALA A HB2 14 ATOM 20220 H HB3 . ALA A 1 28 ? -9.046 -9.905 1.942 1.00 0.00 ? 28 ALA A HB3 14 ATOM 20221 N N . GLY A 1 29 ? -4.796 -11.335 2.006 1.00 0.00 ? 29 GLY A N 14 ATOM 20222 C CA . GLY A 1 29 ? -3.649 -11.913 1.330 1.00 0.00 ? 29 GLY A CA 14 ATOM 20223 C C . GLY A 1 29 ? -3.415 -11.304 -0.039 1.00 0.00 ? 29 GLY A C 14 ATOM 20224 O O . GLY A 1 29 ? -2.609 -11.807 -0.821 1.00 0.00 ? 29 GLY A O 14 ATOM 20225 H H . GLY A 1 29 ? -4.669 -10.835 2.840 1.00 0.00 ? 29 GLY A H 14 ATOM 20226 H HA2 . GLY A 1 29 ? -2.770 -11.757 1.937 1.00 0.00 ? 29 GLY A HA2 14 ATOM 20227 H HA3 . GLY A 1 29 ? -3.811 -12.975 1.215 1.00 0.00 ? 29 GLY A HA3 14 ATOM 20228 N N . LYS A 1 30 ? -4.124 -10.219 -0.330 1.00 0.00 ? 30 LYS A N 14 ATOM 20229 C CA . LYS A 1 30 ? -3.991 -9.539 -1.613 1.00 0.00 ? 30 LYS A CA 14 ATOM 20230 C C . LYS A 1 30 ? -2.787 -8.603 -1.611 1.00 0.00 ? 30 LYS A C 14 ATOM 20231 O O . LYS A 1 30 ? -2.852 -7.491 -2.136 1.00 0.00 ? 30 LYS A O 14 ATOM 20232 C CB . LYS A 1 30 ? -5.263 -8.750 -1.930 1.00 0.00 ? 30 LYS A CB 14 ATOM 20233 C CG . LYS A 1 30 ? -6.472 -9.629 -2.204 1.00 0.00 ? 30 LYS A CG 14 ATOM 20234 C CD . LYS A 1 30 ? -6.395 -10.270 -3.580 1.00 0.00 ? 30 LYS A CD 14 ATOM 20235 C CE . LYS A 1 30 ? -7.780 -10.519 -4.157 1.00 0.00 ? 30 LYS A CE 14 ATOM 20236 N NZ . LYS A 1 30 ? -8.522 -9.249 -4.388 1.00 0.00 ? 30 LYS A NZ 14 ATOM 20237 H H . LYS A 1 30 ? -4.752 -9.865 0.335 1.00 0.00 ? 30 LYS A H 14 ATOM 20238 H HA . LYS A 1 30 ? -3.846 -10.292 -2.374 1.00 0.00 ? 30 LYS A HA 14 ATOM 20239 H HB2 . LYS A 1 30 ? -5.493 -8.109 -1.092 1.00 0.00 ? 30 LYS A HB2 14 ATOM 20240 H HB3 . LYS A 1 30 ? -5.085 -8.138 -2.803 1.00 0.00 ? 30 LYS A HB3 14 ATOM 20241 H HG2 . LYS A 1 30 ? -6.515 -10.408 -1.458 1.00 0.00 ? 30 LYS A HG2 14 ATOM 20242 H HG3 . LYS A 1 30 ? -7.365 -9.024 -2.148 1.00 0.00 ? 30 LYS A HG3 14 ATOM 20243 H HD2 . LYS A 1 30 ? -5.854 -9.612 -4.244 1.00 0.00 ? 30 LYS A HD2 14 ATOM 20244 H HD3 . LYS A 1 30 ? -5.872 -11.213 -3.500 1.00 0.00 ? 30 LYS A HD3 14 ATOM 20245 H HE2 . LYS A 1 30 ? -7.676 -11.041 -5.095 1.00 0.00 ? 30 LYS A HE2 14 ATOM 20246 H HE3 . LYS A 1 30 ? -8.339 -11.132 -3.464 1.00 0.00 ? 30 LYS A HE3 14 ATOM 20247 H HZ1 . LYS A 1 30 ? -9.511 -9.353 -4.083 1.00 0.00 ? 30 LYS A HZ1 14 ATOM 20248 H HZ2 . LYS A 1 30 ? -8.507 -9.005 -5.398 1.00 0.00 ? 30 LYS A HZ2 14 ATOM 20249 H HZ3 . LYS A 1 30 ? -8.083 -8.476 -3.849 1.00 0.00 ? 30 LYS A HZ3 14 ATOM 20250 N N . TYR A 1 31 ? -1.689 -9.060 -1.020 1.00 0.00 ? 31 TYR A N 14 ATOM 20251 C CA . TYR A 1 31 ? -0.470 -8.263 -0.949 1.00 0.00 ? 31 TYR A CA 14 ATOM 20252 C C . TYR A 1 31 ? -0.181 -7.590 -2.287 1.00 0.00 ? 31 TYR A C 14 ATOM 20253 O O . TYR A 1 31 ? -0.258 -6.368 -2.408 1.00 0.00 ? 31 TYR A O 14 ATOM 20254 C CB . TYR A 1 31 ? 0.715 -9.140 -0.540 1.00 0.00 ? 31 TYR A CB 14 ATOM 20255 C CG . TYR A 1 31 ? 0.467 -9.946 0.715 1.00 0.00 ? 31 TYR A CG 14 ATOM 20256 C CD1 . TYR A 1 31 ? 0.710 -9.404 1.971 1.00 0.00 ? 31 TYR A CD1 14 ATOM 20257 C CD2 . TYR A 1 31 ? -0.008 -11.250 0.645 1.00 0.00 ? 31 TYR A CD2 14 ATOM 20258 C CE1 . TYR A 1 31 ? 0.486 -10.137 3.121 1.00 0.00 ? 31 TYR A CE1 14 ATOM 20259 C CE2 . TYR A 1 31 ? -0.236 -11.989 1.789 1.00 0.00 ? 31 TYR A CE2 14 ATOM 20260 C CZ . TYR A 1 31 ? 0.012 -11.429 3.024 1.00 0.00 ? 31 TYR A CZ 14 ATOM 20261 O OH . TYR A 1 31 ? -0.213 -12.163 4.166 1.00 0.00 ? 31 TYR A OH 14 ATOM 20262 H H . TYR A 1 31 ? -1.698 -9.955 -0.619 1.00 0.00 ? 31 TYR A H 14 ATOM 20263 H HA . TYR A 1 31 ? -0.616 -7.500 -0.199 1.00 0.00 ? 31 TYR A HA 14 ATOM 20264 H HB2 . TYR A 1 31 ? 0.935 -9.831 -1.339 1.00 0.00 ? 31 TYR A HB2 14 ATOM 20265 H HB3 . TYR A 1 31 ? 1.576 -8.511 -0.366 1.00 0.00 ? 31 TYR A HB3 14 ATOM 20266 H HD1 . TYR A 1 31 ? 1.080 -8.392 2.043 1.00 0.00 ? 31 TYR A HD1 14 ATOM 20267 H HD2 . TYR A 1 31 ? -0.201 -11.686 -0.325 1.00 0.00 ? 31 TYR A HD2 14 ATOM 20268 H HE1 . TYR A 1 31 ? 0.680 -9.698 4.089 1.00 0.00 ? 31 TYR A HE1 14 ATOM 20269 H HE2 . TYR A 1 31 ? -0.607 -13.001 1.714 1.00 0.00 ? 31 TYR A HE2 14 ATOM 20270 H HH . TYR A 1 31 ? -0.576 -13.019 3.930 1.00 0.00 ? 31 TYR A HH 14 ATOM 20271 N N . GLU A 1 32 ? 0.150 -8.398 -3.289 1.00 0.00 ? 32 GLU A N 14 ATOM 20272 C CA . GLU A 1 32 ? 0.451 -7.880 -4.619 1.00 0.00 ? 32 GLU A CA 14 ATOM 20273 C C . GLU A 1 32 ? -0.455 -6.700 -4.961 1.00 0.00 ? 32 GLU A C 14 ATOM 20274 O O . GLU A 1 32 ? 0.020 -5.631 -5.343 1.00 0.00 ? 32 GLU A O 14 ATOM 20275 C CB . GLU A 1 32 ? 0.289 -8.982 -5.668 1.00 0.00 ? 32 GLU A CB 14 ATOM 20276 C CG . GLU A 1 32 ? 0.800 -8.592 -7.045 1.00 0.00 ? 32 GLU A CG 14 ATOM 20277 C CD . GLU A 1 32 ? 0.297 -9.516 -8.137 1.00 0.00 ? 32 GLU A CD 14 ATOM 20278 O OE1 . GLU A 1 32 ? -0.935 -9.585 -8.335 1.00 0.00 ? 32 GLU A OE1 14 ATOM 20279 O OE2 . GLU A 1 32 ? 1.133 -10.170 -8.794 1.00 0.00 ? 32 GLU A OE2 14 ATOM 20280 H H . GLU A 1 32 ? 0.194 -9.363 -3.131 1.00 0.00 ? 32 GLU A H 14 ATOM 20281 H HA . GLU A 1 32 ? 1.476 -7.543 -4.620 1.00 0.00 ? 32 GLU A HA 14 ATOM 20282 H HB2 . GLU A 1 32 ? 0.830 -9.857 -5.340 1.00 0.00 ? 32 GLU A HB2 14 ATOM 20283 H HB3 . GLU A 1 32 ? -0.759 -9.230 -5.753 1.00 0.00 ? 32 GLU A HB3 14 ATOM 20284 H HG2 . GLU A 1 32 ? 0.472 -7.587 -7.265 1.00 0.00 ? 32 GLU A HG2 14 ATOM 20285 H HG3 . GLU A 1 32 ? 1.879 -8.623 -7.036 1.00 0.00 ? 32 GLU A HG3 14 ATOM 20286 N N . GLU A 1 33 ? -1.761 -6.904 -4.822 1.00 0.00 ? 33 GLU A N 14 ATOM 20287 C CA . GLU A 1 33 ? -2.732 -5.858 -5.118 1.00 0.00 ? 33 GLU A CA 14 ATOM 20288 C C . GLU A 1 33 ? -2.363 -4.557 -4.412 1.00 0.00 ? 33 GLU A C 14 ATOM 20289 O O . GLU A 1 33 ? -2.336 -3.491 -5.027 1.00 0.00 ? 33 GLU A O 14 ATOM 20290 C CB . GLU A 1 33 ? -4.135 -6.299 -4.695 1.00 0.00 ? 33 GLU A CB 14 ATOM 20291 C CG . GLU A 1 33 ? -4.593 -7.588 -5.358 1.00 0.00 ? 33 GLU A CG 14 ATOM 20292 C CD . GLU A 1 33 ? -4.341 -7.597 -6.853 1.00 0.00 ? 33 GLU A CD 14 ATOM 20293 O OE1 . GLU A 1 33 ? -3.164 -7.701 -7.256 1.00 0.00 ? 33 GLU A OE1 14 ATOM 20294 O OE2 . GLU A 1 33 ? -5.322 -7.499 -7.620 1.00 0.00 ? 33 GLU A OE2 14 ATOM 20295 H H . GLU A 1 33 ? -2.078 -7.779 -4.514 1.00 0.00 ? 33 GLU A H 14 ATOM 20296 H HA . GLU A 1 33 ? -2.724 -5.690 -6.184 1.00 0.00 ? 33 GLU A HA 14 ATOM 20297 H HB2 . GLU A 1 33 ? -4.146 -6.445 -3.625 1.00 0.00 ? 33 GLU A HB2 14 ATOM 20298 H HB3 . GLU A 1 33 ? -4.837 -5.519 -4.950 1.00 0.00 ? 33 GLU A HB3 14 ATOM 20299 H HG2 . GLU A 1 33 ? -4.061 -8.415 -4.914 1.00 0.00 ? 33 GLU A HG2 14 ATOM 20300 H HG3 . GLU A 1 33 ? -5.653 -7.709 -5.185 1.00 0.00 ? 33 GLU A HG3 14 ATOM 20301 N N . ALA A 1 34 ? -2.078 -4.653 -3.118 1.00 0.00 ? 34 ALA A N 14 ATOM 20302 C CA . ALA A 1 34 ? -1.708 -3.485 -2.328 1.00 0.00 ? 34 ALA A CA 14 ATOM 20303 C C . ALA A 1 34 ? -0.373 -2.911 -2.789 1.00 0.00 ? 34 ALA A C 14 ATOM 20304 O O . ALA A 1 34 ? -0.248 -1.706 -3.012 1.00 0.00 ? 34 ALA A O 14 ATOM 20305 C CB . ALA A 1 34 ? -1.648 -3.844 -0.851 1.00 0.00 ? 34 ALA A CB 14 ATOM 20306 H H . ALA A 1 34 ? -2.116 -5.531 -2.684 1.00 0.00 ? 34 ALA A H 14 ATOM 20307 H HA . ALA A 1 34 ? -2.475 -2.736 -2.460 1.00 0.00 ? 34 ALA A HA 14 ATOM 20308 H HB1 . ALA A 1 34 ? -0.644 -4.152 -0.597 1.00 0.00 ? 34 ALA A HB1 14 ATOM 20309 H HB2 . ALA A 1 34 ? -1.921 -2.983 -0.260 1.00 0.00 ? 34 ALA A HB2 14 ATOM 20310 H HB3 . ALA A 1 34 ? -2.335 -4.652 -0.649 1.00 0.00 ? 34 ALA A HB3 14 ATOM 20311 N N . ILE A 1 35 ? 0.623 -3.779 -2.931 1.00 0.00 ? 35 ILE A N 14 ATOM 20312 C CA . ILE A 1 35 ? 1.948 -3.358 -3.366 1.00 0.00 ? 35 ILE A CA 14 ATOM 20313 C C . ILE A 1 35 ? 1.858 -2.221 -4.378 1.00 0.00 ? 35 ILE A C 14 ATOM 20314 O O . ILE A 1 35 ? 2.294 -1.101 -4.110 1.00 0.00 ? 35 ILE A O 14 ATOM 20315 C CB . ILE A 1 35 ? 2.733 -4.526 -3.991 1.00 0.00 ? 35 ILE A CB 14 ATOM 20316 C CG1 . ILE A 1 35 ? 3.073 -5.569 -2.925 1.00 0.00 ? 35 ILE A CG1 14 ATOM 20317 C CG2 . ILE A 1 35 ? 4.000 -4.014 -4.662 1.00 0.00 ? 35 ILE A CG2 14 ATOM 20318 C CD1 . ILE A 1 35 ? 3.652 -6.846 -3.492 1.00 0.00 ? 35 ILE A CD1 14 ATOM 20319 H H . ILE A 1 35 ? 0.461 -4.726 -2.739 1.00 0.00 ? 35 ILE A H 14 ATOM 20320 H HA . ILE A 1 35 ? 2.489 -3.010 -2.498 1.00 0.00 ? 35 ILE A HA 14 ATOM 20321 H HB . ILE A 1 35 ? 2.114 -4.983 -4.748 1.00 0.00 ? 35 ILE A HB 14 ATOM 20322 H HG12 . ILE A 1 35 ? 3.796 -5.153 -2.241 1.00 0.00 ? 35 ILE A HG12 14 ATOM 20323 H HG13 . ILE A 1 35 ? 2.174 -5.824 -2.382 1.00 0.00 ? 35 ILE A HG13 14 ATOM 20324 H HG21 . ILE A 1 35 ? 4.488 -4.828 -5.177 1.00 0.00 ? 35 ILE A HG21 14 ATOM 20325 H HG22 . ILE A 1 35 ? 3.744 -3.241 -5.371 1.00 0.00 ? 35 ILE A HG22 14 ATOM 20326 H HG23 . ILE A 1 35 ? 4.665 -3.610 -3.914 1.00 0.00 ? 35 ILE A HG23 14 ATOM 20327 H HD11 . ILE A 1 35 ? 3.019 -7.679 -3.225 1.00 0.00 ? 35 ILE A HD11 14 ATOM 20328 H HD12 . ILE A 1 35 ? 3.712 -6.769 -4.567 1.00 0.00 ? 35 ILE A HD12 14 ATOM 20329 H HD13 . ILE A 1 35 ? 4.642 -7.004 -3.087 1.00 0.00 ? 35 ILE A HD13 14 ATOM 20330 N N . SER A 1 36 ? 1.289 -2.515 -5.543 1.00 0.00 ? 36 SER A N 14 ATOM 20331 C CA . SER A 1 36 ? 1.144 -1.518 -6.597 1.00 0.00 ? 36 SER A CA 14 ATOM 20332 C C . SER A 1 36 ? 0.270 -0.358 -6.130 1.00 0.00 ? 36 SER A C 14 ATOM 20333 O O . SER A 1 36 ? 0.583 0.807 -6.377 1.00 0.00 ? 36 SER A O 14 ATOM 20334 C CB . SER A 1 36 ? 0.539 -2.155 -7.850 1.00 0.00 ? 36 SER A CB 14 ATOM 20335 O OG . SER A 1 36 ? 1.502 -2.925 -8.546 1.00 0.00 ? 36 SER A OG 14 ATOM 20336 H H . SER A 1 36 ? 0.962 -3.426 -5.697 1.00 0.00 ? 36 SER A H 14 ATOM 20337 H HA . SER A 1 36 ? 2.127 -1.141 -6.834 1.00 0.00 ? 36 SER A HA 14 ATOM 20338 H HB2 . SER A 1 36 ? -0.280 -2.797 -7.564 1.00 0.00 ? 36 SER A HB2 14 ATOM 20339 H HB3 . SER A 1 36 ? 0.175 -1.376 -8.505 1.00 0.00 ? 36 SER A HB3 14 ATOM 20340 H HG . SER A 1 36 ? 1.483 -3.829 -8.224 1.00 0.00 ? 36 SER A HG 14 ATOM 20341 N N . CYS A 1 37 ? -0.825 -0.685 -5.453 1.00 0.00 ? 37 CYS A N 14 ATOM 20342 C CA . CYS A 1 37 ? -1.745 0.330 -4.951 1.00 0.00 ? 37 CYS A CA 14 ATOM 20343 C C . CYS A 1 37 ? -0.996 1.406 -4.173 1.00 0.00 ? 37 CYS A C 14 ATOM 20344 O O . CYS A 1 37 ? -1.432 2.555 -4.105 1.00 0.00 ? 37 CYS A O 14 ATOM 20345 C CB . CYS A 1 37 ? -2.809 -0.314 -4.061 1.00 0.00 ? 37 CYS A CB 14 ATOM 20346 S SG . CYS A 1 37 ? -4.400 0.546 -4.074 1.00 0.00 ? 37 CYS A SG 14 ATOM 20347 H H . CYS A 1 37 ? -1.020 -1.631 -5.287 1.00 0.00 ? 37 CYS A H 14 ATOM 20348 H HA . CYS A 1 37 ? -2.228 0.787 -5.801 1.00 0.00 ? 37 CYS A HA 14 ATOM 20349 H HB2 . CYS A 1 37 ? -2.982 -1.327 -4.393 1.00 0.00 ? 37 CYS A HB2 14 ATOM 20350 H HB3 . CYS A 1 37 ? -2.452 -0.332 -3.042 1.00 0.00 ? 37 CYS A HB3 14 ATOM 20351 H HG . CYS A 1 37 ? -5.314 -0.294 -4.534 1.00 0.00 ? 37 CYS A HG 14 ATOM 20352 N N . HIS A 1 38 ? 0.134 1.025 -3.584 1.00 0.00 ? 38 HIS A N 14 ATOM 20353 C CA . HIS A 1 38 ? 0.944 1.958 -2.809 1.00 0.00 ? 38 HIS A CA 14 ATOM 20354 C C . HIS A 1 38 ? 1.905 2.724 -3.712 1.00 0.00 ? 38 HIS A C 14 ATOM 20355 O O . HIS A 1 38 ? 2.068 3.937 -3.575 1.00 0.00 ? 38 HIS A O 14 ATOM 20356 C CB . HIS A 1 38 ? 1.727 1.210 -1.729 1.00 0.00 ? 38 HIS A CB 14 ATOM 20357 C CG . HIS A 1 38 ? 0.985 1.078 -0.434 1.00 0.00 ? 38 HIS A CG 14 ATOM 20358 N ND1 . HIS A 1 38 ? 0.329 2.131 0.168 1.00 0.00 ? 38 HIS A ND1 14 ATOM 20359 C CD2 . HIS A 1 38 ? 0.796 0.008 0.372 1.00 0.00 ? 38 HIS A CD2 14 ATOM 20360 C CE1 . HIS A 1 38 ? -0.230 1.714 1.290 1.00 0.00 ? 38 HIS A CE1 14 ATOM 20361 N NE2 . HIS A 1 38 ? 0.038 0.429 1.437 1.00 0.00 ? 38 HIS A NE2 14 ATOM 20362 H H . HIS A 1 38 ? 0.429 0.095 -3.674 1.00 0.00 ? 38 HIS A H 14 ATOM 20363 H HA . HIS A 1 38 ? 0.277 2.662 -2.335 1.00 0.00 ? 38 HIS A HA 14 ATOM 20364 H HB2 . HIS A 1 38 ? 1.955 0.216 -2.083 1.00 0.00 ? 38 HIS A HB2 14 ATOM 20365 H HB3 . HIS A 1 38 ? 2.649 1.738 -1.531 1.00 0.00 ? 38 HIS A HB3 14 ATOM 20366 H HD1 . HIS A 1 38 ? 0.282 3.047 -0.175 1.00 0.00 ? 38 HIS A HD1 14 ATOM 20367 H HD2 . HIS A 1 38 ? 1.171 -0.993 0.209 1.00 0.00 ? 38 HIS A HD2 14 ATOM 20368 H HE1 . HIS A 1 38 ? -0.807 2.320 1.972 1.00 0.00 ? 38 HIS A HE1 14 ATOM 20369 H HE2 . HIS A 1 38 ? -0.184 -0.107 2.226 1.00 0.00 ? 38 HIS A HE2 14 ATOM 20370 N N . ARG A 1 39 ? 2.540 2.008 -4.635 1.00 0.00 ? 39 ARG A N 14 ATOM 20371 C CA . ARG A 1 39 ? 3.486 2.621 -5.559 1.00 0.00 ? 39 ARG A CA 14 ATOM 20372 C C . ARG A 1 39 ? 2.841 3.783 -6.308 1.00 0.00 ? 39 ARG A C 14 ATOM 20373 O O . ARG A 1 39 ? 3.530 4.652 -6.842 1.00 0.00 ? 39 ARG A O 14 ATOM 20374 C CB . ARG A 1 39 ? 4.003 1.582 -6.556 1.00 0.00 ? 39 ARG A CB 14 ATOM 20375 C CG . ARG A 1 39 ? 4.777 0.447 -5.907 1.00 0.00 ? 39 ARG A CG 14 ATOM 20376 C CD . ARG A 1 39 ? 5.535 -0.373 -6.940 1.00 0.00 ? 39 ARG A CD 14 ATOM 20377 N NE . ARG A 1 39 ? 6.824 0.226 -7.275 1.00 0.00 ? 39 ARG A NE 14 ATOM 20378 C CZ . ARG A 1 39 ? 7.625 -0.239 -8.228 1.00 0.00 ? 39 ARG A CZ 14 ATOM 20379 N NH1 . ARG A 1 39 ? 7.270 -1.302 -8.936 1.00 0.00 ? 39 ARG A NH1 14 ATOM 20380 N NH2 . ARG A 1 39 ? 8.782 0.361 -8.475 1.00 0.00 ? 39 ARG A NH2 14 ATOM 20381 H H . ARG A 1 39 ? 2.368 1.045 -4.695 1.00 0.00 ? 39 ARG A H 14 ATOM 20382 H HA . ARG A 1 39 ? 4.318 2.997 -4.982 1.00 0.00 ? 39 ARG A HA 14 ATOM 20383 H HB2 . ARG A 1 39 ? 3.162 1.158 -7.085 1.00 0.00 ? 39 ARG A HB2 14 ATOM 20384 H HB3 . ARG A 1 39 ? 4.652 2.073 -7.265 1.00 0.00 ? 39 ARG A HB3 14 ATOM 20385 H HG2 . ARG A 1 39 ? 5.485 0.862 -5.204 1.00 0.00 ? 39 ARG A HG2 14 ATOM 20386 H HG3 . ARG A 1 39 ? 4.085 -0.197 -5.386 1.00 0.00 ? 39 ARG A HG3 14 ATOM 20387 H HD2 . ARG A 1 39 ? 5.702 -1.363 -6.542 1.00 0.00 ? 39 ARG A HD2 14 ATOM 20388 H HD3 . ARG A 1 39 ? 4.936 -0.441 -7.836 1.00 0.00 ? 39 ARG A HD3 14 ATOM 20389 H HE . ARG A 1 39 ? 7.106 1.013 -6.765 1.00 0.00 ? 39 ARG A HE 14 ATOM 20390 H HH11 . ARG A 1 39 ? 6.398 -1.756 -8.753 1.00 0.00 ? 39 ARG A HH11 14 ATOM 20391 H HH12 . ARG A 1 39 ? 7.874 -1.650 -9.654 1.00 0.00 ? 39 ARG A HH12 14 ATOM 20392 H HH21 . ARG A 1 39 ? 9.053 1.163 -7.943 1.00 0.00 ? 39 ARG A HH21 14 ATOM 20393 H HH22 . ARG A 1 39 ? 9.384 0.010 -9.192 1.00 0.00 ? 39 ARG A HH22 14 ATOM 20394 N N . LYS A 1 40 ? 1.512 3.793 -6.343 1.00 0.00 ? 40 LYS A N 14 ATOM 20395 C CA . LYS A 1 40 ? 0.772 4.847 -7.025 1.00 0.00 ? 40 LYS A CA 14 ATOM 20396 C C . LYS A 1 40 ? 0.679 6.097 -6.155 1.00 0.00 ? 40 LYS A C 14 ATOM 20397 O O . LYS A 1 40 ? 1.034 7.193 -6.587 1.00 0.00 ? 40 LYS A O 14 ATOM 20398 C CB . LYS A 1 40 ? -0.633 4.360 -7.388 1.00 0.00 ? 40 LYS A CB 14 ATOM 20399 C CG . LYS A 1 40 ? -0.709 3.679 -8.743 1.00 0.00 ? 40 LYS A CG 14 ATOM 20400 C CD . LYS A 1 40 ? -0.462 2.184 -8.630 1.00 0.00 ? 40 LYS A CD 14 ATOM 20401 C CE . LYS A 1 40 ? -0.851 1.456 -9.908 1.00 0.00 ? 40 LYS A CE 14 ATOM 20402 N NZ . LYS A 1 40 ? -1.289 0.059 -9.639 1.00 0.00 ? 40 LYS A NZ 14 ATOM 20403 H H . LYS A 1 40 ? 1.018 3.072 -5.898 1.00 0.00 ? 40 LYS A H 14 ATOM 20404 H HA . LYS A 1 40 ? 1.304 5.093 -7.931 1.00 0.00 ? 40 LYS A HA 14 ATOM 20405 H HB2 . LYS A 1 40 ? -0.963 3.658 -6.636 1.00 0.00 ? 40 LYS A HB2 14 ATOM 20406 H HB3 . LYS A 1 40 ? -1.303 5.207 -7.396 1.00 0.00 ? 40 LYS A HB3 14 ATOM 20407 H HG2 . LYS A 1 40 ? -1.691 3.839 -9.162 1.00 0.00 ? 40 LYS A HG2 14 ATOM 20408 H HG3 . LYS A 1 40 ? 0.038 4.110 -9.395 1.00 0.00 ? 40 LYS A HG3 14 ATOM 20409 H HD2 . LYS A 1 40 ? 0.587 2.014 -8.438 1.00 0.00 ? 40 LYS A HD2 14 ATOM 20410 H HD3 . LYS A 1 40 ? -1.047 1.792 -7.810 1.00 0.00 ? 40 LYS A HD3 14 ATOM 20411 H HE2 . LYS A 1 40 ? -1.659 1.993 -10.380 1.00 0.00 ? 40 LYS A HE2 14 ATOM 20412 H HE3 . LYS A 1 40 ? 0.003 1.436 -10.569 1.00 0.00 ? 40 LYS A HE3 14 ATOM 20413 H HZ1 . LYS A 1 40 ? -1.282 -0.127 -8.616 1.00 0.00 ? 40 LYS A HZ1 14 ATOM 20414 H HZ2 . LYS A 1 40 ? -0.647 -0.613 -10.106 1.00 0.00 ? 40 LYS A HZ2 14 ATOM 20415 H HZ3 . LYS A 1 40 ? -2.252 -0.090 -10.001 1.00 0.00 ? 40 LYS A HZ3 14 ATOM 20416 N N . ALA A 1 41 ? 0.201 5.923 -4.927 1.00 0.00 ? 41 ALA A N 14 ATOM 20417 C CA . ALA A 1 41 ? 0.066 7.036 -3.995 1.00 0.00 ? 41 ALA A CA 14 ATOM 20418 C C . ALA A 1 41 ? 1.394 7.762 -3.810 1.00 0.00 ? 41 ALA A C 14 ATOM 20419 O O . ALA A 1 41 ? 1.474 8.981 -3.963 1.00 0.00 ? 41 ALA A O 14 ATOM 20420 C CB . ALA A 1 41 ? -0.459 6.542 -2.655 1.00 0.00 ? 41 ALA A CB 14 ATOM 20421 H H . ALA A 1 41 ? -0.065 5.025 -4.640 1.00 0.00 ? 41 ALA A H 14 ATOM 20422 H HA . ALA A 1 41 ? -0.657 7.727 -4.404 1.00 0.00 ? 41 ALA A HA 14 ATOM 20423 H HB1 . ALA A 1 41 ? 0.351 6.100 -2.093 1.00 0.00 ? 41 ALA A HB1 14 ATOM 20424 H HB2 . ALA A 1 41 ? -0.871 7.372 -2.102 1.00 0.00 ? 41 ALA A HB2 14 ATOM 20425 H HB3 . ALA A 1 41 ? -1.228 5.802 -2.821 1.00 0.00 ? 41 ALA A HB3 14 ATOM 20426 N N . THR A 1 42 ? 2.436 7.005 -3.480 1.00 0.00 ? 42 THR A N 14 ATOM 20427 C CA . THR A 1 42 ? 3.761 7.577 -3.273 1.00 0.00 ? 42 THR A CA 14 ATOM 20428 C C . THR A 1 42 ? 4.141 8.512 -4.414 1.00 0.00 ? 42 THR A C 14 ATOM 20429 O O . THR A 1 42 ? 4.588 9.637 -4.187 1.00 0.00 ? 42 THR A O 14 ATOM 20430 C CB . THR A 1 42 ? 4.833 6.478 -3.145 1.00 0.00 ? 42 THR A CB 14 ATOM 20431 O OG1 . THR A 1 42 ? 4.608 5.459 -4.126 1.00 0.00 ? 42 THR A OG1 14 ATOM 20432 C CG2 . THR A 1 42 ? 4.816 5.864 -1.754 1.00 0.00 ? 42 THR A CG2 14 ATOM 20433 H H . THR A 1 42 ? 2.309 6.039 -3.374 1.00 0.00 ? 42 THR A H 14 ATOM 20434 H HA . THR A 1 42 ? 3.740 8.139 -2.351 1.00 0.00 ? 42 THR A HA 14 ATOM 20435 H HB . THR A 1 42 ? 5.803 6.922 -3.315 1.00 0.00 ? 42 THR A HB 14 ATOM 20436 H HG1 . THR A 1 42 ? 3.873 4.906 -3.850 1.00 0.00 ? 42 THR A HG1 14 ATOM 20437 H HG21 . THR A 1 42 ? 4.847 6.649 -1.013 1.00 0.00 ? 42 THR A HG21 14 ATOM 20438 H HG22 . THR A 1 42 ? 5.675 5.221 -1.634 1.00 0.00 ? 42 THR A HG22 14 ATOM 20439 H HG23 . THR A 1 42 ? 3.913 5.286 -1.628 1.00 0.00 ? 42 THR A HG23 14 ATOM 20440 N N . THR A 1 43 ? 3.961 8.041 -5.645 1.00 0.00 ? 43 THR A N 14 ATOM 20441 C CA . THR A 1 43 ? 4.285 8.836 -6.822 1.00 0.00 ? 43 THR A CA 14 ATOM 20442 C C . THR A 1 43 ? 3.560 10.176 -6.798 1.00 0.00 ? 43 THR A C 14 ATOM 20443 O O . THR A 1 43 ? 4.188 11.234 -6.864 1.00 0.00 ? 43 THR A O 14 ATOM 20444 C CB . THR A 1 43 ? 3.920 8.091 -8.120 1.00 0.00 ? 43 THR A CB 14 ATOM 20445 O OG1 . THR A 1 43 ? 4.654 6.864 -8.204 1.00 0.00 ? 43 THR A OG1 14 ATOM 20446 C CG2 . THR A 1 43 ? 4.219 8.951 -9.340 1.00 0.00 ? 43 THR A CG2 14 ATOM 20447 H H . THR A 1 43 ? 3.601 7.137 -5.761 1.00 0.00 ? 43 THR A H 14 ATOM 20448 H HA . THR A 1 43 ? 5.351 9.014 -6.822 1.00 0.00 ? 43 THR A HA 14 ATOM 20449 H HB . THR A 1 43 ? 2.863 7.869 -8.105 1.00 0.00 ? 43 THR A HB 14 ATOM 20450 H HG1 . THR A 1 43 ? 4.578 6.506 -9.092 1.00 0.00 ? 43 THR A HG1 14 ATOM 20451 H HG21 . THR A 1 43 ? 3.689 8.558 -10.195 1.00 0.00 ? 43 THR A HG21 14 ATOM 20452 H HG22 . THR A 1 43 ? 5.280 8.939 -9.537 1.00 0.00 ? 43 THR A HG22 14 ATOM 20453 H HG23 . THR A 1 43 ? 3.898 9.964 -9.152 1.00 0.00 ? 43 THR A HG23 14 ATOM 20454 N N . TYR A 1 44 ? 2.236 10.126 -6.703 1.00 0.00 ? 44 TYR A N 14 ATOM 20455 C CA . TYR A 1 44 ? 1.425 11.337 -6.672 1.00 0.00 ? 44 TYR A CA 14 ATOM 20456 C C . TYR A 1 44 ? 1.899 12.282 -5.571 1.00 0.00 ? 44 TYR A C 14 ATOM 20457 O O . TYR A 1 44 ? 1.942 13.499 -5.756 1.00 0.00 ? 44 TYR A O 14 ATOM 20458 C CB . TYR A 1 44 ? -0.048 10.985 -6.458 1.00 0.00 ? 44 TYR A CB 14 ATOM 20459 C CG . TYR A 1 44 ? -0.944 12.194 -6.308 1.00 0.00 ? 44 TYR A CG 14 ATOM 20460 C CD1 . TYR A 1 44 ? -0.910 13.227 -7.236 1.00 0.00 ? 44 TYR A CD1 14 ATOM 20461 C CD2 . TYR A 1 44 ? -1.823 12.302 -5.238 1.00 0.00 ? 44 TYR A CD2 14 ATOM 20462 C CE1 . TYR A 1 44 ? -1.726 14.334 -7.102 1.00 0.00 ? 44 TYR A CE1 14 ATOM 20463 C CE2 . TYR A 1 44 ? -2.644 13.404 -5.097 1.00 0.00 ? 44 TYR A CE2 14 ATOM 20464 C CZ . TYR A 1 44 ? -2.592 14.418 -6.032 1.00 0.00 ? 44 TYR A CZ 14 ATOM 20465 O OH . TYR A 1 44 ? -3.407 15.518 -5.894 1.00 0.00 ? 44 TYR A OH 14 ATOM 20466 H H . TYR A 1 44 ? 1.793 9.253 -6.654 1.00 0.00 ? 44 TYR A H 14 ATOM 20467 H HA . TYR A 1 44 ? 1.532 11.833 -7.626 1.00 0.00 ? 44 TYR A HA 14 ATOM 20468 H HB2 . TYR A 1 44 ? -0.400 10.415 -7.303 1.00 0.00 ? 44 TYR A HB2 14 ATOM 20469 H HB3 . TYR A 1 44 ? -0.142 10.388 -5.563 1.00 0.00 ? 44 TYR A HB3 14 ATOM 20470 H HD1 . TYR A 1 44 ? -0.231 13.159 -8.074 1.00 0.00 ? 44 TYR A HD1 14 ATOM 20471 H HD2 . TYR A 1 44 ? -1.861 11.507 -4.507 1.00 0.00 ? 44 TYR A HD2 14 ATOM 20472 H HE1 . TYR A 1 44 ? -1.686 15.127 -7.834 1.00 0.00 ? 44 TYR A HE1 14 ATOM 20473 H HE2 . TYR A 1 44 ? -3.321 13.470 -4.258 1.00 0.00 ? 44 TYR A HE2 14 ATOM 20474 H HH . TYR A 1 44 ? -3.364 16.049 -6.693 1.00 0.00 ? 44 TYR A HH 14 ATOM 20475 N N . LEU A 1 45 ? 2.254 11.712 -4.425 1.00 0.00 ? 45 LEU A N 14 ATOM 20476 C CA . LEU A 1 45 ? 2.725 12.501 -3.292 1.00 0.00 ? 45 LEU A CA 14 ATOM 20477 C C . LEU A 1 45 ? 4.025 13.223 -3.634 1.00 0.00 ? 45 LEU A C 14 ATOM 20478 O O . LEU A 1 45 ? 4.228 14.374 -3.250 1.00 0.00 ? 45 LEU A O 14 ATOM 20479 C CB . LEU A 1 45 ? 2.933 11.604 -2.071 1.00 0.00 ? 45 LEU A CB 14 ATOM 20480 C CG . LEU A 1 45 ? 1.665 11.145 -1.351 1.00 0.00 ? 45 LEU A CG 14 ATOM 20481 C CD1 . LEU A 1 45 ? 1.979 10.014 -0.385 1.00 0.00 ? 45 LEU A CD1 14 ATOM 20482 C CD2 . LEU A 1 45 ? 1.016 12.311 -0.619 1.00 0.00 ? 45 LEU A CD2 14 ATOM 20483 H H . LEU A 1 45 ? 2.198 10.738 -4.337 1.00 0.00 ? 45 LEU A H 14 ATOM 20484 H HA . LEU A 1 45 ? 1.969 13.237 -3.063 1.00 0.00 ? 45 LEU A HA 14 ATOM 20485 H HB2 . LEU A 1 45 ? 3.466 10.723 -2.395 1.00 0.00 ? 45 LEU A HB2 14 ATOM 20486 H HB3 . LEU A 1 45 ? 3.539 12.148 -1.361 1.00 0.00 ? 45 LEU A HB3 14 ATOM 20487 H HG . LEU A 1 45 ? 0.959 10.773 -2.081 1.00 0.00 ? 45 LEU A HG 14 ATOM 20488 H HD11 . LEU A 1 45 ? 1.280 9.205 -0.538 1.00 0.00 ? 45 LEU A HD11 14 ATOM 20489 H HD12 . LEU A 1 45 ? 1.895 10.374 0.630 1.00 0.00 ? 45 LEU A HD12 14 ATOM 20490 H HD13 . LEU A 1 45 ? 2.984 9.660 -0.559 1.00 0.00 ? 45 LEU A HD13 14 ATOM 20491 H HD21 . LEU A 1 45 ? 0.955 13.162 -1.280 1.00 0.00 ? 45 LEU A HD21 14 ATOM 20492 H HD22 . LEU A 1 45 ? 1.611 12.568 0.246 1.00 0.00 ? 45 LEU A HD22 14 ATOM 20493 H HD23 . LEU A 1 45 ? 0.023 12.029 -0.302 1.00 0.00 ? 45 LEU A HD23 14 ATOM 20494 N N . SER A 1 46 ? 4.902 12.538 -4.362 1.00 0.00 ? 46 SER A N 14 ATOM 20495 C CA . SER A 1 46 ? 6.183 13.112 -4.755 1.00 0.00 ? 46 SER A CA 14 ATOM 20496 C C . SER A 1 46 ? 5.981 14.312 -5.676 1.00 0.00 ? 46 SER A C 14 ATOM 20497 O O . SER A 1 46 ? 6.758 15.265 -5.650 1.00 0.00 ? 46 SER A O 14 ATOM 20498 C CB . SER A 1 46 ? 7.045 12.059 -5.454 1.00 0.00 ? 46 SER A CB 14 ATOM 20499 O OG . SER A 1 46 ? 8.414 12.428 -5.438 1.00 0.00 ? 46 SER A OG 14 ATOM 20500 H H . SER A 1 46 ? 4.683 11.623 -4.638 1.00 0.00 ? 46 SER A H 14 ATOM 20501 H HA . SER A 1 46 ? 6.688 13.442 -3.859 1.00 0.00 ? 46 SER A HA 14 ATOM 20502 H HB2 . SER A 1 46 ? 6.934 11.113 -4.947 1.00 0.00 ? 46 SER A HB2 14 ATOM 20503 H HB3 . SER A 1 46 ? 6.724 11.958 -6.480 1.00 0.00 ? 46 SER A HB3 14 ATOM 20504 H HG . SER A 1 46 ? 8.646 12.834 -6.276 1.00 0.00 ? 46 SER A HG 14 ATOM 20505 N N . GLU A 1 47 ? 4.930 14.256 -6.488 1.00 0.00 ? 47 GLU A N 14 ATOM 20506 C CA . GLU A 1 47 ? 4.626 15.338 -7.418 1.00 0.00 ? 47 GLU A CA 14 ATOM 20507 C C . GLU A 1 47 ? 4.109 16.566 -6.673 1.00 0.00 ? 47 GLU A C 14 ATOM 20508 O O . GLU A 1 47 ? 4.607 17.675 -6.862 1.00 0.00 ? 47 GLU A O 14 ATOM 20509 C CB . GLU A 1 47 ? 3.591 14.879 -8.447 1.00 0.00 ? 47 GLU A CB 14 ATOM 20510 C CG . GLU A 1 47 ? 4.200 14.188 -9.656 1.00 0.00 ? 47 GLU A CG 14 ATOM 20511 C CD . GLU A 1 47 ? 4.621 15.165 -10.736 1.00 0.00 ? 47 GLU A CD 14 ATOM 20512 O OE1 . GLU A 1 47 ? 4.964 16.316 -10.394 1.00 0.00 ? 47 GLU A OE1 14 ATOM 20513 O OE2 . GLU A 1 47 ? 4.608 14.778 -11.923 1.00 0.00 ? 47 GLU A OE2 14 ATOM 20514 H H . GLU A 1 47 ? 4.347 13.469 -6.462 1.00 0.00 ? 47 GLU A H 14 ATOM 20515 H HA . GLU A 1 47 ? 5.538 15.601 -7.931 1.00 0.00 ? 47 GLU A HA 14 ATOM 20516 H HB2 . GLU A 1 47 ? 2.907 14.192 -7.971 1.00 0.00 ? 47 GLU A HB2 14 ATOM 20517 H HB3 . GLU A 1 47 ? 3.038 15.741 -8.792 1.00 0.00 ? 47 GLU A HB3 14 ATOM 20518 H HG2 . GLU A 1 47 ? 5.068 13.632 -9.337 1.00 0.00 ? 47 GLU A HG2 14 ATOM 20519 H HG3 . GLU A 1 47 ? 3.471 13.508 -10.071 1.00 0.00 ? 47 GLU A HG3 14 ATOM 20520 N N . ALA A 1 48 ? 3.105 16.358 -5.827 1.00 0.00 ? 48 ALA A N 14 ATOM 20521 C CA . ALA A 1 48 ? 2.521 17.446 -5.053 1.00 0.00 ? 48 ALA A CA 14 ATOM 20522 C C . ALA A 1 48 ? 3.604 18.353 -4.478 1.00 0.00 ? 48 ALA A C 14 ATOM 20523 O O . ALA A 1 48 ? 3.655 19.544 -4.783 1.00 0.00 ? 48 ALA A O 14 ATOM 20524 C CB . ALA A 1 48 ? 1.648 16.891 -3.937 1.00 0.00 ? 48 ALA A CB 14 ATOM 20525 H H . ALA A 1 48 ? 2.750 15.451 -5.719 1.00 0.00 ? 48 ALA A H 14 ATOM 20526 H HA . ALA A 1 48 ? 1.893 18.026 -5.714 1.00 0.00 ? 48 ALA A HA 14 ATOM 20527 H HB1 . ALA A 1 48 ? 0.653 16.708 -4.318 1.00 0.00 ? 48 ALA A HB1 14 ATOM 20528 H HB2 . ALA A 1 48 ? 2.071 15.966 -3.576 1.00 0.00 ? 48 ALA A HB2 14 ATOM 20529 H HB3 . ALA A 1 48 ? 1.599 17.606 -3.130 1.00 0.00 ? 48 ALA A HB3 14 ATOM 20530 N N . MET A 1 49 ? 4.466 17.782 -3.643 1.00 0.00 ? 49 MET A N 14 ATOM 20531 C CA . MET A 1 49 ? 5.548 18.541 -3.026 1.00 0.00 ? 49 MET A CA 14 ATOM 20532 C C . MET A 1 49 ? 6.479 19.120 -4.086 1.00 0.00 ? 49 MET A C 14 ATOM 20533 O O . MET A 1 49 ? 7.082 20.175 -3.888 1.00 0.00 ? 49 MET A O 14 ATOM 20534 C CB . MET A 1 49 ? 6.340 17.651 -2.066 1.00 0.00 ? 49 MET A CB 14 ATOM 20535 C CG . MET A 1 49 ? 6.879 16.386 -2.714 1.00 0.00 ? 49 MET A CG 14 ATOM 20536 S SD . MET A 1 49 ? 7.694 15.294 -1.534 1.00 0.00 ? 49 MET A SD 14 ATOM 20537 C CE . MET A 1 49 ? 6.459 15.212 -0.240 1.00 0.00 ? 49 MET A CE 14 ATOM 20538 H H . MET A 1 49 ? 4.374 16.828 -3.438 1.00 0.00 ? 49 MET A H 14 ATOM 20539 H HA . MET A 1 49 ? 5.107 19.353 -2.468 1.00 0.00 ? 49 MET A HA 14 ATOM 20540 H HB2 . MET A 1 49 ? 7.175 18.215 -1.677 1.00 0.00 ? 49 MET A HB2 14 ATOM 20541 H HB3 . MET A 1 49 ? 5.698 17.363 -1.247 1.00 0.00 ? 49 MET A HB3 14 ATOM 20542 H HG2 . MET A 1 49 ? 6.059 15.852 -3.169 1.00 0.00 ? 49 MET A HG2 14 ATOM 20543 H HG3 . MET A 1 49 ? 7.591 16.665 -3.477 1.00 0.00 ? 49 MET A HG3 14 ATOM 20544 H HE1 . MET A 1 49 ? 5.478 15.350 -0.669 1.00 0.00 ? 49 MET A HE1 14 ATOM 20545 H HE2 . MET A 1 49 ? 6.508 14.248 0.244 1.00 0.00 ? 49 MET A HE2 14 ATOM 20546 H HE3 . MET A 1 49 ? 6.647 15.989 0.487 1.00 0.00 ? 49 MET A HE3 14 ATOM 20547 N N . LYS A 1 50 ? 6.593 18.424 -5.212 1.00 0.00 ? 50 LYS A N 14 ATOM 20548 C CA . LYS A 1 50 ? 7.450 18.869 -6.305 1.00 0.00 ? 50 LYS A CA 14 ATOM 20549 C C . LYS A 1 50 ? 6.868 20.105 -6.983 1.00 0.00 ? 50 LYS A C 14 ATOM 20550 O O . LYS A 1 50 ? 7.454 20.643 -7.924 1.00 0.00 ? 50 LYS A O 14 ATOM 20551 C CB . LYS A 1 50 ? 7.628 17.747 -7.330 1.00 0.00 ? 50 LYS A CB 14 ATOM 20552 C CG . LYS A 1 50 ? 8.785 16.815 -7.017 1.00 0.00 ? 50 LYS A CG 14 ATOM 20553 C CD . LYS A 1 50 ? 8.722 15.548 -7.853 1.00 0.00 ? 50 LYS A CD 14 ATOM 20554 C CE . LYS A 1 50 ? 9.283 15.773 -9.249 1.00 0.00 ? 50 LYS A CE 14 ATOM 20555 N NZ . LYS A 1 50 ? 9.277 14.523 -10.058 1.00 0.00 ? 50 LYS A NZ 14 ATOM 20556 H H . LYS A 1 50 ? 6.086 17.590 -5.311 1.00 0.00 ? 50 LYS A H 14 ATOM 20557 H HA . LYS A 1 50 ? 8.413 19.121 -5.889 1.00 0.00 ? 50 LYS A HA 14 ATOM 20558 H HB2 . LYS A 1 50 ? 6.721 17.162 -7.367 1.00 0.00 ? 50 LYS A HB2 14 ATOM 20559 H HB3 . LYS A 1 50 ? 7.801 18.188 -8.301 1.00 0.00 ? 50 LYS A HB3 14 ATOM 20560 H HG2 . LYS A 1 50 ? 9.713 17.325 -7.225 1.00 0.00 ? 50 LYS A HG2 14 ATOM 20561 H HG3 . LYS A 1 50 ? 8.746 16.547 -5.970 1.00 0.00 ? 50 LYS A HG3 14 ATOM 20562 H HD2 . LYS A 1 50 ? 9.299 14.776 -7.366 1.00 0.00 ? 50 LYS A HD2 14 ATOM 20563 H HD3 . LYS A 1 50 ? 7.692 15.232 -7.935 1.00 0.00 ? 50 LYS A HD3 14 ATOM 20564 H HE2 . LYS A 1 50 ? 8.683 16.518 -9.748 1.00 0.00 ? 50 LYS A HE2 14 ATOM 20565 H HE3 . LYS A 1 50 ? 10.299 16.130 -9.161 1.00 0.00 ? 50 LYS A HE3 14 ATOM 20566 H HZ1 . LYS A 1 50 ? 9.077 13.704 -9.448 1.00 0.00 ? 50 LYS A HZ1 14 ATOM 20567 H HZ2 . LYS A 1 50 ? 10.203 14.385 -10.511 1.00 0.00 ? 50 LYS A HZ2 14 ATOM 20568 H HZ3 . LYS A 1 50 ? 8.546 14.578 -10.796 1.00 0.00 ? 50 LYS A HZ3 14 ATOM 20569 N N . LEU A 1 51 ? 5.714 20.552 -6.500 1.00 0.00 ? 51 LEU A N 14 ATOM 20570 C CA . LEU A 1 51 ? 5.054 21.727 -7.059 1.00 0.00 ? 51 LEU A CA 14 ATOM 20571 C C . LEU A 1 51 ? 4.956 22.841 -6.022 1.00 0.00 ? 51 LEU A C 14 ATOM 20572 O O . LEU A 1 51 ? 5.317 23.988 -6.290 1.00 0.00 ? 51 LEU A O 14 ATOM 20573 C CB . LEU A 1 51 ? 3.658 21.359 -7.564 1.00 0.00 ? 51 LEU A CB 14 ATOM 20574 C CG . LEU A 1 51 ? 3.574 20.869 -9.010 1.00 0.00 ? 51 LEU A CG 14 ATOM 20575 C CD1 . LEU A 1 51 ? 4.184 19.482 -9.139 1.00 0.00 ? 51 LEU A CD1 14 ATOM 20576 C CD2 . LEU A 1 51 ? 2.130 20.866 -9.489 1.00 0.00 ? 51 LEU A CD2 14 ATOM 20577 H H . LEU A 1 51 ? 5.296 20.082 -5.749 1.00 0.00 ? 51 LEU A H 14 ATOM 20578 H HA . LEU A 1 51 ? 5.648 22.076 -7.890 1.00 0.00 ? 51 LEU A HA 14 ATOM 20579 H HB2 . LEU A 1 51 ? 3.271 20.578 -6.927 1.00 0.00 ? 51 LEU A HB2 14 ATOM 20580 H HB3 . LEU A 1 51 ? 3.033 22.237 -7.474 1.00 0.00 ? 51 LEU A HB3 14 ATOM 20581 H HG . LEU A 1 51 ? 4.136 21.541 -9.644 1.00 0.00 ? 51 LEU A HG 14 ATOM 20582 H HD11 . LEU A 1 51 ? 5.144 19.464 -8.646 1.00 0.00 ? 51 LEU A HD11 14 ATOM 20583 H HD12 . LEU A 1 51 ? 4.311 19.241 -10.184 1.00 0.00 ? 51 LEU A HD12 14 ATOM 20584 H HD13 . LEU A 1 51 ? 3.529 18.757 -8.680 1.00 0.00 ? 51 LEU A HD13 14 ATOM 20585 H HD21 . LEU A 1 51 ? 2.047 20.256 -10.377 1.00 0.00 ? 51 LEU A HD21 14 ATOM 20586 H HD22 . LEU A 1 51 ? 1.823 21.876 -9.716 1.00 0.00 ? 51 LEU A HD22 14 ATOM 20587 H HD23 . LEU A 1 51 ? 1.495 20.462 -8.715 1.00 0.00 ? 51 LEU A HD23 14 ATOM 20588 N N . THR A 1 52 ? 4.466 22.497 -4.835 1.00 0.00 ? 52 THR A N 14 ATOM 20589 C CA . THR A 1 52 ? 4.320 23.468 -3.758 1.00 0.00 ? 52 THR A CA 14 ATOM 20590 C C . THR A 1 52 ? 5.673 24.038 -3.346 1.00 0.00 ? 52 THR A C 14 ATOM 20591 O O . THR A 1 52 ? 6.615 23.293 -3.079 1.00 0.00 ? 52 THR A O 14 ATOM 20592 C CB . THR A 1 52 ? 3.643 22.840 -2.524 1.00 0.00 ? 52 THR A CB 14 ATOM 20593 O OG1 . THR A 1 52 ? 3.006 23.858 -1.745 1.00 0.00 ? 52 THR A OG1 14 ATOM 20594 C CG2 . THR A 1 52 ? 4.659 22.100 -1.667 1.00 0.00 ? 52 THR A CG2 14 ATOM 20595 H H . THR A 1 52 ? 4.195 21.568 -4.683 1.00 0.00 ? 52 THR A H 14 ATOM 20596 H HA . THR A 1 52 ? 3.695 24.272 -4.116 1.00 0.00 ? 52 THR A HA 14 ATOM 20597 H HB . THR A 1 52 ? 2.897 22.135 -2.862 1.00 0.00 ? 52 THR A HB 14 ATOM 20598 H HG1 . THR A 1 52 ? 2.907 23.554 -0.840 1.00 0.00 ? 52 THR A HG1 14 ATOM 20599 H HG21 . THR A 1 52 ? 5.258 21.456 -2.294 1.00 0.00 ? 52 THR A HG21 14 ATOM 20600 H HG22 . THR A 1 52 ? 4.142 21.506 -0.929 1.00 0.00 ? 52 THR A HG22 14 ATOM 20601 H HG23 . THR A 1 52 ? 5.299 22.814 -1.171 1.00 0.00 ? 52 THR A HG23 14 ATOM 20602 N N . GLU A 1 53 ? 5.760 25.363 -3.296 1.00 0.00 ? 53 GLU A N 14 ATOM 20603 C CA . GLU A 1 53 ? 6.999 26.033 -2.916 1.00 0.00 ? 53 GLU A CA 14 ATOM 20604 C C . GLU A 1 53 ? 7.081 26.208 -1.402 1.00 0.00 ? 53 GLU A C 14 ATOM 20605 O O . GLU A 1 53 ? 8.169 26.233 -0.827 1.00 0.00 ? 53 GLU A O 14 ATOM 20606 C CB . GLU A 1 53 ? 7.101 27.395 -3.605 1.00 0.00 ? 53 GLU A CB 14 ATOM 20607 C CG . GLU A 1 53 ? 6.955 27.326 -5.116 1.00 0.00 ? 53 GLU A CG 14 ATOM 20608 C CD . GLU A 1 53 ? 6.656 28.677 -5.735 1.00 0.00 ? 53 GLU A CD 14 ATOM 20609 O OE1 . GLU A 1 53 ? 7.613 29.441 -5.982 1.00 0.00 ? 53 GLU A OE1 14 ATOM 20610 O OE2 . GLU A 1 53 ? 5.466 28.971 -5.973 1.00 0.00 ? 53 GLU A OE2 14 ATOM 20611 H H . GLU A 1 53 ? 4.974 25.904 -3.520 1.00 0.00 ? 53 GLU A H 14 ATOM 20612 H HA . GLU A 1 53 ? 7.823 25.414 -3.239 1.00 0.00 ? 53 GLU A HA 14 ATOM 20613 H HB2 . GLU A 1 53 ? 6.325 28.040 -3.218 1.00 0.00 ? 53 GLU A HB2 14 ATOM 20614 H HB3 . GLU A 1 53 ? 8.063 27.829 -3.377 1.00 0.00 ? 53 GLU A HB3 14 ATOM 20615 H HG2 . GLU A 1 53 ? 7.875 26.950 -5.536 1.00 0.00 ? 53 GLU A HG2 14 ATOM 20616 H HG3 . GLU A 1 53 ? 6.148 26.650 -5.356 1.00 0.00 ? 53 GLU A HG3 14 ATOM 20617 N N . SER A 1 54 ? 5.921 26.331 -0.763 1.00 0.00 ? 54 SER A N 14 ATOM 20618 C CA . SER A 1 54 ? 5.861 26.508 0.683 1.00 0.00 ? 54 SER A CA 14 ATOM 20619 C C . SER A 1 54 ? 6.545 25.350 1.402 1.00 0.00 ? 54 SER A C 14 ATOM 20620 O O . SER A 1 54 ? 6.565 24.224 0.906 1.00 0.00 ? 54 SER A O 14 ATOM 20621 C CB . SER A 1 54 ? 4.406 26.621 1.143 1.00 0.00 ? 54 SER A CB 14 ATOM 20622 O OG . SER A 1 54 ? 4.318 27.271 2.400 1.00 0.00 ? 54 SER A OG 14 ATOM 20623 H H . SER A 1 54 ? 5.087 26.303 -1.278 1.00 0.00 ? 54 SER A H 14 ATOM 20624 H HA . SER A 1 54 ? 6.378 27.424 0.926 1.00 0.00 ? 54 SER A HA 14 ATOM 20625 H HB2 . SER A 1 54 ? 3.844 27.189 0.418 1.00 0.00 ? 54 SER A HB2 14 ATOM 20626 H HB3 . SER A 1 54 ? 3.982 25.631 1.232 1.00 0.00 ? 54 SER A HB3 14 ATOM 20627 H HG . SER A 1 54 ? 3.525 26.980 2.856 1.00 0.00 ? 54 SER A HG 14 ATOM 20628 N N . GLU A 1 55 ? 7.105 25.637 2.573 1.00 0.00 ? 55 GLU A N 14 ATOM 20629 C CA . GLU A 1 55 ? 7.792 24.619 3.360 1.00 0.00 ? 55 GLU A CA 14 ATOM 20630 C C . GLU A 1 55 ? 6.790 23.714 4.071 1.00 0.00 ? 55 GLU A C 14 ATOM 20631 O O . GLU A 1 55 ? 6.687 22.526 3.766 1.00 0.00 ? 55 GLU A O 14 ATOM 20632 C CB . GLU A 1 55 ? 8.720 25.275 4.384 1.00 0.00 ? 55 GLU A CB 14 ATOM 20633 C CG . GLU A 1 55 ? 9.678 24.302 5.049 1.00 0.00 ? 55 GLU A CG 14 ATOM 20634 C CD . GLU A 1 55 ? 10.387 24.905 6.246 1.00 0.00 ? 55 GLU A CD 14 ATOM 20635 O OE1 . GLU A 1 55 ? 11.450 25.531 6.053 1.00 0.00 ? 55 GLU A OE1 14 ATOM 20636 O OE2 . GLU A 1 55 ? 9.877 24.753 7.376 1.00 0.00 ? 55 GLU A OE2 14 ATOM 20637 H H . GLU A 1 55 ? 7.056 26.554 2.915 1.00 0.00 ? 55 GLU A H 14 ATOM 20638 H HA . GLU A 1 55 ? 8.383 24.020 2.684 1.00 0.00 ? 55 GLU A HA 14 ATOM 20639 H HB2 . GLU A 1 55 ? 9.301 26.039 3.889 1.00 0.00 ? 55 GLU A HB2 14 ATOM 20640 H HB3 . GLU A 1 55 ? 8.118 25.736 5.154 1.00 0.00 ? 55 GLU A HB3 14 ATOM 20641 H HG2 . GLU A 1 55 ? 9.122 23.437 5.378 1.00 0.00 ? 55 GLU A HG2 14 ATOM 20642 H HG3 . GLU A 1 55 ? 10.420 23.997 4.326 1.00 0.00 ? 55 GLU A HG3 14 ATOM 20643 N N . GLN A 1 56 ? 6.056 24.285 5.021 1.00 0.00 ? 56 GLN A N 14 ATOM 20644 C CA . GLN A 1 56 ? 5.064 23.529 5.776 1.00 0.00 ? 56 GLN A CA 14 ATOM 20645 C C . GLN A 1 56 ? 4.378 22.494 4.891 1.00 0.00 ? 56 GLN A C 14 ATOM 20646 O O . GLN A 1 56 ? 4.462 21.292 5.145 1.00 0.00 ? 56 GLN A O 14 ATOM 20647 C CB . GLN A 1 56 ? 4.022 24.474 6.377 1.00 0.00 ? 56 GLN A CB 14 ATOM 20648 C CG . GLN A 1 56 ? 3.463 23.995 7.708 1.00 0.00 ? 56 GLN A CG 14 ATOM 20649 C CD . GLN A 1 56 ? 4.250 24.518 8.893 1.00 0.00 ? 56 GLN A CD 14 ATOM 20650 O OE1 . GLN A 1 56 ? 4.714 25.658 8.891 1.00 0.00 ? 56 GLN A OE1 14 ATOM 20651 N NE2 . GLN A 1 56 ? 4.404 23.684 9.915 1.00 0.00 ? 56 GLN A NE2 14 ATOM 20652 H H . GLN A 1 56 ? 6.185 25.235 5.218 1.00 0.00 ? 56 GLN A H 14 ATOM 20653 H HA . GLN A 1 56 ? 5.576 23.017 6.577 1.00 0.00 ? 56 GLN A HA 14 ATOM 20654 H HB2 . GLN A 1 56 ? 4.476 25.442 6.529 1.00 0.00 ? 56 GLN A HB2 14 ATOM 20655 H HB3 . GLN A 1 56 ? 3.201 24.575 5.682 1.00 0.00 ? 56 GLN A HB3 14 ATOM 20656 H HG2 . GLN A 1 56 ? 2.441 24.334 7.797 1.00 0.00 ? 56 GLN A HG2 14 ATOM 20657 H HG3 . GLN A 1 56 ? 3.486 22.916 7.726 1.00 0.00 ? 56 GLN A HG3 14 ATOM 20658 H HE21 . GLN A 1 56 ? 4.008 22.790 9.847 1.00 0.00 ? 56 GLN A HE21 14 ATOM 20659 H HE22 . GLN A 1 56 ? 4.909 23.995 10.694 1.00 0.00 ? 56 GLN A HE22 14 ATOM 20660 N N . ALA A 1 57 ? 3.700 22.968 3.851 1.00 0.00 ? 57 ALA A N 14 ATOM 20661 C CA . ALA A 1 57 ? 3.001 22.083 2.927 1.00 0.00 ? 57 ALA A CA 14 ATOM 20662 C C . ALA A 1 57 ? 3.869 20.886 2.551 1.00 0.00 ? 57 ALA A C 14 ATOM 20663 O O . ALA A 1 57 ? 3.461 19.736 2.713 1.00 0.00 ? 57 ALA A O 14 ATOM 20664 C CB . ALA A 1 57 ? 2.583 22.847 1.680 1.00 0.00 ? 57 ALA A CB 14 ATOM 20665 H H . ALA A 1 57 ? 3.670 23.935 3.701 1.00 0.00 ? 57 ALA A H 14 ATOM 20666 H HA . ALA A 1 57 ? 2.107 21.726 3.418 1.00 0.00 ? 57 ALA A HA 14 ATOM 20667 H HB1 . ALA A 1 57 ? 1.676 23.397 1.884 1.00 0.00 ? 57 ALA A HB1 14 ATOM 20668 H HB2 . ALA A 1 57 ? 3.366 23.534 1.399 1.00 0.00 ? 57 ALA A HB2 14 ATOM 20669 H HB3 . ALA A 1 57 ? 2.408 22.150 0.873 1.00 0.00 ? 57 ALA A HB3 14 ATOM 20670 N N . HIS A 1 58 ? 5.067 21.165 2.047 1.00 0.00 ? 58 HIS A N 14 ATOM 20671 C CA . HIS A 1 58 ? 5.992 20.111 1.647 1.00 0.00 ? 58 HIS A CA 14 ATOM 20672 C C . HIS A 1 58 ? 6.256 19.152 2.804 1.00 0.00 ? 58 HIS A C 14 ATOM 20673 O O . HIS A 1 58 ? 6.233 17.933 2.632 1.00 0.00 ? 58 HIS A O 14 ATOM 20674 C CB . HIS A 1 58 ? 7.309 20.716 1.161 1.00 0.00 ? 58 HIS A CB 14 ATOM 20675 C CG . HIS A 1 58 ? 8.365 19.696 0.867 1.00 0.00 ? 58 HIS A CG 14 ATOM 20676 N ND1 . HIS A 1 58 ? 8.856 18.826 1.817 1.00 0.00 ? 58 HIS A ND1 14 ATOM 20677 C CD2 . HIS A 1 58 ? 9.023 19.408 -0.280 1.00 0.00 ? 58 HIS A CD2 14 ATOM 20678 C CE1 . HIS A 1 58 ? 9.772 18.048 1.268 1.00 0.00 ? 58 HIS A CE1 14 ATOM 20679 N NE2 . HIS A 1 58 ? 9.892 18.381 -0.005 1.00 0.00 ? 58 HIS A NE2 14 ATOM 20680 H H . HIS A 1 58 ? 5.335 22.102 1.942 1.00 0.00 ? 58 HIS A H 14 ATOM 20681 H HA . HIS A 1 58 ? 5.538 19.561 0.837 1.00 0.00 ? 58 HIS A HA 14 ATOM 20682 H HB2 . HIS A 1 58 ? 7.128 21.275 0.255 1.00 0.00 ? 58 HIS A HB2 14 ATOM 20683 H HB3 . HIS A 1 58 ? 7.693 21.384 1.919 1.00 0.00 ? 58 HIS A HB3 14 ATOM 20684 H HD1 . HIS A 1 58 ? 8.577 18.786 2.755 1.00 0.00 ? 58 HIS A HD1 14 ATOM 20685 H HD2 . HIS A 1 58 ? 8.891 19.896 -1.236 1.00 0.00 ? 58 HIS A HD2 14 ATOM 20686 H HE1 . HIS A 1 58 ? 10.328 17.272 1.773 1.00 0.00 ? 58 HIS A HE1 14 ATOM 20687 H HE2 . HIS A 1 58 ? 10.562 18.019 -0.621 1.00 0.00 ? 58 HIS A HE2 14 ATOM 20688 N N . LEU A 1 59 ? 6.508 19.711 3.983 1.00 0.00 ? 59 LEU A N 14 ATOM 20689 C CA . LEU A 1 59 ? 6.778 18.905 5.169 1.00 0.00 ? 59 LEU A CA 14 ATOM 20690 C C . LEU A 1 59 ? 5.613 17.966 5.466 1.00 0.00 ? 59 LEU A C 14 ATOM 20691 O O . LEU A 1 59 ? 5.813 16.796 5.792 1.00 0.00 ? 59 LEU A O 14 ATOM 20692 C CB . LEU A 1 59 ? 7.038 19.809 6.375 1.00 0.00 ? 59 LEU A CB 14 ATOM 20693 C CG . LEU A 1 59 ? 8.494 20.216 6.607 1.00 0.00 ? 59 LEU A CG 14 ATOM 20694 C CD1 . LEU A 1 59 ? 9.128 20.691 5.309 1.00 0.00 ? 59 LEU A CD1 14 ATOM 20695 C CD2 . LEU A 1 59 ? 8.582 21.299 7.673 1.00 0.00 ? 59 LEU A CD2 14 ATOM 20696 H H . LEU A 1 59 ? 6.513 20.687 4.059 1.00 0.00 ? 59 LEU A H 14 ATOM 20697 H HA . LEU A 1 59 ? 7.660 18.314 4.975 1.00 0.00 ? 59 LEU A HA 14 ATOM 20698 H HB2 . LEU A 1 59 ? 6.460 20.711 6.243 1.00 0.00 ? 59 LEU A HB2 14 ATOM 20699 H HB3 . LEU A 1 59 ? 6.694 19.289 7.258 1.00 0.00 ? 59 LEU A HB3 14 ATOM 20700 H HG . LEU A 1 59 ? 9.050 19.357 6.955 1.00 0.00 ? 59 LEU A HG 14 ATOM 20701 H HD11 . LEU A 1 59 ? 8.478 21.409 4.832 1.00 0.00 ? 59 LEU A HD11 14 ATOM 20702 H HD12 . LEU A 1 59 ? 9.277 19.848 4.652 1.00 0.00 ? 59 LEU A HD12 14 ATOM 20703 H HD13 . LEU A 1 59 ? 10.081 21.154 5.523 1.00 0.00 ? 59 LEU A HD13 14 ATOM 20704 H HD21 . LEU A 1 59 ? 9.400 21.964 7.443 1.00 0.00 ? 59 LEU A HD21 14 ATOM 20705 H HD22 . LEU A 1 59 ? 8.751 20.841 8.637 1.00 0.00 ? 59 LEU A HD22 14 ATOM 20706 H HD23 . LEU A 1 59 ? 7.658 21.857 7.696 1.00 0.00 ? 59 LEU A HD23 14 ATOM 20707 N N . SER A 1 60 ? 4.395 18.486 5.348 1.00 0.00 ? 60 SER A N 14 ATOM 20708 C CA . SER A 1 60 ? 3.198 17.694 5.605 1.00 0.00 ? 60 SER A CA 14 ATOM 20709 C C . SER A 1 60 ? 3.125 16.497 4.662 1.00 0.00 ? 60 SER A C 14 ATOM 20710 O O . SER A 1 60 ? 2.460 15.502 4.953 1.00 0.00 ? 60 SER A O 14 ATOM 20711 C CB . SER A 1 60 ? 1.946 18.559 5.447 1.00 0.00 ? 60 SER A CB 14 ATOM 20712 O OG . SER A 1 60 ? 1.704 19.325 6.614 1.00 0.00 ? 60 SER A OG 14 ATOM 20713 H H . SER A 1 60 ? 4.300 19.425 5.084 1.00 0.00 ? 60 SER A H 14 ATOM 20714 H HA . SER A 1 60 ? 3.250 17.334 6.622 1.00 0.00 ? 60 SER A HA 14 ATOM 20715 H HB2 . SER A 1 60 ? 2.077 19.229 4.612 1.00 0.00 ? 60 SER A HB2 14 ATOM 20716 H HB3 . SER A 1 60 ? 1.092 17.921 5.266 1.00 0.00 ? 60 SER A HB3 14 ATOM 20717 H HG . SER A 1 60 ? 1.838 20.256 6.420 1.00 0.00 ? 60 SER A HG 14 ATOM 20718 N N . LEU A 1 61 ? 3.815 16.600 3.531 1.00 0.00 ? 61 LEU A N 14 ATOM 20719 C CA . LEU A 1 61 ? 3.830 15.527 2.544 1.00 0.00 ? 61 LEU A CA 14 ATOM 20720 C C . LEU A 1 61 ? 5.025 14.604 2.761 1.00 0.00 ? 61 LEU A C 14 ATOM 20721 O O . LEU A 1 61 ? 4.863 13.404 2.976 1.00 0.00 ? 61 LEU A O 14 ATOM 20722 C CB . LEU A 1 61 ? 3.871 16.108 1.130 1.00 0.00 ? 61 LEU A CB 14 ATOM 20723 C CG . LEU A 1 61 ? 2.763 17.104 0.782 1.00 0.00 ? 61 LEU A CG 14 ATOM 20724 C CD1 . LEU A 1 61 ? 3.130 17.896 -0.464 1.00 0.00 ? 61 LEU A CD1 14 ATOM 20725 C CD2 . LEU A 1 61 ? 1.438 16.381 0.586 1.00 0.00 ? 61 LEU A CD2 14 ATOM 20726 H H . LEU A 1 61 ? 4.326 17.417 3.355 1.00 0.00 ? 61 LEU A H 14 ATOM 20727 H HA . LEU A 1 61 ? 2.923 14.954 2.663 1.00 0.00 ? 61 LEU A HA 14 ATOM 20728 H HB2 . LEU A 1 61 ? 4.817 16.611 1.006 1.00 0.00 ? 61 LEU A HB2 14 ATOM 20729 H HB3 . LEU A 1 61 ? 3.808 15.285 0.432 1.00 0.00 ? 61 LEU A HB3 14 ATOM 20730 H HG . LEU A 1 61 ? 2.647 17.803 1.598 1.00 0.00 ? 61 LEU A HG 14 ATOM 20731 H HD11 . LEU A 1 61 ? 3.748 18.736 -0.188 1.00 0.00 ? 61 LEU A HD11 14 ATOM 20732 H HD12 . LEU A 1 61 ? 2.229 18.253 -0.941 1.00 0.00 ? 61 LEU A HD12 14 ATOM 20733 H HD13 . LEU A 1 61 ? 3.671 17.259 -1.149 1.00 0.00 ? 61 LEU A HD13 14 ATOM 20734 H HD21 . LEU A 1 61 ? 1.619 15.416 0.137 1.00 0.00 ? 61 LEU A HD21 14 ATOM 20735 H HD22 . LEU A 1 61 ? 0.802 16.966 -0.062 1.00 0.00 ? 61 LEU A HD22 14 ATOM 20736 H HD23 . LEU A 1 61 ? 0.956 16.249 1.543 1.00 0.00 ? 61 LEU A HD23 14 ATOM 20737 N N . GLU A 1 62 ? 6.225 15.175 2.704 1.00 0.00 ? 62 GLU A N 14 ATOM 20738 C CA . GLU A 1 62 ? 7.447 14.403 2.896 1.00 0.00 ? 62 GLU A CA 14 ATOM 20739 C C . GLU A 1 62 ? 7.270 13.371 4.006 1.00 0.00 ? 62 GLU A C 14 ATOM 20740 O O . GLU A 1 62 ? 7.926 12.328 4.011 1.00 0.00 ? 62 GLU A O 14 ATOM 20741 C CB . GLU A 1 62 ? 8.616 15.332 3.230 1.00 0.00 ? 62 GLU A CB 14 ATOM 20742 C CG . GLU A 1 62 ? 8.713 15.683 4.705 1.00 0.00 ? 62 GLU A CG 14 ATOM 20743 C CD . GLU A 1 62 ? 9.946 16.504 5.029 1.00 0.00 ? 62 GLU A CD 14 ATOM 20744 O OE1 . GLU A 1 62 ? 10.018 17.668 4.586 1.00 0.00 ? 62 GLU A OE1 14 ATOM 20745 O OE2 . GLU A 1 62 ? 10.839 15.980 5.728 1.00 0.00 ? 62 GLU A OE2 14 ATOM 20746 H H . GLU A 1 62 ? 6.289 16.137 2.529 1.00 0.00 ? 62 GLU A H 14 ATOM 20747 H HA . GLU A 1 62 ? 7.662 13.887 1.972 1.00 0.00 ? 62 GLU A HA 14 ATOM 20748 H HB2 . GLU A 1 62 ? 9.538 14.852 2.933 1.00 0.00 ? 62 GLU A HB2 14 ATOM 20749 H HB3 . GLU A 1 62 ? 8.503 16.248 2.670 1.00 0.00 ? 62 GLU A HB3 14 ATOM 20750 H HG2 . GLU A 1 62 ? 7.838 16.250 4.985 1.00 0.00 ? 62 GLU A HG2 14 ATOM 20751 H HG3 . GLU A 1 62 ? 8.746 14.768 5.278 1.00 0.00 ? 62 GLU A HG3 14 ATOM 20752 N N . LEU A 1 63 ? 6.380 13.669 4.946 1.00 0.00 ? 63 LEU A N 14 ATOM 20753 C CA . LEU A 1 63 ? 6.116 12.768 6.063 1.00 0.00 ? 63 LEU A CA 14 ATOM 20754 C C . LEU A 1 63 ? 5.150 11.661 5.653 1.00 0.00 ? 63 LEU A C 14 ATOM 20755 O O . LEU A 1 63 ? 5.404 10.482 5.894 1.00 0.00 ? 63 LEU A O 14 ATOM 20756 C CB . LEU A 1 63 ? 5.544 13.548 7.248 1.00 0.00 ? 63 LEU A CB 14 ATOM 20757 C CG . LEU A 1 63 ? 6.506 14.509 7.946 1.00 0.00 ? 63 LEU A CG 14 ATOM 20758 C CD1 . LEU A 1 63 ? 5.735 15.586 8.695 1.00 0.00 ? 63 LEU A CD1 14 ATOM 20759 C CD2 . LEU A 1 63 ? 7.423 13.751 8.895 1.00 0.00 ? 63 LEU A CD2 14 ATOM 20760 H H . LEU A 1 63 ? 5.888 14.514 4.889 1.00 0.00 ? 63 LEU A H 14 ATOM 20761 H HA . LEU A 1 63 ? 7.054 12.320 6.356 1.00 0.00 ? 63 LEU A HA 14 ATOM 20762 H HB2 . LEU A 1 63 ? 4.703 14.122 6.891 1.00 0.00 ? 63 LEU A HB2 14 ATOM 20763 H HB3 . LEU A 1 63 ? 5.202 12.830 7.981 1.00 0.00 ? 63 LEU A HB3 14 ATOM 20764 H HG . LEU A 1 63 ? 7.121 14.996 7.202 1.00 0.00 ? 63 LEU A HG 14 ATOM 20765 H HD11 . LEU A 1 63 ? 5.163 16.172 7.992 1.00 0.00 ? 63 LEU A HD11 14 ATOM 20766 H HD12 . LEU A 1 63 ? 6.429 16.227 9.218 1.00 0.00 ? 63 LEU A HD12 14 ATOM 20767 H HD13 . LEU A 1 63 ? 5.068 15.122 9.406 1.00 0.00 ? 63 LEU A HD13 14 ATOM 20768 H HD21 . LEU A 1 63 ? 8.352 14.292 9.005 1.00 0.00 ? 63 LEU A HD21 14 ATOM 20769 H HD22 . LEU A 1 63 ? 7.625 12.769 8.492 1.00 0.00 ? 63 LEU A HD22 14 ATOM 20770 H HD23 . LEU A 1 63 ? 6.945 13.655 9.858 1.00 0.00 ? 63 LEU A HD23 14 ATOM 20771 N N . GLN A 1 64 ? 4.041 12.051 5.031 1.00 0.00 ? 64 GLN A N 14 ATOM 20772 C CA . GLN A 1 64 ? 3.038 11.091 4.587 1.00 0.00 ? 64 GLN A CA 14 ATOM 20773 C C . GLN A 1 64 ? 3.668 10.009 3.716 1.00 0.00 ? 64 GLN A C 14 ATOM 20774 O O . GLN A 1 64 ? 3.220 8.862 3.713 1.00 0.00 ? 64 GLN A O 14 ATOM 20775 C CB . GLN A 1 64 ? 1.928 11.803 3.812 1.00 0.00 ? 64 GLN A CB 14 ATOM 20776 C CG . GLN A 1 64 ? 0.596 11.071 3.845 1.00 0.00 ? 64 GLN A CG 14 ATOM 20777 C CD . GLN A 1 64 ? 0.024 10.963 5.245 1.00 0.00 ? 64 GLN A CD 14 ATOM 20778 O OE1 . GLN A 1 64 ? 0.144 9.926 5.898 1.00 0.00 ? 64 GLN A OE1 14 ATOM 20779 N NE2 . GLN A 1 64 ? -0.602 12.036 5.713 1.00 0.00 ? 64 GLN A NE2 14 ATOM 20780 H H . GLN A 1 64 ? 3.895 13.005 4.868 1.00 0.00 ? 64 GLN A H 14 ATOM 20781 H HA . GLN A 1 64 ? 2.612 10.627 5.463 1.00 0.00 ? 64 GLN A HA 14 ATOM 20782 H HB2 . GLN A 1 64 ? 1.784 12.787 4.235 1.00 0.00 ? 64 GLN A HB2 14 ATOM 20783 H HB3 . GLN A 1 64 ? 2.233 11.905 2.781 1.00 0.00 ? 64 GLN A HB3 14 ATOM 20784 H HG2 . GLN A 1 64 ? -0.109 11.604 3.225 1.00 0.00 ? 64 GLN A HG2 14 ATOM 20785 H HG3 . GLN A 1 64 ? 0.738 10.075 3.452 1.00 0.00 ? 64 GLN A HG3 14 ATOM 20786 H HE21 . GLN A 1 64 ? -0.660 12.826 5.136 1.00 0.00 ? 64 GLN A HE21 14 ATOM 20787 H HE22 . GLN A 1 64 ? -0.982 11.993 6.615 1.00 0.00 ? 64 GLN A HE22 14 ATOM 20788 N N . ARG A 1 65 ? 4.708 10.381 2.978 1.00 0.00 ? 65 ARG A N 14 ATOM 20789 C CA . ARG A 1 65 ? 5.399 9.443 2.101 1.00 0.00 ? 65 ARG A CA 14 ATOM 20790 C C . ARG A 1 65 ? 6.031 8.311 2.907 1.00 0.00 ? 65 ARG A C 14 ATOM 20791 O O . ARG A 1 65 ? 5.907 7.139 2.553 1.00 0.00 ? 65 ARG A O 14 ATOM 20792 C CB . ARG A 1 65 ? 6.473 10.167 1.289 1.00 0.00 ? 65 ARG A CB 14 ATOM 20793 C CG . ARG A 1 65 ? 6.726 9.547 -0.076 1.00 0.00 ? 65 ARG A CG 14 ATOM 20794 C CD . ARG A 1 65 ? 7.888 10.222 -0.788 1.00 0.00 ? 65 ARG A CD 14 ATOM 20795 N NE . ARG A 1 65 ? 9.138 10.086 -0.046 1.00 0.00 ? 65 ARG A NE 14 ATOM 20796 C CZ . ARG A 1 65 ? 9.510 10.914 0.925 1.00 0.00 ? 65 ARG A CZ 14 ATOM 20797 N NH1 . ARG A 1 65 ? 8.732 11.931 1.268 1.00 0.00 ? 65 ARG A NH1 14 ATOM 20798 N NH2 . ARG A 1 65 ? 10.663 10.725 1.554 1.00 0.00 ? 65 ARG A NH2 14 ATOM 20799 H H . ARG A 1 65 ? 5.019 11.310 3.023 1.00 0.00 ? 65 ARG A H 14 ATOM 20800 H HA . ARG A 1 65 ? 4.670 9.023 1.425 1.00 0.00 ? 65 ARG A HA 14 ATOM 20801 H HB2 . ARG A 1 65 ? 6.168 11.193 1.142 1.00 0.00 ? 65 ARG A HB2 14 ATOM 20802 H HB3 . ARG A 1 65 ? 7.399 10.151 1.844 1.00 0.00 ? 65 ARG A HB3 14 ATOM 20803 H HG2 . ARG A 1 65 ? 6.956 8.499 0.052 1.00 0.00 ? 65 ARG A HG2 14 ATOM 20804 H HG3 . ARG A 1 65 ? 5.836 9.651 -0.678 1.00 0.00 ? 65 ARG A HG3 14 ATOM 20805 H HD2 . ARG A 1 65 ? 8.008 9.770 -1.761 1.00 0.00 ? 65 ARG A HD2 14 ATOM 20806 H HD3 . ARG A 1 65 ? 7.660 11.271 -0.904 1.00 0.00 ? 65 ARG A HD3 14 ATOM 20807 H HE . ARG A 1 65 ? 9.728 9.342 -0.283 1.00 0.00 ? 65 ARG A HE 14 ATOM 20808 H HH11 . ARG A 1 65 ? 7.862 12.075 0.796 1.00 0.00 ? 65 ARG A HH11 14 ATOM 20809 H HH12 . ARG A 1 65 ? 9.013 12.552 1.999 1.00 0.00 ? 65 ARG A HH12 14 ATOM 20810 H HH21 . ARG A 1 65 ? 11.252 9.959 1.298 1.00 0.00 ? 65 ARG A HH21 14 ATOM 20811 H HH22 . ARG A 1 65 ? 10.942 11.348 2.284 1.00 0.00 ? 65 ARG A HH22 14 ATOM 20812 N N . ASP A 1 66 ? 6.709 8.671 3.991 1.00 0.00 ? 66 ASP A N 14 ATOM 20813 C CA . ASP A 1 66 ? 7.361 7.687 4.847 1.00 0.00 ? 66 ASP A CA 14 ATOM 20814 C C . ASP A 1 66 ? 6.516 6.422 4.962 1.00 0.00 ? 66 ASP A C 14 ATOM 20815 O O . ASP A 1 66 ? 6.884 5.369 4.443 1.00 0.00 ? 66 ASP A O 14 ATOM 20816 C CB . ASP A 1 66 ? 7.612 8.275 6.236 1.00 0.00 ? 66 ASP A CB 14 ATOM 20817 C CG . ASP A 1 66 ? 8.117 7.238 7.221 1.00 0.00 ? 66 ASP A CG 14 ATOM 20818 O OD1 . ASP A 1 66 ? 8.694 6.226 6.772 1.00 0.00 ? 66 ASP A OD1 14 ATOM 20819 O OD2 . ASP A 1 66 ? 7.935 7.439 8.440 1.00 0.00 ? 66 ASP A OD2 14 ATOM 20820 H H . ASP A 1 66 ? 6.773 9.622 4.221 1.00 0.00 ? 66 ASP A H 14 ATOM 20821 H HA . ASP A 1 66 ? 8.309 7.432 4.397 1.00 0.00 ? 66 ASP A HA 14 ATOM 20822 H HB2 . ASP A 1 66 ? 8.350 9.061 6.160 1.00 0.00 ? 66 ASP A HB2 14 ATOM 20823 H HB3 . ASP A 1 66 ? 6.690 8.688 6.617 1.00 0.00 ? 66 ASP A HB3 14 ATOM 20824 N N . SER A 1 67 ? 5.381 6.534 5.645 1.00 0.00 ? 67 SER A N 14 ATOM 20825 C CA . SER A 1 67 ? 4.486 5.399 5.833 1.00 0.00 ? 67 SER A CA 14 ATOM 20826 C C . SER A 1 67 ? 4.171 4.730 4.498 1.00 0.00 ? 67 SER A C 14 ATOM 20827 O O . SER A 1 67 ? 4.433 3.542 4.308 1.00 0.00 ? 67 SER A O 14 ATOM 20828 C CB . SER A 1 67 ? 3.190 5.850 6.509 1.00 0.00 ? 67 SER A CB 14 ATOM 20829 O OG . SER A 1 67 ? 3.448 6.404 7.787 1.00 0.00 ? 67 SER A OG 14 ATOM 20830 H H . SER A 1 67 ? 5.143 7.401 6.036 1.00 0.00 ? 67 SER A H 14 ATOM 20831 H HA . SER A 1 67 ? 4.986 4.684 6.470 1.00 0.00 ? 67 SER A HA 14 ATOM 20832 H HB2 . SER A 1 67 ? 2.709 6.597 5.896 1.00 0.00 ? 67 SER A HB2 14 ATOM 20833 H HB3 . SER A 1 67 ? 2.533 5.000 6.624 1.00 0.00 ? 67 SER A HB3 14 ATOM 20834 H HG . SER A 1 67 ? 2.771 6.117 8.404 1.00 0.00 ? 67 SER A HG 14 ATOM 20835 N N . HIS A 1 68 ? 3.605 5.502 3.575 1.00 0.00 ? 68 HIS A N 14 ATOM 20836 C CA . HIS A 1 68 ? 3.254 4.986 2.257 1.00 0.00 ? 68 HIS A CA 14 ATOM 20837 C C . HIS A 1 68 ? 4.313 4.010 1.756 1.00 0.00 ? 68 HIS A C 14 ATOM 20838 O O . HIS A 1 68 ? 4.021 3.117 0.960 1.00 0.00 ? 68 HIS A O 14 ATOM 20839 C CB . HIS A 1 68 ? 3.092 6.136 1.263 1.00 0.00 ? 68 HIS A CB 14 ATOM 20840 C CG . HIS A 1 68 ? 1.722 6.742 1.266 1.00 0.00 ? 68 HIS A CG 14 ATOM 20841 N ND1 . HIS A 1 68 ? 0.587 6.037 0.925 1.00 0.00 ? 68 HIS A ND1 14 ATOM 20842 C CD2 . HIS A 1 68 ? 1.308 7.994 1.572 1.00 0.00 ? 68 HIS A CD2 14 ATOM 20843 C CE1 . HIS A 1 68 ? -0.466 6.830 1.020 1.00 0.00 ? 68 HIS A CE1 14 ATOM 20844 N NE2 . HIS A 1 68 ? -0.055 8.023 1.411 1.00 0.00 ? 68 HIS A NE2 14 ATOM 20845 H H . HIS A 1 68 ? 3.421 6.441 3.786 1.00 0.00 ? 68 HIS A H 14 ATOM 20846 H HA . HIS A 1 68 ? 2.313 4.463 2.346 1.00 0.00 ? 68 HIS A HA 14 ATOM 20847 H HB2 . HIS A 1 68 ? 3.799 6.915 1.505 1.00 0.00 ? 68 HIS A HB2 14 ATOM 20848 H HB3 . HIS A 1 68 ? 3.292 5.772 0.265 1.00 0.00 ? 68 HIS A HB3 14 ATOM 20849 H HD1 . HIS A 1 68 ? 0.557 5.097 0.652 1.00 0.00 ? 68 HIS A HD1 14 ATOM 20850 H HD2 . HIS A 1 68 ? 1.934 8.818 1.884 1.00 0.00 ? 68 HIS A HD2 14 ATOM 20851 H HE1 . HIS A 1 68 ? -1.488 6.551 0.814 1.00 0.00 ? 68 HIS A HE1 14 ATOM 20852 H HE2 . HIS A 1 68 ? -0.621 8.820 1.478 1.00 0.00 ? 68 HIS A HE2 14 ATOM 20853 N N . MET A 1 69 ? 5.544 4.186 2.226 1.00 0.00 ? 69 MET A N 14 ATOM 20854 C CA . MET A 1 69 ? 6.646 3.320 1.825 1.00 0.00 ? 69 MET A CA 14 ATOM 20855 C C . MET A 1 69 ? 6.877 2.221 2.857 1.00 0.00 ? 69 MET A C 14 ATOM 20856 O O . MET A 1 69 ? 7.147 1.072 2.507 1.00 0.00 ? 69 MET A O 14 ATOM 20857 C CB . MET A 1 69 ? 7.925 4.139 1.640 1.00 0.00 ? 69 MET A CB 14 ATOM 20858 C CG . MET A 1 69 ? 7.942 4.958 0.359 1.00 0.00 ? 69 MET A CG 14 ATOM 20859 S SD . MET A 1 69 ? 8.706 4.079 -1.017 1.00 0.00 ? 69 MET A SD 14 ATOM 20860 C CE . MET A 1 69 ? 8.051 2.430 -0.772 1.00 0.00 ? 69 MET A CE 14 ATOM 20861 H H . MET A 1 69 ? 5.715 4.916 2.858 1.00 0.00 ? 69 MET A H 14 ATOM 20862 H HA . MET A 1 69 ? 6.382 2.863 0.883 1.00 0.00 ? 69 MET A HA 14 ATOM 20863 H HB2 . MET A 1 69 ? 8.030 4.815 2.475 1.00 0.00 ? 69 MET A HB2 14 ATOM 20864 H HB3 . MET A 1 69 ? 8.770 3.467 1.622 1.00 0.00 ? 69 MET A HB3 14 ATOM 20865 H HG2 . MET A 1 69 ? 6.925 5.203 0.090 1.00 0.00 ? 69 MET A HG2 14 ATOM 20866 H HG3 . MET A 1 69 ? 8.494 5.869 0.539 1.00 0.00 ? 69 MET A HG3 14 ATOM 20867 H HE1 . MET A 1 69 ? 8.225 2.122 0.248 1.00 0.00 ? 69 MET A HE1 14 ATOM 20868 H HE2 . MET A 1 69 ? 6.990 2.432 -0.972 1.00 0.00 ? 69 MET A HE2 14 ATOM 20869 H HE3 . MET A 1 69 ? 8.544 1.744 -1.445 1.00 0.00 ? 69 MET A HE3 14 ATOM 20870 N N . LYS A 1 70 ? 6.770 2.581 4.132 1.00 0.00 ? 70 LYS A N 14 ATOM 20871 C CA . LYS A 1 70 ? 6.966 1.626 5.216 1.00 0.00 ? 70 LYS A CA 14 ATOM 20872 C C . LYS A 1 70 ? 6.084 0.396 5.024 1.00 0.00 ? 70 LYS A C 14 ATOM 20873 O O . LYS A 1 70 ? 6.509 -0.729 5.284 1.00 0.00 ? 70 LYS A O 14 ATOM 20874 C CB . LYS A 1 70 ? 6.658 2.283 6.564 1.00 0.00 ? 70 LYS A CB 14 ATOM 20875 C CG . LYS A 1 70 ? 5.214 2.117 7.005 1.00 0.00 ? 70 LYS A CG 14 ATOM 20876 C CD . LYS A 1 70 ? 4.969 2.758 8.361 1.00 0.00 ? 70 LYS A CD 14 ATOM 20877 C CE . LYS A 1 70 ? 5.588 1.940 9.484 1.00 0.00 ? 70 LYS A CE 14 ATOM 20878 N NZ . LYS A 1 70 ? 5.832 2.763 10.700 1.00 0.00 ? 70 LYS A NZ 14 ATOM 20879 H H . LYS A 1 70 ? 6.553 3.512 4.349 1.00 0.00 ? 70 LYS A H 14 ATOM 20880 H HA . LYS A 1 70 ? 8.001 1.318 5.204 1.00 0.00 ? 70 LYS A HA 14 ATOM 20881 H HB2 . LYS A 1 70 ? 7.296 1.845 7.318 1.00 0.00 ? 70 LYS A HB2 14 ATOM 20882 H HB3 . LYS A 1 70 ? 6.872 3.340 6.493 1.00 0.00 ? 70 LYS A HB3 14 ATOM 20883 H HG2 . LYS A 1 70 ? 4.569 2.584 6.276 1.00 0.00 ? 70 LYS A HG2 14 ATOM 20884 H HG3 . LYS A 1 70 ? 4.985 1.063 7.068 1.00 0.00 ? 70 LYS A HG3 14 ATOM 20885 H HD2 . LYS A 1 70 ? 5.406 3.745 8.368 1.00 0.00 ? 70 LYS A HD2 14 ATOM 20886 H HD3 . LYS A 1 70 ? 3.903 2.832 8.526 1.00 0.00 ? 70 LYS A HD3 14 ATOM 20887 H HE2 . LYS A 1 70 ? 4.917 1.132 9.735 1.00 0.00 ? 70 LYS A HE2 14 ATOM 20888 H HE3 . LYS A 1 70 ? 6.527 1.533 9.140 1.00 0.00 ? 70 LYS A HE3 14 ATOM 20889 H HZ1 . LYS A 1 70 ? 6.319 3.646 10.442 1.00 0.00 ? 70 LYS A HZ1 14 ATOM 20890 H HZ2 . LYS A 1 70 ? 6.426 2.239 11.374 1.00 0.00 ? 70 LYS A HZ2 14 ATOM 20891 H HZ3 . LYS A 1 70 ? 4.930 2.999 11.160 1.00 0.00 ? 70 LYS A HZ3 14 ATOM 20892 N N . GLN A 1 71 ? 4.856 0.620 4.567 1.00 0.00 ? 71 GLN A N 14 ATOM 20893 C CA . GLN A 1 71 ? 3.916 -0.471 4.341 1.00 0.00 ? 71 GLN A CA 14 ATOM 20894 C C . GLN A 1 71 ? 4.357 -1.334 3.164 1.00 0.00 ? 71 GLN A C 14 ATOM 20895 O O . GLN A 1 71 ? 4.261 -2.562 3.210 1.00 0.00 ? 71 GLN A O 14 ATOM 20896 C CB . GLN A 1 71 ? 2.513 0.082 4.084 1.00 0.00 ? 71 GLN A CB 14 ATOM 20897 C CG . GLN A 1 71 ? 1.734 0.377 5.356 1.00 0.00 ? 71 GLN A CG 14 ATOM 20898 C CD . GLN A 1 71 ? 0.923 -0.812 5.833 1.00 0.00 ? 71 GLN A CD 14 ATOM 20899 O OE1 . GLN A 1 71 ? -0.264 -0.930 5.530 1.00 0.00 ? 71 GLN A OE1 14 ATOM 20900 N NE2 . GLN A 1 71 ? 1.563 -1.702 6.583 1.00 0.00 ? 71 GLN A NE2 14 ATOM 20901 H H . GLN A 1 71 ? 4.577 1.540 4.379 1.00 0.00 ? 71 GLN A H 14 ATOM 20902 H HA . GLN A 1 71 ? 3.895 -1.081 5.231 1.00 0.00 ? 71 GLN A HA 14 ATOM 20903 H HB2 . GLN A 1 71 ? 2.598 0.998 3.519 1.00 0.00 ? 71 GLN A HB2 14 ATOM 20904 H HB3 . GLN A 1 71 ? 1.955 -0.639 3.505 1.00 0.00 ? 71 GLN A HB3 14 ATOM 20905 H HG2 . GLN A 1 71 ? 2.430 0.654 6.134 1.00 0.00 ? 71 GLN A HG2 14 ATOM 20906 H HG3 . GLN A 1 71 ? 1.061 1.201 5.167 1.00 0.00 ? 71 GLN A HG3 14 ATOM 20907 H HE21 . GLN A 1 71 ? 2.509 -1.542 6.785 1.00 0.00 ? 71 GLN A HE21 14 ATOM 20908 H HE22 . GLN A 1 71 ? 1.063 -2.480 6.905 1.00 0.00 ? 71 GLN A HE22 14 ATOM 20909 N N . LEU A 1 72 ? 4.842 -0.687 2.110 1.00 0.00 ? 72 LEU A N 14 ATOM 20910 C CA . LEU A 1 72 ? 5.298 -1.395 0.919 1.00 0.00 ? 72 LEU A CA 14 ATOM 20911 C C . LEU A 1 72 ? 6.433 -2.356 1.259 1.00 0.00 ? 72 LEU A C 14 ATOM 20912 O O . LEU A 1 72 ? 6.359 -3.550 0.968 1.00 0.00 ? 72 LEU A O 14 ATOM 20913 C CB . LEU A 1 72 ? 5.760 -0.399 -0.146 1.00 0.00 ? 72 LEU A CB 14 ATOM 20914 C CG . LEU A 1 72 ? 6.290 -1.004 -1.446 1.00 0.00 ? 72 LEU A CG 14 ATOM 20915 C CD1 . LEU A 1 72 ? 5.507 -2.256 -1.810 1.00 0.00 ? 72 LEU A CD1 14 ATOM 20916 C CD2 . LEU A 1 72 ? 6.224 0.015 -2.574 1.00 0.00 ? 72 LEU A CD2 14 ATOM 20917 H H . LEU A 1 72 ? 4.894 0.291 2.132 1.00 0.00 ? 72 LEU A H 14 ATOM 20918 H HA . LEU A 1 72 ? 4.466 -1.964 0.532 1.00 0.00 ? 72 LEU A HA 14 ATOM 20919 H HB2 . LEU A 1 72 ? 4.921 0.233 -0.393 1.00 0.00 ? 72 LEU A HB2 14 ATOM 20920 H HB3 . LEU A 1 72 ? 6.548 0.203 0.285 1.00 0.00 ? 72 LEU A HB3 14 ATOM 20921 H HG . LEU A 1 72 ? 7.325 -1.287 -1.309 1.00 0.00 ? 72 LEU A HG 14 ATOM 20922 H HD11 . LEU A 1 72 ? 5.980 -2.746 -2.648 1.00 0.00 ? 72 LEU A HD11 14 ATOM 20923 H HD12 . LEU A 1 72 ? 4.496 -1.984 -2.076 1.00 0.00 ? 72 LEU A HD12 14 ATOM 20924 H HD13 . LEU A 1 72 ? 5.488 -2.927 -0.964 1.00 0.00 ? 72 LEU A HD13 14 ATOM 20925 H HD21 . LEU A 1 72 ? 5.316 -0.132 -3.139 1.00 0.00 ? 72 LEU A HD21 14 ATOM 20926 H HD22 . LEU A 1 72 ? 7.077 -0.113 -3.225 1.00 0.00 ? 72 LEU A HD22 14 ATOM 20927 H HD23 . LEU A 1 72 ? 6.234 1.012 -2.160 1.00 0.00 ? 72 LEU A HD23 14 ATOM 20928 N N . LEU A 1 73 ? 7.482 -1.828 1.880 1.00 0.00 ? 73 LEU A N 14 ATOM 20929 C CA . LEU A 1 73 ? 8.633 -2.639 2.263 1.00 0.00 ? 73 LEU A CA 14 ATOM 20930 C C . LEU A 1 73 ? 8.224 -3.740 3.235 1.00 0.00 ? 73 LEU A C 14 ATOM 20931 O O . LEU A 1 73 ? 8.883 -4.776 3.331 1.00 0.00 ? 73 LEU A O 14 ATOM 20932 C CB . LEU A 1 73 ? 9.714 -1.760 2.895 1.00 0.00 ? 73 LEU A CB 14 ATOM 20933 C CG . LEU A 1 73 ? 10.021 -0.449 2.171 1.00 0.00 ? 73 LEU A CG 14 ATOM 20934 C CD1 . LEU A 1 73 ? 11.211 0.249 2.812 1.00 0.00 ? 73 LEU A CD1 14 ATOM 20935 C CD2 . LEU A 1 73 ? 10.284 -0.705 0.694 1.00 0.00 ? 73 LEU A CD2 14 ATOM 20936 H H . LEU A 1 73 ? 7.485 -0.870 2.086 1.00 0.00 ? 73 LEU A H 14 ATOM 20937 H HA . LEU A 1 73 ? 9.029 -3.095 1.368 1.00 0.00 ? 73 LEU A HA 14 ATOM 20938 H HB2 . LEU A 1 73 ? 9.397 -1.517 3.898 1.00 0.00 ? 73 LEU A HB2 14 ATOM 20939 H HB3 . LEU A 1 73 ? 10.626 -2.338 2.937 1.00 0.00 ? 73 LEU A HB3 14 ATOM 20940 H HG . LEU A 1 73 ? 9.167 0.208 2.250 1.00 0.00 ? 73 LEU A HG 14 ATOM 20941 H HD11 . LEU A 1 73 ? 10.915 0.659 3.766 1.00 0.00 ? 73 LEU A HD11 14 ATOM 20942 H HD12 . LEU A 1 73 ? 11.551 1.046 2.168 1.00 0.00 ? 73 LEU A HD12 14 ATOM 20943 H HD13 . LEU A 1 73 ? 12.010 -0.463 2.958 1.00 0.00 ? 73 LEU A HD13 14 ATOM 20944 H HD21 . LEU A 1 73 ? 11.247 -1.179 0.577 1.00 0.00 ? 73 LEU A HD21 14 ATOM 20945 H HD22 . LEU A 1 73 ? 10.279 0.234 0.159 1.00 0.00 ? 73 LEU A HD22 14 ATOM 20946 H HD23 . LEU A 1 73 ? 9.514 -1.350 0.298 1.00 0.00 ? 73 LEU A HD23 14 ATOM 20947 N N . LEU A 1 74 ? 7.130 -3.511 3.954 1.00 0.00 ? 74 LEU A N 14 ATOM 20948 C CA . LEU A 1 74 ? 6.631 -4.485 4.919 1.00 0.00 ? 74 LEU A CA 14 ATOM 20949 C C . LEU A 1 74 ? 5.753 -5.528 4.235 1.00 0.00 ? 74 LEU A C 14 ATOM 20950 O O . LEU A 1 74 ? 5.731 -6.693 4.633 1.00 0.00 ? 74 LEU A O 14 ATOM 20951 C CB . LEU A 1 74 ? 5.839 -3.780 6.022 1.00 0.00 ? 74 LEU A CB 14 ATOM 20952 C CG . LEU A 1 74 ? 6.662 -3.189 7.167 1.00 0.00 ? 74 LEU A CG 14 ATOM 20953 C CD1 . LEU A 1 74 ? 5.792 -2.311 8.052 1.00 0.00 ? 74 LEU A CD1 14 ATOM 20954 C CD2 . LEU A 1 74 ? 7.311 -4.297 7.984 1.00 0.00 ? 74 LEU A CD2 14 ATOM 20955 H H . LEU A 1 74 ? 6.647 -2.667 3.835 1.00 0.00 ? 74 LEU A H 14 ATOM 20956 H HA . LEU A 1 74 ? 7.482 -4.981 5.360 1.00 0.00 ? 74 LEU A HA 14 ATOM 20957 H HB2 . LEU A 1 74 ? 5.282 -2.975 5.566 1.00 0.00 ? 74 LEU A HB2 14 ATOM 20958 H HB3 . LEU A 1 74 ? 5.150 -4.498 6.444 1.00 0.00 ? 74 LEU A HB3 14 ATOM 20959 H HG . LEU A 1 74 ? 7.449 -2.572 6.755 1.00 0.00 ? 74 LEU A HG 14 ATOM 20960 H HD11 . LEU A 1 74 ? 5.533 -1.408 7.521 1.00 0.00 ? 74 LEU A HD11 14 ATOM 20961 H HD12 . LEU A 1 74 ? 6.335 -2.057 8.951 1.00 0.00 ? 74 LEU A HD12 14 ATOM 20962 H HD13 . LEU A 1 74 ? 4.891 -2.846 8.316 1.00 0.00 ? 74 LEU A HD13 14 ATOM 20963 H HD21 . LEU A 1 74 ? 7.869 -4.949 7.327 1.00 0.00 ? 74 LEU A HD21 14 ATOM 20964 H HD22 . LEU A 1 74 ? 6.545 -4.867 8.490 1.00 0.00 ? 74 LEU A HD22 14 ATOM 20965 H HD23 . LEU A 1 74 ? 7.978 -3.863 8.713 1.00 0.00 ? 74 LEU A HD23 14 ATOM 20966 N N . ILE A 1 75 ? 5.033 -5.102 3.202 1.00 0.00 ? 75 ILE A N 14 ATOM 20967 C CA . ILE A 1 75 ? 4.157 -6.001 2.460 1.00 0.00 ? 75 ILE A CA 14 ATOM 20968 C C . ILE A 1 75 ? 4.960 -6.924 1.550 1.00 0.00 ? 75 ILE A C 14 ATOM 20969 O O . ILE A 1 75 ? 4.835 -8.146 1.625 1.00 0.00 ? 75 ILE A O 14 ATOM 20970 C CB . ILE A 1 75 ? 3.138 -5.219 1.610 1.00 0.00 ? 75 ILE A CB 14 ATOM 20971 C CG1 . ILE A 1 75 ? 2.066 -4.595 2.506 1.00 0.00 ? 75 ILE A CG1 14 ATOM 20972 C CG2 . ILE A 1 75 ? 2.504 -6.132 0.571 1.00 0.00 ? 75 ILE A CG2 14 ATOM 20973 C CD1 . ILE A 1 75 ? 1.351 -3.425 1.867 1.00 0.00 ? 75 ILE A CD1 14 ATOM 20974 H H . ILE A 1 75 ? 5.093 -4.163 2.932 1.00 0.00 ? 75 ILE A H 14 ATOM 20975 H HA . ILE A 1 75 ? 3.613 -6.601 3.176 1.00 0.00 ? 75 ILE A HA 14 ATOM 20976 H HB . ILE A 1 75 ? 3.665 -4.433 1.090 1.00 0.00 ? 75 ILE A HB 14 ATOM 20977 H HG12 . ILE A 1 75 ? 1.327 -5.343 2.746 1.00 0.00 ? 75 ILE A HG12 14 ATOM 20978 H HG13 . ILE A 1 75 ? 2.528 -4.245 3.418 1.00 0.00 ? 75 ILE A HG13 14 ATOM 20979 H HG21 . ILE A 1 75 ? 2.959 -5.951 -0.392 1.00 0.00 ? 75 ILE A HG21 14 ATOM 20980 H HG22 . ILE A 1 75 ? 2.660 -7.162 0.855 1.00 0.00 ? 75 ILE A HG22 14 ATOM 20981 H HG23 . ILE A 1 75 ? 1.445 -5.930 0.513 1.00 0.00 ? 75 ILE A HG23 14 ATOM 20982 H HD11 . ILE A 1 75 ? 1.147 -2.675 2.617 1.00 0.00 ? 75 ILE A HD11 14 ATOM 20983 H HD12 . ILE A 1 75 ? 1.972 -3.002 1.092 1.00 0.00 ? 75 ILE A HD12 14 ATOM 20984 H HD13 . ILE A 1 75 ? 0.420 -3.764 1.436 1.00 0.00 ? 75 ILE A HD13 14 ATOM 20985 N N . GLN A 1 76 ? 5.784 -6.331 0.693 1.00 0.00 ? 76 GLN A N 14 ATOM 20986 C CA . GLN A 1 76 ? 6.609 -7.101 -0.231 1.00 0.00 ? 76 GLN A CA 14 ATOM 20987 C C . GLN A 1 76 ? 7.245 -8.295 0.473 1.00 0.00 ? 76 GLN A C 14 ATOM 20988 O O . GLN A 1 76 ? 7.235 -9.410 -0.047 1.00 0.00 ? 76 GLN A O 14 ATOM 20989 C CB . GLN A 1 76 ? 7.696 -6.213 -0.839 1.00 0.00 ? 76 GLN A CB 14 ATOM 20990 C CG . GLN A 1 76 ? 7.225 -5.412 -2.042 1.00 0.00 ? 76 GLN A CG 14 ATOM 20991 C CD . GLN A 1 76 ? 8.349 -5.097 -3.009 1.00 0.00 ? 76 GLN A CD 14 ATOM 20992 O OE1 . GLN A 1 76 ? 8.877 -5.987 -3.677 1.00 0.00 ? 76 GLN A OE1 14 ATOM 20993 N NE2 . GLN A 1 76 ? 8.722 -3.825 -3.090 1.00 0.00 ? 76 GLN A NE2 14 ATOM 20994 H H . GLN A 1 76 ? 5.839 -5.353 0.682 1.00 0.00 ? 76 GLN A H 14 ATOM 20995 H HA . GLN A 1 76 ? 5.969 -7.464 -1.021 1.00 0.00 ? 76 GLN A HA 14 ATOM 20996 H HB2 . GLN A 1 76 ? 8.042 -5.522 -0.085 1.00 0.00 ? 76 GLN A HB2 14 ATOM 20997 H HB3 . GLN A 1 76 ? 8.521 -6.837 -1.150 1.00 0.00 ? 76 GLN A HB3 14 ATOM 20998 H HG2 . GLN A 1 76 ? 6.471 -5.981 -2.564 1.00 0.00 ? 76 GLN A HG2 14 ATOM 20999 H HG3 . GLN A 1 76 ? 6.797 -4.483 -1.694 1.00 0.00 ? 76 GLN A HG3 14 ATOM 21000 H HE21 . GLN A 1 76 ? 8.257 -3.170 -2.527 1.00 0.00 ? 76 GLN A HE21 14 ATOM 21001 H HE22 . GLN A 1 76 ? 9.446 -3.593 -3.706 1.00 0.00 ? 76 GLN A HE22 14 ATOM 21002 N N . GLU A 1 77 ? 7.797 -8.052 1.658 1.00 0.00 ? 77 GLU A N 14 ATOM 21003 C CA . GLU A 1 77 ? 8.439 -9.108 2.431 1.00 0.00 ? 77 GLU A CA 14 ATOM 21004 C C . GLU A 1 77 ? 7.407 -10.101 2.957 1.00 0.00 ? 77 GLU A C 14 ATOM 21005 O O . GLU A 1 77 ? 7.656 -11.306 3.003 1.00 0.00 ? 77 GLU A O 14 ATOM 21006 C CB . GLU A 1 77 ? 9.228 -8.509 3.598 1.00 0.00 ? 77 GLU A CB 14 ATOM 21007 C CG . GLU A 1 77 ? 8.350 -7.871 4.662 1.00 0.00 ? 77 GLU A CG 14 ATOM 21008 C CD . GLU A 1 77 ? 9.112 -7.556 5.934 1.00 0.00 ? 77 GLU A CD 14 ATOM 21009 O OE1 . GLU A 1 77 ? 9.408 -8.500 6.697 1.00 0.00 ? 77 GLU A OE1 14 ATOM 21010 O OE2 . GLU A 1 77 ? 9.412 -6.367 6.167 1.00 0.00 ? 77 GLU A OE2 14 ATOM 21011 H H . GLU A 1 77 ? 7.773 -7.142 2.019 1.00 0.00 ? 77 GLU A H 14 ATOM 21012 H HA . GLU A 1 77 ? 9.122 -9.630 1.778 1.00 0.00 ? 77 GLU A HA 14 ATOM 21013 H HB2 . GLU A 1 77 ? 9.810 -9.291 4.062 1.00 0.00 ? 77 GLU A HB2 14 ATOM 21014 H HB3 . GLU A 1 77 ? 9.897 -7.754 3.213 1.00 0.00 ? 77 GLU A HB3 14 ATOM 21015 H HG2 . GLU A 1 77 ? 7.940 -6.953 4.269 1.00 0.00 ? 77 GLU A HG2 14 ATOM 21016 H HG3 . GLU A 1 77 ? 7.545 -8.550 4.900 1.00 0.00 ? 77 GLU A HG3 14 ATOM 21017 N N . ARG A 1 78 ? 6.248 -9.586 3.355 1.00 0.00 ? 78 ARG A N 14 ATOM 21018 C CA . ARG A 1 78 ? 5.178 -10.427 3.880 1.00 0.00 ? 78 ARG A CA 14 ATOM 21019 C C . ARG A 1 78 ? 4.594 -11.311 2.782 1.00 0.00 ? 78 ARG A C 14 ATOM 21020 O O . ARG A 1 78 ? 3.844 -12.247 3.060 1.00 0.00 ? 78 ARG A O 14 ATOM 21021 C CB . ARG A 1 78 ? 4.076 -9.562 4.493 1.00 0.00 ? 78 ARG A CB 14 ATOM 21022 C CG . ARG A 1 78 ? 4.413 -9.039 5.880 1.00 0.00 ? 78 ARG A CG 14 ATOM 21023 C CD . ARG A 1 78 ? 4.517 -10.171 6.891 1.00 0.00 ? 78 ARG A CD 14 ATOM 21024 N NE . ARG A 1 78 ? 4.644 -9.673 8.259 1.00 0.00 ? 78 ARG A NE 14 ATOM 21025 C CZ . ARG A 1 78 ? 3.638 -9.136 8.941 1.00 0.00 ? 78 ARG A CZ 14 ATOM 21026 N NH1 . ARG A 1 78 ? 2.439 -9.028 8.386 1.00 0.00 ? 78 ARG A NH1 14 ATOM 21027 N NH2 . ARG A 1 78 ? 3.832 -8.706 10.181 1.00 0.00 ? 78 ARG A NH2 14 ATOM 21028 H H . ARG A 1 78 ? 6.109 -8.618 3.294 1.00 0.00 ? 78 ARG A H 14 ATOM 21029 H HA . ARG A 1 78 ? 5.599 -11.057 4.649 1.00 0.00 ? 78 ARG A HA 14 ATOM 21030 H HB2 . ARG A 1 78 ? 3.897 -8.714 3.848 1.00 0.00 ? 78 ARG A HB2 14 ATOM 21031 H HB3 . ARG A 1 78 ? 3.172 -10.148 4.563 1.00 0.00 ? 78 ARG A HB3 14 ATOM 21032 H HG2 . ARG A 1 78 ? 5.359 -8.520 5.839 1.00 0.00 ? 78 ARG A HG2 14 ATOM 21033 H HG3 . ARG A 1 78 ? 3.638 -8.357 6.196 1.00 0.00 ? 78 ARG A HG3 14 ATOM 21034 H HD2 . ARG A 1 78 ? 3.630 -10.781 6.822 1.00 0.00 ? 78 ARG A HD2 14 ATOM 21035 H HD3 . ARG A 1 78 ? 5.385 -10.768 6.654 1.00 0.00 ? 78 ARG A HD3 14 ATOM 21036 H HE . ARG A 1 78 ? 5.521 -9.743 8.688 1.00 0.00 ? 78 ARG A HE 14 ATOM 21037 H HH11 . ARG A 1 78 ? 2.290 -9.352 7.452 1.00 0.00 ? 78 ARG A HH11 14 ATOM 21038 H HH12 . ARG A 1 78 ? 1.683 -8.624 8.902 1.00 0.00 ? 78 ARG A HH12 14 ATOM 21039 H HH21 . ARG A 1 78 ? 4.734 -8.785 10.603 1.00 0.00 ? 78 ARG A HH21 14 ATOM 21040 H HH22 . ARG A 1 78 ? 3.075 -8.302 10.694 1.00 0.00 ? 78 ARG A HH22 14 ATOM 21041 N N . TRP A 1 79 ? 4.942 -11.008 1.537 1.00 0.00 ? 79 TRP A N 14 ATOM 21042 C CA . TRP A 1 79 ? 4.451 -11.775 0.398 1.00 0.00 ? 79 TRP A CA 14 ATOM 21043 C C . TRP A 1 79 ? 5.407 -12.913 0.055 1.00 0.00 ? 79 TRP A C 14 ATOM 21044 O O . TRP A 1 79 ? 5.026 -14.083 0.070 1.00 0.00 ? 79 TRP A O 14 ATOM 21045 C CB . TRP A 1 79 ? 4.268 -10.864 -0.816 1.00 0.00 ? 79 TRP A CB 14 ATOM 21046 C CG . TRP A 1 79 ? 3.439 -11.481 -1.902 1.00 0.00 ? 79 TRP A CG 14 ATOM 21047 C CD1 . TRP A 1 79 ? 2.508 -12.469 -1.761 1.00 0.00 ? 79 TRP A CD1 14 ATOM 21048 C CD2 . TRP A 1 79 ? 3.469 -11.151 -3.295 1.00 0.00 ? 79 TRP A CD2 14 ATOM 21049 N NE1 . TRP A 1 79 ? 1.957 -12.774 -2.983 1.00 0.00 ? 79 TRP A NE1 14 ATOM 21050 C CE2 . TRP A 1 79 ? 2.529 -11.979 -3.940 1.00 0.00 ? 79 TRP A CE2 14 ATOM 21051 C CE3 . TRP A 1 79 ? 4.197 -10.236 -4.060 1.00 0.00 ? 79 TRP A CE3 14 ATOM 21052 C CZ2 . TRP A 1 79 ? 2.301 -11.918 -5.312 1.00 0.00 ? 79 TRP A CZ2 14 ATOM 21053 C CZ3 . TRP A 1 79 ? 3.970 -10.177 -5.422 1.00 0.00 ? 79 TRP A CZ3 14 ATOM 21054 C CH2 . TRP A 1 79 ? 3.028 -11.013 -6.037 1.00 0.00 ? 79 TRP A CH2 14 ATOM 21055 H H . TRP A 1 79 ? 5.543 -10.250 1.380 1.00 0.00 ? 79 TRP A H 14 ATOM 21056 H HA . TRP A 1 79 ? 3.494 -12.195 0.670 1.00 0.00 ? 79 TRP A HA 14 ATOM 21057 H HB2 . TRP A 1 79 ? 3.782 -9.952 -0.504 1.00 0.00 ? 79 TRP A HB2 14 ATOM 21058 H HB3 . TRP A 1 79 ? 5.238 -10.627 -1.229 1.00 0.00 ? 79 TRP A HB3 14 ATOM 21059 H HD1 . TRP A 1 79 ? 2.253 -12.935 -0.822 1.00 0.00 ? 79 TRP A HD1 14 ATOM 21060 H HE1 . TRP A 1 79 ? 1.265 -13.451 -3.142 1.00 0.00 ? 79 TRP A HE1 14 ATOM 21061 H HE3 . TRP A 1 79 ? 4.927 -9.583 -3.605 1.00 0.00 ? 79 TRP A HE3 14 ATOM 21062 H HZ2 . TRP A 1 79 ? 1.578 -12.555 -5.800 1.00 0.00 ? 79 TRP A HZ2 14 ATOM 21063 H HZ3 . TRP A 1 79 ? 4.523 -9.476 -6.030 1.00 0.00 ? 79 TRP A HZ3 14 ATOM 21064 H HH2 . TRP A 1 79 ? 2.883 -10.932 -7.103 1.00 0.00 ? 79 TRP A HH2 14 ATOM 21065 N N . LYS A 1 80 ? 6.651 -12.562 -0.253 1.00 0.00 ? 80 LYS A N 14 ATOM 21066 C CA . LYS A 1 80 ? 7.663 -13.553 -0.598 1.00 0.00 ? 80 LYS A CA 14 ATOM 21067 C C . LYS A 1 80 ? 7.685 -14.686 0.423 1.00 0.00 ? 80 LYS A C 14 ATOM 21068 O O . LYS A 1 80 ? 8.052 -15.817 0.101 1.00 0.00 ? 80 LYS A O 14 ATOM 21069 C CB . LYS A 1 80 ? 9.044 -12.897 -0.676 1.00 0.00 ? 80 LYS A CB 14 ATOM 21070 C CG . LYS A 1 80 ? 9.542 -12.366 0.657 1.00 0.00 ? 80 LYS A CG 14 ATOM 21071 C CD . LYS A 1 80 ? 10.945 -11.795 0.541 1.00 0.00 ? 80 LYS A CD 14 ATOM 21072 C CE . LYS A 1 80 ? 10.947 -10.471 -0.208 1.00 0.00 ? 80 LYS A CE 14 ATOM 21073 N NZ . LYS A 1 80 ? 12.255 -10.210 -0.869 1.00 0.00 ? 80 LYS A NZ 14 ATOM 21074 H H . LYS A 1 80 ? 6.895 -11.612 -0.247 1.00 0.00 ? 80 LYS A H 14 ATOM 21075 H HA . LYS A 1 80 ? 7.412 -13.960 -1.565 1.00 0.00 ? 80 LYS A HA 14 ATOM 21076 H HB2 . LYS A 1 80 ? 9.755 -13.624 -1.039 1.00 0.00 ? 80 LYS A HB2 14 ATOM 21077 H HB3 . LYS A 1 80 ? 8.998 -12.072 -1.373 1.00 0.00 ? 80 LYS A HB3 14 ATOM 21078 H HG2 . LYS A 1 80 ? 8.874 -11.588 0.997 1.00 0.00 ? 80 LYS A HG2 14 ATOM 21079 H HG3 . LYS A 1 80 ? 9.550 -13.174 1.375 1.00 0.00 ? 80 LYS A HG3 14 ATOM 21080 H HD2 . LYS A 1 80 ? 11.342 -11.635 1.532 1.00 0.00 ? 80 LYS A HD2 14 ATOM 21081 H HD3 . LYS A 1 80 ? 11.568 -12.500 0.010 1.00 0.00 ? 80 LYS A HD3 14 ATOM 21082 H HE2 . LYS A 1 80 ? 10.172 -10.496 -0.959 1.00 0.00 ? 80 LYS A HE2 14 ATOM 21083 H HE3 . LYS A 1 80 ? 10.742 -9.675 0.494 1.00 0.00 ? 80 LYS A HE3 14 ATOM 21084 H HZ1 . LYS A 1 80 ? 13.035 -10.448 -0.224 1.00 0.00 ? 80 LYS A HZ1 14 ATOM 21085 H HZ2 . LYS A 1 80 ? 12.330 -9.205 -1.128 1.00 0.00 ? 80 LYS A HZ2 14 ATOM 21086 H HZ3 . LYS A 1 80 ? 12.342 -10.786 -1.730 1.00 0.00 ? 80 LYS A HZ3 14 ATOM 21087 N N . ARG A 1 81 ? 7.288 -14.377 1.653 1.00 0.00 ? 81 ARG A N 14 ATOM 21088 C CA . ARG A 1 81 ? 7.262 -15.370 2.720 1.00 0.00 ? 81 ARG A CA 14 ATOM 21089 C C . ARG A 1 81 ? 6.005 -16.231 2.631 1.00 0.00 ? 81 ARG A C 14 ATOM 21090 O O . ARG A 1 81 ? 6.054 -17.442 2.841 1.00 0.00 ? 81 ARG A O 14 ATOM 21091 C CB . ARG A 1 81 ? 7.327 -14.684 4.086 1.00 0.00 ? 81 ARG A CB 14 ATOM 21092 C CG . ARG A 1 81 ? 8.698 -14.116 4.417 1.00 0.00 ? 81 ARG A CG 14 ATOM 21093 C CD . ARG A 1 81 ? 8.757 -13.603 5.847 1.00 0.00 ? 81 ARG A CD 14 ATOM 21094 N NE . ARG A 1 81 ? 9.711 -12.507 5.996 1.00 0.00 ? 81 ARG A NE 14 ATOM 21095 C CZ . ARG A 1 81 ? 11.011 -12.687 6.199 1.00 0.00 ? 81 ARG A CZ 14 ATOM 21096 N NH1 . ARG A 1 81 ? 11.510 -13.913 6.277 1.00 0.00 ? 81 ARG A NH1 14 ATOM 21097 N NH2 . ARG A 1 81 ? 11.816 -11.639 6.325 1.00 0.00 ? 81 ARG A NH2 14 ATOM 21098 H H . ARG A 1 81 ? 7.007 -13.458 1.848 1.00 0.00 ? 81 ARG A H 14 ATOM 21099 H HA . ARG A 1 81 ? 8.127 -16.005 2.604 1.00 0.00 ? 81 ARG A HA 14 ATOM 21100 H HB2 . ARG A 1 81 ? 6.613 -13.874 4.104 1.00 0.00 ? 81 ARG A HB2 14 ATOM 21101 H HB3 . ARG A 1 81 ? 7.065 -15.402 4.848 1.00 0.00 ? 81 ARG A HB3 14 ATOM 21102 H HG2 . ARG A 1 81 ? 9.438 -14.893 4.294 1.00 0.00 ? 81 ARG A HG2 14 ATOM 21103 H HG3 . ARG A 1 81 ? 8.912 -13.302 3.742 1.00 0.00 ? 81 ARG A HG3 14 ATOM 21104 H HD2 . ARG A 1 81 ? 7.775 -13.254 6.131 1.00 0.00 ? 81 ARG A HD2 14 ATOM 21105 H HD3 . ARG A 1 81 ? 9.052 -14.415 6.495 1.00 0.00 ? 81 ARG A HD3 14 ATOM 21106 H HE . ARG A 1 81 ? 9.364 -11.593 5.942 1.00 0.00 ? 81 ARG A HE 14 ATOM 21107 H HH11 . ARG A 1 81 ? 10.906 -14.704 6.182 1.00 0.00 ? 81 ARG A HH11 14 ATOM 21108 H HH12 . ARG A 1 81 ? 12.490 -14.046 6.429 1.00 0.00 ? 81 ARG A HH12 14 ATOM 21109 H HH21 . ARG A 1 81 ? 11.443 -10.713 6.267 1.00 0.00 ? 81 ARG A HH21 14 ATOM 21110 H HH22 . ARG A 1 81 ? 12.794 -11.776 6.478 1.00 0.00 ? 81 ARG A HH22 14 ATOM 21111 N N . ALA A 1 82 ? 4.880 -15.596 2.318 1.00 0.00 ? 82 ALA A N 14 ATOM 21112 C CA . ALA A 1 82 ? 3.611 -16.303 2.200 1.00 0.00 ? 82 ALA A CA 14 ATOM 21113 C C . ALA A 1 82 ? 3.594 -17.198 0.965 1.00 0.00 ? 82 ALA A C 14 ATOM 21114 O O . ALA A 1 82 ? 2.770 -18.105 0.854 1.00 0.00 ? 82 ALA A O 14 ATOM 21115 C CB . ALA A 1 82 ? 2.457 -15.313 2.152 1.00 0.00 ? 82 ALA A CB 14 ATOM 21116 H H . ALA A 1 82 ? 4.905 -14.629 2.163 1.00 0.00 ? 82 ALA A H 14 ATOM 21117 H HA . ALA A 1 82 ? 3.489 -16.919 3.080 1.00 0.00 ? 82 ALA A HA 14 ATOM 21118 H HB1 . ALA A 1 82 ? 2.709 -14.439 2.736 1.00 0.00 ? 82 ALA A HB1 14 ATOM 21119 H HB2 . ALA A 1 82 ? 2.275 -15.021 1.129 1.00 0.00 ? 82 ALA A HB2 14 ATOM 21120 H HB3 . ALA A 1 82 ? 1.570 -15.774 2.559 1.00 0.00 ? 82 ALA A HB3 14 ATOM 21121 N N . LYS A 1 83 ? 4.509 -16.935 0.038 1.00 0.00 ? 83 LYS A N 14 ATOM 21122 C CA . LYS A 1 83 ? 4.601 -17.717 -1.190 1.00 0.00 ? 83 LYS A CA 14 ATOM 21123 C C . LYS A 1 83 ? 4.966 -19.166 -0.886 1.00 0.00 ? 83 LYS A C 14 ATOM 21124 O O . LYS A 1 83 ? 4.315 -20.094 -1.366 1.00 0.00 ? 83 LYS A O 14 ATOM 21125 C CB . LYS A 1 83 ? 5.639 -17.104 -2.132 1.00 0.00 ? 83 LYS A CB 14 ATOM 21126 C CG . LYS A 1 83 ? 5.272 -15.714 -2.621 1.00 0.00 ? 83 LYS A CG 14 ATOM 21127 C CD . LYS A 1 83 ? 4.467 -15.770 -3.908 1.00 0.00 ? 83 LYS A CD 14 ATOM 21128 C CE . LYS A 1 83 ? 4.699 -14.535 -4.765 1.00 0.00 ? 83 LYS A CE 14 ATOM 21129 N NZ . LYS A 1 83 ? 4.154 -14.704 -6.141 1.00 0.00 ? 83 LYS A NZ 14 ATOM 21130 H H . LYS A 1 83 ? 5.139 -16.198 0.184 1.00 0.00 ? 83 LYS A H 14 ATOM 21131 H HA . LYS A 1 83 ? 3.634 -17.695 -1.670 1.00 0.00 ? 83 LYS A HA 14 ATOM 21132 H HB2 . LYS A 1 83 ? 6.586 -17.043 -1.615 1.00 0.00 ? 83 LYS A HB2 14 ATOM 21133 H HB3 . LYS A 1 83 ? 5.751 -17.748 -2.993 1.00 0.00 ? 83 LYS A HB3 14 ATOM 21134 H HG2 . LYS A 1 83 ? 4.684 -15.219 -1.863 1.00 0.00 ? 83 LYS A HG2 14 ATOM 21135 H HG3 . LYS A 1 83 ? 6.179 -15.153 -2.799 1.00 0.00 ? 83 LYS A HG3 14 ATOM 21136 H HD2 . LYS A 1 83 ? 4.762 -16.644 -4.470 1.00 0.00 ? 83 LYS A HD2 14 ATOM 21137 H HD3 . LYS A 1 83 ? 3.416 -15.835 -3.663 1.00 0.00 ? 83 LYS A HD3 14 ATOM 21138 H HE2 . LYS A 1 83 ? 4.214 -13.692 -4.297 1.00 0.00 ? 83 LYS A HE2 14 ATOM 21139 H HE3 . LYS A 1 83 ? 5.761 -14.351 -4.828 1.00 0.00 ? 83 LYS A HE3 14 ATOM 21140 H HZ1 . LYS A 1 83 ? 3.893 -13.779 -6.538 1.00 0.00 ? 83 LYS A HZ1 14 ATOM 21141 H HZ2 . LYS A 1 83 ? 3.309 -15.310 -6.119 1.00 0.00 ? 83 LYS A HZ2 14 ATOM 21142 H HZ3 . LYS A 1 83 ? 4.867 -15.145 -6.756 1.00 0.00 ? 83 LYS A HZ3 14 ATOM 21143 N N . ARG A 1 84 ? 6.011 -19.353 -0.086 1.00 0.00 ? 84 ARG A N 14 ATOM 21144 C CA . ARG A 1 84 ? 6.462 -20.690 0.281 1.00 0.00 ? 84 ARG A CA 14 ATOM 21145 C C . ARG A 1 84 ? 5.565 -21.289 1.361 1.00 0.00 ? 84 ARG A C 14 ATOM 21146 O O . ARG A 1 84 ? 5.296 -22.490 1.361 1.00 0.00 ? 84 ARG A O 14 ATOM 21147 C CB . ARG A 1 84 ? 7.910 -20.646 0.773 1.00 0.00 ? 84 ARG A CB 14 ATOM 21148 C CG . ARG A 1 84 ? 8.106 -19.789 2.013 1.00 0.00 ? 84 ARG A CG 14 ATOM 21149 C CD . ARG A 1 84 ? 7.946 -20.606 3.285 1.00 0.00 ? 84 ARG A CD 14 ATOM 21150 N NE . ARG A 1 84 ? 9.043 -21.551 3.470 1.00 0.00 ? 84 ARG A NE 14 ATOM 21151 C CZ . ARG A 1 84 ? 9.023 -22.536 4.362 1.00 0.00 ? 84 ARG A CZ 14 ATOM 21152 N NH1 . ARG A 1 84 ? 7.966 -22.704 5.145 1.00 0.00 ? 84 ARG A NH1 14 ATOM 21153 N NH2 . ARG A 1 84 ? 10.060 -23.356 4.471 1.00 0.00 ? 84 ARG A NH2 14 ATOM 21154 H H . ARG A 1 84 ? 6.490 -18.574 0.265 1.00 0.00 ? 84 ARG A H 14 ATOM 21155 H HA . ARG A 1 84 ? 6.409 -21.312 -0.600 1.00 0.00 ? 84 ARG A HA 14 ATOM 21156 H HB2 . ARG A 1 84 ? 8.231 -21.651 1.002 1.00 0.00 ? 84 ARG A HB2 14 ATOM 21157 H HB3 . ARG A 1 84 ? 8.532 -20.248 -0.015 1.00 0.00 ? 84 ARG A HB3 14 ATOM 21158 H HG2 . ARG A 1 84 ? 9.100 -19.365 1.993 1.00 0.00 ? 84 ARG A HG2 14 ATOM 21159 H HG3 . ARG A 1 84 ? 7.374 -18.995 2.010 1.00 0.00 ? 84 ARG A HG3 14 ATOM 21160 H HD2 . ARG A 1 84 ? 7.918 -19.932 4.129 1.00 0.00 ? 84 ARG A HD2 14 ATOM 21161 H HD3 . ARG A 1 84 ? 7.017 -21.153 3.231 1.00 0.00 ? 84 ARG A HD3 14 ATOM 21162 H HE . ARG A 1 84 ? 9.834 -21.446 2.902 1.00 0.00 ? 84 ARG A HE 14 ATOM 21163 H HH11 . ARG A 1 84 ? 7.182 -22.088 5.064 1.00 0.00 ? 84 ARG A HH11 14 ATOM 21164 H HH12 . ARG A 1 84 ? 7.952 -23.447 5.814 1.00 0.00 ? 84 ARG A HH12 14 ATOM 21165 H HH21 . ARG A 1 84 ? 10.858 -23.233 3.882 1.00 0.00 ? 84 ARG A HH21 14 ATOM 21166 H HH22 . ARG A 1 84 ? 10.044 -24.097 5.142 1.00 0.00 ? 84 ARG A HH22 14 ATOM 21167 N N . GLU A 1 85 ? 5.107 -20.443 2.279 1.00 0.00 ? 85 GLU A N 14 ATOM 21168 C CA . GLU A 1 85 ? 4.243 -20.890 3.364 1.00 0.00 ? 85 GLU A CA 14 ATOM 21169 C C . GLU A 1 85 ? 2.911 -21.404 2.823 1.00 0.00 ? 85 GLU A C 14 ATOM 21170 O O . GLU A 1 85 ? 2.438 -22.469 3.220 1.00 0.00 ? 85 GLU A O 14 ATOM 21171 C CB . GLU A 1 85 ? 3.997 -19.749 4.354 1.00 0.00 ? 85 GLU A CB 14 ATOM 21172 C CG . GLU A 1 85 ? 5.273 -19.144 4.913 1.00 0.00 ? 85 GLU A CG 14 ATOM 21173 C CD . GLU A 1 85 ? 5.744 -19.840 6.176 1.00 0.00 ? 85 GLU A CD 14 ATOM 21174 O OE1 . GLU A 1 85 ? 4.891 -20.390 6.903 1.00 0.00 ? 85 GLU A OE1 14 ATOM 21175 O OE2 . GLU A 1 85 ? 6.966 -19.834 6.436 1.00 0.00 ? 85 GLU A OE2 14 ATOM 21176 H H . GLU A 1 85 ? 5.358 -19.497 2.225 1.00 0.00 ? 85 GLU A H 14 ATOM 21177 H HA . GLU A 1 85 ? 4.744 -21.697 3.877 1.00 0.00 ? 85 GLU A HA 14 ATOM 21178 H HB2 . GLU A 1 85 ? 3.441 -18.969 3.854 1.00 0.00 ? 85 GLU A HB2 14 ATOM 21179 H HB3 . GLU A 1 85 ? 3.410 -20.125 5.179 1.00 0.00 ? 85 GLU A HB3 14 ATOM 21180 H HG2 . GLU A 1 85 ? 6.050 -19.220 4.168 1.00 0.00 ? 85 GLU A HG2 14 ATOM 21181 H HG3 . GLU A 1 85 ? 5.094 -18.103 5.139 1.00 0.00 ? 85 GLU A HG3 14 ATOM 21182 N N . GLU A 1 86 ? 2.313 -20.639 1.915 1.00 0.00 ? 86 GLU A N 14 ATOM 21183 C CA . GLU A 1 86 ? 1.037 -21.016 1.321 1.00 0.00 ? 86 GLU A CA 14 ATOM 21184 C C . GLU A 1 86 ? 1.197 -22.233 0.413 1.00 0.00 ? 86 GLU A C 14 ATOM 21185 O O . GLU A 1 86 ? 0.434 -23.194 0.506 1.00 0.00 ? 86 GLU A O 14 ATOM 21186 C CB . GLU A 1 86 ? 0.453 -19.846 0.526 1.00 0.00 ? 86 GLU A CB 14 ATOM 21187 C CG . GLU A 1 86 ? -0.670 -20.249 -0.415 1.00 0.00 ? 86 GLU A CG 14 ATOM 21188 C CD . GLU A 1 86 ? -1.642 -19.116 -0.682 1.00 0.00 ? 86 GLU A CD 14 ATOM 21189 O OE1 . GLU A 1 86 ? -1.181 -18.015 -1.049 1.00 0.00 ? 86 GLU A OE1 14 ATOM 21190 O OE2 . GLU A 1 86 ? -2.862 -19.331 -0.524 1.00 0.00 ? 86 GLU A OE2 14 ATOM 21191 H H . GLU A 1 86 ? 2.741 -19.801 1.640 1.00 0.00 ? 86 GLU A H 14 ATOM 21192 H HA . GLU A 1 86 ? 0.359 -21.267 2.123 1.00 0.00 ? 86 GLU A HA 14 ATOM 21193 H HB2 . GLU A 1 86 ? 0.070 -19.111 1.218 1.00 0.00 ? 86 GLU A HB2 14 ATOM 21194 H HB3 . GLU A 1 86 ? 1.242 -19.398 -0.061 1.00 0.00 ? 86 GLU A HB3 14 ATOM 21195 H HG2 . GLU A 1 86 ? -0.241 -20.563 -1.354 1.00 0.00 ? 86 GLU A HG2 14 ATOM 21196 H HG3 . GLU A 1 86 ? -1.212 -21.073 0.025 1.00 0.00 ? 86 GLU A HG3 14 ATOM 21197 N N . ARG A 1 87 ? 2.194 -22.182 -0.463 1.00 0.00 ? 87 ARG A N 14 ATOM 21198 C CA . ARG A 1 87 ? 2.454 -23.278 -1.389 1.00 0.00 ? 87 ARG A CA 14 ATOM 21199 C C . ARG A 1 87 ? 2.725 -24.575 -0.633 1.00 0.00 ? 87 ARG A C 14 ATOM 21200 O O . ARG A 1 87 ? 2.516 -25.669 -1.160 1.00 0.00 ? 87 ARG A O 14 ATOM 21201 C CB . ARG A 1 87 ? 3.645 -22.942 -2.289 1.00 0.00 ? 87 ARG A CB 14 ATOM 21202 C CG . ARG A 1 87 ? 3.291 -22.027 -3.451 1.00 0.00 ? 87 ARG A CG 14 ATOM 21203 C CD . ARG A 1 87 ? 2.285 -22.678 -4.386 1.00 0.00 ? 87 ARG A CD 14 ATOM 21204 N NE . ARG A 1 87 ? 2.416 -22.191 -5.757 1.00 0.00 ? 87 ARG A NE 14 ATOM 21205 C CZ . ARG A 1 87 ? 2.023 -22.880 -6.822 1.00 0.00 ? 87 ARG A CZ 14 ATOM 21206 N NH1 . ARG A 1 87 ? 1.476 -24.079 -6.676 1.00 0.00 ? 87 ARG A NH1 14 ATOM 21207 N NH2 . ARG A 1 87 ? 2.177 -22.369 -8.038 1.00 0.00 ? 87 ARG A NH2 14 ATOM 21208 H H . ARG A 1 87 ? 2.768 -21.388 -0.489 1.00 0.00 ? 87 ARG A H 14 ATOM 21209 H HA . ARG A 1 87 ? 1.576 -23.409 -2.003 1.00 0.00 ? 87 ARG A HA 14 ATOM 21210 H HB2 . ARG A 1 87 ? 4.404 -22.455 -1.695 1.00 0.00 ? 87 ARG A HB2 14 ATOM 21211 H HB3 . ARG A 1 87 ? 4.046 -23.859 -2.691 1.00 0.00 ? 87 ARG A HB3 14 ATOM 21212 H HG2 . ARG A 1 87 ? 2.865 -21.114 -3.061 1.00 0.00 ? 87 ARG A HG2 14 ATOM 21213 H HG3 . ARG A 1 87 ? 4.190 -21.800 -4.004 1.00 0.00 ? 87 ARG A HG3 14 ATOM 21214 H HD2 . ARG A 1 87 ? 2.444 -23.747 -4.377 1.00 0.00 ? 87 ARG A HD2 14 ATOM 21215 H HD3 . ARG A 1 87 ? 1.289 -22.460 -4.030 1.00 0.00 ? 87 ARG A HD3 14 ATOM 21216 H HE . ARG A 1 87 ? 2.818 -21.308 -5.888 1.00 0.00 ? 87 ARG A HE 14 ATOM 21217 H HH11 . ARG A 1 87 ? 1.359 -24.466 -5.762 1.00 0.00 ? 87 ARG A HH11 14 ATOM 21218 H HH12 . ARG A 1 87 ? 1.180 -24.595 -7.481 1.00 0.00 ? 87 ARG A HH12 14 ATOM 21219 H HH21 . ARG A 1 87 ? 2.588 -21.466 -8.151 1.00 0.00 ? 87 ARG A HH21 14 ATOM 21220 H HH22 . ARG A 1 87 ? 1.881 -22.888 -8.839 1.00 0.00 ? 87 ARG A HH22 14 ATOM 21221 N N . LEU A 1 88 ? 3.191 -24.447 0.604 1.00 0.00 ? 88 LEU A N 14 ATOM 21222 C CA . LEU A 1 88 ? 3.491 -25.609 1.433 1.00 0.00 ? 88 LEU A CA 14 ATOM 21223 C C . LEU A 1 88 ? 2.213 -26.212 2.007 1.00 0.00 ? 88 LEU A C 14 ATOM 21224 O O . LEU A 1 88 ? 1.878 -27.364 1.730 1.00 0.00 ? 88 LEU A O 14 ATOM 21225 C CB . LEU A 1 88 ? 4.440 -25.219 2.568 1.00 0.00 ? 88 LEU A CB 14 ATOM 21226 C CG . LEU A 1 88 ? 5.925 -25.154 2.210 1.00 0.00 ? 88 LEU A CG 14 ATOM 21227 C CD1 . LEU A 1 88 ? 6.697 -24.387 3.272 1.00 0.00 ? 88 LEU A CD1 14 ATOM 21228 C CD2 . LEU A 1 88 ? 6.494 -26.555 2.041 1.00 0.00 ? 88 LEU A CD2 14 ATOM 21229 H H . LEU A 1 88 ? 3.338 -23.550 0.969 1.00 0.00 ? 88 LEU A H 14 ATOM 21230 H HA . LEU A 1 88 ? 3.974 -26.346 0.809 1.00 0.00 ? 88 LEU A HA 14 ATOM 21231 H HB2 . LEU A 1 88 ? 4.143 -24.245 2.927 1.00 0.00 ? 88 LEU A HB2 14 ATOM 21232 H HB3 . LEU A 1 88 ? 4.321 -25.944 3.361 1.00 0.00 ? 88 LEU A HB3 14 ATOM 21233 H HG . LEU A 1 88 ? 6.039 -24.630 1.271 1.00 0.00 ? 88 LEU A HG 14 ATOM 21234 H HD11 . LEU A 1 88 ? 6.218 -24.518 4.230 1.00 0.00 ? 88 LEU A HD11 14 ATOM 21235 H HD12 . LEU A 1 88 ? 6.713 -23.338 3.017 1.00 0.00 ? 88 LEU A HD12 14 ATOM 21236 H HD13 . LEU A 1 88 ? 7.709 -24.761 3.321 1.00 0.00 ? 88 LEU A HD13 14 ATOM 21237 H HD21 . LEU A 1 88 ? 7.508 -26.578 2.413 1.00 0.00 ? 88 LEU A HD21 14 ATOM 21238 H HD22 . LEU A 1 88 ? 6.488 -26.822 0.994 1.00 0.00 ? 88 LEU A HD22 14 ATOM 21239 H HD23 . LEU A 1 88 ? 5.891 -27.258 2.596 1.00 0.00 ? 88 LEU A HD23 14 ATOM 21240 N N . LYS A 1 89 ? 1.502 -25.427 2.808 1.00 0.00 ? 89 LYS A N 14 ATOM 21241 C CA . LYS A 1 89 ? 0.259 -25.881 3.419 1.00 0.00 ? 89 LYS A CA 14 ATOM 21242 C C . LYS A 1 89 ? -0.710 -26.399 2.362 1.00 0.00 ? 89 LYS A C 14 ATOM 21243 O O . LYS A 1 89 ? -1.596 -27.201 2.657 1.00 0.00 ? 89 LYS A O 14 ATOM 21244 C CB . LYS A 1 89 ? -0.392 -24.742 4.207 1.00 0.00 ? 89 LYS A CB 14 ATOM 21245 C CG . LYS A 1 89 ? -0.813 -23.566 3.342 1.00 0.00 ? 89 LYS A CG 14 ATOM 21246 C CD . LYS A 1 89 ? -1.435 -22.457 4.173 1.00 0.00 ? 89 LYS A CD 14 ATOM 21247 C CE . LYS A 1 89 ? -0.376 -21.658 4.918 1.00 0.00 ? 89 LYS A CE 14 ATOM 21248 N NZ . LYS A 1 89 ? -0.877 -20.316 5.324 1.00 0.00 ? 89 LYS A NZ 14 ATOM 21249 H H . LYS A 1 89 ? 1.821 -24.517 2.992 1.00 0.00 ? 89 LYS A H 14 ATOM 21250 H HA . LYS A 1 89 ? 0.497 -26.686 4.098 1.00 0.00 ? 89 LYS A HA 14 ATOM 21251 H HB2 . LYS A 1 89 ? -1.268 -25.123 4.711 1.00 0.00 ? 89 LYS A HB2 14 ATOM 21252 H HB3 . LYS A 1 89 ? 0.310 -24.384 4.946 1.00 0.00 ? 89 LYS A HB3 14 ATOM 21253 H HG2 . LYS A 1 89 ? 0.056 -23.176 2.833 1.00 0.00 ? 89 LYS A HG2 14 ATOM 21254 H HG3 . LYS A 1 89 ? -1.536 -23.907 2.615 1.00 0.00 ? 89 LYS A HG3 14 ATOM 21255 H HD2 . LYS A 1 89 ? -1.978 -21.790 3.520 1.00 0.00 ? 89 LYS A HD2 14 ATOM 21256 H HD3 . LYS A 1 89 ? -2.115 -22.894 4.891 1.00 0.00 ? 89 LYS A HD3 14 ATOM 21257 H HE2 . LYS A 1 89 ? -0.086 -22.207 5.801 1.00 0.00 ? 89 LYS A HE2 14 ATOM 21258 H HE3 . LYS A 1 89 ? 0.482 -21.534 4.274 1.00 0.00 ? 89 LYS A HE3 14 ATOM 21259 H HZ1 . LYS A 1 89 ? -1.795 -20.127 4.874 1.00 0.00 ? 89 LYS A HZ1 14 ATOM 21260 H HZ2 . LYS A 1 89 ? -0.203 -19.580 5.032 1.00 0.00 ? 89 LYS A HZ2 14 ATOM 21261 H HZ3 . LYS A 1 89 ? -0.993 -20.275 6.357 1.00 0.00 ? 89 LYS A HZ3 14 ATOM 21262 N N . ALA A 1 90 ? -0.535 -25.937 1.128 1.00 0.00 ? 90 ALA A N 14 ATOM 21263 C CA . ALA A 1 90 ? -1.391 -26.357 0.026 1.00 0.00 ? 90 ALA A CA 14 ATOM 21264 C C . ALA A 1 90 ? -1.468 -27.878 -0.061 1.00 0.00 ? 90 ALA A C 14 ATOM 21265 O O . ALA A 1 90 ? -0.470 -28.546 -0.332 1.00 0.00 ? 90 ALA A O 14 ATOM 21266 C CB . ALA A 1 90 ? -0.886 -25.777 -1.287 1.00 0.00 ? 90 ALA A CB 14 ATOM 21267 H H . ALA A 1 90 ? 0.188 -25.300 0.955 1.00 0.00 ? 90 ALA A H 14 ATOM 21268 H HA . ALA A 1 90 ? -2.383 -25.966 0.206 1.00 0.00 ? 90 ALA A HA 14 ATOM 21269 H HB1 . ALA A 1 90 ? -1.548 -24.986 -1.608 1.00 0.00 ? 90 ALA A HB1 14 ATOM 21270 H HB2 . ALA A 1 90 ? 0.108 -25.380 -1.145 1.00 0.00 ? 90 ALA A HB2 14 ATOM 21271 H HB3 . ALA A 1 90 ? -0.860 -26.553 -2.037 1.00 0.00 ? 90 ALA A HB3 14 ATOM 21272 N N . HIS A 1 91 ? -2.660 -28.420 0.172 1.00 0.00 ? 91 HIS A N 14 ATOM 21273 C CA . HIS A 1 91 ? -2.867 -29.863 0.120 1.00 0.00 ? 91 HIS A CA 14 ATOM 21274 C C . HIS A 1 91 ? -2.974 -30.345 -1.323 1.00 0.00 ? 91 HIS A C 14 ATOM 21275 O O . HIS A 1 91 ? -4.072 -30.466 -1.867 1.00 0.00 ? 91 HIS A O 14 ATOM 21276 C CB . HIS A 1 91 ? -4.128 -30.246 0.894 1.00 0.00 ? 91 HIS A CB 14 ATOM 21277 C CG . HIS A 1 91 ? -4.391 -31.721 0.918 1.00 0.00 ? 91 HIS A CG 14 ATOM 21278 N ND1 . HIS A 1 91 ? -5.652 -32.258 1.073 1.00 0.00 ? 91 HIS A ND1 14 ATOM 21279 C CD2 . HIS A 1 91 ? -3.547 -32.772 0.803 1.00 0.00 ? 91 HIS A CD2 14 ATOM 21280 C CE1 . HIS A 1 91 ? -5.571 -33.576 1.055 1.00 0.00 ? 91 HIS A CE1 14 ATOM 21281 N NE2 . HIS A 1 91 ? -4.305 -33.914 0.892 1.00 0.00 ? 91 HIS A NE2 14 ATOM 21282 H H . HIS A 1 91 ? -3.417 -27.835 0.383 1.00 0.00 ? 91 HIS A H 14 ATOM 21283 H HA . HIS A 1 91 ? -2.014 -30.337 0.582 1.00 0.00 ? 91 HIS A HA 14 ATOM 21284 H HB2 . HIS A 1 91 ? -4.032 -29.910 1.916 1.00 0.00 ? 91 HIS A HB2 14 ATOM 21285 H HB3 . HIS A 1 91 ? -4.982 -29.763 0.440 1.00 0.00 ? 91 HIS A HB3 14 ATOM 21286 H HD1 . HIS A 1 91 ? -6.481 -31.748 1.182 1.00 0.00 ? 91 HIS A HD1 14 ATOM 21287 H HD2 . HIS A 1 91 ? -2.476 -32.724 0.668 1.00 0.00 ? 91 HIS A HD2 14 ATOM 21288 H HE1 . HIS A 1 91 ? -6.400 -34.262 1.155 1.00 0.00 ? 91 HIS A HE1 14 ATOM 21289 H HE2 . HIS A 1 91 ? -3.956 -34.829 0.928 1.00 0.00 ? 91 HIS A HE2 14 ATOM 21290 N N . SER A 1 92 ? -1.828 -30.618 -1.938 1.00 0.00 ? 92 SER A N 14 ATOM 21291 C CA . SER A 1 92 ? -1.793 -31.082 -3.320 1.00 0.00 ? 92 SER A CA 14 ATOM 21292 C C . SER A 1 92 ? -2.485 -32.435 -3.456 1.00 0.00 ? 92 SER A C 14 ATOM 21293 O O . SER A 1 92 ? -2.820 -33.077 -2.461 1.00 0.00 ? 92 SER A O 14 ATOM 21294 C CB . SER A 1 92 ? -0.348 -31.185 -3.810 1.00 0.00 ? 92 SER A CB 14 ATOM 21295 O OG . SER A 1 92 ? 0.296 -32.324 -3.265 1.00 0.00 ? 92 SER A OG 14 ATOM 21296 H H . SER A 1 92 ? -0.985 -30.502 -1.451 1.00 0.00 ? 92 SER A H 14 ATOM 21297 H HA . SER A 1 92 ? -2.319 -30.360 -3.926 1.00 0.00 ? 92 SER A HA 14 ATOM 21298 H HB2 . SER A 1 92 ? -0.340 -31.262 -4.886 1.00 0.00 ? 92 SER A HB2 14 ATOM 21299 H HB3 . SER A 1 92 ? 0.195 -30.300 -3.508 1.00 0.00 ? 92 SER A HB3 14 ATOM 21300 H HG . SER A 1 92 ? 0.845 -32.733 -3.938 1.00 0.00 ? 92 SER A HG 14 ATOM 21301 N N . GLY A 1 93 ? -2.697 -32.863 -4.697 1.00 0.00 ? 93 GLY A N 14 ATOM 21302 C CA . GLY A 1 93 ? -3.348 -34.136 -4.942 1.00 0.00 ? 93 GLY A CA 14 ATOM 21303 C C . GLY A 1 93 ? -2.389 -35.306 -4.842 1.00 0.00 ? 93 GLY A C 14 ATOM 21304 O O . GLY A 1 93 ? -1.224 -35.152 -4.476 1.00 0.00 ? 93 GLY A O 14 ATOM 21305 H H . GLY A 1 93 ? -2.409 -32.309 -5.452 1.00 0.00 ? 93 GLY A H 14 ATOM 21306 H HA2 . GLY A 1 93 ? -4.138 -34.269 -4.219 1.00 0.00 ? 93 GLY A HA2 14 ATOM 21307 H HA3 . GLY A 1 93 ? -3.779 -34.123 -5.932 1.00 0.00 ? 93 GLY A HA3 14 ATOM 21308 N N . PRO A 1 94 ? -2.882 -36.510 -5.171 1.00 0.00 ? 94 PRO A N 14 ATOM 21309 C CA . PRO A 1 94 ? -2.077 -37.734 -5.123 1.00 0.00 ? 94 PRO A CA 14 ATOM 21310 C C . PRO A 1 94 ? -1.007 -37.767 -6.209 1.00 0.00 ? 94 PRO A C 14 ATOM 21311 O O . PRO A 1 94 ? -1.296 -37.557 -7.386 1.00 0.00 ? 94 PRO A O 14 ATOM 21312 C CB . PRO A 1 94 ? -3.106 -38.844 -5.354 1.00 0.00 ? 94 PRO A CB 14 ATOM 21313 C CG . PRO A 1 94 ? -4.209 -38.187 -6.110 1.00 0.00 ? 94 PRO A CG 14 ATOM 21314 C CD . PRO A 1 94 ? -4.262 -36.768 -5.616 1.00 0.00 ? 94 PRO A CD 14 ATOM 21315 H HA . PRO A 1 94 ? -1.613 -37.866 -4.157 1.00 0.00 ? 94 PRO A HA 14 ATOM 21316 H HB2 . PRO A 1 94 ? -2.656 -39.643 -5.926 1.00 0.00 ? 94 PRO A HB2 14 ATOM 21317 H HB3 . PRO A 1 94 ? -3.451 -39.223 -4.404 1.00 0.00 ? 94 PRO A HB3 14 ATOM 21318 H HG2 . PRO A 1 94 ? -3.993 -38.208 -7.167 1.00 0.00 ? 94 PRO A HG2 14 ATOM 21319 H HG3 . PRO A 1 94 ? -5.143 -38.689 -5.906 1.00 0.00 ? 94 PRO A HG3 14 ATOM 21320 H HD2 . PRO A 1 94 ? -4.540 -36.099 -6.417 1.00 0.00 ? 94 PRO A HD2 14 ATOM 21321 H HD3 . PRO A 1 94 ? -4.954 -36.681 -4.791 1.00 0.00 ? 94 PRO A HD3 14 ATOM 21322 N N . SER A 1 95 ? 0.232 -38.032 -5.804 1.00 0.00 ? 95 SER A N 14 ATOM 21323 C CA . SER A 1 95 ? 1.347 -38.088 -6.742 1.00 0.00 ? 95 SER A CA 14 ATOM 21324 C C . SER A 1 95 ? 2.210 -39.320 -6.486 1.00 0.00 ? 95 SER A C 14 ATOM 21325 O O . SER A 1 95 ? 2.570 -39.612 -5.346 1.00 0.00 ? 95 SER A O 14 ATOM 21326 C CB . SER A 1 95 ? 2.198 -36.823 -6.632 1.00 0.00 ? 95 SER A CB 14 ATOM 21327 O OG . SER A 1 95 ? 1.721 -35.810 -7.501 1.00 0.00 ? 95 SER A OG 14 ATOM 21328 H H . SER A 1 95 ? 0.399 -38.190 -4.851 1.00 0.00 ? 95 SER A H 14 ATOM 21329 H HA . SER A 1 95 ? 0.938 -38.151 -7.740 1.00 0.00 ? 95 SER A HA 14 ATOM 21330 H HB2 . SER A 1 95 ? 2.164 -36.455 -5.617 1.00 0.00 ? 95 SER A HB2 14 ATOM 21331 H HB3 . SER A 1 95 ? 3.220 -37.055 -6.896 1.00 0.00 ? 95 SER A HB3 14 ATOM 21332 H HG . SER A 1 95 ? 0.771 -35.897 -7.604 1.00 0.00 ? 95 SER A HG 14 ATOM 21333 N N . SER A 1 96 ? 2.538 -40.038 -7.555 1.00 0.00 ? 96 SER A N 14 ATOM 21334 C CA . SER A 1 96 ? 3.355 -41.241 -7.447 1.00 0.00 ? 96 SER A CA 14 ATOM 21335 C C . SER A 1 96 ? 4.833 -40.883 -7.314 1.00 0.00 ? 96 SER A C 14 ATOM 21336 O O . SER A 1 96 ? 5.550 -41.453 -6.493 1.00 0.00 ? 96 SER A O 14 ATOM 21337 C CB . SER A 1 96 ? 3.144 -42.138 -8.668 1.00 0.00 ? 96 SER A CB 14 ATOM 21338 O OG . SER A 1 96 ? 3.602 -41.506 -9.851 1.00 0.00 ? 96 SER A OG 14 ATOM 21339 H H . SER A 1 96 ? 2.220 -39.754 -8.437 1.00 0.00 ? 96 SER A H 14 ATOM 21340 H HA . SER A 1 96 ? 3.045 -41.774 -6.561 1.00 0.00 ? 96 SER A HA 14 ATOM 21341 H HB2 . SER A 1 96 ? 3.689 -43.060 -8.532 1.00 0.00 ? 96 SER A HB2 14 ATOM 21342 H HB3 . SER A 1 96 ? 2.091 -42.354 -8.774 1.00 0.00 ? 96 SER A HB3 14 ATOM 21343 H HG . SER A 1 96 ? 3.141 -41.872 -10.609 1.00 0.00 ? 96 SER A HG 14 ATOM 21344 N N . GLY A 1 97 ? 5.281 -39.933 -8.129 1.00 0.00 ? 97 GLY A N 14 ATOM 21345 C CA . GLY A 1 97 ? 6.670 -39.514 -8.088 1.00 0.00 ? 97 GLY A CA 14 ATOM 21346 C C . GLY A 1 97 ? 7.132 -38.908 -9.398 1.00 0.00 ? 97 GLY A C 14 ATOM 21347 O O . GLY A 1 97 ? 6.786 -37.771 -9.720 1.00 0.00 ? 97 GLY A O 14 ATOM 21348 H H . GLY A 1 97 ? 4.663 -39.513 -8.764 1.00 0.00 ? 97 GLY A H 14 ATOM 21349 H HA2 . GLY A 1 97 ? 6.791 -38.784 -7.303 1.00 0.00 ? 97 GLY A HA2 14 ATOM 21350 H HA3 . GLY A 1 97 ? 7.286 -40.373 -7.866 1.00 0.00 ? 97 GLY A HA3 14 ATOM 21351 N N . GLY A 1 1 ? 2.543 17.497 13.708 1.00 0.00 ? 1 GLY A N 15 ATOM 21352 C CA . GLY A 1 1 ? 1.097 17.422 13.605 1.00 0.00 ? 1 GLY A CA 15 ATOM 21353 C C . GLY A 1 1 ? 0.486 18.711 13.091 1.00 0.00 ? 1 GLY A C 15 ATOM 21354 O O . GLY A 1 1 ? 1.126 19.762 13.113 1.00 0.00 ? 1 GLY A O 15 ATOM 21355 H H1 . GLY A 1 1 ? 3.009 16.991 14.407 1.00 0.00 ? 1 GLY A H1 15 ATOM 21356 H HA2 . GLY A 1 1 ? 0.836 16.619 12.932 1.00 0.00 ? 1 GLY A HA2 15 ATOM 21357 H HA3 . GLY A 1 1 ? 0.688 17.208 14.582 1.00 0.00 ? 1 GLY A HA3 15 ATOM 21358 N N . SER A 1 2 ? -0.757 18.630 12.626 1.00 0.00 ? 2 SER A N 15 ATOM 21359 C CA . SER A 1 2 ? -1.453 19.798 12.099 1.00 0.00 ? 2 SER A CA 15 ATOM 21360 C C . SER A 1 2 ? -2.541 20.263 13.063 1.00 0.00 ? 2 SER A C 15 ATOM 21361 O O . SER A 1 2 ? -2.976 19.510 13.934 1.00 0.00 ? 2 SER A O 15 ATOM 21362 C CB . SER A 1 2 ? -2.067 19.480 10.734 1.00 0.00 ? 2 SER A CB 15 ATOM 21363 O OG . SER A 1 2 ? -2.982 18.402 10.826 1.00 0.00 ? 2 SER A OG 15 ATOM 21364 H H . SER A 1 2 ? -1.215 17.764 12.636 1.00 0.00 ? 2 SER A H 15 ATOM 21365 H HA . SER A 1 2 ? -0.729 20.591 11.983 1.00 0.00 ? 2 SER A HA 15 ATOM 21366 H HB2 . SER A 1 2 ? -2.589 20.349 10.366 1.00 0.00 ? 2 SER A HB2 15 ATOM 21367 H HB3 . SER A 1 2 ? -1.281 19.212 10.043 1.00 0.00 ? 2 SER A HB3 15 ATOM 21368 H HG . SER A 1 2 ? -2.820 17.783 10.110 1.00 0.00 ? 2 SER A HG 15 ATOM 21369 N N . SER A 1 3 ? -2.976 21.508 12.899 1.00 0.00 ? 3 SER A N 15 ATOM 21370 C CA . SER A 1 3 ? -4.011 22.075 13.755 1.00 0.00 ? 3 SER A CA 15 ATOM 21371 C C . SER A 1 3 ? -5.265 22.401 12.950 1.00 0.00 ? 3 SER A C 15 ATOM 21372 O O . SER A 1 3 ? -5.202 23.095 11.936 1.00 0.00 ? 3 SER A O 15 ATOM 21373 C CB . SER A 1 3 ? -3.493 23.338 14.448 1.00 0.00 ? 3 SER A CB 15 ATOM 21374 O OG . SER A 1 3 ? -3.287 24.384 13.514 1.00 0.00 ? 3 SER A OG 15 ATOM 21375 H H . SER A 1 3 ? -2.590 22.059 12.186 1.00 0.00 ? 3 SER A H 15 ATOM 21376 H HA . SER A 1 3 ? -4.260 21.340 14.506 1.00 0.00 ? 3 SER A HA 15 ATOM 21377 H HB2 . SER A 1 3 ? -4.214 23.664 15.182 1.00 0.00 ? 3 SER A HB2 15 ATOM 21378 H HB3 . SER A 1 3 ? -2.555 23.118 14.937 1.00 0.00 ? 3 SER A HB3 15 ATOM 21379 H HG . SER A 1 3 ? -2.371 24.382 13.228 1.00 0.00 ? 3 SER A HG 15 ATOM 21380 N N . GLY A 1 4 ? -6.405 21.894 13.410 1.00 0.00 ? 4 GLY A N 15 ATOM 21381 C CA . GLY A 1 4 ? -7.658 22.142 12.722 1.00 0.00 ? 4 GLY A CA 15 ATOM 21382 C C . GLY A 1 4 ? -7.657 21.604 11.305 1.00 0.00 ? 4 GLY A C 15 ATOM 21383 O O . GLY A 1 4 ? -7.990 22.320 10.361 1.00 0.00 ? 4 GLY A O 15 ATOM 21384 H H . GLY A 1 4 ? -6.394 21.348 14.224 1.00 0.00 ? 4 GLY A H 15 ATOM 21385 H HA2 . GLY A 1 4 ? -8.458 21.671 13.274 1.00 0.00 ? 4 GLY A HA2 15 ATOM 21386 H HA3 . GLY A 1 4 ? -7.834 23.207 12.690 1.00 0.00 ? 4 GLY A HA3 15 ATOM 21387 N N . SER A 1 5 ? -7.278 20.338 11.154 1.00 0.00 ? 5 SER A N 15 ATOM 21388 C CA . SER A 1 5 ? -7.230 19.706 9.841 1.00 0.00 ? 5 SER A CA 15 ATOM 21389 C C . SER A 1 5 ? -6.662 20.664 8.797 1.00 0.00 ? 5 SER A C 15 ATOM 21390 O O . SER A 1 5 ? -7.160 20.742 7.674 1.00 0.00 ? 5 SER A O 15 ATOM 21391 C CB . SER A 1 5 ? -8.627 19.246 9.420 1.00 0.00 ? 5 SER A CB 15 ATOM 21392 O OG . SER A 1 5 ? -9.487 20.353 9.211 1.00 0.00 ? 5 SER A OG 15 ATOM 21393 H H . SER A 1 5 ? -7.024 19.818 11.945 1.00 0.00 ? 5 SER A H 15 ATOM 21394 H HA . SER A 1 5 ? -6.582 18.845 9.911 1.00 0.00 ? 5 SER A HA 15 ATOM 21395 H HB2 . SER A 1 5 ? -8.556 18.682 8.503 1.00 0.00 ? 5 SER A HB2 15 ATOM 21396 H HB3 . SER A 1 5 ? -9.045 18.621 10.196 1.00 0.00 ? 5 SER A HB3 15 ATOM 21397 H HG . SER A 1 5 ? -10.199 20.331 9.854 1.00 0.00 ? 5 SER A HG 15 ATOM 21398 N N . SER A 1 6 ? -5.617 21.392 9.178 1.00 0.00 ? 6 SER A N 15 ATOM 21399 C CA . SER A 1 6 ? -4.983 22.348 8.278 1.00 0.00 ? 6 SER A CA 15 ATOM 21400 C C . SER A 1 6 ? -3.726 21.754 7.651 1.00 0.00 ? 6 SER A C 15 ATOM 21401 O O . SER A 1 6 ? -2.840 21.268 8.352 1.00 0.00 ? 6 SER A O 15 ATOM 21402 C CB . SER A 1 6 ? -4.633 23.634 9.030 1.00 0.00 ? 6 SER A CB 15 ATOM 21403 O OG . SER A 1 6 ? -5.803 24.337 9.411 1.00 0.00 ? 6 SER A OG 15 ATOM 21404 H H . SER A 1 6 ? -5.266 21.285 10.087 1.00 0.00 ? 6 SER A H 15 ATOM 21405 H HA . SER A 1 6 ? -5.687 22.581 7.493 1.00 0.00 ? 6 SER A HA 15 ATOM 21406 H HB2 . SER A 1 6 ? -4.071 23.387 9.918 1.00 0.00 ? 6 SER A HB2 15 ATOM 21407 H HB3 . SER A 1 6 ? -4.037 24.270 8.392 1.00 0.00 ? 6 SER A HB3 15 ATOM 21408 H HG . SER A 1 6 ? -6.003 24.150 10.331 1.00 0.00 ? 6 SER A HG 15 ATOM 21409 N N . GLY A 1 7 ? -3.657 21.796 6.324 1.00 0.00 ? 7 GLY A N 15 ATOM 21410 C CA . GLY A 1 7 ? -2.505 21.259 5.624 1.00 0.00 ? 7 GLY A CA 15 ATOM 21411 C C . GLY A 1 7 ? -2.768 21.057 4.145 1.00 0.00 ? 7 GLY A C 15 ATOM 21412 O O . GLY A 1 7 ? -3.352 21.919 3.488 1.00 0.00 ? 7 GLY A O 15 ATOM 21413 H H . GLY A 1 7 ? -4.394 22.196 5.816 1.00 0.00 ? 7 GLY A H 15 ATOM 21414 H HA2 . GLY A 1 7 ? -1.675 21.940 5.742 1.00 0.00 ? 7 GLY A HA2 15 ATOM 21415 H HA3 . GLY A 1 7 ? -2.242 20.308 6.064 1.00 0.00 ? 7 GLY A HA3 15 ATOM 21416 N N . MET A 1 8 ? -2.335 19.916 3.618 1.00 0.00 ? 8 MET A N 15 ATOM 21417 C CA . MET A 1 8 ? -2.526 19.605 2.206 1.00 0.00 ? 8 MET A CA 15 ATOM 21418 C C . MET A 1 8 ? -3.618 18.555 2.025 1.00 0.00 ? 8 MET A C 15 ATOM 21419 O O . MET A 1 8 ? -3.451 17.597 1.272 1.00 0.00 ? 8 MET A O 15 ATOM 21420 C CB . MET A 1 8 ? -1.218 19.108 1.589 1.00 0.00 ? 8 MET A CB 15 ATOM 21421 C CG . MET A 1 8 ? -0.309 20.227 1.108 1.00 0.00 ? 8 MET A CG 15 ATOM 21422 S SD . MET A 1 8 ? -0.862 20.950 -0.449 1.00 0.00 ? 8 MET A SD 15 ATOM 21423 C CE . MET A 1 8 ? 0.497 20.507 -1.528 1.00 0.00 ? 8 MET A CE 15 ATOM 21424 H H . MET A 1 8 ? -1.876 19.268 4.192 1.00 0.00 ? 8 MET A H 15 ATOM 21425 H HA . MET A 1 8 ? -2.828 20.512 1.705 1.00 0.00 ? 8 MET A HA 15 ATOM 21426 H HB2 . MET A 1 8 ? -0.682 18.530 2.328 1.00 0.00 ? 8 MET A HB2 15 ATOM 21427 H HB3 . MET A 1 8 ? -1.448 18.474 0.746 1.00 0.00 ? 8 MET A HB3 15 ATOM 21428 H HG2 . MET A 1 8 ? -0.285 21.002 1.859 1.00 0.00 ? 8 MET A HG2 15 ATOM 21429 H HG3 . MET A 1 8 ? 0.686 19.831 0.972 1.00 0.00 ? 8 MET A HG3 15 ATOM 21430 H HE1 . MET A 1 8 ? 0.122 20.332 -2.526 1.00 0.00 ? 8 MET A HE1 15 ATOM 21431 H HE2 . MET A 1 8 ? 1.216 21.313 -1.551 1.00 0.00 ? 8 MET A HE2 15 ATOM 21432 H HE3 . MET A 1 8 ? 0.972 19.610 -1.159 1.00 0.00 ? 8 MET A HE3 15 ATOM 21433 N N . GLU A 1 9 ? -4.736 18.744 2.719 1.00 0.00 ? 9 GLU A N 15 ATOM 21434 C CA . GLU A 1 9 ? -5.854 17.812 2.634 1.00 0.00 ? 9 GLU A CA 15 ATOM 21435 C C . GLU A 1 9 ? -6.142 17.438 1.183 1.00 0.00 ? 9 GLU A C 15 ATOM 21436 O O . GLU A 1 9 ? -6.750 16.406 0.905 1.00 0.00 ? 9 GLU A O 15 ATOM 21437 C CB . GLU A 1 9 ? -7.104 18.421 3.273 1.00 0.00 ? 9 GLU A CB 15 ATOM 21438 C CG . GLU A 1 9 ? -8.036 17.392 3.889 1.00 0.00 ? 9 GLU A CG 15 ATOM 21439 C CD . GLU A 1 9 ? -9.480 17.854 3.917 1.00 0.00 ? 9 GLU A CD 15 ATOM 21440 O OE1 . GLU A 1 9 ? -9.737 18.966 4.425 1.00 0.00 ? 9 GLU A OE1 15 ATOM 21441 O OE2 . GLU A 1 9 ? -10.353 17.105 3.431 1.00 0.00 ? 9 GLU A OE2 15 ATOM 21442 H H . GLU A 1 9 ? -4.810 19.528 3.303 1.00 0.00 ? 9 GLU A H 15 ATOM 21443 H HA . GLU A 1 9 ? -5.584 16.919 3.177 1.00 0.00 ? 9 GLU A HA 15 ATOM 21444 H HB2 . GLU A 1 9 ? -6.800 19.111 4.046 1.00 0.00 ? 9 GLU A HB2 15 ATOM 21445 H HB3 . GLU A 1 9 ? -7.652 18.964 2.516 1.00 0.00 ? 9 GLU A HB3 15 ATOM 21446 H HG2 . GLU A 1 9 ? -7.977 16.481 3.313 1.00 0.00 ? 9 GLU A HG2 15 ATOM 21447 H HG3 . GLU A 1 9 ? -7.717 17.197 4.903 1.00 0.00 ? 9 GLU A HG3 15 ATOM 21448 N N . GLY A 1 10 ? -5.699 18.288 0.260 1.00 0.00 ? 10 GLY A N 15 ATOM 21449 C CA . GLY A 1 10 ? -5.918 18.030 -1.151 1.00 0.00 ? 10 GLY A CA 15 ATOM 21450 C C . GLY A 1 10 ? -5.361 16.690 -1.589 1.00 0.00 ? 10 GLY A C 15 ATOM 21451 O O . GLY A 1 10 ? -6.073 15.687 -1.646 1.00 0.00 ? 10 GLY A O 15 ATOM 21452 H H . GLY A 1 10 ? -5.220 19.096 0.540 1.00 0.00 ? 10 GLY A H 15 ATOM 21453 H HA2 . GLY A 1 10 ? -6.980 18.049 -1.348 1.00 0.00 ? 10 GLY A HA2 15 ATOM 21454 H HA3 . GLY A 1 10 ? -5.441 18.810 -1.726 1.00 0.00 ? 10 GLY A HA3 15 ATOM 21455 N N . PRO A 1 11 ? -4.059 16.663 -1.910 1.00 0.00 ? 11 PRO A N 15 ATOM 21456 C CA . PRO A 1 11 ? -3.379 15.442 -2.352 1.00 0.00 ? 11 PRO A CA 15 ATOM 21457 C C . PRO A 1 11 ? -3.224 14.424 -1.227 1.00 0.00 ? 11 PRO A C 15 ATOM 21458 O O . PRO A 1 11 ? -2.932 13.253 -1.471 1.00 0.00 ? 11 PRO A O 15 ATOM 21459 C CB . PRO A 1 11 ? -2.008 15.946 -2.809 1.00 0.00 ? 11 PRO A CB 15 ATOM 21460 C CG . PRO A 1 11 ? -1.791 17.204 -2.041 1.00 0.00 ? 11 PRO A CG 15 ATOM 21461 C CD . PRO A 1 11 ? -3.151 17.821 -1.865 1.00 0.00 ? 11 PRO A CD 15 ATOM 21462 H HA . PRO A 1 11 ? -3.891 14.981 -3.184 1.00 0.00 ? 11 PRO A HA 15 ATOM 21463 H HB2 . PRO A 1 11 ? -1.254 15.206 -2.579 1.00 0.00 ? 11 PRO A HB2 15 ATOM 21464 H HB3 . PRO A 1 11 ? -2.025 16.131 -3.873 1.00 0.00 ? 11 PRO A HB3 15 ATOM 21465 H HG2 . PRO A 1 11 ? -1.354 16.977 -1.080 1.00 0.00 ? 11 PRO A HG2 15 ATOM 21466 H HG3 . PRO A 1 11 ? -1.148 17.869 -2.599 1.00 0.00 ? 11 PRO A HG3 15 ATOM 21467 H HD2 . PRO A 1 11 ? -3.216 18.325 -0.912 1.00 0.00 ? 11 PRO A HD2 15 ATOM 21468 H HD3 . PRO A 1 11 ? -3.362 18.507 -2.672 1.00 0.00 ? 11 PRO A HD3 15 ATOM 21469 N N . LEU A 1 12 ? -3.421 14.878 0.006 1.00 0.00 ? 12 LEU A N 15 ATOM 21470 C CA . LEU A 1 12 ? -3.304 14.007 1.170 1.00 0.00 ? 12 LEU A CA 15 ATOM 21471 C C . LEU A 1 12 ? -4.473 13.029 1.238 1.00 0.00 ? 12 LEU A C 15 ATOM 21472 O O . LEU A 1 12 ? -4.292 11.820 1.099 1.00 0.00 ? 12 LEU A O 15 ATOM 21473 C CB . LEU A 1 12 ? -3.245 14.840 2.452 1.00 0.00 ? 12 LEU A CB 15 ATOM 21474 C CG . LEU A 1 12 ? -1.884 15.446 2.797 1.00 0.00 ? 12 LEU A CG 15 ATOM 21475 C CD1 . LEU A 1 12 ? -2.026 16.483 3.900 1.00 0.00 ? 12 LEU A CD1 15 ATOM 21476 C CD2 . LEU A 1 12 ? -0.904 14.357 3.208 1.00 0.00 ? 12 LEU A CD2 15 ATOM 21477 H H . LEU A 1 12 ? -3.651 15.821 0.138 1.00 0.00 ? 12 LEU A H 15 ATOM 21478 H HA . LEU A 1 12 ? -2.386 13.445 1.073 1.00 0.00 ? 12 LEU A HA 15 ATOM 21479 H HB2 . LEU A 1 12 ? -3.951 15.649 2.352 1.00 0.00 ? 12 LEU A HB2 15 ATOM 21480 H HB3 . LEU A 1 12 ? -3.542 14.203 3.273 1.00 0.00 ? 12 LEU A HB3 15 ATOM 21481 H HG . LEU A 1 12 ? -1.486 15.942 1.922 1.00 0.00 ? 12 LEU A HG 15 ATOM 21482 H HD11 . LEU A 1 12 ? -2.940 17.039 3.756 1.00 0.00 ? 12 LEU A HD11 15 ATOM 21483 H HD12 . LEU A 1 12 ? -1.184 17.159 3.868 1.00 0.00 ? 12 LEU A HD12 15 ATOM 21484 H HD13 . LEU A 1 12 ? -2.053 15.986 4.859 1.00 0.00 ? 12 LEU A HD13 15 ATOM 21485 H HD21 . LEU A 1 12 ? -1.419 13.616 3.802 1.00 0.00 ? 12 LEU A HD21 15 ATOM 21486 H HD22 . LEU A 1 12 ? -0.105 14.793 3.790 1.00 0.00 ? 12 LEU A HD22 15 ATOM 21487 H HD23 . LEU A 1 12 ? -0.494 13.889 2.326 1.00 0.00 ? 12 LEU A HD23 15 ATOM 21488 N N . ASN A 1 13 ? -5.671 13.562 1.452 1.00 0.00 ? 13 ASN A N 15 ATOM 21489 C CA . ASN A 1 13 ? -6.871 12.737 1.536 1.00 0.00 ? 13 ASN A CA 15 ATOM 21490 C C . ASN A 1 13 ? -6.900 11.703 0.415 1.00 0.00 ? 13 ASN A C 15 ATOM 21491 O O . ASN A 1 13 ? -6.965 10.499 0.667 1.00 0.00 ? 13 ASN A O 15 ATOM 21492 C CB . ASN A 1 13 ? -8.123 13.613 1.471 1.00 0.00 ? 13 ASN A CB 15 ATOM 21493 C CG . ASN A 1 13 ? -9.377 12.859 1.870 1.00 0.00 ? 13 ASN A CG 15 ATOM 21494 O OD1 . ASN A 1 13 ? -9.455 11.639 1.724 1.00 0.00 ? 13 ASN A OD1 15 ATOM 21495 N ND2 . ASN A 1 13 ? -10.368 13.585 2.376 1.00 0.00 ? 13 ASN A ND2 15 ATOM 21496 H H . ASN A 1 13 ? -5.752 14.533 1.554 1.00 0.00 ? 13 ASN A H 15 ATOM 21497 H HA . ASN A 1 13 ? -6.852 12.222 2.485 1.00 0.00 ? 13 ASN A HA 15 ATOM 21498 H HB2 . ASN A 1 13 ? -8.003 14.453 2.140 1.00 0.00 ? 13 ASN A HB2 15 ATOM 21499 H HB3 . ASN A 1 13 ? -8.249 13.976 0.462 1.00 0.00 ? 13 ASN A HB3 15 ATOM 21500 H HD21 . ASN A 1 13 ? -10.236 14.552 2.463 1.00 0.00 ? 13 ASN A HD21 15 ATOM 21501 H HD22 . ASN A 1 13 ? -11.190 13.123 2.644 1.00 0.00 ? 13 ASN A HD22 15 ATOM 21502 N N . LEU A 1 14 ? -6.851 12.181 -0.824 1.00 0.00 ? 14 LEU A N 15 ATOM 21503 C CA . LEU A 1 14 ? -6.872 11.298 -1.985 1.00 0.00 ? 14 LEU A CA 15 ATOM 21504 C C . LEU A 1 14 ? -5.930 10.115 -1.787 1.00 0.00 ? 14 LEU A C 15 ATOM 21505 O O . LEU A 1 14 ? -6.293 8.969 -2.051 1.00 0.00 ? 14 LEU A O 15 ATOM 21506 C CB . LEU A 1 14 ? -6.478 12.072 -3.245 1.00 0.00 ? 14 LEU A CB 15 ATOM 21507 C CG . LEU A 1 14 ? -7.546 13.001 -3.823 1.00 0.00 ? 14 LEU A CG 15 ATOM 21508 C CD1 . LEU A 1 14 ? -6.909 14.057 -4.714 1.00 0.00 ? 14 LEU A CD1 15 ATOM 21509 C CD2 . LEU A 1 14 ? -8.585 12.203 -4.597 1.00 0.00 ? 14 LEU A CD2 15 ATOM 21510 H H . LEU A 1 14 ? -6.800 13.149 -0.962 1.00 0.00 ? 14 LEU A H 15 ATOM 21511 H HA . LEU A 1 14 ? -7.879 10.926 -2.101 1.00 0.00 ? 14 LEU A HA 15 ATOM 21512 H HB2 . LEU A 1 14 ? -5.612 12.670 -3.008 1.00 0.00 ? 14 LEU A HB2 15 ATOM 21513 H HB3 . LEU A 1 14 ? -6.218 11.351 -4.007 1.00 0.00 ? 14 LEU A HB3 15 ATOM 21514 H HG . LEU A 1 14 ? -8.049 13.509 -3.012 1.00 0.00 ? 14 LEU A HG 15 ATOM 21515 H HD11 . LEU A 1 14 ? -6.047 13.637 -5.210 1.00 0.00 ? 14 LEU A HD11 15 ATOM 21516 H HD12 . LEU A 1 14 ? -6.603 14.899 -4.111 1.00 0.00 ? 14 LEU A HD12 15 ATOM 21517 H HD13 . LEU A 1 14 ? -7.626 14.385 -5.452 1.00 0.00 ? 14 LEU A HD13 15 ATOM 21518 H HD21 . LEU A 1 14 ? -8.091 11.604 -5.348 1.00 0.00 ? 14 LEU A HD21 15 ATOM 21519 H HD22 . LEU A 1 14 ? -9.276 12.882 -5.076 1.00 0.00 ? 14 LEU A HD22 15 ATOM 21520 H HD23 . LEU A 1 14 ? -9.123 11.559 -3.918 1.00 0.00 ? 14 LEU A HD23 15 ATOM 21521 N N . ALA A 1 15 ? -4.720 10.400 -1.317 1.00 0.00 ? 15 ALA A N 15 ATOM 21522 C CA . ALA A 1 15 ? -3.728 9.359 -1.079 1.00 0.00 ? 15 ALA A CA 15 ATOM 21523 C C . ALA A 1 15 ? -4.210 8.374 -0.020 1.00 0.00 ? 15 ALA A C 15 ATOM 21524 O O . ALA A 1 15 ? -3.968 7.170 -0.121 1.00 0.00 ? 15 ALA A O 15 ATOM 21525 C CB . ALA A 1 15 ? -2.403 9.979 -0.661 1.00 0.00 ? 15 ALA A CB 15 ATOM 21526 H H . ALA A 1 15 ? -4.490 11.333 -1.125 1.00 0.00 ? 15 ALA A H 15 ATOM 21527 H HA . ALA A 1 15 ? -3.572 8.828 -2.007 1.00 0.00 ? 15 ALA A HA 15 ATOM 21528 H HB1 . ALA A 1 15 ? -2.578 10.969 -0.265 1.00 0.00 ? 15 ALA A HB1 15 ATOM 21529 H HB2 . ALA A 1 15 ? -1.941 9.364 0.097 1.00 0.00 ? 15 ALA A HB2 15 ATOM 21530 H HB3 . ALA A 1 15 ? -1.750 10.045 -1.519 1.00 0.00 ? 15 ALA A HB3 15 ATOM 21531 N N . HIS A 1 16 ? -4.893 8.891 0.997 1.00 0.00 ? 16 HIS A N 15 ATOM 21532 C CA . HIS A 1 16 ? -5.409 8.055 2.075 1.00 0.00 ? 16 HIS A CA 15 ATOM 21533 C C . HIS A 1 16 ? -6.495 7.115 1.561 1.00 0.00 ? 16 HIS A C 15 ATOM 21534 O O . HIS A 1 16 ? -6.509 5.930 1.892 1.00 0.00 ? 16 HIS A O 15 ATOM 21535 C CB . HIS A 1 16 ? -5.964 8.926 3.202 1.00 0.00 ? 16 HIS A CB 15 ATOM 21536 C CG . HIS A 1 16 ? -4.971 9.907 3.746 1.00 0.00 ? 16 HIS A CG 15 ATOM 21537 N ND1 . HIS A 1 16 ? -5.118 10.529 4.968 1.00 0.00 ? 16 HIS A ND1 15 ATOM 21538 C CD2 . HIS A 1 16 ? -3.810 10.372 3.227 1.00 0.00 ? 16 HIS A CD2 15 ATOM 21539 C CE1 . HIS A 1 16 ? -4.092 11.334 5.176 1.00 0.00 ? 16 HIS A CE1 15 ATOM 21540 N NE2 . HIS A 1 16 ? -3.284 11.257 4.135 1.00 0.00 ? 16 HIS A NE2 15 ATOM 21541 H H . HIS A 1 16 ? -5.053 9.857 1.022 1.00 0.00 ? 16 HIS A H 15 ATOM 21542 H HA . HIS A 1 16 ? -4.591 7.465 2.458 1.00 0.00 ? 16 HIS A HA 15 ATOM 21543 H HB2 . HIS A 1 16 ? -6.812 9.484 2.833 1.00 0.00 ? 16 HIS A HB2 15 ATOM 21544 H HB3 . HIS A 1 16 ? -6.283 8.291 4.016 1.00 0.00 ? 16 HIS A HB3 15 ATOM 21545 H HD1 . HIS A 1 16 ? -5.865 10.400 5.589 1.00 0.00 ? 16 HIS A HD1 15 ATOM 21546 H HD2 . HIS A 1 16 ? -3.378 10.097 2.274 1.00 0.00 ? 16 HIS A HD2 15 ATOM 21547 H HE1 . HIS A 1 16 ? -3.939 11.951 6.049 1.00 0.00 ? 16 HIS A HE1 15 ATOM 21548 H HE2 . HIS A 1 16 ? -2.491 11.815 3.993 1.00 0.00 ? 16 HIS A HE2 15 ATOM 21549 N N . GLN A 1 17 ? -7.402 7.652 0.752 1.00 0.00 ? 17 GLN A N 15 ATOM 21550 C CA . GLN A 1 17 ? -8.492 6.861 0.195 1.00 0.00 ? 17 GLN A CA 15 ATOM 21551 C C . GLN A 1 17 ? -7.996 5.491 -0.256 1.00 0.00 ? 17 GLN A C 15 ATOM 21552 O O . GLN A 1 17 ? -8.455 4.461 0.237 1.00 0.00 ? 17 GLN A O 15 ATOM 21553 C CB . GLN A 1 17 ? -9.134 7.596 -0.983 1.00 0.00 ? 17 GLN A CB 15 ATOM 21554 C CG . GLN A 1 17 ? -9.960 8.803 -0.570 1.00 0.00 ? 17 GLN A CG 15 ATOM 21555 C CD . GLN A 1 17 ? -11.060 9.126 -1.562 1.00 0.00 ? 17 GLN A CD 15 ATOM 21556 O OE1 . GLN A 1 17 ? -11.271 8.396 -2.531 1.00 0.00 ? 17 GLN A OE1 15 ATOM 21557 N NE2 . GLN A 1 17 ? -11.768 10.224 -1.325 1.00 0.00 ? 17 GLN A NE2 15 ATOM 21558 H H . GLN A 1 17 ? -7.337 8.603 0.525 1.00 0.00 ? 17 GLN A H 15 ATOM 21559 H HA . GLN A 1 17 ? -9.233 6.724 0.968 1.00 0.00 ? 17 GLN A HA 15 ATOM 21560 H HB2 . GLN A 1 17 ? -8.355 7.931 -1.651 1.00 0.00 ? 17 GLN A HB2 15 ATOM 21561 H HB3 . GLN A 1 17 ? -9.780 6.910 -1.512 1.00 0.00 ? 17 GLN A HB3 15 ATOM 21562 H HG2 . GLN A 1 17 ? -10.411 8.603 0.391 1.00 0.00 ? 17 GLN A HG2 15 ATOM 21563 H HG3 . GLN A 1 17 ? -9.306 9.659 -0.488 1.00 0.00 ? 17 GLN A HG3 15 ATOM 21564 H HE21 . GLN A 1 17 ? -11.542 10.758 -0.534 1.00 0.00 ? 17 GLN A HE21 15 ATOM 21565 H HE22 . GLN A 1 17 ? -12.484 10.457 -1.951 1.00 0.00 ? 17 GLN A HE22 15 ATOM 21566 N N . GLN A 1 18 ? -7.055 5.487 -1.195 1.00 0.00 ? 18 GLN A N 15 ATOM 21567 C CA . GLN A 1 18 ? -6.497 4.243 -1.712 1.00 0.00 ? 18 GLN A CA 15 ATOM 21568 C C . GLN A 1 18 ? -5.664 3.536 -0.647 1.00 0.00 ? 18 GLN A C 15 ATOM 21569 O O . GLN A 1 18 ? -5.752 2.320 -0.484 1.00 0.00 ? 18 GLN A O 15 ATOM 21570 C CB . GLN A 1 18 ? -5.638 4.519 -2.947 1.00 0.00 ? 18 GLN A CB 15 ATOM 21571 C CG . GLN A 1 18 ? -4.455 5.434 -2.674 1.00 0.00 ? 18 GLN A CG 15 ATOM 21572 C CD . GLN A 1 18 ? -3.695 5.797 -3.935 1.00 0.00 ? 18 GLN A CD 15 ATOM 21573 O OE1 . GLN A 1 18 ? -3.238 6.929 -4.093 1.00 0.00 ? 18 GLN A OE1 15 ATOM 21574 N NE2 . GLN A 1 18 ? -3.555 4.835 -4.840 1.00 0.00 ? 18 GLN A NE2 15 ATOM 21575 H H . GLN A 1 18 ? -6.729 6.341 -1.548 1.00 0.00 ? 18 GLN A H 15 ATOM 21576 H HA . GLN A 1 18 ? -7.319 3.603 -1.992 1.00 0.00 ? 18 GLN A HA 15 ATOM 21577 H HB2 . GLN A 1 18 ? -5.261 3.581 -3.326 1.00 0.00 ? 18 GLN A HB2 15 ATOM 21578 H HB3 . GLN A 1 18 ? -6.256 4.982 -3.703 1.00 0.00 ? 18 GLN A HB3 15 ATOM 21579 H HG2 . GLN A 1 18 ? -4.817 6.343 -2.217 1.00 0.00 ? 18 GLN A HG2 15 ATOM 21580 H HG3 . GLN A 1 18 ? -3.780 4.935 -1.995 1.00 0.00 ? 18 GLN A HG3 15 ATOM 21581 H HE21 . GLN A 1 18 ? -3.947 3.958 -4.646 1.00 0.00 ? 18 GLN A HE21 15 ATOM 21582 H HE22 . GLN A 1 18 ? -3.069 5.042 -5.664 1.00 0.00 ? 18 GLN A HE22 15 ATOM 21583 N N . SER A 1 19 ? -4.856 4.307 0.074 1.00 0.00 ? 19 SER A N 15 ATOM 21584 C CA . SER A 1 19 ? -4.005 3.754 1.120 1.00 0.00 ? 19 SER A CA 15 ATOM 21585 C C . SER A 1 19 ? -4.759 2.711 1.940 1.00 0.00 ? 19 SER A C 15 ATOM 21586 O O . SER A 1 19 ? -4.154 1.831 2.552 1.00 0.00 ? 19 SER A O 15 ATOM 21587 C CB . SER A 1 19 ? -3.496 4.869 2.036 1.00 0.00 ? 19 SER A CB 15 ATOM 21588 O OG . SER A 1 19 ? -2.585 4.364 2.997 1.00 0.00 ? 19 SER A OG 15 ATOM 21589 H H . SER A 1 19 ? -4.831 5.271 -0.104 1.00 0.00 ? 19 SER A H 15 ATOM 21590 H HA . SER A 1 19 ? -3.160 3.279 0.644 1.00 0.00 ? 19 SER A HA 15 ATOM 21591 H HB2 . SER A 1 19 ? -2.996 5.619 1.443 1.00 0.00 ? 19 SER A HB2 15 ATOM 21592 H HB3 . SER A 1 19 ? -4.333 5.318 2.551 1.00 0.00 ? 19 SER A HB3 15 ATOM 21593 H HG . SER A 1 19 ? -2.972 4.436 3.873 1.00 0.00 ? 19 SER A HG 15 ATOM 21594 N N . ARG A 1 20 ? -6.083 2.818 1.946 1.00 0.00 ? 20 ARG A N 15 ATOM 21595 C CA . ARG A 1 20 ? -6.921 1.886 2.691 1.00 0.00 ? 20 ARG A CA 15 ATOM 21596 C C . ARG A 1 20 ? -7.076 0.570 1.934 1.00 0.00 ? 20 ARG A C 15 ATOM 21597 O O . ARG A 1 20 ? -7.027 -0.508 2.527 1.00 0.00 ? 20 ARG A O 15 ATOM 21598 C CB . ARG A 1 20 ? -8.297 2.501 2.953 1.00 0.00 ? 20 ARG A CB 15 ATOM 21599 C CG . ARG A 1 20 ? -8.282 3.607 3.995 1.00 0.00 ? 20 ARG A CG 15 ATOM 21600 C CD . ARG A 1 20 ? -7.974 3.062 5.381 1.00 0.00 ? 20 ARG A CD 15 ATOM 21601 N NE . ARG A 1 20 ? -8.552 3.891 6.436 1.00 0.00 ? 20 ARG A NE 15 ATOM 21602 C CZ . ARG A 1 20 ? -8.142 3.864 7.699 1.00 0.00 ? 20 ARG A CZ 15 ATOM 21603 N NH1 . ARG A 1 20 ? -7.157 3.054 8.063 1.00 0.00 ? 20 ARG A NH1 15 ATOM 21604 N NH2 . ARG A 1 20 ? -8.717 4.648 8.601 1.00 0.00 ? 20 ARG A NH2 15 ATOM 21605 H H . ARG A 1 20 ? -6.508 3.541 1.439 1.00 0.00 ? 20 ARG A H 15 ATOM 21606 H HA . ARG A 1 20 ? -6.439 1.689 3.637 1.00 0.00 ? 20 ARG A HA 15 ATOM 21607 H HB2 . ARG A 1 20 ? -8.676 2.912 2.029 1.00 0.00 ? 20 ARG A HB2 15 ATOM 21608 H HB3 . ARG A 1 20 ? -8.966 1.724 3.293 1.00 0.00 ? 20 ARG A HB3 15 ATOM 21609 H HG2 . ARG A 1 20 ? -7.525 4.330 3.728 1.00 0.00 ? 20 ARG A HG2 15 ATOM 21610 H HG3 . ARG A 1 20 ? -9.250 4.085 4.012 1.00 0.00 ? 20 ARG A HG3 15 ATOM 21611 H HD2 . ARG A 1 20 ? -8.378 2.064 5.459 1.00 0.00 ? 20 ARG A HD2 15 ATOM 21612 H HD3 . ARG A 1 20 ? -6.902 3.027 5.509 1.00 0.00 ? 20 ARG A HD3 15 ATOM 21613 H HE . ARG A 1 20 ? -9.281 4.496 6.189 1.00 0.00 ? 20 ARG A HE 15 ATOM 21614 H HH11 . ARG A 1 20 ? -6.721 2.463 7.385 1.00 0.00 ? 20 ARG A HH11 15 ATOM 21615 H HH12 . ARG A 1 20 ? -6.849 3.037 9.014 1.00 0.00 ? 20 ARG A HH12 15 ATOM 21616 H HH21 . ARG A 1 20 ? -9.460 5.260 8.331 1.00 0.00 ? 20 ARG A HH21 15 ATOM 21617 H HH22 . ARG A 1 20 ? -8.409 4.627 9.552 1.00 0.00 ? 20 ARG A HH22 15 ATOM 21618 N N . ARG A 1 21 ? -7.262 0.666 0.622 1.00 0.00 ? 21 ARG A N 15 ATOM 21619 C CA . ARG A 1 21 ? -7.426 -0.516 -0.215 1.00 0.00 ? 21 ARG A CA 15 ATOM 21620 C C . ARG A 1 21 ? -6.269 -1.490 -0.012 1.00 0.00 ? 21 ARG A C 15 ATOM 21621 O O . ARG A 1 21 ? -6.479 -2.687 0.183 1.00 0.00 ? 21 ARG A O 15 ATOM 21622 C CB . ARG A 1 21 ? -7.516 -0.115 -1.689 1.00 0.00 ? 21 ARG A CB 15 ATOM 21623 C CG . ARG A 1 21 ? -7.313 -1.275 -2.649 1.00 0.00 ? 21 ARG A CG 15 ATOM 21624 C CD . ARG A 1 21 ? -7.275 -0.803 -4.094 1.00 0.00 ? 21 ARG A CD 15 ATOM 21625 N NE . ARG A 1 21 ? -7.227 -1.919 -5.034 1.00 0.00 ? 21 ARG A NE 15 ATOM 21626 C CZ . ARG A 1 21 ? -8.287 -2.648 -5.364 1.00 0.00 ? 21 ARG A CZ 15 ATOM 21627 N NH1 . ARG A 1 21 ? -9.472 -2.380 -4.832 1.00 0.00 ? 21 ARG A NH1 15 ATOM 21628 N NH2 . ARG A 1 21 ? -8.164 -3.648 -6.227 1.00 0.00 ? 21 ARG A NH2 15 ATOM 21629 H H . ARG A 1 21 ? -7.291 1.553 0.207 1.00 0.00 ? 21 ARG A H 15 ATOM 21630 H HA . ARG A 1 21 ? -8.345 -1.003 0.073 1.00 0.00 ? 21 ARG A HA 15 ATOM 21631 H HB2 . ARG A 1 21 ? -8.491 0.310 -1.875 1.00 0.00 ? 21 ARG A HB2 15 ATOM 21632 H HB3 . ARG A 1 21 ? -6.762 0.630 -1.893 1.00 0.00 ? 21 ARG A HB3 15 ATOM 21633 H HG2 . ARG A 1 21 ? -6.377 -1.763 -2.417 1.00 0.00 ? 21 ARG A HG2 15 ATOM 21634 H HG3 . ARG A 1 21 ? -8.125 -1.976 -2.530 1.00 0.00 ? 21 ARG A HG3 15 ATOM 21635 H HD2 . ARG A 1 21 ? -8.161 -0.217 -4.290 1.00 0.00 ? 21 ARG A HD2 15 ATOM 21636 H HD3 . ARG A 1 21 ? -6.399 -0.188 -4.234 1.00 0.00 ? 21 ARG A HD3 15 ATOM 21637 H HE . ARG A 1 21 ? -6.361 -2.135 -5.439 1.00 0.00 ? 21 ARG A HE 15 ATOM 21638 H HH11 . ARG A 1 21 ? -9.568 -1.626 -4.182 1.00 0.00 ? 21 ARG A HH11 15 ATOM 21639 H HH12 . ARG A 1 21 ? -10.269 -2.930 -5.083 1.00 0.00 ? 21 ARG A HH12 15 ATOM 21640 H HH21 . ARG A 1 21 ? -7.272 -3.853 -6.630 1.00 0.00 ? 21 ARG A HH21 15 ATOM 21641 H HH22 . ARG A 1 21 ? -8.962 -4.197 -6.474 1.00 0.00 ? 21 ARG A HH22 15 ATOM 21642 N N . ALA A 1 22 ? -5.047 -0.969 -0.060 1.00 0.00 ? 22 ALA A N 15 ATOM 21643 C CA . ALA A 1 22 ? -3.858 -1.792 0.120 1.00 0.00 ? 22 ALA A CA 15 ATOM 21644 C C . ALA A 1 22 ? -3.974 -2.659 1.368 1.00 0.00 ? 22 ALA A C 15 ATOM 21645 O O . ALA A 1 22 ? -3.450 -3.772 1.413 1.00 0.00 ? 22 ALA A O 15 ATOM 21646 C CB . ALA A 1 22 ? -2.617 -0.915 0.198 1.00 0.00 ? 22 ALA A CB 15 ATOM 21647 H H . ALA A 1 22 ? -4.944 -0.007 -0.219 1.00 0.00 ? 22 ALA A H 15 ATOM 21648 H HA . ALA A 1 22 ? -3.761 -2.433 -0.745 1.00 0.00 ? 22 ALA A HA 15 ATOM 21649 H HB1 . ALA A 1 22 ? -2.335 -0.783 1.233 1.00 0.00 ? 22 ALA A HB1 15 ATOM 21650 H HB2 . ALA A 1 22 ? -1.808 -1.388 -0.339 1.00 0.00 ? 22 ALA A HB2 15 ATOM 21651 H HB3 . ALA A 1 22 ? -2.828 0.048 -0.244 1.00 0.00 ? 22 ALA A HB3 15 ATOM 21652 N N . ASP A 1 23 ? -4.663 -2.143 2.380 1.00 0.00 ? 23 ASP A N 15 ATOM 21653 C CA . ASP A 1 23 ? -4.849 -2.872 3.629 1.00 0.00 ? 23 ASP A CA 15 ATOM 21654 C C . ASP A 1 23 ? -5.866 -3.995 3.457 1.00 0.00 ? 23 ASP A C 15 ATOM 21655 O O . ASP A 1 23 ? -5.586 -5.153 3.771 1.00 0.00 ? 23 ASP A O 15 ATOM 21656 C CB . ASP A 1 23 ? -5.304 -1.920 4.736 1.00 0.00 ? 23 ASP A CB 15 ATOM 21657 C CG . ASP A 1 23 ? -5.131 -2.516 6.120 1.00 0.00 ? 23 ASP A CG 15 ATOM 21658 O OD1 . ASP A 1 23 ? -5.813 -3.516 6.424 1.00 0.00 ? 23 ASP A OD1 15 ATOM 21659 O OD2 . ASP A 1 23 ? -4.314 -1.981 6.898 1.00 0.00 ? 23 ASP A OD2 15 ATOM 21660 H H . ASP A 1 23 ? -5.057 -1.251 2.283 1.00 0.00 ? 23 ASP A H 15 ATOM 21661 H HA . ASP A 1 23 ? -3.898 -3.302 3.906 1.00 0.00 ? 23 ASP A HA 15 ATOM 21662 H HB2 . ASP A 1 23 ? -4.724 -1.010 4.682 1.00 0.00 ? 23 ASP A HB2 15 ATOM 21663 H HB3 . ASP A 1 23 ? -6.348 -1.685 4.593 1.00 0.00 ? 23 ASP A HB3 15 ATOM 21664 N N . ARG A 1 24 ? -7.047 -3.646 2.959 1.00 0.00 ? 24 ARG A N 15 ATOM 21665 C CA . ARG A 1 24 ? -8.107 -4.625 2.747 1.00 0.00 ? 24 ARG A CA 15 ATOM 21666 C C . ARG A 1 24 ? -7.598 -5.809 1.930 1.00 0.00 ? 24 ARG A C 15 ATOM 21667 O O . ARG A 1 24 ? -7.933 -6.961 2.211 1.00 0.00 ? 24 ARG A O 15 ATOM 21668 C CB . ARG A 1 24 ? -9.296 -3.975 2.038 1.00 0.00 ? 24 ARG A CB 15 ATOM 21669 C CG . ARG A 1 24 ? -9.949 -2.861 2.840 1.00 0.00 ? 24 ARG A CG 15 ATOM 21670 C CD . ARG A 1 24 ? -10.962 -3.408 3.832 1.00 0.00 ? 24 ARG A CD 15 ATOM 21671 N NE . ARG A 1 24 ? -11.759 -2.347 4.442 1.00 0.00 ? 24 ARG A NE 15 ATOM 21672 C CZ . ARG A 1 24 ? -11.275 -1.476 5.320 1.00 0.00 ? 24 ARG A CZ 15 ATOM 21673 N NH1 . ARG A 1 24 ? -10.003 -1.539 5.688 1.00 0.00 ? 24 ARG A NH1 15 ATOM 21674 N NH2 . ARG A 1 24 ? -12.063 -0.538 5.830 1.00 0.00 ? 24 ARG A NH2 15 ATOM 21675 H H . ARG A 1 24 ? -7.211 -2.708 2.728 1.00 0.00 ? 24 ARG A H 15 ATOM 21676 H HA . ARG A 1 24 ? -8.427 -4.982 3.715 1.00 0.00 ? 24 ARG A HA 15 ATOM 21677 H HB2 . ARG A 1 24 ? -8.959 -3.563 1.098 1.00 0.00 ? 24 ARG A HB2 15 ATOM 21678 H HB3 . ARG A 1 24 ? -10.041 -4.733 1.844 1.00 0.00 ? 24 ARG A HB3 15 ATOM 21679 H HG2 . ARG A 1 24 ? -9.184 -2.325 3.382 1.00 0.00 ? 24 ARG A HG2 15 ATOM 21680 H HG3 . ARG A 1 24 ? -10.450 -2.188 2.160 1.00 0.00 ? 24 ARG A HG3 15 ATOM 21681 H HD2 . ARG A 1 24 ? -11.622 -4.088 3.315 1.00 0.00 ? 24 ARG A HD2 15 ATOM 21682 H HD3 . ARG A 1 24 ? -10.434 -3.940 4.609 1.00 0.00 ? 24 ARG A HD3 15 ATOM 21683 H HE . ARG A 1 24 ? -12.702 -2.282 4.183 1.00 0.00 ? 24 ARG A HE 15 ATOM 21684 H HH11 . ARG A 1 24 ? -9.406 -2.244 5.305 1.00 0.00 ? 24 ARG A HH11 15 ATOM 21685 H HH12 . ARG A 1 24 ? -9.640 -0.881 6.349 1.00 0.00 ? 24 ARG A HH12 15 ATOM 21686 H HH21 . ARG A 1 24 ? -13.022 -0.487 5.554 1.00 0.00 ? 24 ARG A HH21 15 ATOM 21687 H HH22 . ARG A 1 24 ? -11.697 0.117 6.491 1.00 0.00 ? 24 ARG A HH22 15 ATOM 21688 N N . LEU A 1 25 ? -6.789 -5.518 0.918 1.00 0.00 ? 25 LEU A N 15 ATOM 21689 C CA . LEU A 1 25 ? -6.234 -6.558 0.059 1.00 0.00 ? 25 LEU A CA 15 ATOM 21690 C C . LEU A 1 25 ? -5.287 -7.463 0.841 1.00 0.00 ? 25 LEU A C 15 ATOM 21691 O O . LEU A 1 25 ? -5.355 -8.689 0.736 1.00 0.00 ? 25 LEU A O 15 ATOM 21692 C CB . LEU A 1 25 ? -5.495 -5.930 -1.124 1.00 0.00 ? 25 LEU A CB 15 ATOM 21693 C CG . LEU A 1 25 ? -6.374 -5.375 -2.246 1.00 0.00 ? 25 LEU A CG 15 ATOM 21694 C CD1 . LEU A 1 25 ? -5.648 -4.268 -2.995 1.00 0.00 ? 25 LEU A CD1 15 ATOM 21695 C CD2 . LEU A 1 25 ? -6.784 -6.487 -3.201 1.00 0.00 ? 25 LEU A CD2 15 ATOM 21696 H H . LEU A 1 25 ? -6.558 -4.582 0.743 1.00 0.00 ? 25 LEU A H 15 ATOM 21697 H HA . LEU A 1 25 ? -7.054 -7.152 -0.314 1.00 0.00 ? 25 LEU A HA 15 ATOM 21698 H HB2 . LEU A 1 25 ? -4.893 -5.119 -0.745 1.00 0.00 ? 25 LEU A HB2 15 ATOM 21699 H HB3 . LEU A 1 25 ? -4.851 -6.686 -1.550 1.00 0.00 ? 25 LEU A HB3 15 ATOM 21700 H HG . LEU A 1 25 ? -7.272 -4.954 -1.816 1.00 0.00 ? 25 LEU A HG 15 ATOM 21701 H HD11 . LEU A 1 25 ? -6.369 -3.642 -3.499 1.00 0.00 ? 25 LEU A HD11 15 ATOM 21702 H HD12 . LEU A 1 25 ? -4.979 -4.704 -3.722 1.00 0.00 ? 25 LEU A HD12 15 ATOM 21703 H HD13 . LEU A 1 25 ? -5.081 -3.672 -2.295 1.00 0.00 ? 25 LEU A HD13 15 ATOM 21704 H HD21 . LEU A 1 25 ? -7.489 -7.141 -2.709 1.00 0.00 ? 25 LEU A HD21 15 ATOM 21705 H HD22 . LEU A 1 25 ? -5.911 -7.052 -3.492 1.00 0.00 ? 25 LEU A HD22 15 ATOM 21706 H HD23 . LEU A 1 25 ? -7.244 -6.057 -4.078 1.00 0.00 ? 25 LEU A HD23 15 ATOM 21707 N N . LEU A 1 26 ? -4.407 -6.852 1.626 1.00 0.00 ? 26 LEU A N 15 ATOM 21708 C CA . LEU A 1 26 ? -3.447 -7.603 2.429 1.00 0.00 ? 26 LEU A CA 15 ATOM 21709 C C . LEU A 1 26 ? -4.143 -8.709 3.215 1.00 0.00 ? 26 LEU A C 15 ATOM 21710 O O . LEU A 1 26 ? -3.708 -9.860 3.203 1.00 0.00 ? 26 LEU A O 15 ATOM 21711 C CB . LEU A 1 26 ? -2.711 -6.665 3.387 1.00 0.00 ? 26 LEU A CB 15 ATOM 21712 C CG . LEU A 1 26 ? -2.096 -7.319 4.625 1.00 0.00 ? 26 LEU A CG 15 ATOM 21713 C CD1 . LEU A 1 26 ? -0.966 -8.255 4.229 1.00 0.00 ? 26 LEU A CD1 15 ATOM 21714 C CD2 . LEU A 1 26 ? -1.597 -6.258 5.596 1.00 0.00 ? 26 LEU A CD2 15 ATOM 21715 H H . LEU A 1 26 ? -4.401 -5.873 1.667 1.00 0.00 ? 26 LEU A H 15 ATOM 21716 H HA . LEU A 1 26 ? -2.732 -8.051 1.756 1.00 0.00 ? 26 LEU A HA 15 ATOM 21717 H HB2 . LEU A 1 26 ? -1.915 -6.188 2.836 1.00 0.00 ? 26 LEU A HB2 15 ATOM 21718 H HB3 . LEU A 1 26 ? -3.415 -5.916 3.722 1.00 0.00 ? 26 LEU A HB3 15 ATOM 21719 H HG . LEU A 1 26 ? -2.853 -7.904 5.129 1.00 0.00 ? 26 LEU A HG 15 ATOM 21720 H HD11 . LEU A 1 26 ? -1.269 -8.846 3.379 1.00 0.00 ? 26 LEU A HD11 15 ATOM 21721 H HD12 . LEU A 1 26 ? -0.732 -8.908 5.057 1.00 0.00 ? 26 LEU A HD12 15 ATOM 21722 H HD13 . LEU A 1 26 ? -0.091 -7.675 3.971 1.00 0.00 ? 26 LEU A HD13 15 ATOM 21723 H HD21 . LEU A 1 26 ? -1.469 -6.698 6.574 1.00 0.00 ? 26 LEU A HD21 15 ATOM 21724 H HD22 . LEU A 1 26 ? -2.319 -5.456 5.654 1.00 0.00 ? 26 LEU A HD22 15 ATOM 21725 H HD23 . LEU A 1 26 ? -0.652 -5.869 5.249 1.00 0.00 ? 26 LEU A HD23 15 ATOM 21726 N N . ALA A 1 27 ? -5.227 -8.352 3.896 1.00 0.00 ? 27 ALA A N 15 ATOM 21727 C CA . ALA A 1 27 ? -5.985 -9.315 4.685 1.00 0.00 ? 27 ALA A CA 15 ATOM 21728 C C . ALA A 1 27 ? -6.406 -10.509 3.836 1.00 0.00 ? 27 ALA A C 15 ATOM 21729 O O . ALA A 1 27 ? -6.369 -11.651 4.293 1.00 0.00 ? 27 ALA A O 15 ATOM 21730 C CB . ALA A 1 27 ? -7.205 -8.647 5.303 1.00 0.00 ? 27 ALA A CB 15 ATOM 21731 H H . ALA A 1 27 ? -5.524 -7.419 3.867 1.00 0.00 ? 27 ALA A H 15 ATOM 21732 H HA . ALA A 1 27 ? -5.350 -9.663 5.488 1.00 0.00 ? 27 ALA A HA 15 ATOM 21733 H HB1 . ALA A 1 27 ? -7.062 -8.555 6.370 1.00 0.00 ? 27 ALA A HB1 15 ATOM 21734 H HB2 . ALA A 1 27 ? -7.336 -7.667 4.870 1.00 0.00 ? 27 ALA A HB2 15 ATOM 21735 H HB3 . ALA A 1 27 ? -8.081 -9.248 5.107 1.00 0.00 ? 27 ALA A HB3 15 ATOM 21736 N N . ALA A 1 28 ? -6.807 -10.238 2.598 1.00 0.00 ? 28 ALA A N 15 ATOM 21737 C CA . ALA A 1 28 ? -7.234 -11.290 1.685 1.00 0.00 ? 28 ALA A CA 15 ATOM 21738 C C . ALA A 1 28 ? -6.039 -12.077 1.157 1.00 0.00 ? 28 ALA A C 15 ATOM 21739 O O . ALA A 1 28 ? -6.200 -13.041 0.409 1.00 0.00 ? 28 ALA A O 15 ATOM 21740 C CB . ALA A 1 28 ? -8.030 -10.698 0.531 1.00 0.00 ? 28 ALA A CB 15 ATOM 21741 H H . ALA A 1 28 ? -6.814 -9.307 2.292 1.00 0.00 ? 28 ALA A H 15 ATOM 21742 H HA . ALA A 1 28 ? -7.882 -11.962 2.230 1.00 0.00 ? 28 ALA A HA 15 ATOM 21743 H HB1 . ALA A 1 28 ? -7.679 -11.118 -0.400 1.00 0.00 ? 28 ALA A HB1 15 ATOM 21744 H HB2 . ALA A 1 28 ? -9.077 -10.930 0.660 1.00 0.00 ? 28 ALA A HB2 15 ATOM 21745 H HB3 . ALA A 1 28 ? -7.897 -9.626 0.516 1.00 0.00 ? 28 ALA A HB3 15 ATOM 21746 N N . GLY A 1 29 ? -4.840 -11.659 1.551 1.00 0.00 ? 29 GLY A N 15 ATOM 21747 C CA . GLY A 1 29 ? -3.636 -12.336 1.106 1.00 0.00 ? 29 GLY A CA 15 ATOM 21748 C C . GLY A 1 29 ? -3.145 -11.825 -0.234 1.00 0.00 ? 29 GLY A C 15 ATOM 21749 O O . GLY A 1 29 ? -2.265 -12.425 -0.851 1.00 0.00 ? 29 GLY A O 15 ATOM 21750 H H . GLY A 1 29 ? -4.773 -10.884 2.148 1.00 0.00 ? 29 GLY A H 15 ATOM 21751 H HA2 . GLY A 1 29 ? -2.860 -12.187 1.843 1.00 0.00 ? 29 GLY A HA2 15 ATOM 21752 H HA3 . GLY A 1 29 ? -3.841 -13.393 1.023 1.00 0.00 ? 29 GLY A HA3 15 ATOM 21753 N N . LYS A 1 30 ? -3.716 -10.715 -0.688 1.00 0.00 ? 30 LYS A N 15 ATOM 21754 C CA . LYS A 1 30 ? -3.333 -10.123 -1.964 1.00 0.00 ? 30 LYS A CA 15 ATOM 21755 C C . LYS A 1 30 ? -2.230 -9.087 -1.774 1.00 0.00 ? 30 LYS A C 15 ATOM 21756 O O . LYS A 1 30 ? -2.326 -7.965 -2.272 1.00 0.00 ? 30 LYS A O 15 ATOM 21757 C CB . LYS A 1 30 ? -4.547 -9.474 -2.634 1.00 0.00 ? 30 LYS A CB 15 ATOM 21758 C CG . LYS A 1 30 ? -5.732 -10.412 -2.783 1.00 0.00 ? 30 LYS A CG 15 ATOM 21759 C CD . LYS A 1 30 ? -5.691 -11.157 -4.107 1.00 0.00 ? 30 LYS A CD 15 ATOM 21760 C CE . LYS A 1 30 ? -7.086 -11.541 -4.574 1.00 0.00 ? 30 LYS A CE 15 ATOM 21761 N NZ . LYS A 1 30 ? -7.050 -12.624 -5.596 1.00 0.00 ? 30 LYS A NZ 15 ATOM 21762 H H . LYS A 1 30 ? -4.413 -10.282 -0.150 1.00 0.00 ? 30 LYS A H 15 ATOM 21763 H HA . LYS A 1 30 ? -2.962 -10.914 -2.598 1.00 0.00 ? 30 LYS A HA 15 ATOM 21764 H HB2 . LYS A 1 30 ? -4.858 -8.625 -2.043 1.00 0.00 ? 30 LYS A HB2 15 ATOM 21765 H HB3 . LYS A 1 30 ? -4.259 -9.132 -3.618 1.00 0.00 ? 30 LYS A HB3 15 ATOM 21766 H HG2 . LYS A 1 30 ? -5.716 -11.131 -1.977 1.00 0.00 ? 30 LYS A HG2 15 ATOM 21767 H HG3 . LYS A 1 30 ? -6.645 -9.834 -2.734 1.00 0.00 ? 30 LYS A HG3 15 ATOM 21768 H HD2 . LYS A 1 30 ? -5.235 -10.523 -4.853 1.00 0.00 ? 30 LYS A HD2 15 ATOM 21769 H HD3 . LYS A 1 30 ? -5.101 -12.055 -3.986 1.00 0.00 ? 30 LYS A HD3 15 ATOM 21770 H HE2 . LYS A 1 30 ? -7.656 -11.880 -3.723 1.00 0.00 ? 30 LYS A HE2 15 ATOM 21771 H HE3 . LYS A 1 30 ? -7.561 -10.670 -5.002 1.00 0.00 ? 30 LYS A HE3 15 ATOM 21772 H HZ1 . LYS A 1 30 ? -6.151 -12.593 -6.118 1.00 0.00 ? 30 LYS A HZ1 15 ATOM 21773 H HZ2 . LYS A 1 30 ? -7.833 -12.505 -6.270 1.00 0.00 ? 30 LYS A HZ2 15 ATOM 21774 H HZ3 . LYS A 1 30 ? -7.140 -13.552 -5.137 1.00 0.00 ? 30 LYS A HZ3 15 ATOM 21775 N N . TYR A 1 31 ? -1.183 -9.470 -1.052 1.00 0.00 ? 31 TYR A N 15 ATOM 21776 C CA . TYR A 1 31 ? -0.062 -8.574 -0.796 1.00 0.00 ? 31 TYR A CA 15 ATOM 21777 C C . TYR A 1 31 ? 0.278 -7.757 -2.039 1.00 0.00 ? 31 TYR A C 15 ATOM 21778 O O . TYR A 1 31 ? 0.158 -6.532 -2.041 1.00 0.00 ? 31 TYR A O 15 ATOM 21779 C CB . TYR A 1 31 ? 1.163 -9.371 -0.345 1.00 0.00 ? 31 TYR A CB 15 ATOM 21780 C CG . TYR A 1 31 ? 0.919 -10.209 0.890 1.00 0.00 ? 31 TYR A CG 15 ATOM 21781 C CD1 . TYR A 1 31 ? 0.441 -11.510 0.787 1.00 0.00 ? 31 TYR A CD1 15 ATOM 21782 C CD2 . TYR A 1 31 ? 1.168 -9.701 2.159 1.00 0.00 ? 31 TYR A CD2 15 ATOM 21783 C CE1 . TYR A 1 31 ? 0.216 -12.279 1.912 1.00 0.00 ? 31 TYR A CE1 15 ATOM 21784 C CE2 . TYR A 1 31 ? 0.948 -10.463 3.289 1.00 0.00 ? 31 TYR A CE2 15 ATOM 21785 C CZ . TYR A 1 31 ? 0.471 -11.752 3.161 1.00 0.00 ? 31 TYR A CZ 15 ATOM 21786 O OH . TYR A 1 31 ? 0.250 -12.515 4.284 1.00 0.00 ? 31 TYR A OH 15 ATOM 21787 H H . TYR A 1 31 ? -1.164 -10.377 -0.681 1.00 0.00 ? 31 TYR A H 15 ATOM 21788 H HA . TYR A 1 31 ? -0.351 -7.899 -0.003 1.00 0.00 ? 31 TYR A HA 15 ATOM 21789 H HB2 . TYR A 1 31 ? 1.465 -10.034 -1.141 1.00 0.00 ? 31 TYR A HB2 15 ATOM 21790 H HB3 . TYR A 1 31 ? 1.970 -8.686 -0.127 1.00 0.00 ? 31 TYR A HB3 15 ATOM 21791 H HD1 . TYR A 1 31 ? 0.243 -11.920 -0.193 1.00 0.00 ? 31 TYR A HD1 15 ATOM 21792 H HD2 . TYR A 1 31 ? 1.541 -8.692 2.256 1.00 0.00 ? 31 TYR A HD2 15 ATOM 21793 H HE1 . TYR A 1 31 ? -0.156 -13.288 1.812 1.00 0.00 ? 31 TYR A HE1 15 ATOM 21794 H HE2 . TYR A 1 31 ? 1.147 -10.051 4.268 1.00 0.00 ? 31 TYR A HE2 15 ATOM 21795 H HH . TYR A 1 31 ? -0.420 -12.095 4.829 1.00 0.00 ? 31 TYR A HH 15 ATOM 21796 N N . GLU A 1 32 ? 0.702 -8.446 -3.093 1.00 0.00 ? 32 GLU A N 15 ATOM 21797 C CA . GLU A 1 32 ? 1.060 -7.785 -4.343 1.00 0.00 ? 32 GLU A CA 15 ATOM 21798 C C . GLU A 1 32 ? 0.013 -6.742 -4.726 1.00 0.00 ? 32 GLU A C 15 ATOM 21799 O O . GLU A 1 32 ? 0.324 -5.561 -4.871 1.00 0.00 ? 32 GLU A O 15 ATOM 21800 C CB . GLU A 1 32 ? 1.206 -8.814 -5.466 1.00 0.00 ? 32 GLU A CB 15 ATOM 21801 C CG . GLU A 1 32 ? 0.399 -10.081 -5.240 1.00 0.00 ? 32 GLU A CG 15 ATOM 21802 C CD . GLU A 1 32 ? 0.093 -10.817 -6.530 1.00 0.00 ? 32 GLU A CD 15 ATOM 21803 O OE1 . GLU A 1 32 ? 1.050 -11.182 -7.244 1.00 0.00 ? 32 GLU A OE1 15 ATOM 21804 O OE2 . GLU A 1 32 ? -1.101 -11.028 -6.825 1.00 0.00 ? 32 GLU A OE2 15 ATOM 21805 H H . GLU A 1 32 ? 0.777 -9.421 -3.030 1.00 0.00 ? 32 GLU A H 15 ATOM 21806 H HA . GLU A 1 32 ? 2.007 -7.289 -4.197 1.00 0.00 ? 32 GLU A HA 15 ATOM 21807 H HB2 . GLU A 1 32 ? 0.881 -8.365 -6.394 1.00 0.00 ? 32 GLU A HB2 15 ATOM 21808 H HB3 . GLU A 1 32 ? 2.247 -9.087 -5.555 1.00 0.00 ? 32 GLU A HB3 15 ATOM 21809 H HG2 . GLU A 1 32 ? 0.959 -10.739 -4.592 1.00 0.00 ? 32 GLU A HG2 15 ATOM 21810 H HG3 . GLU A 1 32 ? -0.534 -9.818 -4.763 1.00 0.00 ? 32 GLU A HG3 15 ATOM 21811 N N . GLU A 1 33 ? -1.228 -7.190 -4.888 1.00 0.00 ? 33 GLU A N 15 ATOM 21812 C CA . GLU A 1 33 ? -2.320 -6.296 -5.256 1.00 0.00 ? 33 GLU A CA 15 ATOM 21813 C C . GLU A 1 33 ? -2.218 -4.974 -4.501 1.00 0.00 ? 33 GLU A C 15 ATOM 21814 O O . GLU A 1 33 ? -2.526 -3.913 -5.042 1.00 0.00 ? 33 GLU A O 15 ATOM 21815 C CB . GLU A 1 33 ? -3.669 -6.958 -4.967 1.00 0.00 ? 33 GLU A CB 15 ATOM 21816 C CG . GLU A 1 33 ? -3.930 -8.199 -5.804 1.00 0.00 ? 33 GLU A CG 15 ATOM 21817 C CD . GLU A 1 33 ? -3.894 -7.916 -7.294 1.00 0.00 ? 33 GLU A CD 15 ATOM 21818 O OE1 . GLU A 1 33 ? -4.324 -6.816 -7.698 1.00 0.00 ? 33 GLU A OE1 15 ATOM 21819 O OE2 . GLU A 1 33 ? -3.436 -8.795 -8.054 1.00 0.00 ? 33 GLU A OE2 15 ATOM 21820 H H . GLU A 1 33 ? -1.413 -8.144 -4.758 1.00 0.00 ? 33 GLU A H 15 ATOM 21821 H HA . GLU A 1 33 ? -2.245 -6.099 -6.314 1.00 0.00 ? 33 GLU A HA 15 ATOM 21822 H HB2 . GLU A 1 33 ? -3.704 -7.238 -3.925 1.00 0.00 ? 33 GLU A HB2 15 ATOM 21823 H HB3 . GLU A 1 33 ? -4.455 -6.244 -5.166 1.00 0.00 ? 33 GLU A HB3 15 ATOM 21824 H HG2 . GLU A 1 33 ? -3.175 -8.937 -5.576 1.00 0.00 ? 33 GLU A HG2 15 ATOM 21825 H HG3 . GLU A 1 33 ? -4.903 -8.591 -5.550 1.00 0.00 ? 33 GLU A HG3 15 ATOM 21826 N N . ALA A 1 34 ? -1.783 -5.047 -3.247 1.00 0.00 ? 34 ALA A N 15 ATOM 21827 C CA . ALA A 1 34 ? -1.639 -3.857 -2.418 1.00 0.00 ? 34 ALA A CA 15 ATOM 21828 C C . ALA A 1 34 ? -0.326 -3.139 -2.711 1.00 0.00 ? 34 ALA A C 15 ATOM 21829 O O . ALA A 1 34 ? -0.284 -1.912 -2.794 1.00 0.00 ? 34 ALA A O 15 ATOM 21830 C CB . ALA A 1 34 ? -1.723 -4.227 -0.944 1.00 0.00 ? 34 ALA A CB 15 ATOM 21831 H H . ALA A 1 34 ? -1.553 -5.922 -2.871 1.00 0.00 ? 34 ALA A H 15 ATOM 21832 H HA . ALA A 1 34 ? -2.460 -3.191 -2.644 1.00 0.00 ? 34 ALA A HA 15 ATOM 21833 H HB1 . ALA A 1 34 ? -1.031 -5.031 -0.736 1.00 0.00 ? 34 ALA A HB1 15 ATOM 21834 H HB2 . ALA A 1 34 ? -1.469 -3.367 -0.343 1.00 0.00 ? 34 ALA A HB2 15 ATOM 21835 H HB3 . ALA A 1 34 ? -2.727 -4.546 -0.710 1.00 0.00 ? 34 ALA A HB3 15 ATOM 21836 N N . ILE A 1 35 ? 0.743 -3.913 -2.866 1.00 0.00 ? 35 ILE A N 15 ATOM 21837 C CA . ILE A 1 35 ? 2.058 -3.350 -3.151 1.00 0.00 ? 35 ILE A CA 15 ATOM 21838 C C . ILE A 1 35 ? 1.963 -2.221 -4.172 1.00 0.00 ? 35 ILE A C 15 ATOM 21839 O O . ILE A 1 35 ? 2.222 -1.060 -3.855 1.00 0.00 ? 35 ILE A O 15 ATOM 21840 C CB . ILE A 1 35 ? 3.028 -4.423 -3.678 1.00 0.00 ? 35 ILE A CB 15 ATOM 21841 C CG1 . ILE A 1 35 ? 3.277 -5.487 -2.606 1.00 0.00 ? 35 ILE A CG1 15 ATOM 21842 C CG2 . ILE A 1 35 ? 4.338 -3.785 -4.113 1.00 0.00 ? 35 ILE A CG2 15 ATOM 21843 C CD1 . ILE A 1 35 ? 4.058 -6.681 -3.109 1.00 0.00 ? 35 ILE A CD1 15 ATOM 21844 H H . ILE A 1 35 ? 0.646 -4.884 -2.789 1.00 0.00 ? 35 ILE A H 15 ATOM 21845 H HA . ILE A 1 35 ? 2.457 -2.954 -2.228 1.00 0.00 ? 35 ILE A HA 15 ATOM 21846 H HB . ILE A 1 35 ? 2.579 -4.891 -4.541 1.00 0.00 ? 35 ILE A HB 15 ATOM 21847 H HG12 . ILE A 1 35 ? 3.833 -5.047 -1.793 1.00 0.00 ? 35 ILE A HG12 15 ATOM 21848 H HG13 . ILE A 1 35 ? 2.327 -5.843 -2.235 1.00 0.00 ? 35 ILE A HG13 15 ATOM 21849 H HG21 . ILE A 1 35 ? 4.274 -2.714 -3.993 1.00 0.00 ? 35 ILE A HG21 15 ATOM 21850 H HG22 . ILE A 1 35 ? 5.144 -4.167 -3.504 1.00 0.00 ? 35 ILE A HG22 15 ATOM 21851 H HG23 . ILE A 1 35 ? 4.527 -4.021 -5.150 1.00 0.00 ? 35 ILE A HG23 15 ATOM 21852 H HD11 . ILE A 1 35 ? 3.605 -7.589 -2.740 1.00 0.00 ? 35 ILE A HD11 15 ATOM 21853 H HD12 . ILE A 1 35 ? 4.051 -6.687 -4.189 1.00 0.00 ? 35 ILE A HD12 15 ATOM 21854 H HD13 . ILE A 1 35 ? 5.077 -6.619 -2.757 1.00 0.00 ? 35 ILE A HD13 15 ATOM 21855 N N . SER A 1 36 ? 1.588 -2.570 -5.399 1.00 0.00 ? 36 SER A N 15 ATOM 21856 C CA . SER A 1 36 ? 1.461 -1.587 -6.468 1.00 0.00 ? 36 SER A CA 15 ATOM 21857 C C . SER A 1 36 ? 0.534 -0.448 -6.051 1.00 0.00 ? 36 SER A C 15 ATOM 21858 O O . SER A 1 36 ? 0.948 0.710 -5.982 1.00 0.00 ? 36 SER A O 15 ATOM 21859 C CB . SER A 1 36 ? 0.931 -2.251 -7.740 1.00 0.00 ? 36 SER A CB 15 ATOM 21860 O OG . SER A 1 36 ? -0.409 -2.680 -7.571 1.00 0.00 ? 36 SER A OG 15 ATOM 21861 H H . SER A 1 36 ? 1.395 -3.512 -5.589 1.00 0.00 ? 36 SER A H 15 ATOM 21862 H HA . SER A 1 36 ? 2.442 -1.182 -6.665 1.00 0.00 ? 36 SER A HA 15 ATOM 21863 H HB2 . SER A 1 36 ? 0.969 -1.544 -8.555 1.00 0.00 ? 36 SER A HB2 15 ATOM 21864 H HB3 . SER A 1 36 ? 1.544 -3.108 -7.977 1.00 0.00 ? 36 SER A HB3 15 ATOM 21865 H HG . SER A 1 36 ? -0.463 -3.273 -6.818 1.00 0.00 ? 36 SER A HG 15 ATOM 21866 N N . CYS A 1 37 ? -0.720 -0.786 -5.774 1.00 0.00 ? 37 CYS A N 15 ATOM 21867 C CA . CYS A 1 37 ? -1.707 0.207 -5.365 1.00 0.00 ? 37 CYS A CA 15 ATOM 21868 C C . CYS A 1 37 ? -1.109 1.187 -4.362 1.00 0.00 ? 37 CYS A C 15 ATOM 21869 O O . CYS A 1 37 ? -1.447 2.371 -4.357 1.00 0.00 ? 37 CYS A O 15 ATOM 21870 C CB . CYS A 1 37 ? -2.931 -0.481 -4.757 1.00 0.00 ? 37 CYS A CB 15 ATOM 21871 S SG . CYS A 1 37 ? -3.995 -1.300 -5.968 1.00 0.00 ? 37 CYS A SG 15 ATOM 21872 H H . CYS A 1 37 ? -0.990 -1.726 -5.847 1.00 0.00 ? 37 CYS A H 15 ATOM 21873 H HA . CYS A 1 37 ? -2.012 0.752 -6.245 1.00 0.00 ? 37 CYS A HA 15 ATOM 21874 H HB2 . CYS A 1 37 ? -2.601 -1.229 -4.052 1.00 0.00 ? 37 CYS A HB2 15 ATOM 21875 H HB3 . CYS A 1 37 ? -3.527 0.255 -4.239 1.00 0.00 ? 37 CYS A HB3 15 ATOM 21876 H HG . CYS A 1 37 ? -4.124 -2.567 -5.607 1.00 0.00 ? 37 CYS A HG 15 ATOM 21877 N N . HIS A 1 38 ? -0.218 0.685 -3.511 1.00 0.00 ? 38 HIS A N 15 ATOM 21878 C CA . HIS A 1 38 ? 0.427 1.517 -2.502 1.00 0.00 ? 38 HIS A CA 15 ATOM 21879 C C . HIS A 1 38 ? 1.431 2.470 -3.143 1.00 0.00 ? 38 HIS A C 15 ATOM 21880 O O . HIS A 1 38 ? 1.580 3.613 -2.710 1.00 0.00 ? 38 HIS A O 15 ATOM 21881 C CB . HIS A 1 38 ? 1.130 0.642 -1.463 1.00 0.00 ? 38 HIS A CB 15 ATOM 21882 C CG . HIS A 1 38 ? 1.190 1.260 -0.100 1.00 0.00 ? 38 HIS A CG 15 ATOM 21883 N ND1 . HIS A 1 38 ? 1.212 2.623 0.107 1.00 0.00 ? 38 HIS A ND1 15 ATOM 21884 C CD2 . HIS A 1 38 ? 1.230 0.693 1.128 1.00 0.00 ? 38 HIS A CD2 15 ATOM 21885 C CE1 . HIS A 1 38 ? 1.265 2.868 1.404 1.00 0.00 ? 38 HIS A CE1 15 ATOM 21886 N NE2 . HIS A 1 38 ? 1.277 1.714 2.046 1.00 0.00 ? 38 HIS A NE2 15 ATOM 21887 H H . HIS A 1 38 ? 0.010 -0.266 -3.565 1.00 0.00 ? 38 HIS A H 15 ATOM 21888 H HA . HIS A 1 38 ? -0.339 2.097 -2.011 1.00 0.00 ? 38 HIS A HA 15 ATOM 21889 H HB2 . HIS A 1 38 ? 0.603 -0.297 -1.378 1.00 0.00 ? 38 HIS A HB2 15 ATOM 21890 H HB3 . HIS A 1 38 ? 2.143 0.452 -1.787 1.00 0.00 ? 38 HIS A HB3 15 ATOM 21891 H HD1 . HIS A 1 38 ? 1.193 3.309 -0.592 1.00 0.00 ? 38 HIS A HD1 15 ATOM 21892 H HD2 . HIS A 1 38 ? 1.227 -0.365 1.347 1.00 0.00 ? 38 HIS A HD2 15 ATOM 21893 H HE1 . HIS A 1 38 ? 1.294 3.845 1.862 1.00 0.00 ? 38 HIS A HE1 15 ATOM 21894 H HE2 . HIS A 1 38 ? 1.399 1.607 3.012 1.00 0.00 ? 38 HIS A HE2 15 ATOM 21895 N N . ARG A 1 39 ? 2.116 1.993 -4.177 1.00 0.00 ? 39 ARG A N 15 ATOM 21896 C CA . ARG A 1 39 ? 3.106 2.802 -4.876 1.00 0.00 ? 39 ARG A CA 15 ATOM 21897 C C . ARG A 1 39 ? 2.431 3.894 -5.701 1.00 0.00 ? 39 ARG A C 15 ATOM 21898 O O . ARG A 1 39 ? 3.036 4.924 -6.001 1.00 0.00 ? 39 ARG A O 15 ATOM 21899 C CB . ARG A 1 39 ? 3.967 1.921 -5.784 1.00 0.00 ? 39 ARG A CB 15 ATOM 21900 C CG . ARG A 1 39 ? 4.966 1.061 -5.028 1.00 0.00 ? 39 ARG A CG 15 ATOM 21901 C CD . ARG A 1 39 ? 6.034 0.502 -5.955 1.00 0.00 ? 39 ARG A CD 15 ATOM 21902 N NE . ARG A 1 39 ? 6.906 1.550 -6.480 1.00 0.00 ? 39 ARG A NE 15 ATOM 21903 C CZ . ARG A 1 39 ? 7.957 1.311 -7.255 1.00 0.00 ? 39 ARG A CZ 15 ATOM 21904 N NH1 . ARG A 1 39 ? 8.266 0.067 -7.594 1.00 0.00 ? 39 ARG A NH1 15 ATOM 21905 N NH2 . ARG A 1 39 ? 8.702 2.318 -7.694 1.00 0.00 ? 39 ARG A NH2 15 ATOM 21906 H H . ARG A 1 39 ? 1.952 1.074 -4.476 1.00 0.00 ? 39 ARG A H 15 ATOM 21907 H HA . ARG A 1 39 ? 3.739 3.266 -4.135 1.00 0.00 ? 39 ARG A HA 15 ATOM 21908 H HB2 . ARG A 1 39 ? 3.320 1.268 -6.351 1.00 0.00 ? 39 ARG A HB2 15 ATOM 21909 H HB3 . ARG A 1 39 ? 4.514 2.554 -6.466 1.00 0.00 ? 39 ARG A HB3 15 ATOM 21910 H HG2 . ARG A 1 39 ? 5.443 1.662 -4.268 1.00 0.00 ? 39 ARG A HG2 15 ATOM 21911 H HG3 . ARG A 1 39 ? 4.440 0.240 -4.562 1.00 0.00 ? 39 ARG A HG3 15 ATOM 21912 H HD2 . ARG A 1 39 ? 6.633 -0.209 -5.405 1.00 0.00 ? 39 ARG A HD2 15 ATOM 21913 H HD3 . ARG A 1 39 ? 5.550 0.002 -6.780 1.00 0.00 ? 39 ARG A HD3 15 ATOM 21914 H HE . ARG A 1 39 ? 6.696 2.476 -6.242 1.00 0.00 ? 39 ARG A HE 15 ATOM 21915 H HH11 . ARG A 1 39 ? 7.706 -0.694 -7.266 1.00 0.00 ? 39 ARG A HH11 15 ATOM 21916 H HH12 . ARG A 1 39 ? 9.058 -0.110 -8.179 1.00 0.00 ? 39 ARG A HH12 15 ATOM 21917 H HH21 . ARG A 1 39 ? 8.473 3.257 -7.440 1.00 0.00 ? 39 ARG A HH21 15 ATOM 21918 H HH22 . ARG A 1 39 ? 9.494 2.137 -8.277 1.00 0.00 ? 39 ARG A HH22 15 ATOM 21919 N N . LYS A 1 40 ? 1.175 3.662 -6.066 1.00 0.00 ? 40 LYS A N 15 ATOM 21920 C CA . LYS A 1 40 ? 0.416 4.625 -6.855 1.00 0.00 ? 40 LYS A CA 15 ATOM 21921 C C . LYS A 1 40 ? 0.297 5.957 -6.121 1.00 0.00 ? 40 LYS A C 15 ATOM 21922 O O . LYS A 1 40 ? 0.336 7.021 -6.737 1.00 0.00 ? 40 LYS A O 15 ATOM 21923 C CB . LYS A 1 40 ? -0.978 4.075 -7.166 1.00 0.00 ? 40 LYS A CB 15 ATOM 21924 C CG . LYS A 1 40 ? -0.961 2.681 -7.768 1.00 0.00 ? 40 LYS A CG 15 ATOM 21925 C CD . LYS A 1 40 ? -0.313 2.674 -9.142 1.00 0.00 ? 40 LYS A CD 15 ATOM 21926 C CE . LYS A 1 40 ? 1.185 2.426 -9.050 1.00 0.00 ? 40 LYS A CE 15 ATOM 21927 N NZ . LYS A 1 40 ? 1.507 0.972 -9.056 1.00 0.00 ? 40 LYS A NZ 15 ATOM 21928 H H . LYS A 1 40 ? 0.747 2.822 -5.796 1.00 0.00 ? 40 LYS A H 15 ATOM 21929 H HA . LYS A 1 40 ? 0.946 4.785 -7.782 1.00 0.00 ? 40 LYS A HA 15 ATOM 21930 H HB2 . LYS A 1 40 ? -1.551 4.043 -6.251 1.00 0.00 ? 40 LYS A HB2 15 ATOM 21931 H HB3 . LYS A 1 40 ? -1.466 4.740 -7.864 1.00 0.00 ? 40 LYS A HB3 15 ATOM 21932 H HG2 . LYS A 1 40 ? -0.405 2.023 -7.116 1.00 0.00 ? 40 LYS A HG2 15 ATOM 21933 H HG3 . LYS A 1 40 ? -1.978 2.325 -7.857 1.00 0.00 ? 40 LYS A HG3 15 ATOM 21934 H HD2 . LYS A 1 40 ? -0.760 1.892 -9.738 1.00 0.00 ? 40 LYS A HD2 15 ATOM 21935 H HD3 . LYS A 1 40 ? -0.483 3.631 -9.615 1.00 0.00 ? 40 LYS A HD3 15 ATOM 21936 H HE2 . LYS A 1 40 ? 1.666 2.896 -9.894 1.00 0.00 ? 40 LYS A HE2 15 ATOM 21937 H HE3 . LYS A 1 40 ? 1.554 2.865 -8.135 1.00 0.00 ? 40 LYS A HE3 15 ATOM 21938 H HZ1 . LYS A 1 40 ? 1.799 0.675 -10.009 1.00 0.00 ? 40 LYS A HZ1 15 ATOM 21939 H HZ2 . LYS A 1 40 ? 0.673 0.420 -8.774 1.00 0.00 ? 40 LYS A HZ2 15 ATOM 21940 H HZ3 . LYS A 1 40 ? 2.282 0.775 -8.390 1.00 0.00 ? 40 LYS A HZ3 15 ATOM 21941 N N . ALA A 1 41 ? 0.153 5.889 -4.801 1.00 0.00 ? 41 ALA A N 15 ATOM 21942 C CA . ALA A 1 41 ? 0.032 7.089 -3.984 1.00 0.00 ? 41 ALA A CA 15 ATOM 21943 C C . ALA A 1 41 ? 1.370 7.812 -3.867 1.00 0.00 ? 41 ALA A C 15 ATOM 21944 O O . ALA A 1 41 ? 1.488 8.985 -4.222 1.00 0.00 ? 41 ALA A O 15 ATOM 21945 C CB . ALA A 1 41 ? -0.501 6.736 -2.603 1.00 0.00 ? 41 ALA A CB 15 ATOM 21946 H H . ALA A 1 41 ? 0.129 5.011 -4.368 1.00 0.00 ? 41 ALA A H 15 ATOM 21947 H HA . ALA A 1 41 ? -0.680 7.748 -4.460 1.00 0.00 ? 41 ALA A HA 15 ATOM 21948 H HB1 . ALA A 1 41 ? -0.175 7.480 -1.891 1.00 0.00 ? 41 ALA A HB1 15 ATOM 21949 H HB2 . ALA A 1 41 ? -1.580 6.712 -2.630 1.00 0.00 ? 41 ALA A HB2 15 ATOM 21950 H HB3 . ALA A 1 41 ? -0.126 5.767 -2.310 1.00 0.00 ? 41 ALA A HB3 15 ATOM 21951 N N . THR A 1 42 ? 2.378 7.104 -3.367 1.00 0.00 ? 42 THR A N 15 ATOM 21952 C CA . THR A 1 42 ? 3.707 7.677 -3.201 1.00 0.00 ? 42 THR A CA 15 ATOM 21953 C C . THR A 1 42 ? 4.090 8.533 -4.403 1.00 0.00 ? 42 THR A C 15 ATOM 21954 O O . THR A 1 42 ? 4.551 9.665 -4.252 1.00 0.00 ? 42 THR A O 15 ATOM 21955 C CB . THR A 1 42 ? 4.772 6.581 -3.006 1.00 0.00 ? 42 THR A CB 15 ATOM 21956 O OG1 . THR A 1 42 ? 4.624 5.570 -4.009 1.00 0.00 ? 42 THR A OG1 15 ATOM 21957 C CG2 . THR A 1 42 ? 4.656 5.954 -1.625 1.00 0.00 ? 42 THR A CG2 15 ATOM 21958 H H . THR A 1 42 ? 2.222 6.173 -3.102 1.00 0.00 ? 42 THR A H 15 ATOM 21959 H HA . THR A 1 42 ? 3.695 8.299 -2.318 1.00 0.00 ? 42 THR A HA 15 ATOM 21960 H HB . THR A 1 42 ? 5.750 7.031 -3.100 1.00 0.00 ? 42 THR A HB 15 ATOM 21961 H HG1 . THR A 1 42 ? 5.402 5.560 -4.571 1.00 0.00 ? 42 THR A HG1 15 ATOM 21962 H HG21 . THR A 1 42 ? 3.639 5.628 -1.462 1.00 0.00 ? 42 THR A HG21 15 ATOM 21963 H HG22 . THR A 1 42 ? 4.926 6.683 -0.875 1.00 0.00 ? 42 THR A HG22 15 ATOM 21964 H HG23 . THR A 1 42 ? 5.320 5.106 -1.559 1.00 0.00 ? 42 THR A HG23 15 ATOM 21965 N N . THR A 1 43 ? 3.895 7.987 -5.599 1.00 0.00 ? 43 THR A N 15 ATOM 21966 C CA . THR A 1 43 ? 4.221 8.700 -6.828 1.00 0.00 ? 43 THR A CA 15 ATOM 21967 C C . THR A 1 43 ? 3.467 10.023 -6.911 1.00 0.00 ? 43 THR A C 15 ATOM 21968 O O . THR A 1 43 ? 4.058 11.069 -7.182 1.00 0.00 ? 43 THR A O 15 ATOM 21969 C CB . THR A 1 43 ? 3.891 7.855 -8.073 1.00 0.00 ? 43 THR A CB 15 ATOM 21970 O OG1 . THR A 1 43 ? 4.608 6.616 -8.028 1.00 0.00 ? 43 THR A OG1 15 ATOM 21971 C CG2 . THR A 1 43 ? 4.245 8.606 -9.347 1.00 0.00 ? 43 THR A CG2 15 ATOM 21972 H H . THR A 1 43 ? 3.525 7.081 -5.655 1.00 0.00 ? 43 THR A H 15 ATOM 21973 H HA . THR A 1 43 ? 5.282 8.901 -6.826 1.00 0.00 ? 43 THR A HA 15 ATOM 21974 H HB . THR A 1 43 ? 2.830 7.648 -8.078 1.00 0.00 ? 43 THR A HB 15 ATOM 21975 H HG1 . THR A 1 43 ? 5.409 6.729 -7.511 1.00 0.00 ? 43 THR A HG1 15 ATOM 21976 H HG21 . THR A 1 43 ? 4.040 9.658 -9.213 1.00 0.00 ? 43 THR A HG21 15 ATOM 21977 H HG22 . THR A 1 43 ? 3.654 8.225 -10.166 1.00 0.00 ? 43 THR A HG22 15 ATOM 21978 H HG23 . THR A 1 43 ? 5.294 8.470 -9.565 1.00 0.00 ? 43 THR A HG23 15 ATOM 21979 N N . TYR A 1 44 ? 2.161 9.970 -6.677 1.00 0.00 ? 44 TYR A N 15 ATOM 21980 C CA . TYR A 1 44 ? 1.326 11.164 -6.727 1.00 0.00 ? 44 TYR A CA 15 ATOM 21981 C C . TYR A 1 44 ? 1.797 12.201 -5.713 1.00 0.00 ? 44 TYR A C 15 ATOM 21982 O O . TYR A 1 44 ? 1.916 13.386 -6.027 1.00 0.00 ? 44 TYR A O 15 ATOM 21983 C CB . TYR A 1 44 ? -0.136 10.802 -6.462 1.00 0.00 ? 44 TYR A CB 15 ATOM 21984 C CG . TYR A 1 44 ? -1.030 12.004 -6.258 1.00 0.00 ? 44 TYR A CG 15 ATOM 21985 C CD1 . TYR A 1 44 ? -0.778 13.201 -6.917 1.00 0.00 ? 44 TYR A CD1 15 ATOM 21986 C CD2 . TYR A 1 44 ? -2.126 11.943 -5.407 1.00 0.00 ? 44 TYR A CD2 15 ATOM 21987 C CE1 . TYR A 1 44 ? -1.592 14.302 -6.734 1.00 0.00 ? 44 TYR A CE1 15 ATOM 21988 C CE2 . TYR A 1 44 ? -2.946 13.039 -5.218 1.00 0.00 ? 44 TYR A CE2 15 ATOM 21989 C CZ . TYR A 1 44 ? -2.675 14.216 -5.884 1.00 0.00 ? 44 TYR A CZ 15 ATOM 21990 O OH . TYR A 1 44 ? -3.489 15.310 -5.698 1.00 0.00 ? 44 TYR A OH 15 ATOM 21991 H H . TYR A 1 44 ? 1.747 9.107 -6.466 1.00 0.00 ? 44 TYR A H 15 ATOM 21992 H HA . TYR A 1 44 ? 1.408 11.585 -7.719 1.00 0.00 ? 44 TYR A HA 15 ATOM 21993 H HB2 . TYR A 1 44 ? -0.519 10.243 -7.301 1.00 0.00 ? 44 TYR A HB2 15 ATOM 21994 H HB3 . TYR A 1 44 ? -0.192 10.192 -5.572 1.00 0.00 ? 44 TYR A HB3 15 ATOM 21995 H HD1 . TYR A 1 44 ? 0.071 13.266 -7.582 1.00 0.00 ? 44 TYR A HD1 15 ATOM 21996 H HD2 . TYR A 1 44 ? -2.335 11.020 -4.887 1.00 0.00 ? 44 TYR A HD2 15 ATOM 21997 H HE1 . TYR A 1 44 ? -1.380 15.225 -7.255 1.00 0.00 ? 44 TYR A HE1 15 ATOM 21998 H HE2 . TYR A 1 44 ? -3.794 12.972 -4.553 1.00 0.00 ? 44 TYR A HE2 15 ATOM 21999 H HH . TYR A 1 44 ? -3.062 16.091 -6.059 1.00 0.00 ? 44 TYR A HH 15 ATOM 22000 N N . LEU A 1 45 ? 2.065 11.747 -4.493 1.00 0.00 ? 45 LEU A N 15 ATOM 22001 C CA . LEU A 1 45 ? 2.525 12.634 -3.430 1.00 0.00 ? 45 LEU A CA 15 ATOM 22002 C C . LEU A 1 45 ? 3.838 13.309 -3.813 1.00 0.00 ? 45 LEU A C 15 ATOM 22003 O O . LEU A 1 45 ? 4.022 14.505 -3.588 1.00 0.00 ? 45 LEU A O 15 ATOM 22004 C CB . LEU A 1 45 ? 2.701 11.852 -2.127 1.00 0.00 ? 45 LEU A CB 15 ATOM 22005 C CG . LEU A 1 45 ? 1.414 11.462 -1.399 1.00 0.00 ? 45 LEU A CG 15 ATOM 22006 C CD1 . LEU A 1 45 ? 1.719 10.524 -0.242 1.00 0.00 ? 45 LEU A CD1 15 ATOM 22007 C CD2 . LEU A 1 45 ? 0.685 12.703 -0.905 1.00 0.00 ? 45 LEU A CD2 15 ATOM 22008 H H . LEU A 1 45 ? 1.952 10.793 -4.303 1.00 0.00 ? 45 LEU A H 15 ATOM 22009 H HA . LEU A 1 45 ? 1.772 13.394 -3.285 1.00 0.00 ? 45 LEU A HA 15 ATOM 22010 H HB2 . LEU A 1 45 ? 3.239 10.945 -2.356 1.00 0.00 ? 45 LEU A HB2 15 ATOM 22011 H HB3 . LEU A 1 45 ? 3.292 12.459 -1.456 1.00 0.00 ? 45 LEU A HB3 15 ATOM 22012 H HG . LEU A 1 45 ? 0.762 10.942 -2.087 1.00 0.00 ? 45 LEU A HG 15 ATOM 22013 H HD11 . LEU A 1 45 ? 0.947 9.773 -0.174 1.00 0.00 ? 45 LEU A HD11 15 ATOM 22014 H HD12 . LEU A 1 45 ? 1.755 11.088 0.679 1.00 0.00 ? 45 LEU A HD12 15 ATOM 22015 H HD13 . LEU A 1 45 ? 2.673 10.046 -0.408 1.00 0.00 ? 45 LEU A HD13 15 ATOM 22016 H HD21 . LEU A 1 45 ? 1.133 13.582 -1.343 1.00 0.00 ? 45 LEU A HD21 15 ATOM 22017 H HD22 . LEU A 1 45 ? 0.760 12.759 0.172 1.00 0.00 ? 45 LEU A HD22 15 ATOM 22018 H HD23 . LEU A 1 45 ? -0.355 12.647 -1.191 1.00 0.00 ? 45 LEU A HD23 15 ATOM 22019 N N . SER A 1 46 ? 4.748 12.534 -4.396 1.00 0.00 ? 46 SER A N 15 ATOM 22020 C CA . SER A 1 46 ? 6.045 13.056 -4.809 1.00 0.00 ? 46 SER A CA 15 ATOM 22021 C C . SER A 1 46 ? 5.884 14.106 -5.904 1.00 0.00 ? 46 SER A C 15 ATOM 22022 O O . SER A 1 46 ? 6.799 14.884 -6.172 1.00 0.00 ? 46 SER A O 15 ATOM 22023 C CB . SER A 1 46 ? 6.942 11.919 -5.304 1.00 0.00 ? 46 SER A CB 15 ATOM 22024 O OG . SER A 1 46 ? 8.262 12.377 -5.539 1.00 0.00 ? 46 SER A OG 15 ATOM 22025 H H . SER A 1 46 ? 4.542 11.588 -4.549 1.00 0.00 ? 46 SER A H 15 ATOM 22026 H HA . SER A 1 46 ? 6.506 13.518 -3.949 1.00 0.00 ? 46 SER A HA 15 ATOM 22027 H HB2 . SER A 1 46 ? 6.971 11.138 -4.560 1.00 0.00 ? 46 SER A HB2 15 ATOM 22028 H HB3 . SER A 1 46 ? 6.541 11.524 -6.226 1.00 0.00 ? 46 SER A HB3 15 ATOM 22029 H HG . SER A 1 46 ? 8.245 13.315 -5.743 1.00 0.00 ? 46 SER A HG 15 ATOM 22030 N N . GLU A 1 47 ? 4.713 14.120 -6.535 1.00 0.00 ? 47 GLU A N 15 ATOM 22031 C CA . GLU A 1 47 ? 4.432 15.073 -7.602 1.00 0.00 ? 47 GLU A CA 15 ATOM 22032 C C . GLU A 1 47 ? 3.895 16.383 -7.033 1.00 0.00 ? 47 GLU A C 15 ATOM 22033 O O . GLU A 1 47 ? 4.001 17.435 -7.663 1.00 0.00 ? 47 GLU A O 15 ATOM 22034 C CB . GLU A 1 47 ? 3.426 14.482 -8.591 1.00 0.00 ? 47 GLU A CB 15 ATOM 22035 C CG . GLU A 1 47 ? 4.005 13.381 -9.464 1.00 0.00 ? 47 GLU A CG 15 ATOM 22036 C CD . GLU A 1 47 ? 3.332 13.297 -10.820 1.00 0.00 ? 47 GLU A CD 15 ATOM 22037 O OE1 . GLU A 1 47 ? 3.472 14.252 -11.612 1.00 0.00 ? 47 GLU A OE1 15 ATOM 22038 O OE2 . GLU A 1 47 ? 2.667 12.275 -11.089 1.00 0.00 ? 47 GLU A OE2 15 ATOM 22039 H H . GLU A 1 47 ? 4.023 13.474 -6.276 1.00 0.00 ? 47 GLU A H 15 ATOM 22040 H HA . GLU A 1 47 ? 5.358 15.273 -8.120 1.00 0.00 ? 47 GLU A HA 15 ATOM 22041 H HB2 . GLU A 1 47 ? 2.592 14.075 -8.039 1.00 0.00 ? 47 GLU A HB2 15 ATOM 22042 H HB3 . GLU A 1 47 ? 3.068 15.272 -9.236 1.00 0.00 ? 47 GLU A HB3 15 ATOM 22043 H HG2 . GLU A 1 47 ? 5.057 13.572 -9.612 1.00 0.00 ? 47 GLU A HG2 15 ATOM 22044 H HG3 . GLU A 1 47 ? 3.880 12.435 -8.957 1.00 0.00 ? 47 GLU A HG3 15 ATOM 22045 N N . ALA A 1 48 ? 3.316 16.309 -5.839 1.00 0.00 ? 48 ALA A N 15 ATOM 22046 C CA . ALA A 1 48 ? 2.762 17.488 -5.185 1.00 0.00 ? 48 ALA A CA 15 ATOM 22047 C C . ALA A 1 48 ? 3.870 18.389 -4.649 1.00 0.00 ? 48 ALA A C 15 ATOM 22048 O O . ALA A 1 48 ? 3.961 19.561 -5.015 1.00 0.00 ? 48 ALA A O 15 ATOM 22049 C CB . ALA A 1 48 ? 1.824 17.076 -4.060 1.00 0.00 ? 48 ALA A CB 15 ATOM 22050 H H . ALA A 1 48 ? 3.261 15.442 -5.387 1.00 0.00 ? 48 ALA A H 15 ATOM 22051 H HA . ALA A 1 48 ? 2.188 18.038 -5.917 1.00 0.00 ? 48 ALA A HA 15 ATOM 22052 H HB1 . ALA A 1 48 ? 2.350 16.429 -3.373 1.00 0.00 ? 48 ALA A HB1 15 ATOM 22053 H HB2 . ALA A 1 48 ? 1.481 17.956 -3.537 1.00 0.00 ? 48 ALA A HB2 15 ATOM 22054 H HB3 . ALA A 1 48 ? 0.977 16.550 -4.474 1.00 0.00 ? 48 ALA A HB3 15 ATOM 22055 N N . MET A 1 49 ? 4.708 17.835 -3.779 1.00 0.00 ? 49 MET A N 15 ATOM 22056 C CA . MET A 1 49 ? 5.810 18.590 -3.193 1.00 0.00 ? 49 MET A CA 15 ATOM 22057 C C . MET A 1 49 ? 6.656 19.247 -4.278 1.00 0.00 ? 49 MET A C 15 ATOM 22058 O O . MET A 1 49 ? 7.117 20.378 -4.122 1.00 0.00 ? 49 MET A O 15 ATOM 22059 C CB . MET A 1 49 ? 6.682 17.675 -2.333 1.00 0.00 ? 49 MET A CB 15 ATOM 22060 C CG . MET A 1 49 ? 7.130 16.411 -3.050 1.00 0.00 ? 49 MET A CG 15 ATOM 22061 S SD . MET A 1 49 ? 7.914 15.224 -1.943 1.00 0.00 ? 49 MET A SD 15 ATOM 22062 C CE . MET A 1 49 ? 6.738 15.193 -0.592 1.00 0.00 ? 49 MET A CE 15 ATOM 22063 H H . MET A 1 49 ? 4.584 16.897 -3.525 1.00 0.00 ? 49 MET A H 15 ATOM 22064 H HA . MET A 1 49 ? 5.386 19.361 -2.567 1.00 0.00 ? 49 MET A HA 15 ATOM 22065 H HB2 . MET A 1 49 ? 7.563 18.220 -2.027 1.00 0.00 ? 49 MET A HB2 15 ATOM 22066 H HB3 . MET A 1 49 ? 6.124 17.385 -1.455 1.00 0.00 ? 49 MET A HB3 15 ATOM 22067 H HG2 . MET A 1 49 ? 6.267 15.945 -3.502 1.00 0.00 ? 49 MET A HG2 15 ATOM 22068 H HG3 . MET A 1 49 ? 7.835 16.683 -3.822 1.00 0.00 ? 49 MET A HG3 15 ATOM 22069 H HE1 . MET A 1 49 ? 6.918 16.034 0.061 1.00 0.00 ? 49 MET A HE1 15 ATOM 22070 H HE2 . MET A 1 49 ? 5.734 15.252 -0.987 1.00 0.00 ? 49 MET A HE2 15 ATOM 22071 H HE3 . MET A 1 49 ? 6.853 14.274 -0.036 1.00 0.00 ? 49 MET A HE3 15 ATOM 22072 N N . LYS A 1 50 ? 6.859 18.531 -5.379 1.00 0.00 ? 50 LYS A N 15 ATOM 22073 C CA . LYS A 1 50 ? 7.649 19.043 -6.492 1.00 0.00 ? 50 LYS A CA 15 ATOM 22074 C C . LYS A 1 50 ? 6.989 20.273 -7.107 1.00 0.00 ? 50 LYS A C 15 ATOM 22075 O O . LYS A 1 50 ? 7.657 21.110 -7.715 1.00 0.00 ? 50 LYS A O 15 ATOM 22076 C CB . LYS A 1 50 ? 7.830 17.961 -7.558 1.00 0.00 ? 50 LYS A CB 15 ATOM 22077 C CG . LYS A 1 50 ? 8.967 16.998 -7.261 1.00 0.00 ? 50 LYS A CG 15 ATOM 22078 C CD . LYS A 1 50 ? 9.100 15.941 -8.345 1.00 0.00 ? 50 LYS A CD 15 ATOM 22079 C CE . LYS A 1 50 ? 10.244 14.983 -8.051 1.00 0.00 ? 50 LYS A CE 15 ATOM 22080 N NZ . LYS A 1 50 ? 11.566 15.665 -8.105 1.00 0.00 ? 50 LYS A NZ 15 ATOM 22081 H H . LYS A 1 50 ? 6.465 17.635 -5.445 1.00 0.00 ? 50 LYS A H 15 ATOM 22082 H HA . LYS A 1 50 ? 8.619 19.324 -6.108 1.00 0.00 ? 50 LYS A HA 15 ATOM 22083 H HB2 . LYS A 1 50 ? 6.915 17.391 -7.634 1.00 0.00 ? 50 LYS A HB2 15 ATOM 22084 H HB3 . LYS A 1 50 ? 8.028 18.437 -8.508 1.00 0.00 ? 50 LYS A HB3 15 ATOM 22085 H HG2 . LYS A 1 50 ? 9.891 17.554 -7.201 1.00 0.00 ? 50 LYS A HG2 15 ATOM 22086 H HG3 . LYS A 1 50 ? 8.776 16.510 -6.316 1.00 0.00 ? 50 LYS A HG3 15 ATOM 22087 H HD2 . LYS A 1 50 ? 8.180 15.378 -8.401 1.00 0.00 ? 50 LYS A HD2 15 ATOM 22088 H HD3 . LYS A 1 50 ? 9.284 16.429 -9.291 1.00 0.00 ? 50 LYS A HD3 15 ATOM 22089 H HE2 . LYS A 1 50 ? 10.103 14.566 -7.066 1.00 0.00 ? 50 LYS A HE2 15 ATOM 22090 H HE3 . LYS A 1 50 ? 10.228 14.189 -8.783 1.00 0.00 ? 50 LYS A HE3 15 ATOM 22091 H HZ1 . LYS A 1 50 ? 11.506 16.597 -7.646 1.00 0.00 ? 50 LYS A HZ1 15 ATOM 22092 H HZ2 . LYS A 1 50 ? 11.861 15.797 -9.093 1.00 0.00 ? 50 LYS A HZ2 15 ATOM 22093 H HZ3 . LYS A 1 50 ? 12.284 15.095 -7.613 1.00 0.00 ? 50 LYS A HZ3 15 ATOM 22094 N N . LEU A 1 51 ? 5.675 20.376 -6.945 1.00 0.00 ? 51 LEU A N 15 ATOM 22095 C CA . LEU A 1 51 ? 4.924 21.505 -7.484 1.00 0.00 ? 51 LEU A CA 15 ATOM 22096 C C . LEU A 1 51 ? 4.795 22.617 -6.448 1.00 0.00 ? 51 LEU A C 15 ATOM 22097 O O . LEU A 1 51 ? 5.194 23.757 -6.691 1.00 0.00 ? 51 LEU A O 15 ATOM 22098 C CB . LEU A 1 51 ? 3.535 21.050 -7.936 1.00 0.00 ? 51 LEU A CB 15 ATOM 22099 C CG . LEU A 1 51 ? 2.506 22.158 -8.161 1.00 0.00 ? 51 LEU A CG 15 ATOM 22100 C CD1 . LEU A 1 51 ? 2.620 22.715 -9.571 1.00 0.00 ? 51 LEU A CD1 15 ATOM 22101 C CD2 . LEU A 1 51 ? 1.099 21.639 -7.903 1.00 0.00 ? 51 LEU A CD2 15 ATOM 22102 H H . LEU A 1 51 ? 5.197 19.678 -6.452 1.00 0.00 ? 51 LEU A H 15 ATOM 22103 H HA . LEU A 1 51 ? 5.465 21.886 -8.338 1.00 0.00 ? 51 LEU A HA 15 ATOM 22104 H HB2 . LEU A 1 51 ? 3.650 20.512 -8.865 1.00 0.00 ? 51 LEU A HB2 15 ATOM 22105 H HB3 . LEU A 1 51 ? 3.145 20.382 -7.182 1.00 0.00 ? 51 LEU A HB3 15 ATOM 22106 H HG . LEU A 1 51 ? 2.698 22.965 -7.467 1.00 0.00 ? 51 LEU A HG 15 ATOM 22107 H HD11 . LEU A 1 51 ? 3.299 23.554 -9.573 1.00 0.00 ? 51 LEU A HD11 15 ATOM 22108 H HD12 . LEU A 1 51 ? 1.647 23.039 -9.910 1.00 0.00 ? 51 LEU A HD12 15 ATOM 22109 H HD13 . LEU A 1 51 ? 2.994 21.947 -10.232 1.00 0.00 ? 51 LEU A HD13 15 ATOM 22110 H HD21 . LEU A 1 51 ? 0.716 22.075 -6.992 1.00 0.00 ? 51 LEU A HD21 15 ATOM 22111 H HD22 . LEU A 1 51 ? 1.124 20.564 -7.803 1.00 0.00 ? 51 LEU A HD22 15 ATOM 22112 H HD23 . LEU A 1 51 ? 0.458 21.910 -8.729 1.00 0.00 ? 51 LEU A HD23 15 ATOM 22113 N N . THR A 1 52 ? 4.236 22.279 -5.290 1.00 0.00 ? 52 THR A N 15 ATOM 22114 C CA . THR A 1 52 ? 4.055 23.248 -4.217 1.00 0.00 ? 52 THR A CA 15 ATOM 22115 C C . THR A 1 52 ? 5.372 23.929 -3.863 1.00 0.00 ? 52 THR A C 15 ATOM 22116 O O . THR A 1 52 ? 6.373 23.264 -3.600 1.00 0.00 ? 52 THR A O 15 ATOM 22117 C CB . THR A 1 52 ? 3.477 22.584 -2.953 1.00 0.00 ? 52 THR A CB 15 ATOM 22118 O OG1 . THR A 1 52 ? 2.789 23.557 -2.159 1.00 0.00 ? 52 THR A OG1 15 ATOM 22119 C CG2 . THR A 1 52 ? 4.581 21.939 -2.128 1.00 0.00 ? 52 THR A CG2 15 ATOM 22120 H H . THR A 1 52 ? 3.938 21.355 -5.157 1.00 0.00 ? 52 THR A H 15 ATOM 22121 H HA . THR A 1 52 ? 3.354 23.996 -4.557 1.00 0.00 ? 52 THR A HA 15 ATOM 22122 H HB . THR A 1 52 ? 2.778 21.817 -3.254 1.00 0.00 ? 52 THR A HB 15 ATOM 22123 H HG1 . THR A 1 52 ? 2.360 24.195 -2.735 1.00 0.00 ? 52 THR A HG1 15 ATOM 22124 H HG21 . THR A 1 52 ? 4.158 21.167 -1.502 1.00 0.00 ? 52 THR A HG21 15 ATOM 22125 H HG22 . THR A 1 52 ? 5.052 22.687 -1.509 1.00 0.00 ? 52 THR A HG22 15 ATOM 22126 H HG23 . THR A 1 52 ? 5.315 21.503 -2.789 1.00 0.00 ? 52 THR A HG23 15 ATOM 22127 N N . GLU A 1 53 ? 5.363 25.258 -3.858 1.00 0.00 ? 53 GLU A N 15 ATOM 22128 C CA . GLU A 1 53 ? 6.558 26.028 -3.536 1.00 0.00 ? 53 GLU A CA 15 ATOM 22129 C C . GLU A 1 53 ? 6.508 26.536 -2.098 1.00 0.00 ? 53 GLU A C 15 ATOM 22130 O O . GLU A 1 53 ? 7.125 27.548 -1.764 1.00 0.00 ? 53 GLU A O 15 ATOM 22131 C CB . GLU A 1 53 ? 6.708 27.207 -4.500 1.00 0.00 ? 53 GLU A CB 15 ATOM 22132 C CG . GLU A 1 53 ? 7.182 26.803 -5.886 1.00 0.00 ? 53 GLU A CG 15 ATOM 22133 C CD . GLU A 1 53 ? 7.610 27.992 -6.725 1.00 0.00 ? 53 GLU A CD 15 ATOM 22134 O OE1 . GLU A 1 53 ? 8.403 28.816 -6.224 1.00 0.00 ? 53 GLU A OE1 15 ATOM 22135 O OE2 . GLU A 1 53 ? 7.152 28.098 -7.882 1.00 0.00 ? 53 GLU A OE2 15 ATOM 22136 H H . GLU A 1 53 ? 4.533 25.732 -4.076 1.00 0.00 ? 53 GLU A H 15 ATOM 22137 H HA . GLU A 1 53 ? 7.412 25.376 -3.645 1.00 0.00 ? 53 GLU A HA 15 ATOM 22138 H HB2 . GLU A 1 53 ? 5.752 27.700 -4.598 1.00 0.00 ? 53 GLU A HB2 15 ATOM 22139 H HB3 . GLU A 1 53 ? 7.422 27.905 -4.088 1.00 0.00 ? 53 GLU A HB3 15 ATOM 22140 H HG2 . GLU A 1 53 ? 8.022 26.133 -5.785 1.00 0.00 ? 53 GLU A HG2 15 ATOM 22141 H HG3 . GLU A 1 53 ? 6.376 26.294 -6.394 1.00 0.00 ? 53 GLU A HG3 15 ATOM 22142 N N . SER A 1 54 ? 5.767 25.827 -1.252 1.00 0.00 ? 54 SER A N 15 ATOM 22143 C CA . SER A 1 54 ? 5.631 26.208 0.149 1.00 0.00 ? 54 SER A CA 15 ATOM 22144 C C . SER A 1 54 ? 6.368 25.224 1.053 1.00 0.00 ? 54 SER A C 15 ATOM 22145 O O . SER A 1 54 ? 6.645 24.092 0.660 1.00 0.00 ? 54 SER A O 15 ATOM 22146 C CB . SER A 1 54 ? 4.154 26.271 0.542 1.00 0.00 ? 54 SER A CB 15 ATOM 22147 O OG . SER A 1 54 ? 3.449 27.193 -0.271 1.00 0.00 ? 54 SER A OG 15 ATOM 22148 H H . SER A 1 54 ? 5.299 25.030 -1.579 1.00 0.00 ? 54 SER A H 15 ATOM 22149 H HA . SER A 1 54 ? 6.069 27.188 0.270 1.00 0.00 ? 54 SER A HA 15 ATOM 22150 H HB2 . SER A 1 54 ? 3.711 25.293 0.424 1.00 0.00 ? 54 SER A HB2 15 ATOM 22151 H HB3 . SER A 1 54 ? 4.071 26.581 1.573 1.00 0.00 ? 54 SER A HB3 15 ATOM 22152 H HG . SER A 1 54 ? 3.789 27.153 -1.168 1.00 0.00 ? 54 SER A HG 15 ATOM 22153 N N . GLU A 1 55 ? 6.683 25.667 2.267 1.00 0.00 ? 55 GLU A N 15 ATOM 22154 C CA . GLU A 1 55 ? 7.388 24.826 3.227 1.00 0.00 ? 55 GLU A CA 15 ATOM 22155 C C . GLU A 1 55 ? 6.425 23.868 3.922 1.00 0.00 ? 55 GLU A C 15 ATOM 22156 O O . GLU A 1 55 ? 6.589 22.651 3.854 1.00 0.00 ? 55 GLU A O 15 ATOM 22157 C CB . GLU A 1 55 ? 8.104 25.691 4.266 1.00 0.00 ? 55 GLU A CB 15 ATOM 22158 C CG . GLU A 1 55 ? 9.294 25.004 4.914 1.00 0.00 ? 55 GLU A CG 15 ATOM 22159 C CD . GLU A 1 55 ? 9.997 25.887 5.928 1.00 0.00 ? 55 GLU A CD 15 ATOM 22160 O OE1 . GLU A 1 55 ? 10.207 27.081 5.631 1.00 0.00 ? 55 GLU A OE1 15 ATOM 22161 O OE2 . GLU A 1 55 ? 10.335 25.382 7.019 1.00 0.00 ? 55 GLU A OE2 15 ATOM 22162 H H . GLU A 1 55 ? 6.435 26.580 2.522 1.00 0.00 ? 55 GLU A H 15 ATOM 22163 H HA . GLU A 1 55 ? 8.123 24.249 2.685 1.00 0.00 ? 55 GLU A HA 15 ATOM 22164 H HB2 . GLU A 1 55 ? 8.452 26.595 3.788 1.00 0.00 ? 55 GLU A HB2 15 ATOM 22165 H HB3 . GLU A 1 55 ? 7.401 25.954 5.043 1.00 0.00 ? 55 GLU A HB3 15 ATOM 22166 H HG2 . GLU A 1 55 ? 8.950 24.112 5.414 1.00 0.00 ? 55 GLU A HG2 15 ATOM 22167 H HG3 . GLU A 1 55 ? 10.001 24.734 4.143 1.00 0.00 ? 55 GLU A HG3 15 ATOM 22168 N N . GLN A 1 56 ? 5.422 24.429 4.590 1.00 0.00 ? 56 GLN A N 15 ATOM 22169 C CA . GLN A 1 56 ? 4.433 23.624 5.299 1.00 0.00 ? 56 GLN A CA 15 ATOM 22170 C C . GLN A 1 56 ? 3.874 22.529 4.396 1.00 0.00 ? 56 GLN A C 15 ATOM 22171 O O . GLN A 1 56 ? 3.899 21.350 4.746 1.00 0.00 ? 56 GLN A O 15 ATOM 22172 C CB . GLN A 1 56 ? 3.296 24.510 5.810 1.00 0.00 ? 56 GLN A CB 15 ATOM 22173 C CG . GLN A 1 56 ? 3.614 25.212 7.121 1.00 0.00 ? 56 GLN A CG 15 ATOM 22174 C CD . GLN A 1 56 ? 3.322 24.347 8.331 1.00 0.00 ? 56 GLN A CD 15 ATOM 22175 O OE1 . GLN A 1 56 ? 2.174 24.224 8.758 1.00 0.00 ? 56 GLN A OE1 15 ATOM 22176 N NE2 . GLN A 1 56 ? 4.363 23.742 8.892 1.00 0.00 ? 56 GLN A NE2 15 ATOM 22177 H H . GLN A 1 56 ? 5.345 25.405 4.607 1.00 0.00 ? 56 GLN A H 15 ATOM 22178 H HA . GLN A 1 56 ? 4.925 23.163 6.141 1.00 0.00 ? 56 GLN A HA 15 ATOM 22179 H HB2 . GLN A 1 56 ? 3.080 25.263 5.067 1.00 0.00 ? 56 GLN A HB2 15 ATOM 22180 H HB3 . GLN A 1 56 ? 2.418 23.899 5.958 1.00 0.00 ? 56 GLN A HB3 15 ATOM 22181 H HG2 . GLN A 1 56 ? 4.662 25.473 7.130 1.00 0.00 ? 56 GLN A HG2 15 ATOM 22182 H HG3 . GLN A 1 56 ? 3.019 26.110 7.187 1.00 0.00 ? 56 GLN A HG3 15 ATOM 22183 H HE21 . GLN A 1 56 ? 5.249 23.887 8.498 1.00 0.00 ? 56 GLN A HE21 15 ATOM 22184 H HE22 . GLN A 1 56 ? 4.203 23.177 9.676 1.00 0.00 ? 56 GLN A HE22 15 ATOM 22185 N N . ALA A 1 57 ? 3.370 22.928 3.233 1.00 0.00 ? 57 ALA A N 15 ATOM 22186 C CA . ALA A 1 57 ? 2.806 21.981 2.280 1.00 0.00 ? 57 ALA A CA 15 ATOM 22187 C C . ALA A 1 57 ? 3.762 20.819 2.029 1.00 0.00 ? 57 ALA A C 15 ATOM 22188 O O . ALA A 1 57 ? 3.433 19.663 2.297 1.00 0.00 ? 57 ALA A O 15 ATOM 22189 C CB . ALA A 1 57 ? 2.472 22.683 0.972 1.00 0.00 ? 57 ALA A CB 15 ATOM 22190 H H . ALA A 1 57 ? 3.379 23.882 3.010 1.00 0.00 ? 57 ALA A H 15 ATOM 22191 H HA . ALA A 1 57 ? 1.887 21.594 2.697 1.00 0.00 ? 57 ALA A HA 15 ATOM 22192 H HB1 . ALA A 1 57 ? 2.488 23.753 1.125 1.00 0.00 ? 57 ALA A HB1 15 ATOM 22193 H HB2 . ALA A 1 57 ? 3.202 22.416 0.223 1.00 0.00 ? 57 ALA A HB2 15 ATOM 22194 H HB3 . ALA A 1 57 ? 1.490 22.381 0.642 1.00 0.00 ? 57 ALA A HB3 15 ATOM 22195 N N . HIS A 1 58 ? 4.946 21.134 1.514 1.00 0.00 ? 58 HIS A N 15 ATOM 22196 C CA . HIS A 1 58 ? 5.950 20.116 1.227 1.00 0.00 ? 58 HIS A CA 15 ATOM 22197 C C . HIS A 1 58 ? 6.120 19.171 2.413 1.00 0.00 ? 58 HIS A C 15 ATOM 22198 O O . HIS A 1 58 ? 6.060 17.950 2.261 1.00 0.00 ? 58 HIS A O 15 ATOM 22199 C CB . HIS A 1 58 ? 7.289 20.771 0.886 1.00 0.00 ? 58 HIS A CB 15 ATOM 22200 C CG . HIS A 1 58 ? 8.410 19.791 0.720 1.00 0.00 ? 58 HIS A CG 15 ATOM 22201 N ND1 . HIS A 1 58 ? 8.881 19.004 1.749 1.00 0.00 ? 58 HIS A ND1 15 ATOM 22202 C CD2 . HIS A 1 58 ? 9.153 19.473 -0.366 1.00 0.00 ? 58 HIS A CD2 15 ATOM 22203 C CE1 . HIS A 1 58 ? 9.866 18.245 1.305 1.00 0.00 ? 58 HIS A CE1 15 ATOM 22204 N NE2 . HIS A 1 58 ? 10.051 18.510 0.024 1.00 0.00 ? 58 HIS A NE2 15 ATOM 22205 H H . HIS A 1 58 ? 5.149 22.073 1.322 1.00 0.00 ? 58 HIS A H 15 ATOM 22206 H HA . HIS A 1 58 ? 5.611 19.546 0.375 1.00 0.00 ? 58 HIS A HA 15 ATOM 22207 H HB2 . HIS A 1 58 ? 7.189 21.320 -0.038 1.00 0.00 ? 58 HIS A HB2 15 ATOM 22208 H HB3 . HIS A 1 58 ? 7.560 21.455 1.678 1.00 0.00 ? 58 HIS A HB3 15 ATOM 22209 H HD1 . HIS A 1 58 ? 8.544 19.003 2.669 1.00 0.00 ? 58 HIS A HD1 15 ATOM 22210 H HD2 . HIS A 1 58 ? 9.058 19.897 -1.356 1.00 0.00 ? 58 HIS A HD2 15 ATOM 22211 H HE1 . HIS A 1 58 ? 10.426 17.529 1.888 1.00 0.00 ? 58 HIS A HE1 15 ATOM 22212 H HE2 . HIS A 1 58 ? 10.775 18.149 -0.528 1.00 0.00 ? 58 HIS A HE2 15 ATOM 22213 N N . LEU A 1 59 ? 6.333 19.743 3.593 1.00 0.00 ? 59 LEU A N 15 ATOM 22214 C CA . LEU A 1 59 ? 6.512 18.952 4.805 1.00 0.00 ? 59 LEU A CA 15 ATOM 22215 C C . LEU A 1 59 ? 5.371 17.955 4.979 1.00 0.00 ? 59 LEU A C 15 ATOM 22216 O O . LEU A 1 59 ? 5.597 16.750 5.092 1.00 0.00 ? 59 LEU A O 15 ATOM 22217 C CB . LEU A 1 59 ? 6.595 19.868 6.028 1.00 0.00 ? 59 LEU A CB 15 ATOM 22218 C CG . LEU A 1 59 ? 7.994 20.349 6.412 1.00 0.00 ? 59 LEU A CG 15 ATOM 22219 C CD1 . LEU A 1 59 ? 8.733 20.873 5.191 1.00 0.00 ? 59 LEU A CD1 15 ATOM 22220 C CD2 . LEU A 1 59 ? 7.912 21.422 7.488 1.00 0.00 ? 59 LEU A CD2 15 ATOM 22221 H H . LEU A 1 59 ? 6.370 20.720 3.651 1.00 0.00 ? 59 LEU A H 15 ATOM 22222 H HA . LEU A 1 59 ? 7.439 18.406 4.711 1.00 0.00 ? 59 LEU A HA 15 ATOM 22223 H HB2 . LEU A 1 59 ? 5.988 20.738 5.830 1.00 0.00 ? 59 LEU A HB2 15 ATOM 22224 H HB3 . LEU A 1 59 ? 6.185 19.330 6.871 1.00 0.00 ? 59 LEU A HB3 15 ATOM 22225 H HG . LEU A 1 59 ? 8.557 19.517 6.811 1.00 0.00 ? 59 LEU A HG 15 ATOM 22226 H HD11 . LEU A 1 59 ? 8.597 20.188 4.367 1.00 0.00 ? 59 LEU A HD11 15 ATOM 22227 H HD12 . LEU A 1 59 ? 9.785 20.960 5.416 1.00 0.00 ? 59 LEU A HD12 15 ATOM 22228 H HD13 . LEU A 1 59 ? 8.341 21.843 4.922 1.00 0.00 ? 59 LEU A HD13 15 ATOM 22229 H HD21 . LEU A 1 59 ? 7.228 22.196 7.173 1.00 0.00 ? 59 LEU A HD21 15 ATOM 22230 H HD22 . LEU A 1 59 ? 8.891 21.850 7.646 1.00 0.00 ? 59 LEU A HD22 15 ATOM 22231 H HD23 . LEU A 1 59 ? 7.558 20.982 8.409 1.00 0.00 ? 59 LEU A HD23 15 ATOM 22232 N N . SER A 1 60 ? 4.143 18.465 4.997 1.00 0.00 ? 60 SER A N 15 ATOM 22233 C CA . SER A 1 60 ? 2.966 17.620 5.158 1.00 0.00 ? 60 SER A CA 15 ATOM 22234 C C . SER A 1 60 ? 3.074 16.368 4.293 1.00 0.00 ? 60 SER A C 15 ATOM 22235 O O . SER A 1 60 ? 2.482 15.333 4.602 1.00 0.00 ? 60 SER A O 15 ATOM 22236 C CB . SER A 1 60 ? 1.700 18.398 4.793 1.00 0.00 ? 60 SER A CB 15 ATOM 22237 O OG . SER A 1 60 ? 1.460 19.444 5.718 1.00 0.00 ? 60 SER A OG 15 ATOM 22238 H H . SER A 1 60 ? 4.028 19.434 4.902 1.00 0.00 ? 60 SER A H 15 ATOM 22239 H HA . SER A 1 60 ? 2.910 17.324 6.195 1.00 0.00 ? 60 SER A HA 15 ATOM 22240 H HB2 . SER A 1 60 ? 1.813 18.823 3.808 1.00 0.00 ? 60 SER A HB2 15 ATOM 22241 H HB3 . SER A 1 60 ? 0.854 17.726 4.800 1.00 0.00 ? 60 SER A HB3 15 ATOM 22242 H HG . SER A 1 60 ? 2.289 19.711 6.122 1.00 0.00 ? 60 SER A HG 15 ATOM 22243 N N . LEU A 1 61 ? 3.835 16.469 3.209 1.00 0.00 ? 61 LEU A N 15 ATOM 22244 C CA . LEU A 1 61 ? 4.022 15.345 2.298 1.00 0.00 ? 61 LEU A CA 15 ATOM 22245 C C . LEU A 1 61 ? 5.270 14.549 2.665 1.00 0.00 ? 61 LEU A C 15 ATOM 22246 O O . LEU A 1 61 ? 5.191 13.358 2.965 1.00 0.00 ? 61 LEU A O 15 ATOM 22247 C CB . LEU A 1 61 ? 4.128 15.845 0.856 1.00 0.00 ? 61 LEU A CB 15 ATOM 22248 C CG . LEU A 1 61 ? 3.007 16.771 0.382 1.00 0.00 ? 61 LEU A CG 15 ATOM 22249 C CD1 . LEU A 1 61 ? 3.373 17.416 -0.946 1.00 0.00 ? 61 LEU A CD1 15 ATOM 22250 C CD2 . LEU A 1 61 ? 1.697 16.006 0.263 1.00 0.00 ? 61 LEU A CD2 15 ATOM 22251 H H . LEU A 1 61 ? 4.282 17.319 3.015 1.00 0.00 ? 61 LEU A H 15 ATOM 22252 H HA . LEU A 1 61 ? 3.160 14.701 2.385 1.00 0.00 ? 61 LEU A HA 15 ATOM 22253 H HB2 . LEU A 1 61 ? 5.061 16.378 0.758 1.00 0.00 ? 61 LEU A HB2 15 ATOM 22254 H HB3 . LEU A 1 61 ? 4.139 14.980 0.207 1.00 0.00 ? 61 LEU A HB3 15 ATOM 22255 H HG . LEU A 1 61 ? 2.870 17.560 1.109 1.00 0.00 ? 61 LEU A HG 15 ATOM 22256 H HD11 . LEU A 1 61 ? 2.540 18.003 -1.302 1.00 0.00 ? 61 LEU A HD11 15 ATOM 22257 H HD12 . LEU A 1 61 ? 3.606 16.647 -1.667 1.00 0.00 ? 61 LEU A HD12 15 ATOM 22258 H HD13 . LEU A 1 61 ? 4.233 18.055 -0.811 1.00 0.00 ? 61 LEU A HD13 15 ATOM 22259 H HD21 . LEU A 1 61 ? 1.026 16.543 -0.391 1.00 0.00 ? 61 LEU A HD21 15 ATOM 22260 H HD22 . LEU A 1 61 ? 1.247 15.910 1.241 1.00 0.00 ? 61 LEU A HD22 15 ATOM 22261 H HD23 . LEU A 1 61 ? 1.889 15.025 -0.144 1.00 0.00 ? 61 LEU A HD23 15 ATOM 22262 N N . GLU A 1 62 ? 6.420 15.215 2.640 1.00 0.00 ? 62 GLU A N 15 ATOM 22263 C CA . GLU A 1 62 ? 7.684 14.569 2.972 1.00 0.00 ? 62 GLU A CA 15 ATOM 22264 C C . GLU A 1 62 ? 7.519 13.632 4.166 1.00 0.00 ? 62 GLU A C 15 ATOM 22265 O O . GLU A 1 62 ? 8.233 12.636 4.291 1.00 0.00 ? 62 GLU A O 15 ATOM 22266 C CB . GLU A 1 62 ? 8.755 15.619 3.278 1.00 0.00 ? 62 GLU A CB 15 ATOM 22267 C CG . GLU A 1 62 ? 8.805 16.028 4.740 1.00 0.00 ? 62 GLU A CG 15 ATOM 22268 C CD . GLU A 1 62 ? 9.786 17.156 4.997 1.00 0.00 ? 62 GLU A CD 15 ATOM 22269 O OE1 . GLU A 1 62 ? 9.952 18.013 4.105 1.00 0.00 ? 62 GLU A OE1 15 ATOM 22270 O OE2 . GLU A 1 62 ? 10.388 17.180 6.091 1.00 0.00 ? 62 GLU A OE2 15 ATOM 22271 H H . GLU A 1 62 ? 6.418 16.164 2.393 1.00 0.00 ? 62 GLU A H 15 ATOM 22272 H HA . GLU A 1 62 ? 7.995 13.990 2.116 1.00 0.00 ? 62 GLU A HA 15 ATOM 22273 H HB2 . GLU A 1 62 ? 9.720 15.221 3.003 1.00 0.00 ? 62 GLU A HB2 15 ATOM 22274 H HB3 . GLU A 1 62 ? 8.556 16.500 2.686 1.00 0.00 ? 62 GLU A HB3 15 ATOM 22275 H HG2 . GLU A 1 62 ? 7.821 16.353 5.044 1.00 0.00 ? 62 GLU A HG2 15 ATOM 22276 H HG3 . GLU A 1 62 ? 9.099 15.173 5.331 1.00 0.00 ? 62 GLU A HG3 15 ATOM 22277 N N . LEU A 1 63 ? 6.574 13.958 5.040 1.00 0.00 ? 63 LEU A N 15 ATOM 22278 C CA . LEU A 1 63 ? 6.315 13.147 6.224 1.00 0.00 ? 63 LEU A CA 15 ATOM 22279 C C . LEU A 1 63 ? 5.325 12.029 5.913 1.00 0.00 ? 63 LEU A C 15 ATOM 22280 O O . LEU A 1 63 ? 5.608 10.854 6.146 1.00 0.00 ? 63 LEU A O 15 ATOM 22281 C CB . LEU A 1 63 ? 5.774 14.021 7.357 1.00 0.00 ? 63 LEU A CB 15 ATOM 22282 C CG . LEU A 1 63 ? 6.762 15.015 7.969 1.00 0.00 ? 63 LEU A CG 15 ATOM 22283 C CD1 . LEU A 1 63 ? 6.025 16.074 8.774 1.00 0.00 ? 63 LEU A CD1 15 ATOM 22284 C CD2 . LEU A 1 63 ? 7.776 14.290 8.841 1.00 0.00 ? 63 LEU A CD2 15 ATOM 22285 H H . LEU A 1 63 ? 6.038 14.763 4.887 1.00 0.00 ? 63 LEU A H 15 ATOM 22286 H HA . LEU A 1 63 ? 7.250 12.707 6.536 1.00 0.00 ? 63 LEU A HA 15 ATOM 22287 H HB2 . LEU A 1 63 ? 4.937 14.583 6.970 1.00 0.00 ? 63 LEU A HB2 15 ATOM 22288 H HB3 . LEU A 1 63 ? 5.431 13.366 8.145 1.00 0.00 ? 63 LEU A HB3 15 ATOM 22289 H HG . LEU A 1 63 ? 7.299 15.514 7.174 1.00 0.00 ? 63 LEU A HG 15 ATOM 22290 H HD11 . LEU A 1 63 ? 6.704 16.527 9.479 1.00 0.00 ? 63 LEU A HD11 15 ATOM 22291 H HD12 . LEU A 1 63 ? 5.205 15.616 9.306 1.00 0.00 ? 63 LEU A HD12 15 ATOM 22292 H HD13 . LEU A 1 63 ? 5.641 16.831 8.105 1.00 0.00 ? 63 LEU A HD13 15 ATOM 22293 H HD21 . LEU A 1 63 ? 7.997 13.325 8.409 1.00 0.00 ? 63 LEU A HD21 15 ATOM 22294 H HD22 . LEU A 1 63 ? 7.368 14.155 9.832 1.00 0.00 ? 63 LEU A HD22 15 ATOM 22295 H HD23 . LEU A 1 63 ? 8.683 14.874 8.901 1.00 0.00 ? 63 LEU A HD23 15 ATOM 22296 N N . GLN A 1 64 ? 4.165 12.403 5.383 1.00 0.00 ? 64 GLN A N 15 ATOM 22297 C CA . GLN A 1 64 ? 3.135 11.431 5.037 1.00 0.00 ? 64 GLN A CA 15 ATOM 22298 C C . GLN A 1 64 ? 3.690 10.355 4.111 1.00 0.00 ? 64 GLN A C 15 ATOM 22299 O O . GLN A 1 64 ? 3.150 9.251 4.032 1.00 0.00 ? 64 GLN A O 15 ATOM 22300 C CB . GLN A 1 64 ? 1.947 12.130 4.373 1.00 0.00 ? 64 GLN A CB 15 ATOM 22301 C CG . GLN A 1 64 ? 0.641 11.363 4.500 1.00 0.00 ? 64 GLN A CG 15 ATOM 22302 C CD . GLN A 1 64 ? 0.223 11.157 5.943 1.00 0.00 ? 64 GLN A CD 15 ATOM 22303 O OE1 . GLN A 1 64 ? 0.712 11.837 6.846 1.00 0.00 ? 64 GLN A OE1 15 ATOM 22304 N NE2 . GLN A 1 64 ? -0.686 10.215 6.168 1.00 0.00 ? 64 GLN A NE2 15 ATOM 22305 H H . GLN A 1 64 ? 3.999 13.355 5.220 1.00 0.00 ? 64 GLN A H 15 ATOM 22306 H HA . GLN A 1 64 ? 2.800 10.964 5.951 1.00 0.00 ? 64 GLN A HA 15 ATOM 22307 H HB2 . GLN A 1 64 ? 1.816 13.100 4.827 1.00 0.00 ? 64 GLN A HB2 15 ATOM 22308 H HB3 . GLN A 1 64 ? 2.163 12.258 3.322 1.00 0.00 ? 64 GLN A HB3 15 ATOM 22309 H HG2 . GLN A 1 64 ? -0.136 11.913 3.992 1.00 0.00 ? 64 GLN A HG2 15 ATOM 22310 H HG3 . GLN A 1 64 ? 0.759 10.396 4.033 1.00 0.00 ? 64 GLN A HG3 15 ATOM 22311 H HE21 . GLN A 1 64 ? -1.030 9.712 5.400 1.00 0.00 ? 64 GLN A HE21 15 ATOM 22312 H HE22 . GLN A 1 64 ? -0.973 10.061 7.091 1.00 0.00 ? 64 GLN A HE22 15 ATOM 22313 N N . ARG A 1 65 ? 4.772 10.683 3.412 1.00 0.00 ? 65 ARG A N 15 ATOM 22314 C CA . ARG A 1 65 ? 5.399 9.745 2.489 1.00 0.00 ? 65 ARG A CA 15 ATOM 22315 C C . ARG A 1 65 ? 6.121 8.636 3.249 1.00 0.00 ? 65 ARG A C 15 ATOM 22316 O O . ARG A 1 65 ? 5.976 7.455 2.931 1.00 0.00 ? 65 ARG A O 15 ATOM 22317 C CB . ARG A 1 65 ? 6.384 10.476 1.576 1.00 0.00 ? 65 ARG A CB 15 ATOM 22318 C CG . ARG A 1 65 ? 6.779 9.679 0.343 1.00 0.00 ? 65 ARG A CG 15 ATOM 22319 C CD . ARG A 1 65 ? 7.629 10.508 -0.607 1.00 0.00 ? 65 ARG A CD 15 ATOM 22320 N NE . ARG A 1 65 ? 8.873 10.951 0.016 1.00 0.00 ? 65 ARG A NE 15 ATOM 22321 C CZ . ARG A 1 65 ? 9.840 11.582 -0.640 1.00 0.00 ? 65 ARG A CZ 15 ATOM 22322 N NH1 . ARG A 1 65 ? 9.706 11.844 -1.933 1.00 0.00 ? 65 ARG A NH1 15 ATOM 22323 N NH2 . ARG A 1 65 ? 10.943 11.954 -0.003 1.00 0.00 ? 65 ARG A NH2 15 ATOM 22324 H H . ARG A 1 65 ? 5.156 11.578 3.518 1.00 0.00 ? 65 ARG A H 15 ATOM 22325 H HA . ARG A 1 65 ? 4.621 9.303 1.885 1.00 0.00 ? 65 ARG A HA 15 ATOM 22326 H HB2 . ARG A 1 65 ? 5.935 11.403 1.249 1.00 0.00 ? 65 ARG A HB2 15 ATOM 22327 H HB3 . ARG A 1 65 ? 7.280 10.698 2.136 1.00 0.00 ? 65 ARG A HB3 15 ATOM 22328 H HG2 . ARG A 1 65 ? 7.345 8.813 0.652 1.00 0.00 ? 65 ARG A HG2 15 ATOM 22329 H HG3 . ARG A 1 65 ? 5.884 9.363 -0.171 1.00 0.00 ? 65 ARG A HG3 15 ATOM 22330 H HD2 . ARG A 1 65 ? 7.866 9.908 -1.473 1.00 0.00 ? 65 ARG A HD2 15 ATOM 22331 H HD3 . ARG A 1 65 ? 7.062 11.374 -0.914 1.00 0.00 ? 65 ARG A HD3 15 ATOM 22332 H HE . ARG A 1 65 ? 8.993 10.767 0.971 1.00 0.00 ? 65 ARG A HE 15 ATOM 22333 H HH11 . ARG A 1 65 ? 8.876 11.566 -2.415 1.00 0.00 ? 65 ARG A HH11 15 ATOM 22334 H HH12 . ARG A 1 65 ? 10.435 12.321 -2.425 1.00 0.00 ? 65 ARG A HH12 15 ATOM 22335 H HH21 . ARG A 1 65 ? 11.047 11.758 0.971 1.00 0.00 ? 65 ARG A HH21 15 ATOM 22336 H HH22 . ARG A 1 65 ? 11.670 12.429 -0.498 1.00 0.00 ? 65 ARG A HH22 15 ATOM 22337 N N . ASP A 1 66 ? 6.899 9.024 4.253 1.00 0.00 ? 66 ASP A N 15 ATOM 22338 C CA . ASP A 1 66 ? 7.644 8.063 5.059 1.00 0.00 ? 66 ASP A CA 15 ATOM 22339 C C . ASP A 1 66 ? 6.825 6.796 5.288 1.00 0.00 ? 66 ASP A C 15 ATOM 22340 O O . ASP A 1 66 ? 7.158 5.729 4.773 1.00 0.00 ? 66 ASP A O 15 ATOM 22341 C CB . ASP A 1 66 ? 8.032 8.684 6.402 1.00 0.00 ? 66 ASP A CB 15 ATOM 22342 C CG . ASP A 1 66 ? 8.750 7.703 7.307 1.00 0.00 ? 66 ASP A CG 15 ATOM 22343 O OD1 . ASP A 1 66 ? 9.544 6.890 6.789 1.00 0.00 ? 66 ASP A OD1 15 ATOM 22344 O OD2 . ASP A 1 66 ? 8.518 7.747 8.534 1.00 0.00 ? 66 ASP A OD2 15 ATOM 22345 H H . ASP A 1 66 ? 6.975 9.980 4.458 1.00 0.00 ? 66 ASP A H 15 ATOM 22346 H HA . ASP A 1 66 ? 8.542 7.804 4.520 1.00 0.00 ? 66 ASP A HA 15 ATOM 22347 H HB2 . ASP A 1 66 ? 8.684 9.527 6.227 1.00 0.00 ? 66 ASP A HB2 15 ATOM 22348 H HB3 . ASP A 1 66 ? 7.139 9.023 6.906 1.00 0.00 ? 66 ASP A HB3 15 ATOM 22349 N N . SER A 1 67 ? 5.754 6.922 6.065 1.00 0.00 ? 67 SER A N 15 ATOM 22350 C CA . SER A 1 67 ? 4.891 5.786 6.366 1.00 0.00 ? 67 SER A CA 15 ATOM 22351 C C . SER A 1 67 ? 4.376 5.140 5.083 1.00 0.00 ? 67 SER A C 15 ATOM 22352 O O . SER A 1 67 ? 4.493 3.928 4.894 1.00 0.00 ? 67 SER A O 15 ATOM 22353 C CB . SER A 1 67 ? 3.713 6.230 7.235 1.00 0.00 ? 67 SER A CB 15 ATOM 22354 O OG . SER A 1 67 ? 2.979 7.268 6.608 1.00 0.00 ? 67 SER A OG 15 ATOM 22355 H H . SER A 1 67 ? 5.541 7.799 6.446 1.00 0.00 ? 67 SER A H 15 ATOM 22356 H HA . SER A 1 67 ? 5.476 5.060 6.911 1.00 0.00 ? 67 SER A HA 15 ATOM 22357 H HB2 . SER A 1 67 ? 3.055 5.390 7.401 1.00 0.00 ? 67 SER A HB2 15 ATOM 22358 H HB3 . SER A 1 67 ? 4.084 6.589 8.184 1.00 0.00 ? 67 SER A HB3 15 ATOM 22359 H HG . SER A 1 67 ? 3.375 8.115 6.824 1.00 0.00 ? 67 SER A HG 15 ATOM 22360 N N . HIS A 1 68 ? 3.805 5.957 4.204 1.00 0.00 ? 68 HIS A N 15 ATOM 22361 C CA . HIS A 1 68 ? 3.272 5.466 2.938 1.00 0.00 ? 68 HIS A CA 15 ATOM 22362 C C . HIS A 1 68 ? 4.222 4.454 2.305 1.00 0.00 ? 68 HIS A C 15 ATOM 22363 O O . HIS A 1 68 ? 3.797 3.572 1.559 1.00 0.00 ? 68 HIS A O 15 ATOM 22364 C CB . HIS A 1 68 ? 3.034 6.630 1.976 1.00 0.00 ? 68 HIS A CB 15 ATOM 22365 C CG . HIS A 1 68 ? 1.694 7.280 2.141 1.00 0.00 ? 68 HIS A CG 15 ATOM 22366 N ND1 . HIS A 1 68 ? 0.530 6.565 2.328 1.00 0.00 ? 68 HIS A ND1 15 ATOM 22367 C CD2 . HIS A 1 68 ? 1.339 8.585 2.150 1.00 0.00 ? 68 HIS A CD2 15 ATOM 22368 C CE1 . HIS A 1 68 ? -0.485 7.404 2.442 1.00 0.00 ? 68 HIS A CE1 15 ATOM 22369 N NE2 . HIS A 1 68 ? -0.021 8.636 2.338 1.00 0.00 ? 68 HIS A NE2 15 ATOM 22370 H H . HIS A 1 68 ? 3.742 6.912 4.411 1.00 0.00 ? 68 HIS A H 15 ATOM 22371 H HA . HIS A 1 68 ? 2.331 4.980 3.141 1.00 0.00 ? 68 HIS A HA 15 ATOM 22372 H HB2 . HIS A 1 68 ? 3.790 7.384 2.139 1.00 0.00 ? 68 HIS A HB2 15 ATOM 22373 H HB3 . HIS A 1 68 ? 3.105 6.270 0.959 1.00 0.00 ? 68 HIS A HB3 15 ATOM 22374 H HD1 . HIS A 1 68 ? 0.457 5.589 2.368 1.00 0.00 ? 68 HIS A HD1 15 ATOM 22375 H HD2 . HIS A 1 68 ? 2.000 9.432 2.031 1.00 0.00 ? 68 HIS A HD2 15 ATOM 22376 H HE1 . HIS A 1 68 ? -1.518 7.129 2.594 1.00 0.00 ? 68 HIS A HE1 15 ATOM 22377 H HE2 . HIS A 1 68 ? -0.572 9.445 2.302 1.00 0.00 ? 68 HIS A HE2 15 ATOM 22378 N N . MET A 1 69 ? 5.509 4.587 2.607 1.00 0.00 ? 69 MET A N 15 ATOM 22379 C CA . MET A 1 69 ? 6.518 3.683 2.068 1.00 0.00 ? 69 MET A CA 15 ATOM 22380 C C . MET A 1 69 ? 6.851 2.580 3.067 1.00 0.00 ? 69 MET A C 15 ATOM 22381 O O . MET A 1 69 ? 6.939 1.407 2.706 1.00 0.00 ? 69 MET A O 15 ATOM 22382 C CB . MET A 1 69 ? 7.787 4.459 1.705 1.00 0.00 ? 69 MET A CB 15 ATOM 22383 C CG . MET A 1 69 ? 7.734 5.101 0.328 1.00 0.00 ? 69 MET A CG 15 ATOM 22384 S SD . MET A 1 69 ? 7.657 3.886 -1.002 1.00 0.00 ? 69 MET A SD 15 ATOM 22385 C CE . MET A 1 69 ? 9.033 2.824 -0.571 1.00 0.00 ? 69 MET A CE 15 ATOM 22386 H H . MET A 1 69 ? 5.788 5.310 3.208 1.00 0.00 ? 69 MET A H 15 ATOM 22387 H HA . MET A 1 69 ? 6.115 3.233 1.173 1.00 0.00 ? 69 MET A HA 15 ATOM 22388 H HB2 . MET A 1 69 ? 7.939 5.238 2.437 1.00 0.00 ? 69 MET A HB2 15 ATOM 22389 H HB3 . MET A 1 69 ? 8.628 3.782 1.731 1.00 0.00 ? 69 MET A HB3 15 ATOM 22390 H HG2 . MET A 1 69 ? 6.859 5.730 0.272 1.00 0.00 ? 69 MET A HG2 15 ATOM 22391 H HG3 . MET A 1 69 ? 8.619 5.705 0.195 1.00 0.00 ? 69 MET A HG3 15 ATOM 22392 H HE1 . MET A 1 69 ? 9.180 2.090 -1.350 1.00 0.00 ? 69 MET A HE1 15 ATOM 22393 H HE2 . MET A 1 69 ? 9.927 3.419 -0.463 1.00 0.00 ? 69 MET A HE2 15 ATOM 22394 H HE3 . MET A 1 69 ? 8.820 2.321 0.362 1.00 0.00 ? 69 MET A HE3 15 ATOM 22395 N N . LYS A 1 70 ? 7.034 2.965 4.326 1.00 0.00 ? 70 LYS A N 15 ATOM 22396 C CA . LYS A 1 70 ? 7.356 2.009 5.379 1.00 0.00 ? 70 LYS A CA 15 ATOM 22397 C C . LYS A 1 70 ? 6.473 0.769 5.277 1.00 0.00 ? 70 LYS A C 15 ATOM 22398 O O . LYS A 1 70 ? 6.928 -0.348 5.518 1.00 0.00 ? 70 LYS A O 15 ATOM 22399 C CB . LYS A 1 70 ? 7.186 2.658 6.755 1.00 0.00 ? 70 LYS A CB 15 ATOM 22400 C CG . LYS A 1 70 ? 5.812 2.440 7.364 1.00 0.00 ? 70 LYS A CG 15 ATOM 22401 C CD . LYS A 1 70 ? 5.737 2.987 8.780 1.00 0.00 ? 70 LYS A CD 15 ATOM 22402 C CE . LYS A 1 70 ? 6.371 2.033 9.780 1.00 0.00 ? 70 LYS A CE 15 ATOM 22403 N NZ . LYS A 1 70 ? 6.557 2.670 11.113 1.00 0.00 ? 70 LYS A NZ 15 ATOM 22404 H H . LYS A 1 70 ? 6.950 3.915 4.553 1.00 0.00 ? 70 LYS A H 15 ATOM 22405 H HA . LYS A 1 70 ? 8.387 1.713 5.255 1.00 0.00 ? 70 LYS A HA 15 ATOM 22406 H HB2 . LYS A 1 70 ? 7.924 2.247 7.427 1.00 0.00 ? 70 LYS A HB2 15 ATOM 22407 H HB3 . LYS A 1 70 ? 7.350 3.722 6.660 1.00 0.00 ? 70 LYS A HB3 15 ATOM 22408 H HG2 . LYS A 1 70 ? 5.074 2.943 6.756 1.00 0.00 ? 70 LYS A HG2 15 ATOM 22409 H HG3 . LYS A 1 70 ? 5.601 1.381 7.385 1.00 0.00 ? 70 LYS A HG3 15 ATOM 22410 H HD2 . LYS A 1 70 ? 6.258 3.932 8.820 1.00 0.00 ? 70 LYS A HD2 15 ATOM 22411 H HD3 . LYS A 1 70 ? 4.699 3.135 9.045 1.00 0.00 ? 70 LYS A HD3 15 ATOM 22412 H HE2 . LYS A 1 70 ? 5.733 1.170 9.889 1.00 0.00 ? 70 LYS A HE2 15 ATOM 22413 H HE3 . LYS A 1 70 ? 7.334 1.723 9.401 1.00 0.00 ? 70 LYS A HE3 15 ATOM 22414 H HZ1 . LYS A 1 70 ? 7.476 3.157 11.151 1.00 0.00 ? 70 LYS A HZ1 15 ATOM 22415 H HZ2 . LYS A 1 70 ? 6.529 1.948 11.861 1.00 0.00 ? 70 LYS A HZ2 15 ATOM 22416 H HZ3 . LYS A 1 70 ? 5.802 3.363 11.286 1.00 0.00 ? 70 LYS A HZ3 15 ATOM 22417 N N . GLN A 1 71 ? 5.210 0.976 4.918 1.00 0.00 ? 71 GLN A N 15 ATOM 22418 C CA . GLN A 1 71 ? 4.264 -0.126 4.784 1.00 0.00 ? 71 GLN A CA 15 ATOM 22419 C C . GLN A 1 71 ? 4.568 -0.956 3.541 1.00 0.00 ? 71 GLN A C 15 ATOM 22420 O O . GLN A 1 71 ? 4.523 -2.186 3.577 1.00 0.00 ? 71 GLN A O 15 ATOM 22421 C CB . GLN A 1 71 ? 2.833 0.408 4.718 1.00 0.00 ? 71 GLN A CB 15 ATOM 22422 C CG . GLN A 1 71 ? 2.170 0.544 6.079 1.00 0.00 ? 71 GLN A CG 15 ATOM 22423 C CD . GLN A 1 71 ? 2.401 -0.665 6.964 1.00 0.00 ? 71 GLN A CD 15 ATOM 22424 O OE1 . GLN A 1 71 ? 2.041 -1.788 6.608 1.00 0.00 ? 71 GLN A OE1 15 ATOM 22425 N NE2 . GLN A 1 71 ? 3.006 -0.443 8.125 1.00 0.00 ? 71 GLN A NE2 15 ATOM 22426 H H . GLN A 1 71 ? 4.907 1.890 4.740 1.00 0.00 ? 71 GLN A H 15 ATOM 22427 H HA . GLN A 1 71 ? 4.364 -0.755 5.655 1.00 0.00 ? 71 GLN A HA 15 ATOM 22428 H HB2 . GLN A 1 71 ? 2.845 1.381 4.249 1.00 0.00 ? 71 GLN A HB2 15 ATOM 22429 H HB3 . GLN A 1 71 ? 2.238 -0.264 4.118 1.00 0.00 ? 71 GLN A HB3 15 ATOM 22430 H HG2 . GLN A 1 71 ? 2.571 1.415 6.576 1.00 0.00 ? 71 GLN A HG2 15 ATOM 22431 H HG3 . GLN A 1 71 ? 1.107 0.670 5.937 1.00 0.00 ? 71 GLN A HG3 15 ATOM 22432 H HE21 . GLN A 1 71 ? 3.264 0.478 8.343 1.00 0.00 ? 71 GLN A HE21 15 ATOM 22433 H HE22 . GLN A 1 71 ? 3.167 -1.206 8.717 1.00 0.00 ? 71 GLN A HE22 15 ATOM 22434 N N . LEU A 1 72 ? 4.877 -0.275 2.443 1.00 0.00 ? 72 LEU A N 15 ATOM 22435 C CA . LEU A 1 72 ? 5.189 -0.950 1.188 1.00 0.00 ? 72 LEU A CA 15 ATOM 22436 C C . LEU A 1 72 ? 6.322 -1.953 1.375 1.00 0.00 ? 72 LEU A C 15 ATOM 22437 O O . LEU A 1 72 ? 6.139 -3.156 1.183 1.00 0.00 ? 72 LEU A O 15 ATOM 22438 C CB . LEU A 1 72 ? 5.570 0.074 0.117 1.00 0.00 ? 72 LEU A CB 15 ATOM 22439 C CG . LEU A 1 72 ? 6.160 -0.494 -1.175 1.00 0.00 ? 72 LEU A CG 15 ATOM 22440 C CD1 . LEU A 1 72 ? 5.344 -1.684 -1.656 1.00 0.00 ? 72 LEU A CD1 15 ATOM 22441 C CD2 . LEU A 1 72 ? 6.224 0.581 -2.250 1.00 0.00 ? 72 LEU A CD2 15 ATOM 22442 H H . LEU A 1 72 ? 4.897 0.704 2.476 1.00 0.00 ? 72 LEU A H 15 ATOM 22443 H HA . LEU A 1 72 ? 4.304 -1.480 0.868 1.00 0.00 ? 72 LEU A HA 15 ATOM 22444 H HB2 . LEU A 1 72 ? 4.682 0.629 -0.142 1.00 0.00 ? 72 LEU A HB2 15 ATOM 22445 H HB3 . LEU A 1 72 ? 6.299 0.746 0.548 1.00 0.00 ? 72 LEU A HB3 15 ATOM 22446 H HG . LEU A 1 72 ? 7.168 -0.836 -0.983 1.00 0.00 ? 72 LEU A HG 15 ATOM 22447 H HD11 . LEU A 1 72 ? 5.813 -2.111 -2.529 1.00 0.00 ? 72 LEU A HD11 15 ATOM 22448 H HD12 . LEU A 1 72 ? 4.346 -1.358 -1.906 1.00 0.00 ? 72 LEU A HD12 15 ATOM 22449 H HD13 . LEU A 1 72 ? 5.294 -2.426 -0.873 1.00 0.00 ? 72 LEU A HD13 15 ATOM 22450 H HD21 . LEU A 1 72 ? 6.939 1.338 -1.960 1.00 0.00 ? 72 LEU A HD21 15 ATOM 22451 H HD22 . LEU A 1 72 ? 5.249 1.033 -2.365 1.00 0.00 ? 72 LEU A HD22 15 ATOM 22452 H HD23 . LEU A 1 72 ? 6.528 0.137 -3.185 1.00 0.00 ? 72 LEU A HD23 15 ATOM 22453 N N . LEU A 1 73 ? 7.493 -1.452 1.753 1.00 0.00 ? 73 LEU A N 15 ATOM 22454 C CA . LEU A 1 73 ? 8.656 -2.304 1.969 1.00 0.00 ? 73 LEU A CA 15 ATOM 22455 C C . LEU A 1 73 ? 8.292 -3.517 2.820 1.00 0.00 ? 73 LEU A C 15 ATOM 22456 O O . LEU A 1 73 ? 8.869 -4.594 2.664 1.00 0.00 ? 73 LEU A O 15 ATOM 22457 C CB . LEU A 1 73 ? 9.776 -1.511 2.644 1.00 0.00 ? 73 LEU A CB 15 ATOM 22458 C CG . LEU A 1 73 ? 10.018 -0.100 2.106 1.00 0.00 ? 73 LEU A CG 15 ATOM 22459 C CD1 . LEU A 1 73 ? 11.228 0.528 2.779 1.00 0.00 ? 73 LEU A CD1 15 ATOM 22460 C CD2 . LEU A 1 73 ? 10.202 -0.130 0.596 1.00 0.00 ? 73 LEU A CD2 15 ATOM 22461 H H . LEU A 1 73 ? 7.577 -0.486 1.891 1.00 0.00 ? 73 LEU A H 15 ATOM 22462 H HA . LEU A 1 73 ? 9.000 -2.647 1.005 1.00 0.00 ? 73 LEU A HA 15 ATOM 22463 H HB2 . LEU A 1 73 ? 9.536 -1.427 3.693 1.00 0.00 ? 73 LEU A HB2 15 ATOM 22464 H HB3 . LEU A 1 73 ? 10.693 -2.071 2.530 1.00 0.00 ? 73 LEU A HB3 15 ATOM 22465 H HG . LEU A 1 73 ? 9.157 0.515 2.327 1.00 0.00 ? 73 LEU A HG 15 ATOM 22466 H HD11 . LEU A 1 73 ? 11.359 0.096 3.760 1.00 0.00 ? 73 LEU A HD11 15 ATOM 22467 H HD12 . LEU A 1 73 ? 11.076 1.593 2.873 1.00 0.00 ? 73 LEU A HD12 15 ATOM 22468 H HD13 . LEU A 1 73 ? 12.109 0.342 2.183 1.00 0.00 ? 73 LEU A HD13 15 ATOM 22469 H HD21 . LEU A 1 73 ? 10.290 0.880 0.224 1.00 0.00 ? 73 LEU A HD21 15 ATOM 22470 H HD22 . LEU A 1 73 ? 9.347 -0.608 0.139 1.00 0.00 ? 73 LEU A HD22 15 ATOM 22471 H HD23 . LEU A 1 73 ? 11.097 -0.683 0.353 1.00 0.00 ? 73 LEU A HD23 15 ATOM 22472 N N . LEU A 1 74 ? 7.332 -3.335 3.719 1.00 0.00 ? 74 LEU A N 15 ATOM 22473 C CA . LEU A 1 74 ? 6.888 -4.415 4.594 1.00 0.00 ? 74 LEU A CA 15 ATOM 22474 C C . LEU A 1 74 ? 6.080 -5.449 3.817 1.00 0.00 ? 74 LEU A C 15 ATOM 22475 O O . LEU A 1 74 ? 6.516 -6.586 3.639 1.00 0.00 ? 74 LEU A O 15 ATOM 22476 C CB . LEU A 1 74 ? 6.050 -3.854 5.744 1.00 0.00 ? 74 LEU A CB 15 ATOM 22477 C CG . LEU A 1 74 ? 6.825 -3.403 6.983 1.00 0.00 ? 74 LEU A CG 15 ATOM 22478 C CD1 . LEU A 1 74 ? 5.927 -2.599 7.910 1.00 0.00 ? 74 LEU A CD1 15 ATOM 22479 C CD2 . LEU A 1 74 ? 7.410 -4.604 7.712 1.00 0.00 ? 74 LEU A CD2 15 ATOM 22480 H H . LEU A 1 74 ? 6.910 -2.454 3.797 1.00 0.00 ? 74 LEU A H 15 ATOM 22481 H HA . LEU A 1 74 ? 7.767 -4.894 5.000 1.00 0.00 ? 74 LEU A HA 15 ATOM 22482 H HB2 . LEU A 1 74 ? 5.501 -3.004 5.369 1.00 0.00 ? 74 LEU A HB2 15 ATOM 22483 H HB3 . LEU A 1 74 ? 5.354 -4.623 6.050 1.00 0.00 ? 74 LEU A HB3 15 ATOM 22484 H HG . LEU A 1 74 ? 7.643 -2.766 6.675 1.00 0.00 ? 74 LEU A HG 15 ATOM 22485 H HD11 . LEU A 1 74 ? 6.369 -2.561 8.894 1.00 0.00 ? 74 LEU A HD11 15 ATOM 22486 H HD12 . LEU A 1 74 ? 4.957 -3.069 7.969 1.00 0.00 ? 74 LEU A HD12 15 ATOM 22487 H HD13 . LEU A 1 74 ? 5.818 -1.596 7.524 1.00 0.00 ? 74 LEU A HD13 15 ATOM 22488 H HD21 . LEU A 1 74 ? 6.610 -5.183 8.149 1.00 0.00 ? 74 LEU A HD21 15 ATOM 22489 H HD22 . LEU A 1 74 ? 8.075 -4.262 8.492 1.00 0.00 ? 74 LEU A HD22 15 ATOM 22490 H HD23 . LEU A 1 74 ? 7.959 -5.217 7.013 1.00 0.00 ? 74 LEU A HD23 15 ATOM 22491 N N . ILE A 1 75 ? 4.902 -5.044 3.354 1.00 0.00 ? 75 ILE A N 15 ATOM 22492 C CA . ILE A 1 75 ? 4.034 -5.935 2.593 1.00 0.00 ? 75 ILE A CA 15 ATOM 22493 C C . ILE A 1 75 ? 4.838 -6.774 1.606 1.00 0.00 ? 75 ILE A C 15 ATOM 22494 O O . ILE A 1 75 ? 4.442 -7.885 1.254 1.00 0.00 ? 75 ILE A O 15 ATOM 22495 C CB . ILE A 1 75 ? 2.957 -5.148 1.823 1.00 0.00 ? 75 ILE A CB 15 ATOM 22496 C CG1 . ILE A 1 75 ? 2.081 -4.355 2.795 1.00 0.00 ? 75 ILE A CG1 15 ATOM 22497 C CG2 . ILE A 1 75 ? 2.108 -6.094 0.986 1.00 0.00 ? 75 ILE A CG2 15 ATOM 22498 C CD1 . ILE A 1 75 ? 1.179 -3.350 2.113 1.00 0.00 ? 75 ILE A CD1 15 ATOM 22499 H H . ILE A 1 75 ? 4.609 -4.126 3.528 1.00 0.00 ? 75 ILE A H 15 ATOM 22500 H HA . ILE A 1 75 ? 3.540 -6.595 3.291 1.00 0.00 ? 75 ILE A HA 15 ATOM 22501 H HB . ILE A 1 75 ? 3.453 -4.462 1.154 1.00 0.00 ? 75 ILE A HB 15 ATOM 22502 H HG12 . ILE A 1 75 ? 1.456 -5.040 3.347 1.00 0.00 ? 75 ILE A HG12 15 ATOM 22503 H HG13 . ILE A 1 75 ? 2.716 -3.818 3.484 1.00 0.00 ? 75 ILE A HG13 15 ATOM 22504 H HG21 . ILE A 1 75 ? 2.365 -5.980 -0.057 1.00 0.00 ? 75 ILE A HG21 15 ATOM 22505 H HG22 . ILE A 1 75 ? 2.295 -7.112 1.293 1.00 0.00 ? 75 ILE A HG22 15 ATOM 22506 H HG23 . ILE A 1 75 ? 1.063 -5.860 1.127 1.00 0.00 ? 75 ILE A HG23 15 ATOM 22507 H HD11 . ILE A 1 75 ? 0.296 -3.850 1.745 1.00 0.00 ? 75 ILE A HD11 15 ATOM 22508 H HD12 . ILE A 1 75 ? 0.894 -2.585 2.819 1.00 0.00 ? 75 ILE A HD12 15 ATOM 22509 H HD13 . ILE A 1 75 ? 1.707 -2.897 1.285 1.00 0.00 ? 75 ILE A HD13 15 ATOM 22510 N N . GLN A 1 76 ? 5.971 -6.235 1.164 1.00 0.00 ? 76 GLN A N 15 ATOM 22511 C CA . GLN A 1 76 ? 6.831 -6.935 0.218 1.00 0.00 ? 76 GLN A CA 15 ATOM 22512 C C . GLN A 1 76 ? 7.433 -8.185 0.852 1.00 0.00 ? 76 GLN A C 15 ATOM 22513 O O . GLN A 1 76 ? 7.120 -9.306 0.453 1.00 0.00 ? 76 GLN A O 15 ATOM 22514 C CB . GLN A 1 76 ? 7.946 -6.010 -0.271 1.00 0.00 ? 76 GLN A CB 15 ATOM 22515 C CG . GLN A 1 76 ? 7.526 -5.103 -1.416 1.00 0.00 ? 76 GLN A CG 15 ATOM 22516 C CD . GLN A 1 76 ? 8.702 -4.402 -2.068 1.00 0.00 ? 76 GLN A CD 15 ATOM 22517 O OE1 . GLN A 1 76 ? 9.417 -4.990 -2.880 1.00 0.00 ? 76 GLN A OE1 15 ATOM 22518 N NE2 . GLN A 1 76 ? 8.908 -3.139 -1.714 1.00 0.00 ? 76 GLN A NE2 15 ATOM 22519 H H . GLN A 1 76 ? 6.233 -5.347 1.482 1.00 0.00 ? 76 GLN A H 15 ATOM 22520 H HA . GLN A 1 76 ? 6.225 -7.231 -0.625 1.00 0.00 ? 76 GLN A HA 15 ATOM 22521 H HB2 . GLN A 1 76 ? 8.270 -5.389 0.552 1.00 0.00 ? 76 GLN A HB2 15 ATOM 22522 H HB3 . GLN A 1 76 ? 8.778 -6.613 -0.605 1.00 0.00 ? 76 GLN A HB3 15 ATOM 22523 H HG2 . GLN A 1 76 ? 7.022 -5.698 -2.163 1.00 0.00 ? 76 GLN A HG2 15 ATOM 22524 H HG3 . GLN A 1 76 ? 6.846 -4.355 -1.035 1.00 0.00 ? 76 GLN A HG3 15 ATOM 22525 H HE21 . GLN A 1 76 ? 8.299 -2.736 -1.060 1.00 0.00 ? 76 GLN A HE21 15 ATOM 22526 H HE22 . GLN A 1 76 ? 9.662 -2.662 -2.119 1.00 0.00 ? 76 GLN A HE22 15 ATOM 22527 N N . GLU A 1 77 ? 8.298 -7.984 1.841 1.00 0.00 ? 77 GLU A N 15 ATOM 22528 C CA . GLU A 1 77 ? 8.944 -9.096 2.529 1.00 0.00 ? 77 GLU A CA 15 ATOM 22529 C C . GLU A 1 77 ? 7.907 -10.052 3.111 1.00 0.00 ? 77 GLU A C 15 ATOM 22530 O O . GLU A 1 77 ? 8.149 -11.254 3.222 1.00 0.00 ? 77 GLU A O 15 ATOM 22531 C CB . GLU A 1 77 ? 9.856 -8.575 3.642 1.00 0.00 ? 77 GLU A CB 15 ATOM 22532 C CG . GLU A 1 77 ? 9.295 -7.367 4.373 1.00 0.00 ? 77 GLU A CG 15 ATOM 22533 C CD . GLU A 1 77 ? 10.020 -7.085 5.675 1.00 0.00 ? 77 GLU A CD 15 ATOM 22534 O OE1 . GLU A 1 77 ? 9.711 -7.756 6.682 1.00 0.00 ? 77 GLU A OE1 15 ATOM 22535 O OE2 . GLU A 1 77 ? 10.894 -6.194 5.687 1.00 0.00 ? 77 GLU A OE2 15 ATOM 22536 H H . GLU A 1 77 ? 8.507 -7.066 2.114 1.00 0.00 ? 77 GLU A H 15 ATOM 22537 H HA . GLU A 1 77 ? 9.542 -9.629 1.806 1.00 0.00 ? 77 GLU A HA 15 ATOM 22538 H HB2 . GLU A 1 77 ? 10.012 -9.365 4.361 1.00 0.00 ? 77 GLU A HB2 15 ATOM 22539 H HB3 . GLU A 1 77 ? 10.807 -8.300 3.211 1.00 0.00 ? 77 GLU A HB3 15 ATOM 22540 H HG2 . GLU A 1 77 ? 9.386 -6.501 3.734 1.00 0.00 ? 77 GLU A HG2 15 ATOM 22541 H HG3 . GLU A 1 77 ? 8.252 -7.545 4.589 1.00 0.00 ? 77 GLU A HG3 15 ATOM 22542 N N . ARG A 1 78 ? 6.752 -9.508 3.481 1.00 0.00 ? 78 ARG A N 15 ATOM 22543 C CA . ARG A 1 78 ? 5.679 -10.312 4.054 1.00 0.00 ? 78 ARG A CA 15 ATOM 22544 C C . ARG A 1 78 ? 5.061 -11.226 2.999 1.00 0.00 ? 78 ARG A C 15 ATOM 22545 O O . ARG A 1 78 ? 4.525 -12.286 3.319 1.00 0.00 ? 78 ARG A O 15 ATOM 22546 C CB . ARG A 1 78 ? 4.601 -9.408 4.654 1.00 0.00 ? 78 ARG A CB 15 ATOM 22547 C CG . ARG A 1 78 ? 5.055 -8.662 5.898 1.00 0.00 ? 78 ARG A CG 15 ATOM 22548 C CD . ARG A 1 78 ? 5.226 -9.603 7.080 1.00 0.00 ? 78 ARG A CD 15 ATOM 22549 N NE . ARG A 1 78 ? 5.121 -8.903 8.358 1.00 0.00 ? 78 ARG A NE 15 ATOM 22550 C CZ . ARG A 1 78 ? 5.456 -9.445 9.523 1.00 0.00 ? 78 ARG A CZ 15 ATOM 22551 N NH1 . ARG A 1 78 ? 5.917 -10.687 9.572 1.00 0.00 ? 78 ARG A NH1 15 ATOM 22552 N NH2 . ARG A 1 78 ? 5.332 -8.744 10.643 1.00 0.00 ? 78 ARG A NH2 15 ATOM 22553 H H . ARG A 1 78 ? 6.619 -8.544 3.368 1.00 0.00 ? 78 ARG A H 15 ATOM 22554 H HA . ARG A 1 78 ? 6.102 -10.922 4.838 1.00 0.00 ? 78 ARG A HA 15 ATOM 22555 H HB2 . ARG A 1 78 ? 4.304 -8.680 3.914 1.00 0.00 ? 78 ARG A HB2 15 ATOM 22556 H HB3 . ARG A 1 78 ? 3.745 -10.013 4.916 1.00 0.00 ? 78 ARG A HB3 15 ATOM 22557 H HG2 . ARG A 1 78 ? 6.001 -8.183 5.694 1.00 0.00 ? 78 ARG A HG2 15 ATOM 22558 H HG3 . ARG A 1 78 ? 4.317 -7.915 6.148 1.00 0.00 ? 78 ARG A HG3 15 ATOM 22559 H HD2 . ARG A 1 78 ? 4.460 -10.363 7.033 1.00 0.00 ? 78 ARG A HD2 15 ATOM 22560 H HD3 . ARG A 1 78 ? 6.198 -10.069 7.015 1.00 0.00 ? 78 ARG A HD3 15 ATOM 22561 H HE . ARG A 1 78 ? 4.782 -7.984 8.344 1.00 0.00 ? 78 ARG A HE 15 ATOM 22562 H HH11 . ARG A 1 78 ? 6.013 -11.217 8.730 1.00 0.00 ? 78 ARG A HH11 15 ATOM 22563 H HH12 . ARG A 1 78 ? 6.170 -11.093 10.451 1.00 0.00 ? 78 ARG A HH12 15 ATOM 22564 H HH21 . ARG A 1 78 ? 4.985 -7.807 10.610 1.00 0.00 ? 78 ARG A HH21 15 ATOM 22565 H HH22 . ARG A 1 78 ? 5.584 -9.152 11.519 1.00 0.00 ? 78 ARG A HH22 15 ATOM 22566 N N . TRP A 1 79 ? 5.142 -10.807 1.741 1.00 0.00 ? 79 TRP A N 15 ATOM 22567 C CA . TRP A 1 79 ? 4.590 -11.587 0.639 1.00 0.00 ? 79 TRP A CA 15 ATOM 22568 C C . TRP A 1 79 ? 5.526 -12.730 0.260 1.00 0.00 ? 79 TRP A C 15 ATOM 22569 O O . TRP A 1 79 ? 5.095 -13.872 0.103 1.00 0.00 ? 79 TRP A O 15 ATOM 22570 C CB . TRP A 1 79 ? 4.343 -10.690 -0.575 1.00 0.00 ? 79 TRP A CB 15 ATOM 22571 C CG . TRP A 1 79 ? 3.670 -11.399 -1.711 1.00 0.00 ? 79 TRP A CG 15 ATOM 22572 C CD1 . TRP A 1 79 ? 2.835 -12.477 -1.625 1.00 0.00 ? 79 TRP A CD1 15 ATOM 22573 C CD2 . TRP A 1 79 ? 3.778 -11.082 -3.103 1.00 0.00 ? 79 TRP A CD2 15 ATOM 22574 N NE1 . TRP A 1 79 ? 2.417 -12.849 -2.880 1.00 0.00 ? 79 TRP A NE1 15 ATOM 22575 C CE2 . TRP A 1 79 ? 2.981 -12.009 -3.803 1.00 0.00 ? 79 TRP A CE2 15 ATOM 22576 C CE3 . TRP A 1 79 ? 4.468 -10.106 -3.825 1.00 0.00 ? 79 TRP A CE3 15 ATOM 22577 C CZ2 . TRP A 1 79 ? 2.857 -11.985 -5.190 1.00 0.00 ? 79 TRP A CZ2 15 ATOM 22578 C CZ3 . TRP A 1 79 ? 4.345 -10.084 -5.202 1.00 0.00 ? 79 TRP A CZ3 15 ATOM 22579 C CH2 . TRP A 1 79 ? 3.544 -11.018 -5.872 1.00 0.00 ? 79 TRP A CH2 15 ATOM 22580 H H . TRP A 1 79 ? 5.582 -9.952 1.549 1.00 0.00 ? 79 TRP A H 15 ATOM 22581 H HA . TRP A 1 79 ? 3.648 -12.002 0.967 1.00 0.00 ? 79 TRP A HA 15 ATOM 22582 H HB2 . TRP A 1 79 ? 3.715 -9.862 -0.281 1.00 0.00 ? 79 TRP A HB2 15 ATOM 22583 H HB3 . TRP A 1 79 ? 5.290 -10.310 -0.931 1.00 0.00 ? 79 TRP A HB3 15 ATOM 22584 H HD1 . TRP A 1 79 ? 2.556 -12.957 -0.699 1.00 0.00 ? 79 TRP A HD1 15 ATOM 22585 H HE1 . TRP A 1 79 ? 1.812 -13.594 -3.080 1.00 0.00 ? 79 TRP A HE1 15 ATOM 22586 H HE3 . TRP A 1 79 ? 5.089 -9.377 -3.326 1.00 0.00 ? 79 TRP A HE3 15 ATOM 22587 H HZ2 . TRP A 1 79 ? 2.244 -12.698 -5.722 1.00 0.00 ? 79 TRP A HZ2 15 ATOM 22588 H HZ3 . TRP A 1 79 ? 4.871 -9.336 -5.777 1.00 0.00 ? 79 TRP A HZ3 15 ATOM 22589 H HH2 . TRP A 1 79 ? 3.478 -10.964 -6.948 1.00 0.00 ? 79 TRP A HH2 15 ATOM 22590 N N . LYS A 1 80 ? 6.808 -12.415 0.114 1.00 0.00 ? 80 LYS A N 15 ATOM 22591 C CA . LYS A 1 80 ? 7.806 -13.415 -0.246 1.00 0.00 ? 80 LYS A CA 15 ATOM 22592 C C . LYS A 1 80 ? 7.591 -14.705 0.539 1.00 0.00 ? 80 LYS A C 15 ATOM 22593 O O . LYS A 1 80 ? 7.586 -15.796 -0.031 1.00 0.00 ? 80 LYS A O 15 ATOM 22594 C CB . LYS A 1 80 ? 9.215 -12.877 0.014 1.00 0.00 ? 80 LYS A CB 15 ATOM 22595 C CG . LYS A 1 80 ? 9.506 -11.567 -0.697 1.00 0.00 ? 80 LYS A CG 15 ATOM 22596 C CD . LYS A 1 80 ? 10.862 -11.007 -0.302 1.00 0.00 ? 80 LYS A CD 15 ATOM 22597 C CE . LYS A 1 80 ? 11.122 -9.660 -0.959 1.00 0.00 ? 80 LYS A CE 15 ATOM 22598 N NZ . LYS A 1 80 ? 9.866 -8.881 -1.143 1.00 0.00 ? 80 LYS A NZ 15 ATOM 22599 H H . LYS A 1 80 ? 7.091 -11.486 0.252 1.00 0.00 ? 80 LYS A H 15 ATOM 22600 H HA . LYS A 1 80 ? 7.699 -13.627 -1.299 1.00 0.00 ? 80 LYS A HA 15 ATOM 22601 H HB2 . LYS A 1 80 ? 9.338 -12.721 1.076 1.00 0.00 ? 80 LYS A HB2 15 ATOM 22602 H HB3 . LYS A 1 80 ? 9.935 -13.611 -0.319 1.00 0.00 ? 80 LYS A HB3 15 ATOM 22603 H HG2 . LYS A 1 80 ? 9.496 -11.736 -1.764 1.00 0.00 ? 80 LYS A HG2 15 ATOM 22604 H HG3 . LYS A 1 80 ? 8.741 -10.849 -0.438 1.00 0.00 ? 80 LYS A HG3 15 ATOM 22605 H HD2 . LYS A 1 80 ? 10.893 -10.884 0.770 1.00 0.00 ? 80 LYS A HD2 15 ATOM 22606 H HD3 . LYS A 1 80 ? 11.632 -11.702 -0.608 1.00 0.00 ? 80 LYS A HD3 15 ATOM 22607 H HE2 . LYS A 1 80 ? 11.798 -9.095 -0.335 1.00 0.00 ? 80 LYS A HE2 15 ATOM 22608 H HE3 . LYS A 1 80 ? 11.577 -9.827 -1.924 1.00 0.00 ? 80 LYS A HE3 15 ATOM 22609 H HZ1 . LYS A 1 80 ? 10.090 -7.885 -1.343 1.00 0.00 ? 80 LYS A HZ1 15 ATOM 22610 H HZ2 . LYS A 1 80 ? 9.287 -8.928 -0.281 1.00 0.00 ? 80 LYS A HZ2 15 ATOM 22611 H HZ3 . LYS A 1 80 ? 9.319 -9.269 -1.937 1.00 0.00 ? 80 LYS A HZ3 15 ATOM 22612 N N . ARG A 1 81 ? 7.412 -14.572 1.850 1.00 0.00 ? 81 ARG A N 15 ATOM 22613 C CA . ARG A 1 81 ? 7.196 -15.727 2.712 1.00 0.00 ? 81 ARG A CA 15 ATOM 22614 C C . ARG A 1 81 ? 5.858 -16.393 2.405 1.00 0.00 ? 81 ARG A C 15 ATOM 22615 O O . ARG A 1 81 ? 5.762 -17.618 2.344 1.00 0.00 ? 81 ARG A O 15 ATOM 22616 C CB . ARG A 1 81 ? 7.243 -15.308 4.183 1.00 0.00 ? 81 ARG A CB 15 ATOM 22617 C CG . ARG A 1 81 ? 8.532 -14.605 4.575 1.00 0.00 ? 81 ARG A CG 15 ATOM 22618 C CD . ARG A 1 81 ? 8.685 -14.523 6.086 1.00 0.00 ? 81 ARG A CD 15 ATOM 22619 N NE . ARG A 1 81 ? 8.846 -15.841 6.692 1.00 0.00 ? 81 ARG A NE 15 ATOM 22620 C CZ . ARG A 1 81 ? 8.968 -16.039 8.000 1.00 0.00 ? 81 ARG A CZ 15 ATOM 22621 N NH1 . ARG A 1 81 ? 8.946 -15.008 8.834 1.00 0.00 ? 81 ARG A NH1 15 ATOM 22622 N NH2 . ARG A 1 81 ? 9.111 -17.269 8.476 1.00 0.00 ? 81 ARG A NH2 15 ATOM 22623 H H . ARG A 1 81 ? 7.427 -13.676 2.246 1.00 0.00 ? 81 ARG A H 15 ATOM 22624 H HA . ARG A 1 81 ? 7.988 -16.436 2.524 1.00 0.00 ? 81 ARG A HA 15 ATOM 22625 H HB2 . ARG A 1 81 ? 6.419 -14.638 4.381 1.00 0.00 ? 81 ARG A HB2 15 ATOM 22626 H HB3 . ARG A 1 81 ? 7.137 -16.188 4.799 1.00 0.00 ? 81 ARG A HB3 15 ATOM 22627 H HG2 . ARG A 1 81 ? 9.369 -15.154 4.169 1.00 0.00 ? 81 ARG A HG2 15 ATOM 22628 H HG3 . ARG A 1 81 ? 8.524 -13.605 4.167 1.00 0.00 ? 81 ARG A HG3 15 ATOM 22629 H HD2 . ARG A 1 81 ? 9.553 -13.923 6.314 1.00 0.00 ? 81 ARG A HD2 15 ATOM 22630 H HD3 . ARG A 1 81 ? 7.805 -14.052 6.498 1.00 0.00 ? 81 ARG A HD3 15 ATOM 22631 H HE . ARG A 1 81 ? 8.865 -16.617 6.094 1.00 0.00 ? 81 ARG A HE 15 ATOM 22632 H HH11 . ARG A 1 81 ? 8.837 -14.080 8.478 1.00 0.00 ? 81 ARG A HH11 15 ATOM 22633 H HH12 . ARG A 1 81 ? 9.037 -15.160 9.819 1.00 0.00 ? 81 ARG A HH12 15 ATOM 22634 H HH21 . ARG A 1 81 ? 9.128 -18.048 7.850 1.00 0.00 ? 81 ARG A HH21 15 ATOM 22635 H HH22 . ARG A 1 81 ? 9.203 -17.417 9.460 1.00 0.00 ? 81 ARG A HH22 15 ATOM 22636 N N . ALA A 1 82 ? 4.827 -15.576 2.212 1.00 0.00 ? 82 ALA A N 15 ATOM 22637 C CA . ALA A 1 82 ? 3.495 -16.085 1.909 1.00 0.00 ? 82 ALA A CA 15 ATOM 22638 C C . ALA A 1 82 ? 3.518 -16.984 0.678 1.00 0.00 ? 82 ALA A C 15 ATOM 22639 O O . ALA A 1 82 ? 2.696 -17.892 0.543 1.00 0.00 ? 82 ALA A O 15 ATOM 22640 C CB . ALA A 1 82 ? 2.523 -14.932 1.705 1.00 0.00 ? 82 ALA A CB 15 ATOM 22641 H H . ALA A 1 82 ? 4.966 -14.608 2.274 1.00 0.00 ? 82 ALA A H 15 ATOM 22642 H HA . ALA A 1 82 ? 3.158 -16.663 2.758 1.00 0.00 ? 82 ALA A HA 15 ATOM 22643 H HB1 . ALA A 1 82 ? 1.510 -15.304 1.759 1.00 0.00 ? 82 ALA A HB1 15 ATOM 22644 H HB2 . ALA A 1 82 ? 2.677 -14.192 2.476 1.00 0.00 ? 82 ALA A HB2 15 ATOM 22645 H HB3 . ALA A 1 82 ? 2.693 -14.486 0.737 1.00 0.00 ? 82 ALA A HB3 15 ATOM 22646 N N . LYS A 1 83 ? 4.463 -16.727 -0.220 1.00 0.00 ? 83 LYS A N 15 ATOM 22647 C CA . LYS A 1 83 ? 4.594 -17.513 -1.441 1.00 0.00 ? 83 LYS A CA 15 ATOM 22648 C C . LYS A 1 83 ? 4.841 -18.983 -1.117 1.00 0.00 ? 83 LYS A C 15 ATOM 22649 O O . LYS A 1 83 ? 4.228 -19.870 -1.712 1.00 0.00 ? 83 LYS A O 15 ATOM 22650 C CB . LYS A 1 83 ? 5.738 -16.970 -2.301 1.00 0.00 ? 83 LYS A CB 15 ATOM 22651 C CG . LYS A 1 83 ? 5.604 -15.494 -2.629 1.00 0.00 ? 83 LYS A CG 15 ATOM 22652 C CD . LYS A 1 83 ? 4.746 -15.272 -3.864 1.00 0.00 ? 83 LYS A CD 15 ATOM 22653 C CE . LYS A 1 83 ? 5.582 -15.295 -5.135 1.00 0.00 ? 83 LYS A CE 15 ATOM 22654 N NZ . LYS A 1 83 ? 5.790 -16.681 -5.637 1.00 0.00 ? 83 LYS A NZ 15 ATOM 22655 H H . LYS A 1 83 ? 5.089 -15.990 -0.056 1.00 0.00 ? 83 LYS A H 15 ATOM 22656 H HA . LYS A 1 83 ? 3.670 -17.428 -1.991 1.00 0.00 ? 83 LYS A HA 15 ATOM 22657 H HB2 . LYS A 1 83 ? 6.669 -17.118 -1.774 1.00 0.00 ? 83 LYS A HB2 15 ATOM 22658 H HB3 . LYS A 1 83 ? 5.767 -17.523 -3.229 1.00 0.00 ? 83 LYS A HB3 15 ATOM 22659 H HG2 . LYS A 1 83 ? 5.147 -14.988 -1.792 1.00 0.00 ? 83 LYS A HG2 15 ATOM 22660 H HG3 . LYS A 1 83 ? 6.588 -15.083 -2.807 1.00 0.00 ? 83 LYS A HG3 15 ATOM 22661 H HD2 . LYS A 1 83 ? 4.004 -16.055 -3.921 1.00 0.00 ? 83 LYS A HD2 15 ATOM 22662 H HD3 . LYS A 1 83 ? 4.255 -14.313 -3.783 1.00 0.00 ? 83 LYS A HD3 15 ATOM 22663 H HE2 . LYS A 1 83 ? 5.076 -14.718 -5.893 1.00 0.00 ? 83 LYS A HE2 15 ATOM 22664 H HE3 . LYS A 1 83 ? 6.544 -14.849 -4.925 1.00 0.00 ? 83 LYS A HE3 15 ATOM 22665 H HZ1 . LYS A 1 83 ? 5.104 -17.327 -5.197 1.00 0.00 ? 83 LYS A HZ1 15 ATOM 22666 H HZ2 . LYS A 1 83 ? 6.751 -17.005 -5.405 1.00 0.00 ? 83 LYS A HZ2 15 ATOM 22667 H HZ3 . LYS A 1 83 ? 5.666 -16.710 -6.669 1.00 0.00 ? 83 LYS A HZ3 15 ATOM 22668 N N . ARG A 1 84 ? 5.740 -19.234 -0.171 1.00 0.00 ? 84 ARG A N 15 ATOM 22669 C CA . ARG A 1 84 ? 6.066 -20.597 0.231 1.00 0.00 ? 84 ARG A CA 15 ATOM 22670 C C . ARG A 1 84 ? 4.994 -21.162 1.157 1.00 0.00 ? 84 ARG A C 15 ATOM 22671 O O . ARG A 1 84 ? 4.708 -22.359 1.132 1.00 0.00 ? 84 ARG A O 15 ATOM 22672 C CB . ARG A 1 84 ? 7.428 -20.633 0.927 1.00 0.00 ? 84 ARG A CB 15 ATOM 22673 C CG . ARG A 1 84 ? 7.592 -19.569 2.000 1.00 0.00 ? 84 ARG A CG 15 ATOM 22674 C CD . ARG A 1 84 ? 8.871 -19.774 2.797 1.00 0.00 ? 84 ARG A CD 15 ATOM 22675 N NE . ARG A 1 84 ? 10.060 -19.434 2.020 1.00 0.00 ? 84 ARG A NE 15 ATOM 22676 C CZ . ARG A 1 84 ? 11.269 -19.294 2.551 1.00 0.00 ? 84 ARG A CZ 15 ATOM 22677 N NH1 . ARG A 1 84 ? 11.449 -19.463 3.854 1.00 0.00 ? 84 ARG A NH1 15 ATOM 22678 N NH2 . ARG A 1 84 ? 12.303 -18.984 1.779 1.00 0.00 ? 84 ARG A NH2 15 ATOM 22679 H H . ARG A 1 84 ? 6.195 -18.484 0.266 1.00 0.00 ? 84 ARG A H 15 ATOM 22680 H HA . ARG A 1 84 ? 6.112 -21.204 -0.661 1.00 0.00 ? 84 ARG A HA 15 ATOM 22681 H HB2 . ARG A 1 84 ? 7.557 -21.601 1.389 1.00 0.00 ? 84 ARG A HB2 15 ATOM 22682 H HB3 . ARG A 1 84 ? 8.201 -20.490 0.188 1.00 0.00 ? 84 ARG A HB3 15 ATOM 22683 H HG2 . ARG A 1 84 ? 7.626 -18.598 1.528 1.00 0.00 ? 84 ARG A HG2 15 ATOM 22684 H HG3 . ARG A 1 84 ? 6.748 -19.615 2.672 1.00 0.00 ? 84 ARG A HG3 15 ATOM 22685 H HD2 . ARG A 1 84 ? 8.836 -19.147 3.676 1.00 0.00 ? 84 ARG A HD2 15 ATOM 22686 H HD3 . ARG A 1 84 ? 8.931 -20.809 3.096 1.00 0.00 ? 84 ARG A HD3 15 ATOM 22687 H HE . ARG A 1 84 ? 9.950 -19.305 1.055 1.00 0.00 ? 84 ARG A HE 15 ATOM 22688 H HH11 . ARG A 1 84 ? 10.672 -19.698 4.438 1.00 0.00 ? 84 ARG A HH11 15 ATOM 22689 H HH12 . ARG A 1 84 ? 12.361 -19.358 4.251 1.00 0.00 ? 84 ARG A HH12 15 ATOM 22690 H HH21 . ARG A 1 84 ? 12.171 -18.856 0.796 1.00 0.00 ? 84 ARG A HH21 15 ATOM 22691 H HH22 . ARG A 1 84 ? 13.212 -18.879 2.179 1.00 0.00 ? 84 ARG A HH22 15 ATOM 22692 N N . GLU A 1 85 ? 4.405 -20.293 1.972 1.00 0.00 ? 85 GLU A N 15 ATOM 22693 C CA . GLU A 1 85 ? 3.365 -20.707 2.907 1.00 0.00 ? 85 GLU A CA 15 ATOM 22694 C C . GLU A 1 85 ? 2.122 -21.184 2.162 1.00 0.00 ? 85 GLU A C 15 ATOM 22695 O O . GLU A 1 85 ? 1.766 -22.360 2.218 1.00 0.00 ? 85 GLU A O 15 ATOM 22696 C CB . GLU A 1 85 ? 3.000 -19.552 3.842 1.00 0.00 ? 85 GLU A CB 15 ATOM 22697 C CG . GLU A 1 85 ? 4.182 -19.009 4.629 1.00 0.00 ? 85 GLU A CG 15 ATOM 22698 C CD . GLU A 1 85 ? 4.398 -19.743 5.938 1.00 0.00 ? 85 GLU A CD 15 ATOM 22699 O OE1 . GLU A 1 85 ? 3.588 -19.546 6.868 1.00 0.00 ? 85 GLU A OE1 15 ATOM 22700 O OE2 . GLU A 1 85 ? 5.376 -20.513 6.032 1.00 0.00 ? 85 GLU A OE2 15 ATOM 22701 H H . GLU A 1 85 ? 4.676 -19.352 1.945 1.00 0.00 ? 85 GLU A H 15 ATOM 22702 H HA . GLU A 1 85 ? 3.754 -21.525 3.495 1.00 0.00 ? 85 GLU A HA 15 ATOM 22703 H HB2 . GLU A 1 85 ? 2.584 -18.747 3.256 1.00 0.00 ? 85 GLU A HB2 15 ATOM 22704 H HB3 . GLU A 1 85 ? 2.255 -19.896 4.545 1.00 0.00 ? 85 GLU A HB3 15 ATOM 22705 H HG2 . GLU A 1 85 ? 5.073 -19.107 4.028 1.00 0.00 ? 85 GLU A HG2 15 ATOM 22706 H HG3 . GLU A 1 85 ? 4.006 -17.965 4.843 1.00 0.00 ? 85 GLU A HG3 15 ATOM 22707 N N . GLU A 1 86 ? 1.466 -20.261 1.464 1.00 0.00 ? 86 GLU A N 15 ATOM 22708 C CA . GLU A 1 86 ? 0.263 -20.588 0.709 1.00 0.00 ? 86 GLU A CA 15 ATOM 22709 C C . GLU A 1 86 ? 0.436 -21.900 -0.050 1.00 0.00 ? 86 GLU A C 15 ATOM 22710 O O . GLU A 1 86 ? -0.398 -22.801 0.048 1.00 0.00 ? 86 GLU A O 15 ATOM 22711 C CB . GLU A 1 86 ? -0.074 -19.461 -0.270 1.00 0.00 ? 86 GLU A CB 15 ATOM 22712 C CG . GLU A 1 86 ? -1.517 -19.476 -0.743 1.00 0.00 ? 86 GLU A CG 15 ATOM 22713 C CD . GLU A 1 86 ? -1.737 -18.615 -1.972 1.00 0.00 ? 86 GLU A CD 15 ATOM 22714 O OE1 . GLU A 1 86 ? -0.786 -18.463 -2.767 1.00 0.00 ? 86 GLU A OE1 15 ATOM 22715 O OE2 . GLU A 1 86 ? -2.860 -18.094 -2.139 1.00 0.00 ? 86 GLU A OE2 15 ATOM 22716 H H . GLU A 1 86 ? 1.800 -19.340 1.458 1.00 0.00 ? 86 GLU A H 15 ATOM 22717 H HA . GLU A 1 86 ? -0.550 -20.697 1.411 1.00 0.00 ? 86 GLU A HA 15 ATOM 22718 H HB2 . GLU A 1 86 ? 0.116 -18.513 0.213 1.00 0.00 ? 86 GLU A HB2 15 ATOM 22719 H HB3 . GLU A 1 86 ? 0.568 -19.548 -1.134 1.00 0.00 ? 86 GLU A HB3 15 ATOM 22720 H HG2 . GLU A 1 86 ? -1.794 -20.493 -0.981 1.00 0.00 ? 86 GLU A HG2 15 ATOM 22721 H HG3 . GLU A 1 86 ? -2.148 -19.110 0.053 1.00 0.00 ? 86 GLU A HG3 15 ATOM 22722 N N . ARG A 1 87 ? 1.523 -22.000 -0.807 1.00 0.00 ? 87 ARG A N 15 ATOM 22723 C CA . ARG A 1 87 ? 1.806 -23.201 -1.584 1.00 0.00 ? 87 ARG A CA 15 ATOM 22724 C C . ARG A 1 87 ? 1.837 -24.435 -0.687 1.00 0.00 ? 87 ARG A C 15 ATOM 22725 O O . ARG A 1 87 ? 1.254 -25.469 -1.014 1.00 0.00 ? 87 ARG A O 15 ATOM 22726 C CB . ARG A 1 87 ? 3.140 -23.057 -2.319 1.00 0.00 ? 87 ARG A CB 15 ATOM 22727 C CG . ARG A 1 87 ? 3.016 -22.402 -3.684 1.00 0.00 ? 87 ARG A CG 15 ATOM 22728 C CD . ARG A 1 87 ? 2.374 -23.339 -4.695 1.00 0.00 ? 87 ARG A CD 15 ATOM 22729 N NE . ARG A 1 87 ? 1.839 -22.618 -5.848 1.00 0.00 ? 87 ARG A NE 15 ATOM 22730 C CZ . ARG A 1 87 ? 1.459 -23.211 -6.974 1.00 0.00 ? 87 ARG A CZ 15 ATOM 22731 N NH1 . ARG A 1 87 ? 1.553 -24.527 -7.098 1.00 0.00 ? 87 ARG A NH1 15 ATOM 22732 N NH2 . ARG A 1 87 ? 0.983 -22.486 -7.978 1.00 0.00 ? 87 ARG A NH2 15 ATOM 22733 H H . ARG A 1 87 ? 2.151 -21.248 -0.844 1.00 0.00 ? 87 ARG A H 15 ATOM 22734 H HA . ARG A 1 87 ? 1.016 -23.319 -2.311 1.00 0.00 ? 87 ARG A HA 15 ATOM 22735 H HB2 . ARG A 1 87 ? 3.807 -22.458 -1.716 1.00 0.00 ? 87 ARG A HB2 15 ATOM 22736 H HB3 . ARG A 1 87 ? 3.571 -24.038 -2.452 1.00 0.00 ? 87 ARG A HB3 15 ATOM 22737 H HG2 . ARG A 1 87 ? 2.406 -21.515 -3.594 1.00 0.00 ? 87 ARG A HG2 15 ATOM 22738 H HG3 . ARG A 1 87 ? 4.001 -22.130 -4.033 1.00 0.00 ? 87 ARG A HG3 15 ATOM 22739 H HD2 . ARG A 1 87 ? 3.118 -24.043 -5.037 1.00 0.00 ? 87 ARG A HD2 15 ATOM 22740 H HD3 . ARG A 1 87 ? 1.569 -23.872 -4.211 1.00 0.00 ? 87 ARG A HD3 15 ATOM 22741 H HE . ARG A 1 87 ? 1.761 -21.644 -5.777 1.00 0.00 ? 87 ARG A HE 15 ATOM 22742 H HH11 . ARG A 1 87 ? 1.911 -25.076 -6.343 1.00 0.00 ? 87 ARG A HH11 15 ATOM 22743 H HH12 . ARG A 1 87 ? 1.265 -24.971 -7.947 1.00 0.00 ? 87 ARG A HH12 15 ATOM 22744 H HH21 . ARG A 1 87 ? 0.910 -21.493 -7.888 1.00 0.00 ? 87 ARG A HH21 15 ATOM 22745 H HH22 . ARG A 1 87 ? 0.697 -22.933 -8.825 1.00 0.00 ? 87 ARG A HH22 15 ATOM 22746 N N . LEU A 1 88 ? 2.522 -24.319 0.446 1.00 0.00 ? 88 LEU A N 15 ATOM 22747 C CA . LEU A 1 88 ? 2.631 -25.424 1.391 1.00 0.00 ? 88 LEU A CA 15 ATOM 22748 C C . LEU A 1 88 ? 1.251 -25.895 1.840 1.00 0.00 ? 88 LEU A C 15 ATOM 22749 O O . LEU A 1 88 ? 0.897 -27.062 1.675 1.00 0.00 ? 88 LEU A O 15 ATOM 22750 C CB . LEU A 1 88 ? 3.458 -25.003 2.606 1.00 0.00 ? 88 LEU A CB 15 ATOM 22751 C CG . LEU A 1 88 ? 4.975 -25.130 2.463 1.00 0.00 ? 88 LEU A CG 15 ATOM 22752 C CD1 . LEU A 1 88 ? 5.683 -24.124 3.357 1.00 0.00 ? 88 LEU A CD1 15 ATOM 22753 C CD2 . LEU A 1 88 ? 5.425 -26.547 2.790 1.00 0.00 ? 88 LEU A CD2 15 ATOM 22754 H H . LEU A 1 88 ? 2.965 -23.470 0.652 1.00 0.00 ? 88 LEU A H 15 ATOM 22755 H HA . LEU A 1 88 ? 3.131 -26.240 0.891 1.00 0.00 ? 88 LEU A HA 15 ATOM 22756 H HB2 . LEU A 1 88 ? 3.232 -23.969 2.818 1.00 0.00 ? 88 LEU A HB2 15 ATOM 22757 H HB3 . LEU A 1 88 ? 3.151 -25.615 3.443 1.00 0.00 ? 88 LEU A HB3 15 ATOM 22758 H HG . LEU A 1 88 ? 5.252 -24.919 1.439 1.00 0.00 ? 88 LEU A HG 15 ATOM 22759 H HD11 . LEU A 1 88 ? 6.382 -24.641 3.997 1.00 0.00 ? 88 LEU A HD11 15 ATOM 22760 H HD12 . LEU A 1 88 ? 4.954 -23.608 3.964 1.00 0.00 ? 88 LEU A HD12 15 ATOM 22761 H HD13 . LEU A 1 88 ? 6.213 -23.410 2.745 1.00 0.00 ? 88 LEU A HD13 15 ATOM 22762 H HD21 . LEU A 1 88 ? 4.646 -27.243 2.516 1.00 0.00 ? 88 LEU A HD21 15 ATOM 22763 H HD22 . LEU A 1 88 ? 5.622 -26.626 3.850 1.00 0.00 ? 88 LEU A HD22 15 ATOM 22764 H HD23 . LEU A 1 88 ? 6.324 -26.776 2.238 1.00 0.00 ? 88 LEU A HD23 15 ATOM 22765 N N . LYS A 1 89 ? 0.474 -24.978 2.406 1.00 0.00 ? 89 LYS A N 15 ATOM 22766 C CA . LYS A 1 89 ? -0.869 -25.296 2.876 1.00 0.00 ? 89 LYS A CA 15 ATOM 22767 C C . LYS A 1 89 ? -1.736 -25.817 1.733 1.00 0.00 ? 89 LYS A C 15 ATOM 22768 O O . LYS A 1 89 ? -2.707 -26.538 1.958 1.00 0.00 ? 89 LYS A O 15 ATOM 22769 C CB . LYS A 1 89 ? -1.520 -24.060 3.501 1.00 0.00 ? 89 LYS A CB 15 ATOM 22770 C CG . LYS A 1 89 ? -1.693 -22.906 2.528 1.00 0.00 ? 89 LYS A CG 15 ATOM 22771 C CD . LYS A 1 89 ? -2.591 -21.823 3.102 1.00 0.00 ? 89 LYS A CD 15 ATOM 22772 C CE . LYS A 1 89 ? -1.803 -20.843 3.958 1.00 0.00 ? 89 LYS A CE 15 ATOM 22773 N NZ . LYS A 1 89 ? -2.475 -19.516 4.042 1.00 0.00 ? 89 LYS A NZ 15 ATOM 22774 H H . LYS A 1 89 ? 0.812 -24.063 2.510 1.00 0.00 ? 89 LYS A H 15 ATOM 22775 H HA . LYS A 1 89 ? -0.784 -26.066 3.627 1.00 0.00 ? 89 LYS A HA 15 ATOM 22776 H HB2 . LYS A 1 89 ? -2.493 -24.333 3.880 1.00 0.00 ? 89 LYS A HB2 15 ATOM 22777 H HB3 . LYS A 1 89 ? -0.905 -23.721 4.322 1.00 0.00 ? 89 LYS A HB3 15 ATOM 22778 H HG2 . LYS A 1 89 ? -0.725 -22.480 2.313 1.00 0.00 ? 89 LYS A HG2 15 ATOM 22779 H HG3 . LYS A 1 89 ? -2.135 -23.281 1.615 1.00 0.00 ? 89 LYS A HG3 15 ATOM 22780 H HD2 . LYS A 1 89 ? -3.054 -21.283 2.290 1.00 0.00 ? 89 LYS A HD2 15 ATOM 22781 H HD3 . LYS A 1 89 ? -3.355 -22.286 3.711 1.00 0.00 ? 89 LYS A HD3 15 ATOM 22782 H HE2 . LYS A 1 89 ? -1.706 -21.250 4.953 1.00 0.00 ? 89 LYS A HE2 15 ATOM 22783 H HE3 . LYS A 1 89 ? -0.823 -20.714 3.525 1.00 0.00 ? 89 LYS A HE3 15 ATOM 22784 H HZ1 . LYS A 1 89 ? -2.156 -19.007 4.891 1.00 0.00 ? 89 LYS A HZ1 15 ATOM 22785 H HZ2 . LYS A 1 89 ? -3.506 -19.640 4.092 1.00 0.00 ? 89 LYS A HZ2 15 ATOM 22786 H HZ3 . LYS A 1 89 ? -2.245 -18.946 3.203 1.00 0.00 ? 89 LYS A HZ3 15 ATOM 22787 N N . ALA A 1 90 ? -1.377 -25.447 0.508 1.00 0.00 ? 90 ALA A N 15 ATOM 22788 C CA . ALA A 1 90 ? -2.119 -25.880 -0.669 1.00 0.00 ? 90 ALA A CA 15 ATOM 22789 C C . ALA A 1 90 ? -1.715 -27.290 -1.085 1.00 0.00 ? 90 ALA A C 15 ATOM 22790 O O . ALA A 1 90 ? -0.760 -27.856 -0.552 1.00 0.00 ? 90 ALA A O 15 ATOM 22791 C CB . ALA A 1 90 ? -1.903 -24.906 -1.817 1.00 0.00 ? 90 ALA A CB 15 ATOM 22792 H H . ALA A 1 90 ? -0.593 -24.871 0.393 1.00 0.00 ? 90 ALA A H 15 ATOM 22793 H HA . ALA A 1 90 ? -3.171 -25.876 -0.420 1.00 0.00 ? 90 ALA A HA 15 ATOM 22794 H HB1 . ALA A 1 90 ? -2.831 -24.398 -2.038 1.00 0.00 ? 90 ALA A HB1 15 ATOM 22795 H HB2 . ALA A 1 90 ? -1.153 -24.181 -1.537 1.00 0.00 ? 90 ALA A HB2 15 ATOM 22796 H HB3 . ALA A 1 90 ? -1.572 -25.448 -2.691 1.00 0.00 ? 90 ALA A HB3 15 ATOM 22797 N N . HIS A 1 91 ? -2.449 -27.853 -2.040 1.00 0.00 ? 91 HIS A N 15 ATOM 22798 C CA . HIS A 1 91 ? -2.166 -29.199 -2.528 1.00 0.00 ? 91 HIS A CA 15 ATOM 22799 C C . HIS A 1 91 ? -1.774 -29.171 -4.002 1.00 0.00 ? 91 HIS A C 15 ATOM 22800 O O . HIS A 1 91 ? -2.630 -29.064 -4.880 1.00 0.00 ? 91 HIS A O 15 ATOM 22801 C CB . HIS A 1 91 ? -3.383 -30.102 -2.329 1.00 0.00 ? 91 HIS A CB 15 ATOM 22802 C CG . HIS A 1 91 ? -3.293 -31.400 -3.070 1.00 0.00 ? 91 HIS A CG 15 ATOM 22803 N ND1 . HIS A 1 91 ? -2.410 -32.403 -2.729 1.00 0.00 ? 91 HIS A ND1 15 ATOM 22804 C CD2 . HIS A 1 91 ? -3.984 -31.858 -4.140 1.00 0.00 ? 91 HIS A CD2 15 ATOM 22805 C CE1 . HIS A 1 91 ? -2.560 -33.420 -3.558 1.00 0.00 ? 91 HIS A CE1 15 ATOM 22806 N NE2 . HIS A 1 91 ? -3.510 -33.115 -4.424 1.00 0.00 ? 91 HIS A NE2 15 ATOM 22807 H H . HIS A 1 91 ? -3.197 -27.352 -2.426 1.00 0.00 ? 91 HIS A H 15 ATOM 22808 H HA . HIS A 1 91 ? -1.340 -29.592 -1.956 1.00 0.00 ? 91 HIS A HA 15 ATOM 22809 H HB2 . HIS A 1 91 ? -3.488 -30.328 -1.278 1.00 0.00 ? 91 HIS A HB2 15 ATOM 22810 H HB3 . HIS A 1 91 ? -4.268 -29.584 -2.671 1.00 0.00 ? 91 HIS A HB3 15 ATOM 22811 H HD1 . HIS A 1 91 ? -1.768 -32.372 -1.990 1.00 0.00 ? 91 HIS A HD1 15 ATOM 22812 H HD2 . HIS A 1 91 ? -4.764 -31.333 -4.674 1.00 0.00 ? 91 HIS A HD2 15 ATOM 22813 H HE1 . HIS A 1 91 ? -2.002 -34.344 -3.532 1.00 0.00 ? 91 HIS A HE1 15 ATOM 22814 H HE2 . HIS A 1 91 ? -3.761 -33.659 -5.199 1.00 0.00 ? 91 HIS A HE2 15 ATOM 22815 N N . SER A 1 92 ? -0.475 -29.267 -4.266 1.00 0.00 ? 92 SER A N 15 ATOM 22816 C CA . SER A 1 92 ? 0.031 -29.249 -5.634 1.00 0.00 ? 92 SER A CA 15 ATOM 22817 C C . SER A 1 92 ? -0.932 -29.961 -6.579 1.00 0.00 ? 92 SER A C 15 ATOM 22818 O O . SER A 1 92 ? -1.570 -30.946 -6.208 1.00 0.00 ? 92 SER A O 15 ATOM 22819 C CB . SER A 1 92 ? 1.409 -29.909 -5.699 1.00 0.00 ? 92 SER A CB 15 ATOM 22820 O OG . SER A 1 92 ? 2.393 -29.097 -5.083 1.00 0.00 ? 92 SER A OG 15 ATOM 22821 H H . SER A 1 92 ? 0.158 -29.351 -3.523 1.00 0.00 ? 92 SER A H 15 ATOM 22822 H HA . SER A 1 92 ? 0.120 -28.217 -5.940 1.00 0.00 ? 92 SER A HA 15 ATOM 22823 H HB2 . SER A 1 92 ? 1.374 -30.860 -5.191 1.00 0.00 ? 92 SER A HB2 15 ATOM 22824 H HB3 . SER A 1 92 ? 1.682 -30.063 -6.733 1.00 0.00 ? 92 SER A HB3 15 ATOM 22825 H HG . SER A 1 92 ? 3.150 -29.012 -5.667 1.00 0.00 ? 92 SER A HG 15 ATOM 22826 N N . GLY A 1 93 ? -1.033 -29.454 -7.804 1.00 0.00 ? 93 GLY A N 15 ATOM 22827 C CA . GLY A 1 93 ? -1.920 -30.053 -8.784 1.00 0.00 ? 93 GLY A CA 15 ATOM 22828 C C . GLY A 1 93 ? -1.410 -31.389 -9.287 1.00 0.00 ? 93 GLY A C 15 ATOM 22829 O O . GLY A 1 93 ? -0.207 -31.604 -9.431 1.00 0.00 ? 93 GLY A O 15 ATOM 22830 H H . GLY A 1 93 ? -0.500 -28.667 -8.044 1.00 0.00 ? 93 GLY A H 15 ATOM 22831 H HA2 . GLY A 1 93 ? -2.891 -30.196 -8.335 1.00 0.00 ? 93 GLY A HA2 15 ATOM 22832 H HA3 . GLY A 1 93 ? -2.018 -29.379 -9.623 1.00 0.00 ? 93 GLY A HA3 15 ATOM 22833 N N . PRO A 1 94 ? -2.340 -32.316 -9.562 1.00 0.00 ? 94 PRO A N 15 ATOM 22834 C CA . PRO A 1 94 ? -2.002 -33.654 -10.055 1.00 0.00 ? 94 PRO A CA 15 ATOM 22835 C C . PRO A 1 94 ? -1.465 -33.628 -11.482 1.00 0.00 ? 94 PRO A C 15 ATOM 22836 O O . PRO A 1 94 ? -0.795 -34.563 -11.920 1.00 0.00 ? 94 PRO A O 15 ATOM 22837 C CB . PRO A 1 94 ? -3.337 -34.400 -9.999 1.00 0.00 ? 94 PRO A CB 15 ATOM 22838 C CG . PRO A 1 94 ? -4.372 -33.333 -10.101 1.00 0.00 ? 94 PRO A CG 15 ATOM 22839 C CD . PRO A 1 94 ? -3.793 -32.128 -9.413 1.00 0.00 ? 94 PRO A CD 15 ATOM 22840 H HA . PRO A 1 94 ? -1.286 -34.145 -9.411 1.00 0.00 ? 94 PRO A HA 15 ATOM 22841 H HB2 . PRO A 1 94 ? -3.400 -35.093 -10.827 1.00 0.00 ? 94 PRO A HB2 15 ATOM 22842 H HB3 . PRO A 1 94 ? -3.415 -34.938 -9.066 1.00 0.00 ? 94 PRO A HB3 15 ATOM 22843 H HG2 . PRO A 1 94 ? -4.572 -33.113 -11.139 1.00 0.00 ? 94 PRO A HG2 15 ATOM 22844 H HG3 . PRO A 1 94 ? -5.276 -33.651 -9.603 1.00 0.00 ? 94 PRO A HG3 15 ATOM 22845 H HD2 . PRO A 1 94 ? -4.117 -31.222 -9.903 1.00 0.00 ? 94 PRO A HD2 15 ATOM 22846 H HD3 . PRO A 1 94 ? -4.075 -32.117 -8.371 1.00 0.00 ? 94 PRO A HD3 15 ATOM 22847 N N . SER A 1 95 ? -1.763 -32.551 -12.202 1.00 0.00 ? 95 SER A N 15 ATOM 22848 C CA . SER A 1 95 ? -1.313 -32.405 -13.581 1.00 0.00 ? 95 SER A CA 15 ATOM 22849 C C . SER A 1 95 ? 0.161 -32.017 -13.633 1.00 0.00 ? 95 SER A C 15 ATOM 22850 O O . SER A 1 95 ? 0.644 -31.257 -12.794 1.00 0.00 ? 95 SER A O 15 ATOM 22851 C CB . SER A 1 95 ? -2.156 -31.354 -14.306 1.00 0.00 ? 95 SER A CB 15 ATOM 22852 O OG . SER A 1 95 ? -2.251 -31.642 -15.690 1.00 0.00 ? 95 SER A OG 15 ATOM 22853 H H . SER A 1 95 ? -2.301 -31.839 -11.796 1.00 0.00 ? 95 SER A H 15 ATOM 22854 H HA . SER A 1 95 ? -1.440 -33.358 -14.074 1.00 0.00 ? 95 SER A HA 15 ATOM 22855 H HB2 . SER A 1 95 ? -3.149 -31.339 -13.885 1.00 0.00 ? 95 SER A HB2 15 ATOM 22856 H HB3 . SER A 1 95 ? -1.698 -30.383 -14.183 1.00 0.00 ? 95 SER A HB3 15 ATOM 22857 H HG . SER A 1 95 ? -1.373 -31.641 -16.079 1.00 0.00 ? 95 SER A HG 15 ATOM 22858 N N . SER A 1 96 ? 0.871 -32.544 -14.625 1.00 0.00 ? 96 SER A N 15 ATOM 22859 C CA . SER A 1 96 ? 2.291 -32.256 -14.786 1.00 0.00 ? 96 SER A CA 15 ATOM 22860 C C . SER A 1 96 ? 2.498 -30.946 -15.541 1.00 0.00 ? 96 SER A C 15 ATOM 22861 O O . SER A 1 96 ? 3.600 -30.399 -15.566 1.00 0.00 ? 96 SER A O 15 ATOM 22862 C CB . SER A 1 96 ? 2.984 -33.400 -15.528 1.00 0.00 ? 96 SER A CB 15 ATOM 22863 O OG . SER A 1 96 ? 2.680 -33.369 -16.912 1.00 0.00 ? 96 SER A OG 15 ATOM 22864 H H . SER A 1 96 ? 0.429 -33.143 -15.263 1.00 0.00 ? 96 SER A H 15 ATOM 22865 H HA . SER A 1 96 ? 2.724 -32.163 -13.801 1.00 0.00 ? 96 SER A HA 15 ATOM 22866 H HB2 . SER A 1 96 ? 4.053 -33.311 -15.405 1.00 0.00 ? 96 SER A HB2 15 ATOM 22867 H HB3 . SER A 1 96 ? 2.652 -34.344 -15.120 1.00 0.00 ? 96 SER A HB3 15 ATOM 22868 H HG . SER A 1 96 ? 1.823 -32.956 -17.042 1.00 0.00 ? 96 SER A HG 15 ATOM 22869 N N . GLY A 1 97 ? 1.429 -30.449 -16.155 1.00 0.00 ? 97 GLY A N 15 ATOM 22870 C CA . GLY A 1 97 ? 1.513 -29.208 -16.902 1.00 0.00 ? 97 GLY A CA 15 ATOM 22871 C C . GLY A 1 97 ? 0.641 -28.117 -16.314 1.00 0.00 ? 97 GLY A C 15 ATOM 22872 O O . GLY A 1 97 ? 1.048 -27.422 -15.383 1.00 0.00 ? 97 GLY A O 15 ATOM 22873 H H . GLY A 1 97 ? 0.576 -30.929 -16.100 1.00 0.00 ? 97 GLY A H 15 ATOM 22874 H HA2 . GLY A 1 97 ? 2.539 -28.872 -16.906 1.00 0.00 ? 97 GLY A HA2 15 ATOM 22875 H HA3 . GLY A 1 97 ? 1.201 -29.392 -17.920 1.00 0.00 ? 97 GLY A HA3 15 ATOM 22876 N N . GLY A 1 1 ? -0.678 14.312 12.941 1.00 0.00 ? 1 GLY A N 16 ATOM 22877 C CA . GLY A 1 1 ? -2.057 14.758 13.012 1.00 0.00 ? 1 GLY A CA 16 ATOM 22878 C C . GLY A 1 1 ? -2.303 15.698 14.176 1.00 0.00 ? 1 GLY A C 16 ATOM 22879 O O . GLY A 1 1 ? -2.932 15.321 15.164 1.00 0.00 ? 1 GLY A O 16 ATOM 22880 H H1 . GLY A 1 1 ? -0.424 13.447 13.327 1.00 0.00 ? 1 GLY A H1 16 ATOM 22881 H HA2 . GLY A 1 1 ? -2.307 15.267 12.093 1.00 0.00 ? 1 GLY A HA2 16 ATOM 22882 H HA3 . GLY A 1 1 ? -2.698 13.895 13.119 1.00 0.00 ? 1 GLY A HA3 16 ATOM 22883 N N . SER A 1 2 ? -1.804 16.925 14.060 1.00 0.00 ? 2 SER A N 16 ATOM 22884 C CA . SER A 1 2 ? -1.969 17.919 15.113 1.00 0.00 ? 2 SER A CA 16 ATOM 22885 C C . SER A 1 2 ? -2.683 19.159 14.584 1.00 0.00 ? 2 SER A C 16 ATOM 22886 O O . SER A 1 2 ? -2.566 19.500 13.407 1.00 0.00 ? 2 SER A O 16 ATOM 22887 C CB . SER A 1 2 ? -0.607 18.309 15.693 1.00 0.00 ? 2 SER A CB 16 ATOM 22888 O OG . SER A 1 2 ? -0.747 18.891 16.977 1.00 0.00 ? 2 SER A OG 16 ATOM 22889 H H . SER A 1 2 ? -1.312 17.165 13.247 1.00 0.00 ? 2 SER A H 16 ATOM 22890 H HA . SER A 1 2 ? -2.570 17.478 15.895 1.00 0.00 ? 2 SER A HA 16 ATOM 22891 H HB2 . SER A 1 2 ? 0.011 17.429 15.775 1.00 0.00 ? 2 SER A HB2 16 ATOM 22892 H HB3 . SER A 1 2 ? -0.132 19.024 15.036 1.00 0.00 ? 2 SER A HB3 16 ATOM 22893 H HG . SER A 1 2 ? -1.374 18.379 17.494 1.00 0.00 ? 2 SER A HG 16 ATOM 22894 N N . SER A 1 3 ? -3.423 19.828 15.462 1.00 0.00 ? 3 SER A N 16 ATOM 22895 C CA . SER A 1 3 ? -4.160 21.028 15.083 1.00 0.00 ? 3 SER A CA 16 ATOM 22896 C C . SER A 1 3 ? -3.249 22.253 15.098 1.00 0.00 ? 3 SER A C 16 ATOM 22897 O O . SER A 1 3 ? -3.176 22.974 16.092 1.00 0.00 ? 3 SER A O 16 ATOM 22898 C CB . SER A 1 3 ? -5.342 21.246 16.029 1.00 0.00 ? 3 SER A CB 16 ATOM 22899 O OG . SER A 1 3 ? -6.217 20.132 16.018 1.00 0.00 ? 3 SER A OG 16 ATOM 22900 H H . SER A 1 3 ? -3.476 19.506 16.386 1.00 0.00 ? 3 SER A H 16 ATOM 22901 H HA . SER A 1 3 ? -4.534 20.885 14.080 1.00 0.00 ? 3 SER A HA 16 ATOM 22902 H HB2 . SER A 1 3 ? -4.974 21.390 17.034 1.00 0.00 ? 3 SER A HB2 16 ATOM 22903 H HB3 . SER A 1 3 ? -5.891 22.124 15.718 1.00 0.00 ? 3 SER A HB3 16 ATOM 22904 H HG . SER A 1 3 ? -6.752 20.137 16.814 1.00 0.00 ? 3 SER A HG 16 ATOM 22905 N N . GLY A 1 4 ? -2.555 22.480 13.987 1.00 0.00 ? 4 GLY A N 16 ATOM 22906 C CA . GLY A 1 4 ? -1.658 23.617 13.892 1.00 0.00 ? 4 GLY A CA 16 ATOM 22907 C C . GLY A 1 4 ? -2.000 24.530 12.731 1.00 0.00 ? 4 GLY A C 16 ATOM 22908 O O . GLY A 1 4 ? -3.110 25.055 12.652 1.00 0.00 ? 4 GLY A O 16 ATOM 22909 H H . GLY A 1 4 ? -2.654 21.871 13.225 1.00 0.00 ? 4 GLY A H 16 ATOM 22910 H HA2 . GLY A 1 4 ? -1.714 24.183 14.810 1.00 0.00 ? 4 GLY A HA2 16 ATOM 22911 H HA3 . GLY A 1 4 ? -0.649 23.255 13.765 1.00 0.00 ? 4 GLY A HA3 16 ATOM 22912 N N . SER A 1 5 ? -1.043 24.720 11.829 1.00 0.00 ? 5 SER A N 16 ATOM 22913 C CA . SER A 1 5 ? -1.246 25.581 10.669 1.00 0.00 ? 5 SER A CA 16 ATOM 22914 C C . SER A 1 5 ? -2.014 24.846 9.575 1.00 0.00 ? 5 SER A C 16 ATOM 22915 O O . SER A 1 5 ? -2.249 23.641 9.668 1.00 0.00 ? 5 SER A O 16 ATOM 22916 C CB . SER A 1 5 ? 0.100 26.065 10.125 1.00 0.00 ? 5 SER A CB 16 ATOM 22917 O OG . SER A 1 5 ? 0.856 24.987 9.601 1.00 0.00 ? 5 SER A OG 16 ATOM 22918 H H . SER A 1 5 ? -0.178 24.273 11.947 1.00 0.00 ? 5 SER A H 16 ATOM 22919 H HA . SER A 1 5 ? -1.824 26.435 10.987 1.00 0.00 ? 5 SER A HA 16 ATOM 22920 H HB2 . SER A 1 5 ? -0.071 26.785 9.339 1.00 0.00 ? 5 SER A HB2 16 ATOM 22921 H HB3 . SER A 1 5 ? 0.661 26.530 10.923 1.00 0.00 ? 5 SER A HB3 16 ATOM 22922 H HG . SER A 1 5 ? 0.268 24.261 9.381 1.00 0.00 ? 5 SER A HG 16 ATOM 22923 N N . SER A 1 6 ? -2.404 25.581 8.538 1.00 0.00 ? 6 SER A N 16 ATOM 22924 C CA . SER A 1 6 ? -3.150 25.001 7.428 1.00 0.00 ? 6 SER A CA 16 ATOM 22925 C C . SER A 1 6 ? -2.257 24.090 6.590 1.00 0.00 ? 6 SER A C 16 ATOM 22926 O O . SER A 1 6 ? -1.217 24.512 6.089 1.00 0.00 ? 6 SER A O 16 ATOM 22927 C CB . SER A 1 6 ? -3.738 26.106 6.548 1.00 0.00 ? 6 SER A CB 16 ATOM 22928 O OG . SER A 1 6 ? -2.733 27.011 6.127 1.00 0.00 ? 6 SER A OG 16 ATOM 22929 H H . SER A 1 6 ? -2.187 26.536 8.522 1.00 0.00 ? 6 SER A H 16 ATOM 22930 H HA . SER A 1 6 ? -3.957 24.414 7.841 1.00 0.00 ? 6 SER A HA 16 ATOM 22931 H HB2 . SER A 1 6 ? -4.195 25.664 5.676 1.00 0.00 ? 6 SER A HB2 16 ATOM 22932 H HB3 . SER A 1 6 ? -4.484 26.650 7.110 1.00 0.00 ? 6 SER A HB3 16 ATOM 22933 H HG . SER A 1 6 ? -1.891 26.553 6.073 1.00 0.00 ? 6 SER A HG 16 ATOM 22934 N N . GLY A 1 7 ? -2.673 22.836 6.444 1.00 0.00 ? 7 GLY A N 16 ATOM 22935 C CA . GLY A 1 7 ? -1.901 21.883 5.668 1.00 0.00 ? 7 GLY A CA 16 ATOM 22936 C C . GLY A 1 7 ? -2.453 21.692 4.269 1.00 0.00 ? 7 GLY A C 16 ATOM 22937 O O . GLY A 1 7 ? -3.464 22.294 3.906 1.00 0.00 ? 7 GLY A O 16 ATOM 22938 H H . GLY A 1 7 ? -3.512 22.554 6.867 1.00 0.00 ? 7 GLY A H 16 ATOM 22939 H HA2 . GLY A 1 7 ? -0.883 22.236 5.597 1.00 0.00 ? 7 GLY A HA2 16 ATOM 22940 H HA3 . GLY A 1 7 ? -1.907 20.931 6.178 1.00 0.00 ? 7 GLY A HA3 16 ATOM 22941 N N . MET A 1 8 ? -1.788 20.854 3.481 1.00 0.00 ? 8 MET A N 16 ATOM 22942 C CA . MET A 1 8 ? -2.219 20.586 2.114 1.00 0.00 ? 8 MET A CA 16 ATOM 22943 C C . MET A 1 8 ? -3.567 19.873 2.099 1.00 0.00 ? 8 MET A C 16 ATOM 22944 O O . MET A 1 8 ? -3.633 18.656 1.925 1.00 0.00 ? 8 MET A O 16 ATOM 22945 C CB . MET A 1 8 ? -1.173 19.741 1.384 1.00 0.00 ? 8 MET A CB 16 ATOM 22946 C CG . MET A 1 8 ? -0.021 20.555 0.817 1.00 0.00 ? 8 MET A CG 16 ATOM 22947 S SD . MET A 1 8 ? -0.495 21.509 -0.638 1.00 0.00 ? 8 MET A SD 16 ATOM 22948 C CE . MET A 1 8 ? 0.578 20.789 -1.878 1.00 0.00 ? 8 MET A CE 16 ATOM 22949 H H . MET A 1 8 ? -0.989 20.404 3.827 1.00 0.00 ? 8 MET A H 16 ATOM 22950 H HA . MET A 1 8 ? -2.320 21.534 1.607 1.00 0.00 ? 8 MET A HA 16 ATOM 22951 H HB2 . MET A 1 8 ? -0.768 19.016 2.073 1.00 0.00 ? 8 MET A HB2 16 ATOM 22952 H HB3 . MET A 1 8 ? -1.653 19.221 0.568 1.00 0.00 ? 8 MET A HB3 16 ATOM 22953 H HG2 . MET A 1 8 ? 0.329 21.237 1.578 1.00 0.00 ? 8 MET A HG2 16 ATOM 22954 H HG3 . MET A 1 8 ? 0.778 19.882 0.546 1.00 0.00 ? 8 MET A HG3 16 ATOM 22955 H HE1 . MET A 1 8 ? 0.297 21.155 -2.855 1.00 0.00 ? 8 MET A HE1 16 ATOM 22956 H HE2 . MET A 1 8 ? 1.602 21.063 -1.671 1.00 0.00 ? 8 MET A HE2 16 ATOM 22957 H HE3 . MET A 1 8 ? 0.482 19.713 -1.856 1.00 0.00 ? 8 MET A HE3 16 ATOM 22958 N N . GLU A 1 9 ? -4.638 20.638 2.282 1.00 0.00 ? 9 GLU A N 16 ATOM 22959 C CA . GLU A 1 9 ? -5.984 20.077 2.290 1.00 0.00 ? 9 GLU A CA 16 ATOM 22960 C C . GLU A 1 9 ? -6.426 19.702 0.879 1.00 0.00 ? 9 GLU A C 16 ATOM 22961 O O . GLU A 1 9 ? -7.390 20.256 0.351 1.00 0.00 ? 9 GLU A O 16 ATOM 22962 C CB . GLU A 1 9 ? -6.973 21.074 2.899 1.00 0.00 ? 9 GLU A CB 16 ATOM 22963 C CG . GLU A 1 9 ? -6.625 21.486 4.319 1.00 0.00 ? 9 GLU A CG 16 ATOM 22964 C CD . GLU A 1 9 ? -7.413 22.695 4.785 1.00 0.00 ? 9 GLU A CD 16 ATOM 22965 O OE1 . GLU A 1 9 ? -7.335 23.747 4.116 1.00 0.00 ? 9 GLU A OE1 16 ATOM 22966 O OE2 . GLU A 1 9 ? -8.107 22.589 5.818 1.00 0.00 ? 9 GLU A OE2 16 ATOM 22967 H H . GLU A 1 9 ? -4.521 21.601 2.416 1.00 0.00 ? 9 GLU A H 16 ATOM 22968 H HA . GLU A 1 9 ? -5.968 19.184 2.898 1.00 0.00 ? 9 GLU A HA 16 ATOM 22969 H HB2 . GLU A 1 9 ? -6.995 21.961 2.283 1.00 0.00 ? 9 GLU A HB2 16 ATOM 22970 H HB3 . GLU A 1 9 ? -7.956 20.628 2.906 1.00 0.00 ? 9 GLU A HB3 16 ATOM 22971 H HG2 . GLU A 1 9 ? -6.837 20.660 4.982 1.00 0.00 ? 9 GLU A HG2 16 ATOM 22972 H HG3 . GLU A 1 9 ? -5.572 21.722 4.365 1.00 0.00 ? 9 GLU A HG3 16 ATOM 22973 N N . GLY A 1 10 ? -5.713 18.758 0.272 1.00 0.00 ? 10 GLY A N 16 ATOM 22974 C CA . GLY A 1 10 ? -6.046 18.326 -1.073 1.00 0.00 ? 10 GLY A CA 16 ATOM 22975 C C . GLY A 1 10 ? -5.359 17.029 -1.452 1.00 0.00 ? 10 GLY A C 16 ATOM 22976 O O . GLY A 1 10 ? -5.969 15.960 -1.467 1.00 0.00 ? 10 GLY A O 16 ATOM 22977 H H . GLY A 1 10 ? -4.955 18.351 0.742 1.00 0.00 ? 10 GLY A H 16 ATOM 22978 H HA2 . GLY A 1 10 ? -7.115 18.189 -1.141 1.00 0.00 ? 10 GLY A HA2 16 ATOM 22979 H HA3 . GLY A 1 10 ? -5.747 19.095 -1.770 1.00 0.00 ? 10 GLY A HA3 16 ATOM 22980 N N . PRO A 1 11 ? -4.058 17.114 -1.768 1.00 0.00 ? 11 PRO A N 16 ATOM 22981 C CA . PRO A 1 11 ? -3.260 15.947 -2.156 1.00 0.00 ? 11 PRO A CA 16 ATOM 22982 C C . PRO A 1 11 ? -3.014 14.999 -0.987 1.00 0.00 ? 11 PRO A C 16 ATOM 22983 O O . PRO A 1 11 ? -2.544 13.875 -1.174 1.00 0.00 ? 11 PRO A O 16 ATOM 22984 C CB . PRO A 1 11 ? -1.941 16.562 -2.631 1.00 0.00 ? 11 PRO A CB 16 ATOM 22985 C CG . PRO A 1 11 ? -1.852 17.867 -1.918 1.00 0.00 ? 11 PRO A CG 16 ATOM 22986 C CD . PRO A 1 11 ? -3.267 18.356 -1.771 1.00 0.00 ? 11 PRO A CD 16 ATOM 22987 H HA . PRO A 1 11 ? -3.720 15.404 -2.968 1.00 0.00 ? 11 PRO A HA 16 ATOM 22988 H HB2 . PRO A 1 11 ? -1.121 15.909 -2.367 1.00 0.00 ? 11 PRO A HB2 16 ATOM 22989 H HB3 . PRO A 1 11 ? -1.969 16.699 -3.702 1.00 0.00 ? 11 PRO A HB3 16 ATOM 22990 H HG2 . PRO A 1 11 ? -1.402 17.724 -0.947 1.00 0.00 ? 11 PRO A HG2 16 ATOM 22991 H HG3 . PRO A 1 11 ? -1.273 18.566 -2.503 1.00 0.00 ? 11 PRO A HG3 16 ATOM 22992 H HD2 . PRO A 1 11 ? -3.386 18.891 -0.840 1.00 0.00 ? 11 PRO A HD2 16 ATOM 22993 H HD3 . PRO A 1 11 ? -3.538 18.983 -2.607 1.00 0.00 ? 11 PRO A HD3 16 ATOM 22994 N N . LEU A 1 12 ? -3.336 15.456 0.218 1.00 0.00 ? 12 LEU A N 16 ATOM 22995 C CA . LEU A 1 12 ? -3.151 14.647 1.418 1.00 0.00 ? 12 LEU A CA 16 ATOM 22996 C C . LEU A 1 12 ? -4.238 13.583 1.530 1.00 0.00 ? 12 LEU A C 16 ATOM 22997 O O . LEU A 1 12 ? -3.972 12.451 1.931 1.00 0.00 ? 12 LEU A O 16 ATOM 22998 C CB . LEU A 1 12 ? -3.160 15.537 2.662 1.00 0.00 ? 12 LEU A CB 16 ATOM 22999 C CG . LEU A 1 12 ? -1.830 16.197 3.026 1.00 0.00 ? 12 LEU A CG 16 ATOM 23000 C CD1 . LEU A 1 12 ? -2.021 17.198 4.155 1.00 0.00 ? 12 LEU A CD1 16 ATOM 23001 C CD2 . LEU A 1 12 ? -0.800 15.145 3.412 1.00 0.00 ? 12 LEU A CD2 16 ATOM 23002 H H . LEU A 1 12 ? -3.706 16.359 0.304 1.00 0.00 ? 12 LEU A H 16 ATOM 23003 H HA . LEU A 1 12 ? -2.191 14.158 1.342 1.00 0.00 ? 12 LEU A HA 16 ATOM 23004 H HB2 . LEU A 1 12 ? -3.885 16.320 2.504 1.00 0.00 ? 12 LEU A HB2 16 ATOM 23005 H HB3 . LEU A 1 12 ? -3.468 14.928 3.500 1.00 0.00 ? 12 LEU A HB3 16 ATOM 23006 H HG . LEU A 1 12 ? -1.454 16.733 2.165 1.00 0.00 ? 12 LEU A HG 16 ATOM 23007 H HD11 . LEU A 1 12 ? -1.173 17.864 4.193 1.00 0.00 ? 12 LEU A HD11 16 ATOM 23008 H HD12 . LEU A 1 12 ? -2.106 16.670 5.093 1.00 0.00 ? 12 LEU A HD12 16 ATOM 23009 H HD13 . LEU A 1 12 ? -2.922 17.769 3.981 1.00 0.00 ? 12 LEU A HD13 16 ATOM 23010 H HD21 . LEU A 1 12 ? -1.186 14.545 4.223 1.00 0.00 ? 12 LEU A HD21 16 ATOM 23011 H HD22 . LEU A 1 12 ? 0.111 15.632 3.728 1.00 0.00 ? 12 LEU A HD22 16 ATOM 23012 H HD23 . LEU A 1 12 ? -0.595 14.513 2.561 1.00 0.00 ? 12 LEU A HD23 16 ATOM 23013 N N . ASN A 1 13 ? -5.462 13.956 1.172 1.00 0.00 ? 13 ASN A N 16 ATOM 23014 C CA . ASN A 1 13 ? -6.590 13.033 1.231 1.00 0.00 ? 13 ASN A CA 16 ATOM 23015 C C . ASN A 1 13 ? -6.618 12.129 0.002 1.00 0.00 ? 13 ASN A C 16 ATOM 23016 O O . ASN A 1 13 ? -6.990 10.958 0.087 1.00 0.00 ? 13 ASN A O 16 ATOM 23017 C CB . ASN A 1 13 ? -7.905 13.808 1.339 1.00 0.00 ? 13 ASN A CB 16 ATOM 23018 C CG . ASN A 1 13 ? -9.063 12.924 1.761 1.00 0.00 ? 13 ASN A CG 16 ATOM 23019 O OD1 . ASN A 1 13 ? -8.895 11.725 1.984 1.00 0.00 ? 13 ASN A OD1 16 ATOM 23020 N ND2 . ASN A 1 13 ? -10.248 13.515 1.871 1.00 0.00 ? 13 ASN A ND2 16 ATOM 23021 H H . ASN A 1 13 ? -5.611 14.873 0.860 1.00 0.00 ? 13 ASN A H 16 ATOM 23022 H HA . ASN A 1 13 ? -6.470 12.420 2.112 1.00 0.00 ? 13 ASN A HA 16 ATOM 23023 H HB2 . ASN A 1 13 ? -7.793 14.594 2.071 1.00 0.00 ? 13 ASN A HB2 16 ATOM 23024 H HB3 . ASN A 1 13 ? -8.139 14.244 0.380 1.00 0.00 ? 13 ASN A HB3 16 ATOM 23025 H HD21 . ASN A 1 13 ? -10.307 14.474 1.677 1.00 0.00 ? 13 ASN A HD21 16 ATOM 23026 H HD22 . ASN A 1 13 ? -11.014 12.967 2.143 1.00 0.00 ? 13 ASN A HD22 16 ATOM 23027 N N . LEU A 1 14 ? -6.223 12.681 -1.140 1.00 0.00 ? 14 LEU A N 16 ATOM 23028 C CA . LEU A 1 14 ? -6.202 11.925 -2.388 1.00 0.00 ? 14 LEU A CA 16 ATOM 23029 C C . LEU A 1 14 ? -5.412 10.630 -2.227 1.00 0.00 ? 14 LEU A C 16 ATOM 23030 O O . LEU A 1 14 ? -5.828 9.575 -2.703 1.00 0.00 ? 14 LEU A O 16 ATOM 23031 C CB . LEU A 1 14 ? -5.596 12.770 -3.509 1.00 0.00 ? 14 LEU A CB 16 ATOM 23032 C CG . LEU A 1 14 ? -6.576 13.632 -4.305 1.00 0.00 ? 14 LEU A CG 16 ATOM 23033 C CD1 . LEU A 1 14 ? -5.826 14.627 -5.177 1.00 0.00 ? 14 LEU A CD1 16 ATOM 23034 C CD2 . LEU A 1 14 ? -7.487 12.758 -5.154 1.00 0.00 ? 14 LEU A CD2 16 ATOM 23035 H H . LEU A 1 14 ? -5.938 13.618 -1.145 1.00 0.00 ? 14 LEU A H 16 ATOM 23036 H HA . LEU A 1 14 ? -7.222 11.681 -2.644 1.00 0.00 ? 14 LEU A HA 16 ATOM 23037 H HB2 . LEU A 1 14 ? -4.862 13.427 -3.067 1.00 0.00 ? 14 LEU A HB2 16 ATOM 23038 H HB3 . LEU A 1 14 ? -5.106 12.099 -4.200 1.00 0.00 ? 14 LEU A HB3 16 ATOM 23039 H HG . LEU A 1 14 ? -7.194 14.192 -3.617 1.00 0.00 ? 14 LEU A HG 16 ATOM 23040 H HD11 . LEU A 1 14 ? -4.898 14.898 -4.697 1.00 0.00 ? 14 LEU A HD11 16 ATOM 23041 H HD12 . LEU A 1 14 ? -6.430 15.511 -5.317 1.00 0.00 ? 14 LEU A HD12 16 ATOM 23042 H HD13 . LEU A 1 14 ? -5.617 14.179 -6.137 1.00 0.00 ? 14 LEU A HD13 16 ATOM 23043 H HD21 . LEU A 1 14 ? -6.923 12.342 -5.976 1.00 0.00 ? 14 LEU A HD21 16 ATOM 23044 H HD22 . LEU A 1 14 ? -8.300 13.354 -5.541 1.00 0.00 ? 14 LEU A HD22 16 ATOM 23045 H HD23 . LEU A 1 14 ? -7.884 11.957 -4.548 1.00 0.00 ? 14 LEU A HD23 16 ATOM 23046 N N . ALA A 1 15 ? -4.272 10.719 -1.551 1.00 0.00 ? 15 ALA A N 16 ATOM 23047 C CA . ALA A 1 15 ? -3.426 9.554 -1.323 1.00 0.00 ? 15 ALA A CA 16 ATOM 23048 C C . ALA A 1 15 ? -4.058 8.605 -0.311 1.00 0.00 ? 15 ALA A C 16 ATOM 23049 O O . ALA A 1 15 ? -3.762 7.410 -0.296 1.00 0.00 ? 15 ALA A O 16 ATOM 23050 C CB . ALA A 1 15 ? -2.046 9.988 -0.852 1.00 0.00 ? 15 ALA A CB 16 ATOM 23051 H H . ALA A 1 15 ? -3.993 11.589 -1.195 1.00 0.00 ? 15 ALA A H 16 ATOM 23052 H HA . ALA A 1 15 ? -3.311 9.036 -2.264 1.00 0.00 ? 15 ALA A HA 16 ATOM 23053 H HB1 . ALA A 1 15 ? -1.769 10.907 -1.348 1.00 0.00 ? 15 ALA A HB1 16 ATOM 23054 H HB2 . ALA A 1 15 ? -2.063 10.147 0.216 1.00 0.00 ? 15 ALA A HB2 16 ATOM 23055 H HB3 . ALA A 1 15 ? -1.326 9.219 -1.090 1.00 0.00 ? 15 ALA A HB3 16 ATOM 23056 N N . HIS A 1 16 ? -4.930 9.145 0.535 1.00 0.00 ? 16 HIS A N 16 ATOM 23057 C CA . HIS A 1 16 ? -5.605 8.346 1.551 1.00 0.00 ? 16 HIS A CA 16 ATOM 23058 C C . HIS A 1 16 ? -6.584 7.366 0.911 1.00 0.00 ? 16 HIS A C 16 ATOM 23059 O O . HIS A 1 16 ? -6.701 6.220 1.343 1.00 0.00 ? 16 HIS A O 16 ATOM 23060 C CB . HIS A 1 16 ? -6.344 9.253 2.536 1.00 0.00 ? 16 HIS A CB 16 ATOM 23061 C CG . HIS A 1 16 ? -5.439 10.171 3.299 1.00 0.00 ? 16 HIS A CG 16 ATOM 23062 N ND1 . HIS A 1 16 ? -5.899 11.256 4.014 1.00 0.00 ? 16 HIS A ND1 16 ATOM 23063 C CD2 . HIS A 1 16 ? -4.095 10.159 3.457 1.00 0.00 ? 16 HIS A CD2 16 ATOM 23064 C CE1 . HIS A 1 16 ? -4.876 11.874 4.578 1.00 0.00 ? 16 HIS A CE1 16 ATOM 23065 N NE2 . HIS A 1 16 ? -3.770 11.228 4.256 1.00 0.00 ? 16 HIS A NE2 16 ATOM 23066 H H . HIS A 1 16 ? -5.125 10.104 0.473 1.00 0.00 ? 16 HIS A H 16 ATOM 23067 H HA . HIS A 1 16 ? -4.853 7.786 2.086 1.00 0.00 ? 16 HIS A HA 16 ATOM 23068 H HB2 . HIS A 1 16 ? -7.052 9.861 1.993 1.00 0.00 ? 16 HIS A HB2 16 ATOM 23069 H HB3 . HIS A 1 16 ? -6.875 8.640 3.250 1.00 0.00 ? 16 HIS A HB3 16 ATOM 23070 H HD1 . HIS A 1 16 ? -6.834 11.534 4.095 1.00 0.00 ? 16 HIS A HD1 16 ATOM 23071 H HD2 . HIS A 1 16 ? -3.405 9.443 3.034 1.00 0.00 ? 16 HIS A HD2 16 ATOM 23072 H HE1 . HIS A 1 16 ? -4.933 12.757 5.197 1.00 0.00 ? 16 HIS A HE1 16 ATOM 23073 H HE2 . HIS A 1 16 ? -2.861 11.523 4.471 1.00 0.00 ? 16 HIS A HE2 16 ATOM 23074 N N . GLN A 1 17 ? -7.284 7.827 -0.121 1.00 0.00 ? 17 GLN A N 16 ATOM 23075 C CA . GLN A 1 17 ? -8.254 6.991 -0.819 1.00 0.00 ? 17 GLN A CA 16 ATOM 23076 C C . GLN A 1 17 ? -7.675 5.609 -1.105 1.00 0.00 ? 17 GLN A C 16 ATOM 23077 O O . GLN A 1 17 ? -8.141 4.607 -0.563 1.00 0.00 ? 17 GLN A O 16 ATOM 23078 C CB . GLN A 1 17 ? -8.685 7.657 -2.127 1.00 0.00 ? 17 GLN A CB 16 ATOM 23079 C CG . GLN A 1 17 ? -9.572 8.874 -1.926 1.00 0.00 ? 17 GLN A CG 16 ATOM 23080 C CD . GLN A 1 17 ? -10.316 9.269 -3.186 1.00 0.00 ? 17 GLN A CD 16 ATOM 23081 O OE1 . GLN A 1 17 ? -10.713 8.415 -3.980 1.00 0.00 ? 17 GLN A OE1 16 ATOM 23082 N NE2 . GLN A 1 17 ? -10.511 10.568 -3.377 1.00 0.00 ? 17 GLN A NE2 16 ATOM 23083 H H . GLN A 1 17 ? -7.146 8.749 -0.419 1.00 0.00 ? 17 GLN A H 16 ATOM 23084 H HA . GLN A 1 17 ? -9.117 6.881 -0.180 1.00 0.00 ? 17 GLN A HA 16 ATOM 23085 H HB2 . GLN A 1 17 ? -7.803 7.966 -2.667 1.00 0.00 ? 17 GLN A HB2 16 ATOM 23086 H HB3 . GLN A 1 17 ? -9.228 6.937 -2.721 1.00 0.00 ? 17 GLN A HB3 16 ATOM 23087 H HG2 . GLN A 1 17 ? -10.295 8.654 -1.154 1.00 0.00 ? 17 GLN A HG2 16 ATOM 23088 H HG3 . GLN A 1 17 ? -8.956 9.705 -1.614 1.00 0.00 ? 17 GLN A HG3 16 ATOM 23089 H HE21 . GLN A 1 17 ? -10.166 11.191 -2.703 1.00 0.00 ? 17 GLN A HE21 16 ATOM 23090 H HE22 . GLN A 1 17 ? -10.988 10.851 -4.184 1.00 0.00 ? 17 GLN A HE22 16 ATOM 23091 N N . GLN A 1 18 ? -6.658 5.564 -1.959 1.00 0.00 ? 18 GLN A N 16 ATOM 23092 C CA . GLN A 1 18 ? -6.017 4.304 -2.317 1.00 0.00 ? 18 GLN A CA 16 ATOM 23093 C C . GLN A 1 18 ? -5.379 3.651 -1.095 1.00 0.00 ? 18 GLN A C 16 ATOM 23094 O O . GLN A 1 18 ? -5.508 2.445 -0.885 1.00 0.00 ? 18 GLN A O 16 ATOM 23095 C CB . GLN A 1 18 ? -4.959 4.535 -3.398 1.00 0.00 ? 18 GLN A CB 16 ATOM 23096 C CG . GLN A 1 18 ? -5.470 5.326 -4.591 1.00 0.00 ? 18 GLN A CG 16 ATOM 23097 C CD . GLN A 1 18 ? -6.434 4.530 -5.449 1.00 0.00 ? 18 GLN A CD 16 ATOM 23098 O OE1 . GLN A 1 18 ? -7.578 4.935 -5.658 1.00 0.00 ? 18 GLN A OE1 16 ATOM 23099 N NE2 . GLN A 1 18 ? -5.975 3.390 -5.953 1.00 0.00 ? 18 GLN A NE2 16 ATOM 23100 H H . GLN A 1 18 ? -6.331 6.397 -2.358 1.00 0.00 ? 18 GLN A H 16 ATOM 23101 H HA . GLN A 1 18 ? -6.778 3.644 -2.706 1.00 0.00 ? 18 GLN A HA 16 ATOM 23102 H HB2 . GLN A 1 18 ? -4.130 5.074 -2.964 1.00 0.00 ? 18 GLN A HB2 16 ATOM 23103 H HB3 . GLN A 1 18 ? -4.609 3.577 -3.752 1.00 0.00 ? 18 GLN A HB3 16 ATOM 23104 H HG2 . GLN A 1 18 ? -5.978 6.208 -4.230 1.00 0.00 ? 18 GLN A HG2 16 ATOM 23105 H HG3 . GLN A 1 18 ? -4.628 5.620 -5.199 1.00 0.00 ? 18 GLN A HG3 16 ATOM 23106 H HE21 . GLN A 1 18 ? -5.053 3.130 -5.743 1.00 0.00 ? 18 GLN A HE21 16 ATOM 23107 H HE22 . GLN A 1 18 ? -6.577 2.856 -6.510 1.00 0.00 ? 18 GLN A HE22 16 ATOM 23108 N N . SER A 1 19 ? -4.691 4.456 -0.292 1.00 0.00 ? 19 SER A N 16 ATOM 23109 C CA . SER A 1 19 ? -4.029 3.955 0.907 1.00 0.00 ? 19 SER A CA 16 ATOM 23110 C C . SER A 1 19 ? -4.938 2.995 1.669 1.00 0.00 ? 19 SER A C 16 ATOM 23111 O O . SER A 1 19 ? -4.517 1.908 2.065 1.00 0.00 ? 19 SER A O 16 ATOM 23112 C CB . SER A 1 19 ? -3.622 5.119 1.814 1.00 0.00 ? 19 SER A CB 16 ATOM 23113 O OG . SER A 1 19 ? -3.335 4.666 3.126 1.00 0.00 ? 19 SER A OG 16 ATOM 23114 H H . SER A 1 19 ? -4.624 5.409 -0.513 1.00 0.00 ? 19 SER A H 16 ATOM 23115 H HA . SER A 1 19 ? -3.141 3.424 0.598 1.00 0.00 ? 19 SER A HA 16 ATOM 23116 H HB2 . SER A 1 19 ? -2.743 5.596 1.410 1.00 0.00 ? 19 SER A HB2 16 ATOM 23117 H HB3 . SER A 1 19 ? -4.431 5.834 1.861 1.00 0.00 ? 19 SER A HB3 16 ATOM 23118 H HG . SER A 1 19 ? -2.870 5.354 3.607 1.00 0.00 ? 19 SER A HG 16 ATOM 23119 N N . ARG A 1 20 ? -6.186 3.406 1.869 1.00 0.00 ? 20 ARG A N 16 ATOM 23120 C CA . ARG A 1 20 ? -7.155 2.584 2.584 1.00 0.00 ? 20 ARG A CA 16 ATOM 23121 C C . ARG A 1 20 ? -7.341 1.237 1.892 1.00 0.00 ? 20 ARG A C 16 ATOM 23122 O O . ARG A 1 20 ? -7.336 0.190 2.538 1.00 0.00 ? 20 ARG A O 16 ATOM 23123 C CB . ARG A 1 20 ? -8.498 3.310 2.681 1.00 0.00 ? 20 ARG A CB 16 ATOM 23124 C CG . ARG A 1 20 ? -8.447 4.574 3.524 1.00 0.00 ? 20 ARG A CG 16 ATOM 23125 C CD . ARG A 1 20 ? -9.785 4.852 4.192 1.00 0.00 ? 20 ARG A CD 16 ATOM 23126 N NE . ARG A 1 20 ? -9.995 6.278 4.424 1.00 0.00 ? 20 ARG A NE 16 ATOM 23127 C CZ . ARG A 1 20 ? -11.099 6.780 4.966 1.00 0.00 ? 20 ARG A CZ 16 ATOM 23128 N NH1 . ARG A 1 20 ? -12.088 5.976 5.329 1.00 0.00 ? 20 ARG A NH1 16 ATOM 23129 N NH2 . ARG A 1 20 ? -11.215 8.090 5.146 1.00 0.00 ? 20 ARG A NH2 16 ATOM 23130 H H . ARG A 1 20 ? -6.462 4.283 1.529 1.00 0.00 ? 20 ARG A H 16 ATOM 23131 H HA . ARG A 1 20 ? -6.775 2.414 3.580 1.00 0.00 ? 20 ARG A HA 16 ATOM 23132 H HB2 . ARG A 1 20 ? -8.821 3.579 1.687 1.00 0.00 ? 20 ARG A HB2 16 ATOM 23133 H HB3 . ARG A 1 20 ? -9.224 2.641 3.118 1.00 0.00 ? 20 ARG A HB3 16 ATOM 23134 H HG2 . ARG A 1 20 ? -7.694 4.456 4.289 1.00 0.00 ? 20 ARG A HG2 16 ATOM 23135 H HG3 . ARG A 1 20 ? -8.191 5.408 2.889 1.00 0.00 ? 20 ARG A HG3 16 ATOM 23136 H HD2 . ARG A 1 20 ? -10.574 4.481 3.555 1.00 0.00 ? 20 ARG A HD2 16 ATOM 23137 H HD3 . ARG A 1 20 ? -9.814 4.334 5.138 1.00 0.00 ? 20 ARG A HD3 16 ATOM 23138 H HE . ARG A 1 20 ? -9.276 6.891 4.163 1.00 0.00 ? 20 ARG A HE 16 ATOM 23139 H HH11 . ARG A 1 20 ? -12.003 4.988 5.196 1.00 0.00 ? 20 ARG A HH11 16 ATOM 23140 H HH12 . ARG A 1 20 ? -12.918 6.356 5.738 1.00 0.00 ? 20 ARG A HH12 16 ATOM 23141 H HH21 . ARG A 1 20 ? -10.471 8.700 4.873 1.00 0.00 ? 20 ARG A HH21 16 ATOM 23142 H HH22 . ARG A 1 20 ? -12.046 8.467 5.553 1.00 0.00 ? 20 ARG A HH22 16 ATOM 23143 N N . ARG A 1 21 ? -7.506 1.273 0.573 1.00 0.00 ? 21 ARG A N 16 ATOM 23144 C CA . ARG A 1 21 ? -7.695 0.056 -0.206 1.00 0.00 ? 21 ARG A CA 16 ATOM 23145 C C . ARG A 1 21 ? -6.685 -1.013 0.199 1.00 0.00 ? 21 ARG A C 16 ATOM 23146 O O . ARG A 1 21 ? -7.058 -2.124 0.574 1.00 0.00 ? 21 ARG A O 16 ATOM 23147 C CB . ARG A 1 21 ? -7.564 0.356 -1.701 1.00 0.00 ? 21 ARG A CB 16 ATOM 23148 C CG . ARG A 1 21 ? -8.412 -0.547 -2.581 1.00 0.00 ? 21 ARG A CG 16 ATOM 23149 C CD . ARG A 1 21 ? -8.850 0.165 -3.851 1.00 0.00 ? 21 ARG A CD 16 ATOM 23150 N NE . ARG A 1 21 ? -9.326 1.519 -3.584 1.00 0.00 ? 21 ARG A NE 16 ATOM 23151 C CZ . ARG A 1 21 ? -9.467 2.448 -4.523 1.00 0.00 ? 21 ARG A CZ 16 ATOM 23152 N NH1 . ARG A 1 21 ? -9.169 2.169 -5.785 1.00 0.00 ? 21 ARG A NH1 16 ATOM 23153 N NH2 . ARG A 1 21 ? -9.906 3.658 -4.201 1.00 0.00 ? 21 ARG A NH2 16 ATOM 23154 H H . ARG A 1 21 ? -7.500 2.139 0.114 1.00 0.00 ? 21 ARG A H 16 ATOM 23155 H HA . ARG A 1 21 ? -8.691 -0.313 -0.009 1.00 0.00 ? 21 ARG A HA 16 ATOM 23156 H HB2 . ARG A 1 21 ? -7.863 1.379 -1.878 1.00 0.00 ? 21 ARG A HB2 16 ATOM 23157 H HB3 . ARG A 1 21 ? -6.531 0.237 -1.990 1.00 0.00 ? 21 ARG A HB3 16 ATOM 23158 H HG2 . ARG A 1 21 ? -7.833 -1.418 -2.851 1.00 0.00 ? 21 ARG A HG2 16 ATOM 23159 H HG3 . ARG A 1 21 ? -9.289 -0.852 -2.028 1.00 0.00 ? 21 ARG A HG3 16 ATOM 23160 H HD2 . ARG A 1 21 ? -8.010 0.216 -4.527 1.00 0.00 ? 21 ARG A HD2 16 ATOM 23161 H HD3 . ARG A 1 21 ? -9.646 -0.403 -4.309 1.00 0.00 ? 21 ARG A HD3 16 ATOM 23162 H HE . ARG A 1 21 ? -9.552 1.746 -2.658 1.00 0.00 ? 21 ARG A HE 16 ATOM 23163 H HH11 . ARG A 1 21 ? -8.839 1.258 -6.030 1.00 0.00 ? 21 ARG A HH11 16 ATOM 23164 H HH12 . ARG A 1 21 ? -9.277 2.870 -6.490 1.00 0.00 ? 21 ARG A HH12 16 ATOM 23165 H HH21 . ARG A 1 21 ? -10.131 3.871 -3.251 1.00 0.00 ? 21 ARG A HH21 16 ATOM 23166 H HH22 . ARG A 1 21 ? -10.011 4.356 -4.908 1.00 0.00 ? 21 ARG A HH22 16 ATOM 23167 N N . ALA A 1 22 ? -5.404 -0.669 0.121 1.00 0.00 ? 22 ALA A N 16 ATOM 23168 C CA . ALA A 1 22 ? -4.340 -1.597 0.481 1.00 0.00 ? 22 ALA A CA 16 ATOM 23169 C C . ALA A 1 22 ? -4.716 -2.411 1.715 1.00 0.00 ? 22 ALA A C 16 ATOM 23170 O O . ALA A 1 22 ? -4.214 -3.517 1.917 1.00 0.00 ? 22 ALA A O 16 ATOM 23171 C CB . ALA A 1 22 ? -3.039 -0.844 0.720 1.00 0.00 ? 22 ALA A CB 16 ATOM 23172 H H . ALA A 1 22 ? -5.169 0.232 -0.185 1.00 0.00 ? 22 ALA A H 16 ATOM 23173 H HA . ALA A 1 22 ? -4.189 -2.271 -0.350 1.00 0.00 ? 22 ALA A HA 16 ATOM 23174 H HB1 . ALA A 1 22 ? -3.261 0.146 1.092 1.00 0.00 ? 22 ALA A HB1 16 ATOM 23175 H HB2 . ALA A 1 22 ? -2.443 -1.377 1.445 1.00 0.00 ? 22 ALA A HB2 16 ATOM 23176 H HB3 . ALA A 1 22 ? -2.494 -0.765 -0.209 1.00 0.00 ? 22 ALA A HB3 16 ATOM 23177 N N . ASP A 1 23 ? -5.599 -1.856 2.537 1.00 0.00 ? 23 ASP A N 16 ATOM 23178 C CA . ASP A 1 23 ? -6.043 -2.531 3.751 1.00 0.00 ? 23 ASP A CA 16 ATOM 23179 C C . ASP A 1 23 ? -7.010 -3.664 3.421 1.00 0.00 ? 23 ASP A C 16 ATOM 23180 O O . ASP A 1 23 ? -6.729 -4.832 3.691 1.00 0.00 ? 23 ASP A O 16 ATOM 23181 C CB . ASP A 1 23 ? -6.710 -1.534 4.699 1.00 0.00 ? 23 ASP A CB 16 ATOM 23182 C CG . ASP A 1 23 ? -6.704 -2.010 6.139 1.00 0.00 ? 23 ASP A CG 16 ATOM 23183 O OD1 . ASP A 1 23 ? -5.629 -2.420 6.624 1.00 0.00 ? 23 ASP A OD1 16 ATOM 23184 O OD2 . ASP A 1 23 ? -7.775 -1.973 6.780 1.00 0.00 ? 23 ASP A OD2 16 ATOM 23185 H H . ASP A 1 23 ? -5.963 -0.972 2.321 1.00 0.00 ? 23 ASP A H 16 ATOM 23186 H HA . ASP A 1 23 ? -5.173 -2.947 4.236 1.00 0.00 ? 23 ASP A HA 16 ATOM 23187 H HB2 . ASP A 1 23 ? -6.184 -0.592 4.650 1.00 0.00 ? 23 ASP A HB2 16 ATOM 23188 H HB3 . ASP A 1 23 ? -7.735 -1.386 4.392 1.00 0.00 ? 23 ASP A HB3 16 ATOM 23189 N N . ARG A 1 24 ? -8.150 -3.311 2.837 1.00 0.00 ? 24 ARG A N 16 ATOM 23190 C CA . ARG A 1 24 ? -9.159 -4.297 2.472 1.00 0.00 ? 24 ARG A CA 16 ATOM 23191 C C . ARG A 1 24 ? -8.543 -5.429 1.655 1.00 0.00 ? 24 ARG A C 16 ATOM 23192 O O . ARG A 1 24 ? -9.037 -6.558 1.666 1.00 0.00 ? 24 ARG A O 16 ATOM 23193 C CB . ARG A 1 24 ? -10.286 -3.635 1.677 1.00 0.00 ? 24 ARG A CB 16 ATOM 23194 C CG . ARG A 1 24 ? -11.172 -2.728 2.516 1.00 0.00 ? 24 ARG A CG 16 ATOM 23195 C CD . ARG A 1 24 ? -12.096 -3.531 3.418 1.00 0.00 ? 24 ARG A CD 16 ATOM 23196 N NE . ARG A 1 24 ? -13.056 -4.322 2.654 1.00 0.00 ? 24 ARG A NE 16 ATOM 23197 C CZ . ARG A 1 24 ? -14.065 -3.793 1.970 1.00 0.00 ? 24 ARG A CZ 16 ATOM 23198 N NH1 . ARG A 1 24 ? -14.244 -2.480 1.956 1.00 0.00 ? 24 ARG A NH1 16 ATOM 23199 N NH2 . ARG A 1 24 ? -14.897 -4.579 1.299 1.00 0.00 ? 24 ARG A NH2 16 ATOM 23200 H H . ARG A 1 24 ? -8.316 -2.364 2.647 1.00 0.00 ? 24 ARG A H 16 ATOM 23201 H HA . ARG A 1 24 ? -9.567 -4.708 3.384 1.00 0.00 ? 24 ARG A HA 16 ATOM 23202 H HB2 . ARG A 1 24 ? -9.853 -3.045 0.883 1.00 0.00 ? 24 ARG A HB2 16 ATOM 23203 H HB3 . ARG A 1 24 ? -10.906 -4.406 1.244 1.00 0.00 ? 24 ARG A HB3 16 ATOM 23204 H HG2 . ARG A 1 24 ? -10.546 -2.097 3.130 1.00 0.00 ? 24 ARG A HG2 16 ATOM 23205 H HG3 . ARG A 1 24 ? -11.769 -2.115 1.857 1.00 0.00 ? 24 ARG A HG3 16 ATOM 23206 H HD2 . ARG A 1 24 ? -11.498 -4.195 4.024 1.00 0.00 ? 24 ARG A HD2 16 ATOM 23207 H HD3 . ARG A 1 24 ? -12.634 -2.848 4.058 1.00 0.00 ? 24 ARG A HD3 16 ATOM 23208 H HE . ARG A 1 24 ? -12.942 -5.295 2.651 1.00 0.00 ? 24 ARG A HE 16 ATOM 23209 H HH11 . ARG A 1 24 ? -13.618 -1.885 2.460 1.00 0.00 ? 24 ARG A HH11 16 ATOM 23210 H HH12 . ARG A 1 24 ? -15.004 -2.084 1.439 1.00 0.00 ? 24 ARG A HH12 16 ATOM 23211 H HH21 . ARG A 1 24 ? -14.765 -5.570 1.307 1.00 0.00 ? 24 ARG A HH21 16 ATOM 23212 H HH22 . ARG A 1 24 ? -15.656 -4.181 0.785 1.00 0.00 ? 24 ARG A HH22 16 ATOM 23213 N N . LEU A 1 25 ? -7.462 -5.121 0.948 1.00 0.00 ? 25 LEU A N 16 ATOM 23214 C CA . LEU A 1 25 ? -6.778 -6.111 0.124 1.00 0.00 ? 25 LEU A CA 16 ATOM 23215 C C . LEU A 1 25 ? -5.855 -6.981 0.972 1.00 0.00 ? 25 LEU A C 16 ATOM 23216 O O . LEU A 1 25 ? -5.782 -8.196 0.782 1.00 0.00 ? 25 LEU A O 16 ATOM 23217 C CB . LEU A 1 25 ? -5.974 -5.420 -0.978 1.00 0.00 ? 25 LEU A CB 16 ATOM 23218 C CG . LEU A 1 25 ? -6.787 -4.817 -2.124 1.00 0.00 ? 25 LEU A CG 16 ATOM 23219 C CD1 . LEU A 1 25 ? -5.934 -3.854 -2.936 1.00 0.00 ? 25 LEU A CD1 16 ATOM 23220 C CD2 . LEU A 1 25 ? -7.349 -5.915 -3.015 1.00 0.00 ? 25 LEU A CD2 16 ATOM 23221 H H . LEU A 1 25 ? -7.115 -4.205 0.979 1.00 0.00 ? 25 LEU A H 16 ATOM 23222 H HA . LEU A 1 25 ? -7.529 -6.741 -0.330 1.00 0.00 ? 25 LEU A HA 16 ATOM 23223 H HB2 . LEU A 1 25 ? -5.405 -4.624 -0.523 1.00 0.00 ? 25 LEU A HB2 16 ATOM 23224 H HB3 . LEU A 1 25 ? -5.297 -6.149 -1.400 1.00 0.00 ? 25 LEU A HB3 16 ATOM 23225 H HG . LEU A 1 25 ? -7.618 -4.261 -1.714 1.00 0.00 ? 25 LEU A HG 16 ATOM 23226 H HD11 . LEU A 1 25 ? -5.972 -2.874 -2.487 1.00 0.00 ? 25 LEU A HD11 16 ATOM 23227 H HD12 . LEU A 1 25 ? -6.311 -3.803 -3.946 1.00 0.00 ? 25 LEU A HD12 16 ATOM 23228 H HD13 . LEU A 1 25 ? -4.912 -4.205 -2.951 1.00 0.00 ? 25 LEU A HD13 16 ATOM 23229 H HD21 . LEU A 1 25 ? -7.359 -5.576 -4.041 1.00 0.00 ? 25 LEU A HD21 16 ATOM 23230 H HD22 . LEU A 1 25 ? -8.356 -6.151 -2.704 1.00 0.00 ? 25 LEU A HD22 16 ATOM 23231 H HD23 . LEU A 1 25 ? -6.730 -6.797 -2.933 1.00 0.00 ? 25 LEU A HD23 16 ATOM 23232 N N . LEU A 1 26 ? -5.155 -6.352 1.910 1.00 0.00 ? 26 LEU A N 16 ATOM 23233 C CA . LEU A 1 26 ? -4.239 -7.069 2.790 1.00 0.00 ? 26 LEU A CA 16 ATOM 23234 C C . LEU A 1 26 ? -4.977 -8.134 3.594 1.00 0.00 ? 26 LEU A C 16 ATOM 23235 O O . LEU A 1 26 ? -4.441 -9.210 3.858 1.00 0.00 ? 26 LEU A O 16 ATOM 23236 C CB . LEU A 1 26 ? -3.541 -6.091 3.737 1.00 0.00 ? 26 LEU A CB 16 ATOM 23237 C CG . LEU A 1 26 ? -2.934 -6.700 5.002 1.00 0.00 ? 26 LEU A CG 16 ATOM 23238 C CD1 . LEU A 1 26 ? -1.614 -7.385 4.685 1.00 0.00 ? 26 LEU A CD1 16 ATOM 23239 C CD2 . LEU A 1 26 ? -2.739 -5.630 6.067 1.00 0.00 ? 26 LEU A CD2 16 ATOM 23240 H H . LEU A 1 26 ? -5.256 -5.384 2.014 1.00 0.00 ? 26 LEU A H 16 ATOM 23241 H HA . LEU A 1 26 ? -3.496 -7.552 2.173 1.00 0.00 ? 26 LEU A HA 16 ATOM 23242 H HB2 . LEU A 1 26 ? -2.746 -5.610 3.188 1.00 0.00 ? 26 LEU A HB2 16 ATOM 23243 H HB3 . LEU A 1 26 ? -4.267 -5.350 4.040 1.00 0.00 ? 26 LEU A HB3 16 ATOM 23244 H HG . LEU A 1 26 ? -3.611 -7.446 5.396 1.00 0.00 ? 26 LEU A HG 16 ATOM 23245 H HD11 . LEU A 1 26 ? -1.193 -6.957 3.788 1.00 0.00 ? 26 LEU A HD11 16 ATOM 23246 H HD12 . LEU A 1 26 ? -1.784 -8.441 4.534 1.00 0.00 ? 26 LEU A HD12 16 ATOM 23247 H HD13 . LEU A 1 26 ? -0.929 -7.246 5.508 1.00 0.00 ? 26 LEU A HD13 16 ATOM 23248 H HD21 . LEU A 1 26 ? -2.613 -6.102 7.031 1.00 0.00 ? 26 LEU A HD21 16 ATOM 23249 H HD22 . LEU A 1 26 ? -3.606 -4.986 6.093 1.00 0.00 ? 26 LEU A HD22 16 ATOM 23250 H HD23 . LEU A 1 26 ? -1.862 -5.046 5.834 1.00 0.00 ? 26 LEU A HD23 16 ATOM 23251 N N . ALA A 1 27 ? -6.212 -7.828 3.979 1.00 0.00 ? 27 ALA A N 16 ATOM 23252 C CA . ALA A 1 27 ? -7.025 -8.760 4.749 1.00 0.00 ? 27 ALA A CA 16 ATOM 23253 C C . ALA A 1 27 ? -7.430 -9.963 3.904 1.00 0.00 ? 27 ALA A C 16 ATOM 23254 O O . ALA A 1 27 ? -7.692 -11.044 4.431 1.00 0.00 ? 27 ALA A O 16 ATOM 23255 C CB . ALA A 1 27 ? -8.259 -8.057 5.296 1.00 0.00 ? 27 ALA A CB 16 ATOM 23256 H H . ALA A 1 27 ? -6.584 -6.954 3.738 1.00 0.00 ? 27 ALA A H 16 ATOM 23257 H HA . ALA A 1 27 ? -6.436 -9.104 5.588 1.00 0.00 ? 27 ALA A HA 16 ATOM 23258 H HB1 . ALA A 1 27 ? -8.546 -7.261 4.624 1.00 0.00 ? 27 ALA A HB1 16 ATOM 23259 H HB2 . ALA A 1 27 ? -9.069 -8.766 5.381 1.00 0.00 ? 27 ALA A HB2 16 ATOM 23260 H HB3 . ALA A 1 27 ? -8.037 -7.645 6.268 1.00 0.00 ? 27 ALA A HB3 16 ATOM 23261 N N . ALA A 1 28 ? -7.480 -9.768 2.590 1.00 0.00 ? 28 ALA A N 16 ATOM 23262 C CA . ALA A 1 28 ? -7.852 -10.837 1.673 1.00 0.00 ? 28 ALA A CA 16 ATOM 23263 C C . ALA A 1 28 ? -6.618 -11.553 1.135 1.00 0.00 ? 28 ALA A C 16 ATOM 23264 O O . ALA A 1 28 ? -6.697 -12.304 0.164 1.00 0.00 ? 28 ALA A O 16 ATOM 23265 C CB . ALA A 1 28 ? -8.684 -10.283 0.526 1.00 0.00 ? 28 ALA A CB 16 ATOM 23266 H H . ALA A 1 28 ? -7.260 -8.883 2.230 1.00 0.00 ? 28 ALA A H 16 ATOM 23267 H HA . ALA A 1 28 ? -8.460 -11.547 2.216 1.00 0.00 ? 28 ALA A HA 16 ATOM 23268 H HB1 . ALA A 1 28 ? -8.142 -9.483 0.043 1.00 0.00 ? 28 ALA A HB1 16 ATOM 23269 H HB2 . ALA A 1 28 ? -8.881 -11.068 -0.188 1.00 0.00 ? 28 ALA A HB2 16 ATOM 23270 H HB3 . ALA A 1 28 ? -9.619 -9.903 0.911 1.00 0.00 ? 28 ALA A HB3 16 ATOM 23271 N N . GLY A 1 29 ? -5.476 -11.315 1.773 1.00 0.00 ? 29 GLY A N 16 ATOM 23272 C CA . GLY A 1 29 ? -4.241 -11.944 1.344 1.00 0.00 ? 29 GLY A CA 16 ATOM 23273 C C . GLY A 1 29 ? -3.778 -11.447 -0.011 1.00 0.00 ? 29 GLY A C 16 ATOM 23274 O O . GLY A 1 29 ? -2.922 -12.063 -0.648 1.00 0.00 ? 29 GLY A O 16 ATOM 23275 H H . GLY A 1 29 ? -5.472 -10.707 2.542 1.00 0.00 ? 29 GLY A H 16 ATOM 23276 H HA2 . GLY A 1 29 ? -3.472 -11.738 2.073 1.00 0.00 ? 29 GLY A HA2 16 ATOM 23277 H HA3 . GLY A 1 29 ? -4.394 -13.012 1.289 1.00 0.00 ? 29 GLY A HA3 16 ATOM 23278 N N . LYS A 1 30 ? -4.344 -10.331 -0.456 1.00 0.00 ? 30 LYS A N 16 ATOM 23279 C CA . LYS A 1 30 ? -3.986 -9.750 -1.744 1.00 0.00 ? 30 LYS A CA 16 ATOM 23280 C C . LYS A 1 30 ? -2.790 -8.814 -1.606 1.00 0.00 ? 30 LYS A C 16 ATOM 23281 O O . LYS A 1 30 ? -2.794 -7.703 -2.136 1.00 0.00 ? 30 LYS A O 16 ATOM 23282 C CB . LYS A 1 30 ? -5.176 -8.990 -2.333 1.00 0.00 ? 30 LYS A CB 16 ATOM 23283 C CG . LYS A 1 30 ? -6.449 -9.816 -2.408 1.00 0.00 ? 30 LYS A CG 16 ATOM 23284 C CD . LYS A 1 30 ? -6.556 -10.558 -3.730 1.00 0.00 ? 30 LYS A CD 16 ATOM 23285 C CE . LYS A 1 30 ? -8.004 -10.856 -4.087 1.00 0.00 ? 30 LYS A CE 16 ATOM 23286 N NZ . LYS A 1 30 ? -8.449 -12.171 -3.547 1.00 0.00 ? 30 LYS A NZ 16 ATOM 23287 H H . LYS A 1 30 ? -5.021 -9.885 0.098 1.00 0.00 ? 30 LYS A H 16 ATOM 23288 H HA . LYS A 1 30 ? -3.721 -10.558 -2.410 1.00 0.00 ? 30 LYS A HA 16 ATOM 23289 H HB2 . LYS A 1 30 ? -5.371 -8.121 -1.722 1.00 0.00 ? 30 LYS A HB2 16 ATOM 23290 H HB3 . LYS A 1 30 ? -4.923 -8.667 -3.333 1.00 0.00 ? 30 LYS A HB3 16 ATOM 23291 H HG2 . LYS A 1 30 ? -6.448 -10.536 -1.603 1.00 0.00 ? 30 LYS A HG2 16 ATOM 23292 H HG3 . LYS A 1 30 ? -7.300 -9.159 -2.305 1.00 0.00 ? 30 LYS A HG3 16 ATOM 23293 H HD2 . LYS A 1 30 ? -6.122 -9.950 -4.510 1.00 0.00 ? 30 LYS A HD2 16 ATOM 23294 H HD3 . LYS A 1 30 ? -6.013 -11.490 -3.655 1.00 0.00 ? 30 LYS A HD3 16 ATOM 23295 H HE2 . LYS A 1 30 ? -8.629 -10.078 -3.677 1.00 0.00 ? 30 LYS A HE2 16 ATOM 23296 H HE3 . LYS A 1 30 ? -8.101 -10.866 -5.162 1.00 0.00 ? 30 LYS A HE3 16 ATOM 23297 H HZ1 . LYS A 1 30 ? -8.548 -12.117 -2.513 1.00 0.00 ? 30 LYS A HZ1 16 ATOM 23298 H HZ2 . LYS A 1 30 ? -7.751 -12.906 -3.779 1.00 0.00 ? 30 LYS A HZ2 16 ATOM 23299 H HZ3 . LYS A 1 30 ? -9.366 -12.435 -3.960 1.00 0.00 ? 30 LYS A HZ3 16 ATOM 23300 N N . TYR A 1 31 ? -1.767 -9.270 -0.891 1.00 0.00 ? 31 TYR A N 16 ATOM 23301 C CA . TYR A 1 31 ? -0.565 -8.473 -0.682 1.00 0.00 ? 31 TYR A CA 16 ATOM 23302 C C . TYR A 1 31 ? -0.242 -7.640 -1.919 1.00 0.00 ? 31 TYR A C 16 ATOM 23303 O O . TYR A 1 31 ? -0.285 -6.411 -1.880 1.00 0.00 ? 31 TYR A O 16 ATOM 23304 C CB . TYR A 1 31 ? 0.620 -9.378 -0.340 1.00 0.00 ? 31 TYR A CB 16 ATOM 23305 C CG . TYR A 1 31 ? 0.416 -10.194 0.917 1.00 0.00 ? 31 TYR A CG 16 ATOM 23306 C CD1 . TYR A 1 31 ? 0.651 -9.644 2.171 1.00 0.00 ? 31 TYR A CD1 16 ATOM 23307 C CD2 . TYR A 1 31 ? -0.011 -11.514 0.850 1.00 0.00 ? 31 TYR A CD2 16 ATOM 23308 C CE1 . TYR A 1 31 ? 0.466 -10.385 3.322 1.00 0.00 ? 31 TYR A CE1 16 ATOM 23309 C CE2 . TYR A 1 31 ? -0.200 -12.262 1.996 1.00 0.00 ? 31 TYR A CE2 16 ATOM 23310 C CZ . TYR A 1 31 ? 0.040 -11.694 3.229 1.00 0.00 ? 31 TYR A CZ 16 ATOM 23311 O OH . TYR A 1 31 ? -0.145 -12.436 4.373 1.00 0.00 ? 31 TYR A OH 16 ATOM 23312 H H . TYR A 1 31 ? -1.823 -10.164 -0.493 1.00 0.00 ? 31 TYR A H 16 ATOM 23313 H HA . TYR A 1 31 ? -0.748 -7.807 0.149 1.00 0.00 ? 31 TYR A HA 16 ATOM 23314 H HB2 . TYR A 1 31 ? 0.787 -10.064 -1.156 1.00 0.00 ? 31 TYR A HB2 16 ATOM 23315 H HB3 . TYR A 1 31 ? 1.501 -8.769 -0.201 1.00 0.00 ? 31 TYR A HB3 16 ATOM 23316 H HD1 . TYR A 1 31 ? 0.984 -8.618 2.240 1.00 0.00 ? 31 TYR A HD1 16 ATOM 23317 H HD2 . TYR A 1 31 ? -0.198 -11.957 -0.118 1.00 0.00 ? 31 TYR A HD2 16 ATOM 23318 H HE1 . TYR A 1 31 ? 0.654 -9.940 4.288 1.00 0.00 ? 31 TYR A HE1 16 ATOM 23319 H HE2 . TYR A 1 31 ? -0.533 -13.287 1.923 1.00 0.00 ? 31 TYR A HE2 16 ATOM 23320 H HH . TYR A 1 31 ? -0.248 -11.847 5.124 1.00 0.00 ? 31 TYR A HH 16 ATOM 23321 N N . GLU A 1 32 ? 0.081 -8.319 -3.015 1.00 0.00 ? 32 GLU A N 16 ATOM 23322 C CA . GLU A 1 32 ? 0.412 -7.642 -4.263 1.00 0.00 ? 32 GLU A CA 16 ATOM 23323 C C . GLU A 1 32 ? -0.575 -6.513 -4.547 1.00 0.00 ? 32 GLU A C 16 ATOM 23324 O O . GLU A 1 32 ? -0.186 -5.352 -4.668 1.00 0.00 ? 32 GLU A O 16 ATOM 23325 C CB . GLU A 1 32 ? 0.411 -8.638 -5.425 1.00 0.00 ? 32 GLU A CB 16 ATOM 23326 C CG . GLU A 1 32 ? -0.451 -9.864 -5.175 1.00 0.00 ? 32 GLU A CG 16 ATOM 23327 C CD . GLU A 1 32 ? -0.713 -10.660 -6.439 1.00 0.00 ? 32 GLU A CD 16 ATOM 23328 O OE1 . GLU A 1 32 ? 0.243 -10.873 -7.214 1.00 0.00 ? 32 GLU A OE1 16 ATOM 23329 O OE2 . GLU A 1 32 ? -1.874 -11.068 -6.654 1.00 0.00 ? 32 GLU A OE2 16 ATOM 23330 H H . GLU A 1 32 ? 0.098 -9.299 -2.983 1.00 0.00 ? 32 GLU A H 16 ATOM 23331 H HA . GLU A 1 32 ? 1.401 -7.223 -4.161 1.00 0.00 ? 32 GLU A HA 16 ATOM 23332 H HB2 . GLU A 1 32 ? 0.046 -8.140 -6.311 1.00 0.00 ? 32 GLU A HB2 16 ATOM 23333 H HB3 . GLU A 1 32 ? 1.425 -8.967 -5.600 1.00 0.00 ? 32 GLU A HB3 16 ATOM 23334 H HG2 . GLU A 1 32 ? 0.051 -10.503 -4.464 1.00 0.00 ? 32 GLU A HG2 16 ATOM 23335 H HG3 . GLU A 1 32 ? -1.398 -9.545 -4.765 1.00 0.00 ? 32 GLU A HG3 16 ATOM 23336 N N . GLU A 1 33 ? -1.853 -6.864 -4.653 1.00 0.00 ? 33 GLU A N 16 ATOM 23337 C CA . GLU A 1 33 ? -2.894 -5.880 -4.924 1.00 0.00 ? 33 GLU A CA 16 ATOM 23338 C C . GLU A 1 33 ? -2.692 -4.626 -4.078 1.00 0.00 ? 33 GLU A C 16 ATOM 23339 O O . GLU A 1 33 ? -2.910 -3.508 -4.544 1.00 0.00 ? 33 GLU A O 16 ATOM 23340 C CB . GLU A 1 33 ? -4.276 -6.478 -4.648 1.00 0.00 ? 33 GLU A CB 16 ATOM 23341 C CG . GLU A 1 33 ? -4.604 -7.680 -5.518 1.00 0.00 ? 33 GLU A CG 16 ATOM 23342 C CD . GLU A 1 33 ? -4.215 -7.473 -6.969 1.00 0.00 ? 33 GLU A CD 16 ATOM 23343 O OE1 . GLU A 1 33 ? -4.547 -6.405 -7.525 1.00 0.00 ? 33 GLU A OE1 16 ATOM 23344 O OE2 . GLU A 1 33 ? -3.580 -8.379 -7.548 1.00 0.00 ? 33 GLU A OE2 16 ATOM 23345 H H . GLU A 1 33 ? -2.101 -7.806 -4.547 1.00 0.00 ? 33 GLU A H 16 ATOM 23346 H HA . GLU A 1 33 ? -2.831 -5.610 -5.967 1.00 0.00 ? 33 GLU A HA 16 ATOM 23347 H HB2 . GLU A 1 33 ? -4.322 -6.784 -3.613 1.00 0.00 ? 33 GLU A HB2 16 ATOM 23348 H HB3 . GLU A 1 33 ? -5.024 -5.719 -4.823 1.00 0.00 ? 33 GLU A HB3 16 ATOM 23349 H HG2 . GLU A 1 33 ? -4.071 -8.539 -5.138 1.00 0.00 ? 33 GLU A HG2 16 ATOM 23350 H HG3 . GLU A 1 33 ? -5.666 -7.865 -5.467 1.00 0.00 ? 33 GLU A HG3 16 ATOM 23351 N N . ALA A 1 34 ? -2.275 -4.822 -2.831 1.00 0.00 ? 34 ALA A N 16 ATOM 23352 C CA . ALA A 1 34 ? -2.042 -3.708 -1.920 1.00 0.00 ? 34 ALA A CA 16 ATOM 23353 C C . ALA A 1 34 ? -0.723 -3.009 -2.234 1.00 0.00 ? 34 ALA A C 16 ATOM 23354 O O . ALA A 1 34 ? -0.602 -1.794 -2.078 1.00 0.00 ? 34 ALA A O 16 ATOM 23355 C CB . ALA A 1 34 ? -2.053 -4.195 -0.478 1.00 0.00 ? 34 ALA A CB 16 ATOM 23356 H H . ALA A 1 34 ? -2.118 -5.737 -2.518 1.00 0.00 ? 34 ALA A H 16 ATOM 23357 H HA . ALA A 1 34 ? -2.850 -3.002 -2.043 1.00 0.00 ? 34 ALA A HA 16 ATOM 23358 H HB1 . ALA A 1 34 ? -2.830 -3.680 0.068 1.00 0.00 ? 34 ALA A HB1 16 ATOM 23359 H HB2 . ALA A 1 34 ? -2.243 -5.257 -0.459 1.00 0.00 ? 34 ALA A HB2 16 ATOM 23360 H HB3 . ALA A 1 34 ? -1.096 -3.990 -0.022 1.00 0.00 ? 34 ALA A HB3 16 ATOM 23361 N N . ILE A 1 35 ? 0.262 -3.784 -2.675 1.00 0.00 ? 35 ILE A N 16 ATOM 23362 C CA . ILE A 1 35 ? 1.571 -3.238 -3.011 1.00 0.00 ? 35 ILE A CA 16 ATOM 23363 C C . ILE A 1 35 ? 1.453 -2.120 -4.041 1.00 0.00 ? 35 ILE A C 16 ATOM 23364 O O . ILE A 1 35 ? 2.004 -1.034 -3.859 1.00 0.00 ? 35 ILE A O 16 ATOM 23365 C CB . ILE A 1 35 ? 2.512 -4.327 -3.559 1.00 0.00 ? 35 ILE A CB 16 ATOM 23366 C CG1 . ILE A 1 35 ? 2.790 -5.380 -2.483 1.00 0.00 ? 35 ILE A CG1 16 ATOM 23367 C CG2 . ILE A 1 35 ? 3.811 -3.707 -4.049 1.00 0.00 ? 35 ILE A CG2 16 ATOM 23368 C CD1 . ILE A 1 35 ? 3.428 -6.641 -3.023 1.00 0.00 ? 35 ILE A CD1 16 ATOM 23369 H H . ILE A 1 35 ? 0.104 -4.745 -2.779 1.00 0.00 ? 35 ILE A H 16 ATOM 23370 H HA . ILE A 1 35 ? 2.006 -2.836 -2.107 1.00 0.00 ? 35 ILE A HA 16 ATOM 23371 H HB . ILE A 1 35 ? 2.027 -4.801 -4.399 1.00 0.00 ? 35 ILE A HB 16 ATOM 23372 H HG12 . ILE A 1 35 ? 3.454 -4.963 -1.743 1.00 0.00 ? 35 ILE A HG12 16 ATOM 23373 H HG13 . ILE A 1 35 ? 1.858 -5.655 -2.010 1.00 0.00 ? 35 ILE A HG13 16 ATOM 23374 H HG21 . ILE A 1 35 ? 3.937 -3.919 -5.101 1.00 0.00 ? 35 ILE A HG21 16 ATOM 23375 H HG22 . ILE A 1 35 ? 3.779 -2.638 -3.899 1.00 0.00 ? 35 ILE A HG22 16 ATOM 23376 H HG23 . ILE A 1 35 ? 4.640 -4.124 -3.497 1.00 0.00 ? 35 ILE A HG23 16 ATOM 23377 H HD11 . ILE A 1 35 ? 2.816 -7.492 -2.768 1.00 0.00 ? 35 ILE A HD11 16 ATOM 23378 H HD12 . ILE A 1 35 ? 3.518 -6.569 -4.096 1.00 0.00 ? 35 ILE A HD12 16 ATOM 23379 H HD13 . ILE A 1 35 ? 4.410 -6.761 -2.587 1.00 0.00 ? 35 ILE A HD13 16 ATOM 23380 N N . SER A 1 36 ? 0.728 -2.392 -5.121 1.00 0.00 ? 36 SER A N 16 ATOM 23381 C CA . SER A 1 36 ? 0.538 -1.409 -6.182 1.00 0.00 ? 36 SER A CA 16 ATOM 23382 C C . SER A 1 36 ? -0.303 -0.235 -5.690 1.00 0.00 ? 36 SER A C 16 ATOM 23383 O O . SER A 1 36 ? 0.011 0.925 -5.962 1.00 0.00 ? 36 SER A O 16 ATOM 23384 C CB . SER A 1 36 ? -0.132 -2.059 -7.394 1.00 0.00 ? 36 SER A CB 16 ATOM 23385 O OG . SER A 1 36 ? -1.367 -2.654 -7.036 1.00 0.00 ? 36 SER A OG 16 ATOM 23386 H H . SER A 1 36 ? 0.313 -3.276 -5.208 1.00 0.00 ? 36 SER A H 16 ATOM 23387 H HA . SER A 1 36 ? 1.512 -1.043 -6.472 1.00 0.00 ? 36 SER A HA 16 ATOM 23388 H HB2 . SER A 1 36 ? -0.313 -1.307 -8.147 1.00 0.00 ? 36 SER A HB2 16 ATOM 23389 H HB3 . SER A 1 36 ? 0.520 -2.821 -7.796 1.00 0.00 ? 36 SER A HB3 16 ATOM 23390 H HG . SER A 1 36 ? -1.202 -3.447 -6.520 1.00 0.00 ? 36 SER A HG 16 ATOM 23391 N N . CYS A 1 37 ? -1.373 -0.544 -4.966 1.00 0.00 ? 37 CYS A N 16 ATOM 23392 C CA . CYS A 1 37 ? -2.261 0.485 -4.436 1.00 0.00 ? 37 CYS A CA 16 ATOM 23393 C C . CYS A 1 37 ? -1.465 1.588 -3.747 1.00 0.00 ? 37 CYS A C 16 ATOM 23394 O O . CYS A 1 37 ? -1.894 2.741 -3.700 1.00 0.00 ? 37 CYS A O 16 ATOM 23395 C CB . CYS A 1 37 ? -3.259 -0.130 -3.455 1.00 0.00 ? 37 CYS A CB 16 ATOM 23396 S SG . CYS A 1 37 ? -4.505 -1.186 -4.232 1.00 0.00 ? 37 CYS A SG 16 ATOM 23397 H H . CYS A 1 37 ? -1.571 -1.486 -4.783 1.00 0.00 ? 37 CYS A H 16 ATOM 23398 H HA . CYS A 1 37 ? -2.802 0.913 -5.266 1.00 0.00 ? 37 CYS A HA 16 ATOM 23399 H HB2 . CYS A 1 37 ? -2.722 -0.732 -2.736 1.00 0.00 ? 37 CYS A HB2 16 ATOM 23400 H HB3 . CYS A 1 37 ? -3.777 0.662 -2.935 1.00 0.00 ? 37 CYS A HB3 16 ATOM 23401 H HG . CYS A 1 37 ? -5.698 -0.683 -3.954 1.00 0.00 ? 37 CYS A HG 16 ATOM 23402 N N . HIS A 1 38 ? -0.304 1.226 -3.210 1.00 0.00 ? 38 HIS A N 16 ATOM 23403 C CA . HIS A 1 38 ? 0.552 2.185 -2.522 1.00 0.00 ? 38 HIS A CA 16 ATOM 23404 C C . HIS A 1 38 ? 1.500 2.870 -3.502 1.00 0.00 ? 38 HIS A C 16 ATOM 23405 O O . HIS A 1 38 ? 1.720 4.079 -3.425 1.00 0.00 ? 38 HIS A O 16 ATOM 23406 C CB . HIS A 1 38 ? 1.354 1.487 -1.423 1.00 0.00 ? 38 HIS A CB 16 ATOM 23407 C CG . HIS A 1 38 ? 0.651 1.448 -0.101 1.00 0.00 ? 38 HIS A CG 16 ATOM 23408 N ND1 . HIS A 1 38 ? 0.113 2.567 0.499 1.00 0.00 ? 38 HIS A ND1 16 ATOM 23409 C CD2 . HIS A 1 38 ? 0.397 0.416 0.737 1.00 0.00 ? 38 HIS A CD2 16 ATOM 23410 C CE1 . HIS A 1 38 ? -0.440 2.225 1.649 1.00 0.00 ? 38 HIS A CE1 16 ATOM 23411 N NE2 . HIS A 1 38 ? -0.281 0.925 1.817 1.00 0.00 ? 38 HIS A NE2 16 ATOM 23412 H H . HIS A 1 38 ? -0.016 0.292 -3.280 1.00 0.00 ? 38 HIS A H 16 ATOM 23413 H HA . HIS A 1 38 ? -0.083 2.933 -2.072 1.00 0.00 ? 38 HIS A HA 16 ATOM 23414 H HB2 . HIS A 1 38 ? 1.553 0.469 -1.722 1.00 0.00 ? 38 HIS A HB2 16 ATOM 23415 H HB3 . HIS A 1 38 ? 2.292 2.007 -1.285 1.00 0.00 ? 38 HIS A HB3 16 ATOM 23416 H HD1 . HIS A 1 38 ? 0.135 3.477 0.136 1.00 0.00 ? 38 HIS A HD1 16 ATOM 23417 H HD2 . HIS A 1 38 ? 0.677 -0.618 0.585 1.00 0.00 ? 38 HIS A HD2 16 ATOM 23418 H HE1 . HIS A 1 38 ? -0.937 2.894 2.335 1.00 0.00 ? 38 HIS A HE1 16 ATOM 23419 H HE2 . HIS A 1 38 ? -0.522 0.427 2.625 1.00 0.00 ? 38 HIS A HE2 16 ATOM 23420 N N . ARG A 1 39 ? 2.057 2.090 -4.422 1.00 0.00 ? 39 ARG A N 16 ATOM 23421 C CA . ARG A 1 39 ? 2.981 2.621 -5.417 1.00 0.00 ? 39 ARG A CA 16 ATOM 23422 C C . ARG A 1 39 ? 2.382 3.833 -6.123 1.00 0.00 ? 39 ARG A C 16 ATOM 23423 O O . ARG A 1 39 ? 3.082 4.802 -6.420 1.00 0.00 ? 39 ARG A O 16 ATOM 23424 C CB . ARG A 1 39 ? 3.336 1.543 -6.442 1.00 0.00 ? 39 ARG A CB 16 ATOM 23425 C CG . ARG A 1 39 ? 4.471 0.633 -6.002 1.00 0.00 ? 39 ARG A CG 16 ATOM 23426 C CD . ARG A 1 39 ? 4.978 -0.222 -7.153 1.00 0.00 ? 39 ARG A CD 16 ATOM 23427 N NE . ARG A 1 39 ? 6.302 -0.774 -6.883 1.00 0.00 ? 39 ARG A NE 16 ATOM 23428 C CZ . ARG A 1 39 ? 7.106 -1.253 -7.826 1.00 0.00 ? 39 ARG A CZ 16 ATOM 23429 N NH1 . ARG A 1 39 ? 6.721 -1.247 -9.095 1.00 0.00 ? 39 ARG A NH1 16 ATOM 23430 N NH2 . ARG A 1 39 ? 8.297 -1.739 -7.501 1.00 0.00 ? 39 ARG A NH2 16 ATOM 23431 H H . ARG A 1 39 ? 1.841 1.133 -4.433 1.00 0.00 ? 39 ARG A H 16 ATOM 23432 H HA . ARG A 1 39 ? 3.881 2.926 -4.903 1.00 0.00 ? 39 ARG A HA 16 ATOM 23433 H HB2 . ARG A 1 39 ? 2.463 0.932 -6.621 1.00 0.00 ? 39 ARG A HB2 16 ATOM 23434 H HB3 . ARG A 1 39 ? 3.625 2.022 -7.365 1.00 0.00 ? 39 ARG A HB3 16 ATOM 23435 H HG2 . ARG A 1 39 ? 5.285 1.240 -5.634 1.00 0.00 ? 39 ARG A HG2 16 ATOM 23436 H HG3 . ARG A 1 39 ? 4.116 -0.014 -5.214 1.00 0.00 ? 39 ARG A HG3 16 ATOM 23437 H HD2 . ARG A 1 39 ? 4.285 -1.035 -7.312 1.00 0.00 ? 39 ARG A HD2 16 ATOM 23438 H HD3 . ARG A 1 39 ? 5.027 0.388 -8.043 1.00 0.00 ? 39 ARG A HD3 16 ATOM 23439 H HE . ARG A 1 39 ? 6.607 -0.788 -5.952 1.00 0.00 ? 39 ARG A HE 16 ATOM 23440 H HH11 . ARG A 1 39 ? 5.824 -0.881 -9.343 1.00 0.00 ? 39 ARG A HH11 16 ATOM 23441 H HH12 . ARG A 1 39 ? 7.328 -1.607 -9.804 1.00 0.00 ? 39 ARG A HH12 16 ATOM 23442 H HH21 . ARG A 1 39 ? 8.591 -1.745 -6.546 1.00 0.00 ? 39 ARG A HH21 16 ATOM 23443 H HH22 . ARG A 1 39 ? 8.901 -2.099 -8.212 1.00 0.00 ? 39 ARG A HH22 16 ATOM 23444 N N . LYS A 1 40 ? 1.082 3.773 -6.391 1.00 0.00 ? 40 LYS A N 16 ATOM 23445 C CA . LYS A 1 40 ? 0.387 4.865 -7.062 1.00 0.00 ? 40 LYS A CA 16 ATOM 23446 C C . LYS A 1 40 ? 0.326 6.100 -6.170 1.00 0.00 ? 40 LYS A C 16 ATOM 23447 O O . LYS A 1 40 ? 0.805 7.171 -6.543 1.00 0.00 ? 40 LYS A O 16 ATOM 23448 C CB . LYS A 1 40 ? -1.028 4.433 -7.452 1.00 0.00 ? 40 LYS A CB 16 ATOM 23449 C CG . LYS A 1 40 ? -1.092 3.668 -8.762 1.00 0.00 ? 40 LYS A CG 16 ATOM 23450 C CD . LYS A 1 40 ? -0.726 2.205 -8.572 1.00 0.00 ? 40 LYS A CD 16 ATOM 23451 C CE . LYS A 1 40 ? -0.771 1.444 -9.888 1.00 0.00 ? 40 LYS A CE 16 ATOM 23452 N NZ . LYS A 1 40 ? 0.198 1.990 -10.878 1.00 0.00 ? 40 LYS A NZ 16 ATOM 23453 H H . LYS A 1 40 ? 0.577 2.974 -6.130 1.00 0.00 ? 40 LYS A H 16 ATOM 23454 H HA . LYS A 1 40 ? 0.939 5.109 -7.958 1.00 0.00 ? 40 LYS A HA 16 ATOM 23455 H HB2 . LYS A 1 40 ? -1.427 3.802 -6.671 1.00 0.00 ? 40 LYS A HB2 16 ATOM 23456 H HB3 . LYS A 1 40 ? -1.648 5.313 -7.543 1.00 0.00 ? 40 LYS A HB3 16 ATOM 23457 H HG2 . LYS A 1 40 ? -2.096 3.728 -9.156 1.00 0.00 ? 40 LYS A HG2 16 ATOM 23458 H HG3 . LYS A 1 40 ? -0.401 4.114 -9.463 1.00 0.00 ? 40 LYS A HG3 16 ATOM 23459 H HD2 . LYS A 1 40 ? 0.273 2.142 -8.167 1.00 0.00 ? 40 LYS A HD2 16 ATOM 23460 H HD3 . LYS A 1 40 ? -1.426 1.755 -7.882 1.00 0.00 ? 40 LYS A HD3 16 ATOM 23461 H HE2 . LYS A 1 40 ? -0.534 0.408 -9.698 1.00 0.00 ? 40 LYS A HE2 16 ATOM 23462 H HE3 . LYS A 1 40 ? -1.769 1.515 -10.296 1.00 0.00 ? 40 LYS A HE3 16 ATOM 23463 H HZ1 . LYS A 1 40 ? 0.640 2.854 -10.506 1.00 0.00 ? 40 LYS A HZ1 16 ATOM 23464 H HZ2 . LYS A 1 40 ? -0.291 2.220 -11.767 1.00 0.00 ? 40 LYS A HZ2 16 ATOM 23465 H HZ3 . LYS A 1 40 ? 0.941 1.290 -11.075 1.00 0.00 ? 40 LYS A HZ3 16 ATOM 23466 N N . ALA A 1 41 ? -0.266 5.944 -4.990 1.00 0.00 ? 41 ALA A N 16 ATOM 23467 C CA . ALA A 1 41 ? -0.386 7.046 -4.044 1.00 0.00 ? 41 ALA A CA 16 ATOM 23468 C C . ALA A 1 41 ? 0.962 7.722 -3.814 1.00 0.00 ? 41 ALA A C 16 ATOM 23469 O O . ALA A 1 41 ? 1.087 8.940 -3.941 1.00 0.00 ? 41 ALA A O 16 ATOM 23470 C CB . ALA A 1 41 ? -0.962 6.550 -2.726 1.00 0.00 ? 41 ALA A CB 16 ATOM 23471 H H . ALA A 1 41 ? -0.628 5.066 -4.750 1.00 0.00 ? 41 ALA A H 16 ATOM 23472 H HA . ALA A 1 41 ? -1.073 7.769 -4.460 1.00 0.00 ? 41 ALA A HA 16 ATOM 23473 H HB1 . ALA A 1 41 ? -1.786 7.184 -2.433 1.00 0.00 ? 41 ALA A HB1 16 ATOM 23474 H HB2 . ALA A 1 41 ? -1.312 5.535 -2.846 1.00 0.00 ? 41 ALA A HB2 16 ATOM 23475 H HB3 . ALA A 1 41 ? -0.196 6.580 -1.965 1.00 0.00 ? 41 ALA A HB3 16 ATOM 23476 N N . THR A 1 42 ? 1.968 6.923 -3.473 1.00 0.00 ? 42 THR A N 16 ATOM 23477 C CA . THR A 1 42 ? 3.306 7.444 -3.223 1.00 0.00 ? 42 THR A CA 16 ATOM 23478 C C . THR A 1 42 ? 3.766 8.348 -4.361 1.00 0.00 ? 42 THR A C 16 ATOM 23479 O O . THR A 1 42 ? 4.183 9.485 -4.136 1.00 0.00 ? 42 THR A O 16 ATOM 23480 C CB . THR A 1 42 ? 4.328 6.305 -3.044 1.00 0.00 ? 42 THR A CB 16 ATOM 23481 O OG1 . THR A 1 42 ? 4.100 5.284 -4.021 1.00 0.00 ? 42 THR A OG1 16 ATOM 23482 C CG2 . THR A 1 42 ? 4.233 5.708 -1.647 1.00 0.00 ? 42 THR A CG2 16 ATOM 23483 H H . THR A 1 42 ? 1.806 5.960 -3.388 1.00 0.00 ? 42 THR A H 16 ATOM 23484 H HA . THR A 1 42 ? 3.275 8.019 -2.309 1.00 0.00 ? 42 THR A HA 16 ATOM 23485 H HB . THR A 1 42 ? 5.321 6.709 -3.180 1.00 0.00 ? 42 THR A HB 16 ATOM 23486 H HG1 . THR A 1 42 ? 4.936 5.036 -4.425 1.00 0.00 ? 42 THR A HG1 16 ATOM 23487 H HG21 . THR A 1 42 ? 4.829 4.809 -1.599 1.00 0.00 ? 42 THR A HG21 16 ATOM 23488 H HG22 . THR A 1 42 ? 3.203 5.470 -1.427 1.00 0.00 ? 42 THR A HG22 16 ATOM 23489 H HG23 . THR A 1 42 ? 4.600 6.422 -0.925 1.00 0.00 ? 42 THR A HG23 16 ATOM 23490 N N . THR A 1 43 ? 3.686 7.838 -5.586 1.00 0.00 ? 43 THR A N 16 ATOM 23491 C CA . THR A 1 43 ? 4.095 8.599 -6.760 1.00 0.00 ? 43 THR A CA 16 ATOM 23492 C C . THR A 1 43 ? 3.450 9.981 -6.770 1.00 0.00 ? 43 THR A C 16 ATOM 23493 O O . THR A 1 43 ? 4.131 10.993 -6.938 1.00 0.00 ? 43 THR A O 16 ATOM 23494 C CB . THR A 1 43 ? 3.727 7.864 -8.062 1.00 0.00 ? 43 THR A CB 16 ATOM 23495 O OG1 . THR A 1 43 ? 4.292 6.549 -8.059 1.00 0.00 ? 43 THR A OG1 16 ATOM 23496 C CG2 . THR A 1 43 ? 4.225 8.633 -9.277 1.00 0.00 ? 43 THR A CG2 16 ATOM 23497 H H . THR A 1 43 ? 3.346 6.926 -5.701 1.00 0.00 ? 43 THR A H 16 ATOM 23498 H HA . THR A 1 43 ? 5.168 8.714 -6.726 1.00 0.00 ? 43 THR A HA 16 ATOM 23499 H HB . THR A 1 43 ? 2.650 7.786 -8.122 1.00 0.00 ? 43 THR A HB 16 ATOM 23500 H HG1 . THR A 1 43 ? 4.388 6.239 -8.963 1.00 0.00 ? 43 THR A HG1 16 ATOM 23501 H HG21 . THR A 1 43 ? 4.135 9.694 -9.094 1.00 0.00 ? 43 THR A HG21 16 ATOM 23502 H HG22 . THR A 1 43 ? 3.634 8.365 -10.140 1.00 0.00 ? 43 THR A HG22 16 ATOM 23503 H HG23 . THR A 1 43 ? 5.260 8.386 -9.458 1.00 0.00 ? 43 THR A HG23 16 ATOM 23504 N N . TYR A 1 44 ? 2.135 10.016 -6.588 1.00 0.00 ? 44 TYR A N 16 ATOM 23505 C CA . TYR A 1 44 ? 1.399 11.275 -6.578 1.00 0.00 ? 44 TYR A CA 16 ATOM 23506 C C . TYR A 1 44 ? 1.980 12.238 -5.548 1.00 0.00 ? 44 TYR A C 16 ATOM 23507 O O . TYR A 1 44 ? 2.235 13.406 -5.846 1.00 0.00 ? 44 TYR A O 16 ATOM 23508 C CB . TYR A 1 44 ? -0.080 11.022 -6.279 1.00 0.00 ? 44 TYR A CB 16 ATOM 23509 C CG . TYR A 1 44 ? -0.906 12.286 -6.197 1.00 0.00 ? 44 TYR A CG 16 ATOM 23510 C CD1 . TYR A 1 44 ? -0.757 13.299 -7.137 1.00 0.00 ? 44 TYR A CD1 16 ATOM 23511 C CD2 . TYR A 1 44 ? -1.834 12.468 -5.180 1.00 0.00 ? 44 TYR A CD2 16 ATOM 23512 C CE1 . TYR A 1 44 ? -1.508 14.456 -7.066 1.00 0.00 ? 44 TYR A CE1 16 ATOM 23513 C CE2 . TYR A 1 44 ? -2.591 13.621 -5.102 1.00 0.00 ? 44 TYR A CE2 16 ATOM 23514 C CZ . TYR A 1 44 ? -2.424 14.612 -6.046 1.00 0.00 ? 44 TYR A CZ 16 ATOM 23515 O OH . TYR A 1 44 ? -3.176 15.763 -5.971 1.00 0.00 ? 44 TYR A OH 16 ATOM 23516 H H . TYR A 1 44 ? 1.647 9.177 -6.460 1.00 0.00 ? 44 TYR A H 16 ATOM 23517 H HA . TYR A 1 44 ? 1.487 11.719 -7.559 1.00 0.00 ? 44 TYR A HA 16 ATOM 23518 H HB2 . TYR A 1 44 ? -0.498 10.404 -7.059 1.00 0.00 ? 44 TYR A HB2 16 ATOM 23519 H HB3 . TYR A 1 44 ? -0.166 10.507 -5.334 1.00 0.00 ? 44 TYR A HB3 16 ATOM 23520 H HD1 . TYR A 1 44 ? -0.038 13.174 -7.934 1.00 0.00 ? 44 TYR A HD1 16 ATOM 23521 H HD2 . TYR A 1 44 ? -1.962 11.690 -4.441 1.00 0.00 ? 44 TYR A HD2 16 ATOM 23522 H HE1 . TYR A 1 44 ? -1.378 15.232 -7.805 1.00 0.00 ? 44 TYR A HE1 16 ATOM 23523 H HE2 . TYR A 1 44 ? -3.308 13.744 -4.303 1.00 0.00 ? 44 TYR A HE2 16 ATOM 23524 H HH . TYR A 1 44 ? -3.921 15.698 -6.573 1.00 0.00 ? 44 TYR A HH 16 ATOM 23525 N N . LEU A 1 45 ? 2.188 11.741 -4.334 1.00 0.00 ? 45 LEU A N 16 ATOM 23526 C CA . LEU A 1 45 ? 2.740 12.555 -3.257 1.00 0.00 ? 45 LEU A CA 16 ATOM 23527 C C . LEU A 1 45 ? 4.086 13.150 -3.660 1.00 0.00 ? 45 LEU A C 16 ATOM 23528 O O . LEU A 1 45 ? 4.337 14.337 -3.454 1.00 0.00 ? 45 LEU A O 16 ATOM 23529 C CB . LEU A 1 45 ? 2.899 11.718 -1.987 1.00 0.00 ? 45 LEU A CB 16 ATOM 23530 C CG . LEU A 1 45 ? 1.634 11.518 -1.152 1.00 0.00 ? 45 LEU A CG 16 ATOM 23531 C CD1 . LEU A 1 45 ? 1.882 10.510 -0.041 1.00 0.00 ? 45 LEU A CD1 16 ATOM 23532 C CD2 . LEU A 1 45 ? 1.162 12.845 -0.575 1.00 0.00 ? 45 LEU A CD2 16 ATOM 23533 H H . LEU A 1 45 ? 1.965 10.803 -4.156 1.00 0.00 ? 45 LEU A H 16 ATOM 23534 H HA . LEU A 1 45 ? 2.048 13.361 -3.063 1.00 0.00 ? 45 LEU A HA 16 ATOM 23535 H HB2 . LEU A 1 45 ? 3.261 10.743 -2.277 1.00 0.00 ? 45 LEU A HB2 16 ATOM 23536 H HB3 . LEU A 1 45 ? 3.637 12.202 -1.363 1.00 0.00 ? 45 LEU A HB3 16 ATOM 23537 H HG . LEU A 1 45 ? 0.849 11.130 -1.786 1.00 0.00 ? 45 LEU A HG 16 ATOM 23538 H HD11 . LEU A 1 45 ? 1.716 10.981 0.916 1.00 0.00 ? 45 LEU A HD11 16 ATOM 23539 H HD12 . LEU A 1 45 ? 2.901 10.156 -0.096 1.00 0.00 ? 45 LEU A HD12 16 ATOM 23540 H HD13 . LEU A 1 45 ? 1.205 9.676 -0.154 1.00 0.00 ? 45 LEU A HD13 16 ATOM 23541 H HD21 . LEU A 1 45 ? 0.085 12.903 -0.642 1.00 0.00 ? 45 LEU A HD21 16 ATOM 23542 H HD22 . LEU A 1 45 ? 1.601 13.658 -1.134 1.00 0.00 ? 45 LEU A HD22 16 ATOM 23543 H HD23 . LEU A 1 45 ? 1.463 12.915 0.460 1.00 0.00 ? 45 LEU A HD23 16 ATOM 23544 N N . SER A 1 46 ? 4.946 12.317 -4.237 1.00 0.00 ? 46 SER A N 16 ATOM 23545 C CA . SER A 1 46 ? 6.267 12.760 -4.667 1.00 0.00 ? 46 SER A CA 16 ATOM 23546 C C . SER A 1 46 ? 6.155 13.842 -5.738 1.00 0.00 ? 46 SER A C 16 ATOM 23547 O O . SER A 1 46 ? 7.036 14.690 -5.872 1.00 0.00 ? 46 SER A O 16 ATOM 23548 C CB . SER A 1 46 ? 7.075 11.577 -5.204 1.00 0.00 ? 46 SER A CB 16 ATOM 23549 O OG . SER A 1 46 ? 8.447 11.910 -5.326 1.00 0.00 ? 46 SER A OG 16 ATOM 23550 H H . SER A 1 46 ? 4.687 11.382 -4.374 1.00 0.00 ? 46 SER A H 16 ATOM 23551 H HA . SER A 1 46 ? 6.775 13.172 -3.808 1.00 0.00 ? 46 SER A HA 16 ATOM 23552 H HB2 . SER A 1 46 ? 6.979 10.742 -4.527 1.00 0.00 ? 46 SER A HB2 16 ATOM 23553 H HB3 . SER A 1 46 ? 6.697 11.298 -6.177 1.00 0.00 ? 46 SER A HB3 16 ATOM 23554 H HG . SER A 1 46 ? 8.698 12.501 -4.612 1.00 0.00 ? 46 SER A HG 16 ATOM 23555 N N . GLU A 1 47 ? 5.064 13.804 -6.497 1.00 0.00 ? 47 GLU A N 16 ATOM 23556 C CA . GLU A 1 47 ? 4.837 14.780 -7.556 1.00 0.00 ? 47 GLU A CA 16 ATOM 23557 C C . GLU A 1 47 ? 4.232 16.062 -6.994 1.00 0.00 ? 47 GLU A C 16 ATOM 23558 O O . GLU A 1 47 ? 4.246 17.106 -7.645 1.00 0.00 ? 47 GLU A O 16 ATOM 23559 C CB . GLU A 1 47 ? 3.916 14.196 -8.629 1.00 0.00 ? 47 GLU A CB 16 ATOM 23560 C CG . GLU A 1 47 ? 4.658 13.466 -9.736 1.00 0.00 ? 47 GLU A CG 16 ATOM 23561 C CD . GLU A 1 47 ? 5.324 14.413 -10.716 1.00 0.00 ? 47 GLU A CD 16 ATOM 23562 O OE1 . GLU A 1 47 ? 4.610 14.982 -11.568 1.00 0.00 ? 47 GLU A OE1 16 ATOM 23563 O OE2 . GLU A 1 47 ? 6.558 14.584 -10.630 1.00 0.00 ? 47 GLU A OE2 16 ATOM 23564 H H . GLU A 1 47 ? 4.398 13.103 -6.341 1.00 0.00 ? 47 GLU A H 16 ATOM 23565 H HA . GLU A 1 47 ? 5.792 15.013 -8.003 1.00 0.00 ? 47 GLU A HA 16 ATOM 23566 H HB2 . GLU A 1 47 ? 3.234 13.501 -8.162 1.00 0.00 ? 47 GLU A HB2 16 ATOM 23567 H HB3 . GLU A 1 47 ? 3.348 14.999 -9.075 1.00 0.00 ? 47 GLU A HB3 16 ATOM 23568 H HG2 . GLU A 1 47 ? 5.417 12.840 -9.292 1.00 0.00 ? 47 GLU A HG2 16 ATOM 23569 H HG3 . GLU A 1 47 ? 3.955 12.848 -10.277 1.00 0.00 ? 47 GLU A HG3 16 ATOM 23570 N N . ALA A 1 48 ? 3.699 15.975 -5.779 1.00 0.00 ? 48 ALA A N 16 ATOM 23571 C CA . ALA A 1 48 ? 3.090 17.128 -5.128 1.00 0.00 ? 48 ALA A CA 16 ATOM 23572 C C . ALA A 1 48 ? 4.152 18.083 -4.595 1.00 0.00 ? 48 ALA A C 16 ATOM 23573 O O . ALA A 1 48 ? 4.174 19.261 -4.948 1.00 0.00 ? 48 ALA A O 16 ATOM 23574 C CB . ALA A 1 48 ? 2.173 16.674 -4.002 1.00 0.00 ? 48 ALA A CB 16 ATOM 23575 H H . ALA A 1 48 ? 3.718 15.115 -5.310 1.00 0.00 ? 48 ALA A H 16 ATOM 23576 H HA . ALA A 1 48 ? 2.489 17.647 -5.861 1.00 0.00 ? 48 ALA A HA 16 ATOM 23577 H HB1 . ALA A 1 48 ? 1.834 15.667 -4.198 1.00 0.00 ? 48 ALA A HB1 16 ATOM 23578 H HB2 . ALA A 1 48 ? 2.712 16.696 -3.067 1.00 0.00 ? 48 ALA A HB2 16 ATOM 23579 H HB3 . ALA A 1 48 ? 1.321 17.335 -3.942 1.00 0.00 ? 48 ALA A HB3 16 ATOM 23580 N N . MET A 1 49 ? 5.032 17.566 -3.742 1.00 0.00 ? 49 MET A N 16 ATOM 23581 C CA . MET A 1 49 ? 6.098 18.374 -3.161 1.00 0.00 ? 49 MET A CA 16 ATOM 23582 C C . MET A 1 49 ? 6.997 18.951 -4.250 1.00 0.00 ? 49 MET A C 16 ATOM 23583 O O . MET A 1 49 ? 7.682 19.952 -4.037 1.00 0.00 ? 49 MET A O 16 ATOM 23584 C CB . MET A 1 49 ? 6.929 17.536 -2.188 1.00 0.00 ? 49 MET A CB 16 ATOM 23585 C CG . MET A 1 49 ? 7.515 16.281 -2.814 1.00 0.00 ? 49 MET A CG 16 ATOM 23586 S SD . MET A 1 49 ? 8.245 15.172 -1.593 1.00 0.00 ? 49 MET A SD 16 ATOM 23587 C CE . MET A 1 49 ? 6.888 15.000 -0.438 1.00 0.00 ? 49 MET A CE 16 ATOM 23588 H H . MET A 1 49 ? 4.963 16.619 -3.499 1.00 0.00 ? 49 MET A H 16 ATOM 23589 H HA . MET A 1 49 ? 5.639 19.188 -2.620 1.00 0.00 ? 49 MET A HA 16 ATOM 23590 H HB2 . MET A 1 49 ? 7.742 18.140 -1.815 1.00 0.00 ? 49 MET A HB2 16 ATOM 23591 H HB3 . MET A 1 49 ? 6.302 17.239 -1.360 1.00 0.00 ? 49 MET A HB3 16 ATOM 23592 H HG2 . MET A 1 49 ? 6.730 15.753 -3.334 1.00 0.00 ? 49 MET A HG2 16 ATOM 23593 H HG3 . MET A 1 49 ? 8.280 16.572 -3.519 1.00 0.00 ? 49 MET A HG3 16 ATOM 23594 H HE1 . MET A 1 49 ? 5.969 15.309 -0.913 1.00 0.00 ? 49 MET A HE1 16 ATOM 23595 H HE2 . MET A 1 49 ? 6.806 13.968 -0.131 1.00 0.00 ? 49 MET A HE2 16 ATOM 23596 H HE3 . MET A 1 49 ? 7.072 15.620 0.428 1.00 0.00 ? 49 MET A HE3 16 ATOM 23597 N N . LYS A 1 50 ? 6.991 18.314 -5.416 1.00 0.00 ? 50 LYS A N 16 ATOM 23598 C CA . LYS A 1 50 ? 7.805 18.764 -6.538 1.00 0.00 ? 50 LYS A CA 16 ATOM 23599 C C . LYS A 1 50 ? 7.166 19.965 -7.227 1.00 0.00 ? 50 LYS A C 16 ATOM 23600 O O . LYS A 1 50 ? 7.689 20.478 -8.217 1.00 0.00 ? 50 LYS A O 16 ATOM 23601 C CB . LYS A 1 50 ? 7.996 17.627 -7.545 1.00 0.00 ? 50 LYS A CB 16 ATOM 23602 C CG . LYS A 1 50 ? 9.118 16.672 -7.178 1.00 0.00 ? 50 LYS A CG 16 ATOM 23603 C CD . LYS A 1 50 ? 9.210 15.516 -8.160 1.00 0.00 ? 50 LYS A CD 16 ATOM 23604 C CE . LYS A 1 50 ? 9.943 15.921 -9.430 1.00 0.00 ? 50 LYS A CE 16 ATOM 23605 N NZ . LYS A 1 50 ? 10.237 14.748 -10.299 1.00 0.00 ? 50 LYS A NZ 16 ATOM 23606 H H . LYS A 1 50 ? 6.424 17.521 -5.524 1.00 0.00 ? 50 LYS A H 16 ATOM 23607 H HA . LYS A 1 50 ? 8.770 19.057 -6.152 1.00 0.00 ? 50 LYS A HA 16 ATOM 23608 H HB2 . LYS A 1 50 ? 7.077 17.063 -7.610 1.00 0.00 ? 50 LYS A HB2 16 ATOM 23609 H HB3 . LYS A 1 50 ? 8.217 18.053 -8.513 1.00 0.00 ? 50 LYS A HB3 16 ATOM 23610 H HG2 . LYS A 1 50 ? 10.054 17.210 -7.184 1.00 0.00 ? 50 LYS A HG2 16 ATOM 23611 H HG3 . LYS A 1 50 ? 8.934 16.278 -6.188 1.00 0.00 ? 50 LYS A HG3 16 ATOM 23612 H HD2 . LYS A 1 50 ? 9.743 14.701 -7.695 1.00 0.00 ? 50 LYS A HD2 16 ATOM 23613 H HD3 . LYS A 1 50 ? 8.211 15.194 -8.419 1.00 0.00 ? 50 LYS A HD3 16 ATOM 23614 H HE2 . LYS A 1 50 ? 9.328 16.619 -9.978 1.00 0.00 ? 50 LYS A HE2 16 ATOM 23615 H HE3 . LYS A 1 50 ? 10.873 16.398 -9.156 1.00 0.00 ? 50 LYS A HE3 16 ATOM 23616 H HZ1 . LYS A 1 50 ? 11.263 14.659 -10.443 1.00 0.00 ? 50 LYS A HZ1 16 ATOM 23617 H HZ2 . LYS A 1 50 ? 9.777 14.864 -11.224 1.00 0.00 ? 50 LYS A HZ2 16 ATOM 23618 H HZ3 . LYS A 1 50 ? 9.883 13.876 -9.855 1.00 0.00 ? 50 LYS A HZ3 16 ATOM 23619 N N . LEU A 1 51 ? 6.033 20.412 -6.697 1.00 0.00 ? 51 LEU A N 16 ATOM 23620 C CA . LEU A 1 51 ? 5.322 21.554 -7.260 1.00 0.00 ? 51 LEU A CA 16 ATOM 23621 C C . LEU A 1 51 ? 5.140 22.651 -6.215 1.00 0.00 ? 51 LEU A C 16 ATOM 23622 O O . LEU A 1 51 ? 5.564 23.791 -6.415 1.00 0.00 ? 51 LEU A O 16 ATOM 23623 C CB . LEU A 1 51 ? 3.959 21.117 -7.799 1.00 0.00 ? 51 LEU A CB 16 ATOM 23624 C CG . LEU A 1 51 ? 3.950 20.549 -9.219 1.00 0.00 ? 51 LEU A CG 16 ATOM 23625 C CD1 . LEU A 1 51 ? 2.774 19.602 -9.407 1.00 0.00 ? 51 LEU A CD1 16 ATOM 23626 C CD2 . LEU A 1 51 ? 3.901 21.673 -10.243 1.00 0.00 ? 51 LEU A CD2 16 ATOM 23627 H H . LEU A 1 51 ? 5.664 19.963 -5.908 1.00 0.00 ? 51 LEU A H 16 ATOM 23628 H HA . LEU A 1 51 ? 5.914 21.944 -8.074 1.00 0.00 ? 51 LEU A HA 16 ATOM 23629 H HB2 . LEU A 1 51 ? 3.569 20.360 -7.137 1.00 0.00 ? 51 LEU A HB2 16 ATOM 23630 H HB3 . LEU A 1 51 ? 3.306 21.979 -7.782 1.00 0.00 ? 51 LEU A HB3 16 ATOM 23631 H HG . LEU A 1 51 ? 4.859 19.987 -9.381 1.00 0.00 ? 51 LEU A HG 16 ATOM 23632 H HD11 . LEU A 1 51 ? 1.890 20.035 -8.965 1.00 0.00 ? 51 LEU A HD11 16 ATOM 23633 H HD12 . LEU A 1 51 ? 2.992 18.659 -8.928 1.00 0.00 ? 51 LEU A HD12 16 ATOM 23634 H HD13 . LEU A 1 51 ? 2.608 19.441 -10.462 1.00 0.00 ? 51 LEU A HD13 16 ATOM 23635 H HD21 . LEU A 1 51 ? 4.443 21.377 -11.129 1.00 0.00 ? 51 LEU A HD21 16 ATOM 23636 H HD22 . LEU A 1 51 ? 4.353 22.561 -9.825 1.00 0.00 ? 51 LEU A HD22 16 ATOM 23637 H HD23 . LEU A 1 51 ? 2.873 21.880 -10.502 1.00 0.00 ? 51 LEU A HD23 16 ATOM 23638 N N . THR A 1 52 ? 4.510 22.300 -5.099 1.00 0.00 ? 52 THR A N 16 ATOM 23639 C CA . THR A 1 52 ? 4.273 23.253 -4.022 1.00 0.00 ? 52 THR A CA 16 ATOM 23640 C C . THR A 1 52 ? 5.507 24.111 -3.766 1.00 0.00 ? 52 THR A C 16 ATOM 23641 O O . THR A 1 52 ? 6.624 23.601 -3.692 1.00 0.00 ? 52 THR A O 16 ATOM 23642 C CB . THR A 1 52 ? 3.879 22.539 -2.716 1.00 0.00 ? 52 THR A CB 16 ATOM 23643 O OG1 . THR A 1 52 ? 3.193 23.448 -1.848 1.00 0.00 ? 52 THR A OG1 16 ATOM 23644 C CG2 . THR A 1 52 ? 5.108 21.985 -2.010 1.00 0.00 ? 52 THR A CG2 16 ATOM 23645 H H . THR A 1 52 ? 4.196 21.377 -4.999 1.00 0.00 ? 52 THR A H 16 ATOM 23646 H HA . THR A 1 52 ? 3.456 23.894 -4.318 1.00 0.00 ? 52 THR A HA 16 ATOM 23647 H HB . THR A 1 52 ? 3.220 21.717 -2.957 1.00 0.00 ? 52 THR A HB 16 ATOM 23648 H HG1 . THR A 1 52 ? 2.304 23.124 -1.684 1.00 0.00 ? 52 THR A HG1 16 ATOM 23649 H HG21 . THR A 1 52 ? 5.703 22.802 -1.630 1.00 0.00 ? 52 THR A HG21 16 ATOM 23650 H HG22 . THR A 1 52 ? 5.694 21.406 -2.708 1.00 0.00 ? 52 THR A HG22 16 ATOM 23651 H HG23 . THR A 1 52 ? 4.798 21.355 -1.190 1.00 0.00 ? 52 THR A HG23 16 ATOM 23652 N N . GLU A 1 53 ? 5.297 25.417 -3.633 1.00 0.00 ? 53 GLU A N 16 ATOM 23653 C CA . GLU A 1 53 ? 6.394 26.345 -3.386 1.00 0.00 ? 53 GLU A CA 16 ATOM 23654 C C . GLU A 1 53 ? 6.650 26.498 -1.889 1.00 0.00 ? 53 GLU A C 16 ATOM 23655 O O . GLU A 1 53 ? 7.792 26.658 -1.457 1.00 0.00 ? 53 GLU A O 16 ATOM 23656 C CB . GLU A 1 53 ? 6.085 27.711 -4.003 1.00 0.00 ? 53 GLU A CB 16 ATOM 23657 C CG . GLU A 1 53 ? 5.947 27.677 -5.516 1.00 0.00 ? 53 GLU A CG 16 ATOM 23658 C CD . GLU A 1 53 ? 5.657 29.043 -6.106 1.00 0.00 ? 53 GLU A CD 16 ATOM 23659 O OE1 . GLU A 1 53 ? 6.082 30.052 -5.503 1.00 0.00 ? 53 GLU A OE1 16 ATOM 23660 O OE2 . GLU A 1 53 ? 5.005 29.105 -7.169 1.00 0.00 ? 53 GLU A OE2 16 ATOM 23661 H H . GLU A 1 53 ? 4.383 25.764 -3.703 1.00 0.00 ? 53 GLU A H 16 ATOM 23662 H HA . GLU A 1 53 ? 7.280 25.942 -3.851 1.00 0.00 ? 53 GLU A HA 16 ATOM 23663 H HB2 . GLU A 1 53 ? 5.160 28.080 -3.586 1.00 0.00 ? 53 GLU A HB2 16 ATOM 23664 H HB3 . GLU A 1 53 ? 6.882 28.395 -3.751 1.00 0.00 ? 53 GLU A HB3 16 ATOM 23665 H HG2 . GLU A 1 53 ? 6.869 27.307 -5.941 1.00 0.00 ? 53 GLU A HG2 16 ATOM 23666 H HG3 . GLU A 1 53 ? 5.139 27.009 -5.777 1.00 0.00 ? 53 GLU A HG3 16 ATOM 23667 N N . SER A 1 54 ? 5.579 26.449 -1.103 1.00 0.00 ? 54 SER A N 16 ATOM 23668 C CA . SER A 1 54 ? 5.686 26.587 0.345 1.00 0.00 ? 54 SER A CA 16 ATOM 23669 C C . SER A 1 54 ? 6.540 25.468 0.935 1.00 0.00 ? 54 SER A C 16 ATOM 23670 O O . SER A 1 54 ? 6.677 24.399 0.341 1.00 0.00 ? 54 SER A O 16 ATOM 23671 C CB . SER A 1 54 ? 4.297 26.574 0.984 1.00 0.00 ? 54 SER A CB 16 ATOM 23672 O OG . SER A 1 54 ? 3.550 27.717 0.603 1.00 0.00 ? 54 SER A OG 16 ATOM 23673 H H . SER A 1 54 ? 4.695 26.320 -1.507 1.00 0.00 ? 54 SER A H 16 ATOM 23674 H HA . SER A 1 54 ? 6.161 27.534 0.553 1.00 0.00 ? 54 SER A HA 16 ATOM 23675 H HB2 . SER A 1 54 ? 3.765 25.690 0.666 1.00 0.00 ? 54 SER A HB2 16 ATOM 23676 H HB3 . SER A 1 54 ? 4.398 26.567 2.059 1.00 0.00 ? 54 SER A HB3 16 ATOM 23677 H HG . SER A 1 54 ? 3.825 28.470 1.132 1.00 0.00 ? 54 SER A HG 16 ATOM 23678 N N . GLU A 1 55 ? 7.111 25.724 2.108 1.00 0.00 ? 55 GLU A N 16 ATOM 23679 C CA . GLU A 1 55 ? 7.952 24.739 2.778 1.00 0.00 ? 55 GLU A CA 16 ATOM 23680 C C . GLU A 1 55 ? 7.109 23.789 3.623 1.00 0.00 ? 55 GLU A C 16 ATOM 23681 O O . GLU A 1 55 ? 7.060 22.588 3.361 1.00 0.00 ? 55 GLU A O 16 ATOM 23682 C CB . GLU A 1 55 ? 8.990 25.438 3.659 1.00 0.00 ? 55 GLU A CB 16 ATOM 23683 C CG . GLU A 1 55 ? 9.913 24.477 4.390 1.00 0.00 ? 55 GLU A CG 16 ATOM 23684 C CD . GLU A 1 55 ? 10.680 25.147 5.514 1.00 0.00 ? 55 GLU A CD 16 ATOM 23685 O OE1 . GLU A 1 55 ? 11.771 25.692 5.246 1.00 0.00 ? 55 GLU A OE1 16 ATOM 23686 O OE2 . GLU A 1 55 ? 10.188 25.126 6.662 1.00 0.00 ? 55 GLU A OE2 16 ATOM 23687 H H . GLU A 1 55 ? 6.964 26.595 2.532 1.00 0.00 ? 55 GLU A H 16 ATOM 23688 H HA . GLU A 1 55 ? 8.464 24.168 2.018 1.00 0.00 ? 55 GLU A HA 16 ATOM 23689 H HB2 . GLU A 1 55 ? 9.595 26.084 3.039 1.00 0.00 ? 55 GLU A HB2 16 ATOM 23690 H HB3 . GLU A 1 55 ? 8.475 26.039 4.394 1.00 0.00 ? 55 GLU A HB3 16 ATOM 23691 H HG2 . GLU A 1 55 ? 9.320 23.676 4.807 1.00 0.00 ? 55 GLU A HG2 16 ATOM 23692 H HG3 . GLU A 1 55 ? 10.621 24.070 3.684 1.00 0.00 ? 55 GLU A HG3 16 ATOM 23693 N N . GLN A 1 56 ? 6.447 24.337 4.637 1.00 0.00 ? 56 GLN A N 16 ATOM 23694 C CA . GLN A 1 56 ? 5.607 23.538 5.522 1.00 0.00 ? 56 GLN A CA 16 ATOM 23695 C C . GLN A 1 56 ? 4.879 22.448 4.742 1.00 0.00 ? 56 GLN A C 16 ATOM 23696 O O . GLN A 1 56 ? 4.865 21.286 5.146 1.00 0.00 ? 56 GLN A O 16 ATOM 23697 C CB . GLN A 1 56 ? 4.595 24.430 6.242 1.00 0.00 ? 56 GLN A CB 16 ATOM 23698 C CG . GLN A 1 56 ? 5.228 25.384 7.242 1.00 0.00 ? 56 GLN A CG 16 ATOM 23699 C CD . GLN A 1 56 ? 5.757 24.673 8.472 1.00 0.00 ? 56 GLN A CD 16 ATOM 23700 O OE1 . GLN A 1 56 ? 5.389 23.532 8.750 1.00 0.00 ? 56 GLN A OE1 16 ATOM 23701 N NE2 . GLN A 1 56 ? 6.626 25.346 9.217 1.00 0.00 ? 56 GLN A NE2 16 ATOM 23702 H H . GLN A 1 56 ? 6.527 25.300 4.795 1.00 0.00 ? 56 GLN A H 16 ATOM 23703 H HA . GLN A 1 56 ? 6.248 23.071 6.255 1.00 0.00 ? 56 GLN A HA 16 ATOM 23704 H HB2 . GLN A 1 56 ? 4.061 25.014 5.507 1.00 0.00 ? 56 GLN A HB2 16 ATOM 23705 H HB3 . GLN A 1 56 ? 3.893 23.803 6.771 1.00 0.00 ? 56 GLN A HB3 16 ATOM 23706 H HG2 . GLN A 1 56 ? 6.048 25.897 6.762 1.00 0.00 ? 56 GLN A HG2 16 ATOM 23707 H HG3 . GLN A 1 56 ? 4.486 26.105 7.552 1.00 0.00 ? 56 GLN A HG3 16 ATOM 23708 H HE21 . GLN A 1 56 ? 6.873 26.253 8.935 1.00 0.00 ? 56 GLN A HE21 16 ATOM 23709 H HE22 . GLN A 1 56 ? 6.984 24.912 10.018 1.00 0.00 ? 56 GLN A HE22 16 ATOM 23710 N N . ALA A 1 57 ? 4.273 22.832 3.623 1.00 0.00 ? 57 ALA A N 16 ATOM 23711 C CA . ALA A 1 57 ? 3.544 21.888 2.786 1.00 0.00 ? 57 ALA A CA 16 ATOM 23712 C C . ALA A 1 57 ? 4.413 20.688 2.427 1.00 0.00 ? 57 ALA A C 16 ATOM 23713 O O . ALA A 1 57 ? 4.048 19.542 2.692 1.00 0.00 ? 57 ALA A O 16 ATOM 23714 C CB . ALA A 1 57 ? 3.044 22.577 1.525 1.00 0.00 ? 57 ALA A CB 16 ATOM 23715 H H . ALA A 1 57 ? 4.319 23.773 3.353 1.00 0.00 ? 57 ALA A H 16 ATOM 23716 H HA . ALA A 1 57 ? 2.684 21.543 3.343 1.00 0.00 ? 57 ALA A HA 16 ATOM 23717 H HB1 . ALA A 1 57 ? 3.044 21.871 0.707 1.00 0.00 ? 57 ALA A HB1 16 ATOM 23718 H HB2 . ALA A 1 57 ? 2.040 22.941 1.688 1.00 0.00 ? 57 ALA A HB2 16 ATOM 23719 H HB3 . ALA A 1 57 ? 3.694 23.405 1.286 1.00 0.00 ? 57 ALA A HB3 16 ATOM 23720 N N . HIS A 1 58 ? 5.565 20.958 1.821 1.00 0.00 ? 58 HIS A N 16 ATOM 23721 C CA . HIS A 1 58 ? 6.487 19.899 1.425 1.00 0.00 ? 58 HIS A CA 16 ATOM 23722 C C . HIS A 1 58 ? 6.719 18.923 2.574 1.00 0.00 ? 58 HIS A C 16 ATOM 23723 O O . HIS A 1 58 ? 6.859 17.718 2.360 1.00 0.00 ? 58 HIS A O 16 ATOM 23724 C CB . HIS A 1 58 ? 7.819 20.497 0.971 1.00 0.00 ? 58 HIS A CB 16 ATOM 23725 C CG . HIS A 1 58 ? 8.893 19.475 0.760 1.00 0.00 ? 58 HIS A CG 16 ATOM 23726 N ND1 . HIS A 1 58 ? 9.389 18.684 1.775 1.00 0.00 ? 58 HIS A ND1 16 ATOM 23727 C CD2 . HIS A 1 58 ? 9.566 19.116 -0.358 1.00 0.00 ? 58 HIS A CD2 16 ATOM 23728 C CE1 . HIS A 1 58 ? 10.322 17.884 1.291 1.00 0.00 ? 58 HIS A CE1 16 ATOM 23729 N NE2 . HIS A 1 58 ? 10.448 18.125 -0.001 1.00 0.00 ? 58 HIS A NE2 16 ATOM 23730 H H . HIS A 1 58 ? 5.801 21.891 1.637 1.00 0.00 ? 58 HIS A H 16 ATOM 23731 H HA . HIS A 1 58 ? 6.042 19.364 0.599 1.00 0.00 ? 58 HIS A HA 16 ATOM 23732 H HB2 . HIS A 1 58 ? 7.671 21.020 0.038 1.00 0.00 ? 58 HIS A HB2 16 ATOM 23733 H HB3 . HIS A 1 58 ? 8.166 21.196 1.719 1.00 0.00 ? 58 HIS A HB3 16 ATOM 23734 H HD1 . HIS A 1 58 ? 9.102 18.708 2.712 1.00 0.00 ? 58 HIS A HD1 16 ATOM 23735 H HD2 . HIS A 1 58 ? 9.435 19.531 -1.347 1.00 0.00 ? 58 HIS A HD2 16 ATOM 23736 H HE1 . HIS A 1 58 ? 10.885 17.156 1.855 1.00 0.00 ? 58 HIS A HE1 16 ATOM 23737 H HE2 . HIS A 1 58 ? 11.129 17.731 -0.585 1.00 0.00 ? 58 HIS A HE2 16 ATOM 23738 N N . LEU A 1 59 ? 6.760 19.450 3.793 1.00 0.00 ? 59 LEU A N 16 ATOM 23739 C CA . LEU A 1 59 ? 6.977 18.625 4.976 1.00 0.00 ? 59 LEU A CA 16 ATOM 23740 C C . LEU A 1 59 ? 5.842 17.622 5.156 1.00 0.00 ? 59 LEU A C 16 ATOM 23741 O O . LEU A 1 59 ? 6.068 16.412 5.180 1.00 0.00 ? 59 LEU A O 16 ATOM 23742 C CB . LEU A 1 59 ? 7.095 19.506 6.221 1.00 0.00 ? 59 LEU A CB 16 ATOM 23743 C CG . LEU A 1 59 ? 7.854 20.822 6.043 1.00 0.00 ? 59 LEU A CG 16 ATOM 23744 C CD1 . LEU A 1 59 ? 8.027 21.523 7.381 1.00 0.00 ? 59 LEU A CD1 16 ATOM 23745 C CD2 . LEU A 1 59 ? 9.206 20.573 5.390 1.00 0.00 ? 59 LEU A CD2 16 ATOM 23746 H H . LEU A 1 59 ? 6.642 20.417 3.900 1.00 0.00 ? 59 LEU A H 16 ATOM 23747 H HA . LEU A 1 59 ? 7.901 18.085 4.839 1.00 0.00 ? 59 LEU A HA 16 ATOM 23748 H HB2 . LEU A 1 59 ? 6.096 19.744 6.554 1.00 0.00 ? 59 LEU A HB2 16 ATOM 23749 H HB3 . LEU A 1 59 ? 7.600 18.932 6.985 1.00 0.00 ? 59 LEU A HB3 16 ATOM 23750 H HG . LEU A 1 59 ? 7.284 21.474 5.396 1.00 0.00 ? 59 LEU A HG 16 ATOM 23751 H HD11 . LEU A 1 59 ? 7.059 21.688 7.829 1.00 0.00 ? 59 LEU A HD11 16 ATOM 23752 H HD12 . LEU A 1 59 ? 8.520 22.473 7.229 1.00 0.00 ? 59 LEU A HD12 16 ATOM 23753 H HD13 . LEU A 1 59 ? 8.628 20.908 8.035 1.00 0.00 ? 59 LEU A HD13 16 ATOM 23754 H HD21 . LEU A 1 59 ? 9.747 21.505 5.319 1.00 0.00 ? 59 LEU A HD21 16 ATOM 23755 H HD22 . LEU A 1 59 ? 9.058 20.166 4.400 1.00 0.00 ? 59 LEU A HD22 16 ATOM 23756 H HD23 . LEU A 1 59 ? 9.771 19.873 5.988 1.00 0.00 ? 59 LEU A HD23 16 ATOM 23757 N N . SER A 1 60 ? 4.621 18.132 5.278 1.00 0.00 ? 60 SER A N 16 ATOM 23758 C CA . SER A 1 60 ? 3.451 17.281 5.457 1.00 0.00 ? 60 SER A CA 16 ATOM 23759 C C . SER A 1 60 ? 3.465 16.123 4.463 1.00 0.00 ? 60 SER A C 16 ATOM 23760 O O . SER A 1 60 ? 2.872 15.072 4.709 1.00 0.00 ? 60 SER A O 16 ATOM 23761 C CB . SER A 1 60 ? 2.169 18.098 5.287 1.00 0.00 ? 60 SER A CB 16 ATOM 23762 O OG . SER A 1 60 ? 1.949 18.941 6.405 1.00 0.00 ? 60 SER A OG 16 ATOM 23763 H H . SER A 1 60 ? 4.505 19.105 5.251 1.00 0.00 ? 60 SER A H 16 ATOM 23764 H HA . SER A 1 60 ? 3.482 16.880 6.459 1.00 0.00 ? 60 SER A HA 16 ATOM 23765 H HB2 . SER A 1 60 ? 2.249 18.709 4.401 1.00 0.00 ? 60 SER A HB2 16 ATOM 23766 H HB3 . SER A 1 60 ? 1.328 17.427 5.187 1.00 0.00 ? 60 SER A HB3 16 ATOM 23767 H HG . SER A 1 60 ? 2.793 19.180 6.796 1.00 0.00 ? 60 SER A HG 16 ATOM 23768 N N . LEU A 1 61 ? 4.145 16.324 3.340 1.00 0.00 ? 61 LEU A N 16 ATOM 23769 C CA . LEU A 1 61 ? 4.238 15.298 2.308 1.00 0.00 ? 61 LEU A CA 16 ATOM 23770 C C . LEU A 1 61 ? 5.438 14.388 2.550 1.00 0.00 ? 61 LEU A C 16 ATOM 23771 O O . LEU A 1 61 ? 5.310 13.164 2.550 1.00 0.00 ? 61 LEU A O 16 ATOM 23772 C CB . LEU A 1 61 ? 4.346 15.945 0.926 1.00 0.00 ? 61 LEU A CB 16 ATOM 23773 C CG . LEU A 1 61 ? 3.265 16.969 0.578 1.00 0.00 ? 61 LEU A CG 16 ATOM 23774 C CD1 . LEU A 1 61 ? 3.650 17.750 -0.669 1.00 0.00 ? 61 LEU A CD1 16 ATOM 23775 C CD2 . LEU A 1 61 ? 1.921 16.281 0.385 1.00 0.00 ? 61 LEU A CD2 16 ATOM 23776 H H . LEU A 1 61 ? 4.597 17.182 3.201 1.00 0.00 ? 61 LEU A H 16 ATOM 23777 H HA . LEU A 1 61 ? 3.337 14.704 2.349 1.00 0.00 ? 61 LEU A HA 16 ATOM 23778 H HB2 . LEU A 1 61 ? 5.302 16.442 0.867 1.00 0.00 ? 61 LEU A HB2 16 ATOM 23779 H HB3 . LEU A 1 61 ? 4.306 15.156 0.188 1.00 0.00 ? 61 LEU A HB3 16 ATOM 23780 H HG . LEU A 1 61 ? 3.167 17.671 1.394 1.00 0.00 ? 61 LEU A HG 16 ATOM 23781 H HD11 . LEU A 1 61 ? 4.250 17.125 -1.313 1.00 0.00 ? 61 LEU A HD11 16 ATOM 23782 H HD12 . LEU A 1 61 ? 4.217 18.624 -0.385 1.00 0.00 ? 61 LEU A HD12 16 ATOM 23783 H HD13 . LEU A 1 61 ? 2.756 18.055 -1.193 1.00 0.00 ? 61 LEU A HD13 16 ATOM 23784 H HD21 . LEU A 1 61 ? 2.064 15.360 -0.161 1.00 0.00 ? 61 LEU A HD21 16 ATOM 23785 H HD22 . LEU A 1 61 ? 1.261 16.930 -0.173 1.00 0.00 ? 61 LEU A HD22 16 ATOM 23786 H HD23 . LEU A 1 61 ? 1.485 16.064 1.348 1.00 0.00 ? 61 LEU A HD23 16 ATOM 23787 N N . GLU A 1 62 ? 6.602 14.994 2.759 1.00 0.00 ? 62 GLU A N 16 ATOM 23788 C CA . GLU A 1 62 ? 7.824 14.237 3.005 1.00 0.00 ? 62 GLU A CA 16 ATOM 23789 C C . GLU A 1 62 ? 7.656 13.306 4.202 1.00 0.00 ? 62 GLU A C 16 ATOM 23790 O O . GLU A 1 62 ? 8.334 12.284 4.308 1.00 0.00 ? 62 GLU A O 16 ATOM 23791 C CB . GLU A 1 62 ? 8.999 15.187 3.245 1.00 0.00 ? 62 GLU A CB 16 ATOM 23792 C CG . GLU A 1 62 ? 9.180 15.575 4.702 1.00 0.00 ? 62 GLU A CG 16 ATOM 23793 C CD . GLU A 1 62 ? 10.406 16.439 4.928 1.00 0.00 ? 62 GLU A CD 16 ATOM 23794 O OE1 . GLU A 1 62 ? 11.481 16.093 4.396 1.00 0.00 ? 62 GLU A OE1 16 ATOM 23795 O OE2 . GLU A 1 62 ? 10.290 17.461 5.637 1.00 0.00 ? 62 GLU A OE2 16 ATOM 23796 H H . GLU A 1 62 ? 6.640 15.973 2.747 1.00 0.00 ? 62 GLU A H 16 ATOM 23797 H HA . GLU A 1 62 ? 8.027 13.643 2.127 1.00 0.00 ? 62 GLU A HA 16 ATOM 23798 H HB2 . GLU A 1 62 ? 9.907 14.711 2.904 1.00 0.00 ? 62 GLU A HB2 16 ATOM 23799 H HB3 . GLU A 1 62 ? 8.840 16.089 2.672 1.00 0.00 ? 62 GLU A HB3 16 ATOM 23800 H HG2 . GLU A 1 62 ? 8.308 16.123 5.027 1.00 0.00 ? 62 GLU A HG2 16 ATOM 23801 H HG3 . GLU A 1 62 ? 9.279 14.675 5.292 1.00 0.00 ? 62 GLU A HG3 16 ATOM 23802 N N . LEU A 1 63 ? 6.748 13.668 5.102 1.00 0.00 ? 63 LEU A N 16 ATOM 23803 C CA . LEU A 1 63 ? 6.490 12.866 6.293 1.00 0.00 ? 63 LEU A CA 16 ATOM 23804 C C . LEU A 1 63 ? 5.429 11.806 6.016 1.00 0.00 ? 63 LEU A C 16 ATOM 23805 O O . LEU A 1 63 ? 5.618 10.630 6.325 1.00 0.00 ? 63 LEU A O 16 ATOM 23806 C CB . LEU A 1 63 ? 6.042 13.763 7.449 1.00 0.00 ? 63 LEU A CB 16 ATOM 23807 C CG . LEU A 1 63 ? 7.132 14.618 8.096 1.00 0.00 ? 63 LEU A CG 16 ATOM 23808 C CD1 . LEU A 1 63 ? 6.518 15.653 9.025 1.00 0.00 ? 63 LEU A CD1 16 ATOM 23809 C CD2 . LEU A 1 63 ? 8.120 13.741 8.851 1.00 0.00 ? 63 LEU A CD2 16 ATOM 23810 H H . LEU A 1 63 ? 6.239 14.493 4.963 1.00 0.00 ? 63 LEU A H 16 ATOM 23811 H HA . LEU A 1 63 ? 7.411 12.373 6.567 1.00 0.00 ? 63 LEU A HA 16 ATOM 23812 H HB2 . LEU A 1 63 ? 5.279 14.428 7.074 1.00 0.00 ? 63 LEU A HB2 16 ATOM 23813 H HB3 . LEU A 1 63 ? 5.620 13.128 8.214 1.00 0.00 ? 63 LEU A HB3 16 ATOM 23814 H HG . LEU A 1 63 ? 7.674 15.145 7.323 1.00 0.00 ? 63 LEU A HG 16 ATOM 23815 H HD11 . LEU A 1 63 ? 7.299 16.266 9.448 1.00 0.00 ? 63 LEU A HD11 16 ATOM 23816 H HD12 . LEU A 1 63 ? 5.983 15.152 9.819 1.00 0.00 ? 63 LEU A HD12 16 ATOM 23817 H HD13 . LEU A 1 63 ? 5.833 16.275 8.468 1.00 0.00 ? 63 LEU A HD13 16 ATOM 23818 H HD21 . LEU A 1 63 ? 7.956 13.846 9.913 1.00 0.00 ? 63 LEU A HD21 16 ATOM 23819 H HD22 . LEU A 1 63 ? 9.129 14.046 8.611 1.00 0.00 ? 63 LEU A HD22 16 ATOM 23820 H HD23 . LEU A 1 63 ? 7.978 12.709 8.564 1.00 0.00 ? 63 LEU A HD23 16 ATOM 23821 N N . GLN A 1 64 ? 4.314 12.231 5.431 1.00 0.00 ? 64 GLN A N 16 ATOM 23822 C CA . GLN A 1 64 ? 3.223 11.318 5.111 1.00 0.00 ? 64 GLN A CA 16 ATOM 23823 C C . GLN A 1 64 ? 3.691 10.225 4.155 1.00 0.00 ? 64 GLN A C 16 ATOM 23824 O O . GLN A 1 64 ? 3.150 9.119 4.150 1.00 0.00 ? 64 GLN A O 16 ATOM 23825 C CB . GLN A 1 64 ? 2.051 12.084 4.495 1.00 0.00 ? 64 GLN A CB 16 ATOM 23826 C CG . GLN A 1 64 ? 0.725 11.347 4.590 1.00 0.00 ? 64 GLN A CG 16 ATOM 23827 C CD . GLN A 1 64 ? 0.288 11.114 6.023 1.00 0.00 ? 64 GLN A CD 16 ATOM 23828 O OE1 . GLN A 1 64 ? 0.879 10.306 6.740 1.00 0.00 ? 64 GLN A OE1 16 ATOM 23829 N NE2 . GLN A 1 64 ? -0.752 11.822 6.447 1.00 0.00 ? 64 GLN A NE2 16 ATOM 23830 H H . GLN A 1 64 ? 4.222 13.181 5.209 1.00 0.00 ? 64 GLN A H 16 ATOM 23831 H HA . GLN A 1 64 ? 2.896 10.857 6.031 1.00 0.00 ? 64 GLN A HA 16 ATOM 23832 H HB2 . GLN A 1 64 ? 1.950 13.032 5.003 1.00 0.00 ? 64 GLN A HB2 16 ATOM 23833 H HB3 . GLN A 1 64 ? 2.264 12.265 3.452 1.00 0.00 ? 64 GLN A HB3 16 ATOM 23834 H HG2 . GLN A 1 64 ? -0.033 11.931 4.089 1.00 0.00 ? 64 GLN A HG2 16 ATOM 23835 H HG3 . GLN A 1 64 ? 0.824 10.391 4.099 1.00 0.00 ? 64 GLN A HG3 16 ATOM 23836 H HE21 . GLN A 1 64 ? -1.174 12.446 5.819 1.00 0.00 ? 64 GLN A HE21 16 ATOM 23837 H HE22 . GLN A 1 64 ? -1.056 11.691 7.368 1.00 0.00 ? 64 GLN A HE22 16 ATOM 23838 N N . ARG A 1 65 ? 4.697 10.544 3.348 1.00 0.00 ? 65 ARG A N 16 ATOM 23839 C CA . ARG A 1 65 ? 5.236 9.590 2.386 1.00 0.00 ? 65 ARG A CA 16 ATOM 23840 C C . ARG A 1 65 ? 5.926 8.430 3.099 1.00 0.00 ? 65 ARG A C 16 ATOM 23841 O O . ARG A 1 65 ? 5.750 7.269 2.730 1.00 0.00 ? 65 ARG A O 16 ATOM 23842 C CB . ARG A 1 65 ? 6.223 10.284 1.445 1.00 0.00 ? 65 ARG A CB 16 ATOM 23843 C CG . ARG A 1 65 ? 6.678 9.410 0.288 1.00 0.00 ? 65 ARG A CG 16 ATOM 23844 C CD . ARG A 1 65 ? 7.111 10.247 -0.905 1.00 0.00 ? 65 ARG A CD 16 ATOM 23845 N NE . ARG A 1 65 ? 8.483 10.728 -0.768 1.00 0.00 ? 65 ARG A NE 16 ATOM 23846 C CZ . ARG A 1 65 ? 9.552 9.956 -0.933 1.00 0.00 ? 65 ARG A CZ 16 ATOM 23847 N NH1 . ARG A 1 65 ? 9.407 8.674 -1.240 1.00 0.00 ? 65 ARG A NH1 16 ATOM 23848 N NH2 . ARG A 1 65 ? 10.769 10.466 -0.791 1.00 0.00 ? 65 ARG A NH2 16 ATOM 23849 H H . ARG A 1 65 ? 5.086 11.442 3.399 1.00 0.00 ? 65 ARG A H 16 ATOM 23850 H HA . ARG A 1 65 ? 4.412 9.201 1.806 1.00 0.00 ? 65 ARG A HA 16 ATOM 23851 H HB2 . ARG A 1 65 ? 5.753 11.167 1.038 1.00 0.00 ? 65 ARG A HB2 16 ATOM 23852 H HB3 . ARG A 1 65 ? 7.094 10.577 2.011 1.00 0.00 ? 65 ARG A HB3 16 ATOM 23853 H HG2 . ARG A 1 65 ? 7.513 8.806 0.611 1.00 0.00 ? 65 ARG A HG2 16 ATOM 23854 H HG3 . ARG A 1 65 ? 5.861 8.769 -0.010 1.00 0.00 ? 65 ARG A HG3 16 ATOM 23855 H HD2 . ARG A 1 65 ? 7.039 9.643 -1.797 1.00 0.00 ? 65 ARG A HD2 16 ATOM 23856 H HD3 . ARG A 1 65 ? 6.449 11.096 -0.992 1.00 0.00 ? 65 ARG A HD3 16 ATOM 23857 H HE . ARG A 1 65 ? 8.613 11.672 -0.541 1.00 0.00 ? 65 ARG A HE 16 ATOM 23858 H HH11 . ARG A 1 65 ? 8.492 8.287 -1.349 1.00 0.00 ? 65 ARG A HH11 16 ATOM 23859 H HH12 . ARG A 1 65 ? 10.214 8.096 -1.365 1.00 0.00 ? 65 ARG A HH12 16 ATOM 23860 H HH21 . ARG A 1 65 ? 10.882 11.432 -0.559 1.00 0.00 ? 65 ARG A HH21 16 ATOM 23861 H HH22 . ARG A 1 65 ? 11.572 9.885 -0.915 1.00 0.00 ? 65 ARG A HH22 16 ATOM 23862 N N . ASP A 1 66 ? 6.711 8.754 4.120 1.00 0.00 ? 66 ASP A N 16 ATOM 23863 C CA . ASP A 1 66 ? 7.427 7.739 4.885 1.00 0.00 ? 66 ASP A CA 16 ATOM 23864 C C . ASP A 1 66 ? 6.546 6.518 5.127 1.00 0.00 ? 66 ASP A C 16 ATOM 23865 O O . ASP A 1 66 ? 6.942 5.388 4.841 1.00 0.00 ? 66 ASP A O 16 ATOM 23866 C CB . ASP A 1 66 ? 7.899 8.316 6.221 1.00 0.00 ? 66 ASP A CB 16 ATOM 23867 C CG . ASP A 1 66 ? 8.299 7.238 7.208 1.00 0.00 ? 66 ASP A CG 16 ATOM 23868 O OD1 . ASP A 1 66 ? 9.445 6.749 7.120 1.00 0.00 ? 66 ASP A OD1 16 ATOM 23869 O OD2 . ASP A 1 66 ? 7.467 6.881 8.069 1.00 0.00 ? 66 ASP A OD2 16 ATOM 23870 H H . ASP A 1 66 ? 6.811 9.697 4.366 1.00 0.00 ? 66 ASP A H 16 ATOM 23871 H HA . ASP A 1 66 ? 8.289 7.437 4.310 1.00 0.00 ? 66 ASP A HA 16 ATOM 23872 H HB2 . ASP A 1 66 ? 8.753 8.955 6.049 1.00 0.00 ? 66 ASP A HB2 16 ATOM 23873 H HB3 . ASP A 1 66 ? 7.100 8.899 6.656 1.00 0.00 ? 66 ASP A HB3 16 ATOM 23874 N N . SER A 1 67 ? 5.350 6.753 5.657 1.00 0.00 ? 67 SER A N 16 ATOM 23875 C CA . SER A 1 67 ? 4.414 5.672 5.942 1.00 0.00 ? 67 SER A CA 16 ATOM 23876 C C . SER A 1 67 ? 3.924 5.023 4.651 1.00 0.00 ? 67 SER A C 16 ATOM 23877 O O . SER A 1 67 ? 4.005 3.805 4.485 1.00 0.00 ? 67 SER A O 16 ATOM 23878 C CB . SER A 1 67 ? 3.223 6.198 6.746 1.00 0.00 ? 67 SER A CB 16 ATOM 23879 O OG . SER A 1 67 ? 2.541 7.218 6.037 1.00 0.00 ? 67 SER A OG 16 ATOM 23880 H H . SER A 1 67 ? 5.092 7.676 5.863 1.00 0.00 ? 67 SER A H 16 ATOM 23881 H HA . SER A 1 67 ? 4.934 4.930 6.530 1.00 0.00 ? 67 SER A HA 16 ATOM 23882 H HB2 . SER A 1 67 ? 2.536 5.388 6.938 1.00 0.00 ? 67 SER A HB2 16 ATOM 23883 H HB3 . SER A 1 67 ? 3.576 6.601 7.684 1.00 0.00 ? 67 SER A HB3 16 ATOM 23884 H HG . SER A 1 67 ? 3.179 7.835 5.671 1.00 0.00 ? 67 SER A HG 16 ATOM 23885 N N . HIS A 1 68 ? 3.415 5.845 3.739 1.00 0.00 ? 68 HIS A N 16 ATOM 23886 C CA . HIS A 1 68 ? 2.912 5.352 2.462 1.00 0.00 ? 68 HIS A CA 16 ATOM 23887 C C . HIS A 1 68 ? 3.851 4.301 1.877 1.00 0.00 ? 68 HIS A C 16 ATOM 23888 O O . HIS A 1 68 ? 3.429 3.439 1.107 1.00 0.00 ? 68 HIS A O 16 ATOM 23889 C CB . HIS A 1 68 ? 2.745 6.508 1.475 1.00 0.00 ? 68 HIS A CB 16 ATOM 23890 C CG . HIS A 1 68 ? 1.448 7.242 1.627 1.00 0.00 ? 68 HIS A CG 16 ATOM 23891 N ND1 . HIS A 1 68 ? 0.219 6.642 1.455 1.00 0.00 ? 68 HIS A ND1 16 ATOM 23892 C CD2 . HIS A 1 68 ? 1.194 8.535 1.938 1.00 0.00 ? 68 HIS A CD2 16 ATOM 23893 C CE1 . HIS A 1 68 ? -0.735 7.533 1.652 1.00 0.00 ? 68 HIS A CE1 16 ATOM 23894 N NE2 . HIS A 1 68 ? -0.171 8.690 1.947 1.00 0.00 ? 68 HIS A NE2 16 ATOM 23895 H H . HIS A 1 68 ? 3.378 6.805 3.929 1.00 0.00 ? 68 HIS A H 16 ATOM 23896 H HA . HIS A 1 68 ? 1.949 4.899 2.638 1.00 0.00 ? 68 HIS A HA 16 ATOM 23897 H HB2 . HIS A 1 68 ? 3.546 7.218 1.623 1.00 0.00 ? 68 HIS A HB2 16 ATOM 23898 H HB3 . HIS A 1 68 ? 2.793 6.123 0.467 1.00 0.00 ? 68 HIS A HB3 16 ATOM 23899 H HD1 . HIS A 1 68 ? 0.069 5.702 1.221 1.00 0.00 ? 68 HIS A HD1 16 ATOM 23900 H HD2 . HIS A 1 68 ? 1.927 9.303 2.141 1.00 0.00 ? 68 HIS A HD2 16 ATOM 23901 H HE1 . HIS A 1 68 ? -1.797 7.349 1.584 1.00 0.00 ? 68 HIS A HE1 16 ATOM 23902 H HE2 . HIS A 1 68 ? -0.647 9.539 2.056 1.00 0.00 ? 68 HIS A HE2 16 ATOM 23903 N N . MET A 1 69 ? 5.124 4.380 2.249 1.00 0.00 ? 69 MET A N 16 ATOM 23904 C CA . MET A 1 69 ? 6.122 3.434 1.761 1.00 0.00 ? 69 MET A CA 16 ATOM 23905 C C . MET A 1 69 ? 6.351 2.316 2.773 1.00 0.00 ? 69 MET A C 16 ATOM 23906 O O . MET A 1 69 ? 6.459 1.145 2.406 1.00 0.00 ? 69 MET A O 16 ATOM 23907 C CB . MET A 1 69 ? 7.440 4.155 1.472 1.00 0.00 ? 69 MET A CB 16 ATOM 23908 C CG . MET A 1 69 ? 7.491 4.800 0.096 1.00 0.00 ? 69 MET A CG 16 ATOM 23909 S SD . MET A 1 69 ? 7.429 3.591 -1.240 1.00 0.00 ? 69 MET A SD 16 ATOM 23910 C CE . MET A 1 69 ? 8.734 2.469 -0.743 1.00 0.00 ? 69 MET A CE 16 ATOM 23911 H H . MET A 1 69 ? 5.400 5.089 2.866 1.00 0.00 ? 69 MET A H 16 ATOM 23912 H HA . MET A 1 69 ? 5.749 3.003 0.844 1.00 0.00 ? 69 MET A HA 16 ATOM 23913 H HB2 . MET A 1 69 ? 7.585 4.926 2.213 1.00 0.00 ? 69 MET A HB2 16 ATOM 23914 H HB3 . MET A 1 69 ? 8.249 3.443 1.542 1.00 0.00 ? 69 MET A HB3 16 ATOM 23915 H HG2 . MET A 1 69 ? 6.650 5.469 -0.004 1.00 0.00 ? 69 MET A HG2 16 ATOM 23916 H HG3 . MET A 1 69 ? 8.409 5.363 0.012 1.00 0.00 ? 69 MET A HG3 16 ATOM 23917 H HE1 . MET A 1 69 ? 8.964 1.800 -1.559 1.00 0.00 ? 69 MET A HE1 16 ATOM 23918 H HE2 . MET A 1 69 ? 9.615 3.035 -0.482 1.00 0.00 ? 69 MET A HE2 16 ATOM 23919 H HE3 . MET A 1 69 ? 8.408 1.895 0.113 1.00 0.00 ? 69 MET A HE3 16 ATOM 23920 N N . LYS A 1 70 ? 6.426 2.684 4.048 1.00 0.00 ? 70 LYS A N 16 ATOM 23921 C CA . LYS A 1 70 ? 6.641 1.712 5.113 1.00 0.00 ? 70 LYS A CA 16 ATOM 23922 C C . LYS A 1 70 ? 5.715 0.512 4.951 1.00 0.00 ? 70 LYS A C 16 ATOM 23923 O O . LYS A 1 70 ? 6.121 -0.630 5.163 1.00 0.00 ? 70 LYS A O 16 ATOM 23924 C CB . LYS A 1 70 ? 6.415 2.364 6.479 1.00 0.00 ? 70 LYS A CB 16 ATOM 23925 C CG . LYS A 1 70 ? 5.001 2.193 7.008 1.00 0.00 ? 70 LYS A CG 16 ATOM 23926 C CD . LYS A 1 70 ? 4.846 2.803 8.391 1.00 0.00 ? 70 LYS A CD 16 ATOM 23927 C CE . LYS A 1 70 ? 3.591 2.295 9.086 1.00 0.00 ? 70 LYS A CE 16 ATOM 23928 N NZ . LYS A 1 70 ? 3.811 0.970 9.728 1.00 0.00 ? 70 LYS A NZ 16 ATOM 23929 H H . LYS A 1 70 ? 6.332 3.632 4.277 1.00 0.00 ? 70 LYS A H 16 ATOM 23930 H HA . LYS A 1 70 ? 7.664 1.373 5.051 1.00 0.00 ? 70 LYS A HA 16 ATOM 23931 H HB2 . LYS A 1 70 ? 7.099 1.926 7.191 1.00 0.00 ? 70 LYS A HB2 16 ATOM 23932 H HB3 . LYS A 1 70 ? 6.621 3.422 6.398 1.00 0.00 ? 70 LYS A HB3 16 ATOM 23933 H HG2 . LYS A 1 70 ? 4.313 2.678 6.332 1.00 0.00 ? 70 LYS A HG2 16 ATOM 23934 H HG3 . LYS A 1 70 ? 4.772 1.138 7.062 1.00 0.00 ? 70 LYS A HG3 16 ATOM 23935 H HD2 . LYS A 1 70 ? 5.706 2.541 8.989 1.00 0.00 ? 70 LYS A HD2 16 ATOM 23936 H HD3 . LYS A 1 70 ? 4.784 3.877 8.296 1.00 0.00 ? 70 LYS A HD3 16 ATOM 23937 H HE2 . LYS A 1 70 ? 3.301 3.008 9.842 1.00 0.00 ? 70 LYS A HE2 16 ATOM 23938 H HE3 . LYS A 1 70 ? 2.802 2.204 8.354 1.00 0.00 ? 70 LYS A HE3 16 ATOM 23939 H HZ1 . LYS A 1 70 ? 4.268 0.319 9.057 1.00 0.00 ? 70 LYS A HZ1 16 ATOM 23940 H HZ2 . LYS A 1 70 ? 2.902 0.561 10.024 1.00 0.00 ? 70 LYS A HZ2 16 ATOM 23941 H HZ3 . LYS A 1 70 ? 4.421 1.074 10.564 1.00 0.00 ? 70 LYS A HZ3 16 ATOM 23942 N N . GLN A 1 71 ? 4.469 0.778 4.572 1.00 0.00 ? 71 GLN A N 16 ATOM 23943 C CA . GLN A 1 71 ? 3.485 -0.281 4.381 1.00 0.00 ? 71 GLN A CA 16 ATOM 23944 C C . GLN A 1 71 ? 3.822 -1.121 3.153 1.00 0.00 ? 71 GLN A C 16 ATOM 23945 O O . GLN A 1 71 ? 3.690 -2.345 3.171 1.00 0.00 ? 71 GLN A O 16 ATOM 23946 C CB . GLN A 1 71 ? 2.084 0.315 4.238 1.00 0.00 ? 71 GLN A CB 16 ATOM 23947 C CG . GLN A 1 71 ? 1.399 0.586 5.568 1.00 0.00 ? 71 GLN A CG 16 ATOM 23948 C CD . GLN A 1 71 ? 1.118 -0.683 6.348 1.00 0.00 ? 71 GLN A CD 16 ATOM 23949 O OE1 . GLN A 1 71 ? 0.380 -1.556 5.892 1.00 0.00 ? 71 GLN A OE1 16 ATOM 23950 N NE2 . GLN A 1 71 ? 1.707 -0.792 7.534 1.00 0.00 ? 71 GLN A NE2 16 ATOM 23951 H H . GLN A 1 71 ? 4.205 1.709 4.419 1.00 0.00 ? 71 GLN A H 16 ATOM 23952 H HA . GLN A 1 71 ? 3.509 -0.916 5.254 1.00 0.00 ? 71 GLN A HA 16 ATOM 23953 H HB2 . GLN A 1 71 ? 2.155 1.247 3.698 1.00 0.00 ? 71 GLN A HB2 16 ATOM 23954 H HB3 . GLN A 1 71 ? 1.470 -0.372 3.675 1.00 0.00 ? 71 GLN A HB3 16 ATOM 23955 H HG2 . GLN A 1 71 ? 2.036 1.222 6.163 1.00 0.00 ? 71 GLN A HG2 16 ATOM 23956 H HG3 . GLN A 1 71 ? 0.463 1.090 5.379 1.00 0.00 ? 71 GLN A HG3 16 ATOM 23957 H HE21 . GLN A 1 71 ? 2.281 -0.056 7.834 1.00 0.00 ? 71 GLN A HE21 16 ATOM 23958 H HE22 . GLN A 1 71 ? 1.542 -1.601 8.060 1.00 0.00 ? 71 GLN A HE22 16 ATOM 23959 N N . LEU A 1 72 ? 4.257 -0.456 2.089 1.00 0.00 ? 72 LEU A N 16 ATOM 23960 C CA . LEU A 1 72 ? 4.612 -1.141 0.851 1.00 0.00 ? 72 LEU A CA 16 ATOM 23961 C C . LEU A 1 72 ? 5.653 -2.226 1.109 1.00 0.00 ? 72 LEU A C 16 ATOM 23962 O O . LEU A 1 72 ? 5.536 -3.345 0.607 1.00 0.00 ? 72 LEU A O 16 ATOM 23963 C CB . LEU A 1 72 ? 5.146 -0.139 -0.174 1.00 0.00 ? 72 LEU A CB 16 ATOM 23964 C CG . LEU A 1 72 ? 6.024 -0.718 -1.284 1.00 0.00 ? 72 LEU A CG 16 ATOM 23965 C CD1 . LEU A 1 72 ? 5.265 -1.779 -2.066 1.00 0.00 ? 72 LEU A CD1 16 ATOM 23966 C CD2 . LEU A 1 72 ? 6.508 0.386 -2.213 1.00 0.00 ? 72 LEU A CD2 16 ATOM 23967 H H . LEU A 1 72 ? 4.341 0.519 2.135 1.00 0.00 ? 72 LEU A H 16 ATOM 23968 H HA . LEU A 1 72 ? 3.718 -1.602 0.459 1.00 0.00 ? 72 LEU A HA 16 ATOM 23969 H HB2 . LEU A 1 72 ? 4.299 0.341 -0.639 1.00 0.00 ? 72 LEU A HB2 16 ATOM 23970 H HB3 . LEU A 1 72 ? 5.729 0.599 0.358 1.00 0.00 ? 72 LEU A HB3 16 ATOM 23971 H HG . LEU A 1 72 ? 6.891 -1.188 -0.841 1.00 0.00 ? 72 LEU A HG 16 ATOM 23972 H HD11 . LEU A 1 72 ? 4.983 -2.583 -1.402 1.00 0.00 ? 72 LEU A HD11 16 ATOM 23973 H HD12 . LEU A 1 72 ? 5.895 -2.167 -2.852 1.00 0.00 ? 72 LEU A HD12 16 ATOM 23974 H HD13 . LEU A 1 72 ? 4.378 -1.341 -2.499 1.00 0.00 ? 72 LEU A HD13 16 ATOM 23975 H HD21 . LEU A 1 72 ? 6.225 1.346 -1.807 1.00 0.00 ? 72 LEU A HD21 16 ATOM 23976 H HD22 . LEU A 1 72 ? 6.057 0.261 -3.187 1.00 0.00 ? 72 LEU A HD22 16 ATOM 23977 H HD23 . LEU A 1 72 ? 7.582 0.335 -2.303 1.00 0.00 ? 72 LEU A HD23 16 ATOM 23978 N N . LEU A 1 73 ? 6.669 -1.889 1.895 1.00 0.00 ? 73 LEU A N 16 ATOM 23979 C CA . LEU A 1 73 ? 7.730 -2.835 2.222 1.00 0.00 ? 73 LEU A CA 16 ATOM 23980 C C . LEU A 1 73 ? 7.232 -3.896 3.198 1.00 0.00 ? 73 LEU A C 16 ATOM 23981 O O . LEU A 1 73 ? 7.569 -5.074 3.077 1.00 0.00 ? 73 LEU A O 16 ATOM 23982 C CB . LEU A 1 73 ? 8.930 -2.099 2.820 1.00 0.00 ? 73 LEU A CB 16 ATOM 23983 C CG . LEU A 1 73 ? 9.340 -0.803 2.120 1.00 0.00 ? 73 LEU A CG 16 ATOM 23984 C CD1 . LEU A 1 73 ? 10.602 -0.233 2.748 1.00 0.00 ? 73 LEU A CD1 16 ATOM 23985 C CD2 . LEU A 1 73 ? 9.546 -1.044 0.631 1.00 0.00 ? 73 LEU A CD2 16 ATOM 23986 H H . LEU A 1 73 ? 6.707 -0.983 2.266 1.00 0.00 ? 73 LEU A H 16 ATOM 23987 H HA . LEU A 1 73 ? 8.035 -3.320 1.307 1.00 0.00 ? 73 LEU A HA 16 ATOM 23988 H HB2 . LEU A 1 73 ? 8.694 -1.859 3.846 1.00 0.00 ? 73 LEU A HB2 16 ATOM 23989 H HB3 . LEU A 1 73 ? 9.775 -2.772 2.796 1.00 0.00 ? 73 LEU A HB3 16 ATOM 23990 H HG . LEU A 1 73 ? 8.551 -0.073 2.235 1.00 0.00 ? 73 LEU A HG 16 ATOM 23991 H HD11 . LEU A 1 73 ? 11.117 -1.010 3.291 1.00 0.00 ? 73 LEU A HD11 16 ATOM 23992 H HD12 . LEU A 1 73 ? 10.337 0.565 3.427 1.00 0.00 ? 73 LEU A HD12 16 ATOM 23993 H HD13 . LEU A 1 73 ? 11.247 0.154 1.973 1.00 0.00 ? 73 LEU A HD13 16 ATOM 23994 H HD21 . LEU A 1 73 ? 10.524 -1.472 0.468 1.00 0.00 ? 73 LEU A HD21 16 ATOM 23995 H HD22 . LEU A 1 73 ? 9.471 -0.105 0.101 1.00 0.00 ? 73 LEU A HD22 16 ATOM 23996 H HD23 . LEU A 1 73 ? 8.790 -1.724 0.269 1.00 0.00 ? 73 LEU A HD23 16 ATOM 23997 N N . LEU A 1 74 ? 6.425 -3.471 4.165 1.00 0.00 ? 74 LEU A N 16 ATOM 23998 C CA . LEU A 1 74 ? 5.877 -4.385 5.161 1.00 0.00 ? 74 LEU A CA 16 ATOM 23999 C C . LEU A 1 74 ? 5.022 -5.462 4.501 1.00 0.00 ? 74 LEU A C 16 ATOM 24000 O O . LEU A 1 74 ? 4.951 -6.593 4.982 1.00 0.00 ? 74 LEU A O 16 ATOM 24001 C CB . LEU A 1 74 ? 5.045 -3.614 6.186 1.00 0.00 ? 74 LEU A CB 16 ATOM 24002 C CG . LEU A 1 74 ? 5.821 -2.974 7.338 1.00 0.00 ? 74 LEU A CG 16 ATOM 24003 C CD1 . LEU A 1 74 ? 4.928 -2.026 8.123 1.00 0.00 ? 74 LEU A CD1 16 ATOM 24004 C CD2 . LEU A 1 74 ? 6.398 -4.045 8.252 1.00 0.00 ? 74 LEU A CD2 16 ATOM 24005 H H . LEU A 1 74 ? 6.192 -2.521 4.210 1.00 0.00 ? 74 LEU A H 16 ATOM 24006 H HA . LEU A 1 74 ? 6.706 -4.860 5.666 1.00 0.00 ? 74 LEU A HA 16 ATOM 24007 H HB2 . LEU A 1 74 ? 4.522 -2.827 5.664 1.00 0.00 ? 74 LEU A HB2 16 ATOM 24008 H HB3 . LEU A 1 74 ? 4.326 -4.300 6.611 1.00 0.00 ? 74 LEU A HB3 16 ATOM 24009 H HG . LEU A 1 74 ? 6.644 -2.400 6.934 1.00 0.00 ? 74 LEU A HG 16 ATOM 24010 H HD11 . LEU A 1 74 ? 5.038 -1.024 7.735 1.00 0.00 ? 74 LEU A HD11 16 ATOM 24011 H HD12 . LEU A 1 74 ? 5.213 -2.042 9.164 1.00 0.00 ? 74 LEU A HD12 16 ATOM 24012 H HD13 . LEU A 1 74 ? 3.899 -2.339 8.027 1.00 0.00 ? 74 LEU A HD13 16 ATOM 24013 H HD21 . LEU A 1 74 ? 6.655 -4.917 7.667 1.00 0.00 ? 74 LEU A HD21 16 ATOM 24014 H HD22 . LEU A 1 74 ? 5.664 -4.316 8.997 1.00 0.00 ? 74 LEU A HD22 16 ATOM 24015 H HD23 . LEU A 1 74 ? 7.283 -3.665 8.739 1.00 0.00 ? 74 LEU A HD23 16 ATOM 24016 N N . ILE A 1 75 ? 4.377 -5.103 3.396 1.00 0.00 ? 75 ILE A N 16 ATOM 24017 C CA . ILE A 1 75 ? 3.530 -6.039 2.668 1.00 0.00 ? 75 ILE A CA 16 ATOM 24018 C C . ILE A 1 75 ? 4.357 -6.917 1.735 1.00 0.00 ? 75 ILE A C 16 ATOM 24019 O O . ILE A 1 75 ? 4.138 -8.125 1.648 1.00 0.00 ? 75 ILE A O 16 ATOM 24020 C CB . ILE A 1 75 ? 2.456 -5.304 1.845 1.00 0.00 ? 75 ILE A CB 16 ATOM 24021 C CG1 . ILE A 1 75 ? 1.517 -4.526 2.770 1.00 0.00 ? 75 ILE A CG1 16 ATOM 24022 C CG2 . ILE A 1 75 ? 1.672 -6.292 0.995 1.00 0.00 ? 75 ILE A CG2 16 ATOM 24023 C CD1 . ILE A 1 75 ? 0.766 -3.414 2.073 1.00 0.00 ? 75 ILE A CD1 16 ATOM 24024 H H . ILE A 1 75 ? 4.474 -4.187 3.062 1.00 0.00 ? 75 ILE A H 16 ATOM 24025 H HA . ILE A 1 75 ? 3.032 -6.669 3.391 1.00 0.00 ? 75 ILE A HA 16 ATOM 24026 H HB . ILE A 1 75 ? 2.953 -4.611 1.184 1.00 0.00 ? 75 ILE A HB 16 ATOM 24027 H HG12 . ILE A 1 75 ? 0.790 -5.205 3.189 1.00 0.00 ? 75 ILE A HG12 16 ATOM 24028 H HG13 . ILE A 1 75 ? 2.095 -4.087 3.570 1.00 0.00 ? 75 ILE A HG13 16 ATOM 24029 H HG21 . ILE A 1 75 ? 1.800 -6.049 -0.050 1.00 0.00 ? 75 ILE A HG21 16 ATOM 24030 H HG22 . ILE A 1 75 ? 2.035 -7.292 1.178 1.00 0.00 ? 75 ILE A HG22 16 ATOM 24031 H HG23 . ILE A 1 75 ? 0.624 -6.236 1.251 1.00 0.00 ? 75 ILE A HG23 16 ATOM 24032 H HD11 . ILE A 1 75 ? 1.329 -3.083 1.212 1.00 0.00 ? 75 ILE A HD11 16 ATOM 24033 H HD12 . ILE A 1 75 ? -0.201 -3.776 1.755 1.00 0.00 ? 75 ILE A HD12 16 ATOM 24034 H HD13 . ILE A 1 75 ? 0.634 -2.586 2.755 1.00 0.00 ? 75 ILE A HD13 16 ATOM 24035 N N . GLN A 1 76 ? 5.308 -6.302 1.040 1.00 0.00 ? 76 GLN A N 16 ATOM 24036 C CA . GLN A 1 76 ? 6.168 -7.028 0.114 1.00 0.00 ? 76 GLN A CA 16 ATOM 24037 C C . GLN A 1 76 ? 6.869 -8.186 0.817 1.00 0.00 ? 76 GLN A C 16 ATOM 24038 O O . GLN A 1 76 ? 7.035 -9.262 0.244 1.00 0.00 ? 76 GLN A O 16 ATOM 24039 C CB . GLN A 1 76 ? 7.205 -6.085 -0.499 1.00 0.00 ? 76 GLN A CB 16 ATOM 24040 C CG . GLN A 1 76 ? 6.675 -5.278 -1.673 1.00 0.00 ? 76 GLN A CG 16 ATOM 24041 C CD . GLN A 1 76 ? 7.760 -4.482 -2.371 1.00 0.00 ? 76 GLN A CD 16 ATOM 24042 O OE1 . GLN A 1 76 ? 8.306 -4.913 -3.388 1.00 0.00 ? 76 GLN A OE1 16 ATOM 24043 N NE2 . GLN A 1 76 ? 8.079 -3.313 -1.829 1.00 0.00 ? 76 GLN A NE2 16 ATOM 24044 H H . GLN A 1 76 ? 5.433 -5.337 1.153 1.00 0.00 ? 76 GLN A H 16 ATOM 24045 H HA . GLN A 1 76 ? 5.546 -7.425 -0.674 1.00 0.00 ? 76 GLN A HA 16 ATOM 24046 H HB2 . GLN A 1 76 ? 7.541 -5.396 0.262 1.00 0.00 ? 76 GLN A HB2 16 ATOM 24047 H HB3 . GLN A 1 76 ? 8.047 -6.668 -0.842 1.00 0.00 ? 76 GLN A HB3 16 ATOM 24048 H HG2 . GLN A 1 76 ? 6.231 -5.956 -2.388 1.00 0.00 ? 76 GLN A HG2 16 ATOM 24049 H HG3 . GLN A 1 76 ? 5.922 -4.594 -1.312 1.00 0.00 ? 76 GLN A HG3 16 ATOM 24050 H HE21 . GLN A 1 76 ? 7.603 -3.035 -1.018 1.00 0.00 ? 76 GLN A HE21 16 ATOM 24051 H HE22 . GLN A 1 76 ? 8.777 -2.778 -2.259 1.00 0.00 ? 76 GLN A HE22 16 ATOM 24052 N N . GLU A 1 77 ? 7.279 -7.957 2.060 1.00 0.00 ? 77 GLU A N 16 ATOM 24053 C CA . GLU A 1 77 ? 7.963 -8.982 2.840 1.00 0.00 ? 77 GLU A CA 16 ATOM 24054 C C . GLU A 1 77 ? 6.977 -10.034 3.340 1.00 0.00 ? 77 GLU A C 16 ATOM 24055 O O . GLU A 1 77 ? 7.310 -11.215 3.436 1.00 0.00 ? 77 GLU A O 16 ATOM 24056 C CB . GLU A 1 77 ? 8.695 -8.349 4.025 1.00 0.00 ? 77 GLU A CB 16 ATOM 24057 C CG . GLU A 1 77 ? 7.788 -8.037 5.204 1.00 0.00 ? 77 GLU A CG 16 ATOM 24058 C CD . GLU A 1 77 ? 8.563 -7.661 6.452 1.00 0.00 ? 77 GLU A CD 16 ATOM 24059 O OE1 . GLU A 1 77 ? 9.476 -6.815 6.352 1.00 0.00 ? 77 GLU A OE1 16 ATOM 24060 O OE2 . GLU A 1 77 ? 8.255 -8.213 7.529 1.00 0.00 ? 77 GLU A OE2 16 ATOM 24061 H H . GLU A 1 77 ? 7.118 -7.078 2.463 1.00 0.00 ? 77 GLU A H 16 ATOM 24062 H HA . GLU A 1 77 ? 8.686 -9.460 2.196 1.00 0.00 ? 77 GLU A HA 16 ATOM 24063 H HB2 . GLU A 1 77 ? 9.467 -9.026 4.360 1.00 0.00 ? 77 GLU A HB2 16 ATOM 24064 H HB3 . GLU A 1 77 ? 9.154 -7.427 3.698 1.00 0.00 ? 77 GLU A HB3 16 ATOM 24065 H HG2 . GLU A 1 77 ? 7.143 -7.213 4.938 1.00 0.00 ? 77 GLU A HG2 16 ATOM 24066 H HG3 . GLU A 1 77 ? 7.187 -8.908 5.420 1.00 0.00 ? 77 GLU A HG3 16 ATOM 24067 N N . ARG A 1 78 ? 5.763 -9.595 3.656 1.00 0.00 ? 78 ARG A N 16 ATOM 24068 C CA . ARG A 1 78 ? 4.729 -10.498 4.148 1.00 0.00 ? 78 ARG A CA 16 ATOM 24069 C C . ARG A 1 78 ? 4.201 -11.384 3.023 1.00 0.00 ? 78 ARG A C 16 ATOM 24070 O O . ARG A 1 78 ? 3.513 -12.374 3.271 1.00 0.00 ? 78 ARG A O 16 ATOM 24071 C CB . ARG A 1 78 ? 3.579 -9.701 4.767 1.00 0.00 ? 78 ARG A CB 16 ATOM 24072 C CG . ARG A 1 78 ? 3.931 -9.060 6.099 1.00 0.00 ? 78 ARG A CG 16 ATOM 24073 C CD . ARG A 1 78 ? 4.053 -10.100 7.203 1.00 0.00 ? 78 ARG A CD 16 ATOM 24074 N NE . ARG A 1 78 ? 2.768 -10.374 7.841 1.00 0.00 ? 78 ARG A NE 16 ATOM 24075 C CZ . ARG A 1 78 ? 2.645 -11.011 9.000 1.00 0.00 ? 78 ARG A CZ 16 ATOM 24076 N NH1 . ARG A 1 78 ? 3.722 -11.436 9.645 1.00 0.00 ? 78 ARG A NH1 16 ATOM 24077 N NH2 . ARG A 1 78 ? 1.441 -11.223 9.517 1.00 0.00 ? 78 ARG A NH2 16 ATOM 24078 H H . ARG A 1 78 ? 5.558 -8.642 3.558 1.00 0.00 ? 78 ARG A H 16 ATOM 24079 H HA . ARG A 1 78 ? 5.170 -11.126 4.907 1.00 0.00 ? 78 ARG A HA 16 ATOM 24080 H HB2 . ARG A 1 78 ? 3.289 -8.919 4.082 1.00 0.00 ? 78 ARG A HB2 16 ATOM 24081 H HB3 . ARG A 1 78 ? 2.741 -10.364 4.921 1.00 0.00 ? 78 ARG A HB3 16 ATOM 24082 H HG2 . ARG A 1 78 ? 4.874 -8.543 6.002 1.00 0.00 ? 78 ARG A HG2 16 ATOM 24083 H HG3 . ARG A 1 78 ? 3.157 -8.356 6.364 1.00 0.00 ? 78 ARG A HG3 16 ATOM 24084 H HD2 . ARG A 1 78 ? 4.435 -11.015 6.776 1.00 0.00 ? 78 ARG A HD2 16 ATOM 24085 H HD3 . ARG A 1 78 ? 4.744 -9.734 7.948 1.00 0.00 ? 78 ARG A HD3 16 ATOM 24086 H HE . ARG A 1 78 ? 1.959 -10.068 7.381 1.00 0.00 ? 78 ARG A HE 16 ATOM 24087 H HH11 . ARG A 1 78 ? 4.630 -11.277 9.258 1.00 0.00 ? 78 ARG A HH11 16 ATOM 24088 H HH12 . ARG A 1 78 ? 3.626 -11.915 10.518 1.00 0.00 ? 78 ARG A HH12 16 ATOM 24089 H HH21 . ARG A 1 78 ? 0.626 -10.904 9.034 1.00 0.00 ? 78 ARG A HH21 16 ATOM 24090 H HH22 . ARG A 1 78 ? 1.349 -11.702 10.389 1.00 0.00 ? 78 ARG A HH22 16 ATOM 24091 N N . TRP A 1 79 ? 4.527 -11.020 1.788 1.00 0.00 ? 79 TRP A N 16 ATOM 24092 C CA . TRP A 1 79 ? 4.085 -11.781 0.625 1.00 0.00 ? 79 TRP A CA 16 ATOM 24093 C C . TRP A 1 79 ? 5.120 -12.830 0.236 1.00 0.00 ? 79 TRP A C 16 ATOM 24094 O O . TRP A 1 79 ? 4.841 -14.030 0.254 1.00 0.00 ? 79 TRP A O 16 ATOM 24095 C CB . TRP A 1 79 ? 3.823 -10.843 -0.554 1.00 0.00 ? 79 TRP A CB 16 ATOM 24096 C CG . TRP A 1 79 ? 2.988 -11.465 -1.633 1.00 0.00 ? 79 TRP A CG 16 ATOM 24097 C CD1 . TRP A 1 79 ? 2.057 -12.453 -1.483 1.00 0.00 ? 79 TRP A CD1 16 ATOM 24098 C CD2 . TRP A 1 79 ? 3.011 -11.141 -3.028 1.00 0.00 ? 79 TRP A CD2 16 ATOM 24099 N NE1 . TRP A 1 79 ? 1.500 -12.763 -2.700 1.00 0.00 ? 79 TRP A NE1 16 ATOM 24100 C CE2 . TRP A 1 79 ? 2.067 -11.972 -3.663 1.00 0.00 ? 79 TRP A CE2 16 ATOM 24101 C CE3 . TRP A 1 79 ? 3.735 -10.230 -3.801 1.00 0.00 ? 79 TRP A CE3 16 ATOM 24102 C CZ2 . TRP A 1 79 ? 1.832 -11.917 -5.035 1.00 0.00 ? 79 TRP A CZ2 16 ATOM 24103 C CZ3 . TRP A 1 79 ? 3.501 -10.177 -5.162 1.00 0.00 ? 79 TRP A CZ3 16 ATOM 24104 C CH2 . TRP A 1 79 ? 2.556 -11.015 -5.767 1.00 0.00 ? 79 TRP A CH2 16 ATOM 24105 H H . TRP A 1 79 ? 5.078 -10.220 1.655 1.00 0.00 ? 79 TRP A H 16 ATOM 24106 H HA . TRP A 1 79 ? 3.164 -12.281 0.888 1.00 0.00 ? 79 TRP A HA 16 ATOM 24107 H HB2 . TRP A 1 79 ? 3.307 -9.964 -0.199 1.00 0.00 ? 79 TRP A HB2 16 ATOM 24108 H HB3 . TRP A 1 79 ? 4.767 -10.551 -0.989 1.00 0.00 ? 79 TRP A HB3 16 ATOM 24109 H HD1 . TRP A 1 79 ? 1.808 -12.914 -0.540 1.00 0.00 ? 79 TRP A HD1 16 ATOM 24110 H HE1 . TRP A 1 79 ? 0.807 -13.439 -2.852 1.00 0.00 ? 79 TRP A HE1 16 ATOM 24111 H HE3 . TRP A 1 79 ? 4.468 -9.575 -3.352 1.00 0.00 ? 79 TRP A HE3 16 ATOM 24112 H HZ2 . TRP A 1 79 ? 1.107 -12.556 -5.516 1.00 0.00 ? 79 TRP A HZ2 16 ATOM 24113 H HZ3 . TRP A 1 79 ? 4.051 -9.479 -5.775 1.00 0.00 ? 79 TRP A HZ3 16 ATOM 24114 H HH2 . TRP A 1 79 ? 2.405 -10.940 -6.833 1.00 0.00 ? 79 TRP A HH2 16 ATOM 24115 N N . LYS A 1 80 ? 6.317 -12.373 -0.116 1.00 0.00 ? 80 LYS A N 16 ATOM 24116 C CA . LYS A 1 80 ? 7.395 -13.272 -0.509 1.00 0.00 ? 80 LYS A CA 16 ATOM 24117 C C . LYS A 1 80 ? 7.523 -14.430 0.476 1.00 0.00 ? 80 LYS A C 16 ATOM 24118 O O . LYS A 1 80 ? 7.927 -15.532 0.103 1.00 0.00 ? 80 LYS A O 16 ATOM 24119 C CB . LYS A 1 80 ? 8.719 -12.509 -0.590 1.00 0.00 ? 80 LYS A CB 16 ATOM 24120 C CG . LYS A 1 80 ? 9.170 -11.930 0.740 1.00 0.00 ? 80 LYS A CG 16 ATOM 24121 C CD . LYS A 1 80 ? 10.683 -11.811 0.813 1.00 0.00 ? 80 LYS A CD 16 ATOM 24122 C CE . LYS A 1 80 ? 11.165 -11.697 2.251 1.00 0.00 ? 80 LYS A CE 16 ATOM 24123 N NZ . LYS A 1 80 ? 11.228 -10.280 2.704 1.00 0.00 ? 80 LYS A NZ 16 ATOM 24124 H H . LYS A 1 80 ? 6.479 -11.406 -0.111 1.00 0.00 ? 80 LYS A H 16 ATOM 24125 H HA . LYS A 1 80 ? 7.158 -13.669 -1.484 1.00 0.00 ? 80 LYS A HA 16 ATOM 24126 H HB2 . LYS A 1 80 ? 9.487 -13.180 -0.945 1.00 0.00 ? 80 LYS A HB2 16 ATOM 24127 H HB3 . LYS A 1 80 ? 8.610 -11.696 -1.293 1.00 0.00 ? 80 LYS A HB3 16 ATOM 24128 H HG2 . LYS A 1 80 ? 8.737 -10.948 0.861 1.00 0.00 ? 80 LYS A HG2 16 ATOM 24129 H HG3 . LYS A 1 80 ? 8.830 -12.576 1.537 1.00 0.00 ? 80 LYS A HG3 16 ATOM 24130 H HD2 . LYS A 1 80 ? 11.126 -12.688 0.365 1.00 0.00 ? 80 LYS A HD2 16 ATOM 24131 H HD3 . LYS A 1 80 ? 10.993 -10.931 0.267 1.00 0.00 ? 80 LYS A HD3 16 ATOM 24132 H HE2 . LYS A 1 80 ? 10.485 -12.240 2.889 1.00 0.00 ? 80 LYS A HE2 16 ATOM 24133 H HE3 . LYS A 1 80 ? 12.151 -12.133 2.322 1.00 0.00 ? 80 LYS A HE3 16 ATOM 24134 H HZ1 . LYS A 1 80 ? 10.793 -10.187 3.644 1.00 0.00 ? 80 LYS A HZ1 16 ATOM 24135 H HZ2 . LYS A 1 80 ? 10.717 -9.669 2.036 1.00 0.00 ? 80 LYS A HZ2 16 ATOM 24136 H HZ3 . LYS A 1 80 ? 12.218 -9.966 2.759 1.00 0.00 ? 80 LYS A HZ3 16 ATOM 24137 N N . ARG A 1 81 ? 7.176 -14.174 1.732 1.00 0.00 ? 81 ARG A N 16 ATOM 24138 C CA . ARG A 1 81 ? 7.252 -15.196 2.770 1.00 0.00 ? 81 ARG A CA 16 ATOM 24139 C C . ARG A 1 81 ? 6.139 -16.226 2.601 1.00 0.00 ? 81 ARG A C 16 ATOM 24140 O O . ARG A 1 81 ? 6.362 -17.426 2.752 1.00 0.00 ? 81 ARG A O 16 ATOM 24141 C CB . ARG A 1 81 ? 7.162 -14.554 4.155 1.00 0.00 ? 81 ARG A CB 16 ATOM 24142 C CG . ARG A 1 81 ? 8.467 -13.931 4.624 1.00 0.00 ? 81 ARG A CG 16 ATOM 24143 C CD . ARG A 1 81 ? 8.439 -13.635 6.115 1.00 0.00 ? 81 ARG A CD 16 ATOM 24144 N NE . ARG A 1 81 ? 9.775 -13.666 6.705 1.00 0.00 ? 81 ARG A NE 16 ATOM 24145 C CZ . ARG A 1 81 ? 10.698 -12.738 6.482 1.00 0.00 ? 81 ARG A CZ 16 ATOM 24146 N NH1 . ARG A 1 81 ? 10.432 -11.710 5.688 1.00 0.00 ? 81 ARG A NH1 16 ATOM 24147 N NH2 . ARG A 1 81 ? 11.891 -12.836 7.055 1.00 0.00 ? 81 ARG A NH2 16 ATOM 24148 H H . ARG A 1 81 ? 6.862 -13.276 1.968 1.00 0.00 ? 81 ARG A H 16 ATOM 24149 H HA . ARG A 1 81 ? 8.205 -15.695 2.675 1.00 0.00 ? 81 ARG A HA 16 ATOM 24150 H HB2 . ARG A 1 81 ? 6.408 -13.781 4.133 1.00 0.00 ? 81 ARG A HB2 16 ATOM 24151 H HB3 . ARG A 1 81 ? 6.872 -15.309 4.870 1.00 0.00 ? 81 ARG A HB3 16 ATOM 24152 H HG2 . ARG A 1 81 ? 9.276 -14.616 4.419 1.00 0.00 ? 81 ARG A HG2 16 ATOM 24153 H HG3 . ARG A 1 81 ? 8.628 -13.009 4.085 1.00 0.00 ? 81 ARG A HG3 16 ATOM 24154 H HD2 . ARG A 1 81 ? 8.013 -12.654 6.266 1.00 0.00 ? 81 ARG A HD2 16 ATOM 24155 H HD3 . ARG A 1 81 ? 7.822 -14.374 6.604 1.00 0.00 ? 81 ARG A HD3 16 ATOM 24156 H HE . ARG A 1 81 ? 9.993 -14.417 7.294 1.00 0.00 ? 81 ARG A HE 16 ATOM 24157 H HH11 . ARG A 1 81 ? 9.534 -11.632 5.256 1.00 0.00 ? 81 ARG A HH11 16 ATOM 24158 H HH12 . ARG A 1 81 ? 11.129 -11.011 5.524 1.00 0.00 ? 81 ARG A HH12 16 ATOM 24159 H HH21 . ARG A 1 81 ? 12.096 -13.609 7.654 1.00 0.00 ? 81 ARG A HH21 16 ATOM 24160 H HH22 . ARG A 1 81 ? 12.586 -12.137 6.887 1.00 0.00 ? 81 ARG A HH22 16 ATOM 24161 N N . ALA A 1 82 ? 4.939 -15.747 2.288 1.00 0.00 ? 82 ALA A N 16 ATOM 24162 C CA . ALA A 1 82 ? 3.792 -16.625 2.098 1.00 0.00 ? 82 ALA A CA 16 ATOM 24163 C C . ALA A 1 82 ? 3.901 -17.395 0.786 1.00 0.00 ? 82 ALA A C 16 ATOM 24164 O O . ALA A 1 82 ? 3.527 -18.565 0.707 1.00 0.00 ? 82 ALA A O 16 ATOM 24165 C CB . ALA A 1 82 ? 2.500 -15.822 2.134 1.00 0.00 ? 82 ALA A CB 16 ATOM 24166 H H . ALA A 1 82 ? 4.824 -14.780 2.182 1.00 0.00 ? 82 ALA A H 16 ATOM 24167 H HA . ALA A 1 82 ? 3.772 -17.330 2.917 1.00 0.00 ? 82 ALA A HA 16 ATOM 24168 H HB1 . ALA A 1 82 ? 2.388 -15.366 3.108 1.00 0.00 ? 82 ALA A HB1 16 ATOM 24169 H HB2 . ALA A 1 82 ? 2.534 -15.052 1.378 1.00 0.00 ? 82 ALA A HB2 16 ATOM 24170 H HB3 . ALA A 1 82 ? 1.664 -16.477 1.945 1.00 0.00 ? 82 ALA A HB3 16 ATOM 24171 N N . LYS A 1 83 ? 4.416 -16.730 -0.243 1.00 0.00 ? 83 LYS A N 16 ATOM 24172 C CA . LYS A 1 83 ? 4.576 -17.351 -1.553 1.00 0.00 ? 83 LYS A CA 16 ATOM 24173 C C . LYS A 1 83 ? 5.112 -18.773 -1.419 1.00 0.00 ? 83 LYS A C 16 ATOM 24174 O O . LYS A 1 83 ? 4.626 -19.694 -2.075 1.00 0.00 ? 83 LYS A O 16 ATOM 24175 C CB . LYS A 1 83 ? 5.519 -16.518 -2.423 1.00 0.00 ? 83 LYS A CB 16 ATOM 24176 C CG . LYS A 1 83 ? 4.993 -15.127 -2.732 1.00 0.00 ? 83 LYS A CG 16 ATOM 24177 C CD . LYS A 1 83 ? 3.902 -15.166 -3.789 1.00 0.00 ? 83 LYS A CD 16 ATOM 24178 C CE . LYS A 1 83 ? 4.480 -15.045 -5.191 1.00 0.00 ? 83 LYS A CE 16 ATOM 24179 N NZ . LYS A 1 83 ? 5.058 -16.333 -5.666 1.00 0.00 ? 83 LYS A NZ 16 ATOM 24180 H H . LYS A 1 83 ? 4.696 -15.799 -0.119 1.00 0.00 ? 83 LYS A H 16 ATOM 24181 H HA . LYS A 1 83 ? 3.605 -17.389 -2.023 1.00 0.00 ? 83 LYS A HA 16 ATOM 24182 H HB2 . LYS A 1 83 ? 6.466 -16.417 -1.913 1.00 0.00 ? 83 LYS A HB2 16 ATOM 24183 H HB3 . LYS A 1 83 ? 5.678 -17.036 -3.358 1.00 0.00 ? 83 LYS A HB3 16 ATOM 24184 H HG2 . LYS A 1 83 ? 4.588 -14.697 -1.828 1.00 0.00 ? 83 LYS A HG2 16 ATOM 24185 H HG3 . LYS A 1 83 ? 5.808 -14.515 -3.091 1.00 0.00 ? 83 LYS A HG3 16 ATOM 24186 H HD2 . LYS A 1 83 ? 3.370 -16.102 -3.711 1.00 0.00 ? 83 LYS A HD2 16 ATOM 24187 H HD3 . LYS A 1 83 ? 3.219 -14.346 -3.619 1.00 0.00 ? 83 LYS A HD3 16 ATOM 24188 H HE2 . LYS A 1 83 ? 3.694 -14.743 -5.866 1.00 0.00 ? 83 LYS A HE2 16 ATOM 24189 H HE3 . LYS A 1 83 ? 5.256 -14.294 -5.183 1.00 0.00 ? 83 LYS A HE3 16 ATOM 24190 H HZ1 . LYS A 1 83 ? 5.999 -16.478 -5.248 1.00 0.00 ? 83 LYS A HZ1 16 ATOM 24191 H HZ2 . LYS A 1 83 ? 5.149 -16.324 -6.701 1.00 0.00 ? 83 LYS A HZ2 16 ATOM 24192 H HZ3 . LYS A 1 83 ? 4.442 -17.124 -5.389 1.00 0.00 ? 83 LYS A HZ3 16 ATOM 24193 N N . ARG A 1 84 ? 6.116 -18.943 -0.565 1.00 0.00 ? 84 ARG A N 16 ATOM 24194 C CA . ARG A 1 84 ? 6.718 -20.253 -0.346 1.00 0.00 ? 84 ARG A CA 16 ATOM 24195 C C . ARG A 1 84 ? 6.037 -20.978 0.811 1.00 0.00 ? 84 ARG A C 16 ATOM 24196 O O . ARG A 1 84 ? 5.463 -22.051 0.631 1.00 0.00 ? 84 ARG A O 16 ATOM 24197 C CB . ARG A 1 84 ? 8.214 -20.109 -0.060 1.00 0.00 ? 84 ARG A CB 16 ATOM 24198 C CG . ARG A 1 84 ? 8.772 -21.202 0.837 1.00 0.00 ? 84 ARG A CG 16 ATOM 24199 C CD . ARG A 1 84 ? 10.265 -21.393 0.621 1.00 0.00 ? 84 ARG A CD 16 ATOM 24200 N NE . ARG A 1 84 ? 10.863 -22.237 1.652 1.00 0.00 ? 84 ARG A NE 16 ATOM 24201 C CZ . ARG A 1 84 ? 11.051 -21.843 2.906 1.00 0.00 ? 84 ARG A CZ 16 ATOM 24202 N NH1 . ARG A 1 84 ? 10.688 -20.625 3.284 1.00 0.00 ? 84 ARG A NH1 16 ATOM 24203 N NH2 . ARG A 1 84 ? 11.602 -22.669 3.787 1.00 0.00 ? 84 ARG A NH2 16 ATOM 24204 H H . ARG A 1 84 ? 6.461 -18.170 -0.071 1.00 0.00 ? 84 ARG A H 16 ATOM 24205 H HA . ARG A 1 84 ? 6.587 -20.834 -1.246 1.00 0.00 ? 84 ARG A HA 16 ATOM 24206 H HB2 . ARG A 1 84 ? 8.752 -20.134 -0.997 1.00 0.00 ? 84 ARG A HB2 16 ATOM 24207 H HB3 . ARG A 1 84 ? 8.387 -19.157 0.419 1.00 0.00 ? 84 ARG A HB3 16 ATOM 24208 H HG2 . ARG A 1 84 ? 8.600 -20.931 1.868 1.00 0.00 ? 84 ARG A HG2 16 ATOM 24209 H HG3 . ARG A 1 84 ? 8.263 -22.129 0.617 1.00 0.00 ? 84 ARG A HG3 16 ATOM 24210 H HD2 . ARG A 1 84 ? 10.420 -21.854 -0.343 1.00 0.00 ? 84 ARG A HD2 16 ATOM 24211 H HD3 . ARG A 1 84 ? 10.744 -20.425 0.638 1.00 0.00 ? 84 ARG A HD3 16 ATOM 24212 H HE . ARG A 1 84 ? 11.139 -23.141 1.394 1.00 0.00 ? 84 ARG A HE 16 ATOM 24213 H HH11 . ARG A 1 84 ? 10.272 -20.001 2.623 1.00 0.00 ? 84 ARG A HH11 16 ATOM 24214 H HH12 . ARG A 1 84 ? 10.829 -20.332 4.230 1.00 0.00 ? 84 ARG A HH12 16 ATOM 24215 H HH21 . ARG A 1 84 ? 11.877 -23.588 3.506 1.00 0.00 ? 84 ARG A HH21 16 ATOM 24216 H HH22 . ARG A 1 84 ? 11.743 -22.372 4.730 1.00 0.00 ? 84 ARG A HH22 16 ATOM 24217 N N . GLU A 1 85 ? 6.105 -20.383 1.998 1.00 0.00 ? 85 GLU A N 16 ATOM 24218 C CA . GLU A 1 85 ? 5.495 -20.973 3.184 1.00 0.00 ? 85 GLU A CA 16 ATOM 24219 C C . GLU A 1 85 ? 4.162 -21.631 2.840 1.00 0.00 ? 85 GLU A C 16 ATOM 24220 O O . GLU A 1 85 ? 3.805 -22.664 3.404 1.00 0.00 ? 85 GLU A O 16 ATOM 24221 C CB . GLU A 1 85 ? 5.288 -19.908 4.262 1.00 0.00 ? 85 GLU A CB 16 ATOM 24222 C CG . GLU A 1 85 ? 6.577 -19.248 4.722 1.00 0.00 ? 85 GLU A CG 16 ATOM 24223 C CD . GLU A 1 85 ? 7.244 -20.001 5.857 1.00 0.00 ? 85 GLU A CD 16 ATOM 24224 O OE1 . GLU A 1 85 ? 6.659 -20.052 6.959 1.00 0.00 ? 85 GLU A OE1 16 ATOM 24225 O OE2 . GLU A 1 85 ? 8.351 -20.537 5.644 1.00 0.00 ? 85 GLU A OE2 16 ATOM 24226 H H . GLU A 1 85 ? 6.577 -19.528 2.078 1.00 0.00 ? 85 GLU A H 16 ATOM 24227 H HA . GLU A 1 85 ? 6.168 -21.728 3.562 1.00 0.00 ? 85 GLU A HA 16 ATOM 24228 H HB2 . GLU A 1 85 ? 4.634 -19.141 3.873 1.00 0.00 ? 85 GLU A HB2 16 ATOM 24229 H HB3 . GLU A 1 85 ? 4.818 -20.367 5.119 1.00 0.00 ? 85 GLU A HB3 16 ATOM 24230 H HG2 . GLU A 1 85 ? 7.261 -19.204 3.889 1.00 0.00 ? 85 GLU A HG2 16 ATOM 24231 H HG3 . GLU A 1 85 ? 6.354 -18.246 5.057 1.00 0.00 ? 85 GLU A HG3 16 ATOM 24232 N N . GLU A 1 86 ? 3.431 -21.023 1.910 1.00 0.00 ? 86 GLU A N 16 ATOM 24233 C CA . GLU A 1 86 ? 2.137 -21.549 1.493 1.00 0.00 ? 86 GLU A CA 16 ATOM 24234 C C . GLU A 1 86 ? 2.308 -22.648 0.448 1.00 0.00 ? 86 GLU A C 16 ATOM 24235 O O . GLU A 1 86 ? 1.562 -23.628 0.434 1.00 0.00 ? 86 GLU A O 16 ATOM 24236 C CB . GLU A 1 86 ? 1.263 -20.426 0.930 1.00 0.00 ? 86 GLU A CB 16 ATOM 24237 C CG . GLU A 1 86 ? -0.011 -20.921 0.265 1.00 0.00 ? 86 GLU A CG 16 ATOM 24238 C CD . GLU A 1 86 ? -1.173 -21.020 1.233 1.00 0.00 ? 86 GLU A CD 16 ATOM 24239 O OE1 . GLU A 1 86 ? -1.346 -20.090 2.049 1.00 0.00 ? 86 GLU A OE1 16 ATOM 24240 O OE2 . GLU A 1 86 ? -1.910 -22.027 1.176 1.00 0.00 ? 86 GLU A OE2 16 ATOM 24241 H H . GLU A 1 86 ? 3.770 -20.202 1.497 1.00 0.00 ? 86 GLU A H 16 ATOM 24242 H HA . GLU A 1 86 ? 1.653 -21.968 2.362 1.00 0.00 ? 86 GLU A HA 16 ATOM 24243 H HB2 . GLU A 1 86 ? 0.990 -19.761 1.735 1.00 0.00 ? 86 GLU A HB2 16 ATOM 24244 H HB3 . GLU A 1 86 ? 1.835 -19.875 0.198 1.00 0.00 ? 86 GLU A HB3 16 ATOM 24245 H HG2 . GLU A 1 86 ? -0.278 -20.237 -0.526 1.00 0.00 ? 86 GLU A HG2 16 ATOM 24246 H HG3 . GLU A 1 86 ? 0.174 -21.899 -0.154 1.00 0.00 ? 86 GLU A HG3 16 ATOM 24247 N N . ARG A 1 87 ? 3.294 -22.477 -0.427 1.00 0.00 ? 87 ARG A N 16 ATOM 24248 C CA . ARG A 1 87 ? 3.562 -23.452 -1.476 1.00 0.00 ? 87 ARG A CA 16 ATOM 24249 C C . ARG A 1 87 ? 3.966 -24.797 -0.879 1.00 0.00 ? 87 ARG A C 16 ATOM 24250 O O . ARG A 1 87 ? 3.602 -25.853 -1.398 1.00 0.00 ? 87 ARG A O 16 ATOM 24251 C CB . ARG A 1 87 ? 4.666 -22.943 -2.405 1.00 0.00 ? 87 ARG A CB 16 ATOM 24252 C CG . ARG A 1 87 ? 4.150 -22.102 -3.561 1.00 0.00 ? 87 ARG A CG 16 ATOM 24253 C CD . ARG A 1 87 ? 3.669 -22.973 -4.712 1.00 0.00 ? 87 ARG A CD 16 ATOM 24254 N NE . ARG A 1 87 ? 3.118 -22.179 -5.806 1.00 0.00 ? 87 ARG A NE 16 ATOM 24255 C CZ . ARG A 1 87 ? 3.855 -21.413 -6.603 1.00 0.00 ? 87 ARG A CZ 16 ATOM 24256 N NH1 . ARG A 1 87 ? 5.167 -21.338 -6.428 1.00 0.00 ? 87 ARG A NH1 16 ATOM 24257 N NH2 . ARG A 1 87 ? 3.280 -20.719 -7.577 1.00 0.00 ? 87 ARG A NH2 16 ATOM 24258 H H . ARG A 1 87 ? 3.854 -21.675 -0.365 1.00 0.00 ? 87 ARG A H 16 ATOM 24259 H HA . ARG A 1 87 ? 2.655 -23.583 -2.048 1.00 0.00 ? 87 ARG A HA 16 ATOM 24260 H HB2 . ARG A 1 87 ? 5.355 -22.341 -1.831 1.00 0.00 ? 87 ARG A HB2 16 ATOM 24261 H HB3 . ARG A 1 87 ? 5.196 -23.791 -2.813 1.00 0.00 ? 87 ARG A HB3 16 ATOM 24262 H HG2 . ARG A 1 87 ? 3.325 -21.497 -3.214 1.00 0.00 ? 87 ARG A HG2 16 ATOM 24263 H HG3 . ARG A 1 87 ? 4.946 -21.463 -3.913 1.00 0.00 ? 87 ARG A HG3 16 ATOM 24264 H HD2 . ARG A 1 87 ? 4.504 -23.549 -5.083 1.00 0.00 ? 87 ARG A HD2 16 ATOM 24265 H HD3 . ARG A 1 87 ? 2.906 -23.642 -4.345 1.00 0.00 ? 87 ARG A HD3 16 ATOM 24266 H HE . ARG A 1 87 ? 2.150 -22.219 -5.953 1.00 0.00 ? 87 ARG A HE 16 ATOM 24267 H HH11 . ARG A 1 87 ? 5.603 -21.861 -5.695 1.00 0.00 ? 87 ARG A HH11 16 ATOM 24268 H HH12 . ARG A 1 87 ? 5.720 -20.762 -7.030 1.00 0.00 ? 87 ARG A HH12 16 ATOM 24269 H HH21 . ARG A 1 87 ? 2.291 -20.773 -7.712 1.00 0.00 ? 87 ARG A HH21 16 ATOM 24270 H HH22 . ARG A 1 87 ? 3.836 -20.143 -8.176 1.00 0.00 ? 87 ARG A HH22 16 ATOM 24271 N N . LEU A 1 88 ? 4.719 -24.751 0.214 1.00 0.00 ? 88 LEU A N 16 ATOM 24272 C CA . LEU A 1 88 ? 5.173 -25.965 0.883 1.00 0.00 ? 88 LEU A CA 16 ATOM 24273 C C . LEU A 1 88 ? 3.994 -26.739 1.465 1.00 0.00 ? 88 LEU A C 16 ATOM 24274 O O . LEU A 1 88 ? 3.767 -27.899 1.120 1.00 0.00 ? 88 LEU A O 16 ATOM 24275 C CB . LEU A 1 88 ? 6.168 -25.619 1.992 1.00 0.00 ? 88 LEU A CB 16 ATOM 24276 C CG . LEU A 1 88 ? 7.286 -24.648 1.611 1.00 0.00 ? 88 LEU A CG 16 ATOM 24277 C CD1 . LEU A 1 88 ? 8.077 -24.235 2.843 1.00 0.00 ? 88 LEU A CD1 16 ATOM 24278 C CD2 . LEU A 1 88 ? 8.204 -25.273 0.571 1.00 0.00 ? 88 LEU A CD2 16 ATOM 24279 H H . LEU A 1 88 ? 4.977 -23.880 0.581 1.00 0.00 ? 88 LEU A H 16 ATOM 24280 H HA . LEU A 1 88 ? 5.666 -26.583 0.148 1.00 0.00 ? 88 LEU A HA 16 ATOM 24281 H HB2 . LEU A 1 88 ? 5.614 -25.182 2.808 1.00 0.00 ? 88 LEU A HB2 16 ATOM 24282 H HB3 . LEU A 1 88 ? 6.626 -26.540 2.323 1.00 0.00 ? 88 LEU A HB3 16 ATOM 24283 H HG . LEU A 1 88 ? 6.850 -23.757 1.181 1.00 0.00 ? 88 LEU A HG 16 ATOM 24284 H HD11 . LEU A 1 88 ? 8.574 -25.098 3.257 1.00 0.00 ? 88 LEU A HD11 16 ATOM 24285 H HD12 . LEU A 1 88 ? 7.405 -23.819 3.579 1.00 0.00 ? 88 LEU A HD12 16 ATOM 24286 H HD13 . LEU A 1 88 ? 8.812 -23.493 2.566 1.00 0.00 ? 88 LEU A HD13 16 ATOM 24287 H HD21 . LEU A 1 88 ? 7.610 -25.798 -0.164 1.00 0.00 ? 88 LEU A HD21 16 ATOM 24288 H HD22 . LEU A 1 88 ? 8.875 -25.969 1.054 1.00 0.00 ? 88 LEU A HD22 16 ATOM 24289 H HD23 . LEU A 1 88 ? 8.777 -24.498 0.084 1.00 0.00 ? 88 LEU A HD23 16 ATOM 24290 N N . LYS A 1 89 ? 3.245 -26.089 2.349 1.00 0.00 ? 89 LYS A N 16 ATOM 24291 C CA . LYS A 1 89 ? 2.087 -26.713 2.978 1.00 0.00 ? 89 LYS A CA 16 ATOM 24292 C C . LYS A 1 89 ? 1.058 -27.130 1.931 1.00 0.00 ? 89 LYS A C 16 ATOM 24293 O O . LYS A 1 89 ? 0.394 -28.155 2.074 1.00 0.00 ? 89 LYS A O 16 ATOM 24294 C CB . LYS A 1 89 ? 1.447 -25.753 3.983 1.00 0.00 ? 89 LYS A CB 16 ATOM 24295 C CG . LYS A 1 89 ? 0.843 -24.516 3.343 1.00 0.00 ? 89 LYS A CG 16 ATOM 24296 C CD . LYS A 1 89 ? 0.050 -23.698 4.348 1.00 0.00 ? 89 LYS A CD 16 ATOM 24297 C CE . LYS A 1 89 ? -1.405 -24.139 4.403 1.00 0.00 ? 89 LYS A CE 16 ATOM 24298 N NZ . LYS A 1 89 ? -1.618 -25.224 5.401 1.00 0.00 ? 89 LYS A NZ 16 ATOM 24299 H H . LYS A 1 89 ? 3.477 -25.165 2.584 1.00 0.00 ? 89 LYS A H 16 ATOM 24300 H HA . LYS A 1 89 ? 2.428 -27.594 3.501 1.00 0.00 ? 89 LYS A HA 16 ATOM 24301 H HB2 . LYS A 1 89 ? 0.666 -26.276 4.515 1.00 0.00 ? 89 LYS A HB2 16 ATOM 24302 H HB3 . LYS A 1 89 ? 2.201 -25.435 4.689 1.00 0.00 ? 89 LYS A HB3 16 ATOM 24303 H HG2 . LYS A 1 89 ? 1.637 -23.903 2.943 1.00 0.00 ? 89 LYS A HG2 16 ATOM 24304 H HG3 . LYS A 1 89 ? 0.184 -24.821 2.542 1.00 0.00 ? 89 LYS A HG3 16 ATOM 24305 H HD2 . LYS A 1 89 ? 0.489 -23.822 5.327 1.00 0.00 ? 89 LYS A HD2 16 ATOM 24306 H HD3 . LYS A 1 89 ? 0.090 -22.656 4.064 1.00 0.00 ? 89 LYS A HD3 16 ATOM 24307 H HE2 . LYS A 1 89 ? -2.015 -23.291 4.672 1.00 0.00 ? 89 LYS A HE2 16 ATOM 24308 H HE3 . LYS A 1 89 ? -1.695 -24.497 3.427 1.00 0.00 ? 89 LYS A HE3 16 ATOM 24309 H HZ1 . LYS A 1 89 ? -0.702 -25.601 5.719 1.00 0.00 ? 89 LYS A HZ1 16 ATOM 24310 H HZ2 . LYS A 1 89 ? -2.169 -25.997 4.976 1.00 0.00 ? 89 LYS A HZ2 16 ATOM 24311 H HZ3 . LYS A 1 89 ? -2.134 -24.856 6.225 1.00 0.00 ? 89 LYS A HZ3 16 ATOM 24312 N N . ALA A 1 90 ? 0.934 -26.328 0.879 1.00 0.00 ? 90 ALA A N 16 ATOM 24313 C CA . ALA A 1 90 ? -0.011 -26.615 -0.193 1.00 0.00 ? 90 ALA A CA 16 ATOM 24314 C C . ALA A 1 90 ? 0.183 -28.029 -0.731 1.00 0.00 ? 90 ALA A C 16 ATOM 24315 O O . ALA A 1 90 ? 1.178 -28.688 -0.428 1.00 0.00 ? 90 ALA A O 16 ATOM 24316 C CB . ALA A 1 90 ? 0.137 -25.597 -1.314 1.00 0.00 ? 90 ALA A CB 16 ATOM 24317 H H . ALA A 1 90 ? 1.492 -25.524 0.821 1.00 0.00 ? 90 ALA A H 16 ATOM 24318 H HA . ALA A 1 90 ? -1.010 -26.528 0.210 1.00 0.00 ? 90 ALA A HA 16 ATOM 24319 H HB1 . ALA A 1 90 ? 1.153 -25.612 -1.681 1.00 0.00 ? 90 ALA A HB1 16 ATOM 24320 H HB2 . ALA A 1 90 ? -0.540 -25.846 -2.118 1.00 0.00 ? 90 ALA A HB2 16 ATOM 24321 H HB3 . ALA A 1 90 ? -0.096 -24.612 -0.939 1.00 0.00 ? 90 ALA A HB3 16 ATOM 24322 N N . HIS A 1 91 ? -0.775 -28.490 -1.530 1.00 0.00 ? 91 HIS A N 16 ATOM 24323 C CA . HIS A 1 91 ? -0.709 -29.827 -2.110 1.00 0.00 ? 91 HIS A CA 16 ATOM 24324 C C . HIS A 1 91 ? -0.676 -29.756 -3.634 1.00 0.00 ? 91 HIS A C 16 ATOM 24325 O O . HIS A 1 91 ? -1.715 -29.622 -4.281 1.00 0.00 ? 91 HIS A O 16 ATOM 24326 C CB . HIS A 1 91 ? -1.903 -30.664 -1.652 1.00 0.00 ? 91 HIS A CB 16 ATOM 24327 C CG . HIS A 1 91 ? -2.006 -31.989 -2.342 1.00 0.00 ? 91 HIS A CG 16 ATOM 24328 N ND1 . HIS A 1 91 ? -3.211 -32.586 -2.648 1.00 0.00 ? 91 HIS A ND1 16 ATOM 24329 C CD2 . HIS A 1 91 ? -1.046 -32.831 -2.789 1.00 0.00 ? 91 HIS A CD2 16 ATOM 24330 C CE1 . HIS A 1 91 ? -2.987 -33.740 -3.251 1.00 0.00 ? 91 HIS A CE1 16 ATOM 24331 N NE2 . HIS A 1 91 ? -1.681 -33.912 -3.350 1.00 0.00 ? 91 HIS A NE2 16 ATOM 24332 H H . HIS A 1 91 ? -1.543 -27.917 -1.734 1.00 0.00 ? 91 HIS A H 16 ATOM 24333 H HA . HIS A 1 91 ? 0.201 -30.294 -1.764 1.00 0.00 ? 91 HIS A HA 16 ATOM 24334 H HB2 . HIS A 1 91 ? -1.818 -30.849 -0.591 1.00 0.00 ? 91 HIS A HB2 16 ATOM 24335 H HB3 . HIS A 1 91 ? -2.814 -30.116 -1.845 1.00 0.00 ? 91 HIS A HB3 16 ATOM 24336 H HD1 . HIS A 1 91 ? -4.098 -32.220 -2.450 1.00 0.00 ? 91 HIS A HD1 16 ATOM 24337 H HD2 . HIS A 1 91 ? 0.022 -32.682 -2.719 1.00 0.00 ? 91 HIS A HD2 16 ATOM 24338 H HE1 . HIS A 1 91 ? -3.742 -34.426 -3.604 1.00 0.00 ? 91 HIS A HE1 16 ATOM 24339 H HE2 . HIS A 1 91 ? -1.242 -34.724 -3.679 1.00 0.00 ? 91 HIS A HE2 16 ATOM 24340 N N . SER A 1 92 ? 0.522 -29.848 -4.200 1.00 0.00 ? 92 SER A N 16 ATOM 24341 C CA . SER A 1 92 ? 0.690 -29.790 -5.648 1.00 0.00 ? 92 SER A CA 16 ATOM 24342 C C . SER A 1 92 ? 0.959 -31.179 -6.219 1.00 0.00 ? 92 SER A C 16 ATOM 24343 O O . SER A 1 92 ? 1.389 -32.084 -5.505 1.00 0.00 ? 92 SER A O 16 ATOM 24344 C CB . SER A 1 92 ? 1.838 -28.846 -6.012 1.00 0.00 ? 92 SER A CB 16 ATOM 24345 O OG . SER A 1 92 ? 1.473 -27.493 -5.797 1.00 0.00 ? 92 SER A OG 16 ATOM 24346 H H . SER A 1 92 ? 1.313 -29.954 -3.631 1.00 0.00 ? 92 SER A H 16 ATOM 24347 H HA . SER A 1 92 ? -0.226 -29.410 -6.073 1.00 0.00 ? 92 SER A HA 16 ATOM 24348 H HB2 . SER A 1 92 ? 2.697 -29.076 -5.401 1.00 0.00 ? 92 SER A HB2 16 ATOM 24349 H HB3 . SER A 1 92 ? 2.091 -28.977 -7.054 1.00 0.00 ? 92 SER A HB3 16 ATOM 24350 H HG . SER A 1 92 ? 1.961 -26.930 -6.402 1.00 0.00 ? 92 SER A HG 16 ATOM 24351 N N . GLY A 1 93 ? 0.701 -31.339 -7.514 1.00 0.00 ? 93 GLY A N 16 ATOM 24352 C CA . GLY A 1 93 ? 0.920 -32.620 -8.161 1.00 0.00 ? 93 GLY A CA 16 ATOM 24353 C C . GLY A 1 93 ? 2.379 -32.857 -8.499 1.00 0.00 ? 93 GLY A C 16 ATOM 24354 O O . GLY A 1 93 ? 3.174 -31.922 -8.604 1.00 0.00 ? 93 GLY A O 16 ATOM 24355 H H . GLY A 1 93 ? 0.360 -30.582 -8.034 1.00 0.00 ? 93 GLY A H 16 ATOM 24356 H HA2 . GLY A 1 93 ? 0.582 -33.406 -7.502 1.00 0.00 ? 93 GLY A HA2 16 ATOM 24357 H HA3 . GLY A 1 93 ? 0.342 -32.653 -9.072 1.00 0.00 ? 93 GLY A HA3 16 ATOM 24358 N N . PRO A 1 94 ? 2.750 -34.134 -8.673 1.00 0.00 ? 94 PRO A N 16 ATOM 24359 C CA . PRO A 1 94 ? 4.125 -34.520 -9.003 1.00 0.00 ? 94 PRO A CA 16 ATOM 24360 C C . PRO A 1 94 ? 4.520 -34.110 -10.417 1.00 0.00 ? 94 PRO A C 16 ATOM 24361 O O . PRO A 1 94 ? 5.635 -33.644 -10.650 1.00 0.00 ? 94 PRO A O 16 ATOM 24362 C CB . PRO A 1 94 ? 4.105 -36.045 -8.875 1.00 0.00 ? 94 PRO A CB 16 ATOM 24363 C CG . PRO A 1 94 ? 2.685 -36.427 -9.111 1.00 0.00 ? 94 PRO A CG 16 ATOM 24364 C CD . PRO A 1 94 ? 1.856 -35.298 -8.563 1.00 0.00 ? 94 PRO A CD 16 ATOM 24365 H HA . PRO A 1 94 ? 4.833 -34.107 -8.299 1.00 0.00 ? 94 PRO A HA 16 ATOM 24366 H HB2 . PRO A 1 94 ? 4.761 -36.480 -9.616 1.00 0.00 ? 94 PRO A HB2 16 ATOM 24367 H HB3 . PRO A 1 94 ? 4.431 -36.331 -7.886 1.00 0.00 ? 94 PRO A HB3 16 ATOM 24368 H HG2 . PRO A 1 94 ? 2.507 -36.543 -10.170 1.00 0.00 ? 94 PRO A HG2 16 ATOM 24369 H HG3 . PRO A 1 94 ? 2.460 -37.345 -8.589 1.00 0.00 ? 94 PRO A HG3 16 ATOM 24370 H HD2 . PRO A 1 94 ? 0.966 -35.159 -9.159 1.00 0.00 ? 94 PRO A HD2 16 ATOM 24371 H HD3 . PRO A 1 94 ? 1.596 -35.488 -7.532 1.00 0.00 ? 94 PRO A HD3 16 ATOM 24372 N N . SER A 1 95 ? 3.598 -34.285 -11.358 1.00 0.00 ? 95 SER A N 16 ATOM 24373 C CA . SER A 1 95 ? 3.851 -33.936 -12.751 1.00 0.00 ? 95 SER A CA 16 ATOM 24374 C C . SER A 1 95 ? 2.720 -33.079 -13.311 1.00 0.00 ? 95 SER A C 16 ATOM 24375 O O . SER A 1 95 ? 1.544 -33.338 -13.053 1.00 0.00 ? 95 SER A O 16 ATOM 24376 C CB . SER A 1 95 ? 4.013 -35.202 -13.595 1.00 0.00 ? 95 SER A CB 16 ATOM 24377 O OG . SER A 1 95 ? 2.841 -35.997 -13.552 1.00 0.00 ? 95 SER A OG 16 ATOM 24378 H H . SER A 1 95 ? 2.727 -34.661 -11.110 1.00 0.00 ? 95 SER A H 16 ATOM 24379 H HA . SER A 1 95 ? 4.769 -33.368 -12.789 1.00 0.00 ? 95 SER A HA 16 ATOM 24380 H HB2 . SER A 1 95 ? 4.208 -34.925 -14.620 1.00 0.00 ? 95 SER A HB2 16 ATOM 24381 H HB3 . SER A 1 95 ? 4.842 -35.781 -13.215 1.00 0.00 ? 95 SER A HB3 16 ATOM 24382 H HG . SER A 1 95 ? 2.301 -35.815 -14.325 1.00 0.00 ? 95 SER A HG 16 ATOM 24383 N N . SER A 1 96 ? 3.084 -32.057 -14.078 1.00 0.00 ? 96 SER A N 16 ATOM 24384 C CA . SER A 1 96 ? 2.100 -31.158 -14.672 1.00 0.00 ? 96 SER A CA 16 ATOM 24385 C C . SER A 1 96 ? 1.442 -31.802 -15.888 1.00 0.00 ? 96 SER A C 16 ATOM 24386 O O . SER A 1 96 ? 2.080 -32.004 -16.920 1.00 0.00 ? 96 SER A O 16 ATOM 24387 C CB . SER A 1 96 ? 2.762 -29.839 -15.074 1.00 0.00 ? 96 SER A CB 16 ATOM 24388 O OG . SER A 1 96 ? 3.289 -29.167 -13.943 1.00 0.00 ? 96 SER A OG 16 ATOM 24389 H H . SER A 1 96 ? 4.037 -31.902 -14.247 1.00 0.00 ? 96 SER A H 16 ATOM 24390 H HA . SER A 1 96 ? 1.342 -30.960 -13.929 1.00 0.00 ? 96 SER A HA 16 ATOM 24391 H HB2 . SER A 1 96 ? 3.566 -30.038 -15.766 1.00 0.00 ? 96 SER A HB2 16 ATOM 24392 H HB3 . SER A 1 96 ? 2.028 -29.202 -15.548 1.00 0.00 ? 96 SER A HB3 16 ATOM 24393 H HG . SER A 1 96 ? 3.750 -28.374 -14.228 1.00 0.00 ? 96 SER A HG 16 ATOM 24394 N N . GLY A 1 97 ? 0.157 -32.121 -15.759 1.00 0.00 ? 97 GLY A N 16 ATOM 24395 C CA . GLY A 1 97 ? -0.568 -32.738 -16.854 1.00 0.00 ? 97 GLY A CA 16 ATOM 24396 C C . GLY A 1 97 ? -2.034 -32.350 -16.870 1.00 0.00 ? 97 GLY A C 16 ATOM 24397 O O . GLY A 1 97 ? -2.537 -31.762 -15.913 1.00 0.00 ? 97 GLY A O 16 ATOM 24398 H H . GLY A 1 97 ? -0.301 -31.935 -14.912 1.00 0.00 ? 97 GLY A H 16 ATOM 24399 H HA2 . GLY A 1 97 ? -0.116 -32.435 -17.786 1.00 0.00 ? 97 GLY A HA2 16 ATOM 24400 H HA3 . GLY A 1 97 ? -0.493 -33.811 -16.760 1.00 0.00 ? 97 GLY A HA3 16 ATOM 24401 N N . GLY A 1 1 ? 7.472 15.376 14.126 1.00 0.00 ? 1 GLY A N 17 ATOM 24402 C CA . GLY A 1 1 ? 7.506 16.805 14.378 1.00 0.00 ? 1 GLY A CA 17 ATOM 24403 C C . GLY A 1 1 ? 6.142 17.365 14.729 1.00 0.00 ? 1 GLY A C 17 ATOM 24404 O O . GLY A 1 1 ? 5.225 16.617 15.068 1.00 0.00 ? 1 GLY A O 17 ATOM 24405 H H1 . GLY A 1 1 ? 8.088 14.782 14.603 1.00 0.00 ? 1 GLY A H1 17 ATOM 24406 H HA2 . GLY A 1 1 ? 8.185 16.999 15.195 1.00 0.00 ? 1 GLY A HA2 17 ATOM 24407 H HA3 . GLY A 1 1 ? 7.871 17.306 13.493 1.00 0.00 ? 1 GLY A HA3 17 ATOM 24408 N N . SER A 1 2 ? 6.007 18.685 14.650 1.00 0.00 ? 2 SER A N 17 ATOM 24409 C CA . SER A 1 2 ? 4.746 19.345 14.967 1.00 0.00 ? 2 SER A CA 17 ATOM 24410 C C . SER A 1 2 ? 3.599 18.741 14.163 1.00 0.00 ? 2 SER A C 17 ATOM 24411 O O . SER A 1 2 ? 3.737 18.473 12.970 1.00 0.00 ? 2 SER A O 17 ATOM 24412 C CB . SER A 1 2 ? 4.847 20.846 14.686 1.00 0.00 ? 2 SER A CB 17 ATOM 24413 O OG . SER A 1 2 ? 4.767 21.110 13.296 1.00 0.00 ? 2 SER A OG 17 ATOM 24414 H H . SER A 1 2 ? 6.775 19.228 14.373 1.00 0.00 ? 2 SER A H 17 ATOM 24415 H HA . SER A 1 2 ? 4.550 19.197 16.019 1.00 0.00 ? 2 SER A HA 17 ATOM 24416 H HB2 . SER A 1 2 ? 4.038 21.358 15.184 1.00 0.00 ? 2 SER A HB2 17 ATOM 24417 H HB3 . SER A 1 2 ? 5.791 21.216 15.057 1.00 0.00 ? 2 SER A HB3 17 ATOM 24418 H HG . SER A 1 2 ? 5.613 21.436 12.982 1.00 0.00 ? 2 SER A HG 17 ATOM 24419 N N . SER A 1 3 ? 2.467 18.530 14.827 1.00 0.00 ? 3 SER A N 17 ATOM 24420 C CA . SER A 1 3 ? 1.296 17.954 14.176 1.00 0.00 ? 3 SER A CA 17 ATOM 24421 C C . SER A 1 3 ? 0.605 18.985 13.290 1.00 0.00 ? 3 SER A C 17 ATOM 24422 O O . SER A 1 3 ? 0.197 20.048 13.756 1.00 0.00 ? 3 SER A O 17 ATOM 24423 C CB . SER A 1 3 ? 0.314 17.424 15.223 1.00 0.00 ? 3 SER A CB 17 ATOM 24424 O OG . SER A 1 3 ? -0.334 18.488 15.899 1.00 0.00 ? 3 SER A OG 17 ATOM 24425 H H . SER A 1 3 ? 2.419 18.765 15.777 1.00 0.00 ? 3 SER A H 17 ATOM 24426 H HA . SER A 1 3 ? 1.630 17.132 13.560 1.00 0.00 ? 3 SER A HA 17 ATOM 24427 H HB2 . SER A 1 3 ? -0.433 16.815 14.737 1.00 0.00 ? 3 SER A HB2 17 ATOM 24428 H HB3 . SER A 1 3 ? 0.850 16.827 15.947 1.00 0.00 ? 3 SER A HB3 17 ATOM 24429 H HG . SER A 1 3 ? -0.871 18.984 15.276 1.00 0.00 ? 3 SER A HG 17 ATOM 24430 N N . GLY A 1 4 ? 0.476 18.662 12.006 1.00 0.00 ? 4 GLY A N 17 ATOM 24431 C CA . GLY A 1 4 ? -0.165 19.570 11.073 1.00 0.00 ? 4 GLY A CA 17 ATOM 24432 C C . GLY A 1 4 ? -1.661 19.343 10.980 1.00 0.00 ? 4 GLY A C 17 ATOM 24433 O O . GLY A 1 4 ? -2.110 18.246 10.649 1.00 0.00 ? 4 GLY A O 17 ATOM 24434 H H . GLY A 1 4 ? 0.821 17.800 11.690 1.00 0.00 ? 4 GLY A H 17 ATOM 24435 H HA2 . GLY A 1 4 ? 0.015 20.585 11.394 1.00 0.00 ? 4 GLY A HA2 17 ATOM 24436 H HA3 . GLY A 1 4 ? 0.270 19.429 10.095 1.00 0.00 ? 4 GLY A HA3 17 ATOM 24437 N N . SER A 1 5 ? -2.435 20.383 11.274 1.00 0.00 ? 5 SER A N 17 ATOM 24438 C CA . SER A 1 5 ? -3.890 20.291 11.228 1.00 0.00 ? 5 SER A CA 17 ATOM 24439 C C . SER A 1 5 ? -4.404 20.537 9.813 1.00 0.00 ? 5 SER A C 17 ATOM 24440 O O . SER A 1 5 ? -5.229 19.781 9.300 1.00 0.00 ? 5 SER A O 17 ATOM 24441 C CB . SER A 1 5 ? -4.517 21.298 12.193 1.00 0.00 ? 5 SER A CB 17 ATOM 24442 O OG . SER A 1 5 ? -5.919 21.112 12.284 1.00 0.00 ? 5 SER A OG 17 ATOM 24443 H H . SER A 1 5 ? -2.018 21.232 11.531 1.00 0.00 ? 5 SER A H 17 ATOM 24444 H HA . SER A 1 5 ? -4.169 19.293 11.531 1.00 0.00 ? 5 SER A HA 17 ATOM 24445 H HB2 . SER A 1 5 ? -4.085 21.171 13.174 1.00 0.00 ? 5 SER A HB2 17 ATOM 24446 H HB3 . SER A 1 5 ? -4.321 22.301 11.841 1.00 0.00 ? 5 SER A HB3 17 ATOM 24447 H HG . SER A 1 5 ? -6.154 20.889 13.188 1.00 0.00 ? 5 SER A HG 17 ATOM 24448 N N . SER A 1 6 ? -3.911 21.601 9.187 1.00 0.00 ? 6 SER A N 17 ATOM 24449 C CA . SER A 1 6 ? -4.323 21.950 7.832 1.00 0.00 ? 6 SER A CA 17 ATOM 24450 C C . SER A 1 6 ? -3.145 21.859 6.866 1.00 0.00 ? 6 SER A C 17 ATOM 24451 O O . SER A 1 6 ? -1.987 21.846 7.280 1.00 0.00 ? 6 SER A O 17 ATOM 24452 C CB . SER A 1 6 ? -4.912 23.362 7.804 1.00 0.00 ? 6 SER A CB 17 ATOM 24453 O OG . SER A 1 6 ? -4.001 24.306 8.339 1.00 0.00 ? 6 SER A OG 17 ATOM 24454 H H . SER A 1 6 ? -3.255 22.165 9.648 1.00 0.00 ? 6 SER A H 17 ATOM 24455 H HA . SER A 1 6 ? -5.081 21.246 7.524 1.00 0.00 ? 6 SER A HA 17 ATOM 24456 H HB2 . SER A 1 6 ? -5.137 23.635 6.785 1.00 0.00 ? 6 SER A HB2 17 ATOM 24457 H HB3 . SER A 1 6 ? -5.819 23.382 8.391 1.00 0.00 ? 6 SER A HB3 17 ATOM 24458 H HG . SER A 1 6 ? -3.159 24.232 7.884 1.00 0.00 ? 6 SER A HG 17 ATOM 24459 N N . GLY A 1 7 ? -3.452 21.796 5.574 1.00 0.00 ? 7 GLY A N 17 ATOM 24460 C CA . GLY A 1 7 ? -2.410 21.707 4.567 1.00 0.00 ? 7 GLY A CA 17 ATOM 24461 C C . GLY A 1 7 ? -2.966 21.486 3.175 1.00 0.00 ? 7 GLY A C 17 ATOM 24462 O O . GLY A 1 7 ? -4.022 22.016 2.830 1.00 0.00 ? 7 GLY A O 17 ATOM 24463 H H . GLY A 1 7 ? -4.394 21.810 5.301 1.00 0.00 ? 7 GLY A H 17 ATOM 24464 H HA2 . GLY A 1 7 ? -1.839 22.623 4.574 1.00 0.00 ? 7 GLY A HA2 17 ATOM 24465 H HA3 . GLY A 1 7 ? -1.756 20.884 4.816 1.00 0.00 ? 7 GLY A HA3 17 ATOM 24466 N N . MET A 1 8 ? -2.254 20.701 2.373 1.00 0.00 ? 8 MET A N 17 ATOM 24467 C CA . MET A 1 8 ? -2.683 20.412 1.009 1.00 0.00 ? 8 MET A CA 17 ATOM 24468 C C . MET A 1 8 ? -3.917 19.515 1.006 1.00 0.00 ? 8 MET A C 17 ATOM 24469 O O . MET A 1 8 ? -3.818 18.310 0.783 1.00 0.00 ? 8 MET A O 17 ATOM 24470 C CB . MET A 1 8 ? -1.551 19.744 0.226 1.00 0.00 ? 8 MET A CB 17 ATOM 24471 C CG . MET A 1 8 ? -0.647 20.730 -0.495 1.00 0.00 ? 8 MET A CG 17 ATOM 24472 S SD . MET A 1 8 ? 0.989 20.052 -0.833 1.00 0.00 ? 8 MET A SD 17 ATOM 24473 C CE . MET A 1 8 ? 0.828 19.628 -2.566 1.00 0.00 ? 8 MET A CE 17 ATOM 24474 H H . MET A 1 8 ? -1.421 20.307 2.705 1.00 0.00 ? 8 MET A H 17 ATOM 24475 H HA . MET A 1 8 ? -2.933 21.349 0.535 1.00 0.00 ? 8 MET A HA 17 ATOM 24476 H HB2 . MET A 1 8 ? -0.947 19.168 0.911 1.00 0.00 ? 8 MET A HB2 17 ATOM 24477 H HB3 . MET A 1 8 ? -1.981 19.080 -0.509 1.00 0.00 ? 8 MET A HB3 17 ATOM 24478 H HG2 . MET A 1 8 ? -1.108 21.003 -1.432 1.00 0.00 ? 8 MET A HG2 17 ATOM 24479 H HG3 . MET A 1 8 ? -0.536 21.611 0.120 1.00 0.00 ? 8 MET A HG3 17 ATOM 24480 H HE1 . MET A 1 8 ? 0.095 20.273 -3.028 1.00 0.00 ? 8 MET A HE1 17 ATOM 24481 H HE2 . MET A 1 8 ? 1.781 19.757 -3.058 1.00 0.00 ? 8 MET A HE2 17 ATOM 24482 H HE3 . MET A 1 8 ? 0.512 18.599 -2.657 1.00 0.00 ? 8 MET A HE3 17 ATOM 24483 N N . GLU A 1 9 ? -5.078 20.113 1.256 1.00 0.00 ? 9 GLU A N 17 ATOM 24484 C CA . GLU A 1 9 ? -6.331 19.366 1.283 1.00 0.00 ? 9 GLU A CA 17 ATOM 24485 C C . GLU A 1 9 ? -6.755 18.965 -0.126 1.00 0.00 ? 9 GLU A C 17 ATOM 24486 O O . GLU A 1 9 ? -7.718 19.503 -0.673 1.00 0.00 ? 9 GLU A O 17 ATOM 24487 C CB . GLU A 1 9 ? -7.432 20.199 1.942 1.00 0.00 ? 9 GLU A CB 17 ATOM 24488 C CG . GLU A 1 9 ? -7.115 20.607 3.371 1.00 0.00 ? 9 GLU A CG 17 ATOM 24489 C CD . GLU A 1 9 ? -7.952 21.779 3.843 1.00 0.00 ? 9 GLU A CD 17 ATOM 24490 O OE1 . GLU A 1 9 ? -8.136 22.732 3.056 1.00 0.00 ? 9 GLU A OE1 17 ATOM 24491 O OE2 . GLU A 1 9 ? -8.424 21.745 4.999 1.00 0.00 ? 9 GLU A OE2 17 ATOM 24492 H H . GLU A 1 9 ? -5.093 21.078 1.427 1.00 0.00 ? 9 GLU A H 17 ATOM 24493 H HA . GLU A 1 9 ? -6.171 18.472 1.866 1.00 0.00 ? 9 GLU A HA 17 ATOM 24494 H HB2 . GLU A 1 9 ? -7.587 21.095 1.360 1.00 0.00 ? 9 GLU A HB2 17 ATOM 24495 H HB3 . GLU A 1 9 ? -8.346 19.623 1.950 1.00 0.00 ? 9 GLU A HB3 17 ATOM 24496 H HG2 . GLU A 1 9 ? -7.301 19.766 4.022 1.00 0.00 ? 9 GLU A HG2 17 ATOM 24497 H HG3 . GLU A 1 9 ? -6.072 20.882 3.430 1.00 0.00 ? 9 GLU A HG3 17 ATOM 24498 N N . GLY A 1 10 ? -6.029 18.017 -0.710 1.00 0.00 ? 10 GLY A N 17 ATOM 24499 C CA . GLY A 1 10 ? -6.345 17.560 -2.051 1.00 0.00 ? 10 GLY A CA 17 ATOM 24500 C C . GLY A 1 10 ? -5.549 16.333 -2.448 1.00 0.00 ? 10 GLY A C 17 ATOM 24501 O O . GLY A 1 10 ? -6.096 15.247 -2.640 1.00 0.00 ? 10 GLY A O 17 ATOM 24502 H H . GLY A 1 10 ? -5.272 17.624 -0.226 1.00 0.00 ? 10 GLY A H 17 ATOM 24503 H HA2 . GLY A 1 10 ? -7.397 17.326 -2.101 1.00 0.00 ? 10 GLY A HA2 17 ATOM 24504 H HA3 . GLY A 1 10 ? -6.130 18.355 -2.750 1.00 0.00 ? 10 GLY A HA3 17 ATOM 24505 N N . PRO A 1 11 ? -4.224 16.498 -2.578 1.00 0.00 ? 11 PRO A N 17 ATOM 24506 C CA . PRO A 1 11 ? -3.323 15.406 -2.957 1.00 0.00 ? 11 PRO A CA 17 ATOM 24507 C C . PRO A 1 11 ? -3.184 14.361 -1.855 1.00 0.00 ? 11 PRO A C 17 ATOM 24508 O O . PRO A 1 11 ? -2.872 13.199 -2.122 1.00 0.00 ? 11 PRO A O 17 ATOM 24509 C CB . PRO A 1 11 ? -1.987 16.114 -3.194 1.00 0.00 ? 11 PRO A CB 17 ATOM 24510 C CG . PRO A 1 11 ? -2.059 17.347 -2.362 1.00 0.00 ? 11 PRO A CG 17 ATOM 24511 C CD . PRO A 1 11 ? -3.504 17.764 -2.364 1.00 0.00 ? 11 PRO A CD 17 ATOM 24512 H HA . PRO A 1 11 ? -3.645 14.925 -3.869 1.00 0.00 ? 11 PRO A HA 17 ATOM 24513 H HB2 . PRO A 1 11 ? -1.176 15.472 -2.881 1.00 0.00 ? 11 PRO A HB2 17 ATOM 24514 H HB3 . PRO A 1 11 ? -1.883 16.350 -4.242 1.00 0.00 ? 11 PRO A HB3 17 ATOM 24515 H HG2 . PRO A 1 11 ? -1.732 17.131 -1.356 1.00 0.00 ? 11 PRO A HG2 17 ATOM 24516 H HG3 . PRO A 1 11 ? -1.445 18.121 -2.800 1.00 0.00 ? 11 PRO A HG3 17 ATOM 24517 H HD2 . PRO A 1 11 ? -3.770 18.204 -1.414 1.00 0.00 ? 11 PRO A HD2 17 ATOM 24518 H HD3 . PRO A 1 11 ? -3.695 18.457 -3.170 1.00 0.00 ? 11 PRO A HD3 17 ATOM 24519 N N . LEU A 1 12 ? -3.416 14.780 -0.616 1.00 0.00 ? 12 LEU A N 17 ATOM 24520 C CA . LEU A 1 12 ? -3.316 13.879 0.528 1.00 0.00 ? 12 LEU A CA 17 ATOM 24521 C C . LEU A 1 12 ? -4.481 12.894 0.547 1.00 0.00 ? 12 LEU A C 17 ATOM 24522 O O . LEU A 1 12 ? -4.284 11.690 0.706 1.00 0.00 ? 12 LEU A O 17 ATOM 24523 C CB . LEU A 1 12 ? -3.289 14.679 1.831 1.00 0.00 ? 12 LEU A CB 17 ATOM 24524 C CG . LEU A 1 12 ? -1.997 15.445 2.121 1.00 0.00 ? 12 LEU A CG 17 ATOM 24525 C CD1 . LEU A 1 12 ? -2.269 16.617 3.052 1.00 0.00 ? 12 LEU A CD1 17 ATOM 24526 C CD2 . LEU A 1 12 ? -0.950 14.518 2.720 1.00 0.00 ? 12 LEU A CD2 17 ATOM 24527 H H . LEU A 1 12 ? -3.660 15.716 -0.465 1.00 0.00 ? 12 LEU A H 17 ATOM 24528 H HA . LEU A 1 12 ? -2.394 13.326 0.434 1.00 0.00 ? 12 LEU A HA 17 ATOM 24529 H HB2 . LEU A 1 12 ? -4.096 15.394 1.797 1.00 0.00 ? 12 LEU A HB2 17 ATOM 24530 H HB3 . LEU A 1 12 ? -3.455 13.989 2.646 1.00 0.00 ? 12 LEU A HB3 17 ATOM 24531 H HG . LEU A 1 12 ? -1.605 15.840 1.194 1.00 0.00 ? 12 LEU A HG 17 ATOM 24532 H HD11 . LEU A 1 12 ? -2.683 17.438 2.486 1.00 0.00 ? 12 LEU A HD11 17 ATOM 24533 H HD12 . LEU A 1 12 ? -1.346 16.929 3.517 1.00 0.00 ? 12 LEU A HD12 17 ATOM 24534 H HD13 . LEU A 1 12 ? -2.972 16.315 3.815 1.00 0.00 ? 12 LEU A HD13 17 ATOM 24535 H HD21 . LEU A 1 12 ? -1.231 13.491 2.536 1.00 0.00 ? 12 LEU A HD21 17 ATOM 24536 H HD22 . LEU A 1 12 ? -0.887 14.687 3.785 1.00 0.00 ? 12 LEU A HD22 17 ATOM 24537 H HD23 . LEU A 1 12 ? 0.009 14.716 2.265 1.00 0.00 ? 12 LEU A HD23 17 ATOM 24538 N N . ASN A 1 13 ? -5.693 13.414 0.383 1.00 0.00 ? 13 ASN A N 17 ATOM 24539 C CA . ASN A 1 13 ? -6.889 12.579 0.381 1.00 0.00 ? 13 ASN A CA 17 ATOM 24540 C C . ASN A 1 13 ? -6.736 11.414 -0.592 1.00 0.00 ? 13 ASN A C 17 ATOM 24541 O O . ASN A 1 13 ? -6.982 10.259 -0.238 1.00 0.00 ? 13 ASN A O 17 ATOM 24542 C CB . ASN A 1 13 ? -8.116 13.413 0.007 1.00 0.00 ? 13 ASN A CB 17 ATOM 24543 C CG . ASN A 1 13 ? -8.762 14.064 1.215 1.00 0.00 ? 13 ASN A CG 17 ATOM 24544 O OD1 . ASN A 1 13 ? -9.208 13.382 2.138 1.00 0.00 ? 13 ASN A OD1 17 ATOM 24545 N ND2 . ASN A 1 13 ? -8.814 15.391 1.213 1.00 0.00 ? 13 ASN A ND2 17 ATOM 24546 H H . ASN A 1 13 ? -5.785 14.382 0.262 1.00 0.00 ? 13 ASN A H 17 ATOM 24547 H HA . ASN A 1 13 ? -7.021 12.187 1.377 1.00 0.00 ? 13 ASN A HA 17 ATOM 24548 H HB2 . ASN A 1 13 ? -7.820 14.190 -0.682 1.00 0.00 ? 13 ASN A HB2 17 ATOM 24549 H HB3 . ASN A 1 13 ? -8.846 12.775 -0.468 1.00 0.00 ? 13 ASN A HB3 17 ATOM 24550 H HD21 . ASN A 1 13 ? -8.439 15.869 0.444 1.00 0.00 ? 13 ASN A HD21 17 ATOM 24551 H HD22 . ASN A 1 13 ? -9.226 15.838 1.982 1.00 0.00 ? 13 ASN A HD22 17 ATOM 24552 N N . LEU A 1 14 ? -6.330 11.723 -1.818 1.00 0.00 ? 14 LEU A N 17 ATOM 24553 C CA . LEU A 1 14 ? -6.143 10.701 -2.843 1.00 0.00 ? 14 LEU A CA 17 ATOM 24554 C C . LEU A 1 14 ? -5.206 9.602 -2.352 1.00 0.00 ? 14 LEU A C 17 ATOM 24555 O O . LEU A 1 14 ? -5.290 8.458 -2.796 1.00 0.00 ? 14 LEU A O 17 ATOM 24556 C CB . LEU A 1 14 ? -5.586 11.329 -4.121 1.00 0.00 ? 14 LEU A CB 17 ATOM 24557 C CG . LEU A 1 14 ? -6.618 11.908 -5.090 1.00 0.00 ? 14 LEU A CG 17 ATOM 24558 C CD1 . LEU A 1 14 ? -5.985 12.972 -5.972 1.00 0.00 ? 14 LEU A CD1 17 ATOM 24559 C CD2 . LEU A 1 14 ? -7.230 10.803 -5.940 1.00 0.00 ? 14 LEU A CD2 17 ATOM 24560 H H . LEU A 1 14 ? -6.150 12.660 -2.041 1.00 0.00 ? 14 LEU A H 17 ATOM 24561 H HA . LEU A 1 14 ? -7.108 10.266 -3.056 1.00 0.00 ? 14 LEU A HA 17 ATOM 24562 H HB2 . LEU A 1 14 ? -4.919 12.127 -3.834 1.00 0.00 ? 14 LEU A HB2 17 ATOM 24563 H HB3 . LEU A 1 14 ? -5.028 10.567 -4.647 1.00 0.00 ? 14 LEU A HB3 17 ATOM 24564 H HG . LEU A 1 14 ? -7.413 12.374 -4.523 1.00 0.00 ? 14 LEU A HG 17 ATOM 24565 H HD11 . LEU A 1 14 ? -5.493 12.501 -6.809 1.00 0.00 ? 14 LEU A HD11 17 ATOM 24566 H HD12 . LEU A 1 14 ? -5.261 13.531 -5.397 1.00 0.00 ? 14 LEU A HD12 17 ATOM 24567 H HD13 . LEU A 1 14 ? -6.751 13.642 -6.334 1.00 0.00 ? 14 LEU A HD13 17 ATOM 24568 H HD21 . LEU A 1 14 ? -7.654 10.047 -5.296 1.00 0.00 ? 14 LEU A HD21 17 ATOM 24569 H HD22 . LEU A 1 14 ? -6.464 10.360 -6.560 1.00 0.00 ? 14 LEU A HD22 17 ATOM 24570 H HD23 . LEU A 1 14 ? -8.005 11.219 -6.566 1.00 0.00 ? 14 LEU A HD23 17 ATOM 24571 N N . ALA A 1 15 ? -4.316 9.958 -1.431 1.00 0.00 ? 15 ALA A N 17 ATOM 24572 C CA . ALA A 1 15 ? -3.366 9.001 -0.877 1.00 0.00 ? 15 ALA A CA 17 ATOM 24573 C C . ALA A 1 15 ? -3.991 8.206 0.264 1.00 0.00 ? 15 ALA A C 17 ATOM 24574 O O . ALA A 1 15 ? -3.508 7.131 0.622 1.00 0.00 ? 15 ALA A O 17 ATOM 24575 C CB . ALA A 1 15 ? -2.113 9.719 -0.398 1.00 0.00 ? 15 ALA A CB 17 ATOM 24576 H H . ALA A 1 15 ? -4.299 10.886 -1.117 1.00 0.00 ? 15 ALA A H 17 ATOM 24577 H HA . ALA A 1 15 ? -3.082 8.319 -1.665 1.00 0.00 ? 15 ALA A HA 17 ATOM 24578 H HB1 . ALA A 1 15 ? -1.564 9.074 0.272 1.00 0.00 ? 15 ALA A HB1 17 ATOM 24579 H HB2 . ALA A 1 15 ? -1.494 9.968 -1.247 1.00 0.00 ? 15 ALA A HB2 17 ATOM 24580 H HB3 . ALA A 1 15 ? -2.393 10.623 0.122 1.00 0.00 ? 15 ALA A HB3 17 ATOM 24581 N N . HIS A 1 16 ? -5.068 8.740 0.832 1.00 0.00 ? 16 HIS A N 17 ATOM 24582 C CA . HIS A 1 16 ? -5.759 8.079 1.933 1.00 0.00 ? 16 HIS A CA 17 ATOM 24583 C C . HIS A 1 16 ? -6.802 7.096 1.408 1.00 0.00 ? 16 HIS A C 17 ATOM 24584 O O . HIS A 1 16 ? -6.876 5.956 1.863 1.00 0.00 ? 16 HIS A O 17 ATOM 24585 C CB . HIS A 1 16 ? -6.427 9.114 2.839 1.00 0.00 ? 16 HIS A CB 17 ATOM 24586 C CG . HIS A 1 16 ? -5.573 10.315 3.106 1.00 0.00 ? 16 HIS A CG 17 ATOM 24587 N ND1 . HIS A 1 16 ? -6.094 11.561 3.388 1.00 0.00 ? 16 HIS A ND1 17 ATOM 24588 C CD2 . HIS A 1 16 ? -4.227 10.457 3.134 1.00 0.00 ? 16 HIS A CD2 17 ATOM 24589 C CE1 . HIS A 1 16 ? -5.105 12.416 3.577 1.00 0.00 ? 16 HIS A CE1 17 ATOM 24590 N NE2 . HIS A 1 16 ? -3.962 11.772 3.429 1.00 0.00 ? 16 HIS A NE2 17 ATOM 24591 H H . HIS A 1 16 ? -5.405 9.599 0.502 1.00 0.00 ? 16 HIS A H 17 ATOM 24592 H HA . HIS A 1 16 ? -5.024 7.533 2.505 1.00 0.00 ? 16 HIS A HA 17 ATOM 24593 H HB2 . HIS A 1 16 ? -7.340 9.453 2.374 1.00 0.00 ? 16 HIS A HB2 17 ATOM 24594 H HB3 . HIS A 1 16 ? -6.661 8.655 3.788 1.00 0.00 ? 16 HIS A HB3 17 ATOM 24595 H HD1 . HIS A 1 16 ? -7.046 11.784 3.440 1.00 0.00 ? 16 HIS A HD1 17 ATOM 24596 H HD2 . HIS A 1 16 ? -3.497 9.680 2.958 1.00 0.00 ? 16 HIS A HD2 17 ATOM 24597 H HE1 . HIS A 1 16 ? -5.213 13.465 3.812 1.00 0.00 ? 16 HIS A HE1 17 ATOM 24598 H HE2 . HIS A 1 16 ? -3.075 12.188 3.431 1.00 0.00 ? 16 HIS A HE2 17 ATOM 24599 N N . GLN A 1 17 ? -7.604 7.548 0.450 1.00 0.00 ? 17 GLN A N 17 ATOM 24600 C CA . GLN A 1 17 ? -8.643 6.709 -0.135 1.00 0.00 ? 17 GLN A CA 17 ATOM 24601 C C . GLN A 1 17 ? -8.048 5.430 -0.715 1.00 0.00 ? 17 GLN A C 17 ATOM 24602 O O . GLN A 1 17 ? -8.750 4.437 -0.900 1.00 0.00 ? 17 GLN A O 17 ATOM 24603 C CB . GLN A 1 17 ? -9.395 7.476 -1.224 1.00 0.00 ? 17 GLN A CB 17 ATOM 24604 C CG . GLN A 1 17 ? -8.590 7.665 -2.500 1.00 0.00 ? 17 GLN A CG 17 ATOM 24605 C CD . GLN A 1 17 ? -9.448 8.103 -3.671 1.00 0.00 ? 17 GLN A CD 17 ATOM 24606 O OE1 . GLN A 1 17 ? -9.656 9.297 -3.890 1.00 0.00 ? 17 GLN A OE1 17 ATOM 24607 N NE2 . GLN A 1 17 ? -9.951 7.138 -4.431 1.00 0.00 ? 17 GLN A NE2 17 ATOM 24608 H H . GLN A 1 17 ? -7.495 8.467 0.129 1.00 0.00 ? 17 GLN A H 17 ATOM 24609 H HA . GLN A 1 17 ? -9.336 6.445 0.650 1.00 0.00 ? 17 GLN A HA 17 ATOM 24610 H HB2 . GLN A 1 17 ? -10.298 6.937 -1.469 1.00 0.00 ? 17 GLN A HB2 17 ATOM 24611 H HB3 . GLN A 1 17 ? -9.659 8.451 -0.844 1.00 0.00 ? 17 GLN A HB3 17 ATOM 24612 H HG2 . GLN A 1 17 ? -7.835 8.416 -2.327 1.00 0.00 ? 17 GLN A HG2 17 ATOM 24613 H HG3 . GLN A 1 17 ? -8.114 6.728 -2.752 1.00 0.00 ? 17 GLN A HG3 17 ATOM 24614 H HE21 . GLN A 1 17 ? -9.744 6.209 -4.196 1.00 0.00 ? 17 GLN A HE21 17 ATOM 24615 H HE22 . GLN A 1 17 ? -10.509 7.393 -5.194 1.00 0.00 ? 17 GLN A HE22 17 ATOM 24616 N N . GLN A 1 18 ? -6.750 5.464 -1.000 1.00 0.00 ? 18 GLN A N 17 ATOM 24617 C CA . GLN A 1 18 ? -6.061 4.308 -1.560 1.00 0.00 ? 18 GLN A CA 17 ATOM 24618 C C . GLN A 1 18 ? -5.458 3.446 -0.456 1.00 0.00 ? 18 GLN A C 17 ATOM 24619 O O . GLN A 1 18 ? -5.600 2.223 -0.461 1.00 0.00 ? 18 GLN A O 17 ATOM 24620 C CB . GLN A 1 18 ? -4.965 4.759 -2.527 1.00 0.00 ? 18 GLN A CB 17 ATOM 24621 C CG . GLN A 1 18 ? -5.499 5.271 -3.855 1.00 0.00 ? 18 GLN A CG 17 ATOM 24622 C CD . GLN A 1 18 ? -5.947 4.152 -4.775 1.00 0.00 ? 18 GLN A CD 17 ATOM 24623 O OE1 . GLN A 1 18 ? -6.591 3.197 -4.340 1.00 0.00 ? 18 GLN A OE1 17 ATOM 24624 N NE2 . GLN A 1 18 ? -5.607 4.264 -6.053 1.00 0.00 ? 18 GLN A NE2 17 ATOM 24625 H H . GLN A 1 18 ? -6.244 6.285 -0.829 1.00 0.00 ? 18 GLN A H 17 ATOM 24626 H HA . GLN A 1 18 ? -6.787 3.720 -2.102 1.00 0.00 ? 18 GLN A HA 17 ATOM 24627 H HB2 . GLN A 1 18 ? -4.396 5.551 -2.063 1.00 0.00 ? 18 GLN A HB2 17 ATOM 24628 H HB3 . GLN A 1 18 ? -4.310 3.924 -2.725 1.00 0.00 ? 18 GLN A HB3 17 ATOM 24629 H HG2 . GLN A 1 18 ? -6.342 5.918 -3.664 1.00 0.00 ? 18 GLN A HG2 17 ATOM 24630 H HG3 . GLN A 1 18 ? -4.720 5.833 -4.349 1.00 0.00 ? 18 GLN A HG3 17 ATOM 24631 H HE21 . GLN A 1 18 ? -5.091 5.052 -6.327 1.00 0.00 ? 18 GLN A HE21 17 ATOM 24632 H HE22 . GLN A 1 18 ? -5.882 3.555 -6.669 1.00 0.00 ? 18 GLN A HE22 17 ATOM 24633 N N . SER A 1 19 ? -4.783 4.091 0.490 1.00 0.00 ? 19 SER A N 17 ATOM 24634 C CA . SER A 1 19 ? -4.154 3.383 1.599 1.00 0.00 ? 19 SER A CA 17 ATOM 24635 C C . SER A 1 19 ? -5.175 2.535 2.351 1.00 0.00 ? 19 SER A C 17 ATOM 24636 O O . SER A 1 19 ? -4.920 1.373 2.667 1.00 0.00 ? 19 SER A O 17 ATOM 24637 C CB . SER A 1 19 ? -3.495 4.377 2.558 1.00 0.00 ? 19 SER A CB 17 ATOM 24638 O OG . SER A 1 19 ? -2.492 3.746 3.335 1.00 0.00 ? 19 SER A OG 17 ATOM 24639 H H . SER A 1 19 ? -4.704 5.067 0.439 1.00 0.00 ? 19 SER A H 17 ATOM 24640 H HA . SER A 1 19 ? -3.395 2.733 1.189 1.00 0.00 ? 19 SER A HA 17 ATOM 24641 H HB2 . SER A 1 19 ? -3.043 5.175 1.990 1.00 0.00 ? 19 SER A HB2 17 ATOM 24642 H HB3 . SER A 1 19 ? -4.244 4.785 3.220 1.00 0.00 ? 19 SER A HB3 17 ATOM 24643 H HG . SER A 1 19 ? -2.689 2.809 3.413 1.00 0.00 ? 19 SER A HG 17 ATOM 24644 N N . ARG A 1 20 ? -6.332 3.125 2.633 1.00 0.00 ? 20 ARG A N 17 ATOM 24645 C CA . ARG A 1 20 ? -7.392 2.424 3.349 1.00 0.00 ? 20 ARG A CA 17 ATOM 24646 C C . ARG A 1 20 ? -7.750 1.118 2.647 1.00 0.00 ? 20 ARG A C 17 ATOM 24647 O O . ARG A 1 20 ? -8.203 0.165 3.282 1.00 0.00 ? 20 ARG A O 17 ATOM 24648 C CB . ARG A 1 20 ? -8.632 3.312 3.461 1.00 0.00 ? 20 ARG A CB 17 ATOM 24649 C CG . ARG A 1 20 ? -9.051 3.944 2.144 1.00 0.00 ? 20 ARG A CG 17 ATOM 24650 C CD . ARG A 1 20 ? -10.059 3.077 1.406 1.00 0.00 ? 20 ARG A CD 17 ATOM 24651 N NE . ARG A 1 20 ? -10.934 3.868 0.544 1.00 0.00 ? 20 ARG A NE 17 ATOM 24652 C CZ . ARG A 1 20 ? -11.727 3.340 -0.381 1.00 0.00 ? 20 ARG A CZ 17 ATOM 24653 N NH1 . ARG A 1 20 ? -11.757 2.027 -0.563 1.00 0.00 ? 20 ARG A NH1 17 ATOM 24654 N NH2 . ARG A 1 20 ? -12.494 4.125 -1.126 1.00 0.00 ? 20 ARG A NH2 17 ATOM 24655 H H . ARG A 1 20 ? -6.476 4.053 2.355 1.00 0.00 ? 20 ARG A H 17 ATOM 24656 H HA . ARG A 1 20 ? -7.030 2.199 4.341 1.00 0.00 ? 20 ARG A HA 17 ATOM 24657 H HB2 . ARG A 1 20 ? -9.456 2.715 3.827 1.00 0.00 ? 20 ARG A HB2 17 ATOM 24658 H HB3 . ARG A 1 20 ? -8.431 4.103 4.167 1.00 0.00 ? 20 ARG A HB3 17 ATOM 24659 H HG2 . ARG A 1 20 ? -9.498 4.907 2.343 1.00 0.00 ? 20 ARG A HG2 17 ATOM 24660 H HG3 . ARG A 1 20 ? -8.177 4.072 1.524 1.00 0.00 ? 20 ARG A HG3 17 ATOM 24661 H HD2 . ARG A 1 20 ? -9.523 2.362 0.800 1.00 0.00 ? 20 ARG A HD2 17 ATOM 24662 H HD3 . ARG A 1 20 ? -10.662 2.553 2.132 1.00 0.00 ? 20 ARG A HD3 17 ATOM 24663 H HE . ARG A 1 20 ? -10.928 4.841 0.662 1.00 0.00 ? 20 ARG A HE 17 ATOM 24664 H HH11 . ARG A 1 20 ? -11.180 1.432 -0.002 1.00 0.00 ? 20 ARG A HH11 17 ATOM 24665 H HH12 . ARG A 1 20 ? -12.356 1.631 -1.259 1.00 0.00 ? 20 ARG A HH12 17 ATOM 24666 H HH21 . ARG A 1 20 ? -12.475 5.116 -0.992 1.00 0.00 ? 20 ARG A HH21 17 ATOM 24667 H HH22 . ARG A 1 20 ? -13.091 3.727 -1.822 1.00 0.00 ? 20 ARG A HH22 17 ATOM 24668 N N . ARG A 1 21 ? -7.543 1.081 1.335 1.00 0.00 ? 21 ARG A N 17 ATOM 24669 C CA . ARG A 1 21 ? -7.846 -0.108 0.547 1.00 0.00 ? 21 ARG A CA 17 ATOM 24670 C C . ARG A 1 21 ? -6.718 -1.131 0.651 1.00 0.00 ? 21 ARG A C 17 ATOM 24671 O O . ARG A 1 21 ? -6.964 -2.325 0.819 1.00 0.00 ? 21 ARG A O 17 ATOM 24672 C CB . ARG A 1 21 ? -8.073 0.269 -0.918 1.00 0.00 ? 21 ARG A CB 17 ATOM 24673 C CG . ARG A 1 21 ? -8.067 -0.922 -1.862 1.00 0.00 ? 21 ARG A CG 17 ATOM 24674 C CD . ARG A 1 21 ? -7.572 -0.534 -3.246 1.00 0.00 ? 21 ARG A CD 17 ATOM 24675 N NE . ARG A 1 21 ? -8.670 -0.169 -4.137 1.00 0.00 ? 21 ARG A NE 17 ATOM 24676 C CZ . ARG A 1 21 ? -8.494 0.405 -5.322 1.00 0.00 ? 21 ARG A CZ 17 ATOM 24677 N NH1 . ARG A 1 21 ? -7.271 0.678 -5.756 1.00 0.00 ? 21 ARG A NH1 17 ATOM 24678 N NH2 . ARG A 1 21 ? -9.543 0.708 -6.076 1.00 0.00 ? 21 ARG A NH2 17 ATOM 24679 H H . ARG A 1 21 ? -7.180 1.872 0.885 1.00 0.00 ? 21 ARG A H 17 ATOM 24680 H HA . ARG A 1 21 ? -8.751 -0.546 0.942 1.00 0.00 ? 21 ARG A HA 17 ATOM 24681 H HB2 . ARG A 1 21 ? -9.029 0.765 -1.006 1.00 0.00 ? 21 ARG A HB2 17 ATOM 24682 H HB3 . ARG A 1 21 ? -7.294 0.949 -1.227 1.00 0.00 ? 21 ARG A HB3 17 ATOM 24683 H HG2 . ARG A 1 21 ? -7.416 -1.685 -1.460 1.00 0.00 ? 21 ARG A HG2 17 ATOM 24684 H HG3 . ARG A 1 21 ? -9.071 -1.310 -1.943 1.00 0.00 ? 21 ARG A HG3 17 ATOM 24685 H HD2 . ARG A 1 21 ? -6.903 0.308 -3.151 1.00 0.00 ? 21 ARG A HD2 17 ATOM 24686 H HD3 . ARG A 1 21 ? -7.039 -1.371 -3.671 1.00 0.00 ? 21 ARG A HD3 17 ATOM 24687 H HE . ARG A 1 21 ? -9.582 -0.361 -3.836 1.00 0.00 ? 21 ARG A HE 17 ATOM 24688 H HH11 . ARG A 1 21 ? -6.479 0.450 -5.191 1.00 0.00 ? 21 ARG A HH11 17 ATOM 24689 H HH12 . ARG A 1 21 ? -7.142 1.109 -6.649 1.00 0.00 ? 21 ARG A HH12 17 ATOM 24690 H HH21 . ARG A 1 21 ? -10.467 0.504 -5.752 1.00 0.00 ? 21 ARG A HH21 17 ATOM 24691 H HH22 . ARG A 1 21 ? -9.410 1.140 -6.967 1.00 0.00 ? 21 ARG A HH22 17 ATOM 24692 N N . ALA A 1 22 ? -5.482 -0.653 0.550 1.00 0.00 ? 22 ALA A N 17 ATOM 24693 C CA . ALA A 1 22 ? -4.317 -1.525 0.634 1.00 0.00 ? 22 ALA A CA 17 ATOM 24694 C C . ALA A 1 22 ? -4.427 -2.475 1.822 1.00 0.00 ? 22 ALA A C 17 ATOM 24695 O O . ALA A 1 22 ? -4.271 -3.688 1.676 1.00 0.00 ? 22 ALA A O 17 ATOM 24696 C CB . ALA A 1 22 ? -3.044 -0.698 0.734 1.00 0.00 ? 22 ALA A CB 17 ATOM 24697 H H . ALA A 1 22 ? -5.351 0.308 0.417 1.00 0.00 ? 22 ALA A H 17 ATOM 24698 H HA . ALA A 1 22 ? -4.269 -2.107 -0.276 1.00 0.00 ? 22 ALA A HA 17 ATOM 24699 H HB1 . ALA A 1 22 ? -2.440 -1.065 1.550 1.00 0.00 ? 22 ALA A HB1 17 ATOM 24700 H HB2 . ALA A 1 22 ? -2.490 -0.777 -0.190 1.00 0.00 ? 22 ALA A HB2 17 ATOM 24701 H HB3 . ALA A 1 22 ? -3.301 0.336 0.912 1.00 0.00 ? 22 ALA A HB3 17 ATOM 24702 N N . ASP A 1 23 ? -4.695 -1.917 2.997 1.00 0.00 ? 23 ASP A N 17 ATOM 24703 C CA . ASP A 1 23 ? -4.826 -2.715 4.211 1.00 0.00 ? 23 ASP A CA 17 ATOM 24704 C C . ASP A 1 23 ? -5.811 -3.861 4.004 1.00 0.00 ? 23 ASP A C 17 ATOM 24705 O O . ASP A 1 23 ? -5.489 -5.022 4.255 1.00 0.00 ? 23 ASP A O 17 ATOM 24706 C CB . ASP A 1 23 ? -5.283 -1.837 5.377 1.00 0.00 ? 23 ASP A CB 17 ATOM 24707 C CG . ASP A 1 23 ? -4.818 -2.368 6.718 1.00 0.00 ? 23 ASP A CG 17 ATOM 24708 O OD1 . ASP A 1 23 ? -3.628 -2.181 7.050 1.00 0.00 ? 23 ASP A OD1 17 ATOM 24709 O OD2 . ASP A 1 23 ? -5.643 -2.969 7.437 1.00 0.00 ? 23 ASP A OD2 17 ATOM 24710 H H . ASP A 1 23 ? -4.809 -0.944 3.049 1.00 0.00 ? 23 ASP A H 17 ATOM 24711 H HA . ASP A 1 23 ? -3.856 -3.128 4.442 1.00 0.00 ? 23 ASP A HA 17 ATOM 24712 H HB2 . ASP A 1 23 ? -4.885 -0.841 5.247 1.00 0.00 ? 23 ASP A HB2 17 ATOM 24713 H HB3 . ASP A 1 23 ? -6.362 -1.791 5.383 1.00 0.00 ? 23 ASP A HB3 17 ATOM 24714 N N . ARG A 1 24 ? -7.013 -3.526 3.545 1.00 0.00 ? 24 ARG A N 17 ATOM 24715 C CA . ARG A 1 24 ? -8.046 -4.527 3.307 1.00 0.00 ? 24 ARG A CA 17 ATOM 24716 C C . ARG A 1 24 ? -7.535 -5.626 2.381 1.00 0.00 ? 24 ARG A C 17 ATOM 24717 O O . ARG A 1 24 ? -7.937 -6.785 2.494 1.00 0.00 ? 24 ARG A O 17 ATOM 24718 C CB . ARG A 1 24 ? -9.290 -3.873 2.702 1.00 0.00 ? 24 ARG A CB 17 ATOM 24719 C CG . ARG A 1 24 ? -10.025 -2.956 3.665 1.00 0.00 ? 24 ARG A CG 17 ATOM 24720 C CD . ARG A 1 24 ? -10.922 -3.742 4.608 1.00 0.00 ? 24 ARG A CD 17 ATOM 24721 N NE . ARG A 1 24 ? -12.196 -4.092 3.988 1.00 0.00 ? 24 ARG A NE 17 ATOM 24722 C CZ . ARG A 1 24 ? -13.096 -4.888 4.555 1.00 0.00 ? 24 ARG A CZ 17 ATOM 24723 N NH1 . ARG A 1 24 ? -12.862 -5.412 5.750 1.00 0.00 ? 24 ARG A NH1 17 ATOM 24724 N NH2 . ARG A 1 24 ? -14.233 -5.160 3.928 1.00 0.00 ? 24 ARG A NH2 17 ATOM 24725 H H . ARG A 1 24 ? -7.210 -2.583 3.363 1.00 0.00 ? 24 ARG A H 17 ATOM 24726 H HA . ARG A 1 24 ? -8.308 -4.966 4.258 1.00 0.00 ? 24 ARG A HA 17 ATOM 24727 H HB2 . ARG A 1 24 ? -8.994 -3.292 1.841 1.00 0.00 ? 24 ARG A HB2 17 ATOM 24728 H HB3 . ARG A 1 24 ? -9.971 -4.648 2.385 1.00 0.00 ? 24 ARG A HB3 17 ATOM 24729 H HG2 . ARG A 1 24 ? -9.301 -2.406 4.248 1.00 0.00 ? 24 ARG A HG2 17 ATOM 24730 H HG3 . ARG A 1 24 ? -10.632 -2.266 3.097 1.00 0.00 ? 24 ARG A HG3 17 ATOM 24731 H HD2 . ARG A 1 24 ? -10.411 -4.649 4.896 1.00 0.00 ? 24 ARG A HD2 17 ATOM 24732 H HD3 . ARG A 1 24 ? -11.112 -3.142 5.486 1.00 0.00 ? 24 ARG A HD3 17 ATOM 24733 H HE . ARG A 1 24 ? -12.390 -3.716 3.104 1.00 0.00 ? 24 ARG A HE 17 ATOM 24734 H HH11 . ARG A 1 24 ? -12.007 -5.208 6.226 1.00 0.00 ? 24 ARG A HH11 17 ATOM 24735 H HH12 . ARG A 1 24 ? -13.542 -6.009 6.176 1.00 0.00 ? 24 ARG A HH12 17 ATOM 24736 H HH21 . ARG A 1 24 ? -14.413 -4.766 3.027 1.00 0.00 ? 24 ARG A HH21 17 ATOM 24737 H HH22 . ARG A 1 24 ? -14.909 -5.758 4.355 1.00 0.00 ? 24 ARG A HH22 17 ATOM 24738 N N . LEU A 1 25 ? -6.646 -5.256 1.466 1.00 0.00 ? 25 LEU A N 17 ATOM 24739 C CA . LEU A 1 25 ? -6.079 -6.210 0.520 1.00 0.00 ? 25 LEU A CA 17 ATOM 24740 C C . LEU A 1 25 ? -5.049 -7.106 1.200 1.00 0.00 ? 25 LEU A C 17 ATOM 24741 O O . LEU A 1 25 ? -5.001 -8.312 0.957 1.00 0.00 ? 25 LEU A O 17 ATOM 24742 C CB . LEU A 1 25 ? -5.433 -5.472 -0.654 1.00 0.00 ? 25 LEU A CB 17 ATOM 24743 C CG . LEU A 1 25 ? -6.394 -4.898 -1.696 1.00 0.00 ? 25 LEU A CG 17 ATOM 24744 C CD1 . LEU A 1 25 ? -5.686 -3.870 -2.566 1.00 0.00 ? 25 LEU A CD1 17 ATOM 24745 C CD2 . LEU A 1 25 ? -6.980 -6.011 -2.553 1.00 0.00 ? 25 LEU A CD2 17 ATOM 24746 H H . LEU A 1 25 ? -6.363 -4.319 1.425 1.00 0.00 ? 25 LEU A H 17 ATOM 24747 H HA . LEU A 1 25 ? -6.884 -6.826 0.148 1.00 0.00 ? 25 LEU A HA 17 ATOM 24748 H HB2 . LEU A 1 25 ? -4.854 -4.655 -0.253 1.00 0.00 ? 25 LEU A HB2 17 ATOM 24749 H HB3 . LEU A 1 25 ? -4.774 -6.165 -1.157 1.00 0.00 ? 25 LEU A HB3 17 ATOM 24750 H HG . LEU A 1 25 ? -7.209 -4.401 -1.189 1.00 0.00 ? 25 LEU A HG 17 ATOM 24751 H HD11 . LEU A 1 25 ? -4.636 -3.851 -2.318 1.00 0.00 ? 25 LEU A HD11 17 ATOM 24752 H HD12 . LEU A 1 25 ? -6.115 -2.895 -2.391 1.00 0.00 ? 25 LEU A HD12 17 ATOM 24753 H HD13 . LEU A 1 25 ? -5.807 -4.135 -3.606 1.00 0.00 ? 25 LEU A HD13 17 ATOM 24754 H HD21 . LEU A 1 25 ? -6.871 -6.955 -2.039 1.00 0.00 ? 25 LEU A HD21 17 ATOM 24755 H HD22 . LEU A 1 25 ? -6.455 -6.053 -3.496 1.00 0.00 ? 25 LEU A HD22 17 ATOM 24756 H HD23 . LEU A 1 25 ? -8.027 -5.816 -2.730 1.00 0.00 ? 25 LEU A HD23 17 ATOM 24757 N N . LEU A 1 26 ? -4.227 -6.509 2.056 1.00 0.00 ? 26 LEU A N 17 ATOM 24758 C CA . LEU A 1 26 ? -3.198 -7.252 2.775 1.00 0.00 ? 26 LEU A CA 17 ATOM 24759 C C . LEU A 1 26 ? -3.816 -8.375 3.603 1.00 0.00 ? 26 LEU A C 17 ATOM 24760 O O . LEU A 1 26 ? -3.268 -9.474 3.683 1.00 0.00 ? 26 LEU A O 17 ATOM 24761 C CB . LEU A 1 26 ? -2.402 -6.313 3.682 1.00 0.00 ? 26 LEU A CB 17 ATOM 24762 C CG . LEU A 1 26 ? -1.749 -6.956 4.907 1.00 0.00 ? 26 LEU A CG 17 ATOM 24763 C CD1 . LEU A 1 26 ? -0.649 -7.916 4.483 1.00 0.00 ? 26 LEU A CD1 17 ATOM 24764 C CD2 . LEU A 1 26 ? -1.197 -5.887 5.839 1.00 0.00 ? 26 LEU A CD2 17 ATOM 24765 H H . LEU A 1 26 ? -4.313 -5.545 2.209 1.00 0.00 ? 26 LEU A H 17 ATOM 24766 H HA . LEU A 1 26 ? -2.531 -7.685 2.044 1.00 0.00 ? 26 LEU A HA 17 ATOM 24767 H HB2 . LEU A 1 26 ? -1.620 -5.864 3.089 1.00 0.00 ? 26 LEU A HB2 17 ATOM 24768 H HB3 . LEU A 1 26 ? -3.075 -5.542 4.031 1.00 0.00 ? 26 LEU A HB3 17 ATOM 24769 H HG . LEU A 1 26 ? -2.495 -7.521 5.449 1.00 0.00 ? 26 LEU A HG 17 ATOM 24770 H HD11 . LEU A 1 26 ? 0.280 -7.377 4.382 1.00 0.00 ? 26 LEU A HD11 17 ATOM 24771 H HD12 . LEU A 1 26 ? -0.909 -8.366 3.536 1.00 0.00 ? 26 LEU A HD12 17 ATOM 24772 H HD13 . LEU A 1 26 ? -0.539 -8.689 5.230 1.00 0.00 ? 26 LEU A HD13 17 ATOM 24773 H HD21 . LEU A 1 26 ? -0.537 -5.235 5.287 1.00 0.00 ? 26 LEU A HD21 17 ATOM 24774 H HD22 . LEU A 1 26 ? -0.649 -6.359 6.642 1.00 0.00 ? 26 LEU A HD22 17 ATOM 24775 H HD23 . LEU A 1 26 ? -2.013 -5.311 6.250 1.00 0.00 ? 26 LEU A HD23 17 ATOM 24776 N N . ALA A 1 27 ? -4.961 -8.090 4.215 1.00 0.00 ? 27 ALA A N 17 ATOM 24777 C CA . ALA A 1 27 ? -5.655 -9.077 5.033 1.00 0.00 ? 27 ALA A CA 17 ATOM 24778 C C . ALA A 1 27 ? -6.105 -10.267 4.193 1.00 0.00 ? 27 ALA A C 17 ATOM 24779 O O . ALA A 1 27 ? -6.063 -11.410 4.647 1.00 0.00 ? 27 ALA A O 17 ATOM 24780 C CB . ALA A 1 27 ? -6.848 -8.439 5.730 1.00 0.00 ? 27 ALA A CB 17 ATOM 24781 H H . ALA A 1 27 ? -5.348 -7.196 4.113 1.00 0.00 ? 27 ALA A H 17 ATOM 24782 H HA . ALA A 1 27 ? -4.969 -9.424 5.792 1.00 0.00 ? 27 ALA A HA 17 ATOM 24783 H HB1 . ALA A 1 27 ? -7.073 -7.492 5.261 1.00 0.00 ? 27 ALA A HB1 17 ATOM 24784 H HB2 . ALA A 1 27 ? -7.703 -9.093 5.650 1.00 0.00 ? 27 ALA A HB2 17 ATOM 24785 H HB3 . ALA A 1 27 ? -6.613 -8.279 6.771 1.00 0.00 ? 27 ALA A HB3 17 ATOM 24786 N N . ALA A 1 28 ? -6.537 -9.991 2.967 1.00 0.00 ? 28 ALA A N 17 ATOM 24787 C CA . ALA A 1 28 ? -6.994 -11.040 2.063 1.00 0.00 ? 28 ALA A CA 17 ATOM 24788 C C . ALA A 1 28 ? -5.827 -11.646 1.292 1.00 0.00 ? 28 ALA A C 17 ATOM 24789 O O . ALA A 1 28 ? -6.009 -12.209 0.213 1.00 0.00 ? 28 ALA A O 17 ATOM 24790 C CB . ALA A 1 28 ? -8.037 -10.490 1.101 1.00 0.00 ? 28 ALA A CB 17 ATOM 24791 H H . ALA A 1 28 ? -6.547 -9.060 2.662 1.00 0.00 ? 28 ALA A H 17 ATOM 24792 H HA . ALA A 1 28 ? -7.460 -11.813 2.658 1.00 0.00 ? 28 ALA A HA 17 ATOM 24793 H HB1 . ALA A 1 28 ? -8.512 -11.309 0.581 1.00 0.00 ? 28 ALA A HB1 17 ATOM 24794 H HB2 . ALA A 1 28 ? -8.779 -9.935 1.654 1.00 0.00 ? 28 ALA A HB2 17 ATOM 24795 H HB3 . ALA A 1 28 ? -7.558 -9.839 0.386 1.00 0.00 ? 28 ALA A HB3 17 ATOM 24796 N N . GLY A 1 29 ? -4.627 -11.527 1.852 1.00 0.00 ? 29 GLY A N 17 ATOM 24797 C CA . GLY A 1 29 ? -3.448 -12.068 1.202 1.00 0.00 ? 29 GLY A CA 17 ATOM 24798 C C . GLY A 1 29 ? -3.228 -11.485 -0.180 1.00 0.00 ? 29 GLY A C 17 ATOM 24799 O O . GLY A 1 29 ? -2.555 -12.087 -1.017 1.00 0.00 ? 29 GLY A O 17 ATOM 24800 H H . GLY A 1 29 ? -4.542 -11.068 2.714 1.00 0.00 ? 29 GLY A H 17 ATOM 24801 H HA2 . GLY A 1 29 ? -2.583 -11.855 1.813 1.00 0.00 ? 29 GLY A HA2 17 ATOM 24802 H HA3 . GLY A 1 29 ? -3.558 -13.139 1.114 1.00 0.00 ? 29 GLY A HA3 17 ATOM 24803 N N . LYS A 1 30 ? -3.800 -10.310 -0.422 1.00 0.00 ? 30 LYS A N 17 ATOM 24804 C CA . LYS A 1 30 ? -3.664 -9.644 -1.712 1.00 0.00 ? 30 LYS A CA 17 ATOM 24805 C C . LYS A 1 30 ? -2.491 -8.670 -1.701 1.00 0.00 ? 30 LYS A C 17 ATOM 24806 O O . LYS A 1 30 ? -2.553 -7.601 -2.310 1.00 0.00 ? 30 LYS A O 17 ATOM 24807 C CB . LYS A 1 30 ? -4.955 -8.900 -2.063 1.00 0.00 ? 30 LYS A CB 17 ATOM 24808 C CG . LYS A 1 30 ? -6.130 -9.821 -2.347 1.00 0.00 ? 30 LYS A CG 17 ATOM 24809 C CD . LYS A 1 30 ? -5.954 -10.560 -3.663 1.00 0.00 ? 30 LYS A CD 17 ATOM 24810 C CE . LYS A 1 30 ? -7.294 -10.950 -4.266 1.00 0.00 ? 30 LYS A CE 17 ATOM 24811 N NZ . LYS A 1 30 ? -7.133 -11.867 -5.429 1.00 0.00 ? 30 LYS A NZ 17 ATOM 24812 H H . LYS A 1 30 ? -4.325 -9.879 0.286 1.00 0.00 ? 30 LYS A H 17 ATOM 24813 H HA . LYS A 1 30 ? -3.481 -10.402 -2.459 1.00 0.00 ? 30 LYS A HA 17 ATOM 24814 H HB2 . LYS A 1 30 ? -5.221 -8.256 -1.238 1.00 0.00 ? 30 LYS A HB2 17 ATOM 24815 H HB3 . LYS A 1 30 ? -4.780 -8.294 -2.940 1.00 0.00 ? 30 LYS A HB3 17 ATOM 24816 H HG2 . LYS A 1 30 ? -6.210 -10.544 -1.548 1.00 0.00 ? 30 LYS A HG2 17 ATOM 24817 H HG3 . LYS A 1 30 ? -7.034 -9.231 -2.393 1.00 0.00 ? 30 LYS A HG3 17 ATOM 24818 H HD2 . LYS A 1 30 ? -5.431 -9.920 -4.358 1.00 0.00 ? 30 LYS A HD2 17 ATOM 24819 H HD3 . LYS A 1 30 ? -5.373 -11.455 -3.488 1.00 0.00 ? 30 LYS A HD3 17 ATOM 24820 H HE2 . LYS A 1 30 ? -7.886 -11.442 -3.509 1.00 0.00 ? 30 LYS A HE2 17 ATOM 24821 H HE3 . LYS A 1 30 ? -7.801 -10.054 -4.593 1.00 0.00 ? 30 LYS A HE3 17 ATOM 24822 H HZ1 . LYS A 1 30 ? -7.869 -12.602 -5.408 1.00 0.00 ? 30 LYS A HZ1 17 ATOM 24823 H HZ2 . LYS A 1 30 ? -6.201 -12.326 -5.395 1.00 0.00 ? 30 LYS A HZ2 17 ATOM 24824 H HZ3 . LYS A 1 30 ? -7.215 -11.334 -6.318 1.00 0.00 ? 30 LYS A HZ3 17 ATOM 24825 N N . TYR A 1 31 ? -1.423 -9.046 -1.007 1.00 0.00 ? 31 TYR A N 17 ATOM 24826 C CA . TYR A 1 31 ? -0.235 -8.204 -0.916 1.00 0.00 ? 31 TYR A CA 17 ATOM 24827 C C . TYR A 1 31 ? 0.015 -7.471 -2.231 1.00 0.00 ? 31 TYR A C 17 ATOM 24828 O O . TYR A 1 31 ? -0.089 -6.247 -2.301 1.00 0.00 ? 31 TYR A O 17 ATOM 24829 C CB . TYR A 1 31 ? 0.987 -9.048 -0.550 1.00 0.00 ? 31 TYR A CB 17 ATOM 24830 C CG . TYR A 1 31 ? 0.730 -10.030 0.571 1.00 0.00 ? 31 TYR A CG 17 ATOM 24831 C CD1 . TYR A 1 31 ? 0.807 -9.633 1.900 1.00 0.00 ? 31 TYR A CD1 17 ATOM 24832 C CD2 . TYR A 1 31 ? 0.413 -11.356 0.301 1.00 0.00 ? 31 TYR A CD2 17 ATOM 24833 C CE1 . TYR A 1 31 ? 0.574 -10.526 2.928 1.00 0.00 ? 31 TYR A CE1 17 ATOM 24834 C CE2 . TYR A 1 31 ? 0.177 -12.256 1.322 1.00 0.00 ? 31 TYR A CE2 17 ATOM 24835 C CZ . TYR A 1 31 ? 0.259 -11.836 2.634 1.00 0.00 ? 31 TYR A CZ 17 ATOM 24836 O OH . TYR A 1 31 ? 0.026 -12.730 3.653 1.00 0.00 ? 31 TYR A OH 17 ATOM 24837 H H . TYR A 1 31 ? -1.433 -9.909 -0.543 1.00 0.00 ? 31 TYR A H 17 ATOM 24838 H HA . TYR A 1 31 ? -0.404 -7.475 -0.137 1.00 0.00 ? 31 TYR A HA 17 ATOM 24839 H HB2 . TYR A 1 31 ? 1.301 -9.610 -1.416 1.00 0.00 ? 31 TYR A HB2 17 ATOM 24840 H HB3 . TYR A 1 31 ? 1.788 -8.394 -0.241 1.00 0.00 ? 31 TYR A HB3 17 ATOM 24841 H HD1 . TYR A 1 31 ? 1.054 -8.606 2.127 1.00 0.00 ? 31 TYR A HD1 17 ATOM 24842 H HD2 . TYR A 1 31 ? 0.349 -11.681 -0.727 1.00 0.00 ? 31 TYR A HD2 17 ATOM 24843 H HE1 . TYR A 1 31 ? 0.638 -10.199 3.955 1.00 0.00 ? 31 TYR A HE1 17 ATOM 24844 H HE2 . TYR A 1 31 ? -0.070 -13.282 1.092 1.00 0.00 ? 31 TYR A HE2 17 ATOM 24845 H HH . TYR A 1 31 ? -0.919 -12.801 3.808 1.00 0.00 ? 31 TYR A HH 17 ATOM 24846 N N . GLU A 1 32 ? 0.345 -8.231 -3.271 1.00 0.00 ? 32 GLU A N 17 ATOM 24847 C CA . GLU A 1 32 ? 0.610 -7.654 -4.584 1.00 0.00 ? 32 GLU A CA 17 ATOM 24848 C C . GLU A 1 32 ? -0.302 -6.459 -4.847 1.00 0.00 ? 32 GLU A C 17 ATOM 24849 O O . GLU A 1 32 ? 0.170 -5.348 -5.087 1.00 0.00 ? 32 GLU A O 17 ATOM 24850 C CB . GLU A 1 32 ? 0.416 -8.707 -5.677 1.00 0.00 ? 32 GLU A CB 17 ATOM 24851 C CG . GLU A 1 32 ? 1.039 -8.324 -7.008 1.00 0.00 ? 32 GLU A CG 17 ATOM 24852 C CD . GLU A 1 32 ? 0.367 -9.005 -8.185 1.00 0.00 ? 32 GLU A CD 17 ATOM 24853 O OE1 . GLU A 1 32 ? -0.219 -10.090 -7.987 1.00 0.00 ? 32 GLU A OE1 17 ATOM 24854 O OE2 . GLU A 1 32 ? 0.428 -8.453 -9.303 1.00 0.00 ? 32 GLU A OE2 17 ATOM 24855 H H . GLU A 1 32 ? 0.412 -9.201 -3.152 1.00 0.00 ? 32 GLU A H 17 ATOM 24856 H HA . GLU A 1 32 ? 1.636 -7.319 -4.598 1.00 0.00 ? 32 GLU A HA 17 ATOM 24857 H HB2 . GLU A 1 32 ? 0.860 -9.635 -5.348 1.00 0.00 ? 32 GLU A HB2 17 ATOM 24858 H HB3 . GLU A 1 32 ? -0.642 -8.859 -5.829 1.00 0.00 ? 32 GLU A HB3 17 ATOM 24859 H HG2 . GLU A 1 32 ? 0.956 -7.255 -7.136 1.00 0.00 ? 32 GLU A HG2 17 ATOM 24860 H HG3 . GLU A 1 32 ? 2.082 -8.604 -6.997 1.00 0.00 ? 32 GLU A HG3 17 ATOM 24861 N N . GLU A 1 33 ? -1.609 -6.697 -4.800 1.00 0.00 ? 33 GLU A N 17 ATOM 24862 C CA . GLU A 1 33 ? -2.586 -5.640 -5.034 1.00 0.00 ? 33 GLU A CA 17 ATOM 24863 C C . GLU A 1 33 ? -2.249 -4.397 -4.216 1.00 0.00 ? 33 GLU A C 17 ATOM 24864 O O . GLU A 1 33 ? -2.250 -3.281 -4.735 1.00 0.00 ? 33 GLU A O 17 ATOM 24865 C CB . GLU A 1 33 ? -3.993 -6.129 -4.684 1.00 0.00 ? 33 GLU A CB 17 ATOM 24866 C CG . GLU A 1 33 ? -4.459 -7.300 -5.533 1.00 0.00 ? 33 GLU A CG 17 ATOM 24867 C CD . GLU A 1 33 ? -5.963 -7.318 -5.726 1.00 0.00 ? 33 GLU A CD 17 ATOM 24868 O OE1 . GLU A 1 33 ? -6.495 -6.369 -6.339 1.00 0.00 ? 33 GLU A OE1 17 ATOM 24869 O OE2 . GLU A 1 33 ? -6.608 -8.282 -5.263 1.00 0.00 ? 33 GLU A OE2 17 ATOM 24870 H H . GLU A 1 33 ? -1.923 -7.604 -4.603 1.00 0.00 ? 33 GLU A H 17 ATOM 24871 H HA . GLU A 1 33 ? -2.554 -5.386 -6.083 1.00 0.00 ? 33 GLU A HA 17 ATOM 24872 H HB2 . GLU A 1 33 ? -4.008 -6.433 -3.648 1.00 0.00 ? 33 GLU A HB2 17 ATOM 24873 H HB3 . GLU A 1 33 ? -4.688 -5.314 -4.820 1.00 0.00 ? 33 GLU A HB3 17 ATOM 24874 H HG2 . GLU A 1 33 ? -3.989 -7.235 -6.502 1.00 0.00 ? 33 GLU A HG2 17 ATOM 24875 H HG3 . GLU A 1 33 ? -4.161 -8.219 -5.050 1.00 0.00 ? 33 GLU A HG3 17 ATOM 24876 N N . ALA A 1 34 ? -1.963 -4.598 -2.934 1.00 0.00 ? 34 ALA A N 17 ATOM 24877 C CA . ALA A 1 34 ? -1.623 -3.495 -2.044 1.00 0.00 ? 34 ALA A CA 17 ATOM 24878 C C . ALA A 1 34 ? -0.305 -2.846 -2.453 1.00 0.00 ? 34 ALA A C 17 ATOM 24879 O O . ALA A 1 34 ? -0.248 -1.643 -2.707 1.00 0.00 ? 34 ALA A O 17 ATOM 24880 C CB . ALA A 1 34 ? -1.551 -3.981 -0.605 1.00 0.00 ? 34 ALA A CB 17 ATOM 24881 H H . ALA A 1 34 ? -1.979 -5.511 -2.579 1.00 0.00 ? 34 ALA A H 17 ATOM 24882 H HA . ALA A 1 34 ? -2.411 -2.758 -2.111 1.00 0.00 ? 34 ALA A HA 17 ATOM 24883 H HB1 . ALA A 1 34 ? -1.770 -3.160 0.063 1.00 0.00 ? 34 ALA A HB1 17 ATOM 24884 H HB2 . ALA A 1 34 ? -2.272 -4.770 -0.455 1.00 0.00 ? 34 ALA A HB2 17 ATOM 24885 H HB3 . ALA A 1 34 ? -0.559 -4.356 -0.401 1.00 0.00 ? 34 ALA A HB3 17 ATOM 24886 N N . ILE A 1 35 ? 0.751 -3.650 -2.513 1.00 0.00 ? 35 ILE A N 17 ATOM 24887 C CA . ILE A 1 35 ? 2.068 -3.153 -2.891 1.00 0.00 ? 35 ILE A CA 17 ATOM 24888 C C . ILE A 1 35 ? 1.960 -2.044 -3.932 1.00 0.00 ? 35 ILE A C 17 ATOM 24889 O O . ILE A 1 35 ? 2.402 -0.919 -3.703 1.00 0.00 ? 35 ILE A O 17 ATOM 24890 C CB . ILE A 1 35 ? 2.956 -4.281 -3.449 1.00 0.00 ? 35 ILE A CB 17 ATOM 24891 C CG1 . ILE A 1 35 ? 3.206 -5.342 -2.375 1.00 0.00 ? 35 ILE A CG1 17 ATOM 24892 C CG2 . ILE A 1 35 ? 4.273 -3.715 -3.959 1.00 0.00 ? 35 ILE A CG2 17 ATOM 24893 C CD1 . ILE A 1 35 ? 3.804 -6.621 -2.918 1.00 0.00 ? 35 ILE A CD1 17 ATOM 24894 H H . ILE A 1 35 ? 0.642 -4.600 -2.299 1.00 0.00 ? 35 ILE A H 17 ATOM 24895 H HA . ILE A 1 35 ? 2.541 -2.755 -2.004 1.00 0.00 ? 35 ILE A HA 17 ATOM 24896 H HB . ILE A 1 35 ? 2.441 -4.735 -4.281 1.00 0.00 ? 35 ILE A HB 17 ATOM 24897 H HG12 . ILE A 1 35 ? 3.886 -4.946 -1.638 1.00 0.00 ? 35 ILE A HG12 17 ATOM 24898 H HG13 . ILE A 1 35 ? 2.269 -5.589 -1.899 1.00 0.00 ? 35 ILE A HG13 17 ATOM 24899 H HG21 . ILE A 1 35 ? 5.094 -4.273 -3.533 1.00 0.00 ? 35 ILE A HG21 17 ATOM 24900 H HG22 . ILE A 1 35 ? 4.305 -3.793 -5.035 1.00 0.00 ? 35 ILE A HG22 17 ATOM 24901 H HG23 . ILE A 1 35 ? 4.355 -2.678 -3.670 1.00 0.00 ? 35 ILE A HG23 17 ATOM 24902 H HD11 . ILE A 1 35 ? 3.165 -7.454 -2.664 1.00 0.00 ? 35 ILE A HD11 17 ATOM 24903 H HD12 . ILE A 1 35 ? 3.895 -6.550 -3.991 1.00 0.00 ? 35 ILE A HD12 17 ATOM 24904 H HD13 . ILE A 1 35 ? 4.782 -6.774 -2.484 1.00 0.00 ? 35 ILE A HD13 17 ATOM 24905 N N . SER A 1 36 ? 1.366 -2.370 -5.075 1.00 0.00 ? 36 SER A N 17 ATOM 24906 C CA . SER A 1 36 ? 1.200 -1.402 -6.153 1.00 0.00 ? 36 SER A CA 17 ATOM 24907 C C . SER A 1 36 ? 0.459 -0.162 -5.661 1.00 0.00 ? 36 SER A C 17 ATOM 24908 O O . SER A 1 36 ? 0.959 0.958 -5.772 1.00 0.00 ? 36 SER A O 17 ATOM 24909 C CB . SER A 1 36 ? 0.441 -2.033 -7.322 1.00 0.00 ? 36 SER A CB 17 ATOM 24910 O OG . SER A 1 36 ? -0.813 -2.541 -6.900 1.00 0.00 ? 36 SER A OG 17 ATOM 24911 H H . SER A 1 36 ? 1.033 -3.284 -5.198 1.00 0.00 ? 36 SER A H 17 ATOM 24912 H HA . SER A 1 36 ? 2.183 -1.109 -6.490 1.00 0.00 ? 36 SER A HA 17 ATOM 24913 H HB2 . SER A 1 36 ? 0.275 -1.287 -8.084 1.00 0.00 ? 36 SER A HB2 17 ATOM 24914 H HB3 . SER A 1 36 ? 1.026 -2.843 -7.731 1.00 0.00 ? 36 SER A HB3 17 ATOM 24915 H HG . SER A 1 36 ? -0.674 -3.264 -6.284 1.00 0.00 ? 36 SER A HG 17 ATOM 24916 N N . CYS A 1 37 ? -0.735 -0.371 -5.117 1.00 0.00 ? 37 CYS A N 17 ATOM 24917 C CA . CYS A 1 37 ? -1.546 0.729 -4.608 1.00 0.00 ? 37 CYS A CA 17 ATOM 24918 C C . CYS A 1 37 ? -0.689 1.725 -3.834 1.00 0.00 ? 37 CYS A C 17 ATOM 24919 O O . CYS A 1 37 ? -0.881 2.937 -3.937 1.00 0.00 ? 37 CYS A O 17 ATOM 24920 C CB . CYS A 1 37 ? -2.662 0.193 -3.710 1.00 0.00 ? 37 CYS A CB 17 ATOM 24921 S SG . CYS A 1 37 ? -3.938 1.411 -3.311 1.00 0.00 ? 37 CYS A SG 17 ATOM 24922 H H . CYS A 1 37 ? -1.079 -1.287 -5.057 1.00 0.00 ? 37 CYS A H 17 ATOM 24923 H HA . CYS A 1 37 ? -1.987 1.233 -5.454 1.00 0.00 ? 37 CYS A HA 17 ATOM 24924 H HB2 . CYS A 1 37 ? -3.145 -0.637 -4.205 1.00 0.00 ? 37 CYS A HB2 17 ATOM 24925 H HB3 . CYS A 1 37 ? -2.233 -0.151 -2.781 1.00 0.00 ? 37 CYS A HB3 17 ATOM 24926 H HG . CYS A 1 37 ? -5.060 1.037 -3.906 1.00 0.00 ? 37 CYS A HG 17 ATOM 24927 N N . HIS A 1 38 ? 0.258 1.206 -3.059 1.00 0.00 ? 38 HIS A N 17 ATOM 24928 C CA . HIS A 1 38 ? 1.145 2.049 -2.266 1.00 0.00 ? 38 HIS A CA 17 ATOM 24929 C C . HIS A 1 38 ? 2.070 2.862 -3.167 1.00 0.00 ? 38 HIS A C 17 ATOM 24930 O O . HIS A 1 38 ? 2.250 4.063 -2.966 1.00 0.00 ? 38 HIS A O 17 ATOM 24931 C CB . HIS A 1 38 ? 1.972 1.195 -1.305 1.00 0.00 ? 38 HIS A CB 17 ATOM 24932 C CG . HIS A 1 38 ? 1.296 0.948 0.009 1.00 0.00 ? 38 HIS A CG 17 ATOM 24933 N ND1 . HIS A 1 38 ? 0.862 1.964 0.835 1.00 0.00 ? 38 HIS A ND1 17 ATOM 24934 C CD2 . HIS A 1 38 ? 0.979 -0.207 0.638 1.00 0.00 ? 38 HIS A CD2 17 ATOM 24935 C CE1 . HIS A 1 38 ? 0.309 1.444 1.916 1.00 0.00 ? 38 HIS A CE1 17 ATOM 24936 N NE2 . HIS A 1 38 ? 0.367 0.127 1.821 1.00 0.00 ? 38 HIS A NE2 17 ATOM 24937 H H . HIS A 1 38 ? 0.362 0.232 -3.019 1.00 0.00 ? 38 HIS A H 17 ATOM 24938 H HA . HIS A 1 38 ? 0.532 2.729 -1.694 1.00 0.00 ? 38 HIS A HA 17 ATOM 24939 H HB2 . HIS A 1 38 ? 2.167 0.236 -1.762 1.00 0.00 ? 38 HIS A HB2 17 ATOM 24940 H HB3 . HIS A 1 38 ? 2.911 1.693 -1.108 1.00 0.00 ? 38 HIS A HB3 17 ATOM 24941 H HD1 . HIS A 1 38 ? 0.949 2.923 0.656 1.00 0.00 ? 38 HIS A HD1 17 ATOM 24942 H HD2 . HIS A 1 38 ? 1.172 -1.208 0.278 1.00 0.00 ? 38 HIS A HD2 17 ATOM 24943 H HE1 . HIS A 1 38 ? -0.118 1.999 2.737 1.00 0.00 ? 38 HIS A HE1 17 ATOM 24944 H HE2 . HIS A 1 38 ? 0.105 -0.501 2.526 1.00 0.00 ? 38 HIS A HE2 17 ATOM 24945 N N . ARG A 1 39 ? 2.655 2.199 -4.159 1.00 0.00 ? 39 ARG A N 17 ATOM 24946 C CA . ARG A 1 39 ? 3.562 2.859 -5.090 1.00 0.00 ? 39 ARG A CA 17 ATOM 24947 C C . ARG A 1 39 ? 2.879 4.043 -5.768 1.00 0.00 ? 39 ARG A C 17 ATOM 24948 O O . ARG A 1 39 ? 3.457 5.124 -5.883 1.00 0.00 ? 39 ARG A O 17 ATOM 24949 C CB . ARG A 1 39 ? 4.055 1.868 -6.145 1.00 0.00 ? 39 ARG A CB 17 ATOM 24950 C CG . ARG A 1 39 ? 4.862 0.715 -5.569 1.00 0.00 ? 39 ARG A CG 17 ATOM 24951 C CD . ARG A 1 39 ? 5.211 -0.309 -6.637 1.00 0.00 ? 39 ARG A CD 17 ATOM 24952 N NE . ARG A 1 39 ? 6.327 -1.161 -6.235 1.00 0.00 ? 39 ARG A NE 17 ATOM 24953 C CZ . ARG A 1 39 ? 7.002 -1.935 -7.078 1.00 0.00 ? 39 ARG A CZ 17 ATOM 24954 N NH1 . ARG A 1 39 ? 6.675 -1.964 -8.362 1.00 0.00 ? 39 ARG A NH1 17 ATOM 24955 N NH2 . ARG A 1 39 ? 8.006 -2.681 -6.636 1.00 0.00 ? 39 ARG A NH2 17 ATOM 24956 H H . ARG A 1 39 ? 2.472 1.242 -4.268 1.00 0.00 ? 39 ARG A H 17 ATOM 24957 H HA . ARG A 1 39 ? 4.409 3.222 -4.526 1.00 0.00 ? 39 ARG A HA 17 ATOM 24958 H HB2 . ARG A 1 39 ? 3.201 1.456 -6.663 1.00 0.00 ? 39 ARG A HB2 17 ATOM 24959 H HB3 . ARG A 1 39 ? 4.676 2.394 -6.854 1.00 0.00 ? 39 ARG A HB3 17 ATOM 24960 H HG2 . ARG A 1 39 ? 5.776 1.104 -5.146 1.00 0.00 ? 39 ARG A HG2 17 ATOM 24961 H HG3 . ARG A 1 39 ? 4.282 0.234 -4.796 1.00 0.00 ? 39 ARG A HG3 17 ATOM 24962 H HD2 . ARG A 1 39 ? 4.345 -0.929 -6.819 1.00 0.00 ? 39 ARG A HD2 17 ATOM 24963 H HD3 . ARG A 1 39 ? 5.476 0.213 -7.544 1.00 0.00 ? 39 ARG A HD3 17 ATOM 24964 H HE . ARG A 1 39 ? 6.585 -1.155 -5.290 1.00 0.00 ? 39 ARG A HE 17 ATOM 24965 H HH11 . ARG A 1 39 ? 5.920 -1.402 -8.698 1.00 0.00 ? 39 ARG A HH11 17 ATOM 24966 H HH12 . ARG A 1 39 ? 7.186 -2.547 -8.995 1.00 0.00 ? 39 ARG A HH12 17 ATOM 24967 H HH21 . ARG A 1 39 ? 8.255 -2.662 -5.668 1.00 0.00 ? 39 ARG A HH21 17 ATOM 24968 H HH22 . ARG A 1 39 ? 8.513 -3.263 -7.271 1.00 0.00 ? 39 ARG A HH22 17 ATOM 24969 N N . LYS A 1 40 ? 1.646 3.831 -6.216 1.00 0.00 ? 40 LYS A N 17 ATOM 24970 C CA . LYS A 1 40 ? 0.883 4.879 -6.882 1.00 0.00 ? 40 LYS A CA 17 ATOM 24971 C C . LYS A 1 40 ? 0.746 6.106 -5.986 1.00 0.00 ? 40 LYS A C 17 ATOM 24972 O O . LYS A 1 40 ? 0.908 7.239 -6.440 1.00 0.00 ? 40 LYS A O 17 ATOM 24973 C CB . LYS A 1 40 ? -0.504 4.361 -7.270 1.00 0.00 ? 40 LYS A CB 17 ATOM 24974 C CG . LYS A 1 40 ? -0.509 3.530 -8.541 1.00 0.00 ? 40 LYS A CG 17 ATOM 24975 C CD . LYS A 1 40 ? -1.630 2.505 -8.533 1.00 0.00 ? 40 LYS A CD 17 ATOM 24976 C CE . LYS A 1 40 ? -1.533 1.563 -9.724 1.00 0.00 ? 40 LYS A CE 17 ATOM 24977 N NZ . LYS A 1 40 ? -2.828 0.882 -9.999 1.00 0.00 ? 40 LYS A NZ 17 ATOM 24978 H H . LYS A 1 40 ? 1.239 2.947 -6.094 1.00 0.00 ? 40 LYS A H 17 ATOM 24979 H HA . LYS A 1 40 ? 1.416 5.160 -7.777 1.00 0.00 ? 40 LYS A HA 17 ATOM 24980 H HB2 . LYS A 1 40 ? -0.885 3.751 -6.464 1.00 0.00 ? 40 LYS A HB2 17 ATOM 24981 H HB3 . LYS A 1 40 ? -1.163 5.205 -7.413 1.00 0.00 ? 40 LYS A HB3 17 ATOM 24982 H HG2 . LYS A 1 40 ? -0.642 4.187 -9.389 1.00 0.00 ? 40 LYS A HG2 17 ATOM 24983 H HG3 . LYS A 1 40 ? 0.437 3.015 -8.628 1.00 0.00 ? 40 LYS A HG3 17 ATOM 24984 H HD2 . LYS A 1 40 ? -1.570 1.925 -7.624 1.00 0.00 ? 40 LYS A HD2 17 ATOM 24985 H HD3 . LYS A 1 40 ? -2.579 3.022 -8.571 1.00 0.00 ? 40 LYS A HD3 17 ATOM 24986 H HE2 . LYS A 1 40 ? -1.244 2.132 -10.594 1.00 0.00 ? 40 LYS A HE2 17 ATOM 24987 H HE3 . LYS A 1 40 ? -0.780 0.817 -9.515 1.00 0.00 ? 40 LYS A HE3 17 ATOM 24988 H HZ1 . LYS A 1 40 ? -3.599 1.362 -9.492 1.00 0.00 ? 40 LYS A HZ1 17 ATOM 24989 H HZ2 . LYS A 1 40 ? -2.785 -0.108 -9.683 1.00 0.00 ? 40 LYS A HZ2 17 ATOM 24990 H HZ3 . LYS A 1 40 ? -3.032 0.900 -11.018 1.00 0.00 ? 40 LYS A HZ3 17 ATOM 24991 N N . ALA A 1 41 ? 0.450 5.873 -4.712 1.00 0.00 ? 41 ALA A N 17 ATOM 24992 C CA . ALA A 1 41 ? 0.295 6.959 -3.752 1.00 0.00 ? 41 ALA A CA 17 ATOM 24993 C C . ALA A 1 41 ? 1.586 7.760 -3.618 1.00 0.00 ? 41 ALA A C 17 ATOM 24994 O O . ALA A 1 41 ? 1.604 8.970 -3.846 1.00 0.00 ? 41 ALA A O 17 ATOM 24995 C CB . ALA A 1 41 ? -0.131 6.410 -2.398 1.00 0.00 ? 41 ALA A CB 17 ATOM 24996 H H . ALA A 1 41 ? 0.333 4.948 -4.410 1.00 0.00 ? 41 ALA A H 17 ATOM 24997 H HA . ALA A 1 41 ? -0.487 7.612 -4.110 1.00 0.00 ? 41 ALA A HA 17 ATOM 24998 H HB1 . ALA A 1 41 ? -0.582 7.200 -1.816 1.00 0.00 ? 41 ALA A HB1 17 ATOM 24999 H HB2 . ALA A 1 41 ? -0.846 5.614 -2.542 1.00 0.00 ? 41 ALA A HB2 17 ATOM 25000 H HB3 . ALA A 1 41 ? 0.734 6.027 -1.877 1.00 0.00 ? 41 ALA A HB3 17 ATOM 25001 N N . THR A 1 42 ? 2.665 7.078 -3.245 1.00 0.00 ? 42 THR A N 17 ATOM 25002 C CA . THR A 1 42 ? 3.959 7.727 -3.078 1.00 0.00 ? 42 THR A CA 17 ATOM 25003 C C . THR A 1 42 ? 4.313 8.570 -4.298 1.00 0.00 ? 42 THR A C 17 ATOM 25004 O O . THR A 1 42 ? 4.518 9.779 -4.193 1.00 0.00 ? 42 THR A O 17 ATOM 25005 C CB . THR A 1 42 ? 5.078 6.696 -2.839 1.00 0.00 ? 42 THR A CB 17 ATOM 25006 O OG1 . THR A 1 42 ? 5.027 5.676 -3.842 1.00 0.00 ? 42 THR A OG1 17 ATOM 25007 C CG2 . THR A 1 42 ? 4.946 6.065 -1.460 1.00 0.00 ? 42 THR A CG2 17 ATOM 25008 H H . THR A 1 42 ? 2.586 6.116 -3.078 1.00 0.00 ? 42 THR A H 17 ATOM 25009 H HA . THR A 1 42 ? 3.900 8.371 -2.213 1.00 0.00 ? 42 THR A HA 17 ATOM 25010 H HB . THR A 1 42 ? 6.031 7.201 -2.898 1.00 0.00 ? 42 THR A HB 17 ATOM 25011 H HG1 . THR A 1 42 ? 5.453 4.881 -3.512 1.00 0.00 ? 42 THR A HG1 17 ATOM 25012 H HG21 . THR A 1 42 ? 5.144 5.006 -1.529 1.00 0.00 ? 42 THR A HG21 17 ATOM 25013 H HG22 . THR A 1 42 ? 3.945 6.222 -1.087 1.00 0.00 ? 42 THR A HG22 17 ATOM 25014 H HG23 . THR A 1 42 ? 5.657 6.521 -0.788 1.00 0.00 ? 42 THR A HG23 17 ATOM 25015 N N . THR A 1 43 ? 4.383 7.923 -5.458 1.00 0.00 ? 43 THR A N 17 ATOM 25016 C CA . THR A 1 43 ? 4.712 8.613 -6.699 1.00 0.00 ? 43 THR A CA 17 ATOM 25017 C C . THR A 1 43 ? 3.888 9.886 -6.856 1.00 0.00 ? 43 THR A C 17 ATOM 25018 O O . THR A 1 43 ? 4.391 10.909 -7.322 1.00 0.00 ? 43 THR A O 17 ATOM 25019 C CB . THR A 1 43 ? 4.478 7.709 -7.924 1.00 0.00 ? 43 THR A CB 17 ATOM 25020 O OG1 . THR A 1 43 ? 5.153 6.458 -7.746 1.00 0.00 ? 43 THR A OG1 17 ATOM 25021 C CG2 . THR A 1 43 ? 4.973 8.381 -9.195 1.00 0.00 ? 43 THR A CG2 17 ATOM 25022 H H . THR A 1 43 ? 4.209 6.959 -5.478 1.00 0.00 ? 43 THR A H 17 ATOM 25023 H HA . THR A 1 43 ? 5.760 8.875 -6.666 1.00 0.00 ? 43 THR A HA 17 ATOM 25024 H HB . THR A 1 43 ? 3.417 7.526 -8.020 1.00 0.00 ? 43 THR A HB 17 ATOM 25025 H HG1 . THR A 1 43 ? 4.735 5.968 -7.033 1.00 0.00 ? 43 THR A HG1 17 ATOM 25026 H HG21 . THR A 1 43 ? 4.510 7.915 -10.053 1.00 0.00 ? 43 THR A HG21 17 ATOM 25027 H HG22 . THR A 1 43 ? 6.045 8.277 -9.264 1.00 0.00 ? 43 THR A HG22 17 ATOM 25028 H HG23 . THR A 1 43 ? 4.713 9.429 -9.172 1.00 0.00 ? 43 THR A HG23 17 ATOM 25029 N N . TYR A 1 44 ? 2.621 9.816 -6.464 1.00 0.00 ? 44 TYR A N 17 ATOM 25030 C CA . TYR A 1 44 ? 1.726 10.963 -6.564 1.00 0.00 ? 44 TYR A CA 17 ATOM 25031 C C . TYR A 1 44 ? 2.177 12.088 -5.636 1.00 0.00 ? 44 TYR A C 17 ATOM 25032 O O . TYR A 1 44 ? 2.450 13.203 -6.080 1.00 0.00 ? 44 TYR A O 17 ATOM 25033 C CB . TYR A 1 44 ? 0.293 10.550 -6.224 1.00 0.00 ? 44 TYR A CB 17 ATOM 25034 C CG . TYR A 1 44 ? -0.686 11.702 -6.226 1.00 0.00 ? 44 TYR A CG 17 ATOM 25035 C CD1 . TYR A 1 44 ? -0.704 12.622 -7.268 1.00 0.00 ? 44 TYR A CD1 17 ATOM 25036 C CD2 . TYR A 1 44 ? -1.592 11.872 -5.187 1.00 0.00 ? 44 TYR A CD2 17 ATOM 25037 C CE1 . TYR A 1 44 ? -1.597 13.676 -7.274 1.00 0.00 ? 44 TYR A CE1 17 ATOM 25038 C CE2 . TYR A 1 44 ? -2.489 12.923 -5.185 1.00 0.00 ? 44 TYR A CE2 17 ATOM 25039 C CZ . TYR A 1 44 ? -2.487 13.822 -6.231 1.00 0.00 ? 44 TYR A CZ 17 ATOM 25040 O OH . TYR A 1 44 ? -3.378 14.871 -6.232 1.00 0.00 ? 44 TYR A OH 17 ATOM 25041 H H . TYR A 1 44 ? 2.278 8.973 -6.101 1.00 0.00 ? 44 TYR A H 17 ATOM 25042 H HA . TYR A 1 44 ? 1.755 11.320 -7.583 1.00 0.00 ? 44 TYR A HA 17 ATOM 25043 H HB2 . TYR A 1 44 ? -0.047 9.826 -6.948 1.00 0.00 ? 44 TYR A HB2 17 ATOM 25044 H HB3 . TYR A 1 44 ? 0.278 10.104 -5.240 1.00 0.00 ? 44 TYR A HB3 17 ATOM 25045 H HD1 . TYR A 1 44 ? -0.006 12.505 -8.084 1.00 0.00 ? 44 TYR A HD1 17 ATOM 25046 H HD2 . TYR A 1 44 ? -1.590 11.166 -4.369 1.00 0.00 ? 44 TYR A HD2 17 ATOM 25047 H HE1 . TYR A 1 44 ? -1.596 14.381 -8.093 1.00 0.00 ? 44 TYR A HE1 17 ATOM 25048 H HE2 . TYR A 1 44 ? -3.186 13.038 -4.368 1.00 0.00 ? 44 TYR A HE2 17 ATOM 25049 H HH . TYR A 1 44 ? -2.910 15.688 -6.043 1.00 0.00 ? 44 TYR A HH 17 ATOM 25050 N N . LEU A 1 45 ? 2.252 11.785 -4.345 1.00 0.00 ? 45 LEU A N 17 ATOM 25051 C CA . LEU A 1 45 ? 2.671 12.769 -3.352 1.00 0.00 ? 45 LEU A CA 17 ATOM 25052 C C . LEU A 1 45 ? 3.921 13.511 -3.813 1.00 0.00 ? 45 LEU A C 17 ATOM 25053 O O . LEU A 1 45 ? 3.987 14.738 -3.746 1.00 0.00 ? 45 LEU A O 17 ATOM 25054 C CB . LEU A 1 45 ? 2.936 12.086 -2.009 1.00 0.00 ? 45 LEU A CB 17 ATOM 25055 C CG . LEU A 1 45 ? 1.774 11.282 -1.424 1.00 0.00 ? 45 LEU A CG 17 ATOM 25056 C CD1 . LEU A 1 45 ? 2.243 10.451 -0.240 1.00 0.00 ? 45 LEU A CD1 17 ATOM 25057 C CD2 . LEU A 1 45 ? 0.639 12.208 -1.012 1.00 0.00 ? 45 LEU A CD2 17 ATOM 25058 H H . LEU A 1 45 ? 2.022 10.880 -4.051 1.00 0.00 ? 45 LEU A H 17 ATOM 25059 H HA . LEU A 1 45 ? 1.868 13.481 -3.232 1.00 0.00 ? 45 LEU A HA 17 ATOM 25060 H HB2 . LEU A 1 45 ? 3.770 11.414 -2.139 1.00 0.00 ? 45 LEU A HB2 17 ATOM 25061 H HB3 . LEU A 1 45 ? 3.201 12.853 -1.295 1.00 0.00 ? 45 LEU A HB3 17 ATOM 25062 H HG . LEU A 1 45 ? 1.398 10.605 -2.178 1.00 0.00 ? 45 LEU A HG 17 ATOM 25063 H HD11 . LEU A 1 45 ? 3.311 10.302 -0.305 1.00 0.00 ? 45 LEU A HD11 17 ATOM 25064 H HD12 . LEU A 1 45 ? 1.745 9.493 -0.252 1.00 0.00 ? 45 LEU A HD12 17 ATOM 25065 H HD13 . LEU A 1 45 ? 2.006 10.967 0.679 1.00 0.00 ? 45 LEU A HD13 17 ATOM 25066 H HD21 . LEU A 1 45 ? 0.590 12.258 0.066 1.00 0.00 ? 45 LEU A HD21 17 ATOM 25067 H HD22 . LEU A 1 45 ? -0.295 11.825 -1.397 1.00 0.00 ? 45 LEU A HD22 17 ATOM 25068 H HD23 . LEU A 1 45 ? 0.817 13.195 -1.411 1.00 0.00 ? 45 LEU A HD23 17 ATOM 25069 N N . SER A 1 46 ? 4.910 12.758 -4.285 1.00 0.00 ? 46 SER A N 17 ATOM 25070 C CA . SER A 1 46 ? 6.159 13.344 -4.757 1.00 0.00 ? 46 SER A CA 17 ATOM 25071 C C . SER A 1 46 ? 5.903 14.314 -5.906 1.00 0.00 ? 46 SER A C 17 ATOM 25072 O O . SER A 1 46 ? 6.429 15.427 -5.921 1.00 0.00 ? 46 SER A O 17 ATOM 25073 C CB . SER A 1 46 ? 7.124 12.246 -5.206 1.00 0.00 ? 46 SER A CB 17 ATOM 25074 O OG . SER A 1 46 ? 8.472 12.656 -5.048 1.00 0.00 ? 46 SER A OG 17 ATOM 25075 H H . SER A 1 46 ? 4.797 11.785 -4.313 1.00 0.00 ? 46 SER A H 17 ATOM 25076 H HA . SER A 1 46 ? 6.601 13.887 -3.935 1.00 0.00 ? 46 SER A HA 17 ATOM 25077 H HB2 . SER A 1 46 ? 6.958 11.360 -4.613 1.00 0.00 ? 46 SER A HB2 17 ATOM 25078 H HB3 . SER A 1 46 ? 6.949 12.020 -6.248 1.00 0.00 ? 46 SER A HB3 17 ATOM 25079 H HG . SER A 1 46 ? 8.617 12.936 -4.141 1.00 0.00 ? 46 SER A HG 17 ATOM 25080 N N . GLU A 1 47 ? 5.093 13.882 -6.867 1.00 0.00 ? 47 GLU A N 17 ATOM 25081 C CA . GLU A 1 47 ? 4.768 14.712 -8.022 1.00 0.00 ? 47 GLU A CA 17 ATOM 25082 C C . GLU A 1 47 ? 4.286 16.091 -7.582 1.00 0.00 ? 47 GLU A C 17 ATOM 25083 O O . GLU A 1 47 ? 4.512 17.087 -8.269 1.00 0.00 ? 47 GLU A O 17 ATOM 25084 C CB . GLU A 1 47 ? 3.697 14.035 -8.880 1.00 0.00 ? 47 GLU A CB 17 ATOM 25085 C CG . GLU A 1 47 ? 4.265 13.127 -9.958 1.00 0.00 ? 47 GLU A CG 17 ATOM 25086 C CD . GLU A 1 47 ? 4.889 13.900 -11.103 1.00 0.00 ? 47 GLU A CD 17 ATOM 25087 O OE1 . GLU A 1 47 ? 4.138 14.566 -11.847 1.00 0.00 ? 47 GLU A OE1 17 ATOM 25088 O OE2 . GLU A 1 47 ? 6.126 13.840 -11.256 1.00 0.00 ? 47 GLU A OE2 17 ATOM 25089 H H . GLU A 1 47 ? 4.705 12.985 -6.799 1.00 0.00 ? 47 GLU A H 17 ATOM 25090 H HA . GLU A 1 47 ? 5.666 14.828 -8.610 1.00 0.00 ? 47 GLU A HA 17 ATOM 25091 H HB2 . GLU A 1 47 ? 3.060 13.444 -8.238 1.00 0.00 ? 47 GLU A HB2 17 ATOM 25092 H HB3 . GLU A 1 47 ? 3.102 14.798 -9.358 1.00 0.00 ? 47 GLU A HB3 17 ATOM 25093 H HG2 . GLU A 1 47 ? 5.021 12.495 -9.517 1.00 0.00 ? 47 GLU A HG2 17 ATOM 25094 H HG3 . GLU A 1 47 ? 3.468 12.512 -10.349 1.00 0.00 ? 47 GLU A HG3 17 ATOM 25095 N N . ALA A 1 48 ? 3.620 16.141 -6.433 1.00 0.00 ? 48 ALA A N 17 ATOM 25096 C CA . ALA A 1 48 ? 3.108 17.397 -5.901 1.00 0.00 ? 48 ALA A CA 17 ATOM 25097 C C . ALA A 1 48 ? 4.160 18.105 -5.055 1.00 0.00 ? 48 ALA A C 17 ATOM 25098 O O . ALA A 1 48 ? 4.335 19.319 -5.153 1.00 0.00 ? 48 ALA A O 17 ATOM 25099 C CB . ALA A 1 48 ? 1.849 17.149 -5.082 1.00 0.00 ? 48 ALA A CB 17 ATOM 25100 H H . ALA A 1 48 ? 3.472 15.313 -5.931 1.00 0.00 ? 48 ALA A H 17 ATOM 25101 H HA . ALA A 1 48 ? 2.845 18.031 -6.736 1.00 0.00 ? 48 ALA A HA 17 ATOM 25102 H HB1 . ALA A 1 48 ? 2.125 16.866 -4.077 1.00 0.00 ? 48 ALA A HB1 17 ATOM 25103 H HB2 . ALA A 1 48 ? 1.255 18.050 -5.053 1.00 0.00 ? 48 ALA A HB2 17 ATOM 25104 H HB3 . ALA A 1 48 ? 1.276 16.354 -5.536 1.00 0.00 ? 48 ALA A HB3 17 ATOM 25105 N N . MET A 1 49 ? 4.858 17.338 -4.224 1.00 0.00 ? 49 MET A N 17 ATOM 25106 C CA . MET A 1 49 ? 5.894 17.893 -3.360 1.00 0.00 ? 49 MET A CA 17 ATOM 25107 C C . MET A 1 49 ? 6.973 18.590 -4.184 1.00 0.00 ? 49 MET A C 17 ATOM 25108 O O . MET A 1 49 ? 7.260 19.769 -3.979 1.00 0.00 ? 49 MET A O 17 ATOM 25109 C CB . MET A 1 49 ? 6.522 16.790 -2.506 1.00 0.00 ? 49 MET A CB 17 ATOM 25110 C CG . MET A 1 49 ? 7.984 17.037 -2.173 1.00 0.00 ? 49 MET A CG 17 ATOM 25111 S SD . MET A 1 49 ? 8.744 15.648 -1.310 1.00 0.00 ? 49 MET A SD 17 ATOM 25112 C CE . MET A 1 49 ? 7.383 15.102 -0.283 1.00 0.00 ? 49 MET A CE 17 ATOM 25113 H H . MET A 1 49 ? 4.674 16.376 -4.190 1.00 0.00 ? 49 MET A H 17 ATOM 25114 H HA . MET A 1 49 ? 5.430 18.619 -2.710 1.00 0.00 ? 49 MET A HA 17 ATOM 25115 H HB2 . MET A 1 49 ? 5.972 16.711 -1.581 1.00 0.00 ? 49 MET A HB2 17 ATOM 25116 H HB3 . MET A 1 49 ? 6.451 15.854 -3.039 1.00 0.00 ? 49 MET A HB3 17 ATOM 25117 H HG2 . MET A 1 49 ? 8.525 17.211 -3.091 1.00 0.00 ? 49 MET A HG2 17 ATOM 25118 H HG3 . MET A 1 49 ? 8.052 17.914 -1.546 1.00 0.00 ? 49 MET A HG3 17 ATOM 25119 H HE1 . MET A 1 49 ? 6.515 14.924 -0.900 1.00 0.00 ? 49 MET A HE1 17 ATOM 25120 H HE2 . MET A 1 49 ? 7.658 14.188 0.223 1.00 0.00 ? 49 MET A HE2 17 ATOM 25121 H HE3 . MET A 1 49 ? 7.155 15.864 0.448 1.00 0.00 ? 49 MET A HE3 17 ATOM 25122 N N . LYS A 1 50 ? 7.567 17.853 -5.117 1.00 0.00 ? 50 LYS A N 17 ATOM 25123 C CA . LYS A 1 50 ? 8.613 18.400 -5.973 1.00 0.00 ? 50 LYS A CA 17 ATOM 25124 C C . LYS A 1 50 ? 8.149 19.689 -6.644 1.00 0.00 ? 50 LYS A C 17 ATOM 25125 O O . LYS A 1 50 ? 8.960 20.462 -7.154 1.00 0.00 ? 50 LYS A O 17 ATOM 25126 C CB . LYS A 1 50 ? 9.017 17.376 -7.037 1.00 0.00 ? 50 LYS A CB 17 ATOM 25127 C CG . LYS A 1 50 ? 10.050 16.373 -6.554 1.00 0.00 ? 50 LYS A CG 17 ATOM 25128 C CD . LYS A 1 50 ? 10.193 15.210 -7.521 1.00 0.00 ? 50 LYS A CD 17 ATOM 25129 C CE . LYS A 1 50 ? 10.679 15.676 -8.885 1.00 0.00 ? 50 LYS A CE 17 ATOM 25130 N NZ . LYS A 1 50 ? 11.227 14.550 -9.692 1.00 0.00 ? 50 LYS A NZ 17 ATOM 25131 H H . LYS A 1 50 ? 7.294 16.919 -5.233 1.00 0.00 ? 50 LYS A H 17 ATOM 25132 H HA . LYS A 1 50 ? 9.468 18.619 -5.353 1.00 0.00 ? 50 LYS A HA 17 ATOM 25133 H HB2 . LYS A 1 50 ? 8.137 16.833 -7.349 1.00 0.00 ? 50 LYS A HB2 17 ATOM 25134 H HB3 . LYS A 1 50 ? 9.426 17.902 -7.888 1.00 0.00 ? 50 LYS A HB3 17 ATOM 25135 H HG2 . LYS A 1 50 ? 11.005 16.870 -6.461 1.00 0.00 ? 50 LYS A HG2 17 ATOM 25136 H HG3 . LYS A 1 50 ? 9.745 15.993 -5.589 1.00 0.00 ? 50 LYS A HG3 17 ATOM 25137 H HD2 . LYS A 1 50 ? 10.904 14.504 -7.119 1.00 0.00 ? 50 LYS A HD2 17 ATOM 25138 H HD3 . LYS A 1 50 ? 9.232 14.729 -7.636 1.00 0.00 ? 50 LYS A HD3 17 ATOM 25139 H HE2 . LYS A 1 50 ? 9.851 16.119 -9.416 1.00 0.00 ? 50 LYS A HE2 17 ATOM 25140 H HE3 . LYS A 1 50 ? 11.453 16.416 -8.743 1.00 0.00 ? 50 LYS A HE3 17 ATOM 25141 H HZ1 . LYS A 1 50 ? 11.306 14.832 -10.690 1.00 0.00 ? 50 LYS A HZ1 17 ATOM 25142 H HZ2 . LYS A 1 50 ? 10.599 13.724 -9.625 1.00 0.00 ? 50 LYS A HZ2 17 ATOM 25143 H HZ3 . LYS A 1 50 ? 12.170 14.285 -9.342 1.00 0.00 ? 50 LYS A HZ3 17 ATOM 25144 N N . LEU A 1 51 ? 6.840 19.915 -6.638 1.00 0.00 ? 51 LEU A N 17 ATOM 25145 C CA . LEU A 1 51 ? 6.267 21.112 -7.245 1.00 0.00 ? 51 LEU A CA 17 ATOM 25146 C C . LEU A 1 51 ? 6.068 22.209 -6.203 1.00 0.00 ? 51 LEU A C 17 ATOM 25147 O O . LEU A 1 51 ? 6.669 23.281 -6.291 1.00 0.00 ? 51 LEU A O 17 ATOM 25148 C CB . LEU A 1 51 ? 4.933 20.781 -7.914 1.00 0.00 ? 51 LEU A CB 17 ATOM 25149 C CG . LEU A 1 51 ? 4.543 21.657 -9.105 1.00 0.00 ? 51 LEU A CG 17 ATOM 25150 C CD1 . LEU A 1 51 ? 5.574 21.537 -10.216 1.00 0.00 ? 51 LEU A CD1 17 ATOM 25151 C CD2 . LEU A 1 51 ? 3.160 21.279 -9.616 1.00 0.00 ? 51 LEU A CD2 17 ATOM 25152 H H . LEU A 1 51 ? 6.243 19.263 -6.216 1.00 0.00 ? 51 LEU A H 17 ATOM 25153 H HA . LEU A 1 51 ? 6.959 21.466 -7.995 1.00 0.00 ? 51 LEU A HA 17 ATOM 25154 H HB2 . LEU A 1 51 ? 4.980 19.759 -8.257 1.00 0.00 ? 51 LEU A HB2 17 ATOM 25155 H HB3 . LEU A 1 51 ? 4.157 20.872 -7.167 1.00 0.00 ? 51 LEU A HB3 17 ATOM 25156 H HG . LEU A 1 51 ? 4.513 22.691 -8.789 1.00 0.00 ? 51 LEU A HG 17 ATOM 25157 H HD11 . LEU A 1 51 ? 5.131 21.837 -11.153 1.00 0.00 ? 51 LEU A HD11 17 ATOM 25158 H HD12 . LEU A 1 51 ? 5.908 20.512 -10.288 1.00 0.00 ? 51 LEU A HD12 17 ATOM 25159 H HD13 . LEU A 1 51 ? 6.417 22.175 -9.995 1.00 0.00 ? 51 LEU A HD13 17 ATOM 25160 H HD21 . LEU A 1 51 ? 2.839 20.364 -9.139 1.00 0.00 ? 51 LEU A HD21 17 ATOM 25161 H HD22 . LEU A 1 51 ? 3.199 21.132 -10.685 1.00 0.00 ? 51 LEU A HD22 17 ATOM 25162 H HD23 . LEU A 1 51 ? 2.462 22.070 -9.385 1.00 0.00 ? 51 LEU A HD23 17 ATOM 25163 N N . THR A 1 52 ? 5.223 21.933 -5.215 1.00 0.00 ? 52 THR A N 17 ATOM 25164 C CA . THR A 1 52 ? 4.945 22.894 -4.156 1.00 0.00 ? 52 THR A CA 17 ATOM 25165 C C . THR A 1 52 ? 6.233 23.368 -3.492 1.00 0.00 ? 52 THR A C 17 ATOM 25166 O O . THR A 1 52 ? 7.175 22.595 -3.323 1.00 0.00 ? 52 THR A O 17 ATOM 25167 C CB . THR A 1 52 ? 4.017 22.295 -3.082 1.00 0.00 ? 52 THR A CB 17 ATOM 25168 O OG1 . THR A 1 52 ? 3.289 23.339 -2.425 1.00 0.00 ? 52 THR A OG1 17 ATOM 25169 C CG2 . THR A 1 52 ? 4.816 21.505 -2.057 1.00 0.00 ? 52 THR A CG2 17 ATOM 25170 H H . THR A 1 52 ? 4.775 21.061 -5.200 1.00 0.00 ? 52 THR A H 17 ATOM 25171 H HA . THR A 1 52 ? 4.446 23.744 -4.599 1.00 0.00 ? 52 THR A HA 17 ATOM 25172 H HB . THR A 1 52 ? 3.318 21.627 -3.564 1.00 0.00 ? 52 THR A HB 17 ATOM 25173 H HG1 . THR A 1 52 ? 2.981 23.026 -1.572 1.00 0.00 ? 52 THR A HG1 17 ATOM 25174 H HG21 . THR A 1 52 ? 4.171 20.786 -1.574 1.00 0.00 ? 52 THR A HG21 17 ATOM 25175 H HG22 . THR A 1 52 ? 5.221 22.180 -1.318 1.00 0.00 ? 52 THR A HG22 17 ATOM 25176 H HG23 . THR A 1 52 ? 5.623 20.987 -2.552 1.00 0.00 ? 52 THR A HG23 17 ATOM 25177 N N . GLU A 1 53 ? 6.266 24.643 -3.116 1.00 0.00 ? 53 GLU A N 17 ATOM 25178 C CA . GLU A 1 53 ? 7.440 25.218 -2.470 1.00 0.00 ? 53 GLU A CA 17 ATOM 25179 C C . GLU A 1 53 ? 7.172 25.481 -0.991 1.00 0.00 ? 53 GLU A C 17 ATOM 25180 O O . GLU A 1 53 ? 8.082 25.417 -0.164 1.00 0.00 ? 53 GLU A O 17 ATOM 25181 C CB . GLU A 1 53 ? 7.846 26.519 -3.166 1.00 0.00 ? 53 GLU A CB 17 ATOM 25182 C CG . GLU A 1 53 ? 7.002 27.716 -2.759 1.00 0.00 ? 53 GLU A CG 17 ATOM 25183 C CD . GLU A 1 53 ? 7.636 29.036 -3.151 1.00 0.00 ? 53 GLU A CD 17 ATOM 25184 O OE1 . GLU A 1 53 ? 7.888 29.238 -4.358 1.00 0.00 ? 53 GLU A OE1 17 ATOM 25185 O OE2 . GLU A 1 53 ? 7.880 29.868 -2.253 1.00 0.00 ? 53 GLU A OE2 17 ATOM 25186 H H . GLU A 1 53 ? 5.483 25.210 -3.278 1.00 0.00 ? 53 GLU A H 17 ATOM 25187 H HA . GLU A 1 53 ? 8.247 24.507 -2.557 1.00 0.00 ? 53 GLU A HA 17 ATOM 25188 H HB2 . GLU A 1 53 ? 8.877 26.734 -2.928 1.00 0.00 ? 53 GLU A HB2 17 ATOM 25189 H HB3 . GLU A 1 53 ? 7.753 26.386 -4.234 1.00 0.00 ? 53 GLU A HB3 17 ATOM 25190 H HG2 . GLU A 1 53 ? 6.038 27.640 -3.239 1.00 0.00 ? 53 GLU A HG2 17 ATOM 25191 H HG3 . GLU A 1 53 ? 6.871 27.700 -1.687 1.00 0.00 ? 53 GLU A HG3 17 ATOM 25192 N N . SER A 1 54 ? 5.918 25.779 -0.666 1.00 0.00 ? 54 SER A N 17 ATOM 25193 C CA . SER A 1 54 ? 5.531 26.056 0.712 1.00 0.00 ? 54 SER A CA 17 ATOM 25194 C C . SER A 1 54 ? 6.126 25.022 1.662 1.00 0.00 ? 54 SER A C 17 ATOM 25195 O O . SER A 1 54 ? 6.546 23.945 1.240 1.00 0.00 ? 54 SER A O 17 ATOM 25196 C CB . SER A 1 54 ? 4.007 26.068 0.843 1.00 0.00 ? 54 SER A CB 17 ATOM 25197 O OG . SER A 1 54 ? 3.458 27.260 0.308 1.00 0.00 ? 54 SER A OG 17 ATOM 25198 H H . SER A 1 54 ? 5.238 25.814 -1.371 1.00 0.00 ? 54 SER A H 17 ATOM 25199 H HA . SER A 1 54 ? 5.914 27.031 0.974 1.00 0.00 ? 54 SER A HA 17 ATOM 25200 H HB2 . SER A 1 54 ? 3.595 25.226 0.309 1.00 0.00 ? 54 SER A HB2 17 ATOM 25201 H HB3 . SER A 1 54 ? 3.738 25.999 1.887 1.00 0.00 ? 54 SER A HB3 17 ATOM 25202 H HG . SER A 1 54 ? 2.501 27.192 0.289 1.00 0.00 ? 54 SER A HG 17 ATOM 25203 N N . GLU A 1 55 ? 6.159 25.358 2.948 1.00 0.00 ? 55 GLU A N 17 ATOM 25204 C CA . GLU A 1 55 ? 6.704 24.459 3.959 1.00 0.00 ? 55 GLU A CA 17 ATOM 25205 C C . GLU A 1 55 ? 5.659 23.438 4.399 1.00 0.00 ? 55 GLU A C 17 ATOM 25206 O O . GLU A 1 55 ? 5.816 22.239 4.175 1.00 0.00 ? 55 GLU A O 17 ATOM 25207 C CB . GLU A 1 55 ? 7.197 25.255 5.169 1.00 0.00 ? 55 GLU A CB 17 ATOM 25208 C CG . GLU A 1 55 ? 8.343 24.588 5.910 1.00 0.00 ? 55 GLU A CG 17 ATOM 25209 C CD . GLU A 1 55 ? 8.915 25.463 7.009 1.00 0.00 ? 55 GLU A CD 17 ATOM 25210 O OE1 . GLU A 1 55 ? 9.775 26.316 6.702 1.00 0.00 ? 55 GLU A OE1 17 ATOM 25211 O OE2 . GLU A 1 55 ? 8.502 25.296 8.175 1.00 0.00 ? 55 GLU A OE2 17 ATOM 25212 H H . GLU A 1 55 ? 5.810 26.232 3.223 1.00 0.00 ? 55 GLU A H 17 ATOM 25213 H HA . GLU A 1 55 ? 7.539 23.935 3.520 1.00 0.00 ? 55 GLU A HA 17 ATOM 25214 H HB2 . GLU A 1 55 ? 7.528 26.228 4.835 1.00 0.00 ? 55 GLU A HB2 17 ATOM 25215 H HB3 . GLU A 1 55 ? 6.376 25.382 5.859 1.00 0.00 ? 55 GLU A HB3 17 ATOM 25216 H HG2 . GLU A 1 55 ? 7.984 23.671 6.352 1.00 0.00 ? 55 GLU A HG2 17 ATOM 25217 H HG3 . GLU A 1 55 ? 9.129 24.363 5.204 1.00 0.00 ? 55 GLU A HG3 17 ATOM 25218 N N . GLN A 1 56 ? 4.593 23.925 5.026 1.00 0.00 ? 56 GLN A N 17 ATOM 25219 C CA . GLN A 1 56 ? 3.522 23.055 5.499 1.00 0.00 ? 56 GLN A CA 17 ATOM 25220 C C . GLN A 1 56 ? 3.181 21.996 4.456 1.00 0.00 ? 56 GLN A C 17 ATOM 25221 O O . GLN A 1 56 ? 3.248 20.798 4.729 1.00 0.00 ? 56 GLN A O 17 ATOM 25222 C CB . GLN A 1 56 ? 2.277 23.878 5.834 1.00 0.00 ? 56 GLN A CB 17 ATOM 25223 C CG . GLN A 1 56 ? 2.410 24.690 7.112 1.00 0.00 ? 56 GLN A CG 17 ATOM 25224 C CD . GLN A 1 56 ? 2.119 23.872 8.355 1.00 0.00 ? 56 GLN A CD 17 ATOM 25225 O OE1 . GLN A 1 56 ? 0.965 23.562 8.653 1.00 0.00 ? 56 GLN A OE1 17 ATOM 25226 N NE2 . GLN A 1 56 ? 3.167 23.517 9.090 1.00 0.00 ? 56 GLN A NE2 17 ATOM 25227 H H . GLN A 1 56 ? 4.525 24.890 5.175 1.00 0.00 ? 56 GLN A H 17 ATOM 25228 H HA . GLN A 1 56 ? 3.868 22.561 6.395 1.00 0.00 ? 56 GLN A HA 17 ATOM 25229 H HB2 . GLN A 1 56 ? 2.081 24.559 5.019 1.00 0.00 ? 56 GLN A HB2 17 ATOM 25230 H HB3 . GLN A 1 56 ? 1.437 23.209 5.944 1.00 0.00 ? 56 GLN A HB3 17 ATOM 25231 H HG2 . GLN A 1 56 ? 3.419 25.070 7.179 1.00 0.00 ? 56 GLN A HG2 17 ATOM 25232 H HG3 . GLN A 1 56 ? 1.716 25.516 7.072 1.00 0.00 ? 56 GLN A HG3 17 ATOM 25233 H HE21 . GLN A 1 56 ? 4.058 23.800 8.792 1.00 0.00 ? 56 GLN A HE21 17 ATOM 25234 H HE22 . GLN A 1 56 ? 3.008 22.989 9.898 1.00 0.00 ? 56 GLN A HE22 17 ATOM 25235 N N . ALA A 1 57 ? 2.813 22.446 3.261 1.00 0.00 ? 57 ALA A N 17 ATOM 25236 C CA . ALA A 1 57 ? 2.463 21.538 2.177 1.00 0.00 ? 57 ALA A CA 17 ATOM 25237 C C . ALA A 1 57 ? 3.515 20.446 2.013 1.00 0.00 ? 57 ALA A C 17 ATOM 25238 O O . ALA A 1 57 ? 3.234 19.264 2.211 1.00 0.00 ? 57 ALA A O 17 ATOM 25239 C CB . ALA A 1 57 ? 2.292 22.309 0.876 1.00 0.00 ? 57 ALA A CB 17 ATOM 25240 H H . ALA A 1 57 ? 2.779 23.413 3.105 1.00 0.00 ? 57 ALA A H 17 ATOM 25241 H HA . ALA A 1 57 ? 1.516 21.077 2.420 1.00 0.00 ? 57 ALA A HA 17 ATOM 25242 H HB1 . ALA A 1 57 ? 2.693 23.305 0.994 1.00 0.00 ? 57 ALA A HB1 17 ATOM 25243 H HB2 . ALA A 1 57 ? 2.820 21.799 0.084 1.00 0.00 ? 57 ALA A HB2 17 ATOM 25244 H HB3 . ALA A 1 57 ? 1.243 22.369 0.629 1.00 0.00 ? 57 ALA A HB3 17 ATOM 25245 N N . HIS A 1 58 ? 4.728 20.851 1.649 1.00 0.00 ? 58 HIS A N 17 ATOM 25246 C CA . HIS A 1 58 ? 5.823 19.906 1.459 1.00 0.00 ? 58 HIS A CA 17 ATOM 25247 C C . HIS A 1 58 ? 5.911 18.932 2.629 1.00 0.00 ? 58 HIS A C 17 ATOM 25248 O O . HIS A 1 58 ? 5.983 17.717 2.436 1.00 0.00 ? 58 HIS A O 17 ATOM 25249 C CB . HIS A 1 58 ? 7.148 20.654 1.303 1.00 0.00 ? 58 HIS A CB 17 ATOM 25250 C CG . HIS A 1 58 ? 8.341 19.751 1.234 1.00 0.00 ? 58 HIS A CG 17 ATOM 25251 N ND1 . HIS A 1 58 ? 8.822 19.055 2.323 1.00 0.00 ? 58 HIS A ND1 17 ATOM 25252 C CD2 . HIS A 1 58 ? 9.150 19.430 0.198 1.00 0.00 ? 58 HIS A CD2 17 ATOM 25253 C CE1 . HIS A 1 58 ? 9.876 18.347 1.960 1.00 0.00 ? 58 HIS A CE1 17 ATOM 25254 N NE2 . HIS A 1 58 ? 10.096 18.556 0.675 1.00 0.00 ? 58 HIS A NE2 17 ATOM 25255 H H . HIS A 1 58 ? 4.891 21.806 1.506 1.00 0.00 ? 58 HIS A H 17 ATOM 25256 H HA . HIS A 1 58 ? 5.627 19.348 0.556 1.00 0.00 ? 58 HIS A HA 17 ATOM 25257 H HB2 . HIS A 1 58 ? 7.120 21.235 0.393 1.00 0.00 ? 58 HIS A HB2 17 ATOM 25258 H HB3 . HIS A 1 58 ? 7.281 21.317 2.145 1.00 0.00 ? 58 HIS A HB3 17 ATOM 25259 H HD1 . HIS A 1 58 ? 8.447 19.079 3.228 1.00 0.00 ? 58 HIS A HD1 17 ATOM 25260 H HD2 . HIS A 1 58 ? 9.068 19.793 -0.817 1.00 0.00 ? 58 HIS A HD2 17 ATOM 25261 H HE1 . HIS A 1 58 ? 10.459 17.705 2.604 1.00 0.00 ? 58 HIS A HE1 17 ATOM 25262 H HE2 . HIS A 1 58 ? 10.867 18.220 0.172 1.00 0.00 ? 58 HIS A HE2 17 ATOM 25263 N N . LEU A 1 59 ? 5.904 19.471 3.843 1.00 0.00 ? 59 LEU A N 17 ATOM 25264 C CA . LEU A 1 59 ? 5.983 18.649 5.046 1.00 0.00 ? 59 LEU A CA 17 ATOM 25265 C C . LEU A 1 59 ? 4.902 17.573 5.043 1.00 0.00 ? 59 LEU A C 17 ATOM 25266 O O . LEU A 1 59 ? 5.195 16.385 5.171 1.00 0.00 ? 59 LEU A O 17 ATOM 25267 C CB . LEU A 1 59 ? 5.845 19.523 6.294 1.00 0.00 ? 59 LEU A CB 17 ATOM 25268 C CG . LEU A 1 59 ? 7.147 20.083 6.868 1.00 0.00 ? 59 LEU A CG 17 ATOM 25269 C CD1 . LEU A 1 59 ? 8.008 20.674 5.762 1.00 0.00 ? 59 LEU A CD1 17 ATOM 25270 C CD2 . LEU A 1 59 ? 6.853 21.129 7.934 1.00 0.00 ? 59 LEU A CD2 17 ATOM 25271 H H . LEU A 1 59 ? 5.845 20.445 3.934 1.00 0.00 ? 59 LEU A H 17 ATOM 25272 H HA . LEU A 1 59 ? 6.951 18.170 5.057 1.00 0.00 ? 59 LEU A HA 17 ATOM 25273 H HB2 . LEU A 1 59 ? 5.208 20.357 6.045 1.00 0.00 ? 59 LEU A HB2 17 ATOM 25274 H HB3 . LEU A 1 59 ? 5.373 18.928 7.063 1.00 0.00 ? 59 LEU A HB3 17 ATOM 25275 H HG . LEU A 1 59 ? 7.704 19.280 7.331 1.00 0.00 ? 59 LEU A HG 17 ATOM 25276 H HD11 . LEU A 1 59 ? 7.539 21.569 5.381 1.00 0.00 ? 59 LEU A HD11 17 ATOM 25277 H HD12 . LEU A 1 59 ? 8.112 19.954 4.964 1.00 0.00 ? 59 LEU A HD12 17 ATOM 25278 H HD13 . LEU A 1 59 ? 8.983 20.918 6.157 1.00 0.00 ? 59 LEU A HD13 17 ATOM 25279 H HD21 . LEU A 1 59 ? 6.071 21.787 7.586 1.00 0.00 ? 59 LEU A HD21 17 ATOM 25280 H HD22 . LEU A 1 59 ? 7.747 21.704 8.130 1.00 0.00 ? 59 LEU A HD22 17 ATOM 25281 H HD23 . LEU A 1 59 ? 6.534 20.638 8.842 1.00 0.00 ? 59 LEU A HD23 17 ATOM 25282 N N . SER A 1 60 ? 3.652 17.999 4.893 1.00 0.00 ? 60 SER A N 17 ATOM 25283 C CA . SER A 1 60 ? 2.526 17.072 4.874 1.00 0.00 ? 60 SER A CA 17 ATOM 25284 C C . SER A 1 60 ? 2.806 15.896 3.942 1.00 0.00 ? 60 SER A C 17 ATOM 25285 O O . SER A 1 60 ? 2.221 14.822 4.086 1.00 0.00 ? 60 SER A O 17 ATOM 25286 C CB . SER A 1 60 ? 1.251 17.794 4.434 1.00 0.00 ? 60 SER A CB 17 ATOM 25287 O OG . SER A 1 60 ? 1.113 17.772 3.024 1.00 0.00 ? 60 SER A OG 17 ATOM 25288 H H . SER A 1 60 ? 3.482 18.959 4.795 1.00 0.00 ? 60 SER A H 17 ATOM 25289 H HA . SER A 1 60 ? 2.389 16.696 5.877 1.00 0.00 ? 60 SER A HA 17 ATOM 25290 H HB2 . SER A 1 60 ? 0.394 17.307 4.875 1.00 0.00 ? 60 SER A HB2 17 ATOM 25291 H HB3 . SER A 1 60 ? 1.291 18.822 4.764 1.00 0.00 ? 60 SER A HB3 17 ATOM 25292 H HG . SER A 1 60 ? 0.428 18.390 2.759 1.00 0.00 ? 60 SER A HG 17 ATOM 25293 N N . LEU A 1 61 ? 3.704 16.108 2.987 1.00 0.00 ? 61 LEU A N 17 ATOM 25294 C CA . LEU A 1 61 ? 4.063 15.067 2.030 1.00 0.00 ? 61 LEU A CA 17 ATOM 25295 C C . LEU A 1 61 ? 5.303 14.308 2.491 1.00 0.00 ? 61 LEU A C 17 ATOM 25296 O O . LEU A 1 61 ? 5.247 13.106 2.745 1.00 0.00 ? 61 LEU A O 17 ATOM 25297 C CB . LEU A 1 61 ? 4.309 15.678 0.649 1.00 0.00 ? 61 LEU A CB 17 ATOM 25298 C CG . LEU A 1 61 ? 3.207 16.594 0.115 1.00 0.00 ? 61 LEU A CG 17 ATOM 25299 C CD1 . LEU A 1 61 ? 3.785 17.620 -0.847 1.00 0.00 ? 61 LEU A CD1 17 ATOM 25300 C CD2 . LEU A 1 61 ? 2.118 15.777 -0.565 1.00 0.00 ? 61 LEU A CD2 17 ATOM 25301 H H . LEU A 1 61 ? 4.136 16.985 2.922 1.00 0.00 ? 61 LEU A H 17 ATOM 25302 H HA . LEU A 1 61 ? 3.236 14.376 1.966 1.00 0.00 ? 61 LEU A HA 17 ATOM 25303 H HB2 . LEU A 1 61 ? 5.220 16.254 0.700 1.00 0.00 ? 61 LEU A HB2 17 ATOM 25304 H HB3 . LEU A 1 61 ? 4.436 14.867 -0.053 1.00 0.00 ? 61 LEU A HB3 17 ATOM 25305 H HG . LEU A 1 61 ? 2.758 17.128 0.941 1.00 0.00 ? 61 LEU A HG 17 ATOM 25306 H HD11 . LEU A 1 61 ? 3.150 18.492 -0.868 1.00 0.00 ? 61 LEU A HD11 17 ATOM 25307 H HD12 . LEU A 1 61 ? 3.841 17.193 -1.838 1.00 0.00 ? 61 LEU A HD12 17 ATOM 25308 H HD13 . LEU A 1 61 ? 4.775 17.902 -0.520 1.00 0.00 ? 61 LEU A HD13 17 ATOM 25309 H HD21 . LEU A 1 61 ? 2.558 14.905 -1.027 1.00 0.00 ? 61 LEU A HD21 17 ATOM 25310 H HD22 . LEU A 1 61 ? 1.634 16.379 -1.321 1.00 0.00 ? 61 LEU A HD22 17 ATOM 25311 H HD23 . LEU A 1 61 ? 1.389 15.466 0.169 1.00 0.00 ? 61 LEU A HD23 17 ATOM 25312 N N . GLU A 1 62 ? 6.421 15.021 2.597 1.00 0.00 ? 62 GLU A N 17 ATOM 25313 C CA . GLU A 1 62 ? 7.674 14.413 3.029 1.00 0.00 ? 62 GLU A CA 17 ATOM 25314 C C . GLU A 1 62 ? 7.442 13.456 4.194 1.00 0.00 ? 62 GLU A C 17 ATOM 25315 O O . GLU A 1 62 ? 8.223 12.530 4.417 1.00 0.00 ? 62 GLU A O 17 ATOM 25316 C CB . GLU A 1 62 ? 8.677 15.495 3.436 1.00 0.00 ? 62 GLU A CB 17 ATOM 25317 C CG . GLU A 1 62 ? 8.581 15.895 4.899 1.00 0.00 ? 62 GLU A CG 17 ATOM 25318 C CD . GLU A 1 62 ? 9.591 16.960 5.281 1.00 0.00 ? 62 GLU A CD 17 ATOM 25319 O OE1 . GLU A 1 62 ? 9.480 18.093 4.768 1.00 0.00 ? 62 GLU A OE1 17 ATOM 25320 O OE2 . GLU A 1 62 ? 10.491 16.659 6.092 1.00 0.00 ? 62 GLU A OE2 17 ATOM 25321 H H . GLU A 1 62 ? 6.402 15.976 2.380 1.00 0.00 ? 62 GLU A H 17 ATOM 25322 H HA . GLU A 1 62 ? 8.077 13.857 2.197 1.00 0.00 ? 62 GLU A HA 17 ATOM 25323 H HB2 . GLU A 1 62 ? 9.676 15.132 3.248 1.00 0.00 ? 62 GLU A HB2 17 ATOM 25324 H HB3 . GLU A 1 62 ? 8.504 16.374 2.833 1.00 0.00 ? 62 GLU A HB3 17 ATOM 25325 H HG2 . GLU A 1 62 ? 7.589 16.276 5.091 1.00 0.00 ? 62 GLU A HG2 17 ATOM 25326 H HG3 . GLU A 1 62 ? 8.753 15.021 5.510 1.00 0.00 ? 62 GLU A HG3 17 ATOM 25327 N N . LEU A 1 63 ? 6.363 13.685 4.935 1.00 0.00 ? 63 LEU A N 17 ATOM 25328 C CA . LEU A 1 63 ? 6.027 12.844 6.078 1.00 0.00 ? 63 LEU A CA 17 ATOM 25329 C C . LEU A 1 63 ? 5.103 11.703 5.662 1.00 0.00 ? 63 LEU A C 17 ATOM 25330 O O . LEU A 1 63 ? 5.487 10.535 5.704 1.00 0.00 ? 63 LEU A O 17 ATOM 25331 C CB . LEU A 1 63 ? 5.362 13.679 7.174 1.00 0.00 ? 63 LEU A CB 17 ATOM 25332 C CG . LEU A 1 63 ? 6.266 14.678 7.897 1.00 0.00 ? 63 LEU A CG 17 ATOM 25333 C CD1 . LEU A 1 63 ? 5.434 15.677 8.686 1.00 0.00 ? 63 LEU A CD1 17 ATOM 25334 C CD2 . LEU A 1 63 ? 7.239 13.950 8.814 1.00 0.00 ? 63 LEU A CD2 17 ATOM 25335 H H . LEU A 1 63 ? 5.778 14.438 4.708 1.00 0.00 ? 63 LEU A H 17 ATOM 25336 H HA . LEU A 1 63 ? 6.945 12.425 6.463 1.00 0.00 ? 63 LEU A HA 17 ATOM 25337 H HB2 . LEU A 1 63 ? 4.554 14.233 6.722 1.00 0.00 ? 63 LEU A HB2 17 ATOM 25338 H HB3 . LEU A 1 63 ? 4.963 12.998 7.911 1.00 0.00 ? 63 LEU A HB3 17 ATOM 25339 H HG . LEU A 1 63 ? 6.843 15.228 7.166 1.00 0.00 ? 63 LEU A HG 17 ATOM 25340 H HD11 . LEU A 1 63 ? 5.274 15.302 9.686 1.00 0.00 ? 63 LEU A HD11 17 ATOM 25341 H HD12 . LEU A 1 63 ? 4.482 15.817 8.197 1.00 0.00 ? 63 LEU A HD12 17 ATOM 25342 H HD13 . LEU A 1 63 ? 5.956 16.622 8.734 1.00 0.00 ? 63 LEU A HD13 17 ATOM 25343 H HD21 . LEU A 1 63 ? 6.804 13.855 9.798 1.00 0.00 ? 63 LEU A HD21 17 ATOM 25344 H HD22 . LEU A 1 63 ? 8.160 14.511 8.880 1.00 0.00 ? 63 LEU A HD22 17 ATOM 25345 H HD23 . LEU A 1 63 ? 7.443 12.968 8.414 1.00 0.00 ? 63 LEU A HD23 17 ATOM 25346 N N . GLN A 1 64 ? 3.886 12.052 5.258 1.00 0.00 ? 64 GLN A N 17 ATOM 25347 C CA . GLN A 1 64 ? 2.908 11.057 4.833 1.00 0.00 ? 64 GLN A CA 17 ATOM 25348 C C . GLN A 1 64 ? 3.553 10.015 3.925 1.00 0.00 ? 64 GLN A C 17 ATOM 25349 O O . GLN A 1 64 ? 3.100 8.872 3.858 1.00 0.00 ? 64 GLN A O 17 ATOM 25350 C CB . GLN A 1 64 ? 1.744 11.733 4.107 1.00 0.00 ? 64 GLN A CB 17 ATOM 25351 C CG . GLN A 1 64 ? 0.616 10.780 3.746 1.00 0.00 ? 64 GLN A CG 17 ATOM 25352 C CD . GLN A 1 64 ? -0.734 11.468 3.690 1.00 0.00 ? 64 GLN A CD 17 ATOM 25353 O OE1 . GLN A 1 64 ? -1.483 11.313 2.725 1.00 0.00 ? 64 GLN A OE1 17 ATOM 25354 N NE2 . GLN A 1 64 ? -1.052 12.233 4.728 1.00 0.00 ? 64 GLN A NE2 17 ATOM 25355 H H . GLN A 1 64 ? 3.639 13.000 5.247 1.00 0.00 ? 64 GLN A H 17 ATOM 25356 H HA . GLN A 1 64 ? 2.532 10.564 5.716 1.00 0.00 ? 64 GLN A HA 17 ATOM 25357 H HB2 . GLN A 1 64 ? 1.342 12.509 4.741 1.00 0.00 ? 64 GLN A HB2 17 ATOM 25358 H HB3 . GLN A 1 64 ? 2.114 12.180 3.196 1.00 0.00 ? 64 GLN A HB3 17 ATOM 25359 H HG2 . GLN A 1 64 ? 0.823 10.348 2.778 1.00 0.00 ? 64 GLN A HG2 17 ATOM 25360 H HG3 . GLN A 1 64 ? 0.574 9.996 4.487 1.00 0.00 ? 64 GLN A HG3 17 ATOM 25361 H HE21 . GLN A 1 64 ? -0.405 12.310 5.461 1.00 0.00 ? 64 GLN A HE21 17 ATOM 25362 H HE22 . GLN A 1 64 ? -1.918 12.689 4.718 1.00 0.00 ? 64 GLN A HE22 17 ATOM 25363 N N . ARG A 1 65 ? 4.610 10.417 3.228 1.00 0.00 ? 65 ARG A N 17 ATOM 25364 C CA . ARG A 1 65 ? 5.316 9.518 2.323 1.00 0.00 ? 65 ARG A CA 17 ATOM 25365 C C . ARG A 1 65 ? 6.052 8.431 3.101 1.00 0.00 ? 65 ARG A C 17 ATOM 25366 O O . ARG A 1 65 ? 5.926 7.244 2.799 1.00 0.00 ? 65 ARG A O 17 ATOM 25367 C CB . ARG A 1 65 ? 6.306 10.302 1.460 1.00 0.00 ? 65 ARG A CB 17 ATOM 25368 C CG . ARG A 1 65 ? 6.665 9.604 0.158 1.00 0.00 ? 65 ARG A CG 17 ATOM 25369 C CD . ARG A 1 65 ? 7.948 10.162 -0.437 1.00 0.00 ? 65 ARG A CD 17 ATOM 25370 N NE . ARG A 1 65 ? 9.079 10.027 0.477 1.00 0.00 ? 65 ARG A NE 17 ATOM 25371 C CZ . ARG A 1 65 ? 10.340 10.247 0.123 1.00 0.00 ? 65 ARG A CZ 17 ATOM 25372 N NH1 . ARG A 1 65 ? 10.630 10.611 -1.118 1.00 0.00 ? 65 ARG A NH1 17 ATOM 25373 N NH2 . ARG A 1 65 ? 11.315 10.104 1.013 1.00 0.00 ? 65 ARG A NH2 17 ATOM 25374 H H . ARG A 1 65 ? 4.924 11.341 3.324 1.00 0.00 ? 65 ARG A H 17 ATOM 25375 H HA . ARG A 1 65 ? 4.583 9.051 1.681 1.00 0.00 ? 65 ARG A HA 17 ATOM 25376 H HB2 . ARG A 1 65 ? 5.875 11.263 1.221 1.00 0.00 ? 65 ARG A HB2 17 ATOM 25377 H HB3 . ARG A 1 65 ? 7.214 10.454 2.024 1.00 0.00 ? 65 ARG A HB3 17 ATOM 25378 H HG2 . ARG A 1 65 ? 6.798 8.550 0.350 1.00 0.00 ? 65 ARG A HG2 17 ATOM 25379 H HG3 . ARG A 1 65 ? 5.860 9.745 -0.548 1.00 0.00 ? 65 ARG A HG3 17 ATOM 25380 H HD2 . ARG A 1 65 ? 8.169 9.626 -1.349 1.00 0.00 ? 65 ARG A HD2 17 ATOM 25381 H HD3 . ARG A 1 65 ? 7.801 11.207 -0.662 1.00 0.00 ? 65 ARG A HD3 17 ATOM 25382 H HE . ARG A 1 65 ? 8.887 9.759 1.400 1.00 0.00 ? 65 ARG A HE 17 ATOM 25383 H HH11 . ARG A 1 65 ? 9.898 10.721 -1.790 1.00 0.00 ? 65 ARG A HH11 17 ATOM 25384 H HH12 . ARG A 1 65 ? 11.581 10.778 -1.382 1.00 0.00 ? 65 ARG A HH12 17 ATOM 25385 H HH21 . ARG A 1 65 ? 11.100 9.830 1.950 1.00 0.00 ? 65 ARG A HH21 17 ATOM 25386 H HH22 . ARG A 1 65 ? 12.263 10.270 0.746 1.00 0.00 ? 65 ARG A HH22 17 ATOM 25387 N N . ASP A 1 66 ? 6.821 8.845 4.102 1.00 0.00 ? 66 ASP A N 17 ATOM 25388 C CA . ASP A 1 66 ? 7.577 7.907 4.923 1.00 0.00 ? 66 ASP A CA 17 ATOM 25389 C C . ASP A 1 66 ? 6.778 6.630 5.166 1.00 0.00 ? 66 ASP A C 17 ATOM 25390 O O . ASP A 1 66 ? 7.196 5.540 4.775 1.00 0.00 ? 66 ASP A O 17 ATOM 25391 C CB . ASP A 1 66 ? 7.950 8.552 6.259 1.00 0.00 ? 66 ASP A CB 17 ATOM 25392 C CG . ASP A 1 66 ? 8.694 7.599 7.174 1.00 0.00 ? 66 ASP A CG 17 ATOM 25393 O OD1 . ASP A 1 66 ? 9.518 6.811 6.666 1.00 0.00 ? 66 ASP A OD1 17 ATOM 25394 O OD2 . ASP A 1 66 ? 8.451 7.641 8.399 1.00 0.00 ? 66 ASP A OD2 17 ATOM 25395 H H . ASP A 1 66 ? 6.880 9.804 4.293 1.00 0.00 ? 66 ASP A H 17 ATOM 25396 H HA . ASP A 1 66 ? 8.482 7.654 4.391 1.00 0.00 ? 66 ASP A HA 17 ATOM 25397 H HB2 . ASP A 1 66 ? 8.580 9.409 6.074 1.00 0.00 ? 66 ASP A HB2 17 ATOM 25398 H HB3 . ASP A 1 66 ? 7.048 8.873 6.760 1.00 0.00 ? 66 ASP A HB3 17 ATOM 25399 N N . SER A 1 67 ? 5.626 6.773 5.814 1.00 0.00 ? 67 SER A N 17 ATOM 25400 C CA . SER A 1 67 ? 4.771 5.630 6.113 1.00 0.00 ? 67 SER A CA 17 ATOM 25401 C C . SER A 1 67 ? 4.377 4.897 4.835 1.00 0.00 ? 67 SER A C 17 ATOM 25402 O O . SER A 1 67 ? 4.663 3.710 4.673 1.00 0.00 ? 67 SER A O 17 ATOM 25403 C CB . SER A 1 67 ? 3.516 6.088 6.859 1.00 0.00 ? 67 SER A CB 17 ATOM 25404 O OG . SER A 1 67 ? 2.694 6.891 6.030 1.00 0.00 ? 67 SER A OG 17 ATOM 25405 H H . SER A 1 67 ? 5.347 7.668 6.100 1.00 0.00 ? 67 SER A H 17 ATOM 25406 H HA . SER A 1 67 ? 5.329 4.955 6.745 1.00 0.00 ? 67 SER A HA 17 ATOM 25407 H HB2 . SER A 1 67 ? 2.952 5.223 7.174 1.00 0.00 ? 67 SER A HB2 17 ATOM 25408 H HB3 . SER A 1 67 ? 3.806 6.664 7.726 1.00 0.00 ? 67 SER A HB3 17 ATOM 25409 H HG . SER A 1 67 ? 3.175 7.681 5.772 1.00 0.00 ? 67 SER A HG 17 ATOM 25410 N N . HIS A 1 68 ? 3.719 5.612 3.928 1.00 0.00 ? 68 HIS A N 17 ATOM 25411 C CA . HIS A 1 68 ? 3.286 5.030 2.663 1.00 0.00 ? 68 HIS A CA 17 ATOM 25412 C C . HIS A 1 68 ? 4.328 4.051 2.130 1.00 0.00 ? 68 HIS A C 17 ATOM 25413 O O . HIS A 1 68 ? 3.996 3.105 1.417 1.00 0.00 ? 68 HIS A O 17 ATOM 25414 C CB . HIS A 1 68 ? 3.029 6.131 1.633 1.00 0.00 ? 68 HIS A CB 17 ATOM 25415 C CG . HIS A 1 68 ? 1.714 6.825 1.812 1.00 0.00 ? 68 HIS A CG 17 ATOM 25416 N ND1 . HIS A 1 68 ? 0.521 6.150 1.957 1.00 0.00 ? 68 HIS A ND1 17 ATOM 25417 C CD2 . HIS A 1 68 ? 1.410 8.142 1.872 1.00 0.00 ? 68 HIS A CD2 17 ATOM 25418 C CE1 . HIS A 1 68 ? -0.462 7.022 2.096 1.00 0.00 ? 68 HIS A CE1 17 ATOM 25419 N NE2 . HIS A 1 68 ? 0.051 8.238 2.049 1.00 0.00 ? 68 HIS A NE2 17 ATOM 25420 H H . HIS A 1 68 ? 3.520 6.553 4.115 1.00 0.00 ? 68 HIS A H 17 ATOM 25421 H HA . HIS A 1 68 ? 2.366 4.495 2.842 1.00 0.00 ? 68 HIS A HA 17 ATOM 25422 H HB2 . HIS A 1 68 ? 3.809 6.874 1.708 1.00 0.00 ? 68 HIS A HB2 17 ATOM 25423 H HB3 . HIS A 1 68 ? 3.045 5.698 0.642 1.00 0.00 ? 68 HIS A HB3 17 ATOM 25424 H HD1 . HIS A 1 68 ? 0.410 5.176 1.956 1.00 0.00 ? 68 HIS A HD1 17 ATOM 25425 H HD2 . HIS A 1 68 ? 2.105 8.966 1.795 1.00 0.00 ? 68 HIS A HD2 17 ATOM 25426 H HE1 . HIS A 1 68 ? -1.506 6.782 2.227 1.00 0.00 ? 68 HIS A HE1 17 ATOM 25427 H HE2 . HIS A 1 68 ? -0.467 9.069 2.041 1.00 0.00 ? 68 HIS A HE2 17 ATOM 25428 N N . MET A 1 69 ? 5.588 4.286 2.481 1.00 0.00 ? 69 MET A N 17 ATOM 25429 C CA . MET A 1 69 ? 6.678 3.425 2.038 1.00 0.00 ? 69 MET A CA 17 ATOM 25430 C C . MET A 1 69 ? 7.012 2.382 3.100 1.00 0.00 ? 69 MET A C 17 ATOM 25431 O O . MET A 1 69 ? 7.261 1.218 2.785 1.00 0.00 ? 69 MET A O 17 ATOM 25432 C CB . MET A 1 69 ? 7.919 4.260 1.719 1.00 0.00 ? 69 MET A CB 17 ATOM 25433 C CG . MET A 1 69 ? 7.896 4.875 0.329 1.00 0.00 ? 69 MET A CG 17 ATOM 25434 S SD . MET A 1 69 ? 7.758 3.639 -0.976 1.00 0.00 ? 69 MET A SD 17 ATOM 25435 C CE . MET A 1 69 ? 9.169 2.599 -0.608 1.00 0.00 ? 69 MET A CE 17 ATOM 25436 H H . MET A 1 69 ? 5.790 5.057 3.052 1.00 0.00 ? 69 MET A H 17 ATOM 25437 H HA . MET A 1 69 ? 6.355 2.917 1.141 1.00 0.00 ? 69 MET A HA 17 ATOM 25438 H HB2 . MET A 1 69 ? 7.997 5.058 2.441 1.00 0.00 ? 69 MET A HB2 17 ATOM 25439 H HB3 . MET A 1 69 ? 8.792 3.629 1.795 1.00 0.00 ? 69 MET A HB3 17 ATOM 25440 H HG2 . MET A 1 69 ? 7.052 5.545 0.260 1.00 0.00 ? 69 MET A HG2 17 ATOM 25441 H HG3 . MET A 1 69 ? 8.809 5.433 0.183 1.00 0.00 ? 69 MET A HG3 17 ATOM 25442 H HE1 . MET A 1 69 ? 9.196 1.770 -1.300 1.00 0.00 ? 69 MET A HE1 17 ATOM 25443 H HE2 . MET A 1 69 ? 10.076 3.177 -0.703 1.00 0.00 ? 69 MET A HE2 17 ATOM 25444 H HE3 . MET A 1 69 ? 9.085 2.223 0.401 1.00 0.00 ? 69 MET A HE3 17 ATOM 25445 N N . LYS A 1 70 ? 7.016 2.806 4.359 1.00 0.00 ? 70 LYS A N 17 ATOM 25446 C CA . LYS A 1 70 ? 7.318 1.909 5.469 1.00 0.00 ? 70 LYS A CA 17 ATOM 25447 C C . LYS A 1 70 ? 6.460 0.650 5.399 1.00 0.00 ? 70 LYS A C 17 ATOM 25448 O O . LYS A 1 70 ? 6.926 -0.446 5.711 1.00 0.00 ? 70 LYS A O 17 ATOM 25449 C CB . LYS A 1 70 ? 7.090 2.621 6.804 1.00 0.00 ? 70 LYS A CB 17 ATOM 25450 C CG . LYS A 1 70 ? 5.687 2.442 7.357 1.00 0.00 ? 70 LYS A CG 17 ATOM 25451 C CD . LYS A 1 70 ? 5.557 3.037 8.749 1.00 0.00 ? 70 LYS A CD 17 ATOM 25452 C CE . LYS A 1 70 ? 6.055 2.074 9.816 1.00 0.00 ? 70 LYS A CE 17 ATOM 25453 N NZ . LYS A 1 70 ? 6.043 2.692 11.171 1.00 0.00 ? 70 LYS A NZ 17 ATOM 25454 H H . LYS A 1 70 ? 6.809 3.746 4.547 1.00 0.00 ? 70 LYS A H 17 ATOM 25455 H HA . LYS A 1 70 ? 8.357 1.627 5.393 1.00 0.00 ? 70 LYS A HA 17 ATOM 25456 H HB2 . LYS A 1 70 ? 7.792 2.236 7.528 1.00 0.00 ? 70 LYS A HB2 17 ATOM 25457 H HB3 . LYS A 1 70 ? 7.269 3.678 6.669 1.00 0.00 ? 70 LYS A HB3 17 ATOM 25458 H HG2 . LYS A 1 70 ? 4.985 2.934 6.700 1.00 0.00 ? 70 LYS A HG2 17 ATOM 25459 H HG3 . LYS A 1 70 ? 5.461 1.386 7.404 1.00 0.00 ? 70 LYS A HG3 17 ATOM 25460 H HD2 . LYS A 1 70 ? 6.139 3.945 8.800 1.00 0.00 ? 70 LYS A HD2 17 ATOM 25461 H HD3 . LYS A 1 70 ? 4.517 3.263 8.939 1.00 0.00 ? 70 LYS A HD3 17 ATOM 25462 H HE2 . LYS A 1 70 ? 5.418 1.202 9.821 1.00 0.00 ? 70 LYS A HE2 17 ATOM 25463 H HE3 . LYS A 1 70 ? 7.065 1.779 9.572 1.00 0.00 ? 70 LYS A HE3 17 ATOM 25464 H HZ1 . LYS A 1 70 ? 5.717 2.000 11.875 1.00 0.00 ? 70 LYS A HZ1 17 ATOM 25465 H HZ2 . LYS A 1 70 ? 5.404 3.511 11.184 1.00 0.00 ? 70 LYS A HZ2 17 ATOM 25466 H HZ3 . LYS A 1 70 ? 7.000 3.008 11.428 1.00 0.00 ? 70 LYS A HZ3 17 ATOM 25467 N N . GLN A 1 71 ? 5.207 0.814 4.988 1.00 0.00 ? 71 GLN A N 17 ATOM 25468 C CA . GLN A 1 71 ? 4.286 -0.310 4.878 1.00 0.00 ? 71 GLN A CA 17 ATOM 25469 C C . GLN A 1 71 ? 4.593 -1.146 3.640 1.00 0.00 ? 71 GLN A C 17 ATOM 25470 O O . GLN A 1 71 ? 4.469 -2.372 3.658 1.00 0.00 ? 71 GLN A O 17 ATOM 25471 C CB . GLN A 1 71 ? 2.841 0.190 4.825 1.00 0.00 ? 71 GLN A CB 17 ATOM 25472 C CG . GLN A 1 71 ? 2.275 0.560 6.186 1.00 0.00 ? 71 GLN A CG 17 ATOM 25473 C CD . GLN A 1 71 ? 2.340 -0.585 7.177 1.00 0.00 ? 71 GLN A CD 17 ATOM 25474 O OE1 . GLN A 1 71 ? 1.520 -1.503 7.137 1.00 0.00 ? 71 GLN A OE1 17 ATOM 25475 N NE2 . GLN A 1 71 ? 3.319 -0.538 8.073 1.00 0.00 ? 71 GLN A NE2 17 ATOM 25476 H H . GLN A 1 71 ? 4.895 1.713 4.755 1.00 0.00 ? 71 GLN A H 17 ATOM 25477 H HA . GLN A 1 71 ? 4.411 -0.928 5.754 1.00 0.00 ? 71 GLN A HA 17 ATOM 25478 H HB2 . GLN A 1 71 ? 2.798 1.063 4.191 1.00 0.00 ? 71 GLN A HB2 17 ATOM 25479 H HB3 . GLN A 1 71 ? 2.220 -0.585 4.400 1.00 0.00 ? 71 GLN A HB3 17 ATOM 25480 H HG2 . GLN A 1 71 ? 2.840 1.391 6.583 1.00 0.00 ? 71 GLN A HG2 17 ATOM 25481 H HG3 . GLN A 1 71 ? 1.243 0.854 6.064 1.00 0.00 ? 71 GLN A HG3 17 ATOM 25482 H HE21 . GLN A 1 71 ? 3.935 0.224 8.045 1.00 0.00 ? 71 GLN A HE21 17 ATOM 25483 H HE22 . GLN A 1 71 ? 3.384 -1.265 8.726 1.00 0.00 ? 71 GLN A HE22 17 ATOM 25484 N N . LEU A 1 72 ? 4.994 -0.477 2.565 1.00 0.00 ? 72 LEU A N 17 ATOM 25485 C CA . LEU A 1 72 ? 5.319 -1.158 1.316 1.00 0.00 ? 72 LEU A CA 17 ATOM 25486 C C . LEU A 1 72 ? 6.442 -2.169 1.524 1.00 0.00 ? 72 LEU A C 17 ATOM 25487 O O . LEU A 1 72 ? 6.269 -3.364 1.282 1.00 0.00 ? 72 LEU A O 17 ATOM 25488 C CB . LEU A 1 72 ? 5.724 -0.141 0.248 1.00 0.00 ? 72 LEU A CB 17 ATOM 25489 C CG . LEU A 1 72 ? 6.352 -0.715 -1.022 1.00 0.00 ? 72 LEU A CG 17 ATOM 25490 C CD1 . LEU A 1 72 ? 5.421 -1.732 -1.665 1.00 0.00 ? 72 LEU A CD1 17 ATOM 25491 C CD2 . LEU A 1 72 ? 6.687 0.399 -2.003 1.00 0.00 ? 72 LEU A CD2 17 ATOM 25492 H H . LEU A 1 72 ? 5.074 0.499 2.611 1.00 0.00 ? 72 LEU A H 17 ATOM 25493 H HA . LEU A 1 72 ? 4.435 -1.682 0.986 1.00 0.00 ? 72 LEU A HA 17 ATOM 25494 H HB2 . LEU A 1 72 ? 4.840 0.407 -0.039 1.00 0.00 ? 72 LEU A HB2 17 ATOM 25495 H HB3 . LEU A 1 72 ? 6.438 0.538 0.693 1.00 0.00 ? 72 LEU A HB3 17 ATOM 25496 H HG . LEU A 1 72 ? 7.272 -1.223 -0.764 1.00 0.00 ? 72 LEU A HG 17 ATOM 25497 H HD11 . LEU A 1 72 ? 5.166 -2.493 -0.944 1.00 0.00 ? 72 LEU A HD11 17 ATOM 25498 H HD12 . LEU A 1 72 ? 5.914 -2.187 -2.511 1.00 0.00 ? 72 LEU A HD12 17 ATOM 25499 H HD13 . LEU A 1 72 ? 4.521 -1.235 -1.998 1.00 0.00 ? 72 LEU A HD13 17 ATOM 25500 H HD21 . LEU A 1 72 ? 6.039 0.327 -2.864 1.00 0.00 ? 72 LEU A HD21 17 ATOM 25501 H HD22 . LEU A 1 72 ? 7.716 0.304 -2.318 1.00 0.00 ? 72 LEU A HD22 17 ATOM 25502 H HD23 . LEU A 1 72 ? 6.544 1.356 -1.523 1.00 0.00 ? 72 LEU A HD23 17 ATOM 25503 N N . LEU A 1 73 ? 7.593 -1.682 1.976 1.00 0.00 ? 73 LEU A N 17 ATOM 25504 C CA . LEU A 1 73 ? 8.745 -2.544 2.219 1.00 0.00 ? 73 LEU A CA 17 ATOM 25505 C C . LEU A 1 73 ? 8.349 -3.761 3.048 1.00 0.00 ? 73 LEU A C 17 ATOM 25506 O O . LEU A 1 73 ? 8.880 -4.856 2.856 1.00 0.00 ? 73 LEU A O 17 ATOM 25507 C CB . LEU A 1 73 ? 9.849 -1.763 2.934 1.00 0.00 ? 73 LEU A CB 17 ATOM 25508 C CG . LEU A 1 73 ? 10.133 -0.359 2.397 1.00 0.00 ? 73 LEU A CG 17 ATOM 25509 C CD1 . LEU A 1 73 ? 11.310 0.264 3.131 1.00 0.00 ? 73 LEU A CD1 17 ATOM 25510 C CD2 . LEU A 1 73 ? 10.399 -0.405 0.900 1.00 0.00 ? 73 LEU A CD2 17 ATOM 25511 H H . LEU A 1 73 ? 7.671 -0.722 2.150 1.00 0.00 ? 73 LEU A H 17 ATOM 25512 H HA . LEU A 1 73 ? 9.115 -2.880 1.262 1.00 0.00 ? 73 LEU A HA 17 ATOM 25513 H HB2 . LEU A 1 73 ? 9.568 -1.669 3.972 1.00 0.00 ? 73 LEU A HB2 17 ATOM 25514 H HB3 . LEU A 1 73 ? 10.761 -2.338 2.859 1.00 0.00 ? 73 LEU A HB3 17 ATOM 25515 H HG . LEU A 1 73 ? 9.267 0.266 2.565 1.00 0.00 ? 73 LEU A HG 17 ATOM 25516 H HD11 . LEU A 1 73 ? 11.157 0.178 4.196 1.00 0.00 ? 73 LEU A HD11 17 ATOM 25517 H HD12 . LEU A 1 73 ? 11.391 1.307 2.862 1.00 0.00 ? 73 LEU A HD12 17 ATOM 25518 H HD13 . LEU A 1 73 ? 12.220 -0.250 2.855 1.00 0.00 ? 73 LEU A HD13 17 ATOM 25519 H HD21 . LEU A 1 73 ? 10.324 0.592 0.491 1.00 0.00 ? 73 LEU A HD21 17 ATOM 25520 H HD22 . LEU A 1 73 ? 9.670 -1.045 0.424 1.00 0.00 ? 73 LEU A HD22 17 ATOM 25521 H HD23 . LEU A 1 73 ? 11.391 -0.793 0.722 1.00 0.00 ? 73 LEU A HD23 17 ATOM 25522 N N . LEU A 1 74 ? 7.412 -3.564 3.969 1.00 0.00 ? 74 LEU A N 17 ATOM 25523 C CA . LEU A 1 74 ? 6.943 -4.647 4.827 1.00 0.00 ? 74 LEU A CA 17 ATOM 25524 C C . LEU A 1 74 ? 6.077 -5.627 4.042 1.00 0.00 ? 74 LEU A C 17 ATOM 25525 O O . LEU A 1 74 ? 6.385 -6.816 3.962 1.00 0.00 ? 74 LEU A O 17 ATOM 25526 C CB . LEU A 1 74 ? 6.151 -4.081 6.008 1.00 0.00 ? 74 LEU A CB 17 ATOM 25527 C CG . LEU A 1 74 ? 6.975 -3.637 7.217 1.00 0.00 ? 74 LEU A CG 17 ATOM 25528 C CD1 . LEU A 1 74 ? 6.131 -2.787 8.154 1.00 0.00 ? 74 LEU A CD1 17 ATOM 25529 C CD2 . LEU A 1 74 ? 7.538 -4.845 7.951 1.00 0.00 ? 74 LEU A CD2 17 ATOM 25530 H H . LEU A 1 74 ? 7.027 -2.670 4.076 1.00 0.00 ? 74 LEU A H 17 ATOM 25531 H HA . LEU A 1 74 ? 7.809 -5.171 5.203 1.00 0.00 ? 74 LEU A HA 17 ATOM 25532 H HB2 . LEU A 1 74 ? 5.596 -3.226 5.654 1.00 0.00 ? 74 LEU A HB2 17 ATOM 25533 H HB3 . LEU A 1 74 ? 5.461 -4.845 6.338 1.00 0.00 ? 74 LEU A HB3 17 ATOM 25534 H HG . LEU A 1 74 ? 7.806 -3.034 6.877 1.00 0.00 ? 74 LEU A HG 17 ATOM 25535 H HD11 . LEU A 1 74 ? 6.671 -2.623 9.075 1.00 0.00 ? 74 LEU A HD11 17 ATOM 25536 H HD12 . LEU A 1 74 ? 5.204 -3.297 8.366 1.00 0.00 ? 74 LEU A HD12 17 ATOM 25537 H HD13 . LEU A 1 74 ? 5.920 -1.837 7.686 1.00 0.00 ? 74 LEU A HD13 17 ATOM 25538 H HD21 . LEU A 1 74 ? 8.301 -4.521 8.644 1.00 0.00 ? 74 LEU A HD21 17 ATOM 25539 H HD22 . LEU A 1 74 ? 7.969 -5.532 7.237 1.00 0.00 ? 74 LEU A HD22 17 ATOM 25540 H HD23 . LEU A 1 74 ? 6.745 -5.339 8.493 1.00 0.00 ? 74 LEU A HD23 17 ATOM 25541 N N . ILE A 1 75 ? 4.994 -5.119 3.463 1.00 0.00 ? 75 ILE A N 17 ATOM 25542 C CA . ILE A 1 75 ? 4.086 -5.949 2.681 1.00 0.00 ? 75 ILE A CA 17 ATOM 25543 C C . ILE A 1 75 ? 4.846 -6.770 1.645 1.00 0.00 ? 75 ILE A C 17 ATOM 25544 O O . ILE A 1 75 ? 4.514 -7.928 1.392 1.00 0.00 ? 75 ILE A O 17 ATOM 25545 C CB . ILE A 1 75 ? 3.021 -5.098 1.965 1.00 0.00 ? 75 ILE A CB 17 ATOM 25546 C CG1 . ILE A 1 75 ? 2.139 -4.379 2.987 1.00 0.00 ? 75 ILE A CG1 17 ATOM 25547 C CG2 . ILE A 1 75 ? 2.176 -5.969 1.048 1.00 0.00 ? 75 ILE A CG2 17 ATOM 25548 C CD1 . ILE A 1 75 ? 1.219 -3.347 2.373 1.00 0.00 ? 75 ILE A CD1 17 ATOM 25549 H H . ILE A 1 75 ? 4.802 -4.163 3.562 1.00 0.00 ? 75 ILE A H 17 ATOM 25550 H HA . ILE A 1 75 ? 3.583 -6.622 3.360 1.00 0.00 ? 75 ILE A HA 17 ATOM 25551 H HB . ILE A 1 75 ? 3.528 -4.364 1.358 1.00 0.00 ? 75 ILE A HB 17 ATOM 25552 H HG12 . ILE A 1 75 ? 1.527 -5.105 3.499 1.00 0.00 ? 75 ILE A HG12 17 ATOM 25553 H HG13 . ILE A 1 75 ? 2.770 -3.876 3.705 1.00 0.00 ? 75 ILE A HG13 17 ATOM 25554 H HG21 . ILE A 1 75 ? 2.708 -6.142 0.124 1.00 0.00 ? 75 ILE A HG21 17 ATOM 25555 H HG22 . ILE A 1 75 ? 1.979 -6.914 1.531 1.00 0.00 ? 75 ILE A HG22 17 ATOM 25556 H HG23 . ILE A 1 75 ? 1.242 -5.470 0.837 1.00 0.00 ? 75 ILE A HG23 17 ATOM 25557 H HD11 . ILE A 1 75 ? 0.212 -3.502 2.732 1.00 0.00 ? 75 ILE A HD11 17 ATOM 25558 H HD12 . ILE A 1 75 ? 1.552 -2.358 2.647 1.00 0.00 ? 75 ILE A HD12 17 ATOM 25559 H HD13 . ILE A 1 75 ? 1.235 -3.447 1.297 1.00 0.00 ? 75 ILE A HD13 17 ATOM 25560 N N . GLN A 1 76 ? 5.868 -6.163 1.050 1.00 0.00 ? 76 GLN A N 17 ATOM 25561 C CA . GLN A 1 76 ? 6.676 -6.839 0.042 1.00 0.00 ? 76 GLN A CA 17 ATOM 25562 C C . GLN A 1 76 ? 7.296 -8.113 0.606 1.00 0.00 ? 76 GLN A C 17 ATOM 25563 O O . GLN A 1 76 ? 7.061 -9.207 0.095 1.00 0.00 ? 76 GLN A O 17 ATOM 25564 C CB . GLN A 1 76 ? 7.774 -5.906 -0.471 1.00 0.00 ? 76 GLN A CB 17 ATOM 25565 C CG . GLN A 1 76 ? 7.291 -4.915 -1.517 1.00 0.00 ? 76 GLN A CG 17 ATOM 25566 C CD . GLN A 1 76 ? 8.432 -4.236 -2.248 1.00 0.00 ? 76 GLN A CD 17 ATOM 25567 O OE1 . GLN A 1 76 ? 8.797 -4.632 -3.356 1.00 0.00 ? 76 GLN A OE1 17 ATOM 25568 N NE2 . GLN A 1 76 ? 9.003 -3.208 -1.632 1.00 0.00 ? 76 GLN A NE2 17 ATOM 25569 H H . GLN A 1 76 ? 6.083 -5.239 1.295 1.00 0.00 ? 76 GLN A H 17 ATOM 25570 H HA . GLN A 1 76 ? 6.027 -7.103 -0.780 1.00 0.00 ? 76 GLN A HA 17 ATOM 25571 H HB2 . GLN A 1 76 ? 8.176 -5.350 0.363 1.00 0.00 ? 76 GLN A HB2 17 ATOM 25572 H HB3 . GLN A 1 76 ? 8.561 -6.503 -0.908 1.00 0.00 ? 76 GLN A HB3 17 ATOM 25573 H HG2 . GLN A 1 76 ? 6.683 -5.440 -2.239 1.00 0.00 ? 76 GLN A HG2 17 ATOM 25574 H HG3 . GLN A 1 76 ? 6.695 -4.158 -1.028 1.00 0.00 ? 76 GLN A HG3 17 ATOM 25575 H HE21 . GLN A 1 76 ? 8.660 -2.949 -0.750 1.00 0.00 ? 76 GLN A HE21 17 ATOM 25576 H HE22 . GLN A 1 76 ? 9.743 -2.751 -2.081 1.00 0.00 ? 76 GLN A HE22 17 ATOM 25577 N N . GLU A 1 77 ? 8.088 -7.962 1.663 1.00 0.00 ? 77 GLU A N 17 ATOM 25578 C CA . GLU A 1 77 ? 8.743 -9.101 2.295 1.00 0.00 ? 77 GLU A CA 17 ATOM 25579 C C . GLU A 1 77 ? 7.714 -10.090 2.834 1.00 0.00 ? 77 GLU A C 17 ATOM 25580 O O . GLU A 1 77 ? 7.973 -11.291 2.913 1.00 0.00 ? 77 GLU A O 17 ATOM 25581 C CB . GLU A 1 77 ? 9.655 -8.629 3.429 1.00 0.00 ? 77 GLU A CB 17 ATOM 25582 C CG . GLU A 1 77 ? 8.941 -7.791 4.477 1.00 0.00 ? 77 GLU A CG 17 ATOM 25583 C CD . GLU A 1 77 ? 9.804 -7.516 5.692 1.00 0.00 ? 77 GLU A CD 17 ATOM 25584 O OE1 . GLU A 1 77 ? 10.797 -6.771 5.559 1.00 0.00 ? 77 GLU A OE1 17 ATOM 25585 O OE2 . GLU A 1 77 ? 9.486 -8.046 6.777 1.00 0.00 ? 77 GLU A OE2 17 ATOM 25586 H H . GLU A 1 77 ? 8.237 -7.063 2.025 1.00 0.00 ? 77 GLU A H 17 ATOM 25587 H HA . GLU A 1 77 ? 9.343 -9.596 1.546 1.00 0.00 ? 77 GLU A HA 17 ATOM 25588 H HB2 . GLU A 1 77 ? 10.080 -9.494 3.917 1.00 0.00 ? 77 GLU A HB2 17 ATOM 25589 H HB3 . GLU A 1 77 ? 10.454 -8.036 3.009 1.00 0.00 ? 77 GLU A HB3 17 ATOM 25590 H HG2 . GLU A 1 77 ? 8.658 -6.848 4.034 1.00 0.00 ? 77 GLU A HG2 17 ATOM 25591 H HG3 . GLU A 1 77 ? 8.053 -8.318 4.795 1.00 0.00 ? 77 GLU A HG3 17 ATOM 25592 N N . ARG A 1 78 ? 6.545 -9.576 3.204 1.00 0.00 ? 78 ARG A N 17 ATOM 25593 C CA . ARG A 1 78 ? 5.477 -10.413 3.737 1.00 0.00 ? 78 ARG A CA 17 ATOM 25594 C C . ARG A 1 78 ? 4.901 -11.317 2.651 1.00 0.00 ? 78 ARG A C 17 ATOM 25595 O O . ARG A 1 78 ? 4.526 -12.459 2.915 1.00 0.00 ? 78 ARG A O 17 ATOM 25596 C CB . ARG A 1 78 ? 4.368 -9.543 4.333 1.00 0.00 ? 78 ARG A CB 17 ATOM 25597 C CG . ARG A 1 78 ? 4.740 -8.910 5.664 1.00 0.00 ? 78 ARG A CG 17 ATOM 25598 C CD . ARG A 1 78 ? 4.805 -9.946 6.775 1.00 0.00 ? 78 ARG A CD 17 ATOM 25599 N NE . ARG A 1 78 ? 3.499 -10.175 7.388 1.00 0.00 ? 78 ARG A NE 17 ATOM 25600 C CZ . ARG A 1 78 ? 2.634 -11.086 6.957 1.00 0.00 ? 78 ARG A CZ 17 ATOM 25601 N NH1 . ARG A 1 78 ? 2.935 -11.850 5.916 1.00 0.00 ? 78 ARG A NH1 17 ATOM 25602 N NH2 . ARG A 1 78 ? 1.465 -11.234 7.567 1.00 0.00 ? 78 ARG A NH2 17 ATOM 25603 H H . ARG A 1 78 ? 6.398 -8.611 3.117 1.00 0.00 ? 78 ARG A H 17 ATOM 25604 H HA . ARG A 1 78 ? 5.897 -11.030 4.517 1.00 0.00 ? 78 ARG A HA 17 ATOM 25605 H HB2 . ARG A 1 78 ? 4.134 -8.752 3.636 1.00 0.00 ? 78 ARG A HB2 17 ATOM 25606 H HB3 . ARG A 1 78 ? 3.490 -10.153 4.481 1.00 0.00 ? 78 ARG A HB3 17 ATOM 25607 H HG2 . ARG A 1 78 ? 5.707 -8.438 5.570 1.00 0.00 ? 78 ARG A HG2 17 ATOM 25608 H HG3 . ARG A 1 78 ? 3.998 -8.168 5.918 1.00 0.00 ? 78 ARG A HG3 17 ATOM 25609 H HD2 . ARG A 1 78 ? 5.165 -10.876 6.360 1.00 0.00 ? 78 ARG A HD2 17 ATOM 25610 H HD3 . ARG A 1 78 ? 5.493 -9.600 7.532 1.00 0.00 ? 78 ARG A HD3 17 ATOM 25611 H HE . ARG A 1 78 ? 3.257 -9.621 8.158 1.00 0.00 ? 78 ARG A HE 17 ATOM 25612 H HH11 . ARG A 1 78 ? 3.815 -11.741 5.454 1.00 0.00 ? 78 ARG A HH11 17 ATOM 25613 H HH12 . ARG A 1 78 ? 2.282 -12.536 5.594 1.00 0.00 ? 78 ARG A HH12 17 ATOM 25614 H HH21 . ARG A 1 78 ? 1.235 -10.660 8.352 1.00 0.00 ? 78 ARG A HH21 17 ATOM 25615 H HH22 . ARG A 1 78 ? 0.815 -11.920 7.242 1.00 0.00 ? 78 ARG A HH22 17 ATOM 25616 N N . TRP A 1 79 ? 4.833 -10.797 1.431 1.00 0.00 ? 79 TRP A N 17 ATOM 25617 C CA . TRP A 1 79 ? 4.302 -11.557 0.305 1.00 0.00 ? 79 TRP A CA 17 ATOM 25618 C C . TRP A 1 79 ? 5.288 -12.633 -0.139 1.00 0.00 ? 79 TRP A C 17 ATOM 25619 O O . TRP A 1 79 ? 4.895 -13.755 -0.458 1.00 0.00 ? 79 TRP A O 17 ATOM 25620 C CB . TRP A 1 79 ? 3.987 -10.623 -0.865 1.00 0.00 ? 79 TRP A CB 17 ATOM 25621 C CG . TRP A 1 79 ? 3.259 -11.300 -1.986 1.00 0.00 ? 79 TRP A CG 17 ATOM 25622 C CD1 . TRP A 1 79 ? 2.355 -12.317 -1.881 1.00 0.00 ? 79 TRP A CD1 17 ATOM 25623 C CD2 . TRP A 1 79 ? 3.377 -11.009 -3.383 1.00 0.00 ? 79 TRP A CD2 17 ATOM 25624 N NE1 . TRP A 1 79 ? 1.903 -12.677 -3.128 1.00 0.00 ? 79 TRP A NE1 17 ATOM 25625 C CE2 . TRP A 1 79 ? 2.514 -11.888 -4.066 1.00 0.00 ? 79 TRP A CE2 17 ATOM 25626 C CE3 . TRP A 1 79 ? 4.126 -10.090 -4.123 1.00 0.00 ? 79 TRP A CE3 17 ATOM 25627 C CZ2 . TRP A 1 79 ? 2.383 -11.874 -5.452 1.00 0.00 ? 79 TRP A CZ2 17 ATOM 25628 C CZ3 . TRP A 1 79 ? 3.995 -10.078 -5.499 1.00 0.00 ? 79 TRP A CZ3 17 ATOM 25629 C CH2 . TRP A 1 79 ? 3.128 -10.964 -6.152 1.00 0.00 ? 79 TRP A CH2 17 ATOM 25630 H H . TRP A 1 79 ? 5.148 -9.880 1.283 1.00 0.00 ? 79 TRP A H 17 ATOM 25631 H HA . TRP A 1 79 ? 3.389 -12.034 0.629 1.00 0.00 ? 79 TRP A HA 17 ATOM 25632 H HB2 . TRP A 1 79 ? 3.371 -9.809 -0.511 1.00 0.00 ? 79 TRP A HB2 17 ATOM 25633 H HB3 . TRP A 1 79 ? 4.912 -10.226 -1.257 1.00 0.00 ? 79 TRP A HB3 17 ATOM 25634 H HD1 . TRP A 1 79 ? 2.050 -12.766 -0.947 1.00 0.00 ? 79 TRP A HD1 17 ATOM 25635 H HE1 . TRP A 1 79 ? 1.248 -13.382 -3.314 1.00 0.00 ? 79 TRP A HE1 17 ATOM 25636 H HE3 . TRP A 1 79 ? 4.799 -9.399 -3.638 1.00 0.00 ? 79 TRP A HE3 17 ATOM 25637 H HZ2 . TRP A 1 79 ? 1.719 -12.551 -5.970 1.00 0.00 ? 79 TRP A HZ2 17 ATOM 25638 H HZ3 . TRP A 1 79 ? 4.566 -9.375 -6.088 1.00 0.00 ? 79 TRP A HZ3 17 ATOM 25639 H HH2 . TRP A 1 79 ? 3.057 -10.920 -7.228 1.00 0.00 ? 79 TRP A HH2 17 ATOM 25640 N N . LYS A 1 80 ? 6.569 -12.283 -0.158 1.00 0.00 ? 80 LYS A N 17 ATOM 25641 C CA . LYS A 1 80 ? 7.612 -13.219 -0.561 1.00 0.00 ? 80 LYS A CA 17 ATOM 25642 C C . LYS A 1 80 ? 7.466 -14.547 0.175 1.00 0.00 ? 80 LYS A C 17 ATOM 25643 O O . LYS A 1 80 ? 7.336 -15.601 -0.448 1.00 0.00 ? 80 LYS A O 17 ATOM 25644 C CB . LYS A 1 80 ? 8.995 -12.622 -0.289 1.00 0.00 ? 80 LYS A CB 17 ATOM 25645 C CG . LYS A 1 80 ? 9.262 -11.335 -1.049 1.00 0.00 ? 80 LYS A CG 17 ATOM 25646 C CD . LYS A 1 80 ? 10.751 -11.094 -1.232 1.00 0.00 ? 80 LYS A CD 17 ATOM 25647 C CE . LYS A 1 80 ? 11.334 -10.300 -0.073 1.00 0.00 ? 80 LYS A CE 17 ATOM 25648 N NZ . LYS A 1 80 ? 11.068 -8.841 -0.211 1.00 0.00 ? 80 LYS A NZ 17 ATOM 25649 H H . LYS A 1 80 ? 6.820 -11.373 0.107 1.00 0.00 ? 80 LYS A H 17 ATOM 25650 H HA . LYS A 1 80 ? 7.508 -13.395 -1.621 1.00 0.00 ? 80 LYS A HA 17 ATOM 25651 H HB2 . LYS A 1 80 ? 9.083 -12.417 0.767 1.00 0.00 ? 80 LYS A HB2 17 ATOM 25652 H HB3 . LYS A 1 80 ? 9.747 -13.345 -0.571 1.00 0.00 ? 80 LYS A HB3 17 ATOM 25653 H HG2 . LYS A 1 80 ? 8.797 -11.398 -2.022 1.00 0.00 ? 80 LYS A HG2 17 ATOM 25654 H HG3 . LYS A 1 80 ? 8.838 -10.507 -0.499 1.00 0.00 ? 80 LYS A HG3 17 ATOM 25655 H HD2 . LYS A 1 80 ? 11.257 -12.046 -1.291 1.00 0.00 ? 80 LYS A HD2 17 ATOM 25656 H HD3 . LYS A 1 80 ? 10.908 -10.543 -2.149 1.00 0.00 ? 80 LYS A HD3 17 ATOM 25657 H HE2 . LYS A 1 80 ? 10.891 -10.652 0.846 1.00 0.00 ? 80 LYS A HE2 17 ATOM 25658 H HE3 . LYS A 1 80 ? 12.401 -10.461 -0.043 1.00 0.00 ? 80 LYS A HE3 17 ATOM 25659 H HZ1 . LYS A 1 80 ? 10.150 -8.688 -0.675 1.00 0.00 ? 80 LYS A HZ1 17 ATOM 25660 H HZ2 . LYS A 1 80 ? 11.812 -8.395 -0.784 1.00 0.00 ? 80 LYS A HZ2 17 ATOM 25661 H HZ3 . LYS A 1 80 ? 11.051 -8.390 0.726 1.00 0.00 ? 80 LYS A HZ3 17 ATOM 25662 N N . ARG A 1 81 ? 7.488 -14.488 1.502 1.00 0.00 ? 81 ARG A N 17 ATOM 25663 C CA . ARG A 1 81 ? 7.357 -15.686 2.322 1.00 0.00 ? 81 ARG A CA 17 ATOM 25664 C C . ARG A 1 81 ? 6.035 -16.395 2.043 1.00 0.00 ? 81 ARG A C 17 ATOM 25665 O O . ARG A 1 81 ? 5.963 -17.623 2.056 1.00 0.00 ? 81 ARG A O 17 ATOM 25666 C CB . ARG A 1 81 ? 7.452 -15.327 3.806 1.00 0.00 ? 81 ARG A CB 17 ATOM 25667 C CG . ARG A 1 81 ? 8.784 -14.709 4.200 1.00 0.00 ? 81 ARG A CG 17 ATOM 25668 C CD . ARG A 1 81 ? 8.643 -13.810 5.418 1.00 0.00 ? 81 ARG A CD 17 ATOM 25669 N NE . ARG A 1 81 ? 9.787 -12.917 5.575 1.00 0.00 ? 81 ARG A NE 17 ATOM 25670 C CZ . ARG A 1 81 ? 9.980 -12.150 6.642 1.00 0.00 ? 81 ARG A CZ 17 ATOM 25671 N NH1 . ARG A 1 81 ? 9.109 -12.167 7.641 1.00 0.00 ? 81 ARG A NH1 17 ATOM 25672 N NH2 . ARG A 1 81 ? 11.047 -11.363 6.711 1.00 0.00 ? 81 ARG A NH2 17 ATOM 25673 H H . ARG A 1 81 ? 7.594 -13.618 1.941 1.00 0.00 ? 81 ARG A H 17 ATOM 25674 H HA . ARG A 1 81 ? 8.169 -16.351 2.070 1.00 0.00 ? 81 ARG A HA 17 ATOM 25675 H HB2 . ARG A 1 81 ? 6.669 -14.622 4.045 1.00 0.00 ? 81 ARG A HB2 17 ATOM 25676 H HB3 . ARG A 1 81 ? 7.308 -16.223 4.391 1.00 0.00 ? 81 ARG A HB3 17 ATOM 25677 H HG2 . ARG A 1 81 ? 9.483 -15.500 4.429 1.00 0.00 ? 81 ARG A HG2 17 ATOM 25678 H HG3 . ARG A 1 81 ? 9.157 -14.124 3.373 1.00 0.00 ? 81 ARG A HG3 17 ATOM 25679 H HD2 . ARG A 1 81 ? 7.747 -13.217 5.309 1.00 0.00 ? 81 ARG A HD2 17 ATOM 25680 H HD3 . ARG A 1 81 ? 8.558 -14.430 6.298 1.00 0.00 ? 81 ARG A HD3 17 ATOM 25681 H HE . ARG A 1 81 ? 10.444 -12.889 4.848 1.00 0.00 ? 81 ARG A HE 17 ATOM 25682 H HH11 . ARG A 1 81 ? 8.305 -12.759 7.592 1.00 0.00 ? 81 ARG A HH11 17 ATOM 25683 H HH12 . ARG A 1 81 ? 9.257 -11.588 8.444 1.00 0.00 ? 81 ARG A HH12 17 ATOM 25684 H HH21 . ARG A 1 81 ? 11.706 -11.348 5.960 1.00 0.00 ? 81 ARG A HH21 17 ATOM 25685 H HH22 . ARG A 1 81 ? 11.190 -10.786 7.514 1.00 0.00 ? 81 ARG A HH22 17 ATOM 25686 N N . ALA A 1 82 ? 4.991 -15.612 1.791 1.00 0.00 ? 82 ALA A N 17 ATOM 25687 C CA . ALA A 1 82 ? 3.673 -16.164 1.507 1.00 0.00 ? 82 ALA A CA 17 ATOM 25688 C C . ALA A 1 82 ? 3.698 -17.027 0.250 1.00 0.00 ? 82 ALA A C 17 ATOM 25689 O O . ALA A 1 82 ? 3.133 -18.121 0.223 1.00 0.00 ? 82 ALA A O 17 ATOM 25690 C CB . ALA A 1 82 ? 2.652 -15.046 1.361 1.00 0.00 ? 82 ALA A CB 17 ATOM 25691 H H . ALA A 1 82 ? 5.112 -14.640 1.795 1.00 0.00 ? 82 ALA A H 17 ATOM 25692 H HA . ALA A 1 82 ? 3.380 -16.778 2.347 1.00 0.00 ? 82 ALA A HA 17 ATOM 25693 H HB1 . ALA A 1 82 ? 3.158 -14.132 1.083 1.00 0.00 ? 82 ALA A HB1 17 ATOM 25694 H HB2 . ALA A 1 82 ? 1.937 -15.309 0.596 1.00 0.00 ? 82 ALA A HB2 17 ATOM 25695 H HB3 . ALA A 1 82 ? 2.139 -14.902 2.300 1.00 0.00 ? 82 ALA A HB3 17 ATOM 25696 N N . LYS A 1 83 ? 4.356 -16.529 -0.791 1.00 0.00 ? 83 LYS A N 17 ATOM 25697 C CA . LYS A 1 83 ? 4.456 -17.253 -2.052 1.00 0.00 ? 83 LYS A CA 17 ATOM 25698 C C . LYS A 1 83 ? 4.708 -18.738 -1.808 1.00 0.00 ? 83 LYS A C 17 ATOM 25699 O O . LYS A 1 83 ? 4.116 -19.594 -2.466 1.00 0.00 ? 83 LYS A O 17 ATOM 25700 C CB . LYS A 1 83 ? 5.579 -16.669 -2.912 1.00 0.00 ? 83 LYS A CB 17 ATOM 25701 C CG . LYS A 1 83 ? 5.378 -15.205 -3.263 1.00 0.00 ? 83 LYS A CG 17 ATOM 25702 C CD . LYS A 1 83 ? 4.611 -15.044 -4.564 1.00 0.00 ? 83 LYS A CD 17 ATOM 25703 C CE . LYS A 1 83 ? 5.019 -13.776 -5.299 1.00 0.00 ? 83 LYS A CE 17 ATOM 25704 N NZ . LYS A 1 83 ? 6.314 -13.942 -6.014 1.00 0.00 ? 83 LYS A NZ 17 ATOM 25705 H H . LYS A 1 83 ? 4.786 -15.651 -0.709 1.00 0.00 ? 83 LYS A H 17 ATOM 25706 H HA . LYS A 1 83 ? 3.519 -17.141 -2.575 1.00 0.00 ? 83 LYS A HA 17 ATOM 25707 H HB2 . LYS A 1 83 ? 6.513 -16.765 -2.378 1.00 0.00 ? 83 LYS A HB2 17 ATOM 25708 H HB3 . LYS A 1 83 ? 5.642 -17.233 -3.832 1.00 0.00 ? 83 LYS A HB3 17 ATOM 25709 H HG2 . LYS A 1 83 ? 4.824 -14.727 -2.469 1.00 0.00 ? 83 LYS A HG2 17 ATOM 25710 H HG3 . LYS A 1 83 ? 6.345 -14.733 -3.365 1.00 0.00 ? 83 LYS A HG3 17 ATOM 25711 H HD2 . LYS A 1 83 ? 4.812 -15.894 -5.199 1.00 0.00 ? 83 LYS A HD2 17 ATOM 25712 H HD3 . LYS A 1 83 ? 3.553 -14.998 -4.345 1.00 0.00 ? 83 LYS A HD3 17 ATOM 25713 H HE2 . LYS A 1 83 ? 4.251 -13.527 -6.015 1.00 0.00 ? 83 LYS A HE2 17 ATOM 25714 H HE3 . LYS A 1 83 ? 5.114 -12.975 -4.580 1.00 0.00 ? 83 LYS A HE3 17 ATOM 25715 H HZ1 . LYS A 1 83 ? 7.030 -13.304 -5.610 1.00 0.00 ? 83 LYS A HZ1 17 ATOM 25716 H HZ2 . LYS A 1 83 ? 6.197 -13.717 -7.023 1.00 0.00 ? 83 LYS A HZ2 17 ATOM 25717 H HZ3 . LYS A 1 83 ? 6.649 -14.922 -5.925 1.00 0.00 ? 83 LYS A HZ3 17 ATOM 25718 N N . ARG A 1 84 ? 5.589 -19.036 -0.859 1.00 0.00 ? 84 ARG A N 17 ATOM 25719 C CA . ARG A 1 84 ? 5.919 -20.417 -0.528 1.00 0.00 ? 84 ARG A CA 17 ATOM 25720 C C . ARG A 1 84 ? 5.018 -20.938 0.588 1.00 0.00 ? 84 ARG A C 17 ATOM 25721 O O . ARG A 1 84 ? 4.469 -22.035 0.492 1.00 0.00 ? 84 ARG A O 17 ATOM 25722 C CB . ARG A 1 84 ? 7.385 -20.527 -0.108 1.00 0.00 ? 84 ARG A CB 17 ATOM 25723 C CG . ARG A 1 84 ? 7.753 -19.628 1.062 1.00 0.00 ? 84 ARG A CG 17 ATOM 25724 C CD . ARG A 1 84 ? 9.232 -19.732 1.401 1.00 0.00 ? 84 ARG A CD 17 ATOM 25725 N NE . ARG A 1 84 ? 9.547 -20.975 2.099 1.00 0.00 ? 84 ARG A NE 17 ATOM 25726 C CZ . ARG A 1 84 ? 10.692 -21.189 2.738 1.00 0.00 ? 84 ARG A CZ 17 ATOM 25727 N NH1 . ARG A 1 84 ? 11.625 -20.247 2.767 1.00 0.00 ? 84 ARG A NH1 17 ATOM 25728 N NH2 . ARG A 1 84 ? 10.906 -22.347 3.349 1.00 0.00 ? 84 ARG A NH2 17 ATOM 25729 H H . ARG A 1 84 ? 6.029 -18.309 -0.369 1.00 0.00 ? 84 ARG A H 17 ATOM 25730 H HA . ARG A 1 84 ? 5.761 -21.016 -1.412 1.00 0.00 ? 84 ARG A HA 17 ATOM 25731 H HB2 . ARG A 1 84 ? 7.591 -21.549 0.174 1.00 0.00 ? 84 ARG A HB2 17 ATOM 25732 H HB3 . ARG A 1 84 ? 8.009 -20.261 -0.948 1.00 0.00 ? 84 ARG A HB3 17 ATOM 25733 H HG2 . ARG A 1 84 ? 7.525 -18.604 0.803 1.00 0.00 ? 84 ARG A HG2 17 ATOM 25734 H HG3 . ARG A 1 84 ? 7.173 -19.920 1.924 1.00 0.00 ? 84 ARG A HG3 17 ATOM 25735 H HD2 . ARG A 1 84 ? 9.801 -19.690 0.484 1.00 0.00 ? 84 ARG A HD2 17 ATOM 25736 H HD3 . ARG A 1 84 ? 9.502 -18.897 2.031 1.00 0.00 ? 84 ARG A HD3 17 ATOM 25737 H HE . ARG A 1 84 ? 8.872 -21.685 2.089 1.00 0.00 ? 84 ARG A HE 17 ATOM 25738 H HH11 . ARG A 1 84 ? 11.466 -19.373 2.308 1.00 0.00 ? 84 ARG A HH11 17 ATOM 25739 H HH12 . ARG A 1 84 ? 12.485 -20.410 3.250 1.00 0.00 ? 84 ARG A HH12 17 ATOM 25740 H HH21 . ARG A 1 84 ? 10.205 -23.059 3.329 1.00 0.00 ? 84 ARG A HH21 17 ATOM 25741 H HH22 . ARG A 1 84 ? 11.768 -22.507 3.829 1.00 0.00 ? 84 ARG A HH22 17 ATOM 25742 N N . GLU A 1 85 ? 4.872 -20.144 1.644 1.00 0.00 ? 85 GLU A N 17 ATOM 25743 C CA . GLU A 1 85 ? 4.039 -20.527 2.778 1.00 0.00 ? 85 GLU A CA 17 ATOM 25744 C C . GLU A 1 85 ? 2.625 -20.875 2.321 1.00 0.00 ? 85 GLU A C 17 ATOM 25745 O O . GLU A 1 85 ? 2.185 -22.017 2.447 1.00 0.00 ? 85 GLU A O 17 ATOM 25746 C CB . GLU A 1 85 ? 3.991 -19.398 3.808 1.00 0.00 ? 85 GLU A CB 17 ATOM 25747 C CG . GLU A 1 85 ? 5.353 -19.028 4.371 1.00 0.00 ? 85 GLU A CG 17 ATOM 25748 C CD . GLU A 1 85 ? 5.722 -19.849 5.591 1.00 0.00 ? 85 GLU A CD 17 ATOM 25749 O OE1 . GLU A 1 85 ? 5.460 -21.070 5.588 1.00 0.00 ? 85 GLU A OE1 17 ATOM 25750 O OE2 . GLU A 1 85 ? 6.274 -19.270 6.550 1.00 0.00 ? 85 GLU A OE2 17 ATOM 25751 H H . GLU A 1 85 ? 5.336 -19.281 1.661 1.00 0.00 ? 85 GLU A H 17 ATOM 25752 H HA . GLU A 1 85 ? 4.482 -21.400 3.234 1.00 0.00 ? 85 GLU A HA 17 ATOM 25753 H HB2 . GLU A 1 85 ? 3.566 -18.520 3.343 1.00 0.00 ? 85 GLU A HB2 17 ATOM 25754 H HB3 . GLU A 1 85 ? 3.357 -19.702 4.628 1.00 0.00 ? 85 GLU A HB3 17 ATOM 25755 H HG2 . GLU A 1 85 ? 6.100 -19.191 3.608 1.00 0.00 ? 85 GLU A HG2 17 ATOM 25756 H HG3 . GLU A 1 85 ? 5.344 -17.984 4.647 1.00 0.00 ? 85 GLU A HG3 17 ATOM 25757 N N . GLU A 1 86 ? 1.920 -19.881 1.791 1.00 0.00 ? 86 GLU A N 17 ATOM 25758 C CA . GLU A 1 86 ? 0.555 -20.081 1.317 1.00 0.00 ? 86 GLU A CA 17 ATOM 25759 C C . GLU A 1 86 ? 0.467 -21.312 0.419 1.00 0.00 ? 86 GLU A C 17 ATOM 25760 O O . GLU A 1 86 ? -0.353 -22.202 0.647 1.00 0.00 ? 86 GLU A O 17 ATOM 25761 C CB . GLU A 1 86 ? 0.069 -18.845 0.558 1.00 0.00 ? 86 GLU A CB 17 ATOM 25762 C CG . GLU A 1 86 ? -1.440 -18.669 0.585 1.00 0.00 ? 86 GLU A CG 17 ATOM 25763 C CD . GLU A 1 86 ? -1.885 -17.350 -0.017 1.00 0.00 ? 86 GLU A CD 17 ATOM 25764 O OE1 . GLU A 1 86 ? -1.377 -16.297 0.421 1.00 0.00 ? 86 GLU A OE1 17 ATOM 25765 O OE2 . GLU A 1 86 ? -2.740 -17.372 -0.926 1.00 0.00 ? 86 GLU A OE2 17 ATOM 25766 H H . GLU A 1 86 ? 2.326 -18.992 1.718 1.00 0.00 ? 86 GLU A H 17 ATOM 25767 H HA . GLU A 1 86 ? -0.076 -20.234 2.180 1.00 0.00 ? 86 GLU A HA 17 ATOM 25768 H HB2 . GLU A 1 86 ? 0.521 -17.968 0.995 1.00 0.00 ? 86 GLU A HB2 17 ATOM 25769 H HB3 . GLU A 1 86 ? 0.382 -18.925 -0.473 1.00 0.00 ? 86 GLU A HB3 17 ATOM 25770 H HG2 . GLU A 1 86 ? -1.894 -19.473 0.025 1.00 0.00 ? 86 GLU A HG2 17 ATOM 25771 H HG3 . GLU A 1 86 ? -1.777 -18.712 1.611 1.00 0.00 ? 86 GLU A HG3 17 ATOM 25772 N N . ARG A 1 87 ? 1.315 -21.353 -0.603 1.00 0.00 ? 87 ARG A N 17 ATOM 25773 C CA . ARG A 1 87 ? 1.332 -22.472 -1.537 1.00 0.00 ? 87 ARG A CA 17 ATOM 25774 C C . ARG A 1 87 ? 1.480 -23.798 -0.795 1.00 0.00 ? 87 ARG A C 17 ATOM 25775 O O . ARG A 1 87 ? 0.831 -24.787 -1.134 1.00 0.00 ? 87 ARG A O 17 ATOM 25776 C CB . ARG A 1 87 ? 2.474 -22.308 -2.542 1.00 0.00 ? 87 ARG A CB 17 ATOM 25777 C CG . ARG A 1 87 ? 2.167 -21.319 -3.655 1.00 0.00 ? 87 ARG A CG 17 ATOM 25778 C CD . ARG A 1 87 ? 1.502 -22.002 -4.840 1.00 0.00 ? 87 ARG A CD 17 ATOM 25779 N NE . ARG A 1 87 ? 2.480 -22.574 -5.762 1.00 0.00 ? 87 ARG A NE 17 ATOM 25780 C CZ . ARG A 1 87 ? 2.190 -23.525 -6.643 1.00 0.00 ? 87 ARG A CZ 17 ATOM 25781 N NH1 . ARG A 1 87 ? 0.958 -24.008 -6.721 1.00 0.00 ? 87 ARG A NH1 17 ATOM 25782 N NH2 . ARG A 1 87 ? 3.135 -23.995 -7.448 1.00 0.00 ? 87 ARG A NH2 17 ATOM 25783 H H . ARG A 1 87 ? 1.945 -20.613 -0.732 1.00 0.00 ? 87 ARG A H 17 ATOM 25784 H HA . ARG A 1 87 ? 0.393 -22.474 -2.069 1.00 0.00 ? 87 ARG A HA 17 ATOM 25785 H HB2 . ARG A 1 87 ? 3.353 -21.965 -2.018 1.00 0.00 ? 87 ARG A HB2 17 ATOM 25786 H HB3 . ARG A 1 87 ? 2.683 -23.268 -2.991 1.00 0.00 ? 87 ARG A HB3 17 ATOM 25787 H HG2 . ARG A 1 87 ? 1.504 -20.557 -3.274 1.00 0.00 ? 87 ARG A HG2 17 ATOM 25788 H HG3 . ARG A 1 87 ? 3.090 -20.865 -3.984 1.00 0.00 ? 87 ARG A HG3 17 ATOM 25789 H HD2 . ARG A 1 87 ? 0.864 -22.791 -4.472 1.00 0.00 ? 87 ARG A HD2 17 ATOM 25790 H HD3 . ARG A 1 87 ? 0.905 -21.274 -5.369 1.00 0.00 ? 87 ARG A HD3 17 ATOM 25791 H HE . ARG A 1 87 ? 3.397 -22.232 -5.721 1.00 0.00 ? 87 ARG A HE 17 ATOM 25792 H HH11 . ARG A 1 87 ? 0.244 -23.655 -6.117 1.00 0.00 ? 87 ARG A HH11 17 ATOM 25793 H HH12 . ARG A 1 87 ? 0.742 -24.723 -7.387 1.00 0.00 ? 87 ARG A HH12 17 ATOM 25794 H HH21 . ARG A 1 87 ? 4.065 -23.633 -7.392 1.00 0.00 ? 87 ARG A HH21 17 ATOM 25795 H HH22 . ARG A 1 87 ? 2.916 -24.710 -8.111 1.00 0.00 ? 87 ARG A HH22 17 ATOM 25796 N N . LEU A 1 88 ? 2.339 -23.809 0.218 1.00 0.00 ? 88 LEU A N 17 ATOM 25797 C CA . LEU A 1 88 ? 2.574 -25.013 1.009 1.00 0.00 ? 88 LEU A CA 17 ATOM 25798 C C . LEU A 1 88 ? 1.296 -25.461 1.710 1.00 0.00 ? 88 LEU A C 17 ATOM 25799 O O . LEU A 1 88 ? 0.784 -26.551 1.456 1.00 0.00 ? 88 LEU A O 17 ATOM 25800 C CB . LEU A 1 88 ? 3.675 -24.763 2.040 1.00 0.00 ? 88 LEU A CB 17 ATOM 25801 C CG . LEU A 1 88 ? 5.111 -24.823 1.517 1.00 0.00 ? 88 LEU A CG 17 ATOM 25802 C CD1 . LEU A 1 88 ? 6.019 -23.928 2.346 1.00 0.00 ? 88 LEU A CD1 17 ATOM 25803 C CD2 . LEU A 1 88 ? 5.621 -26.257 1.525 1.00 0.00 ? 88 LEU A CD2 17 ATOM 25804 H H . LEU A 1 88 ? 2.828 -22.990 0.441 1.00 0.00 ? 88 LEU A H 17 ATOM 25805 H HA . LEU A 1 88 ? 2.893 -25.794 0.335 1.00 0.00 ? 88 LEU A HA 17 ATOM 25806 H HB2 . LEU A 1 88 ? 3.517 -23.782 2.461 1.00 0.00 ? 88 LEU A HB2 17 ATOM 25807 H HB3 . LEU A 1 88 ? 3.573 -25.507 2.818 1.00 0.00 ? 88 LEU A HB3 17 ATOM 25808 H HG . LEU A 1 88 ? 5.131 -24.465 0.497 1.00 0.00 ? 88 LEU A HG 17 ATOM 25809 H HD11 . LEU A 1 88 ? 6.813 -23.546 1.724 1.00 0.00 ? 88 LEU A HD11 17 ATOM 25810 H HD12 . LEU A 1 88 ? 6.442 -24.499 3.160 1.00 0.00 ? 88 LEU A HD12 17 ATOM 25811 H HD13 . LEU A 1 88 ? 5.445 -23.105 2.746 1.00 0.00 ? 88 LEU A HD13 17 ATOM 25812 H HD21 . LEU A 1 88 ? 6.665 -26.266 1.801 1.00 0.00 ? 88 LEU A HD21 17 ATOM 25813 H HD22 . LEU A 1 88 ? 5.506 -26.685 0.539 1.00 0.00 ? 88 LEU A HD22 17 ATOM 25814 H HD23 . LEU A 1 88 ? 5.054 -26.837 2.237 1.00 0.00 ? 88 LEU A HD23 17 ATOM 25815 N N . LYS A 1 89 ? 0.783 -24.611 2.594 1.00 0.00 ? 89 LYS A N 17 ATOM 25816 C CA . LYS A 1 89 ? -0.437 -24.917 3.331 1.00 0.00 ? 89 LYS A CA 17 ATOM 25817 C C . LYS A 1 89 ? -1.564 -25.306 2.380 1.00 0.00 ? 89 LYS A C 17 ATOM 25818 O O . LYS A 1 89 ? -2.463 -26.064 2.745 1.00 0.00 ? 89 LYS A O 17 ATOM 25819 C CB . LYS A 1 89 ? -0.862 -23.713 4.176 1.00 0.00 ? 89 LYS A CB 17 ATOM 25820 C CG . LYS A 1 89 ? -1.179 -22.475 3.355 1.00 0.00 ? 89 LYS A CG 17 ATOM 25821 C CD . LYS A 1 89 ? -1.730 -21.357 4.224 1.00 0.00 ? 89 LYS A CD 17 ATOM 25822 C CE . LYS A 1 89 ? -3.245 -21.427 4.330 1.00 0.00 ? 89 LYS A CE 17 ATOM 25823 N NZ . LYS A 1 89 ? -3.815 -20.205 4.962 1.00 0.00 ? 89 LYS A NZ 17 ATOM 25824 H H . LYS A 1 89 ? 1.237 -23.757 2.754 1.00 0.00 ? 89 LYS A H 17 ATOM 25825 H HA . LYS A 1 89 ? -0.230 -25.750 3.985 1.00 0.00 ? 89 LYS A HA 17 ATOM 25826 H HB2 . LYS A 1 89 ? -1.742 -23.979 4.743 1.00 0.00 ? 89 LYS A HB2 17 ATOM 25827 H HB3 . LYS A 1 89 ? -0.062 -23.470 4.861 1.00 0.00 ? 89 LYS A HB3 17 ATOM 25828 H HG2 . LYS A 1 89 ? -0.276 -22.132 2.874 1.00 0.00 ? 89 LYS A HG2 17 ATOM 25829 H HG3 . LYS A 1 89 ? -1.914 -22.731 2.605 1.00 0.00 ? 89 LYS A HG3 17 ATOM 25830 H HD2 . LYS A 1 89 ? -1.307 -21.440 5.214 1.00 0.00 ? 89 LYS A HD2 17 ATOM 25831 H HD3 . LYS A 1 89 ? -1.451 -20.406 3.791 1.00 0.00 ? 89 LYS A HD3 17 ATOM 25832 H HE2 . LYS A 1 89 ? -3.658 -21.534 3.338 1.00 0.00 ? 89 LYS A HE2 17 ATOM 25833 H HE3 . LYS A 1 89 ? -3.512 -22.288 4.925 1.00 0.00 ? 89 LYS A HE3 17 ATOM 25834 H HZ1 . LYS A 1 89 ? -4.581 -20.465 5.616 1.00 0.00 ? 89 LYS A HZ1 17 ATOM 25835 H HZ2 . LYS A 1 89 ? -4.198 -19.571 4.233 1.00 0.00 ? 89 LYS A HZ2 17 ATOM 25836 H HZ3 . LYS A 1 89 ? -3.077 -19.700 5.493 1.00 0.00 ? 89 LYS A HZ3 17 ATOM 25837 N N . ALA A 1 90 ? -1.509 -24.784 1.159 1.00 0.00 ? 90 ALA A N 17 ATOM 25838 C CA . ALA A 1 90 ? -2.523 -25.080 0.155 1.00 0.00 ? 90 ALA A CA 17 ATOM 25839 C C . ALA A 1 90 ? -2.466 -26.544 -0.268 1.00 0.00 ? 90 ALA A C 17 ATOM 25840 O O . ALA A 1 90 ? -1.476 -26.996 -0.844 1.00 0.00 ? 90 ALA A O 17 ATOM 25841 C CB . ALA A 1 90 ? -2.350 -24.173 -1.054 1.00 0.00 ? 90 ALA A CB 17 ATOM 25842 H H . ALA A 1 90 ? -0.768 -24.186 0.928 1.00 0.00 ? 90 ALA A H 17 ATOM 25843 H HA . ALA A 1 90 ? -3.492 -24.879 0.590 1.00 0.00 ? 90 ALA A HA 17 ATOM 25844 H HB1 . ALA A 1 90 ? -3.115 -24.396 -1.783 1.00 0.00 ? 90 ALA A HB1 17 ATOM 25845 H HB2 . ALA A 1 90 ? -2.437 -23.142 -0.745 1.00 0.00 ? 90 ALA A HB2 17 ATOM 25846 H HB3 . ALA A 1 90 ? -1.377 -24.338 -1.491 1.00 0.00 ? 90 ALA A HB3 17 ATOM 25847 N N . HIS A 1 91 ? -3.533 -27.282 0.023 1.00 0.00 ? 91 HIS A N 17 ATOM 25848 C CA . HIS A 1 91 ? -3.604 -28.696 -0.327 1.00 0.00 ? 91 HIS A CA 17 ATOM 25849 C C . HIS A 1 91 ? -3.072 -28.933 -1.737 1.00 0.00 ? 91 HIS A C 17 ATOM 25850 O O . HIS A 1 91 ? -2.157 -29.732 -1.940 1.00 0.00 ? 91 HIS A O 17 ATOM 25851 C CB . HIS A 1 91 ? -5.044 -29.198 -0.222 1.00 0.00 ? 91 HIS A CB 17 ATOM 25852 C CG . HIS A 1 91 ? -5.161 -30.691 -0.242 1.00 0.00 ? 91 HIS A CG 17 ATOM 25853 N ND1 . HIS A 1 91 ? -6.053 -31.365 -1.049 1.00 0.00 ? 91 HIS A ND1 17 ATOM 25854 C CD2 . HIS A 1 91 ? -4.491 -31.641 0.451 1.00 0.00 ? 91 HIS A CD2 17 ATOM 25855 C CE1 . HIS A 1 91 ? -5.927 -32.665 -0.850 1.00 0.00 ? 91 HIS A CE1 17 ATOM 25856 N NE2 . HIS A 1 91 ? -4.985 -32.859 0.055 1.00 0.00 ? 91 HIS A NE2 17 ATOM 25857 H H . HIS A 1 91 ? -4.291 -26.865 0.484 1.00 0.00 ? 91 HIS A H 17 ATOM 25858 H HA . HIS A 1 91 ? -2.989 -29.242 0.372 1.00 0.00 ? 91 HIS A HA 17 ATOM 25859 H HB2 . HIS A 1 91 ? -5.474 -28.844 0.704 1.00 0.00 ? 91 HIS A HB2 17 ATOM 25860 H HB3 . HIS A 1 91 ? -5.616 -28.808 -1.051 1.00 0.00 ? 91 HIS A HB3 17 ATOM 25861 H HD1 . HIS A 1 91 ? -6.685 -30.952 -1.673 1.00 0.00 ? 91 HIS A HD1 17 ATOM 25862 H HD2 . HIS A 1 91 ? -3.711 -31.473 1.182 1.00 0.00 ? 91 HIS A HD2 17 ATOM 25863 H HE1 . HIS A 1 91 ? -6.496 -33.438 -1.344 1.00 0.00 ? 91 HIS A HE1 17 ATOM 25864 H HE2 . HIS A 1 91 ? -4.752 -33.725 0.449 1.00 0.00 ? 91 HIS A HE2 17 ATOM 25865 N N . SER A 1 92 ? -3.651 -28.235 -2.709 1.00 0.00 ? 92 SER A N 17 ATOM 25866 C CA . SER A 1 92 ? -3.238 -28.374 -4.100 1.00 0.00 ? 92 SER A CA 17 ATOM 25867 C C . SER A 1 92 ? -1.733 -28.169 -4.244 1.00 0.00 ? 92 SER A C 17 ATOM 25868 O O . SER A 1 92 ? -1.248 -27.039 -4.259 1.00 0.00 ? 92 SER A O 17 ATOM 25869 C CB . SER A 1 92 ? -3.987 -27.369 -4.979 1.00 0.00 ? 92 SER A CB 17 ATOM 25870 O OG . SER A 1 92 ? -3.849 -26.051 -4.478 1.00 0.00 ? 92 SER A OG 17 ATOM 25871 H H . SER A 1 92 ? -4.375 -27.614 -2.484 1.00 0.00 ? 92 SER A H 17 ATOM 25872 H HA . SER A 1 92 ? -3.486 -29.374 -4.422 1.00 0.00 ? 92 SER A HA 17 ATOM 25873 H HB2 . SER A 1 92 ? -3.588 -27.404 -5.981 1.00 0.00 ? 92 SER A HB2 17 ATOM 25874 H HB3 . SER A 1 92 ? -5.036 -27.626 -5.000 1.00 0.00 ? 92 SER A HB3 17 ATOM 25875 H HG . SER A 1 92 ? -3.751 -25.438 -5.210 1.00 0.00 ? 92 SER A HG 17 ATOM 25876 N N . GLY A 1 93 ? -1.000 -29.273 -4.349 1.00 0.00 ? 93 GLY A N 17 ATOM 25877 C CA . GLY A 1 93 ? 0.443 -29.194 -4.489 1.00 0.00 ? 93 GLY A CA 17 ATOM 25878 C C . GLY A 1 93 ? 1.145 -30.429 -3.961 1.00 0.00 ? 93 GLY A C 17 ATOM 25879 O O . GLY A 1 93 ? 1.352 -31.407 -4.680 1.00 0.00 ? 93 GLY A O 17 ATOM 25880 H H . GLY A 1 93 ? -1.441 -30.148 -4.330 1.00 0.00 ? 93 GLY A H 17 ATOM 25881 H HA2 . GLY A 1 93 ? 0.686 -29.074 -5.534 1.00 0.00 ? 93 GLY A HA2 17 ATOM 25882 H HA3 . GLY A 1 93 ? 0.799 -28.331 -3.945 1.00 0.00 ? 93 GLY A HA3 17 ATOM 25883 N N . PRO A 1 94 ? 1.526 -30.394 -2.675 1.00 0.00 ? 94 PRO A N 17 ATOM 25884 C CA . PRO A 1 94 ? 2.216 -31.511 -2.023 1.00 0.00 ? 94 PRO A CA 17 ATOM 25885 C C . PRO A 1 94 ? 1.305 -32.717 -1.822 1.00 0.00 ? 94 PRO A C 17 ATOM 25886 O O . PRO A 1 94 ? 1.772 -33.819 -1.533 1.00 0.00 ? 94 PRO A O 17 ATOM 25887 C CB . PRO A 1 94 ? 2.636 -30.927 -0.672 1.00 0.00 ? 94 PRO A CB 17 ATOM 25888 C CG . PRO A 1 94 ? 1.661 -29.831 -0.412 1.00 0.00 ? 94 PRO A CG 17 ATOM 25889 C CD . PRO A 1 94 ? 1.311 -29.261 -1.759 1.00 0.00 ? 94 PRO A CD 17 ATOM 25890 H HA . PRO A 1 94 ? 3.093 -31.812 -2.576 1.00 0.00 ? 94 PRO A HA 17 ATOM 25891 H HB2 . PRO A 1 94 ? 2.580 -31.695 0.088 1.00 0.00 ? 94 PRO A HB2 17 ATOM 25892 H HB3 . PRO A 1 94 ? 3.646 -30.550 -0.737 1.00 0.00 ? 94 PRO A HB3 17 ATOM 25893 H HG2 . PRO A 1 94 ? 0.780 -30.230 0.067 1.00 0.00 ? 94 PRO A HG2 17 ATOM 25894 H HG3 . PRO A 1 94 ? 2.117 -29.074 0.208 1.00 0.00 ? 94 PRO A HG3 17 ATOM 25895 H HD2 . PRO A 1 94 ? 0.280 -28.941 -1.777 1.00 0.00 ? 94 PRO A HD2 17 ATOM 25896 H HD3 . PRO A 1 94 ? 1.968 -28.439 -2.003 1.00 0.00 ? 94 PRO A HD3 17 ATOM 25897 N N . SER A 1 95 ? 0.002 -32.502 -1.978 1.00 0.00 ? 95 SER A N 17 ATOM 25898 C CA . SER A 1 95 ? -0.974 -33.572 -1.810 1.00 0.00 ? 95 SER A CA 17 ATOM 25899 C C . SER A 1 95 ? -0.963 -34.512 -3.012 1.00 0.00 ? 95 SER A C 17 ATOM 25900 O O . SER A 1 95 ? -1.035 -34.071 -4.159 1.00 0.00 ? 95 SER A O 17 ATOM 25901 C CB . SER A 1 95 ? -2.375 -32.987 -1.620 1.00 0.00 ? 95 SER A CB 17 ATOM 25902 O OG . SER A 1 95 ? -2.850 -32.400 -2.819 1.00 0.00 ? 95 SER A OG 17 ATOM 25903 H H . SER A 1 95 ? -0.309 -31.601 -2.208 1.00 0.00 ? 95 SER A H 17 ATOM 25904 H HA . SER A 1 95 ? -0.705 -34.132 -0.927 1.00 0.00 ? 95 SER A HA 17 ATOM 25905 H HB2 . SER A 1 95 ? -3.054 -33.772 -1.324 1.00 0.00 ? 95 SER A HB2 17 ATOM 25906 H HB3 . SER A 1 95 ? -2.344 -32.229 -0.850 1.00 0.00 ? 95 SER A HB3 17 ATOM 25907 H HG . SER A 1 95 ? -3.453 -31.684 -2.609 1.00 0.00 ? 95 SER A HG 17 ATOM 25908 N N . SER A 1 96 ? -0.870 -35.809 -2.739 1.00 0.00 ? 96 SER A N 17 ATOM 25909 C CA . SER A 1 96 ? -0.845 -36.813 -3.797 1.00 0.00 ? 96 SER A CA 17 ATOM 25910 C C . SER A 1 96 ? -2.260 -37.175 -4.237 1.00 0.00 ? 96 SER A C 17 ATOM 25911 O O . SER A 1 96 ? -2.636 -36.969 -5.390 1.00 0.00 ? 96 SER A O 17 ATOM 25912 C CB . SER A 1 96 ? -0.110 -38.067 -3.321 1.00 0.00 ? 96 SER A CB 17 ATOM 25913 O OG . SER A 1 96 ? 0.341 -38.841 -4.419 1.00 0.00 ? 96 SER A OG 17 ATOM 25914 H H . SER A 1 96 ? -0.816 -36.098 -1.804 1.00 0.00 ? 96 SER A H 17 ATOM 25915 H HA . SER A 1 96 ? -0.315 -36.393 -4.639 1.00 0.00 ? 96 SER A HA 17 ATOM 25916 H HB2 . SER A 1 96 ? 0.743 -37.778 -2.726 1.00 0.00 ? 96 SER A HB2 17 ATOM 25917 H HB3 . SER A 1 96 ? -0.779 -38.668 -2.723 1.00 0.00 ? 96 SER A HB3 17 ATOM 25918 H HG . SER A 1 96 ? 1.060 -39.411 -4.136 1.00 0.00 ? 96 SER A HG 17 ATOM 25919 N N . GLY A 1 97 ? -3.042 -37.715 -3.307 1.00 0.00 ? 97 GLY A N 17 ATOM 25920 C CA . GLY A 1 97 ? -4.407 -38.098 -3.617 1.00 0.00 ? 97 GLY A CA 17 ATOM 25921 C C . GLY A 1 97 ? -5.093 -37.106 -4.535 1.00 0.00 ? 97 GLY A C 17 ATOM 25922 O O . GLY A 1 97 ? -5.814 -37.496 -5.453 1.00 0.00 ? 97 GLY A O 17 ATOM 25923 H H . GLY A 1 97 ? -2.689 -37.856 -2.403 1.00 0.00 ? 97 GLY A H 17 ATOM 25924 H HA2 . GLY A 1 97 ? -4.399 -39.067 -4.093 1.00 0.00 ? 97 GLY A HA2 17 ATOM 25925 H HA3 . GLY A 1 97 ? -4.968 -38.166 -2.696 1.00 0.00 ? 97 GLY A HA3 17 ATOM 25926 N N . GLY A 1 1 ? 1.830 20.581 19.292 1.00 0.00 ? 1 GLY A N 18 ATOM 25927 C CA . GLY A 1 1 ? 1.490 21.948 18.945 1.00 0.00 ? 1 GLY A CA 18 ATOM 25928 C C . GLY A 1 1 ? 0.017 22.247 19.138 1.00 0.00 ? 1 GLY A C 18 ATOM 25929 O O . GLY A 1 1 ? -0.546 21.971 20.198 1.00 0.00 ? 1 GLY A O 18 ATOM 25930 H H1 . GLY A 1 1 ? 1.122 19.906 19.365 1.00 0.00 ? 1 GLY A H1 18 ATOM 25931 H HA2 . GLY A 1 1 ? 2.067 22.619 19.564 1.00 0.00 ? 1 GLY A HA2 18 ATOM 25932 H HA3 . GLY A 1 1 ? 1.748 22.120 17.910 1.00 0.00 ? 1 GLY A HA3 18 ATOM 25933 N N . SER A 1 2 ? -0.610 22.815 18.113 1.00 0.00 ? 2 SER A N 18 ATOM 25934 C CA . SER A 1 2 ? -2.026 23.157 18.176 1.00 0.00 ? 2 SER A CA 18 ATOM 25935 C C . SER A 1 2 ? -2.872 22.100 17.472 1.00 0.00 ? 2 SER A C 18 ATOM 25936 O O . SER A 1 2 ? -2.343 21.191 16.832 1.00 0.00 ? 2 SER A O 18 ATOM 25937 C CB . SER A 1 2 ? -2.270 24.528 17.543 1.00 0.00 ? 2 SER A CB 18 ATOM 25938 O OG . SER A 1 2 ? -3.514 25.066 17.956 1.00 0.00 ? 2 SER A OG 18 ATOM 25939 H H . SER A 1 2 ? -0.106 23.010 17.294 1.00 0.00 ? 2 SER A H 18 ATOM 25940 H HA . SER A 1 2 ? -2.311 23.194 19.217 1.00 0.00 ? 2 SER A HA 18 ATOM 25941 H HB2 . SER A 1 2 ? -1.483 25.204 17.840 1.00 0.00 ? 2 SER A HB2 18 ATOM 25942 H HB3 . SER A 1 2 ? -2.273 24.429 16.467 1.00 0.00 ? 2 SER A HB3 18 ATOM 25943 H HG . SER A 1 2 ? -3.366 25.890 18.426 1.00 0.00 ? 2 SER A HG 18 ATOM 25944 N N . SER A 1 3 ? -4.189 22.228 17.594 1.00 0.00 ? 3 SER A N 18 ATOM 25945 C CA . SER A 1 3 ? -5.110 21.284 16.972 1.00 0.00 ? 3 SER A CA 18 ATOM 25946 C C . SER A 1 3 ? -5.928 21.962 15.878 1.00 0.00 ? 3 SER A C 18 ATOM 25947 O O . SER A 1 3 ? -7.055 22.399 16.110 1.00 0.00 ? 3 SER A O 18 ATOM 25948 C CB . SER A 1 3 ? -6.044 20.682 18.024 1.00 0.00 ? 3 SER A CB 18 ATOM 25949 O OG . SER A 1 3 ? -6.866 21.679 18.606 1.00 0.00 ? 3 SER A OG 18 ATOM 25950 H H . SER A 1 3 ? -4.550 22.975 18.116 1.00 0.00 ? 3 SER A H 18 ATOM 25951 H HA . SER A 1 3 ? -4.524 20.493 16.529 1.00 0.00 ? 3 SER A HA 18 ATOM 25952 H HB2 . SER A 1 3 ? -6.674 19.939 17.560 1.00 0.00 ? 3 SER A HB2 18 ATOM 25953 H HB3 . SER A 1 3 ? -5.454 20.219 18.802 1.00 0.00 ? 3 SER A HB3 18 ATOM 25954 H HG . SER A 1 3 ? -6.362 22.489 18.710 1.00 0.00 ? 3 SER A HG 18 ATOM 25955 N N . GLY A 1 4 ? -5.352 22.047 14.683 1.00 0.00 ? 4 GLY A N 18 ATOM 25956 C CA . GLY A 1 4 ? -6.040 22.674 13.570 1.00 0.00 ? 4 GLY A CA 18 ATOM 25957 C C . GLY A 1 4 ? -5.132 23.577 12.760 1.00 0.00 ? 4 GLY A C 18 ATOM 25958 O O . GLY A 1 4 ? -5.355 24.785 12.682 1.00 0.00 ? 4 GLY A O 18 ATOM 25959 H H . GLY A 1 4 ? -4.451 21.681 14.556 1.00 0.00 ? 4 GLY A H 18 ATOM 25960 H HA2 . GLY A 1 4 ? -6.433 21.903 12.924 1.00 0.00 ? 4 GLY A HA2 18 ATOM 25961 H HA3 . GLY A 1 4 ? -6.862 23.260 13.954 1.00 0.00 ? 4 GLY A HA3 18 ATOM 25962 N N . SER A 1 5 ? -4.102 22.991 12.156 1.00 0.00 ? 5 SER A N 18 ATOM 25963 C CA . SER A 1 5 ? -3.153 23.752 11.353 1.00 0.00 ? 5 SER A CA 18 ATOM 25964 C C . SER A 1 5 ? -3.423 23.557 9.864 1.00 0.00 ? 5 SER A C 18 ATOM 25965 O O . SER A 1 5 ? -3.969 22.535 9.449 1.00 0.00 ? 5 SER A O 18 ATOM 25966 C CB . SER A 1 5 ? -1.720 23.331 11.683 1.00 0.00 ? 5 SER A CB 18 ATOM 25967 O OG . SER A 1 5 ? -1.305 23.865 12.928 1.00 0.00 ? 5 SER A OG 18 ATOM 25968 H H . SER A 1 5 ? -3.978 22.024 12.256 1.00 0.00 ? 5 SER A H 18 ATOM 25969 H HA . SER A 1 5 ? -3.277 24.797 11.595 1.00 0.00 ? 5 SER A HA 18 ATOM 25970 H HB2 . SER A 1 5 ? -1.667 22.254 11.732 1.00 0.00 ? 5 SER A HB2 18 ATOM 25971 H HB3 . SER A 1 5 ? -1.055 23.690 10.911 1.00 0.00 ? 5 SER A HB3 18 ATOM 25972 H HG . SER A 1 5 ? -0.816 24.679 12.780 1.00 0.00 ? 5 SER A HG 18 ATOM 25973 N N . SER A 1 6 ? -3.035 24.546 9.064 1.00 0.00 ? 6 SER A N 18 ATOM 25974 C CA . SER A 1 6 ? -3.238 24.486 7.622 1.00 0.00 ? 6 SER A CA 18 ATOM 25975 C C . SER A 1 6 ? -2.283 23.484 6.980 1.00 0.00 ? 6 SER A C 18 ATOM 25976 O O . SER A 1 6 ? -1.082 23.497 7.244 1.00 0.00 ? 6 SER A O 18 ATOM 25977 C CB . SER A 1 6 ? -3.036 25.869 6.999 1.00 0.00 ? 6 SER A CB 18 ATOM 25978 O OG . SER A 1 6 ? -1.719 26.342 7.223 1.00 0.00 ? 6 SER A OG 18 ATOM 25979 H H . SER A 1 6 ? -2.605 25.336 9.455 1.00 0.00 ? 6 SER A H 18 ATOM 25980 H HA . SER A 1 6 ? -4.253 24.165 7.442 1.00 0.00 ? 6 SER A HA 18 ATOM 25981 H HB2 . SER A 1 6 ? -3.209 25.812 5.936 1.00 0.00 ? 6 SER A HB2 18 ATOM 25982 H HB3 . SER A 1 6 ? -3.735 26.565 7.441 1.00 0.00 ? 6 SER A HB3 18 ATOM 25983 H HG . SER A 1 6 ? -1.755 27.214 7.624 1.00 0.00 ? 6 SER A HG 18 ATOM 25984 N N . GLY A 1 7 ? -2.829 22.614 6.135 1.00 0.00 ? 7 GLY A N 18 ATOM 25985 C CA . GLY A 1 7 ? -2.013 21.616 5.468 1.00 0.00 ? 7 GLY A CA 18 ATOM 25986 C C . GLY A 1 7 ? -2.307 21.524 3.984 1.00 0.00 ? 7 GLY A C 18 ATOM 25987 O O . GLY A 1 7 ? -2.618 22.528 3.343 1.00 0.00 ? 7 GLY A O 18 ATOM 25988 H H . GLY A 1 7 ? -3.793 22.651 5.963 1.00 0.00 ? 7 GLY A H 18 ATOM 25989 H HA2 . GLY A 1 7 ? -0.972 21.869 5.604 1.00 0.00 ? 7 GLY A HA2 18 ATOM 25990 H HA3 . GLY A 1 7 ? -2.201 20.653 5.921 1.00 0.00 ? 7 GLY A HA3 18 ATOM 25991 N N . MET A 1 8 ? -2.206 20.318 3.436 1.00 0.00 ? 8 MET A N 18 ATOM 25992 C CA . MET A 1 8 ? -2.462 20.099 2.017 1.00 0.00 ? 8 MET A CA 18 ATOM 25993 C C . MET A 1 8 ? -3.501 19.000 1.816 1.00 0.00 ? 8 MET A C 18 ATOM 25994 O O . MET A 1 8 ? -3.276 18.053 1.063 1.00 0.00 ? 8 MET A O 18 ATOM 25995 C CB . MET A 1 8 ? -1.166 19.731 1.293 1.00 0.00 ? 8 MET A CB 18 ATOM 25996 C CG . MET A 1 8 ? -0.342 20.937 0.871 1.00 0.00 ? 8 MET A CG 18 ATOM 25997 S SD . MET A 1 8 ? -0.884 21.632 -0.702 1.00 0.00 ? 8 MET A SD 18 ATOM 25998 C CE . MET A 1 8 ? -0.070 20.531 -1.857 1.00 0.00 ? 8 MET A CE 18 ATOM 25999 H H . MET A 1 8 ? -1.953 19.556 3.998 1.00 0.00 ? 8 MET A H 18 ATOM 26000 H HA . MET A 1 8 ? -2.845 21.021 1.604 1.00 0.00 ? 8 MET A HA 18 ATOM 26001 H HB2 . MET A 1 8 ? -0.562 19.121 1.948 1.00 0.00 ? 8 MET A HB2 18 ATOM 26002 H HB3 . MET A 1 8 ? -1.411 19.162 0.408 1.00 0.00 ? 8 MET A HB3 18 ATOM 26003 H HG2 . MET A 1 8 ? -0.426 21.698 1.632 1.00 0.00 ? 8 MET A HG2 18 ATOM 26004 H HG3 . MET A 1 8 ? 0.691 20.635 0.779 1.00 0.00 ? 8 MET A HG3 18 ATOM 26005 H HE1 . MET A 1 8 ? 0.066 19.564 -1.398 1.00 0.00 ? 8 MET A HE1 18 ATOM 26006 H HE2 . MET A 1 8 ? -0.678 20.427 -2.744 1.00 0.00 ? 8 MET A HE2 18 ATOM 26007 H HE3 . MET A 1 8 ? 0.893 20.941 -2.127 1.00 0.00 ? 8 MET A HE3 18 ATOM 26008 N N . GLU A 1 9 ? -4.637 19.134 2.493 1.00 0.00 ? 9 GLU A N 18 ATOM 26009 C CA . GLU A 1 9 ? -5.709 18.151 2.388 1.00 0.00 ? 9 GLU A CA 18 ATOM 26010 C C . GLU A 1 9 ? -6.030 17.851 0.927 1.00 0.00 ? 9 GLU A C 18 ATOM 26011 O O . GLU A 1 9 ? -6.364 16.721 0.573 1.00 0.00 ? 9 GLU A O 18 ATOM 26012 C CB . GLU A 1 9 ? -6.964 18.653 3.105 1.00 0.00 ? 9 GLU A CB 18 ATOM 26013 C CG . GLU A 1 9 ? -6.864 18.593 4.620 1.00 0.00 ? 9 GLU A CG 18 ATOM 26014 C CD . GLU A 1 9 ? -5.728 19.438 5.163 1.00 0.00 ? 9 GLU A CD 18 ATOM 26015 O OE1 . GLU A 1 9 ? -5.943 20.646 5.392 1.00 0.00 ? 9 GLU A OE1 18 ATOM 26016 O OE2 . GLU A 1 9 ? -4.623 18.889 5.360 1.00 0.00 ? 9 GLU A OE2 18 ATOM 26017 H H . GLU A 1 9 ? -4.757 19.911 3.077 1.00 0.00 ? 9 GLU A H 18 ATOM 26018 H HA . GLU A 1 9 ? -5.373 17.242 2.864 1.00 0.00 ? 9 GLU A HA 18 ATOM 26019 H HB2 . GLU A 1 9 ? -7.143 19.678 2.816 1.00 0.00 ? 9 GLU A HB2 18 ATOM 26020 H HB3 . GLU A 1 9 ? -7.805 18.049 2.797 1.00 0.00 ? 9 GLU A HB3 18 ATOM 26021 H HG2 . GLU A 1 9 ? -7.791 18.950 5.043 1.00 0.00 ? 9 GLU A HG2 18 ATOM 26022 H HG3 . GLU A 1 9 ? -6.705 17.567 4.917 1.00 0.00 ? 9 GLU A HG3 18 ATOM 26023 N N . GLY A 1 10 ? -5.926 18.872 0.082 1.00 0.00 ? 10 GLY A N 18 ATOM 26024 C CA . GLY A 1 10 ? -6.210 18.698 -1.331 1.00 0.00 ? 10 GLY A CA 18 ATOM 26025 C C . GLY A 1 10 ? -5.714 17.368 -1.862 1.00 0.00 ? 10 GLY A C 18 ATOM 26026 O O . GLY A 1 10 ? -6.468 16.402 -1.979 1.00 0.00 ? 10 GLY A O 18 ATOM 26027 H H . GLY A 1 10 ? -5.655 19.751 0.421 1.00 0.00 ? 10 GLY A H 18 ATOM 26028 H HA2 . GLY A 1 10 ? -7.277 18.760 -1.483 1.00 0.00 ? 10 GLY A HA2 18 ATOM 26029 H HA3 . GLY A 1 10 ? -5.731 19.494 -1.883 1.00 0.00 ? 10 GLY A HA3 18 ATOM 26030 N N . PRO A 1 11 ? -4.417 17.306 -2.196 1.00 0.00 ? 11 PRO A N 18 ATOM 26031 C CA . PRO A 1 11 ? -3.792 16.090 -2.725 1.00 0.00 ? 11 PRO A CA 18 ATOM 26032 C C . PRO A 1 11 ? -3.674 14.994 -1.671 1.00 0.00 ? 11 PRO A C 18 ATOM 26033 O O . PRO A 1 11 ? -3.853 13.812 -1.967 1.00 0.00 ? 11 PRO A O 18 ATOM 26034 C CB . PRO A 1 11 ? -2.404 16.564 -3.161 1.00 0.00 ? 11 PRO A CB 18 ATOM 26035 C CG . PRO A 1 11 ? -2.128 17.758 -2.313 1.00 0.00 ? 11 PRO A CG 18 ATOM 26036 C CD . PRO A 1 11 ? -3.459 18.419 -2.083 1.00 0.00 ? 11 PRO A CD 18 ATOM 26037 H HA . PRO A 1 11 ? -4.329 15.708 -3.581 1.00 0.00 ? 11 PRO A HA 18 ATOM 26038 H HB2 . PRO A 1 11 ? -1.681 15.779 -2.986 1.00 0.00 ? 11 PRO A HB2 18 ATOM 26039 H HB3 . PRO A 1 11 ? -2.420 16.820 -4.209 1.00 0.00 ? 11 PRO A HB3 18 ATOM 26040 H HG2 . PRO A 1 11 ? -1.695 17.449 -1.373 1.00 0.00 ? 11 PRO A HG2 18 ATOM 26041 H HG3 . PRO A 1 11 ? -1.461 18.430 -2.832 1.00 0.00 ? 11 PRO A HG3 18 ATOM 26042 H HD2 . PRO A 1 11 ? -3.495 18.861 -1.098 1.00 0.00 ? 11 PRO A HD2 18 ATOM 26043 H HD3 . PRO A 1 11 ? -3.645 19.166 -2.841 1.00 0.00 ? 11 PRO A HD3 18 ATOM 26044 N N . LEU A 1 12 ? -3.373 15.393 -0.440 1.00 0.00 ? 12 LEU A N 18 ATOM 26045 C CA . LEU A 1 12 ? -3.232 14.444 0.659 1.00 0.00 ? 12 LEU A CA 18 ATOM 26046 C C . LEU A 1 12 ? -4.396 13.459 0.681 1.00 0.00 ? 12 LEU A C 18 ATOM 26047 O O . LEU A 1 12 ? -4.208 12.257 0.496 1.00 0.00 ? 12 LEU A O 18 ATOM 26048 C CB . LEU A 1 12 ? -3.153 15.188 1.993 1.00 0.00 ? 12 LEU A CB 18 ATOM 26049 C CG . LEU A 1 12 ? -1.753 15.606 2.447 1.00 0.00 ? 12 LEU A CG 18 ATOM 26050 C CD1 . LEU A 1 12 ? -1.830 16.438 3.717 1.00 0.00 ? 12 LEU A CD1 18 ATOM 26051 C CD2 . LEU A 1 12 ? -0.875 14.382 2.662 1.00 0.00 ? 12 LEU A CD2 18 ATOM 26052 H H . LEU A 1 12 ? -3.243 16.348 -0.265 1.00 0.00 ? 12 LEU A H 18 ATOM 26053 H HA . LEU A 1 12 ? -2.314 13.895 0.507 1.00 0.00 ? 12 LEU A HA 18 ATOM 26054 H HB2 . LEU A 1 12 ? -3.753 16.080 1.911 1.00 0.00 ? 12 LEU A HB2 18 ATOM 26055 H HB3 . LEU A 1 12 ? -3.570 14.544 2.755 1.00 0.00 ? 12 LEU A HB3 18 ATOM 26056 H HG . LEU A 1 12 ? -1.299 16.214 1.677 1.00 0.00 ? 12 LEU A HG 18 ATOM 26057 H HD11 . LEU A 1 12 ? -2.177 15.821 4.532 1.00 0.00 ? 12 LEU A HD11 18 ATOM 26058 H HD12 . LEU A 1 12 ? -2.518 17.258 3.569 1.00 0.00 ? 12 LEU A HD12 18 ATOM 26059 H HD13 . LEU A 1 12 ? -0.851 16.829 3.951 1.00 0.00 ? 12 LEU A HD13 18 ATOM 26060 H HD21 . LEU A 1 12 ? -0.558 13.994 1.705 1.00 0.00 ? 12 LEU A HD21 18 ATOM 26061 H HD22 . LEU A 1 12 ? -1.436 13.624 3.189 1.00 0.00 ? 12 LEU A HD22 18 ATOM 26062 H HD23 . LEU A 1 12 ? -0.008 14.659 3.243 1.00 0.00 ? 12 LEU A HD23 18 ATOM 26063 N N . ASN A 1 13 ? -5.599 13.977 0.906 1.00 0.00 ? 13 ASN A N 18 ATOM 26064 C CA . ASN A 1 13 ? -6.794 13.143 0.950 1.00 0.00 ? 13 ASN A CA 18 ATOM 26065 C C . ASN A 1 13 ? -6.691 11.991 -0.044 1.00 0.00 ? 13 ASN A C 18 ATOM 26066 O O . ASN A 1 13 ? -6.617 10.824 0.347 1.00 0.00 ? 13 ASN A O 18 ATOM 26067 C CB . ASN A 1 13 ? -8.038 13.982 0.648 1.00 0.00 ? 13 ASN A CB 18 ATOM 26068 C CG . ASN A 1 13 ? -9.296 13.389 1.253 1.00 0.00 ? 13 ASN A CG 18 ATOM 26069 O OD1 . ASN A 1 13 ? -9.997 12.606 0.613 1.00 0.00 ? 13 ASN A OD1 18 ATOM 26070 N ND2 . ASN A 1 13 ? -9.588 13.763 2.494 1.00 0.00 ? 13 ASN A ND2 18 ATOM 26071 H H . ASN A 1 13 ? -5.685 14.943 1.046 1.00 0.00 ? 13 ASN A H 18 ATOM 26072 H HA . ASN A 1 13 ? -6.879 12.738 1.947 1.00 0.00 ? 13 ASN A HA 18 ATOM 26073 H HB2 . ASN A 1 13 ? -7.902 14.975 1.050 1.00 0.00 ? 13 ASN A HB2 18 ATOM 26074 H HB3 . ASN A 1 13 ? -8.171 14.046 -0.422 1.00 0.00 ? 13 ASN A HB3 18 ATOM 26075 H HD21 . ASN A 1 13 ? -8.983 14.390 2.943 1.00 0.00 ? 13 ASN A HD21 18 ATOM 26076 H HD22 . ASN A 1 13 ? -10.395 13.394 2.910 1.00 0.00 ? 13 ASN A HD22 18 ATOM 26077 N N . LEU A 1 14 ? -6.684 12.324 -1.329 1.00 0.00 ? 14 LEU A N 18 ATOM 26078 C CA . LEU A 1 14 ? -6.589 11.317 -2.381 1.00 0.00 ? 14 LEU A CA 18 ATOM 26079 C C . LEU A 1 14 ? -5.638 10.196 -1.975 1.00 0.00 ? 14 LEU A C 18 ATOM 26080 O O . LEU A 1 14 ? -5.892 9.023 -2.250 1.00 0.00 ? 14 LEU A O 18 ATOM 26081 C CB . LEU A 1 14 ? -6.113 11.958 -3.686 1.00 0.00 ? 14 LEU A CB 18 ATOM 26082 C CG . LEU A 1 14 ? -7.207 12.515 -4.598 1.00 0.00 ? 14 LEU A CG 18 ATOM 26083 C CD1 . LEU A 1 14 ? -6.667 13.658 -5.442 1.00 0.00 ? 14 LEU A CD1 18 ATOM 26084 C CD2 . LEU A 1 14 ? -7.773 11.415 -5.484 1.00 0.00 ? 14 LEU A CD2 18 ATOM 26085 H H . LEU A 1 14 ? -6.745 13.269 -1.579 1.00 0.00 ? 14 LEU A H 18 ATOM 26086 H HA . LEU A 1 14 ? -7.573 10.901 -2.531 1.00 0.00 ? 14 LEU A HA 18 ATOM 26087 H HB2 . LEU A 1 14 ? -5.449 12.769 -3.433 1.00 0.00 ? 14 LEU A HB2 18 ATOM 26088 H HB3 . LEU A 1 14 ? -5.568 11.208 -4.242 1.00 0.00 ? 14 LEU A HB3 18 ATOM 26089 H HG . LEU A 1 14 ? -8.012 12.902 -3.988 1.00 0.00 ? 14 LEU A HG 18 ATOM 26090 H HD11 . LEU A 1 14 ? -7.359 13.873 -6.242 1.00 0.00 ? 14 LEU A HD11 18 ATOM 26091 H HD12 . LEU A 1 14 ? -5.711 13.377 -5.860 1.00 0.00 ? 14 LEU A HD12 18 ATOM 26092 H HD13 . LEU A 1 14 ? -6.545 14.536 -4.824 1.00 0.00 ? 14 LEU A HD13 18 ATOM 26093 H HD21 . LEU A 1 14 ? -8.509 10.850 -4.931 1.00 0.00 ? 14 LEU A HD21 18 ATOM 26094 H HD22 . LEU A 1 14 ? -6.975 10.758 -5.797 1.00 0.00 ? 14 LEU A HD22 18 ATOM 26095 H HD23 . LEU A 1 14 ? -8.237 11.857 -6.354 1.00 0.00 ? 14 LEU A HD23 18 ATOM 26096 N N . ALA A 1 15 ? -4.542 10.564 -1.318 1.00 0.00 ? 15 ALA A N 18 ATOM 26097 C CA . ALA A 1 15 ? -3.556 9.588 -0.871 1.00 0.00 ? 15 ALA A CA 18 ATOM 26098 C C . ALA A 1 15 ? -4.125 8.694 0.225 1.00 0.00 ? 15 ALA A C 18 ATOM 26099 O O . ALA A 1 15 ? -3.951 7.476 0.200 1.00 0.00 ? 15 ALA A O 18 ATOM 26100 C CB . ALA A 1 15 ? -2.301 10.295 -0.380 1.00 0.00 ? 15 ALA A CB 18 ATOM 26101 H H . ALA A 1 15 ? -4.396 11.514 -1.129 1.00 0.00 ? 15 ALA A H 18 ATOM 26102 H HA . ALA A 1 15 ? -3.286 8.974 -1.718 1.00 0.00 ? 15 ALA A HA 18 ATOM 26103 H HB1 . ALA A 1 15 ? -2.209 11.250 -0.876 1.00 0.00 ? 15 ALA A HB1 18 ATOM 26104 H HB2 . ALA A 1 15 ? -2.367 10.447 0.687 1.00 0.00 ? 15 ALA A HB2 18 ATOM 26105 H HB3 . ALA A 1 15 ? -1.436 9.688 -0.605 1.00 0.00 ? 15 ALA A HB3 18 ATOM 26106 N N . HIS A 1 16 ? -4.806 9.308 1.188 1.00 0.00 ? 16 HIS A N 18 ATOM 26107 C CA . HIS A 1 16 ? -5.402 8.566 2.294 1.00 0.00 ? 16 HIS A CA 18 ATOM 26108 C C . HIS A 1 16 ? -6.300 7.447 1.777 1.00 0.00 ? 16 HIS A C 18 ATOM 26109 O O . HIS A 1 16 ? -6.316 6.347 2.329 1.00 0.00 ? 16 HIS A O 18 ATOM 26110 C CB . HIS A 1 16 ? -6.205 9.507 3.192 1.00 0.00 ? 16 HIS A CB 18 ATOM 26111 C CG . HIS A 1 16 ? -5.363 10.522 3.903 1.00 0.00 ? 16 HIS A CG 18 ATOM 26112 N ND1 . HIS A 1 16 ? -4.911 10.353 5.195 1.00 0.00 ? 16 HIS A ND1 18 ATOM 26113 C CD2 . HIS A 1 16 ? -4.889 11.722 3.494 1.00 0.00 ? 16 HIS A CD2 18 ATOM 26114 C CE1 . HIS A 1 16 ? -4.197 11.406 5.550 1.00 0.00 ? 16 HIS A CE1 18 ATOM 26115 N NE2 . HIS A 1 16 ? -4.168 12.251 4.536 1.00 0.00 ? 16 HIS A NE2 18 ATOM 26116 H H . HIS A 1 16 ? -4.911 10.281 1.153 1.00 0.00 ? 16 HIS A H 18 ATOM 26117 H HA . HIS A 1 16 ? -4.600 8.130 2.871 1.00 0.00 ? 16 HIS A HA 18 ATOM 26118 H HB2 . HIS A 1 16 ? -6.927 10.039 2.591 1.00 0.00 ? 16 HIS A HB2 18 ATOM 26119 H HB3 . HIS A 1 16 ? -6.725 8.925 3.939 1.00 0.00 ? 16 HIS A HB3 18 ATOM 26120 H HD1 . HIS A 1 16 ? -5.088 9.577 5.766 1.00 0.00 ? 16 HIS A HD1 18 ATOM 26121 H HD2 . HIS A 1 16 ? -5.049 12.180 2.528 1.00 0.00 ? 16 HIS A HD2 18 ATOM 26122 H HE1 . HIS A 1 16 ? -3.717 11.551 6.507 1.00 0.00 ? 16 HIS A HE1 18 ATOM 26123 H HE2 . HIS A 1 16 ? -3.779 13.150 4.561 1.00 0.00 ? 16 HIS A HE2 18 ATOM 26124 N N . GLN A 1 17 ? -7.047 7.736 0.716 1.00 0.00 ? 17 GLN A N 18 ATOM 26125 C CA . GLN A 1 17 ? -7.948 6.754 0.127 1.00 0.00 ? 17 GLN A CA 18 ATOM 26126 C C . GLN A 1 17 ? -7.191 5.494 -0.280 1.00 0.00 ? 17 GLN A C 18 ATOM 26127 O O . GLN A 1 17 ? -7.479 4.402 0.207 1.00 0.00 ? 17 GLN A O 18 ATOM 26128 C CB . GLN A 1 17 ? -8.661 7.349 -1.089 1.00 0.00 ? 17 GLN A CB 18 ATOM 26129 C CG . GLN A 1 17 ? -9.866 8.204 -0.729 1.00 0.00 ? 17 GLN A CG 18 ATOM 26130 C CD . GLN A 1 17 ? -10.631 8.678 -1.949 1.00 0.00 ? 17 GLN A CD 18 ATOM 26131 O OE1 . GLN A 1 17 ? -11.676 8.125 -2.294 1.00 0.00 ? 17 GLN A OE1 18 ATOM 26132 N NE2 . GLN A 1 17 ? -10.113 9.707 -2.610 1.00 0.00 ? 17 GLN A NE2 18 ATOM 26133 H H . GLN A 1 17 ? -6.990 8.631 0.321 1.00 0.00 ? 17 GLN A H 18 ATOM 26134 H HA . GLN A 1 17 ? -8.685 6.491 0.871 1.00 0.00 ? 17 GLN A HA 18 ATOM 26135 H HB2 . GLN A 1 17 ? -7.962 7.963 -1.636 1.00 0.00 ? 17 GLN A HB2 18 ATOM 26136 H HB3 . GLN A 1 17 ? -8.996 6.544 -1.725 1.00 0.00 ? 17 GLN A HB3 18 ATOM 26137 H HG2 . GLN A 1 17 ? -10.532 7.622 -0.110 1.00 0.00 ? 17 GLN A HG2 18 ATOM 26138 H HG3 . GLN A 1 17 ? -9.526 9.068 -0.177 1.00 0.00 ? 17 GLN A HG3 18 ATOM 26139 H HE21 . GLN A 1 17 ? -9.277 10.096 -2.278 1.00 0.00 ? 17 GLN A HE21 18 ATOM 26140 H HE22 . GLN A 1 17 ? -10.586 10.033 -3.403 1.00 0.00 ? 17 GLN A HE22 18 ATOM 26141 N N . GLN A 1 18 ? -6.222 5.656 -1.176 1.00 0.00 ? 18 GLN A N 18 ATOM 26142 C CA . GLN A 1 18 ? -5.424 4.531 -1.649 1.00 0.00 ? 18 GLN A CA 18 ATOM 26143 C C . GLN A 1 18 ? -4.907 3.700 -0.478 1.00 0.00 ? 18 GLN A C 18 ATOM 26144 O O . GLN A 1 18 ? -5.026 2.475 -0.475 1.00 0.00 ? 18 GLN A O 18 ATOM 26145 C CB . GLN A 1 18 ? -4.249 5.030 -2.492 1.00 0.00 ? 18 GLN A CB 18 ATOM 26146 C CG . GLN A 1 18 ? -4.670 5.641 -3.819 1.00 0.00 ? 18 GLN A CG 18 ATOM 26147 C CD . GLN A 1 18 ? -4.856 4.601 -4.907 1.00 0.00 ? 18 GLN A CD 18 ATOM 26148 O OE1 . GLN A 1 18 ? -5.979 4.312 -5.320 1.00 0.00 ? 18 GLN A OE1 18 ATOM 26149 N NE2 . GLN A 1 18 ? -3.752 4.033 -5.378 1.00 0.00 ? 18 GLN A NE2 18 ATOM 26150 H H . GLN A 1 18 ? -6.040 6.552 -1.527 1.00 0.00 ? 18 GLN A H 18 ATOM 26151 H HA . GLN A 1 18 ? -6.058 3.910 -2.263 1.00 0.00 ? 18 GLN A HA 18 ATOM 26152 H HB2 . GLN A 1 18 ? -3.711 5.779 -1.931 1.00 0.00 ? 18 GLN A HB2 18 ATOM 26153 H HB3 . GLN A 1 18 ? -3.590 4.200 -2.696 1.00 0.00 ? 18 GLN A HB3 18 ATOM 26154 H HG2 . GLN A 1 18 ? -5.604 6.164 -3.680 1.00 0.00 ? 18 GLN A HG2 18 ATOM 26155 H HG3 . GLN A 1 18 ? -3.911 6.340 -4.136 1.00 0.00 ? 18 GLN A HG3 18 ATOM 26156 H HE21 . GLN A 1 18 ? -2.891 4.312 -5.001 1.00 0.00 ? 18 GLN A HE21 18 ATOM 26157 H HE22 . GLN A 1 18 ? -3.843 3.358 -6.081 1.00 0.00 ? 18 GLN A HE22 18 ATOM 26158 N N . SER A 1 19 ? -4.334 4.375 0.513 1.00 0.00 ? 19 SER A N 18 ATOM 26159 C CA . SER A 1 19 ? -3.796 3.698 1.687 1.00 0.00 ? 19 SER A CA 18 ATOM 26160 C C . SER A 1 19 ? -4.826 2.745 2.285 1.00 0.00 ? 19 SER A C 18 ATOM 26161 O O . SER A 1 19 ? -4.494 1.633 2.695 1.00 0.00 ? 19 SER A O 18 ATOM 26162 C CB . SER A 1 19 ? -3.362 4.722 2.738 1.00 0.00 ? 19 SER A CB 18 ATOM 26163 O OG . SER A 1 19 ? -2.568 4.116 3.743 1.00 0.00 ? 19 SER A OG 18 ATOM 26164 H H . SER A 1 19 ? -4.270 5.351 0.451 1.00 0.00 ? 19 SER A H 18 ATOM 26165 H HA . SER A 1 19 ? -2.933 3.128 1.375 1.00 0.00 ? 19 SER A HA 18 ATOM 26166 H HB2 . SER A 1 19 ? -2.785 5.501 2.261 1.00 0.00 ? 19 SER A HB2 18 ATOM 26167 H HB3 . SER A 1 19 ? -4.238 5.155 3.198 1.00 0.00 ? 19 SER A HB3 18 ATOM 26168 H HG . SER A 1 19 ? -1.871 4.720 4.008 1.00 0.00 ? 19 SER A HG 18 ATOM 26169 N N . ARG A 1 20 ? -6.078 3.189 2.330 1.00 0.00 ? 20 ARG A N 18 ATOM 26170 C CA . ARG A 1 20 ? -7.157 2.377 2.878 1.00 0.00 ? 20 ARG A CA 18 ATOM 26171 C C . ARG A 1 20 ? -7.370 1.119 2.041 1.00 0.00 ? 20 ARG A C 18 ATOM 26172 O O . ARG A 1 20 ? -7.679 0.053 2.572 1.00 0.00 ? 20 ARG A O 18 ATOM 26173 C CB . ARG A 1 20 ? -8.453 3.187 2.939 1.00 0.00 ? 20 ARG A CB 18 ATOM 26174 C CG . ARG A 1 20 ? -8.590 4.022 4.202 1.00 0.00 ? 20 ARG A CG 18 ATOM 26175 C CD . ARG A 1 20 ? -9.955 4.689 4.284 1.00 0.00 ? 20 ARG A CD 18 ATOM 26176 N NE . ARG A 1 20 ? -10.316 5.030 5.657 1.00 0.00 ? 20 ARG A NE 18 ATOM 26177 C CZ . ARG A 1 20 ? -10.873 4.173 6.505 1.00 0.00 ? 20 ARG A CZ 18 ATOM 26178 N NH1 . ARG A 1 20 ? -11.132 2.930 6.122 1.00 0.00 ? 20 ARG A NH1 18 ATOM 26179 N NH2 . ARG A 1 20 ? -11.173 4.558 7.739 1.00 0.00 ? 20 ARG A NH2 18 ATOM 26180 H H . ARG A 1 20 ? -6.280 4.085 1.987 1.00 0.00 ? 20 ARG A H 18 ATOM 26181 H HA . ARG A 1 20 ? -6.877 2.085 3.879 1.00 0.00 ? 20 ARG A HA 18 ATOM 26182 H HB2 . ARG A 1 20 ? -8.489 3.853 2.089 1.00 0.00 ? 20 ARG A HB2 18 ATOM 26183 H HB3 . ARG A 1 20 ? -9.291 2.508 2.890 1.00 0.00 ? 20 ARG A HB3 18 ATOM 26184 H HG2 . ARG A 1 20 ? -8.464 3.380 5.062 1.00 0.00 ? 20 ARG A HG2 18 ATOM 26185 H HG3 . ARG A 1 20 ? -7.826 4.784 4.204 1.00 0.00 ? 20 ARG A HG3 18 ATOM 26186 H HD2 . ARG A 1 20 ? -9.935 5.592 3.692 1.00 0.00 ? 20 ARG A HD2 18 ATOM 26187 H HD3 . ARG A 1 20 ? -10.695 4.012 3.884 1.00 0.00 ? 20 ARG A HD3 18 ATOM 26188 H HE . ARG A 1 20 ? -10.133 5.943 5.961 1.00 0.00 ? 20 ARG A HE 18 ATOM 26189 H HH11 . ARG A 1 20 ? -10.906 2.637 5.194 1.00 0.00 ? 20 ARG A HH11 18 ATOM 26190 H HH12 . ARG A 1 20 ? -11.551 2.286 6.763 1.00 0.00 ? 20 ARG A HH12 18 ATOM 26191 H HH21 . ARG A 1 20 ? -10.980 5.494 8.031 1.00 0.00 ? 20 ARG A HH21 18 ATOM 26192 H HH22 . ARG A 1 20 ? -11.593 3.912 8.376 1.00 0.00 ? 20 ARG A HH22 18 ATOM 26193 N N . ARG A 1 21 ? -7.204 1.253 0.729 1.00 0.00 ? 21 ARG A N 18 ATOM 26194 C CA . ARG A 1 21 ? -7.380 0.128 -0.182 1.00 0.00 ? 21 ARG A CA 18 ATOM 26195 C C . ARG A 1 21 ? -6.325 -0.946 0.071 1.00 0.00 ? 21 ARG A C 18 ATOM 26196 O O . ARG A 1 21 ? -6.646 -2.128 0.193 1.00 0.00 ? 21 ARG A O 18 ATOM 26197 C CB . ARG A 1 21 ? -7.302 0.603 -1.634 1.00 0.00 ? 21 ARG A CB 18 ATOM 26198 C CG . ARG A 1 21 ? -7.161 -0.529 -2.638 1.00 0.00 ? 21 ARG A CG 18 ATOM 26199 C CD . ARG A 1 21 ? -7.165 -0.010 -4.067 1.00 0.00 ? 21 ARG A CD 18 ATOM 26200 N NE . ARG A 1 21 ? -7.270 -1.092 -5.043 1.00 0.00 ? 21 ARG A NE 18 ATOM 26201 C CZ . ARG A 1 21 ? -8.413 -1.691 -5.356 1.00 0.00 ? 21 ARG A CZ 18 ATOM 26202 N NH1 . ARG A 1 21 ? -9.543 -1.316 -4.773 1.00 0.00 ? 21 ARG A NH1 18 ATOM 26203 N NH2 . ARG A 1 21 ? -8.427 -2.668 -6.253 1.00 0.00 ? 21 ARG A NH2 18 ATOM 26204 H H . ARG A 1 21 ? -6.957 2.128 0.365 1.00 0.00 ? 21 ARG A H 18 ATOM 26205 H HA . ARG A 1 21 ? -8.357 -0.295 -0.002 1.00 0.00 ? 21 ARG A HA 18 ATOM 26206 H HB2 . ARG A 1 21 ? -8.200 1.154 -1.869 1.00 0.00 ? 21 ARG A HB2 18 ATOM 26207 H HB3 . ARG A 1 21 ? -6.449 1.257 -1.740 1.00 0.00 ? 21 ARG A HB3 18 ATOM 26208 H HG2 . ARG A 1 21 ? -6.230 -1.046 -2.457 1.00 0.00 ? 21 ARG A HG2 18 ATOM 26209 H HG3 . ARG A 1 21 ? -7.986 -1.215 -2.511 1.00 0.00 ? 21 ARG A HG3 18 ATOM 26210 H HD2 . ARG A 1 21 ? -8.006 0.656 -4.192 1.00 0.00 ? 21 ARG A HD2 18 ATOM 26211 H HD3 . ARG A 1 21 ? -6.248 0.532 -4.241 1.00 0.00 ? 21 ARG A HD3 18 ATOM 26212 H HE . ARG A 1 21 ? -6.446 -1.385 -5.485 1.00 0.00 ? 21 ARG A HE 18 ATOM 26213 H HH11 . ARG A 1 21 ? -9.536 -0.579 -4.097 1.00 0.00 ? 21 ARG A HH11 18 ATOM 26214 H HH12 . ARG A 1 21 ? -10.403 -1.768 -5.012 1.00 0.00 ? 21 ARG A HH12 18 ATOM 26215 H HH21 . ARG A 1 21 ? -7.577 -2.954 -6.695 1.00 0.00 ? 21 ARG A HH21 18 ATOM 26216 H HH22 . ARG A 1 21 ? -9.288 -3.119 -6.488 1.00 0.00 ? 21 ARG A HH22 18 ATOM 26217 N N . ALA A 1 22 ? -5.067 -0.526 0.146 1.00 0.00 ? 22 ALA A N 18 ATOM 26218 C CA . ALA A 1 22 ? -3.966 -1.451 0.385 1.00 0.00 ? 22 ALA A CA 18 ATOM 26219 C C . ALA A 1 22 ? -4.281 -2.392 1.544 1.00 0.00 ? 22 ALA A C 18 ATOM 26220 O O . ALA A 1 22 ? -4.054 -3.598 1.456 1.00 0.00 ? 22 ALA A O 18 ATOM 26221 C CB . ALA A 1 22 ? -2.681 -0.683 0.661 1.00 0.00 ? 22 ALA A CB 18 ATOM 26222 H H . ALA A 1 22 ? -4.874 0.428 0.040 1.00 0.00 ? 22 ALA A H 18 ATOM 26223 H HA . ALA A 1 22 ? -3.821 -2.037 -0.511 1.00 0.00 ? 22 ALA A HA 18 ATOM 26224 H HB1 . ALA A 1 22 ? -1.910 -1.018 -0.018 1.00 0.00 ? 22 ALA A HB1 18 ATOM 26225 H HB2 . ALA A 1 22 ? -2.855 0.372 0.516 1.00 0.00 ? 22 ALA A HB2 18 ATOM 26226 H HB3 . ALA A 1 22 ? -2.367 -0.861 1.678 1.00 0.00 ? 22 ALA A HB3 18 ATOM 26227 N N . ASP A 1 23 ? -4.803 -1.831 2.629 1.00 0.00 ? 23 ASP A N 18 ATOM 26228 C CA . ASP A 1 23 ? -5.150 -2.620 3.806 1.00 0.00 ? 23 ASP A CA 18 ATOM 26229 C C . ASP A 1 23 ? -6.214 -3.660 3.469 1.00 0.00 ? 23 ASP A C 18 ATOM 26230 O O . ASP A 1 23 ? -5.970 -4.863 3.554 1.00 0.00 ? 23 ASP A O 18 ATOM 26231 C CB . ASP A 1 23 ? -5.646 -1.709 4.929 1.00 0.00 ? 23 ASP A CB 18 ATOM 26232 C CG . ASP A 1 23 ? -6.369 -2.476 6.020 1.00 0.00 ? 23 ASP A CG 18 ATOM 26233 O OD1 . ASP A 1 23 ? -7.573 -2.758 5.848 1.00 0.00 ? 23 ASP A OD1 18 ATOM 26234 O OD2 . ASP A 1 23 ? -5.730 -2.792 7.045 1.00 0.00 ? 23 ASP A OD2 18 ATOM 26235 H H . ASP A 1 23 ? -4.961 -0.864 2.639 1.00 0.00 ? 23 ASP A H 18 ATOM 26236 H HA . ASP A 1 23 ? -4.258 -3.131 4.137 1.00 0.00 ? 23 ASP A HA 18 ATOM 26237 H HB2 . ASP A 1 23 ? -4.802 -1.201 5.371 1.00 0.00 ? 23 ASP A HB2 18 ATOM 26238 H HB3 . ASP A 1 23 ? -6.326 -0.978 4.517 1.00 0.00 ? 23 ASP A HB3 18 ATOM 26239 N N . ARG A 1 24 ? -7.396 -3.187 3.087 1.00 0.00 ? 24 ARG A N 18 ATOM 26240 C CA . ARG A 1 24 ? -8.498 -4.075 2.739 1.00 0.00 ? 24 ARG A CA 18 ATOM 26241 C C . ARG A 1 24 ? -8.015 -5.223 1.858 1.00 0.00 ? 24 ARG A C 18 ATOM 26242 O O . ARG A 1 24 ? -8.570 -6.322 1.891 1.00 0.00 ? 24 ARG A O 18 ATOM 26243 C CB . ARG A 1 24 ? -9.602 -3.296 2.021 1.00 0.00 ? 24 ARG A CB 18 ATOM 26244 C CG . ARG A 1 24 ? -10.413 -2.400 2.942 1.00 0.00 ? 24 ARG A CG 18 ATOM 26245 C CD . ARG A 1 24 ? -11.603 -3.139 3.534 1.00 0.00 ? 24 ARG A CD 18 ATOM 26246 N NE . ARG A 1 24 ? -12.682 -2.229 3.908 1.00 0.00 ? 24 ARG A NE 18 ATOM 26247 C CZ . ARG A 1 24 ? -13.806 -2.624 4.494 1.00 0.00 ? 24 ARG A CZ 18 ATOM 26248 N NH1 . ARG A 1 24 ? -13.998 -3.906 4.772 1.00 0.00 ? 24 ARG A NH1 18 ATOM 26249 N NH2 . ARG A 1 24 ? -14.742 -1.736 4.804 1.00 0.00 ? 24 ARG A NH2 18 ATOM 26250 H H . ARG A 1 24 ? -7.530 -2.217 3.038 1.00 0.00 ? 24 ARG A H 18 ATOM 26251 H HA . ARG A 1 24 ? -8.897 -4.484 3.656 1.00 0.00 ? 24 ARG A HA 18 ATOM 26252 H HB2 . ARG A 1 24 ? -9.152 -2.678 1.258 1.00 0.00 ? 24 ARG A HB2 18 ATOM 26253 H HB3 . ARG A 1 24 ? -10.275 -3.999 1.553 1.00 0.00 ? 24 ARG A HB3 18 ATOM 26254 H HG2 . ARG A 1 24 ? -9.779 -2.058 3.747 1.00 0.00 ? 24 ARG A HG2 18 ATOM 26255 H HG3 . ARG A 1 24 ? -10.771 -1.551 2.378 1.00 0.00 ? 24 ARG A HG3 18 ATOM 26256 H HD2 . ARG A 1 24 ? -11.974 -3.841 2.802 1.00 0.00 ? 24 ARG A HD2 18 ATOM 26257 H HD3 . ARG A 1 24 ? -11.275 -3.675 4.412 1.00 0.00 ? 24 ARG A HD3 18 ATOM 26258 H HE . ARG A 1 24 ? -12.561 -1.277 3.711 1.00 0.00 ? 24 ARG A HE 18 ATOM 26259 H HH11 . ARG A 1 24 ? -13.294 -4.577 4.541 1.00 0.00 ? 24 ARG A HH11 18 ATOM 26260 H HH12 . ARG A 1 24 ? -14.845 -4.201 5.215 1.00 0.00 ? 24 ARG A HH12 18 ATOM 26261 H HH21 . ARG A 1 24 ? -14.601 -0.768 4.596 1.00 0.00 ? 24 ARG A HH21 18 ATOM 26262 H HH22 . ARG A 1 24 ? -15.588 -2.034 5.245 1.00 0.00 ? 24 ARG A HH22 18 ATOM 26263 N N . LEU A 1 25 ? -6.978 -4.961 1.070 1.00 0.00 ? 25 LEU A N 18 ATOM 26264 C CA . LEU A 1 25 ? -6.419 -5.972 0.179 1.00 0.00 ? 25 LEU A CA 18 ATOM 26265 C C . LEU A 1 25 ? -5.486 -6.910 0.938 1.00 0.00 ? 25 LEU A C 18 ATOM 26266 O O . LEU A 1 25 ? -5.537 -8.129 0.762 1.00 0.00 ? 25 LEU A O 18 ATOM 26267 C CB . LEU A 1 25 ? -5.664 -5.304 -0.971 1.00 0.00 ? 25 LEU A CB 18 ATOM 26268 C CG . LEU A 1 25 ? -6.527 -4.630 -2.039 1.00 0.00 ? 25 LEU A CG 18 ATOM 26269 C CD1 . LEU A 1 25 ? -5.719 -3.590 -2.800 1.00 0.00 ? 25 LEU A CD1 18 ATOM 26270 C CD2 . LEU A 1 25 ? -7.099 -5.667 -2.995 1.00 0.00 ? 25 LEU A CD2 18 ATOM 26271 H H . LEU A 1 25 ? -6.577 -4.067 1.088 1.00 0.00 ? 25 LEU A H 18 ATOM 26272 H HA . LEU A 1 25 ? -7.239 -6.547 -0.225 1.00 0.00 ? 25 LEU A HA 18 ATOM 26273 H HB2 . LEU A 1 25 ? -5.014 -4.553 -0.549 1.00 0.00 ? 25 LEU A HB2 18 ATOM 26274 H HB3 . LEU A 1 25 ? -5.066 -6.062 -1.458 1.00 0.00 ? 25 LEU A HB3 18 ATOM 26275 H HG . LEU A 1 25 ? -7.353 -4.124 -1.558 1.00 0.00 ? 25 LEU A HG 18 ATOM 26276 H HD11 . LEU A 1 25 ? -5.309 -2.874 -2.104 1.00 0.00 ? 25 LEU A HD11 18 ATOM 26277 H HD12 . LEU A 1 25 ? -6.361 -3.081 -3.504 1.00 0.00 ? 25 LEU A HD12 18 ATOM 26278 H HD13 . LEU A 1 25 ? -4.916 -4.077 -3.332 1.00 0.00 ? 25 LEU A HD13 18 ATOM 26279 H HD21 . LEU A 1 25 ? -6.304 -6.074 -3.602 1.00 0.00 ? 25 LEU A HD21 18 ATOM 26280 H HD22 . LEU A 1 25 ? -7.836 -5.200 -3.632 1.00 0.00 ? 25 LEU A HD22 18 ATOM 26281 H HD23 . LEU A 1 25 ? -7.563 -6.461 -2.428 1.00 0.00 ? 25 LEU A HD23 18 ATOM 26282 N N . LEU A 1 26 ? -4.636 -6.336 1.782 1.00 0.00 ? 26 LEU A N 18 ATOM 26283 C CA . LEU A 1 26 ? -3.693 -7.122 2.570 1.00 0.00 ? 26 LEU A CA 18 ATOM 26284 C C . LEU A 1 26 ? -4.419 -8.184 3.389 1.00 0.00 ? 26 LEU A C 18 ATOM 26285 O O . LEU A 1 26 ? -3.947 -9.313 3.518 1.00 0.00 ? 26 LEU A O 18 ATOM 26286 C CB . LEU A 1 26 ? -2.888 -6.209 3.497 1.00 0.00 ? 26 LEU A CB 18 ATOM 26287 C CG . LEU A 1 26 ? -2.408 -6.837 4.806 1.00 0.00 ? 26 LEU A CG 18 ATOM 26288 C CD1 . LEU A 1 26 ? -1.406 -7.947 4.530 1.00 0.00 ? 26 LEU A CD1 18 ATOM 26289 C CD2 . LEU A 1 26 ? -1.797 -5.778 5.713 1.00 0.00 ? 26 LEU A CD2 18 ATOM 26290 H H . LEU A 1 26 ? -4.642 -5.362 1.879 1.00 0.00 ? 26 LEU A H 18 ATOM 26291 H HA . LEU A 1 26 ? -3.017 -7.612 1.885 1.00 0.00 ? 26 LEU A HA 18 ATOM 26292 H HB2 . LEU A 1 26 ? -2.018 -5.871 2.954 1.00 0.00 ? 26 LEU A HB2 18 ATOM 26293 H HB3 . LEU A 1 26 ? -3.509 -5.360 3.744 1.00 0.00 ? 26 LEU A HB3 18 ATOM 26294 H HG . LEU A 1 26 ? -3.254 -7.272 5.321 1.00 0.00 ? 26 LEU A HG 18 ATOM 26295 H HD11 . LEU A 1 26 ? -0.446 -7.676 4.940 1.00 0.00 ? 26 LEU A HD11 18 ATOM 26296 H HD12 . LEU A 1 26 ? -1.314 -8.092 3.464 1.00 0.00 ? 26 LEU A HD12 18 ATOM 26297 H HD13 . LEU A 1 26 ? -1.749 -8.863 4.989 1.00 0.00 ? 26 LEU A HD13 18 ATOM 26298 H HD21 . LEU A 1 26 ? -2.570 -5.345 6.330 1.00 0.00 ? 26 LEU A HD21 18 ATOM 26299 H HD22 . LEU A 1 26 ? -1.344 -5.006 5.109 1.00 0.00 ? 26 LEU A HD22 18 ATOM 26300 H HD23 . LEU A 1 26 ? -1.046 -6.233 6.341 1.00 0.00 ? 26 LEU A HD23 18 ATOM 26301 N N . ALA A 1 27 ? -5.571 -7.815 3.938 1.00 0.00 ? 27 ALA A N 18 ATOM 26302 C CA . ALA A 1 27 ? -6.365 -8.737 4.741 1.00 0.00 ? 27 ALA A CA 18 ATOM 26303 C C . ALA A 1 27 ? -6.853 -9.914 3.903 1.00 0.00 ? 27 ALA A C 18 ATOM 26304 O O . ALA A 1 27 ? -6.972 -11.034 4.399 1.00 0.00 ? 27 ALA A O 18 ATOM 26305 C CB . ALA A 1 27 ? -7.545 -8.010 5.369 1.00 0.00 ? 27 ALA A CB 18 ATOM 26306 H H . ALA A 1 27 ? -5.896 -6.901 3.800 1.00 0.00 ? 27 ALA A H 18 ATOM 26307 H HA . ALA A 1 27 ? -5.738 -9.111 5.538 1.00 0.00 ? 27 ALA A HA 18 ATOM 26308 H HB1 . ALA A 1 27 ? -7.560 -6.986 5.023 1.00 0.00 ? 27 ALA A HB1 18 ATOM 26309 H HB2 . ALA A 1 27 ? -8.463 -8.500 5.084 1.00 0.00 ? 27 ALA A HB2 18 ATOM 26310 H HB3 . ALA A 1 27 ? -7.446 -8.025 6.444 1.00 0.00 ? 27 ALA A HB3 18 ATOM 26311 N N . ALA A 1 28 ? -7.133 -9.653 2.631 1.00 0.00 ? 28 ALA A N 18 ATOM 26312 C CA . ALA A 1 28 ? -7.606 -10.692 1.724 1.00 0.00 ? 28 ALA A CA 18 ATOM 26313 C C . ALA A 1 28 ? -6.440 -11.402 1.045 1.00 0.00 ? 28 ALA A C 18 ATOM 26314 O O . ALA A 1 28 ? -6.634 -12.199 0.129 1.00 0.00 ? 28 ALA A O 18 ATOM 26315 C CB . ALA A 1 28 ? -8.542 -10.096 0.682 1.00 0.00 ? 28 ALA A CB 18 ATOM 26316 H H . ALA A 1 28 ? -7.018 -8.740 2.293 1.00 0.00 ? 28 ALA A H 18 ATOM 26317 H HA . ALA A 1 28 ? -8.165 -11.412 2.304 1.00 0.00 ? 28 ALA A HA 18 ATOM 26318 H HB1 . ALA A 1 28 ? -8.080 -9.227 0.239 1.00 0.00 ? 28 ALA A HB1 18 ATOM 26319 H HB2 . ALA A 1 28 ? -8.740 -10.830 -0.085 1.00 0.00 ? 28 ALA A HB2 18 ATOM 26320 H HB3 . ALA A 1 28 ? -9.470 -9.810 1.154 1.00 0.00 ? 28 ALA A HB3 18 ATOM 26321 N N . GLY A 1 29 ? -5.226 -11.106 1.502 1.00 0.00 ? 29 GLY A N 18 ATOM 26322 C CA . GLY A 1 29 ? -4.046 -11.724 0.926 1.00 0.00 ? 29 GLY A CA 18 ATOM 26323 C C . GLY A 1 29 ? -3.698 -11.153 -0.434 1.00 0.00 ? 29 GLY A C 18 ATOM 26324 O O . GLY A 1 29 ? -2.873 -11.712 -1.157 1.00 0.00 ? 29 GLY A O 18 ATOM 26325 H H . GLY A 1 29 ? -5.132 -10.462 2.235 1.00 0.00 ? 29 GLY A H 18 ATOM 26326 H HA2 . GLY A 1 29 ? -3.211 -11.571 1.594 1.00 0.00 ? 29 GLY A HA2 18 ATOM 26327 H HA3 . GLY A 1 29 ? -4.223 -12.784 0.825 1.00 0.00 ? 29 GLY A HA3 18 ATOM 26328 N N . LYS A 1 30 ? -4.329 -10.038 -0.786 1.00 0.00 ? 30 LYS A N 18 ATOM 26329 C CA . LYS A 1 30 ? -4.083 -9.391 -2.069 1.00 0.00 ? 30 LYS A CA 18 ATOM 26330 C C . LYS A 1 30 ? -2.871 -8.468 -1.989 1.00 0.00 ? 30 LYS A C 18 ATOM 26331 O O . LYS A 1 30 ? -2.870 -7.378 -2.562 1.00 0.00 ? 30 LYS A O 18 ATOM 26332 C CB . LYS A 1 30 ? -5.315 -8.596 -2.507 1.00 0.00 ? 30 LYS A CB 18 ATOM 26333 C CG . LYS A 1 30 ? -6.484 -9.470 -2.928 1.00 0.00 ? 30 LYS A CG 18 ATOM 26334 C CD . LYS A 1 30 ? -6.235 -10.124 -4.276 1.00 0.00 ? 30 LYS A CD 18 ATOM 26335 C CE . LYS A 1 30 ? -7.529 -10.626 -4.900 1.00 0.00 ? 30 LYS A CE 18 ATOM 26336 N NZ . LYS A 1 30 ? -7.297 -11.796 -5.791 1.00 0.00 ? 30 LYS A NZ 18 ATOM 26337 H H . LYS A 1 30 ? -4.977 -9.640 -0.166 1.00 0.00 ? 30 LYS A H 18 ATOM 26338 H HA . LYS A 1 30 ? -3.885 -10.163 -2.797 1.00 0.00 ? 30 LYS A HA 18 ATOM 26339 H HB2 . LYS A 1 30 ? -5.636 -7.971 -1.687 1.00 0.00 ? 30 LYS A HB2 18 ATOM 26340 H HB3 . LYS A 1 30 ? -5.044 -7.967 -3.343 1.00 0.00 ? 30 LYS A HB3 18 ATOM 26341 H HG2 . LYS A 1 30 ? -6.630 -10.242 -2.187 1.00 0.00 ? 30 LYS A HG2 18 ATOM 26342 H HG3 . LYS A 1 30 ? -7.373 -8.858 -2.993 1.00 0.00 ? 30 LYS A HG3 18 ATOM 26343 H HD2 . LYS A 1 30 ? -5.787 -9.400 -4.941 1.00 0.00 ? 30 LYS A HD2 18 ATOM 26344 H HD3 . LYS A 1 30 ? -5.562 -10.959 -4.143 1.00 0.00 ? 30 LYS A HD3 18 ATOM 26345 H HE2 . LYS A 1 30 ? -8.205 -10.914 -4.110 1.00 0.00 ? 30 LYS A HE2 18 ATOM 26346 H HE3 . LYS A 1 30 ? -7.969 -9.827 -5.477 1.00 0.00 ? 30 LYS A HE3 18 ATOM 26347 H HZ1 . LYS A 1 30 ? -7.836 -11.685 -6.673 1.00 0.00 ? 30 LYS A HZ1 18 ATOM 26348 H HZ2 . LYS A 1 30 ? -7.604 -12.671 -5.319 1.00 0.00 ? 30 LYS A HZ2 18 ATOM 26349 H HZ3 . LYS A 1 30 ? -6.286 -11.876 -6.022 1.00 0.00 ? 30 LYS A HZ3 18 ATOM 26350 N N . TYR A 1 31 ? -1.841 -8.912 -1.277 1.00 0.00 ? 31 TYR A N 18 ATOM 26351 C CA . TYR A 1 31 ? -0.624 -8.125 -1.122 1.00 0.00 ? 31 TYR A CA 18 ATOM 26352 C C . TYR A 1 31 ? -0.237 -7.456 -2.437 1.00 0.00 ? 31 TYR A C 18 ATOM 26353 O O . TYR A 1 31 ? -0.164 -6.230 -2.524 1.00 0.00 ? 31 TYR A O 18 ATOM 26354 C CB . TYR A 1 31 ? 0.522 -9.011 -0.631 1.00 0.00 ? 31 TYR A CB 18 ATOM 26355 C CG . TYR A 1 31 ? 0.176 -9.824 0.596 1.00 0.00 ? 31 TYR A CG 18 ATOM 26356 C CD1 . TYR A 1 31 ? -0.400 -11.083 0.479 1.00 0.00 ? 31 TYR A CD1 18 ATOM 26357 C CD2 . TYR A 1 31 ? 0.427 -9.334 1.871 1.00 0.00 ? 31 TYR A CD2 18 ATOM 26358 C CE1 . TYR A 1 31 ? -0.718 -11.829 1.598 1.00 0.00 ? 31 TYR A CE1 18 ATOM 26359 C CE2 . TYR A 1 31 ? 0.113 -10.073 2.995 1.00 0.00 ? 31 TYR A CE2 18 ATOM 26360 C CZ . TYR A 1 31 ? -0.460 -11.320 2.853 1.00 0.00 ? 31 TYR A CZ 18 ATOM 26361 O OH . TYR A 1 31 ? -0.774 -12.060 3.970 1.00 0.00 ? 31 TYR A OH 18 ATOM 26362 H H . TYR A 1 31 ? -1.902 -9.789 -0.844 1.00 0.00 ? 31 TYR A H 18 ATOM 26363 H HA . TYR A 1 31 ? -0.815 -7.360 -0.384 1.00 0.00 ? 31 TYR A HA 18 ATOM 26364 H HB2 . TYR A 1 31 ? 0.799 -9.698 -1.416 1.00 0.00 ? 31 TYR A HB2 18 ATOM 26365 H HB3 . TYR A 1 31 ? 1.371 -8.389 -0.389 1.00 0.00 ? 31 TYR A HB3 18 ATOM 26366 H HD1 . TYR A 1 31 ? -0.601 -11.479 -0.506 1.00 0.00 ? 31 TYR A HD1 18 ATOM 26367 H HD2 . TYR A 1 31 ? 0.875 -8.357 1.979 1.00 0.00 ? 31 TYR A HD2 18 ATOM 26368 H HE1 . TYR A 1 31 ? -1.166 -12.805 1.487 1.00 0.00 ? 31 TYR A HE1 18 ATOM 26369 H HE2 . TYR A 1 31 ? 0.315 -9.675 3.979 1.00 0.00 ? 31 TYR A HE2 18 ATOM 26370 H HH . TYR A 1 31 ? -1.531 -12.619 3.780 1.00 0.00 ? 31 TYR A HH 18 ATOM 26371 N N . GLU A 1 32 ? 0.010 -8.270 -3.458 1.00 0.00 ? 32 GLU A N 18 ATOM 26372 C CA . GLU A 1 32 ? 0.390 -7.757 -4.769 1.00 0.00 ? 32 GLU A CA 18 ATOM 26373 C C . GLU A 1 32 ? -0.416 -6.509 -5.120 1.00 0.00 ? 32 GLU A C 18 ATOM 26374 O O . GLU A 1 32 ? 0.144 -5.488 -5.515 1.00 0.00 ? 32 GLU A O 18 ATOM 26375 C CB . GLU A 1 32 ? 0.182 -8.830 -5.841 1.00 0.00 ? 32 GLU A CB 18 ATOM 26376 C CG . GLU A 1 32 ? 0.907 -8.537 -7.144 1.00 0.00 ? 32 GLU A CG 18 ATOM 26377 C CD . GLU A 1 32 ? 0.243 -9.190 -8.341 1.00 0.00 ? 32 GLU A CD 18 ATOM 26378 O OE1 . GLU A 1 32 ? -0.745 -8.622 -8.853 1.00 0.00 ? 32 GLU A OE1 18 ATOM 26379 O OE2 . GLU A 1 32 ? 0.710 -10.268 -8.764 1.00 0.00 ? 32 GLU A OE2 18 ATOM 26380 H H . GLU A 1 32 ? -0.065 -9.238 -3.327 1.00 0.00 ? 32 GLU A H 18 ATOM 26381 H HA . GLU A 1 32 ? 1.437 -7.497 -4.733 1.00 0.00 ? 32 GLU A HA 18 ATOM 26382 H HB2 . GLU A 1 32 ? 0.537 -9.776 -5.460 1.00 0.00 ? 32 GLU A HB2 18 ATOM 26383 H HB3 . GLU A 1 32 ? -0.875 -8.910 -6.052 1.00 0.00 ? 32 GLU A HB3 18 ATOM 26384 H HG2 . GLU A 1 32 ? 0.923 -7.468 -7.300 1.00 0.00 ? 32 GLU A HG2 18 ATOM 26385 H HG3 . GLU A 1 32 ? 1.920 -8.904 -7.068 1.00 0.00 ? 32 GLU A HG3 18 ATOM 26386 N N . GLU A 1 33 ? -1.734 -6.602 -4.972 1.00 0.00 ? 33 GLU A N 18 ATOM 26387 C CA . GLU A 1 33 ? -2.616 -5.482 -5.274 1.00 0.00 ? 33 GLU A CA 18 ATOM 26388 C C . GLU A 1 33 ? -2.271 -4.269 -4.414 1.00 0.00 ? 33 GLU A C 18 ATOM 26389 O O . GLU A 1 33 ? -2.313 -3.131 -4.881 1.00 0.00 ? 33 GLU A O 18 ATOM 26390 C CB . GLU A 1 33 ? -4.077 -5.879 -5.051 1.00 0.00 ? 33 GLU A CB 18 ATOM 26391 C CG . GLU A 1 33 ? -4.585 -6.913 -6.042 1.00 0.00 ? 33 GLU A CG 18 ATOM 26392 C CD . GLU A 1 33 ? -4.644 -6.381 -7.461 1.00 0.00 ? 33 GLU A CD 18 ATOM 26393 O OE1 . GLU A 1 33 ? -5.094 -5.230 -7.644 1.00 0.00 ? 33 GLU A OE1 18 ATOM 26394 O OE2 . GLU A 1 33 ? -4.241 -7.114 -8.388 1.00 0.00 ? 33 GLU A OE2 18 ATOM 26395 H H . GLU A 1 33 ? -2.121 -7.444 -4.653 1.00 0.00 ? 33 GLU A H 18 ATOM 26396 H HA . GLU A 1 33 ? -2.479 -5.222 -6.313 1.00 0.00 ? 33 GLU A HA 18 ATOM 26397 H HB2 . GLU A 1 33 ? -4.179 -6.284 -4.055 1.00 0.00 ? 33 GLU A HB2 18 ATOM 26398 H HB3 . GLU A 1 33 ? -4.694 -4.997 -5.136 1.00 0.00 ? 33 GLU A HB3 18 ATOM 26399 H HG2 . GLU A 1 33 ? -3.924 -7.767 -6.022 1.00 0.00 ? 33 GLU A HG2 18 ATOM 26400 H HG3 . GLU A 1 33 ? -5.577 -7.220 -5.747 1.00 0.00 ? 33 GLU A HG3 18 ATOM 26401 N N . ALA A 1 34 ? -1.929 -4.523 -3.155 1.00 0.00 ? 34 ALA A N 18 ATOM 26402 C CA . ALA A 1 34 ? -1.575 -3.454 -2.229 1.00 0.00 ? 34 ALA A CA 18 ATOM 26403 C C . ALA A 1 34 ? -0.226 -2.841 -2.589 1.00 0.00 ? 34 ALA A C 18 ATOM 26404 O O . ALA A 1 34 ? -0.036 -1.629 -2.480 1.00 0.00 ? 34 ALA A O 18 ATOM 26405 C CB . ALA A 1 34 ? -1.555 -3.978 -0.801 1.00 0.00 ? 34 ALA A CB 18 ATOM 26406 H H . ALA A 1 34 ? -1.914 -5.451 -2.841 1.00 0.00 ? 34 ALA A H 18 ATOM 26407 H HA . ALA A 1 34 ? -2.336 -2.689 -2.296 1.00 0.00 ? 34 ALA A HA 18 ATOM 26408 H HB1 . ALA A 1 34 ? -2.066 -3.278 -0.155 1.00 0.00 ? 34 ALA A HB1 18 ATOM 26409 H HB2 . ALA A 1 34 ? -2.053 -4.935 -0.762 1.00 0.00 ? 34 ALA A HB2 18 ATOM 26410 H HB3 . ALA A 1 34 ? -0.532 -4.090 -0.473 1.00 0.00 ? 34 ALA A HB3 18 ATOM 26411 N N . ILE A 1 35 ? 0.707 -3.685 -3.017 1.00 0.00 ? 35 ILE A N 18 ATOM 26412 C CA . ILE A 1 35 ? 2.038 -3.225 -3.393 1.00 0.00 ? 35 ILE A CA 18 ATOM 26413 C C . ILE A 1 35 ? 1.961 -2.088 -4.407 1.00 0.00 ? 35 ILE A C 18 ATOM 26414 O O . ILE A 1 35 ? 2.484 -0.999 -4.175 1.00 0.00 ? 35 ILE A O 18 ATOM 26415 C CB . ILE A 1 35 ? 2.883 -4.369 -3.985 1.00 0.00 ? 35 ILE A CB 18 ATOM 26416 C CG1 . ILE A 1 35 ? 3.017 -5.509 -2.973 1.00 0.00 ? 35 ILE A CG1 18 ATOM 26417 C CG2 . ILE A 1 35 ? 4.254 -3.856 -4.398 1.00 0.00 ? 35 ILE A CG2 18 ATOM 26418 C CD1 . ILE A 1 35 ? 3.656 -6.754 -3.546 1.00 0.00 ? 35 ILE A CD1 18 ATOM 26419 H H . ILE A 1 35 ? 0.494 -4.639 -3.083 1.00 0.00 ? 35 ILE A H 18 ATOM 26420 H HA . ILE A 1 35 ? 2.530 -2.865 -2.501 1.00 0.00 ? 35 ILE A HA 18 ATOM 26421 H HB . ILE A 1 35 ? 2.382 -4.737 -4.867 1.00 0.00 ? 35 ILE A HB 18 ATOM 26422 H HG12 . ILE A 1 35 ? 3.623 -5.177 -2.144 1.00 0.00 ? 35 ILE A HG12 18 ATOM 26423 H HG13 . ILE A 1 35 ? 2.034 -5.776 -2.610 1.00 0.00 ? 35 ILE A HG13 18 ATOM 26424 H HG21 . ILE A 1 35 ? 4.945 -3.975 -3.576 1.00 0.00 ? 35 ILE A HG21 18 ATOM 26425 H HG22 . ILE A 1 35 ? 4.607 -4.419 -5.248 1.00 0.00 ? 35 ILE A HG22 18 ATOM 26426 H HG23 . ILE A 1 35 ? 4.184 -2.811 -4.661 1.00 0.00 ? 35 ILE A HG23 18 ATOM 26427 H HD11 . ILE A 1 35 ? 4.695 -6.793 -3.252 1.00 0.00 ? 35 ILE A HD11 18 ATOM 26428 H HD12 . ILE A 1 35 ? 3.142 -7.627 -3.174 1.00 0.00 ? 35 ILE A HD12 18 ATOM 26429 H HD13 . ILE A 1 35 ? 3.589 -6.729 -4.624 1.00 0.00 ? 35 ILE A HD13 18 ATOM 26430 N N . SER A 1 36 ? 1.303 -2.350 -5.532 1.00 0.00 ? 36 SER A N 18 ATOM 26431 C CA . SER A 1 36 ? 1.158 -1.349 -6.583 1.00 0.00 ? 36 SER A CA 18 ATOM 26432 C C . SER A 1 36 ? 0.376 -0.141 -6.079 1.00 0.00 ? 36 SER A C 18 ATOM 26433 O O . SER A 1 36 ? 0.727 1.004 -6.367 1.00 0.00 ? 36 SER A O 18 ATOM 26434 C CB . SER A 1 36 ? 0.455 -1.955 -7.799 1.00 0.00 ? 36 SER A CB 18 ATOM 26435 O OG . SER A 1 36 ? -0.823 -2.459 -7.451 1.00 0.00 ? 36 SER A OG 18 ATOM 26436 H H . SER A 1 36 ? 0.907 -3.238 -5.659 1.00 0.00 ? 36 SER A H 18 ATOM 26437 H HA . SER A 1 36 ? 2.147 -1.028 -6.873 1.00 0.00 ? 36 SER A HA 18 ATOM 26438 H HB2 . SER A 1 36 ? 0.335 -1.196 -8.557 1.00 0.00 ? 36 SER A HB2 18 ATOM 26439 H HB3 . SER A 1 36 ? 1.054 -2.764 -8.192 1.00 0.00 ? 36 SER A HB3 18 ATOM 26440 H HG . SER A 1 36 ? -0.836 -3.411 -7.574 1.00 0.00 ? 36 SER A HG 18 ATOM 26441 N N . CYS A 1 37 ? -0.686 -0.404 -5.325 1.00 0.00 ? 37 CYS A N 18 ATOM 26442 C CA . CYS A 1 37 ? -1.520 0.662 -4.780 1.00 0.00 ? 37 CYS A CA 18 ATOM 26443 C C . CYS A 1 37 ? -0.671 1.695 -4.045 1.00 0.00 ? 37 CYS A C 18 ATOM 26444 O O . CYS A 1 37 ? -0.915 2.898 -4.143 1.00 0.00 ? 37 CYS A O 18 ATOM 26445 C CB . CYS A 1 37 ? -2.571 0.081 -3.834 1.00 0.00 ? 37 CYS A CB 18 ATOM 26446 S SG . CYS A 1 37 ? -3.808 1.279 -3.281 1.00 0.00 ? 37 CYS A SG 18 ATOM 26447 H H . CYS A 1 37 ? -0.915 -1.336 -5.130 1.00 0.00 ? 37 CYS A H 18 ATOM 26448 H HA . CYS A 1 37 ? -2.019 1.146 -5.606 1.00 0.00 ? 37 CYS A HA 18 ATOM 26449 H HB2 . CYS A 1 37 ? -3.093 -0.720 -4.336 1.00 0.00 ? 37 CYS A HB2 18 ATOM 26450 H HB3 . CYS A 1 37 ? -2.078 -0.312 -2.958 1.00 0.00 ? 37 CYS A HB3 18 ATOM 26451 H HG . CYS A 1 37 ? -4.763 0.616 -2.646 1.00 0.00 ? 37 CYS A HG 18 ATOM 26452 N N . HIS A 1 38 ? 0.326 1.217 -3.308 1.00 0.00 ? 38 HIS A N 18 ATOM 26453 C CA . HIS A 1 38 ? 1.211 2.099 -2.555 1.00 0.00 ? 38 HIS A CA 18 ATOM 26454 C C . HIS A 1 38 ? 2.077 2.931 -3.495 1.00 0.00 ? 38 HIS A C 18 ATOM 26455 O O . HIS A 1 38 ? 2.266 4.129 -3.283 1.00 0.00 ? 38 HIS A O 18 ATOM 26456 C CB . HIS A 1 38 ? 2.097 1.283 -1.613 1.00 0.00 ? 38 HIS A CB 18 ATOM 26457 C CG . HIS A 1 38 ? 1.439 0.950 -0.309 1.00 0.00 ? 38 HIS A CG 18 ATOM 26458 N ND1 . HIS A 1 38 ? 1.215 1.884 0.681 1.00 0.00 ? 38 HIS A ND1 18 ATOM 26459 C CD2 . HIS A 1 38 ? 0.955 -0.222 0.164 1.00 0.00 ? 38 HIS A CD2 18 ATOM 26460 C CE1 . HIS A 1 38 ? 0.622 1.300 1.707 1.00 0.00 ? 38 HIS A CE1 18 ATOM 26461 N NE2 . HIS A 1 38 ? 0.453 0.022 1.419 1.00 0.00 ? 38 HIS A NE2 18 ATOM 26462 H H . HIS A 1 38 ? 0.470 0.248 -3.269 1.00 0.00 ? 38 HIS A H 18 ATOM 26463 H HA . HIS A 1 38 ? 0.595 2.764 -1.969 1.00 0.00 ? 38 HIS A HA 18 ATOM 26464 H HB2 . HIS A 1 38 ? 2.365 0.355 -2.095 1.00 0.00 ? 38 HIS A HB2 18 ATOM 26465 H HB3 . HIS A 1 38 ? 2.995 1.844 -1.398 1.00 0.00 ? 38 HIS A HB3 18 ATOM 26466 H HD1 . HIS A 1 38 ? 1.456 2.832 0.638 1.00 0.00 ? 38 HIS A HD1 18 ATOM 26467 H HD2 . HIS A 1 38 ? 0.962 -1.173 -0.349 1.00 0.00 ? 38 HIS A HD2 18 ATOM 26468 H HE1 . HIS A 1 38 ? 0.326 1.784 2.625 1.00 0.00 ? 38 HIS A HE1 18 ATOM 26469 H HE2 . HIS A 1 38 ? 0.115 -0.656 2.039 1.00 0.00 ? 38 HIS A HE2 18 ATOM 26470 N N . ARG A 1 39 ? 2.601 2.288 -4.533 1.00 0.00 ? 39 ARG A N 18 ATOM 26471 C CA . ARG A 1 39 ? 3.449 2.969 -5.504 1.00 0.00 ? 39 ARG A CA 18 ATOM 26472 C C . ARG A 1 39 ? 2.700 4.121 -6.167 1.00 0.00 ? 39 ARG A C 18 ATOM 26473 O O . ARG A 1 39 ? 3.271 5.180 -6.426 1.00 0.00 ? 39 ARG A O 18 ATOM 26474 C CB . ARG A 1 39 ? 3.935 1.983 -6.568 1.00 0.00 ? 39 ARG A CB 18 ATOM 26475 C CG . ARG A 1 39 ? 4.769 0.843 -6.007 1.00 0.00 ? 39 ARG A CG 18 ATOM 26476 C CD . ARG A 1 39 ? 5.133 -0.165 -7.086 1.00 0.00 ? 39 ARG A CD 18 ATOM 26477 N NE . ARG A 1 39 ? 6.211 0.319 -7.945 1.00 0.00 ? 39 ARG A NE 18 ATOM 26478 C CZ . ARG A 1 39 ? 6.013 1.100 -9.002 1.00 0.00 ? 39 ARG A CZ 18 ATOM 26479 N NH1 . ARG A 1 39 ? 4.786 1.482 -9.328 1.00 0.00 ? 39 ARG A NH1 18 ATOM 26480 N NH2 . ARG A 1 39 ? 7.044 1.499 -9.735 1.00 0.00 ? 39 ARG A NH2 18 ATOM 26481 H H . ARG A 1 39 ? 2.414 1.333 -4.649 1.00 0.00 ? 39 ARG A H 18 ATOM 26482 H HA . ARG A 1 39 ? 4.304 3.366 -4.978 1.00 0.00 ? 39 ARG A HA 18 ATOM 26483 H HB2 . ARG A 1 39 ? 3.077 1.559 -7.069 1.00 0.00 ? 39 ARG A HB2 18 ATOM 26484 H HB3 . ARG A 1 39 ? 4.535 2.517 -7.290 1.00 0.00 ? 39 ARG A HB3 18 ATOM 26485 H HG2 . ARG A 1 39 ? 5.678 1.247 -5.586 1.00 0.00 ? 39 ARG A HG2 18 ATOM 26486 H HG3 . ARG A 1 39 ? 4.203 0.342 -5.235 1.00 0.00 ? 39 ARG A HG3 18 ATOM 26487 H HD2 . ARG A 1 39 ? 5.449 -1.082 -6.612 1.00 0.00 ? 39 ARG A HD2 18 ATOM 26488 H HD3 . ARG A 1 39 ? 4.260 -0.355 -7.692 1.00 0.00 ? 39 ARG A HD3 18 ATOM 26489 H HE . ARG A 1 39 ? 7.125 0.049 -7.723 1.00 0.00 ? 39 ARG A HE 18 ATOM 26490 H HH11 . ARG A 1 39 ? 4.007 1.183 -8.777 1.00 0.00 ? 39 ARG A HH11 18 ATOM 26491 H HH12 . ARG A 1 39 ? 4.640 2.071 -10.124 1.00 0.00 ? 39 ARG A HH12 18 ATOM 26492 H HH21 . ARG A 1 39 ? 7.971 1.213 -9.493 1.00 0.00 ? 39 ARG A HH21 18 ATOM 26493 H HH22 . ARG A 1 39 ? 6.895 2.086 -10.530 1.00 0.00 ? 39 ARG A HH22 18 ATOM 26494 N N . LYS A 1 40 ? 1.417 3.906 -6.441 1.00 0.00 ? 40 LYS A N 18 ATOM 26495 C CA . LYS A 1 40 ? 0.588 4.925 -7.073 1.00 0.00 ? 40 LYS A CA 18 ATOM 26496 C C . LYS A 1 40 ? 0.507 6.176 -6.204 1.00 0.00 ? 40 LYS A C 18 ATOM 26497 O O . LYS A 1 40 ? 0.769 7.284 -6.670 1.00 0.00 ? 40 LYS A O 18 ATOM 26498 C CB . LYS A 1 40 ? -0.818 4.379 -7.333 1.00 0.00 ? 40 LYS A CB 18 ATOM 26499 C CG . LYS A 1 40 ? -0.951 3.649 -8.658 1.00 0.00 ? 40 LYS A CG 18 ATOM 26500 C CD . LYS A 1 40 ? -0.447 2.219 -8.560 1.00 0.00 ? 40 LYS A CD 18 ATOM 26501 C CE . LYS A 1 40 ? -0.756 1.431 -9.825 1.00 0.00 ? 40 LYS A CE 18 ATOM 26502 N NZ . LYS A 1 40 ? 0.241 1.694 -10.899 1.00 0.00 ? 40 LYS A NZ 18 ATOM 26503 H H . LYS A 1 40 ? 1.018 3.040 -6.211 1.00 0.00 ? 40 LYS A H 18 ATOM 26504 H HA . LYS A 1 40 ? 1.044 5.185 -8.016 1.00 0.00 ? 40 LYS A HA 18 ATOM 26505 H HB2 . LYS A 1 40 ? -1.077 3.693 -6.540 1.00 0.00 ? 40 LYS A HB2 18 ATOM 26506 H HB3 . LYS A 1 40 ? -1.517 5.203 -7.328 1.00 0.00 ? 40 LYS A HB3 18 ATOM 26507 H HG2 . LYS A 1 40 ? -1.992 3.633 -8.947 1.00 0.00 ? 40 LYS A HG2 18 ATOM 26508 H HG3 . LYS A 1 40 ? -0.376 4.174 -9.408 1.00 0.00 ? 40 LYS A HG3 18 ATOM 26509 H HD2 . LYS A 1 40 ? 0.622 2.233 -8.411 1.00 0.00 ? 40 LYS A HD2 18 ATOM 26510 H HD3 . LYS A 1 40 ? -0.924 1.735 -7.720 1.00 0.00 ? 40 LYS A HD3 18 ATOM 26511 H HE2 . LYS A 1 40 ? -0.748 0.379 -9.588 1.00 0.00 ? 40 LYS A HE2 18 ATOM 26512 H HE3 . LYS A 1 40 ? -1.737 1.714 -10.178 1.00 0.00 ? 40 LYS A HE3 18 ATOM 26513 H HZ1 . LYS A 1 40 ? 0.475 2.707 -10.930 1.00 0.00 ? 40 LYS A HZ1 18 ATOM 26514 H HZ2 . LYS A 1 40 ? -0.146 1.411 -11.822 1.00 0.00 ? 40 LYS A HZ2 18 ATOM 26515 H HZ3 . LYS A 1 40 ? 1.111 1.154 -10.719 1.00 0.00 ? 40 LYS A HZ3 18 ATOM 26516 N N . ALA A 1 41 ? 0.143 5.990 -4.940 1.00 0.00 ? 41 ALA A N 18 ATOM 26517 C CA . ALA A 1 41 ? 0.030 7.103 -4.006 1.00 0.00 ? 41 ALA A CA 18 ATOM 26518 C C . ALA A 1 41 ? 1.332 7.895 -3.936 1.00 0.00 ? 41 ALA A C 18 ATOM 26519 O O . ALA A 1 41 ? 1.351 9.101 -4.182 1.00 0.00 ? 41 ALA A O 18 ATOM 26520 C CB . ALA A 1 41 ? -0.356 6.596 -2.624 1.00 0.00 ? 41 ALA A CB 18 ATOM 26521 H H . ALA A 1 41 ? -0.054 5.082 -4.628 1.00 0.00 ? 41 ALA A H 18 ATOM 26522 H HA . ALA A 1 41 ? -0.757 7.755 -4.356 1.00 0.00 ? 41 ALA A HA 18 ATOM 26523 H HB1 . ALA A 1 41 ? 0.487 6.699 -1.955 1.00 0.00 ? 41 ALA A HB1 18 ATOM 26524 H HB2 . ALA A 1 41 ? -1.187 7.173 -2.248 1.00 0.00 ? 41 ALA A HB2 18 ATOM 26525 H HB3 . ALA A 1 41 ? -0.638 5.556 -2.689 1.00 0.00 ? 41 ALA A HB3 18 ATOM 26526 N N . THR A 1 42 ? 2.419 7.208 -3.599 1.00 0.00 ? 42 THR A N 18 ATOM 26527 C CA . THR A 1 42 ? 3.725 7.848 -3.495 1.00 0.00 ? 42 THR A CA 18 ATOM 26528 C C . THR A 1 42 ? 4.032 8.676 -4.737 1.00 0.00 ? 42 THR A C 18 ATOM 26529 O O . THR A 1 42 ? 4.518 9.803 -4.641 1.00 0.00 ? 42 THR A O 18 ATOM 26530 C CB . THR A 1 42 ? 4.845 6.809 -3.294 1.00 0.00 ? 42 THR A CB 18 ATOM 26531 O OG1 . THR A 1 42 ? 4.733 5.772 -4.275 1.00 0.00 ? 42 THR A OG1 18 ATOM 26532 C CG2 . THR A 1 42 ? 4.778 6.205 -1.900 1.00 0.00 ? 42 THR A CG2 18 ATOM 26533 H H . THR A 1 42 ? 2.340 6.249 -3.415 1.00 0.00 ? 42 THR A H 18 ATOM 26534 H HA . THR A 1 42 ? 3.709 8.500 -2.634 1.00 0.00 ? 42 THR A HA 18 ATOM 26535 H HB . THR A 1 42 ? 5.799 7.304 -3.411 1.00 0.00 ? 42 THR A HB 18 ATOM 26536 H HG1 . THR A 1 42 ? 3.815 5.684 -4.545 1.00 0.00 ? 42 THR A HG1 18 ATOM 26537 H HG21 . THR A 1 42 ? 5.434 5.348 -1.847 1.00 0.00 ? 42 THR A HG21 18 ATOM 26538 H HG22 . THR A 1 42 ? 3.765 5.896 -1.689 1.00 0.00 ? 42 THR A HG22 18 ATOM 26539 H HG23 . THR A 1 42 ? 5.089 6.941 -1.174 1.00 0.00 ? 42 THR A HG23 18 ATOM 26540 N N . THR A 1 43 ? 3.745 8.110 -5.906 1.00 0.00 ? 43 THR A N 18 ATOM 26541 C CA . THR A 1 43 ? 3.992 8.796 -7.168 1.00 0.00 ? 43 THR A CA 18 ATOM 26542 C C . THR A 1 43 ? 3.276 10.141 -7.211 1.00 0.00 ? 43 THR A C 18 ATOM 26543 O O . THR A 1 43 ? 3.828 11.134 -7.688 1.00 0.00 ? 43 THR A O 18 ATOM 26544 C CB . THR A 1 43 ? 3.534 7.945 -8.368 1.00 0.00 ? 43 THR A CB 18 ATOM 26545 O OG1 . THR A 1 43 ? 4.275 6.721 -8.411 1.00 0.00 ? 43 THR A OG1 18 ATOM 26546 C CG2 . THR A 1 43 ? 3.723 8.705 -9.673 1.00 0.00 ? 43 THR A CG2 18 ATOM 26547 H H . THR A 1 43 ? 3.360 7.209 -5.918 1.00 0.00 ? 43 THR A H 18 ATOM 26548 H HA . THR A 1 43 ? 5.056 8.962 -7.256 1.00 0.00 ? 43 THR A HA 18 ATOM 26549 H HB . THR A 1 43 ? 2.484 7.718 -8.250 1.00 0.00 ? 43 THR A HB 18 ATOM 26550 H HG1 . THR A 1 43 ? 5.159 6.869 -8.067 1.00 0.00 ? 43 THR A HG1 18 ATOM 26551 H HG21 . THR A 1 43 ? 3.923 9.744 -9.459 1.00 0.00 ? 43 THR A HG21 18 ATOM 26552 H HG22 . THR A 1 43 ? 2.826 8.626 -10.268 1.00 0.00 ? 43 THR A HG22 18 ATOM 26553 H HG23 . THR A 1 43 ? 4.555 8.283 -10.217 1.00 0.00 ? 43 THR A HG23 18 ATOM 26554 N N . TYR A 1 44 ? 2.047 10.169 -6.710 1.00 0.00 ? 44 TYR A N 18 ATOM 26555 C CA . TYR A 1 44 ? 1.255 11.393 -6.693 1.00 0.00 ? 44 TYR A CA 18 ATOM 26556 C C . TYR A 1 44 ? 1.790 12.373 -5.654 1.00 0.00 ? 44 TYR A C 18 ATOM 26557 O O . TYR A 1 44 ? 2.004 13.551 -5.945 1.00 0.00 ? 44 TYR A O 18 ATOM 26558 C CB . TYR A 1 44 ? -0.212 11.073 -6.400 1.00 0.00 ? 44 TYR A CB 18 ATOM 26559 C CG . TYR A 1 44 ? -1.081 12.301 -6.250 1.00 0.00 ? 44 TYR A CG 18 ATOM 26560 C CD1 . TYR A 1 44 ? -0.792 13.470 -6.943 1.00 0.00 ? 44 TYR A CD1 18 ATOM 26561 C CD2 . TYR A 1 44 ? -2.191 12.293 -5.415 1.00 0.00 ? 44 TYR A CD2 18 ATOM 26562 C CE1 . TYR A 1 44 ? -1.583 14.594 -6.809 1.00 0.00 ? 44 TYR A CE1 18 ATOM 26563 C CE2 . TYR A 1 44 ? -2.989 13.412 -5.275 1.00 0.00 ? 44 TYR A CE2 18 ATOM 26564 C CZ . TYR A 1 44 ? -2.680 14.560 -5.974 1.00 0.00 ? 44 TYR A CZ 18 ATOM 26565 O OH . TYR A 1 44 ? -3.471 15.678 -5.837 1.00 0.00 ? 44 TYR A OH 18 ATOM 26566 H H . TYR A 1 44 ? 1.661 9.346 -6.344 1.00 0.00 ? 44 TYR A H 18 ATOM 26567 H HA . TYR A 1 44 ? 1.326 11.847 -7.670 1.00 0.00 ? 44 TYR A HA 18 ATOM 26568 H HB2 . TYR A 1 44 ? -0.612 10.481 -7.208 1.00 0.00 ? 44 TYR A HB2 18 ATOM 26569 H HB3 . TYR A 1 44 ? -0.273 10.508 -5.481 1.00 0.00 ? 44 TYR A HB3 18 ATOM 26570 H HD1 . TYR A 1 44 ? 0.068 13.493 -7.597 1.00 0.00 ? 44 TYR A HD1 18 ATOM 26571 H HD2 . TYR A 1 44 ? -2.430 11.391 -4.868 1.00 0.00 ? 44 TYR A HD2 18 ATOM 26572 H HE1 . TYR A 1 44 ? -1.342 15.494 -7.356 1.00 0.00 ? 44 TYR A HE1 18 ATOM 26573 H HE2 . TYR A 1 44 ? -3.848 13.386 -4.621 1.00 0.00 ? 44 TYR A HE2 18 ATOM 26574 H HH . TYR A 1 44 ? -4.267 15.573 -6.363 1.00 0.00 ? 44 TYR A HH 18 ATOM 26575 N N . LEU A 1 45 ? 2.006 11.879 -4.440 1.00 0.00 ? 45 LEU A N 18 ATOM 26576 C CA . LEU A 1 45 ? 2.518 12.710 -3.355 1.00 0.00 ? 45 LEU A CA 18 ATOM 26577 C C . LEU A 1 45 ? 3.840 13.361 -3.746 1.00 0.00 ? 45 LEU A C 18 ATOM 26578 O O . LEU A 1 45 ? 4.013 14.572 -3.605 1.00 0.00 ? 45 LEU A O 18 ATOM 26579 C CB . LEU A 1 45 ? 2.703 11.872 -2.089 1.00 0.00 ? 45 LEU A CB 18 ATOM 26580 C CG . LEU A 1 45 ? 1.421 11.447 -1.371 1.00 0.00 ? 45 LEU A CG 18 ATOM 26581 C CD1 . LEU A 1 45 ? 1.733 10.448 -0.268 1.00 0.00 ? 45 LEU A CD1 18 ATOM 26582 C CD2 . LEU A 1 45 ? 0.699 12.661 -0.805 1.00 0.00 ? 45 LEU A CD2 18 ATOM 26583 H H . LEU A 1 45 ? 1.818 10.933 -4.268 1.00 0.00 ? 45 LEU A H 18 ATOM 26584 H HA . LEU A 1 45 ? 1.792 13.485 -3.161 1.00 0.00 ? 45 LEU A HA 18 ATOM 26585 H HB2 . LEU A 1 45 ? 3.242 10.977 -2.360 1.00 0.00 ? 45 LEU A HB2 18 ATOM 26586 H HB3 . LEU A 1 45 ? 3.296 12.451 -1.394 1.00 0.00 ? 45 LEU A HB3 18 ATOM 26587 H HG . LEU A 1 45 ? 0.762 10.965 -2.080 1.00 0.00 ? 45 LEU A HG 18 ATOM 26588 H HD11 . LEU A 1 45 ? 0.893 9.783 -0.136 1.00 0.00 ? 45 LEU A HD11 18 ATOM 26589 H HD12 . LEU A 1 45 ? 1.922 10.977 0.654 1.00 0.00 ? 45 LEU A HD12 18 ATOM 26590 H HD13 . LEU A 1 45 ? 2.608 9.874 -0.539 1.00 0.00 ? 45 LEU A HD13 18 ATOM 26591 H HD21 . LEU A 1 45 ? 1.079 13.556 -1.275 1.00 0.00 ? 45 LEU A HD21 18 ATOM 26592 H HD22 . LEU A 1 45 ? 0.868 12.715 0.261 1.00 0.00 ? 45 LEU A HD22 18 ATOM 26593 H HD23 . LEU A 1 45 ? -0.359 12.573 -0.999 1.00 0.00 ? 45 LEU A HD23 18 ATOM 26594 N N . SER A 1 46 ? 4.771 12.550 -4.239 1.00 0.00 ? 46 SER A N 18 ATOM 26595 C CA . SER A 1 46 ? 6.079 13.048 -4.648 1.00 0.00 ? 46 SER A CA 18 ATOM 26596 C C . SER A 1 46 ? 5.938 14.152 -5.692 1.00 0.00 ? 46 SER A C 18 ATOM 26597 O O . SER A 1 46 ? 6.850 14.954 -5.889 1.00 0.00 ? 46 SER A O 18 ATOM 26598 C CB . SER A 1 46 ? 6.929 11.906 -5.210 1.00 0.00 ? 46 SER A CB 18 ATOM 26599 O OG . SER A 1 46 ? 6.390 11.420 -6.426 1.00 0.00 ? 46 SER A OG 18 ATOM 26600 H H . SER A 1 46 ? 4.574 11.594 -4.326 1.00 0.00 ? 46 SER A H 18 ATOM 26601 H HA . SER A 1 46 ? 6.568 13.454 -3.775 1.00 0.00 ? 46 SER A HA 18 ATOM 26602 H HB2 . SER A 1 46 ? 7.932 12.263 -5.391 1.00 0.00 ? 46 SER A HB2 18 ATOM 26603 H HB3 . SER A 1 46 ? 6.959 11.098 -4.493 1.00 0.00 ? 46 SER A HB3 18 ATOM 26604 H HG . SER A 1 46 ? 6.576 12.044 -7.132 1.00 0.00 ? 46 SER A HG 18 ATOM 26605 N N . GLU A 1 47 ? 4.787 14.186 -6.356 1.00 0.00 ? 47 GLU A N 18 ATOM 26606 C CA . GLU A 1 47 ? 4.526 15.192 -7.380 1.00 0.00 ? 47 GLU A CA 18 ATOM 26607 C C . GLU A 1 47 ? 3.960 16.466 -6.759 1.00 0.00 ? 47 GLU A C 18 ATOM 26608 O O . GLU A 1 47 ? 4.000 17.535 -7.367 1.00 0.00 ? 47 GLU A O 18 ATOM 26609 C CB . GLU A 1 47 ? 3.554 14.645 -8.427 1.00 0.00 ? 47 GLU A CB 18 ATOM 26610 C CG . GLU A 1 47 ? 4.237 13.899 -9.561 1.00 0.00 ? 47 GLU A CG 18 ATOM 26611 C CD . GLU A 1 47 ? 4.810 14.830 -10.611 1.00 0.00 ? 47 GLU A CD 18 ATOM 26612 O OE1 . GLU A 1 47 ? 4.231 15.918 -10.817 1.00 0.00 ? 47 GLU A OE1 18 ATOM 26613 O OE2 . GLU A 1 47 ? 5.835 14.472 -11.226 1.00 0.00 ? 47 GLU A OE2 18 ATOM 26614 H H . GLU A 1 47 ? 4.098 13.520 -6.154 1.00 0.00 ? 47 GLU A H 18 ATOM 26615 H HA . GLU A 1 47 ? 5.464 15.426 -7.861 1.00 0.00 ? 47 GLU A HA 18 ATOM 26616 H HB2 . GLU A 1 47 ? 2.864 13.970 -7.942 1.00 0.00 ? 47 GLU A HB2 18 ATOM 26617 H HB3 . GLU A 1 47 ? 2.999 15.470 -8.850 1.00 0.00 ? 47 GLU A HB3 18 ATOM 26618 H HG2 . GLU A 1 47 ? 5.040 13.305 -9.151 1.00 0.00 ? 47 GLU A HG2 18 ATOM 26619 H HG3 . GLU A 1 47 ? 3.515 13.248 -10.033 1.00 0.00 ? 47 GLU A HG3 18 ATOM 26620 N N . ALA A 1 48 ? 3.433 16.342 -5.546 1.00 0.00 ? 48 ALA A N 18 ATOM 26621 C CA . ALA A 1 48 ? 2.859 17.482 -4.842 1.00 0.00 ? 48 ALA A CA 18 ATOM 26622 C C . ALA A 1 48 ? 3.951 18.389 -4.284 1.00 0.00 ? 48 ALA A C 18 ATOM 26623 O O . ALA A 1 48 ? 3.976 19.588 -4.559 1.00 0.00 ? 48 ALA A O 18 ATOM 26624 C CB . ALA A 1 48 ? 1.943 17.007 -3.724 1.00 0.00 ? 48 ALA A CB 18 ATOM 26625 H H . ALA A 1 48 ? 3.430 15.463 -5.113 1.00 0.00 ? 48 ALA A H 18 ATOM 26626 H HA . ALA A 1 48 ? 2.264 18.045 -5.547 1.00 0.00 ? 48 ALA A HA 18 ATOM 26627 H HB1 . ALA A 1 48 ? 1.547 17.862 -3.196 1.00 0.00 ? 48 ALA A HB1 18 ATOM 26628 H HB2 . ALA A 1 48 ? 1.131 16.434 -4.144 1.00 0.00 ? 48 ALA A HB2 18 ATOM 26629 H HB3 . ALA A 1 48 ? 2.504 16.389 -3.039 1.00 0.00 ? 48 ALA A HB3 18 ATOM 26630 N N . MET A 1 49 ? 4.853 17.808 -3.499 1.00 0.00 ? 49 MET A N 18 ATOM 26631 C CA . MET A 1 49 ? 5.948 18.564 -2.903 1.00 0.00 ? 49 MET A CA 18 ATOM 26632 C C . MET A 1 49 ? 6.841 19.169 -3.982 1.00 0.00 ? 49 MET A C 18 ATOM 26633 O O . MET A 1 49 ? 7.586 20.116 -3.727 1.00 0.00 ? 49 MET A O 18 ATOM 26634 C CB . MET A 1 49 ? 6.776 17.665 -1.984 1.00 0.00 ? 49 MET A CB 18 ATOM 26635 C CG . MET A 1 49 ? 7.285 16.404 -2.664 1.00 0.00 ? 49 MET A CG 18 ATOM 26636 S SD . MET A 1 49 ? 7.884 15.175 -1.489 1.00 0.00 ? 49 MET A SD 18 ATOM 26637 C CE . MET A 1 49 ? 6.516 15.115 -0.335 1.00 0.00 ? 49 MET A CE 18 ATOM 26638 H H . MET A 1 49 ? 4.781 16.848 -3.317 1.00 0.00 ? 49 MET A H 18 ATOM 26639 H HA . MET A 1 49 ? 5.518 19.364 -2.318 1.00 0.00 ? 49 MET A HA 18 ATOM 26640 H HB2 . MET A 1 49 ? 7.628 18.224 -1.626 1.00 0.00 ? 49 MET A HB2 18 ATOM 26641 H HB3 . MET A 1 49 ? 6.168 17.373 -1.141 1.00 0.00 ? 49 MET A HB3 18 ATOM 26642 H HG2 . MET A 1 49 ? 6.479 15.970 -3.237 1.00 0.00 ? 49 MET A HG2 18 ATOM 26643 H HG3 . MET A 1 49 ? 8.093 16.672 -3.329 1.00 0.00 ? 49 MET A HG3 18 ATOM 26644 H HE1 . MET A 1 49 ? 6.737 15.739 0.518 1.00 0.00 ? 49 MET A HE1 18 ATOM 26645 H HE2 . MET A 1 49 ? 5.620 15.472 -0.820 1.00 0.00 ? 49 MET A HE2 18 ATOM 26646 H HE3 . MET A 1 49 ? 6.367 14.096 -0.007 1.00 0.00 ? 49 MET A HE3 18 ATOM 26647 N N . LYS A 1 50 ? 6.761 18.617 -5.188 1.00 0.00 ? 50 LYS A N 18 ATOM 26648 C CA . LYS A 1 50 ? 7.561 19.102 -6.306 1.00 0.00 ? 50 LYS A CA 18 ATOM 26649 C C . LYS A 1 50 ? 6.964 20.379 -6.889 1.00 0.00 ? 50 LYS A C 18 ATOM 26650 O O . LYS A 1 50 ? 7.647 21.137 -7.580 1.00 0.00 ? 50 LYS A O 18 ATOM 26651 C CB . LYS A 1 50 ? 7.658 18.029 -7.394 1.00 0.00 ? 50 LYS A CB 18 ATOM 26652 C CG . LYS A 1 50 ? 8.827 17.078 -7.207 1.00 0.00 ? 50 LYS A CG 18 ATOM 26653 C CD . LYS A 1 50 ? 8.687 15.844 -8.083 1.00 0.00 ? 50 LYS A CD 18 ATOM 26654 C CE . LYS A 1 50 ? 9.686 14.766 -7.691 1.00 0.00 ? 50 LYS A CE 18 ATOM 26655 N NZ . LYS A 1 50 ? 9.720 13.655 -8.682 1.00 0.00 ? 50 LYS A NZ 18 ATOM 26656 H H . LYS A 1 50 ? 6.149 17.865 -5.329 1.00 0.00 ? 50 LYS A H 18 ATOM 26657 H HA . LYS A 1 50 ? 8.552 19.318 -5.936 1.00 0.00 ? 50 LYS A HA 18 ATOM 26658 H HB2 . LYS A 1 50 ? 6.746 17.451 -7.394 1.00 0.00 ? 50 LYS A HB2 18 ATOM 26659 H HB3 . LYS A 1 50 ? 7.766 18.515 -8.353 1.00 0.00 ? 50 LYS A HB3 18 ATOM 26660 H HG2 . LYS A 1 50 ? 9.741 17.589 -7.468 1.00 0.00 ? 50 LYS A HG2 18 ATOM 26661 H HG3 . LYS A 1 50 ? 8.867 16.770 -6.172 1.00 0.00 ? 50 LYS A HG3 18 ATOM 26662 H HD2 . LYS A 1 50 ? 7.688 15.449 -7.976 1.00 0.00 ? 50 LYS A HD2 18 ATOM 26663 H HD3 . LYS A 1 50 ? 8.858 16.123 -9.113 1.00 0.00 ? 50 LYS A HD3 18 ATOM 26664 H HE2 . LYS A 1 50 ? 10.668 15.210 -7.626 1.00 0.00 ? 50 LYS A HE2 18 ATOM 26665 H HE3 . LYS A 1 50 ? 9.407 14.368 -6.726 1.00 0.00 ? 50 LYS A HE3 18 ATOM 26666 H HZ1 . LYS A 1 50 ? 9.912 12.753 -8.200 1.00 0.00 ? 50 LYS A HZ1 18 ATOM 26667 H HZ2 . LYS A 1 50 ? 10.468 13.825 -9.384 1.00 0.00 ? 50 LYS A HZ2 18 ATOM 26668 H HZ3 . LYS A 1 50 ? 8.806 13.586 -9.173 1.00 0.00 ? 50 LYS A HZ3 18 ATOM 26669 N N . LEU A 1 51 ? 5.688 20.613 -6.605 1.00 0.00 ? 51 LEU A N 18 ATOM 26670 C CA . LEU A 1 51 ? 4.999 21.800 -7.100 1.00 0.00 ? 51 LEU A CA 18 ATOM 26671 C C . LEU A 1 51 ? 4.836 22.836 -5.992 1.00 0.00 ? 51 LEU A C 18 ATOM 26672 O O . LEU A 1 51 ? 5.100 24.022 -6.192 1.00 0.00 ? 51 LEU A O 18 ATOM 26673 C CB . LEU A 1 51 ? 3.629 21.420 -7.665 1.00 0.00 ? 51 LEU A CB 18 ATOM 26674 C CG . LEU A 1 51 ? 3.593 21.058 -9.150 1.00 0.00 ? 51 LEU A CG 18 ATOM 26675 C CD1 . LEU A 1 51 ? 4.453 19.833 -9.422 1.00 0.00 ? 51 LEU A CD1 18 ATOM 26676 C CD2 . LEU A 1 51 ? 2.161 20.818 -9.605 1.00 0.00 ? 51 LEU A CD2 18 ATOM 26677 H H . LEU A 1 51 ? 5.196 19.973 -6.050 1.00 0.00 ? 51 LEU A H 18 ATOM 26678 H HA . LEU A 1 51 ? 5.600 22.226 -7.889 1.00 0.00 ? 51 LEU A HA 18 ATOM 26679 H HB2 . LEU A 1 51 ? 3.266 20.570 -7.108 1.00 0.00 ? 51 LEU A HB2 18 ATOM 26680 H HB3 . LEU A 1 51 ? 2.965 22.259 -7.512 1.00 0.00 ? 51 LEU A HB3 18 ATOM 26681 H HG . LEU A 1 51 ? 3.994 21.881 -9.725 1.00 0.00 ? 51 LEU A HG 18 ATOM 26682 H HD11 . LEU A 1 51 ? 5.343 19.877 -8.813 1.00 0.00 ? 51 LEU A HD11 18 ATOM 26683 H HD12 . LEU A 1 51 ? 4.730 19.813 -10.465 1.00 0.00 ? 51 LEU A HD12 18 ATOM 26684 H HD13 . LEU A 1 51 ? 3.894 18.941 -9.180 1.00 0.00 ? 51 LEU A HD13 18 ATOM 26685 H HD21 . LEU A 1 51 ? 2.165 20.430 -10.613 1.00 0.00 ? 51 LEU A HD21 18 ATOM 26686 H HD22 . LEU A 1 51 ? 1.614 21.749 -9.581 1.00 0.00 ? 51 LEU A HD22 18 ATOM 26687 H HD23 . LEU A 1 51 ? 1.688 20.105 -8.947 1.00 0.00 ? 51 LEU A HD23 18 ATOM 26688 N N . THR A 1 52 ? 4.400 22.380 -4.822 1.00 0.00 ? 52 THR A N 18 ATOM 26689 C CA . THR A 1 52 ? 4.202 23.266 -3.682 1.00 0.00 ? 52 THR A CA 18 ATOM 26690 C C . THR A 1 52 ? 5.499 23.970 -3.301 1.00 0.00 ? 52 THR A C 18 ATOM 26691 O O . THR A 1 52 ? 6.530 23.327 -3.107 1.00 0.00 ? 52 THR A O 18 ATOM 26692 C CB . THR A 1 52 ? 3.670 22.496 -2.458 1.00 0.00 ? 52 THR A CB 18 ATOM 26693 O OG1 . THR A 1 52 ? 2.961 23.387 -1.589 1.00 0.00 ? 52 THR A OG1 18 ATOM 26694 C CG2 . THR A 1 52 ? 4.810 21.838 -1.696 1.00 0.00 ? 52 THR A CG2 18 ATOM 26695 H H . THR A 1 52 ? 4.206 21.424 -4.725 1.00 0.00 ? 52 THR A H 18 ATOM 26696 H HA . THR A 1 52 ? 3.468 24.009 -3.960 1.00 0.00 ? 52 THR A HA 18 ATOM 26697 H HB . THR A 1 52 ? 2.994 21.727 -2.801 1.00 0.00 ? 52 THR A HB 18 ATOM 26698 H HG1 . THR A 1 52 ? 2.260 23.823 -2.080 1.00 0.00 ? 52 THR A HG1 18 ATOM 26699 H HG21 . THR A 1 52 ? 5.503 21.394 -2.396 1.00 0.00 ? 52 THR A HG21 18 ATOM 26700 H HG22 . THR A 1 52 ? 4.414 21.071 -1.047 1.00 0.00 ? 52 THR A HG22 18 ATOM 26701 H HG23 . THR A 1 52 ? 5.324 22.580 -1.104 1.00 0.00 ? 52 THR A HG23 18 ATOM 26702 N N . GLU A 1 53 ? 5.440 25.294 -3.196 1.00 0.00 ? 53 GLU A N 18 ATOM 26703 C CA . GLU A 1 53 ? 6.612 26.084 -2.838 1.00 0.00 ? 53 GLU A CA 18 ATOM 26704 C C . GLU A 1 53 ? 6.695 26.282 -1.327 1.00 0.00 ? 53 GLU A C 18 ATOM 26705 O O . GLU A 1 53 ? 7.782 26.422 -0.768 1.00 0.00 ? 53 GLU A O 18 ATOM 26706 C CB . GLU A 1 53 ? 6.572 27.443 -3.540 1.00 0.00 ? 53 GLU A CB 18 ATOM 26707 C CG . GLU A 1 53 ? 7.947 28.023 -3.824 1.00 0.00 ? 53 GLU A CG 18 ATOM 26708 C CD . GLU A 1 53 ? 8.462 28.887 -2.689 1.00 0.00 ? 53 GLU A CD 18 ATOM 26709 O OE1 . GLU A 1 53 ? 7.969 28.728 -1.553 1.00 0.00 ? 53 GLU A OE1 18 ATOM 26710 O OE2 . GLU A 1 53 ? 9.357 29.722 -2.937 1.00 0.00 ? 53 GLU A OE2 18 ATOM 26711 H H . GLU A 1 53 ? 4.589 25.749 -3.363 1.00 0.00 ? 53 GLU A H 18 ATOM 26712 H HA . GLU A 1 53 ? 7.488 25.546 -3.167 1.00 0.00 ? 53 GLU A HA 18 ATOM 26713 H HB2 . GLU A 1 53 ? 6.048 27.335 -4.478 1.00 0.00 ? 53 GLU A HB2 18 ATOM 26714 H HB3 . GLU A 1 53 ? 6.032 28.141 -2.916 1.00 0.00 ? 53 GLU A HB3 18 ATOM 26715 H HG2 . GLU A 1 53 ? 8.641 27.210 -3.981 1.00 0.00 ? 53 GLU A HG2 18 ATOM 26716 H HG3 . GLU A 1 53 ? 7.892 28.625 -4.719 1.00 0.00 ? 53 GLU A HG3 18 ATOM 26717 N N . SER A 1 54 ? 5.537 26.292 -0.674 1.00 0.00 ? 54 SER A N 18 ATOM 26718 C CA . SER A 1 54 ? 5.478 26.476 0.771 1.00 0.00 ? 54 SER A CA 18 ATOM 26719 C C . SER A 1 54 ? 6.179 25.331 1.495 1.00 0.00 ? 54 SER A C 18 ATOM 26720 O O . SER A 1 54 ? 6.308 24.231 0.959 1.00 0.00 ? 54 SER A O 18 ATOM 26721 C CB . SER A 1 54 ? 4.023 26.572 1.235 1.00 0.00 ? 54 SER A CB 18 ATOM 26722 O OG . SER A 1 54 ? 3.418 27.767 0.772 1.00 0.00 ? 54 SER A OG 18 ATOM 26723 H H . SER A 1 54 ? 4.704 26.175 -1.176 1.00 0.00 ? 54 SER A H 18 ATOM 26724 H HA . SER A 1 54 ? 5.984 27.400 1.009 1.00 0.00 ? 54 SER A HA 18 ATOM 26725 H HB2 . SER A 1 54 ? 3.469 25.730 0.849 1.00 0.00 ? 54 SER A HB2 18 ATOM 26726 H HB3 . SER A 1 54 ? 3.990 26.561 2.315 1.00 0.00 ? 54 SER A HB3 18 ATOM 26727 H HG . SER A 1 54 ? 3.550 27.847 -0.175 1.00 0.00 ? 54 SER A HG 18 ATOM 26728 N N . GLU A 1 55 ? 6.630 25.599 2.717 1.00 0.00 ? 55 GLU A N 18 ATOM 26729 C CA . GLU A 1 55 ? 7.320 24.591 3.514 1.00 0.00 ? 55 GLU A CA 18 ATOM 26730 C C . GLU A 1 55 ? 6.321 23.679 4.220 1.00 0.00 ? 55 GLU A C 18 ATOM 26731 O O . GLU A 1 55 ? 6.318 22.466 4.011 1.00 0.00 ? 55 GLU A O 18 ATOM 26732 C CB . GLU A 1 55 ? 8.233 25.260 4.543 1.00 0.00 ? 55 GLU A CB 18 ATOM 26733 C CG . GLU A 1 55 ? 9.276 24.325 5.130 1.00 0.00 ? 55 GLU A CG 18 ATOM 26734 C CD . GLU A 1 55 ? 10.027 24.945 6.293 1.00 0.00 ? 55 GLU A CD 18 ATOM 26735 O OE1 . GLU A 1 55 ? 9.426 25.090 7.377 1.00 0.00 ? 55 GLU A OE1 18 ATOM 26736 O OE2 . GLU A 1 55 ? 11.216 25.285 6.118 1.00 0.00 ? 55 GLU A OE2 18 ATOM 26737 H H . GLU A 1 55 ? 6.497 26.495 3.090 1.00 0.00 ? 55 GLU A H 18 ATOM 26738 H HA . GLU A 1 55 ? 7.923 23.995 2.845 1.00 0.00 ? 55 GLU A HA 18 ATOM 26739 H HB2 . GLU A 1 55 ? 8.744 26.086 4.071 1.00 0.00 ? 55 GLU A HB2 18 ATOM 26740 H HB3 . GLU A 1 55 ? 7.625 25.640 5.352 1.00 0.00 ? 55 GLU A HB3 18 ATOM 26741 H HG2 . GLU A 1 55 ? 8.784 23.429 5.477 1.00 0.00 ? 55 GLU A HG2 18 ATOM 26742 H HG3 . GLU A 1 55 ? 9.986 24.068 4.358 1.00 0.00 ? 55 GLU A HG3 18 ATOM 26743 N N . GLN A 1 56 ? 5.475 24.272 5.056 1.00 0.00 ? 56 GLN A N 18 ATOM 26744 C CA . GLN A 1 56 ? 4.473 23.513 5.794 1.00 0.00 ? 56 GLN A CA 18 ATOM 26745 C C . GLN A 1 56 ? 3.880 22.407 4.927 1.00 0.00 ? 56 GLN A C 18 ATOM 26746 O O . GLN A 1 56 ? 3.916 21.233 5.292 1.00 0.00 ? 56 GLN A O 18 ATOM 26747 C CB . GLN A 1 56 ? 3.361 24.441 6.287 1.00 0.00 ? 56 GLN A CB 18 ATOM 26748 C CG . GLN A 1 56 ? 3.716 25.192 7.561 1.00 0.00 ? 56 GLN A CG 18 ATOM 26749 C CD . GLN A 1 56 ? 4.406 26.514 7.286 1.00 0.00 ? 56 GLN A CD 18 ATOM 26750 O OE1 . GLN A 1 56 ? 4.035 27.241 6.364 1.00 0.00 ? 56 GLN A OE1 18 ATOM 26751 N NE2 . GLN A 1 56 ? 5.416 26.832 8.087 1.00 0.00 ? 56 GLN A NE2 18 ATOM 26752 H H . GLN A 1 56 ? 5.527 25.243 5.180 1.00 0.00 ? 56 GLN A H 18 ATOM 26753 H HA . GLN A 1 56 ? 4.958 23.064 6.647 1.00 0.00 ? 56 GLN A HA 18 ATOM 26754 H HB2 . GLN A 1 56 ? 3.144 25.165 5.516 1.00 0.00 ? 56 GLN A HB2 18 ATOM 26755 H HB3 . GLN A 1 56 ? 2.475 23.853 6.477 1.00 0.00 ? 56 GLN A HB3 18 ATOM 26756 H HG2 . GLN A 1 56 ? 2.808 25.386 8.114 1.00 0.00 ? 56 GLN A HG2 18 ATOM 26757 H HG3 . GLN A 1 56 ? 4.374 24.576 8.155 1.00 0.00 ? 56 GLN A HG3 18 ATOM 26758 H HE21 . GLN A 1 56 ? 5.656 26.203 8.800 1.00 0.00 ? 56 GLN A HE21 18 ATOM 26759 H HE22 . GLN A 1 56 ? 5.880 27.680 7.931 1.00 0.00 ? 56 GLN A HE22 18 ATOM 26760 N N . ALA A 1 57 ? 3.335 22.791 3.777 1.00 0.00 ? 57 ALA A N 18 ATOM 26761 C CA . ALA A 1 57 ? 2.737 21.831 2.858 1.00 0.00 ? 57 ALA A CA 18 ATOM 26762 C C . ALA A 1 57 ? 3.689 20.674 2.575 1.00 0.00 ? 57 ALA A C 18 ATOM 26763 O O . ALA A 1 57 ? 3.376 19.517 2.853 1.00 0.00 ? 57 ALA A O 18 ATOM 26764 C CB . ALA A 1 57 ? 2.341 22.520 1.560 1.00 0.00 ? 57 ALA A CB 18 ATOM 26765 H H . ALA A 1 57 ? 3.337 23.742 3.541 1.00 0.00 ? 57 ALA A H 18 ATOM 26766 H HA . ALA A 1 57 ? 1.840 21.442 3.318 1.00 0.00 ? 57 ALA A HA 18 ATOM 26767 H HB1 . ALA A 1 57 ? 2.948 23.403 1.422 1.00 0.00 ? 57 ALA A HB1 18 ATOM 26768 H HB2 . ALA A 1 57 ? 2.494 21.844 0.732 1.00 0.00 ? 57 ALA A HB2 18 ATOM 26769 H HB3 . ALA A 1 57 ? 1.300 22.803 1.607 1.00 0.00 ? 57 ALA A HB3 18 ATOM 26770 N N . HIS A 1 58 ? 4.854 20.995 2.019 1.00 0.00 ? 58 HIS A N 18 ATOM 26771 C CA . HIS A 1 58 ? 5.852 19.981 1.699 1.00 0.00 ? 58 HIS A CA 18 ATOM 26772 C C . HIS A 1 58 ? 5.967 18.956 2.823 1.00 0.00 ? 58 HIS A C 18 ATOM 26773 O O . HIS A 1 58 ? 5.834 17.753 2.597 1.00 0.00 ? 58 HIS A O 18 ATOM 26774 C CB . HIS A 1 58 ? 7.212 20.635 1.448 1.00 0.00 ? 58 HIS A CB 18 ATOM 26775 C CG . HIS A 1 58 ? 8.301 19.654 1.140 1.00 0.00 ? 58 HIS A CG 18 ATOM 26776 N ND1 . HIS A 1 58 ? 8.786 18.754 2.065 1.00 0.00 ? 58 HIS A ND1 18 ATOM 26777 C CD2 . HIS A 1 58 ? 8.998 19.434 0.001 1.00 0.00 ? 58 HIS A CD2 18 ATOM 26778 C CE1 . HIS A 1 58 ? 9.736 18.024 1.509 1.00 0.00 ? 58 HIS A CE1 18 ATOM 26779 N NE2 . HIS A 1 58 ? 9.884 18.416 0.257 1.00 0.00 ? 58 HIS A NE2 18 ATOM 26780 H H . HIS A 1 58 ? 5.046 21.935 1.821 1.00 0.00 ? 58 HIS A H 18 ATOM 26781 H HA . HIS A 1 58 ? 5.535 19.475 0.799 1.00 0.00 ? 58 HIS A HA 18 ATOM 26782 H HB2 . HIS A 1 58 ? 7.129 21.312 0.610 1.00 0.00 ? 58 HIS A HB2 18 ATOM 26783 H HB3 . HIS A 1 58 ? 7.504 21.192 2.327 1.00 0.00 ? 58 HIS A HB3 18 ATOM 26784 H HD1 . HIS A 1 58 ? 8.481 18.665 2.992 1.00 0.00 ? 58 HIS A HD1 18 ATOM 26785 H HD2 . HIS A 1 58 ? 8.881 19.961 -0.935 1.00 0.00 ? 58 HIS A HD2 18 ATOM 26786 H HE1 . HIS A 1 58 ? 10.297 17.239 1.995 1.00 0.00 ? 58 HIS A HE1 18 ATOM 26787 H HE2 . HIS A 1 58 ? 10.580 18.099 -0.356 1.00 0.00 ? 58 HIS A HE2 18 ATOM 26788 N N . LEU A 1 59 ? 6.216 19.441 4.035 1.00 0.00 ? 59 LEU A N 18 ATOM 26789 C CA . LEU A 1 59 ? 6.350 18.567 5.196 1.00 0.00 ? 59 LEU A CA 18 ATOM 26790 C C . LEU A 1 59 ? 5.202 17.564 5.257 1.00 0.00 ? 59 LEU A C 18 ATOM 26791 O O . LEU A 1 59 ? 5.413 16.357 5.138 1.00 0.00 ? 59 LEU A O 18 ATOM 26792 C CB . LEU A 1 59 ? 6.387 19.396 6.481 1.00 0.00 ? 59 LEU A CB 18 ATOM 26793 C CG . LEU A 1 59 ? 7.761 19.917 6.904 1.00 0.00 ? 59 LEU A CG 18 ATOM 26794 C CD1 . LEU A 1 59 ? 8.528 20.439 5.699 1.00 0.00 ? 59 LEU A CD1 18 ATOM 26795 C CD2 . LEU A 1 59 ? 7.617 21.004 7.959 1.00 0.00 ? 59 LEU A CD2 18 ATOM 26796 H H . LEU A 1 59 ? 6.312 20.409 4.153 1.00 0.00 ? 59 LEU A H 18 ATOM 26797 H HA . LEU A 1 59 ? 7.279 18.027 5.098 1.00 0.00 ? 59 LEU A HA 18 ATOM 26798 H HB2 . LEU A 1 59 ? 5.738 20.248 6.344 1.00 0.00 ? 59 LEU A HB2 18 ATOM 26799 H HB3 . LEU A 1 59 ? 6.004 18.780 7.282 1.00 0.00 ? 59 LEU A HB3 18 ATOM 26800 H HG . LEU A 1 59 ? 8.329 19.105 7.335 1.00 0.00 ? 59 LEU A HG 18 ATOM 26801 H HD11 . LEU A 1 59 ? 9.555 20.621 5.978 1.00 0.00 ? 59 LEU A HD11 18 ATOM 26802 H HD12 . LEU A 1 59 ? 8.079 21.359 5.358 1.00 0.00 ? 59 LEU A HD12 18 ATOM 26803 H HD13 . LEU A 1 59 ? 8.494 19.706 4.906 1.00 0.00 ? 59 LEU A HD13 18 ATOM 26804 H HD21 . LEU A 1 59 ? 6.781 21.640 7.708 1.00 0.00 ? 59 LEU A HD21 18 ATOM 26805 H HD22 . LEU A 1 59 ? 8.521 21.595 7.993 1.00 0.00 ? 59 LEU A HD22 18 ATOM 26806 H HD23 . LEU A 1 59 ? 7.447 20.549 8.924 1.00 0.00 ? 59 LEU A HD23 18 ATOM 26807 N N . SER A 1 60 ? 3.988 18.072 5.441 1.00 0.00 ? 60 SER A N 18 ATOM 26808 C CA . SER A 1 60 ? 2.807 17.220 5.520 1.00 0.00 ? 60 SER A CA 18 ATOM 26809 C C . SER A 1 60 ? 2.928 16.035 4.567 1.00 0.00 ? 60 SER A C 18 ATOM 26810 O O . SER A 1 60 ? 2.424 14.946 4.845 1.00 0.00 ? 60 SER A O 18 ATOM 26811 C CB . SER A 1 60 ? 1.548 18.026 5.192 1.00 0.00 ? 60 SER A CB 18 ATOM 26812 O OG . SER A 1 60 ? 1.437 18.255 3.798 1.00 0.00 ? 60 SER A OG 18 ATOM 26813 H H . SER A 1 60 ? 3.884 19.043 5.529 1.00 0.00 ? 60 SER A H 18 ATOM 26814 H HA . SER A 1 60 ? 2.733 16.848 6.531 1.00 0.00 ? 60 SER A HA 18 ATOM 26815 H HB2 . SER A 1 60 ? 0.678 17.482 5.526 1.00 0.00 ? 60 SER A HB2 18 ATOM 26816 H HB3 . SER A 1 60 ? 1.593 18.979 5.699 1.00 0.00 ? 60 SER A HB3 18 ATOM 26817 H HG . SER A 1 60 ? 1.440 17.415 3.335 1.00 0.00 ? 60 SER A HG 18 ATOM 26818 N N . LEU A 1 61 ? 3.599 16.255 3.442 1.00 0.00 ? 61 LEU A N 18 ATOM 26819 C CA . LEU A 1 61 ? 3.787 15.205 2.446 1.00 0.00 ? 61 LEU A CA 18 ATOM 26820 C C . LEU A 1 61 ? 5.046 14.395 2.739 1.00 0.00 ? 61 LEU A C 18 ATOM 26821 O O . LEU A 1 61 ? 4.971 13.207 3.051 1.00 0.00 ? 61 LEU A O 18 ATOM 26822 C CB . LEU A 1 61 ? 3.874 15.814 1.045 1.00 0.00 ? 61 LEU A CB 18 ATOM 26823 C CG . LEU A 1 61 ? 2.804 16.849 0.696 1.00 0.00 ? 61 LEU A CG 18 ATOM 26824 C CD1 . LEU A 1 61 ? 3.266 17.726 -0.458 1.00 0.00 ? 61 LEU A CD1 18 ATOM 26825 C CD2 . LEU A 1 61 ? 1.489 16.163 0.354 1.00 0.00 ? 61 LEU A CD2 18 ATOM 26826 H H . LEU A 1 61 ? 3.977 17.143 3.276 1.00 0.00 ? 61 LEU A H 18 ATOM 26827 H HA . LEU A 1 61 ? 2.931 14.548 2.492 1.00 0.00 ? 61 LEU A HA 18 ATOM 26828 H HB2 . LEU A 1 61 ? 4.837 16.290 0.951 1.00 0.00 ? 61 LEU A HB2 18 ATOM 26829 H HB3 . LEU A 1 61 ? 3.801 15.007 0.330 1.00 0.00 ? 61 LEU A HB3 18 ATOM 26830 H HG . LEU A 1 61 ? 2.636 17.488 1.553 1.00 0.00 ? 61 LEU A HG 18 ATOM 26831 H HD11 . LEU A 1 61 ? 3.814 17.126 -1.169 1.00 0.00 ? 61 LEU A HD11 18 ATOM 26832 H HD12 . LEU A 1 61 ? 3.905 18.511 -0.080 1.00 0.00 ? 61 LEU A HD12 18 ATOM 26833 H HD13 . LEU A 1 61 ? 2.406 18.165 -0.943 1.00 0.00 ? 61 LEU A HD13 18 ATOM 26834 H HD21 . LEU A 1 61 ? 0.954 15.939 1.264 1.00 0.00 ? 61 LEU A HD21 18 ATOM 26835 H HD22 . LEU A 1 61 ? 1.691 15.246 -0.181 1.00 0.00 ? 61 LEU A HD22 18 ATOM 26836 H HD23 . LEU A 1 61 ? 0.892 16.817 -0.264 1.00 0.00 ? 61 LEU A HD23 18 ATOM 26837 N N . GLU A 1 62 ? 6.200 15.048 2.639 1.00 0.00 ? 62 GLU A N 18 ATOM 26838 C CA . GLU A 1 62 ? 7.474 14.387 2.896 1.00 0.00 ? 62 GLU A CA 18 ATOM 26839 C C . GLU A 1 62 ? 7.343 13.373 4.028 1.00 0.00 ? 62 GLU A C 18 ATOM 26840 O O . GLU A 1 62 ? 8.033 12.352 4.046 1.00 0.00 ? 62 GLU A O 18 ATOM 26841 C CB . GLU A 1 62 ? 8.548 15.420 3.243 1.00 0.00 ? 62 GLU A CB 18 ATOM 26842 C CG . GLU A 1 62 ? 8.646 15.721 4.729 1.00 0.00 ? 62 GLU A CG 18 ATOM 26843 C CD . GLU A 1 62 ? 9.680 16.784 5.043 1.00 0.00 ? 62 GLU A CD 18 ATOM 26844 O OE1 . GLU A 1 62 ? 9.669 17.839 4.374 1.00 0.00 ? 62 GLU A OE1 18 ATOM 26845 O OE2 . GLU A 1 62 ? 10.500 16.562 5.958 1.00 0.00 ? 62 GLU A OE2 18 ATOM 26846 H H . GLU A 1 62 ? 6.194 15.994 2.387 1.00 0.00 ? 62 GLU A H 18 ATOM 26847 H HA . GLU A 1 62 ? 7.766 13.868 1.996 1.00 0.00 ? 62 GLU A HA 18 ATOM 26848 H HB2 . GLU A 1 62 ? 9.507 15.052 2.907 1.00 0.00 ? 62 GLU A HB2 18 ATOM 26849 H HB3 . GLU A 1 62 ? 8.325 16.341 2.725 1.00 0.00 ? 62 GLU A HB3 18 ATOM 26850 H HG2 . GLU A 1 62 ? 7.683 16.063 5.078 1.00 0.00 ? 62 GLU A HG2 18 ATOM 26851 H HG3 . GLU A 1 62 ? 8.914 14.814 5.250 1.00 0.00 ? 62 GLU A HG3 18 ATOM 26852 N N . LEU A 1 63 ? 6.454 13.661 4.972 1.00 0.00 ? 63 LEU A N 18 ATOM 26853 C CA . LEU A 1 63 ? 6.232 12.775 6.110 1.00 0.00 ? 63 LEU A CA 18 ATOM 26854 C C . LEU A 1 63 ? 5.274 11.646 5.742 1.00 0.00 ? 63 LEU A C 18 ATOM 26855 O O . LEU A 1 63 ? 5.606 10.469 5.880 1.00 0.00 ? 63 LEU A O 18 ATOM 26856 C CB . LEU A 1 63 ? 5.676 13.565 7.296 1.00 0.00 ? 63 LEU A CB 18 ATOM 26857 C CG . LEU A 1 63 ? 6.626 14.581 7.930 1.00 0.00 ? 63 LEU A CG 18 ATOM 26858 C CD1 . LEU A 1 63 ? 5.842 15.667 8.651 1.00 0.00 ? 63 LEU A CD1 18 ATOM 26859 C CD2 . LEU A 1 63 ? 7.585 13.889 8.887 1.00 0.00 ? 63 LEU A CD2 18 ATOM 26860 H H . LEU A 1 63 ? 5.934 14.488 4.904 1.00 0.00 ? 63 LEU A H 18 ATOM 26861 H HA . LEU A 1 63 ? 7.184 12.347 6.387 1.00 0.00 ? 63 LEU A HA 18 ATOM 26862 H HB2 . LEU A 1 63 ? 4.801 14.098 6.957 1.00 0.00 ? 63 LEU A HB2 18 ATOM 26863 H HB3 . LEU A 1 63 ? 5.390 12.856 8.060 1.00 0.00 ? 63 LEU A HB3 18 ATOM 26864 H HG . LEU A 1 63 ? 7.210 15.053 7.152 1.00 0.00 ? 63 LEU A HG 18 ATOM 26865 H HD11 . LEU A 1 63 ? 5.399 16.333 7.926 1.00 0.00 ? 63 LEU A HD11 18 ATOM 26866 H HD12 . LEU A 1 63 ? 6.508 16.226 9.293 1.00 0.00 ? 63 LEU A HD12 18 ATOM 26867 H HD13 . LEU A 1 63 ? 5.064 15.214 9.247 1.00 0.00 ? 63 LEU A HD13 18 ATOM 26868 H HD21 . LEU A 1 63 ? 7.064 13.637 9.799 1.00 0.00 ? 63 LEU A HD21 18 ATOM 26869 H HD22 . LEU A 1 63 ? 8.408 14.552 9.114 1.00 0.00 ? 63 LEU A HD22 18 ATOM 26870 H HD23 . LEU A 1 63 ? 7.965 12.989 8.428 1.00 0.00 ? 63 LEU A HD23 18 ATOM 26871 N N . GLN A 1 64 ? 4.087 12.014 5.271 1.00 0.00 ? 64 GLN A N 18 ATOM 26872 C CA . GLN A 1 64 ? 3.082 11.032 4.882 1.00 0.00 ? 64 GLN A CA 18 ATOM 26873 C C . GLN A 1 64 ? 3.658 10.030 3.887 1.00 0.00 ? 64 GLN A C 18 ATOM 26874 O O . GLN A 1 64 ? 3.208 8.886 3.813 1.00 0.00 ? 64 GLN A O 18 ATOM 26875 C CB . GLN A 1 64 ? 1.864 11.730 4.274 1.00 0.00 ? 64 GLN A CB 18 ATOM 26876 C CG . GLN A 1 64 ? 0.836 10.769 3.701 1.00 0.00 ? 64 GLN A CG 18 ATOM 26877 C CD . GLN A 1 64 ? -0.566 11.348 3.698 1.00 0.00 ? 64 GLN A CD 18 ATOM 26878 O OE1 . GLN A 1 64 ? -1.186 11.497 2.645 1.00 0.00 ? 64 GLN A OE1 18 ATOM 26879 N NE2 . GLN A 1 64 ? -1.072 11.678 4.880 1.00 0.00 ? 64 GLN A NE2 18 ATOM 26880 H H . GLN A 1 64 ? 3.882 12.968 5.184 1.00 0.00 ? 64 GLN A H 18 ATOM 26881 H HA . GLN A 1 64 ? 2.775 10.502 5.771 1.00 0.00 ? 64 GLN A HA 18 ATOM 26882 H HB2 . GLN A 1 64 ? 1.385 12.323 5.039 1.00 0.00 ? 64 GLN A HB2 18 ATOM 26883 H HB3 . GLN A 1 64 ? 2.197 12.383 3.481 1.00 0.00 ? 64 GLN A HB3 18 ATOM 26884 H HG2 . GLN A 1 64 ? 1.112 10.531 2.684 1.00 0.00 ? 64 GLN A HG2 18 ATOM 26885 H HG3 . GLN A 1 64 ? 0.836 9.867 4.293 1.00 0.00 ? 64 GLN A HG3 18 ATOM 26886 H HE21 . GLN A 1 64 ? -0.520 11.532 5.677 1.00 0.00 ? 64 GLN A HE21 18 ATOM 26887 H HE22 . GLN A 1 64 ? -1.976 12.055 4.907 1.00 0.00 ? 64 GLN A HE22 18 ATOM 26888 N N . ARG A 1 65 ? 4.654 10.467 3.124 1.00 0.00 ? 65 ARG A N 18 ATOM 26889 C CA . ARG A 1 65 ? 5.290 9.608 2.132 1.00 0.00 ? 65 ARG A CA 18 ATOM 26890 C C . ARG A 1 65 ? 6.078 8.489 2.806 1.00 0.00 ? 65 ARG A C 18 ATOM 26891 O O . ARG A 1 65 ? 6.075 7.348 2.345 1.00 0.00 ? 65 ARG A O 18 ATOM 26892 C CB . ARG A 1 65 ? 6.216 10.430 1.233 1.00 0.00 ? 65 ARG A CB 18 ATOM 26893 C CG . ARG A 1 65 ? 6.951 9.599 0.194 1.00 0.00 ? 65 ARG A CG 18 ATOM 26894 C CD . ARG A 1 65 ? 7.752 10.476 -0.755 1.00 0.00 ? 65 ARG A CD 18 ATOM 26895 N NE . ARG A 1 65 ? 8.917 9.778 -1.294 1.00 0.00 ? 65 ARG A NE 18 ATOM 26896 C CZ . ARG A 1 65 ? 8.845 8.859 -2.250 1.00 0.00 ? 65 ARG A CZ 18 ATOM 26897 N NH1 . ARG A 1 65 ? 7.671 8.529 -2.771 1.00 0.00 ? 65 ARG A NH1 18 ATOM 26898 N NH2 . ARG A 1 65 ? 9.950 8.268 -2.688 1.00 0.00 ? 65 ARG A NH2 18 ATOM 26899 H H . ARG A 1 65 ? 4.969 11.389 3.229 1.00 0.00 ? 65 ARG A H 18 ATOM 26900 H HA . ARG A 1 65 ? 4.512 9.169 1.526 1.00 0.00 ? 65 ARG A HA 18 ATOM 26901 H HB2 . ARG A 1 65 ? 5.629 11.175 0.717 1.00 0.00 ? 65 ARG A HB2 18 ATOM 26902 H HB3 . ARG A 1 65 ? 6.950 10.925 1.851 1.00 0.00 ? 65 ARG A HB3 18 ATOM 26903 H HG2 . ARG A 1 65 ? 7.626 8.923 0.698 1.00 0.00 ? 65 ARG A HG2 18 ATOM 26904 H HG3 . ARG A 1 65 ? 6.229 9.032 -0.375 1.00 0.00 ? 65 ARG A HG3 18 ATOM 26905 H HD2 . ARG A 1 65 ? 7.114 10.775 -1.573 1.00 0.00 ? 65 ARG A HD2 18 ATOM 26906 H HD3 . ARG A 1 65 ? 8.085 11.352 -0.219 1.00 0.00 ? 65 ARG A HD3 18 ATOM 26907 H HE . ARG A 1 65 ? 9.794 10.006 -0.923 1.00 0.00 ? 65 ARG A HE 18 ATOM 26908 H HH11 . ARG A 1 65 ? 6.838 8.973 -2.444 1.00 0.00 ? 65 ARG A HH11 18 ATOM 26909 H HH12 . ARG A 1 65 ? 7.620 7.838 -3.492 1.00 0.00 ? 65 ARG A HH12 18 ATOM 26910 H HH21 . ARG A 1 65 ? 10.836 8.514 -2.298 1.00 0.00 ? 65 ARG A HH21 18 ATOM 26911 H HH22 . ARG A 1 65 ? 9.895 7.577 -3.407 1.00 0.00 ? 65 ARG A HH22 18 ATOM 26912 N N . ASP A 1 66 ? 6.753 8.825 3.900 1.00 0.00 ? 66 ASP A N 18 ATOM 26913 C CA . ASP A 1 66 ? 7.546 7.850 4.639 1.00 0.00 ? 66 ASP A CA 18 ATOM 26914 C C . ASP A 1 66 ? 6.759 6.561 4.856 1.00 0.00 ? 66 ASP A C 18 ATOM 26915 O O . ASP A 1 66 ? 7.218 5.475 4.503 1.00 0.00 ? 66 ASP A O 18 ATOM 26916 C CB . ASP A 1 66 ? 7.981 8.429 5.986 1.00 0.00 ? 66 ASP A CB 18 ATOM 26917 C CG . ASP A 1 66 ? 8.643 7.394 6.875 1.00 0.00 ? 66 ASP A CG 18 ATOM 26918 O OD1 . ASP A 1 66 ? 9.741 6.920 6.517 1.00 0.00 ? 66 ASP A OD1 18 ATOM 26919 O OD2 . ASP A 1 66 ? 8.062 7.058 7.928 1.00 0.00 ? 66 ASP A OD2 18 ATOM 26920 H H . ASP A 1 66 ? 6.717 9.752 4.219 1.00 0.00 ? 66 ASP A H 18 ATOM 26921 H HA . ASP A 1 66 ? 8.425 7.625 4.054 1.00 0.00 ? 66 ASP A HA 18 ATOM 26922 H HB2 . ASP A 1 66 ? 8.684 9.232 5.815 1.00 0.00 ? 66 ASP A HB2 18 ATOM 26923 H HB3 . ASP A 1 66 ? 7.115 8.818 6.500 1.00 0.00 ? 66 ASP A HB3 18 ATOM 26924 N N . SER A 1 67 ? 5.572 6.691 5.439 1.00 0.00 ? 67 SER A N 18 ATOM 26925 C CA . SER A 1 67 ? 4.722 5.536 5.708 1.00 0.00 ? 67 SER A CA 18 ATOM 26926 C C . SER A 1 67 ? 4.333 4.835 4.411 1.00 0.00 ? 67 SER A C 18 ATOM 26927 O O . SER A 1 67 ? 4.620 3.653 4.220 1.00 0.00 ? 67 SER A O 18 ATOM 26928 C CB . SER A 1 67 ? 3.465 5.967 6.466 1.00 0.00 ? 67 SER A CB 18 ATOM 26929 O OG . SER A 1 67 ? 2.524 6.568 5.592 1.00 0.00 ? 67 SER A OG 18 ATOM 26930 H H . SER A 1 67 ? 5.261 7.584 5.698 1.00 0.00 ? 67 SER A H 18 ATOM 26931 H HA . SER A 1 67 ? 5.283 4.847 6.322 1.00 0.00 ? 67 SER A HA 18 ATOM 26932 H HB2 . SER A 1 67 ? 3.010 5.103 6.925 1.00 0.00 ? 67 SER A HB2 18 ATOM 26933 H HB3 . SER A 1 67 ? 3.735 6.681 7.230 1.00 0.00 ? 67 SER A HB3 18 ATOM 26934 H HG . SER A 1 67 ? 2.681 7.514 5.554 1.00 0.00 ? 67 SER A HG 18 ATOM 26935 N N . HIS A 1 68 ? 3.676 5.572 3.520 1.00 0.00 ? 68 HIS A N 18 ATOM 26936 C CA . HIS A 1 68 ? 3.246 5.022 2.240 1.00 0.00 ? 68 HIS A CA 18 ATOM 26937 C C . HIS A 1 68 ? 4.291 4.059 1.684 1.00 0.00 ? 68 HIS A C 18 ATOM 26938 O O . HIS A 1 68 ? 3.963 3.131 0.945 1.00 0.00 ? 68 HIS A O 18 ATOM 26939 C CB . HIS A 1 68 ? 2.990 6.148 1.237 1.00 0.00 ? 68 HIS A CB 18 ATOM 26940 C CG . HIS A 1 68 ? 1.585 6.665 1.264 1.00 0.00 ? 68 HIS A CG 18 ATOM 26941 N ND1 . HIS A 1 68 ? 0.525 5.994 0.690 1.00 0.00 ? 68 HIS A ND1 18 ATOM 26942 C CD2 . HIS A 1 68 ? 1.067 7.794 1.801 1.00 0.00 ? 68 HIS A CD2 18 ATOM 26943 C CE1 . HIS A 1 68 ? -0.583 6.690 0.872 1.00 0.00 ? 68 HIS A CE1 18 ATOM 26944 N NE2 . HIS A 1 68 ? -0.282 7.786 1.544 1.00 0.00 ? 68 HIS A NE2 18 ATOM 26945 H H . HIS A 1 68 ? 3.476 6.508 3.730 1.00 0.00 ? 68 HIS A H 18 ATOM 26946 H HA . HIS A 1 68 ? 2.327 4.481 2.403 1.00 0.00 ? 68 HIS A HA 18 ATOM 26947 H HB2 . HIS A 1 68 ? 3.651 6.974 1.457 1.00 0.00 ? 68 HIS A HB2 18 ATOM 26948 H HB3 . HIS A 1 68 ? 3.193 5.786 0.240 1.00 0.00 ? 68 HIS A HB3 18 ATOM 26949 H HD1 . HIS A 1 68 ? 0.578 5.137 0.219 1.00 0.00 ? 68 HIS A HD1 18 ATOM 26950 H HD2 . HIS A 1 68 ? 1.613 8.561 2.334 1.00 0.00 ? 68 HIS A HD2 18 ATOM 26951 H HE1 . HIS A 1 68 ? -1.569 6.410 0.530 1.00 0.00 ? 68 HIS A HE1 18 ATOM 26952 H HE2 . HIS A 1 68 ? -0.904 8.518 1.738 1.00 0.00 ? 68 HIS A HE2 18 ATOM 26953 N N . MET A 1 69 ? 5.550 4.286 2.046 1.00 0.00 ? 69 MET A N 18 ATOM 26954 C CA . MET A 1 69 ? 6.642 3.438 1.584 1.00 0.00 ? 69 MET A CA 18 ATOM 26955 C C . MET A 1 69 ? 6.989 2.381 2.628 1.00 0.00 ? 69 MET A C 18 ATOM 26956 O O . MET A 1 69 ? 7.267 1.230 2.293 1.00 0.00 ? 69 MET A O 18 ATOM 26957 C CB . MET A 1 69 ? 7.876 4.285 1.268 1.00 0.00 ? 69 MET A CB 18 ATOM 26958 C CG . MET A 1 69 ? 7.817 4.962 -0.091 1.00 0.00 ? 69 MET A CG 18 ATOM 26959 S SD . MET A 1 69 ? 7.598 3.788 -1.443 1.00 0.00 ? 69 MET A SD 18 ATOM 26960 C CE . MET A 1 69 ? 8.714 2.481 -0.940 1.00 0.00 ? 69 MET A CE 18 ATOM 26961 H H . MET A 1 69 ? 5.749 5.041 2.638 1.00 0.00 ? 69 MET A H 18 ATOM 26962 H HA . MET A 1 69 ? 6.317 2.942 0.681 1.00 0.00 ? 69 MET A HA 18 ATOM 26963 H HB2 . MET A 1 69 ? 7.975 5.050 2.023 1.00 0.00 ? 69 MET A HB2 18 ATOM 26964 H HB3 . MET A 1 69 ? 8.750 3.651 1.293 1.00 0.00 ? 69 MET A HB3 18 ATOM 26965 H HG2 . MET A 1 69 ? 6.990 5.655 -0.099 1.00 0.00 ? 69 MET A HG2 18 ATOM 26966 H HG3 . MET A 1 69 ? 8.739 5.503 -0.249 1.00 0.00 ? 69 MET A HG3 18 ATOM 26967 H HE1 . MET A 1 69 ? 8.212 1.827 -0.241 1.00 0.00 ? 69 MET A HE1 18 ATOM 26968 H HE2 . MET A 1 69 ? 9.018 1.914 -1.807 1.00 0.00 ? 69 MET A HE2 18 ATOM 26969 H HE3 . MET A 1 69 ? 9.584 2.912 -0.467 1.00 0.00 ? 69 MET A HE3 18 ATOM 26970 N N . LYS A 1 70 ? 6.973 2.781 3.895 1.00 0.00 ? 70 LYS A N 18 ATOM 26971 C CA . LYS A 1 70 ? 7.285 1.869 4.989 1.00 0.00 ? 70 LYS A CA 18 ATOM 26972 C C . LYS A 1 70 ? 6.405 0.625 4.929 1.00 0.00 ? 70 LYS A C 18 ATOM 26973 O O . LYS A 1 70 ? 6.872 -0.488 5.168 1.00 0.00 ? 70 LYS A O 18 ATOM 26974 C CB . LYS A 1 70 ? 7.099 2.573 6.335 1.00 0.00 ? 70 LYS A CB 18 ATOM 26975 C CG . LYS A 1 70 ? 5.703 2.420 6.914 1.00 0.00 ? 70 LYS A CG 18 ATOM 26976 C CD . LYS A 1 70 ? 5.585 3.093 8.271 1.00 0.00 ? 70 LYS A CD 18 ATOM 26977 C CE . LYS A 1 70 ? 6.296 2.294 9.353 1.00 0.00 ? 70 LYS A CE 18 ATOM 26978 N NZ . LYS A 1 70 ? 6.587 3.124 10.554 1.00 0.00 ? 70 LYS A NZ 18 ATOM 26979 H H . LYS A 1 70 ? 6.744 3.712 4.099 1.00 0.00 ? 70 LYS A H 18 ATOM 26980 H HA . LYS A 1 70 ? 8.317 1.571 4.888 1.00 0.00 ? 70 LYS A HA 18 ATOM 26981 H HB2 . LYS A 1 70 ? 7.806 2.164 7.043 1.00 0.00 ? 70 LYS A HB2 18 ATOM 26982 H HB3 . LYS A 1 70 ? 7.300 3.627 6.208 1.00 0.00 ? 70 LYS A HB3 18 ATOM 26983 H HG2 . LYS A 1 70 ? 4.992 2.871 6.238 1.00 0.00 ? 70 LYS A HG2 18 ATOM 26984 H HG3 . LYS A 1 70 ? 5.481 1.368 7.023 1.00 0.00 ? 70 LYS A HG3 18 ATOM 26985 H HD2 . LYS A 1 70 ? 6.028 4.076 8.216 1.00 0.00 ? 70 LYS A HD2 18 ATOM 26986 H HD3 . LYS A 1 70 ? 4.539 3.182 8.530 1.00 0.00 ? 70 LYS A HD3 18 ATOM 26987 H HE2 . LYS A 1 70 ? 5.667 1.466 9.642 1.00 0.00 ? 70 LYS A HE2 18 ATOM 26988 H HE3 . LYS A 1 70 ? 7.225 1.918 8.952 1.00 0.00 ? 70 LYS A HE3 18 ATOM 26989 H HZ1 . LYS A 1 70 ? 6.783 2.512 11.372 1.00 0.00 ? 70 LYS A HZ1 18 ATOM 26990 H HZ2 . LYS A 1 70 ? 5.772 3.730 10.777 1.00 0.00 ? 70 LYS A HZ2 18 ATOM 26991 H HZ3 . LYS A 1 70 ? 7.416 3.727 10.380 1.00 0.00 ? 70 LYS A HZ3 18 ATOM 26992 N N . GLN A 1 71 ? 5.131 0.822 4.606 1.00 0.00 ? 71 GLN A N 18 ATOM 26993 C CA . GLN A 1 71 ? 4.187 -0.286 4.513 1.00 0.00 ? 71 GLN A CA 18 ATOM 26994 C C . GLN A 1 71 ? 4.445 -1.118 3.261 1.00 0.00 ? 71 GLN A C 18 ATOM 26995 O O . GLN A 1 71 ? 4.219 -2.328 3.250 1.00 0.00 ? 71 GLN A O 18 ATOM 26996 C CB . GLN A 1 71 ? 2.751 0.240 4.503 1.00 0.00 ? 71 GLN A CB 18 ATOM 26997 C CG . GLN A 1 71 ? 2.194 0.517 5.890 1.00 0.00 ? 71 GLN A CG 18 ATOM 26998 C CD . GLN A 1 71 ? 2.049 -0.742 6.722 1.00 0.00 ? 71 GLN A CD 18 ATOM 26999 O OE1 . GLN A 1 71 ? 0.975 -1.343 6.777 1.00 0.00 ? 71 GLN A OE1 18 ATOM 27000 N NE2 . GLN A 1 71 ? 3.131 -1.149 7.376 1.00 0.00 ? 71 GLN A NE2 18 ATOM 27001 H H . GLN A 1 71 ? 4.818 1.732 4.426 1.00 0.00 ? 71 GLN A H 18 ATOM 27002 H HA . GLN A 1 71 ? 4.325 -0.912 5.381 1.00 0.00 ? 71 GLN A HA 18 ATOM 27003 H HB2 . GLN A 1 71 ? 2.720 1.159 3.936 1.00 0.00 ? 71 GLN A HB2 18 ATOM 27004 H HB3 . GLN A 1 71 ? 2.116 -0.490 4.024 1.00 0.00 ? 71 GLN A HB3 18 ATOM 27005 H HG2 . GLN A 1 71 ? 2.862 1.193 6.404 1.00 0.00 ? 71 GLN A HG2 18 ATOM 27006 H HG3 . GLN A 1 71 ? 1.223 0.978 5.789 1.00 0.00 ? 71 GLN A HG3 18 ATOM 27007 H HE21 . GLN A 1 71 ? 3.951 -0.619 7.287 1.00 0.00 ? 71 GLN A HE21 18 ATOM 27008 H HE22 . GLN A 1 71 ? 3.065 -1.959 7.922 1.00 0.00 ? 71 GLN A HE22 18 ATOM 27009 N N . LEU A 1 72 ? 4.919 -0.461 2.208 1.00 0.00 ? 72 LEU A N 18 ATOM 27010 C CA . LEU A 1 72 ? 5.208 -1.140 0.949 1.00 0.00 ? 72 LEU A CA 18 ATOM 27011 C C . LEU A 1 72 ? 6.299 -2.189 1.134 1.00 0.00 ? 72 LEU A C 18 ATOM 27012 O O . LEU A 1 72 ? 6.172 -3.322 0.669 1.00 0.00 ? 72 LEU A O 18 ATOM 27013 C CB . LEU A 1 72 ? 5.634 -0.126 -0.114 1.00 0.00 ? 72 LEU A CB 18 ATOM 27014 C CG . LEU A 1 72 ? 5.842 -0.679 -1.524 1.00 0.00 ? 72 LEU A CG 18 ATOM 27015 C CD1 . LEU A 1 72 ? 4.788 -1.726 -1.848 1.00 0.00 ? 72 LEU A CD1 18 ATOM 27016 C CD2 . LEU A 1 72 ? 5.812 0.446 -2.548 1.00 0.00 ? 72 LEU A CD2 18 ATOM 27017 H H . LEU A 1 72 ? 5.079 0.503 2.277 1.00 0.00 ? 72 LEU A H 18 ATOM 27018 H HA . LEU A 1 72 ? 4.304 -1.632 0.623 1.00 0.00 ? 72 LEU A HA 18 ATOM 27019 H HB2 . LEU A 1 72 ? 4.872 0.637 -0.167 1.00 0.00 ? 72 LEU A HB2 18 ATOM 27020 H HB3 . LEU A 1 72 ? 6.565 0.319 0.209 1.00 0.00 ? 72 LEU A HB3 18 ATOM 27021 H HG . LEU A 1 72 ? 6.812 -1.155 -1.577 1.00 0.00 ? 72 LEU A HG 18 ATOM 27022 H HD11 . LEU A 1 72 ? 3.805 -1.296 -1.725 1.00 0.00 ? 72 LEU A HD11 18 ATOM 27023 H HD12 . LEU A 1 72 ? 4.899 -2.567 -1.180 1.00 0.00 ? 72 LEU A HD12 18 ATOM 27024 H HD13 . LEU A 1 72 ? 4.912 -2.058 -2.868 1.00 0.00 ? 72 LEU A HD13 18 ATOM 27025 H HD21 . LEU A 1 72 ? 6.720 1.025 -2.473 1.00 0.00 ? 72 LEU A HD21 18 ATOM 27026 H HD22 . LEU A 1 72 ? 4.961 1.084 -2.357 1.00 0.00 ? 72 LEU A HD22 18 ATOM 27027 H HD23 . LEU A 1 72 ? 5.733 0.027 -3.540 1.00 0.00 ? 72 LEU A HD23 18 ATOM 27028 N N . LEU A 1 73 ? 7.371 -1.805 1.819 1.00 0.00 ? 73 LEU A N 18 ATOM 27029 C CA . LEU A 1 73 ? 8.486 -2.713 2.068 1.00 0.00 ? 73 LEU A CA 18 ATOM 27030 C C . LEU A 1 73 ? 8.064 -3.851 2.992 1.00 0.00 ? 73 LEU A C 18 ATOM 27031 O O . LEU A 1 73 ? 8.624 -4.947 2.940 1.00 0.00 ? 73 LEU A O 18 ATOM 27032 C CB . LEU A 1 73 ? 9.662 -1.952 2.682 1.00 0.00 ? 73 LEU A CB 18 ATOM 27033 C CG . LEU A 1 73 ? 9.973 -0.587 2.067 1.00 0.00 ? 73 LEU A CG 18 ATOM 27034 C CD1 . LEU A 1 73 ? 11.218 0.013 2.701 1.00 0.00 ? 73 LEU A CD1 18 ATOM 27035 C CD2 . LEU A 1 73 ? 10.143 -0.707 0.560 1.00 0.00 ? 73 LEU A CD2 18 ATOM 27036 H H . LEU A 1 73 ? 7.416 -0.889 2.165 1.00 0.00 ? 73 LEU A H 18 ATOM 27037 H HA . LEU A 1 73 ? 8.792 -3.129 1.120 1.00 0.00 ? 73 LEU A HA 18 ATOM 27038 H HB2 . LEU A 1 73 ? 9.448 -1.802 3.729 1.00 0.00 ? 73 LEU A HB2 18 ATOM 27039 H HB3 . LEU A 1 73 ? 10.543 -2.570 2.582 1.00 0.00 ? 73 LEU A HB3 18 ATOM 27040 H HG . LEU A 1 73 ? 9.146 0.084 2.259 1.00 0.00 ? 73 LEU A HG 18 ATOM 27041 H HD11 . LEU A 1 73 ? 11.952 0.211 1.934 1.00 0.00 ? 73 LEU A HD11 18 ATOM 27042 H HD12 . LEU A 1 73 ? 11.627 -0.683 3.419 1.00 0.00 ? 73 LEU A HD12 18 ATOM 27043 H HD13 . LEU A 1 73 ? 10.960 0.935 3.200 1.00 0.00 ? 73 LEU A HD13 18 ATOM 27044 H HD21 . LEU A 1 73 ? 9.190 -0.937 0.108 1.00 0.00 ? 73 LEU A HD21 18 ATOM 27045 H HD22 . LEU A 1 73 ? 10.846 -1.498 0.340 1.00 0.00 ? 73 LEU A HD22 18 ATOM 27046 H HD23 . LEU A 1 73 ? 10.515 0.226 0.164 1.00 0.00 ? 73 LEU A HD23 18 ATOM 27047 N N . LEU A 1 74 ? 7.072 -3.586 3.834 1.00 0.00 ? 74 LEU A N 18 ATOM 27048 C CA . LEU A 1 74 ? 6.572 -4.589 4.768 1.00 0.00 ? 74 LEU A CA 18 ATOM 27049 C C . LEU A 1 74 ? 5.581 -5.525 4.084 1.00 0.00 ? 74 LEU A C 18 ATOM 27050 O O . LEU A 1 74 ? 5.520 -6.715 4.395 1.00 0.00 ? 74 LEU A O 18 ATOM 27051 C CB . LEU A 1 74 ? 5.907 -3.911 5.967 1.00 0.00 ? 74 LEU A CB 18 ATOM 27052 C CG . LEU A 1 74 ? 6.845 -3.443 7.080 1.00 0.00 ? 74 LEU A CG 18 ATOM 27053 C CD1 . LEU A 1 74 ? 6.085 -2.621 8.109 1.00 0.00 ? 74 LEU A CD1 18 ATOM 27054 C CD2 . LEU A 1 74 ? 7.524 -4.633 7.741 1.00 0.00 ? 74 LEU A CD2 18 ATOM 27055 H H . LEU A 1 74 ? 6.665 -2.695 3.829 1.00 0.00 ? 74 LEU A H 18 ATOM 27056 H HA . LEU A 1 74 ? 7.415 -5.168 5.115 1.00 0.00 ? 74 LEU A HA 18 ATOM 27057 H HB2 . LEU A 1 74 ? 5.370 -3.049 5.603 1.00 0.00 ? 74 LEU A HB2 18 ATOM 27058 H HB3 . LEU A 1 74 ? 5.207 -4.614 6.397 1.00 0.00 ? 74 LEU A HB3 18 ATOM 27059 H HG . LEU A 1 74 ? 7.614 -2.813 6.653 1.00 0.00 ? 74 LEU A HG 18 ATOM 27060 H HD11 . LEU A 1 74 ? 5.157 -3.116 8.352 1.00 0.00 ? 74 LEU A HD11 18 ATOM 27061 H HD12 . LEU A 1 74 ? 5.875 -1.642 7.704 1.00 0.00 ? 74 LEU A HD12 18 ATOM 27062 H HD13 . LEU A 1 74 ? 6.684 -2.519 9.002 1.00 0.00 ? 74 LEU A HD13 18 ATOM 27063 H HD21 . LEU A 1 74 ? 8.109 -5.167 7.007 1.00 0.00 ? 74 LEU A HD21 18 ATOM 27064 H HD22 . LEU A 1 74 ? 6.773 -5.293 8.152 1.00 0.00 ? 74 LEU A HD22 18 ATOM 27065 H HD23 . LEU A 1 74 ? 8.171 -4.285 8.533 1.00 0.00 ? 74 LEU A HD23 18 ATOM 27066 N N . ILE A 1 75 ? 4.809 -4.980 3.150 1.00 0.00 ? 75 ILE A N 18 ATOM 27067 C CA . ILE A 1 75 ? 3.823 -5.767 2.420 1.00 0.00 ? 75 ILE A CA 18 ATOM 27068 C C . ILE A 1 75 ? 4.496 -6.695 1.415 1.00 0.00 ? 75 ILE A C 18 ATOM 27069 O O . ILE A 1 75 ? 4.110 -7.855 1.272 1.00 0.00 ? 75 ILE A O 18 ATOM 27070 C CB . ILE A 1 75 ? 2.821 -4.864 1.676 1.00 0.00 ? 75 ILE A CB 18 ATOM 27071 C CG1 . ILE A 1 75 ? 1.888 -4.172 2.672 1.00 0.00 ? 75 ILE A CG1 18 ATOM 27072 C CG2 . ILE A 1 75 ? 2.020 -5.678 0.671 1.00 0.00 ? 75 ILE A CG2 18 ATOM 27073 C CD1 . ILE A 1 75 ? 1.071 -3.056 2.060 1.00 0.00 ? 75 ILE A CD1 18 ATOM 27074 H H . ILE A 1 75 ? 4.904 -4.026 2.947 1.00 0.00 ? 75 ILE A H 18 ATOM 27075 H HA . ILE A 1 75 ? 3.277 -6.364 3.136 1.00 0.00 ? 75 ILE A HA 18 ATOM 27076 H HB . ILE A 1 75 ? 3.378 -4.115 1.135 1.00 0.00 ? 75 ILE A HB 18 ATOM 27077 H HG12 . ILE A 1 75 ? 1.203 -4.898 3.080 1.00 0.00 ? 75 ILE A HG12 18 ATOM 27078 H HG13 . ILE A 1 75 ? 2.479 -3.751 3.474 1.00 0.00 ? 75 ILE A HG13 18 ATOM 27079 H HG21 . ILE A 1 75 ? 2.499 -5.627 -0.296 1.00 0.00 ? 75 ILE A HG21 18 ATOM 27080 H HG22 . ILE A 1 75 ? 1.976 -6.707 0.995 1.00 0.00 ? 75 ILE A HG22 18 ATOM 27081 H HG23 . ILE A 1 75 ? 1.020 -5.279 0.599 1.00 0.00 ? 75 ILE A HG23 18 ATOM 27082 H HD11 . ILE A 1 75 ? 0.177 -3.466 1.616 1.00 0.00 ? 75 ILE A HD11 18 ATOM 27083 H HD12 . ILE A 1 75 ? 0.801 -2.345 2.826 1.00 0.00 ? 75 ILE A HD12 18 ATOM 27084 H HD13 . ILE A 1 75 ? 1.655 -2.559 1.298 1.00 0.00 ? 75 ILE A HD13 18 ATOM 27085 N N . GLN A 1 76 ? 5.506 -6.177 0.723 1.00 0.00 ? 76 GLN A N 18 ATOM 27086 C CA . GLN A 1 76 ? 6.234 -6.961 -0.268 1.00 0.00 ? 76 GLN A CA 18 ATOM 27087 C C . GLN A 1 76 ? 6.790 -8.239 0.351 1.00 0.00 ? 76 GLN A C 18 ATOM 27088 O O . GLN A 1 76 ? 6.423 -9.343 -0.049 1.00 0.00 ? 76 GLN A O 18 ATOM 27089 C CB . GLN A 1 76 ? 7.372 -6.133 -0.868 1.00 0.00 ? 76 GLN A CB 18 ATOM 27090 C CG . GLN A 1 76 ? 6.918 -5.172 -1.955 1.00 0.00 ? 76 GLN A CG 18 ATOM 27091 C CD . GLN A 1 76 ? 8.074 -4.622 -2.767 1.00 0.00 ? 76 GLN A CD 18 ATOM 27092 O OE1 . GLN A 1 76 ? 8.964 -5.365 -3.183 1.00 0.00 ? 76 GLN A OE1 18 ATOM 27093 N NE2 . GLN A 1 76 ? 8.066 -3.315 -2.999 1.00 0.00 ? 76 GLN A NE2 18 ATOM 27094 H H . GLN A 1 76 ? 5.767 -5.247 0.882 1.00 0.00 ? 76 GLN A H 18 ATOM 27095 H HA . GLN A 1 76 ? 5.542 -7.227 -1.053 1.00 0.00 ? 76 GLN A HA 18 ATOM 27096 H HB2 . GLN A 1 76 ? 7.837 -5.559 -0.081 1.00 0.00 ? 76 GLN A HB2 18 ATOM 27097 H HB3 . GLN A 1 76 ? 8.103 -6.804 -1.294 1.00 0.00 ? 76 GLN A HB3 18 ATOM 27098 H HG2 . GLN A 1 76 ? 6.246 -5.693 -2.620 1.00 0.00 ? 76 GLN A HG2 18 ATOM 27099 H HG3 . GLN A 1 76 ? 6.397 -4.347 -1.492 1.00 0.00 ? 76 GLN A HG3 18 ATOM 27100 H HE21 . GLN A 1 76 ? 7.325 -2.785 -2.635 1.00 0.00 ? 76 GLN A HE21 18 ATOM 27101 H HE22 . GLN A 1 76 ? 8.801 -2.933 -3.521 1.00 0.00 ? 76 GLN A HE22 18 ATOM 27102 N N . GLU A 1 77 ? 7.678 -8.080 1.327 1.00 0.00 ? 77 GLU A N 18 ATOM 27103 C CA . GLU A 1 77 ? 8.285 -9.223 2.000 1.00 0.00 ? 77 GLU A CA 18 ATOM 27104 C C . GLU A 1 77 ? 7.216 -10.178 2.522 1.00 0.00 ? 77 GLU A C 18 ATOM 27105 O O . GLU A 1 77 ? 7.359 -11.398 2.430 1.00 0.00 ? 77 GLU A O 18 ATOM 27106 C CB . GLU A 1 77 ? 9.171 -8.751 3.155 1.00 0.00 ? 77 GLU A CB 18 ATOM 27107 C CG . GLU A 1 77 ? 8.394 -8.140 4.308 1.00 0.00 ? 77 GLU A CG 18 ATOM 27108 C CD . GLU A 1 77 ? 7.946 -9.174 5.323 1.00 0.00 ? 77 GLU A CD 18 ATOM 27109 O OE1 . GLU A 1 77 ? 7.919 -10.373 4.975 1.00 0.00 ? 77 GLU A OE1 18 ATOM 27110 O OE2 . GLU A 1 77 ? 7.622 -8.784 6.464 1.00 0.00 ? 77 GLU A OE2 18 ATOM 27111 H H . GLU A 1 77 ? 7.930 -7.174 1.602 1.00 0.00 ? 77 GLU A H 18 ATOM 27112 H HA . GLU A 1 77 ? 8.896 -9.745 1.279 1.00 0.00 ? 77 GLU A HA 18 ATOM 27113 H HB2 . GLU A 1 77 ? 9.730 -9.595 3.531 1.00 0.00 ? 77 GLU A HB2 18 ATOM 27114 H HB3 . GLU A 1 77 ? 9.863 -8.011 2.782 1.00 0.00 ? 77 GLU A HB3 18 ATOM 27115 H HG2 . GLU A 1 77 ? 9.023 -7.418 4.807 1.00 0.00 ? 77 GLU A HG2 18 ATOM 27116 H HG3 . GLU A 1 77 ? 7.520 -7.643 3.913 1.00 0.00 ? 77 GLU A HG3 18 ATOM 27117 N N . ARG A 1 78 ? 6.145 -9.615 3.071 1.00 0.00 ? 78 ARG A N 18 ATOM 27118 C CA . ARG A 1 78 ? 5.052 -10.416 3.610 1.00 0.00 ? 78 ARG A CA 18 ATOM 27119 C C . ARG A 1 78 ? 4.482 -11.346 2.542 1.00 0.00 ? 78 ARG A C 18 ATOM 27120 O O . ARG A 1 78 ? 4.193 -12.512 2.811 1.00 0.00 ? 78 ARG A O 18 ATOM 27121 C CB . ARG A 1 78 ? 3.947 -9.509 4.154 1.00 0.00 ? 78 ARG A CB 18 ATOM 27122 C CG . ARG A 1 78 ? 4.203 -9.021 5.571 1.00 0.00 ? 78 ARG A CG 18 ATOM 27123 C CD . ARG A 1 78 ? 4.189 -10.170 6.567 1.00 0.00 ? 78 ARG A CD 18 ATOM 27124 N NE . ARG A 1 78 ? 3.747 -9.741 7.891 1.00 0.00 ? 78 ARG A NE 18 ATOM 27125 C CZ . ARG A 1 78 ? 4.532 -9.114 8.760 1.00 0.00 ? 78 ARG A CZ 18 ATOM 27126 N NH1 . ARG A 1 78 ? 5.791 -8.843 8.447 1.00 0.00 ? 78 ARG A NH1 18 ATOM 27127 N NH2 . ARG A 1 78 ? 4.057 -8.755 9.946 1.00 0.00 ? 78 ARG A NH2 18 ATOM 27128 H H . ARG A 1 78 ? 6.088 -8.638 3.115 1.00 0.00 ? 78 ARG A H 18 ATOM 27129 H HA . ARG A 1 78 ? 5.446 -11.014 4.418 1.00 0.00 ? 78 ARG A HA 18 ATOM 27130 H HB2 . ARG A 1 78 ? 3.855 -8.646 3.511 1.00 0.00 ? 78 ARG A HB2 18 ATOM 27131 H HB3 . ARG A 1 78 ? 3.015 -10.054 4.147 1.00 0.00 ? 78 ARG A HB3 18 ATOM 27132 H HG2 . ARG A 1 78 ? 5.169 -8.539 5.607 1.00 0.00 ? 78 ARG A HG2 18 ATOM 27133 H HG3 . ARG A 1 78 ? 3.434 -8.312 5.841 1.00 0.00 ? 78 ARG A HG3 18 ATOM 27134 H HD2 . ARG A 1 78 ? 3.519 -10.935 6.205 1.00 0.00 ? 78 ARG A HD2 18 ATOM 27135 H HD3 . ARG A 1 78 ? 5.188 -10.573 6.644 1.00 0.00 ? 78 ARG A HD3 18 ATOM 27136 H HE . ARG A 1 78 ? 2.820 -9.931 8.144 1.00 0.00 ? 78 ARG A HE 18 ATOM 27137 H HH11 . ARG A 1 78 ? 6.152 -9.111 7.553 1.00 0.00 ? 78 ARG A HH11 18 ATOM 27138 H HH12 . ARG A 1 78 ? 6.380 -8.369 9.103 1.00 0.00 ? 78 ARG A HH12 18 ATOM 27139 H HH21 . ARG A 1 78 ? 3.108 -8.957 10.186 1.00 0.00 ? 78 ARG A HH21 18 ATOM 27140 H HH22 . ARG A 1 78 ? 4.648 -8.283 10.600 1.00 0.00 ? 78 ARG A HH22 18 ATOM 27141 N N . TRP A 1 79 ? 4.321 -10.821 1.333 1.00 0.00 ? 79 TRP A N 18 ATOM 27142 C CA . TRP A 1 79 ? 3.785 -11.604 0.225 1.00 0.00 ? 79 TRP A CA 18 ATOM 27143 C C . TRP A 1 79 ? 4.707 -12.770 -0.114 1.00 0.00 ? 79 TRP A C 18 ATOM 27144 O O . TRP A 1 79 ? 4.280 -13.924 -0.142 1.00 0.00 ? 79 TRP A O 18 ATOM 27145 C CB . TRP A 1 79 ? 3.589 -10.717 -1.005 1.00 0.00 ? 79 TRP A CB 18 ATOM 27146 C CG . TRP A 1 79 ? 2.922 -11.423 -2.146 1.00 0.00 ? 79 TRP A CG 18 ATOM 27147 C CD1 . TRP A 1 79 ? 2.106 -12.516 -2.069 1.00 0.00 ? 79 TRP A CD1 18 ATOM 27148 C CD2 . TRP A 1 79 ? 3.015 -11.087 -3.535 1.00 0.00 ? 79 TRP A CD2 18 ATOM 27149 N NE1 . TRP A 1 79 ? 1.687 -12.879 -3.327 1.00 0.00 ? 79 TRP A NE1 18 ATOM 27150 C CE2 . TRP A 1 79 ? 2.230 -12.017 -4.243 1.00 0.00 ? 79 TRP A CE2 18 ATOM 27151 C CE3 . TRP A 1 79 ? 3.684 -10.089 -4.249 1.00 0.00 ? 79 TRP A CE3 18 ATOM 27152 C CZ2 . TRP A 1 79 ? 2.098 -11.978 -5.628 1.00 0.00 ? 79 TRP A CZ2 18 ATOM 27153 C CZ3 . TRP A 1 79 ? 3.552 -10.052 -5.624 1.00 0.00 ? 79 TRP A CZ3 18 ATOM 27154 C CH2 . TRP A 1 79 ? 2.763 -10.991 -6.302 1.00 0.00 ? 79 TRP A CH2 18 ATOM 27155 H H . TRP A 1 79 ? 4.569 -9.885 1.181 1.00 0.00 ? 79 TRP A H 18 ATOM 27156 H HA . TRP A 1 79 ? 2.826 -11.996 0.532 1.00 0.00 ? 79 TRP A HA 18 ATOM 27157 H HB2 . TRP A 1 79 ? 2.979 -9.868 -0.736 1.00 0.00 ? 79 TRP A HB2 18 ATOM 27158 H HB3 . TRP A 1 79 ? 4.554 -10.369 -1.346 1.00 0.00 ? 79 TRP A HB3 18 ATOM 27159 H HD1 . TRP A 1 79 ? 1.840 -13.012 -1.149 1.00 0.00 ? 79 TRP A HD1 18 ATOM 27160 H HE1 . TRP A 1 79 ? 1.093 -13.632 -3.533 1.00 0.00 ? 79 TRP A HE1 18 ATOM 27161 H HE3 . TRP A 1 79 ? 4.296 -9.356 -3.744 1.00 0.00 ? 79 TRP A HE3 18 ATOM 27162 H HZ2 . TRP A 1 79 ? 1.493 -12.694 -6.165 1.00 0.00 ? 79 TRP A HZ2 18 ATOM 27163 H HZ3 . TRP A 1 79 ? 4.062 -9.288 -6.193 1.00 0.00 ? 79 TRP A HZ3 18 ATOM 27164 H HH2 . TRP A 1 79 ? 2.689 -10.924 -7.376 1.00 0.00 ? 79 TRP A HH2 18 ATOM 27165 N N . LYS A 1 80 ? 5.973 -12.461 -0.372 1.00 0.00 ? 80 LYS A N 18 ATOM 27166 C CA . LYS A 1 80 ? 6.957 -13.483 -0.708 1.00 0.00 ? 80 LYS A CA 18 ATOM 27167 C C . LYS A 1 80 ? 6.876 -14.657 0.263 1.00 0.00 ? 80 LYS A C 18 ATOM 27168 O O . LYS A 1 80 ? 6.749 -15.810 -0.151 1.00 0.00 ? 80 LYS A O 18 ATOM 27169 C CB . LYS A 1 80 ? 8.367 -12.889 -0.689 1.00 0.00 ? 80 LYS A CB 18 ATOM 27170 C CG . LYS A 1 80 ? 8.453 -11.506 -1.310 1.00 0.00 ? 80 LYS A CG 18 ATOM 27171 C CD . LYS A 1 80 ? 9.872 -11.174 -1.741 1.00 0.00 ? 80 LYS A CD 18 ATOM 27172 C CE . LYS A 1 80 ? 10.134 -9.677 -1.691 1.00 0.00 ? 80 LYS A CE 18 ATOM 27173 N NZ . LYS A 1 80 ? 9.552 -8.972 -2.866 1.00 0.00 ? 80 LYS A NZ 18 ATOM 27174 H H . LYS A 1 80 ? 6.254 -11.522 -0.334 1.00 0.00 ? 80 LYS A H 18 ATOM 27175 H HA . LYS A 1 80 ? 6.739 -13.839 -1.703 1.00 0.00 ? 80 LYS A HA 18 ATOM 27176 H HB2 . LYS A 1 80 ? 8.703 -12.822 0.335 1.00 0.00 ? 80 LYS A HB2 18 ATOM 27177 H HB3 . LYS A 1 80 ? 9.029 -13.547 -1.234 1.00 0.00 ? 80 LYS A HB3 18 ATOM 27178 H HG2 . LYS A 1 80 ? 7.808 -11.469 -2.175 1.00 0.00 ? 80 LYS A HG2 18 ATOM 27179 H HG3 . LYS A 1 80 ? 8.126 -10.774 -0.584 1.00 0.00 ? 80 LYS A HG3 18 ATOM 27180 H HD2 . LYS A 1 80 ? 10.565 -11.672 -1.079 1.00 0.00 ? 80 LYS A HD2 18 ATOM 27181 H HD3 . LYS A 1 80 ? 10.022 -11.524 -2.752 1.00 0.00 ? 80 LYS A HD3 18 ATOM 27182 H HE2 . LYS A 1 80 ? 9.696 -9.278 -0.789 1.00 0.00 ? 80 LYS A HE2 18 ATOM 27183 H HE3 . LYS A 1 80 ? 11.201 -9.512 -1.675 1.00 0.00 ? 80 LYS A HE3 18 ATOM 27184 H HZ1 . LYS A 1 80 ? 8.531 -9.161 -2.926 1.00 0.00 ? 80 LYS A HZ1 18 ATOM 27185 H HZ2 . LYS A 1 80 ? 10.005 -9.303 -3.742 1.00 0.00 ? 80 LYS A HZ2 18 ATOM 27186 H HZ3 . LYS A 1 80 ? 9.699 -7.947 -2.777 1.00 0.00 ? 80 LYS A HZ3 18 ATOM 27187 N N . ARG A 1 81 ? 6.948 -14.356 1.555 1.00 0.00 ? 81 ARG A N 18 ATOM 27188 C CA . ARG A 1 81 ? 6.882 -15.387 2.585 1.00 0.00 ? 81 ARG A CA 18 ATOM 27189 C C . ARG A 1 81 ? 5.704 -16.325 2.340 1.00 0.00 ? 81 ARG A C 18 ATOM 27190 O O . ARG A 1 81 ? 5.850 -17.546 2.386 1.00 0.00 ? 81 ARG A O 18 ATOM 27191 C CB . ARG A 1 81 ? 6.760 -14.748 3.969 1.00 0.00 ? 81 ARG A CB 18 ATOM 27192 C CG . ARG A 1 81 ? 8.098 -14.508 4.650 1.00 0.00 ? 81 ARG A CG 18 ATOM 27193 C CD . ARG A 1 81 ? 8.510 -15.698 5.502 1.00 0.00 ? 81 ARG A CD 18 ATOM 27194 N NE . ARG A 1 81 ? 9.428 -15.314 6.571 1.00 0.00 ? 81 ARG A NE 18 ATOM 27195 C CZ . ARG A 1 81 ? 9.695 -16.082 7.621 1.00 0.00 ? 81 ARG A CZ 18 ATOM 27196 N NH1 . ARG A 1 81 ? 9.119 -17.270 7.742 1.00 0.00 ? 81 ARG A NH1 18 ATOM 27197 N NH2 . ARG A 1 81 ? 10.542 -15.662 8.553 1.00 0.00 ? 81 ARG A NH2 18 ATOM 27198 H H . ARG A 1 81 ? 7.048 -13.419 1.824 1.00 0.00 ? 81 ARG A H 18 ATOM 27199 H HA . ARG A 1 81 ? 7.797 -15.958 2.541 1.00 0.00 ? 81 ARG A HA 18 ATOM 27200 H HB2 . ARG A 1 81 ? 6.256 -13.798 3.871 1.00 0.00 ? 81 ARG A HB2 18 ATOM 27201 H HB3 . ARG A 1 81 ? 6.170 -15.396 4.600 1.00 0.00 ? 81 ARG A HB3 18 ATOM 27202 H HG2 . ARG A 1 81 ? 8.851 -14.343 3.893 1.00 0.00 ? 81 ARG A HG2 18 ATOM 27203 H HG3 . ARG A 1 81 ? 8.019 -13.635 5.280 1.00 0.00 ? 81 ARG A HG3 18 ATOM 27204 H HD2 . ARG A 1 81 ? 7.625 -16.134 5.940 1.00 0.00 ? 81 ARG A HD2 18 ATOM 27205 H HD3 . ARG A 1 81 ? 8.995 -16.426 4.869 1.00 0.00 ? 81 ARG A HD3 18 ATOM 27206 H HE . ARG A 1 81 ? 9.864 -14.440 6.502 1.00 0.00 ? 81 ARG A HE 18 ATOM 27207 H HH11 . ARG A 1 81 ? 8.482 -17.589 7.041 1.00 0.00 ? 81 ARG A HH11 18 ATOM 27208 H HH12 . ARG A 1 81 ? 9.323 -17.847 8.533 1.00 0.00 ? 81 ARG A HH12 18 ATOM 27209 H HH21 . ARG A 1 81 ? 10.978 -14.767 8.465 1.00 0.00 ? 81 ARG A HH21 18 ATOM 27210 H HH22 . ARG A 1 81 ? 10.742 -16.241 9.343 1.00 0.00 ? 81 ARG A HH22 18 ATOM 27211 N N . ALA A 1 82 ? 4.536 -15.745 2.080 1.00 0.00 ? 82 ALA A N 18 ATOM 27212 C CA . ALA A 1 82 ? 3.334 -16.529 1.826 1.00 0.00 ? 82 ALA A CA 18 ATOM 27213 C C . ALA A 1 82 ? 3.554 -17.520 0.689 1.00 0.00 ? 82 ALA A C 18 ATOM 27214 O O . ALA A 1 82 ? 2.956 -18.596 0.664 1.00 0.00 ? 82 ALA A O 18 ATOM 27215 C CB . ALA A 1 82 ? 2.163 -15.611 1.509 1.00 0.00 ? 82 ALA A CB 18 ATOM 27216 H H . ALA A 1 82 ? 4.483 -14.767 2.057 1.00 0.00 ? 82 ALA A H 18 ATOM 27217 H HA . ALA A 1 82 ? 3.096 -17.077 2.727 1.00 0.00 ? 82 ALA A HA 18 ATOM 27218 H HB1 . ALA A 1 82 ? 2.511 -14.589 1.459 1.00 0.00 ? 82 ALA A HB1 18 ATOM 27219 H HB2 . ALA A 1 82 ? 1.731 -15.893 0.561 1.00 0.00 ? 82 ALA A HB2 18 ATOM 27220 H HB3 . ALA A 1 82 ? 1.416 -15.699 2.285 1.00 0.00 ? 82 ALA A HB3 18 ATOM 27221 N N . LYS A 1 83 ? 4.416 -17.152 -0.252 1.00 0.00 ? 83 LYS A N 18 ATOM 27222 C CA . LYS A 1 83 ? 4.717 -18.008 -1.393 1.00 0.00 ? 83 LYS A CA 18 ATOM 27223 C C . LYS A 1 83 ? 5.155 -19.395 -0.932 1.00 0.00 ? 83 LYS A C 18 ATOM 27224 O O . LYS A 1 83 ? 4.858 -20.398 -1.582 1.00 0.00 ? 83 LYS A O 18 ATOM 27225 C CB . LYS A 1 83 ? 5.812 -17.377 -2.257 1.00 0.00 ? 83 LYS A CB 18 ATOM 27226 C CG . LYS A 1 83 ? 5.505 -15.952 -2.682 1.00 0.00 ? 83 LYS A CG 18 ATOM 27227 C CD . LYS A 1 83 ? 4.638 -15.917 -3.930 1.00 0.00 ? 83 LYS A CD 18 ATOM 27228 C CE . LYS A 1 83 ? 3.158 -15.912 -3.581 1.00 0.00 ? 83 LYS A CE 18 ATOM 27229 N NZ . LYS A 1 83 ? 2.316 -15.498 -4.737 1.00 0.00 ? 83 LYS A NZ 18 ATOM 27230 H H . LYS A 1 83 ? 4.863 -16.282 -0.177 1.00 0.00 ? 83 LYS A H 18 ATOM 27231 H HA . LYS A 1 83 ? 3.817 -18.105 -1.982 1.00 0.00 ? 83 LYS A HA 18 ATOM 27232 H HB2 . LYS A 1 83 ? 6.736 -17.373 -1.698 1.00 0.00 ? 83 LYS A HB2 18 ATOM 27233 H HB3 . LYS A 1 83 ? 5.941 -17.976 -3.146 1.00 0.00 ? 83 LYS A HB3 18 ATOM 27234 H HG2 . LYS A 1 83 ? 4.983 -15.451 -1.880 1.00 0.00 ? 83 LYS A HG2 18 ATOM 27235 H HG3 . LYS A 1 83 ? 6.434 -15.439 -2.885 1.00 0.00 ? 83 LYS A HG3 18 ATOM 27236 H HD2 . LYS A 1 83 ? 4.867 -15.023 -4.491 1.00 0.00 ? 83 LYS A HD2 18 ATOM 27237 H HD3 . LYS A 1 83 ? 4.854 -16.788 -4.532 1.00 0.00 ? 83 LYS A HD3 18 ATOM 27238 H HE2 . LYS A 1 83 ? 2.870 -16.907 -3.275 1.00 0.00 ? 83 LYS A HE2 18 ATOM 27239 H HE3 . LYS A 1 83 ? 2.996 -15.224 -2.764 1.00 0.00 ? 83 LYS A HE3 18 ATOM 27240 H HZ1 . LYS A 1 83 ? 2.661 -15.949 -5.609 1.00 0.00 ? 83 LYS A HZ1 18 ATOM 27241 H HZ2 . LYS A 1 83 ? 2.355 -14.466 -4.856 1.00 0.00 ? 83 LYS A HZ2 18 ATOM 27242 H HZ3 . LYS A 1 83 ? 1.328 -15.782 -4.581 1.00 0.00 ? 83 LYS A HZ3 18 ATOM 27243 N N . ARG A 1 84 ? 5.860 -19.444 0.193 1.00 0.00 ? 84 ARG A N 18 ATOM 27244 C CA . ARG A 1 84 ? 6.338 -20.708 0.741 1.00 0.00 ? 84 ARG A CA 18 ATOM 27245 C C . ARG A 1 84 ? 5.321 -21.297 1.715 1.00 0.00 ? 84 ARG A C 18 ATOM 27246 O O . ARG A 1 84 ? 4.879 -22.434 1.552 1.00 0.00 ? 84 ARG A O 18 ATOM 27247 C CB . ARG A 1 84 ? 7.680 -20.507 1.447 1.00 0.00 ? 84 ARG A CB 18 ATOM 27248 C CG . ARG A 1 84 ? 7.946 -21.520 2.549 1.00 0.00 ? 84 ARG A CG 18 ATOM 27249 C CD . ARG A 1 84 ? 8.142 -22.918 1.985 1.00 0.00 ? 84 ARG A CD 18 ATOM 27250 N NE . ARG A 1 84 ? 9.476 -23.098 1.419 1.00 0.00 ? 84 ARG A NE 18 ATOM 27251 C CZ . ARG A 1 84 ? 10.567 -23.282 2.155 1.00 0.00 ? 84 ARG A CZ 18 ATOM 27252 N NH1 . ARG A 1 84 ? 10.482 -23.310 3.477 1.00 0.00 ? 84 ARG A NH1 18 ATOM 27253 N NH2 . ARG A 1 84 ? 11.746 -23.438 1.566 1.00 0.00 ? 84 ARG A NH2 18 ATOM 27254 H H . ARG A 1 84 ? 6.065 -18.610 0.666 1.00 0.00 ? 84 ARG A H 18 ATOM 27255 H HA . ARG A 1 84 ? 6.473 -21.396 -0.080 1.00 0.00 ? 84 ARG A HA 18 ATOM 27256 H HB2 . ARG A 1 84 ? 8.473 -20.586 0.718 1.00 0.00 ? 84 ARG A HB2 18 ATOM 27257 H HB3 . ARG A 1 84 ? 7.699 -19.520 1.883 1.00 0.00 ? 84 ARG A HB3 18 ATOM 27258 H HG2 . ARG A 1 84 ? 8.839 -21.231 3.083 1.00 0.00 ? 84 ARG A HG2 18 ATOM 27259 H HG3 . ARG A 1 84 ? 7.105 -21.529 3.227 1.00 0.00 ? 84 ARG A HG3 18 ATOM 27260 H HD2 . ARG A 1 84 ? 7.998 -23.636 2.779 1.00 0.00 ? 84 ARG A HD2 18 ATOM 27261 H HD3 . ARG A 1 84 ? 7.407 -23.086 1.211 1.00 0.00 ? 84 ARG A HD3 18 ATOM 27262 H HE . ARG A 1 84 ? 9.562 -23.081 0.444 1.00 0.00 ? 84 ARG A HE 18 ATOM 27263 H HH11 . ARG A 1 84 ? 9.595 -23.194 3.923 1.00 0.00 ? 84 ARG A HH11 18 ATOM 27264 H HH12 . ARG A 1 84 ? 11.305 -23.450 4.029 1.00 0.00 ? 84 ARG A HH12 18 ATOM 27265 H HH21 . ARG A 1 84 ? 11.814 -23.418 0.569 1.00 0.00 ? 84 ARG A HH21 18 ATOM 27266 H HH22 . ARG A 1 84 ? 12.567 -23.576 2.120 1.00 0.00 ? 84 ARG A HH22 18 ATOM 27267 N N . GLU A 1 85 ? 4.957 -20.516 2.727 1.00 0.00 ? 85 GLU A N 18 ATOM 27268 C CA . GLU A 1 85 ? 3.994 -20.962 3.727 1.00 0.00 ? 85 GLU A CA 18 ATOM 27269 C C . GLU A 1 85 ? 2.795 -21.635 3.065 1.00 0.00 ? 85 GLU A C 18 ATOM 27270 O O . GLU A 1 85 ? 2.113 -22.455 3.680 1.00 0.00 ? 85 GLU A O 18 ATOM 27271 C CB . GLU A 1 85 ? 3.525 -19.781 4.578 1.00 0.00 ? 85 GLU A CB 18 ATOM 27272 C CG . GLU A 1 85 ? 4.649 -18.847 4.996 1.00 0.00 ? 85 GLU A CG 18 ATOM 27273 C CD . GLU A 1 85 ? 4.368 -18.150 6.313 1.00 0.00 ? 85 GLU A CD 18 ATOM 27274 O OE1 . GLU A 1 85 ? 3.756 -17.061 6.288 1.00 0.00 ? 85 GLU A OE1 18 ATOM 27275 O OE2 . GLU A 1 85 ? 4.760 -18.691 7.367 1.00 0.00 ? 85 GLU A OE2 18 ATOM 27276 H H . GLU A 1 85 ? 5.345 -19.620 2.803 1.00 0.00 ? 85 GLU A H 18 ATOM 27277 H HA . GLU A 1 85 ? 4.487 -21.680 4.365 1.00 0.00 ? 85 GLU A HA 18 ATOM 27278 H HB2 . GLU A 1 85 ? 2.802 -19.210 4.013 1.00 0.00 ? 85 GLU A HB2 18 ATOM 27279 H HB3 . GLU A 1 85 ? 3.051 -20.162 5.470 1.00 0.00 ? 85 GLU A HB3 18 ATOM 27280 H HG2 . GLU A 1 85 ? 5.557 -19.421 5.097 1.00 0.00 ? 85 GLU A HG2 18 ATOM 27281 H HG3 . GLU A 1 85 ? 4.781 -18.098 4.230 1.00 0.00 ? 85 GLU A HG3 18 ATOM 27282 N N . GLU A 1 86 ? 2.544 -21.281 1.809 1.00 0.00 ? 86 GLU A N 18 ATOM 27283 C CA . GLU A 1 86 ? 1.426 -21.850 1.064 1.00 0.00 ? 86 GLU A CA 18 ATOM 27284 C C . GLU A 1 86 ? 1.817 -23.180 0.427 1.00 0.00 ? 86 GLU A C 18 ATOM 27285 O O . GLU A 1 86 ? 1.067 -24.154 0.490 1.00 0.00 ? 86 GLU A O 18 ATOM 27286 C CB . GLU A 1 86 ? 0.954 -20.874 -0.015 1.00 0.00 ? 86 GLU A CB 18 ATOM 27287 C CG . GLU A 1 86 ? 0.037 -21.506 -1.048 1.00 0.00 ? 86 GLU A CG 18 ATOM 27288 C CD . GLU A 1 86 ? -1.369 -21.724 -0.524 1.00 0.00 ? 86 GLU A CD 18 ATOM 27289 O OE1 . GLU A 1 86 ? -1.869 -20.850 0.215 1.00 0.00 ? 86 GLU A OE1 18 ATOM 27290 O OE2 . GLU A 1 86 ? -1.969 -22.769 -0.851 1.00 0.00 ? 86 GLU A OE2 18 ATOM 27291 H H . GLU A 1 86 ? 3.123 -20.622 1.372 1.00 0.00 ? 86 GLU A H 18 ATOM 27292 H HA . GLU A 1 86 ? 0.618 -22.021 1.759 1.00 0.00 ? 86 GLU A HA 18 ATOM 27293 H HB2 . GLU A 1 86 ? 0.424 -20.060 0.458 1.00 0.00 ? 86 GLU A HB2 18 ATOM 27294 H HB3 . GLU A 1 86 ? 1.819 -20.477 -0.527 1.00 0.00 ? 86 GLU A HB3 18 ATOM 27295 H HG2 . GLU A 1 86 ? -0.014 -20.858 -1.910 1.00 0.00 ? 86 GLU A HG2 18 ATOM 27296 H HG3 . GLU A 1 86 ? 0.449 -22.460 -1.341 1.00 0.00 ? 86 GLU A HG3 18 ATOM 27297 N N . ARG A 1 87 ? 2.996 -23.212 -0.186 1.00 0.00 ? 87 ARG A N 18 ATOM 27298 C CA . ARG A 1 87 ? 3.486 -24.421 -0.836 1.00 0.00 ? 87 ARG A CA 18 ATOM 27299 C C . ARG A 1 87 ? 3.471 -25.602 0.130 1.00 0.00 ? 87 ARG A C 18 ATOM 27300 O O . ARG A 1 87 ? 3.163 -26.730 -0.257 1.00 0.00 ? 87 ARG A O 18 ATOM 27301 C CB . ARG A 1 87 ? 4.904 -24.201 -1.367 1.00 0.00 ? 87 ARG A CB 18 ATOM 27302 C CG . ARG A 1 87 ? 4.950 -23.436 -2.680 1.00 0.00 ? 87 ARG A CG 18 ATOM 27303 C CD . ARG A 1 87 ? 4.816 -24.368 -3.873 1.00 0.00 ? 87 ARG A CD 18 ATOM 27304 N NE . ARG A 1 87 ? 5.125 -23.695 -5.132 1.00 0.00 ? 87 ARG A NE 18 ATOM 27305 C CZ . ARG A 1 87 ? 5.185 -24.318 -6.304 1.00 0.00 ? 87 ARG A CZ 18 ATOM 27306 N NH1 . ARG A 1 87 ? 4.957 -25.622 -6.377 1.00 0.00 ? 87 ARG A NH1 18 ATOM 27307 N NH2 . ARG A 1 87 ? 5.472 -23.636 -7.405 1.00 0.00 ? 87 ARG A NH2 18 ATOM 27308 H H . ARG A 1 87 ? 3.549 -22.403 -0.202 1.00 0.00 ? 87 ARG A H 18 ATOM 27309 H HA . ARG A 1 87 ? 2.831 -24.641 -1.665 1.00 0.00 ? 87 ARG A HA 18 ATOM 27310 H HB2 . ARG A 1 87 ? 5.469 -23.646 -0.633 1.00 0.00 ? 87 ARG A HB2 18 ATOM 27311 H HB3 . ARG A 1 87 ? 5.372 -25.162 -1.519 1.00 0.00 ? 87 ARG A HB3 18 ATOM 27312 H HG2 . ARG A 1 87 ? 4.138 -22.724 -2.700 1.00 0.00 ? 87 ARG A HG2 18 ATOM 27313 H HG3 . ARG A 1 87 ? 5.892 -22.912 -2.747 1.00 0.00 ? 87 ARG A HG3 18 ATOM 27314 H HD2 . ARG A 1 87 ? 5.496 -25.198 -3.744 1.00 0.00 ? 87 ARG A HD2 18 ATOM 27315 H HD3 . ARG A 1 87 ? 3.802 -24.737 -3.913 1.00 0.00 ? 87 ARG A HD3 18 ATOM 27316 H HE . ARG A 1 87 ? 5.297 -22.731 -5.101 1.00 0.00 ? 87 ARG A HE 18 ATOM 27317 H HH11 . ARG A 1 87 ? 4.740 -26.138 -5.549 1.00 0.00 ? 87 ARG A HH11 18 ATOM 27318 H HH12 . ARG A 1 87 ? 5.002 -26.089 -7.261 1.00 0.00 ? 87 ARG A HH12 18 ATOM 27319 H HH21 . ARG A 1 87 ? 5.644 -22.653 -7.354 1.00 0.00 ? 87 ARG A HH21 18 ATOM 27320 H HH22 . ARG A 1 87 ? 5.517 -24.106 -8.286 1.00 0.00 ? 87 ARG A HH22 18 ATOM 27321 N N . LEU A 1 88 ? 3.807 -25.336 1.387 1.00 0.00 ? 88 LEU A N 18 ATOM 27322 C CA . LEU A 1 88 ? 3.833 -26.376 2.409 1.00 0.00 ? 88 LEU A CA 18 ATOM 27323 C C . LEU A 1 88 ? 2.426 -26.891 2.698 1.00 0.00 ? 88 LEU A C 18 ATOM 27324 O O . LEU A 1 88 ? 2.105 -28.045 2.413 1.00 0.00 ? 88 LEU A O 18 ATOM 27325 C CB . LEU A 1 88 ? 4.466 -25.841 3.694 1.00 0.00 ? 88 LEU A CB 18 ATOM 27326 C CG . LEU A 1 88 ? 5.698 -24.953 3.516 1.00 0.00 ? 88 LEU A CG 18 ATOM 27327 C CD1 . LEU A 1 88 ? 6.159 -24.404 4.858 1.00 0.00 ? 88 LEU A CD1 18 ATOM 27328 C CD2 . LEU A 1 88 ? 6.820 -25.727 2.841 1.00 0.00 ? 88 LEU A CD2 18 ATOM 27329 H H . LEU A 1 88 ? 4.043 -24.418 1.635 1.00 0.00 ? 88 LEU A H 18 ATOM 27330 H HA . LEU A 1 88 ? 4.433 -27.193 2.035 1.00 0.00 ? 88 LEU A HA 18 ATOM 27331 H HB2 . LEU A 1 88 ? 3.717 -25.266 4.217 1.00 0.00 ? 88 LEU A HB2 18 ATOM 27332 H HB3 . LEU A 1 88 ? 4.753 -26.689 4.299 1.00 0.00 ? 88 LEU A HB3 18 ATOM 27333 H HG . LEU A 1 88 ? 5.441 -24.114 2.884 1.00 0.00 ? 88 LEU A HG 18 ATOM 27334 H HD11 . LEU A 1 88 ? 6.339 -25.222 5.539 1.00 0.00 ? 88 LEU A HD11 18 ATOM 27335 H HD12 . LEU A 1 88 ? 5.394 -23.759 5.265 1.00 0.00 ? 88 LEU A HD12 18 ATOM 27336 H HD13 . LEU A 1 88 ? 7.070 -23.840 4.722 1.00 0.00 ? 88 LEU A HD13 18 ATOM 27337 H HD21 . LEU A 1 88 ? 7.668 -25.787 3.508 1.00 0.00 ? 88 LEU A HD21 18 ATOM 27338 H HD22 . LEU A 1 88 ? 7.112 -25.220 1.933 1.00 0.00 ? 88 LEU A HD22 18 ATOM 27339 H HD23 . LEU A 1 88 ? 6.478 -26.723 2.603 1.00 0.00 ? 88 LEU A HD23 18 ATOM 27340 N N . LYS A 1 89 ? 1.590 -26.027 3.262 1.00 0.00 ? 89 LYS A N 18 ATOM 27341 C CA . LYS A 1 89 ? 0.216 -26.392 3.587 1.00 0.00 ? 89 LYS A CA 18 ATOM 27342 C C . LYS A 1 89 ? -0.472 -27.041 2.390 1.00 0.00 ? 89 LYS A C 18 ATOM 27343 O O . LYS A 1 89 ? -1.246 -27.985 2.544 1.00 0.00 ? 89 LYS A O 18 ATOM 27344 C CB . LYS A 1 89 ? -0.570 -25.156 4.031 1.00 0.00 ? 89 LYS A CB 18 ATOM 27345 C CG . LYS A 1 89 ? -0.974 -24.247 2.884 1.00 0.00 ? 89 LYS A CG 18 ATOM 27346 C CD . LYS A 1 89 ? -1.758 -23.042 3.376 1.00 0.00 ? 89 LYS A CD 18 ATOM 27347 C CE . LYS A 1 89 ? -2.749 -22.556 2.329 1.00 0.00 ? 89 LYS A CE 18 ATOM 27348 N NZ . LYS A 1 89 ? -4.073 -23.224 2.466 1.00 0.00 ? 89 LYS A NZ 18 ATOM 27349 H H . LYS A 1 89 ? 1.905 -25.120 3.465 1.00 0.00 ? 89 LYS A H 18 ATOM 27350 H HA . LYS A 1 89 ? 0.244 -27.102 4.399 1.00 0.00 ? 89 LYS A HA 18 ATOM 27351 H HB2 . LYS A 1 89 ? -1.466 -25.478 4.541 1.00 0.00 ? 89 LYS A HB2 18 ATOM 27352 H HB3 . LYS A 1 89 ? 0.039 -24.585 4.718 1.00 0.00 ? 89 LYS A HB3 18 ATOM 27353 H HG2 . LYS A 1 89 ? -0.084 -23.901 2.379 1.00 0.00 ? 89 LYS A HG2 18 ATOM 27354 H HG3 . LYS A 1 89 ? -1.588 -24.806 2.192 1.00 0.00 ? 89 LYS A HG3 18 ATOM 27355 H HD2 . LYS A 1 89 ? -2.301 -23.317 4.268 1.00 0.00 ? 89 LYS A HD2 18 ATOM 27356 H HD3 . LYS A 1 89 ? -1.068 -22.243 3.605 1.00 0.00 ? 89 LYS A HD3 18 ATOM 27357 H HE2 . LYS A 1 89 ? -2.879 -21.491 2.444 1.00 0.00 ? 89 LYS A HE2 18 ATOM 27358 H HE3 . LYS A 1 89 ? -2.348 -22.766 1.349 1.00 0.00 ? 89 LYS A HE3 18 ATOM 27359 H HZ1 . LYS A 1 89 ? -4.482 -23.401 1.526 1.00 0.00 ? 89 LYS A HZ1 18 ATOM 27360 H HZ2 . LYS A 1 89 ? -4.724 -22.620 3.006 1.00 0.00 ? 89 LYS A HZ2 18 ATOM 27361 H HZ3 . LYS A 1 89 ? -3.966 -24.131 2.962 1.00 0.00 ? 89 LYS A HZ3 18 ATOM 27362 N N . ALA A 1 90 ? -0.182 -26.530 1.198 1.00 0.00 ? 90 ALA A N 18 ATOM 27363 C CA . ALA A 1 90 ? -0.770 -27.062 -0.025 1.00 0.00 ? 90 ALA A CA 18 ATOM 27364 C C . ALA A 1 90 ? -0.454 -28.546 -0.185 1.00 0.00 ? 90 ALA A C 18 ATOM 27365 O O . ALA A 1 90 ? 0.701 -28.959 -0.078 1.00 0.00 ? 90 ALA A O 18 ATOM 27366 C CB . ALA A 1 90 ? -0.274 -26.281 -1.233 1.00 0.00 ? 90 ALA A CB 18 ATOM 27367 H H . ALA A 1 90 ? 0.443 -25.777 1.139 1.00 0.00 ? 90 ALA A H 18 ATOM 27368 H HA . ALA A 1 90 ? -1.842 -26.938 0.038 1.00 0.00 ? 90 ALA A HA 18 ATOM 27369 H HB1 . ALA A 1 90 ? -0.661 -26.732 -2.135 1.00 0.00 ? 90 ALA A HB1 18 ATOM 27370 H HB2 . ALA A 1 90 ? -0.616 -25.259 -1.166 1.00 0.00 ? 90 ALA A HB2 18 ATOM 27371 H HB3 . ALA A 1 90 ? 0.805 -26.300 -1.255 1.00 0.00 ? 90 ALA A HB3 18 ATOM 27372 N N . HIS A 1 91 ? -1.486 -29.342 -0.442 1.00 0.00 ? 91 HIS A N 18 ATOM 27373 C CA . HIS A 1 91 ? -1.318 -30.780 -0.617 1.00 0.00 ? 91 HIS A CA 18 ATOM 27374 C C . HIS A 1 91 ? -0.366 -31.079 -1.771 1.00 0.00 ? 91 HIS A C 18 ATOM 27375 O O . HIS A 1 91 ? -0.673 -30.799 -2.930 1.00 0.00 ? 91 HIS A O 18 ATOM 27376 C CB . HIS A 1 91 ? -2.671 -31.447 -0.870 1.00 0.00 ? 91 HIS A CB 18 ATOM 27377 C CG . HIS A 1 91 ? -2.570 -32.909 -1.175 1.00 0.00 ? 91 HIS A CG 18 ATOM 27378 N ND1 . HIS A 1 91 ? -2.112 -33.397 -2.381 1.00 0.00 ? 91 HIS A ND1 18 ATOM 27379 C CD2 . HIS A 1 91 ? -2.870 -33.993 -0.423 1.00 0.00 ? 91 HIS A CD2 18 ATOM 27380 C CE1 . HIS A 1 91 ? -2.136 -34.717 -2.358 1.00 0.00 ? 91 HIS A CE1 18 ATOM 27381 N NE2 . HIS A 1 91 ? -2.592 -35.105 -1.180 1.00 0.00 ? 91 HIS A NE2 18 ATOM 27382 H H . HIS A 1 91 ? -2.383 -28.953 -0.516 1.00 0.00 ? 91 HIS A H 18 ATOM 27383 H HA . HIS A 1 91 ? -0.896 -31.178 0.293 1.00 0.00 ? 91 HIS A HA 18 ATOM 27384 H HB2 . HIS A 1 91 ? -3.290 -31.333 0.007 1.00 0.00 ? 91 HIS A HB2 18 ATOM 27385 H HB3 . HIS A 1 91 ? -3.151 -30.964 -1.709 1.00 0.00 ? 91 HIS A HB3 18 ATOM 27386 H HD1 . HIS A 1 91 ? -1.815 -32.855 -3.142 1.00 0.00 ? 91 HIS A HD1 18 ATOM 27387 H HD2 . HIS A 1 91 ? -3.257 -33.987 0.587 1.00 0.00 ? 91 HIS A HD2 18 ATOM 27388 H HE1 . HIS A 1 91 ? -1.834 -35.370 -3.163 1.00 0.00 ? 91 HIS A HE1 18 ATOM 27389 H HE2 . HIS A 1 91 ? -2.791 -36.030 -0.929 1.00 0.00 ? 91 HIS A HE2 18 ATOM 27390 N N . SER A 1 92 ? 0.790 -31.649 -1.446 1.00 0.00 ? 92 SER A N 18 ATOM 27391 C CA . SER A 1 92 ? 1.788 -31.982 -2.456 1.00 0.00 ? 92 SER A CA 18 ATOM 27392 C C . SER A 1 92 ? 1.539 -33.374 -3.028 1.00 0.00 ? 92 SER A C 18 ATOM 27393 O O . SER A 1 92 ? 1.380 -33.541 -4.237 1.00 0.00 ? 92 SER A O 18 ATOM 27394 C CB . SER A 1 92 ? 3.194 -31.909 -1.856 1.00 0.00 ? 92 SER A CB 18 ATOM 27395 O OG . SER A 1 92 ? 4.169 -31.707 -2.865 1.00 0.00 ? 92 SER A OG 18 ATOM 27396 H H . SER A 1 92 ? 0.976 -31.848 -0.505 1.00 0.00 ? 92 SER A H 18 ATOM 27397 H HA . SER A 1 92 ? 1.708 -31.258 -3.253 1.00 0.00 ? 92 SER A HA 18 ATOM 27398 H HB2 . SER A 1 92 ? 3.242 -31.088 -1.157 1.00 0.00 ? 92 SER A HB2 18 ATOM 27399 H HB3 . SER A 1 92 ? 3.411 -32.834 -1.342 1.00 0.00 ? 92 SER A HB3 18 ATOM 27400 H HG . SER A 1 92 ? 4.834 -31.091 -2.550 1.00 0.00 ? 92 SER A HG 18 ATOM 27401 N N . GLY A 1 93 ? 1.506 -34.371 -2.150 1.00 0.00 ? 93 GLY A N 18 ATOM 27402 C CA . GLY A 1 93 ? 1.276 -35.736 -2.585 1.00 0.00 ? 93 GLY A CA 18 ATOM 27403 C C . GLY A 1 93 ? 2.056 -36.746 -1.766 1.00 0.00 ? 93 GLY A C 18 ATOM 27404 O O . GLY A 1 93 ? 1.616 -37.188 -0.705 1.00 0.00 ? 93 GLY A O 18 ATOM 27405 H H . GLY A 1 93 ? 1.639 -34.179 -1.198 1.00 0.00 ? 93 GLY A H 18 ATOM 27406 H HA2 . GLY A 1 93 ? 0.223 -35.957 -2.502 1.00 0.00 ? 93 GLY A HA2 18 ATOM 27407 H HA3 . GLY A 1 93 ? 1.571 -35.826 -3.621 1.00 0.00 ? 93 GLY A HA3 18 ATOM 27408 N N . PRO A 1 94 ? 3.242 -37.126 -2.262 1.00 0.00 ? 94 PRO A N 18 ATOM 27409 C CA . PRO A 1 94 ? 4.109 -38.095 -1.585 1.00 0.00 ? 94 PRO A CA 18 ATOM 27410 C C . PRO A 1 94 ? 4.715 -37.535 -0.303 1.00 0.00 ? 94 PRO A C 18 ATOM 27411 O O . PRO A 1 94 ? 5.350 -38.259 0.463 1.00 0.00 ? 94 PRO A O 18 ATOM 27412 C CB . PRO A 1 94 ? 5.205 -38.373 -2.617 1.00 0.00 ? 94 PRO A CB 18 ATOM 27413 C CG . PRO A 1 94 ? 5.243 -37.151 -3.468 1.00 0.00 ? 94 PRO A CG 18 ATOM 27414 C CD . PRO A 1 94 ? 3.829 -36.640 -3.522 1.00 0.00 ? 94 PRO A CD 18 ATOM 27415 H HA . PRO A 1 94 ? 3.582 -39.011 -1.362 1.00 0.00 ? 94 PRO A HA 18 ATOM 27416 H HB2 . PRO A 1 94 ? 6.147 -38.533 -2.112 1.00 0.00 ? 94 PRO A HB2 18 ATOM 27417 H HB3 . PRO A 1 94 ? 4.947 -39.248 -3.195 1.00 0.00 ? 94 PRO A HB3 18 ATOM 27418 H HG2 . PRO A 1 94 ? 5.891 -36.412 -3.021 1.00 0.00 ? 94 PRO A HG2 18 ATOM 27419 H HG3 . PRO A 1 94 ? 5.587 -37.404 -4.459 1.00 0.00 ? 94 PRO A HG3 18 ATOM 27420 H HD2 . PRO A 1 94 ? 3.819 -35.561 -3.561 1.00 0.00 ? 94 PRO A HD2 18 ATOM 27421 H HD3 . PRO A 1 94 ? 3.311 -37.055 -4.374 1.00 0.00 ? 94 PRO A HD3 18 ATOM 27422 N N . SER A 1 95 ? 4.513 -36.241 -0.076 1.00 0.00 ? 95 SER A N 18 ATOM 27423 C CA . SER A 1 95 ? 5.043 -35.582 1.113 1.00 0.00 ? 95 SER A CA 18 ATOM 27424 C C . SER A 1 95 ? 4.959 -36.502 2.327 1.00 0.00 ? 95 SER A C 18 ATOM 27425 O O . SER A 1 95 ? 3.951 -37.175 2.540 1.00 0.00 ? 95 SER A O 18 ATOM 27426 C CB . SER A 1 95 ? 4.278 -34.285 1.387 1.00 0.00 ? 95 SER A CB 18 ATOM 27427 O OG . SER A 1 95 ? 2.990 -34.555 1.913 1.00 0.00 ? 95 SER A OG 18 ATOM 27428 H H . SER A 1 95 ? 3.998 -35.716 -0.724 1.00 0.00 ? 95 SER A H 18 ATOM 27429 H HA . SER A 1 95 ? 6.080 -35.345 0.926 1.00 0.00 ? 95 SER A HA 18 ATOM 27430 H HB2 . SER A 1 95 ? 4.828 -33.690 2.100 1.00 0.00 ? 95 SER A HB2 18 ATOM 27431 H HB3 . SER A 1 95 ? 4.169 -33.733 0.464 1.00 0.00 ? 95 SER A HB3 18 ATOM 27432 H HG . SER A 1 95 ? 2.376 -34.710 1.192 1.00 0.00 ? 95 SER A HG 18 ATOM 27433 N N . SER A 1 96 ? 6.025 -36.524 3.120 1.00 0.00 ? 96 SER A N 18 ATOM 27434 C CA . SER A 1 96 ? 6.075 -37.364 4.311 1.00 0.00 ? 96 SER A CA 18 ATOM 27435 C C . SER A 1 96 ? 6.606 -36.579 5.507 1.00 0.00 ? 96 SER A C 18 ATOM 27436 O O . SER A 1 96 ? 7.551 -35.802 5.383 1.00 0.00 ? 96 SER A O 18 ATOM 27437 C CB . SER A 1 96 ? 6.954 -38.590 4.060 1.00 0.00 ? 96 SER A CB 18 ATOM 27438 O OG . SER A 1 96 ? 7.124 -39.347 5.246 1.00 0.00 ? 96 SER A OG 18 ATOM 27439 H H . SER A 1 96 ? 6.798 -35.964 2.896 1.00 0.00 ? 96 SER A H 18 ATOM 27440 H HA . SER A 1 96 ? 5.069 -37.691 4.528 1.00 0.00 ? 96 SER A HA 18 ATOM 27441 H HB2 . SER A 1 96 ? 6.491 -39.215 3.312 1.00 0.00 ? 96 SER A HB2 18 ATOM 27442 H HB3 . SER A 1 96 ? 7.924 -38.269 3.710 1.00 0.00 ? 96 SER A HB3 18 ATOM 27443 H HG . SER A 1 96 ? 8.057 -39.524 5.382 1.00 0.00 ? 96 SER A HG 18 ATOM 27444 N N . GLY A 1 97 ? 5.989 -36.789 6.666 1.00 0.00 ? 97 GLY A N 18 ATOM 27445 C CA . GLY A 1 97 ? 6.413 -36.095 7.868 1.00 0.00 ? 97 GLY A CA 18 ATOM 27446 C C . GLY A 1 97 ? 5.741 -36.634 9.116 1.00 0.00 ? 97 GLY A C 18 ATOM 27447 O O . GLY A 1 97 ? 6.050 -37.736 9.569 1.00 0.00 ? 97 GLY A O 18 ATOM 27448 H H . GLY A 1 97 ? 5.241 -37.421 6.705 1.00 0.00 ? 97 GLY A H 18 ATOM 27449 H HA2 . GLY A 1 97 ? 7.482 -36.201 7.974 1.00 0.00 ? 97 GLY A HA2 18 ATOM 27450 H HA3 . GLY A 1 97 ? 6.172 -35.047 7.768 1.00 0.00 ? 97 GLY A HA3 18 ATOM 27451 N N . GLY A 1 1 ? -1.940 12.767 10.322 1.00 0.00 ? 1 GLY A N 19 ATOM 27452 C CA . GLY A 1 1 ? -1.017 13.802 9.894 1.00 0.00 ? 1 GLY A CA 19 ATOM 27453 C C . GLY A 1 1 ? -1.537 15.197 10.180 1.00 0.00 ? 1 GLY A C 19 ATOM 27454 O O . GLY A 1 1 ? -1.511 16.067 9.310 1.00 0.00 ? 1 GLY A O 19 ATOM 27455 H H1 . GLY A 1 1 ? -2.906 12.927 10.280 1.00 0.00 ? 1 GLY A H1 19 ATOM 27456 H HA2 . GLY A 1 1 ? -0.077 13.667 10.408 1.00 0.00 ? 1 GLY A HA2 19 ATOM 27457 H HA3 . GLY A 1 1 ? -0.852 13.704 8.831 1.00 0.00 ? 1 GLY A HA3 19 ATOM 27458 N N . SER A 1 2 ? -2.012 15.411 11.403 1.00 0.00 ? 2 SER A N 19 ATOM 27459 C CA . SER A 1 2 ? -2.546 16.708 11.800 1.00 0.00 ? 2 SER A CA 19 ATOM 27460 C C . SER A 1 2 ? -1.473 17.551 12.484 1.00 0.00 ? 2 SER A C 19 ATOM 27461 O O . SER A 1 2 ? -1.284 17.469 13.698 1.00 0.00 ? 2 SER A O 19 ATOM 27462 C CB . SER A 1 2 ? -3.742 16.527 12.737 1.00 0.00 ? 2 SER A CB 19 ATOM 27463 O OG . SER A 1 2 ? -3.355 15.883 13.939 1.00 0.00 ? 2 SER A OG 19 ATOM 27464 H H . SER A 1 2 ? -2.005 14.677 12.053 1.00 0.00 ? 2 SER A H 19 ATOM 27465 H HA . SER A 1 2 ? -2.873 17.219 10.907 1.00 0.00 ? 2 SER A HA 19 ATOM 27466 H HB2 . SER A 1 2 ? -4.157 17.493 12.977 1.00 0.00 ? 2 SER A HB2 19 ATOM 27467 H HB3 . SER A 1 2 ? -4.492 15.924 12.245 1.00 0.00 ? 2 SER A HB3 19 ATOM 27468 H HG . SER A 1 2 ? -2.861 16.498 14.486 1.00 0.00 ? 2 SER A HG 19 ATOM 27469 N N . SER A 1 3 ? -0.773 18.360 11.696 1.00 0.00 ? 3 SER A N 19 ATOM 27470 C CA . SER A 1 3 ? 0.283 19.216 12.223 1.00 0.00 ? 3 SER A CA 19 ATOM 27471 C C . SER A 1 3 ? 0.313 20.555 11.494 1.00 0.00 ? 3 SER A C 19 ATOM 27472 O O . SER A 1 3 ? 0.334 20.605 10.265 1.00 0.00 ? 3 SER A O 19 ATOM 27473 C CB . SER A 1 3 ? 1.641 18.522 12.095 1.00 0.00 ? 3 SER A CB 19 ATOM 27474 O OG . SER A 1 3 ? 2.579 19.066 13.007 1.00 0.00 ? 3 SER A OG 19 ATOM 27475 H H . SER A 1 3 ? -0.971 18.381 10.736 1.00 0.00 ? 3 SER A H 19 ATOM 27476 H HA . SER A 1 3 ? 0.076 19.392 13.268 1.00 0.00 ? 3 SER A HA 19 ATOM 27477 H HB2 . SER A 1 3 ? 1.526 17.469 12.301 1.00 0.00 ? 3 SER A HB2 19 ATOM 27478 H HB3 . SER A 1 3 ? 2.016 18.654 11.090 1.00 0.00 ? 3 SER A HB3 19 ATOM 27479 H HG . SER A 1 3 ? 3.265 18.418 13.187 1.00 0.00 ? 3 SER A HG 19 ATOM 27480 N N . GLY A 1 4 ? 0.313 21.641 12.262 1.00 0.00 ? 4 GLY A N 19 ATOM 27481 C CA . GLY A 1 4 ? 0.340 22.967 11.673 1.00 0.00 ? 4 GLY A CA 19 ATOM 27482 C C . GLY A 1 4 ? -1.043 23.465 11.305 1.00 0.00 ? 4 GLY A C 19 ATOM 27483 O O . GLY A 1 4 ? -1.915 22.680 10.933 1.00 0.00 ? 4 GLY A O 19 ATOM 27484 H H . GLY A 1 4 ? 0.296 21.540 13.237 1.00 0.00 ? 4 GLY A H 19 ATOM 27485 H HA2 . GLY A 1 4 ? 0.783 23.653 12.378 1.00 0.00 ? 4 GLY A HA2 19 ATOM 27486 H HA3 . GLY A 1 4 ? 0.949 22.940 10.781 1.00 0.00 ? 4 GLY A HA3 19 ATOM 27487 N N . SER A 1 5 ? -1.246 24.775 11.410 1.00 0.00 ? 5 SER A N 19 ATOM 27488 C CA . SER A 1 5 ? -2.535 25.377 11.091 1.00 0.00 ? 5 SER A CA 19 ATOM 27489 C C . SER A 1 5 ? -2.789 25.351 9.587 1.00 0.00 ? 5 SER A C 19 ATOM 27490 O O . SER A 1 5 ? -3.857 24.939 9.134 1.00 0.00 ? 5 SER A O 19 ATOM 27491 C CB . SER A 1 5 ? -2.590 26.817 11.604 1.00 0.00 ? 5 SER A CB 19 ATOM 27492 O OG . SER A 1 5 ? -1.551 27.599 11.042 1.00 0.00 ? 5 SER A OG 19 ATOM 27493 H H . SER A 1 5 ? -0.511 25.349 11.712 1.00 0.00 ? 5 SER A H 19 ATOM 27494 H HA . SER A 1 5 ? -3.302 24.798 11.584 1.00 0.00 ? 5 SER A HA 19 ATOM 27495 H HB2 . SER A 1 5 ? -3.539 27.256 11.337 1.00 0.00 ? 5 SER A HB2 19 ATOM 27496 H HB3 . SER A 1 5 ? -2.484 26.817 12.680 1.00 0.00 ? 5 SER A HB3 19 ATOM 27497 H HG . SER A 1 5 ? -0.705 27.305 11.389 1.00 0.00 ? 5 SER A HG 19 ATOM 27498 N N . SER A 1 6 ? -1.800 25.794 8.818 1.00 0.00 ? 6 SER A N 19 ATOM 27499 C CA . SER A 1 6 ? -1.916 25.826 7.365 1.00 0.00 ? 6 SER A CA 19 ATOM 27500 C C . SER A 1 6 ? -0.988 24.799 6.723 1.00 0.00 ? 6 SER A C 19 ATOM 27501 O O . SER A 1 6 ? 0.214 25.028 6.592 1.00 0.00 ? 6 SER A O 19 ATOM 27502 C CB . SER A 1 6 ? -1.591 27.225 6.837 1.00 0.00 ? 6 SER A CB 19 ATOM 27503 O OG . SER A 1 6 ? -0.231 27.552 7.064 1.00 0.00 ? 6 SER A OG 19 ATOM 27504 H H . SER A 1 6 ? -0.972 26.110 9.239 1.00 0.00 ? 6 SER A H 19 ATOM 27505 H HA . SER A 1 6 ? -2.936 25.582 7.109 1.00 0.00 ? 6 SER A HA 19 ATOM 27506 H HB2 . SER A 1 6 ? -1.785 27.260 5.776 1.00 0.00 ? 6 SER A HB2 19 ATOM 27507 H HB3 . SER A 1 6 ? -2.213 27.950 7.341 1.00 0.00 ? 6 SER A HB3 19 ATOM 27508 H HG . SER A 1 6 ? 0.327 27.016 6.496 1.00 0.00 ? 6 SER A HG 19 ATOM 27509 N N . GLY A 1 7 ? -1.556 23.665 6.324 1.00 0.00 ? 7 GLY A N 19 ATOM 27510 C CA . GLY A 1 7 ? -0.766 22.620 5.700 1.00 0.00 ? 7 GLY A CA 19 ATOM 27511 C C . GLY A 1 7 ? -1.366 22.142 4.393 1.00 0.00 ? 7 GLY A C 19 ATOM 27512 O O . GLY A 1 7 ? -2.524 22.430 4.091 1.00 0.00 ? 7 GLY A O 19 ATOM 27513 H H . GLY A 1 7 ? -2.519 23.538 6.453 1.00 0.00 ? 7 GLY A H 19 ATOM 27514 H HA2 . GLY A 1 7 ? 0.227 22.998 5.511 1.00 0.00 ? 7 GLY A HA2 19 ATOM 27515 H HA3 . GLY A 1 7 ? -0.699 21.782 6.379 1.00 0.00 ? 7 GLY A HA3 19 ATOM 27516 N N . MET A 1 8 ? -0.576 21.410 3.614 1.00 0.00 ? 8 MET A N 19 ATOM 27517 C CA . MET A 1 8 ? -1.036 20.891 2.331 1.00 0.00 ? 8 MET A CA 19 ATOM 27518 C C . MET A 1 8 ? -2.432 20.289 2.457 1.00 0.00 ? 8 MET A C 19 ATOM 27519 O O . MET A 1 8 ? -2.586 19.137 2.862 1.00 0.00 ? 8 MET A O 19 ATOM 27520 C CB . MET A 1 8 ? -0.060 19.839 1.802 1.00 0.00 ? 8 MET A CB 19 ATOM 27521 C CG . MET A 1 8 ? -0.119 19.660 0.293 1.00 0.00 ? 8 MET A CG 19 ATOM 27522 S SD . MET A 1 8 ? 0.332 21.158 -0.603 1.00 0.00 ? 8 MET A SD 19 ATOM 27523 C CE . MET A 1 8 ? 1.620 20.534 -1.680 1.00 0.00 ? 8 MET A CE 19 ATOM 27524 H H . MET A 1 8 ? 0.338 21.213 3.908 1.00 0.00 ? 8 MET A H 19 ATOM 27525 H HA . MET A 1 8 ? -1.075 21.716 1.635 1.00 0.00 ? 8 MET A HA 19 ATOM 27526 H HB2 . MET A 1 8 ? 0.945 20.131 2.069 1.00 0.00 ? 8 MET A HB2 19 ATOM 27527 H HB3 . MET A 1 8 ? -0.286 18.890 2.264 1.00 0.00 ? 8 MET A HB3 19 ATOM 27528 H HG2 . MET A 1 8 ? 0.562 18.871 0.011 1.00 0.00 ? 8 MET A HG2 19 ATOM 27529 H HG3 . MET A 1 8 ? -1.125 19.380 0.017 1.00 0.00 ? 8 MET A HG3 19 ATOM 27530 H HE1 . MET A 1 8 ? 2.386 20.057 -1.088 1.00 0.00 ? 8 MET A HE1 19 ATOM 27531 H HE2 . MET A 1 8 ? 1.196 19.817 -2.368 1.00 0.00 ? 8 MET A HE2 19 ATOM 27532 H HE3 . MET A 1 8 ? 2.052 21.354 -2.236 1.00 0.00 ? 8 MET A HE3 19 ATOM 27533 N N . GLU A 1 9 ? -3.445 21.076 2.109 1.00 0.00 ? 9 GLU A N 19 ATOM 27534 C CA . GLU A 1 9 ? -4.828 20.618 2.185 1.00 0.00 ? 9 GLU A CA 19 ATOM 27535 C C . GLU A 1 9 ? -5.368 20.283 0.798 1.00 0.00 ? 9 GLU A C 19 ATOM 27536 O O . GLU A 1 9 ? -5.836 21.160 0.074 1.00 0.00 ? 9 GLU A O 19 ATOM 27537 C CB . GLU A 1 9 ? -5.706 21.686 2.842 1.00 0.00 ? 9 GLU A CB 19 ATOM 27538 C CG . GLU A 1 9 ? -5.714 21.618 4.360 1.00 0.00 ? 9 GLU A CG 19 ATOM 27539 C CD . GLU A 1 9 ? -6.517 20.445 4.888 1.00 0.00 ? 9 GLU A CD 19 ATOM 27540 O OE1 . GLU A 1 9 ? -6.109 19.290 4.647 1.00 0.00 ? 9 GLU A OE1 19 ATOM 27541 O OE2 . GLU A 1 9 ? -7.554 20.684 5.541 1.00 0.00 ? 9 GLU A OE2 19 ATOM 27542 H H . GLU A 1 9 ? -3.259 21.985 1.794 1.00 0.00 ? 9 GLU A H 19 ATOM 27543 H HA . GLU A 1 9 ? -4.849 19.726 2.792 1.00 0.00 ? 9 GLU A HA 19 ATOM 27544 H HB2 . GLU A 1 9 ? -5.348 22.661 2.547 1.00 0.00 ? 9 GLU A HB2 19 ATOM 27545 H HB3 . GLU A 1 9 ? -6.721 21.564 2.492 1.00 0.00 ? 9 GLU A HB3 19 ATOM 27546 H HG2 . GLU A 1 9 ? -4.696 21.524 4.709 1.00 0.00 ? 9 GLU A HG2 19 ATOM 27547 H HG3 . GLU A 1 9 ? -6.142 22.532 4.746 1.00 0.00 ? 9 GLU A HG3 19 ATOM 27548 N N . GLY A 1 10 ? -5.297 19.006 0.435 1.00 0.00 ? 10 GLY A N 19 ATOM 27549 C CA . GLY A 1 10 ? -5.781 18.576 -0.864 1.00 0.00 ? 10 GLY A CA 19 ATOM 27550 C C . GLY A 1 10 ? -5.286 17.194 -1.239 1.00 0.00 ? 10 GLY A C 19 ATOM 27551 O O . GLY A 1 10 ? -6.049 16.228 -1.280 1.00 0.00 ? 10 GLY A O 19 ATOM 27552 H H . GLY A 1 10 ? -4.914 18.350 1.054 1.00 0.00 ? 10 GLY A H 19 ATOM 27553 H HA2 . GLY A 1 10 ? -6.861 18.570 -0.850 1.00 0.00 ? 10 GLY A HA2 19 ATOM 27554 H HA3 . GLY A 1 10 ? -5.445 19.281 -1.611 1.00 0.00 ? 10 GLY A HA3 19 ATOM 27555 N N . PRO A 1 11 ? -3.980 17.085 -1.523 1.00 0.00 ? 11 PRO A N 19 ATOM 27556 C CA . PRO A 1 11 ? -3.355 15.814 -1.903 1.00 0.00 ? 11 PRO A CA 19 ATOM 27557 C C . PRO A 1 11 ? -3.284 14.833 -0.738 1.00 0.00 ? 11 PRO A C 19 ATOM 27558 O O . PRO A 1 11 ? -3.140 13.626 -0.938 1.00 0.00 ? 11 PRO A O 19 ATOM 27559 C CB . PRO A 1 11 ? -1.948 16.228 -2.341 1.00 0.00 ? 11 PRO A CB 19 ATOM 27560 C CG . PRO A 1 11 ? -1.683 17.500 -1.612 1.00 0.00 ? 11 PRO A CG 19 ATOM 27561 C CD . PRO A 1 11 ? -3.012 18.194 -1.495 1.00 0.00 ? 11 PRO A CD 19 ATOM 27562 H HA . PRO A 1 11 ? -3.871 15.351 -2.732 1.00 0.00 ? 11 PRO A HA 19 ATOM 27563 H HB2 . PRO A 1 11 ? -1.242 15.458 -2.063 1.00 0.00 ? 11 PRO A HB2 19 ATOM 27564 H HB3 . PRO A 1 11 ? -1.928 16.374 -3.410 1.00 0.00 ? 11 PRO A HB3 19 ATOM 27565 H HG2 . PRO A 1 11 ? -1.284 17.286 -0.633 1.00 0.00 ? 11 PRO A HG2 19 ATOM 27566 H HG3 . PRO A 1 11 ? -0.992 18.108 -2.177 1.00 0.00 ? 11 PRO A HG3 19 ATOM 27567 H HD2 . PRO A 1 11 ? -3.073 18.736 -0.563 1.00 0.00 ? 11 PRO A HD2 19 ATOM 27568 H HD3 . PRO A 1 11 ? -3.165 18.860 -2.331 1.00 0.00 ? 11 PRO A HD3 19 ATOM 27569 N N . LEU A 1 12 ? -3.386 15.357 0.478 1.00 0.00 ? 12 LEU A N 19 ATOM 27570 C CA . LEU A 1 12 ? -3.333 14.525 1.676 1.00 0.00 ? 12 LEU A CA 19 ATOM 27571 C C . LEU A 1 12 ? -4.536 13.589 1.742 1.00 0.00 ? 12 LEU A C 19 ATOM 27572 O O . LEU A 1 12 ? -4.382 12.371 1.815 1.00 0.00 ? 12 LEU A O 19 ATOM 27573 C CB . LEU A 1 12 ? -3.287 15.403 2.928 1.00 0.00 ? 12 LEU A CB 19 ATOM 27574 C CG . LEU A 1 12 ? -1.897 15.848 3.385 1.00 0.00 ? 12 LEU A CG 19 ATOM 27575 C CD1 . LEU A 1 12 ? -2.005 16.873 4.503 1.00 0.00 ? 12 LEU A CD1 19 ATOM 27576 C CD2 . LEU A 1 12 ? -1.075 14.649 3.835 1.00 0.00 ? 12 LEU A CD2 19 ATOM 27577 H H . LEU A 1 12 ? -3.499 16.325 0.574 1.00 0.00 ? 12 LEU A H 19 ATOM 27578 H HA . LEU A 1 12 ? -2.432 13.932 1.628 1.00 0.00 ? 12 LEU A HA 19 ATOM 27579 H HB2 . LEU A 1 12 ? -3.869 16.290 2.732 1.00 0.00 ? 12 LEU A HB2 19 ATOM 27580 H HB3 . LEU A 1 12 ? -3.740 14.848 3.737 1.00 0.00 ? 12 LEU A HB3 19 ATOM 27581 H HG . LEU A 1 12 ? -1.384 16.313 2.554 1.00 0.00 ? 12 LEU A HG 19 ATOM 27582 H HD11 . LEU A 1 12 ? -1.436 17.752 4.241 1.00 0.00 ? 12 LEU A HD11 19 ATOM 27583 H HD12 . LEU A 1 12 ? -1.615 16.450 5.417 1.00 0.00 ? 12 LEU A HD12 19 ATOM 27584 H HD13 . LEU A 1 12 ? -3.041 17.143 4.645 1.00 0.00 ? 12 LEU A HD13 19 ATOM 27585 H HD21 . LEU A 1 12 ? -0.292 14.980 4.502 1.00 0.00 ? 12 LEU A HD21 19 ATOM 27586 H HD22 . LEU A 1 12 ? -0.634 14.171 2.972 1.00 0.00 ? 12 LEU A HD22 19 ATOM 27587 H HD23 . LEU A 1 12 ? -1.714 13.947 4.349 1.00 0.00 ? 12 LEU A HD23 19 ATOM 27588 N N . ASN A 1 13 ? -5.732 14.167 1.714 1.00 0.00 ? 13 ASN A N 19 ATOM 27589 C CA . ASN A 1 13 ? -6.961 13.384 1.769 1.00 0.00 ? 13 ASN A CA 19 ATOM 27590 C C . ASN A 1 13 ? -7.156 12.587 0.483 1.00 0.00 ? 13 ASN A C 19 ATOM 27591 O O . ASN A 1 13 ? -7.907 11.611 0.452 1.00 0.00 ? 13 ASN A O 19 ATOM 27592 C CB . ASN A 1 13 ? -8.164 14.300 2.002 1.00 0.00 ? 13 ASN A CB 19 ATOM 27593 C CG . ASN A 1 13 ? -9.376 13.545 2.513 1.00 0.00 ? 13 ASN A CG 19 ATOM 27594 O OD1 . ASN A 1 13 ? -10.230 13.120 1.735 1.00 0.00 ? 13 ASN A OD1 19 ATOM 27595 N ND2 . ASN A 1 13 ? -9.455 13.374 3.828 1.00 0.00 ? 13 ASN A ND2 19 ATOM 27596 H H . ASN A 1 13 ? -5.790 15.144 1.655 1.00 0.00 ? 13 ASN A H 19 ATOM 27597 H HA . ASN A 1 13 ? -6.878 12.696 2.596 1.00 0.00 ? 13 ASN A HA 19 ATOM 27598 H HB2 . ASN A 1 13 ? -7.900 15.053 2.731 1.00 0.00 ? 13 ASN A HB2 19 ATOM 27599 H HB3 . ASN A 1 13 ? -8.428 14.782 1.073 1.00 0.00 ? 13 ASN A HB3 19 ATOM 27600 H HD21 . ASN A 1 13 ? -8.737 13.739 4.387 1.00 0.00 ? 13 ASN A HD21 19 ATOM 27601 H HD22 . ASN A 1 13 ? -10.227 12.888 4.185 1.00 0.00 ? 13 ASN A HD22 19 ATOM 27602 N N . LEU A 1 14 ? -6.475 13.009 -0.577 1.00 0.00 ? 14 LEU A N 19 ATOM 27603 C CA . LEU A 1 14 ? -6.573 12.335 -1.867 1.00 0.00 ? 14 LEU A CA 19 ATOM 27604 C C . LEU A 1 14 ? -5.817 11.010 -1.847 1.00 0.00 ? 14 LEU A C 19 ATOM 27605 O O . LEU A 1 14 ? -6.350 9.974 -2.246 1.00 0.00 ? 14 LEU A O 19 ATOM 27606 C CB . LEU A 1 14 ? -6.022 13.232 -2.977 1.00 0.00 ? 14 LEU A CB 19 ATOM 27607 C CG . LEU A 1 14 ? -7.023 14.190 -3.624 1.00 0.00 ? 14 LEU A CG 19 ATOM 27608 C CD1 . LEU A 1 14 ? -6.324 15.097 -4.625 1.00 0.00 ? 14 LEU A CD1 19 ATOM 27609 C CD2 . LEU A 1 14 ? -8.145 13.413 -4.298 1.00 0.00 ? 14 LEU A CD2 19 ATOM 27610 H H . LEU A 1 14 ? -5.893 13.792 -0.491 1.00 0.00 ? 14 LEU A H 19 ATOM 27611 H HA . LEU A 1 14 ? -7.617 12.137 -2.059 1.00 0.00 ? 14 LEU A HA 19 ATOM 27612 H HB2 . LEU A 1 14 ? -5.223 13.824 -2.557 1.00 0.00 ? 14 LEU A HB2 19 ATOM 27613 H HB3 . LEU A 1 14 ? -5.626 12.592 -3.752 1.00 0.00 ? 14 LEU A HB3 19 ATOM 27614 H HG . LEU A 1 14 ? -7.461 14.815 -2.858 1.00 0.00 ? 14 LEU A HG 19 ATOM 27615 H HD11 . LEU A 1 14 ? -5.670 14.507 -5.249 1.00 0.00 ? 14 LEU A HD11 19 ATOM 27616 H HD12 . LEU A 1 14 ? -5.745 15.838 -4.095 1.00 0.00 ? 14 LEU A HD12 19 ATOM 27617 H HD13 . LEU A 1 14 ? -7.062 15.590 -5.240 1.00 0.00 ? 14 LEU A HD13 19 ATOM 27618 H HD21 . LEU A 1 14 ? -7.722 12.684 -4.973 1.00 0.00 ? 14 LEU A HD21 19 ATOM 27619 H HD22 . LEU A 1 14 ? -8.772 14.096 -4.853 1.00 0.00 ? 14 LEU A HD22 19 ATOM 27620 H HD23 . LEU A 1 14 ? -8.736 12.910 -3.547 1.00 0.00 ? 14 LEU A HD23 19 ATOM 27621 N N . ALA A 1 15 ? -4.574 11.050 -1.378 1.00 0.00 ? 15 ALA A N 19 ATOM 27622 C CA . ALA A 1 15 ? -3.747 9.852 -1.302 1.00 0.00 ? 15 ALA A CA 19 ATOM 27623 C C . ALA A 1 15 ? -4.320 8.852 -0.304 1.00 0.00 ? 15 ALA A C 19 ATOM 27624 O O . ALA A 1 15 ? -3.883 7.703 -0.241 1.00 0.00 ? 15 ALA A O 19 ATOM 27625 C CB . ALA A 1 15 ? -2.320 10.219 -0.924 1.00 0.00 ? 15 ALA A CB 19 ATOM 27626 H H . ALA A 1 15 ? -4.206 11.906 -1.075 1.00 0.00 ? 15 ALA A H 19 ATOM 27627 H HA . ALA A 1 15 ? -3.728 9.397 -2.282 1.00 0.00 ? 15 ALA A HA 19 ATOM 27628 H HB1 . ALA A 1 15 ? -2.074 9.770 0.027 1.00 0.00 ? 15 ALA A HB1 19 ATOM 27629 H HB2 . ALA A 1 15 ? -1.642 9.855 -1.682 1.00 0.00 ? 15 ALA A HB2 19 ATOM 27630 H HB3 . ALA A 1 15 ? -2.233 11.293 -0.848 1.00 0.00 ? 15 ALA A HB3 19 ATOM 27631 N N . HIS A 1 16 ? -5.302 9.296 0.475 1.00 0.00 ? 16 HIS A N 19 ATOM 27632 C CA . HIS A 1 16 ? -5.935 8.439 1.471 1.00 0.00 ? 16 HIS A CA 19 ATOM 27633 C C . HIS A 1 16 ? -6.883 7.445 0.808 1.00 0.00 ? 16 HIS A C 19 ATOM 27634 O O . HIS A 1 16 ? -7.062 6.327 1.291 1.00 0.00 ? 16 HIS A O 19 ATOM 27635 C CB . HIS A 1 16 ? -6.696 9.284 2.492 1.00 0.00 ? 16 HIS A CB 19 ATOM 27636 C CG . HIS A 1 16 ? -5.804 10.067 3.406 1.00 0.00 ? 16 HIS A CG 19 ATOM 27637 N ND1 . HIS A 1 16 ? -6.254 11.115 4.180 1.00 0.00 ? 16 HIS A ND1 19 ATOM 27638 C CD2 . HIS A 1 16 ? -4.482 9.947 3.669 1.00 0.00 ? 16 HIS A CD2 19 ATOM 27639 C CE1 . HIS A 1 16 ? -5.246 11.608 4.878 1.00 0.00 ? 16 HIS A CE1 19 ATOM 27640 N NE2 . HIS A 1 16 ? -4.160 10.916 4.587 1.00 0.00 ? 16 HIS A NE2 19 ATOM 27641 H H . HIS A 1 16 ? -5.607 10.222 0.377 1.00 0.00 ? 16 HIS A H 19 ATOM 27642 H HA . HIS A 1 16 ? -5.156 7.891 1.979 1.00 0.00 ? 16 HIS A HA 19 ATOM 27643 H HB2 . HIS A 1 16 ? -7.330 9.985 1.969 1.00 0.00 ? 16 HIS A HB2 19 ATOM 27644 H HB3 . HIS A 1 16 ? -7.310 8.636 3.101 1.00 0.00 ? 16 HIS A HB3 19 ATOM 27645 H HD1 . HIS A 1 16 ? -7.174 11.450 4.212 1.00 0.00 ? 16 HIS A HD1 19 ATOM 27646 H HD2 . HIS A 1 16 ? -3.805 9.223 3.237 1.00 0.00 ? 16 HIS A HD2 19 ATOM 27647 H HE1 . HIS A 1 16 ? -5.301 12.435 5.570 1.00 0.00 ? 16 HIS A HE1 19 ATOM 27648 H HE2 . HIS A 1 16 ? -3.256 11.127 4.900 1.00 0.00 ? 16 HIS A HE2 19 ATOM 27649 N N . GLN A 1 17 ? -7.488 7.860 -0.301 1.00 0.00 ? 17 GLN A N 19 ATOM 27650 C CA . GLN A 1 17 ? -8.419 7.005 -1.028 1.00 0.00 ? 17 GLN A CA 19 ATOM 27651 C C . GLN A 1 17 ? -7.754 5.692 -1.427 1.00 0.00 ? 17 GLN A C 19 ATOM 27652 O O . GLN A 1 17 ? -8.418 4.663 -1.552 1.00 0.00 ? 17 GLN A O 19 ATOM 27653 C CB . GLN A 1 17 ? -8.939 7.726 -2.273 1.00 0.00 ? 17 GLN A CB 19 ATOM 27654 C CG . GLN A 1 17 ? -8.012 7.614 -3.473 1.00 0.00 ? 17 GLN A CG 19 ATOM 27655 C CD . GLN A 1 17 ? -8.637 8.150 -4.745 1.00 0.00 ? 17 GLN A CD 19 ATOM 27656 O OE1 . GLN A 1 17 ? -8.911 7.399 -5.682 1.00 0.00 ? 17 GLN A OE1 19 ATOM 27657 N NE2 . GLN A 1 17 ? -8.867 9.458 -4.787 1.00 0.00 ? 17 GLN A NE2 19 ATOM 27658 H H . GLN A 1 17 ? -7.304 8.761 -0.636 1.00 0.00 ? 17 GLN A H 19 ATOM 27659 H HA . GLN A 1 17 ? -9.250 6.789 -0.375 1.00 0.00 ? 17 GLN A HA 19 ATOM 27660 H HB2 . GLN A 1 17 ? -9.896 7.306 -2.544 1.00 0.00 ? 17 GLN A HB2 19 ATOM 27661 H HB3 . GLN A 1 17 ? -9.067 8.773 -2.041 1.00 0.00 ? 17 GLN A HB3 19 ATOM 27662 H HG2 . GLN A 1 17 ? -7.111 8.173 -3.270 1.00 0.00 ? 17 GLN A HG2 19 ATOM 27663 H HG3 . GLN A 1 17 ? -7.763 6.573 -3.622 1.00 0.00 ? 17 GLN A HG3 19 ATOM 27664 H HE21 . GLN A 1 17 ? -8.622 9.995 -4.004 1.00 0.00 ? 17 GLN A HE21 19 ATOM 27665 H HE22 . GLN A 1 17 ? -9.270 9.832 -5.597 1.00 0.00 ? 17 GLN A HE22 19 ATOM 27666 N N . GLN A 1 18 ? -6.441 5.735 -1.625 1.00 0.00 ? 18 GLN A N 19 ATOM 27667 C CA . GLN A 1 18 ? -5.687 4.548 -2.011 1.00 0.00 ? 18 GLN A CA 19 ATOM 27668 C C . GLN A 1 18 ? -5.203 3.787 -0.781 1.00 0.00 ? 18 GLN A C 19 ATOM 27669 O O . GLN A 1 18 ? -5.423 2.582 -0.658 1.00 0.00 ? 18 GLN A O 19 ATOM 27670 C CB . GLN A 1 18 ? -4.495 4.937 -2.887 1.00 0.00 ? 18 GLN A CB 19 ATOM 27671 C CG . GLN A 1 18 ? -4.893 5.493 -4.245 1.00 0.00 ? 18 GLN A CG 19 ATOM 27672 C CD . GLN A 1 18 ? -5.826 4.570 -5.002 1.00 0.00 ? 18 GLN A CD 19 ATOM 27673 O OE1 . GLN A 1 18 ? -7.041 4.595 -4.801 1.00 0.00 ? 18 GLN A OE1 19 ATOM 27674 N NE2 . GLN A 1 18 ? -5.263 3.748 -5.880 1.00 0.00 ? 18 GLN A NE2 19 ATOM 27675 H H . GLN A 1 18 ? -5.968 6.585 -1.510 1.00 0.00 ? 18 GLN A H 19 ATOM 27676 H HA . GLN A 1 18 ? -6.345 3.908 -2.579 1.00 0.00 ? 18 GLN A HA 19 ATOM 27677 H HB2 . GLN A 1 18 ? -3.914 5.687 -2.371 1.00 0.00 ? 18 GLN A HB2 19 ATOM 27678 H HB3 . GLN A 1 18 ? -3.880 4.064 -3.046 1.00 0.00 ? 18 GLN A HB3 19 ATOM 27679 H HG2 . GLN A 1 18 ? -5.389 6.441 -4.100 1.00 0.00 ? 18 GLN A HG2 19 ATOM 27680 H HG3 . GLN A 1 18 ? -4.000 5.642 -4.834 1.00 0.00 ? 18 GLN A HG3 19 ATOM 27681 H HE21 . GLN A 1 18 ? -4.289 3.783 -5.987 1.00 0.00 ? 18 GLN A HE21 19 ATOM 27682 H HE22 . GLN A 1 18 ? -5.842 3.140 -6.383 1.00 0.00 ? 18 GLN A HE22 19 ATOM 27683 N N . SER A 1 19 ? -4.542 4.498 0.126 1.00 0.00 ? 19 SER A N 19 ATOM 27684 C CA . SER A 1 19 ? -4.023 3.889 1.345 1.00 0.00 ? 19 SER A CA 19 ATOM 27685 C C . SER A 1 19 ? -4.994 2.844 1.886 1.00 0.00 ? 19 SER A C 19 ATOM 27686 O O . SER A 1 19 ? -4.619 1.695 2.120 1.00 0.00 ? 19 SER A O 19 ATOM 27687 C CB . SER A 1 19 ? -3.765 4.960 2.407 1.00 0.00 ? 19 SER A CB 19 ATOM 27688 O OG . SER A 1 19 ? -3.311 4.380 3.617 1.00 0.00 ? 19 SER A OG 19 ATOM 27689 H H . SER A 1 19 ? -4.398 5.455 -0.029 1.00 0.00 ? 19 SER A H 19 ATOM 27690 H HA . SER A 1 19 ? -3.089 3.404 1.101 1.00 0.00 ? 19 SER A HA 19 ATOM 27691 H HB2 . SER A 1 19 ? -3.014 5.647 2.047 1.00 0.00 ? 19 SER A HB2 19 ATOM 27692 H HB3 . SER A 1 19 ? -4.682 5.498 2.601 1.00 0.00 ? 19 SER A HB3 19 ATOM 27693 H HG . SER A 1 19 ? -2.366 4.223 3.562 1.00 0.00 ? 19 SER A HG 19 ATOM 27694 N N . ARG A 1 20 ? -6.244 3.252 2.082 1.00 0.00 ? 20 ARG A N 19 ATOM 27695 C CA . ARG A 1 20 ? -7.269 2.352 2.597 1.00 0.00 ? 20 ARG A CA 19 ATOM 27696 C C . ARG A 1 20 ? -7.294 1.047 1.807 1.00 0.00 ? 20 ARG A C 19 ATOM 27697 O O . ARG A 1 20 ? -7.246 -0.040 2.383 1.00 0.00 ? 20 ARG A O 19 ATOM 27698 C CB . ARG A 1 20 ? -8.643 3.023 2.537 1.00 0.00 ? 20 ARG A CB 19 ATOM 27699 C CG . ARG A 1 20 ? -8.958 3.646 1.187 1.00 0.00 ? 20 ARG A CG 19 ATOM 27700 C CD . ARG A 1 20 ? -10.215 4.499 1.247 1.00 0.00 ? 20 ARG A CD 19 ATOM 27701 N NE . ARG A 1 20 ? -11.429 3.695 1.125 1.00 0.00 ? 20 ARG A NE 19 ATOM 27702 C CZ . ARG A 1 20 ? -11.796 3.085 0.004 1.00 0.00 ? 20 ARG A CZ 19 ATOM 27703 N NH1 . ARG A 1 20 ? -11.047 3.186 -1.086 1.00 0.00 ? 20 ARG A NH1 19 ATOM 27704 N NH2 . ARG A 1 20 ? -12.914 2.371 -0.029 1.00 0.00 ? 20 ARG A NH2 19 ATOM 27705 H H . ARG A 1 20 ? -6.481 4.180 1.877 1.00 0.00 ? 20 ARG A H 19 ATOM 27706 H HA . ARG A 1 20 ? -7.031 2.132 3.626 1.00 0.00 ? 20 ARG A HA 19 ATOM 27707 H HB2 . ARG A 1 20 ? -9.401 2.285 2.754 1.00 0.00 ? 20 ARG A HB2 19 ATOM 27708 H HB3 . ARG A 1 20 ? -8.683 3.800 3.286 1.00 0.00 ? 20 ARG A HB3 19 ATOM 27709 H HG2 . ARG A 1 20 ? -8.128 4.269 0.885 1.00 0.00 ? 20 ARG A HG2 19 ATOM 27710 H HG3 . ARG A 1 20 ? -9.102 2.859 0.463 1.00 0.00 ? 20 ARG A HG3 19 ATOM 27711 H HD2 . ARG A 1 20 ? -10.235 5.022 2.192 1.00 0.00 ? 20 ARG A HD2 19 ATOM 27712 H HD3 . ARG A 1 20 ? -10.187 5.216 0.440 1.00 0.00 ? 20 ARG A HD3 19 ATOM 27713 H HE . ARG A 1 20 ? -11.997 3.607 1.918 1.00 0.00 ? 20 ARG A HE 19 ATOM 27714 H HH11 . ARG A 1 20 ? -10.204 3.723 -1.064 1.00 0.00 ? 20 ARG A HH11 19 ATOM 27715 H HH12 . ARG A 1 20 ? -11.325 2.725 -1.929 1.00 0.00 ? 20 ARG A HH12 19 ATOM 27716 H HH21 . ARG A 1 20 ? -13.481 2.292 0.791 1.00 0.00 ? 20 ARG A HH21 19 ATOM 27717 H HH22 . ARG A 1 20 ? -13.189 1.912 -0.873 1.00 0.00 ? 20 ARG A HH22 19 ATOM 27718 N N . ARG A 1 21 ? -7.370 1.163 0.485 1.00 0.00 ? 21 ARG A N 19 ATOM 27719 C CA . ARG A 1 21 ? -7.403 -0.007 -0.384 1.00 0.00 ? 21 ARG A CA 19 ATOM 27720 C C . ARG A 1 21 ? -6.307 -0.998 -0.003 1.00 0.00 ? 21 ARG A C 19 ATOM 27721 O O . ARG A 1 21 ? -6.584 -2.156 0.308 1.00 0.00 ? 21 ARG A O 19 ATOM 27722 C CB . ARG A 1 21 ? -7.240 0.412 -1.846 1.00 0.00 ? 21 ARG A CB 19 ATOM 27723 C CG . ARG A 1 21 ? -7.049 -0.757 -2.798 1.00 0.00 ? 21 ARG A CG 19 ATOM 27724 C CD . ARG A 1 21 ? -7.330 -0.356 -4.237 1.00 0.00 ? 21 ARG A CD 19 ATOM 27725 N NE . ARG A 1 21 ? -7.519 -1.518 -5.102 1.00 0.00 ? 21 ARG A NE 19 ATOM 27726 C CZ . ARG A 1 21 ? -7.855 -1.432 -6.385 1.00 0.00 ? 21 ARG A CZ 19 ATOM 27727 N NH1 . ARG A 1 21 ? -8.037 -0.246 -6.948 1.00 0.00 ? 21 ARG A NH1 19 ATOM 27728 N NH2 . ARG A 1 21 ? -8.009 -2.535 -7.106 1.00 0.00 ? 21 ARG A NH2 19 ATOM 27729 H H . ARG A 1 21 ? -7.405 2.057 0.084 1.00 0.00 ? 21 ARG A H 19 ATOM 27730 H HA . ARG A 1 21 ? -8.363 -0.485 -0.260 1.00 0.00 ? 21 ARG A HA 19 ATOM 27731 H HB2 . ARG A 1 21 ? -8.122 0.956 -2.153 1.00 0.00 ? 21 ARG A HB2 19 ATOM 27732 H HB3 . ARG A 1 21 ? -6.381 1.060 -1.929 1.00 0.00 ? 21 ARG A HB3 19 ATOM 27733 H HG2 . ARG A 1 21 ? -6.029 -1.105 -2.725 1.00 0.00 ? 21 ARG A HG2 19 ATOM 27734 H HG3 . ARG A 1 21 ? -7.723 -1.552 -2.516 1.00 0.00 ? 21 ARG A HG3 19 ATOM 27735 H HD2 . ARG A 1 21 ? -8.225 0.248 -4.261 1.00 0.00 ? 21 ARG A HD2 19 ATOM 27736 H HD3 . ARG A 1 21 ? -6.496 0.223 -4.605 1.00 0.00 ? 21 ARG A HD3 19 ATOM 27737 H HE . ARG A 1 21 ? -7.390 -2.404 -4.706 1.00 0.00 ? 21 ARG A HE 19 ATOM 27738 H HH11 . ARG A 1 21 ? -7.921 0.587 -6.407 1.00 0.00 ? 21 ARG A HH11 19 ATOM 27739 H HH12 . ARG A 1 21 ? -8.289 -0.184 -7.914 1.00 0.00 ? 21 ARG A HH12 19 ATOM 27740 H HH21 . ARG A 1 21 ? -7.873 -3.431 -6.685 1.00 0.00 ? 21 ARG A HH21 19 ATOM 27741 H HH22 . ARG A 1 21 ? -8.262 -2.469 -8.071 1.00 0.00 ? 21 ARG A HH22 19 ATOM 27742 N N . ALA A 1 22 ? -5.061 -0.534 -0.031 1.00 0.00 ? 22 ALA A N 19 ATOM 27743 C CA . ALA A 1 22 ? -3.924 -1.379 0.312 1.00 0.00 ? 22 ALA A CA 19 ATOM 27744 C C . ALA A 1 22 ? -4.165 -2.118 1.624 1.00 0.00 ? 22 ALA A C 19 ATOM 27745 O O . ALA A 1 22 ? -4.029 -3.340 1.693 1.00 0.00 ? 22 ALA A O 19 ATOM 27746 C CB . ALA A 1 22 ? -2.655 -0.545 0.399 1.00 0.00 ? 22 ALA A CB 19 ATOM 27747 H H . ALA A 1 22 ? -4.904 0.398 -0.288 1.00 0.00 ? 22 ALA A H 19 ATOM 27748 H HA . ALA A 1 22 ? -3.795 -2.104 -0.479 1.00 0.00 ? 22 ALA A HA 19 ATOM 27749 H HB1 . ALA A 1 22 ? -2.788 0.372 -0.156 1.00 0.00 ? 22 ALA A HB1 19 ATOM 27750 H HB2 . ALA A 1 22 ? -2.447 -0.313 1.433 1.00 0.00 ? 22 ALA A HB2 19 ATOM 27751 H HB3 . ALA A 1 22 ? -1.829 -1.102 -0.017 1.00 0.00 ? 22 ALA A HB3 19 ATOM 27752 N N . ASP A 1 23 ? -4.524 -1.370 2.661 1.00 0.00 ? 23 ASP A N 19 ATOM 27753 C CA . ASP A 1 23 ? -4.784 -1.955 3.972 1.00 0.00 ? 23 ASP A CA 19 ATOM 27754 C C . ASP A 1 23 ? -5.839 -3.053 3.877 1.00 0.00 ? 23 ASP A C 19 ATOM 27755 O O . ASP A 1 23 ? -5.572 -4.213 4.189 1.00 0.00 ? 23 ASP A O 19 ATOM 27756 C CB . ASP A 1 23 ? -5.241 -0.875 4.954 1.00 0.00 ? 23 ASP A CB 19 ATOM 27757 C CG . ASP A 1 23 ? -4.080 -0.227 5.682 1.00 0.00 ? 23 ASP A CG 19 ATOM 27758 O OD1 . ASP A 1 23 ? -2.999 -0.090 5.073 1.00 0.00 ? 23 ASP A OD1 19 ATOM 27759 O OD2 . ASP A 1 23 ? -4.253 0.144 6.862 1.00 0.00 ? 23 ASP A OD2 19 ATOM 27760 H H . ASP A 1 23 ? -4.616 -0.401 2.543 1.00 0.00 ? 23 ASP A H 19 ATOM 27761 H HA . ASP A 1 23 ? -3.863 -2.388 4.330 1.00 0.00 ? 23 ASP A HA 19 ATOM 27762 H HB2 . ASP A 1 23 ? -5.775 -0.108 4.413 1.00 0.00 ? 23 ASP A HB2 19 ATOM 27763 H HB3 . ASP A 1 23 ? -5.899 -1.319 5.686 1.00 0.00 ? 23 ASP A HB3 19 ATOM 27764 N N . ARG A 1 24 ? -7.039 -2.677 3.445 1.00 0.00 ? 24 ARG A N 19 ATOM 27765 C CA . ARG A 1 24 ? -8.135 -3.630 3.311 1.00 0.00 ? 24 ARG A CA 19 ATOM 27766 C C . ARG A 1 24 ? -7.711 -4.832 2.472 1.00 0.00 ? 24 ARG A C 19 ATOM 27767 O O . ARG A 1 24 ? -8.200 -5.945 2.672 1.00 0.00 ? 24 ARG A O 19 ATOM 27768 C CB . ARG A 1 24 ? -9.351 -2.954 2.676 1.00 0.00 ? 24 ARG A CB 19 ATOM 27769 C CG . ARG A 1 24 ? -10.198 -2.170 3.665 1.00 0.00 ? 24 ARG A CG 19 ATOM 27770 C CD . ARG A 1 24 ? -11.263 -3.048 4.305 1.00 0.00 ? 24 ARG A CD 19 ATOM 27771 N NE . ARG A 1 24 ? -12.218 -2.268 5.087 1.00 0.00 ? 24 ARG A NE 19 ATOM 27772 C CZ . ARG A 1 24 ? -13.318 -2.781 5.627 1.00 0.00 ? 24 ARG A CZ 19 ATOM 27773 N NH1 . ARG A 1 24 ? -13.600 -4.067 5.470 1.00 0.00 ? 24 ARG A NH1 19 ATOM 27774 N NH2 . ARG A 1 24 ? -14.138 -2.007 6.326 1.00 0.00 ? 24 ARG A NH2 19 ATOM 27775 H H . ARG A 1 24 ? -7.191 -1.738 3.211 1.00 0.00 ? 24 ARG A H 19 ATOM 27776 H HA . ARG A 1 24 ? -8.400 -3.972 4.300 1.00 0.00 ? 24 ARG A HA 19 ATOM 27777 H HB2 . ARG A 1 24 ? -9.011 -2.273 1.909 1.00 0.00 ? 24 ARG A HB2 19 ATOM 27778 H HB3 . ARG A 1 24 ? -9.973 -3.711 2.223 1.00 0.00 ? 24 ARG A HB3 19 ATOM 27779 H HG2 . ARG A 1 24 ? -9.558 -1.777 4.441 1.00 0.00 ? 24 ARG A HG2 19 ATOM 27780 H HG3 . ARG A 1 24 ? -10.680 -1.356 3.146 1.00 0.00 ? 24 ARG A HG3 19 ATOM 27781 H HD2 . ARG A 1 24 ? -11.794 -3.573 3.525 1.00 0.00 ? 24 ARG A HD2 19 ATOM 27782 H HD3 . ARG A 1 24 ? -10.778 -3.763 4.953 1.00 0.00 ? 24 ARG A HD3 19 ATOM 27783 H HE . ARG A 1 24 ? -12.029 -1.316 5.216 1.00 0.00 ? 24 ARG A HE 19 ATOM 27784 H HH11 . ARG A 1 24 ? -12.983 -4.653 4.945 1.00 0.00 ? 24 ARG A HH11 19 ATOM 27785 H HH12 . ARG A 1 24 ? -14.428 -4.451 5.879 1.00 0.00 ? 24 ARG A HH12 19 ATOM 27786 H HH21 . ARG A 1 24 ? -13.929 -1.037 6.447 1.00 0.00 ? 24 ARG A HH21 19 ATOM 27787 H HH22 . ARG A 1 24 ? -14.966 -2.394 6.732 1.00 0.00 ? 24 ARG A HH22 19 ATOM 27788 N N . LEU A 1 25 ? -6.801 -4.600 1.533 1.00 0.00 ? 25 LEU A N 19 ATOM 27789 C CA . LEU A 1 25 ? -6.312 -5.663 0.662 1.00 0.00 ? 25 LEU A CA 19 ATOM 27790 C C . LEU A 1 25 ? -5.386 -6.607 1.423 1.00 0.00 ? 25 LEU A C 19 ATOM 27791 O O . LEU A 1 25 ? -5.515 -7.828 1.331 1.00 0.00 ? 25 LEU A O 19 ATOM 27792 C CB . LEU A 1 25 ? -5.576 -5.067 -0.539 1.00 0.00 ? 25 LEU A CB 19 ATOM 27793 C CG . LEU A 1 25 ? -6.451 -4.639 -1.718 1.00 0.00 ? 25 LEU A CG 19 ATOM 27794 C CD1 . LEU A 1 25 ? -5.656 -3.783 -2.691 1.00 0.00 ? 25 LEU A CD1 19 ATOM 27795 C CD2 . LEU A 1 25 ? -7.028 -5.858 -2.424 1.00 0.00 ? 25 LEU A CD2 19 ATOM 27796 H H . LEU A 1 25 ? -6.449 -3.692 1.421 1.00 0.00 ? 25 LEU A H 19 ATOM 27797 H HA . LEU A 1 25 ? -7.166 -6.222 0.310 1.00 0.00 ? 25 LEU A HA 19 ATOM 27798 H HB2 . LEU A 1 25 ? -5.034 -4.199 -0.198 1.00 0.00 ? 25 LEU A HB2 19 ATOM 27799 H HB3 . LEU A 1 25 ? -4.876 -5.809 -0.898 1.00 0.00 ? 25 LEU A HB3 19 ATOM 27800 H HG . LEU A 1 25 ? -7.276 -4.045 -1.349 1.00 0.00 ? 25 LEU A HG 19 ATOM 27801 H HD11 . LEU A 1 25 ? -4.928 -3.202 -2.146 1.00 0.00 ? 25 LEU A HD11 19 ATOM 27802 H HD12 . LEU A 1 25 ? -6.325 -3.120 -3.218 1.00 0.00 ? 25 LEU A HD12 19 ATOM 27803 H HD13 . LEU A 1 25 ? -5.149 -4.421 -3.401 1.00 0.00 ? 25 LEU A HD13 19 ATOM 27804 H HD21 . LEU A 1 25 ? -7.690 -5.535 -3.214 1.00 0.00 ? 25 LEU A HD21 19 ATOM 27805 H HD22 . LEU A 1 25 ? -7.578 -6.458 -1.715 1.00 0.00 ? 25 LEU A HD22 19 ATOM 27806 H HD23 . LEU A 1 25 ? -6.224 -6.443 -2.845 1.00 0.00 ? 25 LEU A HD23 19 ATOM 27807 N N . LEU A 1 26 ? -4.454 -6.033 2.176 1.00 0.00 ? 26 LEU A N 19 ATOM 27808 C CA . LEU A 1 26 ? -3.508 -6.823 2.956 1.00 0.00 ? 26 LEU A CA 19 ATOM 27809 C C . LEU A 1 26 ? -4.238 -7.803 3.868 1.00 0.00 ? 26 LEU A C 19 ATOM 27810 O O . LEU A 1 26 ? -3.907 -8.988 3.915 1.00 0.00 ? 26 LEU A O 19 ATOM 27811 C CB . LEU A 1 26 ? -2.611 -5.905 3.788 1.00 0.00 ? 26 LEU A CB 19 ATOM 27812 C CG . LEU A 1 26 ? -1.853 -6.569 4.938 1.00 0.00 ? 26 LEU A CG 19 ATOM 27813 C CD1 . LEU A 1 26 ? -1.068 -7.771 4.437 1.00 0.00 ? 26 LEU A CD1 19 ATOM 27814 C CD2 . LEU A 1 26 ? -0.927 -5.569 5.615 1.00 0.00 ? 26 LEU A CD2 19 ATOM 27815 H H . LEU A 1 26 ? -4.401 -5.056 2.209 1.00 0.00 ? 26 LEU A H 19 ATOM 27816 H HA . LEU A 1 26 ? -2.894 -7.382 2.265 1.00 0.00 ? 26 LEU A HA 19 ATOM 27817 H HB2 . LEU A 1 26 ? -1.883 -5.464 3.125 1.00 0.00 ? 26 LEU A HB2 19 ATOM 27818 H HB3 . LEU A 1 26 ? -3.233 -5.126 4.206 1.00 0.00 ? 26 LEU A HB3 19 ATOM 27819 H HG . LEU A 1 26 ? -2.564 -6.919 5.674 1.00 0.00 ? 26 LEU A HG 19 ATOM 27820 H HD11 . LEU A 1 26 ? -1.606 -8.240 3.627 1.00 0.00 ? 26 LEU A HD11 19 ATOM 27821 H HD12 . LEU A 1 26 ? -0.940 -8.479 5.243 1.00 0.00 ? 26 LEU A HD12 19 ATOM 27822 H HD13 . LEU A 1 26 ? -0.099 -7.447 4.086 1.00 0.00 ? 26 LEU A HD13 19 ATOM 27823 H HD21 . LEU A 1 26 ? -0.176 -6.101 6.181 1.00 0.00 ? 26 LEU A HD21 19 ATOM 27824 H HD22 . LEU A 1 26 ? -1.501 -4.940 6.280 1.00 0.00 ? 26 LEU A HD22 19 ATOM 27825 H HD23 . LEU A 1 26 ? -0.448 -4.958 4.865 1.00 0.00 ? 26 LEU A HD23 19 ATOM 27826 N N . ALA A 1 27 ? -5.234 -7.301 4.591 1.00 0.00 ? 27 ALA A N 19 ATOM 27827 C CA . ALA A 1 27 ? -6.014 -8.133 5.498 1.00 0.00 ? 27 ALA A CA 19 ATOM 27828 C C . ALA A 1 27 ? -6.639 -9.313 4.762 1.00 0.00 ? 27 ALA A C 19 ATOM 27829 O O . ALA A 1 27 ? -6.739 -10.413 5.304 1.00 0.00 ? 27 ALA A O 19 ATOM 27830 C CB . ALA A 1 27 ? -7.092 -7.303 6.180 1.00 0.00 ? 27 ALA A CB 19 ATOM 27831 H H . ALA A 1 27 ? -5.450 -6.349 4.510 1.00 0.00 ? 27 ALA A H 19 ATOM 27832 H HA . ALA A 1 27 ? -5.348 -8.510 6.261 1.00 0.00 ? 27 ALA A HA 19 ATOM 27833 H HB1 . ALA A 1 27 ? -8.063 -7.720 5.954 1.00 0.00 ? 27 ALA A HB1 19 ATOM 27834 H HB2 . ALA A 1 27 ? -6.934 -7.316 7.248 1.00 0.00 ? 27 ALA A HB2 19 ATOM 27835 H HB3 . ALA A 1 27 ? -7.044 -6.286 5.821 1.00 0.00 ? 27 ALA A HB3 19 ATOM 27836 N N . ALA A 1 28 ? -7.058 -9.076 3.523 1.00 0.00 ? 28 ALA A N 19 ATOM 27837 C CA . ALA A 1 28 ? -7.673 -10.120 2.712 1.00 0.00 ? 28 ALA A CA 19 ATOM 27838 C C . ALA A 1 28 ? -6.614 -10.978 2.027 1.00 0.00 ? 28 ALA A C 19 ATOM 27839 O O . ALA A 1 28 ? -6.898 -11.669 1.050 1.00 0.00 ? 28 ALA A O 19 ATOM 27840 C CB . ALA A 1 28 ? -8.605 -9.505 1.679 1.00 0.00 ? 28 ALA A CB 19 ATOM 27841 H H . ALA A 1 28 ? -6.951 -8.178 3.146 1.00 0.00 ? 28 ALA A H 19 ATOM 27842 H HA . ALA A 1 28 ? -8.262 -10.747 3.365 1.00 0.00 ? 28 ALA A HA 19 ATOM 27843 H HB1 . ALA A 1 28 ? -9.117 -10.292 1.143 1.00 0.00 ? 28 ALA A HB1 19 ATOM 27844 H HB2 . ALA A 1 28 ? -9.330 -8.878 2.176 1.00 0.00 ? 28 ALA A HB2 19 ATOM 27845 H HB3 . ALA A 1 28 ? -8.031 -8.911 0.984 1.00 0.00 ? 28 ALA A HB3 19 ATOM 27846 N N . GLY A 1 29 ? -5.391 -10.927 2.547 1.00 0.00 ? 29 GLY A N 19 ATOM 27847 C CA . GLY A 1 29 ? -4.308 -11.703 1.973 1.00 0.00 ? 29 GLY A CA 19 ATOM 27848 C C . GLY A 1 29 ? -3.773 -11.093 0.692 1.00 0.00 ? 29 GLY A C 19 ATOM 27849 O O . GLY A 1 29 ? -2.744 -11.525 0.172 1.00 0.00 ? 29 GLY A O 19 ATOM 27850 H H . GLY A 1 29 ? -5.223 -10.357 3.327 1.00 0.00 ? 29 GLY A H 19 ATOM 27851 H HA2 . GLY A 1 29 ? -3.505 -11.768 2.691 1.00 0.00 ? 29 GLY A HA2 19 ATOM 27852 H HA3 . GLY A 1 29 ? -4.668 -12.699 1.760 1.00 0.00 ? 29 GLY A HA3 19 ATOM 27853 N N . LYS A 1 30 ? -4.474 -10.087 0.180 1.00 0.00 ? 30 LYS A N 19 ATOM 27854 C CA . LYS A 1 30 ? -4.065 -9.416 -1.048 1.00 0.00 ? 30 LYS A CA 19 ATOM 27855 C C . LYS A 1 30 ? -2.827 -8.556 -0.812 1.00 0.00 ? 30 LYS A C 19 ATOM 27856 O O . LYS A 1 30 ? -2.935 -7.373 -0.486 1.00 0.00 ? 30 LYS A O 19 ATOM 27857 C CB . LYS A 1 30 ? -5.206 -8.550 -1.585 1.00 0.00 ? 30 LYS A CB 19 ATOM 27858 C CG . LYS A 1 30 ? -6.508 -9.309 -1.774 1.00 0.00 ? 30 LYS A CG 19 ATOM 27859 C CD . LYS A 1 30 ? -6.585 -9.951 -3.149 1.00 0.00 ? 30 LYS A CD 19 ATOM 27860 C CE . LYS A 1 30 ? -8.020 -10.284 -3.529 1.00 0.00 ? 30 LYS A CE 19 ATOM 27861 N NZ . LYS A 1 30 ? -8.410 -11.648 -3.078 1.00 0.00 ? 30 LYS A NZ 19 ATOM 27862 H H . LYS A 1 30 ? -5.286 -9.788 0.641 1.00 0.00 ? 30 LYS A H 19 ATOM 27863 H HA . LYS A 1 30 ? -3.826 -10.175 -1.777 1.00 0.00 ? 30 LYS A HA 19 ATOM 27864 H HB2 . LYS A 1 30 ? -5.383 -7.740 -0.893 1.00 0.00 ? 30 LYS A HB2 19 ATOM 27865 H HB3 . LYS A 1 30 ? -4.912 -8.139 -2.540 1.00 0.00 ? 30 LYS A HB3 19 ATOM 27866 H HG2 . LYS A 1 30 ? -6.576 -10.083 -1.023 1.00 0.00 ? 30 LYS A HG2 19 ATOM 27867 H HG3 . LYS A 1 30 ? -7.335 -8.622 -1.661 1.00 0.00 ? 30 LYS A HG3 19 ATOM 27868 H HD2 . LYS A 1 30 ? -6.181 -9.266 -3.880 1.00 0.00 ? 30 LYS A HD2 19 ATOM 27869 H HD3 . LYS A 1 30 ? -6.002 -10.861 -3.145 1.00 0.00 ? 30 LYS A HD3 19 ATOM 27870 H HE2 . LYS A 1 30 ? -8.677 -9.561 -3.072 1.00 0.00 ? 30 LYS A HE2 19 ATOM 27871 H HE3 . LYS A 1 30 ? -8.115 -10.229 -4.604 1.00 0.00 ? 30 LYS A HE3 19 ATOM 27872 H HZ1 . LYS A 1 30 ? -9.403 -11.836 -3.326 1.00 0.00 ? 30 LYS A HZ1 19 ATOM 27873 H HZ2 . LYS A 1 30 ? -8.303 -11.728 -2.047 1.00 0.00 ? 30 LYS A HZ2 19 ATOM 27874 H HZ3 . LYS A 1 30 ? -7.808 -12.362 -3.535 1.00 0.00 ? 30 LYS A HZ3 19 ATOM 27875 N N . TYR A 1 31 ? -1.654 -9.156 -0.979 1.00 0.00 ? 31 TYR A N 19 ATOM 27876 C CA . TYR A 1 31 ? -0.397 -8.444 -0.783 1.00 0.00 ? 31 TYR A CA 19 ATOM 27877 C C . TYR A 1 31 ? 0.039 -7.745 -2.067 1.00 0.00 ? 31 TYR A C 19 ATOM 27878 O O . TYR A 1 31 ? 0.103 -6.517 -2.126 1.00 0.00 ? 31 TYR A O 19 ATOM 27879 C CB . TYR A 1 31 ? 0.694 -9.411 -0.320 1.00 0.00 ? 31 TYR A CB 19 ATOM 27880 C CG . TYR A 1 31 ? 0.272 -10.292 0.835 1.00 0.00 ? 31 TYR A CG 19 ATOM 27881 C CD1 . TYR A 1 31 ? 0.207 -9.789 2.129 1.00 0.00 ? 31 TYR A CD1 19 ATOM 27882 C CD2 . TYR A 1 31 ? -0.060 -11.625 0.633 1.00 0.00 ? 31 TYR A CD2 19 ATOM 27883 C CE1 . TYR A 1 31 ? -0.177 -10.590 3.187 1.00 0.00 ? 31 TYR A CE1 19 ATOM 27884 C CE2 . TYR A 1 31 ? -0.446 -12.433 1.685 1.00 0.00 ? 31 TYR A CE2 19 ATOM 27885 C CZ . TYR A 1 31 ? -0.503 -11.911 2.960 1.00 0.00 ? 31 TYR A CZ 19 ATOM 27886 O OH . TYR A 1 31 ? -0.886 -12.712 4.011 1.00 0.00 ? 31 TYR A OH 19 ATOM 27887 H H . TYR A 1 31 ? -1.633 -10.100 -1.239 1.00 0.00 ? 31 TYR A H 19 ATOM 27888 H HA . TYR A 1 31 ? -0.553 -7.700 -0.016 1.00 0.00 ? 31 TYR A HA 19 ATOM 27889 H HB2 . TYR A 1 31 ? 0.969 -10.053 -1.142 1.00 0.00 ? 31 TYR A HB2 19 ATOM 27890 H HB3 . TYR A 1 31 ? 1.559 -8.845 -0.007 1.00 0.00 ? 31 TYR A HB3 19 ATOM 27891 H HD1 . TYR A 1 31 ? 0.463 -8.754 2.304 1.00 0.00 ? 31 TYR A HD1 19 ATOM 27892 H HD2 . TYR A 1 31 ? -0.014 -12.031 -0.368 1.00 0.00 ? 31 TYR A HD2 19 ATOM 27893 H HE1 . TYR A 1 31 ? -0.222 -10.182 4.186 1.00 0.00 ? 31 TYR A HE1 19 ATOM 27894 H HE2 . TYR A 1 31 ? -0.701 -13.467 1.507 1.00 0.00 ? 31 TYR A HE2 19 ATOM 27895 H HH . TYR A 1 31 ? -1.786 -12.495 4.267 1.00 0.00 ? 31 TYR A HH 19 ATOM 27896 N N . GLU A 1 32 ? 0.338 -8.536 -3.092 1.00 0.00 ? 32 GLU A N 19 ATOM 27897 C CA . GLU A 1 32 ? 0.769 -7.994 -4.375 1.00 0.00 ? 32 GLU A CA 19 ATOM 27898 C C . GLU A 1 32 ? -0.181 -6.897 -4.848 1.00 0.00 ? 32 GLU A C 19 ATOM 27899 O O . GLU A 1 32 ? 0.236 -5.938 -5.496 1.00 0.00 ? 32 GLU A O 19 ATOM 27900 C CB . GLU A 1 32 ? 0.845 -9.105 -5.424 1.00 0.00 ? 32 GLU A CB 19 ATOM 27901 C CG . GLU A 1 32 ? 1.619 -8.712 -6.671 1.00 0.00 ? 32 GLU A CG 19 ATOM 27902 C CD . GLU A 1 32 ? 1.162 -9.469 -7.903 1.00 0.00 ? 32 GLU A CD 19 ATOM 27903 O OE1 . GLU A 1 32 ? 0.852 -10.672 -7.781 1.00 0.00 ? 32 GLU A OE1 19 ATOM 27904 O OE2 . GLU A 1 32 ? 1.115 -8.856 -8.991 1.00 0.00 ? 32 GLU A OE2 19 ATOM 27905 H H . GLU A 1 32 ? 0.268 -9.508 -2.982 1.00 0.00 ? 32 GLU A H 19 ATOM 27906 H HA . GLU A 1 32 ? 1.752 -7.569 -4.242 1.00 0.00 ? 32 GLU A HA 19 ATOM 27907 H HB2 . GLU A 1 32 ? 1.325 -9.967 -4.984 1.00 0.00 ? 32 GLU A HB2 19 ATOM 27908 H HB3 . GLU A 1 32 ? -0.158 -9.374 -5.719 1.00 0.00 ? 32 GLU A HB3 19 ATOM 27909 H HG2 . GLU A 1 32 ? 1.484 -7.656 -6.846 1.00 0.00 ? 32 GLU A HG2 19 ATOM 27910 H HG3 . GLU A 1 32 ? 2.667 -8.918 -6.508 1.00 0.00 ? 32 GLU A HG3 19 ATOM 27911 N N . GLU A 1 33 ? -1.461 -7.049 -4.520 1.00 0.00 ? 33 GLU A N 19 ATOM 27912 C CA . GLU A 1 33 ? -2.470 -6.072 -4.913 1.00 0.00 ? 33 GLU A CA 19 ATOM 27913 C C . GLU A 1 33 ? -2.304 -4.773 -4.129 1.00 0.00 ? 33 GLU A C 19 ATOM 27914 O O . GLU A 1 33 ? -2.375 -3.682 -4.694 1.00 0.00 ? 33 GLU A O 19 ATOM 27915 C CB . GLU A 1 33 ? -3.874 -6.639 -4.690 1.00 0.00 ? 33 GLU A CB 19 ATOM 27916 C CG . GLU A 1 33 ? -4.076 -8.018 -5.295 1.00 0.00 ? 33 GLU A CG 19 ATOM 27917 C CD . GLU A 1 33 ? -3.759 -9.135 -4.320 1.00 0.00 ? 33 GLU A CD 19 ATOM 27918 O OE1 . GLU A 1 33 ? -3.010 -8.882 -3.353 1.00 0.00 ? 33 GLU A OE1 19 ATOM 27919 O OE2 . GLU A 1 33 ? -4.258 -10.261 -4.524 1.00 0.00 ? 33 GLU A OE2 19 ATOM 27920 H H . GLU A 1 33 ? -1.732 -7.835 -4.002 1.00 0.00 ? 33 GLU A H 19 ATOM 27921 H HA . GLU A 1 33 ? -2.339 -5.864 -5.964 1.00 0.00 ? 33 GLU A HA 19 ATOM 27922 H HB2 . GLU A 1 33 ? -4.059 -6.703 -3.628 1.00 0.00 ? 33 GLU A HB2 19 ATOM 27923 H HB3 . GLU A 1 33 ? -4.594 -5.966 -5.132 1.00 0.00 ? 33 GLU A HB3 19 ATOM 27924 H HG2 . GLU A 1 33 ? -5.106 -8.114 -5.605 1.00 0.00 ? 33 GLU A HG2 19 ATOM 27925 H HG3 . GLU A 1 33 ? -3.432 -8.117 -6.156 1.00 0.00 ? 33 GLU A HG3 19 ATOM 27926 N N . ALA A 1 34 ? -2.083 -4.900 -2.825 1.00 0.00 ? 34 ALA A N 19 ATOM 27927 C CA . ALA A 1 34 ? -1.906 -3.737 -1.964 1.00 0.00 ? 34 ALA A CA 19 ATOM 27928 C C . ALA A 1 34 ? -0.579 -3.040 -2.249 1.00 0.00 ? 34 ALA A C 19 ATOM 27929 O O . ALA A 1 34 ? -0.478 -1.817 -2.154 1.00 0.00 ? 34 ALA A O 19 ATOM 27930 C CB . ALA A 1 34 ? -1.985 -4.147 -0.501 1.00 0.00 ? 34 ALA A CB 19 ATOM 27931 H H . ALA A 1 34 ? -2.037 -5.796 -2.433 1.00 0.00 ? 34 ALA A H 19 ATOM 27932 H HA . ALA A 1 34 ? -2.713 -3.047 -2.164 1.00 0.00 ? 34 ALA A HA 19 ATOM 27933 H HB1 . ALA A 1 34 ? -2.994 -4.456 -0.269 1.00 0.00 ? 34 ALA A HB1 19 ATOM 27934 H HB2 . ALA A 1 34 ? -1.306 -4.966 -0.319 1.00 0.00 ? 34 ALA A HB2 19 ATOM 27935 H HB3 . ALA A 1 34 ? -1.714 -3.308 0.123 1.00 0.00 ? 34 ALA A HB3 19 ATOM 27936 N N . ILE A 1 35 ? 0.434 -3.826 -2.596 1.00 0.00 ? 35 ILE A N 19 ATOM 27937 C CA . ILE A 1 35 ? 1.754 -3.284 -2.895 1.00 0.00 ? 35 ILE A CA 19 ATOM 27938 C C . ILE A 1 35 ? 1.672 -2.193 -3.957 1.00 0.00 ? 35 ILE A C 19 ATOM 27939 O O . ILE A 1 35 ? 2.016 -1.039 -3.704 1.00 0.00 ? 35 ILE A O 19 ATOM 27940 C CB . ILE A 1 35 ? 2.718 -4.384 -3.377 1.00 0.00 ? 35 ILE A CB 19 ATOM 27941 C CG1 . ILE A 1 35 ? 3.169 -5.249 -2.198 1.00 0.00 ? 35 ILE A CG1 19 ATOM 27942 C CG2 . ILE A 1 35 ? 3.919 -3.765 -4.076 1.00 0.00 ? 35 ILE A CG2 19 ATOM 27943 C CD1 . ILE A 1 35 ? 3.791 -6.563 -2.617 1.00 0.00 ? 35 ILE A CD1 19 ATOM 27944 H H . ILE A 1 35 ? 0.291 -4.794 -2.654 1.00 0.00 ? 35 ILE A H 19 ATOM 27945 H HA . ILE A 1 35 ? 2.151 -2.857 -1.985 1.00 0.00 ? 35 ILE A HA 19 ATOM 27946 H HB . ILE A 1 35 ? 2.196 -5.002 -4.090 1.00 0.00 ? 35 ILE A HB 19 ATOM 27947 H HG12 . ILE A 1 35 ? 3.900 -4.707 -1.620 1.00 0.00 ? 35 ILE A HG12 19 ATOM 27948 H HG13 . ILE A 1 35 ? 2.314 -5.469 -1.575 1.00 0.00 ? 35 ILE A HG13 19 ATOM 27949 H HG21 . ILE A 1 35 ? 3.598 -3.292 -4.993 1.00 0.00 ? 35 ILE A HG21 19 ATOM 27950 H HG22 . ILE A 1 35 ? 4.371 -3.027 -3.431 1.00 0.00 ? 35 ILE A HG22 19 ATOM 27951 H HG23 . ILE A 1 35 ? 4.641 -4.535 -4.303 1.00 0.00 ? 35 ILE A HG23 19 ATOM 27952 H HD11 . ILE A 1 35 ? 4.839 -6.565 -2.358 1.00 0.00 ? 35 ILE A HD11 19 ATOM 27953 H HD12 . ILE A 1 35 ? 3.292 -7.376 -2.110 1.00 0.00 ? 35 ILE A HD12 19 ATOM 27954 H HD13 . ILE A 1 35 ? 3.685 -6.687 -3.685 1.00 0.00 ? 35 ILE A HD13 19 ATOM 27955 N N . SER A 1 36 ? 1.212 -2.567 -5.147 1.00 0.00 ? 36 SER A N 19 ATOM 27956 C CA . SER A 1 36 ? 1.087 -1.621 -6.250 1.00 0.00 ? 36 SER A CA 19 ATOM 27957 C C . SER A 1 36 ? 0.192 -0.449 -5.861 1.00 0.00 ? 36 SER A C 19 ATOM 27958 O O . SER A 1 36 ? 0.495 0.706 -6.164 1.00 0.00 ? 36 SER A O 19 ATOM 27959 C CB . SER A 1 36 ? 0.522 -2.320 -7.488 1.00 0.00 ? 36 SER A CB 19 ATOM 27960 O OG . SER A 1 36 ? 0.962 -3.665 -7.559 1.00 0.00 ? 36 SER A OG 19 ATOM 27961 H H . SER A 1 36 ? 0.954 -3.502 -5.287 1.00 0.00 ? 36 SER A H 19 ATOM 27962 H HA . SER A 1 36 ? 2.073 -1.245 -6.478 1.00 0.00 ? 36 SER A HA 19 ATOM 27963 H HB2 . SER A 1 36 ? -0.557 -2.309 -7.443 1.00 0.00 ? 36 SER A HB2 19 ATOM 27964 H HB3 . SER A 1 36 ? 0.851 -1.798 -8.374 1.00 0.00 ? 36 SER A HB3 19 ATOM 27965 H HG . SER A 1 36 ? 0.304 -4.194 -8.018 1.00 0.00 ? 36 SER A HG 19 ATOM 27966 N N . CYS A 1 37 ? -0.912 -0.754 -5.187 1.00 0.00 ? 37 CYS A N 19 ATOM 27967 C CA . CYS A 1 37 ? -1.853 0.274 -4.756 1.00 0.00 ? 37 CYS A CA 19 ATOM 27968 C C . CYS A 1 37 ? -1.134 1.389 -4.004 1.00 0.00 ? 37 CYS A C 19 ATOM 27969 O O . CYS A 1 37 ? -1.646 2.502 -3.883 1.00 0.00 ? 37 CYS A O 19 ATOM 27970 C CB . CYS A 1 37 ? -2.938 -0.338 -3.869 1.00 0.00 ? 37 CYS A CB 19 ATOM 27971 S SG . CYS A 1 37 ? -4.195 0.840 -3.321 1.00 0.00 ? 37 CYS A SG 19 ATOM 27972 H H . CYS A 1 37 ? -1.099 -1.692 -4.974 1.00 0.00 ? 37 CYS A H 19 ATOM 27973 H HA . CYS A 1 37 ? -2.314 0.691 -5.638 1.00 0.00 ? 37 CYS A HA 19 ATOM 27974 H HB2 . CYS A 1 37 ? -3.440 -1.122 -4.417 1.00 0.00 ? 37 CYS A HB2 19 ATOM 27975 H HB3 . CYS A 1 37 ? -2.477 -0.762 -2.990 1.00 0.00 ? 37 CYS A HB3 19 ATOM 27976 H HG . CYS A 1 37 ? -4.076 1.936 -4.055 1.00 0.00 ? 37 CYS A HG 19 ATOM 27977 N N . HIS A 1 38 ? 0.057 1.082 -3.497 1.00 0.00 ? 38 HIS A N 19 ATOM 27978 C CA . HIS A 1 38 ? 0.846 2.058 -2.755 1.00 0.00 ? 38 HIS A CA 19 ATOM 27979 C C . HIS A 1 38 ? 1.764 2.839 -3.691 1.00 0.00 ? 38 HIS A C 19 ATOM 27980 O O . HIS A 1 38 ? 1.769 4.071 -3.686 1.00 0.00 ? 38 HIS A O 19 ATOM 27981 C CB . HIS A 1 38 ? 1.674 1.361 -1.675 1.00 0.00 ? 38 HIS A CB 19 ATOM 27982 C CG . HIS A 1 38 ? 0.967 1.244 -0.360 1.00 0.00 ? 38 HIS A CG 19 ATOM 27983 N ND1 . HIS A 1 38 ? 0.133 2.224 0.135 1.00 0.00 ? 38 HIS A ND1 19 ATOM 27984 C CD2 . HIS A 1 38 ? 0.972 0.254 0.563 1.00 0.00 ? 38 HIS A CD2 19 ATOM 27985 C CE1 . HIS A 1 38 ? -0.344 1.843 1.307 1.00 0.00 ? 38 HIS A CE1 19 ATOM 27986 N NE2 . HIS A 1 38 ? 0.150 0.650 1.589 1.00 0.00 ? 38 HIS A NE2 19 ATOM 27987 H H . HIS A 1 38 ? 0.412 0.178 -3.626 1.00 0.00 ? 38 HIS A H 19 ATOM 27988 H HA . HIS A 1 38 ? 0.163 2.748 -2.283 1.00 0.00 ? 38 HIS A HA 19 ATOM 27989 H HB2 . HIS A 1 38 ? 1.921 0.364 -2.008 1.00 0.00 ? 38 HIS A HB2 19 ATOM 27990 H HB3 . HIS A 1 38 ? 2.586 1.918 -1.514 1.00 0.00 ? 38 HIS A HB3 19 ATOM 27991 H HD1 . HIS A 1 38 ? -0.077 3.073 -0.305 1.00 0.00 ? 38 HIS A HD1 19 ATOM 27992 H HD2 . HIS A 1 38 ? 1.520 -0.676 0.504 1.00 0.00 ? 38 HIS A HD2 19 ATOM 27993 H HE1 . HIS A 1 38 ? -1.021 2.408 1.928 1.00 0.00 ? 38 HIS A HE1 19 ATOM 27994 H HE2 . HIS A 1 38 ? 0.026 0.174 2.436 1.00 0.00 ? 38 HIS A HE2 19 ATOM 27995 N N . ARG A 1 39 ? 2.539 2.116 -4.492 1.00 0.00 ? 39 ARG A N 19 ATOM 27996 C CA . ARG A 1 39 ? 3.462 2.741 -5.431 1.00 0.00 ? 39 ARG A CA 19 ATOM 27997 C C . ARG A 1 39 ? 2.773 3.860 -6.207 1.00 0.00 ? 39 ARG A C 19 ATOM 27998 O O . ARG A 1 39 ? 3.396 4.862 -6.558 1.00 0.00 ? 39 ARG A O 19 ATOM 27999 C CB . ARG A 1 39 ? 4.018 1.699 -6.404 1.00 0.00 ? 39 ARG A CB 19 ATOM 28000 C CG . ARG A 1 39 ? 4.728 0.544 -5.717 1.00 0.00 ? 39 ARG A CG 19 ATOM 28001 C CD . ARG A 1 39 ? 5.209 -0.491 -6.723 1.00 0.00 ? 39 ARG A CD 19 ATOM 28002 N NE . ARG A 1 39 ? 4.197 -0.782 -7.735 1.00 0.00 ? 39 ARG A NE 19 ATOM 28003 C CZ . ARG A 1 39 ? 4.052 -0.080 -8.853 1.00 0.00 ? 39 ARG A CZ 19 ATOM 28004 N NH1 . ARG A 1 39 ? 4.850 0.949 -9.101 1.00 0.00 ? 39 ARG A NH1 19 ATOM 28005 N NH2 . ARG A 1 39 ? 3.108 -0.407 -9.726 1.00 0.00 ? 39 ARG A NH2 19 ATOM 28006 H H . ARG A 1 39 ? 2.490 1.138 -4.449 1.00 0.00 ? 39 ARG A H 19 ATOM 28007 H HA . ARG A 1 39 ? 4.278 3.162 -4.864 1.00 0.00 ? 39 ARG A HA 19 ATOM 28008 H HB2 . ARG A 1 39 ? 3.202 1.296 -6.986 1.00 0.00 ? 39 ARG A HB2 19 ATOM 28009 H HB3 . ARG A 1 39 ? 4.719 2.181 -7.067 1.00 0.00 ? 39 ARG A HB3 19 ATOM 28010 H HG2 . ARG A 1 39 ? 5.581 0.927 -5.177 1.00 0.00 ? 39 ARG A HG2 19 ATOM 28011 H HG3 . ARG A 1 39 ? 4.045 0.072 -5.027 1.00 0.00 ? 39 ARG A HG3 19 ATOM 28012 H HD2 . ARG A 1 39 ? 6.095 -0.113 -7.212 1.00 0.00 ? 39 ARG A HD2 19 ATOM 28013 H HD3 . ARG A 1 39 ? 5.450 -1.401 -6.195 1.00 0.00 ? 39 ARG A HD3 19 ATOM 28014 H HE . ARG A 1 39 ? 3.597 -1.539 -7.571 1.00 0.00 ? 39 ARG A HE 19 ATOM 28015 H HH11 . ARG A 1 39 ? 5.564 1.197 -8.446 1.00 0.00 ? 39 ARG A HH11 19 ATOM 28016 H HH12 . ARG A 1 39 ? 4.740 1.476 -9.945 1.00 0.00 ? 39 ARG A HH12 19 ATOM 28017 H HH21 . ARG A 1 39 ? 2.505 -1.183 -9.542 1.00 0.00 ? 39 ARG A HH21 19 ATOM 28018 H HH22 . ARG A 1 39 ? 3.000 0.122 -10.566 1.00 0.00 ? 39 ARG A HH22 19 ATOM 28019 N N . LYS A 1 40 ? 1.483 3.681 -6.473 1.00 0.00 ? 40 LYS A N 19 ATOM 28020 C CA . LYS A 1 40 ? 0.708 4.674 -7.206 1.00 0.00 ? 40 LYS A CA 19 ATOM 28021 C C . LYS A 1 40 ? 0.507 5.934 -6.370 1.00 0.00 ? 40 LYS A C 19 ATOM 28022 O O . LYS A 1 40 ? 0.775 7.044 -6.828 1.00 0.00 ? 40 LYS A O 19 ATOM 28023 C CB . LYS A 1 40 ? -0.650 4.095 -7.609 1.00 0.00 ? 40 LYS A CB 19 ATOM 28024 C CG . LYS A 1 40 ? -0.574 3.116 -8.768 1.00 0.00 ? 40 LYS A CG 19 ATOM 28025 C CD . LYS A 1 40 ? -1.736 2.137 -8.748 1.00 0.00 ? 40 LYS A CD 19 ATOM 28026 C CE . LYS A 1 40 ? -1.450 0.915 -9.607 1.00 0.00 ? 40 LYS A CE 19 ATOM 28027 N NZ . LYS A 1 40 ? -0.618 -0.087 -8.886 1.00 0.00 ? 40 LYS A NZ 19 ATOM 28028 H H . LYS A 1 40 ? 1.042 2.861 -6.167 1.00 0.00 ? 40 LYS A H 19 ATOM 28029 H HA . LYS A 1 40 ? 1.259 4.933 -8.098 1.00 0.00 ? 40 LYS A HA 19 ATOM 28030 H HB2 . LYS A 1 40 ? -1.076 3.583 -6.760 1.00 0.00 ? 40 LYS A HB2 19 ATOM 28031 H HB3 . LYS A 1 40 ? -1.304 4.907 -7.894 1.00 0.00 ? 40 LYS A HB3 19 ATOM 28032 H HG2 . LYS A 1 40 ? -0.598 3.667 -9.696 1.00 0.00 ? 40 LYS A HG2 19 ATOM 28033 H HG3 . LYS A 1 40 ? 0.352 2.563 -8.699 1.00 0.00 ? 40 LYS A HG3 19 ATOM 28034 H HD2 . LYS A 1 40 ? -1.908 1.816 -7.732 1.00 0.00 ? 40 LYS A HD2 19 ATOM 28035 H HD3 . LYS A 1 40 ? -2.619 2.633 -9.126 1.00 0.00 ? 40 LYS A HD3 19 ATOM 28036 H HE2 . LYS A 1 40 ? -2.388 0.458 -9.884 1.00 0.00 ? 40 LYS A HE2 19 ATOM 28037 H HE3 . LYS A 1 40 ? -0.927 1.231 -10.497 1.00 0.00 ? 40 LYS A HE3 19 ATOM 28038 H HZ1 . LYS A 1 40 ? -1.219 -0.850 -8.515 1.00 0.00 ? 40 LYS A HZ1 19 ATOM 28039 H HZ2 . LYS A 1 40 ? -0.122 0.365 -8.091 1.00 0.00 ? 40 LYS A HZ2 19 ATOM 28040 H HZ3 . LYS A 1 40 ? 0.087 -0.498 -9.531 1.00 0.00 ? 40 LYS A HZ3 19 ATOM 28041 N N . ALA A 1 41 ? 0.035 5.754 -5.141 1.00 0.00 ? 41 ALA A N 19 ATOM 28042 C CA . ALA A 1 41 ? -0.198 6.875 -4.240 1.00 0.00 ? 41 ALA A CA 19 ATOM 28043 C C . ALA A 1 41 ? 1.084 7.667 -4.006 1.00 0.00 ? 41 ALA A C 19 ATOM 28044 O O . ALA A 1 41 ? 1.100 8.893 -4.124 1.00 0.00 ? 41 ALA A O 19 ATOM 28045 C CB . ALA A 1 41 ? -0.764 6.381 -2.917 1.00 0.00 ? 41 ALA A CB 19 ATOM 28046 H H . ALA A 1 41 ? -0.160 4.844 -4.832 1.00 0.00 ? 41 ALA A H 19 ATOM 28047 H HA . ALA A 1 41 ? -0.932 7.524 -4.697 1.00 0.00 ? 41 ALA A HA 19 ATOM 28048 H HB1 . ALA A 1 41 ? -0.615 5.314 -2.839 1.00 0.00 ? 41 ALA A HB1 19 ATOM 28049 H HB2 . ALA A 1 41 ? -0.258 6.876 -2.102 1.00 0.00 ? 41 ALA A HB2 19 ATOM 28050 H HB3 . ALA A 1 41 ? -1.820 6.602 -2.872 1.00 0.00 ? 41 ALA A HB3 19 ATOM 28051 N N . THR A 1 42 ? 2.159 6.959 -3.673 1.00 0.00 ? 42 THR A N 19 ATOM 28052 C CA . THR A 1 42 ? 3.445 7.596 -3.421 1.00 0.00 ? 42 THR A CA 19 ATOM 28053 C C . THR A 1 42 ? 3.852 8.493 -4.584 1.00 0.00 ? 42 THR A C 19 ATOM 28054 O O . THR A 1 42 ? 4.323 9.614 -4.383 1.00 0.00 ? 42 THR A O 19 ATOM 28055 C CB . THR A 1 42 ? 4.552 6.552 -3.182 1.00 0.00 ? 42 THR A CB 19 ATOM 28056 O OG1 . THR A 1 42 ? 4.500 5.542 -4.196 1.00 0.00 ? 42 THR A OG1 19 ATOM 28057 C CG2 . THR A 1 42 ? 4.402 5.909 -1.811 1.00 0.00 ? 42 THR A CG2 19 ATOM 28058 H H . THR A 1 42 ? 2.083 5.986 -3.595 1.00 0.00 ? 42 THR A H 19 ATOM 28059 H HA . THR A 1 42 ? 3.350 8.199 -2.530 1.00 0.00 ? 42 THR A HA 19 ATOM 28060 H HB . THR A 1 42 ? 5.511 7.048 -3.227 1.00 0.00 ? 42 THR A HB 19 ATOM 28061 H HG1 . THR A 1 42 ? 5.008 5.828 -4.959 1.00 0.00 ? 42 THR A HG1 19 ATOM 28062 H HG21 . THR A 1 42 ? 5.237 5.248 -1.630 1.00 0.00 ? 42 THR A HG21 19 ATOM 28063 H HG22 . THR A 1 42 ? 3.482 5.345 -1.776 1.00 0.00 ? 42 THR A HG22 19 ATOM 28064 H HG23 . THR A 1 42 ? 4.382 6.678 -1.054 1.00 0.00 ? 42 THR A HG23 19 ATOM 28065 N N . THR A 1 43 ? 3.668 7.995 -5.803 1.00 0.00 ? 43 THR A N 19 ATOM 28066 C CA . THR A 1 43 ? 4.016 8.751 -6.999 1.00 0.00 ? 43 THR A CA 19 ATOM 28067 C C . THR A 1 43 ? 3.288 10.090 -7.034 1.00 0.00 ? 43 THR A C 19 ATOM 28068 O O . THR A 1 43 ? 3.908 11.141 -7.199 1.00 0.00 ? 43 THR A O 19 ATOM 28069 C CB . THR A 1 43 ? 3.682 7.963 -8.279 1.00 0.00 ? 43 THR A CB 19 ATOM 28070 O OG1 . THR A 1 43 ? 4.274 6.661 -8.222 1.00 0.00 ? 43 THR A OG1 19 ATOM 28071 C CG2 . THR A 1 43 ? 4.181 8.699 -9.514 1.00 0.00 ? 43 THR A CG2 19 ATOM 28072 H H . THR A 1 43 ? 3.289 7.096 -5.898 1.00 0.00 ? 43 THR A H 19 ATOM 28073 H HA . THR A 1 43 ? 5.081 8.932 -6.981 1.00 0.00 ? 43 THR A HA 19 ATOM 28074 H HB . THR A 1 43 ? 2.609 7.860 -8.350 1.00 0.00 ? 43 THR A HB 19 ATOM 28075 H HG1 . THR A 1 43 ? 3.583 5.997 -8.171 1.00 0.00 ? 43 THR A HG1 19 ATOM 28076 H HG21 . THR A 1 43 ? 5.083 8.227 -9.874 1.00 0.00 ? 43 THR A HG21 19 ATOM 28077 H HG22 . THR A 1 43 ? 4.389 9.728 -9.260 1.00 0.00 ? 43 THR A HG22 19 ATOM 28078 H HG23 . THR A 1 43 ? 3.425 8.664 -10.283 1.00 0.00 ? 43 THR A HG23 19 ATOM 28079 N N . TYR A 1 44 ? 1.969 10.045 -6.878 1.00 0.00 ? 44 TYR A N 19 ATOM 28080 C CA . TYR A 1 44 ? 1.156 11.254 -6.895 1.00 0.00 ? 44 TYR A CA 19 ATOM 28081 C C . TYR A 1 44 ? 1.665 12.267 -5.873 1.00 0.00 ? 44 TYR A C 19 ATOM 28082 O O . TYR A 1 44 ? 1.829 13.448 -6.180 1.00 0.00 ? 44 TYR A O 19 ATOM 28083 C CB . TYR A 1 44 ? -0.307 10.914 -6.606 1.00 0.00 ? 44 TYR A CB 19 ATOM 28084 C CG . TYR A 1 44 ? -1.205 12.128 -6.516 1.00 0.00 ? 44 TYR A CG 19 ATOM 28085 C CD1 . TYR A 1 44 ? -1.007 13.226 -7.345 1.00 0.00 ? 44 TYR A CD1 19 ATOM 28086 C CD2 . TYR A 1 44 ? -2.249 12.178 -5.601 1.00 0.00 ? 44 TYR A CD2 19 ATOM 28087 C CE1 . TYR A 1 44 ? -1.824 14.337 -7.265 1.00 0.00 ? 44 TYR A CE1 19 ATOM 28088 C CE2 . TYR A 1 44 ? -3.072 13.284 -5.516 1.00 0.00 ? 44 TYR A CE2 19 ATOM 28089 C CZ . TYR A 1 44 ? -2.855 14.361 -6.350 1.00 0.00 ? 44 TYR A CZ 19 ATOM 28090 O OH . TYR A 1 44 ? -3.671 15.466 -6.267 1.00 0.00 ? 44 TYR A OH 19 ATOM 28091 H H . TYR A 1 44 ? 1.532 9.177 -6.751 1.00 0.00 ? 44 TYR A H 19 ATOM 28092 H HA . TYR A 1 44 ? 1.227 11.689 -7.881 1.00 0.00 ? 44 TYR A HA 19 ATOM 28093 H HB2 . TYR A 1 44 ? -0.685 10.282 -7.395 1.00 0.00 ? 44 TYR A HB2 19 ATOM 28094 H HB3 . TYR A 1 44 ? -0.368 10.385 -5.667 1.00 0.00 ? 44 TYR A HB3 19 ATOM 28095 H HD1 . TYR A 1 44 ? -0.198 13.204 -8.061 1.00 0.00 ? 44 TYR A HD1 19 ATOM 28096 H HD2 . TYR A 1 44 ? -2.416 11.332 -4.949 1.00 0.00 ? 44 TYR A HD2 19 ATOM 28097 H HE1 . TYR A 1 44 ? -1.654 15.181 -7.918 1.00 0.00 ? 44 TYR A HE1 19 ATOM 28098 H HE2 . TYR A 1 44 ? -3.879 13.303 -4.799 1.00 0.00 ? 44 TYR A HE2 19 ATOM 28099 H HH . TYR A 1 44 ? -4.488 15.297 -6.743 1.00 0.00 ? 44 TYR A HH 19 ATOM 28100 N N . LEU A 1 45 ? 1.914 11.795 -4.656 1.00 0.00 ? 45 LEU A N 19 ATOM 28101 C CA . LEU A 1 45 ? 2.406 12.658 -3.587 1.00 0.00 ? 45 LEU A CA 19 ATOM 28102 C C . LEU A 1 45 ? 3.765 13.249 -3.947 1.00 0.00 ? 45 LEU A C 19 ATOM 28103 O O . LEU A 1 45 ? 3.954 14.465 -3.907 1.00 0.00 ? 45 LEU A O 19 ATOM 28104 C CB . LEU A 1 45 ? 2.508 11.873 -2.278 1.00 0.00 ? 45 LEU A CB 19 ATOM 28105 C CG . LEU A 1 45 ? 1.184 11.422 -1.661 1.00 0.00 ? 45 LEU A CG 19 ATOM 28106 C CD1 . LEU A 1 45 ? 1.429 10.410 -0.552 1.00 0.00 ? 45 LEU A CD1 19 ATOM 28107 C CD2 . LEU A 1 45 ? 0.408 12.619 -1.131 1.00 0.00 ? 45 LEU A CD2 19 ATOM 28108 H H . LEU A 1 45 ? 1.764 10.845 -4.471 1.00 0.00 ? 45 LEU A H 19 ATOM 28109 H HA . LEU A 1 45 ? 1.698 13.464 -3.460 1.00 0.00 ? 45 LEU A HA 19 ATOM 28110 H HB2 . LEU A 1 45 ? 3.102 10.992 -2.467 1.00 0.00 ? 45 LEU A HB2 19 ATOM 28111 H HB3 . LEU A 1 45 ? 3.015 12.499 -1.557 1.00 0.00 ? 45 LEU A HB3 19 ATOM 28112 H HG . LEU A 1 45 ? 0.584 10.943 -2.422 1.00 0.00 ? 45 LEU A HG 19 ATOM 28113 H HD11 . LEU A 1 45 ? 0.772 9.565 -0.684 1.00 0.00 ? 45 LEU A HD11 19 ATOM 28114 H HD12 . LEU A 1 45 ? 1.235 10.871 0.405 1.00 0.00 ? 45 LEU A HD12 19 ATOM 28115 H HD13 . LEU A 1 45 ? 2.457 10.078 -0.589 1.00 0.00 ? 45 LEU A HD13 19 ATOM 28116 H HD21 . LEU A 1 45 ? -0.340 12.280 -0.430 1.00 0.00 ? 45 LEU A HD21 19 ATOM 28117 H HD22 . LEU A 1 45 ? -0.075 13.127 -1.953 1.00 0.00 ? 45 LEU A HD22 19 ATOM 28118 H HD23 . LEU A 1 45 ? 1.086 13.297 -0.636 1.00 0.00 ? 45 LEU A HD23 19 ATOM 28119 N N . SER A 1 46 ? 4.708 12.381 -4.299 1.00 0.00 ? 46 SER A N 19 ATOM 28120 C CA . SER A 1 46 ? 6.051 12.818 -4.664 1.00 0.00 ? 46 SER A CA 19 ATOM 28121 C C . SER A 1 46 ? 5.997 13.898 -5.740 1.00 0.00 ? 46 SER A C 19 ATOM 28122 O O . SER A 1 46 ? 6.892 14.738 -5.836 1.00 0.00 ? 46 SER A O 19 ATOM 28123 C CB . SER A 1 46 ? 6.879 11.630 -5.159 1.00 0.00 ? 46 SER A CB 19 ATOM 28124 O OG . SER A 1 46 ? 6.463 11.221 -6.450 1.00 0.00 ? 46 SER A OG 19 ATOM 28125 H H . SER A 1 46 ? 4.496 11.424 -4.311 1.00 0.00 ? 46 SER A H 19 ATOM 28126 H HA . SER A 1 46 ? 6.517 13.228 -3.781 1.00 0.00 ? 46 SER A HA 19 ATOM 28127 H HB2 . SER A 1 46 ? 7.919 11.913 -5.202 1.00 0.00 ? 46 SER A HB2 19 ATOM 28128 H HB3 . SER A 1 46 ? 6.759 10.802 -4.476 1.00 0.00 ? 46 SER A HB3 19 ATOM 28129 H HG . SER A 1 46 ? 5.564 11.521 -6.607 1.00 0.00 ? 46 SER A HG 19 ATOM 28130 N N . GLU A 1 47 ? 4.941 13.869 -6.546 1.00 0.00 ? 47 GLU A N 19 ATOM 28131 C CA . GLU A 1 47 ? 4.771 14.846 -7.616 1.00 0.00 ? 47 GLU A CA 19 ATOM 28132 C C . GLU A 1 47 ? 4.370 16.206 -7.052 1.00 0.00 ? 47 GLU A C 19 ATOM 28133 O O . GLU A 1 47 ? 4.790 17.247 -7.557 1.00 0.00 ? 47 GLU A O 19 ATOM 28134 C CB . GLU A 1 47 ? 3.715 14.364 -8.613 1.00 0.00 ? 47 GLU A CB 19 ATOM 28135 C CG . GLU A 1 47 ? 4.247 13.366 -9.628 1.00 0.00 ? 47 GLU A CG 19 ATOM 28136 C CD . GLU A 1 47 ? 5.359 13.940 -10.483 1.00 0.00 ? 47 GLU A CD 19 ATOM 28137 O OE1 . GLU A 1 47 ? 5.193 15.068 -10.993 1.00 0.00 ? 47 GLU A OE1 19 ATOM 28138 O OE2 . GLU A 1 47 ? 6.396 13.262 -10.643 1.00 0.00 ? 47 GLU A OE2 19 ATOM 28139 H H . GLU A 1 47 ? 4.261 13.175 -6.420 1.00 0.00 ? 47 GLU A H 19 ATOM 28140 H HA . GLU A 1 47 ? 5.716 14.946 -8.127 1.00 0.00 ? 47 GLU A HA 19 ATOM 28141 H HB2 . GLU A 1 47 ? 2.908 13.897 -8.068 1.00 0.00 ? 47 GLU A HB2 19 ATOM 28142 H HB3 . GLU A 1 47 ? 3.328 15.218 -9.149 1.00 0.00 ? 47 GLU A HB3 19 ATOM 28143 H HG2 . GLU A 1 47 ? 4.627 12.504 -9.101 1.00 0.00 ? 47 GLU A HG2 19 ATOM 28144 H HG3 . GLU A 1 47 ? 3.436 13.062 -10.274 1.00 0.00 ? 47 GLU A HG3 19 ATOM 28145 N N . ALA A 1 48 ? 3.555 16.188 -6.003 1.00 0.00 ? 48 ALA A N 19 ATOM 28146 C CA . ALA A 1 48 ? 3.099 17.419 -5.369 1.00 0.00 ? 48 ALA A CA 19 ATOM 28147 C C . ALA A 1 48 ? 4.272 18.215 -4.807 1.00 0.00 ? 48 ALA A C 19 ATOM 28148 O O . ALA A 1 48 ? 4.483 19.370 -5.174 1.00 0.00 ? 48 ALA A O 19 ATOM 28149 C CB . ALA A 1 48 ? 2.095 17.106 -4.269 1.00 0.00 ? 48 ALA A CB 19 ATOM 28150 H H . ALA A 1 48 ? 3.254 15.327 -5.646 1.00 0.00 ? 48 ALA A H 19 ATOM 28151 H HA . ALA A 1 48 ? 2.599 18.015 -6.119 1.00 0.00 ? 48 ALA A HA 19 ATOM 28152 H HB1 . ALA A 1 48 ? 1.735 18.029 -3.839 1.00 0.00 ? 48 ALA A HB1 19 ATOM 28153 H HB2 . ALA A 1 48 ? 1.266 16.554 -4.685 1.00 0.00 ? 48 ALA A HB2 19 ATOM 28154 H HB3 . ALA A 1 48 ? 2.574 16.514 -3.503 1.00 0.00 ? 48 ALA A HB3 19 ATOM 28155 N N . MET A 1 49 ? 5.031 17.589 -3.913 1.00 0.00 ? 49 MET A N 19 ATOM 28156 C CA . MET A 1 49 ? 6.183 18.240 -3.300 1.00 0.00 ? 49 MET A CA 19 ATOM 28157 C C . MET A 1 49 ? 7.167 18.717 -4.364 1.00 0.00 ? 49 MET A C 19 ATOM 28158 O O . MET A 1 49 ? 7.886 19.697 -4.165 1.00 0.00 ? 49 MET A O 19 ATOM 28159 C CB . MET A 1 49 ? 6.883 17.282 -2.334 1.00 0.00 ? 49 MET A CB 19 ATOM 28160 C CG . MET A 1 49 ? 7.231 15.939 -2.956 1.00 0.00 ? 49 MET A CG 19 ATOM 28161 S SD . MET A 1 49 ? 7.661 14.694 -1.724 1.00 0.00 ? 49 MET A SD 19 ATOM 28162 C CE . MET A 1 49 ? 6.318 14.894 -0.557 1.00 0.00 ? 49 MET A CE 19 ATOM 28163 H H . MET A 1 49 ? 4.812 16.668 -3.660 1.00 0.00 ? 49 MET A H 19 ATOM 28164 H HA . MET A 1 49 ? 5.825 19.096 -2.748 1.00 0.00 ? 49 MET A HA 19 ATOM 28165 H HB2 . MET A 1 49 ? 7.797 17.742 -1.989 1.00 0.00 ? 49 MET A HB2 19 ATOM 28166 H HB3 . MET A 1 49 ? 6.236 17.105 -1.488 1.00 0.00 ? 49 MET A HB3 19 ATOM 28167 H HG2 . MET A 1 49 ? 6.380 15.587 -3.520 1.00 0.00 ? 49 MET A HG2 19 ATOM 28168 H HG3 . MET A 1 49 ? 8.070 16.073 -3.621 1.00 0.00 ? 49 MET A HG3 19 ATOM 28169 H HE1 . MET A 1 49 ? 6.127 13.954 -0.062 1.00 0.00 ? 49 MET A HE1 19 ATOM 28170 H HE2 . MET A 1 49 ? 6.587 15.639 0.177 1.00 0.00 ? 49 MET A HE2 19 ATOM 28171 H HE3 . MET A 1 49 ? 5.429 15.212 -1.082 1.00 0.00 ? 49 MET A HE3 19 ATOM 28172 N N . LYS A 1 50 ? 7.195 18.018 -5.494 1.00 0.00 ? 50 LYS A N 19 ATOM 28173 C CA . LYS A 1 50 ? 8.090 18.370 -6.590 1.00 0.00 ? 50 LYS A CA 19 ATOM 28174 C C . LYS A 1 50 ? 7.639 19.660 -7.267 1.00 0.00 ? 50 LYS A C 19 ATOM 28175 O O . LYS A 1 50 ? 8.412 20.302 -7.980 1.00 0.00 ? 50 LYS A O 19 ATOM 28176 C CB . LYS A 1 50 ? 8.145 17.235 -7.615 1.00 0.00 ? 50 LYS A CB 19 ATOM 28177 C CG . LYS A 1 50 ? 9.085 16.108 -7.225 1.00 0.00 ? 50 LYS A CG 19 ATOM 28178 C CD . LYS A 1 50 ? 8.966 14.928 -8.175 1.00 0.00 ? 50 LYS A CD 19 ATOM 28179 C CE . LYS A 1 50 ? 10.258 14.127 -8.233 1.00 0.00 ? 50 LYS A CE 19 ATOM 28180 N NZ . LYS A 1 50 ? 10.369 13.171 -7.096 1.00 0.00 ? 50 LYS A NZ 19 ATOM 28181 H H . LYS A 1 50 ? 6.598 17.246 -5.593 1.00 0.00 ? 50 LYS A H 19 ATOM 28182 H HA . LYS A 1 50 ? 9.076 18.520 -6.178 1.00 0.00 ? 50 LYS A HA 19 ATOM 28183 H HB2 . LYS A 1 50 ? 7.153 16.824 -7.733 1.00 0.00 ? 50 LYS A HB2 19 ATOM 28184 H HB3 . LYS A 1 50 ? 8.473 17.638 -8.562 1.00 0.00 ? 50 LYS A HB3 19 ATOM 28185 H HG2 . LYS A 1 50 ? 10.101 16.474 -7.248 1.00 0.00 ? 50 LYS A HG2 19 ATOM 28186 H HG3 . LYS A 1 50 ? 8.843 15.779 -6.224 1.00 0.00 ? 50 LYS A HG3 19 ATOM 28187 H HD2 . LYS A 1 50 ? 8.170 14.282 -7.835 1.00 0.00 ? 50 LYS A HD2 19 ATOM 28188 H HD3 . LYS A 1 50 ? 8.736 15.296 -9.165 1.00 0.00 ? 50 LYS A HD3 19 ATOM 28189 H HE2 . LYS A 1 50 ? 10.282 13.575 -9.160 1.00 0.00 ? 50 LYS A HE2 19 ATOM 28190 H HE3 . LYS A 1 50 ? 11.092 14.811 -8.200 1.00 0.00 ? 50 LYS A HE3 19 ATOM 28191 H HZ1 . LYS A 1 50 ? 9.627 12.445 -7.166 1.00 0.00 ? 50 LYS A HZ1 19 ATOM 28192 H HZ2 . LYS A 1 50 ? 10.261 13.675 -6.193 1.00 0.00 ? 50 LYS A HZ2 19 ATOM 28193 H HZ3 . LYS A 1 50 ? 11.298 12.704 -7.111 1.00 0.00 ? 50 LYS A HZ3 19 ATOM 28194 N N . LEU A 1 51 ? 6.385 20.035 -7.040 1.00 0.00 ? 51 LEU A N 19 ATOM 28195 C CA . LEU A 1 51 ? 5.832 21.250 -7.627 1.00 0.00 ? 51 LEU A CA 19 ATOM 28196 C C . LEU A 1 51 ? 5.780 22.377 -6.600 1.00 0.00 ? 51 LEU A C 19 ATOM 28197 O O . LEU A 1 51 ? 6.173 23.509 -6.884 1.00 0.00 ? 51 LEU A O 19 ATOM 28198 C CB . LEU A 1 51 ? 4.430 20.982 -8.178 1.00 0.00 ? 51 LEU A CB 19 ATOM 28199 C CG . LEU A 1 51 ? 3.494 22.189 -8.247 1.00 0.00 ? 51 LEU A CG 19 ATOM 28200 C CD1 . LEU A 1 51 ? 2.373 21.938 -9.245 1.00 0.00 ? 51 LEU A CD1 19 ATOM 28201 C CD2 . LEU A 1 51 ? 2.925 22.503 -6.871 1.00 0.00 ? 51 LEU A CD2 19 ATOM 28202 H H . LEU A 1 51 ? 5.818 19.483 -6.463 1.00 0.00 ? 51 LEU A H 19 ATOM 28203 H HA . LEU A 1 51 ? 6.478 21.549 -8.440 1.00 0.00 ? 51 LEU A HA 19 ATOM 28204 H HB2 . LEU A 1 51 ? 4.537 20.588 -9.177 1.00 0.00 ? 51 LEU A HB2 19 ATOM 28205 H HB3 . LEU A 1 51 ? 3.965 20.237 -7.547 1.00 0.00 ? 51 LEU A HB3 19 ATOM 28206 H HG . LEU A 1 51 ? 4.053 23.051 -8.584 1.00 0.00 ? 51 LEU A HG 19 ATOM 28207 H HD11 . LEU A 1 51 ? 2.057 20.908 -9.179 1.00 0.00 ? 51 LEU A HD11 19 ATOM 28208 H HD12 . LEU A 1 51 ? 2.728 22.143 -10.244 1.00 0.00 ? 51 LEU A HD12 19 ATOM 28209 H HD13 . LEU A 1 51 ? 1.539 22.586 -9.019 1.00 0.00 ? 51 LEU A HD13 19 ATOM 28210 H HD21 . LEU A 1 51 ? 2.893 21.599 -6.281 1.00 0.00 ? 51 LEU A HD21 19 ATOM 28211 H HD22 . LEU A 1 51 ? 1.926 22.899 -6.977 1.00 0.00 ? 51 LEU A HD22 19 ATOM 28212 H HD23 . LEU A 1 51 ? 3.552 23.232 -6.380 1.00 0.00 ? 51 LEU A HD23 19 ATOM 28213 N N . THR A 1 52 ? 5.295 22.059 -5.404 1.00 0.00 ? 52 THR A N 19 ATOM 28214 C CA . THR A 1 52 ? 5.192 23.043 -4.335 1.00 0.00 ? 52 THR A CA 19 ATOM 28215 C C . THR A 1 52 ? 6.572 23.502 -3.876 1.00 0.00 ? 52 THR A C 19 ATOM 28216 O O . THR A 1 52 ? 7.465 22.685 -3.654 1.00 0.00 ? 52 THR A O 19 ATOM 28217 C CB . THR A 1 52 ? 4.422 22.481 -3.125 1.00 0.00 ? 52 THR A CB 19 ATOM 28218 O OG1 . THR A 1 52 ? 3.828 23.551 -2.382 1.00 0.00 ? 52 THR A OG1 19 ATOM 28219 C CG2 . THR A 1 52 ? 5.347 21.680 -2.220 1.00 0.00 ? 52 THR A CG2 19 ATOM 28220 H H . THR A 1 52 ? 4.997 21.140 -5.239 1.00 0.00 ? 52 THR A H 19 ATOM 28221 H HA . THR A 1 52 ? 4.649 23.895 -4.716 1.00 0.00 ? 52 THR A HA 19 ATOM 28222 H HB . THR A 1 52 ? 3.642 21.826 -3.487 1.00 0.00 ? 52 THR A HB 19 ATOM 28223 H HG1 . THR A 1 52 ? 4.378 24.334 -2.453 1.00 0.00 ? 52 THR A HG1 19 ATOM 28224 H HG21 . THR A 1 52 ? 4.760 21.018 -1.601 1.00 0.00 ? 52 THR A HG21 19 ATOM 28225 H HG22 . THR A 1 52 ? 5.909 22.356 -1.592 1.00 0.00 ? 52 THR A HG22 19 ATOM 28226 H HG23 . THR A 1 52 ? 6.027 21.100 -2.824 1.00 0.00 ? 52 THR A HG23 19 ATOM 28227 N N . GLU A 1 53 ? 6.738 24.813 -3.735 1.00 0.00 ? 53 GLU A N 19 ATOM 28228 C CA . GLU A 1 53 ? 8.011 25.379 -3.303 1.00 0.00 ? 53 GLU A CA 19 ATOM 28229 C C . GLU A 1 53 ? 8.024 25.595 -1.792 1.00 0.00 ? 53 GLU A C 19 ATOM 28230 O O . GLU A 1 53 ? 9.064 25.467 -1.145 1.00 0.00 ? 53 GLU A O 19 ATOM 28231 C CB . GLU A 1 53 ? 8.275 26.704 -4.021 1.00 0.00 ? 53 GLU A CB 19 ATOM 28232 C CG . GLU A 1 53 ? 8.657 26.539 -5.482 1.00 0.00 ? 53 GLU A CG 19 ATOM 28233 C CD . GLU A 1 53 ? 8.643 27.852 -6.241 1.00 0.00 ? 53 GLU A CD 19 ATOM 28234 O OE1 . GLU A 1 53 ? 7.593 28.529 -6.237 1.00 0.00 ? 53 GLU A OE1 19 ATOM 28235 O OE2 . GLU A 1 53 ? 9.682 28.202 -6.838 1.00 0.00 ? 53 GLU A OE2 19 ATOM 28236 H H . GLU A 1 53 ? 5.988 25.414 -3.928 1.00 0.00 ? 53 GLU A H 19 ATOM 28237 H HA . GLU A 1 53 ? 8.790 24.679 -3.561 1.00 0.00 ? 53 GLU A HA 19 ATOM 28238 H HB2 . GLU A 1 53 ? 7.384 27.313 -3.969 1.00 0.00 ? 53 GLU A HB2 19 ATOM 28239 H HB3 . GLU A 1 53 ? 9.080 27.218 -3.516 1.00 0.00 ? 53 GLU A HB3 19 ATOM 28240 H HG2 . GLU A 1 53 ? 9.650 26.120 -5.537 1.00 0.00 ? 53 GLU A HG2 19 ATOM 28241 H HG3 . GLU A 1 53 ? 7.956 25.863 -5.949 1.00 0.00 ? 53 GLU A HG3 19 ATOM 28242 N N . SER A 1 54 ? 6.862 25.925 -1.237 1.00 0.00 ? 54 SER A N 19 ATOM 28243 C CA . SER A 1 54 ? 6.741 26.163 0.197 1.00 0.00 ? 54 SER A CA 19 ATOM 28244 C C . SER A 1 54 ? 7.328 25.001 0.992 1.00 0.00 ? 54 SER A C 19 ATOM 28245 O O . SER A 1 54 ? 7.462 23.890 0.481 1.00 0.00 ? 54 SER A O 19 ATOM 28246 C CB . SER A 1 54 ? 5.273 26.368 0.578 1.00 0.00 ? 54 SER A CB 19 ATOM 28247 O OG . SER A 1 54 ? 4.838 27.675 0.247 1.00 0.00 ? 54 SER A OG 19 ATOM 28248 H H . SER A 1 54 ? 6.069 26.012 -1.805 1.00 0.00 ? 54 SER A H 19 ATOM 28249 H HA . SER A 1 54 ? 7.293 27.061 0.432 1.00 0.00 ? 54 SER A HA 19 ATOM 28250 H HB2 . SER A 1 54 ? 4.663 25.652 0.048 1.00 0.00 ? 54 SER A HB2 19 ATOM 28251 H HB3 . SER A 1 54 ? 5.157 26.221 1.643 1.00 0.00 ? 54 SER A HB3 19 ATOM 28252 H HG . SER A 1 54 ? 5.572 28.288 0.329 1.00 0.00 ? 54 SER A HG 19 ATOM 28253 N N . GLU A 1 55 ? 7.676 25.268 2.248 1.00 0.00 ? 55 GLU A N 19 ATOM 28254 C CA . GLU A 1 55 ? 8.249 24.245 3.114 1.00 0.00 ? 55 GLU A CA 19 ATOM 28255 C C . GLU A 1 55 ? 7.153 23.423 3.785 1.00 0.00 ? 55 GLU A C 19 ATOM 28256 O O . GLU A 1 55 ? 7.086 22.205 3.619 1.00 0.00 ? 55 GLU A O 19 ATOM 28257 C CB . GLU A 1 55 ? 9.143 24.887 4.177 1.00 0.00 ? 55 GLU A CB 19 ATOM 28258 C CG . GLU A 1 55 ? 10.287 23.996 4.630 1.00 0.00 ? 55 GLU A CG 19 ATOM 28259 C CD . GLU A 1 55 ? 10.901 24.455 5.938 1.00 0.00 ? 55 GLU A CD 19 ATOM 28260 O OE1 . GLU A 1 55 ? 10.139 24.697 6.898 1.00 0.00 ? 55 GLU A OE1 19 ATOM 28261 O OE2 . GLU A 1 55 ? 12.142 24.572 6.004 1.00 0.00 ? 55 GLU A OE2 19 ATOM 28262 H H . GLU A 1 55 ? 7.544 26.173 2.599 1.00 0.00 ? 55 GLU A H 19 ATOM 28263 H HA . GLU A 1 55 ? 8.849 23.589 2.501 1.00 0.00 ? 55 GLU A HA 19 ATOM 28264 H HB2 . GLU A 1 55 ? 9.560 25.799 3.776 1.00 0.00 ? 55 GLU A HB2 19 ATOM 28265 H HB3 . GLU A 1 55 ? 8.539 25.128 5.039 1.00 0.00 ? 55 GLU A HB3 19 ATOM 28266 H HG2 . GLU A 1 55 ? 9.915 22.991 4.757 1.00 0.00 ? 55 GLU A HG2 19 ATOM 28267 H HG3 . GLU A 1 55 ? 11.054 24.002 3.868 1.00 0.00 ? 55 GLU A HG3 19 ATOM 28268 N N . GLN A 1 56 ? 6.295 24.098 4.544 1.00 0.00 ? 56 GLN A N 19 ATOM 28269 C CA . GLN A 1 56 ? 5.202 23.431 5.241 1.00 0.00 ? 56 GLN A CA 19 ATOM 28270 C C . GLN A 1 56 ? 4.518 22.414 4.333 1.00 0.00 ? 56 GLN A C 19 ATOM 28271 O O . GLN A 1 56 ? 4.507 21.218 4.622 1.00 0.00 ? 56 GLN A O 19 ATOM 28272 C CB . GLN A 1 56 ? 4.183 24.458 5.737 1.00 0.00 ? 56 GLN A CB 19 ATOM 28273 C CG . GLN A 1 56 ? 4.601 25.161 7.018 1.00 0.00 ? 56 GLN A CG 19 ATOM 28274 C CD . GLN A 1 56 ? 5.432 26.401 6.759 1.00 0.00 ? 56 GLN A CD 19 ATOM 28275 O OE1 . GLN A 1 56 ? 4.906 27.446 6.375 1.00 0.00 ? 56 GLN A OE1 19 ATOM 28276 N NE2 . GLN A 1 56 ? 6.739 26.293 6.968 1.00 0.00 ? 56 GLN A NE2 19 ATOM 28277 H H . GLN A 1 56 ? 6.400 25.068 4.637 1.00 0.00 ? 56 GLN A H 19 ATOM 28278 H HA . GLN A 1 56 ? 5.619 22.912 6.091 1.00 0.00 ? 56 GLN A HA 19 ATOM 28279 H HB2 . GLN A 1 56 ? 4.041 25.205 4.971 1.00 0.00 ? 56 GLN A HB2 19 ATOM 28280 H HB3 . GLN A 1 56 ? 3.243 23.956 5.917 1.00 0.00 ? 56 GLN A HB3 19 ATOM 28281 H HG2 . GLN A 1 56 ? 3.713 25.448 7.562 1.00 0.00 ? 56 GLN A HG2 19 ATOM 28282 H HG3 . GLN A 1 56 ? 5.182 24.474 7.617 1.00 0.00 ? 56 GLN A HG3 19 ATOM 28283 H HE21 . GLN A 1 56 ? 7.089 25.429 7.272 1.00 0.00 ? 56 GLN A HE21 19 ATOM 28284 H HE22 . GLN A 1 56 ? 7.300 27.080 6.807 1.00 0.00 ? 56 GLN A HE22 19 ATOM 28285 N N . ALA A 1 57 ? 3.947 22.899 3.235 1.00 0.00 ? 57 ALA A N 19 ATOM 28286 C CA . ALA A 1 57 ? 3.262 22.032 2.285 1.00 0.00 ? 57 ALA A CA 19 ATOM 28287 C C . ALA A 1 57 ? 4.064 20.763 2.022 1.00 0.00 ? 57 ALA A C 19 ATOM 28288 O O . ALA A 1 57 ? 3.567 19.652 2.208 1.00 0.00 ? 57 ALA A O 19 ATOM 28289 C CB . ALA A 1 57 ? 3.005 22.776 0.982 1.00 0.00 ? 57 ALA A CB 19 ATOM 28290 H H . ALA A 1 57 ? 3.989 23.862 3.060 1.00 0.00 ? 57 ALA A H 19 ATOM 28291 H HA . ALA A 1 57 ? 2.306 21.760 2.709 1.00 0.00 ? 57 ALA A HA 19 ATOM 28292 H HB1 . ALA A 1 57 ? 3.292 23.811 1.098 1.00 0.00 ? 57 ALA A HB1 19 ATOM 28293 H HB2 . ALA A 1 57 ? 3.586 22.327 0.191 1.00 0.00 ? 57 ALA A HB2 19 ATOM 28294 H HB3 . ALA A 1 57 ? 1.956 22.718 0.736 1.00 0.00 ? 57 ALA A HB3 19 ATOM 28295 N N . HIS A 1 58 ? 5.309 20.934 1.587 1.00 0.00 ? 58 HIS A N 19 ATOM 28296 C CA . HIS A 1 58 ? 6.180 19.801 1.298 1.00 0.00 ? 58 HIS A CA 19 ATOM 28297 C C . HIS A 1 58 ? 6.232 18.840 2.482 1.00 0.00 ? 58 HIS A C 19 ATOM 28298 O O . HIS A 1 58 ? 5.977 17.644 2.335 1.00 0.00 ? 58 HIS A O 19 ATOM 28299 C CB . HIS A 1 58 ? 7.590 20.288 0.959 1.00 0.00 ? 58 HIS A CB 19 ATOM 28300 C CG . HIS A 1 58 ? 8.587 19.180 0.812 1.00 0.00 ? 58 HIS A CG 19 ATOM 28301 N ND1 . HIS A 1 58 ? 8.940 18.343 1.850 1.00 0.00 ? 58 HIS A ND1 19 ATOM 28302 C CD2 . HIS A 1 58 ? 9.306 18.773 -0.260 1.00 0.00 ? 58 HIS A CD2 19 ATOM 28303 C CE1 . HIS A 1 58 ? 9.835 17.470 1.423 1.00 0.00 ? 58 HIS A CE1 19 ATOM 28304 N NE2 . HIS A 1 58 ? 10.074 17.709 0.146 1.00 0.00 ? 58 HIS A NE2 19 ATOM 28305 H H . HIS A 1 58 ? 5.648 21.844 1.457 1.00 0.00 ? 58 HIS A H 19 ATOM 28306 H HA . HIS A 1 58 ? 5.774 19.279 0.444 1.00 0.00 ? 58 HIS A HA 19 ATOM 28307 H HB2 . HIS A 1 58 ? 7.560 20.833 0.027 1.00 0.00 ? 58 HIS A HB2 19 ATOM 28308 H HB3 . HIS A 1 58 ? 7.935 20.945 1.744 1.00 0.00 ? 58 HIS A HB3 19 ATOM 28309 H HD1 . HIS A 1 58 ? 8.589 18.385 2.763 1.00 0.00 ? 58 HIS A HD1 19 ATOM 28310 H HD2 . HIS A 1 58 ? 9.282 19.204 -1.251 1.00 0.00 ? 58 HIS A HD2 19 ATOM 28311 H HE1 . HIS A 1 58 ? 10.293 16.693 2.016 1.00 0.00 ? 58 HIS A HE1 19 ATOM 28312 H HE2 . HIS A 1 58 ? 10.760 17.262 -0.393 1.00 0.00 ? 58 HIS A HE2 19 ATOM 28313 N N . LEU A 1 59 ? 6.566 19.370 3.653 1.00 0.00 ? 59 LEU A N 19 ATOM 28314 C CA . LEU A 1 59 ? 6.652 18.559 4.863 1.00 0.00 ? 59 LEU A CA 19 ATOM 28315 C C . LEU A 1 59 ? 5.409 17.690 5.026 1.00 0.00 ? 59 LEU A C 19 ATOM 28316 O O . LEU A 1 59 ? 5.499 16.463 5.067 1.00 0.00 ? 59 LEU A O 19 ATOM 28317 C CB . LEU A 1 59 ? 6.826 19.455 6.090 1.00 0.00 ? 59 LEU A CB 19 ATOM 28318 C CG . LEU A 1 59 ? 8.264 19.838 6.443 1.00 0.00 ? 59 LEU A CG 19 ATOM 28319 C CD1 . LEU A 1 59 ? 9.061 20.141 5.184 1.00 0.00 ? 59 LEU A CD1 19 ATOM 28320 C CD2 . LEU A 1 59 ? 8.282 21.031 7.388 1.00 0.00 ? 59 LEU A CD2 19 ATOM 28321 H H . LEU A 1 59 ? 6.758 20.329 3.707 1.00 0.00 ? 59 LEU A H 19 ATOM 28322 H HA . LEU A 1 59 ? 7.516 17.917 4.770 1.00 0.00 ? 59 LEU A HA 19 ATOM 28323 H HB2 . LEU A 1 59 ? 6.276 20.366 5.915 1.00 0.00 ? 59 LEU A HB2 19 ATOM 28324 H HB3 . LEU A 1 59 ? 6.402 18.938 6.939 1.00 0.00 ? 59 LEU A HB3 19 ATOM 28325 H HG . LEU A 1 59 ? 8.738 19.005 6.945 1.00 0.00 ? 59 LEU A HG 19 ATOM 28326 H HD11 . LEU A 1 59 ? 10.114 20.164 5.421 1.00 0.00 ? 59 LEU A HD11 19 ATOM 28327 H HD12 . LEU A 1 59 ? 8.759 21.099 4.789 1.00 0.00 ? 59 LEU A HD12 19 ATOM 28328 H HD13 . LEU A 1 59 ? 8.874 19.373 4.447 1.00 0.00 ? 59 LEU A HD13 19 ATOM 28329 H HD21 . LEU A 1 59 ? 8.811 20.766 8.291 1.00 0.00 ? 59 LEU A HD21 19 ATOM 28330 H HD22 . LEU A 1 59 ? 7.267 21.310 7.634 1.00 0.00 ? 59 LEU A HD22 19 ATOM 28331 H HD23 . LEU A 1 59 ? 8.778 21.861 6.909 1.00 0.00 ? 59 LEU A HD23 19 ATOM 28332 N N . SER A 1 60 ? 4.250 18.335 5.116 1.00 0.00 ? 60 SER A N 19 ATOM 28333 C CA . SER A 1 60 ? 2.989 17.621 5.276 1.00 0.00 ? 60 SER A CA 19 ATOM 28334 C C . SER A 1 60 ? 2.931 16.406 4.354 1.00 0.00 ? 60 SER A C 19 ATOM 28335 O O . SER A 1 60 ? 2.217 15.440 4.625 1.00 0.00 ? 60 SER A O 19 ATOM 28336 C CB . SER A 1 60 ? 1.811 18.552 4.984 1.00 0.00 ? 60 SER A CB 19 ATOM 28337 O OG . SER A 1 60 ? 1.948 19.780 5.679 1.00 0.00 ? 60 SER A OG 19 ATOM 28338 H H . SER A 1 60 ? 4.244 19.314 5.076 1.00 0.00 ? 60 SER A H 19 ATOM 28339 H HA . SER A 1 60 ? 2.926 17.284 6.300 1.00 0.00 ? 60 SER A HA 19 ATOM 28340 H HB2 . SER A 1 60 ? 1.769 18.755 3.925 1.00 0.00 ? 60 SER A HB2 19 ATOM 28341 H HB3 . SER A 1 60 ? 0.893 18.076 5.297 1.00 0.00 ? 60 SER A HB3 19 ATOM 28342 H HG . SER A 1 60 ? 2.000 20.501 5.047 1.00 0.00 ? 60 SER A HG 19 ATOM 28343 N N . LEU A 1 61 ? 3.689 16.462 3.264 1.00 0.00 ? 61 LEU A N 19 ATOM 28344 C CA . LEU A 1 61 ? 3.726 15.367 2.301 1.00 0.00 ? 61 LEU A CA 19 ATOM 28345 C C . LEU A 1 61 ? 4.854 14.394 2.625 1.00 0.00 ? 61 LEU A C 19 ATOM 28346 O O . LEU A 1 61 ? 4.647 13.182 2.667 1.00 0.00 ? 61 LEU A O 19 ATOM 28347 C CB . LEU A 1 61 ? 3.901 15.915 0.883 1.00 0.00 ? 61 LEU A CB 19 ATOM 28348 C CG . LEU A 1 61 ? 2.835 16.904 0.409 1.00 0.00 ? 61 LEU A CG 19 ATOM 28349 C CD1 . LEU A 1 61 ? 3.219 17.496 -0.938 1.00 0.00 ? 61 LEU A CD1 19 ATOM 28350 C CD2 . LEU A 1 61 ? 1.476 16.224 0.328 1.00 0.00 ? 61 LEU A CD2 19 ATOM 28351 H H . LEU A 1 61 ? 4.237 17.258 3.102 1.00 0.00 ? 61 LEU A H 19 ATOM 28352 H HA . LEU A 1 61 ? 2.784 14.842 2.361 1.00 0.00 ? 61 LEU A HA 19 ATOM 28353 H HB2 . LEU A 1 61 ? 4.857 16.413 0.837 1.00 0.00 ? 61 LEU A HB2 19 ATOM 28354 H HB3 . LEU A 1 61 ? 3.901 15.075 0.203 1.00 0.00 ? 61 LEU A HB3 19 ATOM 28355 H HG . LEU A 1 61 ? 2.763 17.714 1.121 1.00 0.00 ? 61 LEU A HG 19 ATOM 28356 H HD11 . LEU A 1 61 ? 3.818 18.380 -0.785 1.00 0.00 ? 61 LEU A HD11 19 ATOM 28357 H HD12 . LEU A 1 61 ? 2.324 17.757 -1.484 1.00 0.00 ? 61 LEU A HD12 19 ATOM 28358 H HD13 . LEU A 1 61 ? 3.785 16.769 -1.503 1.00 0.00 ? 61 LEU A HD13 19 ATOM 28359 H HD21 . LEU A 1 61 ? 1.584 15.259 -0.145 1.00 0.00 ? 61 LEU A HD21 19 ATOM 28360 H HD22 . LEU A 1 61 ? 0.802 16.837 -0.254 1.00 0.00 ? 61 LEU A HD22 19 ATOM 28361 H HD23 . LEU A 1 61 ? 1.078 16.095 1.323 1.00 0.00 ? 61 LEU A HD23 19 ATOM 28362 N N . GLU A 1 62 ? 6.046 14.934 2.857 1.00 0.00 ? 62 GLU A N 19 ATOM 28363 C CA . GLU A 1 62 ? 7.207 14.112 3.179 1.00 0.00 ? 62 GLU A CA 19 ATOM 28364 C C . GLU A 1 62 ? 6.904 13.178 4.348 1.00 0.00 ? 62 GLU A C 19 ATOM 28365 O O . GLU A 1 62 ? 7.372 12.039 4.384 1.00 0.00 ? 62 GLU A O 19 ATOM 28366 C CB . GLU A 1 62 ? 8.408 14.997 3.518 1.00 0.00 ? 62 GLU A CB 19 ATOM 28367 C CG . GLU A 1 62 ? 8.511 15.347 4.993 1.00 0.00 ? 62 GLU A CG 19 ATOM 28368 C CD . GLU A 1 62 ? 9.674 16.273 5.293 1.00 0.00 ? 62 GLU A CD 19 ATOM 28369 O OE1 . GLU A 1 62 ? 10.307 16.761 4.335 1.00 0.00 ? 62 GLU A OE1 19 ATOM 28370 O OE2 . GLU A 1 62 ? 9.950 16.508 6.489 1.00 0.00 ? 62 GLU A OE2 19 ATOM 28371 H H . GLU A 1 62 ? 6.148 15.907 2.809 1.00 0.00 ? 62 GLU A H 19 ATOM 28372 H HA . GLU A 1 62 ? 7.444 13.517 2.311 1.00 0.00 ? 62 GLU A HA 19 ATOM 28373 H HB2 . GLU A 1 62 ? 9.312 14.483 3.227 1.00 0.00 ? 62 GLU A HB2 19 ATOM 28374 H HB3 . GLU A 1 62 ? 8.332 15.917 2.956 1.00 0.00 ? 62 GLU A HB3 19 ATOM 28375 H HG2 . GLU A 1 62 ? 7.596 15.833 5.299 1.00 0.00 ? 62 GLU A HG2 19 ATOM 28376 H HG3 . GLU A 1 62 ? 8.639 14.436 5.558 1.00 0.00 ? 62 GLU A HG3 19 ATOM 28377 N N . LEU A 1 63 ? 6.120 13.669 5.301 1.00 0.00 ? 63 LEU A N 19 ATOM 28378 C CA . LEU A 1 63 ? 5.755 12.879 6.473 1.00 0.00 ? 63 LEU A CA 19 ATOM 28379 C C . LEU A 1 63 ? 4.727 11.812 6.111 1.00 0.00 ? 63 LEU A C 19 ATOM 28380 O O . LEU A 1 63 ? 4.781 10.690 6.613 1.00 0.00 ? 63 LEU A O 19 ATOM 28381 C CB . LEU A 1 63 ? 5.198 13.787 7.571 1.00 0.00 ? 63 LEU A CB 19 ATOM 28382 C CG . LEU A 1 63 ? 6.228 14.611 8.346 1.00 0.00 ? 63 LEU A CG 19 ATOM 28383 C CD1 . LEU A 1 63 ? 5.534 15.637 9.229 1.00 0.00 ? 63 LEU A CD1 19 ATOM 28384 C CD2 . LEU A 1 63 ? 7.118 13.702 9.180 1.00 0.00 ? 63 LEU A CD2 19 ATOM 28385 H H . LEU A 1 63 ? 5.779 14.583 5.217 1.00 0.00 ? 63 LEU A H 19 ATOM 28386 H HA . LEU A 1 63 ? 6.648 12.393 6.836 1.00 0.00 ? 63 LEU A HA 19 ATOM 28387 H HB2 . LEU A 1 63 ? 4.504 14.474 7.112 1.00 0.00 ? 63 LEU A HB2 19 ATOM 28388 H HB3 . LEU A 1 63 ? 4.671 13.164 8.278 1.00 0.00 ? 63 LEU A HB3 19 ATOM 28389 H HG . LEU A 1 63 ? 6.855 15.144 7.645 1.00 0.00 ? 63 LEU A HG 19 ATOM 28390 H HD11 . LEU A 1 63 ? 6.276 16.224 9.749 1.00 0.00 ? 63 LEU A HD11 19 ATOM 28391 H HD12 . LEU A 1 63 ? 4.908 15.129 9.947 1.00 0.00 ? 63 LEU A HD12 19 ATOM 28392 H HD13 . LEU A 1 63 ? 4.925 16.286 8.616 1.00 0.00 ? 63 LEU A HD13 19 ATOM 28393 H HD21 . LEU A 1 63 ? 6.987 13.932 10.227 1.00 0.00 ? 63 LEU A HD21 19 ATOM 28394 H HD22 . LEU A 1 63 ? 8.151 13.859 8.905 1.00 0.00 ? 63 LEU A HD22 19 ATOM 28395 H HD23 . LEU A 1 63 ? 6.850 12.672 9.001 1.00 0.00 ? 63 LEU A HD23 19 ATOM 28396 N N . GLN A 1 64 ? 3.794 12.169 5.234 1.00 0.00 ? 64 GLN A N 19 ATOM 28397 C CA . GLN A 1 64 ? 2.755 11.240 4.804 1.00 0.00 ? 64 GLN A CA 19 ATOM 28398 C C . GLN A 1 64 ? 3.346 10.116 3.959 1.00 0.00 ? 64 GLN A C 19 ATOM 28399 O O . GLN A 1 64 ? 3.229 8.940 4.303 1.00 0.00 ? 64 GLN A O 19 ATOM 28400 C CB . GLN A 1 64 ? 1.678 11.980 4.009 1.00 0.00 ? 64 GLN A CB 19 ATOM 28401 C CG . GLN A 1 64 ? 0.696 11.055 3.309 1.00 0.00 ? 64 GLN A CG 19 ATOM 28402 C CD . GLN A 1 64 ? -0.609 11.744 2.961 1.00 0.00 ? 64 GLN A CD 19 ATOM 28403 O OE1 . GLN A 1 64 ? -0.770 12.274 1.861 1.00 0.00 ? 64 GLN A OE1 19 ATOM 28404 N NE2 . GLN A 1 64 ? -1.549 11.741 3.899 1.00 0.00 ? 64 GLN A NE2 19 ATOM 28405 H H . GLN A 1 64 ? 3.804 13.078 4.869 1.00 0.00 ? 64 GLN A H 19 ATOM 28406 H HA . GLN A 1 64 ? 2.307 10.812 5.688 1.00 0.00 ? 64 GLN A HA 19 ATOM 28407 H HB2 . GLN A 1 64 ? 1.123 12.616 4.683 1.00 0.00 ? 64 GLN A HB2 19 ATOM 28408 H HB3 . GLN A 1 64 ? 2.157 12.593 3.261 1.00 0.00 ? 64 GLN A HB3 19 ATOM 28409 H HG2 . GLN A 1 64 ? 1.148 10.693 2.398 1.00 0.00 ? 64 GLN A HG2 19 ATOM 28410 H HG3 . GLN A 1 64 ? 0.482 10.220 3.960 1.00 0.00 ? 64 GLN A HG3 19 ATOM 28411 H HE21 . GLN A 1 64 ? -1.350 11.301 4.752 1.00 0.00 ? 64 GLN A HE21 19 ATOM 28412 H HE22 . GLN A 1 64 ? -2.402 12.181 3.701 1.00 0.00 ? 64 GLN A HE22 19 ATOM 28413 N N . ARG A 1 65 ? 3.980 10.486 2.851 1.00 0.00 ? 65 ARG A N 19 ATOM 28414 C CA . ARG A 1 65 ? 4.588 9.509 1.956 1.00 0.00 ? 65 ARG A CA 19 ATOM 28415 C C . ARG A 1 65 ? 5.330 8.436 2.746 1.00 0.00 ? 65 ARG A C 19 ATOM 28416 O O . ARG A 1 65 ? 5.458 7.297 2.297 1.00 0.00 ? 65 ARG A O 19 ATOM 28417 C CB . ARG A 1 65 ? 5.549 10.201 0.988 1.00 0.00 ? 65 ARG A CB 19 ATOM 28418 C CG . ARG A 1 65 ? 6.104 9.277 -0.084 1.00 0.00 ? 65 ARG A CG 19 ATOM 28419 C CD . ARG A 1 65 ? 6.735 10.061 -1.224 1.00 0.00 ? 65 ARG A CD 19 ATOM 28420 N NE . ARG A 1 65 ? 7.669 9.247 -1.997 1.00 0.00 ? 65 ARG A NE 19 ATOM 28421 C CZ . ARG A 1 65 ? 8.561 9.754 -2.841 1.00 0.00 ? 65 ARG A CZ 19 ATOM 28422 N NH1 . ARG A 1 65 ? 8.640 11.065 -3.019 1.00 0.00 ? 65 ARG A NH1 19 ATOM 28423 N NH2 . ARG A 1 65 ? 9.377 8.948 -3.508 1.00 0.00 ? 65 ARG A NH2 19 ATOM 28424 H H . ARG A 1 65 ? 4.041 11.439 2.630 1.00 0.00 ? 65 ARG A H 19 ATOM 28425 H HA . ARG A 1 65 ? 3.796 9.040 1.390 1.00 0.00 ? 65 ARG A HA 19 ATOM 28426 H HB2 . ARG A 1 65 ? 5.028 11.011 0.498 1.00 0.00 ? 65 ARG A HB2 19 ATOM 28427 H HB3 . ARG A 1 65 ? 6.378 10.604 1.549 1.00 0.00 ? 65 ARG A HB3 19 ATOM 28428 H HG2 . ARG A 1 65 ? 6.855 8.639 0.358 1.00 0.00 ? 65 ARG A HG2 19 ATOM 28429 H HG3 . ARG A 1 65 ? 5.300 8.672 -0.476 1.00 0.00 ? 65 ARG A HG3 19 ATOM 28430 H HD2 . ARG A 1 65 ? 5.952 10.413 -1.878 1.00 0.00 ? 65 ARG A HD2 19 ATOM 28431 H HD3 . ARG A 1 65 ? 7.265 10.907 -0.811 1.00 0.00 ? 65 ARG A HD3 19 ATOM 28432 H HE . ARG A 1 65 ? 7.628 8.276 -1.880 1.00 0.00 ? 65 ARG A HE 19 ATOM 28433 H HH11 . ARG A 1 65 ? 8.027 11.675 -2.517 1.00 0.00 ? 65 ARG A HH11 19 ATOM 28434 H HH12 . ARG A 1 65 ? 9.313 11.445 -3.654 1.00 0.00 ? 65 ARG A HH12 19 ATOM 28435 H HH21 . ARG A 1 65 ? 9.321 7.959 -3.376 1.00 0.00 ? 65 ARG A HH21 19 ATOM 28436 H HH22 . ARG A 1 65 ? 10.048 9.330 -4.143 1.00 0.00 ? 65 ARG A HH22 19 ATOM 28437 N N . ASP A 1 66 ? 5.818 8.807 3.925 1.00 0.00 ? 66 ASP A N 19 ATOM 28438 C CA . ASP A 1 66 ? 6.547 7.876 4.778 1.00 0.00 ? 66 ASP A CA 19 ATOM 28439 C C . ASP A 1 66 ? 5.741 6.602 5.005 1.00 0.00 ? 66 ASP A C 19 ATOM 28440 O O . ASP A 1 66 ? 6.130 5.522 4.561 1.00 0.00 ? 66 ASP A O 19 ATOM 28441 C CB . ASP A 1 66 ? 6.877 8.533 6.120 1.00 0.00 ? 66 ASP A CB 19 ATOM 28442 C CG . ASP A 1 66 ? 7.660 7.614 7.037 1.00 0.00 ? 66 ASP A CG 19 ATOM 28443 O OD1 . ASP A 1 66 ? 7.073 6.629 7.534 1.00 0.00 ? 66 ASP A OD1 19 ATOM 28444 O OD2 . ASP A 1 66 ? 8.860 7.878 7.257 1.00 0.00 ? 66 ASP A OD2 19 ATOM 28445 H H . ASP A 1 66 ? 5.684 9.730 4.228 1.00 0.00 ? 66 ASP A H 19 ATOM 28446 H HA . ASP A 1 66 ? 7.469 7.620 4.278 1.00 0.00 ? 66 ASP A HA 19 ATOM 28447 H HB2 . ASP A 1 66 ? 7.465 9.421 5.944 1.00 0.00 ? 66 ASP A HB2 19 ATOM 28448 H HB3 . ASP A 1 66 ? 5.956 8.807 6.615 1.00 0.00 ? 66 ASP A HB3 19 ATOM 28449 N N . SER A 1 67 ? 4.616 6.735 5.702 1.00 0.00 ? 67 SER A N 19 ATOM 28450 C CA . SER A 1 67 ? 3.758 5.593 5.992 1.00 0.00 ? 67 SER A CA 19 ATOM 28451 C C . SER A 1 67 ? 3.365 4.868 4.709 1.00 0.00 ? 67 SER A C 19 ATOM 28452 O O . SER A 1 67 ? 3.133 3.658 4.712 1.00 0.00 ? 67 SER A O 19 ATOM 28453 C CB . SER A 1 67 ? 2.502 6.049 6.739 1.00 0.00 ? 67 SER A CB 19 ATOM 28454 O OG . SER A 1 67 ? 2.024 7.281 6.227 1.00 0.00 ? 67 SER A OG 19 ATOM 28455 H H . SER A 1 67 ? 4.360 7.622 6.029 1.00 0.00 ? 67 SER A H 19 ATOM 28456 H HA . SER A 1 67 ? 4.313 4.912 6.621 1.00 0.00 ? 67 SER A HA 19 ATOM 28457 H HB2 . SER A 1 67 ? 1.730 5.303 6.628 1.00 0.00 ? 67 SER A HB2 19 ATOM 28458 H HB3 . SER A 1 67 ? 2.735 6.174 7.786 1.00 0.00 ? 67 SER A HB3 19 ATOM 28459 H HG . SER A 1 67 ? 1.093 7.197 6.008 1.00 0.00 ? 67 SER A HG 19 ATOM 28460 N N . HIS A 1 68 ? 3.292 5.616 3.613 1.00 0.00 ? 68 HIS A N 19 ATOM 28461 C CA . HIS A 1 68 ? 2.928 5.045 2.320 1.00 0.00 ? 68 HIS A CA 19 ATOM 28462 C C . HIS A 1 68 ? 3.979 4.042 1.854 1.00 0.00 ? 68 HIS A C 19 ATOM 28463 O O . HIS A 1 68 ? 3.664 3.081 1.152 1.00 0.00 ? 68 HIS A O 19 ATOM 28464 C CB . HIS A 1 68 ? 2.765 6.152 1.278 1.00 0.00 ? 68 HIS A CB 19 ATOM 28465 C CG . HIS A 1 68 ? 1.372 6.695 1.195 1.00 0.00 ? 68 HIS A CG 19 ATOM 28466 N ND1 . HIS A 1 68 ? 0.286 5.928 0.829 1.00 0.00 ? 68 HIS A ND1 19 ATOM 28467 C CD2 . HIS A 1 68 ? 0.890 7.938 1.433 1.00 0.00 ? 68 HIS A CD2 19 ATOM 28468 C CE1 . HIS A 1 68 ? -0.804 6.676 0.845 1.00 0.00 ? 68 HIS A CE1 19 ATOM 28469 N NE2 . HIS A 1 68 ? -0.464 7.899 1.209 1.00 0.00 ? 68 HIS A NE2 19 ATOM 28470 H H . HIS A 1 68 ? 3.489 6.574 3.674 1.00 0.00 ? 68 HIS A H 19 ATOM 28471 H HA . HIS A 1 68 ? 1.986 4.532 2.438 1.00 0.00 ? 68 HIS A HA 19 ATOM 28472 H HB2 . HIS A 1 68 ? 3.425 6.970 1.525 1.00 0.00 ? 68 HIS A HB2 19 ATOM 28473 H HB3 . HIS A 1 68 ? 3.029 5.763 0.305 1.00 0.00 ? 68 HIS A HB3 19 ATOM 28474 H HD1 . HIS A 1 68 ? 0.310 4.978 0.592 1.00 0.00 ? 68 HIS A HD1 19 ATOM 28475 H HD2 . HIS A 1 68 ? 1.464 8.800 1.743 1.00 0.00 ? 68 HIS A HD2 19 ATOM 28476 H HE1 . HIS A 1 68 ? -1.802 6.344 0.603 1.00 0.00 ? 68 HIS A HE1 19 ATOM 28477 H HE2 . HIS A 1 68 ? -1.066 8.672 1.219 1.00 0.00 ? 68 HIS A HE2 19 ATOM 28478 N N . MET A 1 69 ? 5.227 4.273 2.248 1.00 0.00 ? 69 MET A N 19 ATOM 28479 C CA . MET A 1 69 ? 6.323 3.388 1.871 1.00 0.00 ? 69 MET A CA 19 ATOM 28480 C C . MET A 1 69 ? 6.623 2.389 2.983 1.00 0.00 ? 69 MET A C 19 ATOM 28481 O O . MET A 1 69 ? 7.014 1.251 2.721 1.00 0.00 ? 69 MET A O 19 ATOM 28482 C CB . MET A 1 69 ? 7.577 4.204 1.550 1.00 0.00 ? 69 MET A CB 19 ATOM 28483 C CG . MET A 1 69 ? 7.602 4.748 0.131 1.00 0.00 ? 69 MET A CG 19 ATOM 28484 S SD . MET A 1 69 ? 7.476 3.450 -1.113 1.00 0.00 ? 69 MET A SD 19 ATOM 28485 C CE . MET A 1 69 ? 8.556 2.204 -0.413 1.00 0.00 ? 69 MET A CE 19 ATOM 28486 H H . MET A 1 69 ? 5.415 5.056 2.807 1.00 0.00 ? 69 MET A H 19 ATOM 28487 H HA . MET A 1 69 ? 6.022 2.846 0.987 1.00 0.00 ? 69 MET A HA 19 ATOM 28488 H HB2 . MET A 1 69 ? 7.634 5.038 2.234 1.00 0.00 ? 69 MET A HB2 19 ATOM 28489 H HB3 . MET A 1 69 ? 8.445 3.576 1.687 1.00 0.00 ? 69 MET A HB3 19 ATOM 28490 H HG2 . MET A 1 69 ? 6.772 5.428 0.006 1.00 0.00 ? 69 MET A HG2 19 ATOM 28491 H HG3 . MET A 1 69 ? 8.528 5.283 -0.018 1.00 0.00 ? 69 MET A HG3 19 ATOM 28492 H HE1 . MET A 1 69 ? 8.181 1.906 0.555 1.00 0.00 ? 69 MET A HE1 19 ATOM 28493 H HE2 . MET A 1 69 ? 8.586 1.345 -1.067 1.00 0.00 ? 69 MET A HE2 19 ATOM 28494 H HE3 . MET A 1 69 ? 9.551 2.610 -0.305 1.00 0.00 ? 69 MET A HE3 19 ATOM 28495 N N . LYS A 1 70 ? 6.438 2.820 4.226 1.00 0.00 ? 70 LYS A N 19 ATOM 28496 C CA . LYS A 1 70 ? 6.687 1.963 5.379 1.00 0.00 ? 70 LYS A CA 19 ATOM 28497 C C . LYS A 1 70 ? 5.888 0.668 5.278 1.00 0.00 ? 70 LYS A C 19 ATOM 28498 O O . LYS A 1 70 ? 6.381 -0.404 5.626 1.00 0.00 ? 70 LYS A O 19 ATOM 28499 C CB . LYS A 1 70 ? 6.328 2.697 6.673 1.00 0.00 ? 70 LYS A CB 19 ATOM 28500 C CG . LYS A 1 70 ? 4.907 2.439 7.144 1.00 0.00 ? 70 LYS A CG 19 ATOM 28501 C CD . LYS A 1 70 ? 4.642 3.082 8.495 1.00 0.00 ? 70 LYS A CD 19 ATOM 28502 C CE . LYS A 1 70 ? 5.311 2.308 9.621 1.00 0.00 ? 70 LYS A CE 19 ATOM 28503 N NZ . LYS A 1 70 ? 5.505 3.151 10.834 1.00 0.00 ? 70 LYS A NZ 19 ATOM 28504 H H . LYS A 1 70 ? 6.124 3.738 4.371 1.00 0.00 ? 70 LYS A H 19 ATOM 28505 H HA . LYS A 1 70 ? 7.739 1.722 5.392 1.00 0.00 ? 70 LYS A HA 19 ATOM 28506 H HB2 . LYS A 1 70 ? 7.006 2.382 7.452 1.00 0.00 ? 70 LYS A HB2 19 ATOM 28507 H HB3 . LYS A 1 70 ? 6.444 3.760 6.514 1.00 0.00 ? 70 LYS A HB3 19 ATOM 28508 H HG2 . LYS A 1 70 ? 4.217 2.848 6.421 1.00 0.00 ? 70 LYS A HG2 19 ATOM 28509 H HG3 . LYS A 1 70 ? 4.753 1.372 7.227 1.00 0.00 ? 70 LYS A HG3 19 ATOM 28510 H HD2 . LYS A 1 70 ? 5.030 4.090 8.487 1.00 0.00 ? 70 LYS A HD2 19 ATOM 28511 H HD3 . LYS A 1 70 ? 3.576 3.105 8.670 1.00 0.00 ? 70 LYS A HD3 19 ATOM 28512 H HE2 . LYS A 1 70 ? 4.691 1.462 9.877 1.00 0.00 ? 70 LYS A HE2 19 ATOM 28513 H HE3 . LYS A 1 70 ? 6.273 1.959 9.278 1.00 0.00 ? 70 LYS A HE3 19 ATOM 28514 H HZ1 . LYS A 1 70 ? 5.540 2.551 11.683 1.00 0.00 ? 70 LYS A HZ1 19 ATOM 28515 H HZ2 . LYS A 1 70 ? 4.718 3.824 10.931 1.00 0.00 ? 70 LYS A HZ2 19 ATOM 28516 H HZ3 . LYS A 1 70 ? 6.395 3.683 10.761 1.00 0.00 ? 70 LYS A HZ3 19 ATOM 28517 N N . GLN A 1 71 ? 4.653 0.776 4.798 1.00 0.00 ? 71 GLN A N 19 ATOM 28518 C CA . GLN A 1 71 ? 3.786 -0.387 4.650 1.00 0.00 ? 71 GLN A CA 19 ATOM 28519 C C . GLN A 1 71 ? 4.205 -1.228 3.449 1.00 0.00 ? 71 GLN A C 19 ATOM 28520 O O . GLN A 1 71 ? 4.033 -2.448 3.442 1.00 0.00 ? 71 GLN A O 19 ATOM 28521 C CB . GLN A 1 71 ? 2.329 0.052 4.498 1.00 0.00 ? 71 GLN A CB 19 ATOM 28522 C CG . GLN A 1 71 ? 1.647 0.367 5.819 1.00 0.00 ? 71 GLN A CG 19 ATOM 28523 C CD . GLN A 1 71 ? 1.217 -0.880 6.566 1.00 0.00 ? 71 GLN A CD 19 ATOM 28524 O OE1 . GLN A 1 71 ? 0.153 -1.439 6.302 1.00 0.00 ? 71 GLN A OE1 19 ATOM 28525 N NE2 . GLN A 1 71 ? 2.045 -1.323 7.506 1.00 0.00 ? 71 GLN A NE2 19 ATOM 28526 H H . GLN A 1 71 ? 4.317 1.659 4.537 1.00 0.00 ? 71 GLN A H 19 ATOM 28527 H HA . GLN A 1 71 ? 3.881 -0.986 5.543 1.00 0.00 ? 71 GLN A HA 19 ATOM 28528 H HB2 . GLN A 1 71 ? 2.295 0.936 3.879 1.00 0.00 ? 71 GLN A HB2 19 ATOM 28529 H HB3 . GLN A 1 71 ? 1.776 -0.739 4.012 1.00 0.00 ? 71 GLN A HB3 19 ATOM 28530 H HG2 . GLN A 1 71 ? 2.335 0.921 6.441 1.00 0.00 ? 71 GLN A HG2 19 ATOM 28531 H HG3 . GLN A 1 71 ? 0.774 0.972 5.624 1.00 0.00 ? 71 GLN A HG3 19 ATOM 28532 H HE21 . GLN A 1 71 ? 2.875 -0.825 7.662 1.00 0.00 ? 71 GLN A HE21 19 ATOM 28533 H HE22 . GLN A 1 71 ? 1.792 -2.126 8.004 1.00 0.00 ? 71 GLN A HE22 19 ATOM 28534 N N . LEU A 1 72 ? 4.753 -0.570 2.434 1.00 0.00 ? 72 LEU A N 19 ATOM 28535 C CA . LEU A 1 72 ? 5.196 -1.257 1.226 1.00 0.00 ? 72 LEU A CA 19 ATOM 28536 C C . LEU A 1 72 ? 6.348 -2.208 1.532 1.00 0.00 ? 72 LEU A C 19 ATOM 28537 O O . LEU A 1 72 ? 6.255 -3.412 1.290 1.00 0.00 ? 72 LEU A O 19 ATOM 28538 C CB . LEU A 1 72 ? 5.626 -0.241 0.166 1.00 0.00 ? 72 LEU A CB 19 ATOM 28539 C CG . LEU A 1 72 ? 6.282 -0.818 -1.089 1.00 0.00 ? 72 LEU A CG 19 ATOM 28540 C CD1 . LEU A 1 72 ? 5.526 -2.047 -1.570 1.00 0.00 ? 72 LEU A CD1 19 ATOM 28541 C CD2 . LEU A 1 72 ? 6.347 0.233 -2.188 1.00 0.00 ? 72 LEU A CD2 19 ATOM 28542 H H . LEU A 1 72 ? 4.864 0.402 2.497 1.00 0.00 ? 72 LEU A H 19 ATOM 28543 H HA . LEU A 1 72 ? 4.363 -1.830 0.846 1.00 0.00 ? 72 LEU A HA 19 ATOM 28544 H HB2 . LEU A 1 72 ? 4.749 0.307 -0.142 1.00 0.00 ? 72 LEU A HB2 19 ATOM 28545 H HB3 . LEU A 1 72 ? 6.330 0.438 0.626 1.00 0.00 ? 72 LEU A HB3 19 ATOM 28546 H HG . LEU A 1 72 ? 7.293 -1.119 -0.853 1.00 0.00 ? 72 LEU A HG 19 ATOM 28547 H HD11 . LEU A 1 72 ? 5.491 -2.780 -0.778 1.00 0.00 ? 72 LEU A HD11 19 ATOM 28548 H HD12 . LEU A 1 72 ? 6.031 -2.467 -2.427 1.00 0.00 ? 72 LEU A HD12 19 ATOM 28549 H HD13 . LEU A 1 72 ? 4.521 -1.766 -1.847 1.00 0.00 ? 72 LEU A HD13 19 ATOM 28550 H HD21 . LEU A 1 72 ? 5.525 0.089 -2.873 1.00 0.00 ? 72 LEU A HD21 19 ATOM 28551 H HD22 . LEU A 1 72 ? 7.282 0.138 -2.722 1.00 0.00 ? 72 LEU A HD22 19 ATOM 28552 H HD23 . LEU A 1 72 ? 6.281 1.218 -1.748 1.00 0.00 ? 72 LEU A HD23 19 ATOM 28553 N N . LEU A 1 73 ? 7.434 -1.661 2.067 1.00 0.00 ? 73 LEU A N 19 ATOM 28554 C CA . LEU A 1 73 ? 8.605 -2.461 2.409 1.00 0.00 ? 73 LEU A CA 19 ATOM 28555 C C . LEU A 1 73 ? 8.217 -3.644 3.290 1.00 0.00 ? 73 LEU A C 19 ATOM 28556 O O . LEU A 1 73 ? 8.852 -4.699 3.246 1.00 0.00 ? 73 LEU A O 19 ATOM 28557 C CB . LEU A 1 73 ? 9.646 -1.598 3.124 1.00 0.00 ? 73 LEU A CB 19 ATOM 28558 C CG . LEU A 1 73 ? 9.919 -0.226 2.505 1.00 0.00 ? 73 LEU A CG 19 ATOM 28559 C CD1 . LEU A 1 73 ? 11.036 0.484 3.255 1.00 0.00 ? 73 LEU A CD1 19 ATOM 28560 C CD2 . LEU A 1 73 ? 10.269 -0.366 1.031 1.00 0.00 ? 73 LEU A CD2 19 ATOM 28561 H H . LEU A 1 73 ? 7.450 -0.696 2.237 1.00 0.00 ? 73 LEU A H 19 ATOM 28562 H HA . LEU A 1 73 ? 9.030 -2.836 1.490 1.00 0.00 ? 73 LEU A HA 19 ATOM 28563 H HB2 . LEU A 1 73 ? 9.307 -1.442 4.137 1.00 0.00 ? 73 LEU A HB2 19 ATOM 28564 H HB3 . LEU A 1 73 ? 10.577 -2.147 3.138 1.00 0.00 ? 73 LEU A HB3 19 ATOM 28565 H HG . LEU A 1 73 ? 9.028 0.381 2.583 1.00 0.00 ? 73 LEU A HG 19 ATOM 28566 H HD11 . LEU A 1 73 ? 11.422 -0.165 4.026 1.00 0.00 ? 73 LEU A HD11 19 ATOM 28567 H HD12 . LEU A 1 73 ? 10.650 1.387 3.704 1.00 0.00 ? 73 LEU A HD12 19 ATOM 28568 H HD13 . LEU A 1 73 ? 11.829 0.736 2.565 1.00 0.00 ? 73 LEU A HD13 19 ATOM 28569 H HD21 . LEU A 1 73 ? 10.277 0.610 0.569 1.00 0.00 ? 73 LEU A HD21 19 ATOM 28570 H HD22 . LEU A 1 73 ? 9.532 -0.988 0.544 1.00 0.00 ? 73 LEU A HD22 19 ATOM 28571 H HD23 . LEU A 1 73 ? 11.244 -0.819 0.934 1.00 0.00 ? 73 LEU A HD23 19 ATOM 28572 N N . LEU A 1 74 ? 7.171 -3.463 4.089 1.00 0.00 ? 74 LEU A N 19 ATOM 28573 C CA . LEU A 1 74 ? 6.697 -4.517 4.979 1.00 0.00 ? 74 LEU A CA 19 ATOM 28574 C C . LEU A 1 74 ? 5.904 -5.566 4.207 1.00 0.00 ? 74 LEU A C 19 ATOM 28575 O O . LEU A 1 74 ? 6.378 -6.682 3.992 1.00 0.00 ? 74 LEU A O 19 ATOM 28576 C CB . LEU A 1 74 ? 5.829 -3.921 6.089 1.00 0.00 ? 74 LEU A CB 19 ATOM 28577 C CG . LEU A 1 74 ? 6.579 -3.359 7.298 1.00 0.00 ? 74 LEU A CG 19 ATOM 28578 C CD1 . LEU A 1 74 ? 5.628 -2.600 8.210 1.00 0.00 ? 74 LEU A CD1 19 ATOM 28579 C CD2 . LEU A 1 74 ? 7.275 -4.477 8.061 1.00 0.00 ? 74 LEU A CD2 19 ATOM 28580 H H . LEU A 1 74 ? 6.706 -2.601 4.080 1.00 0.00 ? 74 LEU A H 19 ATOM 28581 H HA . LEU A 1 74 ? 7.560 -4.990 5.422 1.00 0.00 ? 74 LEU A HA 19 ATOM 28582 H HB2 . LEU A 1 74 ? 5.247 -3.120 5.660 1.00 0.00 ? 74 LEU A HB2 19 ATOM 28583 H HB3 . LEU A 1 74 ? 5.166 -4.698 6.442 1.00 0.00 ? 74 LEU A HB3 19 ATOM 28584 H HG . LEU A 1 74 ? 7.335 -2.666 6.954 1.00 0.00 ? 74 LEU A HG 19 ATOM 28585 H HD11 . LEU A 1 74 ? 5.473 -1.605 7.822 1.00 0.00 ? 74 LEU A HD11 19 ATOM 28586 H HD12 . LEU A 1 74 ? 6.053 -2.538 9.201 1.00 0.00 ? 74 LEU A HD12 19 ATOM 28587 H HD13 . LEU A 1 74 ? 4.682 -3.120 8.257 1.00 0.00 ? 74 LEU A HD13 19 ATOM 28588 H HD21 . LEU A 1 74 ? 8.234 -4.128 8.414 1.00 0.00 ? 74 LEU A HD21 19 ATOM 28589 H HD22 . LEU A 1 74 ? 7.419 -5.324 7.406 1.00 0.00 ? 74 LEU A HD22 19 ATOM 28590 H HD23 . LEU A 1 74 ? 6.666 -4.771 8.903 1.00 0.00 ? 74 LEU A HD23 19 ATOM 28591 N N . ILE A 1 75 ? 4.696 -5.200 3.790 1.00 0.00 ? 75 ILE A N 19 ATOM 28592 C CA . ILE A 1 75 ? 3.840 -6.109 3.039 1.00 0.00 ? 75 ILE A CA 19 ATOM 28593 C C . ILE A 1 75 ? 4.652 -6.938 2.049 1.00 0.00 ? 75 ILE A C 19 ATOM 28594 O O . ILE A 1 75 ? 4.307 -8.082 1.754 1.00 0.00 ? 75 ILE A O 19 ATOM 28595 C CB . ILE A 1 75 ? 2.743 -5.346 2.274 1.00 0.00 ? 75 ILE A CB 19 ATOM 28596 C CG1 . ILE A 1 75 ? 1.805 -4.638 3.254 1.00 0.00 ? 75 ILE A CG1 19 ATOM 28597 C CG2 . ILE A 1 75 ? 1.963 -6.296 1.378 1.00 0.00 ? 75 ILE A CG2 19 ATOM 28598 C CD1 . ILE A 1 75 ? 1.046 -3.484 2.638 1.00 0.00 ? 75 ILE A CD1 19 ATOM 28599 H H . ILE A 1 75 ? 4.374 -4.297 3.993 1.00 0.00 ? 75 ILE A H 19 ATOM 28600 H HA . ILE A 1 75 ? 3.362 -6.775 3.743 1.00 0.00 ? 75 ILE A HA 19 ATOM 28601 H HB . ILE A 1 75 ? 3.220 -4.608 1.647 1.00 0.00 ? 75 ILE A HB 19 ATOM 28602 H HG12 . ILE A 1 75 ? 1.083 -5.348 3.627 1.00 0.00 ? 75 ILE A HG12 19 ATOM 28603 H HG13 . ILE A 1 75 ? 2.384 -4.252 4.080 1.00 0.00 ? 75 ILE A HG13 19 ATOM 28604 H HG21 . ILE A 1 75 ? 2.606 -6.656 0.588 1.00 0.00 ? 75 ILE A HG21 19 ATOM 28605 H HG22 . ILE A 1 75 ? 1.610 -7.133 1.962 1.00 0.00 ? 75 ILE A HG22 19 ATOM 28606 H HG23 . ILE A 1 75 ? 1.121 -5.776 0.947 1.00 0.00 ? 75 ILE A HG23 19 ATOM 28607 H HD11 . ILE A 1 75 ? 0.923 -2.701 3.371 1.00 0.00 ? 75 ILE A HD11 19 ATOM 28608 H HD12 . ILE A 1 75 ? 1.595 -3.103 1.791 1.00 0.00 ? 75 ILE A HD12 19 ATOM 28609 H HD13 . ILE A 1 75 ? 0.074 -3.826 2.312 1.00 0.00 ? 75 ILE A HD13 19 ATOM 28610 N N . GLN A 1 76 ? 5.732 -6.352 1.542 1.00 0.00 ? 76 GLN A N 19 ATOM 28611 C CA . GLN A 1 76 ? 6.594 -7.038 0.586 1.00 0.00 ? 76 GLN A CA 19 ATOM 28612 C C . GLN A 1 76 ? 7.085 -8.366 1.152 1.00 0.00 ? 76 GLN A C 19 ATOM 28613 O O . GLN A 1 76 ? 6.864 -9.422 0.560 1.00 0.00 ? 76 GLN A O 19 ATOM 28614 C CB . GLN A 1 76 ? 7.787 -6.154 0.218 1.00 0.00 ? 76 GLN A CB 19 ATOM 28615 C CG . GLN A 1 76 ? 7.510 -5.211 -0.942 1.00 0.00 ? 76 GLN A CG 19 ATOM 28616 C CD . GLN A 1 76 ? 8.774 -4.791 -1.666 1.00 0.00 ? 76 GLN A CD 19 ATOM 28617 O OE1 . GLN A 1 76 ? 9.483 -5.621 -2.235 1.00 0.00 ? 76 GLN A OE1 19 ATOM 28618 N NE2 . GLN A 1 76 ? 9.064 -3.495 -1.648 1.00 0.00 ? 76 GLN A NE2 19 ATOM 28619 H H . GLN A 1 76 ? 5.954 -5.439 1.817 1.00 0.00 ? 76 GLN A H 19 ATOM 28620 H HA . GLN A 1 76 ? 6.014 -7.232 -0.303 1.00 0.00 ? 76 GLN A HA 19 ATOM 28621 H HB2 . GLN A 1 76 ? 8.059 -5.561 1.079 1.00 0.00 ? 76 GLN A HB2 19 ATOM 28622 H HB3 . GLN A 1 76 ? 8.619 -6.787 -0.051 1.00 0.00 ? 76 GLN A HB3 19 ATOM 28623 H HG2 . GLN A 1 76 ? 6.860 -5.709 -1.646 1.00 0.00 ? 76 GLN A HG2 19 ATOM 28624 H HG3 . GLN A 1 76 ? 7.019 -4.328 -0.562 1.00 0.00 ? 76 GLN A HG3 19 ATOM 28625 H HE21 . GLN A 1 76 ? 8.454 -2.891 -1.173 1.00 0.00 ? 76 GLN A HE21 19 ATOM 28626 H HE22 . GLN A 1 76 ? 9.875 -3.195 -2.107 1.00 0.00 ? 76 GLN A HE22 19 ATOM 28627 N N . GLU A 1 77 ? 7.753 -8.304 2.299 1.00 0.00 ? 77 GLU A N 19 ATOM 28628 C CA . GLU A 1 77 ? 8.277 -9.504 2.943 1.00 0.00 ? 77 GLU A CA 19 ATOM 28629 C C . GLU A 1 77 ? 7.146 -10.452 3.330 1.00 0.00 ? 77 GLU A C 19 ATOM 28630 O O . GLU A 1 77 ? 7.241 -11.663 3.129 1.00 0.00 ? 77 GLU A O 19 ATOM 28631 C CB . GLU A 1 77 ? 9.090 -9.129 4.184 1.00 0.00 ? 77 GLU A CB 19 ATOM 28632 C CG . GLU A 1 77 ? 8.467 -8.014 5.006 1.00 0.00 ? 77 GLU A CG 19 ATOM 28633 C CD . GLU A 1 77 ? 9.123 -7.854 6.364 1.00 0.00 ? 77 GLU A CD 19 ATOM 28634 O OE1 . GLU A 1 77 ? 9.312 -8.878 7.055 1.00 0.00 ? 77 GLU A OE1 19 ATOM 28635 O OE2 . GLU A 1 77 ? 9.445 -6.707 6.737 1.00 0.00 ? 77 GLU A OE2 19 ATOM 28636 H H . GLU A 1 77 ? 7.898 -7.432 2.723 1.00 0.00 ? 77 GLU A H 19 ATOM 28637 H HA . GLU A 1 77 ? 8.924 -10.003 2.237 1.00 0.00 ? 77 GLU A HA 19 ATOM 28638 H HB2 . GLU A 1 77 ? 9.187 -10.002 4.813 1.00 0.00 ? 77 GLU A HB2 19 ATOM 28639 H HB3 . GLU A 1 77 ? 10.074 -8.811 3.872 1.00 0.00 ? 77 GLU A HB3 19 ATOM 28640 H HG2 . GLU A 1 77 ? 8.567 -7.085 4.464 1.00 0.00 ? 77 GLU A HG2 19 ATOM 28641 H HG3 . GLU A 1 77 ? 7.420 -8.233 5.152 1.00 0.00 ? 77 GLU A HG3 19 ATOM 28642 N N . ARG A 1 78 ? 6.076 -9.892 3.886 1.00 0.00 ? 78 ARG A N 19 ATOM 28643 C CA . ARG A 1 78 ? 4.928 -10.687 4.302 1.00 0.00 ? 78 ARG A CA 19 ATOM 28644 C C . ARG A 1 78 ? 4.431 -11.566 3.158 1.00 0.00 ? 78 ARG A C 19 ATOM 28645 O O . ARG A 1 78 ? 3.965 -12.684 3.378 1.00 0.00 ? 78 ARG A O 19 ATOM 28646 C CB . ARG A 1 78 ? 3.799 -9.775 4.787 1.00 0.00 ? 78 ARG A CB 19 ATOM 28647 C CG . ARG A 1 78 ? 4.007 -9.245 6.196 1.00 0.00 ? 78 ARG A CG 19 ATOM 28648 C CD . ARG A 1 78 ? 5.394 -8.646 6.367 1.00 0.00 ? 78 ARG A CD 19 ATOM 28649 N NE . ARG A 1 78 ? 5.595 -8.106 7.709 1.00 0.00 ? 78 ARG A NE 19 ATOM 28650 C CZ . ARG A 1 78 ? 5.889 -8.854 8.766 1.00 0.00 ? 78 ARG A CZ 19 ATOM 28651 N NH1 . ARG A 1 78 ? 6.016 -10.167 8.638 1.00 0.00 ? 78 ARG A NH1 19 ATOM 28652 N NH2 . ARG A 1 78 ? 6.058 -8.288 9.954 1.00 0.00 ? 78 ARG A NH2 19 ATOM 28653 H H . ARG A 1 78 ? 6.060 -8.921 4.020 1.00 0.00 ? 78 ARG A H 19 ATOM 28654 H HA . ARG A 1 78 ? 5.241 -11.321 5.118 1.00 0.00 ? 78 ARG A HA 19 ATOM 28655 H HB2 . ARG A 1 78 ? 3.720 -8.932 4.117 1.00 0.00 ? 78 ARG A HB2 19 ATOM 28656 H HB3 . ARG A 1 78 ? 2.872 -10.329 4.767 1.00 0.00 ? 78 ARG A HB3 19 ATOM 28657 H HG2 . ARG A 1 78 ? 3.270 -8.481 6.396 1.00 0.00 ? 78 ARG A HG2 19 ATOM 28658 H HG3 . ARG A 1 78 ? 3.885 -10.057 6.898 1.00 0.00 ? 78 ARG A HG3 19 ATOM 28659 H HD2 . ARG A 1 78 ? 6.129 -9.416 6.186 1.00 0.00 ? 78 ARG A HD2 19 ATOM 28660 H HD3 . ARG A 1 78 ? 5.520 -7.852 5.646 1.00 0.00 ? 78 ARG A HD3 19 ATOM 28661 H HE . ARG A 1 78 ? 5.507 -7.137 7.826 1.00 0.00 ? 78 ARG A HE 19 ATOM 28662 H HH11 . ARG A 1 78 ? 5.890 -10.596 7.744 1.00 0.00 ? 78 ARG A HH11 19 ATOM 28663 H HH12 . ARG A 1 78 ? 6.238 -10.729 9.436 1.00 0.00 ? 78 ARG A HH12 19 ATOM 28664 H HH21 . ARG A 1 78 ? 5.964 -7.298 10.055 1.00 0.00 ? 78 ARG A HH21 19 ATOM 28665 H HH22 . ARG A 1 78 ? 6.279 -8.852 10.750 1.00 0.00 ? 78 ARG A HH22 19 ATOM 28666 N N . TRP A 1 79 ? 4.533 -11.052 1.938 1.00 0.00 ? 79 TRP A N 19 ATOM 28667 C CA . TRP A 1 79 ? 4.093 -11.790 0.759 1.00 0.00 ? 79 TRP A CA 19 ATOM 28668 C C . TRP A 1 79 ? 5.116 -12.850 0.368 1.00 0.00 ? 79 TRP A C 19 ATOM 28669 O O . TRP A 1 79 ? 4.762 -13.995 0.085 1.00 0.00 ? 79 TRP A O 19 ATOM 28670 C CB . TRP A 1 79 ? 3.860 -10.831 -0.410 1.00 0.00 ? 79 TRP A CB 19 ATOM 28671 C CG . TRP A 1 79 ? 3.445 -11.524 -1.673 1.00 0.00 ? 79 TRP A CG 19 ATOM 28672 C CD1 . TRP A 1 79 ? 2.732 -12.685 -1.774 1.00 0.00 ? 79 TRP A CD1 19 ATOM 28673 C CD2 . TRP A 1 79 ? 3.717 -11.101 -3.013 1.00 0.00 ? 79 TRP A CD2 19 ATOM 28674 N NE1 . TRP A 1 79 ? 2.546 -13.009 -3.096 1.00 0.00 ? 79 TRP A NE1 19 ATOM 28675 C CE2 . TRP A 1 79 ? 3.140 -12.052 -3.876 1.00 0.00 ? 79 TRP A CE2 19 ATOM 28676 C CE3 . TRP A 1 79 ? 4.391 -10.009 -3.567 1.00 0.00 ? 79 TRP A CE3 19 ATOM 28677 C CZ2 . TRP A 1 79 ? 3.218 -11.944 -5.262 1.00 0.00 ? 79 TRP A CZ2 19 ATOM 28678 C CZ3 . TRP A 1 79 ? 4.468 -9.903 -4.943 1.00 0.00 ? 79 TRP A CZ3 19 ATOM 28679 C CH2 . TRP A 1 79 ? 3.883 -10.865 -5.778 1.00 0.00 ? 79 TRP A CH2 19 ATOM 28680 H H . TRP A 1 79 ? 4.913 -10.155 1.826 1.00 0.00 ? 79 TRP A H 19 ATOM 28681 H HA . TRP A 1 79 ? 3.161 -12.278 1.003 1.00 0.00 ? 79 TRP A HA 19 ATOM 28682 H HB2 . TRP A 1 79 ? 3.084 -10.130 -0.144 1.00 0.00 ? 79 TRP A HB2 19 ATOM 28683 H HB3 . TRP A 1 79 ? 4.775 -10.292 -0.611 1.00 0.00 ? 79 TRP A HB3 19 ATOM 28684 H HD1 . TRP A 1 79 ? 2.377 -13.256 -0.929 1.00 0.00 ? 79 TRP A HD1 19 ATOM 28685 H HE1 . TRP A 1 79 ? 2.064 -13.796 -3.426 1.00 0.00 ? 79 TRP A HE1 19 ATOM 28686 H HE3 . TRP A 1 79 ? 4.847 -9.257 -2.941 1.00 0.00 ? 79 TRP A HE3 19 ATOM 28687 H HZ2 . TRP A 1 79 ? 2.772 -12.676 -5.919 1.00 0.00 ? 79 TRP A HZ2 19 ATOM 28688 H HZ3 . TRP A 1 79 ? 4.985 -9.066 -5.390 1.00 0.00 ? 79 TRP A HZ3 19 ATOM 28689 H HH2 . TRP A 1 79 ? 3.968 -10.742 -6.846 1.00 0.00 ? 79 TRP A HH2 19 ATOM 28690 N N . LYS A 1 80 ? 6.387 -12.463 0.353 1.00 0.00 ? 80 LYS A N 19 ATOM 28691 C CA . LYS A 1 80 ? 7.463 -13.381 -0.002 1.00 0.00 ? 80 LYS A CA 19 ATOM 28692 C C . LYS A 1 80 ? 7.283 -14.726 0.695 1.00 0.00 ? 80 LYS A C 19 ATOM 28693 O O . LYS A 1 80 ? 7.253 -15.772 0.047 1.00 0.00 ? 80 LYS A O 19 ATOM 28694 C CB . LYS A 1 80 ? 8.819 -12.779 0.371 1.00 0.00 ? 80 LYS A CB 19 ATOM 28695 C CG . LYS A 1 80 ? 9.289 -11.698 -0.587 1.00 0.00 ? 80 LYS A CG 19 ATOM 28696 C CD . LYS A 1 80 ? 10.776 -11.424 -0.432 1.00 0.00 ? 80 LYS A CD 19 ATOM 28697 C CE . LYS A 1 80 ? 11.045 -10.423 0.681 1.00 0.00 ? 80 LYS A CE 19 ATOM 28698 N NZ . LYS A 1 80 ? 12.468 -9.985 0.702 1.00 0.00 ? 80 LYS A NZ 19 ATOM 28699 H H . LYS A 1 80 ? 6.607 -11.537 0.588 1.00 0.00 ? 80 LYS A H 19 ATOM 28700 H HA . LYS A 1 80 ? 7.428 -13.535 -1.070 1.00 0.00 ? 80 LYS A HA 19 ATOM 28701 H HB2 . LYS A 1 80 ? 8.749 -12.349 1.360 1.00 0.00 ? 80 LYS A HB2 19 ATOM 28702 H HB3 . LYS A 1 80 ? 9.558 -13.567 0.383 1.00 0.00 ? 80 LYS A HB3 19 ATOM 28703 H HG2 . LYS A 1 80 ? 9.097 -12.019 -1.600 1.00 0.00 ? 80 LYS A HG2 19 ATOM 28704 H HG3 . LYS A 1 80 ? 8.741 -10.788 -0.386 1.00 0.00 ? 80 LYS A HG3 19 ATOM 28705 H HD2 . LYS A 1 80 ? 11.282 -12.349 -0.198 1.00 0.00 ? 80 LYS A HD2 19 ATOM 28706 H HD3 . LYS A 1 80 ? 11.159 -11.027 -1.361 1.00 0.00 ? 80 LYS A HD3 19 ATOM 28707 H HE2 . LYS A 1 80 ? 10.414 -9.560 0.532 1.00 0.00 ? 80 LYS A HE2 19 ATOM 28708 H HE3 . LYS A 1 80 ? 10.804 -10.884 1.628 1.00 0.00 ? 80 LYS A HE3 19 ATOM 28709 H HZ1 . LYS A 1 80 ? 12.585 -9.123 0.132 1.00 0.00 ? 80 LYS A HZ1 19 ATOM 28710 H HZ2 . LYS A 1 80 ? 13.077 -10.731 0.310 1.00 0.00 ? 80 LYS A HZ2 19 ATOM 28711 H HZ3 . LYS A 1 80 ? 12.767 -9.787 1.678 1.00 0.00 ? 80 LYS A HZ3 19 ATOM 28712 N N . ARG A 1 81 ? 7.162 -14.691 2.018 1.00 0.00 ? 81 ARG A N 19 ATOM 28713 C CA . ARG A 1 81 ? 6.984 -15.907 2.802 1.00 0.00 ? 81 ARG A CA 19 ATOM 28714 C C . ARG A 1 81 ? 5.808 -16.725 2.277 1.00 0.00 ? 81 ARG A C 19 ATOM 28715 O O . ARG A 1 81 ? 5.921 -17.934 2.076 1.00 0.00 ? 81 ARG A O 19 ATOM 28716 C CB . ARG A 1 81 ? 6.761 -15.561 4.275 1.00 0.00 ? 81 ARG A CB 19 ATOM 28717 C CG . ARG A 1 81 ? 8.049 -15.307 5.042 1.00 0.00 ? 81 ARG A CG 19 ATOM 28718 C CD . ARG A 1 81 ? 8.474 -13.850 4.950 1.00 0.00 ? 81 ARG A CD 19 ATOM 28719 N NE . ARG A 1 81 ? 9.375 -13.613 3.825 1.00 0.00 ? 81 ARG A NE 19 ATOM 28720 C CZ . ARG A 1 81 ? 10.666 -13.928 3.839 1.00 0.00 ? 81 ARG A CZ 19 ATOM 28721 N NH1 . ARG A 1 81 ? 11.203 -14.490 4.912 1.00 0.00 ? 81 ARG A NH1 19 ATOM 28722 N NH2 . ARG A 1 81 ? 11.421 -13.681 2.776 1.00 0.00 ? 81 ARG A NH2 19 ATOM 28723 H H . ARG A 1 81 ? 7.193 -13.826 2.478 1.00 0.00 ? 81 ARG A H 19 ATOM 28724 H HA . ARG A 1 81 ? 7.885 -16.495 2.711 1.00 0.00 ? 81 ARG A HA 19 ATOM 28725 H HB2 . ARG A 1 81 ? 6.151 -14.672 4.336 1.00 0.00 ? 81 ARG A HB2 19 ATOM 28726 H HB3 . ARG A 1 81 ? 6.241 -16.379 4.749 1.00 0.00 ? 81 ARG A HB3 19 ATOM 28727 H HG2 . ARG A 1 81 ? 7.894 -15.560 6.081 1.00 0.00 ? 81 ARG A HG2 19 ATOM 28728 H HG3 . ARG A 1 81 ? 8.830 -15.929 4.631 1.00 0.00 ? 81 ARG A HG3 19 ATOM 28729 H HD2 . ARG A 1 81 ? 7.593 -13.239 4.828 1.00 0.00 ? 81 ARG A HD2 19 ATOM 28730 H HD3 . ARG A 1 81 ? 8.977 -13.577 5.866 1.00 0.00 ? 81 ARG A HD3 19 ATOM 28731 H HE . ARG A 1 81 ? 8.999 -13.199 3.022 1.00 0.00 ? 81 ARG A HE 19 ATOM 28732 H HH11 . ARG A 1 81 ? 10.636 -14.678 5.714 1.00 0.00 ? 81 ARG A HH11 19 ATOM 28733 H HH12 . ARG A 1 81 ? 12.175 -14.727 4.919 1.00 0.00 ? 81 ARG A HH12 19 ATOM 28734 H HH21 . ARG A 1 81 ? 11.019 -13.258 1.965 1.00 0.00 ? 81 ARG A HH21 19 ATOM 28735 H HH22 . ARG A 1 81 ? 12.392 -13.918 2.787 1.00 0.00 ? 81 ARG A HH22 19 ATOM 28736 N N . ALA A 1 82 ? 4.680 -16.057 2.057 1.00 0.00 ? 82 ALA A N 19 ATOM 28737 C CA . ALA A 1 82 ? 3.485 -16.722 1.554 1.00 0.00 ? 82 ALA A CA 19 ATOM 28738 C C . ALA A 1 82 ? 3.776 -17.469 0.257 1.00 0.00 ? 82 ALA A C 19 ATOM 28739 O O . ALA A 1 82 ? 3.062 -18.404 -0.107 1.00 0.00 ? 82 ALA A O 19 ATOM 28740 C CB . ALA A 1 82 ? 2.368 -15.710 1.343 1.00 0.00 ? 82 ALA A CB 19 ATOM 28741 H H . ALA A 1 82 ? 4.653 -15.094 2.235 1.00 0.00 ? 82 ALA A H 19 ATOM 28742 H HA . ALA A 1 82 ? 3.158 -17.431 2.301 1.00 0.00 ? 82 ALA A HA 19 ATOM 28743 H HB1 . ALA A 1 82 ? 1.953 -15.834 0.353 1.00 0.00 ? 82 ALA A HB1 19 ATOM 28744 H HB2 . ALA A 1 82 ? 1.595 -15.869 2.080 1.00 0.00 ? 82 ALA A HB2 19 ATOM 28745 H HB3 . ALA A 1 82 ? 2.764 -14.711 1.446 1.00 0.00 ? 82 ALA A HB3 19 ATOM 28746 N N . LYS A 1 83 ? 4.828 -17.051 -0.438 1.00 0.00 ? 83 LYS A N 19 ATOM 28747 C CA . LYS A 1 83 ? 5.215 -17.680 -1.695 1.00 0.00 ? 83 LYS A CA 19 ATOM 28748 C C . LYS A 1 83 ? 5.494 -19.167 -1.496 1.00 0.00 ? 83 LYS A C 19 ATOM 28749 O O . LYS A 1 83 ? 4.972 -20.009 -2.226 1.00 0.00 ? 83 LYS A O 19 ATOM 28750 C CB . LYS A 1 83 ? 6.453 -16.991 -2.274 1.00 0.00 ? 83 LYS A CB 19 ATOM 28751 C CG . LYS A 1 83 ? 6.298 -15.488 -2.426 1.00 0.00 ? 83 LYS A CG 19 ATOM 28752 C CD . LYS A 1 83 ? 5.385 -15.137 -3.589 1.00 0.00 ? 83 LYS A CD 19 ATOM 28753 C CE . LYS A 1 83 ? 6.168 -14.979 -4.883 1.00 0.00 ? 83 LYS A CE 19 ATOM 28754 N NZ . LYS A 1 83 ? 6.656 -13.584 -5.070 1.00 0.00 ? 83 LYS A NZ 19 ATOM 28755 H H . LYS A 1 83 ? 5.359 -16.300 -0.096 1.00 0.00 ? 83 LYS A H 19 ATOM 28756 H HA . LYS A 1 83 ? 4.395 -17.570 -2.387 1.00 0.00 ? 83 LYS A HA 19 ATOM 28757 H HB2 . LYS A 1 83 ? 7.294 -17.182 -1.623 1.00 0.00 ? 83 LYS A HB2 19 ATOM 28758 H HB3 . LYS A 1 83 ? 6.661 -17.411 -3.248 1.00 0.00 ? 83 LYS A HB3 19 ATOM 28759 H HG2 . LYS A 1 83 ? 5.876 -15.085 -1.517 1.00 0.00 ? 83 LYS A HG2 19 ATOM 28760 H HG3 . LYS A 1 83 ? 7.271 -15.050 -2.598 1.00 0.00 ? 83 LYS A HG3 19 ATOM 28761 H HD2 . LYS A 1 83 ? 4.658 -15.924 -3.715 1.00 0.00 ? 83 LYS A HD2 19 ATOM 28762 H HD3 . LYS A 1 83 ? 4.878 -14.207 -3.369 1.00 0.00 ? 83 LYS A HD3 19 ATOM 28763 H HE2 . LYS A 1 83 ? 7.015 -15.647 -4.860 1.00 0.00 ? 83 LYS A HE2 19 ATOM 28764 H HE3 . LYS A 1 83 ? 5.525 -15.240 -5.711 1.00 0.00 ? 83 LYS A HE3 19 ATOM 28765 H HZ1 . LYS A 1 83 ? 6.485 -13.274 -6.048 1.00 0.00 ? 83 LYS A HZ1 19 ATOM 28766 H HZ2 . LYS A 1 83 ? 7.676 -13.534 -4.876 1.00 0.00 ? 83 LYS A HZ2 19 ATOM 28767 H HZ3 . LYS A 1 83 ? 6.158 -12.941 -4.421 1.00 0.00 ? 83 LYS A HZ3 19 ATOM 28768 N N . ARG A 1 84 ? 6.319 -19.482 -0.502 1.00 0.00 ? 84 ARG A N 19 ATOM 28769 C CA . ARG A 1 84 ? 6.666 -20.867 -0.207 1.00 0.00 ? 84 ARG A CA 19 ATOM 28770 C C . ARG A 1 84 ? 5.732 -21.448 0.851 1.00 0.00 ? 84 ARG A C 19 ATOM 28771 O O . ARG A 1 84 ? 5.373 -22.623 0.796 1.00 0.00 ? 84 ARG A O 19 ATOM 28772 C CB . ARG A 1 84 ? 8.116 -20.960 0.270 1.00 0.00 ? 84 ARG A CB 19 ATOM 28773 C CG . ARG A 1 84 ? 8.449 -20.000 1.400 1.00 0.00 ? 84 ARG A CG 19 ATOM 28774 C CD . ARG A 1 84 ? 8.996 -18.684 0.870 1.00 0.00 ? 84 ARG A CD 19 ATOM 28775 N NE . ARG A 1 84 ? 10.452 -18.704 0.752 1.00 0.00 ? 84 ARG A NE 19 ATOM 28776 C CZ . ARG A 1 84 ? 11.192 -17.611 0.599 1.00 0.00 ? 84 ARG A CZ 19 ATOM 28777 N NH1 . ARG A 1 84 ? 10.615 -16.418 0.546 1.00 0.00 ? 84 ARG A NH1 19 ATOM 28778 N NH2 . ARG A 1 84 ? 12.511 -17.711 0.500 1.00 0.00 ? 84 ARG A NH2 19 ATOM 28779 H H . ARG A 1 84 ? 6.703 -18.766 0.046 1.00 0.00 ? 84 ARG A H 19 ATOM 28780 H HA . ARG A 1 84 ? 6.558 -21.437 -1.118 1.00 0.00 ? 84 ARG A HA 19 ATOM 28781 H HB2 . ARG A 1 84 ? 8.305 -21.966 0.616 1.00 0.00 ? 84 ARG A HB2 19 ATOM 28782 H HB3 . ARG A 1 84 ? 8.770 -20.745 -0.561 1.00 0.00 ? 84 ARG A HB3 19 ATOM 28783 H HG2 . ARG A 1 84 ? 7.552 -19.801 1.967 1.00 0.00 ? 84 ARG A HG2 19 ATOM 28784 H HG3 . ARG A 1 84 ? 9.189 -20.455 2.041 1.00 0.00 ? 84 ARG A HG3 19 ATOM 28785 H HD2 . ARG A 1 84 ? 8.569 -18.498 -0.104 1.00 0.00 ? 84 ARG A HD2 19 ATOM 28786 H HD3 . ARG A 1 84 ? 8.709 -17.892 1.545 1.00 0.00 ? 84 ARG A HD3 19 ATOM 28787 H HE . ARG A 1 84 ? 10.898 -19.575 0.790 1.00 0.00 ? 84 ARG A HE 19 ATOM 28788 H HH11 . ARG A 1 84 ? 9.622 -16.340 0.621 1.00 0.00 ? 84 ARG A HH11 19 ATOM 28789 H HH12 . ARG A 1 84 ? 11.175 -15.597 0.432 1.00 0.00 ? 84 ARG A HH12 19 ATOM 28790 H HH21 . ARG A 1 84 ? 12.949 -18.608 0.540 1.00 0.00 ? 84 ARG A HH21 19 ATOM 28791 H HH22 . ARG A 1 84 ? 13.067 -16.888 0.385 1.00 0.00 ? 84 ARG A HH22 19 ATOM 28792 N N . GLU A 1 85 ? 5.345 -20.616 1.812 1.00 0.00 ? 85 GLU A N 19 ATOM 28793 C CA . GLU A 1 85 ? 4.454 -21.048 2.883 1.00 0.00 ? 85 GLU A CA 19 ATOM 28794 C C . GLU A 1 85 ? 3.131 -21.557 2.318 1.00 0.00 ? 85 GLU A C 19 ATOM 28795 O O . GLU A 1 85 ? 2.493 -22.434 2.899 1.00 0.00 ? 85 GLU A O 19 ATOM 28796 C CB . GLU A 1 85 ? 4.196 -19.898 3.858 1.00 0.00 ? 85 GLU A CB 19 ATOM 28797 C CG . GLU A 1 85 ? 5.465 -19.282 4.422 1.00 0.00 ? 85 GLU A CG 19 ATOM 28798 C CD . GLU A 1 85 ? 5.910 -19.942 5.712 1.00 0.00 ? 85 GLU A CD 19 ATOM 28799 O OE1 . GLU A 1 85 ? 5.055 -20.148 6.599 1.00 0.00 ? 85 GLU A OE1 19 ATOM 28800 O OE2 . GLU A 1 85 ? 7.113 -20.253 5.836 1.00 0.00 ? 85 GLU A OE2 19 ATOM 28801 H H . GLU A 1 85 ? 5.665 -19.690 1.802 1.00 0.00 ? 85 GLU A H 19 ATOM 28802 H HA . GLU A 1 85 ? 4.939 -21.854 3.412 1.00 0.00 ? 85 GLU A HA 19 ATOM 28803 H HB2 . GLU A 1 85 ? 3.642 -19.125 3.346 1.00 0.00 ? 85 GLU A HB2 19 ATOM 28804 H HB3 . GLU A 1 85 ? 3.603 -20.267 4.682 1.00 0.00 ? 85 GLU A HB3 19 ATOM 28805 H HG2 . GLU A 1 85 ? 6.255 -19.383 3.693 1.00 0.00 ? 85 GLU A HG2 19 ATOM 28806 H HG3 . GLU A 1 85 ? 5.287 -18.234 4.614 1.00 0.00 ? 85 GLU A HG3 19 ATOM 28807 N N . GLU A 1 86 ? 2.726 -20.999 1.181 1.00 0.00 ? 86 GLU A N 19 ATOM 28808 C CA . GLU A 1 86 ? 1.478 -21.395 0.539 1.00 0.00 ? 86 GLU A CA 19 ATOM 28809 C C . GLU A 1 86 ? 1.685 -22.627 -0.338 1.00 0.00 ? 86 GLU A C 19 ATOM 28810 O O . GLU A 1 86 ? 0.910 -23.582 -0.278 1.00 0.00 ? 86 GLU A O 19 ATOM 28811 C CB . GLU A 1 86 ? 0.924 -20.244 -0.303 1.00 0.00 ? 86 GLU A CB 19 ATOM 28812 C CG . GLU A 1 86 ? -0.287 -20.628 -1.137 1.00 0.00 ? 86 GLU A CG 19 ATOM 28813 C CD . GLU A 1 86 ? -1.212 -19.455 -1.396 1.00 0.00 ? 86 GLU A CD 19 ATOM 28814 O OE1 . GLU A 1 86 ? -1.566 -18.751 -0.427 1.00 0.00 ? 86 GLU A OE1 19 ATOM 28815 O OE2 . GLU A 1 86 ? -1.582 -19.240 -2.570 1.00 0.00 ? 86 GLU A OE2 19 ATOM 28816 H H . GLU A 1 86 ? 3.278 -20.304 0.766 1.00 0.00 ? 86 GLU A H 19 ATOM 28817 H HA . GLU A 1 86 ? 0.768 -21.636 1.315 1.00 0.00 ? 86 GLU A HA 19 ATOM 28818 H HB2 . GLU A 1 86 ? 0.641 -19.436 0.356 1.00 0.00 ? 86 GLU A HB2 19 ATOM 28819 H HB3 . GLU A 1 86 ? 1.699 -19.897 -0.970 1.00 0.00 ? 86 GLU A HB3 19 ATOM 28820 H HG2 . GLU A 1 86 ? 0.053 -21.015 -2.086 1.00 0.00 ? 86 GLU A HG2 19 ATOM 28821 H HG3 . GLU A 1 86 ? -0.840 -21.395 -0.614 1.00 0.00 ? 86 GLU A HG3 19 ATOM 28822 N N . ARG A 1 87 ? 2.736 -22.598 -1.151 1.00 0.00 ? 87 ARG A N 19 ATOM 28823 C CA . ARG A 1 87 ? 3.045 -23.710 -2.041 1.00 0.00 ? 87 ARG A CA 19 ATOM 28824 C C . ARG A 1 87 ? 3.429 -24.954 -1.245 1.00 0.00 ? 87 ARG A C 19 ATOM 28825 O O . ARG A 1 87 ? 3.429 -26.067 -1.773 1.00 0.00 ? 87 ARG A O 19 ATOM 28826 C CB . ARG A 1 87 ? 4.181 -23.330 -2.993 1.00 0.00 ? 87 ARG A CB 19 ATOM 28827 C CG . ARG A 1 87 ? 3.716 -22.565 -4.222 1.00 0.00 ? 87 ARG A CG 19 ATOM 28828 C CD . ARG A 1 87 ? 3.345 -23.508 -5.356 1.00 0.00 ? 87 ARG A CD 19 ATOM 28829 N NE . ARG A 1 87 ? 3.133 -22.794 -6.613 1.00 0.00 ? 87 ARG A NE 19 ATOM 28830 C CZ . ARG A 1 87 ? 3.007 -23.398 -7.789 1.00 0.00 ? 87 ARG A CZ 19 ATOM 28831 N NH1 . ARG A 1 87 ? 3.072 -24.720 -7.869 1.00 0.00 ? 87 ARG A NH1 19 ATOM 28832 N NH2 . ARG A 1 87 ? 2.816 -22.680 -8.888 1.00 0.00 ? 87 ARG A NH2 19 ATOM 28833 H H . ARG A 1 87 ? 3.317 -21.809 -1.153 1.00 0.00 ? 87 ARG A H 19 ATOM 28834 H HA . ARG A 1 87 ? 2.159 -23.927 -2.620 1.00 0.00 ? 87 ARG A HA 19 ATOM 28835 H HB2 . ARG A 1 87 ? 4.890 -22.714 -2.460 1.00 0.00 ? 87 ARG A HB2 19 ATOM 28836 H HB3 . ARG A 1 87 ? 4.675 -24.231 -3.322 1.00 0.00 ? 87 ARG A HB3 19 ATOM 28837 H HG2 . ARG A 1 87 ? 2.849 -21.976 -3.961 1.00 0.00 ? 87 ARG A HG2 19 ATOM 28838 H HG3 . ARG A 1 87 ? 4.512 -21.914 -4.551 1.00 0.00 ? 87 ARG A HG3 19 ATOM 28839 H HD2 . ARG A 1 87 ? 4.144 -24.221 -5.489 1.00 0.00 ? 87 ARG A HD2 19 ATOM 28840 H HD3 . ARG A 1 87 ? 2.438 -24.029 -5.091 1.00 0.00 ? 87 ARG A HD3 19 ATOM 28841 H HE . ARG A 1 87 ? 3.082 -21.816 -6.577 1.00 0.00 ? 87 ARG A HE 19 ATOM 28842 H HH11 . ARG A 1 87 ? 3.214 -25.264 -7.042 1.00 0.00 ? 87 ARG A HH11 19 ATOM 28843 H HH12 . ARG A 1 87 ? 2.975 -25.173 -8.756 1.00 0.00 ? 87 ARG A HH12 19 ATOM 28844 H HH21 . ARG A 1 87 ? 2.767 -21.684 -8.832 1.00 0.00 ? 87 ARG A HH21 19 ATOM 28845 H HH22 . ARG A 1 87 ? 2.722 -23.136 -9.773 1.00 0.00 ? 87 ARG A HH22 19 ATOM 28846 N N . LEU A 1 88 ? 3.755 -24.757 0.028 1.00 0.00 ? 88 LEU A N 19 ATOM 28847 C CA . LEU A 1 88 ? 4.142 -25.862 0.898 1.00 0.00 ? 88 LEU A CA 19 ATOM 28848 C C . LEU A 1 88 ? 2.913 -26.571 1.458 1.00 0.00 ? 88 LEU A C 19 ATOM 28849 O O . LEU A 1 88 ? 2.808 -27.796 1.400 1.00 0.00 ? 88 LEU A O 19 ATOM 28850 C CB . LEU A 1 88 ? 5.017 -25.353 2.044 1.00 0.00 ? 88 LEU A CB 19 ATOM 28851 C CG . LEU A 1 88 ? 6.438 -24.930 1.668 1.00 0.00 ? 88 LEU A CG 19 ATOM 28852 C CD1 . LEU A 1 88 ? 6.929 -23.827 2.592 1.00 0.00 ? 88 LEU A CD1 19 ATOM 28853 C CD2 . LEU A 1 88 ? 7.379 -26.125 1.712 1.00 0.00 ? 88 LEU A CD2 19 ATOM 28854 H H . LEU A 1 88 ? 3.736 -23.848 0.392 1.00 0.00 ? 88 LEU A H 19 ATOM 28855 H HA . LEU A 1 88 ? 4.710 -26.566 0.307 1.00 0.00 ? 88 LEU A HA 19 ATOM 28856 H HB2 . LEU A 1 88 ? 4.524 -24.499 2.482 1.00 0.00 ? 88 LEU A HB2 19 ATOM 28857 H HB3 . LEU A 1 88 ? 5.089 -26.141 2.780 1.00 0.00 ? 88 LEU A HB3 19 ATOM 28858 H HG . LEU A 1 88 ? 6.435 -24.542 0.658 1.00 0.00 ? 88 LEU A HG 19 ATOM 28859 H HD11 . LEU A 1 88 ? 7.338 -23.020 2.004 1.00 0.00 ? 88 LEU A HD11 19 ATOM 28860 H HD12 . LEU A 1 88 ? 7.695 -24.220 3.245 1.00 0.00 ? 88 LEU A HD12 19 ATOM 28861 H HD13 . LEU A 1 88 ? 6.104 -23.460 3.185 1.00 0.00 ? 88 LEU A HD13 19 ATOM 28862 H HD21 . LEU A 1 88 ? 7.767 -26.240 2.713 1.00 0.00 ? 88 LEU A HD21 19 ATOM 28863 H HD22 . LEU A 1 88 ? 8.197 -25.964 1.025 1.00 0.00 ? 88 LEU A HD22 19 ATOM 28864 H HD23 . LEU A 1 88 ? 6.841 -27.018 1.430 1.00 0.00 ? 88 LEU A HD23 19 ATOM 28865 N N . LYS A 1 89 ? 1.982 -25.791 1.998 1.00 0.00 ? 89 LYS A N 19 ATOM 28866 C CA . LYS A 1 89 ? 0.757 -26.342 2.565 1.00 0.00 ? 89 LYS A CA 19 ATOM 28867 C C . LYS A 1 89 ? -0.145 -26.903 1.471 1.00 0.00 ? 89 LYS A C 19 ATOM 28868 O O . LYS A 1 89 ? -0.570 -28.057 1.534 1.00 0.00 ? 89 LYS A O 19 ATOM 28869 C CB . LYS A 1 89 ? 0.008 -25.267 3.356 1.00 0.00 ? 89 LYS A CB 19 ATOM 28870 C CG . LYS A 1 89 ? -0.544 -24.148 2.489 1.00 0.00 ? 89 LYS A CG 19 ATOM 28871 C CD . LYS A 1 89 ? -0.966 -22.951 3.325 1.00 0.00 ? 89 LYS A CD 19 ATOM 28872 C CE . LYS A 1 89 ? -2.320 -23.178 3.980 1.00 0.00 ? 89 LYS A CE 19 ATOM 28873 N NZ . LYS A 1 89 ? -2.195 -23.892 5.281 1.00 0.00 ? 89 LYS A NZ 19 ATOM 28874 H H . LYS A 1 89 ? 2.122 -24.821 2.014 1.00 0.00 ? 89 LYS A H 19 ATOM 28875 H HA . LYS A 1 89 ? 1.032 -27.143 3.234 1.00 0.00 ? 89 LYS A HA 19 ATOM 28876 H HB2 . LYS A 1 89 ? -0.815 -25.729 3.879 1.00 0.00 ? 89 LYS A HB2 19 ATOM 28877 H HB3 . LYS A 1 89 ? 0.684 -24.833 4.079 1.00 0.00 ? 89 LYS A HB3 19 ATOM 28878 H HG2 . LYS A 1 89 ? 0.218 -23.836 1.791 1.00 0.00 ? 89 LYS A HG2 19 ATOM 28879 H HG3 . LYS A 1 89 ? -1.403 -24.517 1.946 1.00 0.00 ? 89 LYS A HG3 19 ATOM 28880 H HD2 . LYS A 1 89 ? -0.229 -22.785 4.097 1.00 0.00 ? 89 LYS A HD2 19 ATOM 28881 H HD3 . LYS A 1 89 ? -1.025 -22.081 2.688 1.00 0.00 ? 89 LYS A HD3 19 ATOM 28882 H HE2 . LYS A 1 89 ? -2.788 -22.220 4.149 1.00 0.00 ? 89 LYS A HE2 19 ATOM 28883 H HE3 . LYS A 1 89 ? -2.933 -23.766 3.313 1.00 0.00 ? 89 LYS A HE3 19 ATOM 28884 H HZ1 . LYS A 1 89 ? -3.009 -24.524 5.420 1.00 0.00 ? 89 LYS A HZ1 19 ATOM 28885 H HZ2 . LYS A 1 89 ? -2.164 -23.208 6.063 1.00 0.00 ? 89 LYS A HZ2 19 ATOM 28886 H HZ3 . LYS A 1 89 ? -1.323 -24.459 5.295 1.00 0.00 ? 89 LYS A HZ3 19 ATOM 28887 N N . ALA A 1 90 ? -0.433 -26.081 0.467 1.00 0.00 ? 90 ALA A N 19 ATOM 28888 C CA . ALA A 1 90 ? -1.281 -26.497 -0.643 1.00 0.00 ? 90 ALA A CA 19 ATOM 28889 C C . ALA A 1 90 ? -0.878 -27.875 -1.155 1.00 0.00 ? 90 ALA A C 19 ATOM 28890 O O . ALA A 1 90 ? -1.704 -28.784 -1.239 1.00 0.00 ? 90 ALA A O 19 ATOM 28891 C CB . ALA A 1 90 ? -1.218 -25.474 -1.767 1.00 0.00 ? 90 ALA A CB 19 ATOM 28892 H H . ALA A 1 90 ? -0.064 -25.173 0.473 1.00 0.00 ? 90 ALA A H 19 ATOM 28893 H HA . ALA A 1 90 ? -2.300 -26.541 -0.286 1.00 0.00 ? 90 ALA A HA 19 ATOM 28894 H HB1 . ALA A 1 90 ? -1.527 -25.939 -2.693 1.00 0.00 ? 90 ALA A HB1 19 ATOM 28895 H HB2 . ALA A 1 90 ? -1.878 -24.650 -1.541 1.00 0.00 ? 90 ALA A HB2 19 ATOM 28896 H HB3 . ALA A 1 90 ? -0.207 -25.110 -1.866 1.00 0.00 ? 90 ALA A HB3 19 ATOM 28897 N N . HIS A 1 91 ? 0.398 -28.024 -1.499 1.00 0.00 ? 91 HIS A N 19 ATOM 28898 C CA . HIS A 1 91 ? 0.911 -29.292 -2.004 1.00 0.00 ? 91 HIS A CA 19 ATOM 28899 C C . HIS A 1 91 ? 0.274 -29.640 -3.346 1.00 0.00 ? 91 HIS A C 19 ATOM 28900 O O . HIS A 1 91 ? -0.085 -30.791 -3.593 1.00 0.00 ? 91 HIS A O 19 ATOM 28901 C CB . HIS A 1 91 ? 0.647 -30.411 -0.996 1.00 0.00 ? 91 HIS A CB 19 ATOM 28902 C CG . HIS A 1 91 ? 1.293 -31.712 -1.362 1.00 0.00 ? 91 HIS A CG 19 ATOM 28903 N ND1 . HIS A 1 91 ? 0.581 -32.810 -1.797 1.00 0.00 ? 91 HIS A ND1 19 ATOM 28904 C CD2 . HIS A 1 91 ? 2.594 -32.087 -1.357 1.00 0.00 ? 91 HIS A CD2 19 ATOM 28905 C CE1 . HIS A 1 91 ? 1.415 -33.804 -2.042 1.00 0.00 ? 91 HIS A CE1 19 ATOM 28906 N NE2 . HIS A 1 91 ? 2.643 -33.391 -1.784 1.00 0.00 ? 91 HIS A NE2 19 ATOM 28907 H H . HIS A 1 91 ? 1.008 -27.263 -1.410 1.00 0.00 ? 91 HIS A H 19 ATOM 28908 H HA . HIS A 1 91 ? 1.976 -29.188 -2.142 1.00 0.00 ? 91 HIS A HA 19 ATOM 28909 H HB2 . HIS A 1 91 ? 1.028 -30.113 -0.030 1.00 0.00 ? 91 HIS A HB2 19 ATOM 28910 H HB3 . HIS A 1 91 ? -0.418 -30.577 -0.922 1.00 0.00 ? 91 HIS A HB3 19 ATOM 28911 H HD1 . HIS A 1 91 ? -0.391 -32.854 -1.907 1.00 0.00 ? 91 HIS A HD1 19 ATOM 28912 H HD2 . HIS A 1 91 ? 3.437 -31.474 -1.071 1.00 0.00 ? 91 HIS A HD2 19 ATOM 28913 H HE1 . HIS A 1 91 ? 1.141 -34.787 -2.395 1.00 0.00 ? 91 HIS A HE1 19 ATOM 28914 H HE2 . HIS A 1 91 ? 3.443 -33.956 -1.800 1.00 0.00 ? 91 HIS A HE2 19 ATOM 28915 N N . SER A 1 92 ? 0.136 -28.638 -4.208 1.00 0.00 ? 92 SER A N 19 ATOM 28916 C CA . SER A 1 92 ? -0.462 -28.837 -5.523 1.00 0.00 ? 92 SER A CA 19 ATOM 28917 C C . SER A 1 92 ? 0.139 -30.058 -6.213 1.00 0.00 ? 92 SER A C 19 ATOM 28918 O O . SER A 1 92 ? -0.541 -31.060 -6.429 1.00 0.00 ? 92 SER A O 19 ATOM 28919 C CB . SER A 1 92 ? -0.260 -27.594 -6.392 1.00 0.00 ? 92 SER A CB 19 ATOM 28920 O OG . SER A 1 92 ? -1.096 -26.533 -5.965 1.00 0.00 ? 92 SER A OG 19 ATOM 28921 H H . SER A 1 92 ? 0.442 -27.742 -3.952 1.00 0.00 ? 92 SER A H 19 ATOM 28922 H HA . SER A 1 92 ? -1.520 -29.001 -5.384 1.00 0.00 ? 92 SER A HA 19 ATOM 28923 H HB2 . SER A 1 92 ? 0.769 -27.275 -6.325 1.00 0.00 ? 92 SER A HB2 19 ATOM 28924 H HB3 . SER A 1 92 ? -0.498 -27.834 -7.418 1.00 0.00 ? 92 SER A HB3 19 ATOM 28925 H HG . SER A 1 92 ? -1.281 -25.952 -6.707 1.00 0.00 ? 92 SER A HG 19 ATOM 28926 N N . GLY A 1 93 ? 1.420 -29.964 -6.558 1.00 0.00 ? 93 GLY A N 19 ATOM 28927 C CA . GLY A 1 93 ? 2.092 -31.067 -7.221 1.00 0.00 ? 93 GLY A CA 19 ATOM 28928 C C . GLY A 1 93 ? 3.447 -31.370 -6.613 1.00 0.00 ? 93 GLY A C 19 ATOM 28929 O O . GLY A 1 93 ? 4.156 -30.477 -6.149 1.00 0.00 ? 93 GLY A O 19 ATOM 28930 H H . GLY A 1 93 ? 1.912 -29.140 -6.360 1.00 0.00 ? 93 GLY A H 19 ATOM 28931 H HA2 . GLY A 1 93 ? 1.471 -31.948 -7.149 1.00 0.00 ? 93 GLY A HA2 19 ATOM 28932 H HA3 . GLY A 1 93 ? 2.225 -30.817 -8.263 1.00 0.00 ? 93 GLY A HA3 19 ATOM 28933 N N . PRO A 1 94 ? 3.823 -32.657 -6.609 1.00 0.00 ? 94 PRO A N 19 ATOM 28934 C CA . PRO A 1 94 ? 5.105 -33.105 -6.055 1.00 0.00 ? 94 PRO A CA 19 ATOM 28935 C C . PRO A 1 94 ? 6.291 -32.659 -6.903 1.00 0.00 ? 94 PRO A C 19 ATOM 28936 O O . PRO A 1 94 ? 6.152 -32.416 -8.101 1.00 0.00 ? 94 PRO A O 19 ATOM 28937 C CB . PRO A 1 94 ? 4.982 -34.631 -6.067 1.00 0.00 ? 94 PRO A CB 19 ATOM 28938 C CG . PRO A 1 94 ? 3.998 -34.923 -7.147 1.00 0.00 ? 94 PRO A CG 19 ATOM 28939 C CD . PRO A 1 94 ? 3.028 -33.774 -7.145 1.00 0.00 ? 94 PRO A CD 19 ATOM 28940 H HA . PRO A 1 94 ? 5.240 -32.761 -5.039 1.00 0.00 ? 94 PRO A HA 19 ATOM 28941 H HB2 . PRO A 1 94 ? 5.947 -35.070 -6.281 1.00 0.00 ? 94 PRO A HB2 19 ATOM 28942 H HB3 . PRO A 1 94 ? 4.628 -34.975 -5.107 1.00 0.00 ? 94 PRO A HB3 19 ATOM 28943 H HG2 . PRO A 1 94 ? 4.504 -34.985 -8.098 1.00 0.00 ? 94 PRO A HG2 19 ATOM 28944 H HG3 . PRO A 1 94 ? 3.483 -35.848 -6.933 1.00 0.00 ? 94 PRO A HG3 19 ATOM 28945 H HD2 . PRO A 1 94 ? 2.693 -33.562 -8.149 1.00 0.00 ? 94 PRO A HD2 19 ATOM 28946 H HD3 . PRO A 1 94 ? 2.187 -33.991 -6.503 1.00 0.00 ? 94 PRO A HD3 19 ATOM 28947 N N . SER A 1 95 ? 7.456 -32.553 -6.273 1.00 0.00 ? 95 SER A N 19 ATOM 28948 C CA . SER A 1 95 ? 8.666 -32.133 -6.970 1.00 0.00 ? 95 SER A CA 19 ATOM 28949 C C . SER A 1 95 ? 8.472 -30.766 -7.620 1.00 0.00 ? 95 SER A C 19 ATOM 28950 O O . SER A 1 95 ? 8.891 -30.542 -8.755 1.00 0.00 ? 95 SER A O 19 ATOM 28951 C CB . SER A 1 95 ? 9.054 -33.165 -8.031 1.00 0.00 ? 95 SER A CB 19 ATOM 28952 O OG . SER A 1 95 ? 10.331 -32.881 -8.575 1.00 0.00 ? 95 SER A OG 19 ATOM 28953 H H . SER A 1 95 ? 7.503 -32.761 -5.316 1.00 0.00 ? 95 SER A H 19 ATOM 28954 H HA . SER A 1 95 ? 9.461 -32.062 -6.241 1.00 0.00 ? 95 SER A HA 19 ATOM 28955 H HB2 . SER A 1 95 ? 9.076 -34.146 -7.583 1.00 0.00 ? 95 SER A HB2 19 ATOM 28956 H HB3 . SER A 1 95 ? 8.324 -33.149 -8.827 1.00 0.00 ? 95 SER A HB3 19 ATOM 28957 H HG . SER A 1 95 ? 10.680 -33.668 -9.000 1.00 0.00 ? 95 SER A HG 19 ATOM 28958 N N . SER A 1 96 ? 7.833 -29.857 -6.891 1.00 0.00 ? 96 SER A N 19 ATOM 28959 C CA . SER A 1 96 ? 7.579 -28.513 -7.397 1.00 0.00 ? 96 SER A CA 19 ATOM 28960 C C . SER A 1 96 ? 6.679 -28.557 -8.628 1.00 0.00 ? 96 SER A C 19 ATOM 28961 O O . SER A 1 96 ? 6.990 -27.963 -9.660 1.00 0.00 ? 96 SER A O 19 ATOM 28962 C CB . SER A 1 96 ? 8.897 -27.816 -7.739 1.00 0.00 ? 96 SER A CB 19 ATOM 28963 O OG . SER A 1 96 ? 8.774 -26.409 -7.628 1.00 0.00 ? 96 SER A OG 19 ATOM 28964 H H . SER A 1 96 ? 7.523 -30.096 -5.992 1.00 0.00 ? 96 SER A H 19 ATOM 28965 H HA . SER A 1 96 ? 7.078 -27.955 -6.619 1.00 0.00 ? 96 SER A HA 19 ATOM 28966 H HB2 . SER A 1 96 ? 9.666 -28.153 -7.061 1.00 0.00 ? 96 SER A HB2 19 ATOM 28967 H HB3 . SER A 1 96 ? 9.178 -28.062 -8.753 1.00 0.00 ? 96 SER A HB3 19 ATOM 28968 H HG . SER A 1 96 ? 8.931 -26.145 -6.718 1.00 0.00 ? 96 SER A HG 19 ATOM 28969 N N . GLY A 1 97 ? 5.561 -29.267 -8.511 1.00 0.00 ? 97 GLY A N 19 ATOM 28970 C CA . GLY A 1 97 ? 4.632 -29.377 -9.621 1.00 0.00 ? 97 GLY A CA 19 ATOM 28971 C C . GLY A 1 97 ? 4.045 -30.768 -9.750 1.00 0.00 ? 97 GLY A C 19 ATOM 28972 O O . GLY A 1 97 ? 4.345 -31.490 -10.701 1.00 0.00 ? 97 GLY A O 19 ATOM 28973 H H . GLY A 1 97 ? 5.365 -29.719 -7.664 1.00 0.00 ? 97 GLY A H 19 ATOM 28974 H HA2 . GLY A 1 97 ? 3.828 -28.670 -9.475 1.00 0.00 ? 97 GLY A HA2 19 ATOM 28975 H HA3 . GLY A 1 97 ? 5.152 -29.131 -10.535 1.00 0.00 ? 97 GLY A HA3 19 ATOM 28976 N N . GLY A 1 1 ? 2.240 25.238 21.021 1.00 0.00 ? 1 GLY A N 20 ATOM 28977 C CA . GLY A 1 1 ? 1.029 24.440 20.969 1.00 0.00 ? 1 GLY A CA 20 ATOM 28978 C C . GLY A 1 1 ? 0.010 24.995 19.993 1.00 0.00 ? 1 GLY A C 20 ATOM 28979 O O . GLY A 1 1 ? -0.855 25.784 20.371 1.00 0.00 ? 1 GLY A O 20 ATOM 28980 H H1 . GLY A 1 1 ? 2.188 26.211 20.917 1.00 0.00 ? 1 GLY A H1 20 ATOM 28981 H HA2 . GLY A 1 1 ? 1.286 23.434 20.672 1.00 0.00 ? 1 GLY A HA2 20 ATOM 28982 H HA3 . GLY A 1 1 ? 0.587 24.411 21.954 1.00 0.00 ? 1 GLY A HA3 20 ATOM 28983 N N . SER A 1 2 ? 0.114 24.583 18.733 1.00 0.00 ? 2 SER A N 20 ATOM 28984 C CA . SER A 1 2 ? -0.802 25.048 17.699 1.00 0.00 ? 2 SER A CA 20 ATOM 28985 C C . SER A 1 2 ? -1.809 23.961 17.336 1.00 0.00 ? 2 SER A C 20 ATOM 28986 O O . SER A 1 2 ? -1.482 22.775 17.325 1.00 0.00 ? 2 SER A O 20 ATOM 28987 C CB . SER A 1 2 ? -0.024 25.475 16.453 1.00 0.00 ? 2 SER A CB 20 ATOM 28988 O OG . SER A 1 2 ? 0.694 24.384 15.902 1.00 0.00 ? 2 SER A OG 20 ATOM 28989 H H . SER A 1 2 ? 0.826 23.952 18.494 1.00 0.00 ? 2 SER A H 20 ATOM 28990 H HA . SER A 1 2 ? -1.336 25.902 18.089 1.00 0.00 ? 2 SER A HA 20 ATOM 28991 H HB2 . SER A 1 2 ? -0.713 25.847 15.711 1.00 0.00 ? 2 SER A HB2 20 ATOM 28992 H HB3 . SER A 1 2 ? 0.676 26.254 16.718 1.00 0.00 ? 2 SER A HB3 20 ATOM 28993 H HG . SER A 1 2 ? 1.235 23.979 16.584 1.00 0.00 ? 2 SER A HG 20 ATOM 28994 N N . SER A 1 3 ? -3.037 24.376 17.039 1.00 0.00 ? 3 SER A N 20 ATOM 28995 C CA . SER A 1 3 ? -4.094 23.438 16.680 1.00 0.00 ? 3 SER A CA 20 ATOM 28996 C C . SER A 1 3 ? -4.915 23.969 15.508 1.00 0.00 ? 3 SER A C 20 ATOM 28997 O O . SER A 1 3 ? -5.059 25.178 15.333 1.00 0.00 ? 3 SER A O 20 ATOM 28998 C CB . SER A 1 3 ? -5.006 23.180 17.880 1.00 0.00 ? 3 SER A CB 20 ATOM 28999 O OG . SER A 1 3 ? -5.928 22.139 17.606 1.00 0.00 ? 3 SER A OG 20 ATOM 29000 H H . SER A 1 3 ? -3.236 25.335 17.066 1.00 0.00 ? 3 SER A H 20 ATOM 29001 H HA . SER A 1 3 ? -3.628 22.509 16.386 1.00 0.00 ? 3 SER A HA 20 ATOM 29002 H HB2 . SER A 1 3 ? -4.406 22.897 18.731 1.00 0.00 ? 3 SER A HB2 20 ATOM 29003 H HB3 . SER A 1 3 ? -5.556 24.081 18.111 1.00 0.00 ? 3 SER A HB3 20 ATOM 29004 H HG . SER A 1 3 ? -5.622 21.325 18.012 1.00 0.00 ? 3 SER A HG 20 ATOM 29005 N N . GLY A 1 4 ? -5.451 23.053 14.706 1.00 0.00 ? 4 GLY A N 20 ATOM 29006 C CA . GLY A 1 4 ? -6.251 23.447 13.561 1.00 0.00 ? 4 GLY A CA 20 ATOM 29007 C C . GLY A 1 4 ? -5.727 22.867 12.262 1.00 0.00 ? 4 GLY A C 20 ATOM 29008 O O . GLY A 1 4 ? -4.942 21.919 12.269 1.00 0.00 ? 4 GLY A O 20 ATOM 29009 H H . GLY A 1 4 ? -5.303 22.103 14.895 1.00 0.00 ? 4 GLY A H 20 ATOM 29010 H HA2 . GLY A 1 4 ? -7.265 23.109 13.711 1.00 0.00 ? 4 GLY A HA2 20 ATOM 29011 H HA3 . GLY A 1 4 ? -6.247 24.524 13.488 1.00 0.00 ? 4 GLY A HA3 20 ATOM 29012 N N . SER A 1 5 ? -6.164 23.436 11.143 1.00 0.00 ? 5 SER A N 20 ATOM 29013 C CA . SER A 1 5 ? -5.739 22.966 9.830 1.00 0.00 ? 5 SER A CA 20 ATOM 29014 C C . SER A 1 5 ? -4.593 23.818 9.293 1.00 0.00 ? 5 SER A C 20 ATOM 29015 O O . SER A 1 5 ? -4.640 25.047 9.345 1.00 0.00 ? 5 SER A O 20 ATOM 29016 C CB . SER A 1 5 ? -6.913 22.995 8.850 1.00 0.00 ? 5 SER A CB 20 ATOM 29017 O OG . SER A 1 5 ? -7.076 24.286 8.286 1.00 0.00 ? 5 SER A OG 20 ATOM 29018 H H . SER A 1 5 ? -6.790 24.189 11.203 1.00 0.00 ? 5 SER A H 20 ATOM 29019 H HA . SER A 1 5 ? -5.396 21.948 9.937 1.00 0.00 ? 5 SER A HA 20 ATOM 29020 H HB2 . SER A 1 5 ? -6.733 22.289 8.054 1.00 0.00 ? 5 SER A HB2 20 ATOM 29021 H HB3 . SER A 1 5 ? -7.821 22.726 9.371 1.00 0.00 ? 5 SER A HB3 20 ATOM 29022 H HG . SER A 1 5 ? -6.781 24.276 7.373 1.00 0.00 ? 5 SER A HG 20 ATOM 29023 N N . SER A 1 6 ? -3.563 23.155 8.777 1.00 0.00 ? 6 SER A N 20 ATOM 29024 C CA . SER A 1 6 ? -2.401 23.849 8.234 1.00 0.00 ? 6 SER A CA 20 ATOM 29025 C C . SER A 1 6 ? -1.505 22.886 7.461 1.00 0.00 ? 6 SER A C 20 ATOM 29026 O O . SER A 1 6 ? -0.953 21.944 8.027 1.00 0.00 ? 6 SER A O 20 ATOM 29027 C CB . SER A 1 6 ? -1.605 24.513 9.359 1.00 0.00 ? 6 SER A CB 20 ATOM 29028 O OG . SER A 1 6 ? -1.319 23.589 10.395 1.00 0.00 ? 6 SER A OG 20 ATOM 29029 H H . SER A 1 6 ? -3.584 22.175 8.764 1.00 0.00 ? 6 SER A H 20 ATOM 29030 H HA . SER A 1 6 ? -2.758 24.612 7.558 1.00 0.00 ? 6 SER A HA 20 ATOM 29031 H HB2 . SER A 1 6 ? -0.675 24.892 8.963 1.00 0.00 ? 6 SER A HB2 20 ATOM 29032 H HB3 . SER A 1 6 ? -2.181 25.330 9.770 1.00 0.00 ? 6 SER A HB3 20 ATOM 29033 H HG . SER A 1 6 ? -0.407 23.695 10.675 1.00 0.00 ? 6 SER A HG 20 ATOM 29034 N N . GLY A 1 7 ? -1.366 23.131 6.161 1.00 0.00 ? 7 GLY A N 20 ATOM 29035 C CA . GLY A 1 7 ? -0.537 22.279 5.330 1.00 0.00 ? 7 GLY A CA 20 ATOM 29036 C C . GLY A 1 7 ? -1.024 22.216 3.896 1.00 0.00 ? 7 GLY A C 20 ATOM 29037 O O . GLY A 1 7 ? -0.967 23.208 3.171 1.00 0.00 ? 7 GLY A O 20 ATOM 29038 H H . GLY A 1 7 ? -1.830 23.898 5.764 1.00 0.00 ? 7 GLY A H 20 ATOM 29039 H HA2 . GLY A 1 7 ? 0.474 22.658 5.340 1.00 0.00 ? 7 GLY A HA2 20 ATOM 29040 H HA3 . GLY A 1 7 ? -0.540 21.280 5.743 1.00 0.00 ? 7 GLY A HA3 20 ATOM 29041 N N . MET A 1 8 ? -1.501 21.045 3.486 1.00 0.00 ? 8 MET A N 20 ATOM 29042 C CA . MET A 1 8 ? -2.000 20.857 2.128 1.00 0.00 ? 8 MET A CA 20 ATOM 29043 C C . MET A 1 8 ? -3.525 20.865 2.103 1.00 0.00 ? 8 MET A C 20 ATOM 29044 O O . MET A 1 8 ? -4.139 21.753 1.512 1.00 0.00 ? 8 MET A O 20 ATOM 29045 C CB . MET A 1 8 ? -1.476 19.542 1.547 1.00 0.00 ? 8 MET A CB 20 ATOM 29046 C CG . MET A 1 8 ? -0.148 19.685 0.822 1.00 0.00 ? 8 MET A CG 20 ATOM 29047 S SD . MET A 1 8 ? -0.226 20.860 -0.545 1.00 0.00 ? 8 MET A SD 20 ATOM 29048 C CE . MET A 1 8 ? 1.157 20.311 -1.542 1.00 0.00 ? 8 MET A CE 20 ATOM 29049 H H . MET A 1 8 ? -1.521 20.290 4.111 1.00 0.00 ? 8 MET A H 20 ATOM 29050 H HA . MET A 1 8 ? -1.637 21.676 1.526 1.00 0.00 ? 8 MET A HA 20 ATOM 29051 H HB2 . MET A 1 8 ? -1.347 18.833 2.351 1.00 0.00 ? 8 MET A HB2 20 ATOM 29052 H HB3 . MET A 1 8 ? -2.203 19.156 0.849 1.00 0.00 ? 8 MET A HB3 20 ATOM 29053 H HG2 . MET A 1 8 ? 0.598 20.024 1.525 1.00 0.00 ? 8 MET A HG2 20 ATOM 29054 H HG3 . MET A 1 8 ? 0.140 18.720 0.433 1.00 0.00 ? 8 MET A HG3 20 ATOM 29055 H HE1 . MET A 1 8 ? 1.951 19.964 -0.897 1.00 0.00 ? 8 MET A HE1 20 ATOM 29056 H HE2 . MET A 1 8 ? 0.838 19.506 -2.187 1.00 0.00 ? 8 MET A HE2 20 ATOM 29057 H HE3 . MET A 1 8 ? 1.515 21.134 -2.143 1.00 0.00 ? 8 MET A HE3 20 ATOM 29058 N N . GLU A 1 9 ? -4.129 19.872 2.747 1.00 0.00 ? 9 GLU A N 20 ATOM 29059 C CA . GLU A 1 9 ? -5.582 19.766 2.796 1.00 0.00 ? 9 GLU A CA 20 ATOM 29060 C C . GLU A 1 9 ? -6.166 19.633 1.393 1.00 0.00 ? 9 GLU A C 20 ATOM 29061 O O . GLU A 1 9 ? -7.165 20.270 1.061 1.00 0.00 ? 9 GLU A O 20 ATOM 29062 C CB . GLU A 1 9 ? -6.181 20.987 3.496 1.00 0.00 ? 9 GLU A CB 20 ATOM 29063 C CG . GLU A 1 9 ? -5.734 21.142 4.940 1.00 0.00 ? 9 GLU A CG 20 ATOM 29064 C CD . GLU A 1 9 ? -6.096 22.494 5.522 1.00 0.00 ? 9 GLU A CD 20 ATOM 29065 O OE1 . GLU A 1 9 ? -7.295 22.728 5.779 1.00 0.00 ? 9 GLU A OE1 20 ATOM 29066 O OE2 . GLU A 1 9 ? -5.179 23.319 5.719 1.00 0.00 ? 9 GLU A OE2 20 ATOM 29067 H H . GLU A 1 9 ? -3.584 19.194 3.199 1.00 0.00 ? 9 GLU A H 20 ATOM 29068 H HA . GLU A 1 9 ? -5.831 18.880 3.362 1.00 0.00 ? 9 GLU A HA 20 ATOM 29069 H HB2 . GLU A 1 9 ? -5.893 21.875 2.954 1.00 0.00 ? 9 GLU A HB2 20 ATOM 29070 H HB3 . GLU A 1 9 ? -7.258 20.902 3.483 1.00 0.00 ? 9 GLU A HB3 20 ATOM 29071 H HG2 . GLU A 1 9 ? -6.206 20.374 5.534 1.00 0.00 ? 9 GLU A HG2 20 ATOM 29072 H HG3 . GLU A 1 9 ? -4.661 21.022 4.986 1.00 0.00 ? 9 GLU A HG3 20 ATOM 29073 N N . GLY A 1 10 ? -5.533 18.801 0.571 1.00 0.00 ? 10 GLY A N 20 ATOM 29074 C CA . GLY A 1 10 ? -6.003 18.600 -0.787 1.00 0.00 ? 10 GLY A CA 20 ATOM 29075 C C . GLY A 1 10 ? -5.499 17.303 -1.389 1.00 0.00 ? 10 GLY A C 20 ATOM 29076 O O . GLY A 1 10 ? -6.206 16.296 -1.429 1.00 0.00 ? 10 GLY A O 20 ATOM 29077 H H . GLY A 1 10 ? -4.741 18.320 0.890 1.00 0.00 ? 10 GLY A H 20 ATOM 29078 H HA2 . GLY A 1 10 ? -7.082 18.588 -0.786 1.00 0.00 ? 10 GLY A HA2 20 ATOM 29079 H HA3 . GLY A 1 10 ? -5.663 19.423 -1.399 1.00 0.00 ? 10 GLY A HA3 20 ATOM 29080 N N . PRO A 1 11 ? -4.248 17.317 -1.873 1.00 0.00 ? 11 PRO A N 20 ATOM 29081 C CA . PRO A 1 11 ? -3.622 16.142 -2.486 1.00 0.00 ? 11 PRO A CA 20 ATOM 29082 C C . PRO A 1 11 ? -3.320 15.048 -1.466 1.00 0.00 ? 11 PRO A C 20 ATOM 29083 O O . PRO A 1 11 ? -2.877 13.956 -1.825 1.00 0.00 ? 11 PRO A O 20 ATOM 29084 C CB . PRO A 1 11 ? -2.323 16.697 -3.075 1.00 0.00 ? 11 PRO A CB 20 ATOM 29085 C CG . PRO A 1 11 ? -2.017 17.900 -2.250 1.00 0.00 ? 11 PRO A CG 20 ATOM 29086 C CD . PRO A 1 11 ? -3.347 18.483 -1.858 1.00 0.00 ? 11 PRO A CD 20 ATOM 29087 H HA . PRO A 1 11 ? -4.234 15.735 -3.278 1.00 0.00 ? 11 PRO A HA 20 ATOM 29088 H HB2 . PRO A 1 11 ? -1.542 15.954 -2.995 1.00 0.00 ? 11 PRO A HB2 20 ATOM 29089 H HB3 . PRO A 1 11 ? -2.476 16.958 -4.111 1.00 0.00 ? 11 PRO A HB3 20 ATOM 29090 H HG2 . PRO A 1 11 ? -1.461 17.611 -1.371 1.00 0.00 ? 11 PRO A HG2 20 ATOM 29091 H HG3 . PRO A 1 11 ? -1.454 18.612 -2.835 1.00 0.00 ? 11 PRO A HG3 20 ATOM 29092 H HD2 . PRO A 1 11 ? -3.293 18.916 -0.871 1.00 0.00 ? 11 PRO A HD2 20 ATOM 29093 H HD3 . PRO A 1 11 ? -3.663 19.222 -2.580 1.00 0.00 ? 11 PRO A HD3 20 ATOM 29094 N N . LEU A 1 12 ? -3.563 15.348 -0.195 1.00 0.00 ? 12 LEU A N 20 ATOM 29095 C CA . LEU A 1 12 ? -3.317 14.390 0.877 1.00 0.00 ? 12 LEU A CA 20 ATOM 29096 C C . LEU A 1 12 ? -4.427 13.345 0.939 1.00 0.00 ? 12 LEU A C 20 ATOM 29097 O O . LEU A 1 12 ? -4.162 12.144 0.962 1.00 0.00 ? 12 LEU A O 20 ATOM 29098 C CB . LEU A 1 12 ? -3.208 15.114 2.220 1.00 0.00 ? 12 LEU A CB 20 ATOM 29099 C CG . LEU A 1 12 ? -1.885 15.834 2.489 1.00 0.00 ? 12 LEU A CG 20 ATOM 29100 C CD1 . LEU A 1 12 ? -2.007 16.737 3.706 1.00 0.00 ? 12 LEU A CD1 20 ATOM 29101 C CD2 . LEU A 1 12 ? -0.760 14.827 2.679 1.00 0.00 ? 12 LEU A CD2 20 ATOM 29102 H H . LEU A 1 12 ? -3.915 16.234 0.029 1.00 0.00 ? 12 LEU A H 20 ATOM 29103 H HA . LEU A 1 12 ? -2.382 13.892 0.669 1.00 0.00 ? 12 LEU A HA 20 ATOM 29104 H HB2 . LEU A 1 12 ? -3.998 15.848 2.265 1.00 0.00 ? 12 LEU A HB2 20 ATOM 29105 H HB3 . LEU A 1 12 ? -3.353 14.383 3.002 1.00 0.00 ? 12 LEU A HB3 20 ATOM 29106 H HG . LEU A 1 12 ? -1.640 16.454 1.637 1.00 0.00 ? 12 LEU A HG 20 ATOM 29107 H HD11 . LEU A 1 12 ? -1.075 17.259 3.862 1.00 0.00 ? 12 LEU A HD11 20 ATOM 29108 H HD12 . LEU A 1 12 ? -2.234 16.139 4.577 1.00 0.00 ? 12 LEU A HD12 20 ATOM 29109 H HD13 . LEU A 1 12 ? -2.799 17.453 3.545 1.00 0.00 ? 12 LEU A HD13 20 ATOM 29110 H HD21 . LEU A 1 12 ? 0.165 15.249 2.315 1.00 0.00 ? 12 LEU A HD21 20 ATOM 29111 H HD22 . LEU A 1 12 ? -0.986 13.926 2.128 1.00 0.00 ? 12 LEU A HD22 20 ATOM 29112 H HD23 . LEU A 1 12 ? -0.660 14.593 3.729 1.00 0.00 ? 12 LEU A HD23 20 ATOM 29113 N N . ASN A 1 13 ? -5.671 13.812 0.964 1.00 0.00 ? 13 ASN A N 20 ATOM 29114 C CA . ASN A 1 13 ? -6.822 12.918 1.021 1.00 0.00 ? 13 ASN A CA 20 ATOM 29115 C C . ASN A 1 13 ? -6.746 11.863 -0.078 1.00 0.00 ? 13 ASN A C 20 ATOM 29116 O O . ASN A 1 13 ? -6.912 10.670 0.179 1.00 0.00 ? 13 ASN A O 20 ATOM 29117 C CB . ASN A 1 13 ? -8.121 13.716 0.888 1.00 0.00 ? 13 ASN A CB 20 ATOM 29118 C CG . ASN A 1 13 ? -9.321 12.959 1.422 1.00 0.00 ? 13 ASN A CG 20 ATOM 29119 O OD1 . ASN A 1 13 ? -9.353 12.566 2.589 1.00 0.00 ? 13 ASN A OD1 20 ATOM 29120 N ND2 . ASN A 1 13 ? -10.317 12.751 0.569 1.00 0.00 ? 13 ASN A ND2 20 ATOM 29121 H H . ASN A 1 13 ? -5.819 14.781 0.943 1.00 0.00 ? 13 ASN A H 20 ATOM 29122 H HA . ASN A 1 13 ? -6.810 12.424 1.980 1.00 0.00 ? 13 ASN A HA 20 ATOM 29123 H HB2 . ASN A 1 13 ? -8.027 14.639 1.441 1.00 0.00 ? 13 ASN A HB2 20 ATOM 29124 H HB3 . ASN A 1 13 ? -8.294 13.940 -0.154 1.00 0.00 ? 13 ASN A HB3 20 ATOM 29125 H HD21 . ASN A 1 13 ? -10.223 13.092 -0.345 1.00 0.00 ? 13 ASN A HD21 20 ATOM 29126 H HD22 . ASN A 1 13 ? -11.106 12.265 0.888 1.00 0.00 ? 13 ASN A HD22 20 ATOM 29127 N N . LEU A 1 14 ? -6.492 12.309 -1.303 1.00 0.00 ? 14 LEU A N 20 ATOM 29128 C CA . LEU A 1 14 ? -6.393 11.403 -2.443 1.00 0.00 ? 14 LEU A CA 20 ATOM 29129 C C . LEU A 1 14 ? -5.475 10.228 -2.125 1.00 0.00 ? 14 LEU A C 20 ATOM 29130 O O . LEU A 1 14 ? -5.817 9.074 -2.380 1.00 0.00 ? 14 LEU A O 20 ATOM 29131 C CB . LEU A 1 14 ? -5.875 12.153 -3.671 1.00 0.00 ? 14 LEU A CB 20 ATOM 29132 C CG . LEU A 1 14 ? -6.938 12.795 -4.564 1.00 0.00 ? 14 LEU A CG 20 ATOM 29133 C CD1 . LEU A 1 14 ? -6.287 13.652 -5.638 1.00 0.00 ? 14 LEU A CD1 20 ATOM 29134 C CD2 . LEU A 1 14 ? -7.821 11.727 -5.193 1.00 0.00 ? 14 LEU A CD2 20 ATOM 29135 H H . LEU A 1 14 ? -6.369 13.270 -1.446 1.00 0.00 ? 14 LEU A H 20 ATOM 29136 H HA . LEU A 1 14 ? -7.383 11.025 -2.652 1.00 0.00 ? 14 LEU A HA 20 ATOM 29137 H HB2 . LEU A 1 14 ? -5.216 12.935 -3.328 1.00 0.00 ? 14 LEU A HB2 20 ATOM 29138 H HB3 . LEU A 1 14 ? -5.315 11.451 -4.274 1.00 0.00 ? 14 LEU A HB3 20 ATOM 29139 H HG . LEU A 1 14 ? -7.566 13.436 -3.961 1.00 0.00 ? 14 LEU A HG 20 ATOM 29140 H HD11 . LEU A 1 14 ? -7.039 14.254 -6.123 1.00 0.00 ? 14 LEU A HD11 20 ATOM 29141 H HD12 . LEU A 1 14 ? -5.810 13.014 -6.367 1.00 0.00 ? 14 LEU A HD12 20 ATOM 29142 H HD13 . LEU A 1 14 ? -5.546 14.295 -5.185 1.00 0.00 ? 14 LEU A HD13 20 ATOM 29143 H HD21 . LEU A 1 14 ? -7.766 11.804 -6.269 1.00 0.00 ? 14 LEU A HD21 20 ATOM 29144 H HD22 . LEU A 1 14 ? -8.843 11.871 -4.874 1.00 0.00 ? 14 LEU A HD22 20 ATOM 29145 H HD23 . LEU A 1 14 ? -7.481 10.750 -4.884 1.00 0.00 ? 14 LEU A HD23 20 ATOM 29146 N N . ALA A 1 15 ? -4.308 10.530 -1.565 1.00 0.00 ? 15 ALA A N 20 ATOM 29147 C CA . ALA A 1 15 ? -3.342 9.498 -1.208 1.00 0.00 ? 15 ALA A CA 20 ATOM 29148 C C . ALA A 1 15 ? -3.889 8.588 -0.114 1.00 0.00 ? 15 ALA A C 20 ATOM 29149 O O . ALA A 1 15 ? -3.651 7.380 -0.120 1.00 0.00 ? 15 ALA A O 20 ATOM 29150 C CB . ALA A 1 15 ? -2.032 10.132 -0.764 1.00 0.00 ? 15 ALA A CB 20 ATOM 29151 H H . ALA A 1 15 ? -4.092 11.468 -1.386 1.00 0.00 ? 15 ALA A H 20 ATOM 29152 H HA . ALA A 1 15 ? -3.146 8.905 -2.090 1.00 0.00 ? 15 ALA A HA 20 ATOM 29153 H HB1 . ALA A 1 15 ? -2.174 10.617 0.191 1.00 0.00 ? 15 ALA A HB1 20 ATOM 29154 H HB2 . ALA A 1 15 ? -1.275 9.367 -0.671 1.00 0.00 ? 15 ALA A HB2 20 ATOM 29155 H HB3 . ALA A 1 15 ? -1.719 10.861 -1.496 1.00 0.00 ? 15 ALA A HB3 20 ATOM 29156 N N . HIS A 1 16 ? -4.623 9.176 0.826 1.00 0.00 ? 16 HIS A N 20 ATOM 29157 C CA . HIS A 1 16 ? -5.205 8.418 1.928 1.00 0.00 ? 16 HIS A CA 20 ATOM 29158 C C . HIS A 1 16 ? -6.247 7.428 1.416 1.00 0.00 ? 16 HIS A C 20 ATOM 29159 O O . HIS A 1 16 ? -6.276 6.272 1.836 1.00 0.00 ? 16 HIS A O 20 ATOM 29160 C CB . HIS A 1 16 ? -5.840 9.364 2.947 1.00 0.00 ? 16 HIS A CB 20 ATOM 29161 C CG . HIS A 1 16 ? -4.873 10.342 3.541 1.00 0.00 ? 16 HIS A CG 20 ATOM 29162 N ND1 . HIS A 1 16 ? -5.117 11.023 4.714 1.00 0.00 ? 16 HIS A ND1 20 ATOM 29163 C CD2 . HIS A 1 16 ? -3.654 10.750 3.117 1.00 0.00 ? 16 HIS A CD2 20 ATOM 29164 C CE1 . HIS A 1 16 ? -4.091 11.809 4.986 1.00 0.00 ? 16 HIS A CE1 20 ATOM 29165 N NE2 . HIS A 1 16 ? -3.189 11.662 4.032 1.00 0.00 ? 16 HIS A NE2 20 ATOM 29166 H H . HIS A 1 16 ? -4.778 10.142 0.777 1.00 0.00 ? 16 HIS A H 20 ATOM 29167 H HA . HIS A 1 16 ? -4.409 7.868 2.408 1.00 0.00 ? 16 HIS A HA 20 ATOM 29168 H HB2 . HIS A 1 16 ? -6.626 9.927 2.465 1.00 0.00 ? 16 HIS A HB2 20 ATOM 29169 H HB3 . HIS A 1 16 ? -6.263 8.783 3.754 1.00 0.00 ? 16 HIS A HB3 20 ATOM 29170 H HD1 . HIS A 1 16 ? -5.923 10.944 5.265 1.00 0.00 ? 16 HIS A HD1 20 ATOM 29171 H HD2 . HIS A 1 16 ? -3.141 10.420 2.224 1.00 0.00 ? 16 HIS A HD2 20 ATOM 29172 H HE1 . HIS A 1 16 ? -4.003 12.461 5.842 1.00 0.00 ? 16 HIS A HE1 20 ATOM 29173 H HE2 . HIS A 1 16 ? -2.369 12.191 3.944 1.00 0.00 ? 16 HIS A HE2 20 ATOM 29174 N N . GLN A 1 17 ? -7.100 7.891 0.509 1.00 0.00 ? 17 GLN A N 20 ATOM 29175 C CA . GLN A 1 17 ? -8.145 7.046 -0.058 1.00 0.00 ? 17 GLN A CA 20 ATOM 29176 C C . GLN A 1 17 ? -7.583 5.691 -0.473 1.00 0.00 ? 17 GLN A C 20 ATOM 29177 O O . GLN A 1 17 ? -8.169 4.650 -0.177 1.00 0.00 ? 17 GLN A O 20 ATOM 29178 C CB . GLN A 1 17 ? -8.789 7.735 -1.263 1.00 0.00 ? 17 GLN A CB 20 ATOM 29179 C CG . GLN A 1 17 ? -9.864 8.741 -0.885 1.00 0.00 ? 17 GLN A CG 20 ATOM 29180 C CD . GLN A 1 17 ? -10.894 8.934 -1.981 1.00 0.00 ? 17 GLN A CD 20 ATOM 29181 O OE1 . GLN A 1 17 ? -11.615 8.003 -2.342 1.00 0.00 ? 17 GLN A OE1 20 ATOM 29182 N NE2 . GLN A 1 17 ? -10.969 10.146 -2.517 1.00 0.00 ? 17 GLN A NE2 20 ATOM 29183 H H . GLN A 1 17 ? -7.026 8.822 0.214 1.00 0.00 ? 17 GLN A H 20 ATOM 29184 H HA . GLN A 1 17 ? -8.896 6.893 0.701 1.00 0.00 ? 17 GLN A HA 20 ATOM 29185 H HB2 . GLN A 1 17 ? -8.022 8.252 -1.820 1.00 0.00 ? 17 GLN A HB2 20 ATOM 29186 H HB3 . GLN A 1 17 ? -9.237 6.983 -1.895 1.00 0.00 ? 17 GLN A HB3 20 ATOM 29187 H HG2 . GLN A 1 17 ? -10.368 8.394 0.004 1.00 0.00 ? 17 GLN A HG2 20 ATOM 29188 H HG3 . GLN A 1 17 ? -9.393 9.692 -0.682 1.00 0.00 ? 17 GLN A HG3 20 ATOM 29189 H HE21 . GLN A 1 17 ? -10.362 10.839 -2.180 1.00 0.00 ? 17 GLN A HE21 20 ATOM 29190 H HE22 . GLN A 1 17 ? -11.625 10.299 -3.227 1.00 0.00 ? 17 GLN A HE22 20 ATOM 29191 N N . GLN A 1 18 ? -6.445 5.712 -1.159 1.00 0.00 ? 18 GLN A N 20 ATOM 29192 C CA . GLN A 1 18 ? -5.805 4.484 -1.615 1.00 0.00 ? 18 GLN A CA 20 ATOM 29193 C C . GLN A 1 18 ? -5.366 3.627 -0.432 1.00 0.00 ? 18 GLN A C 20 ATOM 29194 O O . GLN A 1 18 ? -5.744 2.460 -0.324 1.00 0.00 ? 18 GLN A O 20 ATOM 29195 C CB . GLN A 1 18 ? -4.600 4.809 -2.499 1.00 0.00 ? 18 GLN A CB 20 ATOM 29196 C CG . GLN A 1 18 ? -4.979 5.274 -3.896 1.00 0.00 ? 18 GLN A CG 20 ATOM 29197 C CD . GLN A 1 18 ? -5.935 4.324 -4.589 1.00 0.00 ? 18 GLN A CD 20 ATOM 29198 O OE1 . GLN A 1 18 ? -7.138 4.332 -4.325 1.00 0.00 ? 18 GLN A OE1 20 ATOM 29199 N NE2 . GLN A 1 18 ? -5.404 3.497 -5.482 1.00 0.00 ? 18 GLN A NE2 20 ATOM 29200 H H . GLN A 1 18 ? -6.026 6.573 -1.364 1.00 0.00 ? 18 GLN A H 20 ATOM 29201 H HA . GLN A 1 18 ? -6.527 3.930 -2.196 1.00 0.00 ? 18 GLN A HA 20 ATOM 29202 H HB2 . GLN A 1 18 ? -4.022 5.589 -2.027 1.00 0.00 ? 18 GLN A HB2 20 ATOM 29203 H HB3 . GLN A 1 18 ? -3.987 3.924 -2.592 1.00 0.00 ? 18 GLN A HB3 20 ATOM 29204 H HG2 . GLN A 1 18 ? -5.449 6.244 -3.824 1.00 0.00 ? 18 GLN A HG2 20 ATOM 29205 H HG3 . GLN A 1 18 ? -4.080 5.355 -4.490 1.00 0.00 ? 18 GLN A HG3 20 ATOM 29206 H HE21 . GLN A 1 18 ? -4.438 3.545 -5.641 1.00 0.00 ? 18 GLN A HE21 20 ATOM 29207 H HE22 . GLN A 1 18 ? -5.999 2.871 -5.944 1.00 0.00 ? 18 GLN A HE22 20 ATOM 29208 N N . SER A 1 19 ? -4.566 4.214 0.452 1.00 0.00 ? 19 SER A N 20 ATOM 29209 C CA . SER A 1 19 ? -4.072 3.503 1.626 1.00 0.00 ? 19 SER A CA 20 ATOM 29210 C C . SER A 1 19 ? -5.143 2.573 2.188 1.00 0.00 ? 19 SER A C 20 ATOM 29211 O O . SER A 1 19 ? -4.861 1.430 2.549 1.00 0.00 ? 19 SER A O 20 ATOM 29212 C CB . SER A 1 19 ? -3.627 4.496 2.701 1.00 0.00 ? 19 SER A CB 20 ATOM 29213 O OG . SER A 1 19 ? -3.272 3.827 3.898 1.00 0.00 ? 19 SER A OG 20 ATOM 29214 H H . SER A 1 19 ? -4.300 5.146 0.311 1.00 0.00 ? 19 SER A H 20 ATOM 29215 H HA . SER A 1 19 ? -3.222 2.911 1.321 1.00 0.00 ? 19 SER A HA 20 ATOM 29216 H HB2 . SER A 1 19 ? -2.772 5.050 2.344 1.00 0.00 ? 19 SER A HB2 20 ATOM 29217 H HB3 . SER A 1 19 ? -4.436 5.181 2.911 1.00 0.00 ? 19 SER A HB3 20 ATOM 29218 H HG . SER A 1 19 ? -3.397 4.418 4.644 1.00 0.00 ? 19 SER A HG 20 ATOM 29219 N N . ARG A 1 20 ? -6.372 3.072 2.260 1.00 0.00 ? 20 ARG A N 20 ATOM 29220 C CA . ARG A 1 20 ? -7.486 2.288 2.780 1.00 0.00 ? 20 ARG A CA 20 ATOM 29221 C C . ARG A 1 20 ? -7.658 0.996 1.986 1.00 0.00 ? 20 ARG A C 20 ATOM 29222 O O . ARG A 1 20 ? -7.694 -0.095 2.557 1.00 0.00 ? 20 ARG A O 20 ATOM 29223 C CB . ARG A 1 20 ? -8.779 3.104 2.732 1.00 0.00 ? 20 ARG A CB 20 ATOM 29224 C CG . ARG A 1 20 ? -8.925 4.081 3.887 1.00 0.00 ? 20 ARG A CG 20 ATOM 29225 C CD . ARG A 1 20 ? -10.360 4.562 4.031 1.00 0.00 ? 20 ARG A CD 20 ATOM 29226 N NE . ARG A 1 20 ? -10.730 5.505 2.979 1.00 0.00 ? 20 ARG A NE 20 ATOM 29227 C CZ . ARG A 1 20 ? -11.985 5.751 2.619 1.00 0.00 ? 20 ARG A CZ 20 ATOM 29228 N NH1 . ARG A 1 20 ? -12.985 5.126 3.225 1.00 0.00 ? 20 ARG A NH1 20 ATOM 29229 N NH2 . ARG A 1 20 ? -12.241 6.623 1.653 1.00 0.00 ? 20 ARG A NH2 20 ATOM 29230 H H . ARG A 1 20 ? -6.534 3.990 1.957 1.00 0.00 ? 20 ARG A H 20 ATOM 29231 H HA . ARG A 1 20 ? -7.266 2.039 3.807 1.00 0.00 ? 20 ARG A HA 20 ATOM 29232 H HB2 . ARG A 1 20 ? -8.802 3.665 1.809 1.00 0.00 ? 20 ARG A HB2 20 ATOM 29233 H HB3 . ARG A 1 20 ? -9.619 2.426 2.753 1.00 0.00 ? 20 ARG A HB3 20 ATOM 29234 H HG2 . ARG A 1 20 ? -8.629 3.590 4.802 1.00 0.00 ? 20 ARG A HG2 20 ATOM 29235 H HG3 . ARG A 1 20 ? -8.285 4.932 3.709 1.00 0.00 ? 20 ARG A HG3 20 ATOM 29236 H HD2 . ARG A 1 20 ? -11.019 3.708 3.983 1.00 0.00 ? 20 ARG A HD2 20 ATOM 29237 H HD3 . ARG A 1 20 ? -10.469 5.046 4.990 1.00 0.00 ? 20 ARG A HD3 20 ATOM 29238 H HE . ARG A 1 20 ? -10.006 5.978 2.518 1.00 0.00 ? 20 ARG A HE 20 ATOM 29239 H HH11 . ARG A 1 20 ? -12.796 4.469 3.954 1.00 0.00 ? 20 ARG A HH11 20 ATOM 29240 H HH12 . ARG A 1 20 ? -13.930 5.314 2.953 1.00 0.00 ? 20 ARG A HH12 20 ATOM 29241 H HH21 . ARG A 1 20 ? -11.489 7.096 1.194 1.00 0.00 ? 20 ARG A HH21 20 ATOM 29242 H HH22 . ARG A 1 20 ? -13.186 6.807 1.383 1.00 0.00 ? 20 ARG A HH22 20 ATOM 29243 N N . ARG A 1 21 ? -7.763 1.126 0.668 1.00 0.00 ? 21 ARG A N 20 ATOM 29244 C CA . ARG A 1 21 ? -7.933 -0.030 -0.203 1.00 0.00 ? 21 ARG A CA 20 ATOM 29245 C C . ARG A 1 21 ? -6.851 -1.073 0.059 1.00 0.00 ? 21 ARG A C 20 ATOM 29246 O O . ARG A 1 21 ? -7.143 -2.254 0.238 1.00 0.00 ? 21 ARG A O 20 ATOM 29247 C CB . ARG A 1 21 ? -7.896 0.401 -1.671 1.00 0.00 ? 21 ARG A CB 20 ATOM 29248 C CG . ARG A 1 21 ? -7.635 -0.745 -2.635 1.00 0.00 ? 21 ARG A CG 20 ATOM 29249 C CD . ARG A 1 21 ? -7.878 -0.326 -4.077 1.00 0.00 ? 21 ARG A CD 20 ATOM 29250 N NE . ARG A 1 21 ? -7.990 -1.476 -4.970 1.00 0.00 ? 21 ARG A NE 20 ATOM 29251 C CZ . ARG A 1 21 ? -7.962 -1.383 -6.295 1.00 0.00 ? 21 ARG A CZ 20 ATOM 29252 N NH1 . ARG A 1 21 ? -7.825 -0.200 -6.877 1.00 0.00 ? 21 ARG A NH1 20 ATOM 29253 N NH2 . ARG A 1 21 ? -8.069 -2.476 -7.040 1.00 0.00 ? 21 ARG A NH2 20 ATOM 29254 H H . ARG A 1 21 ? -7.727 2.022 0.272 1.00 0.00 ? 21 ARG A H 20 ATOM 29255 H HA . ARG A 1 21 ? -8.897 -0.467 0.010 1.00 0.00 ? 21 ARG A HA 20 ATOM 29256 H HB2 . ARG A 1 21 ? -8.845 0.848 -1.927 1.00 0.00 ? 21 ARG A HB2 20 ATOM 29257 H HB3 . ARG A 1 21 ? -7.115 1.135 -1.798 1.00 0.00 ? 21 ARG A HB3 20 ATOM 29258 H HG2 . ARG A 1 21 ? -6.608 -1.062 -2.533 1.00 0.00 ? 21 ARG A HG2 20 ATOM 29259 H HG3 . ARG A 1 21 ? -8.294 -1.565 -2.392 1.00 0.00 ? 21 ARG A HG3 20 ATOM 29260 H HD2 . ARG A 1 21 ? -8.795 0.244 -4.122 1.00 0.00 ? 21 ARG A HD2 20 ATOM 29261 H HD3 . ARG A 1 21 ? -7.055 0.292 -4.401 1.00 0.00 ? 21 ARG A HD3 20 ATOM 29262 H HE . ARG A 1 21 ? -8.091 -2.360 -4.560 1.00 0.00 ? 21 ARG A HE 20 ATOM 29263 H HH11 . ARG A 1 21 ? -7.743 0.625 -6.318 1.00 0.00 ? 21 ARG A HH11 20 ATOM 29264 H HH12 . ARG A 1 21 ? -7.803 -0.133 -7.875 1.00 0.00 ? 21 ARG A HH12 20 ATOM 29265 H HH21 . ARG A 1 21 ? -8.171 -3.370 -6.604 1.00 0.00 ? 21 ARG A HH21 20 ATOM 29266 H HH22 . ARG A 1 21 ? -8.047 -2.405 -8.036 1.00 0.00 ? 21 ARG A HH22 20 ATOM 29267 N N . ALA A 1 22 ? -5.599 -0.626 0.082 1.00 0.00 ? 22 ALA A N 20 ATOM 29268 C CA . ALA A 1 22 ? -4.473 -1.519 0.324 1.00 0.00 ? 22 ALA A CA 20 ATOM 29269 C C . ALA A 1 22 ? -4.747 -2.439 1.509 1.00 0.00 ? 22 ALA A C 20 ATOM 29270 O O . ALA A 1 22 ? -4.658 -3.661 1.393 1.00 0.00 ? 22 ALA A O 20 ATOM 29271 C CB . ALA A 1 22 ? -3.203 -0.716 0.559 1.00 0.00 ? 22 ALA A CB 20 ATOM 29272 H H . ALA A 1 22 ? -5.429 0.328 -0.067 1.00 0.00 ? 22 ALA A H 20 ATOM 29273 H HA . ALA A 1 22 ? -4.330 -2.123 -0.561 1.00 0.00 ? 22 ALA A HA 20 ATOM 29274 H HB1 . ALA A 1 22 ? -3.090 0.015 -0.228 1.00 0.00 ? 22 ALA A HB1 20 ATOM 29275 H HB2 . ALA A 1 22 ? -3.267 -0.212 1.512 1.00 0.00 ? 22 ALA A HB2 20 ATOM 29276 H HB3 . ALA A 1 22 ? -2.352 -1.380 0.559 1.00 0.00 ? 22 ALA A HB3 20 ATOM 29277 N N . ASP A 1 23 ? -5.081 -1.843 2.649 1.00 0.00 ? 23 ASP A N 20 ATOM 29278 C CA . ASP A 1 23 ? -5.368 -2.609 3.856 1.00 0.00 ? 23 ASP A CA 20 ATOM 29279 C C . ASP A 1 23 ? -6.388 -3.707 3.573 1.00 0.00 ? 23 ASP A C 20 ATOM 29280 O O . ASP A 1 23 ? -6.099 -4.893 3.733 1.00 0.00 ? 23 ASP A O 20 ATOM 29281 C CB . ASP A 1 23 ? -5.887 -1.686 4.960 1.00 0.00 ? 23 ASP A CB 20 ATOM 29282 C CG . ASP A 1 23 ? -5.867 -2.347 6.324 1.00 0.00 ? 23 ASP A CG 20 ATOM 29283 O OD1 . ASP A 1 23 ? -4.781 -2.409 6.938 1.00 0.00 ? 23 ASP A OD1 20 ATOM 29284 O OD2 . ASP A 1 23 ? -6.938 -2.802 6.778 1.00 0.00 ? 23 ASP A OD2 20 ATOM 29285 H H . ASP A 1 23 ? -5.135 -0.865 2.679 1.00 0.00 ? 23 ASP A H 20 ATOM 29286 H HA . ASP A 1 23 ? -4.448 -3.067 4.186 1.00 0.00 ? 23 ASP A HA 20 ATOM 29287 H HB2 . ASP A 1 23 ? -5.269 -0.801 5.001 1.00 0.00 ? 23 ASP A HB2 20 ATOM 29288 H HB3 . ASP A 1 23 ? -6.903 -1.400 4.733 1.00 0.00 ? 23 ASP A HB3 20 ATOM 29289 N N . ARG A 1 24 ? -7.583 -3.304 3.152 1.00 0.00 ? 24 ARG A N 20 ATOM 29290 C CA . ARG A 1 24 ? -8.646 -4.254 2.849 1.00 0.00 ? 24 ARG A CA 20 ATOM 29291 C C . ARG A 1 24 ? -8.120 -5.406 1.998 1.00 0.00 ? 24 ARG A C 20 ATOM 29292 O O . ARG A 1 24 ? -8.577 -6.543 2.122 1.00 0.00 ? 24 ARG A O 20 ATOM 29293 C CB . ARG A 1 24 ? -9.795 -3.551 2.122 1.00 0.00 ? 24 ARG A CB 20 ATOM 29294 C CG . ARG A 1 24 ? -10.670 -2.710 3.037 1.00 0.00 ? 24 ARG A CG 20 ATOM 29295 C CD . ARG A 1 24 ? -11.726 -3.557 3.731 1.00 0.00 ? 24 ARG A CD 20 ATOM 29296 N NE . ARG A 1 24 ? -11.208 -4.195 4.939 1.00 0.00 ? 24 ARG A NE 20 ATOM 29297 C CZ . ARG A 1 24 ? -11.934 -4.986 5.720 1.00 0.00 ? 24 ARG A CZ 20 ATOM 29298 N NH1 . ARG A 1 24 ? -13.201 -5.237 5.422 1.00 0.00 ? 24 ARG A NH1 20 ATOM 29299 N NH2 . ARG A 1 24 ? -11.392 -5.529 6.803 1.00 0.00 ? 24 ARG A NH2 20 ATOM 29300 H H . ARG A 1 24 ? -7.753 -2.345 3.044 1.00 0.00 ? 24 ARG A H 20 ATOM 29301 H HA . ARG A 1 24 ? -9.013 -4.651 3.784 1.00 0.00 ? 24 ARG A HA 20 ATOM 29302 H HB2 . ARG A 1 24 ? -9.382 -2.905 1.362 1.00 0.00 ? 24 ARG A HB2 20 ATOM 29303 H HB3 . ARG A 1 24 ? -10.416 -4.297 1.651 1.00 0.00 ? 24 ARG A HB3 20 ATOM 29304 H HG2 . ARG A 1 24 ? -10.049 -2.244 3.787 1.00 0.00 ? 24 ARG A HG2 20 ATOM 29305 H HG3 . ARG A 1 24 ? -11.161 -1.949 2.449 1.00 0.00 ? 24 ARG A HG3 20 ATOM 29306 H HD2 . ARG A 1 24 ? -12.558 -2.924 3.998 1.00 0.00 ? 24 ARG A HD2 20 ATOM 29307 H HD3 . ARG A 1 24 ? -12.061 -4.322 3.046 1.00 0.00 ? 24 ARG A HD3 20 ATOM 29308 H HE . ARG A 1 24 ? -10.274 -4.023 5.178 1.00 0.00 ? 24 ARG A HE 20 ATOM 29309 H HH11 . ARG A 1 24 ? -13.612 -4.830 4.606 1.00 0.00 ? 24 ARG A HH11 20 ATOM 29310 H HH12 . ARG A 1 24 ? -13.745 -5.835 6.011 1.00 0.00 ? 24 ARG A HH12 20 ATOM 29311 H HH21 . ARG A 1 24 ? -10.437 -5.343 7.031 1.00 0.00 ? 24 ARG A HH21 20 ATOM 29312 H HH22 . ARG A 1 24 ? -11.939 -6.125 7.390 1.00 0.00 ? 24 ARG A HH22 20 ATOM 29313 N N . LEU A 1 25 ? -7.159 -5.104 1.133 1.00 0.00 ? 25 LEU A N 20 ATOM 29314 C CA . LEU A 1 25 ? -6.570 -6.114 0.260 1.00 0.00 ? 25 LEU A CA 20 ATOM 29315 C C . LEU A 1 25 ? -5.615 -7.015 1.036 1.00 0.00 ? 25 LEU A C 20 ATOM 29316 O O . LEU A 1 25 ? -5.572 -8.227 0.817 1.00 0.00 ? 25 LEU A O 20 ATOM 29317 C CB . LEU A 1 25 ? -5.829 -5.445 -0.899 1.00 0.00 ? 25 LEU A CB 20 ATOM 29318 C CG . LEU A 1 25 ? -6.705 -4.868 -2.012 1.00 0.00 ? 25 LEU A CG 20 ATOM 29319 C CD1 . LEU A 1 25 ? -5.924 -3.855 -2.834 1.00 0.00 ? 25 LEU A CD1 20 ATOM 29320 C CD2 . LEU A 1 25 ? -7.239 -5.982 -2.901 1.00 0.00 ? 25 LEU A CD2 20 ATOM 29321 H H . LEU A 1 25 ? -6.836 -4.181 1.079 1.00 0.00 ? 25 LEU A H 20 ATOM 29322 H HA . LEU A 1 25 ? -7.373 -6.717 -0.137 1.00 0.00 ? 25 LEU A HA 20 ATOM 29323 H HB2 . LEU A 1 25 ? -5.238 -4.639 -0.493 1.00 0.00 ? 25 LEU A HB2 20 ATOM 29324 H HB3 . LEU A 1 25 ? -5.174 -6.183 -1.341 1.00 0.00 ? 25 LEU A HB3 20 ATOM 29325 H HG . LEU A 1 25 ? -7.549 -4.358 -1.569 1.00 0.00 ? 25 LEU A HG 20 ATOM 29326 H HD11 . LEU A 1 25 ? -6.493 -3.590 -3.713 1.00 0.00 ? 25 LEU A HD11 20 ATOM 29327 H HD12 . LEU A 1 25 ? -4.979 -4.285 -3.133 1.00 0.00 ? 25 LEU A HD12 20 ATOM 29328 H HD13 . LEU A 1 25 ? -5.746 -2.971 -2.240 1.00 0.00 ? 25 LEU A HD13 20 ATOM 29329 H HD21 . LEU A 1 25 ? -8.216 -5.708 -3.272 1.00 0.00 ? 25 LEU A HD21 20 ATOM 29330 H HD22 . LEU A 1 25 ? -7.315 -6.895 -2.329 1.00 0.00 ? 25 LEU A HD22 20 ATOM 29331 H HD23 . LEU A 1 25 ? -6.567 -6.132 -3.733 1.00 0.00 ? 25 LEU A HD23 20 ATOM 29332 N N . LEU A 1 26 ? -4.853 -6.418 1.945 1.00 0.00 ? 26 LEU A N 20 ATOM 29333 C CA . LEU A 1 26 ? -3.900 -7.166 2.757 1.00 0.00 ? 26 LEU A CA 20 ATOM 29334 C C . LEU A 1 26 ? -4.612 -8.222 3.597 1.00 0.00 ? 26 LEU A C 20 ATOM 29335 O O . LEU A 1 26 ? -4.080 -9.308 3.828 1.00 0.00 ? 26 LEU A O 20 ATOM 29336 C CB . LEU A 1 26 ? -3.118 -6.217 3.666 1.00 0.00 ? 26 LEU A CB 20 ATOM 29337 C CG . LEU A 1 26 ? -2.590 -6.818 4.969 1.00 0.00 ? 26 LEU A CG 20 ATOM 29338 C CD1 . LEU A 1 26 ? -1.448 -7.783 4.688 1.00 0.00 ? 26 LEU A CD1 20 ATOM 29339 C CD2 . LEU A 1 26 ? -2.139 -5.719 5.920 1.00 0.00 ? 26 LEU A CD2 20 ATOM 29340 H H . LEU A 1 26 ? -4.933 -5.450 2.075 1.00 0.00 ? 26 LEU A H 20 ATOM 29341 H HA . LEU A 1 26 ? -3.212 -7.661 2.088 1.00 0.00 ? 26 LEU A HA 20 ATOM 29342 H HB2 . LEU A 1 26 ? -2.272 -5.846 3.107 1.00 0.00 ? 26 LEU A HB2 20 ATOM 29343 H HB3 . LEU A 1 26 ? -3.768 -5.393 3.920 1.00 0.00 ? 26 LEU A HB3 20 ATOM 29344 H HG . LEU A 1 26 ? -3.384 -7.373 5.450 1.00 0.00 ? 26 LEU A HG 20 ATOM 29345 H HD11 . LEU A 1 26 ? -0.508 -7.256 4.748 1.00 0.00 ? 26 LEU A HD11 20 ATOM 29346 H HD12 . LEU A 1 26 ? -1.564 -8.200 3.698 1.00 0.00 ? 26 LEU A HD12 20 ATOM 29347 H HD13 . LEU A 1 26 ? -1.462 -8.580 5.417 1.00 0.00 ? 26 LEU A HD13 20 ATOM 29348 H HD21 . LEU A 1 26 ? -1.416 -6.119 6.615 1.00 0.00 ? 26 LEU A HD21 20 ATOM 29349 H HD22 . LEU A 1 26 ? -2.993 -5.343 6.465 1.00 0.00 ? 26 LEU A HD22 20 ATOM 29350 H HD23 . LEU A 1 26 ? -1.691 -4.916 5.354 1.00 0.00 ? 26 LEU A HD23 20 ATOM 29351 N N . ALA A 1 27 ? -5.818 -7.896 4.050 1.00 0.00 ? 27 ALA A N 20 ATOM 29352 C CA . ALA A 1 27 ? -6.604 -8.817 4.861 1.00 0.00 ? 27 ALA A CA 20 ATOM 29353 C C . ALA A 1 27 ? -7.016 -10.044 4.054 1.00 0.00 ? 27 ALA A C 20 ATOM 29354 O O . ALA A 1 27 ? -7.013 -11.164 4.565 1.00 0.00 ? 27 ALA A O 20 ATOM 29355 C CB . ALA A 1 27 ? -7.832 -8.113 5.419 1.00 0.00 ? 27 ALA A CB 20 ATOM 29356 H H . ALA A 1 27 ? -6.188 -7.015 3.833 1.00 0.00 ? 27 ALA A H 20 ATOM 29357 H HA . ALA A 1 27 ? -5.993 -9.135 5.693 1.00 0.00 ? 27 ALA A HA 20 ATOM 29358 H HB1 . ALA A 1 27 ? -7.689 -7.921 6.472 1.00 0.00 ? 27 ALA A HB1 20 ATOM 29359 H HB2 . ALA A 1 27 ? -7.978 -7.178 4.899 1.00 0.00 ? 27 ALA A HB2 20 ATOM 29360 H HB3 . ALA A 1 27 ? -8.700 -8.741 5.282 1.00 0.00 ? 27 ALA A HB3 20 ATOM 29361 N N . ALA A 1 28 ? -7.372 -9.825 2.793 1.00 0.00 ? 28 ALA A N 20 ATOM 29362 C CA . ALA A 1 28 ? -7.785 -10.913 1.915 1.00 0.00 ? 28 ALA A CA 20 ATOM 29363 C C . ALA A 1 28 ? -6.577 -11.638 1.332 1.00 0.00 ? 28 ALA A C 20 ATOM 29364 O O . ALA A 1 28 ? -6.721 -12.561 0.533 1.00 0.00 ? 28 ALA A O 20 ATOM 29365 C CB . ALA A 1 28 ? -8.674 -10.383 0.800 1.00 0.00 ? 28 ALA A CB 20 ATOM 29366 H H . ALA A 1 28 ? -7.354 -8.910 2.443 1.00 0.00 ? 28 ALA A H 20 ATOM 29367 H HA . ALA A 1 28 ? -8.364 -11.613 2.501 1.00 0.00 ? 28 ALA A HA 20 ATOM 29368 H HB1 . ALA A 1 28 ? -8.176 -9.563 0.303 1.00 0.00 ? 28 ALA A HB1 20 ATOM 29369 H HB2 . ALA A 1 28 ? -8.867 -11.172 0.088 1.00 0.00 ? 28 ALA A HB2 20 ATOM 29370 H HB3 . ALA A 1 28 ? -9.608 -10.038 1.217 1.00 0.00 ? 28 ALA A HB3 20 ATOM 29371 N N . GLY A 1 29 ? -5.384 -11.212 1.738 1.00 0.00 ? 29 GLY A N 20 ATOM 29372 C CA . GLY A 1 29 ? -4.168 -11.831 1.245 1.00 0.00 ? 29 GLY A CA 20 ATOM 29373 C C . GLY A 1 29 ? -3.763 -11.307 -0.118 1.00 0.00 ? 29 GLY A C 20 ATOM 29374 O O . GLY A 1 29 ? -2.863 -11.851 -0.759 1.00 0.00 ? 29 GLY A O 20 ATOM 29375 H H . GLY A 1 29 ? -5.330 -10.471 2.378 1.00 0.00 ? 29 GLY A H 20 ATOM 29376 H HA2 . GLY A 1 29 ? -3.369 -11.638 1.946 1.00 0.00 ? 29 GLY A HA2 20 ATOM 29377 H HA3 . GLY A 1 29 ? -4.323 -12.898 1.177 1.00 0.00 ? 29 GLY A HA3 20 ATOM 29378 N N . LYS A 1 30 ? -4.429 -10.248 -0.566 1.00 0.00 ? 30 LYS A N 20 ATOM 29379 C CA . LYS A 1 30 ? -4.134 -9.650 -1.862 1.00 0.00 ? 30 LYS A CA 20 ATOM 29380 C C . LYS A 1 30 ? -2.913 -8.741 -1.777 1.00 0.00 ? 30 LYS A C 20 ATOM 29381 O O . LYS A 1 30 ? -2.913 -7.633 -2.314 1.00 0.00 ? 30 LYS A O 20 ATOM 29382 C CB . LYS A 1 30 ? -5.341 -8.855 -2.366 1.00 0.00 ? 30 LYS A CB 20 ATOM 29383 C CG . LYS A 1 30 ? -6.548 -9.720 -2.687 1.00 0.00 ? 30 LYS A CG 20 ATOM 29384 C CD . LYS A 1 30 ? -6.370 -10.461 -4.001 1.00 0.00 ? 30 LYS A CD 20 ATOM 29385 C CE . LYS A 1 30 ? -7.710 -10.834 -4.617 1.00 0.00 ? 30 LYS A CE 20 ATOM 29386 N NZ . LYS A 1 30 ? -7.589 -11.988 -5.550 1.00 0.00 ? 30 LYS A NZ 20 ATOM 29387 H H . LYS A 1 30 ? -5.136 -9.858 -0.009 1.00 0.00 ? 30 LYS A H 20 ATOM 29388 H HA . LYS A 1 30 ? -3.925 -10.450 -2.557 1.00 0.00 ? 30 LYS A HA 20 ATOM 29389 H HB2 . LYS A 1 30 ? -5.627 -8.140 -1.610 1.00 0.00 ? 30 LYS A HB2 20 ATOM 29390 H HB3 . LYS A 1 30 ? -5.057 -8.323 -3.263 1.00 0.00 ? 30 LYS A HB3 20 ATOM 29391 H HG2 . LYS A 1 30 ? -6.683 -10.441 -1.895 1.00 0.00 ? 30 LYS A HG2 20 ATOM 29392 H HG3 . LYS A 1 30 ? -7.423 -9.089 -2.755 1.00 0.00 ? 30 LYS A HG3 20 ATOM 29393 H HD2 . LYS A 1 30 ? -5.833 -9.828 -4.692 1.00 0.00 ? 30 LYS A HD2 20 ATOM 29394 H HD3 . LYS A 1 30 ? -5.802 -11.363 -3.822 1.00 0.00 ? 30 LYS A HD3 20 ATOM 29395 H HE2 . LYS A 1 30 ? -8.395 -11.093 -3.825 1.00 0.00 ? 30 LYS A HE2 20 ATOM 29396 H HE3 . LYS A 1 30 ? -8.092 -9.982 -5.159 1.00 0.00 ? 30 LYS A HE3 20 ATOM 29397 H HZ1 . LYS A 1 30 ? -8.226 -12.755 -5.254 1.00 0.00 ? 30 LYS A HZ1 20 ATOM 29398 H HZ2 . LYS A 1 30 ? -6.612 -12.346 -5.552 1.00 0.00 ? 30 LYS A HZ2 20 ATOM 29399 H HZ3 . LYS A 1 30 ? -7.842 -11.695 -6.515 1.00 0.00 ? 30 LYS A HZ3 20 ATOM 29400 N N . TYR A 1 31 ? -1.873 -9.216 -1.101 1.00 0.00 ? 31 TYR A N 20 ATOM 29401 C CA . TYR A 1 31 ? -0.645 -8.445 -0.945 1.00 0.00 ? 31 TYR A CA 20 ATOM 29402 C C . TYR A 1 31 ? -0.329 -7.661 -2.215 1.00 0.00 ? 31 TYR A C 20 ATOM 29403 O O . TYR A 1 31 ? -0.296 -6.431 -2.205 1.00 0.00 ? 31 TYR A O 20 ATOM 29404 C CB . TYR A 1 31 ? 0.523 -9.370 -0.600 1.00 0.00 ? 31 TYR A CB 20 ATOM 29405 C CG . TYR A 1 31 ? 0.285 -10.211 0.635 1.00 0.00 ? 31 TYR A CG 20 ATOM 29406 C CD1 . TYR A 1 31 ? 0.555 -9.710 1.902 1.00 0.00 ? 31 TYR A CD1 20 ATOM 29407 C CD2 . TYR A 1 31 ? -0.209 -11.505 0.533 1.00 0.00 ? 31 TYR A CD2 20 ATOM 29408 C CE1 . TYR A 1 31 ? 0.341 -10.474 3.033 1.00 0.00 ? 31 TYR A CE1 20 ATOM 29409 C CE2 . TYR A 1 31 ? -0.428 -12.276 1.659 1.00 0.00 ? 31 TYR A CE2 20 ATOM 29410 C CZ . TYR A 1 31 ? -0.151 -11.756 2.906 1.00 0.00 ? 31 TYR A CZ 20 ATOM 29411 O OH . TYR A 1 31 ? -0.367 -12.521 4.029 1.00 0.00 ? 31 TYR A OH 20 ATOM 29412 H H . TYR A 1 31 ? -1.933 -10.106 -0.695 1.00 0.00 ? 31 TYR A H 20 ATOM 29413 H HA . TYR A 1 31 ? -0.792 -7.748 -0.132 1.00 0.00 ? 31 TYR A HA 20 ATOM 29414 H HB2 . TYR A 1 31 ? 0.699 -10.040 -1.427 1.00 0.00 ? 31 TYR A HB2 20 ATOM 29415 H HB3 . TYR A 1 31 ? 1.407 -8.774 -0.430 1.00 0.00 ? 31 TYR A HB3 20 ATOM 29416 H HD1 . TYR A 1 31 ? 0.941 -8.705 1.998 1.00 0.00 ? 31 TYR A HD1 20 ATOM 29417 H HD2 . TYR A 1 31 ? -0.423 -11.910 -0.445 1.00 0.00 ? 31 TYR A HD2 20 ATOM 29418 H HE1 . TYR A 1 31 ? 0.557 -10.067 4.010 1.00 0.00 ? 31 TYR A HE1 20 ATOM 29419 H HE2 . TYR A 1 31 ? -0.813 -13.280 1.560 1.00 0.00 ? 31 TYR A HE2 20 ATOM 29420 H HH . TYR A 1 31 ? 0.477 -12.778 4.409 1.00 0.00 ? 31 TYR A HH 20 ATOM 29421 N N . GLU A 1 32 ? -0.099 -8.384 -3.307 1.00 0.00 ? 32 GLU A N 20 ATOM 29422 C CA . GLU A 1 32 ? 0.215 -7.756 -4.585 1.00 0.00 ? 32 GLU A CA 20 ATOM 29423 C C . GLU A 1 32 ? -0.634 -6.506 -4.800 1.00 0.00 ? 32 GLU A C 20 ATOM 29424 O O . GLU A 1 32 ? -0.118 -5.389 -4.817 1.00 0.00 ? 32 GLU A O 20 ATOM 29425 C CB . GLU A 1 32 ? -0.012 -8.743 -5.732 1.00 0.00 ? 32 GLU A CB 20 ATOM 29426 C CG . GLU A 1 32 ? 0.604 -8.299 -7.048 1.00 0.00 ? 32 GLU A CG 20 ATOM 29427 C CD . GLU A 1 32 ? 0.169 -9.162 -8.217 1.00 0.00 ? 32 GLU A CD 20 ATOM 29428 O OE1 . GLU A 1 32 ? -0.288 -10.299 -7.977 1.00 0.00 ? 32 GLU A OE1 20 ATOM 29429 O OE2 . GLU A 1 32 ? 0.286 -8.699 -9.371 1.00 0.00 ? 32 GLU A OE2 20 ATOM 29430 H H . GLU A 1 32 ? -0.140 -9.361 -3.251 1.00 0.00 ? 32 GLU A H 20 ATOM 29431 H HA . GLU A 1 32 ? 1.256 -7.471 -4.568 1.00 0.00 ? 32 GLU A HA 20 ATOM 29432 H HB2 . GLU A 1 32 ? 0.416 -9.697 -5.461 1.00 0.00 ? 32 GLU A HB2 20 ATOM 29433 H HB3 . GLU A 1 32 ? -1.075 -8.866 -5.880 1.00 0.00 ? 32 GLU A HB3 20 ATOM 29434 H HG2 . GLU A 1 32 ? 0.308 -7.279 -7.244 1.00 0.00 ? 32 GLU A HG2 20 ATOM 29435 H HG3 . GLU A 1 32 ? 1.680 -8.350 -6.962 1.00 0.00 ? 32 GLU A HG3 20 ATOM 29436 N N . GLU A 1 33 ? -1.938 -6.704 -4.965 1.00 0.00 ? 33 GLU A N 20 ATOM 29437 C CA . GLU A 1 33 ? -2.858 -5.593 -5.180 1.00 0.00 ? 33 GLU A CA 20 ATOM 29438 C C . GLU A 1 33 ? -2.481 -4.398 -4.308 1.00 0.00 ? 33 GLU A C 20 ATOM 29439 O O . GLU A 1 33 ? -2.456 -3.260 -4.774 1.00 0.00 ? 33 GLU A O 20 ATOM 29440 C CB . GLU A 1 33 ? -4.294 -6.025 -4.879 1.00 0.00 ? 33 GLU A CB 20 ATOM 29441 C CG . GLU A 1 33 ? -4.784 -7.163 -5.759 1.00 0.00 ? 33 GLU A CG 20 ATOM 29442 C CD . GLU A 1 33 ? -6.284 -7.124 -5.982 1.00 0.00 ? 33 GLU A CD 20 ATOM 29443 O OE1 . GLU A 1 33 ? -6.831 -6.014 -6.149 1.00 0.00 ? 33 GLU A OE1 20 ATOM 29444 O OE2 . GLU A 1 33 ? -6.910 -8.205 -5.990 1.00 0.00 ? 33 GLU A OE2 20 ATOM 29445 H H . GLU A 1 33 ? -2.290 -7.618 -4.941 1.00 0.00 ? 33 GLU A H 20 ATOM 29446 H HA . GLU A 1 33 ? -2.789 -5.302 -6.217 1.00 0.00 ? 33 GLU A HA 20 ATOM 29447 H HB2 . GLU A 1 33 ? -4.354 -6.343 -3.849 1.00 0.00 ? 33 GLU A HB2 20 ATOM 29448 H HB3 . GLU A 1 33 ? -4.949 -5.179 -5.024 1.00 0.00 ? 33 GLU A HB3 20 ATOM 29449 H HG2 . GLU A 1 33 ? -4.292 -7.098 -6.717 1.00 0.00 ? 33 GLU A HG2 20 ATOM 29450 H HG3 . GLU A 1 33 ? -4.529 -8.101 -5.288 1.00 0.00 ? 33 GLU A HG3 20 ATOM 29451 N N . ALA A 1 34 ? -2.190 -4.668 -3.040 1.00 0.00 ? 34 ALA A N 20 ATOM 29452 C CA . ALA A 1 34 ? -1.813 -3.616 -2.103 1.00 0.00 ? 34 ALA A CA 20 ATOM 29453 C C . ALA A 1 34 ? -0.465 -3.008 -2.473 1.00 0.00 ? 34 ALA A C 20 ATOM 29454 O O . ALA A 1 34 ? -0.300 -1.788 -2.460 1.00 0.00 ? 34 ALA A O 20 ATOM 29455 C CB . ALA A 1 34 ? -1.776 -4.163 -0.683 1.00 0.00 ? 34 ALA A CB 20 ATOM 29456 H H . ALA A 1 34 ? -2.227 -5.595 -2.727 1.00 0.00 ? 34 ALA A H 20 ATOM 29457 H HA . ALA A 1 34 ? -2.569 -2.845 -2.145 1.00 0.00 ? 34 ALA A HA 20 ATOM 29458 H HB1 . ALA A 1 34 ? -0.749 -4.282 -0.371 1.00 0.00 ? 34 ALA A HB1 20 ATOM 29459 H HB2 . ALA A 1 34 ? -2.277 -3.475 -0.019 1.00 0.00 ? 34 ALA A HB2 20 ATOM 29460 H HB3 . ALA A 1 34 ? -2.275 -5.120 -0.653 1.00 0.00 ? 34 ALA A HB3 20 ATOM 29461 N N . ILE A 1 35 ? 0.496 -3.865 -2.801 1.00 0.00 ? 35 ILE A N 20 ATOM 29462 C CA . ILE A 1 35 ? 1.829 -3.411 -3.175 1.00 0.00 ? 35 ILE A CA 20 ATOM 29463 C C . ILE A 1 35 ? 1.758 -2.247 -4.157 1.00 0.00 ? 35 ILE A C 20 ATOM 29464 O O . ILE A 1 35 ? 2.257 -1.156 -3.880 1.00 0.00 ? 35 ILE A O 20 ATOM 29465 C CB . ILE A 1 35 ? 2.656 -4.549 -3.803 1.00 0.00 ? 35 ILE A CB 20 ATOM 29466 C CG1 . ILE A 1 35 ? 2.842 -5.688 -2.799 1.00 0.00 ? 35 ILE A CG1 20 ATOM 29467 C CG2 . ILE A 1 35 ? 4.004 -4.025 -4.274 1.00 0.00 ? 35 ILE A CG2 20 ATOM 29468 C CD1 . ILE A 1 35 ? 3.534 -6.900 -3.381 1.00 0.00 ? 35 ILE A CD1 20 ATOM 29469 H H . ILE A 1 35 ? 0.303 -4.826 -2.792 1.00 0.00 ? 35 ILE A H 20 ATOM 29470 H HA . ILE A 1 35 ? 2.332 -3.081 -2.277 1.00 0.00 ? 35 ILE A HA 20 ATOM 29471 H HB . ILE A 1 35 ? 2.120 -4.920 -4.663 1.00 0.00 ? 35 ILE A HB 20 ATOM 29472 H HG12 . ILE A 1 35 ? 3.435 -5.335 -1.969 1.00 0.00 ? 35 ILE A HG12 20 ATOM 29473 H HG13 . ILE A 1 35 ? 1.873 -6.000 -2.436 1.00 0.00 ? 35 ILE A HG13 20 ATOM 29474 H HG21 . ILE A 1 35 ? 4.596 -4.846 -4.655 1.00 0.00 ? 35 ILE A HG21 20 ATOM 29475 H HG22 . ILE A 1 35 ? 3.854 -3.298 -5.058 1.00 0.00 ? 35 ILE A HG22 20 ATOM 29476 H HG23 . ILE A 1 35 ? 4.521 -3.563 -3.447 1.00 0.00 ? 35 ILE A HG23 20 ATOM 29477 H HD11 . ILE A 1 35 ? 3.530 -6.834 -4.459 1.00 0.00 ? 35 ILE A HD11 20 ATOM 29478 H HD12 . ILE A 1 35 ? 4.552 -6.941 -3.025 1.00 0.00 ? 35 ILE A HD12 20 ATOM 29479 H HD13 . ILE A 1 35 ? 3.010 -7.795 -3.076 1.00 0.00 ? 35 ILE A HD13 20 ATOM 29480 N N . SER A 1 36 ? 1.133 -2.486 -5.306 1.00 0.00 ? 36 SER A N 20 ATOM 29481 C CA . SER A 1 36 ? 0.998 -1.459 -6.331 1.00 0.00 ? 36 SER A CA 20 ATOM 29482 C C . SER A 1 36 ? 0.152 -0.294 -5.825 1.00 0.00 ? 36 SER A C 20 ATOM 29483 O O . SER A 1 36 ? 0.487 0.871 -6.040 1.00 0.00 ? 36 SER A O 20 ATOM 29484 C CB . SER A 1 36 ? 0.370 -2.049 -7.595 1.00 0.00 ? 36 SER A CB 20 ATOM 29485 O OG . SER A 1 36 ? 1.364 -2.545 -8.475 1.00 0.00 ? 36 SER A OG 20 ATOM 29486 H H . SER A 1 36 ? 0.756 -3.377 -5.468 1.00 0.00 ? 36 SER A H 20 ATOM 29487 H HA . SER A 1 36 ? 1.987 -1.094 -6.567 1.00 0.00 ? 36 SER A HA 20 ATOM 29488 H HB2 . SER A 1 36 ? -0.289 -2.859 -7.322 1.00 0.00 ? 36 SER A HB2 20 ATOM 29489 H HB3 . SER A 1 36 ? -0.195 -1.282 -8.105 1.00 0.00 ? 36 SER A HB3 20 ATOM 29490 H HG . SER A 1 36 ? 0.969 -2.741 -9.327 1.00 0.00 ? 36 SER A HG 20 ATOM 29491 N N . CYS A 1 37 ? -0.946 -0.619 -5.152 1.00 0.00 ? 37 CYS A N 20 ATOM 29492 C CA . CYS A 1 37 ? -1.843 0.399 -4.615 1.00 0.00 ? 37 CYS A CA 20 ATOM 29493 C C . CYS A 1 37 ? -1.052 1.553 -4.006 1.00 0.00 ? 37 CYS A C 20 ATOM 29494 O O . CYS A 1 37 ? -1.308 2.720 -4.304 1.00 0.00 ? 37 CYS A O 20 ATOM 29495 C CB . CYS A 1 37 ? -2.770 -0.211 -3.563 1.00 0.00 ? 37 CYS A CB 20 ATOM 29496 S SG . CYS A 1 37 ? -4.019 0.931 -2.928 1.00 0.00 ? 37 CYS A SG 20 ATOM 29497 H H . CYS A 1 37 ? -1.160 -1.565 -5.012 1.00 0.00 ? 37 CYS A H 20 ATOM 29498 H HA . CYS A 1 37 ? -2.439 0.779 -5.431 1.00 0.00 ? 37 CYS A HA 20 ATOM 29499 H HB2 . CYS A 1 37 ? -3.287 -1.055 -3.995 1.00 0.00 ? 37 CYS A HB2 20 ATOM 29500 H HB3 . CYS A 1 37 ? -2.177 -0.551 -2.726 1.00 0.00 ? 37 CYS A HB3 20 ATOM 29501 H HG . CYS A 1 37 ? -4.812 0.255 -2.110 1.00 0.00 ? 37 CYS A HG 20 ATOM 29502 N N . HIS A 1 38 ? -0.092 1.219 -3.150 1.00 0.00 ? 38 HIS A N 20 ATOM 29503 C CA . HIS A 1 38 ? 0.736 2.227 -2.497 1.00 0.00 ? 38 HIS A CA 20 ATOM 29504 C C . HIS A 1 38 ? 1.655 2.910 -3.505 1.00 0.00 ? 38 HIS A C 20 ATOM 29505 O O . HIS A 1 38 ? 1.801 4.133 -3.497 1.00 0.00 ? 38 HIS A O 20 ATOM 29506 C CB . HIS A 1 38 ? 1.565 1.593 -1.381 1.00 0.00 ? 38 HIS A CB 20 ATOM 29507 C CG . HIS A 1 38 ? 0.824 1.460 -0.086 1.00 0.00 ? 38 HIS A CG 20 ATOM 29508 N ND1 . HIS A 1 38 ? 0.291 2.537 0.590 1.00 0.00 ? 38 HIS A ND1 20 ATOM 29509 C CD2 . HIS A 1 38 ? 0.528 0.368 0.657 1.00 0.00 ? 38 HIS A CD2 20 ATOM 29510 C CE1 . HIS A 1 38 ? -0.300 2.113 1.693 1.00 0.00 ? 38 HIS A CE1 20 ATOM 29511 N NE2 . HIS A 1 38 ? -0.171 0.800 1.757 1.00 0.00 ? 38 HIS A NE2 20 ATOM 29512 H H . HIS A 1 38 ? 0.064 0.272 -2.953 1.00 0.00 ? 38 HIS A H 20 ATOM 29513 H HA . HIS A 1 38 ? 0.079 2.969 -2.069 1.00 0.00 ? 38 HIS A HA 20 ATOM 29514 H HB2 . HIS A 1 38 ? 1.874 0.604 -1.688 1.00 0.00 ? 38 HIS A HB2 20 ATOM 29515 H HB3 . HIS A 1 38 ? 2.441 2.199 -1.202 1.00 0.00 ? 38 HIS A HB3 20 ATOM 29516 H HD1 . HIS A 1 38 ? 0.339 3.473 0.304 1.00 0.00 ? 38 HIS A HD1 20 ATOM 29517 H HD2 . HIS A 1 38 ? 0.793 -0.655 0.428 1.00 0.00 ? 38 HIS A HD2 20 ATOM 29518 H HE1 . HIS A 1 38 ? -0.804 2.734 2.419 1.00 0.00 ? 38 HIS A HE1 20 ATOM 29519 H HE2 . HIS A 1 38 ? -0.443 0.243 2.515 1.00 0.00 ? 38 HIS A HE2 20 ATOM 29520 N N . ARG A 1 39 ? 2.274 2.113 -4.370 1.00 0.00 ? 39 ARG A N 20 ATOM 29521 C CA . ARG A 1 39 ? 3.181 2.640 -5.382 1.00 0.00 ? 39 ARG A CA 20 ATOM 29522 C C . ARG A 1 39 ? 2.577 3.861 -6.070 1.00 0.00 ? 39 ARG A C 20 ATOM 29523 O O . ARG A 1 39 ? 3.228 4.897 -6.205 1.00 0.00 ? 39 ARG A O 20 ATOM 29524 C CB . ARG A 1 39 ? 3.502 1.564 -6.420 1.00 0.00 ? 39 ARG A CB 20 ATOM 29525 C CG . ARG A 1 39 ? 4.439 0.483 -5.906 1.00 0.00 ? 39 ARG A CG 20 ATOM 29526 C CD . ARG A 1 39 ? 5.277 -0.108 -7.029 1.00 0.00 ? 39 ARG A CD 20 ATOM 29527 N NE . ARG A 1 39 ? 6.509 0.646 -7.247 1.00 0.00 ? 39 ARG A NE 20 ATOM 29528 C CZ . ARG A 1 39 ? 7.322 0.441 -8.277 1.00 0.00 ? 39 ARG A CZ 20 ATOM 29529 N NH1 . ARG A 1 39 ? 7.036 -0.488 -9.178 1.00 0.00 ? 39 ARG A NH1 20 ATOM 29530 N NH2 . ARG A 1 39 ? 8.425 1.168 -8.407 1.00 0.00 ? 39 ARG A NH2 20 ATOM 29531 H H . ARG A 1 39 ? 2.117 1.146 -4.326 1.00 0.00 ? 39 ARG A H 20 ATOM 29532 H HA . ARG A 1 39 ? 4.094 2.936 -4.888 1.00 0.00 ? 39 ARG A HA 20 ATOM 29533 H HB2 . ARG A 1 39 ? 2.581 1.093 -6.731 1.00 0.00 ? 39 ARG A HB2 20 ATOM 29534 H HB3 . ARG A 1 39 ? 3.964 2.033 -7.276 1.00 0.00 ? 39 ARG A HB3 20 ATOM 29535 H HG2 . ARG A 1 39 ? 5.099 0.912 -5.167 1.00 0.00 ? 39 ARG A HG2 20 ATOM 29536 H HG3 . ARG A 1 39 ? 3.852 -0.303 -5.454 1.00 0.00 ? 39 ARG A HG3 20 ATOM 29537 H HD2 . ARG A 1 39 ? 5.530 -1.126 -6.774 1.00 0.00 ? 39 ARG A HD2 20 ATOM 29538 H HD3 . ARG A 1 39 ? 4.694 -0.099 -7.938 1.00 0.00 ? 39 ARG A HD3 20 ATOM 29539 H HE . ARG A 1 39 ? 6.739 1.338 -6.593 1.00 0.00 ? 39 ARG A HE 20 ATOM 29540 H HH11 . ARG A 1 39 ? 6.206 -1.036 -9.083 1.00 0.00 ? 39 ARG A HH11 20 ATOM 29541 H HH12 . ARG A 1 39 ? 7.650 -0.639 -9.954 1.00 0.00 ? 39 ARG A HH12 20 ATOM 29542 H HH21 . ARG A 1 39 ? 8.644 1.870 -7.730 1.00 0.00 ? 39 ARG A HH21 20 ATOM 29543 H HH22 . ARG A 1 39 ? 9.037 1.014 -9.183 1.00 0.00 ? 39 ARG A HH22 20 ATOM 29544 N N . LYS A 1 40 ? 1.327 3.732 -6.503 1.00 0.00 ? 40 LYS A N 20 ATOM 29545 C CA . LYS A 1 40 ? 0.634 4.824 -7.177 1.00 0.00 ? 40 LYS A CA 20 ATOM 29546 C C . LYS A 1 40 ? 0.612 6.075 -6.304 1.00 0.00 ? 40 LYS A C 20 ATOM 29547 O O . LYS A 1 40 ? 1.100 7.131 -6.706 1.00 0.00 ? 40 LYS A O 20 ATOM 29548 C CB . LYS A 1 40 ? -0.797 4.408 -7.525 1.00 0.00 ? 40 LYS A CB 20 ATOM 29549 C CG . LYS A 1 40 ? -0.899 3.590 -8.801 1.00 0.00 ? 40 LYS A CG 20 ATOM 29550 C CD . LYS A 1 40 ? -0.473 2.149 -8.576 1.00 0.00 ? 40 LYS A CD 20 ATOM 29551 C CE . LYS A 1 40 ? -1.009 1.233 -9.666 1.00 0.00 ? 40 LYS A CE 20 ATOM 29552 N NZ . LYS A 1 40 ? -2.434 0.869 -9.434 1.00 0.00 ? 40 LYS A NZ 20 ATOM 29553 H H . LYS A 1 40 ? 0.860 2.881 -6.366 1.00 0.00 ? 40 LYS A H 20 ATOM 29554 H HA . LYS A 1 40 ? 1.168 5.044 -8.088 1.00 0.00 ? 40 LYS A HA 20 ATOM 29555 H HB2 . LYS A 1 40 ? -1.197 3.819 -6.713 1.00 0.00 ? 40 LYS A HB2 20 ATOM 29556 H HB3 . LYS A 1 40 ? -1.399 5.297 -7.644 1.00 0.00 ? 40 LYS A HB3 20 ATOM 29557 H HG2 . LYS A 1 40 ? -1.923 3.602 -9.145 1.00 0.00 ? 40 LYS A HG2 20 ATOM 29558 H HG3 . LYS A 1 40 ? -0.260 4.032 -9.553 1.00 0.00 ? 40 LYS A HG3 20 ATOM 29559 H HD2 . LYS A 1 40 ? 0.606 2.097 -8.576 1.00 0.00 ? 40 LYS A HD2 20 ATOM 29560 H HD3 . LYS A 1 40 ? -0.851 1.817 -7.620 1.00 0.00 ? 40 LYS A HD3 20 ATOM 29561 H HE2 . LYS A 1 40 ? -0.925 1.738 -10.616 1.00 0.00 ? 40 LYS A HE2 20 ATOM 29562 H HE3 . LYS A 1 40 ? -0.414 0.331 -9.683 1.00 0.00 ? 40 LYS A HE3 20 ATOM 29563 H HZ1 . LYS A 1 40 ? -2.947 0.843 -10.338 1.00 0.00 ? 40 LYS A HZ1 20 ATOM 29564 H HZ2 . LYS A 1 40 ? -2.885 1.571 -8.813 1.00 0.00 ? 40 LYS A HZ2 20 ATOM 29565 H HZ3 . LYS A 1 40 ? -2.496 -0.066 -8.984 1.00 0.00 ? 40 LYS A HZ3 20 ATOM 29566 N N . ALA A 1 41 ? 0.045 5.948 -5.109 1.00 0.00 ? 41 ALA A N 20 ATOM 29567 C CA . ALA A 1 41 ? -0.036 7.068 -4.179 1.00 0.00 ? 41 ALA A CA 20 ATOM 29568 C C . ALA A 1 41 ? 1.326 7.730 -3.998 1.00 0.00 ? 41 ALA A C 20 ATOM 29569 O O . ALA A 1 41 ? 1.513 8.896 -4.348 1.00 0.00 ? 41 ALA A O 20 ATOM 29570 C CB . ALA A 1 41 ? -0.581 6.601 -2.838 1.00 0.00 ? 41 ALA A CB 20 ATOM 29571 H H . ALA A 1 41 ? -0.326 5.080 -4.846 1.00 0.00 ? 41 ALA A H 20 ATOM 29572 H HA . ALA A 1 41 ? -0.726 7.792 -4.589 1.00 0.00 ? 41 ALA A HA 20 ATOM 29573 H HB1 . ALA A 1 41 ? -1.297 5.808 -2.998 1.00 0.00 ? 41 ALA A HB1 20 ATOM 29574 H HB2 . ALA A 1 41 ? 0.230 6.237 -2.227 1.00 0.00 ? 41 ALA A HB2 20 ATOM 29575 H HB3 . ALA A 1 41 ? -1.065 7.428 -2.339 1.00 0.00 ? 41 ALA A HB3 20 ATOM 29576 N N . THR A 1 42 ? 2.275 6.980 -3.447 1.00 0.00 ? 42 THR A N 20 ATOM 29577 C CA . THR A 1 42 ? 3.619 7.494 -3.217 1.00 0.00 ? 42 THR A CA 20 ATOM 29578 C C . THR A 1 42 ? 4.064 8.400 -4.360 1.00 0.00 ? 42 THR A C 20 ATOM 29579 O O . THR A 1 42 ? 4.570 9.500 -4.134 1.00 0.00 ? 42 THR A O 20 ATOM 29580 C CB . THR A 1 42 ? 4.638 6.351 -3.056 1.00 0.00 ? 42 THR A CB 20 ATOM 29581 O OG1 . THR A 1 42 ? 4.394 5.335 -4.035 1.00 0.00 ? 42 THR A OG1 20 ATOM 29582 C CG2 . THR A 1 42 ? 4.560 5.748 -1.662 1.00 0.00 ? 42 THR A CG2 20 ATOM 29583 H H . THR A 1 42 ? 2.065 6.058 -3.189 1.00 0.00 ? 42 THR A H 20 ATOM 29584 H HA . THR A 1 42 ? 3.604 8.067 -2.301 1.00 0.00 ? 42 THR A HA 20 ATOM 29585 H HB . THR A 1 42 ? 5.631 6.752 -3.204 1.00 0.00 ? 42 THR A HB 20 ATOM 29586 H HG1 . THR A 1 42 ? 4.837 5.567 -4.855 1.00 0.00 ? 42 THR A HG1 20 ATOM 29587 H HG21 . THR A 1 42 ? 5.115 4.822 -1.638 1.00 0.00 ? 42 THR A HG21 20 ATOM 29588 H HG22 . THR A 1 42 ? 3.528 5.556 -1.410 1.00 0.00 ? 42 THR A HG22 20 ATOM 29589 H HG23 . THR A 1 42 ? 4.982 6.439 -0.947 1.00 0.00 ? 42 THR A HG23 20 ATOM 29590 N N . THR A 1 43 ? 3.872 7.932 -5.589 1.00 0.00 ? 43 THR A N 20 ATOM 29591 C CA . THR A 1 43 ? 4.254 8.699 -6.768 1.00 0.00 ? 43 THR A CA 20 ATOM 29592 C C . THR A 1 43 ? 3.581 10.067 -6.775 1.00 0.00 ? 43 THR A C 20 ATOM 29593 O O . THR A 1 43 ? 4.246 11.095 -6.907 1.00 0.00 ? 43 THR A O 20 ATOM 29594 C CB . THR A 1 43 ? 3.890 7.954 -8.066 1.00 0.00 ? 43 THR A CB 20 ATOM 29595 O OG1 . THR A 1 43 ? 4.520 6.668 -8.086 1.00 0.00 ? 43 THR A OG1 20 ATOM 29596 C CG2 . THR A 1 43 ? 4.318 8.754 -9.287 1.00 0.00 ? 43 THR A CG2 20 ATOM 29597 H H . THR A 1 43 ? 3.464 7.048 -5.704 1.00 0.00 ? 43 THR A H 20 ATOM 29598 H HA . THR A 1 43 ? 5.325 8.835 -6.744 1.00 0.00 ? 43 THR A HA 20 ATOM 29599 H HB . THR A 1 43 ? 2.818 7.822 -8.098 1.00 0.00 ? 43 THR A HB 20 ATOM 29600 H HG1 . THR A 1 43 ? 4.462 6.270 -7.214 1.00 0.00 ? 43 THR A HG1 20 ATOM 29601 H HG21 . THR A 1 43 ? 5.269 9.226 -9.092 1.00 0.00 ? 43 THR A HG21 20 ATOM 29602 H HG22 . THR A 1 43 ? 3.577 9.509 -9.500 1.00 0.00 ? 43 THR A HG22 20 ATOM 29603 H HG23 . THR A 1 43 ? 4.412 8.092 -10.135 1.00 0.00 ? 43 THR A HG23 20 ATOM 29604 N N . TYR A 1 44 ? 2.261 10.073 -6.630 1.00 0.00 ? 44 TYR A N 20 ATOM 29605 C CA . TYR A 1 44 ? 1.498 11.316 -6.622 1.00 0.00 ? 44 TYR A CA 20 ATOM 29606 C C . TYR A 1 44 ? 2.042 12.281 -5.573 1.00 0.00 ? 44 TYR A C 20 ATOM 29607 O O . TYR A 1 44 ? 2.321 13.444 -5.868 1.00 0.00 ? 44 TYR A O 20 ATOM 29608 C CB . TYR A 1 44 ? 0.020 11.030 -6.350 1.00 0.00 ? 44 TYR A CB 20 ATOM 29609 C CG . TYR A 1 44 ? -0.839 12.273 -6.309 1.00 0.00 ? 44 TYR A CG 20 ATOM 29610 C CD1 . TYR A 1 44 ? -0.545 13.371 -7.108 1.00 0.00 ? 44 TYR A CD1 20 ATOM 29611 C CD2 . TYR A 1 44 ? -1.945 12.349 -5.471 1.00 0.00 ? 44 TYR A CD2 20 ATOM 29612 C CE1 . TYR A 1 44 ? -1.327 14.509 -7.073 1.00 0.00 ? 44 TYR A CE1 20 ATOM 29613 C CE2 . TYR A 1 44 ? -2.733 13.483 -5.431 1.00 0.00 ? 44 TYR A CE2 20 ATOM 29614 C CZ . TYR A 1 44 ? -2.420 14.560 -6.234 1.00 0.00 ? 44 TYR A CZ 20 ATOM 29615 O OH . TYR A 1 44 ? -3.203 15.692 -6.195 1.00 0.00 ? 44 TYR A OH 20 ATOM 29616 H H . TYR A 1 44 ? 1.787 9.221 -6.529 1.00 0.00 ? 44 TYR A H 20 ATOM 29617 H HA . TYR A 1 44 ? 1.594 11.770 -7.597 1.00 0.00 ? 44 TYR A HA 20 ATOM 29618 H HB2 . TYR A 1 44 ? -0.364 10.387 -7.128 1.00 0.00 ? 44 TYR A HB2 20 ATOM 29619 H HB3 . TYR A 1 44 ? -0.073 10.529 -5.398 1.00 0.00 ? 44 TYR A HB3 20 ATOM 29620 H HD1 . TYR A 1 44 ? 0.312 13.328 -7.764 1.00 0.00 ? 44 TYR A HD1 20 ATOM 29621 H HD2 . TYR A 1 44 ? -2.187 11.504 -4.844 1.00 0.00 ? 44 TYR A HD2 20 ATOM 29622 H HE1 . TYR A 1 44 ? -1.083 15.353 -7.701 1.00 0.00 ? 44 TYR A HE1 20 ATOM 29623 H HE2 . TYR A 1 44 ? -3.589 13.523 -4.774 1.00 0.00 ? 44 TYR A HE2 20 ATOM 29624 H HH . TYR A 1 44 ? -3.833 15.621 -5.475 1.00 0.00 ? 44 TYR A HH 20 ATOM 29625 N N . LEU A 1 45 ? 2.190 11.791 -4.348 1.00 0.00 ? 45 LEU A N 20 ATOM 29626 C CA . LEU A 1 45 ? 2.701 12.609 -3.253 1.00 0.00 ? 45 LEU A CA 20 ATOM 29627 C C . LEU A 1 45 ? 4.057 13.210 -3.609 1.00 0.00 ? 45 LEU A C 20 ATOM 29628 O O . LEU A 1 45 ? 4.360 14.345 -3.242 1.00 0.00 ? 45 LEU A O 20 ATOM 29629 C CB . LEU A 1 45 ? 2.821 11.772 -1.978 1.00 0.00 ? 45 LEU A CB 20 ATOM 29630 C CG . LEU A 1 45 ? 1.508 11.263 -1.383 1.00 0.00 ? 45 LEU A CG 20 ATOM 29631 C CD1 . LEU A 1 45 ? 1.778 10.303 -0.235 1.00 0.00 ? 45 LEU A CD1 20 ATOM 29632 C CD2 . LEU A 1 45 ? 0.647 12.427 -0.916 1.00 0.00 ? 45 LEU A CD2 20 ATOM 29633 H H . LEU A 1 45 ? 1.951 10.857 -4.173 1.00 0.00 ? 45 LEU A H 20 ATOM 29634 H HA . LEU A 1 45 ? 1.999 13.411 -3.083 1.00 0.00 ? 45 LEU A HA 20 ATOM 29635 H HB2 . LEU A 1 45 ? 3.437 10.915 -2.202 1.00 0.00 ? 45 LEU A HB2 20 ATOM 29636 H HB3 . LEU A 1 45 ? 3.311 12.379 -1.230 1.00 0.00 ? 45 LEU A HB3 20 ATOM 29637 H HG . LEU A 1 45 ? 0.960 10.725 -2.145 1.00 0.00 ? 45 LEU A HG 20 ATOM 29638 H HD11 . LEU A 1 45 ? 2.693 9.762 -0.426 1.00 0.00 ? 45 LEU A HD11 20 ATOM 29639 H HD12 . LEU A 1 45 ? 0.958 9.605 -0.148 1.00 0.00 ? 45 LEU A HD12 20 ATOM 29640 H HD13 . LEU A 1 45 ? 1.874 10.861 0.685 1.00 0.00 ? 45 LEU A HD13 20 ATOM 29641 H HD21 . LEU A 1 45 ? 0.129 12.150 -0.010 1.00 0.00 ? 45 LEU A HD21 20 ATOM 29642 H HD22 . LEU A 1 45 ? -0.075 12.672 -1.682 1.00 0.00 ? 45 LEU A HD22 20 ATOM 29643 H HD23 . LEU A 1 45 ? 1.274 13.285 -0.725 1.00 0.00 ? 45 LEU A HD23 20 ATOM 29644 N N . SER A 1 46 ? 4.868 12.442 -4.330 1.00 0.00 ? 46 SER A N 20 ATOM 29645 C CA . SER A 1 46 ? 6.192 12.898 -4.735 1.00 0.00 ? 46 SER A CA 20 ATOM 29646 C C . SER A 1 46 ? 6.089 14.030 -5.753 1.00 0.00 ? 46 SER A C 20 ATOM 29647 O O . SER A 1 46 ? 7.019 14.819 -5.916 1.00 0.00 ? 46 SER A O 20 ATOM 29648 C CB . SER A 1 46 ? 6.996 11.738 -5.325 1.00 0.00 ? 46 SER A CB 20 ATOM 29649 O OG . SER A 1 46 ? 7.482 10.884 -4.305 1.00 0.00 ? 46 SER A OG 20 ATOM 29650 H H . SER A 1 46 ? 4.569 11.546 -4.593 1.00 0.00 ? 46 SER A H 20 ATOM 29651 H HA . SER A 1 46 ? 6.700 13.266 -3.856 1.00 0.00 ? 46 SER A HA 20 ATOM 29652 H HB2 . SER A 1 46 ? 6.364 11.166 -5.987 1.00 0.00 ? 46 SER A HB2 20 ATOM 29653 H HB3 . SER A 1 46 ? 7.836 12.131 -5.880 1.00 0.00 ? 46 SER A HB3 20 ATOM 29654 H HG . SER A 1 46 ? 8.024 10.194 -4.695 1.00 0.00 ? 46 SER A HG 20 ATOM 29655 N N . GLU A 1 47 ? 4.951 14.101 -6.436 1.00 0.00 ? 47 GLU A N 20 ATOM 29656 C CA . GLU A 1 47 ? 4.726 15.135 -7.439 1.00 0.00 ? 47 GLU A CA 20 ATOM 29657 C C . GLU A 1 47 ? 4.274 16.438 -6.786 1.00 0.00 ? 47 GLU A C 20 ATOM 29658 O O . GLU A 1 47 ? 4.561 17.527 -7.284 1.00 0.00 ? 47 GLU A O 20 ATOM 29659 C CB . GLU A 1 47 ? 3.679 14.673 -8.455 1.00 0.00 ? 47 GLU A CB 20 ATOM 29660 C CG . GLU A 1 47 ? 4.267 13.905 -9.627 1.00 0.00 ? 47 GLU A CG 20 ATOM 29661 C CD . GLU A 1 47 ? 4.713 14.815 -10.756 1.00 0.00 ? 47 GLU A CD 20 ATOM 29662 O OE1 . GLU A 1 47 ? 3.844 15.269 -11.530 1.00 0.00 ? 47 GLU A OE1 20 ATOM 29663 O OE2 . GLU A 1 47 ? 5.929 15.072 -10.866 1.00 0.00 ? 47 GLU A OE2 20 ATOM 29664 H H . GLU A 1 47 ? 4.246 13.443 -6.262 1.00 0.00 ? 47 GLU A H 20 ATOM 29665 H HA . GLU A 1 47 ? 5.659 15.309 -7.952 1.00 0.00 ? 47 GLU A HA 20 ATOM 29666 H HB2 . GLU A 1 47 ? 2.966 14.035 -7.954 1.00 0.00 ? 47 GLU A HB2 20 ATOM 29667 H HB3 . GLU A 1 47 ? 3.163 15.539 -8.842 1.00 0.00 ? 47 GLU A HB3 20 ATOM 29668 H HG2 . GLU A 1 47 ? 5.121 13.342 -9.281 1.00 0.00 ? 47 GLU A HG2 20 ATOM 29669 H HG3 . GLU A 1 47 ? 3.519 13.225 -10.007 1.00 0.00 ? 47 GLU A HG3 20 ATOM 29670 N N . ALA A 1 48 ? 3.567 16.318 -5.667 1.00 0.00 ? 48 ALA A N 20 ATOM 29671 C CA . ALA A 1 48 ? 3.077 17.485 -4.944 1.00 0.00 ? 48 ALA A CA 20 ATOM 29672 C C . ALA A 1 48 ? 4.232 18.331 -4.420 1.00 0.00 ? 48 ALA A C 20 ATOM 29673 O O . ALA A 1 48 ? 4.354 19.509 -4.758 1.00 0.00 ? 48 ALA A O 20 ATOM 29674 C CB . ALA A 1 48 ? 2.173 17.055 -3.798 1.00 0.00 ? 48 ALA A CB 20 ATOM 29675 H H . ALA A 1 48 ? 3.371 15.424 -5.319 1.00 0.00 ? 48 ALA A H 20 ATOM 29676 H HA . ALA A 1 48 ? 2.490 18.080 -5.629 1.00 0.00 ? 48 ALA A HA 20 ATOM 29677 H HB1 . ALA A 1 48 ? 2.707 16.368 -3.158 1.00 0.00 ? 48 ALA A HB1 20 ATOM 29678 H HB2 . ALA A 1 48 ? 1.877 17.923 -3.228 1.00 0.00 ? 48 ALA A HB2 20 ATOM 29679 H HB3 . ALA A 1 48 ? 1.295 16.568 -4.196 1.00 0.00 ? 48 ALA A HB3 20 ATOM 29680 N N . MET A 1 49 ? 5.077 17.724 -3.593 1.00 0.00 ? 49 MET A N 20 ATOM 29681 C CA . MET A 1 49 ? 6.223 18.423 -3.023 1.00 0.00 ? 49 MET A CA 20 ATOM 29682 C C . MET A 1 49 ? 7.115 18.990 -4.123 1.00 0.00 ? 49 MET A C 20 ATOM 29683 O O . MET A 1 49 ? 7.667 20.083 -3.986 1.00 0.00 ? 49 MET A O 20 ATOM 29684 C CB . MET A 1 49 ? 7.031 17.478 -2.131 1.00 0.00 ? 49 MET A CB 20 ATOM 29685 C CG . MET A 1 49 ? 7.544 16.246 -2.858 1.00 0.00 ? 49 MET A CG 20 ATOM 29686 S SD . MET A 1 49 ? 8.272 15.032 -1.741 1.00 0.00 ? 49 MET A SD 20 ATOM 29687 C CE . MET A 1 49 ? 7.054 15.009 -0.427 1.00 0.00 ? 49 MET A CE 20 ATOM 29688 H H . MET A 1 49 ? 4.927 16.784 -3.361 1.00 0.00 ? 49 MET A H 20 ATOM 29689 H HA . MET A 1 49 ? 5.849 19.238 -2.423 1.00 0.00 ? 49 MET A HA 20 ATOM 29690 H HB2 . MET A 1 49 ? 7.880 18.015 -1.735 1.00 0.00 ? 49 MET A HB2 20 ATOM 29691 H HB3 . MET A 1 49 ? 6.407 17.153 -1.313 1.00 0.00 ? 49 MET A HB3 20 ATOM 29692 H HG2 . MET A 1 49 ? 6.720 15.783 -3.381 1.00 0.00 ? 49 MET A HG2 20 ATOM 29693 H HG3 . MET A 1 49 ? 8.293 16.552 -3.573 1.00 0.00 ? 49 MET A HG3 20 ATOM 29694 H HE1 . MET A 1 49 ? 6.071 15.173 -0.844 1.00 0.00 ? 49 MET A HE1 20 ATOM 29695 H HE2 . MET A 1 49 ? 7.079 14.050 0.069 1.00 0.00 ? 49 MET A HE2 20 ATOM 29696 H HE3 . MET A 1 49 ? 7.278 15.790 0.285 1.00 0.00 ? 49 MET A HE3 20 ATOM 29697 N N . LYS A 1 50 ? 7.253 18.242 -5.212 1.00 0.00 ? 50 LYS A N 20 ATOM 29698 C CA . LYS A 1 50 ? 8.078 18.671 -6.335 1.00 0.00 ? 50 LYS A CA 20 ATOM 29699 C C . LYS A 1 50 ? 7.515 19.938 -6.971 1.00 0.00 ? 50 LYS A C 20 ATOM 29700 O O . LYS A 1 50 ? 8.204 20.624 -7.727 1.00 0.00 ? 50 LYS A O 20 ATOM 29701 C CB . LYS A 1 50 ? 8.167 17.558 -7.383 1.00 0.00 ? 50 LYS A CB 20 ATOM 29702 C CG . LYS A 1 50 ? 9.268 16.549 -7.106 1.00 0.00 ? 50 LYS A CG 20 ATOM 29703 C CD . LYS A 1 50 ? 9.340 15.490 -8.193 1.00 0.00 ? 50 LYS A CD 20 ATOM 29704 C CE . LYS A 1 50 ? 10.473 14.507 -7.940 1.00 0.00 ? 50 LYS A CE 20 ATOM 29705 N NZ . LYS A 1 50 ? 10.857 13.772 -9.177 1.00 0.00 ? 50 LYS A NZ 20 ATOM 29706 H H . LYS A 1 50 ? 6.788 17.380 -5.261 1.00 0.00 ? 50 LYS A H 20 ATOM 29707 H HA . LYS A 1 50 ? 9.068 18.880 -5.960 1.00 0.00 ? 50 LYS A HA 20 ATOM 29708 H HB2 . LYS A 1 50 ? 7.224 17.032 -7.413 1.00 0.00 ? 50 LYS A HB2 20 ATOM 29709 H HB3 . LYS A 1 50 ? 8.351 18.004 -8.349 1.00 0.00 ? 50 LYS A HB3 20 ATOM 29710 H HG2 . LYS A 1 50 ? 10.215 17.066 -7.059 1.00 0.00 ? 50 LYS A HG2 20 ATOM 29711 H HG3 . LYS A 1 50 ? 9.072 16.067 -6.158 1.00 0.00 ? 50 LYS A HG3 20 ATOM 29712 H HD2 . LYS A 1 50 ? 8.407 14.947 -8.217 1.00 0.00 ? 50 LYS A HD2 20 ATOM 29713 H HD3 . LYS A 1 50 ? 9.501 15.974 -9.145 1.00 0.00 ? 50 LYS A HD3 20 ATOM 29714 H HE2 . LYS A 1 50 ? 11.330 15.053 -7.575 1.00 0.00 ? 50 LYS A HE2 20 ATOM 29715 H HE3 . LYS A 1 50 ? 10.155 13.796 -7.192 1.00 0.00 ? 50 LYS A HE3 20 ATOM 29716 H HZ1 . LYS A 1 50 ? 10.481 12.803 -9.147 1.00 0.00 ? 50 LYS A HZ1 20 ATOM 29717 H HZ2 . LYS A 1 50 ? 11.892 13.728 -9.260 1.00 0.00 ? 50 LYS A HZ2 20 ATOM 29718 H HZ3 . LYS A 1 50 ? 10.473 14.256 -10.014 1.00 0.00 ? 50 LYS A HZ3 20 ATOM 29719 N N . LEU A 1 51 ? 6.260 20.243 -6.660 1.00 0.00 ? 51 LEU A N 20 ATOM 29720 C CA . LEU A 1 51 ? 5.605 21.430 -7.200 1.00 0.00 ? 51 LEU A CA 20 ATOM 29721 C C . LEU A 1 51 ? 5.468 22.510 -6.131 1.00 0.00 ? 51 LEU A C 20 ATOM 29722 O O . LEU A 1 51 ? 6.030 23.598 -6.257 1.00 0.00 ? 51 LEU A O 20 ATOM 29723 C CB . LEU A 1 51 ? 4.227 21.067 -7.755 1.00 0.00 ? 51 LEU A CB 20 ATOM 29724 C CG . LEU A 1 51 ? 4.216 20.159 -8.985 1.00 0.00 ? 51 LEU A CG 20 ATOM 29725 C CD1 . LEU A 1 51 ? 2.795 19.735 -9.323 1.00 0.00 ? 51 LEU A CD1 20 ATOM 29726 C CD2 . LEU A 1 51 ? 4.862 20.860 -10.171 1.00 0.00 ? 51 LEU A CD2 20 ATOM 29727 H H . LEU A 1 51 ? 5.762 19.658 -6.052 1.00 0.00 ? 51 LEU A H 20 ATOM 29728 H HA . LEU A 1 51 ? 6.219 21.810 -8.002 1.00 0.00 ? 51 LEU A HA 20 ATOM 29729 H HB2 . LEU A 1 51 ? 3.676 20.569 -6.972 1.00 0.00 ? 51 LEU A HB2 20 ATOM 29730 H HB3 . LEU A 1 51 ? 3.724 21.987 -8.017 1.00 0.00 ? 51 LEU A HB3 20 ATOM 29731 H HG . LEU A 1 51 ? 4.788 19.267 -8.771 1.00 0.00 ? 51 LEU A HG 20 ATOM 29732 H HD11 . LEU A 1 51 ? 2.782 18.683 -9.566 1.00 0.00 ? 51 LEU A HD11 20 ATOM 29733 H HD12 . LEU A 1 51 ? 2.441 20.305 -10.169 1.00 0.00 ? 51 LEU A HD12 20 ATOM 29734 H HD13 . LEU A 1 51 ? 2.154 19.917 -8.473 1.00 0.00 ? 51 LEU A HD13 20 ATOM 29735 H HD21 . LEU A 1 51 ? 5.862 21.168 -9.905 1.00 0.00 ? 51 LEU A HD21 20 ATOM 29736 H HD22 . LEU A 1 51 ? 4.277 21.729 -10.438 1.00 0.00 ? 51 LEU A HD22 20 ATOM 29737 H HD23 . LEU A 1 51 ? 4.905 20.182 -11.010 1.00 0.00 ? 51 LEU A HD23 20 ATOM 29738 N N . THR A 1 52 ? 4.718 22.200 -5.078 1.00 0.00 ? 52 THR A N 20 ATOM 29739 C CA . THR A 1 52 ? 4.508 23.143 -3.986 1.00 0.00 ? 52 THR A CA 20 ATOM 29740 C C . THR A 1 52 ? 5.779 23.930 -3.686 1.00 0.00 ? 52 THR A C 20 ATOM 29741 O O . THR A 1 52 ? 6.828 23.349 -3.411 1.00 0.00 ? 52 THR A O 20 ATOM 29742 C CB . THR A 1 52 ? 4.048 22.425 -2.704 1.00 0.00 ? 52 THR A CB 20 ATOM 29743 O OG1 . THR A 1 52 ? 3.312 23.330 -1.873 1.00 0.00 ? 52 THR A OG1 20 ATOM 29744 C CG2 . THR A 1 52 ? 5.239 21.876 -1.934 1.00 0.00 ? 52 THR A CG2 20 ATOM 29745 H H . THR A 1 52 ? 4.297 21.317 -5.035 1.00 0.00 ? 52 THR A H 20 ATOM 29746 H HA . THR A 1 52 ? 3.732 23.833 -4.286 1.00 0.00 ? 52 THR A HA 20 ATOM 29747 H HB . THR A 1 52 ? 3.406 21.601 -2.982 1.00 0.00 ? 52 THR A HB 20 ATOM 29748 H HG1 . THR A 1 52 ? 2.849 23.966 -2.423 1.00 0.00 ? 52 THR A HG1 20 ATOM 29749 H HG21 . THR A 1 52 ? 5.843 21.267 -2.591 1.00 0.00 ? 52 THR A HG21 20 ATOM 29750 H HG22 . THR A 1 52 ? 4.888 21.275 -1.108 1.00 0.00 ? 52 THR A HG22 20 ATOM 29751 H HG23 . THR A 1 52 ? 5.832 22.695 -1.557 1.00 0.00 ? 52 THR A HG23 20 ATOM 29752 N N . GLU A 1 53 ? 5.677 25.254 -3.741 1.00 0.00 ? 53 GLU A N 20 ATOM 29753 C CA . GLU A 1 53 ? 6.820 26.119 -3.475 1.00 0.00 ? 53 GLU A CA 20 ATOM 29754 C C . GLU A 1 53 ? 7.006 26.328 -1.975 1.00 0.00 ? 53 GLU A C 20 ATOM 29755 O O . GLU A 1 53 ? 8.124 26.531 -1.500 1.00 0.00 ? 53 GLU A O 20 ATOM 29756 C CB . GLU A 1 53 ? 6.638 27.470 -4.171 1.00 0.00 ? 53 GLU A CB 20 ATOM 29757 C CG . GLU A 1 53 ? 7.948 28.131 -4.567 1.00 0.00 ? 53 GLU A CG 20 ATOM 29758 C CD . GLU A 1 53 ? 7.769 29.173 -5.654 1.00 0.00 ? 53 GLU A CD 20 ATOM 29759 O OE1 . GLU A 1 53 ? 6.954 28.941 -6.571 1.00 0.00 ? 53 GLU A OE1 20 ATOM 29760 O OE2 . GLU A 1 53 ? 8.446 30.221 -5.588 1.00 0.00 ? 53 GLU A OE2 20 ATOM 29761 H H . GLU A 1 53 ? 4.813 25.659 -3.966 1.00 0.00 ? 53 GLU A H 20 ATOM 29762 H HA . GLU A 1 53 ? 7.700 25.637 -3.871 1.00 0.00 ? 53 GLU A HA 20 ATOM 29763 H HB2 . GLU A 1 53 ? 6.047 27.326 -5.063 1.00 0.00 ? 53 GLU A HB2 20 ATOM 29764 H HB3 . GLU A 1 53 ? 6.111 28.136 -3.504 1.00 0.00 ? 53 GLU A HB3 20 ATOM 29765 H HG2 . GLU A 1 53 ? 8.372 28.611 -3.697 1.00 0.00 ? 53 GLU A HG2 20 ATOM 29766 H HG3 . GLU A 1 53 ? 8.626 27.371 -4.925 1.00 0.00 ? 53 GLU A HG3 20 ATOM 29767 N N . SER A 1 54 ? 5.903 26.278 -1.235 1.00 0.00 ? 54 SER A N 20 ATOM 29768 C CA . SER A 1 54 ? 5.944 26.466 0.211 1.00 0.00 ? 54 SER A CA 20 ATOM 29769 C C . SER A 1 54 ? 6.691 25.320 0.887 1.00 0.00 ? 54 SER A C 20 ATOM 29770 O O . SER A 1 54 ? 6.673 24.187 0.409 1.00 0.00 ? 54 SER A O 20 ATOM 29771 C CB . SER A 1 54 ? 4.524 26.566 0.773 1.00 0.00 ? 54 SER A CB 20 ATOM 29772 O OG . SER A 1 54 ? 3.943 27.822 0.468 1.00 0.00 ? 54 SER A OG 20 ATOM 29773 H H . SER A 1 54 ? 5.042 26.112 -1.672 1.00 0.00 ? 54 SER A H 20 ATOM 29774 H HA . SER A 1 54 ? 6.467 27.389 0.411 1.00 0.00 ? 54 SER A HA 20 ATOM 29775 H HB2 . SER A 1 54 ? 3.914 25.786 0.343 1.00 0.00 ? 54 SER A HB2 20 ATOM 29776 H HB3 . SER A 1 54 ? 4.556 26.448 1.846 1.00 0.00 ? 54 SER A HB3 20 ATOM 29777 H HG . SER A 1 54 ? 3.334 27.723 -0.268 1.00 0.00 ? 54 SER A HG 20 ATOM 29778 N N . GLU A 1 55 ? 7.346 25.627 2.002 1.00 0.00 ? 55 GLU A N 20 ATOM 29779 C CA . GLU A 1 55 ? 8.100 24.623 2.744 1.00 0.00 ? 55 GLU A CA 20 ATOM 29780 C C . GLU A 1 55 ? 7.164 23.709 3.529 1.00 0.00 ? 55 GLU A C 20 ATOM 29781 O O . GLU A 1 55 ? 7.111 22.503 3.286 1.00 0.00 ? 55 GLU A O 20 ATOM 29782 C CB . GLU A 1 55 ? 9.089 25.298 3.697 1.00 0.00 ? 55 GLU A CB 20 ATOM 29783 C CG . GLU A 1 55 ? 10.077 24.333 4.332 1.00 0.00 ? 55 GLU A CG 20 ATOM 29784 C CD . GLU A 1 55 ? 11.093 25.035 5.214 1.00 0.00 ? 55 GLU A CD 20 ATOM 29785 O OE1 . GLU A 1 55 ? 10.704 25.512 6.300 1.00 0.00 ? 55 GLU A OE1 20 ATOM 29786 O OE2 . GLU A 1 55 ? 12.274 25.106 4.817 1.00 0.00 ? 55 GLU A OE2 20 ATOM 29787 H H . GLU A 1 55 ? 7.322 26.548 2.334 1.00 0.00 ? 55 GLU A H 20 ATOM 29788 H HA . GLU A 1 55 ? 8.651 24.028 2.031 1.00 0.00 ? 55 GLU A HA 20 ATOM 29789 H HB2 . GLU A 1 55 ? 9.647 26.044 3.150 1.00 0.00 ? 55 GLU A HB2 20 ATOM 29790 H HB3 . GLU A 1 55 ? 8.535 25.783 4.487 1.00 0.00 ? 55 GLU A HB3 20 ATOM 29791 H HG2 . GLU A 1 55 ? 9.531 23.623 4.934 1.00 0.00 ? 55 GLU A HG2 20 ATOM 29792 H HG3 . GLU A 1 55 ? 10.604 23.809 3.548 1.00 0.00 ? 55 GLU A HG3 20 ATOM 29793 N N . GLN A 1 56 ? 6.429 24.292 4.470 1.00 0.00 ? 56 GLN A N 20 ATOM 29794 C CA . GLN A 1 56 ? 5.496 23.529 5.292 1.00 0.00 ? 56 GLN A CA 20 ATOM 29795 C C . GLN A 1 56 ? 4.789 22.461 4.464 1.00 0.00 ? 56 GLN A C 20 ATOM 29796 O O . GLN A 1 56 ? 4.754 21.291 4.842 1.00 0.00 ? 56 GLN A O 20 ATOM 29797 C CB . GLN A 1 56 ? 4.465 24.463 5.929 1.00 0.00 ? 56 GLN A CB 20 ATOM 29798 C CG . GLN A 1 56 ? 4.934 25.087 7.234 1.00 0.00 ? 56 GLN A CG 20 ATOM 29799 C CD . GLN A 1 56 ? 4.690 24.189 8.431 1.00 0.00 ? 56 GLN A CD 20 ATOM 29800 O OE1 . GLN A 1 56 ? 4.624 22.967 8.302 1.00 0.00 ? 56 GLN A OE1 20 ATOM 29801 N NE2 . GLN A 1 56 ? 4.555 24.793 9.606 1.00 0.00 ? 56 GLN A NE2 20 ATOM 29802 H H . GLN A 1 56 ? 6.517 25.256 4.616 1.00 0.00 ? 56 GLN A H 20 ATOM 29803 H HA . GLN A 1 56 ? 6.062 23.045 6.073 1.00 0.00 ? 56 GLN A HA 20 ATOM 29804 H HB2 . GLN A 1 56 ? 4.239 25.258 5.235 1.00 0.00 ? 56 GLN A HB2 20 ATOM 29805 H HB3 . GLN A 1 56 ? 3.564 23.902 6.128 1.00 0.00 ? 56 GLN A HB3 20 ATOM 29806 H HG2 . GLN A 1 56 ? 5.993 25.285 7.163 1.00 0.00 ? 56 GLN A HG2 20 ATOM 29807 H HG3 . GLN A 1 56 ? 4.404 26.016 7.384 1.00 0.00 ? 56 GLN A HG3 20 ATOM 29808 H HE21 . GLN A 1 56 ? 4.619 25.771 9.633 1.00 0.00 ? 56 GLN A HE21 20 ATOM 29809 H HE22 . GLN A 1 56 ? 4.396 24.238 10.396 1.00 0.00 ? 56 GLN A HE22 20 ATOM 29810 N N . ALA A 1 57 ? 4.227 22.873 3.332 1.00 0.00 ? 57 ALA A N 20 ATOM 29811 C CA . ALA A 1 57 ? 3.522 21.951 2.450 1.00 0.00 ? 57 ALA A CA 20 ATOM 29812 C C . ALA A 1 57 ? 4.390 20.744 2.112 1.00 0.00 ? 57 ALA A C 20 ATOM 29813 O O . ALA A 1 57 ? 3.928 19.603 2.153 1.00 0.00 ? 57 ALA A O 20 ATOM 29814 C CB . ALA A 1 57 ? 3.089 22.665 1.178 1.00 0.00 ? 57 ALA A CB 20 ATOM 29815 H H . ALA A 1 57 ? 4.289 23.819 3.084 1.00 0.00 ? 57 ALA A H 20 ATOM 29816 H HA . ALA A 1 57 ? 2.634 21.611 2.963 1.00 0.00 ? 57 ALA A HA 20 ATOM 29817 H HB1 . ALA A 1 57 ? 3.285 22.031 0.326 1.00 0.00 ? 57 ALA A HB1 20 ATOM 29818 H HB2 . ALA A 1 57 ? 2.032 22.882 1.230 1.00 0.00 ? 57 ALA A HB2 20 ATOM 29819 H HB3 . ALA A 1 57 ? 3.642 23.586 1.077 1.00 0.00 ? 57 ALA A HB3 20 ATOM 29820 N N . HIS A 1 58 ? 5.650 21.001 1.776 1.00 0.00 ? 58 HIS A N 20 ATOM 29821 C CA . HIS A 1 58 ? 6.583 19.935 1.431 1.00 0.00 ? 58 HIS A CA 20 ATOM 29822 C C . HIS A 1 58 ? 6.752 18.962 2.594 1.00 0.00 ? 58 HIS A C 20 ATOM 29823 O O . HIS A 1 58 ? 7.068 17.788 2.395 1.00 0.00 ? 58 HIS A O 20 ATOM 29824 C CB . HIS A 1 58 ? 7.940 20.522 1.041 1.00 0.00 ? 58 HIS A CB 20 ATOM 29825 C CG . HIS A 1 58 ? 8.992 19.485 0.791 1.00 0.00 ? 58 HIS A CG 20 ATOM 29826 N ND1 . HIS A 1 58 ? 9.515 18.688 1.787 1.00 0.00 ? 58 HIS A ND1 20 ATOM 29827 C CD2 . HIS A 1 58 ? 9.616 19.115 -0.352 1.00 0.00 ? 58 HIS A CD2 20 ATOM 29828 C CE1 . HIS A 1 58 ? 10.417 17.875 1.269 1.00 0.00 ? 58 HIS A CE1 20 ATOM 29829 N NE2 . HIS A 1 58 ? 10.497 18.113 -0.028 1.00 0.00 ? 58 HIS A NE2 20 ATOM 29830 H H . HIS A 1 58 ? 5.960 21.931 1.762 1.00 0.00 ? 58 HIS A H 20 ATOM 29831 H HA . HIS A 1 58 ? 6.176 19.399 0.586 1.00 0.00 ? 58 HIS A HA 20 ATOM 29832 H HB2 . HIS A 1 58 ? 7.827 21.103 0.138 1.00 0.00 ? 58 HIS A HB2 20 ATOM 29833 H HB3 . HIS A 1 58 ? 8.289 21.164 1.836 1.00 0.00 ? 58 HIS A HB3 20 ATOM 29834 H HD1 . HIS A 1 58 ? 9.264 18.716 2.733 1.00 0.00 ? 58 HIS A HD1 20 ATOM 29835 H HD2 . HIS A 1 58 ? 9.453 19.531 -1.336 1.00 0.00 ? 58 HIS A HD2 20 ATOM 29836 H HE1 . HIS A 1 58 ? 10.992 17.139 1.812 1.00 0.00 ? 58 HIS A HE1 20 ATOM 29837 H HE2 . HIS A 1 58 ? 11.150 17.709 -0.637 1.00 0.00 ? 58 HIS A HE2 20 ATOM 29838 N N . LEU A 1 59 ? 6.539 19.457 3.808 1.00 0.00 ? 59 LEU A N 20 ATOM 29839 C CA . LEU A 1 59 ? 6.668 18.632 5.004 1.00 0.00 ? 59 LEU A CA 20 ATOM 29840 C C . LEU A 1 59 ? 5.500 17.658 5.122 1.00 0.00 ? 59 LEU A C 20 ATOM 29841 O O . LEU A 1 59 ? 5.696 16.445 5.201 1.00 0.00 ? 59 LEU A O 20 ATOM 29842 C CB . LEU A 1 59 ? 6.739 19.515 6.252 1.00 0.00 ? 59 LEU A CB 20 ATOM 29843 C CG . LEU A 1 59 ? 7.582 20.784 6.129 1.00 0.00 ? 59 LEU A CG 20 ATOM 29844 C CD1 . LEU A 1 59 ? 7.617 21.533 7.452 1.00 0.00 ? 59 LEU A CD1 20 ATOM 29845 C CD2 . LEU A 1 59 ? 8.993 20.445 5.669 1.00 0.00 ? 59 LEU A CD2 20 ATOM 29846 H H . LEU A 1 59 ? 6.290 20.400 3.904 1.00 0.00 ? 59 LEU A H 20 ATOM 29847 H HA . LEU A 1 59 ? 7.585 18.068 4.920 1.00 0.00 ? 59 LEU A HA 20 ATOM 29848 H HB2 . LEU A 1 59 ? 5.733 19.810 6.505 1.00 0.00 ? 59 LEU A HB2 20 ATOM 29849 H HB3 . LEU A 1 59 ? 7.151 18.919 7.054 1.00 0.00 ? 59 LEU A HB3 20 ATOM 29850 H HG . LEU A 1 59 ? 7.136 21.435 5.389 1.00 0.00 ? 59 LEU A HG 20 ATOM 29851 H HD11 . LEU A 1 59 ? 8.162 22.456 7.329 1.00 0.00 ? 59 LEU A HD11 20 ATOM 29852 H HD12 . LEU A 1 59 ? 8.105 20.923 8.198 1.00 0.00 ? 59 LEU A HD12 20 ATOM 29853 H HD13 . LEU A 1 59 ? 6.607 21.749 7.769 1.00 0.00 ? 59 LEU A HD13 20 ATOM 29854 H HD21 . LEU A 1 59 ? 9.515 21.354 5.411 1.00 0.00 ? 59 LEU A HD21 20 ATOM 29855 H HD22 . LEU A 1 59 ? 8.944 19.800 4.803 1.00 0.00 ? 59 LEU A HD22 20 ATOM 29856 H HD23 . LEU A 1 59 ? 9.519 19.940 6.465 1.00 0.00 ? 59 LEU A HD23 20 ATOM 29857 N N . SER A 1 60 ? 4.285 18.197 5.132 1.00 0.00 ? 60 SER A N 20 ATOM 29858 C CA . SER A 1 60 ? 3.086 17.376 5.242 1.00 0.00 ? 60 SER A CA 20 ATOM 29859 C C . SER A 1 60 ? 3.169 16.165 4.317 1.00 0.00 ? 60 SER A C 20 ATOM 29860 O O . SER A 1 60 ? 2.503 15.153 4.538 1.00 0.00 ? 60 SER A O 20 ATOM 29861 C CB . SER A 1 60 ? 1.843 18.203 4.907 1.00 0.00 ? 60 SER A CB 20 ATOM 29862 O OG . SER A 1 60 ? 1.460 19.015 6.003 1.00 0.00 ? 60 SER A OG 20 ATOM 29863 H H . SER A 1 60 ? 4.194 19.171 5.066 1.00 0.00 ? 60 SER A H 20 ATOM 29864 H HA . SER A 1 60 ? 3.013 17.030 6.262 1.00 0.00 ? 60 SER A HA 20 ATOM 29865 H HB2 . SER A 1 60 ? 2.055 18.838 4.060 1.00 0.00 ? 60 SER A HB2 20 ATOM 29866 H HB3 . SER A 1 60 ? 1.027 17.539 4.663 1.00 0.00 ? 60 SER A HB3 20 ATOM 29867 H HG . SER A 1 60 ? 0.963 19.771 5.683 1.00 0.00 ? 60 SER A HG 20 ATOM 29868 N N . LEU A 1 61 ? 3.992 16.277 3.280 1.00 0.00 ? 61 LEU A N 20 ATOM 29869 C CA . LEU A 1 61 ? 4.164 15.193 2.320 1.00 0.00 ? 61 LEU A CA 20 ATOM 29870 C C . LEU A 1 61 ? 5.311 14.276 2.733 1.00 0.00 ? 61 LEU A C 20 ATOM 29871 O O . LEU A 1 61 ? 5.157 13.056 2.778 1.00 0.00 ? 61 LEU A O 20 ATOM 29872 C CB . LEU A 1 61 ? 4.427 15.759 0.923 1.00 0.00 ? 61 LEU A CB 20 ATOM 29873 C CG . LEU A 1 61 ? 3.455 16.836 0.441 1.00 0.00 ? 61 LEU A CG 20 ATOM 29874 C CD1 . LEU A 1 61 ? 4.024 17.569 -0.763 1.00 0.00 ? 61 LEU A CD1 20 ATOM 29875 C CD2 . LEU A 1 61 ? 2.104 16.222 0.105 1.00 0.00 ? 61 LEU A CD2 20 ATOM 29876 H H . LEU A 1 61 ? 4.496 17.108 3.156 1.00 0.00 ? 61 LEU A H 20 ATOM 29877 H HA . LEU A 1 61 ? 3.250 14.619 2.300 1.00 0.00 ? 61 LEU A HA 20 ATOM 29878 H HB2 . LEU A 1 61 ? 5.419 16.184 0.920 1.00 0.00 ? 61 LEU A HB2 20 ATOM 29879 H HB3 . LEU A 1 61 ? 4.387 14.937 0.221 1.00 0.00 ? 61 LEU A HB3 20 ATOM 29880 H HG . LEU A 1 61 ? 3.308 17.559 1.232 1.00 0.00 ? 61 LEU A HG 20 ATOM 29881 H HD11 . LEU A 1 61 ? 4.354 16.851 -1.499 1.00 0.00 ? 61 LEU A HD11 20 ATOM 29882 H HD12 . LEU A 1 61 ? 4.862 18.176 -0.452 1.00 0.00 ? 61 LEU A HD12 20 ATOM 29883 H HD13 . LEU A 1 61 ? 3.262 18.202 -1.193 1.00 0.00 ? 61 LEU A HD13 20 ATOM 29884 H HD21 . LEU A 1 61 ? 2.105 15.892 -0.924 1.00 0.00 ? 61 LEU A HD21 20 ATOM 29885 H HD22 . LEU A 1 61 ? 1.328 16.962 0.244 1.00 0.00 ? 61 LEU A HD22 20 ATOM 29886 H HD23 . LEU A 1 61 ? 1.919 15.379 0.754 1.00 0.00 ? 61 LEU A HD23 20 ATOM 29887 N N . GLU A 1 62 ? 6.459 14.873 3.037 1.00 0.00 ? 62 GLU A N 20 ATOM 29888 C CA . GLU A 1 62 ? 7.631 14.109 3.449 1.00 0.00 ? 62 GLU A CA 20 ATOM 29889 C C . GLU A 1 62 ? 7.305 13.212 4.639 1.00 0.00 ? 62 GLU A C 20 ATOM 29890 O O . GLU A 1 62 ? 8.007 12.235 4.905 1.00 0.00 ? 62 GLU A O 20 ATOM 29891 C CB . GLU A 1 62 ? 8.782 15.052 3.808 1.00 0.00 ? 62 GLU A CB 20 ATOM 29892 C CG . GLU A 1 62 ? 8.777 15.493 5.262 1.00 0.00 ? 62 GLU A CG 20 ATOM 29893 C CD . GLU A 1 62 ? 9.967 16.366 5.611 1.00 0.00 ? 62 GLU A CD 20 ATOM 29894 O OE1 . GLU A 1 62 ? 9.943 17.566 5.269 1.00 0.00 ? 62 GLU A OE1 20 ATOM 29895 O OE2 . GLU A 1 62 ? 10.921 15.847 6.227 1.00 0.00 ? 62 GLU A OE2 20 ATOM 29896 H H . GLU A 1 62 ? 6.520 15.850 2.982 1.00 0.00 ? 62 GLU A H 20 ATOM 29897 H HA . GLU A 1 62 ? 7.932 13.490 2.618 1.00 0.00 ? 62 GLU A HA 20 ATOM 29898 H HB2 . GLU A 1 62 ? 9.718 14.551 3.607 1.00 0.00 ? 62 GLU A HB2 20 ATOM 29899 H HB3 . GLU A 1 62 ? 8.716 15.933 3.186 1.00 0.00 ? 62 GLU A HB3 20 ATOM 29900 H HG2 . GLU A 1 62 ? 7.872 16.051 5.452 1.00 0.00 ? 62 GLU A HG2 20 ATOM 29901 H HG3 . GLU A 1 62 ? 8.796 14.615 5.891 1.00 0.00 ? 62 GLU A HG3 20 ATOM 29902 N N . LEU A 1 63 ? 6.236 13.549 5.352 1.00 0.00 ? 63 LEU A N 20 ATOM 29903 C CA . LEU A 1 63 ? 5.816 12.775 6.514 1.00 0.00 ? 63 LEU A CA 20 ATOM 29904 C C . LEU A 1 63 ? 4.821 11.690 6.115 1.00 0.00 ? 63 LEU A C 20 ATOM 29905 O O . LEU A 1 63 ? 5.045 10.507 6.368 1.00 0.00 ? 63 LEU A O 20 ATOM 29906 C CB . LEU A 1 63 ? 5.191 13.694 7.565 1.00 0.00 ? 63 LEU A CB 20 ATOM 29907 C CG . LEU A 1 63 ? 6.160 14.597 8.330 1.00 0.00 ? 63 LEU A CG 20 ATOM 29908 C CD1 . LEU A 1 63 ? 5.398 15.649 9.121 1.00 0.00 ? 63 LEU A CD1 20 ATOM 29909 C CD2 . LEU A 1 63 ? 7.043 13.769 9.252 1.00 0.00 ? 63 LEU A CD2 20 ATOM 29910 H H . LEU A 1 63 ? 5.717 14.338 5.091 1.00 0.00 ? 63 LEU A H 20 ATOM 29911 H HA . LEU A 1 63 ? 6.693 12.306 6.934 1.00 0.00 ? 63 LEU A HA 20 ATOM 29912 H HB2 . LEU A 1 63 ? 4.474 14.328 7.065 1.00 0.00 ? 63 LEU A HB2 20 ATOM 29913 H HB3 . LEU A 1 63 ? 4.678 13.072 8.285 1.00 0.00 ? 63 LEU A HB3 20 ATOM 29914 H HG . LEU A 1 63 ? 6.799 15.108 7.623 1.00 0.00 ? 63 LEU A HG 20 ATOM 29915 H HD11 . LEU A 1 63 ? 5.815 16.624 8.916 1.00 0.00 ? 63 LEU A HD11 20 ATOM 29916 H HD12 . LEU A 1 63 ? 5.481 15.436 10.176 1.00 0.00 ? 63 LEU A HD12 20 ATOM 29917 H HD13 . LEU A 1 63 ? 4.358 15.633 8.831 1.00 0.00 ? 63 LEU A HD13 20 ATOM 29918 H HD21 . LEU A 1 63 ? 7.966 14.300 9.437 1.00 0.00 ? 63 LEU A HD21 20 ATOM 29919 H HD22 . LEU A 1 63 ? 7.263 12.820 8.784 1.00 0.00 ? 63 LEU A HD22 20 ATOM 29920 H HD23 . LEU A 1 63 ? 6.530 13.601 10.187 1.00 0.00 ? 63 LEU A HD23 20 ATOM 29921 N N . GLN A 1 64 ? 3.723 12.102 5.489 1.00 0.00 ? 64 GLN A N 20 ATOM 29922 C CA . GLN A 1 64 ? 2.696 11.164 5.053 1.00 0.00 ? 64 GLN A CA 20 ATOM 29923 C C . GLN A 1 64 ? 3.290 10.081 4.159 1.00 0.00 ? 64 GLN A C 20 ATOM 29924 O O . GLN A 1 64 ? 2.961 8.902 4.292 1.00 0.00 ? 64 GLN A O 20 ATOM 29925 C CB . GLN A 1 64 ? 1.583 11.903 4.308 1.00 0.00 ? 64 GLN A CB 20 ATOM 29926 C CG . GLN A 1 64 ? 0.322 11.076 4.120 1.00 0.00 ? 64 GLN A CG 20 ATOM 29927 C CD . GLN A 1 64 ? -0.107 10.369 5.391 1.00 0.00 ? 64 GLN A CD 20 ATOM 29928 O OE1 . GLN A 1 64 ? 0.392 9.292 5.715 1.00 0.00 ? 64 GLN A OE1 20 ATOM 29929 N NE2 . GLN A 1 64 ? -1.038 10.974 6.119 1.00 0.00 ? 64 GLN A NE2 20 ATOM 29930 H H . GLN A 1 64 ? 3.602 13.058 5.316 1.00 0.00 ? 64 GLN A H 20 ATOM 29931 H HA . GLN A 1 64 ? 2.278 10.698 5.933 1.00 0.00 ? 64 GLN A HA 20 ATOM 29932 H HB2 . GLN A 1 64 ? 1.325 12.793 4.862 1.00 0.00 ? 64 GLN A HB2 20 ATOM 29933 H HB3 . GLN A 1 64 ? 1.948 12.189 3.332 1.00 0.00 ? 64 GLN A HB3 20 ATOM 29934 H HG2 . GLN A 1 64 ? -0.477 11.728 3.802 1.00 0.00 ? 64 GLN A HG2 20 ATOM 29935 H HG3 . GLN A 1 64 ? 0.505 10.333 3.357 1.00 0.00 ? 64 GLN A HG3 20 ATOM 29936 H HE21 . GLN A 1 64 ? -1.392 11.831 5.798 1.00 0.00 ? 64 GLN A HE21 20 ATOM 29937 H HE22 . GLN A 1 64 ? -1.335 10.540 6.945 1.00 0.00 ? 64 GLN A HE22 20 ATOM 29938 N N . ARG A 1 65 ? 4.168 10.489 3.248 1.00 0.00 ? 65 ARG A N 20 ATOM 29939 C CA . ARG A 1 65 ? 4.807 9.553 2.330 1.00 0.00 ? 65 ARG A CA 20 ATOM 29940 C C . ARG A 1 65 ? 5.480 8.417 3.094 1.00 0.00 ? 65 ARG A C 20 ATOM 29941 O O . ARG A 1 65 ? 5.335 7.247 2.741 1.00 0.00 ? 65 ARG A O 20 ATOM 29942 C CB . ARG A 1 65 ? 5.837 10.280 1.463 1.00 0.00 ? 65 ARG A CB 20 ATOM 29943 C CG . ARG A 1 65 ? 6.262 9.493 0.235 1.00 0.00 ? 65 ARG A CG 20 ATOM 29944 C CD . ARG A 1 65 ? 7.492 10.103 -0.420 1.00 0.00 ? 65 ARG A CD 20 ATOM 29945 N NE . ARG A 1 65 ? 8.685 9.950 0.408 1.00 0.00 ? 65 ARG A NE 20 ATOM 29946 C CZ . ARG A 1 65 ? 9.923 10.009 -0.070 1.00 0.00 ? 65 ARG A CZ 20 ATOM 29947 N NH1 . ARG A 1 65 ? 10.129 10.216 -1.363 1.00 0.00 ? 65 ARG A NH1 20 ATOM 29948 N NH2 . ARG A 1 65 ? 10.959 9.860 0.746 1.00 0.00 ? 65 ARG A NH2 20 ATOM 29949 H H . ARG A 1 65 ? 4.390 11.442 3.190 1.00 0.00 ? 65 ARG A H 20 ATOM 29950 H HA . ARG A 1 65 ? 4.041 9.138 1.693 1.00 0.00 ? 65 ARG A HA 20 ATOM 29951 H HB2 . ARG A 1 65 ? 5.415 11.218 1.134 1.00 0.00 ? 65 ARG A HB2 20 ATOM 29952 H HB3 . ARG A 1 65 ? 6.715 10.478 2.059 1.00 0.00 ? 65 ARG A HB3 20 ATOM 29953 H HG2 . ARG A 1 65 ? 6.491 8.479 0.529 1.00 0.00 ? 65 ARG A HG2 20 ATOM 29954 H HG3 . ARG A 1 65 ? 5.450 9.489 -0.477 1.00 0.00 ? 65 ARG A HG3 20 ATOM 29955 H HD2 . ARG A 1 65 ? 7.658 9.615 -1.368 1.00 0.00 ? 65 ARG A HD2 20 ATOM 29956 H HD3 . ARG A 1 65 ? 7.311 11.155 -0.584 1.00 0.00 ? 65 ARG A HD3 20 ATOM 29957 H HE . ARG A 1 65 ? 8.556 9.796 1.366 1.00 0.00 ? 65 ARG A HE 20 ATOM 29958 H HH11 . ARG A 1 65 ? 9.351 10.329 -1.981 1.00 0.00 ? 65 ARG A HH11 20 ATOM 29959 H HH12 . ARG A 1 65 ? 11.062 10.260 -1.720 1.00 0.00 ? 65 ARG A HH12 20 ATOM 29960 H HH21 . ARG A 1 65 ? 10.807 9.704 1.722 1.00 0.00 ? 65 ARG A HH21 20 ATOM 29961 H HH22 . ARG A 1 65 ? 11.890 9.904 0.386 1.00 0.00 ? 65 ARG A HH22 20 ATOM 29962 N N . ASP A 1 66 ? 6.217 8.771 4.142 1.00 0.00 ? 66 ASP A N 20 ATOM 29963 C CA . ASP A 1 66 ? 6.913 7.781 4.956 1.00 0.00 ? 66 ASP A CA 20 ATOM 29964 C C . ASP A 1 66 ? 6.084 6.507 5.088 1.00 0.00 ? 66 ASP A C 20 ATOM 29965 O O . ASP A 1 66 ? 6.452 5.458 4.559 1.00 0.00 ? 66 ASP A O 20 ATOM 29966 C CB . ASP A 1 66 ? 7.217 8.352 6.342 1.00 0.00 ? 66 ASP A CB 20 ATOM 29967 C CG . ASP A 1 66 ? 7.813 7.318 7.277 1.00 0.00 ? 66 ASP A CG 20 ATOM 29968 O OD1 . ASP A 1 66 ? 8.966 6.901 7.041 1.00 0.00 ? 66 ASP A OD1 20 ATOM 29969 O OD2 . ASP A 1 66 ? 7.126 6.925 8.243 1.00 0.00 ? 66 ASP A OD2 20 ATOM 29970 H H . ASP A 1 66 ? 6.294 9.720 4.373 1.00 0.00 ? 66 ASP A H 20 ATOM 29971 H HA . ASP A 1 66 ? 7.843 7.541 4.464 1.00 0.00 ? 66 ASP A HA 20 ATOM 29972 H HB2 . ASP A 1 66 ? 7.919 9.167 6.242 1.00 0.00 ? 66 ASP A HB2 20 ATOM 29973 H HB3 . ASP A 1 66 ? 6.301 8.722 6.780 1.00 0.00 ? 66 ASP A HB3 20 ATOM 29974 N N . SER A 1 67 ? 4.966 6.605 5.799 1.00 0.00 ? 67 SER A N 20 ATOM 29975 C CA . SER A 1 67 ? 4.087 5.459 6.005 1.00 0.00 ? 67 SER A CA 20 ATOM 29976 C C . SER A 1 67 ? 3.762 4.779 4.679 1.00 0.00 ? 67 SER A C 20 ATOM 29977 O O . SER A 1 67 ? 4.050 3.598 4.486 1.00 0.00 ? 67 SER A O 20 ATOM 29978 C CB . SER A 1 67 ? 2.796 5.898 6.697 1.00 0.00 ? 67 SER A CB 20 ATOM 29979 O OG . SER A 1 67 ? 3.071 6.557 7.921 1.00 0.00 ? 67 SER A OG 20 ATOM 29980 H H . SER A 1 67 ? 4.727 7.469 6.197 1.00 0.00 ? 67 SER A H 20 ATOM 29981 H HA . SER A 1 67 ? 4.605 4.755 6.640 1.00 0.00 ? 67 SER A HA 20 ATOM 29982 H HB2 . SER A 1 67 ? 2.256 6.574 6.052 1.00 0.00 ? 67 SER A HB2 20 ATOM 29983 H HB3 . SER A 1 67 ? 2.186 5.029 6.899 1.00 0.00 ? 67 SER A HB3 20 ATOM 29984 H HG . SER A 1 67 ? 2.262 6.939 8.269 1.00 0.00 ? 67 SER A HG 20 ATOM 29985 N N . HIS A 1 68 ? 3.158 5.534 3.766 1.00 0.00 ? 68 HIS A N 20 ATOM 29986 C CA . HIS A 1 68 ? 2.792 5.006 2.457 1.00 0.00 ? 68 HIS A CA 20 ATOM 29987 C C . HIS A 1 68 ? 3.837 4.011 1.962 1.00 0.00 ? 68 HIS A C 20 ATOM 29988 O O . HIS A 1 68 ? 3.517 3.071 1.234 1.00 0.00 ? 68 HIS A O 20 ATOM 29989 C CB . HIS A 1 68 ? 2.638 6.145 1.449 1.00 0.00 ? 68 HIS A CB 20 ATOM 29990 C CG . HIS A 1 68 ? 1.274 6.765 1.450 1.00 0.00 ? 68 HIS A CG 20 ATOM 29991 N ND1 . HIS A 1 68 ? 0.117 6.039 1.260 1.00 0.00 ? 68 HIS A ND1 20 ATOM 29992 C CD2 . HIS A 1 68 ? 0.886 8.050 1.620 1.00 0.00 ? 68 HIS A CD2 20 ATOM 29993 C CE1 . HIS A 1 68 ? -0.923 6.851 1.312 1.00 0.00 ? 68 HIS A CE1 20 ATOM 29994 N NE2 . HIS A 1 68 ? -0.484 8.077 1.530 1.00 0.00 ? 68 HIS A NE2 20 ATOM 29995 H H . HIS A 1 68 ? 2.954 6.469 3.979 1.00 0.00 ? 68 HIS A H 20 ATOM 29996 H HA . HIS A 1 68 ? 1.846 4.496 2.558 1.00 0.00 ? 68 HIS A HA 20 ATOM 29997 H HB2 . HIS A 1 68 ? 3.354 6.920 1.679 1.00 0.00 ? 68 HIS A HB2 20 ATOM 29998 H HB3 . HIS A 1 68 ? 2.831 5.767 0.455 1.00 0.00 ? 68 HIS A HB3 20 ATOM 29999 H HD1 . HIS A 1 68 ? 0.067 5.072 1.109 1.00 0.00 ? 68 HIS A HD1 20 ATOM 30000 H HD2 . HIS A 1 68 ? 1.533 8.899 1.794 1.00 0.00 ? 68 HIS A HD2 20 ATOM 30001 H HE1 . HIS A 1 68 ? -1.957 6.562 1.197 1.00 0.00 ? 68 HIS A HE1 20 ATOM 30002 H HE2 . HIS A 1 68 ? -1.040 8.884 1.528 1.00 0.00 ? 68 HIS A HE2 20 ATOM 30003 N N . MET A 1 69 ? 5.087 4.225 2.361 1.00 0.00 ? 69 MET A N 20 ATOM 30004 C CA . MET A 1 69 ? 6.178 3.346 1.957 1.00 0.00 ? 69 MET A CA 20 ATOM 30005 C C . MET A 1 69 ? 6.428 2.270 3.010 1.00 0.00 ? 69 MET A C 20 ATOM 30006 O O . MET A 1 69 ? 6.590 1.094 2.684 1.00 0.00 ? 69 MET A O 20 ATOM 30007 C CB . MET A 1 69 ? 7.455 4.156 1.727 1.00 0.00 ? 69 MET A CB 20 ATOM 30008 C CG . MET A 1 69 ? 7.587 4.694 0.311 1.00 0.00 ? 69 MET A CG 20 ATOM 30009 S SD . MET A 1 69 ? 7.563 3.389 -0.933 1.00 0.00 ? 69 MET A SD 20 ATOM 30010 C CE . MET A 1 69 ? 9.079 2.520 -0.541 1.00 0.00 ? 69 MET A CE 20 ATOM 30011 H H . MET A 1 69 ? 5.280 4.991 2.941 1.00 0.00 ? 69 MET A H 20 ATOM 30012 H HA . MET A 1 69 ? 5.894 2.868 1.032 1.00 0.00 ? 69 MET A HA 20 ATOM 30013 H HB2 . MET A 1 69 ? 7.465 4.993 2.409 1.00 0.00 ? 69 MET A HB2 20 ATOM 30014 H HB3 . MET A 1 69 ? 8.309 3.527 1.930 1.00 0.00 ? 69 MET A HB3 20 ATOM 30015 H HG2 . MET A 1 69 ? 6.767 5.370 0.119 1.00 0.00 ? 69 MET A HG2 20 ATOM 30016 H HG3 . MET A 1 69 ? 8.520 5.232 0.231 1.00 0.00 ? 69 MET A HG3 20 ATOM 30017 H HE1 . MET A 1 69 ? 9.427 2.825 0.435 1.00 0.00 ? 69 MET A HE1 20 ATOM 30018 H HE2 . MET A 1 69 ? 8.893 1.456 -0.541 1.00 0.00 ? 69 MET A HE2 20 ATOM 30019 H HE3 . MET A 1 69 ? 9.830 2.755 -1.281 1.00 0.00 ? 69 MET A HE3 20 ATOM 30020 N N . LYS A 1 70 ? 6.457 2.680 4.273 1.00 0.00 ? 70 LYS A N 20 ATOM 30021 C CA . LYS A 1 70 ? 6.685 1.752 5.374 1.00 0.00 ? 70 LYS A CA 20 ATOM 30022 C C . LYS A 1 70 ? 5.816 0.508 5.226 1.00 0.00 ? 70 LYS A C 20 ATOM 30023 O O . LYS A 1 70 ? 6.240 -0.599 5.558 1.00 0.00 ? 70 LYS A O 20 ATOM 30024 C CB . LYS A 1 70 ? 6.393 2.435 6.712 1.00 0.00 ? 70 LYS A CB 20 ATOM 30025 C CG . LYS A 1 70 ? 4.960 2.260 7.184 1.00 0.00 ? 70 LYS A CG 20 ATOM 30026 C CD . LYS A 1 70 ? 4.759 2.828 8.579 1.00 0.00 ? 70 LYS A CD 20 ATOM 30027 C CE . LYS A 1 70 ? 5.318 1.898 9.645 1.00 0.00 ? 70 LYS A CE 20 ATOM 30028 N NZ . LYS A 1 70 ? 4.676 2.124 10.970 1.00 0.00 ? 70 LYS A NZ 20 ATOM 30029 H H . LYS A 1 70 ? 6.321 3.631 4.470 1.00 0.00 ? 70 LYS A H 20 ATOM 30030 H HA . LYS A 1 70 ? 7.723 1.457 5.349 1.00 0.00 ? 70 LYS A HA 20 ATOM 30031 H HB2 . LYS A 1 70 ? 7.050 2.023 7.464 1.00 0.00 ? 70 LYS A HB2 20 ATOM 30032 H HB3 . LYS A 1 70 ? 6.591 3.493 6.614 1.00 0.00 ? 70 LYS A HB3 20 ATOM 30033 H HG2 . LYS A 1 70 ? 4.300 2.772 6.500 1.00 0.00 ? 70 LYS A HG2 20 ATOM 30034 H HG3 . LYS A 1 70 ? 4.721 1.206 7.197 1.00 0.00 ? 70 LYS A HG3 20 ATOM 30035 H HD2 . LYS A 1 70 ? 5.263 3.780 8.647 1.00 0.00 ? 70 LYS A HD2 20 ATOM 30036 H HD3 . LYS A 1 70 ? 3.701 2.966 8.753 1.00 0.00 ? 70 LYS A HD3 20 ATOM 30037 H HE2 . LYS A 1 70 ? 5.146 0.877 9.341 1.00 0.00 ? 70 LYS A HE2 20 ATOM 30038 H HE3 . LYS A 1 70 ? 6.380 2.073 9.735 1.00 0.00 ? 70 LYS A HE3 20 ATOM 30039 H HZ1 . LYS A 1 70 ? 4.401 1.214 11.393 1.00 0.00 ? 70 LYS A HZ1 20 ATOM 30040 H HZ2 . LYS A 1 70 ? 3.826 2.712 10.859 1.00 0.00 ? 70 LYS A HZ2 20 ATOM 30041 H HZ3 . LYS A 1 70 ? 5.338 2.606 11.611 1.00 0.00 ? 70 LYS A HZ3 20 ATOM 30042 N N . GLN A 1 71 ? 4.601 0.697 4.723 1.00 0.00 ? 71 GLN A N 20 ATOM 30043 C CA . GLN A 1 71 ? 3.673 -0.412 4.530 1.00 0.00 ? 71 GLN A CA 20 ATOM 30044 C C . GLN A 1 71 ? 4.025 -1.204 3.275 1.00 0.00 ? 71 GLN A C 20 ATOM 30045 O O . GLN A 1 71 ? 3.893 -2.428 3.243 1.00 0.00 ? 71 GLN A O 20 ATOM 30046 C CB . GLN A 1 71 ? 2.238 0.107 4.435 1.00 0.00 ? 71 GLN A CB 20 ATOM 30047 C CG . GLN A 1 71 ? 1.578 0.324 5.787 1.00 0.00 ? 71 GLN A CG 20 ATOM 30048 C CD . GLN A 1 71 ? 1.756 -0.858 6.720 1.00 0.00 ? 71 GLN A CD 20 ATOM 30049 O OE1 . GLN A 1 71 ? 2.287 -0.719 7.822 1.00 0.00 ? 71 GLN A OE1 20 ATOM 30050 N NE2 . GLN A 1 71 ? 1.313 -2.031 6.282 1.00 0.00 ? 71 GLN A NE2 20 ATOM 30051 H H . GLN A 1 71 ? 4.321 1.602 4.477 1.00 0.00 ? 71 GLN A H 20 ATOM 30052 H HA . GLN A 1 71 ? 3.754 -1.065 5.387 1.00 0.00 ? 71 GLN A HA 20 ATOM 30053 H HB2 . GLN A 1 71 ? 2.242 1.048 3.905 1.00 0.00 ? 71 GLN A HB2 20 ATOM 30054 H HB3 . GLN A 1 71 ? 1.646 -0.607 3.881 1.00 0.00 ? 71 GLN A HB3 20 ATOM 30055 H HG2 . GLN A 1 71 ? 2.014 1.197 6.250 1.00 0.00 ? 71 GLN A HG2 20 ATOM 30056 H HG3 . GLN A 1 71 ? 0.521 0.488 5.636 1.00 0.00 ? 71 GLN A HG3 20 ATOM 30057 H HE21 . GLN A 1 71 ? 0.902 -2.066 5.392 1.00 0.00 ? 71 GLN A HE21 20 ATOM 30058 H HE22 . GLN A 1 71 ? 1.416 -2.811 6.864 1.00 0.00 ? 71 GLN A HE22 20 ATOM 30059 N N . LEU A 1 72 ? 4.472 -0.498 2.243 1.00 0.00 ? 72 LEU A N 20 ATOM 30060 C CA . LEU A 1 72 ? 4.843 -1.135 0.983 1.00 0.00 ? 72 LEU A CA 20 ATOM 30061 C C . LEU A 1 72 ? 5.921 -2.191 1.204 1.00 0.00 ? 72 LEU A C 20 ATOM 30062 O O . LEU A 1 72 ? 5.845 -3.293 0.660 1.00 0.00 ? 72 LEU A O 20 ATOM 30063 C CB . LEU A 1 72 ? 5.336 -0.086 -0.015 1.00 0.00 ? 72 LEU A CB 20 ATOM 30064 C CG . LEU A 1 72 ? 6.016 -0.626 -1.274 1.00 0.00 ? 72 LEU A CG 20 ATOM 30065 C CD1 . LEU A 1 72 ? 5.144 -1.677 -1.943 1.00 0.00 ? 72 LEU A CD1 20 ATOM 30066 C CD2 . LEU A 1 72 ? 6.324 0.508 -2.241 1.00 0.00 ? 72 LEU A CD2 20 ATOM 30067 H H . LEU A 1 72 ? 4.556 0.475 2.328 1.00 0.00 ? 72 LEU A H 20 ATOM 30068 H HA . LEU A 1 72 ? 3.962 -1.615 0.583 1.00 0.00 ? 72 LEU A HA 20 ATOM 30069 H HB2 . LEU A 1 72 ? 4.486 0.501 -0.325 1.00 0.00 ? 72 LEU A HB2 20 ATOM 30070 H HB3 . LEU A 1 72 ? 6.044 0.550 0.497 1.00 0.00 ? 72 LEU A HB3 20 ATOM 30071 H HG . LEU A 1 72 ? 6.951 -1.095 -0.998 1.00 0.00 ? 72 LEU A HG 20 ATOM 30072 H HD11 . LEU A 1 72 ? 4.158 -1.272 -2.113 1.00 0.00 ? 72 LEU A HD11 20 ATOM 30073 H HD12 . LEU A 1 72 ? 5.071 -2.544 -1.303 1.00 0.00 ? 72 LEU A HD12 20 ATOM 30074 H HD13 . LEU A 1 72 ? 5.585 -1.963 -2.887 1.00 0.00 ? 72 LEU A HD13 20 ATOM 30075 H HD21 . LEU A 1 72 ? 7.393 0.583 -2.379 1.00 0.00 ? 72 LEU A HD21 20 ATOM 30076 H HD22 . LEU A 1 72 ? 5.947 1.437 -1.839 1.00 0.00 ? 72 LEU A HD22 20 ATOM 30077 H HD23 . LEU A 1 72 ? 5.852 0.308 -3.192 1.00 0.00 ? 72 LEU A HD23 20 ATOM 30078 N N . LEU A 1 73 ? 6.923 -1.847 2.006 1.00 0.00 ? 73 LEU A N 20 ATOM 30079 C CA . LEU A 1 73 ? 8.016 -2.766 2.301 1.00 0.00 ? 73 LEU A CA 20 ATOM 30080 C C . LEU A 1 73 ? 7.533 -3.929 3.162 1.00 0.00 ? 73 LEU A C 20 ATOM 30081 O O . LEU A 1 73 ? 8.008 -5.057 3.024 1.00 0.00 ? 73 LEU A O 20 ATOM 30082 C CB . LEU A 1 73 ? 9.152 -2.028 3.011 1.00 0.00 ? 73 LEU A CB 20 ATOM 30083 C CG . LEU A 1 73 ? 9.497 -0.642 2.465 1.00 0.00 ? 73 LEU A CG 20 ATOM 30084 C CD1 . LEU A 1 73 ? 10.692 -0.059 3.203 1.00 0.00 ? 73 LEU A CD1 20 ATOM 30085 C CD2 . LEU A 1 73 ? 9.773 -0.712 0.970 1.00 0.00 ? 73 LEU A CD2 20 ATOM 30086 H H . LEU A 1 73 ? 6.928 -0.955 2.410 1.00 0.00 ? 73 LEU A H 20 ATOM 30087 H HA . LEU A 1 73 ? 8.383 -3.157 1.363 1.00 0.00 ? 73 LEU A HA 20 ATOM 30088 H HB2 . LEU A 1 73 ? 8.875 -1.914 4.048 1.00 0.00 ? 73 LEU A HB2 20 ATOM 30089 H HB3 . LEU A 1 73 ? 10.039 -2.642 2.943 1.00 0.00 ? 73 LEU A HB3 20 ATOM 30090 H HG . LEU A 1 73 ? 8.655 0.019 2.620 1.00 0.00 ? 73 LEU A HG 20 ATOM 30091 H HD11 . LEU A 1 73 ? 10.892 0.935 2.835 1.00 0.00 ? 73 LEU A HD11 20 ATOM 30092 H HD12 . LEU A 1 73 ? 11.557 -0.685 3.038 1.00 0.00 ? 73 LEU A HD12 20 ATOM 30093 H HD13 . LEU A 1 73 ? 10.476 -0.016 4.260 1.00 0.00 ? 73 LEU A HD13 20 ATOM 30094 H HD21 . LEU A 1 73 ? 10.586 -1.399 0.786 1.00 0.00 ? 73 LEU A HD21 20 ATOM 30095 H HD22 . LEU A 1 73 ? 10.043 0.269 0.608 1.00 0.00 ? 73 LEU A HD22 20 ATOM 30096 H HD23 . LEU A 1 73 ? 8.888 -1.055 0.456 1.00 0.00 ? 73 LEU A HD23 20 ATOM 30097 N N . LEU A 1 74 ? 6.586 -3.647 4.050 1.00 0.00 ? 74 LEU A N 20 ATOM 30098 C CA . LEU A 1 74 ? 6.036 -4.669 4.933 1.00 0.00 ? 74 LEU A CA 20 ATOM 30099 C C . LEU A 1 74 ? 5.193 -5.670 4.149 1.00 0.00 ? 74 LEU A C 20 ATOM 30100 O O . LEU A 1 74 ? 5.311 -6.880 4.340 1.00 0.00 ? 74 LEU A O 20 ATOM 30101 C CB . LEU A 1 74 ? 5.190 -4.022 6.031 1.00 0.00 ? 74 LEU A CB 20 ATOM 30102 C CG . LEU A 1 74 ? 5.931 -3.644 7.314 1.00 0.00 ? 74 LEU A CG 20 ATOM 30103 C CD1 . LEU A 1 74 ? 5.046 -2.790 8.209 1.00 0.00 ? 74 LEU A CD1 20 ATOM 30104 C CD2 . LEU A 1 74 ? 6.392 -4.893 8.051 1.00 0.00 ? 74 LEU A CD2 20 ATOM 30105 H H . LEU A 1 74 ? 6.248 -2.730 4.114 1.00 0.00 ? 74 LEU A H 20 ATOM 30106 H HA . LEU A 1 74 ? 6.863 -5.193 5.389 1.00 0.00 ? 74 LEU A HA 20 ATOM 30107 H HB2 . LEU A 1 74 ? 4.753 -3.123 5.624 1.00 0.00 ? 74 LEU A HB2 20 ATOM 30108 H HB3 . LEU A 1 74 ? 4.404 -4.715 6.293 1.00 0.00 ? 74 LEU A HB3 20 ATOM 30109 H HG . LEU A 1 74 ? 6.806 -3.063 7.059 1.00 0.00 ? 74 LEU A HG 20 ATOM 30110 H HD11 . LEU A 1 74 ? 4.114 -3.303 8.389 1.00 0.00 ? 74 LEU A HD11 20 ATOM 30111 H HD12 . LEU A 1 74 ? 4.849 -1.845 7.725 1.00 0.00 ? 74 LEU A HD12 20 ATOM 30112 H HD13 . LEU A 1 74 ? 5.549 -2.614 9.149 1.00 0.00 ? 74 LEU A HD13 20 ATOM 30113 H HD21 . LEU A 1 74 ? 6.930 -5.535 7.369 1.00 0.00 ? 74 LEU A HD21 20 ATOM 30114 H HD22 . LEU A 1 74 ? 5.532 -5.420 8.438 1.00 0.00 ? 74 LEU A HD22 20 ATOM 30115 H HD23 . LEU A 1 74 ? 7.039 -4.610 8.868 1.00 0.00 ? 74 LEU A HD23 20 ATOM 30116 N N . ILE A 1 75 ? 4.344 -5.156 3.265 1.00 0.00 ? 75 ILE A N 20 ATOM 30117 C CA . ILE A 1 75 ? 3.484 -6.004 2.450 1.00 0.00 ? 75 ILE A CA 20 ATOM 30118 C C . ILE A 1 75 ? 4.302 -6.830 1.462 1.00 0.00 ? 75 ILE A C 20 ATOM 30119 O O . ILE A 1 75 ? 3.981 -7.986 1.189 1.00 0.00 ? 75 ILE A O 20 ATOM 30120 C CB . ILE A 1 75 ? 2.447 -5.173 1.671 1.00 0.00 ? 75 ILE A CB 20 ATOM 30121 C CG1 . ILE A 1 75 ? 1.507 -4.453 2.640 1.00 0.00 ? 75 ILE A CG1 20 ATOM 30122 C CG2 . ILE A 1 75 ? 1.659 -6.063 0.722 1.00 0.00 ? 75 ILE A CG2 20 ATOM 30123 C CD1 . ILE A 1 75 ? 0.510 -3.547 1.952 1.00 0.00 ? 75 ILE A CD1 20 ATOM 30124 H H . ILE A 1 75 ? 4.295 -4.183 3.158 1.00 0.00 ? 75 ILE A H 20 ATOM 30125 H HA . ILE A 1 75 ? 2.954 -6.675 3.111 1.00 0.00 ? 75 ILE A HA 20 ATOM 30126 H HB . ILE A 1 75 ? 2.977 -4.440 1.082 1.00 0.00 ? 75 ILE A HB 20 ATOM 30127 H HG12 . ILE A 1 75 ? 0.954 -5.185 3.206 1.00 0.00 ? 75 ILE A HG12 20 ATOM 30128 H HG13 . ILE A 1 75 ? 2.094 -3.848 3.316 1.00 0.00 ? 75 ILE A HG13 20 ATOM 30129 H HG21 . ILE A 1 75 ? 1.839 -5.752 -0.296 1.00 0.00 ? 75 ILE A HG21 20 ATOM 30130 H HG22 . ILE A 1 75 ? 1.974 -7.088 0.846 1.00 0.00 ? 75 ILE A HG22 20 ATOM 30131 H HG23 . ILE A 1 75 ? 0.605 -5.981 0.943 1.00 0.00 ? 75 ILE A HG23 20 ATOM 30132 H HD11 . ILE A 1 75 ? 0.846 -3.337 0.948 1.00 0.00 ? 75 ILE A HD11 20 ATOM 30133 H HD12 . ILE A 1 75 ? -0.454 -4.032 1.917 1.00 0.00 ? 75 ILE A HD12 20 ATOM 30134 H HD13 . ILE A 1 75 ? 0.426 -2.621 2.503 1.00 0.00 ? 75 ILE A HD13 20 ATOM 30135 N N . GLN A 1 76 ? 5.362 -6.228 0.932 1.00 0.00 ? 76 GLN A N 20 ATOM 30136 C CA . GLN A 1 76 ? 6.227 -6.908 -0.024 1.00 0.00 ? 76 GLN A CA 20 ATOM 30137 C C . GLN A 1 76 ? 6.863 -8.146 0.601 1.00 0.00 ? 76 GLN A C 20 ATOM 30138 O O . GLN A 1 76 ? 6.683 -9.260 0.112 1.00 0.00 ? 76 GLN A O 20 ATOM 30139 C CB . GLN A 1 76 ? 7.317 -5.958 -0.524 1.00 0.00 ? 76 GLN A CB 20 ATOM 30140 C CG . GLN A 1 76 ? 6.898 -5.130 -1.728 1.00 0.00 ? 76 GLN A CG 20 ATOM 30141 C CD . GLN A 1 76 ? 8.076 -4.696 -2.577 1.00 0.00 ? 76 GLN A CD 20 ATOM 30142 O OE1 . GLN A 1 76 ? 9.118 -5.353 -2.596 1.00 0.00 ? 76 GLN A OE1 20 ATOM 30143 N NE2 . GLN A 1 76 ? 7.918 -3.584 -3.285 1.00 0.00 ? 76 GLN A NE2 20 ATOM 30144 H H . GLN A 1 76 ? 5.566 -5.305 1.189 1.00 0.00 ? 76 GLN A H 20 ATOM 30145 H HA . GLN A 1 76 ? 5.619 -7.215 -0.861 1.00 0.00 ? 76 GLN A HA 20 ATOM 30146 H HB2 . GLN A 1 76 ? 7.583 -5.282 0.276 1.00 0.00 ? 76 GLN A HB2 20 ATOM 30147 H HB3 . GLN A 1 76 ? 8.186 -6.538 -0.798 1.00 0.00 ? 76 GLN A HB3 20 ATOM 30148 H HG2 . GLN A 1 76 ? 6.232 -5.720 -2.340 1.00 0.00 ? 76 GLN A HG2 20 ATOM 30149 H HG3 . GLN A 1 76 ? 6.379 -4.249 -1.379 1.00 0.00 ? 76 GLN A HG3 20 ATOM 30150 H HE21 . GLN A 1 76 ? 7.061 -3.112 -3.219 1.00 0.00 ? 76 GLN A HE21 20 ATOM 30151 H HE22 . GLN A 1 76 ? 8.664 -3.280 -3.841 1.00 0.00 ? 76 GLN A HE22 20 ATOM 30152 N N . GLU A 1 77 ? 7.605 -7.940 1.684 1.00 0.00 ? 77 GLU A N 20 ATOM 30153 C CA . GLU A 1 77 ? 8.268 -9.040 2.375 1.00 0.00 ? 77 GLU A CA 20 ATOM 30154 C C . GLU A 1 77 ? 7.256 -10.095 2.815 1.00 0.00 ? 77 GLU A C 20 ATOM 30155 O O . GLU A 1 77 ? 7.547 -11.291 2.805 1.00 0.00 ? 77 GLU A O 20 ATOM 30156 C CB . GLU A 1 77 ? 9.038 -8.519 3.590 1.00 0.00 ? 77 GLU A CB 20 ATOM 30157 C CG . GLU A 1 77 ? 8.201 -7.652 4.515 1.00 0.00 ? 77 GLU A CG 20 ATOM 30158 C CD . GLU A 1 77 ? 7.449 -8.463 5.553 1.00 0.00 ? 77 GLU A CD 20 ATOM 30159 O OE1 . GLU A 1 77 ? 7.399 -9.703 5.413 1.00 0.00 ? 77 GLU A OE1 20 ATOM 30160 O OE2 . GLU A 1 77 ? 6.910 -7.858 6.503 1.00 0.00 ? 77 GLU A OE2 20 ATOM 30161 H H . GLU A 1 77 ? 7.710 -7.028 2.027 1.00 0.00 ? 77 GLU A H 20 ATOM 30162 H HA . GLU A 1 77 ? 8.965 -9.493 1.686 1.00 0.00 ? 77 GLU A HA 20 ATOM 30163 H HB2 . GLU A 1 77 ? 9.408 -9.362 4.156 1.00 0.00 ? 77 GLU A HB2 20 ATOM 30164 H HB3 . GLU A 1 77 ? 9.877 -7.934 3.244 1.00 0.00 ? 77 GLU A HB3 20 ATOM 30165 H HG2 . GLU A 1 77 ? 8.853 -6.959 5.026 1.00 0.00 ? 77 GLU A HG2 20 ATOM 30166 H HG3 . GLU A 1 77 ? 7.486 -7.101 3.922 1.00 0.00 ? 77 GLU A HG3 20 ATOM 30167 N N . ARG A 1 78 ? 6.068 -9.642 3.200 1.00 0.00 ? 78 ARG A N 20 ATOM 30168 C CA . ARG A 1 78 ? 5.013 -10.545 3.645 1.00 0.00 ? 78 ARG A CA 20 ATOM 30169 C C . ARG A 1 78 ? 4.547 -11.442 2.502 1.00 0.00 ? 78 ARG A C 20 ATOM 30170 O O . ARG A 1 78 ? 4.119 -12.574 2.724 1.00 0.00 ? 78 ARG A O 20 ATOM 30171 C CB . ARG A 1 78 ? 3.830 -9.749 4.198 1.00 0.00 ? 78 ARG A CB 20 ATOM 30172 C CG . ARG A 1 78 ? 4.070 -9.187 5.590 1.00 0.00 ? 78 ARG A CG 20 ATOM 30173 C CD . ARG A 1 78 ? 4.063 -10.285 6.642 1.00 0.00 ? 78 ARG A CD 20 ATOM 30174 N NE . ARG A 1 78 ? 2.720 -10.810 6.876 1.00 0.00 ? 78 ARG A NE 20 ATOM 30175 C CZ . ARG A 1 78 ? 1.815 -10.200 7.634 1.00 0.00 ? 78 ARG A CZ 20 ATOM 30176 N NH1 . ARG A 1 78 ? 2.107 -9.051 8.227 1.00 0.00 ? 78 ARG A NH1 20 ATOM 30177 N NH2 . ARG A 1 78 ? 0.614 -10.740 7.799 1.00 0.00 ? 78 ARG A NH2 20 ATOM 30178 H H . ARG A 1 78 ? 5.896 -8.677 3.186 1.00 0.00 ? 78 ARG A H 20 ATOM 30179 H HA . ARG A 1 78 ? 5.417 -11.165 4.432 1.00 0.00 ? 78 ARG A HA 20 ATOM 30180 H HB2 . ARG A 1 78 ? 3.624 -8.923 3.532 1.00 0.00 ? 78 ARG A HB2 20 ATOM 30181 H HB3 . ARG A 1 78 ? 2.965 -10.393 4.238 1.00 0.00 ? 78 ARG A HB3 20 ATOM 30182 H HG2 . ARG A 1 78 ? 5.031 -8.694 5.608 1.00 0.00 ? 78 ARG A HG2 20 ATOM 30183 H HG3 . ARG A 1 78 ? 3.292 -8.475 5.820 1.00 0.00 ? 78 ARG A HG3 20 ATOM 30184 H HD2 . ARG A 1 78 ? 4.699 -11.091 6.307 1.00 0.00 ? 78 ARG A HD2 20 ATOM 30185 H HD3 . ARG A 1 78 ? 4.448 -9.882 7.566 1.00 0.00 ? 78 ARG A HD3 20 ATOM 30186 H HE . ARG A 1 78 ? 2.483 -11.658 6.448 1.00 0.00 ? 78 ARG A HE 20 ATOM 30187 H HH11 . ARG A 1 78 ? 3.011 -8.641 8.103 1.00 0.00 ? 78 ARG A HH11 20 ATOM 30188 H HH12 . ARG A 1 78 ? 1.424 -8.593 8.796 1.00 0.00 ? 78 ARG A HH12 20 ATOM 30189 H HH21 . ARG A 1 78 ? 0.390 -11.606 7.354 1.00 0.00 ? 78 ARG A HH21 20 ATOM 30190 H HH22 . ARG A 1 78 ? -0.066 -10.281 8.370 1.00 0.00 ? 78 ARG A HH22 20 ATOM 30191 N N . TRP A 1 79 ? 4.634 -10.927 1.281 1.00 0.00 ? 79 TRP A N 20 ATOM 30192 C CA . TRP A 1 79 ? 4.220 -11.681 0.103 1.00 0.00 ? 79 TRP A CA 20 ATOM 30193 C C . TRP A 1 79 ? 5.255 -12.743 -0.255 1.00 0.00 ? 79 TRP A C 20 ATOM 30194 O O . TRP A 1 79 ? 4.967 -13.940 -0.224 1.00 0.00 ? 79 TRP A O 20 ATOM 30195 C CB . TRP A 1 79 ? 4.008 -10.739 -1.083 1.00 0.00 ? 79 TRP A CB 20 ATOM 30196 C CG . TRP A 1 79 ? 3.257 -11.370 -2.216 1.00 0.00 ? 79 TRP A CG 20 ATOM 30197 C CD1 . TRP A 1 79 ? 2.472 -12.486 -2.158 1.00 0.00 ? 79 TRP A CD1 20 ATOM 30198 C CD2 . TRP A 1 79 ? 3.221 -10.922 -3.575 1.00 0.00 ? 79 TRP A CD2 20 ATOM 30199 N NE1 . TRP A 1 79 ? 1.951 -12.759 -3.400 1.00 0.00 ? 79 TRP A NE1 20 ATOM 30200 C CE2 . TRP A 1 79 ? 2.394 -11.814 -4.286 1.00 0.00 ? 79 TRP A CE2 20 ATOM 30201 C CE3 . TRP A 1 79 ? 3.805 -9.853 -4.261 1.00 0.00 ? 79 TRP A CE3 20 ATOM 30202 C CZ2 . TRP A 1 79 ? 2.140 -11.668 -5.648 1.00 0.00 ? 79 TRP A CZ2 20 ATOM 30203 C CZ3 . TRP A 1 79 ? 3.552 -9.710 -5.612 1.00 0.00 ? 79 TRP A CZ3 20 ATOM 30204 C CH2 . TRP A 1 79 ? 2.725 -10.613 -6.293 1.00 0.00 ? 79 TRP A CH2 20 ATOM 30205 H H . TRP A 1 79 ? 4.984 -10.018 1.168 1.00 0.00 ? 79 TRP A H 20 ATOM 30206 H HA . TRP A 1 79 ? 3.285 -12.170 0.335 1.00 0.00 ? 79 TRP A HA 20 ATOM 30207 H HB2 . TRP A 1 79 ? 3.450 -9.875 -0.753 1.00 0.00 ? 79 TRP A HB2 20 ATOM 30208 H HB3 . TRP A 1 79 ? 4.970 -10.420 -1.457 1.00 0.00 ? 79 TRP A HB3 20 ATOM 30209 H HD1 . TRP A 1 79 ? 2.297 -13.061 -1.262 1.00 0.00 ? 79 TRP A HD1 20 ATOM 30210 H HE1 . TRP A 1 79 ? 1.356 -13.508 -3.615 1.00 0.00 ? 79 TRP A HE1 20 ATOM 30211 H HE3 . TRP A 1 79 ? 4.445 -9.147 -3.753 1.00 0.00 ? 79 TRP A HE3 20 ATOM 30212 H HZ2 . TRP A 1 79 ? 1.505 -12.355 -6.187 1.00 0.00 ? 79 TRP A HZ2 20 ATOM 30213 H HZ3 . TRP A 1 79 ? 3.995 -8.891 -6.158 1.00 0.00 ? 79 TRP A HZ3 20 ATOM 30214 H HH2 . TRP A 1 79 ? 2.556 -10.463 -7.348 1.00 0.00 ? 79 TRP A HH2 20 ATOM 30215 N N . LYS A 1 80 ? 6.460 -12.298 -0.593 1.00 0.00 ? 80 LYS A N 20 ATOM 30216 C CA . LYS A 1 80 ? 7.539 -13.210 -0.955 1.00 0.00 ? 80 LYS A CA 20 ATOM 30217 C C . LYS A 1 80 ? 7.580 -14.407 -0.010 1.00 0.00 ? 80 LYS A C 20 ATOM 30218 O O . LYS A 1 80 ? 7.741 -15.547 -0.445 1.00 0.00 ? 80 LYS A O 20 ATOM 30219 C CB . LYS A 1 80 ? 8.883 -12.479 -0.927 1.00 0.00 ? 80 LYS A CB 20 ATOM 30220 C CG . LYS A 1 80 ? 9.258 -11.947 0.445 1.00 0.00 ? 80 LYS A CG 20 ATOM 30221 C CD . LYS A 1 80 ? 10.562 -11.168 0.404 1.00 0.00 ? 80 LYS A CD 20 ATOM 30222 C CE . LYS A 1 80 ? 11.248 -11.156 1.761 1.00 0.00 ? 80 LYS A CE 20 ATOM 30223 N NZ . LYS A 1 80 ? 12.536 -10.411 1.726 1.00 0.00 ? 80 LYS A NZ 20 ATOM 30224 H H . LYS A 1 80 ? 6.629 -11.332 -0.599 1.00 0.00 ? 80 LYS A H 20 ATOM 30225 H HA . LYS A 1 80 ? 7.352 -13.564 -1.958 1.00 0.00 ? 80 LYS A HA 20 ATOM 30226 H HB2 . LYS A 1 80 ? 9.656 -13.160 -1.251 1.00 0.00 ? 80 LYS A HB2 20 ATOM 30227 H HB3 . LYS A 1 80 ? 8.840 -11.645 -1.614 1.00 0.00 ? 80 LYS A HB3 20 ATOM 30228 H HG2 . LYS A 1 80 ? 8.472 -11.295 0.796 1.00 0.00 ? 80 LYS A HG2 20 ATOM 30229 H HG3 . LYS A 1 80 ? 9.368 -12.780 1.125 1.00 0.00 ? 80 LYS A HG3 20 ATOM 30230 H HD2 . LYS A 1 80 ? 11.223 -11.626 -0.317 1.00 0.00 ? 80 LYS A HD2 20 ATOM 30231 H HD3 . LYS A 1 80 ? 10.353 -10.150 0.107 1.00 0.00 ? 80 LYS A HD3 20 ATOM 30232 H HE2 . LYS A 1 80 ? 10.591 -10.687 2.478 1.00 0.00 ? 80 LYS A HE2 20 ATOM 30233 H HE3 . LYS A 1 80 ? 11.439 -12.176 2.062 1.00 0.00 ? 80 LYS A HE3 20 ATOM 30234 H HZ1 . LYS A 1 80 ? 12.368 -9.398 1.893 1.00 0.00 ? 80 LYS A HZ1 20 ATOM 30235 H HZ2 . LYS A 1 80 ? 12.990 -10.527 0.797 1.00 0.00 ? 80 LYS A HZ2 20 ATOM 30236 H HZ3 . LYS A 1 80 ? 13.178 -10.771 2.460 1.00 0.00 ? 80 LYS A HZ3 20 ATOM 30237 N N . ARG A 1 81 ? 7.431 -14.139 1.283 1.00 0.00 ? 81 ARG A N 20 ATOM 30238 C CA . ARG A 1 81 ? 7.451 -15.195 2.288 1.00 0.00 ? 81 ARG A CA 20 ATOM 30239 C C . ARG A 1 81 ? 6.390 -16.250 1.990 1.00 0.00 ? 81 ARG A C 20 ATOM 30240 O O . ARG A 1 81 ? 6.693 -17.438 1.887 1.00 0.00 ? 81 ARG A O 20 ATOM 30241 C CB . ARG A 1 81 ? 7.222 -14.606 3.682 1.00 0.00 ? 81 ARG A CB 20 ATOM 30242 C CG . ARG A 1 81 ? 8.506 -14.227 4.401 1.00 0.00 ? 81 ARG A CG 20 ATOM 30243 C CD . ARG A 1 81 ? 9.059 -15.395 5.204 1.00 0.00 ? 81 ARG A CD 20 ATOM 30244 N NE . ARG A 1 81 ? 9.971 -14.952 6.256 1.00 0.00 ? 81 ARG A NE 20 ATOM 30245 C CZ . ARG A 1 81 ? 10.308 -15.702 7.300 1.00 0.00 ? 81 ARG A CZ 20 ATOM 30246 N NH1 . ARG A 1 81 ? 9.811 -16.924 7.430 1.00 0.00 ? 81 ARG A NH1 20 ATOM 30247 N NH2 . ARG A 1 81 ? 11.143 -15.229 8.216 1.00 0.00 ? 81 ARG A NH2 20 ATOM 30248 H H . ARG A 1 81 ? 7.306 -13.210 1.568 1.00 0.00 ? 81 ARG A H 20 ATOM 30249 H HA . ARG A 1 81 ? 8.424 -15.662 2.260 1.00 0.00 ? 81 ARG A HA 20 ATOM 30250 H HB2 . ARG A 1 81 ? 6.613 -13.719 3.589 1.00 0.00 ? 81 ARG A HB2 20 ATOM 30251 H HB3 . ARG A 1 81 ? 6.697 -15.332 4.284 1.00 0.00 ? 81 ARG A HB3 20 ATOM 30252 H HG2 . ARG A 1 81 ? 9.242 -13.927 3.671 1.00 0.00 ? 81 ARG A HG2 20 ATOM 30253 H HG3 . ARG A 1 81 ? 8.303 -13.405 5.071 1.00 0.00 ? 81 ARG A HG3 20 ATOM 30254 H HD2 . ARG A 1 81 ? 8.235 -15.926 5.655 1.00 0.00 ? 81 ARG A HD2 20 ATOM 30255 H HD3 . ARG A 1 81 ? 9.590 -16.055 4.535 1.00 0.00 ? 81 ARG A HD3 20 ATOM 30256 H HE . ARG A 1 81 ? 10.349 -14.052 6.180 1.00 0.00 ? 81 ARG A HE 20 ATOM 30257 H HH11 . ARG A 1 81 ? 9.182 -17.284 6.741 1.00 0.00 ? 81 ARG A HH11 20 ATOM 30258 H HH12 . ARG A 1 81 ? 10.068 -17.487 8.216 1.00 0.00 ? 81 ARG A HH12 20 ATOM 30259 H HH21 . ARG A 1 81 ? 11.520 -14.308 8.121 1.00 0.00 ? 81 ARG A HH21 20 ATOM 30260 H HH22 . ARG A 1 81 ? 11.396 -15.794 9.000 1.00 0.00 ? 81 ARG A HH22 20 ATOM 30261 N N . ALA A 1 82 ? 5.144 -15.807 1.853 1.00 0.00 ? 82 ALA A N 20 ATOM 30262 C CA . ALA A 1 82 ? 4.039 -16.712 1.565 1.00 0.00 ? 82 ALA A CA 20 ATOM 30263 C C . ALA A 1 82 ? 4.370 -17.628 0.392 1.00 0.00 ? 82 ALA A C 20 ATOM 30264 O O . ALA A 1 82 ? 4.136 -18.835 0.447 1.00 0.00 ? 82 ALA A O 20 ATOM 30265 C CB . ALA A 1 82 ? 2.770 -15.922 1.278 1.00 0.00 ? 82 ALA A CB 20 ATOM 30266 H H . ALA A 1 82 ? 4.965 -14.848 1.946 1.00 0.00 ? 82 ALA A H 20 ATOM 30267 H HA . ALA A 1 82 ? 3.866 -17.317 2.443 1.00 0.00 ? 82 ALA A HA 20 ATOM 30268 H HB1 . ALA A 1 82 ? 2.242 -16.378 0.454 1.00 0.00 ? 82 ALA A HB1 20 ATOM 30269 H HB2 . ALA A 1 82 ? 2.140 -15.923 2.155 1.00 0.00 ? 82 ALA A HB2 20 ATOM 30270 H HB3 . ALA A 1 82 ? 3.030 -14.906 1.022 1.00 0.00 ? 82 ALA A HB3 20 ATOM 30271 N N . LYS A 1 83 ? 4.916 -17.046 -0.671 1.00 0.00 ? 83 LYS A N 20 ATOM 30272 C CA . LYS A 1 83 ? 5.281 -17.809 -1.859 1.00 0.00 ? 83 LYS A CA 20 ATOM 30273 C C . LYS A 1 83 ? 5.765 -19.206 -1.481 1.00 0.00 ? 83 LYS A C 20 ATOM 30274 O O . LYS A 1 83 ? 5.403 -20.193 -2.122 1.00 0.00 ? 83 LYS A O 20 ATOM 30275 C CB . LYS A 1 83 ? 6.370 -17.077 -2.646 1.00 0.00 ? 83 LYS A CB 20 ATOM 30276 C CG . LYS A 1 83 ? 5.964 -15.683 -3.093 1.00 0.00 ? 83 LYS A CG 20 ATOM 30277 C CD . LYS A 1 83 ? 4.963 -15.733 -4.235 1.00 0.00 ? 83 LYS A CD 20 ATOM 30278 C CE . LYS A 1 83 ? 5.046 -14.487 -5.103 1.00 0.00 ? 83 LYS A CE 20 ATOM 30279 N NZ . LYS A 1 83 ? 4.279 -14.642 -6.370 1.00 0.00 ? 83 LYS A NZ 20 ATOM 30280 H H . LYS A 1 83 ? 5.079 -16.079 -0.655 1.00 0.00 ? 83 LYS A H 20 ATOM 30281 H HA . LYS A 1 83 ? 4.401 -17.901 -2.477 1.00 0.00 ? 83 LYS A HA 20 ATOM 30282 H HB2 . LYS A 1 83 ? 7.250 -16.991 -2.026 1.00 0.00 ? 83 LYS A HB2 20 ATOM 30283 H HB3 . LYS A 1 83 ? 6.614 -17.657 -3.525 1.00 0.00 ? 83 LYS A HB3 20 ATOM 30284 H HG2 . LYS A 1 83 ? 5.517 -15.163 -2.259 1.00 0.00 ? 83 LYS A HG2 20 ATOM 30285 H HG3 . LYS A 1 83 ? 6.845 -15.149 -3.421 1.00 0.00 ? 83 LYS A HG3 20 ATOM 30286 H HD2 . LYS A 1 83 ? 5.171 -16.598 -4.847 1.00 0.00 ? 83 LYS A HD2 20 ATOM 30287 H HD3 . LYS A 1 83 ? 3.966 -15.810 -3.825 1.00 0.00 ? 83 LYS A HD3 20 ATOM 30288 H HE2 . LYS A 1 83 ? 4.645 -13.651 -4.550 1.00 0.00 ? 83 LYS A HE2 20 ATOM 30289 H HE3 . LYS A 1 83 ? 6.082 -14.298 -5.340 1.00 0.00 ? 83 LYS A HE3 20 ATOM 30290 H HZ1 . LYS A 1 83 ? 3.791 -15.561 -6.382 1.00 0.00 ? 83 LYS A HZ1 20 ATOM 30291 H HZ2 . LYS A 1 83 ? 4.922 -14.593 -7.186 1.00 0.00 ? 83 LYS A HZ2 20 ATOM 30292 H HZ3 . LYS A 1 83 ? 3.571 -13.885 -6.455 1.00 0.00 ? 83 LYS A HZ3 20 ATOM 30293 N N . ARG A 1 84 ? 6.582 -19.281 -0.436 1.00 0.00 ? 84 ARG A N 20 ATOM 30294 C CA . ARG A 1 84 ? 7.114 -20.557 0.027 1.00 0.00 ? 84 ARG A CA 20 ATOM 30295 C C . ARG A 1 84 ? 6.201 -21.177 1.081 1.00 0.00 ? 84 ARG A C 20 ATOM 30296 O O . ARG A 1 84 ? 5.923 -22.375 1.047 1.00 0.00 ? 84 ARG A O 20 ATOM 30297 C CB . ARG A 1 84 ? 8.520 -20.370 0.601 1.00 0.00 ? 84 ARG A CB 20 ATOM 30298 C CG . ARG A 1 84 ? 8.641 -19.179 1.538 1.00 0.00 ? 84 ARG A CG 20 ATOM 30299 C CD . ARG A 1 84 ? 10.003 -19.138 2.214 1.00 0.00 ? 84 ARG A CD 20 ATOM 30300 N NE . ARG A 1 84 ? 10.397 -17.778 2.570 1.00 0.00 ? 84 ARG A NE 20 ATOM 30301 C CZ . ARG A 1 84 ? 11.627 -17.443 2.943 1.00 0.00 ? 84 ARG A CZ 20 ATOM 30302 N NH1 . ARG A 1 84 ? 12.578 -18.365 3.007 1.00 0.00 ? 84 ARG A NH1 20 ATOM 30303 N NH2 . ARG A 1 84 ? 11.908 -16.183 3.251 1.00 0.00 ? 84 ARG A NH2 20 ATOM 30304 H H . ARG A 1 84 ? 6.834 -18.460 0.035 1.00 0.00 ? 84 ARG A H 20 ATOM 30305 H HA . ARG A 1 84 ? 7.168 -21.222 -0.822 1.00 0.00 ? 84 ARG A HA 20 ATOM 30306 H HB2 . ARG A 1 84 ? 8.794 -21.259 1.149 1.00 0.00 ? 84 ARG A HB2 20 ATOM 30307 H HB3 . ARG A 1 84 ? 9.213 -20.231 -0.214 1.00 0.00 ? 84 ARG A HB3 20 ATOM 30308 H HG2 . ARG A 1 84 ? 8.507 -18.270 0.969 1.00 0.00 ? 84 ARG A HG2 20 ATOM 30309 H HG3 . ARG A 1 84 ? 7.874 -19.249 2.295 1.00 0.00 ? 84 ARG A HG3 20 ATOM 30310 H HD2 . ARG A 1 84 ? 9.962 -19.737 3.112 1.00 0.00 ? 84 ARG A HD2 20 ATOM 30311 H HD3 . ARG A 1 84 ? 10.737 -19.551 1.539 1.00 0.00 ? 84 ARG A HD3 20 ATOM 30312 H HE . ARG A 1 84 ? 9.710 -17.081 2.529 1.00 0.00 ? 84 ARG A HE 20 ATOM 30313 H HH11 . ARG A 1 84 ? 12.369 -19.314 2.774 1.00 0.00 ? 84 ARG A HH11 20 ATOM 30314 H HH12 . ARG A 1 84 ? 13.504 -18.110 3.287 1.00 0.00 ? 84 ARG A HH12 20 ATOM 30315 H HH21 . ARG A 1 84 ? 11.194 -15.486 3.204 1.00 0.00 ? 84 ARG A HH21 20 ATOM 30316 H HH22 . ARG A 1 84 ? 12.834 -15.932 3.532 1.00 0.00 ? 84 ARG A HH22 20 ATOM 30317 N N . GLU A 1 85 ? 5.740 -20.352 2.016 1.00 0.00 ? 85 GLU A N 20 ATOM 30318 C CA . GLU A 1 85 ? 4.859 -20.821 3.080 1.00 0.00 ? 85 GLU A CA 20 ATOM 30319 C C . GLU A 1 85 ? 3.564 -21.387 2.504 1.00 0.00 ? 85 GLU A C 20 ATOM 30320 O O . GLU A 1 85 ? 3.310 -22.588 2.587 1.00 0.00 ? 85 GLU A O 20 ATOM 30321 C CB . GLU A 1 85 ? 4.544 -19.680 4.050 1.00 0.00 ? 85 GLU A CB 20 ATOM 30322 C CG . GLU A 1 85 ? 5.776 -18.933 4.532 1.00 0.00 ? 85 GLU A CG 20 ATOM 30323 C CD . GLU A 1 85 ? 5.605 -18.366 5.928 1.00 0.00 ? 85 GLU A CD 20 ATOM 30324 O OE1 . GLU A 1 85 ? 4.540 -17.772 6.200 1.00 0.00 ? 85 GLU A OE1 20 ATOM 30325 O OE2 . GLU A 1 85 ? 6.535 -18.514 6.747 1.00 0.00 ? 85 GLU A OE2 20 ATOM 30326 H H . GLU A 1 85 ? 5.997 -19.407 1.989 1.00 0.00 ? 85 GLU A H 20 ATOM 30327 H HA . GLU A 1 85 ? 5.374 -21.604 3.615 1.00 0.00 ? 85 GLU A HA 20 ATOM 30328 H HB2 . GLU A 1 85 ? 3.890 -18.975 3.558 1.00 0.00 ? 85 GLU A HB2 20 ATOM 30329 H HB3 . GLU A 1 85 ? 4.036 -20.088 4.911 1.00 0.00 ? 85 GLU A HB3 20 ATOM 30330 H HG2 . GLU A 1 85 ? 6.615 -19.613 4.537 1.00 0.00 ? 85 GLU A HG2 20 ATOM 30331 H HG3 . GLU A 1 85 ? 5.977 -18.119 3.851 1.00 0.00 ? 85 GLU A HG3 20 ATOM 30332 N N . GLU A 1 86 ? 2.750 -20.512 1.923 1.00 0.00 ? 86 GLU A N 20 ATOM 30333 C CA . GLU A 1 86 ? 1.481 -20.925 1.335 1.00 0.00 ? 86 GLU A CA 20 ATOM 30334 C C . GLU A 1 86 ? 1.622 -22.266 0.621 1.00 0.00 ? 86 GLU A C 20 ATOM 30335 O O . GLU A 1 86 ? 0.910 -23.222 0.927 1.00 0.00 ? 86 GLU A O 20 ATOM 30336 C CB . GLU A 1 86 ? 0.977 -19.863 0.355 1.00 0.00 ? 86 GLU A CB 20 ATOM 30337 C CG . GLU A 1 86 ? -0.478 -20.043 -0.044 1.00 0.00 ? 86 GLU A CG 20 ATOM 30338 C CD . GLU A 1 86 ? -0.642 -20.921 -1.269 1.00 0.00 ? 86 GLU A CD 20 ATOM 30339 O OE1 . GLU A 1 86 ? 0.334 -21.064 -2.033 1.00 0.00 ? 86 GLU A OE1 20 ATOM 30340 O OE2 . GLU A 1 86 ? -1.750 -21.466 -1.462 1.00 0.00 ? 86 GLU A OE2 20 ATOM 30341 H H . GLU A 1 86 ? 3.008 -19.568 1.888 1.00 0.00 ? 86 GLU A H 20 ATOM 30342 H HA . GLU A 1 86 ? 0.764 -21.031 2.135 1.00 0.00 ? 86 GLU A HA 20 ATOM 30343 H HB2 . GLU A 1 86 ? 1.087 -18.889 0.810 1.00 0.00 ? 86 GLU A HB2 20 ATOM 30344 H HB3 . GLU A 1 86 ? 1.581 -19.902 -0.540 1.00 0.00 ? 86 GLU A HB3 20 ATOM 30345 H HG2 . GLU A 1 86 ? -1.010 -20.496 0.779 1.00 0.00 ? 86 GLU A HG2 20 ATOM 30346 H HG3 . GLU A 1 86 ? -0.903 -19.073 -0.254 1.00 0.00 ? 86 GLU A HG3 20 ATOM 30347 N N . ARG A 1 87 ? 2.546 -22.327 -0.332 1.00 0.00 ? 87 ARG A N 20 ATOM 30348 C CA . ARG A 1 87 ? 2.781 -23.549 -1.092 1.00 0.00 ? 87 ARG A CA 20 ATOM 30349 C C . ARG A 1 87 ? 3.064 -24.723 -0.159 1.00 0.00 ? 87 ARG A C 20 ATOM 30350 O O . ARG A 1 87 ? 2.487 -25.801 -0.306 1.00 0.00 ? 87 ARG A O 20 ATOM 30351 C CB . ARG A 1 87 ? 3.951 -23.358 -2.058 1.00 0.00 ? 87 ARG A CB 20 ATOM 30352 C CG . ARG A 1 87 ? 3.541 -22.784 -3.405 1.00 0.00 ? 87 ARG A CG 20 ATOM 30353 C CD . ARG A 1 87 ? 2.790 -23.808 -4.242 1.00 0.00 ? 87 ARG A CD 20 ATOM 30354 N NE . ARG A 1 87 ? 3.671 -24.862 -4.737 1.00 0.00 ? 87 ARG A NE 20 ATOM 30355 C CZ . ARG A 1 87 ? 4.467 -24.719 -5.792 1.00 0.00 ? 87 ARG A CZ 20 ATOM 30356 N NH1 . ARG A 1 87 ? 4.492 -23.572 -6.457 1.00 0.00 ? 87 ARG A NH1 20 ATOM 30357 N NH2 . ARG A 1 87 ? 5.240 -25.724 -6.182 1.00 0.00 ? 87 ARG A NH2 20 ATOM 30358 H H . ARG A 1 87 ? 3.083 -21.531 -0.530 1.00 0.00 ? 87 ARG A H 20 ATOM 30359 H HA . ARG A 1 87 ? 1.888 -23.764 -1.659 1.00 0.00 ? 87 ARG A HA 20 ATOM 30360 H HB2 . ARG A 1 87 ? 4.668 -22.687 -1.609 1.00 0.00 ? 87 ARG A HB2 20 ATOM 30361 H HB3 . ARG A 1 87 ? 4.422 -24.314 -2.228 1.00 0.00 ? 87 ARG A HB3 20 ATOM 30362 H HG2 . ARG A 1 87 ? 2.900 -21.930 -3.242 1.00 0.00 ? 87 ARG A HG2 20 ATOM 30363 H HG3 . ARG A 1 87 ? 4.427 -22.476 -3.939 1.00 0.00 ? 87 ARG A HG3 20 ATOM 30364 H HD2 . ARG A 1 87 ? 2.018 -24.255 -3.633 1.00 0.00 ? 87 ARG A HD2 20 ATOM 30365 H HD3 . ARG A 1 87 ? 2.338 -23.304 -5.083 1.00 0.00 ? 87 ARG A HD3 20 ATOM 30366 H HE . ARG A 1 87 ? 3.669 -25.718 -4.261 1.00 0.00 ? 87 ARG A HE 20 ATOM 30367 H HH11 . ARG A 1 87 ? 3.911 -22.813 -6.165 1.00 0.00 ? 87 ARG A HH11 20 ATOM 30368 H HH12 . ARG A 1 87 ? 5.093 -23.467 -7.250 1.00 0.00 ? 87 ARG A HH12 20 ATOM 30369 H HH21 . ARG A 1 87 ? 5.225 -26.590 -5.682 1.00 0.00 ? 87 ARG A HH21 20 ATOM 30370 H HH22 . ARG A 1 87 ? 5.839 -25.616 -6.975 1.00 0.00 ? 87 ARG A HH22 20 ATOM 30371 N N . LEU A 1 88 ? 3.957 -24.507 0.801 1.00 0.00 ? 88 LEU A N 20 ATOM 30372 C CA . LEU A 1 88 ? 4.318 -25.547 1.758 1.00 0.00 ? 88 LEU A CA 20 ATOM 30373 C C . LEU A 1 88 ? 3.083 -26.073 2.483 1.00 0.00 ? 88 LEU A C 20 ATOM 30374 O O . LEU A 1 88 ? 2.842 -27.279 2.526 1.00 0.00 ? 88 LEU A O 20 ATOM 30375 C CB . LEU A 1 88 ? 5.327 -25.005 2.773 1.00 0.00 ? 88 LEU A CB 20 ATOM 30376 C CG . LEU A 1 88 ? 6.781 -24.939 2.304 1.00 0.00 ? 88 LEU A CG 20 ATOM 30377 C CD1 . LEU A 1 88 ? 7.595 -24.035 3.216 1.00 0.00 ? 88 LEU A CD1 20 ATOM 30378 C CD2 . LEU A 1 88 ? 7.388 -26.333 2.252 1.00 0.00 ? 88 LEU A CD2 20 ATOM 30379 H H . LEU A 1 88 ? 4.384 -23.628 0.868 1.00 0.00 ? 88 LEU A H 20 ATOM 30380 H HA . LEU A 1 88 ? 4.772 -26.359 1.210 1.00 0.00 ? 88 LEU A HA 20 ATOM 30381 H HB2 . LEU A 1 88 ? 5.021 -24.006 3.042 1.00 0.00 ? 88 LEU A HB2 20 ATOM 30382 H HB3 . LEU A 1 88 ? 5.288 -25.640 3.647 1.00 0.00 ? 88 LEU A HB3 20 ATOM 30383 H HG . LEU A 1 88 ? 6.813 -24.522 1.307 1.00 0.00 ? 88 LEU A HG 20 ATOM 30384 H HD11 . LEU A 1 88 ? 8.640 -24.292 3.138 1.00 0.00 ? 88 LEU A HD11 20 ATOM 30385 H HD12 . LEU A 1 88 ? 7.267 -24.164 4.237 1.00 0.00 ? 88 LEU A HD12 20 ATOM 30386 H HD13 . LEU A 1 88 ? 7.454 -23.005 2.921 1.00 0.00 ? 88 LEU A HD13 20 ATOM 30387 H HD21 . LEU A 1 88 ? 8.291 -26.310 1.660 1.00 0.00 ? 88 LEU A HD21 20 ATOM 30388 H HD22 . LEU A 1 88 ? 6.682 -27.018 1.805 1.00 0.00 ? 88 LEU A HD22 20 ATOM 30389 H HD23 . LEU A 1 88 ? 7.623 -26.661 3.254 1.00 0.00 ? 88 LEU A HD23 20 ATOM 30390 N N . LYS A 1 89 ? 2.302 -25.159 3.049 1.00 0.00 ? 89 LYS A N 20 ATOM 30391 C CA . LYS A 1 89 ? 1.090 -25.529 3.769 1.00 0.00 ? 89 LYS A CA 20 ATOM 30392 C C . LYS A 1 89 ? 0.027 -26.055 2.810 1.00 0.00 ? 89 LYS A C 20 ATOM 30393 O O . LYS A 1 89 ? -0.953 -26.670 3.231 1.00 0.00 ? 89 LYS A O 20 ATOM 30394 C CB . LYS A 1 89 ? 0.544 -24.327 4.542 1.00 0.00 ? 89 LYS A CB 20 ATOM 30395 C CG . LYS A 1 89 ? -0.251 -23.360 3.682 1.00 0.00 ? 89 LYS A CG 20 ATOM 30396 C CD . LYS A 1 89 ? -1.026 -22.366 4.530 1.00 0.00 ? 89 LYS A CD 20 ATOM 30397 C CE . LYS A 1 89 ? -2.298 -21.910 3.832 1.00 0.00 ? 89 LYS A CE 20 ATOM 30398 N NZ . LYS A 1 89 ? -2.056 -20.738 2.946 1.00 0.00 ? 89 LYS A NZ 20 ATOM 30399 H H . LYS A 1 89 ? 2.548 -24.212 2.981 1.00 0.00 ? 89 LYS A H 20 ATOM 30400 H HA . LYS A 1 89 ? 1.345 -26.311 4.469 1.00 0.00 ? 89 LYS A HA 20 ATOM 30401 H HB2 . LYS A 1 89 ? -0.098 -24.684 5.334 1.00 0.00 ? 89 LYS A HB2 20 ATOM 30402 H HB3 . LYS A 1 89 ? 1.373 -23.788 4.979 1.00 0.00 ? 89 LYS A HB3 20 ATOM 30403 H HG2 . LYS A 1 89 ? 0.429 -22.818 3.042 1.00 0.00 ? 89 LYS A HG2 20 ATOM 30404 H HG3 . LYS A 1 89 ? -0.948 -23.922 3.076 1.00 0.00 ? 89 LYS A HG3 20 ATOM 30405 H HD2 . LYS A 1 89 ? -1.290 -22.833 5.467 1.00 0.00 ? 89 LYS A HD2 20 ATOM 30406 H HD3 . LYS A 1 89 ? -0.401 -21.504 4.719 1.00 0.00 ? 89 LYS A HD3 20 ATOM 30407 H HE2 . LYS A 1 89 ? -2.680 -22.727 3.239 1.00 0.00 ? 89 LYS A HE2 20 ATOM 30408 H HE3 . LYS A 1 89 ? -3.027 -21.639 4.582 1.00 0.00 ? 89 LYS A HE3 20 ATOM 30409 H HZ1 . LYS A 1 89 ? -2.496 -20.897 2.017 1.00 0.00 ? 89 LYS A HZ1 20 ATOM 30410 H HZ2 . LYS A 1 89 ? -1.034 -20.597 2.812 1.00 0.00 ? 89 LYS A HZ2 20 ATOM 30411 H HZ3 . LYS A 1 89 ? -2.462 -19.880 3.369 1.00 0.00 ? 89 LYS A HZ3 20 ATOM 30412 N N . ALA A 1 90 ? 0.227 -25.811 1.519 1.00 0.00 ? 90 ALA A N 20 ATOM 30413 C CA . ALA A 1 90 ? -0.712 -26.263 0.501 1.00 0.00 ? 90 ALA A CA 20 ATOM 30414 C C . ALA A 1 90 ? -0.362 -27.665 0.015 1.00 0.00 ? 90 ALA A C 20 ATOM 30415 O O . ALA A 1 90 ? 0.754 -28.144 0.220 1.00 0.00 ? 90 ALA A O 20 ATOM 30416 C CB . ALA A 1 90 ? -0.734 -25.288 -0.667 1.00 0.00 ? 90 ALA A CB 20 ATOM 30417 H H . ALA A 1 90 ? 1.027 -25.315 1.246 1.00 0.00 ? 90 ALA A H 20 ATOM 30418 H HA . ALA A 1 90 ? -1.699 -26.281 0.942 1.00 0.00 ? 90 ALA A HA 20 ATOM 30419 H HB1 . ALA A 1 90 ? -0.695 -24.276 -0.291 1.00 0.00 ? 90 ALA A HB1 20 ATOM 30420 H HB2 . ALA A 1 90 ? 0.119 -25.469 -1.303 1.00 0.00 ? 90 ALA A HB2 20 ATOM 30421 H HB3 . ALA A 1 90 ? -1.643 -25.426 -1.234 1.00 0.00 ? 90 ALA A HB3 20 ATOM 30422 N N . HIS A 1 91 ? -1.323 -28.321 -0.628 1.00 0.00 ? 91 HIS A N 20 ATOM 30423 C CA . HIS A 1 91 ? -1.116 -29.670 -1.143 1.00 0.00 ? 91 HIS A CA 20 ATOM 30424 C C . HIS A 1 91 ? -0.864 -29.644 -2.648 1.00 0.00 ? 91 HIS A C 20 ATOM 30425 O O . HIS A 1 91 ? -1.797 -29.751 -3.445 1.00 0.00 ? 91 HIS A O 20 ATOM 30426 C CB . HIS A 1 91 ? -2.327 -30.549 -0.832 1.00 0.00 ? 91 HIS A CB 20 ATOM 30427 C CG . HIS A 1 91 ? -2.114 -31.997 -1.151 1.00 0.00 ? 91 HIS A CG 20 ATOM 30428 N ND1 . HIS A 1 91 ? -0.996 -32.699 -0.752 1.00 0.00 ? 91 HIS A ND1 20 ATOM 30429 C CD2 . HIS A 1 91 ? -2.885 -32.875 -1.834 1.00 0.00 ? 91 HIS A CD2 20 ATOM 30430 C CE1 . HIS A 1 91 ? -1.088 -33.946 -1.178 1.00 0.00 ? 91 HIS A CE1 20 ATOM 30431 N NE2 . HIS A 1 91 ? -2.225 -34.080 -1.837 1.00 0.00 ? 91 HIS A NE2 20 ATOM 30432 H H . HIS A 1 91 ? -2.191 -27.887 -0.760 1.00 0.00 ? 91 HIS A H 20 ATOM 30433 H HA . HIS A 1 91 ? -0.247 -30.082 -0.653 1.00 0.00 ? 91 HIS A HA 20 ATOM 30434 H HB2 . HIS A 1 91 ? -2.558 -30.472 0.220 1.00 0.00 ? 91 HIS A HB2 20 ATOM 30435 H HB3 . HIS A 1 91 ? -3.173 -30.202 -1.407 1.00 0.00 ? 91 HIS A HB3 20 ATOM 30436 H HD1 . HIS A 1 91 ? -0.247 -32.336 -0.236 1.00 0.00 ? 91 HIS A HD1 20 ATOM 30437 H HD2 . HIS A 1 91 ? -3.842 -32.668 -2.293 1.00 0.00 ? 91 HIS A HD2 20 ATOM 30438 H HE1 . HIS A 1 91 ? -0.358 -34.725 -1.015 1.00 0.00 ? 91 HIS A HE1 20 ATOM 30439 H HE2 . HIS A 1 91 ? -2.501 -34.880 -2.329 1.00 0.00 ? 91 HIS A HE2 20 ATOM 30440 N N . SER A 1 92 ? 0.401 -29.500 -3.030 1.00 0.00 ? 92 SER A N 20 ATOM 30441 C CA . SER A 1 92 ? 0.774 -29.456 -4.438 1.00 0.00 ? 92 SER A CA 20 ATOM 30442 C C . SER A 1 92 ? 0.766 -30.855 -5.047 1.00 0.00 ? 92 SER A C 20 ATOM 30443 O O . SER A 1 92 ? 1.816 -31.465 -5.244 1.00 0.00 ? 92 SER A O 20 ATOM 30444 C CB . SER A 1 92 ? 2.158 -28.824 -4.602 1.00 0.00 ? 92 SER A CB 20 ATOM 30445 O OG . SER A 1 92 ? 2.388 -28.440 -5.946 1.00 0.00 ? 92 SER A OG 20 ATOM 30446 H H . SER A 1 92 ? 1.099 -29.420 -2.347 1.00 0.00 ? 92 SER A H 20 ATOM 30447 H HA . SER A 1 92 ? 0.047 -28.847 -4.955 1.00 0.00 ? 92 SER A HA 20 ATOM 30448 H HB2 . SER A 1 92 ? 2.228 -27.950 -3.973 1.00 0.00 ? 92 SER A HB2 20 ATOM 30449 H HB3 . SER A 1 92 ? 2.913 -29.539 -4.309 1.00 0.00 ? 92 SER A HB3 20 ATOM 30450 H HG . SER A 1 92 ? 3.029 -27.726 -5.970 1.00 0.00 ? 92 SER A HG 20 ATOM 30451 N N . GLY A 1 93 ? -0.429 -31.358 -5.343 1.00 0.00 ? 93 GLY A N 20 ATOM 30452 C CA . GLY A 1 93 ? -0.553 -32.681 -5.926 1.00 0.00 ? 93 GLY A CA 20 ATOM 30453 C C . GLY A 1 93 ? 0.505 -33.640 -5.417 1.00 0.00 ? 93 GLY A C 20 ATOM 30454 O O . GLY A 1 93 ? 0.364 -34.246 -4.354 1.00 0.00 ? 93 GLY A O 20 ATOM 30455 H H . GLY A 1 93 ? -1.232 -30.826 -5.164 1.00 0.00 ? 93 GLY A H 20 ATOM 30456 H HA2 . GLY A 1 93 ? -1.528 -33.078 -5.688 1.00 0.00 ? 93 GLY A HA2 20 ATOM 30457 H HA3 . GLY A 1 93 ? -0.461 -32.599 -6.999 1.00 0.00 ? 93 GLY A HA3 20 ATOM 30458 N N . PRO A 1 94 ? 1.593 -33.790 -6.186 1.00 0.00 ? 94 PRO A N 20 ATOM 30459 C CA . PRO A 1 94 ? 2.699 -34.683 -5.827 1.00 0.00 ? 94 PRO A CA 20 ATOM 30460 C C . PRO A 1 94 ? 3.495 -34.169 -4.632 1.00 0.00 ? 94 PRO A C 20 ATOM 30461 O O . PRO A 1 94 ? 4.523 -33.512 -4.795 1.00 0.00 ? 94 PRO A O 20 ATOM 30462 C CB . PRO A 1 94 ? 3.571 -34.691 -7.086 1.00 0.00 ? 94 PRO A CB 20 ATOM 30463 C CG . PRO A 1 94 ? 3.271 -33.398 -7.762 1.00 0.00 ? 94 PRO A CG 20 ATOM 30464 C CD . PRO A 1 94 ? 1.828 -33.100 -7.465 1.00 0.00 ? 94 PRO A CD 20 ATOM 30465 H HA . PRO A 1 94 ? 2.351 -35.684 -5.622 1.00 0.00 ? 94 PRO A HA 20 ATOM 30466 H HB2 . PRO A 1 94 ? 4.612 -34.759 -6.805 1.00 0.00 ? 94 PRO A HB2 20 ATOM 30467 H HB3 . PRO A 1 94 ? 3.304 -35.533 -7.707 1.00 0.00 ? 94 PRO A HB3 20 ATOM 30468 H HG2 . PRO A 1 94 ? 3.905 -32.620 -7.365 1.00 0.00 ? 94 PRO A HG2 20 ATOM 30469 H HG3 . PRO A 1 94 ? 3.421 -33.498 -8.827 1.00 0.00 ? 94 PRO A HG3 20 ATOM 30470 H HD2 . PRO A 1 94 ? 1.676 -32.035 -7.362 1.00 0.00 ? 94 PRO A HD2 20 ATOM 30471 H HD3 . PRO A 1 94 ? 1.192 -33.500 -8.241 1.00 0.00 ? 94 PRO A HD3 20 ATOM 30472 N N . SER A 1 95 ? 3.012 -34.472 -3.431 1.00 0.00 ? 95 SER A N 20 ATOM 30473 C CA . SER A 1 95 ? 3.677 -34.037 -2.208 1.00 0.00 ? 95 SER A CA 20 ATOM 30474 C C . SER A 1 95 ? 4.349 -35.214 -1.508 1.00 0.00 ? 95 SER A C 20 ATOM 30475 O O . SER A 1 95 ? 3.866 -36.344 -1.567 1.00 0.00 ? 95 SER A O 20 ATOM 30476 C CB . SER A 1 95 ? 2.672 -33.374 -1.265 1.00 0.00 ? 95 SER A CB 20 ATOM 30477 O OG . SER A 1 95 ? 3.323 -32.817 -0.136 1.00 0.00 ? 95 SER A OG 20 ATOM 30478 H H . SER A 1 95 ? 2.188 -34.998 -3.367 1.00 0.00 ? 95 SER A H 20 ATOM 30479 H HA . SER A 1 95 ? 4.433 -33.316 -2.480 1.00 0.00 ? 95 SER A HA 20 ATOM 30480 H HB2 . SER A 1 95 ? 2.153 -32.587 -1.791 1.00 0.00 ? 95 SER A HB2 20 ATOM 30481 H HB3 . SER A 1 95 ? 1.959 -34.112 -0.926 1.00 0.00 ? 95 SER A HB3 20 ATOM 30482 H HG . SER A 1 95 ? 3.908 -33.471 0.252 1.00 0.00 ? 95 SER A HG 20 ATOM 30483 N N . SER A 1 96 ? 5.468 -34.939 -0.845 1.00 0.00 ? 96 SER A N 20 ATOM 30484 C CA . SER A 1 96 ? 6.210 -35.974 -0.136 1.00 0.00 ? 96 SER A CA 20 ATOM 30485 C C . SER A 1 96 ? 6.142 -35.756 1.373 1.00 0.00 ? 96 SER A C 20 ATOM 30486 O O . SER A 1 96 ? 6.374 -34.651 1.862 1.00 0.00 ? 96 SER A O 20 ATOM 30487 C CB . SER A 1 96 ? 7.670 -35.990 -0.594 1.00 0.00 ? 96 SER A CB 20 ATOM 30488 O OG . SER A 1 96 ? 8.292 -34.738 -0.359 1.00 0.00 ? 96 SER A OG 20 ATOM 30489 H H . SER A 1 96 ? 5.803 -34.018 -0.835 1.00 0.00 ? 96 SER A H 20 ATOM 30490 H HA . SER A 1 96 ? 5.758 -36.926 -0.371 1.00 0.00 ? 96 SER A HA 20 ATOM 30491 H HB2 . SER A 1 96 ? 8.207 -36.753 -0.051 1.00 0.00 ? 96 SER A HB2 20 ATOM 30492 H HB3 . SER A 1 96 ? 7.710 -36.205 -1.652 1.00 0.00 ? 96 SER A HB3 20 ATOM 30493 H HG . SER A 1 96 ? 9.246 -34.845 -0.382 1.00 0.00 ? 96 SER A HG 20 ATOM 30494 N N . GLY A 1 97 ? 5.821 -36.819 2.104 1.00 0.00 ? 97 GLY A N 20 ATOM 30495 C CA . GLY A 1 97 ? 5.726 -36.723 3.549 1.00 0.00 ? 97 GLY A CA 20 ATOM 30496 C C . GLY A 1 97 ? 4.620 -35.789 3.998 1.00 0.00 ? 97 GLY A C 20 ATOM 30497 O O . GLY A 1 97 ? 4.395 -35.613 5.195 1.00 0.00 ? 97 GLY A O 20 ATOM 30498 H H . GLY A 1 97 ? 5.646 -37.674 1.659 1.00 0.00 ? 97 GLY A H 20 ATOM 30499 H HA2 . GLY A 1 97 ? 5.538 -37.707 3.953 1.00 0.00 ? 97 GLY A HA2 20 ATOM 30500 H HA3 . GLY A 1 97 ? 6.667 -36.360 3.937 1.00 0.00 ? 97 GLY A HA3 20 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 1 1 GLY GLY A . n A 1 2 SER 2 2 2 SER SER A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 SER 6 6 6 SER SER A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 MET 8 8 8 MET MET A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 GLY 10 10 10 GLY GLY A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 HIS 16 16 16 HIS HIS A . n A 1 17 GLN 17 17 17 GLN GLN A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 ARG 20 20 20 ARG ARG A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 ALA 22 22 22 ALA ALA A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 ARG 24 24 24 ARG ARG A . n A 1 25 LEU 25 25 25 LEU LEU A . n A 1 26 LEU 26 26 26 LEU LEU A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 GLY 29 29 29 GLY GLY A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 TYR 31 31 31 TYR TYR A . n A 1 32 GLU 32 32 32 GLU GLU A . n A 1 33 GLU 33 33 33 GLU GLU A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 ILE 35 35 35 ILE ILE A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 CYS 37 37 37 CYS CYS A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 LYS 40 40 40 LYS LYS A . n A 1 41 ALA 41 41 41 ALA ALA A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 TYR 44 44 44 TYR TYR A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 SER 46 46 46 SER SER A . n A 1 47 GLU 47 47 47 GLU GLU A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 MET 49 49 49 MET MET A . n A 1 50 LYS 50 50 50 LYS LYS A . n A 1 51 LEU 51 51 51 LEU LEU A . n A 1 52 THR 52 52 52 THR THR A . n A 1 53 GLU 53 53 53 GLU GLU A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 GLN 56 56 56 GLN GLN A . n A 1 57 ALA 57 57 57 ALA ALA A . n A 1 58 HIS 58 58 58 HIS HIS A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 SER 60 60 60 SER SER A . n A 1 61 LEU 61 61 61 LEU LEU A . n A 1 62 GLU 62 62 62 GLU GLU A . n A 1 63 LEU 63 63 63 LEU LEU A . n A 1 64 GLN 64 64 64 GLN GLN A . n A 1 65 ARG 65 65 65 ARG ARG A . n A 1 66 ASP 66 66 66 ASP ASP A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 MET 69 69 69 MET MET A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 LEU 72 72 72 LEU LEU A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 GLN 76 76 76 GLN GLN A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 ARG 78 78 78 ARG ARG A . n A 1 79 TRP 79 79 79 TRP TRP A . n A 1 80 LYS 80 80 80 LYS LYS A . n A 1 81 ARG 81 81 81 ARG ARG A . n A 1 82 ALA 82 82 82 ALA ALA A . n A 1 83 LYS 83 83 83 LYS LYS A . n A 1 84 ARG 84 84 84 ARG ARG A . n A 1 85 GLU 85 85 85 GLU GLU A . n A 1 86 GLU 86 86 86 GLU GLU A . n A 1 87 ARG 87 87 87 ARG ARG A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 ALA 90 90 90 ALA ALA A . n A 1 91 HIS 91 91 91 HIS HIS A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 PRO 94 94 94 PRO PRO A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 SER 96 96 96 SER SER A . n A 1 97 GLY 97 97 97 GLY GLY A . n # _pdbx_SG_project.id 1 _pdbx_SG_project.project_name 'NPPSFA, National Project on Protein Structural and Functional Analyses' _pdbx_SG_project.full_name_of_center 'RIKEN Structural Genomics/Proteomics Initiative' _pdbx_SG_project.initial_of_center RSGI # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2005-11-20 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 SER A 5 ? ? -102.89 40.93 2 1 LYS A 30 ? ? -81.34 43.05 3 1 HIS A 68 ? ? -37.55 -27.98 4 1 TRP A 79 ? ? -90.91 -63.92 5 1 HIS A 91 ? ? -68.29 99.96 6 2 SER A 5 ? ? -60.98 92.24 7 2 LYS A 30 ? ? -95.75 41.06 8 2 HIS A 68 ? ? -37.95 -27.57 9 2 ALA A 90 ? ? -92.75 47.54 10 2 HIS A 91 ? ? 35.37 53.03 11 2 PRO A 94 ? ? -69.76 88.24 12 3 MET A 8 ? ? -105.41 44.50 13 3 TYR A 31 ? ? -54.87 -70.51 14 3 CYS A 37 ? ? -34.68 -34.16 15 3 THR A 52 ? ? -39.88 132.32 16 3 GLU A 62 ? ? -38.92 -37.92 17 3 HIS A 68 ? ? -37.27 -28.47 18 3 HIS A 91 ? ? -60.50 84.04 19 3 SER A 96 ? ? -165.06 114.56 20 4 MET A 8 ? ? -69.44 83.60 21 4 LYS A 30 ? ? -91.92 39.04 22 4 GLU A 62 ? ? -38.37 -35.68 23 4 ASP A 66 ? ? -34.58 -70.85 24 4 HIS A 68 ? ? -37.75 -27.78 25 5 SER A 3 ? ? -174.47 119.96 26 5 MET A 8 ? ? -57.14 87.05 27 5 SER A 19 ? ? -34.60 -37.25 28 5 LYS A 30 ? ? -84.70 46.36 29 5 LEU A 51 ? ? -109.99 -61.25 30 5 HIS A 68 ? ? -37.57 -28.06 31 5 SER A 92 ? ? -59.60 107.40 32 6 SER A 2 ? ? -171.90 120.26 33 6 GLU A 9 ? ? -78.15 47.83 34 6 LYS A 30 ? ? -85.24 36.97 35 6 TYR A 31 ? ? -35.18 -72.70 36 6 ASP A 66 ? ? -35.12 -70.41 37 6 HIS A 68 ? ? -37.75 -27.75 38 6 ALA A 90 ? ? -44.78 162.46 39 6 HIS A 91 ? ? -98.77 -60.87 40 7 LYS A 30 ? ? -84.33 43.38 41 7 GLU A 53 ? ? -98.87 30.82 42 7 ASP A 66 ? ? -38.02 -70.63 43 7 HIS A 68 ? ? -37.96 -27.60 44 7 TRP A 79 ? ? -91.77 -65.55 45 8 SER A 6 ? ? -101.97 78.07 46 8 LEU A 14 ? ? -38.83 -39.28 47 8 GLN A 17 ? ? -37.55 -34.44 48 8 LYS A 30 ? ? -82.46 42.78 49 8 GLN A 56 ? ? -38.82 -34.42 50 8 ASP A 66 ? ? -57.42 -70.28 51 8 LYS A 83 ? ? -35.18 -34.82 52 8 GLU A 85 ? ? -38.51 -30.19 53 8 LEU A 88 ? ? -90.93 -65.20 54 8 ALA A 90 ? ? -62.81 95.18 55 9 SER A 2 ? ? 37.59 41.29 56 9 SER A 3 ? ? -57.87 173.63 57 9 SER A 6 ? ? -45.25 151.63 58 9 MET A 8 ? ? -66.09 86.02 59 9 LYS A 30 ? ? -88.94 41.86 60 9 ASP A 66 ? ? -35.35 -70.44 61 9 HIS A 68 ? ? -36.79 -29.07 62 10 MET A 8 ? ? -99.92 36.33 63 10 LYS A 30 ? ? -93.57 32.80 64 10 HIS A 68 ? ? -37.78 -27.59 65 10 GLU A 86 ? ? -35.80 -39.78 66 11 SER A 2 ? ? 39.42 44.39 67 11 SER A 3 ? ? -44.71 160.81 68 11 SER A 5 ? ? -164.24 117.88 69 11 MET A 8 ? ? 35.52 49.81 70 11 LEU A 51 ? ? -96.29 -62.54 71 11 HIS A 68 ? ? -38.51 -27.43 72 11 LYS A 89 ? ? -48.89 -19.13 73 11 HIS A 91 ? ? 38.22 46.34 74 11 PRO A 94 ? ? -69.76 1.36 75 12 GLU A 33 ? ? -38.83 -35.13 76 12 LEU A 61 ? ? -91.73 -64.76 77 12 HIS A 68 ? ? -38.92 -28.05 78 12 LEU A 88 ? ? -67.37 -71.92 79 12 PRO A 94 ? ? -69.71 86.35 80 12 SER A 95 ? ? -57.74 105.98 81 13 MET A 8 ? ? -108.26 59.88 82 13 GLU A 9 ? ? -68.78 75.89 83 13 LYS A 30 ? ? -91.11 45.92 84 13 GLU A 33 ? ? -36.10 -30.33 85 13 HIS A 68 ? ? -36.32 -29.82 86 13 PRO A 94 ? ? -69.77 91.46 87 14 LYS A 30 ? ? -82.21 40.77 88 14 GLU A 62 ? ? -39.69 -27.43 89 14 HIS A 68 ? ? -38.11 -26.98 90 15 MET A 8 ? ? -105.92 45.97 91 15 LYS A 30 ? ? -91.92 49.57 92 15 SER A 92 ? ? -35.58 144.80 93 16 MET A 8 ? ? -65.62 79.40 94 16 ALA A 22 ? ? -39.60 -25.16 95 16 LYS A 30 ? ? -87.34 46.09 96 16 LEU A 51 ? ? -122.70 -56.91 97 16 TRP A 79 ? ? -92.04 -61.54 98 16 ARG A 84 ? ? -91.75 -61.17 99 16 GLU A 85 ? ? -38.18 -35.73 100 17 LYS A 30 ? ? -93.24 36.42 101 17 LEU A 51 ? ? -94.81 -62.48 102 17 SER A 54 ? ? -45.82 162.21 103 17 LEU A 61 ? ? -94.75 -62.66 104 17 LEU A 63 ? ? -91.69 -66.36 105 17 HIS A 68 ? ? -37.46 -28.22 106 17 SER A 92 ? ? -53.15 100.57 107 18 LEU A 14 ? ? -38.13 -39.07 108 18 LYS A 30 ? ? -84.89 39.51 109 18 SER A 60 ? ? -36.20 -32.39 110 18 GLU A 62 ? ? -36.12 -31.46 111 18 HIS A 68 ? ? -37.54 -28.06 112 18 SER A 95 ? ? -37.77 136.98 113 19 MET A 8 ? ? -45.09 97.02 114 19 LEU A 74 ? ? -77.21 -72.43 115 19 ILE A 75 ? ? -38.84 -31.39 116 20 SER A 6 ? ? -168.58 116.78 117 20 MET A 8 ? ? -102.52 -64.76 118 20 LYS A 30 ? ? -80.39 44.38 119 20 LEU A 51 ? ? -106.38 -62.54 120 20 THR A 52 ? ? -38.25 123.75 121 20 HIS A 68 ? ? -35.81 -30.74 122 20 PRO A 94 ? ? -69.79 84.33 # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/2q2k.cif ================================================ data_2Q2K # _entry.id 2Q2K # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2Q2K NDB PD1007 RCSB RCSB043068 WWPDB D_1000043068 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2Q2K _pdbx_database_status.recvd_initial_deposition_date 2007-05-28 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Schumacher, M.A.' 1 'Glover, T.' 2 'Firth, N.' 3 # _citation.id primary _citation.title 'Segrosome structure revealed by a complex of ParR with centromere DNA.' _citation.journal_abbrev Nature _citation.journal_volume 450 _citation.page_first 1268 _citation.page_last 1271 _citation.year 2007 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18097417 _citation.pdbx_database_id_DOI 10.1038/nature06392 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Schumacher, M.A.' 1 primary 'Glover, T.C.' 2 primary 'Brzoska, A.J.' 3 primary 'Jensen, S.O.' 4 primary 'Dunham, T.D.' 5 primary 'Skurray, R.A.' 6 primary 'Firth, N.' 7 # _cell.entry_id 2Q2K _cell.length_a 56.300 _cell.length_b 56.300 _cell.length_c 232.500 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 24 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2Q2K _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer syn ;DNA (5'-D(*AP*GP*TP*AP*TP*AP*(5IU)P*AP*CP*(5IU)P*AP*GP*TP*AP*TP*AP*TP*AP*CP*T)-3') ; 6354.755 1 ? ? ? ? 2 polymer man 'Hypothetical protein' 8167.265 2 ? ? ? ? 3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305 1 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 polydeoxyribonucleotide no yes ;(DA)(DG)(DT)(DA)(DT)(DA)(5IU)(DA)(DC)(5IU)(DA)(DG)(DT)(DA)(DT)(DA)(DT)(DA)(DC) (DT) ; AGTATAUACUAGTATATACT F ? 2 'polypeptide(L)' no no MGSSHHHHHHSSGLVPGSHMDKKETKHLLKIKKEDYPQIFDFLENVPRGTKTAHIREALRRYIEEIGENP MGSSHHHHHHSSGLVPGSHMDKKETKHLLKIKKEDYPQIFDFLENVPRGTKTAHIREALRRYIEEIGENP A,B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 DA n 1 2 DG n 1 3 DT n 1 4 DA n 1 5 DT n 1 6 DA n 1 7 5IU n 1 8 DA n 1 9 DC n 1 10 5IU n 1 11 DA n 1 12 DG n 1 13 DT n 1 14 DA n 1 15 DT n 1 16 DA n 1 17 DT n 1 18 DA n 1 19 DC n 1 20 DT n 2 1 MET n 2 2 GLY n 2 3 SER n 2 4 SER n 2 5 HIS n 2 6 HIS n 2 7 HIS n 2 8 HIS n 2 9 HIS n 2 10 HIS n 2 11 SER n 2 12 SER n 2 13 GLY n 2 14 LEU n 2 15 VAL n 2 16 PRO n 2 17 GLY n 2 18 SER n 2 19 HIS n 2 20 MET n 2 21 ASP n 2 22 LYS n 2 23 LYS n 2 24 GLU n 2 25 THR n 2 26 LYS n 2 27 HIS n 2 28 LEU n 2 29 LEU n 2 30 LYS n 2 31 ILE n 2 32 LYS n 2 33 LYS n 2 34 GLU n 2 35 ASP n 2 36 TYR n 2 37 PRO n 2 38 GLN n 2 39 ILE n 2 40 PHE n 2 41 ASP n 2 42 PHE n 2 43 LEU n 2 44 GLU n 2 45 ASN n 2 46 VAL n 2 47 PRO n 2 48 ARG n 2 49 GLY n 2 50 THR n 2 51 LYS n 2 52 THR n 2 53 ALA n 2 54 HIS n 2 55 ILE n 2 56 ARG n 2 57 GLU n 2 58 ALA n 2 59 LEU n 2 60 ARG n 2 61 ARG n 2 62 TYR n 2 63 ILE n 2 64 GLU n 2 65 GLU n 2 66 ILE n 2 67 GLY n 2 68 GLU n 2 69 ASN n 2 70 PRO n # _entity_src_gen.entity_id 2 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus Staphylococcus _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Staphylococcus aureus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 1280 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species 'Escherichia coli' _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pET15b _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP Q2FDA3_STAA3 Q2FDA3 2 MDKKETKHLLKIKKEDYPQIFDFLENVPRGTKTAHIREALRRYIEEIGENP 1 ? 2 PDB 2Q2K 2Q2K 1 ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 2Q2K A 20 ? 70 ? Q2FDA3 1 ? 51 ? 1 51 2 1 2Q2K B 20 ? 70 ? Q2FDA3 1 ? 51 ? 1 51 3 2 2Q2K F 1 ? 20 ? 2Q2K 12 ? 31 ? 12 31 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2Q2K MET A 1 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -18 1 1 2Q2K GLY A 2 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -17 2 1 2Q2K SER A 3 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -16 3 1 2Q2K SER A 4 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -15 4 1 2Q2K HIS A 5 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -14 5 1 2Q2K HIS A 6 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -13 6 1 2Q2K HIS A 7 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -12 7 1 2Q2K HIS A 8 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -11 8 1 2Q2K HIS A 9 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -10 9 1 2Q2K HIS A 10 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -9 10 1 2Q2K SER A 11 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -8 11 1 2Q2K SER A 12 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -7 12 1 2Q2K GLY A 13 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -6 13 1 2Q2K LEU A 14 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -5 14 1 2Q2K VAL A 15 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -4 15 1 2Q2K PRO A 16 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -3 16 1 2Q2K GLY A 17 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -2 17 1 2Q2K SER A 18 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -1 18 1 2Q2K HIS A 19 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' 0 19 2 2Q2K MET B 1 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -18 20 2 2Q2K GLY B 2 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -17 21 2 2Q2K SER B 3 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -16 22 2 2Q2K SER B 4 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -15 23 2 2Q2K HIS B 5 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -14 24 2 2Q2K HIS B 6 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -13 25 2 2Q2K HIS B 7 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -12 26 2 2Q2K HIS B 8 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -11 27 2 2Q2K HIS B 9 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -10 28 2 2Q2K HIS B 10 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -9 29 2 2Q2K SER B 11 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -8 30 2 2Q2K SER B 12 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -7 31 2 2Q2K GLY B 13 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -6 32 2 2Q2K LEU B 14 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -5 33 2 2Q2K VAL B 15 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -4 34 2 2Q2K PRO B 16 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -3 35 2 2Q2K GLY B 17 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -2 36 2 2Q2K SER B 18 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' -1 37 2 2Q2K HIS B 19 ? UNP Q2FDA3 ? ? 'EXPRESSION TAG' 0 38 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight 5IU 'DNA linking' n "5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE" ? 'C9 H12 I N2 O8 P' 434.078 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 EPE non-polymer . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES 'C8 H18 N2 O4 S' 238.305 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2Q2K _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.32 _exptl_crystal.density_percent_sol 47.06 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details 'PEG 4000, isopropanol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # loop_ _exptl_crystal_grow_comp.crystal_id _exptl_crystal_grow_comp.id _exptl_crystal_grow_comp.sol_id _exptl_crystal_grow_comp.name _exptl_crystal_grow_comp.volume _exptl_crystal_grow_comp.conc _exptl_crystal_grow_comp.details 1 1 1 'PEG 4000' ? ? ? 1 2 1 isopropanol ? ? ? 1 3 1 HEPES ? ? ? 1 4 2 'PEG 4000' ? ? ? 1 5 2 isopropanol ? ? ? 1 6 2 HEPES ? ? ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date 2007-04-04 _diffrn_detector.details mirrors # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.03 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 8.3.1' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 8.3.1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.03 # _reflns.entry_id 2Q2K _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 77.6 _reflns.d_resolution_high 3.0 _reflns.number_obs 4506 _reflns.number_all 4650 _reflns.percent_possible_obs 97. _reflns.pdbx_Rmerge_I_obs 0.058 _reflns.pdbx_Rsym_value 0.06 _reflns.pdbx_netI_over_sigmaI 15.0 _reflns.B_iso_Wilson_estimate 87.0 _reflns.pdbx_redundancy 3.0 _reflns.R_free_details ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 3.00 _reflns_shell.d_res_low 3.19 _reflns_shell.percent_possible_all 97 _reflns_shell.Rmerge_I_obs .372 _reflns_shell.pdbx_Rsym_value 0.365 _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy 3 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 450 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 2Q2K _refine.ls_number_reflns_obs 4506 _refine.ls_number_reflns_all 4650 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 1236191.32 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 41.27 _refine.ls_d_res_high 3.00 _refine.ls_percent_reflns_obs 91.7 _refine.ls_R_factor_obs 0.258 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.258 _refine.ls_R_factor_R_free 0.297 _refine.ls_R_factor_R_free_error 0.014 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 9.5 _refine.ls_number_reflns_R_free 426 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 77.4 _refine.aniso_B[1][1] 8.22 _refine.aniso_B[2][2] 8.22 _refine.aniso_B[3][3] -16.43 _refine.aniso_B[1][2] 21.74 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.342795 _refine.solvent_model_param_bsol 50.0649 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MIR _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 2Q2K _refine_analyze.Luzzati_coordinate_error_obs 0.46 _refine_analyze.Luzzati_sigma_a_obs 0.58 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.55 _refine_analyze.Luzzati_sigma_a_free 0.52 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 762 _refine_hist.pdbx_number_atoms_nucleic_acid 407 _refine_hist.pdbx_number_atoms_ligand 15 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 1184 _refine_hist.d_res_high 3.00 _refine_hist.d_res_low 41.27 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.011 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.6 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 20.8 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.29 ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 2.63 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 4.47 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 3.66 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 5.69 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 3.00 _refine_ls_shell.d_res_low 3.19 _refine_ls_shell.number_reflns_R_work 492 _refine_ls_shell.R_factor_R_work 0.423 _refine_ls_shell.percent_reflns_obs 69.5 _refine_ls_shell.R_factor_R_free 0.385 _refine_ls_shell.R_factor_R_free_error 0.061 _refine_ls_shell.percent_reflns_R_free 9.1 _refine_ls_shell.number_reflns_R_free 49 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 450 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 protein_rep.param protein.top 'X-RAY DIFFRACTION' 2 water_rep.param water.top 'X-RAY DIFFRACTION' 3 ion.param ion.top 'X-RAY DIFFRACTION' 4 dna-rna.param.txt dna-rna.top 'X-RAY DIFFRACTION' 5 hepes.param hepes.top 'X-RAY DIFFRACTION' # _struct.entry_id 2Q2K _struct.title 'Structure of nucleic-acid binding protein' _struct.pdbx_descriptor 'Hypothetical protein/DNA Complex' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2Q2K _struct_keywords.pdbx_keywords 'DNA BINDING PROTEIN/DNA' _struct_keywords.text 'protein-DNA, partition, segregation, parB, DNA BINDING PROTEIN-DNA COMPLEX' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 TYR B 36 ? GLU B 44 ? TYR A 17 GLU A 25 1 ? 9 HELX_P HELX_P2 2 THR B 50 ? ILE B 66 ? THR A 31 ILE A 47 1 ? 17 HELX_P HELX_P3 3 TYR C 36 ? VAL C 46 ? TYR B 17 VAL B 27 1 ? 11 HELX_P HELX_P4 4 THR C 50 ? GLU C 65 ? THR B 31 GLU B 46 1 ? 16 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order covale1 covale ? ? A DA 6 "O3'" ? ? ? 1_555 A 5IU 7 P ? ? F DA 17 F 5IU 18 1_555 ? ? ? ? ? ? ? 1.606 ? covale2 covale ? ? A 5IU 7 "O3'" ? ? ? 1_555 A DA 8 P ? ? F 5IU 18 F DA 19 1_555 ? ? ? ? ? ? ? 1.612 ? covale3 covale ? ? A DC 9 "O3'" ? ? ? 1_555 A 5IU 10 P ? ? F DC 20 F 5IU 21 1_555 ? ? ? ? ? ? ? 1.593 ? covale4 covale ? ? A 5IU 10 "O3'" ? ? ? 1_555 A DA 11 P ? ? F 5IU 21 F DA 22 1_555 ? ? ? ? ? ? ? 1.606 ? hydrog1 hydrog ? ? A DA 1 N1 ? ? ? 1_555 A DT 20 N3 ? ? F DA 12 F DT 31 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog2 hydrog ? ? A DA 1 N6 ? ? ? 1_555 A DT 20 O4 ? ? F DA 12 F DT 31 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog3 hydrog ? ? A DG 2 N1 ? ? ? 1_555 A DC 19 N3 ? ? F DG 13 F DC 30 10_665 ? ? ? ? ? ? 'DG-DC PAIR' ? ? hydrog4 hydrog ? ? A DT 3 N3 ? ? ? 1_555 A DA 18 N1 ? ? F DT 14 F DA 29 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog5 hydrog ? ? A DT 3 O4 ? ? ? 1_555 A DA 18 N6 ? ? F DT 14 F DA 29 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog6 hydrog ? ? A DA 4 N1 ? ? ? 1_555 A DT 17 N3 ? ? F DA 15 F DT 28 10_665 ? ? ? ? ? ? 'DA-DT PAIR' ? ? hydrog7 hydrog ? ? A DT 5 N3 ? ? ? 1_555 A DA 16 N1 ? ? F DT 16 F DA 27 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog8 hydrog ? ? A DT 5 O4 ? ? ? 1_555 A DA 16 N6 ? ? F DT 16 F DA 27 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog9 hydrog ? ? A DA 6 N1 ? ? ? 1_555 A DT 15 N3 ? ? F DA 17 F DT 26 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog10 hydrog ? ? A DA 6 N6 ? ? ? 1_555 A DT 15 O4 ? ? F DA 17 F DT 26 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog11 hydrog ? ? A 5IU 7 N3 ? ? ? 1_555 A DA 14 N1 ? ? F 5IU 18 F DA 25 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog12 hydrog ? ? A 5IU 7 O4 ? ? ? 1_555 A DA 14 N6 ? ? F 5IU 18 F DA 25 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog13 hydrog ? ? A DA 8 N1 ? ? ? 1_555 A DT 13 N3 ? ? F DA 19 F DT 24 10_665 ? ? ? ? ? ? 'DA-DT PAIR' ? ? hydrog14 hydrog ? ? A DC 9 N3 ? ? ? 1_555 A DG 12 N1 ? ? F DC 20 F DG 23 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog15 hydrog ? ? A DC 9 N4 ? ? ? 1_555 A DG 12 O6 ? ? F DC 20 F DG 23 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog16 hydrog ? ? A DC 9 O2 ? ? ? 1_555 A DG 12 N2 ? ? F DC 20 F DG 23 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog17 hydrog ? ? A 5IU 10 N3 ? ? ? 1_555 A DA 11 N1 ? ? F 5IU 21 F DA 22 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog18 hydrog ? ? A 5IU 10 O4 ? ? ? 1_555 A DA 11 N6 ? ? F 5IU 21 F DA 22 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog19 hydrog ? ? A DA 11 N1 ? ? ? 1_555 A 5IU 10 N3 ? ? F DA 22 F 5IU 21 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog20 hydrog ? ? A DA 11 N6 ? ? ? 1_555 A 5IU 10 O4 ? ? F DA 22 F 5IU 21 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog21 hydrog ? ? A DG 12 N1 ? ? ? 1_555 A DC 9 N3 ? ? F DG 23 F DC 20 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog22 hydrog ? ? A DG 12 N2 ? ? ? 1_555 A DC 9 O2 ? ? F DG 23 F DC 20 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog23 hydrog ? ? A DG 12 O6 ? ? ? 1_555 A DC 9 N4 ? ? F DG 23 F DC 20 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog24 hydrog ? ? A DT 13 N3 ? ? ? 1_555 A DA 8 N1 ? ? F DT 24 F DA 19 10_665 ? ? ? ? ? ? 'DT-DA PAIR' ? ? hydrog25 hydrog ? ? A DA 14 N1 ? ? ? 1_555 A 5IU 7 N3 ? ? F DA 25 F 5IU 18 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog26 hydrog ? ? A DA 14 N6 ? ? ? 1_555 A 5IU 7 O4 ? ? F DA 25 F 5IU 18 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog27 hydrog ? ? A DT 15 N3 ? ? ? 1_555 A DA 6 N1 ? ? F DT 26 F DA 17 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog28 hydrog ? ? A DT 15 O4 ? ? ? 1_555 A DA 6 N6 ? ? F DT 26 F DA 17 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog29 hydrog ? ? A DA 16 N1 ? ? ? 1_555 A DT 5 N3 ? ? F DA 27 F DT 16 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog30 hydrog ? ? A DA 16 N6 ? ? ? 1_555 A DT 5 O4 ? ? F DA 27 F DT 16 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog31 hydrog ? ? A DT 17 N3 ? ? ? 1_555 A DA 4 N1 ? ? F DT 28 F DA 15 10_665 ? ? ? ? ? ? 'DT-DA PAIR' ? ? hydrog32 hydrog ? ? A DA 18 N1 ? ? ? 1_555 A DT 3 N3 ? ? F DA 29 F DT 14 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog33 hydrog ? ? A DA 18 N6 ? ? ? 1_555 A DT 3 O4 ? ? F DA 29 F DT 14 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog34 hydrog ? ? A DC 19 O2 ? ? ? 1_555 A DG 2 N2 ? ? F DC 30 F DG 13 10_665 ? ? ? ? ? ? 'DC-DG PAIR' ? ? hydrog35 hydrog ? ? A DT 20 N3 ? ? ? 1_555 A DA 1 N1 ? ? F DT 31 F DA 12 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? hydrog36 hydrog ? ? A DT 20 O4 ? ? ? 1_555 A DA 1 N6 ? ? F DT 31 F DA 12 10_665 ? ? ? ? ? ? WATSON-CRICK ? ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference covale ? ? hydrog ? ? # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id A _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLU B 24 ? LYS B 32 ? GLU A 5 LYS A 13 A 2 GLU C 24 ? LYS C 32 ? GLU B 5 LYS B 13 # _pdbx_struct_sheet_hbond.sheet_id A _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id N _pdbx_struct_sheet_hbond.range_1_label_comp_id HIS _pdbx_struct_sheet_hbond.range_1_label_asym_id B _pdbx_struct_sheet_hbond.range_1_label_seq_id 27 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id N _pdbx_struct_sheet_hbond.range_1_auth_comp_id HIS _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 8 _pdbx_struct_sheet_hbond.range_2_label_atom_id O _pdbx_struct_sheet_hbond.range_2_label_comp_id LEU _pdbx_struct_sheet_hbond.range_2_label_asym_id C _pdbx_struct_sheet_hbond.range_2_label_seq_id 29 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id O _pdbx_struct_sheet_hbond.range_2_auth_comp_id LEU _pdbx_struct_sheet_hbond.range_2_auth_asym_id B _pdbx_struct_sheet_hbond.range_2_auth_seq_id 10 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id ? _struct_site.pdbx_auth_comp_id ? _struct_site.pdbx_auth_seq_id ? _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 1 _struct_site.details 'BINDING SITE FOR RESIDUE EPE A 3022' # _struct_site_gen.id 1 _struct_site_gen.site_id AC1 _struct_site_gen.pdbx_num_res 1 _struct_site_gen.label_comp_id PRO _struct_site_gen.label_asym_id B _struct_site_gen.label_seq_id 47 _struct_site_gen.pdbx_auth_ins_code ? _struct_site_gen.auth_comp_id PRO _struct_site_gen.auth_asym_id A _struct_site_gen.auth_seq_id 28 _struct_site_gen.label_atom_id . _struct_site_gen.label_alt_id ? _struct_site_gen.symmetry 1_555 _struct_site_gen.details ? # _database_PDB_matrix.entry_id 2Q2K _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2Q2K _atom_sites.fract_transf_matrix[1][1] 0.017762 _atom_sites.fract_transf_matrix[1][2] 0.010255 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.020510 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.004301 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C I N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 O "O5'" . DA A 1 1 ? 10.101 -2.584 7.575 1.00 97.59 ? 12 DA F "O5'" 1 ATOM 2 C "C5'" . DA A 1 1 ? 10.372 -3.413 6.443 1.00 86.45 ? 12 DA F "C5'" 1 ATOM 3 C "C4'" . DA A 1 1 ? 10.805 -2.534 5.296 1.00 83.53 ? 12 DA F "C4'" 1 ATOM 4 O "O4'" . DA A 1 1 ? 9.659 -2.162 4.499 1.00 82.79 ? 12 DA F "O4'" 1 ATOM 5 C "C3'" . DA A 1 1 ? 11.453 -1.223 5.733 1.00 80.94 ? 12 DA F "C3'" 1 ATOM 6 O "O3'" . DA A 1 1 ? 12.504 -0.876 4.831 1.00 79.60 ? 12 DA F "O3'" 1 ATOM 7 C "C2'" . DA A 1 1 ? 10.309 -0.224 5.676 1.00 81.43 ? 12 DA F "C2'" 1 ATOM 8 C "C1'" . DA A 1 1 ? 9.477 -0.750 4.514 1.00 79.98 ? 12 DA F "C1'" 1 ATOM 9 N N9 . DA A 1 1 ? 8.039 -0.507 4.596 1.00 76.31 ? 12 DA F N9 1 ATOM 10 C C8 . DA A 1 1 ? 7.172 -0.736 5.643 1.00 77.11 ? 12 DA F C8 1 ATOM 11 N N7 . DA A 1 1 ? 5.916 -0.492 5.349 1.00 79.71 ? 12 DA F N7 1 ATOM 12 C C5 . DA A 1 1 ? 5.964 -0.050 4.027 1.00 77.88 ? 12 DA F C5 1 ATOM 13 C C6 . DA A 1 1 ? 4.959 0.377 3.115 1.00 75.96 ? 12 DA F C6 1 ATOM 14 N N6 . DA A 1 1 ? 3.648 0.407 3.396 1.00 66.66 ? 12 DA F N6 1 ATOM 15 N N1 . DA A 1 1 ? 5.360 0.773 1.882 1.00 77.05 ? 12 DA F N1 1 ATOM 16 C C2 . DA A 1 1 ? 6.667 0.729 1.586 1.00 78.65 ? 12 DA F C2 1 ATOM 17 N N3 . DA A 1 1 ? 7.693 0.344 2.348 1.00 77.21 ? 12 DA F N3 1 ATOM 18 C C4 . DA A 1 1 ? 7.269 -0.036 3.566 1.00 75.90 ? 12 DA F C4 1 ATOM 19 P P . DG A 1 2 ? 13.355 0.447 5.085 1.00 74.58 ? 13 DG F P 1 ATOM 20 O OP1 . DG A 1 2 ? 14.764 0.120 4.774 1.00 75.12 ? 13 DG F OP1 1 ATOM 21 O OP2 . DG A 1 2 ? 13.002 1.003 6.411 1.00 75.89 ? 13 DG F OP2 1 ATOM 22 O "O5'" . DG A 1 2 ? 12.768 1.434 3.998 1.00 70.61 ? 13 DG F "O5'" 1 ATOM 23 C "C5'" . DG A 1 2 ? 12.818 1.093 2.635 1.00 66.48 ? 13 DG F "C5'" 1 ATOM 24 C "C4'" . DG A 1 2 ? 12.178 2.182 1.807 1.00 67.21 ? 13 DG F "C4'" 1 ATOM 25 O "O4'" . DG A 1 2 ? 10.739 2.183 1.972 1.00 68.49 ? 13 DG F "O4'" 1 ATOM 26 C "C3'" . DG A 1 2 ? 12.644 3.603 2.115 1.00 66.45 ? 13 DG F "C3'" 1 ATOM 27 O "O3'" . DG A 1 2 ? 12.771 4.300 0.880 1.00 67.83 ? 13 DG F "O3'" 1 ATOM 28 C "C2'" . DG A 1 2 ? 11.504 4.174 2.933 1.00 69.07 ? 13 DG F "C2'" 1 ATOM 29 C "C1'" . DG A 1 2 ? 10.296 3.477 2.329 1.00 69.66 ? 13 DG F "C1'" 1 ATOM 30 N N9 . DG A 1 2 ? 9.141 3.329 3.217 1.00 74.69 ? 13 DG F N9 1 ATOM 31 C C8 . DG A 1 2 ? 9.116 2.841 4.509 1.00 74.99 ? 13 DG F C8 1 ATOM 32 N N7 . DG A 1 2 ? 7.918 2.856 5.040 1.00 73.42 ? 13 DG F N7 1 ATOM 33 C C5 . DG A 1 2 ? 7.105 3.378 4.039 1.00 74.37 ? 13 DG F C5 1 ATOM 34 C C6 . DG A 1 2 ? 5.713 3.634 4.022 1.00 73.53 ? 13 DG F C6 1 ATOM 35 O O6 . DG A 1 2 ? 4.880 3.460 4.926 1.00 77.66 ? 13 DG F O6 1 ATOM 36 N N1 . DG A 1 2 ? 5.310 4.154 2.799 1.00 69.82 ? 13 DG F N1 1 ATOM 37 C C2 . DG A 1 2 ? 6.133 4.400 1.738 1.00 65.53 ? 13 DG F C2 1 ATOM 38 N N2 . DG A 1 2 ? 5.568 4.890 0.645 1.00 69.46 ? 13 DG F N2 1 ATOM 39 N N3 . DG A 1 2 ? 7.420 4.183 1.742 1.00 69.13 ? 13 DG F N3 1 ATOM 40 C C4 . DG A 1 2 ? 7.842 3.671 2.910 1.00 73.60 ? 13 DG F C4 1 ATOM 41 P P . DT A 1 3 ? 13.288 5.808 0.869 1.00 70.92 ? 14 DT F P 1 ATOM 42 O OP1 . DT A 1 3 ? 14.131 6.009 -0.334 1.00 62.34 ? 14 DT F OP1 1 ATOM 43 O OP2 . DT A 1 3 ? 13.862 6.029 2.227 1.00 69.43 ? 14 DT F OP2 1 ATOM 44 O "O5'" . DT A 1 3 ? 11.950 6.662 0.713 1.00 68.71 ? 14 DT F "O5'" 1 ATOM 45 C "C5'" . DT A 1 3 ? 10.940 6.273 -0.219 1.00 68.50 ? 14 DT F "C5'" 1 ATOM 46 C "C4'" . DT A 1 3 ? 9.679 7.093 -0.045 1.00 67.19 ? 14 DT F "C4'" 1 ATOM 47 O "O4'" . DT A 1 3 ? 8.811 6.550 0.978 1.00 68.09 ? 14 DT F "O4'" 1 ATOM 48 C "C3'" . DT A 1 3 ? 9.853 8.578 0.284 1.00 67.73 ? 14 DT F "C3'" 1 ATOM 49 O "O3'" . DT A 1 3 ? 9.149 9.382 -0.643 1.00 72.18 ? 14 DT F "O3'" 1 ATOM 50 C "C2'" . DT A 1 3 ? 9.189 8.744 1.641 1.00 67.08 ? 14 DT F "C2'" 1 ATOM 51 C "C1'" . DT A 1 3 ? 8.171 7.632 1.642 1.00 65.14 ? 14 DT F "C1'" 1 ATOM 52 N N1 . DT A 1 3 ? 7.754 7.188 2.999 1.00 62.91 ? 14 DT F N1 1 ATOM 53 C C2 . DT A 1 3 ? 6.433 7.356 3.338 1.00 64.40 ? 14 DT F C2 1 ATOM 54 O O2 . DT A 1 3 ? 5.581 7.785 2.555 1.00 70.33 ? 14 DT F O2 1 ATOM 55 N N3 . DT A 1 3 ? 6.132 6.996 4.629 1.00 60.96 ? 14 DT F N3 1 ATOM 56 C C4 . DT A 1 3 ? 6.994 6.469 5.583 1.00 59.85 ? 14 DT F C4 1 ATOM 57 O O4 . DT A 1 3 ? 6.581 6.190 6.729 1.00 65.01 ? 14 DT F O4 1 ATOM 58 C C5 . DT A 1 3 ? 8.344 6.283 5.142 1.00 56.48 ? 14 DT F C5 1 ATOM 59 C C7 . DT A 1 3 ? 9.333 5.684 6.091 1.00 53.51 ? 14 DT F C7 1 ATOM 60 C C6 . DT A 1 3 ? 8.656 6.654 3.895 1.00 56.89 ? 14 DT F C6 1 ATOM 61 P P . DA A 1 4 ? 9.488 10.954 -0.753 1.00 77.40 ? 15 DA F P 1 ATOM 62 O OP1 . DA A 1 4 ? 9.915 11.214 -2.160 1.00 74.53 ? 15 DA F OP1 1 ATOM 63 O OP2 . DA A 1 4 ? 10.342 11.426 0.376 1.00 78.60 ? 15 DA F OP2 1 ATOM 64 O "O5'" . DA A 1 4 ? 8.071 11.627 -0.498 1.00 83.38 ? 15 DA F "O5'" 1 ATOM 65 C "C5'" . DA A 1 4 ? 6.896 11.189 -1.188 1.00 81.82 ? 15 DA F "C5'" 1 ATOM 66 C "C4'" . DA A 1 4 ? 5.691 11.888 -0.613 1.00 80.16 ? 15 DA F "C4'" 1 ATOM 67 O "O4'" . DA A 1 4 ? 5.284 11.244 0.621 1.00 82.31 ? 15 DA F "O4'" 1 ATOM 68 C "C3'" . DA A 1 4 ? 6.026 13.328 -0.249 1.00 80.31 ? 15 DA F "C3'" 1 ATOM 69 O "O3'" . DA A 1 4 ? 5.015 14.211 -0.684 1.00 84.99 ? 15 DA F "O3'" 1 ATOM 70 C "C2'" . DA A 1 4 ? 6.187 13.306 1.262 1.00 80.58 ? 15 DA F "C2'" 1 ATOM 71 C "C1'" . DA A 1 4 ? 5.265 12.182 1.690 1.00 83.34 ? 15 DA F "C1'" 1 ATOM 72 N N9 . DA A 1 4 ? 5.650 11.468 2.915 1.00 86.11 ? 15 DA F N9 1 ATOM 73 C C8 . DA A 1 4 ? 6.907 11.087 3.351 1.00 86.89 ? 15 DA F C8 1 ATOM 74 N N7 . DA A 1 4 ? 6.892 10.404 4.476 1.00 83.48 ? 15 DA F N7 1 ATOM 75 C C5 . DA A 1 4 ? 5.547 10.342 4.811 1.00 82.99 ? 15 DA F C5 1 ATOM 76 C C6 . DA A 1 4 ? 4.870 9.749 5.889 1.00 83.43 ? 15 DA F C6 1 ATOM 77 N N6 . DA A 1 4 ? 5.477 9.095 6.872 1.00 84.00 ? 15 DA F N6 1 ATOM 78 N N1 . DA A 1 4 ? 3.526 9.859 5.925 1.00 85.59 ? 15 DA F N1 1 ATOM 79 C C2 . DA A 1 4 ? 2.912 10.538 4.944 1.00 88.67 ? 15 DA F C2 1 ATOM 80 N N3 . DA A 1 4 ? 3.437 11.150 3.880 1.00 86.28 ? 15 DA F N3 1 ATOM 81 C C4 . DA A 1 4 ? 4.772 11.007 3.869 1.00 86.38 ? 15 DA F C4 1 ATOM 82 P P . DT A 1 5 ? 5.327 15.781 -0.752 1.00 92.23 ? 16 DT F P 1 ATOM 83 O OP1 . DT A 1 5 ? 4.742 16.300 -2.022 1.00 92.13 ? 16 DT F OP1 1 ATOM 84 O OP2 . DT A 1 5 ? 6.777 15.995 -0.471 1.00 90.33 ? 16 DT F OP2 1 ATOM 85 O "O5'" . DT A 1 5 ? 4.491 16.329 0.487 1.00 90.65 ? 16 DT F "O5'" 1 ATOM 86 C "C5'" . DT A 1 5 ? 4.326 15.505 1.622 1.00 89.99 ? 16 DT F "C5'" 1 ATOM 87 C "C4'" . DT A 1 5 ? 3.146 15.948 2.440 1.00 91.66 ? 16 DT F "C4'" 1 ATOM 88 O "O4'" . DT A 1 5 ? 2.999 14.924 3.454 1.00 91.33 ? 16 DT F "O4'" 1 ATOM 89 C "C3'" . DT A 1 5 ? 3.394 17.266 3.170 1.00 93.14 ? 16 DT F "C3'" 1 ATOM 90 O "O3'" . DT A 1 5 ? 2.209 18.078 3.218 1.00 101.72 ? 16 DT F "O3'" 1 ATOM 91 C "C2'" . DT A 1 5 ? 3.851 16.833 4.551 1.00 90.61 ? 16 DT F "C2'" 1 ATOM 92 C "C1'" . DT A 1 5 ? 3.237 15.449 4.747 1.00 87.22 ? 16 DT F "C1'" 1 ATOM 93 N N1 . DT A 1 5 ? 4.117 14.496 5.494 1.00 83.24 ? 16 DT F N1 1 ATOM 94 C C2 . DT A 1 5 ? 3.541 13.639 6.414 1.00 81.98 ? 16 DT F C2 1 ATOM 95 O O2 . DT A 1 5 ? 2.337 13.542 6.586 1.00 86.53 ? 16 DT F O2 1 ATOM 96 N N3 . DT A 1 5 ? 4.434 12.892 7.141 1.00 77.26 ? 16 DT F N3 1 ATOM 97 C C4 . DT A 1 5 ? 5.805 12.902 7.051 1.00 74.97 ? 16 DT F C4 1 ATOM 98 O O4 . DT A 1 5 ? 6.465 12.212 7.817 1.00 68.68 ? 16 DT F O4 1 ATOM 99 C C5 . DT A 1 5 ? 6.348 13.776 6.029 1.00 76.65 ? 16 DT F C5 1 ATOM 100 C C7 . DT A 1 5 ? 7.830 13.831 5.830 1.00 75.33 ? 16 DT F C7 1 ATOM 101 C C6 . DT A 1 5 ? 5.489 14.507 5.304 1.00 79.97 ? 16 DT F C6 1 ATOM 102 P P . DA A 1 6 ? 2.125 19.333 4.239 1.00 107.80 ? 17 DA F P 1 ATOM 103 O OP1 . DA A 1 6 ? 1.169 20.335 3.693 1.00 104.19 ? 17 DA F OP1 1 ATOM 104 O OP2 . DA A 1 6 ? 3.507 19.765 4.618 1.00 108.21 ? 17 DA F OP2 1 ATOM 105 O "O5'" . DA A 1 6 ? 1.444 18.690 5.527 1.00 103.08 ? 17 DA F "O5'" 1 ATOM 106 C "C5'" . DA A 1 6 ? 0.087 18.246 5.496 1.00 97.54 ? 17 DA F "C5'" 1 ATOM 107 C "C4'" . DA A 1 6 ? -0.413 18.024 6.903 1.00 96.15 ? 17 DA F "C4'" 1 ATOM 108 O "O4'" . DA A 1 6 ? 0.257 16.855 7.438 1.00 96.29 ? 17 DA F "O4'" 1 ATOM 109 C "C3'" . DA A 1 6 ? -0.068 19.190 7.836 1.00 97.42 ? 17 DA F "C3'" 1 ATOM 110 O "O3'" . DA A 1 6 ? -1.104 19.561 8.728 1.00 96.45 ? 17 DA F "O3'" 1 ATOM 111 C "C2'" . DA A 1 6 ? 1.061 18.661 8.685 1.00 99.99 ? 17 DA F "C2'" 1 ATOM 112 C "C1'" . DA A 1 6 ? 0.865 17.166 8.685 1.00 97.61 ? 17 DA F "C1'" 1 ATOM 113 N N9 . DA A 1 6 ? 2.183 16.534 8.744 1.00 98.36 ? 17 DA F N9 1 ATOM 114 C C8 . DA A 1 6 ? 3.198 16.609 7.817 1.00 97.27 ? 17 DA F C8 1 ATOM 115 N N7 . DA A 1 6 ? 4.315 16.048 8.209 1.00 97.03 ? 17 DA F N7 1 ATOM 116 C C5 . DA A 1 6 ? 4.010 15.543 9.466 1.00 97.84 ? 17 DA F C5 1 ATOM 117 C C6 . DA A 1 6 ? 4.777 14.847 10.420 1.00 97.24 ? 17 DA F C6 1 ATOM 118 N N6 . DA A 1 6 ? 6.064 14.526 10.252 1.00 95.94 ? 17 DA F N6 1 ATOM 119 N N1 . DA A 1 6 ? 4.168 14.490 11.569 1.00 96.10 ? 17 DA F N1 1 ATOM 120 C C2 . DA A 1 6 ? 2.880 14.811 11.743 1.00 96.78 ? 17 DA F C2 1 ATOM 121 N N3 . DA A 1 6 ? 2.056 15.464 10.928 1.00 97.97 ? 17 DA F N3 1 ATOM 122 C C4 . DA A 1 6 ? 2.691 15.809 9.794 1.00 98.55 ? 17 DA F C4 1 HETATM 123 N N1 . 5IU A 1 7 ? 2.043 18.954 12.448 1.00 95.05 ? 18 5IU F N1 1 HETATM 124 C C2 . 5IU A 1 7 ? 2.905 18.143 13.153 1.00 92.86 ? 18 5IU F C2 1 HETATM 125 N N3 . 5IU A 1 7 ? 4.122 17.945 12.557 1.00 95.41 ? 18 5IU F N3 1 HETATM 126 C C4 . 5IU A 1 7 ? 4.563 18.479 11.369 1.00 100.96 ? 18 5IU F C4 1 HETATM 127 C C5 . 5IU A 1 7 ? 3.614 19.339 10.690 1.00 99.86 ? 18 5IU F C5 1 HETATM 128 C C6 . 5IU A 1 7 ? 2.419 19.525 11.254 1.00 97.00 ? 18 5IU F C6 1 HETATM 129 O O2 . 5IU A 1 7 ? 2.622 17.649 14.234 1.00 85.61 ? 18 5IU F O2 1 HETATM 130 O O4 . 5IU A 1 7 ? 5.692 18.208 10.967 1.00 105.16 ? 18 5IU F O4 1 HETATM 131 I I5 . 5IU A 1 7 ? 4.089 20.255 8.936 1.00 115.12 ? 18 5IU F I5 1 HETATM 132 C "C1'" . 5IU A 1 7 ? 0.701 19.182 13.038 1.00 98.98 ? 18 5IU F "C1'" 1 HETATM 133 C "C2'" . 5IU A 1 7 ? 0.211 20.618 13.099 1.00 100.05 ? 18 5IU F "C2'" 1 HETATM 134 C "C3'" . 5IU A 1 7 ? -1.269 20.379 13.332 1.00 99.11 ? 18 5IU F "C3'" 1 HETATM 135 C "C4'" . 5IU A 1 7 ? -1.555 19.123 12.497 1.00 97.49 ? 18 5IU F "C4'" 1 HETATM 136 O "O3'" . 5IU A 1 7 ? -1.485 20.107 14.720 1.00 102.07 ? 18 5IU F "O3'" 1 HETATM 137 O "O4'" . 5IU A 1 7 ? -0.272 18.493 12.261 1.00 100.86 ? 18 5IU F "O4'" 1 HETATM 138 C "C5'" . 5IU A 1 7 ? -2.267 19.414 11.201 1.00 93.15 ? 18 5IU F "C5'" 1 HETATM 139 O "O5'" . 5IU A 1 7 ? -1.940 20.727 10.767 1.00 92.58 ? 18 5IU F "O5'" 1 HETATM 140 P P . 5IU A 1 7 ? -1.000 20.961 9.509 1.00 93.60 ? 18 5IU F P 1 HETATM 141 O OP1 . 5IU A 1 7 ? -1.613 21.987 8.628 1.00 94.56 ? 18 5IU F OP1 1 HETATM 142 O OP2 . 5IU A 1 7 ? 0.371 21.175 10.012 1.00 92.30 ? 18 5IU F OP2 1 ATOM 143 P P . DA A 1 8 ? -2.268 21.174 15.640 1.00 103.63 ? 19 DA F P 1 ATOM 144 O OP1 . DA A 1 8 ? -3.580 20.551 15.973 1.00 103.46 ? 19 DA F OP1 1 ATOM 145 O OP2 . DA A 1 8 ? -2.219 22.545 15.049 1.00 101.62 ? 19 DA F OP2 1 ATOM 146 O "O5'" . DA A 1 8 ? -1.421 21.182 16.980 1.00 103.61 ? 19 DA F "O5'" 1 ATOM 147 C "C5'" . DA A 1 8 ? -1.212 19.981 17.722 1.00 102.52 ? 19 DA F "C5'" 1 ATOM 148 C "C4'" . DA A 1 8 ? 0.108 20.067 18.448 1.00 102.17 ? 19 DA F "C4'" 1 ATOM 149 O "O4'" . DA A 1 8 ? 1.200 19.816 17.521 1.00 100.44 ? 19 DA F "O4'" 1 ATOM 150 C "C3'" . DA A 1 8 ? 0.355 21.467 19.027 1.00 104.73 ? 19 DA F "C3'" 1 ATOM 151 O "O3'" . DA A 1 8 ? 0.935 21.412 20.339 1.00 106.95 ? 19 DA F "O3'" 1 ATOM 152 C "C2'" . DA A 1 8 ? 1.336 22.079 18.041 1.00 103.44 ? 19 DA F "C2'" 1 ATOM 153 C "C1'" . DA A 1 8 ? 2.149 20.856 17.681 1.00 99.23 ? 19 DA F "C1'" 1 ATOM 154 N N9 . DA A 1 8 ? 2.990 20.945 16.485 1.00 93.54 ? 19 DA F N9 1 ATOM 155 C C8 . DA A 1 8 ? 2.759 21.602 15.297 1.00 92.98 ? 19 DA F C8 1 ATOM 156 N N7 . DA A 1 8 ? 3.757 21.518 14.445 1.00 89.92 ? 19 DA F N7 1 ATOM 157 C C5 . DA A 1 8 ? 4.701 20.745 15.113 1.00 87.72 ? 19 DA F C5 1 ATOM 158 C C6 . DA A 1 8 ? 5.974 20.285 14.746 1.00 82.11 ? 19 DA F C6 1 ATOM 159 N N6 . DA A 1 8 ? 6.528 20.538 13.561 1.00 79.09 ? 19 DA F N6 1 ATOM 160 N N1 . DA A 1 8 ? 6.660 19.537 15.644 1.00 77.84 ? 19 DA F N1 1 ATOM 161 C C2 . DA A 1 8 ? 6.091 19.260 16.815 1.00 77.45 ? 19 DA F C2 1 ATOM 162 N N3 . DA A 1 8 ? 4.896 19.621 17.273 1.00 85.00 ? 19 DA F N3 1 ATOM 163 C C4 . DA A 1 8 ? 4.241 20.377 16.366 1.00 90.03 ? 19 DA F C4 1 ATOM 164 P P . DC A 1 9 ? 0.776 22.671 21.334 1.00 107.20 ? 20 DC F P 1 ATOM 165 O OP1 . DC A 1 9 ? -0.544 22.553 21.997 1.00 109.59 ? 20 DC F OP1 1 ATOM 166 O OP2 . DC A 1 9 ? 1.171 23.951 20.669 1.00 105.88 ? 20 DC F OP2 1 ATOM 167 O "O5'" . DC A 1 9 ? 1.849 22.402 22.458 1.00 106.13 ? 20 DC F "O5'" 1 ATOM 168 C "C5'" . DC A 1 9 ? 2.193 21.084 22.837 1.00 103.18 ? 20 DC F "C5'" 1 ATOM 169 C "C4'" . DC A 1 9 ? 3.656 21.045 23.202 1.00 97.71 ? 20 DC F "C4'" 1 ATOM 170 O "O4'" . DC A 1 9 ? 4.467 20.993 22.012 1.00 96.66 ? 20 DC F "O4'" 1 ATOM 171 C "C3'" . DC A 1 9 ? 4.117 22.285 23.960 1.00 95.54 ? 20 DC F "C3'" 1 ATOM 172 O "O3'" . DC A 1 9 ? 4.952 21.901 25.030 1.00 93.76 ? 20 DC F "O3'" 1 ATOM 173 C "C2'" . DC A 1 9 ? 4.893 23.086 22.929 1.00 92.93 ? 20 DC F "C2'" 1 ATOM 174 C "C1'" . DC A 1 9 ? 5.480 21.976 22.089 1.00 93.53 ? 20 DC F "C1'" 1 ATOM 175 N N1 . DC A 1 9 ? 5.892 22.296 20.709 1.00 90.62 ? 20 DC F N1 1 ATOM 176 C C2 . DC A 1 9 ? 7.161 21.865 20.268 1.00 87.04 ? 20 DC F C2 1 ATOM 177 O O2 . DC A 1 9 ? 7.905 21.249 21.057 1.00 90.23 ? 20 DC F O2 1 ATOM 178 N N3 . DC A 1 9 ? 7.536 22.116 19.000 1.00 82.21 ? 20 DC F N3 1 ATOM 179 C C4 . DC A 1 9 ? 6.709 22.746 18.173 1.00 79.41 ? 20 DC F C4 1 ATOM 180 N N4 . DC A 1 9 ? 7.113 22.928 16.924 1.00 76.41 ? 20 DC F N4 1 ATOM 181 C C5 . DC A 1 9 ? 5.425 23.209 18.591 1.00 82.68 ? 20 DC F C5 1 ATOM 182 C C6 . DC A 1 9 ? 5.061 22.972 19.858 1.00 87.17 ? 20 DC F C6 1 HETATM 183 N N1 . 5IU A 1 10 ? 8.898 24.911 22.168 1.00 93.46 ? 21 5IU F N1 1 HETATM 184 C C2 . 5IU A 1 10 ? 9.597 24.679 21.012 1.00 92.95 ? 21 5IU F C2 1 HETATM 185 N N3 . 5IU A 1 10 ? 8.988 25.131 19.873 1.00 96.51 ? 21 5IU F N3 1 HETATM 186 C C4 . 5IU A 1 10 ? 7.780 25.792 19.777 1.00 103.69 ? 21 5IU F C4 1 HETATM 187 C C5 . 5IU A 1 10 ? 7.108 26.018 21.025 1.00 105.90 ? 21 5IU F C5 1 HETATM 188 C C6 . 5IU A 1 10 ? 7.686 25.571 22.151 1.00 101.51 ? 21 5IU F C6 1 HETATM 189 O O2 . 5IU A 1 10 ? 10.676 24.115 20.993 1.00 89.52 ? 21 5IU F O2 1 HETATM 190 O O4 . 5IU A 1 10 ? 7.352 26.147 18.679 1.00 103.25 ? 21 5IU F O4 1 HETATM 191 I I5 . 5IU A 1 10 ? 5.351 27.014 21.068 1.00 128.45 ? 21 5IU F I5 1 HETATM 192 C "C1'" . 5IU A 1 10 ? 9.507 24.396 23.405 1.00 90.99 ? 21 5IU F "C1'" 1 HETATM 193 C "C2'" . 5IU A 1 10 ? 9.307 25.168 24.695 1.00 89.18 ? 21 5IU F "C2'" 1 HETATM 194 C "C3'" . 5IU A 1 10 ? 9.598 24.084 25.724 1.00 89.17 ? 21 5IU F "C3'" 1 HETATM 195 C "C4'" . 5IU A 1 10 ? 9.084 22.810 25.054 1.00 91.43 ? 21 5IU F "C4'" 1 HETATM 196 O "O3'" . 5IU A 1 10 ? 11.006 23.946 25.941 1.00 85.73 ? 21 5IU F "O3'" 1 HETATM 197 O "O4'" . 5IU A 1 10 ? 8.958 23.118 23.648 1.00 91.14 ? 21 5IU F "O4'" 1 HETATM 198 C "C5'" . 5IU A 1 10 ? 7.795 22.264 25.620 1.00 95.77 ? 21 5IU F "C5'" 1 HETATM 199 O "O5'" . 5IU A 1 10 ? 6.847 23.314 25.809 1.00 98.49 ? 21 5IU F "O5'" 1 HETATM 200 P P . 5IU A 1 10 ? 5.324 22.982 26.139 1.00 96.89 ? 21 5IU F P 1 HETATM 201 O OP1 . 5IU A 1 10 ? 5.213 22.288 27.450 1.00 93.94 ? 21 5IU F OP1 1 HETATM 202 O OP2 . 5IU A 1 10 ? 4.535 24.222 25.882 1.00 92.27 ? 21 5IU F OP2 1 ATOM 203 P P . DA A 1 11 ? 11.568 23.797 27.438 1.00 83.13 ? 22 DA F P 1 ATOM 204 O OP1 . DA A 1 11 ? 10.821 22.730 28.167 1.00 83.29 ? 22 DA F OP1 1 ATOM 205 O OP2 . DA A 1 11 ? 11.688 25.158 28.030 1.00 87.63 ? 22 DA F OP2 1 ATOM 206 O "O5'" . DA A 1 11 ? 13.032 23.252 27.227 1.00 77.83 ? 22 DA F "O5'" 1 ATOM 207 C "C5'" . DA A 1 11 ? 13.234 21.960 26.700 1.00 72.38 ? 22 DA F "C5'" 1 ATOM 208 C "C4'" . DA A 1 11 ? 14.259 22.017 25.596 1.00 66.87 ? 22 DA F "C4'" 1 ATOM 209 O "O4'" . DA A 1 11 ? 13.789 22.881 24.542 1.00 67.18 ? 22 DA F "O4'" 1 ATOM 210 C "C3'" . DA A 1 11 ? 15.632 22.549 25.979 1.00 64.67 ? 22 DA F "C3'" 1 ATOM 211 O "O3'" . DA A 1 11 ? 16.539 21.779 25.212 1.00 63.77 ? 22 DA F "O3'" 1 ATOM 212 C "C2'" . DA A 1 11 ? 15.577 24.009 25.548 1.00 62.05 ? 22 DA F "C2'" 1 ATOM 213 C "C1'" . DA A 1 11 ? 14.680 23.956 24.330 1.00 64.09 ? 22 DA F "C1'" 1 ATOM 214 N N9 . DA A 1 11 ? 13.843 25.123 24.079 1.00 66.18 ? 22 DA F N9 1 ATOM 215 C C8 . DA A 1 11 ? 13.047 25.812 24.956 1.00 65.58 ? 22 DA F C8 1 ATOM 216 N N7 . DA A 1 11 ? 12.331 26.754 24.390 1.00 67.36 ? 22 DA F N7 1 ATOM 217 C C5 . DA A 1 11 ? 12.703 26.696 23.053 1.00 69.09 ? 22 DA F C5 1 ATOM 218 C C6 . DA A 1 11 ? 12.302 27.431 21.917 1.00 71.11 ? 22 DA F C6 1 ATOM 219 N N6 . DA A 1 11 ? 11.399 28.412 21.952 1.00 70.55 ? 22 DA F N6 1 ATOM 220 N N1 . DA A 1 11 ? 12.871 27.113 20.725 1.00 71.64 ? 22 DA F N1 1 ATOM 221 C C2 . DA A 1 11 ? 13.772 26.121 20.689 1.00 70.45 ? 22 DA F C2 1 ATOM 222 N N3 . DA A 1 11 ? 14.228 25.364 21.686 1.00 71.14 ? 22 DA F N3 1 ATOM 223 C C4 . DA A 1 11 ? 13.648 25.707 22.852 1.00 68.18 ? 22 DA F C4 1 ATOM 224 P P . DG A 1 12 ? 18.115 21.970 25.376 1.00 62.00 ? 23 DG F P 1 ATOM 225 O OP1 . DG A 1 12 ? 18.740 20.618 25.501 1.00 59.53 ? 23 DG F OP1 1 ATOM 226 O OP2 . DG A 1 12 ? 18.383 23.023 26.390 1.00 58.40 ? 23 DG F OP2 1 ATOM 227 O "O5'" . DG A 1 12 ? 18.512 22.517 23.953 1.00 59.16 ? 23 DG F "O5'" 1 ATOM 228 C "C5'" . DG A 1 12 ? 19.342 23.623 23.850 1.00 64.39 ? 23 DG F "C5'" 1 ATOM 229 C "C4'" . DG A 1 12 ? 19.441 24.054 22.414 1.00 64.89 ? 23 DG F "C4'" 1 ATOM 230 O "O4'" . DG A 1 12 ? 18.228 24.738 22.021 1.00 66.04 ? 23 DG F "O4'" 1 ATOM 231 C "C3'" . DG A 1 12 ? 20.563 25.069 22.301 1.00 64.35 ? 23 DG F "C3'" 1 ATOM 232 O "O3'" . DG A 1 12 ? 21.352 24.861 21.154 1.00 60.67 ? 23 DG F "O3'" 1 ATOM 233 C "C2'" . DG A 1 12 ? 19.877 26.419 22.326 1.00 65.57 ? 23 DG F "C2'" 1 ATOM 234 C "C1'" . DG A 1 12 ? 18.479 26.136 21.815 1.00 67.26 ? 23 DG F "C1'" 1 ATOM 235 N N9 . DG A 1 12 ? 17.476 26.879 22.575 1.00 66.29 ? 23 DG F N9 1 ATOM 236 C C8 . DG A 1 12 ? 17.284 26.820 23.932 1.00 68.48 ? 23 DG F C8 1 ATOM 237 N N7 . DG A 1 12 ? 16.313 27.582 24.342 1.00 70.74 ? 23 DG F N7 1 ATOM 238 C C5 . DG A 1 12 ? 15.836 28.183 23.186 1.00 70.83 ? 23 DG F C5 1 ATOM 239 C C6 . DG A 1 12 ? 14.785 29.109 23.013 1.00 71.39 ? 23 DG F C6 1 ATOM 240 O O6 . DG A 1 12 ? 14.035 29.593 23.878 1.00 71.90 ? 23 DG F O6 1 ATOM 241 N N1 . DG A 1 12 ? 14.630 29.461 21.675 1.00 68.14 ? 23 DG F N1 1 ATOM 242 C C2 . DG A 1 12 ? 15.388 28.979 20.639 1.00 68.12 ? 23 DG F C2 1 ATOM 243 N N2 . DG A 1 12 ? 15.069 29.420 19.419 1.00 65.63 ? 23 DG F N2 1 ATOM 244 N N3 . DG A 1 12 ? 16.382 28.119 20.791 1.00 69.57 ? 23 DG F N3 1 ATOM 245 C C4 . DG A 1 12 ? 16.548 27.762 22.084 1.00 68.24 ? 23 DG F C4 1 ATOM 246 P P . DT A 1 13 ? 22.503 25.900 20.862 1.00 67.82 ? 24 DT F P 1 ATOM 247 O OP1 . DT A 1 13 ? 23.339 25.543 19.677 1.00 62.61 ? 24 DT F OP1 1 ATOM 248 O OP2 . DT A 1 13 ? 23.133 26.148 22.198 1.00 60.65 ? 24 DT F OP2 1 ATOM 249 O "O5'" . DT A 1 13 ? 21.654 27.160 20.435 1.00 64.94 ? 24 DT F "O5'" 1 ATOM 250 C "C5'" . DT A 1 13 ? 20.895 27.121 19.251 1.00 65.23 ? 24 DT F "C5'" 1 ATOM 251 C "C4'" . DT A 1 13 ? 20.573 28.522 18.809 1.00 69.10 ? 24 DT F "C4'" 1 ATOM 252 O "O4'" . DT A 1 13 ? 19.396 28.946 19.539 1.00 68.53 ? 24 DT F "O4'" 1 ATOM 253 C "C3'" . DT A 1 13 ? 21.681 29.524 19.134 1.00 68.56 ? 24 DT F "C3'" 1 ATOM 254 O "O3'" . DT A 1 13 ? 22.245 30.119 17.985 1.00 68.23 ? 24 DT F "O3'" 1 ATOM 255 C "C2'" . DT A 1 13 ? 21.021 30.569 20.018 1.00 68.89 ? 24 DT F "C2'" 1 ATOM 256 C "C1'" . DT A 1 13 ? 19.524 30.294 19.934 1.00 68.84 ? 24 DT F "C1'" 1 ATOM 257 N N1 . DT A 1 13 ? 18.843 30.441 21.247 1.00 67.33 ? 24 DT F N1 1 ATOM 258 C C2 . DT A 1 13 ? 17.677 31.186 21.333 1.00 66.49 ? 24 DT F C2 1 ATOM 259 O O2 . DT A 1 13 ? 17.159 31.744 20.362 1.00 63.85 ? 24 DT F O2 1 ATOM 260 N N3 . DT A 1 13 ? 17.145 31.265 22.613 1.00 62.36 ? 24 DT F N3 1 ATOM 261 C C4 . DT A 1 13 ? 17.666 30.704 23.779 1.00 57.72 ? 24 DT F C4 1 ATOM 262 O O4 . DT A 1 13 ? 17.083 30.855 24.864 1.00 48.42 ? 24 DT F O4 1 ATOM 263 C C5 . DT A 1 13 ? 18.895 29.959 23.598 1.00 59.64 ? 24 DT F C5 1 ATOM 264 C C7 . DT A 1 13 ? 19.564 29.354 24.786 1.00 57.79 ? 24 DT F C7 1 ATOM 265 C C6 . DT A 1 13 ? 19.395 29.850 22.365 1.00 62.48 ? 24 DT F C6 1 ATOM 266 P P . DA A 1 14 ? 23.384 31.235 18.159 1.00 70.26 ? 25 DA F P 1 ATOM 267 O OP1 . DA A 1 14 ? 24.045 31.409 16.816 1.00 61.20 ? 25 DA F OP1 1 ATOM 268 O OP2 . DA A 1 14 ? 24.214 30.962 19.366 1.00 67.90 ? 25 DA F OP2 1 ATOM 269 O "O5'" . DA A 1 14 ? 22.503 32.514 18.493 1.00 71.50 ? 25 DA F "O5'" 1 ATOM 270 C "C5'" . DA A 1 14 ? 21.479 32.917 17.595 1.00 69.51 ? 25 DA F "C5'" 1 ATOM 271 C "C4'" . DA A 1 14 ? 20.987 34.299 17.929 1.00 70.14 ? 25 DA F "C4'" 1 ATOM 272 O "O4'" . DA A 1 14 ? 20.023 34.214 19.004 1.00 72.42 ? 25 DA F "O4'" 1 ATOM 273 C "C3'" . DA A 1 14 ? 22.045 35.306 18.369 1.00 71.66 ? 25 DA F "C3'" 1 ATOM 274 O "O3'" . DA A 1 14 ? 21.878 36.514 17.623 1.00 72.24 ? 25 DA F "O3'" 1 ATOM 275 C "C2'" . DA A 1 14 ? 21.760 35.491 19.858 1.00 71.06 ? 25 DA F "C2'" 1 ATOM 276 C "C1'" . DA A 1 14 ? 20.267 35.223 19.957 1.00 70.41 ? 25 DA F "C1'" 1 ATOM 277 N N9 . DA A 1 14 ? 19.774 34.731 21.246 1.00 70.73 ? 25 DA F N9 1 ATOM 278 C C8 . DA A 1 14 ? 20.259 33.681 21.986 1.00 73.63 ? 25 DA F C8 1 ATOM 279 N N7 . DA A 1 14 ? 19.581 33.447 23.089 1.00 74.04 ? 25 DA F N7 1 ATOM 280 C C5 . DA A 1 14 ? 18.588 34.415 23.081 1.00 73.82 ? 25 DA F C5 1 ATOM 281 C C6 . DA A 1 14 ? 17.532 34.707 23.985 1.00 75.14 ? 25 DA F C6 1 ATOM 282 N N6 . DA A 1 14 ? 17.305 34.026 25.118 1.00 75.00 ? 25 DA F N6 1 ATOM 283 N N1 . DA A 1 14 ? 16.714 35.738 23.679 1.00 73.71 ? 25 DA F N1 1 ATOM 284 C C2 . DA A 1 14 ? 16.948 36.425 22.551 1.00 73.31 ? 25 DA F C2 1 ATOM 285 N N3 . DA A 1 14 ? 17.907 36.255 21.631 1.00 70.93 ? 25 DA F N3 1 ATOM 286 C C4 . DA A 1 14 ? 18.700 35.220 21.955 1.00 71.80 ? 25 DA F C4 1 ATOM 287 P P . DT A 1 15 ? 22.994 37.680 17.706 1.00 76.50 ? 26 DT F P 1 ATOM 288 O OP1 . DT A 1 15 ? 23.149 38.247 16.340 1.00 75.66 ? 26 DT F OP1 1 ATOM 289 O OP2 . DT A 1 15 ? 24.206 37.264 18.468 1.00 69.15 ? 26 DT F OP2 1 ATOM 290 O "O5'" . DT A 1 15 ? 22.266 38.786 18.572 1.00 72.25 ? 26 DT F "O5'" 1 ATOM 291 C "C5'" . DT A 1 15 ? 21.423 38.407 19.622 1.00 73.22 ? 26 DT F "C5'" 1 ATOM 292 C "C4'" . DT A 1 15 ? 20.668 39.607 20.104 1.00 79.09 ? 26 DT F "C4'" 1 ATOM 293 O "O4'" . DT A 1 15 ? 19.745 39.170 21.119 1.00 81.73 ? 26 DT F "O4'" 1 ATOM 294 C "C3'" . DT A 1 15 ? 21.571 40.650 20.738 1.00 82.87 ? 26 DT F "C3'" 1 ATOM 295 O "O3'" . DT A 1 15 ? 21.203 41.953 20.300 1.00 88.51 ? 26 DT F "O3'" 1 ATOM 296 C "C2'" . DT A 1 15 ? 21.387 40.440 22.231 1.00 84.99 ? 26 DT F "C2'" 1 ATOM 297 C "C1'" . DT A 1 15 ? 20.038 39.750 22.364 1.00 82.87 ? 26 DT F "C1'" 1 ATOM 298 N N1 . DT A 1 15 ? 20.028 38.661 23.354 1.00 82.40 ? 26 DT F N1 1 ATOM 299 C C2 . DT A 1 15 ? 18.870 38.453 24.049 1.00 82.28 ? 26 DT F C2 1 ATOM 300 O O2 . DT A 1 15 ? 17.850 39.081 23.836 1.00 81.52 ? 26 DT F O2 1 ATOM 301 N N3 . DT A 1 15 ? 18.945 37.480 25.010 1.00 84.58 ? 26 DT F N3 1 ATOM 302 C C4 . DT A 1 15 ? 20.044 36.708 25.338 1.00 88.35 ? 26 DT F C4 1 ATOM 303 O O4 . DT A 1 15 ? 19.970 35.896 26.266 1.00 89.78 ? 26 DT F O4 1 ATOM 304 C C5 . DT A 1 15 ? 21.226 36.955 24.534 1.00 88.24 ? 26 DT F C5 1 ATOM 305 C C7 . DT A 1 15 ? 22.469 36.166 24.800 1.00 91.81 ? 26 DT F C7 1 ATOM 306 C C6 . DT A 1 15 ? 21.153 37.895 23.587 1.00 85.28 ? 26 DT F C6 1 ATOM 307 P P . DA A 1 16 ? 21.770 43.234 21.069 1.00 93.08 ? 27 DA F P 1 ATOM 308 O OP1 . DA A 1 16 ? 21.481 44.374 20.182 1.00 94.77 ? 27 DA F OP1 1 ATOM 309 O OP2 . DA A 1 16 ? 23.162 42.976 21.514 1.00 95.63 ? 27 DA F OP2 1 ATOM 310 O "O5'" . DA A 1 16 ? 20.840 43.335 22.356 1.00 96.39 ? 27 DA F "O5'" 1 ATOM 311 C "C5'" . DA A 1 16 ? 19.451 43.648 22.224 1.00 100.73 ? 27 DA F "C5'" 1 ATOM 312 C "C4'" . DA A 1 16 ? 18.894 44.115 23.549 1.00 102.22 ? 27 DA F "C4'" 1 ATOM 313 O "O4'" . DA A 1 16 ? 18.740 42.985 24.438 1.00 103.54 ? 27 DA F "O4'" 1 ATOM 314 C "C3'" . DA A 1 16 ? 19.829 45.085 24.266 1.00 102.83 ? 27 DA F "C3'" 1 ATOM 315 O "O3'" . DA A 1 16 ? 19.114 46.056 25.020 1.00 102.33 ? 27 DA F "O3'" 1 ATOM 316 C "C2'" . DA A 1 16 ? 20.576 44.187 25.221 1.00 103.46 ? 27 DA F "C2'" 1 ATOM 317 C "C1'" . DA A 1 16 ? 19.494 43.207 25.609 1.00 101.81 ? 27 DA F "C1'" 1 ATOM 318 N N9 . DA A 1 16 ? 20.033 41.930 26.053 1.00 100.11 ? 27 DA F N9 1 ATOM 319 C C8 . DA A 1 16 ? 20.984 41.141 25.454 1.00 99.80 ? 27 DA F C8 1 ATOM 320 N N7 . DA A 1 16 ? 21.310 40.082 26.159 1.00 100.00 ? 27 DA F N7 1 ATOM 321 C C5 . DA A 1 16 ? 20.503 40.173 27.284 1.00 99.79 ? 27 DA F C5 1 ATOM 322 C C6 . DA A 1 16 ? 20.372 39.363 28.421 1.00 100.94 ? 27 DA F C6 1 ATOM 323 N N6 . DA A 1 16 ? 21.083 38.246 28.622 1.00 101.38 ? 27 DA F N6 1 ATOM 324 N N1 . DA A 1 16 ? 19.474 39.743 29.359 1.00 99.08 ? 27 DA F N1 1 ATOM 325 C C2 . DA A 1 16 ? 18.762 40.859 29.154 1.00 95.62 ? 27 DA F C2 1 ATOM 326 N N3 . DA A 1 16 ? 18.797 41.700 28.130 1.00 94.58 ? 27 DA F N3 1 ATOM 327 C C4 . DA A 1 16 ? 19.699 41.298 27.222 1.00 98.20 ? 27 DA F C4 1 ATOM 328 P P . DT A 1 17 ? 19.883 47.369 25.533 1.00 102.97 ? 28 DT F P 1 ATOM 329 O OP1 . DT A 1 17 ? 19.465 48.508 24.678 1.00 100.90 ? 28 DT F OP1 1 ATOM 330 O OP2 . DT A 1 17 ? 21.332 47.055 25.686 1.00 102.89 ? 28 DT F OP2 1 ATOM 331 O "O5'" . DT A 1 17 ? 19.292 47.595 26.984 1.00 99.77 ? 28 DT F "O5'" 1 ATOM 332 C "C5'" . DT A 1 17 ? 17.910 47.408 27.229 1.00 99.12 ? 28 DT F "C5'" 1 ATOM 333 C "C4'" . DT A 1 17 ? 17.708 47.048 28.677 1.00 97.17 ? 28 DT F "C4'" 1 ATOM 334 O "O4'" . DT A 1 17 ? 18.284 45.743 28.910 1.00 96.83 ? 28 DT F "O4'" 1 ATOM 335 C "C3'" . DT A 1 17 ? 18.435 48.003 29.618 1.00 98.15 ? 28 DT F "C3'" 1 ATOM 336 O "O3'" . DT A 1 17 ? 17.628 48.234 30.776 1.00 100.79 ? 28 DT F "O3'" 1 ATOM 337 C "C2'" . DT A 1 17 ? 19.722 47.260 29.947 1.00 95.23 ? 28 DT F "C2'" 1 ATOM 338 C "C1'" . DT A 1 17 ? 19.249 45.819 29.945 1.00 92.93 ? 28 DT F "C1'" 1 ATOM 339 N N1 . DT A 1 17 ? 20.266 44.765 29.707 1.00 89.36 ? 28 DT F N1 1 ATOM 340 C C2 . DT A 1 17 ? 20.257 43.672 30.545 1.00 88.92 ? 28 DT F C2 1 ATOM 341 O O2 . DT A 1 17 ? 19.460 43.529 31.468 1.00 91.32 ? 28 DT F O2 1 ATOM 342 N N3 . DT A 1 17 ? 21.215 42.732 30.265 1.00 87.96 ? 28 DT F N3 1 ATOM 343 C C4 . DT A 1 17 ? 22.143 42.761 29.250 1.00 86.16 ? 28 DT F C4 1 ATOM 344 O O4 . DT A 1 17 ? 22.937 41.830 29.120 1.00 86.35 ? 28 DT F O4 1 ATOM 345 C C5 . DT A 1 17 ? 22.090 43.921 28.408 1.00 84.86 ? 28 DT F C5 1 ATOM 346 C C7 . DT A 1 17 ? 23.043 44.023 27.261 1.00 86.04 ? 28 DT F C7 1 ATOM 347 C C6 . DT A 1 17 ? 21.176 44.860 28.680 1.00 86.69 ? 28 DT F C6 1 ATOM 348 P P . DA A 1 18 ? 17.984 49.445 31.767 1.00 100.82 ? 29 DA F P 1 ATOM 349 O OP1 . DA A 1 18 ? 16.710 50.012 32.283 1.00 102.06 ? 29 DA F OP1 1 ATOM 350 O OP2 . DA A 1 18 ? 18.995 50.329 31.118 1.00 101.02 ? 29 DA F OP2 1 ATOM 351 O "O5'" . DA A 1 18 ? 18.668 48.721 32.995 1.00 100.41 ? 29 DA F "O5'" 1 ATOM 352 C "C5'" . DA A 1 18 ? 17.921 47.823 33.793 1.00 101.51 ? 29 DA F "C5'" 1 ATOM 353 C "C4'" . DA A 1 18 ? 18.826 47.190 34.816 1.00 102.22 ? 29 DA F "C4'" 1 ATOM 354 O "O4'" . DA A 1 18 ? 19.695 46.203 34.204 1.00 100.57 ? 29 DA F "O4'" 1 ATOM 355 C "C3'" . DA A 1 18 ? 19.746 48.207 35.483 1.00 103.35 ? 29 DA F "C3'" 1 ATOM 356 O "O3'" . DA A 1 18 ? 19.817 47.912 36.861 1.00 105.59 ? 29 DA F "O3'" 1 ATOM 357 C "C2'" . DA A 1 18 ? 21.095 47.944 34.835 1.00 102.91 ? 29 DA F "C2'" 1 ATOM 358 C "C1'" . DA A 1 18 ? 21.023 46.445 34.628 1.00 97.55 ? 29 DA F "C1'" 1 ATOM 359 N N9 . DA A 1 18 ? 21.939 45.880 33.638 1.00 92.38 ? 29 DA F N9 1 ATOM 360 C C8 . DA A 1 18 ? 22.370 46.419 32.455 1.00 91.72 ? 29 DA F C8 1 ATOM 361 N N7 . DA A 1 18 ? 23.220 45.661 31.805 1.00 91.42 ? 29 DA F N7 1 ATOM 362 C C5 . DA A 1 18 ? 23.354 44.543 32.616 1.00 93.86 ? 29 DA F C5 1 ATOM 363 C C6 . DA A 1 18 ? 24.122 43.362 32.497 1.00 94.03 ? 29 DA F C6 1 ATOM 364 N N6 . DA A 1 18 ? 24.955 43.119 31.480 1.00 96.60 ? 29 DA F N6 1 ATOM 365 N N1 . DA A 1 18 ? 24.007 42.435 33.479 1.00 92.65 ? 29 DA F N1 1 ATOM 366 C C2 . DA A 1 18 ? 23.190 42.686 34.505 1.00 90.21 ? 29 DA F C2 1 ATOM 367 N N3 . DA A 1 18 ? 22.431 43.756 34.733 1.00 91.37 ? 29 DA F N3 1 ATOM 368 C C4 . DA A 1 18 ? 22.560 44.659 33.741 1.00 92.51 ? 29 DA F C4 1 ATOM 369 P P . DC A 1 19 ? 19.834 49.101 37.920 1.00 105.47 ? 30 DC F P 1 ATOM 370 O OP1 . DC A 1 19 ? 18.432 49.554 38.073 1.00 104.58 ? 30 DC F OP1 1 ATOM 371 O OP2 . DC A 1 19 ? 20.894 50.069 37.521 1.00 104.26 ? 30 DC F OP2 1 ATOM 372 O "O5'" . DC A 1 19 ? 20.267 48.351 39.250 1.00 104.84 ? 30 DC F "O5'" 1 ATOM 373 C "C5'" . DC A 1 19 ? 19.665 47.102 39.595 1.00 104.47 ? 30 DC F "C5'" 1 ATOM 374 C "C4'" . DC A 1 19 ? 20.713 46.129 40.086 1.00 102.86 ? 30 DC F "C4'" 1 ATOM 375 O "O4'" . DC A 1 19 ? 21.420 45.505 38.981 1.00 101.38 ? 30 DC F "O4'" 1 ATOM 376 C "C3'" . DC A 1 19 ? 21.778 46.782 40.964 1.00 103.27 ? 30 DC F "C3'" 1 ATOM 377 O "O3'" . DC A 1 19 ? 21.959 46.075 42.176 1.00 102.68 ? 30 DC F "O3'" 1 ATOM 378 C "C2'" . DC A 1 19 ? 23.044 46.719 40.131 1.00 100.97 ? 30 DC F "C2'" 1 ATOM 379 C "C1'" . DC A 1 19 ? 22.812 45.508 39.253 1.00 98.63 ? 30 DC F "C1'" 1 ATOM 380 N N1 . DC A 1 19 ? 23.548 45.566 37.972 1.00 94.57 ? 30 DC F N1 1 ATOM 381 C C2 . DC A 1 19 ? 24.345 44.468 37.593 1.00 89.58 ? 30 DC F C2 1 ATOM 382 O O2 . DC A 1 19 ? 24.347 43.452 38.303 1.00 87.36 ? 30 DC F O2 1 ATOM 383 N N3 . DC A 1 19 ? 25.086 44.547 36.458 1.00 87.13 ? 30 DC F N3 1 ATOM 384 C C4 . DC A 1 19 ? 25.041 45.657 35.708 1.00 88.14 ? 30 DC F C4 1 ATOM 385 N N4 . DC A 1 19 ? 25.809 45.719 34.613 1.00 82.80 ? 30 DC F N4 1 ATOM 386 C C5 . DC A 1 19 ? 24.208 46.766 36.050 1.00 89.54 ? 30 DC F C5 1 ATOM 387 C C6 . DC A 1 19 ? 23.484 46.678 37.176 1.00 91.07 ? 30 DC F C6 1 ATOM 388 P P . DT A 1 20 ? 22.804 46.753 43.357 1.00 103.84 ? 31 DT F P 1 ATOM 389 O OP1 . DT A 1 20 ? 21.866 46.980 44.488 1.00 102.93 ? 31 DT F OP1 1 ATOM 390 O OP2 . DT A 1 20 ? 23.604 47.892 42.817 1.00 100.93 ? 31 DT F OP2 1 ATOM 391 O "O5'" . DT A 1 20 ? 23.826 45.601 43.726 1.00 100.04 ? 31 DT F "O5'" 1 ATOM 392 C "C5'" . DT A 1 20 ? 24.425 44.860 42.684 1.00 98.80 ? 31 DT F "C5'" 1 ATOM 393 C "C4'" . DT A 1 20 ? 25.340 43.808 43.247 1.00 98.55 ? 31 DT F "C4'" 1 ATOM 394 O "O4'" . DT A 1 20 ? 26.051 43.289 42.102 1.00 96.46 ? 31 DT F "O4'" 1 ATOM 395 C "C3'" . DT A 1 20 ? 26.403 44.377 44.182 1.00 98.96 ? 31 DT F "C3'" 1 ATOM 396 O "O3'" . DT A 1 20 ? 26.910 43.446 45.146 1.00 102.36 ? 31 DT F "O3'" 1 ATOM 397 C "C2'" . DT A 1 20 ? 27.508 44.799 43.229 1.00 98.88 ? 31 DT F "C2'" 1 ATOM 398 C "C1'" . DT A 1 20 ? 27.338 43.880 42.011 1.00 94.25 ? 31 DT F "C1'" 1 ATOM 399 N N1 . DT A 1 20 ? 27.425 44.595 40.709 1.00 86.97 ? 31 DT F N1 1 ATOM 400 C C2 . DT A 1 20 ? 28.167 44.020 39.714 1.00 85.54 ? 31 DT F C2 1 ATOM 401 O O2 . DT A 1 20 ? 28.636 42.893 39.793 1.00 83.40 ? 31 DT F O2 1 ATOM 402 N N3 . DT A 1 20 ? 28.325 44.804 38.597 1.00 84.27 ? 31 DT F N3 1 ATOM 403 C C4 . DT A 1 20 ? 27.796 46.055 38.369 1.00 83.93 ? 31 DT F C4 1 ATOM 404 O O4 . DT A 1 20 ? 28.070 46.665 37.329 1.00 82.86 ? 31 DT F O4 1 ATOM 405 C C5 . DT A 1 20 ? 26.951 46.552 39.416 1.00 83.81 ? 31 DT F C5 1 ATOM 406 C C7 . DT A 1 20 ? 26.259 47.861 39.222 1.00 85.97 ? 31 DT F C7 1 ATOM 407 C C6 . DT A 1 20 ? 26.817 45.816 40.522 1.00 82.74 ? 31 DT F C6 1 ATOM 408 N N . LYS B 2 23 ? 12.428 23.546 37.773 1.00 70.19 ? 4 LYS A N 1 ATOM 409 C CA . LYS B 2 23 ? 13.618 24.436 37.967 1.00 71.29 ? 4 LYS A CA 1 ATOM 410 C C . LYS B 2 23 ? 14.526 24.569 36.732 1.00 72.11 ? 4 LYS A C 1 ATOM 411 O O . LYS B 2 23 ? 14.515 23.726 35.823 1.00 71.93 ? 4 LYS A O 1 ATOM 412 C CB . LYS B 2 23 ? 14.475 23.944 39.138 1.00 71.30 ? 4 LYS A CB 1 ATOM 413 C CG . LYS B 2 23 ? 13.803 23.976 40.501 1.00 73.16 ? 4 LYS A CG 1 ATOM 414 C CD . LYS B 2 23 ? 13.704 22.511 41.033 1.00 75.69 ? 4 LYS A CD 1 ATOM 415 C CE . LYS B 2 23 ? 14.066 22.422 42.538 1.00 70.42 ? 4 LYS A CE 1 ATOM 416 N NZ . LYS B 2 23 ? 15.561 22.294 42.769 1.00 67.71 ? 4 LYS A NZ 1 ATOM 417 N N . GLU B 2 24 ? 15.341 25.619 36.743 1.00 70.47 ? 5 GLU A N 1 ATOM 418 C CA . GLU B 2 24 ? 16.248 25.893 35.653 1.00 67.98 ? 5 GLU A CA 1 ATOM 419 C C . GLU B 2 24 ? 17.261 26.886 36.129 1.00 66.89 ? 5 GLU A C 1 ATOM 420 O O . GLU B 2 24 ? 16.947 27.778 36.925 1.00 66.97 ? 5 GLU A O 1 ATOM 421 C CB . GLU B 2 24 ? 15.496 26.534 34.502 1.00 69.77 ? 5 GLU A CB 1 ATOM 422 C CG . GLU B 2 24 ? 15.341 25.662 33.308 1.00 74.51 ? 5 GLU A CG 1 ATOM 423 C CD . GLU B 2 24 ? 13.962 25.843 32.692 1.00 80.52 ? 5 GLU A CD 1 ATOM 424 O OE1 . GLU B 2 24 ? 12.944 25.469 33.353 1.00 84.92 ? 5 GLU A OE1 1 ATOM 425 O OE2 . GLU B 2 24 ? 13.900 26.377 31.556 1.00 85.27 ? 5 GLU A OE2 1 ATOM 426 N N . THR B 2 25 ? 18.484 26.735 35.658 1.00 62.20 ? 6 THR A N 1 ATOM 427 C CA . THR B 2 25 ? 19.477 27.705 36.014 1.00 61.11 ? 6 THR A CA 1 ATOM 428 C C . THR B 2 25 ? 19.778 28.366 34.682 1.00 63.60 ? 6 THR A C 1 ATOM 429 O O . THR B 2 25 ? 19.961 27.687 33.663 1.00 64.67 ? 6 THR A O 1 ATOM 430 C CB . THR B 2 25 ? 20.698 27.025 36.594 1.00 59.11 ? 6 THR A CB 1 ATOM 431 O OG1 . THR B 2 25 ? 20.278 26.222 37.692 1.00 56.26 ? 6 THR A OG1 1 ATOM 432 C CG2 . THR B 2 25 ? 21.716 28.039 37.086 1.00 57.46 ? 6 THR A CG2 1 ATOM 433 N N . LYS B 2 26 ? 19.759 29.692 34.669 1.00 65.23 ? 7 LYS A N 1 ATOM 434 C CA . LYS B 2 26 ? 20.061 30.424 33.453 1.00 65.51 ? 7 LYS A CA 1 ATOM 435 C C . LYS B 2 26 ? 21.346 31.139 33.829 1.00 67.50 ? 7 LYS A C 1 ATOM 436 O O . LYS B 2 26 ? 21.484 31.612 34.956 1.00 68.69 ? 7 LYS A O 1 ATOM 437 C CB . LYS B 2 26 ? 18.967 31.451 33.153 1.00 66.76 ? 7 LYS A CB 1 ATOM 438 C CG . LYS B 2 26 ? 17.548 31.073 33.616 1.00 67.52 ? 7 LYS A CG 1 ATOM 439 C CD . LYS B 2 26 ? 16.770 30.150 32.642 1.00 65.94 ? 7 LYS A CD 1 ATOM 440 C CE . LYS B 2 26 ? 15.342 29.866 33.164 1.00 62.72 ? 7 LYS A CE 1 ATOM 441 N NZ . LYS B 2 26 ? 14.347 29.521 32.111 1.00 55.85 ? 7 LYS A NZ 1 ATOM 442 N N . HIS B 2 27 ? 22.296 31.181 32.908 1.00 67.77 ? 8 HIS A N 1 ATOM 443 C CA . HIS B 2 27 ? 23.567 31.845 33.129 1.00 64.81 ? 8 HIS A CA 1 ATOM 444 C C . HIS B 2 27 ? 24.077 32.189 31.753 1.00 63.31 ? 8 HIS A C 1 ATOM 445 O O . HIS B 2 27 ? 24.173 31.321 30.876 1.00 65.36 ? 8 HIS A O 1 ATOM 446 C CB . HIS B 2 27 ? 24.554 30.903 33.810 1.00 66.24 ? 8 HIS A CB 1 ATOM 447 C CG . HIS B 2 27 ? 25.913 31.505 34.016 1.00 71.48 ? 8 HIS A CG 1 ATOM 448 N ND1 . HIS B 2 27 ? 26.238 32.256 35.133 1.00 70.37 ? 8 HIS A ND1 1 ATOM 449 C CD2 . HIS B 2 27 ? 27.024 31.484 33.243 1.00 71.57 ? 8 HIS A CD2 1 ATOM 450 C CE1 . HIS B 2 27 ? 27.491 32.661 35.032 1.00 72.70 ? 8 HIS A CE1 1 ATOM 451 N NE2 . HIS B 2 27 ? 27.992 32.208 33.898 1.00 72.76 ? 8 HIS A NE2 1 ATOM 452 N N . LEU B 2 28 ? 24.357 33.452 31.505 1.00 62.41 ? 9 LEU A N 1 ATOM 453 C CA . LEU B 2 28 ? 24.881 33.724 30.181 1.00 64.81 ? 9 LEU A CA 1 ATOM 454 C C . LEU B 2 28 ? 26.351 33.944 30.366 1.00 64.49 ? 9 LEU A C 1 ATOM 455 O O . LEU B 2 28 ? 26.765 34.686 31.265 1.00 65.42 ? 9 LEU A O 1 ATOM 456 C CB . LEU B 2 28 ? 24.245 34.957 29.512 1.00 61.76 ? 9 LEU A CB 1 ATOM 457 C CG . LEU B 2 28 ? 24.804 36.311 29.896 1.00 54.77 ? 9 LEU A CG 1 ATOM 458 C CD1 . LEU B 2 28 ? 24.166 37.393 29.064 1.00 49.23 ? 9 LEU A CD1 1 ATOM 459 C CD2 . LEU B 2 28 ? 24.552 36.490 31.383 1.00 51.42 ? 9 LEU A CD2 1 ATOM 460 N N . LEU B 2 29 ? 27.147 33.265 29.555 1.00 60.12 ? 10 LEU A N 1 ATOM 461 C CA . LEU B 2 29 ? 28.559 33.468 29.687 1.00 61.33 ? 10 LEU A CA 1 ATOM 462 C C . LEU B 2 29 ? 29.070 34.201 28.501 1.00 61.49 ? 10 LEU A C 1 ATOM 463 O O . LEU B 2 29 ? 28.456 34.212 27.438 1.00 62.61 ? 10 LEU A O 1 ATOM 464 C CB . LEU B 2 29 ? 29.321 32.163 29.818 1.00 56.29 ? 10 LEU A CB 1 ATOM 465 C CG . LEU B 2 29 ? 28.915 31.024 28.926 1.00 48.38 ? 10 LEU A CG 1 ATOM 466 C CD1 . LEU B 2 29 ? 30.096 30.155 28.605 1.00 40.61 ? 10 LEU A CD1 1 ATOM 467 C CD2 . LEU B 2 29 ? 27.847 30.271 29.674 1.00 54.06 ? 10 LEU A CD2 1 ATOM 468 N N . LYS B 2 30 ? 30.221 34.810 28.689 1.00 60.63 ? 11 LYS A N 1 ATOM 469 C CA . LYS B 2 30 ? 30.816 35.557 27.631 1.00 60.78 ? 11 LYS A CA 1 ATOM 470 C C . LYS B 2 30 ? 32.260 35.130 27.648 1.00 61.63 ? 11 LYS A C 1 ATOM 471 O O . LYS B 2 30 ? 32.902 35.144 28.708 1.00 62.79 ? 11 LYS A O 1 ATOM 472 C CB . LYS B 2 30 ? 30.688 37.053 27.944 1.00 63.49 ? 11 LYS A CB 1 ATOM 473 C CG . LYS B 2 30 ? 29.510 37.433 28.842 1.00 64.88 ? 11 LYS A CG 1 ATOM 474 C CD . LYS B 2 30 ? 29.092 38.886 28.592 1.00 67.80 ? 11 LYS A CD 1 ATOM 475 C CE . LYS B 2 30 ? 27.831 39.242 29.384 1.00 71.35 ? 11 LYS A CE 1 ATOM 476 N NZ . LYS B 2 30 ? 27.209 40.546 28.948 1.00 71.84 ? 11 LYS A NZ 1 ATOM 477 N N . ILE B 2 31 ? 32.771 34.696 26.504 1.00 61.66 ? 12 ILE A N 1 ATOM 478 C CA . ILE B 2 31 ? 34.180 34.322 26.453 1.00 61.42 ? 12 ILE A CA 1 ATOM 479 C C . ILE B 2 31 ? 34.783 35.319 25.492 1.00 64.02 ? 12 ILE A C 1 ATOM 480 O O . ILE B 2 31 ? 34.245 35.531 24.387 1.00 62.55 ? 12 ILE A O 1 ATOM 481 C CB . ILE B 2 31 ? 34.417 32.838 25.967 1.00 54.27 ? 12 ILE A CB 1 ATOM 482 C CG1 . ILE B 2 31 ? 34.115 31.808 27.083 1.00 47.31 ? 12 ILE A CG1 1 ATOM 483 C CG2 . ILE B 2 31 ? 35.884 32.655 25.591 1.00 53.14 ? 12 ILE A CG2 1 ATOM 484 C CD1 . ILE B 2 31 ? 32.739 31.966 27.773 1.00 45.66 ? 12 ILE A CD1 1 ATOM 485 N N . LYS B 2 32 ? 35.861 35.962 25.927 1.00 68.12 ? 13 LYS A N 1 ATOM 486 C CA . LYS B 2 32 ? 36.471 36.943 25.072 1.00 74.93 ? 13 LYS A CA 1 ATOM 487 C C . LYS B 2 32 ? 37.578 36.389 24.214 1.00 80.23 ? 13 LYS A C 1 ATOM 488 O O . LYS B 2 32 ? 38.524 35.766 24.703 1.00 83.16 ? 13 LYS A O 1 ATOM 489 C CB . LYS B 2 32 ? 37.000 38.088 25.888 1.00 76.64 ? 13 LYS A CB 1 ATOM 490 C CG . LYS B 2 32 ? 36.271 39.379 25.592 1.00 78.93 ? 13 LYS A CG 1 ATOM 491 C CD . LYS B 2 32 ? 36.631 40.432 26.617 1.00 79.77 ? 13 LYS A CD 1 ATOM 492 C CE . LYS B 2 32 ? 36.187 39.998 27.988 1.00 81.74 ? 13 LYS A CE 1 ATOM 493 N NZ . LYS B 2 32 ? 36.834 40.787 29.039 1.00 85.05 ? 13 LYS A NZ 1 ATOM 494 N N . LYS B 2 33 ? 37.421 36.604 22.917 1.00 83.25 ? 14 LYS A N 1 ATOM 495 C CA . LYS B 2 33 ? 38.376 36.194 21.903 1.00 86.57 ? 14 LYS A CA 1 ATOM 496 C C . LYS B 2 33 ? 39.836 36.250 22.400 1.00 90.84 ? 14 LYS A C 1 ATOM 497 O O . LYS B 2 33 ? 40.582 35.267 22.326 1.00 92.39 ? 14 LYS A O 1 ATOM 498 C CB . LYS B 2 33 ? 38.188 37.134 20.709 1.00 84.65 ? 14 LYS A CB 1 ATOM 499 C CG . LYS B 2 33 ? 39.054 36.870 19.540 1.00 80.12 ? 14 LYS A CG 1 ATOM 500 C CD . LYS B 2 33 ? 38.703 35.567 18.952 1.00 84.56 ? 14 LYS A CD 1 ATOM 501 C CE . LYS B 2 33 ? 39.176 35.546 17.519 1.00 86.70 ? 14 LYS A CE 1 ATOM 502 N NZ . LYS B 2 33 ? 38.946 34.196 16.928 1.00 92.03 ? 14 LYS A NZ 1 ATOM 503 N N . GLU B 2 34 ? 40.211 37.406 22.941 1.00 94.50 ? 15 GLU A N 1 ATOM 504 C CA . GLU B 2 34 ? 41.568 37.661 23.397 1.00 97.05 ? 15 GLU A CA 1 ATOM 505 C C . GLU B 2 34 ? 42.040 36.893 24.615 1.00 97.13 ? 15 GLU A C 1 ATOM 506 O O . GLU B 2 34 ? 43.128 36.318 24.628 1.00 96.05 ? 15 GLU A O 1 ATOM 507 C CB . GLU B 2 34 ? 41.762 39.142 23.682 1.00 101.50 ? 15 GLU A CB 1 ATOM 508 C CG . GLU B 2 34 ? 43.261 39.495 23.837 1.00 110.46 ? 15 GLU A CG 1 ATOM 509 C CD . GLU B 2 34 ? 43.628 40.891 23.350 1.00 114.63 ? 15 GLU A CD 1 ATOM 510 O OE1 . GLU B 2 34 ? 42.841 41.836 23.571 1.00 115.14 ? 15 GLU A OE1 1 ATOM 511 O OE2 . GLU B 2 34 ? 44.716 41.043 22.754 1.00 119.10 ? 15 GLU A OE2 1 ATOM 512 N N . ASP B 2 35 ? 41.228 36.897 25.657 1.00 97.91 ? 16 ASP A N 1 ATOM 513 C CA . ASP B 2 35 ? 41.611 36.232 26.879 1.00 98.27 ? 16 ASP A CA 1 ATOM 514 C C . ASP B 2 35 ? 41.694 34.734 26.818 1.00 99.66 ? 16 ASP A C 1 ATOM 515 O O . ASP B 2 35 ? 42.616 34.153 27.366 1.00 101.34 ? 16 ASP A O 1 ATOM 516 C CB . ASP B 2 35 ? 40.702 36.706 27.997 1.00 96.54 ? 16 ASP A CB 1 ATOM 517 C CG . ASP B 2 35 ? 40.844 38.182 28.222 1.00 97.11 ? 16 ASP A CG 1 ATOM 518 O OD1 . ASP B 2 35 ? 41.979 38.617 28.505 1.00 96.97 ? 16 ASP A OD1 1 ATOM 519 O OD2 . ASP B 2 35 ? 39.837 38.902 28.104 1.00 98.25 ? 16 ASP A OD2 1 ATOM 520 N N . TYR B 2 36 ? 40.750 34.103 26.142 1.00 100.57 ? 17 TYR A N 1 ATOM 521 C CA . TYR B 2 36 ? 40.750 32.654 26.025 1.00 100.07 ? 17 TYR A CA 1 ATOM 522 C C . TYR B 2 36 ? 40.380 32.347 24.583 1.00 94.70 ? 17 TYR A C 1 ATOM 523 O O . TYR B 2 36 ? 39.243 32.014 24.295 1.00 94.51 ? 17 TYR A O 1 ATOM 524 C CB . TYR B 2 36 ? 39.706 32.030 26.962 1.00 105.22 ? 17 TYR A CB 1 ATOM 525 C CG . TYR B 2 36 ? 39.591 32.681 28.325 1.00 110.36 ? 17 TYR A CG 1 ATOM 526 C CD1 . TYR B 2 36 ? 38.878 33.859 28.496 1.00 111.92 ? 17 TYR A CD1 1 ATOM 527 C CD2 . TYR B 2 36 ? 40.148 32.085 29.452 1.00 113.66 ? 17 TYR A CD2 1 ATOM 528 C CE1 . TYR B 2 36 ? 38.711 34.422 29.761 1.00 114.24 ? 17 TYR A CE1 1 ATOM 529 C CE2 . TYR B 2 36 ? 39.987 32.641 30.719 1.00 116.11 ? 17 TYR A CE2 1 ATOM 530 C CZ . TYR B 2 36 ? 39.263 33.807 30.863 1.00 114.91 ? 17 TYR A CZ 1 ATOM 531 O OH . TYR B 2 36 ? 39.056 34.342 32.111 1.00 114.52 ? 17 TYR A OH 1 ATOM 532 N N . PRO B 2 37 ? 41.334 32.477 23.652 1.00 89.71 ? 18 PRO A N 1 ATOM 533 C CA . PRO B 2 37 ? 41.077 32.212 22.234 1.00 85.80 ? 18 PRO A CA 1 ATOM 534 C C . PRO B 2 37 ? 40.431 30.858 21.983 1.00 83.32 ? 18 PRO A C 1 ATOM 535 O O . PRO B 2 37 ? 39.308 30.803 21.514 1.00 83.23 ? 18 PRO A O 1 ATOM 536 C CB . PRO B 2 37 ? 42.464 32.328 21.606 1.00 86.89 ? 18 PRO A CB 1 ATOM 537 C CG . PRO B 2 37 ? 43.355 31.831 22.698 1.00 89.56 ? 18 PRO A CG 1 ATOM 538 C CD . PRO B 2 37 ? 42.781 32.559 23.899 1.00 87.40 ? 18 PRO A CD 1 ATOM 539 N N . GLN B 2 38 ? 41.140 29.776 22.311 1.00 82.25 ? 19 GLN A N 1 ATOM 540 C CA . GLN B 2 38 ? 40.649 28.396 22.115 1.00 81.38 ? 19 GLN A CA 1 ATOM 541 C C . GLN B 2 38 ? 39.182 28.166 22.521 1.00 75.29 ? 19 GLN A C 1 ATOM 542 O O . GLN B 2 38 ? 38.413 27.564 21.768 1.00 74.76 ? 19 GLN A O 1 ATOM 543 C CB . GLN B 2 38 ? 41.515 27.393 22.884 1.00 89.55 ? 19 GLN A CB 1 ATOM 544 C CG . GLN B 2 38 ? 42.716 28.021 23.532 1.00 96.98 ? 19 GLN A CG 1 ATOM 545 C CD . GLN B 2 38 ? 43.986 27.568 22.875 1.00 100.28 ? 19 GLN A CD 1 ATOM 546 O OE1 . GLN B 2 38 ? 44.939 28.331 22.757 1.00 104.83 ? 19 GLN A OE1 1 ATOM 547 N NE2 . GLN B 2 38 ? 44.015 26.307 22.451 1.00 101.13 ? 19 GLN A NE2 1 ATOM 548 N N . ILE B 2 39 ? 38.790 28.589 23.719 1.00 70.72 ? 20 ILE A N 1 ATOM 549 C CA . ILE B 2 39 ? 37.389 28.414 24.098 1.00 63.48 ? 20 ILE A CA 1 ATOM 550 C C . ILE B 2 39 ? 36.530 29.210 23.098 1.00 63.10 ? 20 ILE A C 1 ATOM 551 O O . ILE B 2 39 ? 35.697 28.640 22.413 1.00 64.93 ? 20 ILE A O 1 ATOM 552 C CB . ILE B 2 39 ? 37.168 28.858 25.550 1.00 58.94 ? 20 ILE A CB 1 ATOM 553 C CG1 . ILE B 2 39 ? 37.772 27.810 26.476 1.00 54.22 ? 20 ILE A CG1 1 ATOM 554 C CG2 . ILE B 2 39 ? 35.717 28.998 25.860 1.00 51.26 ? 20 ILE A CG2 1 ATOM 555 C CD1 . ILE B 2 39 ? 37.529 28.049 27.906 1.00 56.29 ? 20 ILE A CD1 1 ATOM 556 N N . PHE B 2 40 ? 36.743 30.516 22.991 1.00 60.69 ? 21 PHE A N 1 ATOM 557 C CA . PHE B 2 40 ? 36.017 31.330 22.015 1.00 58.04 ? 21 PHE A CA 1 ATOM 558 C C . PHE B 2 40 ? 35.846 30.544 20.722 1.00 58.73 ? 21 PHE A C 1 ATOM 559 O O . PHE B 2 40 ? 34.757 30.106 20.363 1.00 56.83 ? 21 PHE A O 1 ATOM 560 C CB . PHE B 2 40 ? 36.818 32.603 21.699 1.00 57.55 ? 21 PHE A CB 1 ATOM 561 C CG . PHE B 2 40 ? 36.158 33.504 20.704 1.00 57.28 ? 21 PHE A CG 1 ATOM 562 C CD1 . PHE B 2 40 ? 35.388 34.571 21.138 1.00 60.35 ? 21 PHE A CD1 1 ATOM 563 C CD2 . PHE B 2 40 ? 36.263 33.262 19.334 1.00 58.35 ? 21 PHE A CD2 1 ATOM 564 C CE1 . PHE B 2 40 ? 34.726 35.389 20.227 1.00 62.99 ? 21 PHE A CE1 1 ATOM 565 C CE2 . PHE B 2 40 ? 35.602 34.073 18.410 1.00 58.07 ? 21 PHE A CE2 1 ATOM 566 C CZ . PHE B 2 40 ? 34.832 35.137 18.859 1.00 60.16 ? 21 PHE A CZ 1 ATOM 567 N N . ASP B 2 41 ? 36.963 30.373 20.036 1.00 61.92 ? 22 ASP A N 1 ATOM 568 C CA . ASP B 2 41 ? 37.035 29.674 18.762 1.00 66.64 ? 22 ASP A CA 1 ATOM 569 C C . ASP B 2 41 ? 36.197 28.403 18.726 1.00 67.59 ? 22 ASP A C 1 ATOM 570 O O . ASP B 2 41 ? 35.603 28.033 17.710 1.00 70.70 ? 22 ASP A O 1 ATOM 571 C CB . ASP B 2 41 ? 38.496 29.353 18.485 1.00 70.04 ? 22 ASP A CB 1 ATOM 572 C CG . ASP B 2 41 ? 38.697 28.558 17.225 1.00 75.06 ? 22 ASP A CG 1 ATOM 573 O OD1 . ASP B 2 41 ? 38.040 27.499 17.074 1.00 73.07 ? 22 ASP A OD1 1 ATOM 574 O OD2 . ASP B 2 41 ? 39.528 28.997 16.396 1.00 78.51 ? 22 ASP A OD2 1 ATOM 575 N N . PHE B 2 42 ? 36.163 27.718 19.847 1.00 67.14 ? 23 PHE A N 1 ATOM 576 C CA . PHE B 2 42 ? 35.393 26.495 19.945 1.00 65.38 ? 23 PHE A CA 1 ATOM 577 C C . PHE B 2 42 ? 33.908 26.776 19.759 1.00 64.43 ? 23 PHE A C 1 ATOM 578 O O . PHE B 2 42 ? 33.328 26.462 18.727 1.00 63.13 ? 23 PHE A O 1 ATOM 579 C CB . PHE B 2 42 ? 35.621 25.877 21.323 1.00 66.57 ? 23 PHE A CB 1 ATOM 580 C CG . PHE B 2 42 ? 34.890 24.612 21.532 1.00 66.34 ? 23 PHE A CG 1 ATOM 581 C CD1 . PHE B 2 42 ? 35.149 23.523 20.718 1.00 64.66 ? 23 PHE A CD1 1 ATOM 582 C CD2 . PHE B 2 42 ? 33.953 24.487 22.556 1.00 69.19 ? 23 PHE A CD2 1 ATOM 583 C CE1 . PHE B 2 42 ? 34.486 22.323 20.907 1.00 65.94 ? 23 PHE A CE1 1 ATOM 584 C CE2 . PHE B 2 42 ? 33.279 23.283 22.756 1.00 67.73 ? 23 PHE A CE2 1 ATOM 585 C CZ . PHE B 2 42 ? 33.552 22.193 21.933 1.00 66.65 ? 23 PHE A CZ 1 ATOM 586 N N . LEU B 2 43 ? 33.313 27.378 20.785 1.00 63.00 ? 24 LEU A N 1 ATOM 587 C CA . LEU B 2 43 ? 31.891 27.687 20.806 1.00 62.91 ? 24 LEU A CA 1 ATOM 588 C C . LEU B 2 43 ? 31.438 28.315 19.533 1.00 61.83 ? 24 LEU A C 1 ATOM 589 O O . LEU B 2 43 ? 30.319 28.096 19.073 1.00 58.77 ? 24 LEU A O 1 ATOM 590 C CB . LEU B 2 43 ? 31.542 28.646 21.956 1.00 63.75 ? 24 LEU A CB 1 ATOM 591 C CG . LEU B 2 43 ? 31.512 28.161 23.413 1.00 62.49 ? 24 LEU A CG 1 ATOM 592 C CD1 . LEU B 2 43 ? 31.011 26.715 23.511 1.00 64.20 ? 24 LEU A CD1 1 ATOM 593 C CD2 . LEU B 2 43 ? 32.882 28.225 23.964 1.00 66.26 ? 24 LEU A CD2 1 ATOM 594 N N . GLU B 2 44 ? 32.325 29.110 18.968 1.00 62.19 ? 25 GLU A N 1 ATOM 595 C CA . GLU B 2 44 ? 31.994 29.808 17.761 1.00 64.47 ? 25 GLU A CA 1 ATOM 596 C C . GLU B 2 44 ? 31.943 28.906 16.525 1.00 64.97 ? 25 GLU A C 1 ATOM 597 O O . GLU B 2 44 ? 31.446 29.301 15.479 1.00 65.55 ? 25 GLU A O 1 ATOM 598 C CB . GLU B 2 44 ? 32.981 30.954 17.569 1.00 66.53 ? 25 GLU A CB 1 ATOM 599 C CG . GLU B 2 44 ? 32.352 32.163 16.900 1.00 73.49 ? 25 GLU A CG 1 ATOM 600 C CD . GLU B 2 44 ? 31.339 32.877 17.784 1.00 75.84 ? 25 GLU A CD 1 ATOM 601 O OE1 . GLU B 2 44 ? 30.430 32.219 18.346 1.00 74.11 ? 25 GLU A OE1 1 ATOM 602 O OE2 . GLU B 2 44 ? 31.453 34.114 17.903 1.00 78.76 ? 25 GLU A OE2 1 ATOM 603 N N . ASN B 2 45 ? 32.412 27.675 16.641 1.00 66.08 ? 26 ASN A N 1 ATOM 604 C CA . ASN B 2 45 ? 32.416 26.813 15.472 1.00 66.06 ? 26 ASN A CA 1 ATOM 605 C C . ASN B 2 45 ? 32.021 25.367 15.709 1.00 65.83 ? 26 ASN A C 1 ATOM 606 O O . ASN B 2 45 ? 32.626 24.433 15.179 1.00 65.37 ? 26 ASN A O 1 ATOM 607 C CB . ASN B 2 45 ? 33.785 26.892 14.836 1.00 67.49 ? 26 ASN A CB 1 ATOM 608 C CG . ASN B 2 45 ? 34.089 28.275 14.332 1.00 65.81 ? 26 ASN A CG 1 ATOM 609 O OD1 . ASN B 2 45 ? 33.513 28.730 13.347 1.00 66.67 ? 26 ASN A OD1 1 ATOM 610 N ND2 . ASN B 2 45 ? 34.986 28.964 15.015 1.00 71.10 ? 26 ASN A ND2 1 ATOM 611 N N . VAL B 2 46 ? 30.983 25.203 16.507 1.00 64.77 ? 27 VAL A N 1 ATOM 612 C CA . VAL B 2 46 ? 30.446 23.910 16.842 1.00 62.35 ? 27 VAL A CA 1 ATOM 613 C C . VAL B 2 46 ? 29.180 23.798 15.998 1.00 63.06 ? 27 VAL A C 1 ATOM 614 O O . VAL B 2 46 ? 28.576 24.816 15.661 1.00 62.37 ? 27 VAL A O 1 ATOM 615 C CB . VAL B 2 46 ? 30.131 23.909 18.325 1.00 61.44 ? 27 VAL A CB 1 ATOM 616 C CG1 . VAL B 2 46 ? 29.082 22.889 18.650 1.00 68.22 ? 27 VAL A CG1 1 ATOM 617 C CG2 . VAL B 2 46 ? 31.400 23.647 19.090 1.00 60.41 ? 27 VAL A CG2 1 ATOM 618 N N . PRO B 2 47 ? 28.758 22.570 15.633 1.00 62.88 ? 28 PRO A N 1 ATOM 619 C CA . PRO B 2 47 ? 27.547 22.439 14.821 1.00 62.01 ? 28 PRO A CA 1 ATOM 620 C C . PRO B 2 47 ? 26.314 23.102 15.422 1.00 64.71 ? 28 PRO A C 1 ATOM 621 O O . PRO B 2 47 ? 26.172 23.232 16.642 1.00 68.36 ? 28 PRO A O 1 ATOM 622 C CB . PRO B 2 47 ? 27.379 20.935 14.694 1.00 57.99 ? 28 PRO A CB 1 ATOM 623 C CG . PRO B 2 47 ? 28.767 20.433 14.762 1.00 60.24 ? 28 PRO A CG 1 ATOM 624 C CD . PRO B 2 47 ? 29.370 21.248 15.854 1.00 62.75 ? 28 PRO A CD 1 ATOM 625 N N . ARG B 2 48 ? 25.417 23.510 14.540 1.00 64.51 ? 29 ARG A N 1 ATOM 626 C CA . ARG B 2 48 ? 24.186 24.161 14.926 1.00 65.06 ? 29 ARG A CA 1 ATOM 627 C C . ARG B 2 48 ? 23.350 23.416 15.972 1.00 62.62 ? 29 ARG A C 1 ATOM 628 O O . ARG B 2 48 ? 22.946 22.273 15.764 1.00 60.45 ? 29 ARG A O 1 ATOM 629 C CB . ARG B 2 48 ? 23.353 24.411 13.661 1.00 72.65 ? 29 ARG A CB 1 ATOM 630 C CG . ARG B 2 48 ? 23.722 25.703 12.962 1.00 82.40 ? 29 ARG A CG 1 ATOM 631 C CD . ARG B 2 48 ? 23.497 26.821 13.971 1.00 92.19 ? 29 ARG A CD 1 ATOM 632 N NE . ARG B 2 48 ? 24.422 27.940 13.845 1.00 101.81 ? 29 ARG A NE 1 ATOM 633 C CZ . ARG B 2 48 ? 24.541 28.902 14.757 1.00 107.36 ? 29 ARG A CZ 1 ATOM 634 N NH1 . ARG B 2 48 ? 23.792 28.870 15.855 1.00 108.78 ? 29 ARG A NH1 1 ATOM 635 N NH2 . ARG B 2 48 ? 25.404 29.896 14.571 1.00 112.10 ? 29 ARG A NH2 1 ATOM 636 N N . GLY B 2 49 ? 23.098 24.060 17.105 1.00 59.73 ? 30 GLY A N 1 ATOM 637 C CA . GLY B 2 49 ? 22.260 23.442 18.113 1.00 57.77 ? 30 GLY A CA 1 ATOM 638 C C . GLY B 2 49 ? 22.967 22.471 19.021 1.00 61.23 ? 30 GLY A C 1 ATOM 639 O O . GLY B 2 49 ? 22.322 21.609 19.632 1.00 59.08 ? 30 GLY A O 1 ATOM 640 N N . THR B 2 50 ? 24.286 22.635 19.129 1.00 63.20 ? 31 THR A N 1 ATOM 641 C CA . THR B 2 50 ? 25.139 21.784 19.954 1.00 60.58 ? 31 THR A CA 1 ATOM 642 C C . THR B 2 50 ? 25.815 22.532 21.104 1.00 62.74 ? 31 THR A C 1 ATOM 643 O O . THR B 2 50 ? 26.405 21.925 21.999 1.00 63.15 ? 31 THR A O 1 ATOM 644 C CB . THR B 2 50 ? 26.221 21.182 19.120 1.00 59.05 ? 31 THR A CB 1 ATOM 645 O OG1 . THR B 2 50 ? 25.676 20.812 17.860 1.00 54.93 ? 31 THR A OG1 1 ATOM 646 C CG2 . THR B 2 50 ? 26.763 19.964 19.798 1.00 66.80 ? 31 THR A CG2 1 ATOM 647 N N . LYS B 2 51 ? 25.745 23.855 21.070 1.00 62.14 ? 32 LYS A N 1 ATOM 648 C CA . LYS B 2 51 ? 26.348 24.652 22.114 1.00 64.52 ? 32 LYS A CA 1 ATOM 649 C C . LYS B 2 51 ? 25.852 24.215 23.505 1.00 63.94 ? 32 LYS A C 1 ATOM 650 O O . LYS B 2 51 ? 26.651 23.840 24.367 1.00 65.94 ? 32 LYS A O 1 ATOM 651 C CB . LYS B 2 51 ? 26.069 26.151 21.870 1.00 68.26 ? 32 LYS A CB 1 ATOM 652 C CG . LYS B 2 51 ? 26.938 26.776 20.798 1.00 68.36 ? 32 LYS A CG 1 ATOM 653 C CD . LYS B 2 51 ? 26.521 28.196 20.417 1.00 70.46 ? 32 LYS A CD 1 ATOM 654 C CE . LYS B 2 51 ? 27.315 29.255 21.165 1.00 73.31 ? 32 LYS A CE 1 ATOM 655 N NZ . LYS B 2 51 ? 27.408 30.540 20.408 1.00 72.98 ? 32 LYS A NZ 1 ATOM 656 N N . THR B 2 52 ? 24.552 24.250 23.747 1.00 62.30 ? 33 THR A N 1 ATOM 657 C CA . THR B 2 52 ? 24.094 23.840 25.064 1.00 63.05 ? 33 THR A CA 1 ATOM 658 C C . THR B 2 52 ? 24.553 22.403 25.357 1.00 64.35 ? 33 THR A C 1 ATOM 659 O O . THR B 2 52 ? 25.101 22.131 26.440 1.00 60.85 ? 33 THR A O 1 ATOM 660 C CB . THR B 2 52 ? 22.564 23.971 25.179 1.00 65.12 ? 33 THR A CB 1 ATOM 661 O OG1 . THR B 2 52 ? 22.205 25.361 25.068 1.00 67.71 ? 33 THR A OG1 1 ATOM 662 C CG2 . THR B 2 52 ? 22.066 23.414 26.513 1.00 58.82 ? 33 THR A CG2 1 ATOM 663 N N . ALA B 2 53 ? 24.368 21.497 24.386 1.00 64.45 ? 34 ALA A N 1 ATOM 664 C CA . ALA B 2 53 ? 24.778 20.091 24.552 1.00 60.68 ? 34 ALA A CA 1 ATOM 665 C C . ALA B 2 53 ? 26.233 20.003 24.945 1.00 59.44 ? 34 ALA A C 1 ATOM 666 O O . ALA B 2 53 ? 26.564 19.400 25.955 1.00 61.01 ? 34 ALA A O 1 ATOM 667 C CB . ALA B 2 53 ? 24.564 19.303 23.274 1.00 60.71 ? 34 ALA A CB 1 ATOM 668 N N . HIS B 2 54 ? 27.112 20.599 24.141 1.00 57.65 ? 35 HIS A N 1 ATOM 669 C CA . HIS B 2 54 ? 28.551 20.556 24.433 1.00 53.17 ? 35 HIS A CA 1 ATOM 670 C C . HIS B 2 54 ? 28.912 21.015 25.839 1.00 51.29 ? 35 HIS A C 1 ATOM 671 O O . HIS B 2 54 ? 29.529 20.263 26.600 1.00 50.71 ? 35 HIS A O 1 ATOM 672 C CB . HIS B 2 54 ? 29.337 21.399 23.426 1.00 49.87 ? 35 HIS A CB 1 ATOM 673 C CG . HIS B 2 54 ? 29.815 20.634 22.232 1.00 53.10 ? 35 HIS A CG 1 ATOM 674 N ND1 . HIS B 2 54 ? 29.483 20.976 20.930 1.00 52.15 ? 35 HIS A ND1 1 ATOM 675 C CD2 . HIS B 2 54 ? 30.584 19.521 22.132 1.00 55.16 ? 35 HIS A CD2 1 ATOM 676 C CE1 . HIS B 2 54 ? 30.014 20.108 20.091 1.00 51.68 ? 35 HIS A CE1 1 ATOM 677 N NE2 . HIS B 2 54 ? 30.688 19.211 20.797 1.00 56.86 ? 35 HIS A NE2 1 ATOM 678 N N . ILE B 2 55 ? 28.529 22.244 26.180 1.00 48.48 ? 36 ILE A N 1 ATOM 679 C CA . ILE B 2 55 ? 28.854 22.791 27.490 1.00 47.50 ? 36 ILE A CA 1 ATOM 680 C C . ILE B 2 55 ? 28.313 21.834 28.542 1.00 48.11 ? 36 ILE A C 1 ATOM 681 O O . ILE B 2 55 ? 28.982 21.475 29.537 1.00 44.04 ? 36 ILE A O 1 ATOM 682 C CB . ILE B 2 55 ? 28.188 24.166 27.706 1.00 45.98 ? 36 ILE A CB 1 ATOM 683 C CG1 . ILE B 2 55 ? 28.566 25.130 26.596 1.00 42.35 ? 36 ILE A CG1 1 ATOM 684 C CG2 . ILE B 2 55 ? 28.600 24.739 29.052 1.00 46.61 ? 36 ILE A CG2 1 ATOM 685 C CD1 . ILE B 2 55 ? 27.924 26.469 26.774 1.00 43.54 ? 36 ILE A CD1 1 ATOM 686 N N . ARG B 2 56 ? 27.079 21.420 28.300 1.00 49.60 ? 37 ARG A N 1 ATOM 687 C CA . ARG B 2 56 ? 26.418 20.521 29.220 1.00 53.32 ? 37 ARG A CA 1 ATOM 688 C C . ARG B 2 56 ? 27.324 19.287 29.385 1.00 54.62 ? 37 ARG A C 1 ATOM 689 O O . ARG B 2 56 ? 27.544 18.810 30.493 1.00 56.68 ? 37 ARG A O 1 ATOM 690 C CB . ARG B 2 56 ? 25.026 20.198 28.666 1.00 54.15 ? 37 ARG A CB 1 ATOM 691 C CG . ARG B 2 56 ? 24.094 19.414 29.567 1.00 50.21 ? 37 ARG A CG 1 ATOM 692 C CD . ARG B 2 56 ? 22.712 19.328 28.861 1.00 49.99 ? 37 ARG A CD 1 ATOM 693 N NE . ARG B 2 56 ? 22.793 18.968 27.441 1.00 41.88 ? 37 ARG A NE 1 ATOM 694 C CZ . ARG B 2 56 ? 21.802 19.136 26.573 1.00 49.61 ? 37 ARG A CZ 1 ATOM 695 N NH1 . ARG B 2 56 ? 20.657 19.654 26.974 1.00 59.46 ? 37 ARG A NH1 1 ATOM 696 N NH2 . ARG B 2 56 ? 21.948 18.817 25.294 1.00 50.03 ? 37 ARG A NH2 1 ATOM 697 N N . GLU B 2 57 ? 27.908 18.821 28.289 1.00 54.10 ? 38 GLU A N 1 ATOM 698 C CA . GLU B 2 57 ? 28.799 17.670 28.348 1.00 56.33 ? 38 GLU A CA 1 ATOM 699 C C . GLU B 2 57 ? 30.061 17.989 29.143 1.00 57.53 ? 38 GLU A C 1 ATOM 700 O O . GLU B 2 57 ? 30.432 17.246 30.053 1.00 55.12 ? 38 GLU A O 1 ATOM 701 C CB . GLU B 2 57 ? 29.204 17.258 26.945 1.00 61.38 ? 38 GLU A CB 1 ATOM 702 C CG . GLU B 2 57 ? 30.176 16.106 26.931 1.00 67.19 ? 38 GLU A CG 1 ATOM 703 C CD . GLU B 2 57 ? 29.639 14.930 27.701 1.00 71.94 ? 38 GLU A CD 1 ATOM 704 O OE1 . GLU B 2 57 ? 28.415 14.684 27.628 1.00 77.62 ? 38 GLU A OE1 1 ATOM 705 O OE2 . GLU B 2 57 ? 30.431 14.245 28.375 1.00 78.19 ? 38 GLU A OE2 1 ATOM 706 N N . ALA B 2 58 ? 30.703 19.103 28.773 1.00 58.93 ? 39 ALA A N 1 ATOM 707 C CA . ALA B 2 58 ? 31.931 19.600 29.397 1.00 58.72 ? 39 ALA A CA 1 ATOM 708 C C . ALA B 2 58 ? 31.841 19.656 30.911 1.00 60.03 ? 39 ALA A C 1 ATOM 709 O O . ALA B 2 58 ? 32.754 19.196 31.623 1.00 59.40 ? 39 ALA A O 1 ATOM 710 C CB . ALA B 2 58 ? 32.261 20.982 28.844 1.00 56.55 ? 39 ALA A CB 1 ATOM 711 N N . LEU B 2 59 ? 30.726 20.207 31.392 1.00 60.04 ? 40 LEU A N 1 ATOM 712 C CA . LEU B 2 59 ? 30.497 20.337 32.827 1.00 60.73 ? 40 LEU A CA 1 ATOM 713 C C . LEU B 2 59 ? 30.311 18.985 33.465 1.00 61.13 ? 40 LEU A C 1 ATOM 714 O O . LEU B 2 59 ? 30.965 18.660 34.453 1.00 62.10 ? 40 LEU A O 1 ATOM 715 C CB . LEU B 2 59 ? 29.280 21.212 33.105 1.00 61.13 ? 40 LEU A CB 1 ATOM 716 C CG . LEU B 2 59 ? 29.483 22.686 32.715 1.00 61.47 ? 40 LEU A CG 1 ATOM 717 C CD1 . LEU B 2 59 ? 28.135 23.374 32.712 1.00 64.31 ? 40 LEU A CD1 1 ATOM 718 C CD2 . LEU B 2 59 ? 30.463 23.394 33.665 1.00 56.89 ? 40 LEU A CD2 1 ATOM 719 N N . ARG B 2 60 ? 29.426 18.194 32.881 1.00 60.00 ? 41 ARG A N 1 ATOM 720 C CA . ARG B 2 60 ? 29.152 16.847 33.372 1.00 64.33 ? 41 ARG A CA 1 ATOM 721 C C . ARG B 2 60 ? 30.456 16.166 33.752 1.00 67.73 ? 41 ARG A C 1 ATOM 722 O O . ARG B 2 60 ? 30.640 15.707 34.892 1.00 69.16 ? 41 ARG A O 1 ATOM 723 C CB . ARG B 2 60 ? 28.472 16.050 32.277 1.00 67.13 ? 41 ARG A CB 1 ATOM 724 C CG . ARG B 2 60 ? 28.616 14.544 32.352 1.00 71.25 ? 41 ARG A CG 1 ATOM 725 C CD . ARG B 2 60 ? 27.326 13.934 31.854 1.00 79.88 ? 41 ARG A CD 1 ATOM 726 N NE . ARG B 2 60 ? 26.250 14.314 32.777 1.00 90.63 ? 41 ARG A NE 1 ATOM 727 C CZ . ARG B 2 60 ? 25.070 14.842 32.438 1.00 92.63 ? 41 ARG A CZ 1 ATOM 728 N NH1 . ARG B 2 60 ? 24.764 15.074 31.159 1.00 84.49 ? 41 ARG A NH1 1 ATOM 729 N NH2 . ARG B 2 60 ? 24.198 15.153 33.407 1.00 93.21 ? 41 ARG A NH2 1 ATOM 730 N N . ARG B 2 61 ? 31.364 16.130 32.781 1.00 67.98 ? 42 ARG A N 1 ATOM 731 C CA . ARG B 2 61 ? 32.677 15.527 32.949 1.00 65.65 ? 42 ARG A CA 1 ATOM 732 C C . ARG B 2 61 ? 33.508 16.276 33.954 1.00 64.66 ? 42 ARG A C 1 ATOM 733 O O . ARG B 2 61 ? 34.124 15.666 34.816 1.00 61.93 ? 42 ARG A O 1 ATOM 734 C CB . ARG B 2 61 ? 33.441 15.512 31.627 1.00 67.34 ? 42 ARG A CB 1 ATOM 735 C CG . ARG B 2 61 ? 32.762 14.767 30.525 1.00 67.08 ? 42 ARG A CG 1 ATOM 736 C CD . ARG B 2 61 ? 33.697 14.655 29.344 1.00 68.90 ? 42 ARG A CD 1 ATOM 737 N NE . ARG B 2 61 ? 33.018 14.062 28.198 1.00 73.39 ? 42 ARG A NE 1 ATOM 738 C CZ . ARG B 2 61 ? 33.589 13.854 27.021 1.00 72.96 ? 42 ARG A CZ 1 ATOM 739 N NH1 . ARG B 2 61 ? 34.862 14.190 26.836 1.00 75.73 ? 42 ARG A NH1 1 ATOM 740 N NH2 . ARG B 2 61 ? 32.880 13.327 26.032 1.00 71.92 ? 42 ARG A NH2 1 ATOM 741 N N . TYR B 2 62 ? 33.553 17.597 33.817 1.00 60.81 ? 43 TYR A N 1 ATOM 742 C CA . TYR B 2 62 ? 34.315 18.403 34.751 1.00 63.23 ? 43 TYR A CA 1 ATOM 743 C C . TYR B 2 62 ? 33.903 18.001 36.160 1.00 65.59 ? 43 TYR A C 1 ATOM 744 O O . TYR B 2 62 ? 34.693 17.424 36.915 1.00 60.79 ? 43 TYR A O 1 ATOM 745 C CB . TYR B 2 62 ? 34.022 19.885 34.505 1.00 66.20 ? 43 TYR A CB 1 ATOM 746 C CG . TYR B 2 62 ? 34.691 20.862 35.459 1.00 66.34 ? 43 TYR A CG 1 ATOM 747 C CD1 . TYR B 2 62 ? 33.920 21.635 36.318 1.00 67.69 ? 43 TYR A CD1 1 ATOM 748 C CD2 . TYR B 2 62 ? 36.075 21.050 35.470 1.00 62.40 ? 43 TYR A CD2 1 ATOM 749 C CE1 . TYR B 2 62 ? 34.494 22.578 37.169 1.00 69.89 ? 43 TYR A CE1 1 ATOM 750 C CE2 . TYR B 2 62 ? 36.668 22.001 36.322 1.00 65.30 ? 43 TYR A CE2 1 ATOM 751 C CZ . TYR B 2 62 ? 35.863 22.768 37.176 1.00 67.50 ? 43 TYR A CZ 1 ATOM 752 O OH . TYR B 2 62 ? 36.367 23.726 38.053 1.00 57.42 ? 43 TYR A OH 1 ATOM 753 N N . ILE B 2 63 ? 32.640 18.281 36.483 1.00 68.26 ? 44 ILE A N 1 ATOM 754 C CA . ILE B 2 63 ? 32.063 17.964 37.785 1.00 71.84 ? 44 ILE A CA 1 ATOM 755 C C . ILE B 2 63 ? 32.644 16.719 38.447 1.00 78.41 ? 44 ILE A C 1 ATOM 756 O O . ILE B 2 63 ? 33.513 16.838 39.307 1.00 81.71 ? 44 ILE A O 1 ATOM 757 C CB . ILE B 2 63 ? 30.540 17.775 37.706 1.00 69.90 ? 44 ILE A CB 1 ATOM 758 C CG1 . ILE B 2 63 ? 29.839 19.116 37.568 1.00 66.24 ? 44 ILE A CG1 1 ATOM 759 C CG2 . ILE B 2 63 ? 30.036 17.118 38.963 1.00 66.60 ? 44 ILE A CG2 1 ATOM 760 C CD1 . ILE B 2 63 ? 28.344 18.971 37.465 1.00 65.27 ? 44 ILE A CD1 1 ATOM 761 N N . GLU B 2 64 ? 32.191 15.526 38.066 1.00 82.24 ? 45 GLU A N 1 ATOM 762 C CA . GLU B 2 64 ? 32.720 14.341 38.732 1.00 89.65 ? 45 GLU A CA 1 ATOM 763 C C . GLU B 2 64 ? 34.244 14.226 38.736 1.00 93.75 ? 45 GLU A C 1 ATOM 764 O O . GLU B 2 64 ? 34.808 13.596 39.631 1.00 91.76 ? 45 GLU A O 1 ATOM 765 C CB . GLU B 2 64 ? 32.125 13.082 38.152 1.00 89.74 ? 45 GLU A CB 1 ATOM 766 C CG . GLU B 2 64 ? 32.428 12.867 36.720 1.00 95.14 ? 45 GLU A CG 1 ATOM 767 C CD . GLU B 2 64 ? 32.340 11.404 36.365 1.00 98.54 ? 45 GLU A CD 1 ATOM 768 O OE1 . GLU B 2 64 ? 33.284 10.668 36.741 1.00 103.57 ? 45 GLU A OE1 1 ATOM 769 O OE2 . GLU B 2 64 ? 31.335 10.990 35.734 1.00 97.11 ? 45 GLU A OE2 1 ATOM 770 N N . GLU B 2 65 ? 34.909 14.829 37.749 1.00 99.41 ? 46 GLU A N 1 ATOM 771 C CA . GLU B 2 65 ? 36.374 14.808 37.695 1.00 104.84 ? 46 GLU A CA 1 ATOM 772 C C . GLU B 2 65 ? 36.874 15.391 38.999 1.00 106.82 ? 46 GLU A C 1 ATOM 773 O O . GLU B 2 65 ? 37.923 15.008 39.504 1.00 106.56 ? 46 GLU A O 1 ATOM 774 C CB . GLU B 2 65 ? 36.906 15.662 36.540 1.00 107.66 ? 46 GLU A CB 1 ATOM 775 C CG . GLU B 2 65 ? 36.947 14.952 35.209 1.00 116.57 ? 46 GLU A CG 1 ATOM 776 C CD . GLU B 2 65 ? 37.429 15.843 34.056 1.00 122.73 ? 46 GLU A CD 1 ATOM 777 O OE1 . GLU B 2 65 ? 36.661 16.729 33.617 1.00 127.41 ? 46 GLU A OE1 1 ATOM 778 O OE2 . GLU B 2 65 ? 38.576 15.660 33.582 1.00 124.40 ? 46 GLU A OE2 1 ATOM 779 N N . ILE B 2 66 ? 36.099 16.329 39.534 1.00 110.08 ? 47 ILE A N 1 ATOM 780 C CA . ILE B 2 66 ? 36.434 16.988 40.788 1.00 114.34 ? 47 ILE A CA 1 ATOM 781 C C . ILE B 2 66 ? 36.051 16.079 41.960 1.00 116.99 ? 47 ILE A C 1 ATOM 782 O O . ILE B 2 66 ? 36.780 15.147 42.304 1.00 118.32 ? 47 ILE A O 1 ATOM 783 C CB . ILE B 2 66 ? 35.674 18.335 40.944 1.00 114.28 ? 47 ILE A CB 1 ATOM 784 C CG1 . ILE B 2 66 ? 35.674 19.118 39.625 1.00 111.51 ? 47 ILE A CG1 1 ATOM 785 C CG2 . ILE B 2 66 ? 36.317 19.160 42.054 1.00 115.76 ? 47 ILE A CG2 1 ATOM 786 C CD1 . ILE B 2 66 ? 37.022 19.611 39.179 1.00 108.53 ? 47 ILE A CD1 1 ATOM 787 N N . GLY B 2 67 ? 34.901 16.355 42.567 1.00 118.93 ? 48 GLY A N 1 ATOM 788 C CA . GLY B 2 67 ? 34.446 15.554 43.685 1.00 122.69 ? 48 GLY A CA 1 ATOM 789 C C . GLY B 2 67 ? 33.725 14.304 43.222 1.00 125.24 ? 48 GLY A C 1 ATOM 790 O O . GLY B 2 67 ? 32.509 14.404 42.957 1.00 127.16 ? 48 GLY A O 1 ATOM 791 N N . LYS C 2 23 ? 36.538 40.318 19.882 1.00 59.61 ? 4 LYS B N 1 ATOM 792 C CA . LYS C 2 23 ? 35.107 39.893 19.925 1.00 60.44 ? 4 LYS B CA 1 ATOM 793 C C . LYS C 2 23 ? 34.758 39.173 21.217 1.00 65.51 ? 4 LYS B C 1 ATOM 794 O O . LYS C 2 23 ? 35.564 39.087 22.153 1.00 67.00 ? 4 LYS B O 1 ATOM 795 C CB . LYS C 2 23 ? 34.765 38.980 18.734 1.00 56.55 ? 4 LYS B CB 1 ATOM 796 C CG . LYS C 2 23 ? 34.220 39.755 17.539 1.00 55.88 ? 4 LYS B CG 1 ATOM 797 C CD . LYS C 2 23 ? 35.092 39.542 16.303 1.00 54.60 ? 4 LYS B CD 1 ATOM 798 C CE . LYS C 2 23 ? 34.605 40.432 15.134 1.00 58.28 ? 4 LYS B CE 1 ATOM 799 N NZ . LYS C 2 23 ? 35.236 40.019 13.782 1.00 58.31 ? 4 LYS B NZ 1 ATOM 800 N N . GLU C 2 24 ? 33.550 38.633 21.255 1.00 66.04 ? 5 GLU B N 1 ATOM 801 C CA . GLU C 2 24 ? 33.094 37.938 22.424 1.00 63.52 ? 5 GLU B CA 1 ATOM 802 C C . GLU C 2 24 ? 31.998 37.008 21.956 1.00 65.68 ? 5 GLU B C 1 ATOM 803 O O . GLU C 2 24 ? 31.368 37.256 20.933 1.00 66.78 ? 5 GLU B O 1 ATOM 804 C CB . GLU C 2 24 ? 32.559 38.951 23.417 1.00 59.59 ? 5 GLU B CB 1 ATOM 805 C CG . GLU C 2 24 ? 32.470 38.420 24.822 1.00 72.22 ? 5 GLU B CG 1 ATOM 806 C CD . GLU C 2 24 ? 32.139 39.529 25.822 1.00 79.74 ? 5 GLU B CD 1 ATOM 807 O OE1 . GLU C 2 24 ? 31.667 40.601 25.343 1.00 85.98 ? 5 GLU B OE1 1 ATOM 808 O OE2 . GLU C 2 24 ? 32.349 39.328 27.060 1.00 84.23 ? 5 GLU B OE2 1 ATOM 809 N N . THR C 2 25 ? 31.799 35.910 22.676 1.00 69.06 ? 6 THR B N 1 ATOM 810 C CA . THR C 2 25 ? 30.746 34.960 22.339 1.00 66.48 ? 6 THR B CA 1 ATOM 811 C C . THR C 2 25 ? 29.875 34.932 23.556 1.00 65.38 ? 6 THR B C 1 ATOM 812 O O . THR C 2 25 ? 30.324 34.519 24.617 1.00 66.50 ? 6 THR B O 1 ATOM 813 C CB . THR C 2 25 ? 31.258 33.539 22.164 1.00 65.04 ? 6 THR B CB 1 ATOM 814 O OG1 . THR C 2 25 ? 32.460 33.543 21.389 1.00 65.86 ? 6 THR B OG1 1 ATOM 815 C CG2 . THR C 2 25 ? 30.200 32.705 21.456 1.00 65.46 ? 6 THR B CG2 1 ATOM 816 N N . LYS C 2 26 ? 28.646 35.399 23.433 1.00 67.29 ? 7 LYS B N 1 ATOM 817 C CA . LYS C 2 26 ? 27.750 35.372 24.579 1.00 66.40 ? 7 LYS B CA 1 ATOM 818 C C . LYS C 2 26 ? 26.907 34.127 24.369 1.00 62.40 ? 7 LYS B C 1 ATOM 819 O O . LYS C 2 26 ? 26.727 33.675 23.245 1.00 64.32 ? 7 LYS B O 1 ATOM 820 C CB . LYS C 2 26 ? 26.831 36.605 24.604 1.00 70.13 ? 7 LYS B CB 1 ATOM 821 C CG . LYS C 2 26 ? 27.461 37.929 24.125 1.00 74.96 ? 7 LYS B CG 1 ATOM 822 C CD . LYS C 2 26 ? 28.420 38.542 25.137 1.00 79.31 ? 7 LYS B CD 1 ATOM 823 C CE . LYS C 2 26 ? 28.694 40.031 24.801 1.00 83.02 ? 7 LYS B CE 1 ATOM 824 N NZ . LYS C 2 26 ? 29.414 40.806 25.890 1.00 82.44 ? 7 LYS B NZ 1 ATOM 825 N N . HIS C 2 27 ? 26.429 33.550 25.453 1.00 58.91 ? 8 HIS B N 1 ATOM 826 C CA . HIS C 2 27 ? 25.570 32.387 25.366 1.00 58.67 ? 8 HIS B CA 1 ATOM 827 C C . HIS C 2 27 ? 24.823 32.159 26.667 1.00 60.31 ? 8 HIS B C 1 ATOM 828 O O . HIS C 2 27 ? 25.406 32.164 27.764 1.00 60.93 ? 8 HIS B O 1 ATOM 829 C CB . HIS C 2 27 ? 26.352 31.136 24.985 1.00 58.80 ? 8 HIS B CB 1 ATOM 830 C CG . HIS C 2 27 ? 25.476 29.932 24.772 1.00 62.39 ? 8 HIS B CG 1 ATOM 831 N ND1 . HIS C 2 27 ? 24.935 29.215 25.814 1.00 61.94 ? 8 HIS B ND1 1 ATOM 832 C CD2 . HIS C 2 27 ? 25.022 29.353 23.631 1.00 63.24 ? 8 HIS B CD2 1 ATOM 833 C CE1 . HIS C 2 27 ? 24.183 28.237 25.327 1.00 62.75 ? 8 HIS B CE1 1 ATOM 834 N NE2 . HIS C 2 27 ? 24.219 28.300 24.009 1.00 65.00 ? 8 HIS B NE2 1 ATOM 835 N N . LEU C 2 28 ? 23.516 31.983 26.534 1.00 60.03 ? 9 LEU B N 1 ATOM 836 C CA . LEU C 2 28 ? 22.654 31.763 27.681 1.00 62.50 ? 9 LEU B CA 1 ATOM 837 C C . LEU C 2 28 ? 22.438 30.280 27.843 1.00 63.64 ? 9 LEU B C 1 ATOM 838 O O . LEU C 2 28 ? 21.791 29.670 26.983 1.00 62.17 ? 9 LEU B O 1 ATOM 839 C CB . LEU C 2 28 ? 21.282 32.423 27.469 1.00 63.37 ? 9 LEU B CB 1 ATOM 840 C CG . LEU C 2 28 ? 20.197 32.002 28.479 1.00 60.76 ? 9 LEU B CG 1 ATOM 841 C CD1 . LEU C 2 28 ? 20.607 32.443 29.858 1.00 63.25 ? 9 LEU B CD1 1 ATOM 842 C CD2 . LEU C 2 28 ? 18.867 32.639 28.138 1.00 62.63 ? 9 LEU B CD2 1 ATOM 843 N N . LEU C 2 29 ? 22.966 29.679 28.910 1.00 62.63 ? 10 LEU B N 1 ATOM 844 C CA . LEU C 2 29 ? 22.707 28.253 29.062 1.00 62.29 ? 10 LEU B CA 1 ATOM 845 C C . LEU C 2 29 ? 21.638 27.987 30.109 1.00 61.98 ? 10 LEU B C 1 ATOM 846 O O . LEU C 2 29 ? 21.528 28.696 31.120 1.00 60.01 ? 10 LEU B O 1 ATOM 847 C CB . LEU C 2 29 ? 23.980 27.464 29.382 1.00 63.40 ? 10 LEU B CB 1 ATOM 848 C CG . LEU C 2 29 ? 24.772 27.491 30.683 1.00 63.95 ? 10 LEU B CG 1 ATOM 849 C CD1 . LEU C 2 29 ? 23.930 27.788 31.914 1.00 64.15 ? 10 LEU B CD1 1 ATOM 850 C CD2 . LEU C 2 29 ? 25.403 26.120 30.789 1.00 62.46 ? 10 LEU B CD2 1 ATOM 851 N N . LYS C 2 30 ? 20.816 26.981 29.861 1.00 60.31 ? 11 LYS B N 1 ATOM 852 C CA . LYS C 2 30 ? 19.786 26.688 30.832 1.00 57.78 ? 11 LYS B CA 1 ATOM 853 C C . LYS C 2 30 ? 19.858 25.206 31.119 1.00 58.47 ? 11 LYS B C 1 ATOM 854 O O . LYS C 2 30 ? 19.918 24.385 30.201 1.00 58.94 ? 11 LYS B O 1 ATOM 855 C CB . LYS C 2 30 ? 18.395 27.046 30.290 1.00 57.72 ? 11 LYS B CB 1 ATOM 856 C CG . LYS C 2 30 ? 18.277 28.357 29.493 1.00 54.64 ? 11 LYS B CG 1 ATOM 857 C CD . LYS C 2 30 ? 16.908 28.419 28.791 1.00 52.61 ? 11 LYS B CD 1 ATOM 858 C CE . LYS C 2 30 ? 16.958 29.285 27.538 1.00 54.27 ? 11 LYS B CE 1 ATOM 859 N NZ . LYS C 2 30 ? 15.811 29.050 26.600 1.00 52.01 ? 11 LYS B NZ 1 ATOM 860 N N . ILE C 2 31 ? 19.907 24.856 32.395 1.00 59.38 ? 12 ILE B N 1 ATOM 861 C CA . ILE C 2 31 ? 19.940 23.452 32.770 1.00 58.69 ? 12 ILE B CA 1 ATOM 862 C C . ILE C 2 31 ? 18.693 23.134 33.589 1.00 63.39 ? 12 ILE B C 1 ATOM 863 O O . ILE C 2 31 ? 18.212 23.972 34.385 1.00 66.27 ? 12 ILE B O 1 ATOM 864 C CB . ILE C 2 31 ? 21.225 23.114 33.525 1.00 52.14 ? 12 ILE B CB 1 ATOM 865 C CG1 . ILE C 2 31 ? 22.341 22.822 32.520 1.00 47.37 ? 12 ILE B CG1 1 ATOM 866 C CG2 . ILE C 2 31 ? 20.997 21.888 34.428 1.00 55.86 ? 12 ILE B CG2 1 ATOM 867 C CD1 . ILE C 2 31 ? 22.287 23.703 31.264 1.00 48.07 ? 12 ILE B CD1 1 ATOM 868 N N . LYS C 2 32 ? 18.152 21.940 33.401 1.00 65.30 ? 13 LYS B N 1 ATOM 869 C CA . LYS C 2 32 ? 16.932 21.677 34.094 1.00 73.61 ? 13 LYS B CA 1 ATOM 870 C C . LYS C 2 32 ? 16.929 20.769 35.282 1.00 79.77 ? 13 LYS B C 1 ATOM 871 O O . LYS C 2 32 ? 17.640 19.751 35.348 1.00 81.35 ? 13 LYS B O 1 ATOM 872 C CB . LYS C 2 32 ? 15.876 21.211 33.116 1.00 75.34 ? 13 LYS B CB 1 ATOM 873 C CG . LYS C 2 32 ? 15.411 22.302 32.158 1.00 78.18 ? 13 LYS B CG 1 ATOM 874 C CD . LYS C 2 32 ? 15.989 22.129 30.747 1.00 84.95 ? 13 LYS B CD 1 ATOM 875 C CE . LYS C 2 32 ? 17.514 22.021 30.736 1.00 85.31 ? 13 LYS B CE 1 ATOM 876 N NZ . LYS C 2 32 ? 17.990 21.565 29.395 1.00 90.25 ? 13 LYS B NZ 1 ATOM 877 N N . LYS C 2 33 ? 16.110 21.196 36.236 1.00 85.04 ? 14 LYS B N 1 ATOM 878 C CA . LYS C 2 33 ? 15.895 20.486 37.465 1.00 89.80 ? 14 LYS B CA 1 ATOM 879 C C . LYS C 2 33 ? 15.947 18.983 37.200 1.00 92.43 ? 14 LYS B C 1 ATOM 880 O O . LYS C 2 33 ? 16.994 18.356 37.395 1.00 88.46 ? 14 LYS B O 1 ATOM 881 C CB . LYS C 2 33 ? 14.524 20.884 38.052 1.00 91.64 ? 14 LYS B CB 1 ATOM 882 C CG . LYS C 2 33 ? 13.368 20.718 37.046 1.00 91.35 ? 14 LYS B CG 1 ATOM 883 C CD . LYS C 2 33 ? 12.045 20.346 37.721 1.00 89.67 ? 14 LYS B CD 1 ATOM 884 C CE . LYS C 2 33 ? 11.008 19.991 36.645 1.00 90.68 ? 14 LYS B CE 1 ATOM 885 N NZ . LYS C 2 33 ? 9.667 19.680 37.251 1.00 83.71 ? 14 LYS B NZ 1 ATOM 886 N N . GLU C 2 34 ? 14.823 18.440 36.720 1.00 97.97 ? 15 GLU B N 1 ATOM 887 C CA . GLU C 2 34 ? 14.663 17.011 36.484 1.00 103.15 ? 15 GLU B CA 1 ATOM 888 C C . GLU C 2 34 ? 15.476 16.399 35.363 1.00 103.93 ? 15 GLU B C 1 ATOM 889 O O . GLU C 2 34 ? 15.774 15.201 35.396 1.00 104.95 ? 15 GLU B O 1 ATOM 890 C CB . GLU C 2 34 ? 13.196 16.669 36.267 1.00 106.91 ? 15 GLU B CB 1 ATOM 891 C CG . GLU C 2 34 ? 12.620 17.140 34.968 1.00 112.32 ? 15 GLU B CG 1 ATOM 892 C CD . GLU C 2 34 ? 11.417 16.319 34.607 1.00 115.73 ? 15 GLU B CD 1 ATOM 893 O OE1 . GLU C 2 34 ? 10.851 16.507 33.513 1.00 116.22 ? 15 GLU B OE1 1 ATOM 894 O OE2 . GLU C 2 34 ? 11.052 15.459 35.431 1.00 119.08 ? 15 GLU B OE2 1 ATOM 895 N N . ASP C 2 35 ? 15.862 17.207 34.385 1.00 103.73 ? 16 ASP B N 1 ATOM 896 C CA . ASP C 2 35 ? 16.647 16.678 33.282 1.00 103.88 ? 16 ASP B CA 1 ATOM 897 C C . ASP C 2 35 ? 18.084 16.326 33.651 1.00 104.08 ? 16 ASP B C 1 ATOM 898 O O . ASP C 2 35 ? 18.531 15.210 33.385 1.00 103.62 ? 16 ASP B O 1 ATOM 899 C CB . ASP C 2 35 ? 16.576 17.632 32.099 1.00 104.81 ? 16 ASP B CB 1 ATOM 900 C CG . ASP C 2 35 ? 15.203 17.625 31.462 1.00 104.47 ? 16 ASP B CG 1 ATOM 901 O OD1 . ASP C 2 35 ? 14.697 16.508 31.221 1.00 103.88 ? 16 ASP B OD1 1 ATOM 902 O OD2 . ASP C 2 35 ? 14.637 18.715 31.212 1.00 103.64 ? 16 ASP B OD2 1 ATOM 903 N N . TYR C 2 36 ? 18.798 17.242 34.291 1.00 103.01 ? 17 TYR B N 1 ATOM 904 C CA . TYR C 2 36 ? 20.174 16.965 34.683 1.00 101.65 ? 17 TYR B CA 1 ATOM 905 C C . TYR C 2 36 ? 20.348 17.579 36.059 1.00 97.48 ? 17 TYR B C 1 ATOM 906 O O . TYR C 2 36 ? 20.785 18.718 36.192 1.00 97.56 ? 17 TYR B O 1 ATOM 907 C CB . TYR C 2 36 ? 21.171 17.586 33.694 1.00 106.73 ? 17 TYR B CB 1 ATOM 908 C CG . TYR C 2 36 ? 20.715 17.618 32.238 1.00 111.76 ? 17 TYR B CG 1 ATOM 909 C CD1 . TYR C 2 36 ? 19.831 18.598 31.782 1.00 114.40 ? 17 TYR B CD1 1 ATOM 910 C CD2 . TYR C 2 36 ? 21.202 16.693 31.308 1.00 113.07 ? 17 TYR B CD2 1 ATOM 911 C CE1 . TYR C 2 36 ? 19.458 18.656 30.439 1.00 114.90 ? 17 TYR B CE1 1 ATOM 912 C CE2 . TYR C 2 36 ? 20.830 16.746 29.976 1.00 114.00 ? 17 TYR B CE2 1 ATOM 913 C CZ . TYR C 2 36 ? 19.963 17.725 29.549 1.00 115.68 ? 17 TYR B CZ 1 ATOM 914 O OH . TYR C 2 36 ? 19.607 17.780 28.225 1.00 116.59 ? 17 TYR B OH 1 ATOM 915 N N . PRO C 2 37 ? 20.001 16.818 37.109 1.00 91.27 ? 18 PRO B N 1 ATOM 916 C CA . PRO C 2 37 ? 20.082 17.220 38.511 1.00 87.37 ? 18 PRO B CA 1 ATOM 917 C C . PRO C 2 37 ? 21.460 17.654 39.011 1.00 84.60 ? 18 PRO B C 1 ATOM 918 O O . PRO C 2 37 ? 21.641 18.792 39.459 1.00 84.20 ? 18 PRO B O 1 ATOM 919 C CB . PRO C 2 37 ? 19.586 15.978 39.241 1.00 85.46 ? 18 PRO B CB 1 ATOM 920 C CG . PRO C 2 37 ? 20.116 14.896 38.412 1.00 86.50 ? 18 PRO B CG 1 ATOM 921 C CD . PRO C 2 37 ? 19.731 15.372 37.027 1.00 88.79 ? 18 PRO B CD 1 ATOM 922 N N . GLN C 2 38 ? 22.427 16.745 38.948 1.00 81.05 ? 19 GLN B N 1 ATOM 923 C CA . GLN C 2 38 ? 23.771 17.036 39.430 1.00 79.36 ? 19 GLN B CA 1 ATOM 924 C C . GLN C 2 38 ? 24.410 18.298 38.836 1.00 75.84 ? 19 GLN B C 1 ATOM 925 O O . GLN C 2 38 ? 24.904 19.156 39.591 1.00 71.70 ? 19 GLN B O 1 ATOM 926 C CB . GLN C 2 38 ? 24.649 15.817 39.218 1.00 80.60 ? 19 GLN B CB 1 ATOM 927 C CG . GLN C 2 38 ? 23.977 14.751 38.420 1.00 86.50 ? 19 GLN B CG 1 ATOM 928 C CD . GLN C 2 38 ? 24.642 13.403 38.576 1.00 94.13 ? 19 GLN B CD 1 ATOM 929 O OE1 . GLN C 2 38 ? 24.501 12.524 37.712 1.00 99.24 ? 19 GLN B OE1 1 ATOM 930 N NE2 . GLN C 2 38 ? 25.361 13.220 39.683 1.00 95.77 ? 19 GLN B NE2 1 ATOM 931 N N . ILE C 2 39 ? 24.404 18.417 37.504 1.00 73.65 ? 20 ILE B N 1 ATOM 932 C CA . ILE C 2 39 ? 24.950 19.612 36.847 1.00 68.36 ? 20 ILE B CA 1 ATOM 933 C C . ILE C 2 39 ? 24.145 20.786 37.359 1.00 69.02 ? 20 ILE B C 1 ATOM 934 O O . ILE C 2 39 ? 24.668 21.873 37.561 1.00 70.81 ? 20 ILE B O 1 ATOM 935 C CB . ILE C 2 39 ? 24.761 19.589 35.331 1.00 64.52 ? 20 ILE B CB 1 ATOM 936 C CG1 . ILE C 2 39 ? 25.593 18.468 34.733 1.00 58.70 ? 20 ILE B CG1 1 ATOM 937 C CG2 . ILE C 2 39 ? 25.159 20.942 34.723 1.00 62.62 ? 20 ILE B CG2 1 ATOM 938 C CD1 . ILE C 2 39 ? 25.411 18.335 33.254 1.00 53.32 ? 20 ILE B CD1 1 ATOM 939 N N . PHE C 2 40 ? 22.849 20.573 37.543 1.00 72.73 ? 21 PHE B N 1 ATOM 940 C CA . PHE C 2 40 ? 22.012 21.644 38.062 1.00 72.36 ? 21 PHE B CA 1 ATOM 941 C C . PHE C 2 40 ? 22.513 21.978 39.472 1.00 69.49 ? 21 PHE B C 1 ATOM 942 O O . PHE C 2 40 ? 22.936 23.097 39.736 1.00 66.09 ? 21 PHE B O 1 ATOM 943 C CB . PHE C 2 40 ? 20.539 21.219 38.083 1.00 72.33 ? 21 PHE B CB 1 ATOM 944 C CG . PHE C 2 40 ? 19.640 22.196 38.778 1.00 75.10 ? 21 PHE B CG 1 ATOM 945 C CD1 . PHE C 2 40 ? 19.534 22.194 40.169 1.00 75.49 ? 21 PHE B CD1 1 ATOM 946 C CD2 . PHE C 2 40 ? 18.921 23.148 38.051 1.00 77.92 ? 21 PHE B CD2 1 ATOM 947 C CE1 . PHE C 2 40 ? 18.720 23.136 40.839 1.00 77.06 ? 21 PHE B CE1 1 ATOM 948 C CE2 . PHE C 2 40 ? 18.106 24.092 38.712 1.00 78.12 ? 21 PHE B CE2 1 ATOM 949 C CZ . PHE C 2 40 ? 18.010 24.080 40.111 1.00 75.14 ? 21 PHE B CZ 1 ATOM 950 N N . ASP C 2 41 ? 22.516 21.011 40.374 1.00 70.20 ? 22 ASP B N 1 ATOM 951 C CA . ASP C 2 41 ? 22.983 21.323 41.711 1.00 72.41 ? 22 ASP B CA 1 ATOM 952 C C . ASP C 2 41 ? 24.347 22.009 41.679 1.00 70.93 ? 22 ASP B C 1 ATOM 953 O O . ASP C 2 41 ? 24.558 23.011 42.369 1.00 72.01 ? 22 ASP B O 1 ATOM 954 C CB . ASP C 2 41 ? 23.055 20.062 42.578 1.00 78.53 ? 22 ASP B CB 1 ATOM 955 C CG . ASP C 2 41 ? 23.180 20.386 44.067 1.00 84.75 ? 22 ASP B CG 1 ATOM 956 O OD1 . ASP C 2 41 ? 22.274 21.063 44.615 1.00 90.26 ? 22 ASP B OD1 1 ATOM 957 O OD2 . ASP C 2 41 ? 24.182 19.973 44.692 1.00 85.30 ? 22 ASP B OD2 1 ATOM 958 N N . PHE C 2 42 ? 25.277 21.483 40.883 1.00 68.09 ? 23 PHE B N 1 ATOM 959 C CA . PHE C 2 42 ? 26.602 22.088 40.820 1.00 62.55 ? 23 PHE B CA 1 ATOM 960 C C . PHE C 2 42 ? 26.555 23.594 40.603 1.00 62.67 ? 23 PHE B C 1 ATOM 961 O O . PHE C 2 42 ? 27.030 24.355 41.435 1.00 61.47 ? 23 PHE B O 1 ATOM 962 C CB . PHE C 2 42 ? 27.451 21.474 39.714 1.00 59.83 ? 23 PHE B CB 1 ATOM 963 C CG . PHE C 2 42 ? 28.756 22.191 39.516 1.00 58.67 ? 23 PHE B CG 1 ATOM 964 C CD1 . PHE C 2 42 ? 29.667 22.291 40.573 1.00 52.91 ? 23 PHE B CD1 1 ATOM 965 C CD2 . PHE C 2 42 ? 29.047 22.853 38.316 1.00 58.53 ? 23 PHE B CD2 1 ATOM 966 C CE1 . PHE C 2 42 ? 30.835 23.046 40.458 1.00 47.68 ? 23 PHE B CE1 1 ATOM 967 C CE2 . PHE C 2 42 ? 30.230 23.618 38.191 1.00 55.03 ? 23 PHE B CE2 1 ATOM 968 C CZ . PHE C 2 42 ? 31.124 23.711 39.273 1.00 49.97 ? 23 PHE B CZ 1 ATOM 969 N N . LEU C 2 43 ? 26.002 24.017 39.474 1.00 65.23 ? 24 LEU B N 1 ATOM 970 C CA . LEU C 2 43 ? 25.897 25.438 39.144 1.00 71.43 ? 24 LEU B CA 1 ATOM 971 C C . LEU C 2 43 ? 25.210 26.220 40.246 1.00 75.22 ? 24 LEU B C 1 ATOM 972 O O . LEU C 2 43 ? 25.546 27.377 40.515 1.00 78.86 ? 24 LEU B O 1 ATOM 973 C CB . LEU C 2 43 ? 25.070 25.665 37.868 1.00 74.87 ? 24 LEU B CB 1 ATOM 974 C CG . LEU C 2 43 ? 25.656 25.630 36.454 1.00 77.55 ? 24 LEU B CG 1 ATOM 975 C CD1 . LEU C 2 43 ? 26.940 26.429 36.463 1.00 77.70 ? 24 LEU B CD1 1 ATOM 976 C CD2 . LEU C 2 43 ? 25.898 24.206 35.980 1.00 77.57 ? 24 LEU B CD2 1 ATOM 977 N N . GLU C 2 44 ? 24.227 25.600 40.877 1.00 74.73 ? 25 GLU B N 1 ATOM 978 C CA . GLU C 2 44 ? 23.499 26.291 41.913 1.00 75.71 ? 25 GLU B CA 1 ATOM 979 C C . GLU C 2 44 ? 24.210 26.435 43.259 1.00 76.84 ? 25 GLU B C 1 ATOM 980 O O . GLU C 2 44 ? 23.714 27.137 44.133 1.00 80.62 ? 25 GLU B O 1 ATOM 981 C CB . GLU C 2 44 ? 22.140 25.626 42.098 1.00 78.06 ? 25 GLU B CB 1 ATOM 982 C CG . GLU C 2 44 ? 21.139 25.918 40.990 1.00 82.43 ? 25 GLU B CG 1 ATOM 983 C CD . GLU C 2 44 ? 20.390 27.236 41.184 1.00 86.61 ? 25 GLU B CD 1 ATOM 984 O OE1 . GLU C 2 44 ? 20.179 27.938 40.171 1.00 94.71 ? 25 GLU B OE1 1 ATOM 985 O OE2 . GLU C 2 44 ? 19.998 27.570 42.328 1.00 84.70 ? 25 GLU B OE2 1 ATOM 986 N N . ASN C 2 45 ? 25.360 25.803 43.452 1.00 74.75 ? 26 ASN B N 1 ATOM 987 C CA . ASN C 2 45 ? 26.034 25.948 44.737 1.00 76.43 ? 26 ASN B CA 1 ATOM 988 C C . ASN C 2 45 ? 27.431 26.559 44.627 1.00 76.38 ? 26 ASN B C 1 ATOM 989 O O . ASN C 2 45 ? 28.048 26.938 45.630 1.00 75.58 ? 26 ASN B O 1 ATOM 990 C CB . ASN C 2 45 ? 26.087 24.604 45.441 1.00 79.50 ? 26 ASN B CB 1 ATOM 991 C CG . ASN C 2 45 ? 24.731 23.938 45.509 1.00 82.46 ? 26 ASN B CG 1 ATOM 992 O OD1 . ASN C 2 45 ? 23.756 24.526 45.974 1.00 84.66 ? 26 ASN B OD1 1 ATOM 993 N ND2 . ASN C 2 45 ? 24.660 22.700 45.041 1.00 86.00 ? 26 ASN B ND2 1 ATOM 994 N N . VAL C 2 46 ? 27.930 26.641 43.400 1.00 74.92 ? 27 VAL B N 1 ATOM 995 C CA . VAL C 2 46 ? 29.229 27.241 43.151 1.00 72.98 ? 27 VAL B CA 1 ATOM 996 C C . VAL C 2 46 ? 29.109 28.668 43.701 1.00 69.92 ? 27 VAL B C 1 ATOM 997 O O . VAL C 2 46 ? 28.074 29.309 43.516 1.00 69.60 ? 27 VAL B O 1 ATOM 998 C CB . VAL C 2 46 ? 29.535 27.266 41.621 1.00 73.19 ? 27 VAL B CB 1 ATOM 999 C CG1 . VAL C 2 46 ? 28.437 27.998 40.864 1.00 73.02 ? 27 VAL B CG1 1 ATOM 1000 C CG2 . VAL C 2 46 ? 30.838 27.962 41.367 1.00 75.37 ? 27 VAL B CG2 1 ATOM 1001 N N . PRO C 2 47 ? 30.144 29.172 44.406 1.00 65.81 ? 28 PRO B N 1 ATOM 1002 C CA . PRO C 2 47 ? 30.095 30.526 44.961 1.00 63.59 ? 28 PRO B CA 1 ATOM 1003 C C . PRO C 2 47 ? 29.986 31.548 43.858 1.00 65.41 ? 28 PRO B C 1 ATOM 1004 O O . PRO C 2 47 ? 30.775 31.535 42.913 1.00 63.61 ? 28 PRO B O 1 ATOM 1005 C CB . PRO C 2 47 ? 31.406 30.638 45.733 1.00 56.86 ? 28 PRO B CB 1 ATOM 1006 C CG . PRO C 2 47 ? 32.296 29.830 44.961 1.00 62.56 ? 28 PRO B CG 1 ATOM 1007 C CD . PRO C 2 47 ? 31.471 28.591 44.645 1.00 66.39 ? 28 PRO B CD 1 ATOM 1008 N N . ARG C 2 48 ? 29.004 32.437 43.983 1.00 67.94 ? 29 ARG B N 1 ATOM 1009 C CA . ARG C 2 48 ? 28.792 33.437 42.960 1.00 71.10 ? 29 ARG B CA 1 ATOM 1010 C C . ARG C 2 48 ? 29.963 34.385 42.765 1.00 67.84 ? 29 ARG B C 1 ATOM 1011 O O . ARG C 2 48 ? 30.329 35.152 43.633 1.00 65.82 ? 29 ARG B O 1 ATOM 1012 C CB . ARG C 2 48 ? 27.507 34.208 43.214 1.00 78.01 ? 29 ARG B CB 1 ATOM 1013 C CG . ARG C 2 48 ? 27.463 34.947 44.502 1.00 90.60 ? 29 ARG B CG 1 ATOM 1014 C CD . ARG C 2 48 ? 26.410 36.029 44.383 1.00 100.63 ? 29 ARG B CD 1 ATOM 1015 N NE . ARG C 2 48 ? 26.861 37.095 43.491 1.00 110.95 ? 29 ARG B NE 1 ATOM 1016 C CZ . ARG C 2 48 ? 26.051 37.891 42.800 1.00 114.54 ? 29 ARG B CZ 1 ATOM 1017 N NH1 . ARG C 2 48 ? 24.734 37.739 42.888 1.00 114.63 ? 29 ARG B NH1 1 ATOM 1018 N NH2 . ARG C 2 48 ? 26.561 38.852 42.034 1.00 118.49 ? 29 ARG B NH2 1 ATOM 1019 N N . GLY C 2 49 ? 30.524 34.307 41.568 1.00 67.37 ? 30 GLY B N 1 ATOM 1020 C CA . GLY C 2 49 ? 31.666 35.095 41.185 1.00 64.42 ? 30 GLY B CA 1 ATOM 1021 C C . GLY C 2 49 ? 32.659 34.129 40.584 1.00 66.17 ? 30 GLY B C 1 ATOM 1022 O O . GLY C 2 49 ? 33.675 34.546 40.039 1.00 66.25 ? 30 GLY B O 1 ATOM 1023 N N . THR C 2 50 ? 32.354 32.829 40.675 1.00 67.18 ? 31 THR B N 1 ATOM 1024 C CA . THR C 2 50 ? 33.236 31.766 40.165 1.00 65.29 ? 31 THR B CA 1 ATOM 1025 C C . THR C 2 50 ? 32.587 30.907 39.082 1.00 67.35 ? 31 THR B C 1 ATOM 1026 O O . THR C 2 50 ? 33.255 30.074 38.446 1.00 69.15 ? 31 THR B O 1 ATOM 1027 C CB . THR C 2 50 ? 33.665 30.786 41.278 1.00 60.43 ? 31 THR B CB 1 ATOM 1028 O OG1 . THR C 2 50 ? 34.241 31.537 42.336 1.00 61.83 ? 31 THR B OG1 1 ATOM 1029 C CG2 . THR C 2 50 ? 34.710 29.790 40.799 1.00 61.13 ? 31 THR B CG2 1 ATOM 1030 N N . LYS C 2 51 ? 31.294 31.114 38.865 1.00 67.25 ? 32 LYS B N 1 ATOM 1031 C CA . LYS C 2 51 ? 30.557 30.327 37.891 1.00 67.64 ? 32 LYS B CA 1 ATOM 1032 C C . LYS C 2 51 ? 31.215 30.273 36.518 1.00 65.46 ? 32 LYS B C 1 ATOM 1033 O O . LYS C 2 51 ? 31.626 29.212 36.062 1.00 64.00 ? 32 LYS B O 1 ATOM 1034 C CB . LYS C 2 51 ? 29.140 30.872 37.791 1.00 72.37 ? 32 LYS B CB 1 ATOM 1035 C CG . LYS C 2 51 ? 28.091 29.785 37.624 1.00 78.18 ? 32 LYS B CG 1 ATOM 1036 C CD . LYS C 2 51 ? 26.676 30.330 37.760 1.00 79.43 ? 32 LYS B CD 1 ATOM 1037 C CE . LYS C 2 51 ? 25.644 29.211 37.632 1.00 79.65 ? 32 LYS B CE 1 ATOM 1038 N NZ . LYS C 2 51 ? 24.253 29.735 37.796 1.00 82.14 ? 32 LYS B NZ 1 ATOM 1039 N N . THR C 2 52 ? 31.304 31.419 35.864 1.00 63.43 ? 33 THR B N 1 ATOM 1040 C CA . THR C 2 52 ? 31.927 31.496 34.551 1.00 61.43 ? 33 THR B CA 1 ATOM 1041 C C . THR C 2 52 ? 33.304 30.821 34.576 1.00 60.52 ? 33 THR B C 1 ATOM 1042 O O . THR C 2 52 ? 33.652 30.059 33.662 1.00 57.53 ? 33 THR B O 1 ATOM 1043 C CB . THR C 2 52 ? 32.084 32.973 34.117 1.00 61.76 ? 33 THR B CB 1 ATOM 1044 O OG1 . THR C 2 52 ? 30.780 33.542 33.910 1.00 65.71 ? 33 THR B OG1 1 ATOM 1045 C CG2 . THR C 2 52 ? 32.905 33.089 32.843 1.00 53.60 ? 33 THR B CG2 1 ATOM 1046 N N . ALA C 2 53 ? 34.071 31.088 35.634 1.00 58.16 ? 34 ALA B N 1 ATOM 1047 C CA . ALA C 2 53 ? 35.412 30.519 35.782 1.00 56.45 ? 34 ALA B CA 1 ATOM 1048 C C . ALA C 2 53 ? 35.380 29.011 35.567 1.00 55.30 ? 34 ALA B C 1 ATOM 1049 O O . ALA C 2 53 ? 36.188 28.456 34.817 1.00 56.68 ? 34 ALA B O 1 ATOM 1050 C CB . ALA C 2 53 ? 35.952 30.818 37.149 1.00 55.88 ? 34 ALA B CB 1 ATOM 1051 N N . HIS C 2 54 ? 34.455 28.349 36.251 1.00 53.93 ? 35 HIS B N 1 ATOM 1052 C CA . HIS C 2 54 ? 34.299 26.907 36.119 1.00 53.97 ? 35 HIS B CA 1 ATOM 1053 C C . HIS C 2 54 ? 33.922 26.497 34.708 1.00 55.09 ? 35 HIS B C 1 ATOM 1054 O O . HIS C 2 54 ? 34.667 25.807 34.025 1.00 56.79 ? 35 HIS B O 1 ATOM 1055 C CB . HIS C 2 54 ? 33.211 26.434 37.048 1.00 53.72 ? 35 HIS B CB 1 ATOM 1056 C CG . HIS C 2 54 ? 33.625 26.397 38.472 1.00 57.46 ? 35 HIS B CG 1 ATOM 1057 N ND1 . HIS C 2 54 ? 34.497 25.444 38.966 1.00 61.96 ? 35 HIS B ND1 1 ATOM 1058 C CD2 . HIS C 2 54 ? 33.297 27.187 39.514 1.00 57.85 ? 35 HIS B CD2 1 ATOM 1059 C CE1 . HIS C 2 54 ? 34.680 25.651 40.255 1.00 62.40 ? 35 HIS B CE1 1 ATOM 1060 N NE2 . HIS C 2 54 ? 33.964 26.702 40.617 1.00 63.75 ? 35 HIS B NE2 1 ATOM 1061 N N . ILE C 2 55 ? 32.732 26.911 34.294 1.00 54.27 ? 36 ILE B N 1 ATOM 1062 C CA . ILE C 2 55 ? 32.223 26.592 32.974 1.00 54.34 ? 36 ILE B CA 1 ATOM 1063 C C . ILE C 2 55 ? 33.428 26.661 32.039 1.00 53.10 ? 36 ILE B C 1 ATOM 1064 O O . ILE C 2 55 ? 33.712 25.729 31.277 1.00 53.85 ? 36 ILE B O 1 ATOM 1065 C CB . ILE C 2 55 ? 31.140 27.617 32.567 1.00 54.31 ? 36 ILE B CB 1 ATOM 1066 C CG1 . ILE C 2 55 ? 30.071 27.692 33.651 1.00 53.22 ? 36 ILE B CG1 1 ATOM 1067 C CG2 . ILE C 2 55 ? 30.482 27.221 31.262 1.00 55.83 ? 36 ILE B CG2 1 ATOM 1068 C CD1 . ILE C 2 55 ? 29.009 28.724 33.346 1.00 53.66 ? 36 ILE B CD1 1 ATOM 1069 N N . ARG C 2 56 ? 34.155 27.763 32.144 1.00 52.82 ? 37 ARG B N 1 ATOM 1070 C CA . ARG C 2 56 ? 35.347 27.990 31.343 1.00 55.62 ? 37 ARG B CA 1 ATOM 1071 C C . ARG C 2 56 ? 36.387 26.884 31.546 1.00 57.08 ? 37 ARG B C 1 ATOM 1072 O O . ARG C 2 56 ? 36.997 26.384 30.615 1.00 59.44 ? 37 ARG B O 1 ATOM 1073 C CB . ARG C 2 56 ? 35.947 29.325 31.736 1.00 54.84 ? 37 ARG B CB 1 ATOM 1074 C CG . ARG C 2 56 ? 36.814 29.927 30.693 1.00 56.30 ? 37 ARG B CG 1 ATOM 1075 C CD . ARG C 2 56 ? 37.192 31.332 31.087 1.00 62.45 ? 37 ARG B CD 1 ATOM 1076 N NE . ARG C 2 56 ? 36.204 31.921 31.977 1.00 71.13 ? 37 ARG B NE 1 ATOM 1077 C CZ . ARG C 2 56 ? 36.507 32.647 33.051 1.00 78.98 ? 37 ARG B CZ 1 ATOM 1078 N NH1 . ARG C 2 56 ? 37.775 32.881 33.368 1.00 81.97 ? 37 ARG B NH1 1 ATOM 1079 N NH2 . ARG C 2 56 ? 35.539 33.118 33.829 1.00 85.11 ? 37 ARG B NH2 1 ATOM 1080 N N . GLU C 2 57 ? 36.607 26.513 32.786 1.00 56.38 ? 38 GLU B N 1 ATOM 1081 C CA . GLU C 2 57 ? 37.553 25.464 33.058 1.00 56.93 ? 38 GLU B CA 1 ATOM 1082 C C . GLU C 2 57 ? 37.052 24.155 32.467 1.00 56.70 ? 38 GLU B C 1 ATOM 1083 O O . GLU C 2 57 ? 37.758 23.505 31.704 1.00 60.26 ? 38 GLU B O 1 ATOM 1084 C CB . GLU C 2 57 ? 37.714 25.300 34.553 1.00 64.32 ? 38 GLU B CB 1 ATOM 1085 C CG . GLU C 2 57 ? 39.124 25.053 34.960 1.00 72.42 ? 38 GLU B CG 1 ATOM 1086 C CD . GLU C 2 57 ? 39.700 23.859 34.273 1.00 78.03 ? 38 GLU B CD 1 ATOM 1087 O OE1 . GLU C 2 57 ? 40.016 23.950 33.062 1.00 83.47 ? 38 GLU B OE1 1 ATOM 1088 O OE2 . GLU C 2 57 ? 39.825 22.825 34.957 1.00 81.33 ? 38 GLU B OE2 1 ATOM 1089 N N . ALA C 2 58 ? 35.830 23.771 32.828 1.00 54.58 ? 39 ALA B N 1 ATOM 1090 C CA . ALA C 2 58 ? 35.227 22.536 32.343 1.00 52.71 ? 39 ALA B CA 1 ATOM 1091 C C . ALA C 2 58 ? 35.408 22.462 30.829 1.00 53.93 ? 39 ALA B C 1 ATOM 1092 O O . ALA C 2 58 ? 35.618 21.394 30.251 1.00 52.58 ? 39 ALA B O 1 ATOM 1093 C CB . ALA C 2 58 ? 33.740 22.500 32.713 1.00 49.64 ? 39 ALA B CB 1 ATOM 1094 N N . LEU C 2 59 ? 35.335 23.614 30.186 1.00 55.03 ? 40 LEU B N 1 ATOM 1095 C CA . LEU C 2 59 ? 35.515 23.644 28.758 1.00 59.15 ? 40 LEU B CA 1 ATOM 1096 C C . LEU C 2 59 ? 36.994 23.455 28.414 1.00 65.65 ? 40 LEU B C 1 ATOM 1097 O O . LEU C 2 59 ? 37.356 22.606 27.589 1.00 65.58 ? 40 LEU B O 1 ATOM 1098 C CB . LEU C 2 59 ? 34.982 24.965 28.199 1.00 54.51 ? 40 LEU B CB 1 ATOM 1099 C CG . LEU C 2 59 ? 33.447 25.012 28.119 1.00 52.72 ? 40 LEU B CG 1 ATOM 1100 C CD1 . LEU C 2 59 ? 32.979 26.368 27.604 1.00 49.27 ? 40 LEU B CD1 1 ATOM 1101 C CD2 . LEU C 2 59 ? 32.963 23.908 27.197 1.00 43.67 ? 40 LEU B CD2 1 ATOM 1102 N N . ARG C 2 60 ? 37.851 24.225 29.077 1.00 70.63 ? 41 ARG B N 1 ATOM 1103 C CA . ARG C 2 60 ? 39.287 24.152 28.827 1.00 74.84 ? 41 ARG B CA 1 ATOM 1104 C C . ARG C 2 60 ? 39.748 22.706 28.707 1.00 74.98 ? 41 ARG B C 1 ATOM 1105 O O . ARG C 2 60 ? 40.487 22.354 27.785 1.00 75.50 ? 41 ARG B O 1 ATOM 1106 C CB . ARG C 2 60 ? 40.067 24.846 29.942 1.00 78.78 ? 41 ARG B CB 1 ATOM 1107 C CG . ARG C 2 60 ? 41.339 25.508 29.456 1.00 88.80 ? 41 ARG B CG 1 ATOM 1108 C CD . ARG C 2 60 ? 41.062 26.308 28.162 1.00 99.67 ? 41 ARG B CD 1 ATOM 1109 N NE . ARG C 2 60 ? 41.931 27.477 27.948 1.00 106.42 ? 41 ARG B NE 1 ATOM 1110 C CZ . ARG C 2 60 ? 41.781 28.391 26.977 1.00 109.43 ? 41 ARG B CZ 1 ATOM 1111 N NH1 . ARG C 2 60 ? 40.797 28.320 26.089 1.00 109.65 ? 41 ARG B NH1 1 ATOM 1112 N NH2 . ARG C 2 60 ? 42.627 29.402 26.895 1.00 112.04 ? 41 ARG B NH2 1 ATOM 1113 N N . ARG C 2 61 ? 39.300 21.869 29.632 1.00 72.37 ? 42 ARG B N 1 ATOM 1114 C CA . ARG C 2 61 ? 39.678 20.473 29.610 1.00 71.30 ? 42 ARG B CA 1 ATOM 1115 C C . ARG C 2 61 ? 38.905 19.753 28.555 1.00 73.49 ? 42 ARG B C 1 ATOM 1116 O O . ARG C 2 61 ? 39.493 19.119 27.704 1.00 78.72 ? 42 ARG B O 1 ATOM 1117 C CB . ARG C 2 61 ? 39.380 19.799 30.922 1.00 69.91 ? 42 ARG B CB 1 ATOM 1118 C CG . ARG C 2 61 ? 39.916 20.507 32.116 1.00 67.92 ? 42 ARG B CG 1 ATOM 1119 C CD . ARG C 2 61 ? 39.402 19.784 33.332 1.00 68.58 ? 42 ARG B CD 1 ATOM 1120 N NE . ARG C 2 61 ? 39.755 20.456 34.565 1.00 68.87 ? 42 ARG B NE 1 ATOM 1121 C CZ . ARG C 2 61 ? 39.409 20.021 35.767 1.00 70.18 ? 42 ARG B CZ 1 ATOM 1122 N NH1 . ARG C 2 61 ? 38.695 18.906 35.875 1.00 68.37 ? 42 ARG B NH1 1 ATOM 1123 N NH2 . ARG C 2 61 ? 39.783 20.699 36.851 1.00 72.36 ? 42 ARG B NH2 1 ATOM 1124 N N . TYR C 2 62 ? 37.578 19.834 28.617 1.00 74.10 ? 43 TYR B N 1 ATOM 1125 C CA . TYR C 2 62 ? 36.723 19.156 27.632 1.00 69.58 ? 43 TYR B CA 1 ATOM 1126 C C . TYR C 2 62 ? 37.311 19.319 26.229 1.00 65.53 ? 43 TYR B C 1 ATOM 1127 O O . TYR C 2 62 ? 37.132 18.458 25.371 1.00 61.02 ? 43 TYR B O 1 ATOM 1128 C CB . TYR C 2 62 ? 35.292 19.726 27.672 1.00 67.89 ? 43 TYR B CB 1 ATOM 1129 C CG . TYR C 2 62 ? 34.342 19.107 26.662 1.00 67.18 ? 43 TYR B CG 1 ATOM 1130 C CD1 . TYR C 2 62 ? 33.647 19.903 25.747 1.00 66.77 ? 43 TYR B CD1 1 ATOM 1131 C CD2 . TYR C 2 62 ? 34.138 17.725 26.611 1.00 63.92 ? 43 TYR B CD2 1 ATOM 1132 C CE1 . TYR C 2 62 ? 32.759 19.335 24.794 1.00 64.83 ? 43 TYR B CE1 1 ATOM 1133 C CE2 . TYR C 2 62 ? 33.259 17.147 25.669 1.00 56.76 ? 43 TYR B CE2 1 ATOM 1134 C CZ . TYR C 2 62 ? 32.574 17.958 24.769 1.00 62.72 ? 43 TYR B CZ 1 ATOM 1135 O OH . TYR C 2 62 ? 31.668 17.420 23.875 1.00 62.60 ? 43 TYR B OH 1 ATOM 1136 N N . ILE C 2 63 ? 38.039 20.410 26.011 1.00 63.29 ? 44 ILE B N 1 ATOM 1137 C CA . ILE C 2 63 ? 38.613 20.632 24.708 1.00 63.12 ? 44 ILE B CA 1 ATOM 1138 C C . ILE C 2 63 ? 39.862 19.838 24.450 1.00 65.20 ? 44 ILE B C 1 ATOM 1139 O O . ILE C 2 63 ? 39.902 19.096 23.491 1.00 66.54 ? 44 ILE B O 1 ATOM 1140 C CB . ILE C 2 63 ? 38.897 22.103 24.449 1.00 59.62 ? 44 ILE B CB 1 ATOM 1141 C CG1 . ILE C 2 63 ? 37.603 22.908 24.599 1.00 55.85 ? 44 ILE B CG1 1 ATOM 1142 C CG2 . ILE C 2 63 ? 39.401 22.266 23.041 1.00 58.25 ? 44 ILE B CG2 1 ATOM 1143 C CD1 . ILE C 2 63 ? 37.633 24.260 23.965 1.00 55.85 ? 44 ILE B CD1 1 ATOM 1144 N N . GLU C 2 64 ? 40.887 19.987 25.275 1.00 70.41 ? 45 GLU B N 1 ATOM 1145 C CA . GLU C 2 64 ? 42.107 19.206 25.066 1.00 78.63 ? 45 GLU B CA 1 ATOM 1146 C C . GLU C 2 64 ? 41.727 17.731 25.051 1.00 77.78 ? 45 GLU B C 1 ATOM 1147 O O . GLU C 2 64 ? 42.142 16.971 24.183 1.00 77.83 ? 45 GLU B O 1 ATOM 1148 C CB . GLU C 2 64 ? 43.119 19.468 26.186 1.00 88.28 ? 45 GLU B CB 1 ATOM 1149 C CG . GLU C 2 64 ? 42.552 19.335 27.601 1.00 103.35 ? 45 GLU B CG 1 ATOM 1150 C CD . GLU C 2 64 ? 43.197 20.309 28.587 1.00 113.37 ? 45 GLU B CD 1 ATOM 1151 O OE1 . GLU C 2 64 ? 42.768 20.357 29.769 1.00 119.35 ? 45 GLU B OE1 1 ATOM 1152 O OE2 . GLU C 2 64 ? 44.133 21.034 28.174 1.00 117.56 ? 45 GLU B OE2 1 ATOM 1153 N N . GLU C 2 65 ? 40.912 17.359 26.026 1.00 77.59 ? 46 GLU B N 1 ATOM 1154 C CA . GLU C 2 65 ? 40.407 16.008 26.209 1.00 79.04 ? 46 GLU B CA 1 ATOM 1155 C C . GLU C 2 65 ? 39.548 15.659 24.993 1.00 77.55 ? 46 GLU B C 1 ATOM 1156 O O . GLU C 2 65 ? 38.513 15.007 25.119 1.00 79.45 ? 46 GLU B O 1 ATOM 1157 C CB . GLU C 2 65 ? 39.548 15.980 27.478 1.00 84.48 ? 46 GLU B CB 1 ATOM 1158 C CG . GLU C 2 65 ? 39.150 14.603 27.986 1.00 92.71 ? 46 GLU B CG 1 ATOM 1159 C CD . GLU C 2 65 ? 37.890 14.653 28.863 1.00 94.94 ? 46 GLU B CD 1 ATOM 1160 O OE1 . GLU C 2 65 ? 36.823 15.031 28.319 1.00 95.73 ? 46 GLU B OE1 1 ATOM 1161 O OE2 . GLU C 2 65 ? 37.963 14.323 30.079 1.00 94.51 ? 46 GLU B OE2 1 ATOM 1162 N N . ILE C 2 66 ? 39.973 16.119 23.820 1.00 74.10 ? 47 ILE B N 1 ATOM 1163 C CA . ILE C 2 66 ? 39.280 15.874 22.545 1.00 73.54 ? 47 ILE B CA 1 ATOM 1164 C C . ILE C 2 66 ? 40.291 16.067 21.414 1.00 77.69 ? 47 ILE B C 1 ATOM 1165 O O . ILE C 2 66 ? 40.934 15.058 21.033 1.00 79.14 ? 47 ILE B O 1 ATOM 1166 C CB . ILE C 2 66 ? 38.100 16.877 22.285 1.00 67.76 ? 47 ILE B CB 1 ATOM 1167 C CG1 . ILE C 2 66 ? 36.845 16.457 23.064 1.00 67.04 ? 47 ILE B CG1 1 ATOM 1168 C CG2 . ILE C 2 66 ? 37.801 16.954 20.795 1.00 64.12 ? 47 ILE B CG2 1 ATOM 1169 C CD1 . ILE C 2 66 ? 35.590 17.223 22.669 1.00 65.39 ? 47 ILE B CD1 1 HETATM 1170 N N1 . EPE D 3 . ? 31.711 19.006 15.201 1.00 92.34 ? 3022 EPE A N1 1 HETATM 1171 C C2 . EPE D 3 . ? 32.183 18.860 13.764 1.00 88.61 ? 3022 EPE A C2 1 HETATM 1172 C C3 . EPE D 3 . ? 33.004 20.122 13.366 1.00 89.01 ? 3022 EPE A C3 1 HETATM 1173 N N4 . EPE D 3 . ? 34.171 20.295 14.279 1.00 90.41 ? 3022 EPE A N4 1 HETATM 1174 C C5 . EPE D 3 . ? 33.707 20.388 15.714 1.00 91.17 ? 3022 EPE A C5 1 HETATM 1175 C C6 . EPE D 3 . ? 32.926 19.096 16.107 1.00 90.17 ? 3022 EPE A C6 1 HETATM 1176 C C7 . EPE D 3 . ? 34.892 21.540 13.876 1.00 86.72 ? 3022 EPE A C7 1 HETATM 1177 C C8 . EPE D 3 . ? 36.118 21.808 14.770 1.00 85.64 ? 3022 EPE A C8 1 HETATM 1178 O O8 . EPE D 3 . ? 37.074 20.757 14.595 1.00 81.49 ? 3022 EPE A O8 1 HETATM 1179 C C9 . EPE D 3 . ? 30.893 17.814 15.547 1.00 90.35 ? 3022 EPE A C9 1 HETATM 1180 C C10 . EPE D 3 . ? 30.355 17.897 16.992 1.00 90.83 ? 3022 EPE A C10 1 HETATM 1181 S S . EPE D 3 . ? 29.312 16.444 17.350 1.00 98.28 ? 3022 EPE A S 1 HETATM 1182 O O1S . EPE D 3 . ? 28.073 16.425 16.628 1.00 93.40 ? 3022 EPE A O1S 1 HETATM 1183 O O2S . EPE D 3 . ? 30.134 15.271 17.270 1.00 95.46 ? 3022 EPE A O2S 1 HETATM 1184 O O3S . EPE D 3 . ? 28.884 16.592 18.803 1.00 99.21 ? 3022 EPE A O3S 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 DA 1 12 12 DA ADE F . n A 1 2 DG 2 13 13 DG GUA F . n A 1 3 DT 3 14 14 DT THY F . n A 1 4 DA 4 15 15 DA ADE F . n A 1 5 DT 5 16 16 DT THY F . n A 1 6 DA 6 17 17 DA ADE F . n A 1 7 5IU 7 18 18 5IU I5U F . n A 1 8 DA 8 19 19 DA ADE F . n A 1 9 DC 9 20 20 DC CYT F . n A 1 10 5IU 10 21 21 5IU I5U F . n A 1 11 DA 11 22 22 DA ADE F . n A 1 12 DG 12 23 23 DG GUA F . n A 1 13 DT 13 24 24 DT THY F . n A 1 14 DA 14 25 25 DA ADE F . n A 1 15 DT 15 26 26 DT THY F . n A 1 16 DA 16 27 27 DA ADE F . n A 1 17 DT 17 28 28 DT THY F . n A 1 18 DA 18 29 29 DA ADE F . n A 1 19 DC 19 30 30 DC CYT F . n A 1 20 DT 20 31 31 DT THY F . n B 2 1 MET 1 -18 ? ? ? A . n B 2 2 GLY 2 -17 ? ? ? A . n B 2 3 SER 3 -16 ? ? ? A . n B 2 4 SER 4 -15 ? ? ? A . n B 2 5 HIS 5 -14 ? ? ? A . n B 2 6 HIS 6 -13 ? ? ? A . n B 2 7 HIS 7 -12 ? ? ? A . n B 2 8 HIS 8 -11 ? ? ? A . n B 2 9 HIS 9 -10 ? ? ? A . n B 2 10 HIS 10 -9 ? ? ? A . n B 2 11 SER 11 -8 ? ? ? A . n B 2 12 SER 12 -7 ? ? ? A . n B 2 13 GLY 13 -6 ? ? ? A . n B 2 14 LEU 14 -5 ? ? ? A . n B 2 15 VAL 15 -4 ? ? ? A . n B 2 16 PRO 16 -3 ? ? ? A . n B 2 17 GLY 17 -2 ? ? ? A . n B 2 18 SER 18 -1 ? ? ? A . n B 2 19 HIS 19 0 ? ? ? A . n B 2 20 MET 20 1 ? ? ? A . n B 2 21 ASP 21 2 ? ? ? A . n B 2 22 LYS 22 3 ? ? ? A . n B 2 23 LYS 23 4 4 LYS LYS A . n B 2 24 GLU 24 5 5 GLU GLU A . n B 2 25 THR 25 6 6 THR THR A . n B 2 26 LYS 26 7 7 LYS LYS A . n B 2 27 HIS 27 8 8 HIS HIS A . n B 2 28 LEU 28 9 9 LEU LEU A . n B 2 29 LEU 29 10 10 LEU LEU A . n B 2 30 LYS 30 11 11 LYS LYS A . n B 2 31 ILE 31 12 12 ILE ILE A . n B 2 32 LYS 32 13 13 LYS LYS A . n B 2 33 LYS 33 14 14 LYS LYS A . n B 2 34 GLU 34 15 15 GLU GLU A . n B 2 35 ASP 35 16 16 ASP ASP A . n B 2 36 TYR 36 17 17 TYR TYR A . n B 2 37 PRO 37 18 18 PRO PRO A . n B 2 38 GLN 38 19 19 GLN GLN A . n B 2 39 ILE 39 20 20 ILE ILE A . n B 2 40 PHE 40 21 21 PHE PHE A . n B 2 41 ASP 41 22 22 ASP ASP A . n B 2 42 PHE 42 23 23 PHE PHE A . n B 2 43 LEU 43 24 24 LEU LEU A . n B 2 44 GLU 44 25 25 GLU GLU A . n B 2 45 ASN 45 26 26 ASN ASN A . n B 2 46 VAL 46 27 27 VAL VAL A . n B 2 47 PRO 47 28 28 PRO PRO A . n B 2 48 ARG 48 29 29 ARG ARG A . n B 2 49 GLY 49 30 30 GLY GLY A . n B 2 50 THR 50 31 31 THR THR A . n B 2 51 LYS 51 32 32 LYS LYS A . n B 2 52 THR 52 33 33 THR THR A . n B 2 53 ALA 53 34 34 ALA ALA A . n B 2 54 HIS 54 35 35 HIS HIS A . n B 2 55 ILE 55 36 36 ILE ILE A . n B 2 56 ARG 56 37 37 ARG ARG A . n B 2 57 GLU 57 38 38 GLU GLU A . n B 2 58 ALA 58 39 39 ALA ALA A . n B 2 59 LEU 59 40 40 LEU LEU A . n B 2 60 ARG 60 41 41 ARG ARG A . n B 2 61 ARG 61 42 42 ARG ARG A . n B 2 62 TYR 62 43 43 TYR TYR A . n B 2 63 ILE 63 44 44 ILE ILE A . n B 2 64 GLU 64 45 45 GLU GLU A . n B 2 65 GLU 65 46 46 GLU GLU A . n B 2 66 ILE 66 47 47 ILE ILE A . n B 2 67 GLY 67 48 48 GLY GLY A . n B 2 68 GLU 68 49 ? ? ? A . n B 2 69 ASN 69 50 ? ? ? A . n B 2 70 PRO 70 51 ? ? ? A . n C 2 1 MET 1 -18 ? ? ? B . n C 2 2 GLY 2 -17 ? ? ? B . n C 2 3 SER 3 -16 ? ? ? B . n C 2 4 SER 4 -15 ? ? ? B . n C 2 5 HIS 5 -14 ? ? ? B . n C 2 6 HIS 6 -13 ? ? ? B . n C 2 7 HIS 7 -12 ? ? ? B . n C 2 8 HIS 8 -11 ? ? ? B . n C 2 9 HIS 9 -10 ? ? ? B . n C 2 10 HIS 10 -9 ? ? ? B . n C 2 11 SER 11 -8 ? ? ? B . n C 2 12 SER 12 -7 ? ? ? B . n C 2 13 GLY 13 -6 ? ? ? B . n C 2 14 LEU 14 -5 ? ? ? B . n C 2 15 VAL 15 -4 ? ? ? B . n C 2 16 PRO 16 -3 ? ? ? B . n C 2 17 GLY 17 -2 ? ? ? B . n C 2 18 SER 18 -1 ? ? ? B . n C 2 19 HIS 19 0 ? ? ? B . n C 2 20 MET 20 1 ? ? ? B . n C 2 21 ASP 21 2 ? ? ? B . n C 2 22 LYS 22 3 ? ? ? B . n C 2 23 LYS 23 4 4 LYS LYS B . n C 2 24 GLU 24 5 5 GLU GLU B . n C 2 25 THR 25 6 6 THR THR B . n C 2 26 LYS 26 7 7 LYS LYS B . n C 2 27 HIS 27 8 8 HIS HIS B . n C 2 28 LEU 28 9 9 LEU LEU B . n C 2 29 LEU 29 10 10 LEU LEU B . n C 2 30 LYS 30 11 11 LYS LYS B . n C 2 31 ILE 31 12 12 ILE ILE B . n C 2 32 LYS 32 13 13 LYS LYS B . n C 2 33 LYS 33 14 14 LYS LYS B . n C 2 34 GLU 34 15 15 GLU GLU B . n C 2 35 ASP 35 16 16 ASP ASP B . n C 2 36 TYR 36 17 17 TYR TYR B . n C 2 37 PRO 37 18 18 PRO PRO B . n C 2 38 GLN 38 19 19 GLN GLN B . n C 2 39 ILE 39 20 20 ILE ILE B . n C 2 40 PHE 40 21 21 PHE PHE B . n C 2 41 ASP 41 22 22 ASP ASP B . n C 2 42 PHE 42 23 23 PHE PHE B . n C 2 43 LEU 43 24 24 LEU LEU B . n C 2 44 GLU 44 25 25 GLU GLU B . n C 2 45 ASN 45 26 26 ASN ASN B . n C 2 46 VAL 46 27 27 VAL VAL B . n C 2 47 PRO 47 28 28 PRO PRO B . n C 2 48 ARG 48 29 29 ARG ARG B . n C 2 49 GLY 49 30 30 GLY GLY B . n C 2 50 THR 50 31 31 THR THR B . n C 2 51 LYS 51 32 32 LYS LYS B . n C 2 52 THR 52 33 33 THR THR B . n C 2 53 ALA 53 34 34 ALA ALA B . n C 2 54 HIS 54 35 35 HIS HIS B . n C 2 55 ILE 55 36 36 ILE ILE B . n C 2 56 ARG 56 37 37 ARG ARG B . n C 2 57 GLU 57 38 38 GLU GLU B . n C 2 58 ALA 58 39 39 ALA ALA B . n C 2 59 LEU 59 40 40 LEU LEU B . n C 2 60 ARG 60 41 41 ARG ARG B . n C 2 61 ARG 61 42 42 ARG ARG B . n C 2 62 TYR 62 43 43 TYR TYR B . n C 2 63 ILE 63 44 44 ILE ILE B . n C 2 64 GLU 64 45 45 GLU GLU B . n C 2 65 GLU 65 46 46 GLU GLU B . n C 2 66 ILE 66 47 47 ILE ILE B . n C 2 67 GLY 67 48 ? ? ? B . n C 2 68 GLU 68 49 ? ? ? B . n C 2 69 ASN 69 50 ? ? ? B . n C 2 70 PRO 70 51 ? ? ? B . n # _pdbx_nonpoly_scheme.asym_id D _pdbx_nonpoly_scheme.entity_id 3 _pdbx_nonpoly_scheme.mon_id EPE _pdbx_nonpoly_scheme.ndb_seq_num 1 _pdbx_nonpoly_scheme.pdb_seq_num 3022 _pdbx_nonpoly_scheme.auth_seq_num 3022 _pdbx_nonpoly_scheme.pdb_mon_id EPE _pdbx_nonpoly_scheme.auth_mon_id EPE _pdbx_nonpoly_scheme.pdb_strand_id A _pdbx_nonpoly_scheme.pdb_ins_code . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A 5IU 7 F 5IU 18 ? DU "5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE" 2 A 5IU 10 F 5IU 21 ? DU "5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE" # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 10_665 -y+1,-x+1,-z+1/6 0.5000000000 -0.8660254038 0.0000000000 28.1500000000 -0.8660254038 -0.5000000000 0.0000000000 48.7572302331 0.0000000000 0.0000000000 -1.0000000000 38.7500000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2008-02-05 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.1 ? 1 ADSC 'data collection' Quantum ? 2 MOSFLM 'data reduction' . ? 3 SCALA 'data scaling' . ? 4 SOLVE phasing . ? 5 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O3S _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 EPE _pdbx_validate_symm_contact.auth_seq_id_1 3022 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O3S _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 EPE _pdbx_validate_symm_contact.auth_seq_id_2 3022 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 10_665 _pdbx_validate_symm_contact.dist 1.75 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PHE A 21 ? ? -38.20 -70.74 2 1 PHE A 23 ? ? -63.67 -73.32 3 1 ILE A 44 ? ? -31.18 -81.09 4 1 ILE A 47 ? ? -79.74 -99.60 5 1 LYS B 14 ? ? -35.12 -81.55 6 1 GLU B 46 ? ? -63.47 37.20 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id DT _pdbx_validate_planes.auth_asym_id F _pdbx_validate_planes.auth_seq_id 31 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.066 _pdbx_validate_planes.type 'SIDE CHAIN' # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A MET -18 ? B MET 1 2 1 Y 1 A GLY -17 ? B GLY 2 3 1 Y 1 A SER -16 ? B SER 3 4 1 Y 1 A SER -15 ? B SER 4 5 1 Y 1 A HIS -14 ? B HIS 5 6 1 Y 1 A HIS -13 ? B HIS 6 7 1 Y 1 A HIS -12 ? B HIS 7 8 1 Y 1 A HIS -11 ? B HIS 8 9 1 Y 1 A HIS -10 ? B HIS 9 10 1 Y 1 A HIS -9 ? B HIS 10 11 1 Y 1 A SER -8 ? B SER 11 12 1 Y 1 A SER -7 ? B SER 12 13 1 Y 1 A GLY -6 ? B GLY 13 14 1 Y 1 A LEU -5 ? B LEU 14 15 1 Y 1 A VAL -4 ? B VAL 15 16 1 Y 1 A PRO -3 ? B PRO 16 17 1 Y 1 A GLY -2 ? B GLY 17 18 1 Y 1 A SER -1 ? B SER 18 19 1 Y 1 A HIS 0 ? B HIS 19 20 1 Y 1 A MET 1 ? B MET 20 21 1 Y 1 A ASP 2 ? B ASP 21 22 1 Y 1 A LYS 3 ? B LYS 22 23 1 Y 1 A GLU 49 ? B GLU 68 24 1 Y 1 A ASN 50 ? B ASN 69 25 1 Y 1 A PRO 51 ? B PRO 70 26 1 Y 1 B MET -18 ? C MET 1 27 1 Y 1 B GLY -17 ? C GLY 2 28 1 Y 1 B SER -16 ? C SER 3 29 1 Y 1 B SER -15 ? C SER 4 30 1 Y 1 B HIS -14 ? C HIS 5 31 1 Y 1 B HIS -13 ? C HIS 6 32 1 Y 1 B HIS -12 ? C HIS 7 33 1 Y 1 B HIS -11 ? C HIS 8 34 1 Y 1 B HIS -10 ? C HIS 9 35 1 Y 1 B HIS -9 ? C HIS 10 36 1 Y 1 B SER -8 ? C SER 11 37 1 Y 1 B SER -7 ? C SER 12 38 1 Y 1 B GLY -6 ? C GLY 13 39 1 Y 1 B LEU -5 ? C LEU 14 40 1 Y 1 B VAL -4 ? C VAL 15 41 1 Y 1 B PRO -3 ? C PRO 16 42 1 Y 1 B GLY -2 ? C GLY 17 43 1 Y 1 B SER -1 ? C SER 18 44 1 Y 1 B HIS 0 ? C HIS 19 45 1 Y 1 B MET 1 ? C MET 20 46 1 Y 1 B ASP 2 ? C ASP 21 47 1 Y 1 B LYS 3 ? C LYS 22 48 1 Y 1 B GLY 48 ? C GLY 67 49 1 Y 1 B GLU 49 ? C GLU 68 50 1 Y 1 B ASN 50 ? C ASN 69 51 1 Y 1 B PRO 51 ? C PRO 70 # loop_ _ndb_struct_conf_na.entry_id _ndb_struct_conf_na.feature 2Q2K 'double helix' 2Q2K 'b-form double helix' # loop_ _ndb_struct_na_base_pair.model_number _ndb_struct_na_base_pair.i_label_asym_id _ndb_struct_na_base_pair.i_label_comp_id _ndb_struct_na_base_pair.i_label_seq_id _ndb_struct_na_base_pair.i_symmetry _ndb_struct_na_base_pair.j_label_asym_id _ndb_struct_na_base_pair.j_label_comp_id _ndb_struct_na_base_pair.j_label_seq_id _ndb_struct_na_base_pair.j_symmetry _ndb_struct_na_base_pair.shear _ndb_struct_na_base_pair.stretch _ndb_struct_na_base_pair.stagger _ndb_struct_na_base_pair.buckle _ndb_struct_na_base_pair.propeller _ndb_struct_na_base_pair.opening _ndb_struct_na_base_pair.pair_number _ndb_struct_na_base_pair.pair_name _ndb_struct_na_base_pair.i_auth_asym_id _ndb_struct_na_base_pair.i_auth_seq_id _ndb_struct_na_base_pair.i_PDB_ins_code _ndb_struct_na_base_pair.j_auth_asym_id _ndb_struct_na_base_pair.j_auth_seq_id _ndb_struct_na_base_pair.j_PDB_ins_code _ndb_struct_na_base_pair.hbond_type_28 _ndb_struct_na_base_pair.hbond_type_12 1 A DA 1 1_555 A DT 20 10_665 -0.128 -0.247 -0.198 -0.440 -8.944 0.846 1 F_DA12:DT31_F F 12 ? F 31 ? 20 1 1 A DG 2 1_555 A DC 19 10_665 -0.281 0.318 -0.065 -6.818 -14.174 4.887 2 F_DG13:DC30_F F 13 ? F 30 ? ? 1 1 A DT 3 1_555 A DA 18 10_665 -0.295 -0.009 0.575 -14.481 -7.142 11.197 3 F_DT14:DA29_F F 14 ? F 29 ? 20 1 1 A DA 4 1_555 A DT 17 10_665 -0.359 0.260 -0.635 -4.640 -3.850 8.935 4 F_DA15:DT28_F F 15 ? F 28 ? ? ? 1 A DT 5 1_555 A DA 16 10_665 -0.088 -0.405 -0.769 15.016 1.704 -1.340 5 F_DT16:DA27_F F 16 ? F 27 ? 20 1 1 A DA 6 1_555 A DT 15 10_665 0.345 -0.498 -1.256 -22.545 -3.163 1.874 6 F_DA17:DT26_F F 17 ? F 26 ? 20 1 1 A 5IU 7 1_555 A DA 14 10_665 0.959 0.095 -0.562 5.878 4.530 2.865 7 F_5IU18:DA25_F F 18 ? F 25 ? 20 1 1 A DA 8 1_555 A DT 13 10_665 0.334 0.484 -0.177 -0.061 -13.612 15.846 8 F_DA19:DT24_F F 19 ? F 24 ? ? ? 1 A DC 9 1_555 A DG 12 10_665 -0.976 0.138 0.286 0.784 -10.551 3.785 9 F_DC20:DG23_F F 20 ? F 23 ? 19 1 1 A 5IU 10 1_555 A DA 11 10_665 1.034 -0.355 0.474 10.386 -13.185 -3.598 10 F_5IU21:DA22_F F 21 ? F 22 ? 20 1 1 A DA 11 1_555 A 5IU 10 10_665 -1.034 -0.355 0.474 -10.386 -13.185 -3.598 11 F_DA22:5IU21_F F 22 ? F 21 ? 20 1 1 A DG 12 1_555 A DC 9 10_665 0.976 0.138 0.286 -0.784 -10.551 3.785 12 F_DG23:DC20_F F 23 ? F 20 ? 19 1 1 A DT 13 1_555 A DA 8 10_665 -0.334 0.484 -0.177 0.061 -13.612 15.846 13 F_DT24:DA19_F F 24 ? F 19 ? ? ? 1 A DA 14 1_555 A 5IU 7 10_665 -0.959 0.095 -0.562 -5.878 4.530 2.865 14 F_DA25:5IU18_F F 25 ? F 18 ? 20 1 1 A DT 15 1_555 A DA 6 10_665 -0.345 -0.498 -1.256 22.545 -3.163 1.874 15 F_DT26:DA17_F F 26 ? F 17 ? 20 1 1 A DA 16 1_555 A DT 5 10_665 0.088 -0.405 -0.769 -15.016 1.704 -1.340 16 F_DA27:DT16_F F 27 ? F 16 ? 20 1 1 A DT 17 1_555 A DA 4 10_665 0.359 0.260 -0.635 4.640 -3.850 8.935 17 F_DT28:DA15_F F 28 ? F 15 ? ? ? 1 A DA 18 1_555 A DT 3 10_665 0.295 -0.009 0.575 14.481 -7.142 11.197 18 F_DA29:DT14_F F 29 ? F 14 ? 20 1 1 A DC 19 1_555 A DG 2 10_665 0.281 0.318 -0.065 6.818 -14.174 4.887 19 F_DC30:DG13_F F 30 ? F 13 ? ? 1 1 A DT 20 1_555 A DA 1 10_665 0.128 -0.247 -0.198 0.440 -8.944 0.846 20 F_DT31:DA12_F F 31 ? F 12 ? 20 1 # loop_ _ndb_struct_na_base_pair_step.model_number _ndb_struct_na_base_pair_step.i_label_asym_id_1 _ndb_struct_na_base_pair_step.i_label_comp_id_1 _ndb_struct_na_base_pair_step.i_label_seq_id_1 _ndb_struct_na_base_pair_step.i_symmetry_1 _ndb_struct_na_base_pair_step.j_label_asym_id_1 _ndb_struct_na_base_pair_step.j_label_comp_id_1 _ndb_struct_na_base_pair_step.j_label_seq_id_1 _ndb_struct_na_base_pair_step.j_symmetry_1 _ndb_struct_na_base_pair_step.i_label_asym_id_2 _ndb_struct_na_base_pair_step.i_label_comp_id_2 _ndb_struct_na_base_pair_step.i_label_seq_id_2 _ndb_struct_na_base_pair_step.i_symmetry_2 _ndb_struct_na_base_pair_step.j_label_asym_id_2 _ndb_struct_na_base_pair_step.j_label_comp_id_2 _ndb_struct_na_base_pair_step.j_label_seq_id_2 _ndb_struct_na_base_pair_step.j_symmetry_2 _ndb_struct_na_base_pair_step.shift _ndb_struct_na_base_pair_step.slide _ndb_struct_na_base_pair_step.rise _ndb_struct_na_base_pair_step.tilt _ndb_struct_na_base_pair_step.roll _ndb_struct_na_base_pair_step.twist _ndb_struct_na_base_pair_step.x_displacement _ndb_struct_na_base_pair_step.y_displacement _ndb_struct_na_base_pair_step.helical_rise _ndb_struct_na_base_pair_step.inclination _ndb_struct_na_base_pair_step.tip _ndb_struct_na_base_pair_step.helical_twist _ndb_struct_na_base_pair_step.step_number _ndb_struct_na_base_pair_step.step_name _ndb_struct_na_base_pair_step.i_auth_asym_id_1 _ndb_struct_na_base_pair_step.i_auth_seq_id_1 _ndb_struct_na_base_pair_step.i_PDB_ins_code_1 _ndb_struct_na_base_pair_step.j_auth_asym_id_1 _ndb_struct_na_base_pair_step.j_auth_seq_id_1 _ndb_struct_na_base_pair_step.j_PDB_ins_code_1 _ndb_struct_na_base_pair_step.i_auth_asym_id_2 _ndb_struct_na_base_pair_step.i_auth_seq_id_2 _ndb_struct_na_base_pair_step.i_PDB_ins_code_2 _ndb_struct_na_base_pair_step.j_auth_asym_id_2 _ndb_struct_na_base_pair_step.j_auth_seq_id_2 _ndb_struct_na_base_pair_step.j_PDB_ins_code_2 1 A DA 1 1_555 A DT 20 10_665 A DG 2 1_555 A DC 19 10_665 0.237 -0.364 3.463 -3.763 2.654 35.999 -0.976 -0.934 3.387 4.273 6.057 36.283 1 FF_DA12DG13:DC30DT31_FF F 12 ? F 31 ? F 13 ? F 30 ? 1 A DG 2 1_555 A DC 19 10_665 A DT 3 1_555 A DA 18 10_665 1.122 -0.489 3.386 -2.498 -1.843 33.683 -0.535 -2.343 3.318 -3.173 4.299 33.822 2 FF_DG13DT14:DA29DC30_FF F 13 ? F 30 ? F 14 ? F 29 ? 1 A DT 3 1_555 A DA 18 10_665 A DA 4 1_555 A DT 17 10_665 -0.541 -0.340 2.971 6.001 8.399 32.913 -1.728 1.738 2.670 14.390 -10.281 34.451 3 FF_DT14DA15:DT28DA29_FF F 14 ? F 29 ? F 15 ? F 28 ? 1 A DA 4 1_555 A DT 17 10_665 A DT 5 1_555 A DA 16 10_665 0.321 -0.266 2.925 0.889 0.317 29.603 -0.580 -0.460 2.930 0.621 -1.740 29.618 4 FF_DA15DT16:DA27DT28_FF F 15 ? F 28 ? F 16 ? F 27 ? 1 A DT 5 1_555 A DA 16 10_665 A DA 6 1_555 A DT 15 10_665 -0.161 -0.557 4.331 1.289 16.918 34.336 -3.612 0.457 3.664 26.731 -2.036 38.186 5 FF_DT16DA17:DT26DA27_FF F 16 ? F 27 ? F 17 ? F 26 ? 1 A DA 6 1_555 A DT 15 10_665 A 5IU 7 1_555 A DA 14 10_665 -0.335 -0.379 2.777 -6.411 -0.918 28.577 -0.578 -0.534 2.795 -1.830 12.781 29.286 6 FF_DA175IU18:DA25DT26_FF F 17 ? F 26 ? F 18 ? F 25 ? 1 A 5IU 7 1_555 A DA 14 10_665 A DA 8 1_555 A DT 13 10_665 0.099 -0.360 3.462 1.534 14.823 25.589 -3.964 0.142 2.834 30.402 -3.146 29.549 7 FF_5IU18DA19:DT24DA25_FF F 18 ? F 25 ? F 19 ? F 24 ? 1 A DA 8 1_555 A DT 13 10_665 A DC 9 1_555 A DG 12 10_665 -1.374 -0.567 3.154 -3.594 4.982 28.703 -2.167 1.958 3.157 9.906 7.147 29.339 8 FF_DA19DC20:DG23DT24_FF F 19 ? F 24 ? F 20 ? F 23 ? 1 A DC 9 1_555 A DG 12 10_665 A 5IU 10 1_555 A DA 11 10_665 0.119 0.428 3.055 1.434 4.028 42.514 0.207 -0.028 3.083 5.539 -1.972 42.718 9 FF_DC205IU21:DA22DG23_FF F 20 ? F 23 ? F 21 ? F 22 ? 1 A 5IU 10 1_555 A DA 11 10_665 A DA 11 1_555 A 5IU 10 10_665 0.000 2.388 4.074 0.000 -19.474 44.621 4.579 0.000 2.857 -24.324 0.000 48.486 10 FF_5IU21DA22:5IU21DA22_FF F 21 ? F 22 ? F 22 ? F 21 ? 1 A DA 11 1_555 A 5IU 10 10_665 A DG 12 1_555 A DC 9 10_665 -0.119 0.428 3.055 -1.434 4.029 42.514 0.207 0.028 3.083 5.539 1.972 42.718 11 FF_DA22DG23:DC205IU21_FF F 22 ? F 21 ? F 23 ? F 20 ? 1 A DG 12 1_555 A DC 9 10_665 A DT 13 1_555 A DA 8 10_665 1.374 -0.567 3.154 3.594 4.982 28.703 -2.167 -1.958 3.157 9.906 -7.147 29.339 12 FF_DG23DT24:DA19DC20_FF F 23 ? F 20 ? F 24 ? F 19 ? 1 A DT 13 1_555 A DA 8 10_665 A DA 14 1_555 A 5IU 7 10_665 -0.099 -0.360 3.462 -1.534 14.823 25.589 -3.964 -0.142 2.834 30.402 3.146 29.549 13 FF_DT24DA25:5IU18DA19_FF F 24 ? F 19 ? F 25 ? F 18 ? 1 A DA 14 1_555 A 5IU 7 10_665 A DT 15 1_555 A DA 6 10_665 0.335 -0.379 2.777 6.411 -0.918 28.577 -0.578 0.534 2.795 -1.830 -12.781 29.286 14 FF_DA25DT26:DA175IU18_FF F 25 ? F 18 ? F 26 ? F 17 ? 1 A DT 15 1_555 A DA 6 10_665 A DA 16 1_555 A DT 5 10_665 0.161 -0.557 4.331 -1.289 16.918 34.336 -3.612 -0.457 3.664 26.731 2.036 38.186 15 FF_DT26DA27:DT16DA17_FF F 26 ? F 17 ? F 27 ? F 16 ? 1 A DA 16 1_555 A DT 5 10_665 A DT 17 1_555 A DA 4 10_665 -0.321 -0.266 2.925 -0.889 0.317 29.603 -0.580 0.460 2.930 0.621 1.740 29.618 16 FF_DA27DT28:DA15DT16_FF F 27 ? F 16 ? F 28 ? F 15 ? 1 A DT 17 1_555 A DA 4 10_665 A DA 18 1_555 A DT 3 10_665 0.541 -0.340 2.971 -6.001 8.399 32.913 -1.728 -1.738 2.670 14.390 10.281 34.451 17 FF_DT28DA29:DT14DA15_FF F 28 ? F 15 ? F 29 ? F 14 ? 1 A DA 18 1_555 A DT 3 10_665 A DC 19 1_555 A DG 2 10_665 -1.122 -0.489 3.386 2.498 -1.843 33.683 -0.535 2.343 3.318 -3.173 -4.299 33.822 18 FF_DA29DC30:DG13DT14_FF F 29 ? F 14 ? F 30 ? F 13 ? 1 A DC 19 1_555 A DG 2 10_665 A DT 20 1_555 A DA 1 10_665 -0.237 -0.364 3.463 3.763 2.654 35.999 -0.976 0.934 3.387 4.273 -6.058 36.283 19 FF_DC30DT31:DA12DG13_FF F 30 ? F 13 ? F 31 ? F 12 ? # _pdbx_entity_nonpoly.entity_id 3 _pdbx_entity_nonpoly.name '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' _pdbx_entity_nonpoly.comp_id EPE # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/3u8v.cif ================================================ data_3U8V # _entry.id 3U8V # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3U8V RCSB RCSB068452 WWPDB D_1000068452 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2011-11-09 _pdbx_database_PDB_obs_spr.pdb_id 3U8V _pdbx_database_PDB_obs_spr.replace_pdb_id 3DFB _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3U8V _pdbx_database_status.recvd_initial_deposition_date 2011-10-17 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Allen, J.P.' 1 'Francisco, W.A.' 2 # _citation.id primary _citation.title 'Three dimensional structure of the Small Metal Binding Protein, SMBP' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Allen, J.P.' 1 primary 'Francisco, W.A.' 2 # _cell.entry_id 3U8V _cell.length_a 35.660 _cell.length_b 56.207 _cell.length_c 83.923 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3U8V _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Metal-binding protein smbP' 9890.737 2 ? ? ? ? 2 non-polymer syn 'NICKEL (II) ION' 58.693 1 ? ? ? ? 3 water nat water 18.015 97 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;SGHTAHVDEAVKHAEEAVAHGKEGHTDQLLEHAKESLTHAKAASEAGGNTHVGHGIKHLEDAIKHGEEGHVGVATKHAQE AIEHLRASEHKSH ; _entity_poly.pdbx_seq_one_letter_code_can ;SGHTAHVDEAVKHAEEAVAHGKEGHTDQLLEHAKESLTHAKAASEAGGNTHVGHGIKHLEDAIKHGEEGHVGVATKHAQE AIEHLRASEHKSH ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLY n 1 3 HIS n 1 4 THR n 1 5 ALA n 1 6 HIS n 1 7 VAL n 1 8 ASP n 1 9 GLU n 1 10 ALA n 1 11 VAL n 1 12 LYS n 1 13 HIS n 1 14 ALA n 1 15 GLU n 1 16 GLU n 1 17 ALA n 1 18 VAL n 1 19 ALA n 1 20 HIS n 1 21 GLY n 1 22 LYS n 1 23 GLU n 1 24 GLY n 1 25 HIS n 1 26 THR n 1 27 ASP n 1 28 GLN n 1 29 LEU n 1 30 LEU n 1 31 GLU n 1 32 HIS n 1 33 ALA n 1 34 LYS n 1 35 GLU n 1 36 SER n 1 37 LEU n 1 38 THR n 1 39 HIS n 1 40 ALA n 1 41 LYS n 1 42 ALA n 1 43 ALA n 1 44 SER n 1 45 GLU n 1 46 ALA n 1 47 GLY n 1 48 GLY n 1 49 ASN n 1 50 THR n 1 51 HIS n 1 52 VAL n 1 53 GLY n 1 54 HIS n 1 55 GLY n 1 56 ILE n 1 57 LYS n 1 58 HIS n 1 59 LEU n 1 60 GLU n 1 61 ASP n 1 62 ALA n 1 63 ILE n 1 64 LYS n 1 65 HIS n 1 66 GLY n 1 67 GLU n 1 68 GLU n 1 69 GLY n 1 70 HIS n 1 71 VAL n 1 72 GLY n 1 73 VAL n 1 74 ALA n 1 75 THR n 1 76 LYS n 1 77 HIS n 1 78 ALA n 1 79 GLN n 1 80 GLU n 1 81 ALA n 1 82 ILE n 1 83 GLU n 1 84 HIS n 1 85 LEU n 1 86 ARG n 1 87 ALA n 1 88 SER n 1 89 GLU n 1 90 HIS n 1 91 LYS n 1 92 SER n 1 93 HIS n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Nitrosomonas europaea' _entity_src_nat.pdbx_ncbi_taxonomy_id 915 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code SMBP_NITEU _struct_ref.pdbx_db_accession Q82S91 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;SGHTAHVDEAVKHAEEAVAHGKEGHTDQLLEHAKESLTHAKAASEAGGNTHVGHGIKHLEDAIKHGEEGHVGVATKHAQE AIEHLRASEHKSH ; _struct_ref.pdbx_align_begin 25 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3U8V A 1 ? 93 ? Q82S91 25 ? 117 ? 1 93 2 1 3U8V B 1 ? 93 ? Q82S91 25 ? 117 ? 1 93 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 NI non-polymer . 'NICKEL (II) ION' ? 'Ni 2' 58.693 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3U8V _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.13 _exptl_crystal.density_percent_sol 42.14 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 289 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 9.0 _exptl_crystal_grow.pdbx_details ;The reservoir contained 20% w/v polyethylene glycol 20000, 0.1 M calcium chloride, 0.1M N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid, TAPS and 1 mM sodium azide. For crystallization, 1 UL of the protein was mixed with an equal volume of the reservoir. The total volume of the reservoir was 0.5 ml., pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 80 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 210' _diffrn_detector.pdbx_collection_date 2007-10-01 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'graphite crystal' _diffrn_radiation.pdbx_diffrn_protocol MAD _diffrn_radiation.pdbx_scattering_type x-ray # loop_ _diffrn_radiation_wavelength.id _diffrn_radiation_wavelength.wavelength _diffrn_radiation_wavelength.wt 1 1.0 1.0 2 1.48525 1.0 3 1.48634 1.0 4 1.40127 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 5.0.3' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 5.0.3 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list '1.0, 1.48525, 1.48634, 1.40127' # _reflns.entry_id 3U8V _reflns.observed_criterion_sigma_I 1.0 _reflns.observed_criterion_sigma_F 1.0 _reflns.d_resolution_low 25.0 _reflns.d_resolution_high 1.90 _reflns.number_obs 13646 _reflns.number_all ? _reflns.percent_possible_obs 98.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.047 _reflns.pdbx_netI_over_sigmaI 10.5 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.3 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.9 _reflns_shell.d_res_low 2.0 _reflns_shell.percent_possible_all 97.6 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.280 _reflns_shell.meanI_over_sigI_obs 2.6 _reflns_shell.pdbx_redundancy 4.4 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3U8V _refine.ls_number_reflns_obs 12927 _refine.ls_number_reflns_all 13646 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 46.68 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs 98.19 _refine.ls_R_factor_obs 0.17206 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.17034 _refine.ls_R_factor_R_free 0.20533 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 684 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.958 _refine.correlation_coeff_Fo_to_Fc_free 0.935 _refine.B_iso_mean 28.085 _refine.aniso_B[1][1] -1.49 _refine.aniso_B[2][2] -0.38 _refine.aniso_B[3][3] 1.87 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.129 _refine.overall_SU_ML 0.089 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 5.741 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1244 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 1 _refine_hist.number_atoms_solvent 97 _refine_hist.number_atoms_total 1342 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 46.68 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.019 0.020 ? 1282 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.638 1.883 ? 1721 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 3.948 5.000 ? 162 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 39.114 25.077 ? 65 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 16.405 15.000 ? 218 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 9.711 15.000 ? 2 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.110 0.200 ? 188 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.007 0.020 ? 966 ? 'X-RAY DIFFRACTION' r_nbd_refined 0.224 0.200 ? 709 ? 'X-RAY DIFFRACTION' r_nbtor_refined 0.294 0.200 ? 851 ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined 0.172 0.200 ? 110 ? 'X-RAY DIFFRACTION' r_metal_ion_refined 0.050 0.200 ? 2 ? 'X-RAY DIFFRACTION' r_symmetry_vdw_refined 0.198 0.200 ? 39 ? 'X-RAY DIFFRACTION' r_symmetry_hbond_refined 0.204 0.200 ? 8 ? 'X-RAY DIFFRACTION' r_mcbond_it 1.226 1.500 ? 826 ? 'X-RAY DIFFRACTION' r_mcangle_it 1.774 2.000 ? 1271 ? 'X-RAY DIFFRACTION' r_scbond_it 3.603 3.000 ? 478 ? 'X-RAY DIFFRACTION' r_scangle_it 5.881 4.500 ? 450 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.900 _refine_ls_shell.d_res_low 1.949 _refine_ls_shell.number_reflns_R_work 918 _refine_ls_shell.R_factor_R_work 0.193 _refine_ls_shell.percent_reflns_obs 98.49 _refine_ls_shell.R_factor_R_free 0.272 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 59 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3U8V _struct.title 'Three dimensional structure of the Small Metal Binding Protein, SMBP' _struct.pdbx_descriptor 'Metal-binding protein smbP' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3U8V _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text 'four helical bundle, metal chaperone, METAL BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 3 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 2 ? GLU A 23 ? GLY A 2 GLU A 23 1 ? 22 HELX_P HELX_P2 2 HIS A 25 ? SER A 44 ? HIS A 25 SER A 44 1 ? 20 HELX_P HELX_P3 3 HIS A 51 ? GLU A 68 ? HIS A 51 GLU A 68 1 ? 18 HELX_P HELX_P4 4 HIS A 70 ? SER A 88 ? HIS A 70 SER A 88 1 ? 19 HELX_P HELX_P5 5 GLY B 2 ? GLU B 23 ? GLY B 2 GLU B 23 1 ? 22 HELX_P HELX_P6 6 HIS B 25 ? SER B 44 ? HIS B 25 SER B 44 1 ? 20 HELX_P HELX_P7 7 HIS B 51 ? GLY B 69 ? HIS B 51 GLY B 69 1 ? 19 HELX_P HELX_P8 8 HIS B 70 ? SER B 88 ? HIS B 70 SER B 88 1 ? 19 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order metalc1 metalc ? ? A SER 1 N ? ? ? 1_555 C NI . NI ? ? A SER 1 A NI 94 1_555 ? ? ? ? ? ? ? 1.884 ? metalc2 metalc ? ? B SER 1 N ? ? ? 1_555 C NI . NI ? ? B SER 1 A NI 94 1_555 ? ? ? ? ? ? ? 1.922 ? metalc3 metalc ? ? A HIS 6 NE2 ? ? ? 1_555 C NI . NI ? ? A HIS 6 A NI 94 1_555 ? ? ? ? ? ? ? 2.082 ? metalc4 metalc ? ? B SER 1 O ? ? ? 1_555 C NI . NI ? ? B SER 1 A NI 94 1_555 ? ? ? ? ? ? ? 2.089 ? metalc5 metalc ? ? B HIS 6 NE2 ? ? ? 1_555 C NI . NI ? ? B HIS 6 A NI 94 1_555 ? ? ? ? ? ? ? 2.099 ? metalc6 metalc ? ? A SER 1 O ? ? ? 1_555 C NI . NI ? ? A SER 1 A NI 94 1_555 ? ? ? ? ? ? ? 2.162 ? # _struct_conn_type.id metalc _struct_conn_type.criteria ? _struct_conn_type.reference ? # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id ? _struct_site.pdbx_auth_comp_id ? _struct_site.pdbx_auth_seq_id ? _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 4 _struct_site.details 'BINDING SITE FOR RESIDUE NI A 94' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 SER A 1 ? SER A 1 . ? 1_555 ? 2 AC1 4 HIS A 6 ? HIS A 6 . ? 1_555 ? 3 AC1 4 SER B 1 ? SER B 1 . ? 1_555 ? 4 AC1 4 HIS B 6 ? HIS B 6 . ? 1_555 ? # _database_PDB_matrix.entry_id 3U8V _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3U8V _atom_sites.fract_transf_matrix[1][1] 0.028043 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.017792 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.011916 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N NI O # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? -12.562 -8.742 23.281 1.00 19.66 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? -12.864 -10.224 23.478 1.00 21.30 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? -11.779 -10.770 24.394 1.00 21.77 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? -10.794 -10.109 24.633 1.00 20.18 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? -12.781 -10.962 22.138 1.00 20.28 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? -13.569 -10.314 21.163 1.00 20.97 ? 1 SER A OG 1 ATOM 7 N N . GLY A 1 2 ? -11.892 -12.024 24.824 1.00 22.61 ? 2 GLY A N 1 ATOM 8 C CA . GLY A 1 2 ? -10.817 -12.576 25.608 1.00 23.08 ? 2 GLY A CA 1 ATOM 9 C C . GLY A 1 2 ? -9.680 -13.048 24.761 1.00 22.51 ? 2 GLY A C 1 ATOM 10 O O . GLY A 1 2 ? -9.721 -12.995 23.542 1.00 20.49 ? 2 GLY A O 1 ATOM 11 N N . HIS A 1 3 ? -8.639 -13.538 25.419 1.00 24.09 ? 3 HIS A N 1 ATOM 12 C CA . HIS A 1 3 ? -7.398 -13.960 24.757 1.00 22.77 ? 3 HIS A CA 1 ATOM 13 C C . HIS A 1 3 ? -7.717 -15.000 23.697 1.00 21.78 ? 3 HIS A C 1 ATOM 14 O O . HIS A 1 3 ? -7.263 -14.920 22.597 1.00 20.40 ? 3 HIS A O 1 ATOM 15 C CB . HIS A 1 3 ? -6.451 -14.539 25.840 1.00 25.67 ? 3 HIS A CB 1 ATOM 16 C CG . HIS A 1 3 ? -5.171 -15.062 25.284 1.00 26.88 ? 3 HIS A CG 1 ATOM 17 N ND1 . HIS A 1 3 ? -4.081 -14.250 25.035 1.00 28.97 ? 3 HIS A ND1 1 ATOM 18 C CD2 . HIS A 1 3 ? -4.806 -16.319 24.927 1.00 29.23 ? 3 HIS A CD2 1 ATOM 19 C CE1 . HIS A 1 3 ? -3.110 -14.991 24.514 1.00 31.28 ? 3 HIS A CE1 1 ATOM 20 N NE2 . HIS A 1 3 ? -3.514 -16.252 24.469 1.00 29.50 ? 3 HIS A NE2 1 ATOM 21 N N . THR A 1 4 ? -8.578 -15.954 24.043 1.00 22.16 ? 4 THR A N 1 ATOM 22 C CA . THR A 1 4 ? -8.822 -17.087 23.128 1.00 22.67 ? 4 THR A CA 1 ATOM 23 C C . THR A 1 4 ? -9.413 -16.607 21.826 1.00 20.17 ? 4 THR A C 1 ATOM 24 O O . THR A 1 4 ? -9.033 -17.030 20.734 1.00 19.66 ? 4 THR A O 1 ATOM 25 C CB . THR A 1 4 ? -9.776 -18.069 23.777 1.00 24.10 ? 4 THR A CB 1 ATOM 26 O OG1 . THR A 1 4 ? -9.157 -18.572 24.954 1.00 26.95 ? 4 THR A OG1 1 ATOM 27 C CG2 . THR A 1 4 ? -10.095 -19.242 22.856 1.00 23.94 ? 4 THR A CG2 1 ATOM 28 N N . ALA A 1 5 ? -10.402 -15.732 21.943 1.00 21.24 ? 5 ALA A N 1 ATOM 29 C CA . ALA A 1 5 ? -11.103 -15.292 20.769 1.00 20.25 ? 5 ALA A CA 1 ATOM 30 C C . ALA A 1 5 ? -10.178 -14.428 19.921 1.00 18.26 ? 5 ALA A C 1 ATOM 31 O O . ALA A 1 5 ? -10.157 -14.500 18.688 1.00 17.79 ? 5 ALA A O 1 ATOM 32 C CB . ALA A 1 5 ? -12.319 -14.496 21.251 1.00 21.65 ? 5 ALA A CB 1 ATOM 33 N N . HIS A 1 6 ? -9.363 -13.593 20.555 1.00 18.08 ? 6 HIS A N 1 ATOM 34 C CA . HIS A 1 6 ? -8.416 -12.792 19.770 1.00 16.52 ? 6 HIS A CA 1 ATOM 35 C C . HIS A 1 6 ? -7.372 -13.616 19.062 1.00 17.33 ? 6 HIS A C 1 ATOM 36 O O . HIS A 1 6 ? -7.028 -13.342 17.912 1.00 18.33 ? 6 HIS A O 1 ATOM 37 C CB . HIS A 1 6 ? -7.744 -11.736 20.648 1.00 16.81 ? 6 HIS A CB 1 ATOM 38 C CG . HIS A 1 6 ? -8.653 -10.599 20.997 1.00 14.62 ? 6 HIS A CG 1 ATOM 39 N ND1 . HIS A 1 6 ? -9.285 -9.852 20.031 1.00 16.02 ? 6 HIS A ND1 1 ATOM 40 C CD2 . HIS A 1 6 ? -9.028 -10.069 22.182 1.00 15.68 ? 6 HIS A CD2 1 ATOM 41 C CE1 . HIS A 1 6 ? -10.050 -8.934 20.604 1.00 19.80 ? 6 HIS A CE1 1 ATOM 42 N NE2 . HIS A 1 6 ? -9.908 -9.039 21.908 1.00 15.20 ? 6 HIS A NE2 1 ATOM 43 N N . VAL A 1 7 ? -6.815 -14.596 19.756 1.00 18.12 ? 7 VAL A N 1 ATOM 44 C CA . VAL A 1 7 ? -5.835 -15.445 19.104 1.00 18.47 ? 7 VAL A CA 1 ATOM 45 C C . VAL A 1 7 ? -6.534 -16.142 17.949 1.00 19.37 ? 7 VAL A C 1 ATOM 46 O O . VAL A 1 7 ? -5.972 -16.219 16.869 1.00 18.81 ? 7 VAL A O 1 ATOM 47 C CB . VAL A 1 7 ? -5.193 -16.384 20.092 1.00 20.32 ? 7 VAL A CB 1 ATOM 48 C CG1 . VAL A 1 7 ? -4.329 -17.417 19.370 1.00 21.96 ? 7 VAL A CG1 1 ATOM 49 C CG2 . VAL A 1 7 ? -4.343 -15.542 21.035 1.00 17.45 ? 7 VAL A CG2 1 ATOM 50 N N . ASP A 1 8 ? -7.766 -16.626 18.166 1.00 20.69 ? 8 ASP A N 1 ATOM 51 C CA . ASP A 1 8 ? -8.487 -17.331 17.099 1.00 22.36 ? 8 ASP A CA 1 ATOM 52 C C . ASP A 1 8 ? -8.713 -16.444 15.900 1.00 20.62 ? 8 ASP A C 1 ATOM 53 O O . ASP A 1 8 ? -8.438 -16.856 14.762 1.00 18.78 ? 8 ASP A O 1 ATOM 54 C CB . ASP A 1 8 ? -9.856 -17.808 17.606 1.00 24.69 ? 8 ASP A CB 1 ATOM 55 C CG . ASP A 1 8 ? -10.617 -18.628 16.579 1.00 28.51 ? 8 ASP A CG 1 ATOM 56 O OD1 . ASP A 1 8 ? -11.798 -18.332 16.422 1.00 33.84 ? 8 ASP A OD1 1 ATOM 57 O OD2 . ASP A 1 8 ? -10.045 -19.584 16.017 1.00 34.11 ? 8 ASP A OD2 1 ATOM 58 N N . GLU A 1 9 ? -9.194 -15.214 16.137 1.00 19.14 ? 9 GLU A N 1 ATOM 59 C CA . GLU A 1 9 ? -9.414 -14.305 15.029 1.00 19.18 ? 9 GLU A CA 1 ATOM 60 C C . GLU A 1 9 ? -8.055 -13.938 14.394 1.00 17.98 ? 9 GLU A C 1 ATOM 61 O O . GLU A 1 9 ? -7.954 -13.825 13.174 1.00 17.78 ? 9 GLU A O 1 ATOM 62 C CB . GLU A 1 9 ? -10.125 -13.026 15.527 1.00 19.01 ? 9 GLU A CB 1 ATOM 63 C CG . GLU A 1 9 ? -11.589 -13.204 15.921 1.00 23.79 ? 9 GLU A CG 1 ATOM 64 C CD . GLU A 1 9 ? -12.449 -13.792 14.800 1.00 31.04 ? 9 GLU A CD 1 ATOM 65 O OE1 . GLU A 1 9 ? -12.263 -13.433 13.641 1.00 28.54 ? 9 GLU A OE1 1 ATOM 66 O OE2 . GLU A 1 9 ? -13.292 -14.669 15.077 1.00 43.66 ? 9 GLU A OE2 1 ATOM 67 N N . ALA A 1 10 ? -7.001 -13.777 15.202 1.00 16.98 ? 10 ALA A N 1 ATOM 68 C CA . ALA A 1 10 ? -5.674 -13.457 14.596 1.00 15.52 ? 10 ALA A CA 1 ATOM 69 C C . ALA A 1 10 ? -5.208 -14.588 13.634 1.00 16.54 ? 10 ALA A C 1 ATOM 70 O O . ALA A 1 10 ? -4.755 -14.341 12.505 1.00 16.51 ? 10 ALA A O 1 ATOM 71 C CB . ALA A 1 10 ? -4.620 -13.207 15.697 1.00 16.12 ? 10 ALA A CB 1 ATOM 72 N N . VAL A 1 11 ? -5.380 -15.824 14.080 1.00 17.49 ? 11 VAL A N 1 ATOM 73 C CA . VAL A 1 11 ? -4.996 -16.999 13.266 1.00 18.31 ? 11 VAL A CA 1 ATOM 74 C C . VAL A 1 11 ? -5.842 -17.050 11.980 1.00 19.96 ? 11 VAL A C 1 ATOM 75 O O . VAL A 1 11 ? -5.306 -17.170 10.866 1.00 19.57 ? 11 VAL A O 1 ATOM 76 C CB . VAL A 1 11 ? -5.098 -18.292 14.087 1.00 19.53 ? 11 VAL A CB 1 ATOM 77 C CG1 . VAL A 1 11 ? -4.934 -19.533 13.213 1.00 20.55 ? 11 VAL A CG1 1 ATOM 78 C CG2 . VAL A 1 11 ? -4.056 -18.270 15.147 1.00 20.55 ? 11 VAL A CG2 1 ATOM 79 N N . LYS A 1 12 ? -7.153 -16.902 12.130 1.00 20.30 ? 12 LYS A N 1 ATOM 80 C CA . LYS A 1 12 ? -8.050 -16.974 11.007 1.00 21.73 ? 12 LYS A CA 1 ATOM 81 C C . LYS A 1 12 ? -7.740 -15.902 9.967 1.00 18.91 ? 12 LYS A C 1 ATOM 82 O O . LYS A 1 12 ? -7.781 -16.151 8.750 1.00 16.73 ? 12 LYS A O 1 ATOM 83 C CB . LYS A 1 12 ? -9.514 -16.904 11.466 1.00 22.93 ? 12 LYS A CB 1 ATOM 84 C CG . LYS A 1 12 ? -9.967 -18.187 12.213 1.00 28.83 ? 12 LYS A CG 1 ATOM 85 C CD . LYS A 1 12 ? -11.497 -18.183 12.388 1.00 31.10 ? 12 LYS A CD 1 ATOM 86 C CE . LYS A 1 12 ? -12.085 -16.785 12.682 1.00 35.76 ? 12 LYS A CE 1 ATOM 87 N NZ . LYS A 1 12 ? -13.555 -16.926 13.125 1.00 39.75 ? 12 LYS A NZ 1 ATOM 88 N N . HIS A 1 13 ? -7.494 -14.679 10.424 1.00 16.91 ? 13 HIS A N 1 ATOM 89 C CA . HIS A 1 13 ? -7.170 -13.665 9.473 1.00 16.09 ? 13 HIS A CA 1 ATOM 90 C C . HIS A 1 13 ? -5.797 -13.858 8.848 1.00 16.61 ? 13 HIS A C 1 ATOM 91 O O . HIS A 1 13 ? -5.604 -13.601 7.667 1.00 17.96 ? 13 HIS A O 1 ATOM 92 C CB . HIS A 1 13 ? -7.222 -12.286 10.160 1.00 14.65 ? 13 HIS A CB 1 ATOM 93 C CG . HIS A 1 13 ? -8.617 -11.779 10.283 1.00 14.83 ? 13 HIS A CG 1 ATOM 94 N ND1 . HIS A 1 13 ? -9.355 -11.383 9.195 1.00 18.11 ? 13 HIS A ND1 1 ATOM 95 C CD2 . HIS A 1 13 ? -9.410 -11.592 11.372 1.00 19.62 ? 13 HIS A CD2 1 ATOM 96 C CE1 . HIS A 1 13 ? -10.560 -10.999 9.600 1.00 22.06 ? 13 HIS A CE1 1 ATOM 97 N NE2 . HIS A 1 13 ? -10.611 -11.113 10.915 1.00 21.71 ? 13 HIS A NE2 1 ATOM 98 N N . ALA A 1 14 ? -4.855 -14.329 9.642 1.00 15.25 ? 14 ALA A N 1 ATOM 99 C CA . ALA A 1 14 ? -3.509 -14.578 9.110 1.00 15.63 ? 14 ALA A CA 1 ATOM 100 C C . ALA A 1 14 ? -3.652 -15.718 8.087 1.00 15.96 ? 14 ALA A C 1 ATOM 101 O O . ALA A 1 14 ? -3.000 -15.704 7.026 1.00 16.50 ? 14 ALA A O 1 ATOM 102 C CB . ALA A 1 14 ? -2.540 -14.954 10.253 1.00 13.79 ? 14 ALA A CB 1 ATOM 103 N N . GLU A 1 15 ? -4.493 -16.727 8.392 1.00 15.82 ? 15 GLU A N 1 ATOM 104 C CA . GLU A 1 15 ? -4.694 -17.801 7.362 1.00 18.16 ? 15 GLU A CA 1 ATOM 105 C C . GLU A 1 15 ? -5.263 -17.273 6.077 1.00 18.01 ? 15 GLU A C 1 ATOM 106 O O . GLU A 1 15 ? -4.914 -17.731 5.012 1.00 18.68 ? 15 GLU A O 1 ATOM 107 C CB . GLU A 1 15 ? -5.564 -18.915 7.899 1.00 20.17 ? 15 GLU A CB 1 ATOM 108 C CG . GLU A 1 15 ? -4.810 -19.668 9.009 1.00 22.07 ? 15 GLU A CG 1 ATOM 109 C CD . GLU A 1 15 ? -5.655 -20.767 9.627 1.00 32.86 ? 15 GLU A CD 1 ATOM 110 O OE1 . GLU A 1 15 ? -6.895 -20.618 9.678 1.00 33.08 ? 15 GLU A OE1 1 ATOM 111 O OE2 . GLU A 1 15 ? -5.077 -21.767 10.073 1.00 37.21 ? 15 GLU A OE2 1 ATOM 112 N N . GLU A 1 16 ? -6.217 -16.343 6.171 1.00 18.11 ? 16 GLU A N 1 ATOM 113 C CA . GLU A 1 16 ? -6.784 -15.775 4.994 1.00 18.41 ? 16 GLU A CA 1 ATOM 114 C C . GLU A 1 16 ? -5.738 -14.892 4.312 1.00 19.03 ? 16 GLU A C 1 ATOM 115 O O . GLU A 1 16 ? -5.709 -14.861 3.093 1.00 19.27 ? 16 GLU A O 1 ATOM 116 C CB . GLU A 1 16 ? -8.024 -14.910 5.320 1.00 18.45 ? 16 GLU A CB 1 ATOM 117 C CG . GLU A 1 16 ? -8.975 -14.790 4.147 1.00 26.47 ? 16 GLU A CG 1 ATOM 118 C CD . GLU A 1 16 ? -9.643 -16.124 3.771 1.00 34.06 ? 16 GLU A CD 1 ATOM 119 O OE1 . GLU A 1 16 ? -10.208 -16.231 2.669 1.00 38.42 ? 16 GLU A OE1 1 ATOM 120 O OE2 . GLU A 1 16 ? -9.561 -17.124 4.533 1.00 41.27 ? 16 GLU A OE2 1 ATOM 121 N N . ALA A 1 17 ? -4.929 -14.124 5.080 1.00 17.17 ? 17 ALA A N 1 ATOM 122 C CA . ALA A 1 17 ? -3.866 -13.360 4.437 1.00 17.09 ? 17 ALA A CA 1 ATOM 123 C C . ALA A 1 17 ? -2.904 -14.296 3.636 1.00 16.48 ? 17 ALA A C 1 ATOM 124 O O . ALA A 1 17 ? -2.517 -14.015 2.498 1.00 17.02 ? 17 ALA A O 1 ATOM 125 C CB . ALA A 1 17 ? -3.079 -12.569 5.528 1.00 15.09 ? 17 ALA A CB 1 ATOM 126 N N . VAL A 1 18 ? -2.501 -15.411 4.243 1.00 17.71 ? 18 VAL A N 1 ATOM 127 C CA . VAL A 1 18 ? -1.608 -16.371 3.541 1.00 17.66 ? 18 VAL A CA 1 ATOM 128 C C . VAL A 1 18 ? -2.277 -16.866 2.231 1.00 19.44 ? 18 VAL A C 1 ATOM 129 O O . VAL A 1 18 ? -1.653 -16.895 1.104 1.00 21.19 ? 18 VAL A O 1 ATOM 130 C CB . VAL A 1 18 ? -1.258 -17.571 4.455 1.00 16.87 ? 18 VAL A CB 1 ATOM 131 C CG1 . VAL A 1 18 ? -0.656 -18.756 3.583 1.00 17.38 ? 18 VAL A CG1 1 ATOM 132 C CG2 . VAL A 1 18 ? -0.229 -17.091 5.499 1.00 18.12 ? 18 VAL A CG2 1 ATOM 133 N N . ALA A 1 19 ? -3.546 -17.257 2.339 1.00 19.80 ? 19 ALA A N 1 ATOM 134 C CA . ALA A 1 19 ? -4.232 -17.779 1.188 1.00 19.92 ? 19 ALA A CA 1 ATOM 135 C C . ALA A 1 19 ? -4.278 -16.723 0.036 1.00 21.66 ? 19 ALA A C 1 ATOM 136 O O . ALA A 1 19 ? -4.131 -17.045 -1.159 1.00 21.75 ? 19 ALA A O 1 ATOM 137 C CB . ALA A 1 19 ? -5.650 -18.258 1.584 1.00 22.12 ? 19 ALA A CB 1 ATOM 138 N N . HIS A 1 20 ? -4.549 -15.469 0.405 1.00 19.25 ? 20 HIS A N 1 ATOM 139 C CA . HIS A 1 20 ? -4.551 -14.361 -0.597 1.00 21.06 ? 20 HIS A CA 1 ATOM 140 C C . HIS A 1 20 ? -3.165 -14.193 -1.202 1.00 18.92 ? 20 HIS A C 1 ATOM 141 O O . HIS A 1 20 ? -2.990 -13.969 -2.401 1.00 22.76 ? 20 HIS A O 1 ATOM 142 C CB . HIS A 1 20 ? -5.002 -13.029 0.150 1.00 18.18 ? 20 HIS A CB 1 ATOM 143 C CG . HIS A 1 20 ? -6.493 -12.852 0.196 1.00 18.11 ? 20 HIS A CG 1 ATOM 144 N ND1 . HIS A 1 20 ? -7.264 -12.760 -0.941 1.00 20.07 ? 20 HIS A ND1 1 ATOM 145 C CD2 . HIS A 1 20 ? -7.346 -12.708 1.246 1.00 19.11 ? 20 HIS A CD2 1 ATOM 146 C CE1 . HIS A 1 20 ? -8.537 -12.578 -0.602 1.00 17.93 ? 20 HIS A CE1 1 ATOM 147 N NE2 . HIS A 1 20 ? -8.603 -12.518 0.722 1.00 21.00 ? 20 HIS A NE2 1 ATOM 148 N N . GLY A 1 21 ? -2.161 -14.354 -0.367 1.00 21.66 ? 21 GLY A N 1 ATOM 149 C CA . GLY A 1 21 ? -0.755 -14.064 -0.759 1.00 19.59 ? 21 GLY A CA 1 ATOM 150 C C . GLY A 1 21 ? -0.301 -15.063 -1.753 1.00 22.09 ? 21 GLY A C 1 ATOM 151 O O . GLY A 1 21 ? 0.373 -14.690 -2.713 1.00 22.92 ? 21 GLY A O 1 ATOM 152 N N . LYS A 1 22 ? -0.689 -16.328 -1.544 1.00 22.15 ? 22 LYS A N 1 ATOM 153 C CA . LYS A 1 22 ? -0.359 -17.378 -2.476 1.00 23.58 ? 22 LYS A CA 1 ATOM 154 C C . LYS A 1 22 ? -1.027 -17.158 -3.825 1.00 24.97 ? 22 LYS A C 1 ATOM 155 O O . LYS A 1 22 ? -0.549 -17.674 -4.840 1.00 26.14 ? 22 LYS A O 1 ATOM 156 C CB . LYS A 1 22 ? -0.784 -18.727 -1.931 1.00 24.33 ? 22 LYS A CB 1 ATOM 157 C CG . LYS A 1 22 ? -0.031 -19.122 -0.633 1.00 24.87 ? 22 LYS A CG 1 ATOM 158 C CD . LYS A 1 22 ? -0.654 -20.454 -0.180 1.00 30.56 ? 22 LYS A CD 1 ATOM 159 C CE . LYS A 1 22 ? 0.102 -21.210 0.927 1.00 37.21 ? 22 LYS A CE 1 ATOM 160 N NZ . LYS A 1 22 ? -0.850 -22.262 1.500 1.00 37.00 ? 22 LYS A NZ 1 ATOM 161 N N . GLU A 1 23 ? -2.108 -16.384 -3.850 1.00 22.82 ? 23 GLU A N 1 ATOM 162 C CA . GLU A 1 23 ? -2.789 -16.034 -5.073 1.00 26.22 ? 23 GLU A CA 1 ATOM 163 C C . GLU A 1 23 ? -2.282 -14.724 -5.600 1.00 26.79 ? 23 GLU A C 1 ATOM 164 O O . GLU A 1 23 ? -2.745 -14.251 -6.660 1.00 28.96 ? 23 GLU A O 1 ATOM 165 C CB . GLU A 1 23 ? -4.279 -15.913 -4.843 1.00 26.00 ? 23 GLU A CB 1 ATOM 166 C CG . GLU A 1 23 ? -5.012 -17.232 -4.643 1.00 27.37 ? 23 GLU A CG 1 ATOM 167 C CD . GLU A 1 23 ? -4.955 -18.092 -5.871 1.00 31.23 ? 23 GLU A CD 1 ATOM 168 O OE1 . GLU A 1 23 ? -5.747 -17.834 -6.808 1.00 31.66 ? 23 GLU A OE1 1 ATOM 169 O OE2 . GLU A 1 23 ? -4.155 -19.044 -5.892 1.00 32.59 ? 23 GLU A OE2 1 ATOM 170 N N . GLY A 1 24 ? -1.333 -14.134 -4.899 1.00 25.13 ? 24 GLY A N 1 ATOM 171 C CA . GLY A 1 24 ? -0.779 -12.815 -5.306 1.00 26.98 ? 24 GLY A CA 1 ATOM 172 C C . GLY A 1 24 ? -1.744 -11.643 -5.030 1.00 26.10 ? 24 GLY A C 1 ATOM 173 O O . GLY A 1 24 ? -1.612 -10.554 -5.604 1.00 27.11 ? 24 GLY A O 1 ATOM 174 N N . HIS A 1 25 ? -2.718 -11.851 -4.145 1.00 25.14 ? 25 HIS A N 1 ATOM 175 C CA . HIS A 1 25 ? -3.683 -10.804 -3.754 1.00 23.30 ? 25 HIS A CA 1 ATOM 176 C C . HIS A 1 25 ? -3.103 -9.879 -2.705 1.00 23.07 ? 25 HIS A C 1 ATOM 177 O O . HIS A 1 25 ? -3.520 -9.915 -1.531 1.00 18.33 ? 25 HIS A O 1 ATOM 178 C CB . HIS A 1 25 ? -4.973 -11.456 -3.177 1.00 23.55 ? 25 HIS A CB 1 ATOM 179 C CG . HIS A 1 25 ? -5.745 -12.288 -4.165 1.00 23.28 ? 25 HIS A CG 1 ATOM 180 N ND1 . HIS A 1 25 ? -6.703 -13.203 -3.780 1.00 22.62 ? 25 HIS A ND1 1 ATOM 181 C CD2 . HIS A 1 25 ? -5.693 -12.350 -5.515 1.00 27.87 ? 25 HIS A CD2 1 ATOM 182 C CE1 . HIS A 1 25 ? -7.224 -13.776 -4.844 1.00 22.22 ? 25 HIS A CE1 1 ATOM 183 N NE2 . HIS A 1 25 ? -6.649 -13.258 -5.917 1.00 25.98 ? 25 HIS A NE2 1 ATOM 184 N N . THR A 1 26 ? -2.182 -9.003 -3.111 1.00 24.45 ? 26 THR A N 1 ATOM 185 C CA . THR A 1 26 ? -1.438 -8.209 -2.128 1.00 23.29 ? 26 THR A CA 1 ATOM 186 C C . THR A 1 26 ? -2.317 -7.369 -1.213 1.00 21.82 ? 26 THR A C 1 ATOM 187 O O . THR A 1 26 ? -2.130 -7.388 -0.005 1.00 21.76 ? 26 THR A O 1 ATOM 188 C CB . THR A 1 26 ? -0.355 -7.347 -2.823 1.00 24.93 ? 26 THR A CB 1 ATOM 189 O OG1 . THR A 1 26 ? 0.320 -8.164 -3.764 1.00 23.37 ? 26 THR A OG1 1 ATOM 190 C CG2 . THR A 1 26 ? 0.680 -6.883 -1.797 1.00 26.31 ? 26 THR A CG2 1 ATOM 191 N N . ASP A 1 27 ? -3.286 -6.664 -1.755 1.00 24.16 ? 27 ASP A N 1 ATOM 192 C CA . ASP A 1 27 ? -4.089 -5.747 -0.942 1.00 24.78 ? 27 ASP A CA 1 ATOM 193 C C . ASP A 1 27 ? -4.947 -6.504 0.059 1.00 23.44 ? 27 ASP A C 1 ATOM 194 O O . ASP A 1 27 ? -5.212 -6.022 1.153 1.00 22.72 ? 27 ASP A O 1 ATOM 195 C CB . ASP A 1 27 ? -5.020 -4.912 -1.808 1.00 26.30 ? 27 ASP A CB 1 ATOM 196 C CG . ASP A 1 27 ? -4.292 -3.853 -2.585 1.00 35.11 ? 27 ASP A CG 1 ATOM 197 O OD1 . ASP A 1 27 ? -3.214 -3.401 -2.167 1.00 40.26 ? 27 ASP A OD1 1 ATOM 198 O OD2 . ASP A 1 27 ? -4.790 -3.477 -3.631 1.00 38.99 ? 27 ASP A OD2 1 ATOM 199 N N . GLN A 1 28 ? -5.466 -7.663 -0.362 1.00 22.92 ? 28 GLN A N 1 ATOM 200 C CA . GLN A 1 28 ? -6.260 -8.526 0.513 1.00 20.20 ? 28 GLN A CA 1 ATOM 201 C C . GLN A 1 28 ? -5.390 -9.205 1.590 1.00 19.46 ? 28 GLN A C 1 ATOM 202 O O . GLN A 1 28 ? -5.793 -9.277 2.772 1.00 17.36 ? 28 GLN A O 1 ATOM 203 C CB . GLN A 1 28 ? -7.070 -9.539 -0.360 1.00 22.38 ? 28 GLN A CB 1 ATOM 204 C CG A GLN A 1 28 ? -8.117 -8.878 -1.336 0.50 21.50 ? 28 GLN A CG 1 ATOM 205 C CG B GLN A 1 28 ? -8.493 -9.038 -0.845 0.50 25.98 ? 28 GLN A CG 1 ATOM 206 C CD A GLN A 1 28 ? -7.511 -7.995 -2.439 0.50 19.52 ? 28 GLN A CD 1 ATOM 207 C CD B GLN A 1 28 ? -9.178 -8.075 0.116 0.50 29.66 ? 28 GLN A CD 1 ATOM 208 O OE1 A GLN A 1 28 ? -6.466 -8.321 -3.058 0.50 15.80 ? 28 GLN A OE1 1 ATOM 209 O OE1 B GLN A 1 28 ? -9.493 -6.948 -0.266 0.50 34.81 ? 28 GLN A OE1 1 ATOM 210 N NE2 A GLN A 1 28 ? -8.213 -6.886 -2.737 0.50 19.48 ? 28 GLN A NE2 1 ATOM 211 N NE2 B GLN A 1 28 ? -9.428 -8.511 1.362 0.50 29.60 ? 28 GLN A NE2 1 ATOM 212 N N . LEU A 1 29 ? -4.157 -9.615 1.242 1.00 19.40 ? 29 LEU A N 1 ATOM 213 C CA . LEU A 1 29 ? -3.241 -10.081 2.267 1.00 18.02 ? 29 LEU A CA 1 ATOM 214 C C . LEU A 1 29 ? -3.053 -8.946 3.278 1.00 17.26 ? 29 LEU A C 1 ATOM 215 O O . LEU A 1 29 ? -3.067 -9.160 4.530 1.00 17.14 ? 29 LEU A O 1 ATOM 216 C CB . LEU A 1 29 ? -1.860 -10.481 1.632 1.00 19.63 ? 29 LEU A CB 1 ATOM 217 C CG . LEU A 1 29 ? -0.755 -10.795 2.660 1.00 16.94 ? 29 LEU A CG 1 ATOM 218 C CD1 . LEU A 1 29 ? 0.238 -11.818 2.088 1.00 17.40 ? 29 LEU A CD1 1 ATOM 219 C CD2 . LEU A 1 29 ? 0.022 -9.515 3.073 1.00 17.98 ? 29 LEU A CD2 1 ATOM 220 N N . LEU A 1 30 ? -2.880 -7.729 2.783 1.00 18.06 ? 30 LEU A N 1 ATOM 221 C CA . LEU A 1 30 ? -2.622 -6.594 3.693 1.00 17.84 ? 30 LEU A CA 1 ATOM 222 C C . LEU A 1 30 ? -3.829 -6.374 4.604 1.00 17.85 ? 30 LEU A C 1 ATOM 223 O O . LEU A 1 30 ? -3.681 -6.132 5.819 1.00 18.59 ? 30 LEU A O 1 ATOM 224 C CB . LEU A 1 30 ? -2.319 -5.317 2.895 1.00 18.53 ? 30 LEU A CB 1 ATOM 225 C CG . LEU A 1 30 ? -0.890 -5.402 2.287 1.00 21.18 ? 30 LEU A CG 1 ATOM 226 C CD1 . LEU A 1 30 ? -0.715 -4.257 1.330 1.00 23.57 ? 30 LEU A CD1 1 ATOM 227 C CD2 . LEU A 1 30 ? 0.184 -5.393 3.428 1.00 21.26 ? 30 LEU A CD2 1 ATOM 228 N N . GLU A 1 31 ? -5.021 -6.422 4.009 1.00 17.13 ? 31 GLU A N 1 ATOM 229 C CA . GLU A 1 31 ? -6.233 -6.168 4.774 1.00 17.31 ? 31 GLU A CA 1 ATOM 230 C C . GLU A 1 31 ? -6.327 -7.155 5.926 1.00 15.61 ? 31 GLU A C 1 ATOM 231 O O . GLU A 1 31 ? -6.555 -6.764 7.104 1.00 15.70 ? 31 GLU A O 1 ATOM 232 C CB . GLU A 1 31 ? -7.451 -6.218 3.862 1.00 19.95 ? 31 GLU A CB 1 ATOM 233 C CG . GLU A 1 31 ? -7.576 -4.857 3.218 1.00 28.67 ? 31 GLU A CG 1 ATOM 234 C CD . GLU A 1 31 ? -8.976 -4.481 2.783 1.00 44.21 ? 31 GLU A CD 1 ATOM 235 O OE1 . GLU A 1 31 ? -9.138 -4.292 1.542 1.00 48.49 ? 31 GLU A OE1 1 ATOM 236 O OE2 . GLU A 1 31 ? -9.897 -4.365 3.653 1.00 45.81 ? 31 GLU A OE2 1 ATOM 237 N N . HIS A 1 32 ? -6.140 -8.441 5.618 1.00 14.91 ? 32 HIS A N 1 ATOM 238 C CA . HIS A 1 32 ? -6.168 -9.486 6.669 1.00 13.96 ? 32 HIS A CA 1 ATOM 239 C C . HIS A 1 32 ? -5.038 -9.513 7.634 1.00 14.39 ? 32 HIS A C 1 ATOM 240 O O . HIS A 1 32 ? -5.292 -9.769 8.821 1.00 14.29 ? 32 HIS A O 1 ATOM 241 C CB . HIS A 1 32 ? -6.383 -10.865 6.019 1.00 14.83 ? 32 HIS A CB 1 ATOM 242 C CG . HIS A 1 32 ? -7.757 -11.009 5.478 1.00 15.41 ? 32 HIS A CG 1 ATOM 243 N ND1 . HIS A 1 32 ? -8.824 -11.300 6.285 1.00 16.83 ? 32 HIS A ND1 1 ATOM 244 C CD2 . HIS A 1 32 ? -8.256 -10.850 4.220 1.00 14.94 ? 32 HIS A CD2 1 ATOM 245 C CE1 . HIS A 1 32 ? -9.928 -11.342 5.554 1.00 20.18 ? 32 HIS A CE1 1 ATOM 246 N NE2 . HIS A 1 32 ? -9.611 -11.053 4.303 1.00 19.38 ? 32 HIS A NE2 1 ATOM 247 N N . ALA A 1 33 ? -3.800 -9.239 7.185 1.00 13.67 ? 33 ALA A N 1 ATOM 248 C CA . ALA A 1 33 ? -2.639 -9.137 8.063 1.00 15.35 ? 33 ALA A CA 1 ATOM 249 C C . ALA A 1 33 ? -2.931 -8.008 9.071 1.00 13.85 ? 33 ALA A C 1 ATOM 250 O O . ALA A 1 33 ? -2.623 -8.145 10.270 1.00 14.50 ? 33 ALA A O 1 ATOM 251 C CB . ALA A 1 33 ? -1.351 -8.799 7.270 1.00 14.76 ? 33 ALA A CB 1 ATOM 252 N N . LYS A 1 34 ? -3.518 -6.896 8.590 1.00 15.43 ? 34 LYS A N 1 ATOM 253 C CA . LYS A 1 34 ? -3.767 -5.804 9.529 1.00 14.06 ? 34 LYS A CA 1 ATOM 254 C C . LYS A 1 34 ? -4.857 -6.159 10.570 1.00 15.36 ? 34 LYS A C 1 ATOM 255 O O . LYS A 1 34 ? -4.715 -5.774 11.720 1.00 16.57 ? 34 LYS A O 1 ATOM 256 C CB . LYS A 1 34 ? -4.134 -4.551 8.819 1.00 15.68 ? 34 LYS A CB 1 ATOM 257 C CG . LYS A 1 34 ? -2.867 -3.966 8.071 1.00 13.81 ? 34 LYS A CG 1 ATOM 258 C CD . LYS A 1 34 ? -3.312 -2.744 7.210 1.00 20.66 ? 34 LYS A CD 1 ATOM 259 C CE . LYS A 1 34 ? -2.197 -2.311 6.320 1.00 23.92 ? 34 LYS A CE 1 ATOM 260 N NZ . LYS A 1 34 ? -2.665 -1.203 5.440 1.00 27.46 ? 34 LYS A NZ 1 ATOM 261 N N . GLU A 1 35 ? -5.904 -6.869 10.158 1.00 15.78 ? 35 GLU A N 1 ATOM 262 C CA . GLU A 1 35 ? -6.926 -7.351 11.072 1.00 15.99 ? 35 GLU A CA 1 ATOM 263 C C . GLU A 1 35 ? -6.299 -8.346 12.034 1.00 15.53 ? 35 GLU A C 1 ATOM 264 O O . GLU A 1 35 ? -6.586 -8.287 13.210 1.00 16.02 ? 35 GLU A O 1 ATOM 265 C CB . GLU A 1 35 ? -8.166 -7.915 10.344 1.00 16.78 ? 35 GLU A CB 1 ATOM 266 C CG A GLU A 1 35 ? -8.907 -6.876 9.483 0.50 19.30 ? 35 GLU A CG 1 ATOM 267 C CG B GLU A 1 35 ? -9.322 -6.966 10.672 0.50 21.62 ? 35 GLU A CG 1 ATOM 268 C CD A GLU A 1 35 ? -10.127 -7.412 8.742 0.50 20.01 ? 35 GLU A CD 1 ATOM 269 C CD B GLU A 1 35 ? -10.682 -7.506 10.467 0.50 23.45 ? 35 GLU A CD 1 ATOM 270 O OE1 A GLU A 1 35 ? -9.944 -8.072 7.675 0.50 26.43 ? 35 GLU A OE1 1 ATOM 271 O OE1 B GLU A 1 35 ? -10.900 -8.141 9.410 0.50 19.35 ? 35 GLU A OE1 1 ATOM 272 O OE2 A GLU A 1 35 ? -11.258 -7.123 9.190 0.50 24.54 ? 35 GLU A OE2 1 ATOM 273 O OE2 B GLU A 1 35 ? -11.541 -7.256 11.364 0.50 23.88 ? 35 GLU A OE2 1 ATOM 274 N N . SER A 1 36 ? -5.501 -9.290 11.505 1.00 12.92 ? 36 SER A N 1 ATOM 275 C CA . SER A 1 36 ? -4.799 -10.254 12.353 1.00 14.16 ? 36 SER A CA 1 ATOM 276 C C . SER A 1 36 ? -4.002 -9.555 13.420 1.00 12.60 ? 36 SER A C 1 ATOM 277 O O . SER A 1 36 ? -4.002 -9.938 14.596 1.00 14.61 ? 36 SER A O 1 ATOM 278 C CB . SER A 1 36 ? -3.856 -11.100 11.491 1.00 14.94 ? 36 SER A CB 1 ATOM 279 O OG . SER A 1 36 ? -3.333 -12.104 12.330 1.00 15.88 ? 36 SER A OG 1 ATOM 280 N N . LEU A 1 37 ? -3.308 -8.506 13.011 1.00 13.02 ? 37 LEU A N 1 ATOM 281 C CA . LEU A 1 37 ? -2.433 -7.750 13.931 1.00 13.56 ? 37 LEU A CA 1 ATOM 282 C C . LEU A 1 37 ? -3.188 -7.028 15.024 1.00 14.38 ? 37 LEU A C 1 ATOM 283 O O . LEU A 1 37 ? -2.792 -7.025 16.235 1.00 14.57 ? 37 LEU A O 1 ATOM 284 C CB . LEU A 1 37 ? -1.587 -6.809 13.061 1.00 15.18 ? 37 LEU A CB 1 ATOM 285 C CG . LEU A 1 37 ? -0.665 -5.905 13.897 1.00 16.62 ? 37 LEU A CG 1 ATOM 286 C CD1 . LEU A 1 37 ? 0.428 -6.789 14.658 1.00 18.35 ? 37 LEU A CD1 1 ATOM 287 C CD2 . LEU A 1 37 ? -0.047 -4.842 13.017 1.00 20.25 ? 37 LEU A CD2 1 ATOM 288 N N . THR A 1 38 ? -4.331 -6.470 14.648 1.00 15.61 ? 38 THR A N 1 ATOM 289 C CA . THR A 1 38 ? -5.171 -5.830 15.663 1.00 16.69 ? 38 THR A CA 1 ATOM 290 C C . THR A 1 38 ? -5.560 -6.833 16.729 1.00 16.89 ? 38 THR A C 1 ATOM 291 O O . THR A 1 38 ? -5.466 -6.552 17.960 1.00 17.99 ? 38 THR A O 1 ATOM 292 C CB . THR A 1 38 ? -6.398 -5.244 15.000 1.00 16.79 ? 38 THR A CB 1 ATOM 293 O OG1 . THR A 1 38 ? -5.961 -4.271 14.031 1.00 16.69 ? 38 THR A OG1 1 ATOM 294 C CG2 . THR A 1 38 ? -7.258 -4.486 16.060 1.00 18.09 ? 38 THR A CG2 1 ATOM 295 N N . HIS A 1 39 ? -5.981 -8.014 16.275 1.00 15.71 ? 39 HIS A N 1 ATOM 296 C CA . HIS A 1 39 ? -6.368 -9.065 17.234 1.00 16.22 ? 39 HIS A CA 1 ATOM 297 C C . HIS A 1 39 ? -5.182 -9.600 18.014 1.00 16.46 ? 39 HIS A C 1 ATOM 298 O O . HIS A 1 39 ? -5.308 -9.822 19.178 1.00 18.47 ? 39 HIS A O 1 ATOM 299 C CB . HIS A 1 39 ? -7.066 -10.215 16.529 1.00 16.18 ? 39 HIS A CB 1 ATOM 300 C CG . HIS A 1 39 ? -8.496 -9.930 16.226 1.00 14.09 ? 39 HIS A CG 1 ATOM 301 N ND1 . HIS A 1 39 ? -9.467 -9.935 17.210 1.00 14.36 ? 39 HIS A ND1 1 ATOM 302 C CD2 . HIS A 1 39 ? -9.106 -9.563 15.078 1.00 14.27 ? 39 HIS A CD2 1 ATOM 303 C CE1 . HIS A 1 39 ? -10.634 -9.628 16.657 1.00 18.34 ? 39 HIS A CE1 1 ATOM 304 N NE2 . HIS A 1 39 ? -10.446 -9.402 15.361 1.00 13.71 ? 39 HIS A NE2 1 ATOM 305 N N . ALA A 1 40 ? -4.049 -9.795 17.363 1.00 16.36 ? 40 ALA A N 1 ATOM 306 C CA . ALA A 1 40 ? -2.867 -10.283 18.047 1.00 17.07 ? 40 ALA A CA 1 ATOM 307 C C . ALA A 1 40 ? -2.438 -9.287 19.121 1.00 17.61 ? 40 ALA A C 1 ATOM 308 O O . ALA A 1 40 ? -2.061 -9.702 20.246 1.00 17.14 ? 40 ALA A O 1 ATOM 309 C CB . ALA A 1 40 ? -1.690 -10.592 17.055 1.00 16.40 ? 40 ALA A CB 1 ATOM 310 N N . LYS A 1 41 ? -2.490 -7.990 18.813 1.00 17.96 ? 41 LYS A N 1 ATOM 311 C CA . LYS A 1 41 ? -2.181 -6.990 19.835 1.00 18.88 ? 41 LYS A CA 1 ATOM 312 C C . LYS A 1 41 ? -3.194 -7.026 20.979 1.00 19.94 ? 41 LYS A C 1 ATOM 313 O O . LYS A 1 41 ? -2.829 -6.803 22.165 1.00 19.48 ? 41 LYS A O 1 ATOM 314 C CB . LYS A 1 41 ? -2.131 -5.550 19.234 1.00 19.65 ? 41 LYS A CB 1 ATOM 315 C CG . LYS A 1 41 ? -0.943 -5.309 18.312 1.00 19.40 ? 41 LYS A CG 1 ATOM 316 C CD . LYS A 1 41 ? -1.041 -3.902 17.691 1.00 21.97 ? 41 LYS A CD 1 ATOM 317 C CE A LYS A 1 41 ? 0.072 -3.688 16.663 0.50 28.59 ? 41 LYS A CE 1 ATOM 318 C CE B LYS A 1 41 ? 0.138 -3.617 16.791 0.50 23.48 ? 41 LYS A CE 1 ATOM 319 N NZ A LYS A 1 41 ? 1.470 -3.774 17.196 0.50 31.22 ? 41 LYS A NZ 1 ATOM 320 N NZ B LYS A 1 41 ? -0.061 -2.329 16.052 0.50 15.00 ? 41 LYS A NZ 1 ATOM 321 N N . ALA A 1 42 ? -4.473 -7.228 20.641 1.00 18.52 ? 42 ALA A N 1 ATOM 322 C CA . ALA A 1 42 ? -5.527 -7.313 21.664 1.00 20.34 ? 42 ALA A CA 1 ATOM 323 C C . ALA A 1 42 ? -5.334 -8.604 22.547 1.00 22.44 ? 42 ALA A C 1 ATOM 324 O O . ALA A 1 42 ? -5.691 -8.623 23.722 1.00 22.85 ? 42 ALA A O 1 ATOM 325 C CB . ALA A 1 42 ? -6.841 -7.322 20.964 1.00 18.76 ? 42 ALA A CB 1 ATOM 326 N N . ALA A 1 43 ? -4.707 -9.627 21.977 1.00 23.38 ? 43 ALA A N 1 ATOM 327 C CA . ALA A 1 43 ? -4.437 -10.884 22.717 1.00 26.82 ? 43 ALA A CA 1 ATOM 328 C C . ALA A 1 43 ? -3.247 -10.718 23.638 1.00 30.36 ? 43 ALA A C 1 ATOM 329 O O . ALA A 1 43 ? -3.166 -11.394 24.676 1.00 33.32 ? 43 ALA A O 1 ATOM 330 C CB . ALA A 1 43 ? -4.154 -11.978 21.777 1.00 24.53 ? 43 ALA A CB 1 ATOM 331 N N . SER A 1 44 ? -2.288 -9.867 23.252 1.00 32.44 ? 44 SER A N 1 ATOM 332 C CA . SER A 1 44 ? -1.154 -9.620 24.124 1.00 36.22 ? 44 SER A CA 1 ATOM 333 C C . SER A 1 44 ? -1.709 -9.253 25.491 1.00 37.92 ? 44 SER A C 1 ATOM 334 O O . SER A 1 44 ? -0.965 -8.760 26.308 1.00 40.00 ? 44 SER A O 1 ATOM 335 C CB . SER A 1 44 ? -0.284 -8.461 23.667 1.00 37.45 ? 44 SER A CB 1 ATOM 336 O OG . SER A 1 44 ? 0.028 -8.620 22.340 1.00 39.18 ? 44 SER A OG 1 ATOM 337 N N . THR A 1 50 ? 4.738 -14.978 24.862 1.00 36.19 ? 50 THR A N 1 ATOM 338 C CA . THR A 1 50 ? 5.843 -14.659 23.948 1.00 36.12 ? 50 THR A CA 1 ATOM 339 C C . THR A 1 50 ? 5.540 -15.100 22.528 1.00 34.04 ? 50 THR A C 1 ATOM 340 O O . THR A 1 50 ? 6.015 -14.490 21.582 1.00 33.91 ? 50 THR A O 1 ATOM 341 C CB . THR A 1 50 ? 7.205 -15.283 24.402 1.00 39.12 ? 50 THR A CB 1 ATOM 342 O OG1 . THR A 1 50 ? 7.083 -16.711 24.414 1.00 41.86 ? 50 THR A OG1 1 ATOM 343 C CG2 . THR A 1 50 ? 7.611 -14.798 25.791 1.00 38.54 ? 50 THR A CG2 1 ATOM 344 N N . HIS A 1 51 ? 4.740 -16.155 22.379 1.00 33.83 ? 51 HIS A N 1 ATOM 345 C CA . HIS A 1 51 ? 4.279 -16.652 21.082 1.00 33.06 ? 51 HIS A CA 1 ATOM 346 C C . HIS A 1 51 ? 3.551 -15.504 20.385 1.00 30.71 ? 51 HIS A C 1 ATOM 347 O O . HIS A 1 51 ? 3.762 -15.251 19.189 1.00 29.64 ? 51 HIS A O 1 ATOM 348 C CB . HIS A 1 51 ? 3.274 -17.820 21.246 1.00 34.58 ? 51 HIS A CB 1 ATOM 349 C CG . HIS A 1 51 ? 3.362 -18.499 22.582 1.00 41.75 ? 51 HIS A CG 1 ATOM 350 N ND1 . HIS A 1 51 ? 4.272 -19.501 22.851 1.00 50.07 ? 51 HIS A ND1 1 ATOM 351 C CD2 . HIS A 1 51 ? 2.697 -18.274 23.742 1.00 44.99 ? 51 HIS A CD2 1 ATOM 352 C CE1 . HIS A 1 51 ? 4.152 -19.881 24.116 1.00 48.58 ? 51 HIS A CE1 1 ATOM 353 N NE2 . HIS A 1 51 ? 3.204 -19.149 24.678 1.00 48.63 ? 51 HIS A NE2 1 ATOM 354 N N . VAL A 1 52 ? 2.700 -14.811 21.141 1.00 28.80 ? 52 VAL A N 1 ATOM 355 C CA . VAL A 1 52 ? 1.893 -13.748 20.562 1.00 26.69 ? 52 VAL A CA 1 ATOM 356 C C . VAL A 1 52 ? 2.827 -12.651 20.085 1.00 25.71 ? 52 VAL A C 1 ATOM 357 O O . VAL A 1 52 ? 2.620 -12.121 19.021 1.00 23.81 ? 52 VAL A O 1 ATOM 358 C CB . VAL A 1 52 ? 0.790 -13.200 21.511 1.00 25.99 ? 52 VAL A CB 1 ATOM 359 C CG1 . VAL A 1 52 ? 0.046 -12.019 20.835 1.00 23.61 ? 52 VAL A CG1 1 ATOM 360 C CG2 . VAL A 1 52 ? -0.221 -14.318 21.786 1.00 27.00 ? 52 VAL A CG2 1 ATOM 361 N N . GLY A 1 53 ? 3.856 -12.350 20.877 1.00 25.59 ? 53 GLY A N 1 ATOM 362 C CA . GLY A 1 53 ? 4.799 -11.299 20.502 1.00 25.10 ? 53 GLY A CA 1 ATOM 363 C C . GLY A 1 53 ? 5.556 -11.642 19.246 1.00 24.23 ? 53 GLY A C 1 ATOM 364 O O . GLY A 1 53 ? 5.793 -10.780 18.446 1.00 21.49 ? 53 GLY A O 1 ATOM 365 N N . HIS A 1 54 ? 5.968 -12.905 19.090 1.00 23.71 ? 54 HIS A N 1 ATOM 366 C CA . HIS A 1 54 ? 6.545 -13.346 17.804 1.00 23.87 ? 54 HIS A CA 1 ATOM 367 C C . HIS A 1 54 ? 5.578 -13.224 16.659 1.00 22.12 ? 54 HIS A C 1 ATOM 368 O O . HIS A 1 54 ? 5.962 -12.735 15.571 1.00 22.32 ? 54 HIS A O 1 ATOM 369 C CB . HIS A 1 54 ? 7.148 -14.763 17.891 1.00 24.57 ? 54 HIS A CB 1 ATOM 370 C CG . HIS A 1 54 ? 8.399 -14.813 18.685 1.00 26.76 ? 54 HIS A CG 1 ATOM 371 N ND1 . HIS A 1 54 ? 8.547 -15.581 19.826 1.00 27.93 ? 54 HIS A ND1 1 ATOM 372 C CD2 . HIS A 1 54 ? 9.584 -14.198 18.488 1.00 28.91 ? 54 HIS A CD2 1 ATOM 373 C CE1 . HIS A 1 54 ? 9.763 -15.416 20.303 1.00 29.33 ? 54 HIS A CE1 1 ATOM 374 N NE2 . HIS A 1 54 ? 10.413 -14.583 19.505 1.00 33.07 ? 54 HIS A NE2 1 ATOM 375 N N . GLY A 1 55 ? 4.320 -13.620 16.884 1.00 21.25 ? 55 GLY A N 1 ATOM 376 C CA . GLY A 1 55 ? 3.273 -13.460 15.874 1.00 19.92 ? 55 GLY A CA 1 ATOM 377 C C . GLY A 1 55 ? 3.136 -11.996 15.451 1.00 19.66 ? 55 GLY A C 1 ATOM 378 O O . GLY A 1 55 ? 3.036 -11.716 14.259 1.00 18.76 ? 55 GLY A O 1 ATOM 379 N N . ILE A 1 56 ? 3.067 -11.083 16.405 1.00 18.70 ? 56 ILE A N 1 ATOM 380 C CA . ILE A 1 56 ? 2.965 -9.646 16.121 1.00 19.51 ? 56 ILE A CA 1 ATOM 381 C C . ILE A 1 56 ? 4.120 -9.138 15.220 1.00 19.66 ? 56 ILE A C 1 ATOM 382 O O . ILE A 1 56 ? 3.896 -8.403 14.261 1.00 17.76 ? 56 ILE A O 1 ATOM 383 C CB . ILE A 1 56 ? 2.937 -8.846 17.440 1.00 18.73 ? 56 ILE A CB 1 ATOM 384 C CG1 . ILE A 1 56 ? 1.593 -9.082 18.149 1.00 16.73 ? 56 ILE A CG1 1 ATOM 385 C CG2 . ILE A 1 56 ? 3.228 -7.352 17.143 1.00 23.42 ? 56 ILE A CG2 1 ATOM 386 C CD1 . ILE A 1 56 ? 1.501 -8.442 19.601 1.00 21.67 ? 56 ILE A CD1 1 ATOM 387 N N . LYS A 1 57 ? 5.344 -9.575 15.533 1.00 21.88 ? 57 LYS A N 1 ATOM 388 C CA . LYS A 1 57 ? 6.563 -9.163 14.817 1.00 23.12 ? 57 LYS A CA 1 ATOM 389 C C . LYS A 1 57 ? 6.446 -9.625 13.392 1.00 20.29 ? 57 LYS A C 1 ATOM 390 O O . LYS A 1 57 ? 6.689 -8.849 12.445 1.00 20.57 ? 57 LYS A O 1 ATOM 391 C CB . LYS A 1 57 ? 7.856 -9.709 15.474 1.00 24.70 ? 57 LYS A CB 1 ATOM 392 C CG . LYS A 1 57 ? 8.390 -8.798 16.613 1.00 33.29 ? 57 LYS A CG 1 ATOM 393 C CD . LYS A 1 57 ? 9.245 -9.455 17.770 1.00 34.76 ? 57 LYS A CD 1 ATOM 394 C CE . LYS A 1 57 ? 9.726 -8.354 18.740 1.00 37.91 ? 57 LYS A CE 1 ATOM 395 N NZ . LYS A 1 57 ? 10.681 -8.714 19.892 1.00 45.06 ? 57 LYS A NZ 1 ATOM 396 N N . HIS A 1 58 ? 6.035 -10.876 13.197 1.00 17.99 ? 58 HIS A N 1 ATOM 397 C CA . HIS A 1 58 ? 5.889 -11.392 11.846 1.00 17.85 ? 58 HIS A CA 1 ATOM 398 C C . HIS A 1 58 ? 4.766 -10.716 11.071 1.00 17.15 ? 58 HIS A C 1 ATOM 399 O O . HIS A 1 58 ? 4.896 -10.514 9.880 1.00 18.30 ? 58 HIS A O 1 ATOM 400 C CB . HIS A 1 58 ? 5.641 -12.927 11.821 1.00 14.44 ? 58 HIS A CB 1 ATOM 401 C CG . HIS A 1 58 ? 6.876 -13.731 12.050 1.00 17.24 ? 58 HIS A CG 1 ATOM 402 N ND1 . HIS A 1 58 ? 7.902 -13.825 11.118 1.00 19.97 ? 58 HIS A ND1 1 ATOM 403 C CD2 . HIS A 1 58 ? 7.285 -14.416 13.128 1.00 19.61 ? 58 HIS A CD2 1 ATOM 404 C CE1 . HIS A 1 58 ? 8.872 -14.569 11.618 1.00 24.44 ? 58 HIS A CE1 1 ATOM 405 N NE2 . HIS A 1 58 ? 8.529 -14.927 12.844 1.00 23.30 ? 58 HIS A NE2 1 ATOM 406 N N . LEU A 1 59 ? 3.637 -10.456 11.718 1.00 16.07 ? 59 LEU A N 1 ATOM 407 C CA . LEU A 1 59 ? 2.552 -9.730 11.057 1.00 17.23 ? 59 LEU A CA 1 ATOM 408 C C . LEU A 1 59 ? 3.007 -8.352 10.628 1.00 16.96 ? 59 LEU A C 1 ATOM 409 O O . LEU A 1 59 ? 2.651 -7.897 9.569 1.00 18.06 ? 59 LEU A O 1 ATOM 410 C CB . LEU A 1 59 ? 1.346 -9.600 11.982 1.00 15.93 ? 59 LEU A CB 1 ATOM 411 C CG . LEU A 1 59 ? 0.589 -10.939 12.180 1.00 15.37 ? 59 LEU A CG 1 ATOM 412 C CD1 . LEU A 1 59 ? -0.390 -10.777 13.359 1.00 15.86 ? 59 LEU A CD1 1 ATOM 413 C CD2 . LEU A 1 59 ? -0.105 -11.490 10.905 1.00 13.99 ? 59 LEU A CD2 1 ATOM 414 N N . GLU A 1 60 ? 3.786 -7.698 11.448 1.00 17.97 ? 60 GLU A N 1 ATOM 415 C CA . GLU A 1 60 ? 4.264 -6.334 11.124 1.00 19.84 ? 60 GLU A CA 1 ATOM 416 C C . GLU A 1 60 ? 5.191 -6.440 9.905 1.00 21.12 ? 60 GLU A C 1 ATOM 417 O O . GLU A 1 60 ? 5.136 -5.627 8.981 1.00 21.26 ? 60 GLU A O 1 ATOM 418 C CB . GLU A 1 60 ? 5.001 -5.759 12.329 1.00 21.72 ? 60 GLU A CB 1 ATOM 419 C CG . GLU A 1 60 ? 4.028 -5.303 13.470 1.00 22.53 ? 60 GLU A CG 1 ATOM 420 C CD . GLU A 1 60 ? 4.719 -4.881 14.805 1.00 29.10 ? 60 GLU A CD 1 ATOM 421 O OE1 . GLU A 1 60 ? 4.006 -4.359 15.699 1.00 37.29 ? 60 GLU A OE1 1 ATOM 422 O OE2 . GLU A 1 60 ? 5.941 -5.093 14.993 1.00 35.38 ? 60 GLU A OE2 1 ATOM 423 N N . ASP A 1 61 ? 6.051 -7.447 9.917 1.00 20.18 ? 61 ASP A N 1 ATOM 424 C CA . ASP A 1 61 ? 6.920 -7.724 8.791 1.00 22.60 ? 61 ASP A CA 1 ATOM 425 C C . ASP A 1 61 ? 6.136 -8.083 7.564 1.00 19.89 ? 61 ASP A C 1 ATOM 426 O O . ASP A 1 61 ? 6.514 -7.670 6.493 1.00 22.19 ? 61 ASP A O 1 ATOM 427 C CB . ASP A 1 61 ? 7.911 -8.869 9.090 1.00 22.56 ? 61 ASP A CB 1 ATOM 428 C CG . ASP A 1 61 ? 9.030 -8.435 9.998 1.00 29.29 ? 61 ASP A CG 1 ATOM 429 O OD1 . ASP A 1 61 ? 9.174 -7.194 10.201 1.00 31.59 ? 61 ASP A OD1 1 ATOM 430 O OD2 . ASP A 1 61 ? 9.746 -9.322 10.536 1.00 31.54 ? 61 ASP A OD2 1 ATOM 431 N N . ALA A 1 62 ? 5.073 -8.874 7.702 1.00 19.33 ? 62 ALA A N 1 ATOM 432 C CA . ALA A 1 62 ? 4.239 -9.227 6.548 1.00 19.17 ? 62 ALA A CA 1 ATOM 433 C C . ALA A 1 62 ? 3.646 -7.951 5.949 1.00 19.71 ? 62 ALA A C 1 ATOM 434 O O . ALA A 1 62 ? 3.616 -7.766 4.747 1.00 20.13 ? 62 ALA A O 1 ATOM 435 C CB . ALA A 1 62 ? 3.063 -10.211 6.954 1.00 16.58 ? 62 ALA A CB 1 ATOM 436 N N . ILE A 1 63 ? 3.196 -7.056 6.789 1.00 18.77 ? 63 ILE A N 1 ATOM 437 C CA . ILE A 1 63 ? 2.577 -5.815 6.261 1.00 19.37 ? 63 ILE A CA 1 ATOM 438 C C . ILE A 1 63 ? 3.614 -4.980 5.556 1.00 21.21 ? 63 ILE A C 1 ATOM 439 O O . ILE A 1 63 ? 3.380 -4.484 4.446 1.00 21.38 ? 63 ILE A O 1 ATOM 440 C CB . ILE A 1 63 ? 1.901 -5.014 7.397 1.00 18.66 ? 63 ILE A CB 1 ATOM 441 C CG1 . ILE A 1 63 ? 0.681 -5.809 7.897 1.00 17.16 ? 63 ILE A CG1 1 ATOM 442 C CG2 . ILE A 1 63 ? 1.498 -3.634 6.912 1.00 20.24 ? 63 ILE A CG2 1 ATOM 443 C CD1 . ILE A 1 63 ? 0.271 -5.521 9.338 1.00 16.82 ? 63 ILE A CD1 1 ATOM 444 N N . LYS A 1 64 ? 4.800 -4.860 6.160 1.00 21.60 ? 64 LYS A N 1 ATOM 445 C CA . LYS A 1 64 ? 5.850 -4.044 5.521 1.00 23.97 ? 64 LYS A CA 1 ATOM 446 C C . LYS A 1 64 ? 6.208 -4.593 4.123 1.00 24.76 ? 64 LYS A C 1 ATOM 447 O O . LYS A 1 64 ? 6.292 -3.853 3.159 1.00 26.48 ? 64 LYS A O 1 ATOM 448 C CB . LYS A 1 64 ? 7.099 -4.010 6.421 1.00 25.24 ? 64 LYS A CB 1 ATOM 449 C CG . LYS A 1 64 ? 8.328 -3.341 5.751 1.00 30.76 ? 64 LYS A CG 1 ATOM 450 C CD . LYS A 1 64 ? 7.982 -1.835 5.483 1.00 38.26 ? 64 LYS A CD 1 ATOM 451 C CE . LYS A 1 64 ? 9.179 -0.931 4.944 1.00 42.15 ? 64 LYS A CE 1 ATOM 452 N NZ . LYS A 1 64 ? 9.922 -0.223 6.076 1.00 49.63 ? 64 LYS A NZ 1 ATOM 453 N N . HIS A 1 65 ? 6.435 -5.892 4.021 1.00 23.08 ? 65 HIS A N 1 ATOM 454 C CA . HIS A 1 65 ? 6.783 -6.485 2.777 1.00 24.99 ? 65 HIS A CA 1 ATOM 455 C C . HIS A 1 65 ? 5.680 -6.429 1.745 1.00 24.83 ? 65 HIS A C 1 ATOM 456 O O . HIS A 1 65 ? 5.939 -6.199 0.557 1.00 24.25 ? 65 HIS A O 1 ATOM 457 C CB . HIS A 1 65 ? 7.266 -7.912 2.978 1.00 25.80 ? 65 HIS A CB 1 ATOM 458 C CG . HIS A 1 65 ? 8.642 -7.977 3.560 1.00 28.51 ? 65 HIS A CG 1 ATOM 459 N ND1 . HIS A 1 65 ? 9.771 -7.736 2.825 1.00 33.81 ? 65 HIS A ND1 1 ATOM 460 C CD2 . HIS A 1 65 ? 9.064 -8.248 4.818 1.00 29.23 ? 65 HIS A CD2 1 ATOM 461 C CE1 . HIS A 1 65 ? 10.841 -7.864 3.596 1.00 31.58 ? 65 HIS A CE1 1 ATOM 462 N NE2 . HIS A 1 65 ? 10.442 -8.177 4.813 1.00 28.02 ? 65 HIS A NE2 1 ATOM 463 N N . GLY A 1 66 ? 4.454 -6.699 2.181 1.00 23.21 ? 66 GLY A N 1 ATOM 464 C CA . GLY A 1 66 ? 3.304 -6.466 1.335 1.00 24.77 ? 66 GLY A CA 1 ATOM 465 C C . GLY A 1 66 ? 3.209 -5.040 0.790 1.00 27.87 ? 66 GLY A C 1 ATOM 466 O O . GLY A 1 66 ? 2.942 -4.812 -0.427 1.00 28.52 ? 66 GLY A O 1 ATOM 467 N N . GLU A 1 67 ? 3.391 -4.071 1.679 1.00 27.17 ? 67 GLU A N 1 ATOM 468 C CA . GLU A 1 67 ? 3.365 -2.701 1.235 1.00 31.45 ? 67 GLU A CA 1 ATOM 469 C C . GLU A 1 67 ? 4.512 -2.428 0.236 1.00 33.42 ? 67 GLU A C 1 ATOM 470 O O . GLU A 1 67 ? 4.374 -1.580 -0.632 1.00 36.04 ? 67 GLU A O 1 ATOM 471 C CB . GLU A 1 67 ? 3.353 -1.767 2.447 1.00 32.09 ? 67 GLU A CB 1 ATOM 472 C CG . GLU A 1 67 ? 2.162 -2.114 3.346 1.00 33.89 ? 67 GLU A CG 1 ATOM 473 C CD . GLU A 1 67 ? 1.554 -0.930 4.054 1.00 44.56 ? 67 GLU A CD 1 ATOM 474 O OE1 . GLU A 1 67 ? 2.352 -0.079 4.566 1.00 47.57 ? 67 GLU A OE1 1 ATOM 475 O OE2 . GLU A 1 67 ? 0.276 -0.847 4.077 1.00 44.20 ? 67 GLU A OE2 1 ATOM 476 N N . GLU A 1 68 ? 5.620 -3.170 0.361 1.00 32.98 ? 68 GLU A N 1 ATOM 477 C CA . GLU A 1 68 ? 6.759 -3.215 -0.572 1.00 35.29 ? 68 GLU A CA 1 ATOM 478 C C . GLU A 1 68 ? 6.641 -4.034 -1.873 1.00 34.94 ? 68 GLU A C 1 ATOM 479 O O . GLU A 1 68 ? 7.552 -4.034 -2.697 1.00 37.02 ? 68 GLU A O 1 ATOM 480 C CB . GLU A 1 68 ? 8.028 -3.668 0.152 1.00 34.48 ? 68 GLU A CB 1 ATOM 481 C CG . GLU A 1 68 ? 8.466 -2.630 1.192 1.00 38.38 ? 68 GLU A CG 1 ATOM 482 C CD . GLU A 1 68 ? 9.812 -2.916 1.862 1.00 42.11 ? 68 GLU A CD 1 ATOM 483 O OE1 . GLU A 1 68 ? 10.265 -2.014 2.626 1.00 50.39 ? 68 GLU A OE1 1 ATOM 484 O OE2 . GLU A 1 68 ? 10.433 -3.993 1.615 1.00 48.53 ? 68 GLU A OE2 1 ATOM 485 N N . GLY A 1 69 ? 5.555 -4.729 -2.067 1.00 32.95 ? 69 GLY A N 1 ATOM 486 C CA . GLY A 1 69 ? 5.299 -5.403 -3.335 1.00 34.37 ? 69 GLY A CA 1 ATOM 487 C C . GLY A 1 69 ? 5.874 -6.809 -3.372 1.00 34.34 ? 69 GLY A C 1 ATOM 488 O O . GLY A 1 69 ? 5.978 -7.415 -4.440 1.00 35.86 ? 69 GLY A O 1 ATOM 489 N N . HIS A 1 70 ? 6.266 -7.324 -2.210 1.00 31.64 ? 70 HIS A N 1 ATOM 490 C CA . HIS A 1 70 ? 6.854 -8.642 -2.130 1.00 29.82 ? 70 HIS A CA 1 ATOM 491 C C . HIS A 1 70 ? 5.898 -9.501 -1.409 1.00 26.64 ? 70 HIS A C 1 ATOM 492 O O . HIS A 1 70 ? 6.078 -9.787 -0.262 1.00 23.76 ? 70 HIS A O 1 ATOM 493 C CB . HIS A 1 70 ? 8.209 -8.622 -1.449 1.00 30.40 ? 70 HIS A CB 1 ATOM 494 C CG . HIS A 1 70 ? 9.219 -7.914 -2.267 1.00 31.97 ? 70 HIS A CG 1 ATOM 495 N ND1 . HIS A 1 70 ? 9.873 -6.787 -1.818 1.00 34.14 ? 70 HIS A ND1 1 ATOM 496 C CD2 . HIS A 1 70 ? 9.619 -8.109 -3.541 1.00 30.58 ? 70 HIS A CD2 1 ATOM 497 C CE1 . HIS A 1 70 ? 10.667 -6.335 -2.764 1.00 35.44 ? 70 HIS A CE1 1 ATOM 498 N NE2 . HIS A 1 70 ? 10.537 -7.119 -3.824 1.00 40.10 ? 70 HIS A NE2 1 ATOM 499 N N . VAL A 1 71 ? 4.886 -9.931 -2.139 1.00 25.00 ? 71 VAL A N 1 ATOM 500 C CA . VAL A 1 71 ? 3.824 -10.712 -1.564 1.00 24.55 ? 71 VAL A CA 1 ATOM 501 C C . VAL A 1 71 ? 4.272 -12.131 -1.187 1.00 24.59 ? 71 VAL A C 1 ATOM 502 O O . VAL A 1 71 ? 3.693 -12.713 -0.318 1.00 24.27 ? 71 VAL A O 1 ATOM 503 C CB . VAL A 1 71 ? 2.609 -10.759 -2.530 1.00 25.53 ? 71 VAL A CB 1 ATOM 504 C CG1 . VAL A 1 71 ? 2.954 -11.556 -3.760 1.00 28.16 ? 71 VAL A CG1 1 ATOM 505 C CG2 . VAL A 1 71 ? 1.286 -11.238 -1.798 1.00 22.71 ? 71 VAL A CG2 1 ATOM 506 N N . GLY A 1 72 ? 5.265 -12.685 -1.867 1.00 25.50 ? 72 GLY A N 1 ATOM 507 C CA . GLY A 1 72 ? 5.802 -13.974 -1.454 1.00 25.75 ? 72 GLY A CA 1 ATOM 508 C C . GLY A 1 72 ? 6.368 -13.806 -0.047 1.00 27.15 ? 72 GLY A C 1 ATOM 509 O O . GLY A 1 72 ? 6.161 -14.705 0.868 1.00 23.64 ? 72 GLY A O 1 ATOM 510 N N . VAL A 1 73 ? 7.103 -12.696 0.139 1.00 23.04 ? 73 VAL A N 1 ATOM 511 C CA . VAL A 1 73 ? 7.824 -12.527 1.413 1.00 24.01 ? 73 VAL A CA 1 ATOM 512 C C . VAL A 1 73 ? 6.793 -12.196 2.512 1.00 21.31 ? 73 VAL A C 1 ATOM 513 O O . VAL A 1 73 ? 6.873 -12.734 3.623 1.00 20.45 ? 73 VAL A O 1 ATOM 514 C CB . VAL A 1 73 ? 8.909 -11.451 1.358 1.00 25.29 ? 73 VAL A CB 1 ATOM 515 C CG1 . VAL A 1 73 ? 9.581 -11.337 2.760 1.00 25.63 ? 73 VAL A CG1 1 ATOM 516 C CG2 . VAL A 1 73 ? 9.975 -11.826 0.263 1.00 24.21 ? 73 VAL A CG2 1 ATOM 517 N N . ALA A 1 74 ? 5.818 -11.367 2.171 1.00 19.51 ? 74 ALA A N 1 ATOM 518 C CA . ALA A 1 74 ? 4.722 -11.091 3.111 1.00 19.01 ? 74 ALA A CA 1 ATOM 519 C C . ALA A 1 74 ? 3.977 -12.381 3.484 1.00 18.50 ? 74 ALA A C 1 ATOM 520 O O . ALA A 1 74 ? 3.689 -12.573 4.650 1.00 20.95 ? 74 ALA A O 1 ATOM 521 C CB . ALA A 1 74 ? 3.804 -10.081 2.521 1.00 19.17 ? 74 ALA A CB 1 ATOM 522 N N . THR A 1 75 ? 3.770 -13.298 2.535 1.00 19.19 ? 75 THR A N 1 ATOM 523 C CA . THR A 1 75 ? 3.101 -14.600 2.773 1.00 19.61 ? 75 THR A CA 1 ATOM 524 C C . THR A 1 75 ? 3.861 -15.468 3.789 1.00 19.35 ? 75 THR A C 1 ATOM 525 O O . THR A 1 75 ? 3.248 -16.010 4.739 1.00 18.60 ? 75 THR A O 1 ATOM 526 C CB . THR A 1 75 ? 2.887 -15.381 1.485 1.00 19.79 ? 75 THR A CB 1 ATOM 527 O OG1 . THR A 1 75 ? 1.988 -14.651 0.686 1.00 23.07 ? 75 THR A OG1 1 ATOM 528 C CG2 . THR A 1 75 ? 2.194 -16.778 1.759 1.00 22.07 ? 75 THR A CG2 1 ATOM 529 N N . LYS A 1 76 ? 5.175 -15.584 3.578 1.00 20.07 ? 76 LYS A N 1 ATOM 530 C CA . LYS A 1 76 ? 6.019 -16.389 4.402 1.00 20.04 ? 76 LYS A CA 1 ATOM 531 C C . LYS A 1 76 ? 5.944 -15.777 5.812 1.00 19.76 ? 76 LYS A C 1 ATOM 532 O O . LYS A 1 76 ? 5.855 -16.492 6.811 1.00 18.83 ? 76 LYS A O 1 ATOM 533 C CB . LYS A 1 76 ? 7.484 -16.362 3.866 1.00 20.28 ? 76 LYS A CB 1 ATOM 534 C CG . LYS A 1 76 ? 8.461 -16.909 4.836 1.00 23.08 ? 76 LYS A CG 1 ATOM 535 C CD . LYS A 1 76 ? 8.136 -18.374 5.097 1.00 28.54 ? 76 LYS A CD 1 ATOM 536 C CE . LYS A 1 76 ? 9.144 -19.012 6.030 1.00 32.31 ? 76 LYS A CE 1 ATOM 537 N NZ . LYS A 1 76 ? 8.811 -20.459 6.133 1.00 34.36 ? 76 LYS A NZ 1 ATOM 538 N N . HIS A 1 77 ? 5.965 -14.455 5.914 1.00 18.93 ? 77 HIS A N 1 ATOM 539 C CA . HIS A 1 77 ? 5.963 -13.898 7.280 1.00 18.59 ? 77 HIS A CA 1 ATOM 540 C C . HIS A 1 77 ? 4.619 -14.162 7.924 1.00 17.16 ? 77 HIS A C 1 ATOM 541 O O . HIS A 1 77 ? 4.544 -14.466 9.118 1.00 18.54 ? 77 HIS A O 1 ATOM 542 C CB . HIS A 1 77 ? 6.268 -12.396 7.274 1.00 17.18 ? 77 HIS A CB 1 ATOM 543 C CG . HIS A 1 77 ? 7.734 -12.081 7.390 1.00 19.87 ? 77 HIS A CG 1 ATOM 544 N ND1 . HIS A 1 77 ? 8.465 -12.289 8.553 1.00 22.62 ? 77 HIS A ND1 1 ATOM 545 C CD2 . HIS A 1 77 ? 8.605 -11.551 6.496 1.00 19.88 ? 77 HIS A CD2 1 ATOM 546 C CE1 . HIS A 1 77 ? 9.716 -11.916 8.353 1.00 23.58 ? 77 HIS A CE1 1 ATOM 547 N NE2 . HIS A 1 77 ? 9.817 -11.447 7.120 1.00 21.99 ? 77 HIS A NE2 1 ATOM 548 N N . ALA A 1 78 ? 3.539 -14.065 7.141 1.00 16.61 ? 78 ALA A N 1 ATOM 549 C CA . ALA A 1 78 ? 2.222 -14.417 7.663 1.00 16.47 ? 78 ALA A CA 1 ATOM 550 C C . ALA A 1 78 ? 2.130 -15.905 8.036 1.00 18.77 ? 78 ALA A C 1 ATOM 551 O O . ALA A 1 78 ? 1.546 -16.228 9.053 1.00 18.84 ? 78 ALA A O 1 ATOM 552 C CB . ALA A 1 78 ? 1.120 -14.007 6.696 1.00 15.85 ? 78 ALA A CB 1 ATOM 553 N N . GLN A 1 79 ? 2.697 -16.811 7.245 1.00 19.10 ? 79 GLN A N 1 ATOM 554 C CA . GLN A 1 79 ? 2.777 -18.206 7.698 1.00 21.93 ? 79 GLN A CA 1 ATOM 555 C C . GLN A 1 79 ? 3.520 -18.335 9.048 1.00 22.20 ? 79 GLN A C 1 ATOM 556 O O . GLN A 1 79 ? 3.093 -19.074 9.923 1.00 21.91 ? 79 GLN A O 1 ATOM 557 C CB . GLN A 1 79 ? 3.494 -19.049 6.636 1.00 23.20 ? 79 GLN A CB 1 ATOM 558 C CG . GLN A 1 79 ? 2.665 -19.131 5.356 1.00 27.35 ? 79 GLN A CG 1 ATOM 559 C CD . GLN A 1 79 ? 3.345 -19.914 4.218 1.00 30.48 ? 79 GLN A CD 1 ATOM 560 O OE1 . GLN A 1 79 ? 4.551 -19.760 3.962 1.00 30.60 ? 79 GLN A OE1 1 ATOM 561 N NE2 . GLN A 1 79 ? 2.559 -20.757 3.536 1.00 32.64 ? 79 GLN A NE2 1 ATOM 562 N N . GLU A 1 80 ? 4.657 -17.642 9.196 1.00 22.03 ? 80 GLU A N 1 ATOM 563 C CA . GLU A 1 80 ? 5.426 -17.665 10.455 1.00 22.89 ? 80 GLU A CA 1 ATOM 564 C C . GLU A 1 80 ? 4.577 -17.125 11.601 1.00 20.64 ? 80 GLU A C 1 ATOM 565 O O . GLU A 1 80 ? 4.582 -17.714 12.697 1.00 20.57 ? 80 GLU A O 1 ATOM 566 C CB . GLU A 1 80 ? 6.718 -16.868 10.324 1.00 24.72 ? 80 GLU A CB 1 ATOM 567 C CG . GLU A 1 80 ? 7.685 -17.509 9.358 1.00 28.04 ? 80 GLU A CG 1 ATOM 568 C CD . GLU A 1 80 ? 8.065 -18.887 9.776 1.00 34.62 ? 80 GLU A CD 1 ATOM 569 O OE1 . GLU A 1 80 ? 8.004 -19.802 8.944 1.00 42.16 ? 80 GLU A OE1 1 ATOM 570 O OE2 . GLU A 1 80 ? 8.436 -19.085 10.939 1.00 38.57 ? 80 GLU A OE2 1 ATOM 571 N N . ALA A 1 81 ? 3.814 -16.049 11.360 1.00 19.62 ? 81 ALA A N 1 ATOM 572 C CA . ALA A 1 81 ? 2.925 -15.521 12.389 1.00 18.26 ? 81 ALA A CA 1 ATOM 573 C C . ALA A 1 81 ? 1.901 -16.586 12.834 1.00 19.17 ? 81 ALA A C 1 ATOM 574 O O . ALA A 1 81 ? 1.684 -16.772 14.017 1.00 20.53 ? 81 ALA A O 1 ATOM 575 C CB . ALA A 1 81 ? 2.202 -14.268 11.872 1.00 16.39 ? 81 ALA A CB 1 ATOM 576 N N . ILE A 1 82 ? 1.312 -17.324 11.900 1.00 19.25 ? 82 ILE A N 1 ATOM 577 C CA . ILE A 1 82 ? 0.372 -18.372 12.261 1.00 20.43 ? 82 ILE A CA 1 ATOM 578 C C . ILE A 1 82 ? 1.014 -19.403 13.141 1.00 23.41 ? 82 ILE A C 1 ATOM 579 O O . ILE A 1 82 ? 0.398 -19.813 14.123 1.00 24.87 ? 82 ILE A O 1 ATOM 580 C CB . ILE A 1 82 ? -0.186 -19.056 11.010 1.00 20.12 ? 82 ILE A CB 1 ATOM 581 C CG1 . ILE A 1 82 ? -1.018 -18.037 10.246 1.00 18.66 ? 82 ILE A CG1 1 ATOM 582 C CG2 . ILE A 1 82 ? -1.002 -20.389 11.360 1.00 23.84 ? 82 ILE A CG2 1 ATOM 583 C CD1 . ILE A 1 82 ? -1.326 -18.498 8.777 1.00 21.79 ? 82 ILE A CD1 1 ATOM 584 N N . GLU A 1 83 ? 2.208 -19.872 12.778 1.00 24.54 ? 83 GLU A N 1 ATOM 585 C CA . GLU A 1 83 ? 2.909 -20.874 13.598 1.00 28.91 ? 83 GLU A CA 1 ATOM 586 C C . GLU A 1 83 ? 3.003 -20.431 15.066 1.00 29.19 ? 83 GLU A C 1 ATOM 587 O O . GLU A 1 83 ? 2.737 -21.198 16.005 1.00 29.58 ? 83 GLU A O 1 ATOM 588 C CB . GLU A 1 83 ? 4.311 -21.139 13.043 1.00 30.75 ? 83 GLU A CB 1 ATOM 589 C CG . GLU A 1 83 ? 4.289 -22.045 11.845 1.00 38.57 ? 83 GLU A CG 1 ATOM 590 C CD . GLU A 1 83 ? 5.633 -22.121 11.119 1.00 48.73 ? 83 GLU A CD 1 ATOM 591 O OE1 . GLU A 1 83 ? 6.697 -22.215 11.792 1.00 54.28 ? 83 GLU A OE1 1 ATOM 592 O OE2 . GLU A 1 83 ? 5.614 -22.098 9.865 1.00 51.96 ? 83 GLU A OE2 1 ATOM 593 N N . HIS A 1 84 ? 3.394 -19.175 15.257 1.00 27.35 ? 84 HIS A N 1 ATOM 594 C CA . HIS A 1 84 ? 3.565 -18.639 16.570 1.00 27.49 ? 84 HIS A CA 1 ATOM 595 C C . HIS A 1 84 ? 2.226 -18.448 17.251 1.00 28.05 ? 84 HIS A C 1 ATOM 596 O O . HIS A 1 84 ? 2.061 -18.831 18.413 1.00 30.10 ? 84 HIS A O 1 ATOM 597 C CB . HIS A 1 84 ? 4.307 -17.303 16.491 1.00 25.79 ? 84 HIS A CB 1 ATOM 598 C CG . HIS A 1 84 ? 5.792 -17.468 16.314 1.00 25.61 ? 84 HIS A CG 1 ATOM 599 N ND1 . HIS A 1 84 ? 6.629 -17.872 17.333 1.00 23.50 ? 84 HIS A ND1 1 ATOM 600 C CD2 . HIS A 1 84 ? 6.583 -17.288 15.228 1.00 25.40 ? 84 HIS A CD2 1 ATOM 601 C CE1 . HIS A 1 84 ? 7.873 -17.914 16.896 1.00 27.96 ? 84 HIS A CE1 1 ATOM 602 N NE2 . HIS A 1 84 ? 7.879 -17.529 15.628 1.00 24.11 ? 84 HIS A NE2 1 ATOM 603 N N . LEU A 1 85 ? 1.267 -17.861 16.558 1.00 25.44 ? 85 LEU A N 1 ATOM 604 C CA . LEU A 1 85 ? -0.031 -17.668 17.178 1.00 26.19 ? 85 LEU A CA 1 ATOM 605 C C . LEU A 1 85 ? -0.639 -19.006 17.568 1.00 28.82 ? 85 LEU A C 1 ATOM 606 O O . LEU A 1 85 ? -1.306 -19.083 18.585 1.00 29.29 ? 85 LEU A O 1 ATOM 607 C CB . LEU A 1 85 ? -0.997 -16.914 16.254 1.00 23.50 ? 85 LEU A CB 1 ATOM 608 C CG . LEU A 1 85 ? -0.607 -15.434 16.011 1.00 23.98 ? 85 LEU A CG 1 ATOM 609 C CD1 . LEU A 1 85 ? -1.239 -14.886 14.721 1.00 25.09 ? 85 LEU A CD1 1 ATOM 610 C CD2 . LEU A 1 85 ? -0.921 -14.536 17.229 1.00 22.82 ? 85 LEU A CD2 1 ATOM 611 N N . ARG A 1 86 ? -0.435 -20.037 16.754 1.00 31.46 ? 86 ARG A N 1 ATOM 612 C CA . ARG A 1 86 ? -0.981 -21.361 17.066 1.00 37.18 ? 86 ARG A CA 1 ATOM 613 C C . ARG A 1 86 ? -0.269 -21.968 18.249 1.00 41.83 ? 86 ARG A C 1 ATOM 614 O O . ARG A 1 86 ? -0.892 -22.665 19.052 1.00 45.42 ? 86 ARG A O 1 ATOM 615 C CB . ARG A 1 86 ? -0.893 -22.330 15.878 1.00 37.65 ? 86 ARG A CB 1 ATOM 616 C CG . ARG A 1 86 ? -1.942 -22.062 14.847 1.00 37.84 ? 86 ARG A CG 1 ATOM 617 C CD . ARG A 1 86 ? -2.029 -23.157 13.774 1.00 43.39 ? 86 ARG A CD 1 ATOM 618 N NE . ARG A 1 86 ? -3.207 -22.902 12.944 1.00 48.16 ? 86 ARG A NE 1 ATOM 619 C CZ . ARG A 1 86 ? -4.454 -23.222 13.315 1.00 51.62 ? 86 ARG A CZ 1 ATOM 620 N NH1 . ARG A 1 86 ? -5.499 -22.939 12.530 1.00 47.87 ? 86 ARG A NH1 1 ATOM 621 N NH2 . ARG A 1 86 ? -4.658 -23.831 14.485 1.00 53.68 ? 86 ARG A NH2 1 ATOM 622 N N . ALA A 1 87 ? 1.036 -21.735 18.353 1.00 43.71 ? 87 ALA A N 1 ATOM 623 C CA . ALA A 1 87 ? 1.786 -22.090 19.552 1.00 47.66 ? 87 ALA A CA 1 ATOM 624 C C . ALA A 1 87 ? 1.090 -21.556 20.819 1.00 48.58 ? 87 ALA A C 1 ATOM 625 O O . ALA A 1 87 ? 1.040 -22.239 21.830 1.00 51.09 ? 87 ALA A O 1 ATOM 626 C CB . ALA A 1 87 ? 3.248 -21.575 19.449 1.00 47.46 ? 87 ALA A CB 1 ATOM 627 N N . SER A 1 88 ? 0.510 -20.359 20.739 1.00 48.24 ? 88 SER A N 1 ATOM 628 C CA . SER A 1 88 ? -0.029 -19.636 21.913 1.00 48.95 ? 88 SER A CA 1 ATOM 629 C C . SER A 1 88 ? -1.491 -19.945 22.247 1.00 49.79 ? 88 SER A C 1 ATOM 630 O O . SER A 1 88 ? -1.764 -20.786 23.079 1.00 52.29 ? 88 SER A O 1 ATOM 631 C CB . SER A 1 88 ? 0.171 -18.125 21.737 1.00 46.84 ? 88 SER A CB 1 ATOM 632 O OG . SER A 1 88 ? -0.848 -17.373 22.386 1.00 47.17 ? 88 SER A OG 1 ATOM 633 N N . SER B 1 1 ? -9.147 -7.857 24.547 1.00 20.29 ? 1 SER B N 1 ATOM 634 C CA . SER B 1 1 ? -9.112 -6.780 25.620 1.00 21.08 ? 1 SER B CA 1 ATOM 635 C C . SER B 1 1 ? -10.534 -6.733 26.060 1.00 22.93 ? 1 SER B C 1 ATOM 636 O O . SER B 1 1 ? -11.386 -7.328 25.400 1.00 21.28 ? 1 SER B O 1 ATOM 637 C CB . SER B 1 1 ? -8.824 -5.424 24.994 1.00 20.06 ? 1 SER B CB 1 ATOM 638 O OG . SER B 1 1 ? -7.577 -5.495 24.382 1.00 21.55 ? 1 SER B OG 1 ATOM 639 N N . GLY B 1 2 ? -10.807 -6.053 27.169 1.00 23.87 ? 2 GLY B N 1 ATOM 640 C CA . GLY B 1 2 ? -12.151 -6.013 27.712 1.00 25.76 ? 2 GLY B CA 1 ATOM 641 C C . GLY B 1 2 ? -13.001 -5.044 26.892 1.00 24.18 ? 2 GLY B C 1 ATOM 642 O O . GLY B 1 2 ? -12.510 -4.260 26.062 1.00 21.52 ? 2 GLY B O 1 ATOM 643 N N . HIS B 1 3 ? -14.283 -5.009 27.222 1.00 25.44 ? 3 HIS B N 1 ATOM 644 C CA . HIS B 1 3 ? -15.228 -4.215 26.469 1.00 25.71 ? 3 HIS B CA 1 ATOM 645 C C . HIS B 1 3 ? -14.849 -2.736 26.383 1.00 24.90 ? 3 HIS B C 1 ATOM 646 O O . HIS B 1 3 ? -14.862 -2.149 25.293 1.00 23.74 ? 3 HIS B O 1 ATOM 647 C CB . HIS B 1 3 ? -16.601 -4.358 27.108 1.00 28.12 ? 3 HIS B CB 1 ATOM 648 C CG . HIS B 1 3 ? -17.646 -3.515 26.460 1.00 32.21 ? 3 HIS B CG 1 ATOM 649 N ND1 . HIS B 1 3 ? -18.305 -3.901 25.306 1.00 34.10 ? 3 HIS B ND1 1 ATOM 650 C CD2 . HIS B 1 3 ? -18.188 -2.321 26.831 1.00 36.18 ? 3 HIS B CD2 1 ATOM 651 C CE1 . HIS B 1 3 ? -19.168 -2.949 24.968 1.00 36.74 ? 3 HIS B CE1 1 ATOM 652 N NE2 . HIS B 1 3 ? -19.123 -1.990 25.879 1.00 35.82 ? 3 HIS B NE2 1 ATOM 653 N N . THR B 1 4 ? -14.558 -2.132 27.538 1.00 26.39 ? 4 THR B N 1 ATOM 654 C CA . THR B 1 4 ? -14.228 -0.718 27.602 1.00 25.57 ? 4 THR B CA 1 ATOM 655 C C . THR B 1 4 ? -12.975 -0.406 26.807 1.00 23.51 ? 4 THR B C 1 ATOM 656 O O . THR B 1 4 ? -12.949 0.648 26.129 1.00 21.85 ? 4 THR B O 1 ATOM 657 C CB . THR B 1 4 ? -14.089 -0.260 29.004 1.00 27.90 ? 4 THR B CB 1 ATOM 658 O OG1 . THR B 1 4 ? -15.344 -0.478 29.638 1.00 30.81 ? 4 THR B OG1 1 ATOM 659 C CG2 . THR B 1 4 ? -13.738 1.283 29.091 1.00 29.65 ? 4 THR B CG2 1 ATOM 660 N N . ALA B 1 5 ? -11.951 -1.286 26.883 1.00 22.69 ? 5 ALA B N 1 ATOM 661 C CA . ALA B 1 5 ? -10.673 -1.048 26.196 1.00 21.69 ? 5 ALA B CA 1 ATOM 662 C C . ALA B 1 5 ? -10.968 -1.001 24.728 1.00 20.52 ? 5 ALA B C 1 ATOM 663 O O . ALA B 1 5 ? -10.497 -0.138 24.014 1.00 19.46 ? 5 ALA B O 1 ATOM 664 C CB . ALA B 1 5 ? -9.640 -2.208 26.454 1.00 23.89 ? 5 ALA B CB 1 ATOM 665 N N . HIS B 1 6 ? -11.761 -1.947 24.246 1.00 19.52 ? 6 HIS B N 1 ATOM 666 C CA . HIS B 1 6 ? -12.122 -1.916 22.789 1.00 16.79 ? 6 HIS B CA 1 ATOM 667 C C . HIS B 1 6 ? -12.960 -0.727 22.356 1.00 17.30 ? 6 HIS B C 1 ATOM 668 O O . HIS B 1 6 ? -12.722 -0.183 21.290 1.00 16.76 ? 6 HIS B O 1 ATOM 669 C CB . HIS B 1 6 ? -12.855 -3.186 22.381 1.00 17.14 ? 6 HIS B CB 1 ATOM 670 C CG . HIS B 1 6 ? -11.988 -4.398 22.372 1.00 18.33 ? 6 HIS B CG 1 ATOM 671 N ND1 . HIS B 1 6 ? -10.914 -4.549 21.511 1.00 17.64 ? 6 HIS B ND1 1 ATOM 672 C CD2 . HIS B 1 6 ? -12.094 -5.555 23.060 1.00 18.49 ? 6 HIS B CD2 1 ATOM 673 C CE1 . HIS B 1 6 ? -10.373 -5.741 21.710 1.00 21.38 ? 6 HIS B CE1 1 ATOM 674 N NE2 . HIS B 1 6 ? -11.043 -6.342 22.679 1.00 17.02 ? 6 HIS B NE2 1 ATOM 675 N N . VAL B 1 7 ? -13.915 -0.289 23.181 1.00 18.75 ? 7 VAL B N 1 ATOM 676 C CA . VAL B 1 7 ? -14.676 0.870 22.799 1.00 20.01 ? 7 VAL B CA 1 ATOM 677 C C . VAL B 1 7 ? -13.731 2.050 22.708 1.00 21.27 ? 7 VAL B C 1 ATOM 678 O O . VAL B 1 7 ? -13.863 2.867 21.812 1.00 20.64 ? 7 VAL B O 1 ATOM 679 C CB . VAL B 1 7 ? -15.841 1.152 23.757 1.00 21.84 ? 7 VAL B CB 1 ATOM 680 C CG1 . VAL B 1 7 ? -16.499 2.484 23.440 1.00 23.80 ? 7 VAL B CG1 1 ATOM 681 C CG2 . VAL B 1 7 ? -16.902 -0.018 23.635 1.00 22.26 ? 7 VAL B CG2 1 ATOM 682 N N . ASP B 1 8 ? -12.835 2.175 23.689 1.00 20.66 ? 8 ASP B N 1 ATOM 683 C CA . ASP B 1 8 ? -11.935 3.332 23.715 1.00 21.27 ? 8 ASP B CA 1 ATOM 684 C C . ASP B 1 8 ? -11.013 3.335 22.504 1.00 19.72 ? 8 ASP B C 1 ATOM 685 O O . ASP B 1 8 ? -10.708 4.379 21.919 1.00 18.20 ? 8 ASP B O 1 ATOM 686 C CB . ASP B 1 8 ? -11.079 3.284 24.955 1.00 21.57 ? 8 ASP B CB 1 ATOM 687 C CG . ASP B 1 8 ? -11.822 3.672 26.224 1.00 28.45 ? 8 ASP B CG 1 ATOM 688 O OD1 . ASP B 1 8 ? -12.923 4.280 26.152 1.00 29.73 ? 8 ASP B OD1 1 ATOM 689 O OD2 . ASP B 1 8 ? -11.240 3.363 27.289 1.00 30.47 ? 8 ASP B OD2 1 ATOM 690 N N . GLU B 1 9 ? -10.487 2.158 22.154 1.00 18.33 ? 9 GLU B N 1 ATOM 691 C CA . GLU B 1 9 ? -9.683 2.043 20.929 1.00 19.42 ? 9 GLU B CA 1 ATOM 692 C C . GLU B 1 9 ? -10.499 2.336 19.672 1.00 17.47 ? 9 GLU B C 1 ATOM 693 O O . GLU B 1 9 ? -9.988 2.968 18.751 1.00 17.77 ? 9 GLU B O 1 ATOM 694 C CB . GLU B 1 9 ? -9.066 0.627 20.788 1.00 19.86 ? 9 GLU B CB 1 ATOM 695 C CG . GLU B 1 9 ? -7.890 0.421 21.733 1.00 29.42 ? 9 GLU B CG 1 ATOM 696 C CD . GLU B 1 9 ? -6.624 0.945 21.061 1.00 38.95 ? 9 GLU B CD 1 ATOM 697 O OE1 . GLU B 1 9 ? -6.062 0.191 20.253 1.00 45.65 ? 9 GLU B OE1 1 ATOM 698 O OE2 . GLU B 1 9 ? -6.236 2.118 21.270 1.00 41.84 ? 9 GLU B OE2 1 ATOM 699 N N . ALA B 1 10 ? -11.726 1.802 19.591 1.00 16.19 ? 10 ALA B N 1 ATOM 700 C CA . ALA B 1 10 ? -12.595 2.126 18.471 1.00 14.49 ? 10 ALA B CA 1 ATOM 701 C C . ALA B 1 10 ? -12.764 3.656 18.323 1.00 15.73 ? 10 ALA B C 1 ATOM 702 O O . ALA B 1 10 ? -12.715 4.207 17.216 1.00 15.50 ? 10 ALA B O 1 ATOM 703 C CB . ALA B 1 10 ? -13.965 1.418 18.649 1.00 15.19 ? 10 ALA B CB 1 ATOM 704 N N . VAL B 1 11 ? -13.018 4.346 19.417 1.00 15.70 ? 11 VAL B N 1 ATOM 705 C CA . VAL B 1 11 ? -13.227 5.783 19.343 1.00 17.45 ? 11 VAL B CA 1 ATOM 706 C C . VAL B 1 11 ? -11.959 6.473 18.867 1.00 18.22 ? 11 VAL B C 1 ATOM 707 O O . VAL B 1 11 ? -12.004 7.348 17.997 1.00 18.49 ? 11 VAL B O 1 ATOM 708 C CB . VAL B 1 11 ? -13.645 6.331 20.760 1.00 16.96 ? 11 VAL B CB 1 ATOM 709 C CG1 . VAL B 1 11 ? -13.539 7.860 20.813 1.00 19.90 ? 11 VAL B CG1 1 ATOM 710 C CG2 . VAL B 1 11 ? -15.064 5.880 21.055 1.00 17.53 ? 11 VAL B CG2 1 ATOM 711 N N . LYS B 1 12 ? -10.815 6.075 19.430 1.00 19.97 ? 12 LYS B N 1 ATOM 712 C CA . LYS B 1 12 ? -9.538 6.678 19.070 1.00 22.44 ? 12 LYS B CA 1 ATOM 713 C C . LYS B 1 12 ? -9.287 6.515 17.540 1.00 22.01 ? 12 LYS B C 1 ATOM 714 O O . LYS B 1 12 ? -8.854 7.447 16.872 1.00 20.94 ? 12 LYS B O 1 ATOM 715 C CB . LYS B 1 12 ? -8.439 5.956 19.824 1.00 23.36 ? 12 LYS B CB 1 ATOM 716 C CG . LYS B 1 12 ? -7.027 6.309 19.403 1.00 29.98 ? 12 LYS B CG 1 ATOM 717 C CD . LYS B 1 12 ? -5.998 5.344 20.076 1.00 32.26 ? 12 LYS B CD 1 ATOM 718 C CE . LYS B 1 12 ? -5.681 4.176 19.199 1.00 34.32 ? 12 LYS B CE 1 ATOM 719 N NZ . LYS B 1 12 ? -4.302 3.720 19.490 1.00 41.32 ? 12 LYS B NZ 1 ATOM 720 N N . HIS B 1 13 ? -9.483 5.309 17.035 1.00 18.98 ? 13 HIS B N 1 ATOM 721 C CA . HIS B 1 13 ? -9.234 5.098 15.626 1.00 19.41 ? 13 HIS B CA 1 ATOM 722 C C . HIS B 1 13 ? -10.247 5.882 14.818 1.00 19.75 ? 13 HIS B C 1 ATOM 723 O O . HIS B 1 13 ? -9.877 6.477 13.820 1.00 21.80 ? 13 HIS B O 1 ATOM 724 C CB . HIS B 1 13 ? -9.247 3.638 15.279 1.00 19.00 ? 13 HIS B CB 1 ATOM 725 C CG . HIS B 1 13 ? -8.011 2.948 15.738 1.00 21.35 ? 13 HIS B CG 1 ATOM 726 N ND1 . HIS B 1 13 ? -6.772 3.228 15.201 1.00 24.54 ? 13 HIS B ND1 1 ATOM 727 C CD2 . HIS B 1 13 ? -7.802 2.058 16.731 1.00 21.32 ? 13 HIS B CD2 1 ATOM 728 C CE1 . HIS B 1 13 ? -5.854 2.521 15.832 1.00 27.72 ? 13 HIS B CE1 1 ATOM 729 N NE2 . HIS B 1 13 ? -6.458 1.773 16.738 1.00 23.92 ? 13 HIS B NE2 1 ATOM 730 N N . ALA B 1 14 ? -11.519 5.906 15.253 1.00 17.44 ? 14 ALA B N 1 ATOM 731 C CA . ALA B 1 14 ? -12.549 6.596 14.486 1.00 16.77 ? 14 ALA B CA 1 ATOM 732 C C . ALA B 1 14 ? -12.210 8.087 14.519 1.00 17.10 ? 14 ALA B C 1 ATOM 733 O O . ALA B 1 14 ? -12.372 8.760 13.546 1.00 19.25 ? 14 ALA B O 1 ATOM 734 C CB . ALA B 1 14 ? -13.924 6.339 15.051 1.00 13.89 ? 14 ALA B CB 1 ATOM 735 N N . GLU B 1 15 ? -11.701 8.570 15.640 1.00 17.37 ? 15 GLU B N 1 ATOM 736 C CA . GLU B 1 15 ? -11.246 9.987 15.718 1.00 19.87 ? 15 GLU B CA 1 ATOM 737 C C . GLU B 1 15 ? -10.131 10.304 14.710 1.00 20.43 ? 15 GLU B C 1 ATOM 738 O O . GLU B 1 15 ? -10.096 11.400 14.082 1.00 21.00 ? 15 GLU B O 1 ATOM 739 C CB . GLU B 1 15 ? -10.793 10.325 17.122 1.00 18.76 ? 15 GLU B CB 1 ATOM 740 C CG . GLU B 1 15 ? -11.936 10.482 18.052 1.00 22.83 ? 15 GLU B CG 1 ATOM 741 C CD . GLU B 1 15 ? -11.475 10.770 19.487 1.00 32.27 ? 15 GLU B CD 1 ATOM 742 O OE1 . GLU B 1 15 ? -10.437 10.211 19.937 1.00 34.61 ? 15 GLU B OE1 1 ATOM 743 O OE2 . GLU B 1 15 ? -12.181 11.521 20.184 1.00 37.05 ? 15 GLU B OE2 1 ATOM 744 N N . GLU B 1 16 ? -9.186 9.376 14.585 1.00 20.78 ? 16 GLU B N 1 ATOM 745 C CA . GLU B 1 16 ? -8.117 9.548 13.600 1.00 22.15 ? 16 GLU B CA 1 ATOM 746 C C . GLU B 1 16 ? -8.676 9.478 12.224 1.00 22.37 ? 16 GLU B C 1 ATOM 747 O O . GLU B 1 16 ? -8.323 10.262 11.353 1.00 23.35 ? 16 GLU B O 1 ATOM 748 C CB . GLU B 1 16 ? -7.034 8.499 13.762 1.00 23.96 ? 16 GLU B CB 1 ATOM 749 C CG . GLU B 1 16 ? -6.223 8.732 14.969 1.00 29.65 ? 16 GLU B CG 1 ATOM 750 C CD . GLU B 1 16 ? -5.419 10.012 14.885 1.00 41.50 ? 16 GLU B CD 1 ATOM 751 O OE1 . GLU B 1 16 ? -4.436 10.061 14.110 1.00 49.30 ? 16 GLU B OE1 1 ATOM 752 O OE2 . GLU B 1 16 ? -5.751 10.986 15.586 1.00 44.50 ? 16 GLU B OE2 1 ATOM 753 N N . ALA B 1 17 ? -9.607 8.564 12.018 1.00 20.04 ? 17 ALA B N 1 ATOM 754 C CA . ALA B 1 17 ? -10.226 8.463 10.695 1.00 19.54 ? 17 ALA B CA 1 ATOM 755 C C . ALA B 1 17 ? -10.913 9.778 10.305 1.00 21.46 ? 17 ALA B C 1 ATOM 756 O O . ALA B 1 17 ? -10.787 10.214 9.170 1.00 23.09 ? 17 ALA B O 1 ATOM 757 C CB . ALA B 1 17 ? -11.214 7.273 10.663 1.00 19.20 ? 17 ALA B CB 1 ATOM 758 N N . VAL B 1 18 ? -11.616 10.411 11.229 1.00 19.67 ? 18 VAL B N 1 ATOM 759 C CA . VAL B 1 18 ? -12.313 11.658 10.952 1.00 21.81 ? 18 VAL B CA 1 ATOM 760 C C . VAL B 1 18 ? -11.318 12.745 10.695 1.00 24.77 ? 18 VAL B C 1 ATOM 761 O O . VAL B 1 18 ? -11.448 13.508 9.721 1.00 27.94 ? 18 VAL B O 1 ATOM 762 C CB . VAL B 1 18 ? -13.256 12.068 12.138 1.00 21.51 ? 18 VAL B CB 1 ATOM 763 C CG1 . VAL B 1 18 ? -13.731 13.560 12.053 1.00 22.15 ? 18 VAL B CG1 1 ATOM 764 C CG2 . VAL B 1 18 ? -14.438 11.083 12.210 1.00 19.31 ? 18 VAL B CG2 1 ATOM 765 N N . ALA B 1 19 ? -10.313 12.845 11.552 1.00 24.93 ? 19 ALA B N 1 ATOM 766 C CA . ALA B 1 19 ? -9.306 13.857 11.346 1.00 27.56 ? 19 ALA B CA 1 ATOM 767 C C . ALA B 1 19 ? -8.730 13.726 9.945 1.00 28.86 ? 19 ALA B C 1 ATOM 768 O O . ALA B 1 19 ? -8.595 14.698 9.277 1.00 30.87 ? 19 ALA B O 1 ATOM 769 C CB . ALA B 1 19 ? -8.195 13.753 12.399 1.00 28.19 ? 19 ALA B CB 1 ATOM 770 N N . HIS B 1 20 ? -8.399 12.509 9.514 1.00 27.34 ? 20 HIS B N 1 ATOM 771 C CA . HIS B 1 20 ? -7.844 12.281 8.182 1.00 29.92 ? 20 HIS B CA 1 ATOM 772 C C . HIS B 1 20 ? -8.878 12.570 7.111 1.00 30.33 ? 20 HIS B C 1 ATOM 773 O O . HIS B 1 20 ? -8.564 13.215 6.118 1.00 34.88 ? 20 HIS B O 1 ATOM 774 C CB . HIS B 1 20 ? -7.340 10.817 8.047 1.00 29.86 ? 20 HIS B CB 1 ATOM 775 C CG . HIS B 1 20 ? -6.003 10.592 8.674 1.00 31.84 ? 20 HIS B CG 1 ATOM 776 N ND1 . HIS B 1 20 ? -4.847 11.172 8.185 1.00 37.76 ? 20 HIS B ND1 1 ATOM 777 C CD2 . HIS B 1 20 ? -5.637 9.875 9.760 1.00 30.41 ? 20 HIS B CD2 1 ATOM 778 C CE1 . HIS B 1 20 ? -3.829 10.822 8.947 1.00 39.20 ? 20 HIS B CE1 1 ATOM 779 N NE2 . HIS B 1 20 ? -4.283 10.035 9.908 1.00 33.83 ? 20 HIS B NE2 1 ATOM 780 N N . GLY B 1 21 ? -10.109 12.125 7.288 1.00 28.17 ? 21 GLY B N 1 ATOM 781 C CA . GLY B 1 21 ? -11.162 12.424 6.289 1.00 31.07 ? 21 GLY B CA 1 ATOM 782 C C . GLY B 1 21 ? -11.450 13.911 6.033 1.00 34.63 ? 21 GLY B C 1 ATOM 783 O O . GLY B 1 21 ? -11.721 14.310 4.897 1.00 36.59 ? 21 GLY B O 1 ATOM 784 N N . LYS B 1 22 ? -11.370 14.725 7.089 1.00 35.32 ? 22 LYS B N 1 ATOM 785 C CA . LYS B 1 22 ? -11.564 16.186 7.023 1.00 39.15 ? 22 LYS B CA 1 ATOM 786 C C . LYS B 1 22 ? -10.479 16.801 6.139 1.00 42.28 ? 22 LYS B C 1 ATOM 787 O O . LYS B 1 22 ? -10.694 17.861 5.552 1.00 45.19 ? 22 LYS B O 1 ATOM 788 C CB . LYS B 1 22 ? -11.617 16.847 8.425 1.00 37.38 ? 22 LYS B CB 1 ATOM 789 C CG . LYS B 1 22 ? -12.789 16.316 9.309 1.00 36.92 ? 22 LYS B CG 1 ATOM 790 C CD . LYS B 1 22 ? -13.309 17.172 10.515 1.00 39.32 ? 22 LYS B CD 1 ATOM 791 C CE . LYS B 1 22 ? -12.327 17.424 11.712 1.00 47.71 ? 22 LYS B CE 1 ATOM 792 N NZ . LYS B 1 22 ? -12.307 16.498 12.955 1.00 46.22 ? 22 LYS B NZ 1 ATOM 793 N N . GLU B 1 23 ? -9.341 16.106 6.027 1.00 42.70 ? 23 GLU B N 1 ATOM 794 C CA . GLU B 1 23 ? -8.195 16.574 5.229 1.00 45.86 ? 23 GLU B CA 1 ATOM 795 C C . GLU B 1 23 ? -8.184 15.885 3.867 1.00 46.47 ? 23 GLU B C 1 ATOM 796 O O . GLU B 1 23 ? -7.314 16.122 3.047 1.00 49.71 ? 23 GLU B O 1 ATOM 797 C CB . GLU B 1 23 ? -6.866 16.309 5.950 1.00 46.66 ? 23 GLU B CB 1 ATOM 798 C CG . GLU B 1 23 ? -6.667 17.014 7.270 1.00 49.56 ? 23 GLU B CG 1 ATOM 799 C CD . GLU B 1 23 ? -6.389 18.493 7.102 1.00 60.79 ? 23 GLU B CD 1 ATOM 800 O OE1 . GLU B 1 23 ? -5.190 18.878 7.097 1.00 66.31 ? 23 GLU B OE1 1 ATOM 801 O OE2 . GLU B 1 23 ? -7.359 19.283 6.954 1.00 64.28 ? 23 GLU B OE2 1 ATOM 802 N N . GLY B 1 24 ? -9.162 15.029 3.625 1.00 43.94 ? 24 GLY B N 1 ATOM 803 C CA . GLY B 1 24 ? -9.284 14.386 2.345 1.00 44.46 ? 24 GLY B CA 1 ATOM 804 C C . GLY B 1 24 ? -8.376 13.184 2.202 1.00 44.80 ? 24 GLY B C 1 ATOM 805 O O . GLY B 1 24 ? -8.160 12.735 1.098 1.00 46.06 ? 24 GLY B O 1 ATOM 806 N N . HIS B 1 25 ? -7.847 12.641 3.307 1.00 41.62 ? 25 HIS B N 1 ATOM 807 C CA . HIS B 1 25 ? -6.960 11.478 3.204 1.00 42.21 ? 25 HIS B CA 1 ATOM 808 C C . HIS B 1 25 ? -7.789 10.207 3.259 1.00 40.07 ? 25 HIS B C 1 ATOM 809 O O . HIS B 1 25 ? -7.828 9.511 4.298 1.00 37.51 ? 25 HIS B O 1 ATOM 810 C CB . HIS B 1 25 ? -5.898 11.425 4.322 1.00 41.13 ? 25 HIS B CB 1 ATOM 811 C CG . HIS B 1 25 ? -5.099 12.680 4.465 1.00 46.37 ? 25 HIS B CG 1 ATOM 812 N ND1 . HIS B 1 25 ? -4.688 13.165 5.689 1.00 46.96 ? 25 HIS B ND1 1 ATOM 813 C CD2 . HIS B 1 25 ? -4.696 13.585 3.545 1.00 48.78 ? 25 HIS B CD2 1 ATOM 814 C CE1 . HIS B 1 25 ? -4.035 14.300 5.507 1.00 52.07 ? 25 HIS B CE1 1 ATOM 815 N NE2 . HIS B 1 25 ? -4.024 14.575 4.217 1.00 51.98 ? 25 HIS B NE2 1 ATOM 816 N N . THR B 1 26 ? -8.421 9.893 2.134 1.00 40.75 ? 26 THR B N 1 ATOM 817 C CA . THR B 1 26 ? -9.274 8.726 2.017 1.00 39.19 ? 26 THR B CA 1 ATOM 818 C C . THR B 1 26 ? -8.602 7.421 2.537 1.00 37.95 ? 26 THR B C 1 ATOM 819 O O . THR B 1 26 ? -9.217 6.685 3.346 1.00 34.39 ? 26 THR B O 1 ATOM 820 C CB . THR B 1 26 ? -9.780 8.588 0.574 1.00 42.22 ? 26 THR B CB 1 ATOM 821 O OG1 . THR B 1 26 ? -10.389 9.834 0.171 1.00 45.43 ? 26 THR B OG1 1 ATOM 822 C CG2 . THR B 1 26 ? -10.802 7.490 0.470 1.00 40.77 ? 26 THR B CG2 1 ATOM 823 N N . ASP B 1 27 ? -7.368 7.161 2.102 1.00 40.15 ? 27 ASP B N 1 ATOM 824 C CA . ASP B 1 27 ? -6.689 5.910 2.458 1.00 41.00 ? 27 ASP B CA 1 ATOM 825 C C . ASP B 1 27 ? -6.448 5.800 3.980 1.00 37.74 ? 27 ASP B C 1 ATOM 826 O O . ASP B 1 27 ? -6.621 4.705 4.560 1.00 36.15 ? 27 ASP B O 1 ATOM 827 C CB . ASP B 1 27 ? -5.389 5.712 1.652 1.00 44.84 ? 27 ASP B CB 1 ATOM 828 C CG . ASP B 1 27 ? -5.652 5.219 0.190 1.00 52.49 ? 27 ASP B CG 1 ATOM 829 O OD1 . ASP B 1 27 ? -6.794 4.789 -0.139 1.00 55.39 ? 27 ASP B OD1 1 ATOM 830 O OD2 . ASP B 1 27 ? -4.709 5.240 -0.645 1.00 57.94 ? 27 ASP B OD2 1 ATOM 831 N N . GLN B 1 28 ? -6.065 6.911 4.628 1.00 36.50 ? 28 GLN B N 1 ATOM 832 C CA . GLN B 1 28 ? -5.864 6.901 6.087 1.00 34.64 ? 28 GLN B CA 1 ATOM 833 C C . GLN B 1 28 ? -7.200 6.868 6.795 1.00 30.51 ? 28 GLN B C 1 ATOM 834 O O . GLN B 1 28 ? -7.349 6.238 7.847 1.00 29.36 ? 28 GLN B O 1 ATOM 835 C CB . GLN B 1 28 ? -5.061 8.119 6.576 1.00 36.23 ? 28 GLN B CB 1 ATOM 836 C CG . GLN B 1 28 ? -3.567 8.127 6.256 1.00 45.46 ? 28 GLN B CG 1 ATOM 837 C CD . GLN B 1 28 ? -2.867 6.891 6.754 1.00 52.26 ? 28 GLN B CD 1 ATOM 838 O OE1 . GLN B 1 28 ? -2.250 6.163 5.949 1.00 57.75 ? 28 GLN B OE1 1 ATOM 839 N NE2 . GLN B 1 28 ? -2.955 6.621 8.076 1.00 48.96 ? 28 GLN B NE2 1 ATOM 840 N N . LEU B 1 29 ? -8.198 7.551 6.256 1.00 28.45 ? 29 LEU B N 1 ATOM 841 C CA . LEU B 1 29 ? -9.510 7.374 6.818 1.00 25.96 ? 29 LEU B CA 1 ATOM 842 C C . LEU B 1 29 ? -9.898 5.871 6.814 1.00 24.13 ? 29 LEU B C 1 ATOM 843 O O . LEU B 1 29 ? -10.317 5.350 7.829 1.00 20.34 ? 29 LEU B O 1 ATOM 844 C CB . LEU B 1 29 ? -10.560 8.268 6.163 1.00 26.93 ? 29 LEU B CB 1 ATOM 845 C CG . LEU B 1 29 ? -11.986 7.841 6.553 1.00 27.47 ? 29 LEU B CG 1 ATOM 846 C CD1 . LEU B 1 29 ? -12.804 9.059 6.566 1.00 25.27 ? 29 LEU B CD1 1 ATOM 847 C CD2 . LEU B 1 29 ? -12.600 6.794 5.574 1.00 30.15 ? 29 LEU B CD2 1 ATOM 848 N N . LEU B 1 30 ? -9.726 5.195 5.682 1.00 25.84 ? 30 LEU B N 1 ATOM 849 C CA . LEU B 1 30 ? -10.055 3.788 5.553 1.00 25.14 ? 30 LEU B CA 1 ATOM 850 C C . LEU B 1 30 ? -9.234 2.905 6.498 1.00 24.46 ? 30 LEU B C 1 ATOM 851 O O . LEU B 1 30 ? -9.793 2.038 7.164 1.00 23.88 ? 30 LEU B O 1 ATOM 852 C CB . LEU B 1 30 ? -9.843 3.327 4.111 1.00 29.40 ? 30 LEU B CB 1 ATOM 853 C CG . LEU B 1 30 ? -10.932 3.744 3.117 1.00 30.44 ? 30 LEU B CG 1 ATOM 854 C CD1 . LEU B 1 30 ? -10.440 3.511 1.636 1.00 31.86 ? 30 LEU B CD1 1 ATOM 855 C CD2 . LEU B 1 30 ? -12.184 2.949 3.435 1.00 27.55 ? 30 LEU B CD2 1 ATOM 856 N N . GLU B 1 31 ? -7.931 3.114 6.570 1.00 24.77 ? 31 GLU B N 1 ATOM 857 C CA . GLU B 1 31 ? -7.093 2.291 7.482 1.00 26.76 ? 31 GLU B CA 1 ATOM 858 C C . GLU B 1 31 ? -7.586 2.404 8.922 1.00 23.84 ? 31 GLU B C 1 ATOM 859 O O . GLU B 1 31 ? -7.749 1.424 9.622 1.00 21.63 ? 31 GLU B O 1 ATOM 860 C CB . GLU B 1 31 ? -5.651 2.760 7.405 1.00 29.66 ? 31 GLU B CB 1 ATOM 861 C CG . GLU B 1 31 ? -4.658 1.668 7.807 1.00 38.70 ? 31 GLU B CG 1 ATOM 862 C CD . GLU B 1 31 ? -3.335 1.790 7.105 1.00 47.81 ? 31 GLU B CD 1 ATOM 863 O OE1 . GLU B 1 31 ? -2.995 2.948 6.704 1.00 54.46 ? 31 GLU B OE1 1 ATOM 864 O OE2 . GLU B 1 31 ? -2.642 0.746 6.957 1.00 49.19 ? 31 GLU B OE2 1 ATOM 865 N N . HIS B 1 32 ? -7.894 3.623 9.353 1.00 22.58 ? 32 HIS B N 1 ATOM 866 C CA . HIS B 1 32 ? -8.331 3.824 10.727 1.00 23.01 ? 32 HIS B CA 1 ATOM 867 C C . HIS B 1 32 ? -9.731 3.370 10.972 1.00 20.83 ? 32 HIS B C 1 ATOM 868 O O . HIS B 1 32 ? -10.020 2.816 12.008 1.00 20.64 ? 32 HIS B O 1 ATOM 869 C CB . HIS B 1 32 ? -8.163 5.308 11.093 1.00 24.28 ? 32 HIS B CB 1 ATOM 870 C CG . HIS B 1 32 ? -6.742 5.656 11.401 1.00 26.69 ? 32 HIS B CG 1 ATOM 871 N ND1 . HIS B 1 32 ? -6.094 5.195 12.529 1.00 29.52 ? 32 HIS B ND1 1 ATOM 872 C CD2 . HIS B 1 32 ? -5.831 6.373 10.709 1.00 30.41 ? 32 HIS B CD2 1 ATOM 873 C CE1 . HIS B 1 32 ? -4.842 5.622 12.521 1.00 32.18 ? 32 HIS B CE1 1 ATOM 874 N NE2 . HIS B 1 32 ? -4.665 6.354 11.433 1.00 32.20 ? 32 HIS B NE2 1 ATOM 875 N N . ALA B 1 33 ? -10.619 3.582 10.028 1.00 21.00 ? 33 ALA B N 1 ATOM 876 C CA . ALA B 1 33 ? -12.005 3.114 10.225 1.00 19.73 ? 33 ALA B CA 1 ATOM 877 C C . ALA B 1 33 ? -12.009 1.602 10.299 1.00 20.95 ? 33 ALA B C 1 ATOM 878 O O . ALA B 1 33 ? -12.825 1.043 11.014 1.00 19.77 ? 33 ALA B O 1 ATOM 879 C CB . ALA B 1 33 ? -12.909 3.570 9.087 1.00 19.90 ? 33 ALA B CB 1 ATOM 880 N N . LYS B 1 34 ? -11.149 0.946 9.502 1.00 19.52 ? 34 LYS B N 1 ATOM 881 C CA . LYS B 1 34 ? -11.071 -0.549 9.558 1.00 21.06 ? 34 LYS B CA 1 ATOM 882 C C . LYS B 1 34 ? -10.621 -1.028 10.954 1.00 20.59 ? 34 LYS B C 1 ATOM 883 O O . LYS B 1 34 ? -11.166 -1.981 11.511 1.00 20.73 ? 34 LYS B O 1 ATOM 884 C CB . LYS B 1 34 ? -10.134 -1.043 8.472 1.00 21.68 ? 34 LYS B CB 1 ATOM 885 C CG . LYS B 1 34 ? -10.844 -1.010 7.128 1.00 24.27 ? 34 LYS B CG 1 ATOM 886 C CD . LYS B 1 34 ? -9.950 -1.248 5.906 1.00 27.90 ? 34 LYS B CD 1 ATOM 887 C CE . LYS B 1 34 ? -10.743 -1.019 4.625 1.00 32.65 ? 34 LYS B CE 1 ATOM 888 N NZ . LYS B 1 34 ? -9.839 -1.286 3.423 1.00 37.70 ? 34 LYS B NZ 1 ATOM 889 N N . GLU B 1 35 ? -9.638 -0.333 11.516 1.00 20.15 ? 35 GLU B N 1 ATOM 890 C CA . GLU B 1 35 ? -9.140 -0.658 12.867 1.00 20.25 ? 35 GLU B CA 1 ATOM 891 C C . GLU B 1 35 ? -10.200 -0.390 13.892 1.00 18.82 ? 35 GLU B C 1 ATOM 892 O O . GLU B 1 35 ? -10.393 -1.197 14.815 1.00 17.56 ? 35 GLU B O 1 ATOM 893 C CB . GLU B 1 35 ? -7.892 0.156 13.216 1.00 20.10 ? 35 GLU B CB 1 ATOM 894 C CG A GLU B 1 35 ? -6.797 0.040 12.175 0.50 22.55 ? 35 GLU B CG 1 ATOM 895 C CG B GLU B 1 35 ? -6.580 -0.631 13.191 0.50 26.07 ? 35 GLU B CG 1 ATOM 896 C CD A GLU B 1 35 ? -5.532 0.731 12.623 0.50 23.87 ? 35 GLU B CD 1 ATOM 897 C CD B GLU B 1 35 ? -6.267 -1.219 14.536 0.50 29.91 ? 35 GLU B CD 1 ATOM 898 O OE1 A GLU B 1 35 ? -5.189 1.805 12.039 0.50 28.85 ? 35 GLU B OE1 1 ATOM 899 O OE1 B GLU B 1 35 ? -5.120 -1.673 14.801 0.50 25.56 ? 35 GLU B OE1 1 ATOM 900 O OE2 A GLU B 1 35 ? -4.925 0.226 13.585 0.50 15.54 ? 35 GLU B OE2 1 ATOM 901 O OE2 B GLU B 1 35 ? -7.203 -1.205 15.366 0.50 35.65 ? 35 GLU B OE2 1 ATOM 902 N N . SER B 1 36 ? -10.864 0.770 13.760 1.00 16.58 ? 36 SER B N 1 ATOM 903 C CA . SER B 1 36 ? -11.927 1.092 14.653 1.00 15.78 ? 36 SER B CA 1 ATOM 904 C C . SER B 1 36 ? -12.986 -0.003 14.638 1.00 16.57 ? 36 SER B C 1 ATOM 905 O O . SER B 1 36 ? -13.476 -0.389 15.668 1.00 15.99 ? 36 SER B O 1 ATOM 906 C CB . SER B 1 36 ? -12.597 2.390 14.214 1.00 16.28 ? 36 SER B CB 1 ATOM 907 O OG . SER B 1 36 ? -13.582 2.705 15.155 1.00 17.05 ? 36 SER B OG 1 ATOM 908 N N . LEU B 1 37 ? -13.356 -0.449 13.441 1.00 15.02 ? 37 LEU B N 1 ATOM 909 C CA . LEU B 1 37 ? -14.414 -1.427 13.276 1.00 17.08 ? 37 LEU B CA 1 ATOM 910 C C . LEU B 1 37 ? -14.041 -2.758 13.962 1.00 17.29 ? 37 LEU B C 1 ATOM 911 O O . LEU B 1 37 ? -14.904 -3.456 14.563 1.00 18.09 ? 37 LEU B O 1 ATOM 912 C CB . LEU B 1 37 ? -14.617 -1.640 11.761 1.00 17.14 ? 37 LEU B CB 1 ATOM 913 C CG . LEU B 1 37 ? -15.634 -2.749 11.338 1.00 20.88 ? 37 LEU B CG 1 ATOM 914 C CD1 . LEU B 1 37 ? -16.993 -2.443 12.000 1.00 21.44 ? 37 LEU B CD1 1 ATOM 915 C CD2 . LEU B 1 37 ? -15.803 -2.892 9.818 1.00 23.66 ? 37 LEU B CD2 1 ATOM 916 N N . THR B 1 38 ? -12.776 -3.145 13.812 1.00 17.18 ? 38 THR B N 1 ATOM 917 C CA . THR B 1 38 ? -12.280 -4.386 14.480 1.00 17.45 ? 38 THR B CA 1 ATOM 918 C C . THR B 1 38 ? -12.552 -4.334 15.985 1.00 16.95 ? 38 THR B C 1 ATOM 919 O O . THR B 1 38 ? -13.070 -5.301 16.579 1.00 15.18 ? 38 THR B O 1 ATOM 920 C CB . THR B 1 38 ? -10.803 -4.572 14.206 1.00 18.37 ? 38 THR B CB 1 ATOM 921 O OG1 . THR B 1 38 ? -10.622 -4.688 12.766 1.00 18.52 ? 38 THR B OG1 1 ATOM 922 C CG2 . THR B 1 38 ? -10.300 -5.868 14.863 1.00 17.89 ? 38 THR B CG2 1 ATOM 923 N N . HIS B 1 39 ? -12.164 -3.205 16.590 1.00 15.30 ? 39 HIS B N 1 ATOM 924 C CA . HIS B 1 39 ? -12.371 -2.969 18.002 1.00 15.43 ? 39 HIS B CA 1 ATOM 925 C C . HIS B 1 39 ? -13.852 -2.850 18.338 1.00 16.45 ? 39 HIS B C 1 ATOM 926 O O . HIS B 1 39 ? -14.297 -3.368 19.394 1.00 16.92 ? 39 HIS B O 1 ATOM 927 C CB . HIS B 1 39 ? -11.600 -1.682 18.388 1.00 13.31 ? 39 HIS B CB 1 ATOM 928 C CG . HIS B 1 39 ? -10.155 -1.948 18.618 1.00 15.32 ? 39 HIS B CG 1 ATOM 929 N ND1 . HIS B 1 39 ? -9.721 -2.770 19.632 1.00 15.23 ? 39 HIS B ND1 1 ATOM 930 C CD2 . HIS B 1 39 ? -9.046 -1.599 17.922 1.00 17.60 ? 39 HIS B CD2 1 ATOM 931 C CE1 . HIS B 1 39 ? -8.401 -2.861 19.600 1.00 17.69 ? 39 HIS B CE1 1 ATOM 932 N NE2 . HIS B 1 39 ? -7.969 -2.142 18.581 1.00 17.82 ? 39 HIS B NE2 1 ATOM 933 N N . ALA B 1 40 ? -14.606 -2.135 17.505 1.00 16.87 ? 40 ALA B N 1 ATOM 934 C CA . ALA B 1 40 ? -16.080 -2.027 17.761 1.00 17.49 ? 40 ALA B CA 1 ATOM 935 C C . ALA B 1 40 ? -16.691 -3.456 17.799 1.00 19.82 ? 40 ALA B C 1 ATOM 936 O O . ALA B 1 40 ? -17.522 -3.793 18.671 1.00 19.96 ? 40 ALA B O 1 ATOM 937 C CB . ALA B 1 40 ? -16.775 -1.144 16.713 1.00 17.09 ? 40 ALA B CB 1 ATOM 938 N N . LYS B 1 41 ? -16.333 -4.275 16.826 1.00 17.94 ? 41 LYS B N 1 ATOM 939 C CA . LYS B 1 41 ? -16.899 -5.587 16.786 1.00 21.03 ? 41 LYS B CA 1 ATOM 940 C C . LYS B 1 41 ? -16.423 -6.402 17.983 1.00 21.75 ? 41 LYS B C 1 ATOM 941 O O . LYS B 1 41 ? -17.150 -7.264 18.467 1.00 22.27 ? 41 LYS B O 1 ATOM 942 C CB . LYS B 1 41 ? -16.520 -6.291 15.503 1.00 21.82 ? 41 LYS B CB 1 ATOM 943 C CG . LYS B 1 41 ? -17.192 -5.730 14.263 1.00 24.63 ? 41 LYS B CG 1 ATOM 944 C CD . LYS B 1 41 ? -16.593 -6.461 13.056 1.00 33.77 ? 41 LYS B CD 1 ATOM 945 C CE . LYS B 1 41 ? -17.169 -6.021 11.743 1.00 38.50 ? 41 LYS B CE 1 ATOM 946 N NZ . LYS B 1 41 ? -18.564 -6.437 11.566 1.00 47.61 ? 41 LYS B NZ 1 ATOM 947 N N . ALA B 1 42 ? -15.214 -6.133 18.464 1.00 19.76 ? 42 ALA B N 1 ATOM 948 C CA . ALA B 1 42 ? -14.679 -6.941 19.567 1.00 21.29 ? 42 ALA B CA 1 ATOM 949 C C . ALA B 1 42 ? -15.350 -6.528 20.873 1.00 22.94 ? 42 ALA B C 1 ATOM 950 O O . ALA B 1 42 ? -15.330 -7.301 21.839 1.00 25.06 ? 42 ALA B O 1 ATOM 951 C CB . ALA B 1 42 ? -13.145 -6.849 19.646 1.00 18.56 ? 42 ALA B CB 1 ATOM 952 N N . ALA B 1 43 ? -15.964 -5.349 20.897 1.00 23.64 ? 43 ALA B N 1 ATOM 953 C CA . ALA B 1 43 ? -16.750 -4.900 22.052 1.00 28.15 ? 43 ALA B CA 1 ATOM 954 C C . ALA B 1 43 ? -18.165 -5.423 22.127 1.00 33.14 ? 43 ALA B C 1 ATOM 955 O O . ALA B 1 43 ? -18.791 -5.295 23.186 1.00 37.84 ? 43 ALA B O 1 ATOM 956 C CB . ALA B 1 43 ? -16.807 -3.372 22.100 1.00 26.02 ? 43 ALA B CB 1 ATOM 957 N N . SER B 1 44 ? -18.740 -5.902 21.033 1.00 35.41 ? 44 SER B N 1 ATOM 958 C CA . SER B 1 44 ? -20.212 -6.051 21.030 1.00 40.91 ? 44 SER B CA 1 ATOM 959 C C . SER B 1 44 ? -20.711 -7.177 21.911 1.00 43.54 ? 44 SER B C 1 ATOM 960 O O . SER B 1 44 ? -20.475 -8.323 21.570 1.00 46.75 ? 44 SER B O 1 ATOM 961 C CB . SER B 1 44 ? -20.773 -6.233 19.626 1.00 42.12 ? 44 SER B CB 1 ATOM 962 O OG . SER B 1 44 ? -19.973 -5.517 18.740 1.00 42.82 ? 44 SER B OG 1 ATOM 963 N N . THR B 1 50 ? -28.351 -1.188 20.762 1.00 43.65 ? 50 THR B N 1 ATOM 964 C CA . THR B 1 50 ? -27.057 -0.932 21.361 1.00 38.63 ? 50 THR B CA 1 ATOM 965 C C . THR B 1 50 ? -26.276 0.058 20.502 1.00 34.12 ? 50 THR B C 1 ATOM 966 O O . THR B 1 50 ? -26.232 -0.012 19.249 1.00 31.37 ? 50 THR B O 1 ATOM 967 C CB . THR B 1 50 ? -26.249 -2.197 21.701 1.00 40.22 ? 50 THR B CB 1 ATOM 968 O OG1 . THR B 1 50 ? -25.775 -2.124 23.051 1.00 46.26 ? 50 THR B OG1 1 ATOM 969 C CG2 . THR B 1 50 ? -25.027 -2.388 20.821 1.00 36.04 ? 50 THR B CG2 1 ATOM 970 N N . HIS B 1 51 ? -25.724 1.032 21.208 1.00 30.25 ? 51 HIS B N 1 ATOM 971 C CA . HIS B 1 51 ? -24.860 2.022 20.596 1.00 27.45 ? 51 HIS B CA 1 ATOM 972 C C . HIS B 1 51 ? -23.651 1.420 19.933 1.00 25.71 ? 51 HIS B C 1 ATOM 973 O O . HIS B 1 51 ? -23.210 1.893 18.902 1.00 23.81 ? 51 HIS B O 1 ATOM 974 C CB . HIS B 1 51 ? -24.458 3.042 21.660 1.00 26.36 ? 51 HIS B CB 1 ATOM 975 C CG . HIS B 1 51 ? -25.525 4.068 21.909 1.00 28.69 ? 51 HIS B CG 1 ATOM 976 N ND1 . HIS B 1 51 ? -25.957 4.931 20.924 1.00 29.13 ? 51 HIS B ND1 1 ATOM 977 C CD2 . HIS B 1 51 ? -26.236 4.379 23.020 1.00 33.56 ? 51 HIS B CD2 1 ATOM 978 C CE1 . HIS B 1 51 ? -26.895 5.726 21.411 1.00 34.60 ? 51 HIS B CE1 1 ATOM 979 N NE2 . HIS B 1 51 ? -27.087 5.408 22.679 1.00 34.48 ? 51 HIS B NE2 1 ATOM 980 N N . VAL B 1 52 ? -23.094 0.355 20.499 1.00 26.54 ? 52 VAL B N 1 ATOM 981 C CA . VAL B 1 52 ? -21.985 -0.308 19.778 1.00 26.03 ? 52 VAL B CA 1 ATOM 982 C C . VAL B 1 52 ? -22.418 -0.800 18.385 1.00 25.95 ? 52 VAL B C 1 ATOM 983 O O . VAL B 1 52 ? -21.712 -0.551 17.388 1.00 24.31 ? 52 VAL B O 1 ATOM 984 C CB . VAL B 1 52 ? -21.394 -1.463 20.611 1.00 27.21 ? 52 VAL B CB 1 ATOM 985 C CG1 . VAL B 1 52 ? -20.302 -2.221 19.812 1.00 27.37 ? 52 VAL B CG1 1 ATOM 986 C CG2 . VAL B 1 52 ? -20.798 -0.855 21.908 1.00 28.84 ? 52 VAL B CG2 1 ATOM 987 N N . GLY B 1 53 ? -23.576 -1.473 18.317 1.00 27.89 ? 53 GLY B N 1 ATOM 988 C CA . GLY B 1 53 ? -24.141 -1.927 17.036 1.00 27.97 ? 53 GLY B CA 1 ATOM 989 C C . GLY B 1 53 ? -24.287 -0.789 16.017 1.00 26.97 ? 53 GLY B C 1 ATOM 990 O O . GLY B 1 53 ? -23.918 -0.893 14.850 1.00 24.93 ? 53 GLY B O 1 ATOM 991 N N . HIS B 1 54 ? -24.851 0.319 16.460 1.00 26.50 ? 54 HIS B N 1 ATOM 992 C CA . HIS B 1 54 ? -24.945 1.492 15.591 1.00 27.88 ? 54 HIS B CA 1 ATOM 993 C C . HIS B 1 54 ? -23.588 2.045 15.108 1.00 25.45 ? 54 HIS B C 1 ATOM 994 O O . HIS B 1 54 ? -23.420 2.464 13.933 1.00 24.69 ? 54 HIS B O 1 ATOM 995 C CB . HIS B 1 54 ? -25.736 2.578 16.319 1.00 29.99 ? 54 HIS B CB 1 ATOM 996 C CG . HIS B 1 54 ? -27.183 2.230 16.507 1.00 37.04 ? 54 HIS B CG 1 ATOM 997 N ND1 . HIS B 1 54 ? -27.809 2.264 17.740 1.00 44.70 ? 54 HIS B ND1 1 ATOM 998 C CD2 . HIS B 1 54 ? -28.123 1.818 15.625 1.00 42.66 ? 54 HIS B CD2 1 ATOM 999 C CE1 . HIS B 1 54 ? -29.068 1.886 17.608 1.00 44.28 ? 54 HIS B CE1 1 ATOM 1000 N NE2 . HIS B 1 54 ? -29.291 1.624 16.333 1.00 46.04 ? 54 HIS B NE2 1 ATOM 1001 N N . GLY B 1 55 ? -22.611 2.079 16.013 1.00 23.88 ? 55 GLY B N 1 ATOM 1002 C CA . GLY B 1 55 ? -21.293 2.567 15.646 1.00 21.87 ? 55 GLY B CA 1 ATOM 1003 C C . GLY B 1 55 ? -20.716 1.605 14.638 1.00 22.28 ? 55 GLY B C 1 ATOM 1004 O O . GLY B 1 55 ? -20.133 2.034 13.669 1.00 20.65 ? 55 GLY B O 1 ATOM 1005 N N . ILE B 1 56 ? -20.897 0.291 14.861 1.00 21.43 ? 56 ILE B N 1 ATOM 1006 C CA . ILE B 1 56 ? -20.411 -0.699 13.850 1.00 22.49 ? 56 ILE B CA 1 ATOM 1007 C C . ILE B 1 56 ? -21.007 -0.400 12.468 1.00 24.40 ? 56 ILE B C 1 ATOM 1008 O O . ILE B 1 56 ? -20.269 -0.266 11.435 1.00 25.09 ? 56 ILE B O 1 ATOM 1009 C CB . ILE B 1 56 ? -20.741 -2.113 14.288 1.00 24.10 ? 56 ILE B CB 1 ATOM 1010 C CG1 . ILE B 1 56 ? -19.854 -2.516 15.481 1.00 21.29 ? 56 ILE B CG1 1 ATOM 1011 C CG2 . ILE B 1 56 ? -20.585 -3.088 13.158 1.00 25.92 ? 56 ILE B CG2 1 ATOM 1012 C CD1 . ILE B 1 56 ? -20.348 -3.752 16.196 1.00 28.47 ? 56 ILE B CD1 1 ATOM 1013 N N . LYS B 1 57 ? -22.328 -0.262 12.447 1.00 25.30 ? 57 LYS B N 1 ATOM 1014 C CA . LYS B 1 57 ? -23.064 0.001 11.208 1.00 29.32 ? 57 LYS B CA 1 ATOM 1015 C C . LYS B 1 57 ? -22.537 1.286 10.541 1.00 26.23 ? 57 LYS B C 1 ATOM 1016 O O . LYS B 1 57 ? -22.352 1.325 9.349 1.00 26.66 ? 57 LYS B O 1 ATOM 1017 C CB . LYS B 1 57 ? -24.584 0.081 11.454 1.00 31.73 ? 57 LYS B CB 1 ATOM 1018 C CG . LYS B 1 57 ? -25.351 -1.269 11.366 1.00 44.65 ? 57 LYS B CG 1 ATOM 1019 C CD . LYS B 1 57 ? -25.341 -2.135 12.676 1.00 50.94 ? 57 LYS B CD 1 ATOM 1020 C CE . LYS B 1 57 ? -24.379 -3.353 12.660 1.00 51.38 ? 57 LYS B CE 1 ATOM 1021 N NZ . LYS B 1 57 ? -23.984 -3.632 14.094 1.00 45.38 ? 57 LYS B NZ 1 ATOM 1022 N N . HIS B 1 58 ? -22.280 2.330 11.313 1.00 25.49 ? 58 HIS B N 1 ATOM 1023 C CA . HIS B 1 58 ? -21.759 3.575 10.710 1.00 23.32 ? 58 HIS B CA 1 ATOM 1024 C C . HIS B 1 58 ? -20.322 3.418 10.247 1.00 22.27 ? 58 HIS B C 1 ATOM 1025 O O . HIS B 1 58 ? -19.967 4.025 9.283 1.00 24.52 ? 58 HIS B O 1 ATOM 1026 C CB . HIS B 1 58 ? -21.820 4.743 11.661 1.00 22.80 ? 58 HIS B CB 1 ATOM 1027 C CG . HIS B 1 58 ? -23.176 5.368 11.776 1.00 24.53 ? 58 HIS B CG 1 ATOM 1028 N ND1 . HIS B 1 58 ? -23.698 6.180 10.795 1.00 27.66 ? 58 HIS B ND1 1 ATOM 1029 C CD2 . HIS B 1 58 ? -24.108 5.316 12.756 1.00 27.30 ? 58 HIS B CD2 1 ATOM 1030 C CE1 . HIS B 1 58 ? -24.883 6.637 11.173 1.00 29.25 ? 58 HIS B CE1 1 ATOM 1031 N NE2 . HIS B 1 58 ? -25.160 6.115 12.355 1.00 28.42 ? 58 HIS B NE2 1 ATOM 1032 N N . LEU B 1 59 ? -19.484 2.666 10.965 1.00 20.88 ? 59 LEU B N 1 ATOM 1033 C CA . LEU B 1 59 ? -18.107 2.395 10.473 1.00 19.72 ? 59 LEU B CA 1 ATOM 1034 C C . LEU B 1 59 ? -18.133 1.619 9.160 1.00 22.72 ? 59 LEU B C 1 ATOM 1035 O O . LEU B 1 59 ? -17.415 1.942 8.210 1.00 23.12 ? 59 LEU B O 1 ATOM 1036 C CB . LEU B 1 59 ? -17.306 1.637 11.522 1.00 19.11 ? 59 LEU B CB 1 ATOM 1037 C CG . LEU B 1 59 ? -16.990 2.540 12.716 1.00 19.08 ? 59 LEU B CG 1 ATOM 1038 C CD1 . LEU B 1 59 ? -16.569 1.659 13.922 1.00 22.31 ? 59 LEU B CD1 1 ATOM 1039 C CD2 . LEU B 1 59 ? -15.910 3.595 12.326 1.00 15.73 ? 59 LEU B CD2 1 ATOM 1040 N N . GLU B 1 60 ? -18.971 0.602 9.090 1.00 22.81 ? 60 GLU B N 1 ATOM 1041 C CA . GLU B 1 60 ? -19.110 -0.144 7.843 1.00 26.15 ? 60 GLU B CA 1 ATOM 1042 C C . GLU B 1 60 ? -19.525 0.776 6.714 1.00 27.83 ? 60 GLU B C 1 ATOM 1043 O O . GLU B 1 60 ? -19.100 0.614 5.564 1.00 29.98 ? 60 GLU B O 1 ATOM 1044 C CB . GLU B 1 60 ? -20.158 -1.249 8.015 1.00 26.97 ? 60 GLU B CB 1 ATOM 1045 C CG . GLU B 1 60 ? -19.717 -2.271 9.083 1.00 29.48 ? 60 GLU B CG 1 ATOM 1046 C CD . GLU B 1 60 ? -20.735 -3.392 9.322 1.00 32.81 ? 60 GLU B CD 1 ATOM 1047 O OE1 . GLU B 1 60 ? -20.300 -4.533 9.566 1.00 41.94 ? 60 GLU B OE1 1 ATOM 1048 O OE2 . GLU B 1 60 ? -21.966 -3.144 9.256 1.00 42.48 ? 60 GLU B OE2 1 ATOM 1049 N N . ASP B 1 61 ? -20.398 1.733 7.015 1.00 27.69 ? 61 ASP B N 1 ATOM 1050 C CA . ASP B 1 61 ? -20.800 2.720 6.017 1.00 30.13 ? 61 ASP B CA 1 ATOM 1051 C C . ASP B 1 61 ? -19.686 3.694 5.638 1.00 28.48 ? 61 ASP B C 1 ATOM 1052 O O . ASP B 1 61 ? -19.512 4.023 4.455 1.00 32.71 ? 61 ASP B O 1 ATOM 1053 C CB . ASP B 1 61 ? -22.024 3.505 6.489 1.00 30.68 ? 61 ASP B CB 1 ATOM 1054 C CG . ASP B 1 61 ? -23.327 2.742 6.303 1.00 36.35 ? 61 ASP B CG 1 ATOM 1055 O OD1 . ASP B 1 61 ? -23.409 1.730 5.524 1.00 43.94 ? 61 ASP B OD1 1 ATOM 1056 O OD2 . ASP B 1 61 ? -24.308 3.189 6.938 1.00 40.73 ? 61 ASP B OD2 1 ATOM 1057 N N . ALA B 1 62 ? -18.935 4.175 6.605 1.00 27.05 ? 62 ALA B N 1 ATOM 1058 C CA . ALA B 1 62 ? -17.761 5.001 6.311 1.00 26.12 ? 62 ALA B CA 1 ATOM 1059 C C . ALA B 1 62 ? -16.755 4.244 5.384 1.00 27.90 ? 62 ALA B C 1 ATOM 1060 O O . ALA B 1 62 ? -16.208 4.829 4.429 1.00 28.46 ? 62 ALA B O 1 ATOM 1061 C CB . ALA B 1 62 ? -17.091 5.473 7.615 1.00 24.17 ? 62 ALA B CB 1 ATOM 1062 N N . ILE B 1 63 ? -16.532 2.953 5.660 1.00 26.87 ? 63 ILE B N 1 ATOM 1063 C CA . ILE B 1 63 ? -15.646 2.152 4.835 1.00 29.09 ? 63 ILE B CA 1 ATOM 1064 C C . ILE B 1 63 ? -16.221 2.007 3.421 1.00 33.47 ? 63 ILE B C 1 ATOM 1065 O O . ILE B 1 63 ? -15.525 2.284 2.449 1.00 36.10 ? 63 ILE B O 1 ATOM 1066 C CB . ILE B 1 63 ? -15.321 0.787 5.488 1.00 27.49 ? 63 ILE B CB 1 ATOM 1067 C CG1 . ILE B 1 63 ? -14.409 1.047 6.687 1.00 26.73 ? 63 ILE B CG1 1 ATOM 1068 C CG2 . ILE B 1 63 ? -14.584 -0.166 4.519 1.00 29.96 ? 63 ILE B CG2 1 ATOM 1069 C CD1 . ILE B 1 63 ? -14.509 -0.038 7.763 1.00 23.68 ? 63 ILE B CD1 1 ATOM 1070 N N . LYS B 1 64 ? -17.498 1.619 3.325 1.00 35.60 ? 64 LYS B N 1 ATOM 1071 C CA . LYS B 1 64 ? -18.168 1.454 2.043 1.00 39.66 ? 64 LYS B CA 1 ATOM 1072 C C . LYS B 1 64 ? -17.999 2.723 1.206 1.00 41.21 ? 64 LYS B C 1 ATOM 1073 O O . LYS B 1 64 ? -17.563 2.663 0.039 1.00 43.24 ? 64 LYS B O 1 ATOM 1074 C CB . LYS B 1 64 ? -19.656 1.090 2.248 1.00 40.59 ? 64 LYS B CB 1 ATOM 1075 C CG . LYS B 1 64 ? -20.553 0.938 0.973 1.00 45.04 ? 64 LYS B CG 1 ATOM 1076 C CD . LYS B 1 64 ? -22.025 1.303 1.403 1.00 47.14 ? 64 LYS B CD 1 ATOM 1077 C CE . LYS B 1 64 ? -23.067 1.558 0.278 1.00 53.26 ? 64 LYS B CE 1 ATOM 1078 N NZ . LYS B 1 64 ? -23.600 0.320 -0.468 1.00 57.08 ? 64 LYS B NZ 1 ATOM 1079 N N . HIS B 1 65 ? -18.315 3.868 1.807 1.00 39.13 ? 65 HIS B N 1 ATOM 1080 C CA . HIS B 1 65 ? -18.209 5.143 1.109 1.00 40.58 ? 65 HIS B CA 1 ATOM 1081 C C . HIS B 1 65 ? -16.768 5.525 0.770 1.00 39.64 ? 65 HIS B C 1 ATOM 1082 O O . HIS B 1 65 ? -16.480 5.899 -0.350 1.00 40.85 ? 65 HIS B O 1 ATOM 1083 C CB . HIS B 1 65 ? -18.936 6.220 1.913 1.00 39.97 ? 65 HIS B CB 1 ATOM 1084 C CG . HIS B 1 65 ? -20.427 6.114 1.803 1.00 43.95 ? 65 HIS B CG 1 ATOM 1085 N ND1 . HIS B 1 65 ? -21.112 6.545 0.688 1.00 47.64 ? 65 HIS B ND1 1 ATOM 1086 C CD2 . HIS B 1 65 ? -21.358 5.585 2.634 1.00 44.07 ? 65 HIS B CD2 1 ATOM 1087 C CE1 . HIS B 1 65 ? -22.401 6.296 0.840 1.00 51.14 ? 65 HIS B CE1 1 ATOM 1088 N NE2 . HIS B 1 65 ? -22.578 5.715 2.012 1.00 48.99 ? 65 HIS B NE2 1 ATOM 1089 N N . GLY B 1 66 ? -15.868 5.391 1.741 1.00 36.58 ? 66 GLY B N 1 ATOM 1090 C CA . GLY B 1 66 ? -14.435 5.646 1.542 1.00 37.05 ? 66 GLY B CA 1 ATOM 1091 C C . GLY B 1 66 ? -13.866 4.806 0.411 1.00 39.83 ? 66 GLY B C 1 ATOM 1092 O O . GLY B 1 66 ? -13.101 5.311 -0.447 1.00 42.36 ? 66 GLY B O 1 ATOM 1093 N N . GLU B 1 67 ? -14.288 3.544 0.341 1.00 40.84 ? 67 GLU B N 1 ATOM 1094 C CA . GLU B 1 67 ? -13.779 2.651 -0.722 1.00 45.34 ? 67 GLU B CA 1 ATOM 1095 C C . GLU B 1 67 ? -14.148 3.188 -2.092 1.00 49.90 ? 67 GLU B C 1 ATOM 1096 O O . GLU B 1 67 ? -13.404 3.003 -3.057 1.00 52.43 ? 67 GLU B O 1 ATOM 1097 C CB . GLU B 1 67 ? -14.270 1.211 -0.569 1.00 45.72 ? 67 GLU B CB 1 ATOM 1098 C CG . GLU B 1 67 ? -13.774 0.490 0.730 1.00 47.73 ? 67 GLU B CG 1 ATOM 1099 C CD . GLU B 1 67 ? -12.352 -0.125 0.663 1.00 54.04 ? 67 GLU B CD 1 ATOM 1100 O OE1 . GLU B 1 67 ? -12.030 -1.011 1.506 1.00 52.59 ? 67 GLU B OE1 1 ATOM 1101 O OE2 . GLU B 1 67 ? -11.558 0.279 -0.224 1.00 58.66 ? 67 GLU B OE2 1 ATOM 1102 N N . GLU B 1 68 ? -15.297 3.858 -2.169 1.00 51.19 ? 68 GLU B N 1 ATOM 1103 C CA . GLU B 1 68 ? -15.798 4.399 -3.428 1.00 56.53 ? 68 GLU B CA 1 ATOM 1104 C C . GLU B 1 68 ? -15.268 5.800 -3.684 1.00 56.85 ? 68 GLU B C 1 ATOM 1105 O O . GLU B 1 68 ? -15.456 6.350 -4.759 1.00 59.52 ? 68 GLU B O 1 ATOM 1106 C CB . GLU B 1 68 ? -17.330 4.402 -3.474 1.00 58.08 ? 68 GLU B CB 1 ATOM 1107 C CG . GLU B 1 68 ? -17.952 3.040 -3.242 1.00 62.01 ? 68 GLU B CG 1 ATOM 1108 C CD . GLU B 1 68 ? -19.428 3.110 -2.883 1.00 67.31 ? 68 GLU B CD 1 ATOM 1109 O OE1 . GLU B 1 68 ? -20.154 2.171 -3.284 1.00 71.32 ? 68 GLU B OE1 1 ATOM 1110 O OE2 . GLU B 1 68 ? -19.869 4.089 -2.206 1.00 65.67 ? 68 GLU B OE2 1 ATOM 1111 N N . GLY B 1 69 ? -14.598 6.365 -2.688 1.00 53.54 ? 69 GLY B N 1 ATOM 1112 C CA . GLY B 1 69 ? -13.962 7.668 -2.825 1.00 53.63 ? 69 GLY B CA 1 ATOM 1113 C C . GLY B 1 69 ? -14.810 8.821 -2.340 1.00 52.37 ? 69 GLY B C 1 ATOM 1114 O O . GLY B 1 69 ? -14.465 9.978 -2.598 1.00 53.92 ? 69 GLY B O 1 ATOM 1115 N N . HIS B 1 70 ? -15.927 8.527 -1.668 1.00 49.22 ? 70 HIS B N 1 ATOM 1116 C CA . HIS B 1 70 ? -16.766 9.587 -1.122 1.00 47.88 ? 70 HIS B CA 1 ATOM 1117 C C . HIS B 1 70 ? -16.266 9.904 0.296 1.00 43.78 ? 70 HIS B C 1 ATOM 1118 O O . HIS B 1 70 ? -16.914 9.572 1.306 1.00 40.59 ? 70 HIS B O 1 ATOM 1119 C CB . HIS B 1 70 ? -18.223 9.154 -1.087 1.00 48.33 ? 70 HIS B CB 1 ATOM 1120 C CG . HIS B 1 70 ? -18.703 8.493 -2.344 1.00 55.49 ? 70 HIS B CG 1 ATOM 1121 N ND1 . HIS B 1 70 ? -19.440 7.324 -2.336 1.00 56.87 ? 70 HIS B ND1 1 ATOM 1122 C CD2 . HIS B 1 70 ? -18.580 8.851 -3.646 1.00 60.22 ? 70 HIS B CD2 1 ATOM 1123 C CE1 . HIS B 1 70 ? -19.745 6.991 -3.578 1.00 61.82 ? 70 HIS B CE1 1 ATOM 1124 N NE2 . HIS B 1 70 ? -19.229 7.896 -4.392 1.00 64.18 ? 70 HIS B NE2 1 ATOM 1125 N N . VAL B 1 71 ? -15.106 10.550 0.373 1.00 43.00 ? 71 VAL B N 1 ATOM 1126 C CA . VAL B 1 71 ? -14.480 10.800 1.672 1.00 39.93 ? 71 VAL B CA 1 ATOM 1127 C C . VAL B 1 71 ? -15.327 11.694 2.608 1.00 37.76 ? 71 VAL B C 1 ATOM 1128 O O . VAL B 1 71 ? -15.305 11.521 3.827 1.00 35.10 ? 71 VAL B O 1 ATOM 1129 C CB . VAL B 1 71 ? -12.989 11.243 1.491 1.00 41.44 ? 71 VAL B CB 1 ATOM 1130 C CG1 . VAL B 1 71 ? -12.875 12.568 0.704 1.00 43.82 ? 71 VAL B CG1 1 ATOM 1131 C CG2 . VAL B 1 71 ? -12.267 11.279 2.808 1.00 39.27 ? 71 VAL B CG2 1 ATOM 1132 N N . GLY B 1 72 ? -16.118 12.614 2.031 1.00 40.07 ? 72 GLY B N 1 ATOM 1133 C CA . GLY B 1 72 ? -16.975 13.507 2.807 1.00 38.79 ? 72 GLY B CA 1 ATOM 1134 C C . GLY B 1 72 ? -18.085 12.731 3.496 1.00 37.84 ? 72 GLY B C 1 ATOM 1135 O O . GLY B 1 72 ? -18.315 12.876 4.703 1.00 36.77 ? 72 GLY B O 1 ATOM 1136 N N . VAL B 1 73 ? -18.779 11.874 2.751 1.00 39.60 ? 73 VAL B N 1 ATOM 1137 C CA . VAL B 1 73 ? -19.821 11.058 3.385 1.00 38.57 ? 73 VAL B CA 1 ATOM 1138 C C . VAL B 1 73 ? -19.206 10.045 4.363 1.00 34.17 ? 73 VAL B C 1 ATOM 1139 O O . VAL B 1 73 ? -19.796 9.768 5.382 1.00 32.39 ? 73 VAL B O 1 ATOM 1140 C CB . VAL B 1 73 ? -20.735 10.340 2.370 1.00 40.98 ? 73 VAL B CB 1 ATOM 1141 C CG1 . VAL B 1 73 ? -19.946 9.458 1.546 1.00 46.04 ? 73 VAL B CG1 1 ATOM 1142 C CG2 . VAL B 1 73 ? -21.779 9.481 3.089 1.00 42.41 ? 73 VAL B CG2 1 ATOM 1143 N N . ALA B 1 74 ? -18.026 9.507 4.029 1.00 32.80 ? 74 ALA B N 1 ATOM 1144 C CA . ALA B 1 74 ? -17.306 8.546 4.902 1.00 29.87 ? 74 ALA B CA 1 ATOM 1145 C C . ALA B 1 74 ? -16.986 9.218 6.213 1.00 27.73 ? 74 ALA B C 1 ATOM 1146 O O . ALA B 1 74 ? -17.200 8.645 7.301 1.00 26.16 ? 74 ALA B O 1 ATOM 1147 C CB . ALA B 1 74 ? -16.020 8.094 4.227 1.00 29.46 ? 74 ALA B CB 1 ATOM 1148 N N . THR B 1 75 ? -16.454 10.428 6.136 1.00 26.85 ? 75 THR B N 1 ATOM 1149 C CA . THR B 1 75 ? -16.124 11.208 7.346 1.00 26.81 ? 75 THR B CA 1 ATOM 1150 C C . THR B 1 75 ? -17.335 11.431 8.292 1.00 26.38 ? 75 THR B C 1 ATOM 1151 O O . THR B 1 75 ? -17.212 11.282 9.530 1.00 25.34 ? 75 THR B O 1 ATOM 1152 C CB . THR B 1 75 ? -15.490 12.611 6.923 1.00 28.09 ? 75 THR B CB 1 ATOM 1153 O OG1 . THR B 1 75 ? -14.326 12.351 6.161 1.00 31.25 ? 75 THR B OG1 1 ATOM 1154 C CG2 . THR B 1 75 ? -15.100 13.479 8.115 1.00 28.21 ? 75 THR B CG2 1 ATOM 1155 N N . LYS B 1 76 ? -18.478 11.794 7.706 1.00 28.65 ? 76 LYS B N 1 ATOM 1156 C CA . LYS B 1 76 ? -19.738 11.954 8.443 1.00 30.05 ? 76 LYS B CA 1 ATOM 1157 C C . LYS B 1 76 ? -20.143 10.674 9.148 1.00 28.50 ? 76 LYS B C 1 ATOM 1158 O O . LYS B 1 76 ? -20.553 10.703 10.304 1.00 27.70 ? 76 LYS B O 1 ATOM 1159 C CB . LYS B 1 76 ? -20.856 12.443 7.513 1.00 32.97 ? 76 LYS B CB 1 ATOM 1160 C CG . LYS B 1 76 ? -20.588 13.849 6.902 1.00 38.55 ? 76 LYS B CG 1 ATOM 1161 C CD . LYS B 1 76 ? -21.459 14.079 5.629 1.00 40.93 ? 76 LYS B CD 1 ATOM 1162 C CE . LYS B 1 76 ? -21.130 15.406 4.912 1.00 46.76 ? 76 LYS B CE 1 ATOM 1163 N NZ . LYS B 1 76 ? -21.553 15.400 3.463 1.00 51.25 ? 76 LYS B NZ 1 ATOM 1164 N N . HIS B 1 77 ? -20.011 9.533 8.470 1.00 27.32 ? 77 HIS B N 1 ATOM 1165 C CA . HIS B 1 77 ? -20.350 8.260 9.092 1.00 25.57 ? 77 HIS B CA 1 ATOM 1166 C C . HIS B 1 77 ? -19.402 7.968 10.207 1.00 24.76 ? 77 HIS B C 1 ATOM 1167 O O . HIS B 1 77 ? -19.828 7.473 11.259 1.00 24.16 ? 77 HIS B O 1 ATOM 1168 C CB . HIS B 1 77 ? -20.399 7.081 8.057 1.00 25.93 ? 77 HIS B CB 1 ATOM 1169 C CG . HIS B 1 77 ? -21.702 7.035 7.317 1.00 29.70 ? 77 HIS B CG 1 ATOM 1170 N ND1 . HIS B 1 77 ? -22.887 6.713 7.939 1.00 31.00 ? 77 HIS B ND1 1 ATOM 1171 C CD2 . HIS B 1 77 ? -22.017 7.299 6.026 1.00 33.88 ? 77 HIS B CD2 1 ATOM 1172 C CE1 . HIS B 1 77 ? -23.877 6.760 7.059 1.00 37.48 ? 77 HIS B CE1 1 ATOM 1173 N NE2 . HIS B 1 77 ? -23.376 7.119 5.893 1.00 34.65 ? 77 HIS B NE2 1 ATOM 1174 N N . ALA B 1 78 ? -18.124 8.280 10.007 1.00 23.86 ? 78 ALA B N 1 ATOM 1175 C CA . ALA B 1 78 ? -17.122 8.044 11.078 1.00 21.59 ? 78 ALA B CA 1 ATOM 1176 C C . ALA B 1 78 ? -17.464 8.915 12.304 1.00 21.51 ? 78 ALA B C 1 ATOM 1177 O O . ALA B 1 78 ? -17.386 8.430 13.437 1.00 20.16 ? 78 ALA B O 1 ATOM 1178 C CB . ALA B 1 78 ? -15.714 8.290 10.579 1.00 21.48 ? 78 ALA B CB 1 ATOM 1179 N N . GLN B 1 79 ? -17.896 10.141 12.056 1.00 21.83 ? 79 GLN B N 1 ATOM 1180 C CA . GLN B 1 79 ? -18.337 11.063 13.109 1.00 25.09 ? 79 GLN B CA 1 ATOM 1181 C C . GLN B 1 79 ? -19.522 10.519 13.936 1.00 23.83 ? 79 GLN B C 1 ATOM 1182 O O . GLN B 1 79 ? -19.497 10.529 15.175 1.00 23.95 ? 79 GLN B O 1 ATOM 1183 C CB . GLN B 1 79 ? -18.664 12.443 12.531 1.00 25.16 ? 79 GLN B CB 1 ATOM 1184 C CG . GLN B 1 79 ? -17.396 13.281 12.248 1.00 31.77 ? 79 GLN B CG 1 ATOM 1185 C CD . GLN B 1 79 ? -17.644 14.615 11.500 1.00 32.35 ? 79 GLN B CD 1 ATOM 1186 O OE1 . GLN B 1 79 ? -18.402 14.666 10.525 1.00 38.70 ? 79 GLN B OE1 1 ATOM 1187 N NE2 . GLN B 1 79 ? -16.982 15.690 11.946 1.00 37.69 ? 79 GLN B NE2 1 ATOM 1188 N N . GLU B 1 80 ? -20.513 9.993 13.225 1.00 23.23 ? 80 GLU B N 1 ATOM 1189 C CA . GLU B 1 80 ? -21.661 9.368 13.846 1.00 24.36 ? 80 GLU B CA 1 ATOM 1190 C C . GLU B 1 80 ? -21.268 8.133 14.610 1.00 21.46 ? 80 GLU B C 1 ATOM 1191 O O . GLU B 1 80 ? -21.845 7.854 15.653 1.00 22.31 ? 80 GLU B O 1 ATOM 1192 C CB . GLU B 1 80 ? -22.663 8.970 12.763 1.00 26.39 ? 80 GLU B CB 1 ATOM 1193 C CG . GLU B 1 80 ? -23.073 10.132 11.933 1.00 34.33 ? 80 GLU B CG 1 ATOM 1194 C CD . GLU B 1 80 ? -24.537 10.175 11.707 1.00 48.67 ? 80 GLU B CD 1 ATOM 1195 O OE1 . GLU B 1 80 ? -25.227 10.535 12.680 1.00 52.90 ? 80 GLU B OE1 1 ATOM 1196 O OE2 . GLU B 1 80 ? -24.996 9.872 10.575 1.00 54.36 ? 80 GLU B OE2 1 ATOM 1197 N N . ALA B 1 81 ? -20.261 7.396 14.111 1.00 20.37 ? 81 ALA B N 1 ATOM 1198 C CA . ALA B 1 81 ? -19.808 6.219 14.798 1.00 17.54 ? 81 ALA B CA 1 ATOM 1199 C C . ALA B 1 81 ? -19.221 6.635 16.118 1.00 18.47 ? 81 ALA B C 1 ATOM 1200 O O . ALA B 1 81 ? -19.469 6.005 17.139 1.00 17.70 ? 81 ALA B O 1 ATOM 1201 C CB . ALA B 1 81 ? -18.767 5.491 13.963 1.00 15.40 ? 81 ALA B CB 1 ATOM 1202 N N . ILE B 1 82 ? -18.432 7.734 16.135 1.00 18.26 ? 82 ILE B N 1 ATOM 1203 C CA . ILE B 1 82 ? -17.857 8.158 17.408 1.00 18.86 ? 82 ILE B CA 1 ATOM 1204 C C . ILE B 1 82 ? -18.925 8.512 18.408 1.00 20.73 ? 82 ILE B C 1 ATOM 1205 O O . ILE B 1 82 ? -18.823 8.170 19.619 1.00 20.37 ? 82 ILE B O 1 ATOM 1206 C CB . ILE B 1 82 ? -16.955 9.375 17.184 1.00 20.40 ? 82 ILE B CB 1 ATOM 1207 C CG1 . ILE B 1 82 ? -15.705 8.932 16.409 1.00 21.09 ? 82 ILE B CG1 1 ATOM 1208 C CG2 . ILE B 1 82 ? -16.580 10.090 18.541 1.00 23.02 ? 82 ILE B CG2 1 ATOM 1209 C CD1 . ILE B 1 82 ? -15.088 10.129 15.688 1.00 26.77 ? 82 ILE B CD1 1 ATOM 1210 N N . GLU B 1 83 ? -19.941 9.243 17.954 1.00 19.61 ? 83 GLU B N 1 ATOM 1211 C CA . GLU B 1 83 ? -20.967 9.650 18.900 1.00 19.95 ? 83 GLU B CA 1 ATOM 1212 C C . GLU B 1 83 ? -21.650 8.389 19.481 1.00 20.82 ? 83 GLU B C 1 ATOM 1213 O O . GLU B 1 83 ? -22.036 8.374 20.629 1.00 21.93 ? 83 GLU B O 1 ATOM 1214 C CB . GLU B 1 83 ? -21.981 10.579 18.242 1.00 20.52 ? 83 GLU B CB 1 ATOM 1215 C CG . GLU B 1 83 ? -21.324 11.961 17.912 1.00 22.30 ? 83 GLU B CG 1 ATOM 1216 C CD . GLU B 1 83 ? -22.330 13.043 17.717 1.00 26.74 ? 83 GLU B CD 1 ATOM 1217 O OE1 . GLU B 1 83 ? -23.571 12.722 17.648 1.00 28.66 ? 83 GLU B OE1 1 ATOM 1218 O OE2 . GLU B 1 83 ? -21.917 14.243 17.669 1.00 28.31 ? 83 GLU B OE2 1 ATOM 1219 N N . HIS B 1 84 ? -21.889 7.374 18.666 1.00 20.14 ? 84 HIS B N 1 ATOM 1220 C CA . HIS B 1 84 ? -22.532 6.155 19.191 1.00 20.86 ? 84 HIS B CA 1 ATOM 1221 C C . HIS B 1 84 ? -21.599 5.456 20.136 1.00 20.28 ? 84 HIS B C 1 ATOM 1222 O O . HIS B 1 84 ? -22.035 5.017 21.224 1.00 22.02 ? 84 HIS B O 1 ATOM 1223 C CB . HIS B 1 84 ? -22.944 5.182 18.066 1.00 20.17 ? 84 HIS B CB 1 ATOM 1224 C CG . HIS B 1 84 ? -24.265 5.541 17.431 1.00 20.98 ? 84 HIS B CG 1 ATOM 1225 N ND1 . HIS B 1 84 ? -25.481 5.398 18.078 1.00 25.91 ? 84 HIS B ND1 1 ATOM 1226 C CD2 . HIS B 1 84 ? -24.552 6.074 16.217 1.00 24.09 ? 84 HIS B CD2 1 ATOM 1227 C CE1 . HIS B 1 84 ? -26.458 5.822 17.297 1.00 24.83 ? 84 HIS B CE1 1 ATOM 1228 N NE2 . HIS B 1 84 ? -25.925 6.229 16.155 1.00 24.96 ? 84 HIS B NE2 1 ATOM 1229 N N . LEU B 1 85 ? -20.340 5.310 19.725 1.00 18.70 ? 85 LEU B N 1 ATOM 1230 C CA . LEU B 1 85 ? -19.377 4.609 20.602 1.00 21.90 ? 85 LEU B CA 1 ATOM 1231 C C . LEU B 1 85 ? -19.242 5.320 21.929 1.00 23.38 ? 85 LEU B C 1 ATOM 1232 O O . LEU B 1 85 ? -19.216 4.684 22.974 1.00 25.69 ? 85 LEU B O 1 ATOM 1233 C CB . LEU B 1 85 ? -18.039 4.437 19.939 1.00 18.83 ? 85 LEU B CB 1 ATOM 1234 C CG . LEU B 1 85 ? -18.081 3.544 18.698 1.00 20.65 ? 85 LEU B CG 1 ATOM 1235 C CD1 . LEU B 1 85 ? -16.811 3.796 17.971 1.00 22.55 ? 85 LEU B CD1 1 ATOM 1236 C CD2 . LEU B 1 85 ? -18.226 2.104 19.152 1.00 20.06 ? 85 LEU B CD2 1 ATOM 1237 N N . ARG B 1 86 ? -19.200 6.646 21.898 1.00 24.38 ? 86 ARG B N 1 ATOM 1238 C CA . ARG B 1 86 ? -19.131 7.402 23.153 1.00 26.32 ? 86 ARG B CA 1 ATOM 1239 C C . ARG B 1 86 ? -20.418 7.297 23.963 1.00 28.65 ? 86 ARG B C 1 ATOM 1240 O O . ARG B 1 86 ? -20.356 7.295 25.194 1.00 31.67 ? 86 ARG B O 1 ATOM 1241 C CB . ARG B 1 86 ? -18.775 8.867 22.899 1.00 26.73 ? 86 ARG B CB 1 ATOM 1242 C CG . ARG B 1 86 ? -17.372 9.103 22.366 1.00 28.07 ? 86 ARG B CG 1 ATOM 1243 C CD . ARG B 1 86 ? -17.036 10.584 22.492 1.00 35.98 ? 86 ARG B CD 1 ATOM 1244 N NE . ARG B 1 86 ? -15.693 10.908 21.991 1.00 43.65 ? 86 ARG B NE 1 ATOM 1245 C CZ . ARG B 1 86 ? -14.570 10.729 22.700 1.00 48.24 ? 86 ARG B CZ 1 ATOM 1246 N NH1 . ARG B 1 86 ? -13.384 11.049 22.195 1.00 47.52 ? 86 ARG B NH1 1 ATOM 1247 N NH2 . ARG B 1 86 ? -14.630 10.223 23.933 1.00 50.22 ? 86 ARG B NH2 1 ATOM 1248 N N . ALA B 1 87 ? -21.576 7.222 23.299 1.00 28.14 ? 87 ALA B N 1 ATOM 1249 C CA . ALA B 1 87 ? -22.868 6.983 23.976 1.00 29.70 ? 87 ALA B CA 1 ATOM 1250 C C . ALA B 1 87 ? -22.929 5.595 24.592 1.00 30.15 ? 87 ALA B C 1 ATOM 1251 O O . ALA B 1 87 ? -23.743 5.344 25.464 1.00 30.81 ? 87 ALA B O 1 ATOM 1252 C CB . ALA B 1 87 ? -24.018 7.153 23.035 1.00 29.22 ? 87 ALA B CB 1 ATOM 1253 N N . SER B 1 88 ? -22.117 4.663 24.128 1.00 30.31 ? 88 SER B N 1 ATOM 1254 C CA . SER B 1 88 ? -22.200 3.343 24.786 1.00 32.80 ? 88 SER B CA 1 ATOM 1255 C C . SER B 1 88 ? -21.654 3.490 26.240 1.00 35.02 ? 88 SER B C 1 ATOM 1256 O O . SER B 1 88 ? -22.074 2.731 27.124 1.00 39.77 ? 88 SER B O 1 ATOM 1257 C CB . SER B 1 88 ? -21.501 2.264 23.970 1.00 31.55 ? 88 SER B CB 1 ATOM 1258 O OG . SER B 1 88 ? -20.126 2.402 24.095 1.00 31.35 ? 88 SER B OG 1 HETATM 1259 NI NI . NI C 2 . ? -10.784 -8.208 23.604 1.00 18.89 ? 94 NI A NI 1 HETATM 1260 O O . HOH D 3 . ? -3.860 -8.190 26.954 1.00 46.27 ? 95 HOH A O 1 HETATM 1261 O O . HOH D 3 . ? -7.988 -4.000 12.222 1.00 21.30 ? 96 HOH A O 1 HETATM 1262 O O . HOH D 3 . ? 6.462 -20.598 7.569 1.00 41.99 ? 97 HOH A O 1 HETATM 1263 O O . HOH D 3 . ? -5.271 -4.038 19.035 1.00 23.01 ? 98 HOH A O 1 HETATM 1264 O O . HOH D 3 . ? 4.430 -3.136 9.523 1.00 26.91 ? 99 HOH A O 1 HETATM 1265 O O . HOH D 3 . ? -14.903 -9.649 17.121 1.00 29.44 ? 100 HOH A O 1 HETATM 1266 O O . HOH D 3 . ? -3.229 -21.254 2.244 1.00 30.62 ? 101 HOH A O 1 HETATM 1267 O O . HOH D 3 . ? -7.846 -4.505 7.532 1.00 19.75 ? 102 HOH A O 1 HETATM 1268 O O . HOH D 3 . ? -7.543 -19.327 20.408 1.00 23.56 ? 103 HOH A O 1 HETATM 1269 O O . HOH D 3 . ? -4.650 -19.769 -8.400 1.00 31.60 ? 104 HOH A O 1 HETATM 1270 O O . HOH D 3 . ? -3.393 -3.394 12.210 1.00 23.31 ? 105 HOH A O 1 HETATM 1271 O O . HOH D 3 . ? -10.559 -10.895 1.816 1.00 27.70 ? 106 HOH A O 1 HETATM 1272 O O . HOH D 3 . ? -4.415 -19.679 -1.823 1.00 27.46 ? 107 HOH A O 1 HETATM 1273 O O . HOH D 3 . ? -8.770 -13.089 28.525 1.00 36.65 ? 108 HOH A O 1 HETATM 1274 O O . HOH D 3 . ? 2.597 -7.110 -4.890 1.00 35.91 ? 109 HOH A O 1 HETATM 1275 O O . HOH D 3 . ? -3.977 -20.188 4.701 1.00 24.98 ? 110 HOH A O 1 HETATM 1276 O O . HOH D 3 . ? -6.650 -12.937 -8.866 1.00 31.42 ? 111 HOH A O 1 HETATM 1277 O O . HOH D 3 . ? 10.391 -6.409 0.780 1.00 36.64 ? 112 HOH A O 1 HETATM 1278 O O . HOH D 3 . ? 9.705 -16.800 13.984 1.00 33.21 ? 113 HOH A O 1 HETATM 1279 O O . HOH D 3 . ? 8.588 -21.990 10.271 1.00 35.87 ? 114 HOH A O 1 HETATM 1280 O O . HOH D 3 . ? -6.858 -2.358 5.986 1.00 42.48 ? 115 HOH A O 1 HETATM 1281 O O . HOH D 3 . ? -10.229 -16.166 26.419 1.00 39.75 ? 116 HOH A O 1 HETATM 1282 O O . HOH D 3 . ? -12.152 -20.379 14.302 1.00 47.62 ? 117 HOH A O 1 HETATM 1283 O O . HOH D 3 . ? -7.561 -3.203 9.710 1.00 28.45 ? 118 HOH A O 1 HETATM 1284 O O . HOH D 3 . ? -4.630 -21.538 -0.252 1.00 28.78 ? 119 HOH A O 1 HETATM 1285 O O . HOH D 3 . ? -13.230 -10.845 18.667 1.00 33.97 ? 120 HOH A O 1 HETATM 1286 O O . HOH D 3 . ? -9.459 -17.873 7.663 1.00 33.39 ? 121 HOH A O 1 HETATM 1287 O O . HOH D 3 . ? 9.968 -11.417 12.122 1.00 39.52 ? 122 HOH A O 1 HETATM 1288 O O . HOH D 3 . ? -3.288 -6.391 -4.877 1.00 39.41 ? 123 HOH A O 1 HETATM 1289 O O . HOH D 3 . ? -6.162 -20.001 23.397 1.00 44.20 ? 124 HOH A O 1 HETATM 1290 O O . HOH D 3 . ? 0.961 -4.910 21.486 1.00 45.91 ? 125 HOH A O 1 HETATM 1291 O O . HOH D 3 . ? 8.620 -6.659 13.047 1.00 42.26 ? 126 HOH A O 1 HETATM 1292 O O . HOH D 3 . ? -4.285 -15.496 -8.561 1.00 37.32 ? 127 HOH A O 1 HETATM 1293 O O . HOH D 3 . ? 2.812 -15.643 -2.998 1.00 40.34 ? 128 HOH A O 1 HETATM 1294 O O . HOH D 3 . ? -12.050 -14.582 9.774 1.00 54.62 ? 129 HOH A O 1 HETATM 1295 O O . HOH D 3 . ? -12.247 -8.936 13.414 1.00 38.06 ? 130 HOH A O 1 HETATM 1296 O O . HOH D 3 . ? 5.766 -17.465 0.241 1.00 35.70 ? 131 HOH A O 1 HETATM 1297 O O . HOH D 3 . ? -2.640 -18.347 -8.488 1.00 42.55 ? 132 HOH A O 1 HETATM 1298 O O . HOH D 3 . ? -4.084 -21.447 -9.977 1.00 57.13 ? 133 HOH A O 1 HETATM 1299 O O . HOH D 3 . ? 1.802 -21.427 8.943 1.00 35.06 ? 134 HOH A O 1 HETATM 1300 O O . HOH D 3 . ? 5.871 -19.273 1.924 1.00 39.66 ? 135 HOH A O 1 HETATM 1301 O O . HOH D 3 . ? -4.507 -2.405 3.984 1.00 36.70 ? 136 HOH A O 1 HETATM 1302 O O . HOH D 3 . ? -5.013 -3.215 1.574 1.00 38.18 ? 137 HOH A O 1 HETATM 1303 O O . HOH D 3 . ? -7.507 -2.600 0.651 1.00 43.90 ? 138 HOH A O 1 HETATM 1304 O O . HOH D 3 . ? -13.717 -5.881 10.803 1.00 40.94 ? 139 HOH A O 1 HETATM 1305 O O . HOH D 3 . ? -13.295 -8.835 8.656 1.00 39.38 ? 140 HOH A O 1 HETATM 1306 O O . HOH D 3 . ? -12.958 -11.098 12.486 1.00 39.45 ? 141 HOH A O 1 HETATM 1307 O O . HOH D 3 . ? -14.315 -13.504 17.909 1.00 34.00 ? 142 HOH A O 1 HETATM 1308 O O . HOH D 3 . ? -1.708 -1.964 11.144 1.00 45.09 ? 143 HOH A O 1 HETATM 1309 O O . HOH D 3 . ? -10.391 -4.869 7.369 1.00 50.54 ? 144 HOH A O 1 HETATM 1310 O O . HOH D 3 . ? -1.653 -20.451 -7.353 1.00 52.13 ? 145 HOH A O 1 HETATM 1311 O O . HOH D 3 . ? -6.593 -20.741 -7.756 1.00 44.92 ? 146 HOH A O 1 HETATM 1312 O O . HOH D 3 . ? -3.159 -20.562 -4.057 1.00 30.65 ? 147 HOH A O 1 HETATM 1313 O O . HOH D 3 . ? -5.747 -22.223 6.009 1.00 44.44 ? 148 HOH A O 1 HETATM 1314 O O . HOH D 3 . ? 6.386 -8.217 19.424 1.00 33.38 ? 149 HOH A O 1 HETATM 1315 O O . HOH E 3 . ? -4.580 -3.731 21.570 1.00 41.68 ? 94 HOH B O 1 HETATM 1316 O O . HOH E 3 . ? -26.804 6.751 14.044 1.00 21.01 ? 95 HOH B O 1 HETATM 1317 O O . HOH E 3 . ? -4.902 -5.767 26.033 1.00 45.70 ? 96 HOH B O 1 HETATM 1318 O O . HOH E 3 . ? -6.322 -0.799 8.988 1.00 24.51 ? 97 HOH B O 1 HETATM 1319 O O . HOH E 3 . ? -8.805 -9.559 27.490 1.00 26.77 ? 98 HOH B O 1 HETATM 1320 O O . HOH E 3 . ? -13.277 -7.802 15.742 1.00 21.05 ? 99 HOH B O 1 HETATM 1321 O O . HOH E 3 . ? -12.268 -3.880 9.963 1.00 21.10 ? 100 HOH B O 1 HETATM 1322 O O . HOH E 3 . ? -22.041 10.735 22.100 1.00 21.72 ? 101 HOH B O 1 HETATM 1323 O O . HOH E 3 . ? -4.612 8.755 2.556 1.00 42.49 ? 102 HOH B O 1 HETATM 1324 O O . HOH E 3 . ? -11.206 13.569 15.054 1.00 26.20 ? 103 HOH B O 1 HETATM 1325 O O . HOH E 3 . ? -11.531 -3.058 29.490 1.00 29.52 ? 104 HOH B O 1 HETATM 1326 O O . HOH E 3 . ? -28.411 7.391 24.267 1.00 33.48 ? 105 HOH B O 1 HETATM 1327 O O . HOH E 3 . ? -7.436 0.327 3.955 1.00 34.35 ? 106 HOH B O 1 HETATM 1328 O O . HOH E 3 . ? -14.636 -3.518 30.336 1.00 33.05 ? 107 HOH B O 1 HETATM 1329 O O . HOH E 3 . ? -18.326 12.562 -0.314 1.00 38.64 ? 108 HOH B O 1 HETATM 1330 O O . HOH E 3 . ? -10.036 9.162 22.422 1.00 32.43 ? 109 HOH B O 1 HETATM 1331 O O . HOH E 3 . ? -18.261 12.889 16.119 1.00 29.75 ? 110 HOH B O 1 HETATM 1332 O O . HOH E 3 . ? -25.743 1.068 24.123 1.00 34.16 ? 111 HOH B O 1 HETATM 1333 O O . HOH E 3 . ? -5.436 -1.472 17.671 1.00 31.11 ? 112 HOH B O 1 HETATM 1334 O O . HOH E 3 . ? -8.764 -4.893 28.767 1.00 32.69 ? 113 HOH B O 1 HETATM 1335 O O . HOH E 3 . ? -6.868 -3.588 22.756 1.00 32.20 ? 114 HOH B O 1 HETATM 1336 O O . HOH E 3 . ? -17.317 1.909 27.623 1.00 40.14 ? 115 HOH B O 1 HETATM 1337 O O . HOH E 3 . ? -7.887 10.002 19.936 1.00 36.05 ? 116 HOH B O 1 HETATM 1338 O O . HOH E 3 . ? -19.345 12.569 20.911 1.00 41.46 ? 117 HOH B O 1 HETATM 1339 O O . HOH E 3 . ? -10.734 6.667 23.362 1.00 27.39 ? 118 HOH B O 1 HETATM 1340 O O . HOH E 3 . ? -17.870 -1.613 4.776 1.00 35.83 ? 119 HOH B O 1 HETATM 1341 O O . HOH E 3 . ? -5.965 8.874 0.022 1.00 52.31 ? 120 HOH B O 1 HETATM 1342 O O . HOH E 3 . ? -2.678 -2.630 14.564 1.00 41.28 ? 121 HOH B O 1 HETATM 1343 O O . HOH E 3 . ? -12.282 -9.750 27.828 1.00 38.34 ? 122 HOH B O 1 HETATM 1344 O O . HOH E 3 . ? -17.545 4.799 26.252 1.00 45.22 ? 123 HOH B O 1 HETATM 1345 O O . HOH E 3 . ? -20.620 1.120 28.525 1.00 51.22 ? 124 HOH B O 1 HETATM 1346 O O . HOH E 3 . ? -2.808 0.719 14.906 1.00 41.44 ? 125 HOH B O 1 HETATM 1347 O O . HOH E 3 . ? -21.345 10.523 -1.761 1.00 51.20 ? 126 HOH B O 1 HETATM 1348 O O . HOH E 3 . ? -18.103 -9.598 16.625 1.00 51.07 ? 127 HOH B O 1 HETATM 1349 O O . HOH E 3 . ? -25.828 3.430 9.543 1.00 48.98 ? 128 HOH B O 1 HETATM 1350 O O . HOH E 3 . ? -14.125 -9.055 26.289 1.00 34.11 ? 129 HOH B O 1 HETATM 1351 O O . HOH E 3 . ? -15.365 -7.112 24.671 1.00 35.58 ? 130 HOH B O 1 HETATM 1352 O O . HOH E 3 . ? -24.489 8.991 15.630 1.00 33.02 ? 131 HOH B O 1 HETATM 1353 O O . HOH E 3 . ? -6.139 2.414 3.265 1.00 39.01 ? 132 HOH B O 1 HETATM 1354 O O . HOH E 3 . ? -0.447 2.613 6.733 1.00 46.60 ? 133 HOH B O 1 HETATM 1355 O O . HOH E 3 . ? -6.359 -1.038 24.595 1.00 44.32 ? 134 HOH B O 1 HETATM 1356 O O . HOH E 3 . ? -8.122 1.256 25.054 1.00 35.78 ? 135 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . SER A 1 ? 0.2595 0.2550 0.2323 -0.0077 0.0782 -0.0098 1 SER A N 2 C CA . SER A 1 ? 0.2779 0.2775 0.2539 -0.0201 0.0884 0.0039 1 SER A CA 3 C C . SER A 1 ? 0.2983 0.2823 0.2465 -0.0216 0.0862 0.0172 1 SER A C 4 O O . SER A 1 ? 0.2858 0.2619 0.2190 -0.0155 0.0750 0.0140 1 SER A O 5 C CB . SER A 1 ? 0.2592 0.2526 0.2587 -0.0263 0.0836 0.0073 1 SER A CB 6 O OG . SER A 1 ? 0.2544 0.2651 0.2772 -0.0213 0.0809 -0.0048 1 SER A OG 7 N N . GLY A 2 ? 0.3128 0.2915 0.2546 -0.0300 0.0964 0.0329 2 GLY A N 8 C CA . GLY A 2 ? 0.3326 0.2971 0.2472 -0.0269 0.0928 0.0483 2 GLY A CA 9 C C . GLY A 2 ? 0.3297 0.2749 0.2505 -0.0243 0.0799 0.0545 2 GLY A C 10 O O . GLY A 2 ? 0.2974 0.2388 0.2425 -0.0264 0.0746 0.0472 2 GLY A O 11 N N . HIS A 3 ? 0.3602 0.2969 0.2581 -0.0178 0.0749 0.0684 3 HIS A N 12 C CA . HIS A 3 ? 0.3464 0.2705 0.2482 -0.0116 0.0620 0.0742 3 HIS A CA 13 C C . HIS A 3 ? 0.3332 0.2372 0.2571 -0.0177 0.0677 0.0788 3 HIS A C 14 O O . HIS A 3 ? 0.3105 0.2118 0.2526 -0.0168 0.0589 0.0715 3 HIS A O 15 C CB . HIS A 3 ? 0.3937 0.3166 0.2651 -0.0011 0.0589 0.0920 3 HIS A CB 16 C CG . HIS A 3 ? 0.4104 0.3256 0.2854 0.0087 0.0466 0.0990 3 HIS A CG 17 N ND1 . HIS A 3 ? 0.4296 0.3637 0.3077 0.0138 0.0298 0.0880 3 HIS A ND1 18 C CD2 . HIS A 3 ? 0.4475 0.3387 0.3246 0.0146 0.0496 0.1149 3 HIS A CD2 19 C CE1 . HIS A 3 ? 0.4590 0.3868 0.3427 0.0231 0.0228 0.0967 3 HIS A CE1 20 N NE2 . HIS A 3 ? 0.4464 0.3465 0.3282 0.0257 0.0343 0.1131 3 HIS A NE2 21 N N . THR A 4 ? 0.3429 0.2341 0.2650 -0.0262 0.0843 0.0894 4 THR A N 22 C CA . THR A 4 ? 0.3512 0.2183 0.2920 -0.0342 0.0911 0.0925 4 THR A CA 23 C C . THR A 4 ? 0.3042 0.1853 0.2768 -0.0420 0.0872 0.0721 4 THR A C 24 O O . THR A 4 ? 0.2958 0.1667 0.2843 -0.0421 0.0816 0.0670 4 THR A O 25 C CB . THR A 4 ? 0.3766 0.2281 0.3111 -0.0469 0.1121 0.1053 4 THR A CB 26 O OG1 . THR A 4 ? 0.4289 0.2653 0.3297 -0.0368 0.1155 0.1283 4 THR A OG1 27 C CG2 . THR A 4 ? 0.3774 0.2005 0.3319 -0.0591 0.1208 0.1050 4 THR A CG2 28 N N . ALA A 5 ? 0.3065 0.2134 0.2873 -0.0469 0.0907 0.0601 5 ALA A N 29 C CA . ALA A 5 ? 0.2785 0.2031 0.2878 -0.0519 0.0876 0.0428 5 ALA A CA 30 C C . ALA A 5 ? 0.2509 0.1788 0.2639 -0.0407 0.0699 0.0352 5 ALA A C 31 O O . ALA A 5 ? 0.2378 0.1687 0.2694 -0.0420 0.0641 0.0270 5 ALA A O 32 C CB . ALA A 5 ? 0.2848 0.2384 0.2992 -0.0545 0.0953 0.0336 5 ALA A CB 33 N N . HIS A 6 ? 0.2546 0.1833 0.2491 -0.0309 0.0615 0.0374 6 HIS A N 34 C CA . HIS A 6 ? 0.2331 0.1634 0.2312 -0.0240 0.0468 0.0313 6 HIS A CA 35 C C . HIS A 6 ? 0.2462 0.1642 0.2482 -0.0219 0.0405 0.0370 6 HIS A C 36 O O . HIS A 6 ? 0.2528 0.1752 0.2684 -0.0208 0.0330 0.0303 6 HIS A O 37 C CB . HIS A 6 ? 0.2419 0.1762 0.2206 -0.0179 0.0400 0.0295 6 HIS A CB 38 C CG . HIS A 6 ? 0.2110 0.1556 0.1890 -0.0167 0.0437 0.0182 6 HIS A CG 39 N ND1 . HIS A 6 ? 0.2211 0.1712 0.2163 -0.0146 0.0420 0.0085 6 HIS A ND1 40 C CD2 . HIS A 6 ? 0.2278 0.1788 0.1890 -0.0147 0.0490 0.0148 6 HIS A CD2 41 C CE1 . HIS A 6 ? 0.2681 0.2253 0.2588 -0.0101 0.0466 -0.0002 6 HIS A CE1 42 N NE2 . HIS A 6 ? 0.2164 0.1744 0.1869 -0.0109 0.0513 0.0020 6 HIS A NE2 43 N N . VAL A 7 ? 0.2655 0.1690 0.2539 -0.0190 0.0436 0.0501 7 VAL A N 44 C CA . VAL A 7 ? 0.2727 0.1639 0.2653 -0.0134 0.0387 0.0550 7 VAL A CA 45 C C . VAL A 7 ? 0.2793 0.1631 0.2935 -0.0216 0.0444 0.0470 7 VAL A C 46 O O . VAL A 7 ? 0.2674 0.1539 0.2933 -0.0187 0.0375 0.0404 7 VAL A O 47 C CB . VAL A 7 ? 0.3082 0.1830 0.2807 -0.0049 0.0416 0.0724 7 VAL A CB 48 C CG1 . VAL A 7 ? 0.3325 0.1906 0.3113 0.0036 0.0390 0.0768 7 VAL A CG1 49 C CG2 . VAL A 7 ? 0.2720 0.1657 0.2254 0.0035 0.0316 0.0753 7 VAL A CG2 50 N N . ASP A 8 ? 0.2957 0.1747 0.3156 -0.0332 0.0574 0.0459 8 ASP A N 51 C CA . ASP A 8 ? 0.3104 0.1869 0.3524 -0.0441 0.0629 0.0348 8 ASP A CA 52 C C . ASP A 8 ? 0.2734 0.1773 0.3326 -0.0437 0.0533 0.0192 8 ASP A C 53 O O . ASP A 8 ? 0.2461 0.1503 0.3174 -0.0441 0.0492 0.0106 8 ASP A O 54 C CB . ASP A 8 ? 0.3379 0.2146 0.3858 -0.0600 0.0788 0.0340 8 ASP A CB 55 C CG . ASP A 8 ? 0.3784 0.2548 0.4500 -0.0752 0.0852 0.0199 8 ASP A CG 56 O OD1 . ASP A 8 ? 0.4315 0.3351 0.5191 -0.0866 0.0903 0.0090 8 ASP A OD1 57 O OD2 . ASP A 8 ? 0.4573 0.3077 0.5311 -0.0754 0.0858 0.0190 8 ASP A OD2 58 N N . GLU A 9 ? 0.2477 0.1734 0.3061 -0.0411 0.0498 0.0157 9 GLU A N 59 C CA . GLU A 9 ? 0.2366 0.1848 0.3075 -0.0375 0.0411 0.0048 9 GLU A CA 60 C C . GLU A 9 ? 0.2248 0.1684 0.2899 -0.0287 0.0296 0.0072 9 GLU A C 61 O O . GLU A 9 ? 0.2150 0.1702 0.2904 -0.0275 0.0240 0.0001 9 GLU A O 62 C CB . GLU A 9 ? 0.2299 0.1946 0.2978 -0.0327 0.0408 0.0024 9 GLU A CB 63 C CG . GLU A 9 ? 0.2807 0.2635 0.3598 -0.0400 0.0518 -0.0033 9 GLU A CG 64 C CD . GLU A 9 ? 0.3572 0.3617 0.4606 -0.0483 0.0532 -0.0152 9 GLU A CD 65 O OE1 . GLU A 9 ? 0.3190 0.3355 0.4299 -0.0425 0.0435 -0.0212 9 GLU A OE1 66 O OE2 . GLU A 9 ? 0.5113 0.5218 0.6257 -0.0624 0.0647 -0.0190 9 GLU A OE2 67 N N . ALA A 10 ? 0.2215 0.1533 0.2705 -0.0232 0.0262 0.0166 10 ALA A N 68 C CA . ALA A 10 ? 0.2028 0.1371 0.2497 -0.0170 0.0162 0.0177 10 ALA A CA 69 C C . ALA A 10 ? 0.2138 0.1441 0.2706 -0.0159 0.0162 0.0148 10 ALA A C 70 O O . ALA A 10 ? 0.2068 0.1495 0.2709 -0.0140 0.0106 0.0092 10 ALA A O 71 C CB . ALA A 10 ? 0.2175 0.1475 0.2475 -0.0122 0.0121 0.0262 10 ALA A CB 72 N N . VAL A 11 ? 0.2325 0.1436 0.2883 -0.0173 0.0240 0.0185 11 VAL A N 73 C CA . VAL A 11 ? 0.2441 0.1435 0.3082 -0.0156 0.0260 0.0137 11 VAL A CA 74 C C . VAL A 11 ? 0.2543 0.1686 0.3356 -0.0240 0.0267 -0.0025 11 VAL A C 75 O O . VAL A 11 ? 0.2437 0.1684 0.3315 -0.0203 0.0219 -0.0109 11 VAL A O 76 C CB . VAL A 11 ? 0.2728 0.1394 0.3298 -0.0157 0.0365 0.0225 11 VAL A CB 77 C CG1 . VAL A 11 ? 0.2891 0.1360 0.3557 -0.0156 0.0412 0.0138 11 VAL A CG1 78 C CG2 . VAL A 11 ? 0.2941 0.1537 0.3329 -0.0025 0.0327 0.0385 11 VAL A CG2 79 N N . LYS A 12 ? 0.2537 0.1757 0.3420 -0.0346 0.0323 -0.0077 12 LYS A N 80 C CA . LYS A 12 ? 0.2589 0.2026 0.3640 -0.0424 0.0321 -0.0239 12 LYS A CA 81 C C . LYS A 12 ? 0.2135 0.1852 0.3196 -0.0344 0.0210 -0.0274 12 LYS A C 82 O O . LYS A 12 ? 0.1775 0.1660 0.2921 -0.0350 0.0176 -0.0395 12 LYS A O 83 C CB . LYS A 12 ? 0.2670 0.2229 0.3813 -0.0541 0.0397 -0.0283 12 LYS A CB 84 C CG . LYS A 12 ? 0.3504 0.2785 0.4665 -0.0676 0.0541 -0.0270 12 LYS A CG 85 C CD . LYS A 12 ? 0.3661 0.3176 0.4978 -0.0831 0.0625 -0.0362 12 LYS A CD 86 C CE . LYS A 12 ? 0.4142 0.3989 0.5457 -0.0748 0.0572 -0.0340 12 LYS A CE 87 N NZ . LYS A 12 ? 0.4515 0.4604 0.5985 -0.0891 0.0683 -0.0413 12 LYS A NZ 88 N N . HIS A 13 ? 0.1899 0.1665 0.2861 -0.0275 0.0161 -0.0175 13 HIS A N 89 C CA . HIS A 13 ? 0.1738 0.1693 0.2684 -0.0208 0.0078 -0.0176 13 HIS A CA 90 C C . HIS A 13 ? 0.1822 0.1762 0.2725 -0.0162 0.0034 -0.0158 13 HIS A C 91 O O . HIS A 13 ? 0.1924 0.2052 0.2847 -0.0136 -0.0008 -0.0201 13 HIS A O 92 C CB . HIS A 13 ? 0.1598 0.1527 0.2440 -0.0160 0.0055 -0.0083 13 HIS A CB 93 C CG . HIS A 13 ? 0.1555 0.1623 0.2458 -0.0151 0.0078 -0.0122 13 HIS A CG 94 N ND1 . HIS A 13 ? 0.1858 0.2184 0.2840 -0.0105 0.0039 -0.0179 13 HIS A ND1 95 C CD2 . HIS A 13 ? 0.2175 0.2208 0.3071 -0.0165 0.0136 -0.0115 13 HIS A CD2 96 C CE1 . HIS A 13 ? 0.2291 0.2752 0.3338 -0.0081 0.0067 -0.0210 13 HIS A CE1 97 N NE2 . HIS A 13 ? 0.2323 0.2606 0.3322 -0.0123 0.0134 -0.0177 13 HIS A NE2 98 N N . ALA A 14 ? 0.1732 0.1490 0.2573 -0.0141 0.0047 -0.0091 14 ALA A N 99 C CA . ALA A 14 ? 0.1769 0.1573 0.2597 -0.0081 0.0011 -0.0084 14 ALA A CA 100 C C . ALA A 14 ? 0.1768 0.1602 0.2694 -0.0081 0.0039 -0.0218 14 ALA A C 101 O O . ALA A 14 ? 0.1771 0.1783 0.2717 -0.0041 0.0009 -0.0273 14 ALA A O 102 C CB . ALA A 14 ? 0.1612 0.1265 0.2364 -0.0029 0.0012 0.0011 14 ALA A CB 103 N N . GLU A 15 ? 0.1789 0.1449 0.2772 -0.0140 0.0108 -0.0284 15 GLU A N 104 C CA . GLU A 15 ? 0.2049 0.1718 0.3131 -0.0167 0.0140 -0.0459 15 GLU A CA 105 C C . GLU A 15 ? 0.1895 0.1913 0.3035 -0.0197 0.0090 -0.0579 15 GLU A C 106 O O . GLU A 15 ? 0.1927 0.2074 0.3096 -0.0174 0.0079 -0.0708 15 GLU A O 107 C CB . GLU A 15 ? 0.2375 0.1773 0.3517 -0.0270 0.0239 -0.0519 15 GLU A CB 108 C CG . GLU A 15 ? 0.2774 0.1789 0.3821 -0.0197 0.0295 -0.0383 15 GLU A CG 109 C CD . GLU A 15 ? 0.4248 0.2918 0.5321 -0.0313 0.0421 -0.0400 15 GLU A CD 110 O OE1 . GLU A 15 ? 0.4212 0.2986 0.5370 -0.0470 0.0463 -0.0466 15 GLU A OE1 111 O OE2 . GLU A 15 ? 0.4943 0.3242 0.5952 -0.0244 0.0486 -0.0339 15 GLU A OE2 112 N N . GLU A 16 ? 0.1849 0.2037 0.2996 -0.0234 0.0064 -0.0545 16 GLU A N 113 C CA . GLU A 16 ? 0.1758 0.2302 0.2934 -0.0224 0.0006 -0.0626 16 GLU A CA 114 C C . GLU A 16 ? 0.1830 0.2509 0.2892 -0.0127 -0.0052 -0.0529 16 GLU A C 115 O O . GLU A 16 ? 0.1774 0.2721 0.2827 -0.0100 -0.0086 -0.0610 16 GLU A O 116 C CB . GLU A 16 ? 0.1701 0.2400 0.2907 -0.0238 -0.0010 -0.0589 16 GLU A CB 117 C CG . GLU A 16 ? 0.2555 0.3664 0.3838 -0.0237 -0.0060 -0.0723 16 GLU A CG 118 C CD . GLU A 16 ? 0.3434 0.4630 0.4876 -0.0375 -0.0018 -0.0960 16 GLU A CD 119 O OE1 . GLU A 16 ? 0.3839 0.5416 0.5342 -0.0385 -0.0069 -0.1117 16 GLU A OE1 120 O OE2 . GLU A 16 ? 0.4437 0.5309 0.5934 -0.0478 0.0071 -0.0998 16 GLU A OE2 121 N N . ALA A 17 ? 0.1677 0.2201 0.2647 -0.0090 -0.0059 -0.0362 17 ALA A N 122 C CA . ALA A 17 ? 0.1655 0.2303 0.2536 -0.0041 -0.0091 -0.0278 17 ALA A CA 123 C C . ALA A 17 ? 0.1532 0.2287 0.2443 -0.0010 -0.0078 -0.0380 17 ALA A C 124 O O . ALA A 17 ? 0.1530 0.2538 0.2398 0.0019 -0.0094 -0.0399 17 ALA A O 125 C CB . ALA A 17 ? 0.1486 0.1949 0.2296 -0.0047 -0.0092 -0.0128 17 ALA A CB 126 N N . VAL A 18 ? 0.1735 0.2290 0.2704 0.0001 -0.0041 -0.0437 18 VAL A N 127 C CA . VAL A 18 ? 0.1695 0.2317 0.2700 0.0066 -0.0019 -0.0552 18 VAL A CA 128 C C . VAL A 18 ? 0.1839 0.2672 0.2877 0.0044 -0.0017 -0.0748 18 VAL A C 129 O O . VAL A 18 ? 0.1979 0.3085 0.2987 0.0095 -0.0023 -0.0825 18 VAL A O 130 C CB . VAL A 18 ? 0.1689 0.1982 0.2737 0.0111 0.0029 -0.0573 18 VAL A CB 131 C CG1 . VAL A 18 ? 0.1732 0.2042 0.2831 0.0195 0.0068 -0.0751 18 VAL A CG1 132 C CG2 . VAL A 18 ? 0.1882 0.2120 0.2881 0.0171 0.0007 -0.0398 18 VAL A CG2 133 N N . ALA A 19 ? 0.1885 0.2652 0.2986 -0.0039 -0.0007 -0.0848 19 ALA A N 134 C CA . ALA A 19 ? 0.1806 0.2811 0.2952 -0.0080 -0.0014 -0.1067 19 ALA A CA 135 C C . ALA A 19 ? 0.1913 0.3357 0.2961 -0.0034 -0.0082 -0.1028 19 ALA A C 136 O O . ALA A 19 ? 0.1838 0.3570 0.2857 -0.0008 -0.0093 -0.1181 19 ALA A O 137 C CB . ALA A 19 ? 0.2074 0.2999 0.3332 -0.0209 0.0008 -0.1178 19 ALA A CB 138 N N . HIS A 20 ? 0.1619 0.3096 0.2598 -0.0017 -0.0119 -0.0825 20 HIS A N 139 C CA . HIS A 20 ? 0.1783 0.3590 0.2630 0.0046 -0.0169 -0.0724 20 HIS A CA 140 C C . HIS A 20 ? 0.1510 0.3415 0.2262 0.0093 -0.0145 -0.0665 20 HIS A C 141 O O . HIS A 20 ? 0.1920 0.4156 0.2572 0.0136 -0.0158 -0.0688 20 HIS A O 142 C CB . HIS A 20 ? 0.1483 0.3156 0.2268 0.0065 -0.0191 -0.0498 20 HIS A CB 143 C CG . HIS A 20 ? 0.1410 0.3217 0.2255 0.0070 -0.0229 -0.0547 20 HIS A CG 144 N ND1 . HIS A 20 ? 0.1530 0.3746 0.2350 0.0121 -0.0286 -0.0631 20 HIS A ND1 145 C CD2 . HIS A 20 ? 0.1563 0.3207 0.2492 0.0040 -0.0219 -0.0524 20 HIS A CD2 146 C CE1 . HIS A 20 ? 0.1192 0.3517 0.2103 0.0126 -0.0316 -0.0663 20 HIS A CE1 147 N NE2 . HIS A 20 ? 0.1675 0.3649 0.2654 0.0076 -0.0268 -0.0596 20 HIS A NE2 148 N N . GLY A 21 ? 0.1925 0.3591 0.2714 0.0088 -0.0107 -0.0597 21 GLY A N 149 C CA . GLY A 21 ? 0.1637 0.3437 0.2370 0.0120 -0.0077 -0.0522 21 GLY A CA 150 C C . GLY A 21 ? 0.1868 0.3900 0.2623 0.0172 -0.0051 -0.0722 21 GLY A C 151 O O . GLY A 21 ? 0.1901 0.4241 0.2567 0.0200 -0.0031 -0.0696 21 GLY A O 152 N N . LYS A 22 ? 0.1895 0.3764 0.2757 0.0178 -0.0037 -0.0926 22 LYS A N 153 C CA . LYS A 22 ? 0.2014 0.4045 0.2899 0.0231 -0.0004 -0.1166 22 LYS A CA 154 C C . LYS A 22 ? 0.2088 0.4523 0.2875 0.0219 -0.0037 -0.1282 22 LYS A C 155 O O . LYS A 22 ? 0.2160 0.4864 0.2908 0.0272 -0.0011 -0.1454 22 LYS A O 156 C CB . LYS A 22 ? 0.2186 0.3864 0.3192 0.0217 0.0030 -0.1357 22 LYS A CB 157 C CG . LYS A 22 ? 0.2363 0.3652 0.3433 0.0274 0.0065 -0.1239 22 LYS A CG 158 C CD . LYS A 22 ? 0.3191 0.4072 0.4348 0.0246 0.0117 -0.1409 22 LYS A CD 159 C CE . LYS A 22 ? 0.4160 0.4625 0.5353 0.0351 0.0166 -0.1327 22 LYS A CE 160 N NZ . LYS A 22 ? 0.4271 0.4269 0.5518 0.0263 0.0229 -0.1427 22 LYS A NZ 161 N N . GLU A 23 ? 0.1804 0.4321 0.2544 0.0170 -0.0096 -0.1191 23 GLU A N 162 C CA . GLU A 23 ? 0.2128 0.5080 0.2754 0.0187 -0.0146 -0.1258 23 GLU A CA 163 C C . GLU A 23 ? 0.2192 0.5359 0.2629 0.0242 -0.0151 -0.0994 23 GLU A C 164 O O . GLU A 23 ? 0.2390 0.5938 0.2675 0.0289 -0.0192 -0.0979 23 GLU A O 165 C CB . GLU A 23 ? 0.2072 0.5051 0.2758 0.0134 -0.0211 -0.1300 23 GLU A CB 166 C CG . GLU A 23 ? 0.2222 0.5092 0.3084 0.0036 -0.0198 -0.1604 23 GLU A CG 167 C CD . GLU A 23 ? 0.2612 0.5807 0.3448 0.0035 -0.0198 -0.1911 23 GLU A CD 168 O OE1 . GLU A 23 ? 0.2532 0.6196 0.3302 0.0040 -0.0271 -0.2009 23 GLU A OE1 169 O OE2 . GLU A 23 ? 0.2834 0.5833 0.3714 0.0043 -0.0128 -0.2068 23 GLU A OE2 170 N N . GLY A 24 ? 0.2058 0.5000 0.2492 0.0232 -0.0107 -0.0786 24 GLY A N 171 C CA . GLY A 24 ? 0.2310 0.5373 0.2569 0.0242 -0.0085 -0.0515 24 GLY A CA 172 C C . GLY A 24 ? 0.2272 0.5207 0.2437 0.0251 -0.0133 -0.0303 24 GLY A C 173 O O . GLY A 24 ? 0.2431 0.5459 0.2408 0.0279 -0.0119 -0.0084 24 GLY A O 174 N N . HIS A 25 ? 0.2186 0.4891 0.2475 0.0236 -0.0179 -0.0357 25 HIS A N 175 C CA . HIS A 25 ? 0.2016 0.4591 0.2246 0.0272 -0.0221 -0.0184 25 HIS A CA 176 C C . HIS A 25 ? 0.2125 0.4301 0.2341 0.0224 -0.0179 0.0028 25 HIS A C 177 O O . HIS A 25 ? 0.1584 0.3471 0.1910 0.0192 -0.0187 0.0017 25 HIS A O 178 C CB . HIS A 25 ? 0.2001 0.4548 0.2397 0.0261 -0.0273 -0.0355 25 HIS A CB 179 C CG . HIS A 25 ? 0.1816 0.4781 0.2247 0.0279 -0.0324 -0.0594 25 HIS A CG 180 N ND1 . HIS A 25 ? 0.1661 0.4650 0.2282 0.0210 -0.0346 -0.0820 25 HIS A ND1 181 C CD2 . HIS A 25 ? 0.2298 0.5695 0.2596 0.0340 -0.0353 -0.0659 25 HIS A CD2 182 C CE1 . HIS A 25 ? 0.1468 0.4886 0.2087 0.0216 -0.0393 -0.1034 25 HIS A CE1 183 N NE2 . HIS A 25 ? 0.1922 0.5613 0.2335 0.0309 -0.0406 -0.0940 25 HIS A NE2 184 N N . THR A 26 ? 0.2352 0.4517 0.2422 0.0205 -0.0127 0.0217 26 THR A N 185 C CA . THR A 26 ? 0.2322 0.4131 0.2398 0.0114 -0.0078 0.0368 26 THR A CA 186 C C . THR A 26 ? 0.2254 0.3719 0.2316 0.0138 -0.0102 0.0470 26 THR A C 187 O O . THR A 26 ? 0.2304 0.3498 0.2466 0.0070 -0.0095 0.0445 26 THR A O 188 C CB . THR A 26 ? 0.2557 0.4432 0.2482 0.0053 0.0001 0.0552 26 THR A CB 189 O OG1 . THR A 26 ? 0.2227 0.4495 0.2159 0.0060 0.0025 0.0437 26 THR A OG1 190 C CG2 . THR A 26 ? 0.2794 0.4406 0.2795 -0.0092 0.0053 0.0616 26 THR A CG2 191 N N . ASP A 27 ? 0.2582 0.4081 0.2516 0.0254 -0.0131 0.0575 27 ASP A N 192 C CA . ASP A 27 ? 0.2779 0.3948 0.2687 0.0310 -0.0142 0.0678 27 ASP A CA 193 C C . ASP A 27 ? 0.2556 0.3694 0.2657 0.0314 -0.0185 0.0499 27 ASP A C 194 O O . ASP A 27 ? 0.2557 0.3387 0.2690 0.0301 -0.0172 0.0527 27 ASP A O 195 C CB . ASP A 27 ? 0.2999 0.4264 0.2731 0.0489 -0.0172 0.0830 27 ASP A CB 196 C CG . ASP A 27 ? 0.4236 0.5377 0.3727 0.0489 -0.0103 0.1081 27 ASP A CG 197 O OD1 . ASP A 27 ? 0.4989 0.5848 0.4459 0.0332 -0.0021 0.1159 27 ASP A OD1 198 O OD2 . ASP A 27 ? 0.4718 0.6065 0.4033 0.0639 -0.0126 0.1205 27 ASP A OD2 199 N N . GLN A 28 ? 0.2341 0.3807 0.2560 0.0328 -0.0229 0.0309 28 GLN A N 200 C CA . GLN A 28 ? 0.1938 0.3388 0.2348 0.0295 -0.0247 0.0135 28 GLN A CA 201 C C . GLN A 28 ? 0.1898 0.3090 0.2407 0.0170 -0.0203 0.0073 28 GLN A C 202 O O . GLN A 28 ? 0.1678 0.2655 0.2262 0.0139 -0.0189 0.0053 28 GLN A O 203 C CB . GLN A 28 ? 0.2042 0.3915 0.2545 0.0317 -0.0297 -0.0064 28 GLN A CB 204 C CG A GLN A 28 ? 0.1844 0.4068 0.2258 0.0472 -0.0366 -0.0012 28 GLN A CG 205 C CG B GLN A 28 ? 0.2400 0.4575 0.2897 0.0453 -0.0365 -0.0058 28 GLN A CG 206 C CD A GLN A 28 ? 0.1644 0.3959 0.1813 0.0568 -0.0367 0.0185 28 GLN A CD 207 C CD B GLN A 28 ? 0.2946 0.4878 0.3445 0.0531 -0.0357 0.0066 28 GLN A CD 208 O OE1 A GLN A 28 ? 0.1175 0.3558 0.1271 0.0505 -0.0334 0.0178 28 GLN A OE1 209 O OE1 B GLN A 28 ? 0.3650 0.5575 0.4001 0.0688 -0.0378 0.0241 28 GLN A OE1 210 N NE2 A GLN A 28 ? 0.1677 0.4018 0.1708 0.0737 -0.0400 0.0367 28 GLN A NE2 211 N NE2 B GLN A 28 ? 0.2959 0.4681 0.3607 0.0438 -0.0318 -0.0019 28 GLN A NE2 212 N N . LEU A 29 ? 0.1883 0.3111 0.2377 0.0116 -0.0177 0.0061 29 LEU A N 213 C CA . LEU A 29 ? 0.1755 0.2771 0.2320 0.0039 -0.0145 0.0040 29 LEU A CA 214 C C . LEU A 29 ? 0.1778 0.2503 0.2278 0.0005 -0.0131 0.0182 29 LEU A C 215 O O . LEU A 29 ? 0.1813 0.2335 0.2366 -0.0031 -0.0125 0.0158 29 LEU A O 216 C CB . LEU A 29 ? 0.1908 0.3082 0.2467 0.0015 -0.0120 0.0023 29 LEU A CB 217 C CG . LEU A 29 ? 0.1595 0.2622 0.2221 -0.0034 -0.0099 0.0028 29 LEU A CG 218 C CD1 . LEU A 29 ? 0.1560 0.2797 0.2254 -0.0003 -0.0080 -0.0079 29 LEU A CD1 219 C CD2 . LEU A 29 ? 0.1785 0.2711 0.2335 -0.0111 -0.0082 0.0184 29 LEU A CD2 220 N N . LEU A 30 ? 0.1939 0.2619 0.2306 0.0015 -0.0119 0.0328 30 LEU A N 221 C CA . LEU A 30 ? 0.2041 0.2399 0.2337 -0.0038 -0.0094 0.0436 30 LEU A CA 222 C C . LEU A 30 ? 0.2095 0.2275 0.2413 0.0025 -0.0109 0.0407 30 LEU A C 223 O O . LEU A 30 ? 0.2261 0.2216 0.2587 -0.0028 -0.0095 0.0391 30 LEU A O 224 C CB . LEU A 30 ? 0.2213 0.2484 0.2345 -0.0041 -0.0056 0.0610 30 LEU A CB 225 C CG . LEU A 30 ? 0.2496 0.2933 0.2619 -0.0156 -0.0014 0.0644 30 LEU A CG 226 C CD1 . LEU A 30 ? 0.2883 0.3250 0.2822 -0.0164 0.0042 0.0836 30 LEU A CD1 227 C CD2 . LEU A 30 ? 0.2514 0.2838 0.2725 -0.0302 0.0001 0.0596 30 LEU A CD2 228 N N . GLU A 31 ? 0.1950 0.2283 0.2275 0.0143 -0.0136 0.0392 31 GLU A N 229 C CA . GLU A 31 ? 0.1989 0.2234 0.2353 0.0218 -0.0142 0.0360 31 GLU A CA 230 C C . GLU A 31 ? 0.1744 0.1953 0.2235 0.0138 -0.0129 0.0234 31 GLU A C 231 O O . GLU A 31 ? 0.1831 0.1827 0.2309 0.0127 -0.0104 0.0233 31 GLU A O 232 C CB . GLU A 31 ? 0.2215 0.2760 0.2604 0.0357 -0.0185 0.0341 31 GLU A CB 233 C CG . GLU A 31 ? 0.3417 0.3846 0.3628 0.0488 -0.0185 0.0522 31 GLU A CG 234 C CD . GLU A 31 ? 0.5312 0.5960 0.5528 0.0690 -0.0229 0.0537 31 GLU A CD 235 O OE1 . GLU A 31 ? 0.5803 0.6701 0.5923 0.0800 -0.0269 0.0617 31 GLU A OE1 236 O OE2 . GLU A 31 ? 0.5493 0.6109 0.5804 0.0751 -0.0225 0.0472 31 GLU A OE2 237 N N . HIS A 32 ? 0.1560 0.1951 0.2155 0.0087 -0.0136 0.0129 32 HIS A N 238 C CA . HIS A 32 ? 0.1437 0.1742 0.2126 0.0016 -0.0108 0.0041 32 HIS A CA 239 C C . HIS A 32 ? 0.1576 0.1676 0.2216 -0.0045 -0.0093 0.0084 32 HIS A C 240 O O . HIS A 32 ? 0.1608 0.1571 0.2252 -0.0068 -0.0067 0.0071 32 HIS A O 241 C CB . HIS A 32 ? 0.1444 0.1939 0.2252 -0.0015 -0.0106 -0.0092 32 HIS A CB 242 C CG . HIS A 32 ? 0.1405 0.2145 0.2304 0.0012 -0.0120 -0.0182 32 HIS A CG 243 N ND1 . HIS A 32 ? 0.1554 0.2293 0.2550 -0.0022 -0.0085 -0.0241 32 HIS A ND1 244 C CD2 . HIS A 32 ? 0.1239 0.2293 0.2145 0.0072 -0.0168 -0.0225 32 HIS A CD2 245 C CE1 . HIS A 32 ? 0.1836 0.2902 0.2928 0.0007 -0.0112 -0.0332 32 HIS A CE1 246 N NE2 . HIS A 32 ? 0.1690 0.2953 0.2719 0.0075 -0.0172 -0.0322 32 HIS A NE2 247 N N . ALA A 33 ? 0.1494 0.1614 0.2086 -0.0071 -0.0106 0.0135 33 ALA A N 248 C CA . ALA A 33 ? 0.1752 0.1767 0.2311 -0.0129 -0.0106 0.0167 33 ALA A CA 249 C C . ALA A 33 ? 0.1664 0.1466 0.2133 -0.0153 -0.0098 0.0208 33 ALA A C 250 O O . ALA A 33 ? 0.1784 0.1496 0.2228 -0.0185 -0.0098 0.0192 33 ALA A O 251 C CB . ALA A 33 ? 0.1639 0.1787 0.2182 -0.0170 -0.0112 0.0210 33 ALA A CB 252 N N . LYS A 34 ? 0.1914 0.1632 0.2317 -0.0121 -0.0089 0.0259 34 LYS A N 253 C CA . LYS A 34 ? 0.1855 0.1323 0.2167 -0.0133 -0.0070 0.0273 34 LYS A CA 254 C C . LYS A 34 ? 0.2024 0.1455 0.2359 -0.0080 -0.0053 0.0207 34 LYS A C 255 O O . LYS A 34 ? 0.2247 0.1533 0.2515 -0.0115 -0.0040 0.0177 34 LYS A O 256 C CB . LYS A 34 ? 0.2140 0.1458 0.2360 -0.0082 -0.0052 0.0355 34 LYS A CB 257 C CG . LYS A 34 ? 0.1933 0.1220 0.2095 -0.0188 -0.0038 0.0438 34 LYS A CG 258 C CD . LYS A 34 ? 0.2909 0.1997 0.2943 -0.0117 -0.0004 0.0567 34 LYS A CD 259 C CE . LYS A 34 ? 0.3339 0.2437 0.3313 -0.0230 0.0031 0.0670 34 LYS A CE 260 N NZ . LYS A 34 ? 0.3914 0.2790 0.3730 -0.0140 0.0074 0.0833 34 LYS A NZ 261 N N . GLU A 35 ? 0.1991 0.1586 0.2420 -0.0013 -0.0048 0.0173 35 GLU A N 262 C CA . GLU A 35 ? 0.1993 0.1612 0.2470 0.0008 -0.0013 0.0112 35 GLU A CA 263 C C . GLU A 35 ? 0.1948 0.1532 0.2419 -0.0070 0.0002 0.0096 35 GLU A C 264 O O . GLU A 35 ? 0.2057 0.1560 0.2470 -0.0079 0.0036 0.0082 35 GLU A O 265 C CB . GLU A 35 ? 0.1968 0.1830 0.2579 0.0062 -0.0007 0.0060 35 GLU A CB 266 C CG A GLU A 35 ? 0.2264 0.2208 0.2862 0.0192 -0.0032 0.0093 35 GLU A CG 267 C CG B GLU A 35 ? 0.2581 0.2451 0.3184 0.0171 0.0015 0.0051 35 GLU A CG 268 C CD A GLU A 35 ? 0.2188 0.2482 0.2934 0.0249 -0.0045 0.0021 35 GLU A CD 269 C CD B GLU A 35 ? 0.2660 0.2829 0.3420 0.0209 0.0034 -0.0028 35 GLU A CD 270 O OE1 A GLU A 35 ? 0.2916 0.3410 0.3717 0.0223 -0.0082 -0.0008 35 GLU A OE1 271 O OE1 B GLU A 35 ? 0.2026 0.2438 0.2888 0.0198 -0.0001 -0.0066 35 GLU A OE1 272 O OE2 A GLU A 35 ? 0.2702 0.3110 0.3512 0.0324 -0.0020 -0.0020 35 GLU A OE2 273 O OE2 B GLU A 35 ? 0.2698 0.2895 0.3482 0.0246 0.0086 -0.0068 35 GLU A OE2 274 N N . SER A 36 ? 0.1577 0.1233 0.2099 -0.0103 -0.0019 0.0102 36 SER A N 275 C CA . SER A 36 ? 0.1760 0.1363 0.2258 -0.0133 -0.0010 0.0115 36 SER A CA 276 C C . SER A 36 ? 0.1631 0.1151 0.2004 -0.0154 -0.0032 0.0144 36 SER A C 277 O O . SER A 36 ? 0.1929 0.1397 0.2225 -0.0154 -0.0013 0.0159 36 SER A O 278 C CB . SER A 36 ? 0.1809 0.1497 0.2371 -0.0127 -0.0036 0.0112 36 SER A CB 279 O OG . SER A 36 ? 0.1961 0.1574 0.2497 -0.0112 -0.0022 0.0139 36 SER A OG 280 N N . LEU A 37 ? 0.1698 0.1213 0.2037 -0.0185 -0.0068 0.0151 37 LEU A N 281 C CA . LEU A 37 ? 0.1816 0.1284 0.2053 -0.0244 -0.0095 0.0141 37 LEU A CA 282 C C . LEU A 37 ? 0.2003 0.1329 0.2132 -0.0241 -0.0065 0.0097 37 LEU A C 283 O O . LEU A 37 ? 0.2057 0.1394 0.2084 -0.0266 -0.0077 0.0068 37 LEU A O 284 C CB . LEU A 37 ? 0.2014 0.1491 0.2262 -0.0314 -0.0116 0.0153 37 LEU A CB 285 C CG . LEU A 37 ? 0.2236 0.1676 0.2404 -0.0424 -0.0139 0.0108 37 LEU A CG 286 C CD1 . LEU A 37 ? 0.2368 0.2052 0.2552 -0.0431 -0.0195 0.0095 37 LEU A CD1 287 C CD2 . LEU A 37 ? 0.2714 0.2091 0.2889 -0.0528 -0.0126 0.0127 37 LEU A CD2 288 N N . THR A 38 ? 0.2184 0.1419 0.2329 -0.0188 -0.0025 0.0084 38 THR A N 289 C CA . THR A 38 ? 0.2387 0.1511 0.2442 -0.0155 0.0019 0.0025 38 THR A CA 290 C C . THR A 38 ? 0.2391 0.1609 0.2415 -0.0145 0.0053 0.0023 38 THR A C 291 O O . THR A 38 ? 0.2585 0.1776 0.2474 -0.0159 0.0066 -0.0022 38 THR A O 292 C CB . THR A 38 ? 0.2397 0.1477 0.2505 -0.0056 0.0055 0.0020 38 THR A CB 293 O OG1 . THR A 38 ? 0.2436 0.1379 0.2526 -0.0056 0.0032 0.0059 38 THR A OG1 294 C CG2 . THR A 38 ? 0.2626 0.1602 0.2646 0.0005 0.0110 -0.0061 38 THR A CG2 295 N N . HIS A 39 ? 0.2172 0.1494 0.2305 -0.0131 0.0075 0.0068 39 HIS A N 296 C CA . HIS A 39 ? 0.2237 0.1594 0.2331 -0.0137 0.0132 0.0098 39 HIS A CA 297 C C . HIS A 39 ? 0.2308 0.1664 0.2282 -0.0150 0.0091 0.0154 39 HIS A C 298 O O . HIS A 39 ? 0.2606 0.1965 0.2445 -0.0143 0.0125 0.0177 39 HIS A O 299 C CB . HIS A 39 ? 0.2162 0.1579 0.2407 -0.0149 0.0178 0.0118 39 HIS A CB 300 C CG . HIS A 39 ? 0.1826 0.1348 0.2181 -0.0134 0.0234 0.0056 39 HIS A CG 301 N ND1 . HIS A 39 ? 0.1853 0.1427 0.2177 -0.0139 0.0323 0.0036 39 HIS A ND1 302 C CD2 . HIS A 39 ? 0.1764 0.1403 0.2256 -0.0098 0.0212 0.0010 39 HIS A CD2 303 C CE1 . HIS A 39 ? 0.2253 0.1995 0.2722 -0.0108 0.0353 -0.0032 39 HIS A CE1 304 N NE2 . HIS A 39 ? 0.1619 0.1405 0.2186 -0.0075 0.0279 -0.0045 39 HIS A NE2 305 N N . ALA A 40 ? 0.2266 0.1661 0.2287 -0.0154 0.0021 0.0179 40 ALA A N 306 C CA . ALA A 40 ? 0.2363 0.1830 0.2292 -0.0135 -0.0033 0.0230 40 ALA A CA 307 C C . ALA A 40 ? 0.2466 0.1986 0.2240 -0.0169 -0.0071 0.0169 40 ALA A C 308 O O . ALA A 40 ? 0.2428 0.2031 0.2054 -0.0133 -0.0087 0.0209 40 ALA A O 309 C CB . ALA A 40 ? 0.2206 0.1778 0.2247 -0.0124 -0.0099 0.0245 40 ALA A CB 310 N N . LYS A 41 ? 0.2524 0.1988 0.2312 -0.0233 -0.0084 0.0073 41 LYS A N 311 C CA . LYS A 41 ? 0.2687 0.2158 0.2327 -0.0287 -0.0108 -0.0029 41 LYS A CA 312 C C . LYS A 41 ? 0.2882 0.2318 0.2377 -0.0240 -0.0039 -0.0053 41 LYS A C 313 O O . LYS A 41 ? 0.2849 0.2383 0.2169 -0.0252 -0.0063 -0.0108 41 LYS A O 314 C CB . LYS A 41 ? 0.2828 0.2137 0.2502 -0.0369 -0.0107 -0.0128 41 LYS A CB 315 C CG . LYS A 41 ? 0.2736 0.2117 0.2517 -0.0458 -0.0163 -0.0115 41 LYS A CG 316 C CD . LYS A 41 ? 0.3143 0.2275 0.2929 -0.0543 -0.0132 -0.0175 41 LYS A CD 317 C CE A LYS A 41 ? 0.3918 0.3133 0.3812 -0.0651 -0.0160 -0.0138 41 LYS A CE 318 C CE B LYS A 41 ? 0.3274 0.2491 0.3156 -0.0663 -0.0163 -0.0152 41 LYS A CE 319 N NZ A LYS A 41 ? 0.4152 0.3648 0.4061 -0.0770 -0.0229 -0.0201 41 LYS A NZ 320 N NZ B LYS A 41 ? 0.2310 0.1212 0.2177 -0.0735 -0.0107 -0.0160 41 LYS A NZ 321 N N . ALA A 42 ? 0.2709 0.2053 0.2273 -0.0192 0.0047 -0.0029 42 ALA A N 322 C CA . ALA A 42 ? 0.2972 0.2333 0.2424 -0.0153 0.0135 -0.0049 42 ALA A CA 323 C C . ALA A 42 ? 0.3243 0.2710 0.2575 -0.0130 0.0159 0.0078 42 ALA A C 324 O O . ALA A 42 ? 0.3333 0.2866 0.2482 -0.0113 0.0210 0.0072 42 ALA A O 325 C CB . ALA A 42 ? 0.2734 0.2057 0.2338 -0.0116 0.0215 -0.0053 42 ALA A CB 326 N N . ALA A 43 ? 0.3336 0.2803 0.2747 -0.0117 0.0124 0.0194 43 ALA A N 327 C CA . ALA A 43 ? 0.3805 0.3294 0.3090 -0.0066 0.0150 0.0346 43 ALA A CA 328 C C . ALA A 43 ? 0.4263 0.3917 0.3356 -0.0025 0.0051 0.0356 43 ALA A C 329 O O . ALA A 43 ? 0.4686 0.4396 0.3576 0.0039 0.0075 0.0471 43 ALA A O 330 C CB . ALA A 43 ? 0.3498 0.2894 0.2930 -0.0042 0.0149 0.0443 43 ALA A CB 331 N N . SER A 44 ? 0.4471 0.4230 0.3627 -0.0067 -0.0058 0.0245 44 SER A N 332 C CA . SER A 44 ? 0.4918 0.4921 0.3921 -0.0052 -0.0164 0.0213 44 SER A CA 333 C C . SER A 44 ? 0.5195 0.5265 0.3947 -0.0047 -0.0122 0.0164 44 SER A C 334 O O . SER A 44 ? 0.5433 0.5731 0.4036 -0.0061 -0.0207 0.0074 44 SER A O 335 C CB . SER A 44 ? 0.5007 0.5112 0.4110 -0.0163 -0.0256 0.0046 44 SER A CB 336 O OG . SER A 44 ? 0.5173 0.5213 0.4500 -0.0183 -0.0267 0.0077 44 SER A OG 337 N N . THR A 50 ? 0.4621 0.5647 0.3482 0.0907 -0.0597 0.0975 50 THR A N 338 C CA . THR A 50 ? 0.4415 0.5765 0.3545 0.0891 -0.0695 0.0850 50 THR A CA 339 C C . THR A 50 ? 0.4179 0.5209 0.3545 0.0866 -0.0607 0.0842 50 THR A C 340 O O . THR A 50 ? 0.4029 0.5233 0.3624 0.0750 -0.0639 0.0698 50 THR A O 341 C CB . THR A 50 ? 0.4652 0.6462 0.3752 0.1147 -0.0830 0.0940 50 THR A CB 342 O OG1 . THR A 50 ? 0.5140 0.6624 0.4141 0.1416 -0.0765 0.1181 50 THR A OG1 343 C CG2 . THR A 50 ? 0.4511 0.6756 0.3375 0.1172 -0.0944 0.0921 50 THR A CG2 344 N N . HIS A 51 ? 0.4326 0.4897 0.3630 0.0960 -0.0488 0.0990 51 HIS A N 345 C CA . HIS A 51 ? 0.4272 0.4517 0.3773 0.0924 -0.0395 0.0960 51 HIS A CA 346 C C . HIS A 51 ? 0.3941 0.4151 0.3576 0.0663 -0.0363 0.0784 51 HIS A C 347 O O . HIS A 51 ? 0.3721 0.3976 0.3564 0.0595 -0.0365 0.0680 51 HIS A O 348 C CB . HIS A 51 ? 0.4679 0.4398 0.4063 0.0988 -0.0251 0.1116 51 HIS A CB 349 C CG . HIS A 51 ? 0.5707 0.5359 0.4798 0.1165 -0.0243 0.1332 51 HIS A CG 350 N ND1 . HIS A 51 ? 0.6784 0.6447 0.5792 0.1450 -0.0283 0.1497 51 HIS A ND1 351 C CD2 . HIS A 51 ? 0.6213 0.5825 0.5057 0.1116 -0.0201 0.1418 51 HIS A CD2 352 C CE1 . HIS A 51 ? 0.6714 0.6325 0.5418 0.1572 -0.0268 0.1698 51 HIS A CE1 353 N NE2 . HIS A 51 ? 0.6763 0.6355 0.5359 0.1361 -0.0216 0.1648 51 HIS A NE2 354 N N . VAL A 52 ? 0.3770 0.3905 0.3267 0.0538 -0.0329 0.0759 52 VAL A N 355 C CA . VAL A 52 ? 0.3497 0.3549 0.3094 0.0336 -0.0289 0.0614 52 VAL A CA 356 C C . VAL A 52 ? 0.3229 0.3587 0.2952 0.0235 -0.0385 0.0473 52 VAL A C 357 O O . VAL A 52 ? 0.2958 0.3253 0.2835 0.0129 -0.0360 0.0391 52 VAL A O 358 C CB . VAL A 52 ? 0.3507 0.3436 0.2934 0.0250 -0.0225 0.0600 52 VAL A CB 359 C CG1 . VAL A 52 ? 0.3191 0.3045 0.2736 0.0085 -0.0194 0.0448 52 VAL A CG1 360 C CG2 . VAL A 52 ? 0.3764 0.3384 0.3110 0.0303 -0.0098 0.0741 52 VAL A CG2 361 N N . GLY A 53 ? 0.3122 0.3827 0.2773 0.0265 -0.0489 0.0450 53 GLY A N 362 C CA . GLY A 53 ? 0.2912 0.3933 0.2693 0.0126 -0.0568 0.0302 53 GLY A CA 363 C C . GLY A 53 ? 0.2682 0.3836 0.2690 0.0154 -0.0578 0.0300 53 GLY A C 364 O O . GLY A 53 ? 0.2269 0.3485 0.2411 -0.0006 -0.0572 0.0200 53 GLY A O 365 N N . HIS A 54 ? 0.2593 0.3786 0.2629 0.0369 -0.0585 0.0413 54 HIS A N 366 C CA . HIS A 54 ? 0.2513 0.3798 0.2760 0.0419 -0.0571 0.0397 54 HIS A CA 367 C C . HIS A 54 ? 0.2377 0.3324 0.2702 0.0316 -0.0472 0.0364 54 HIS A C 368 O O . HIS A 54 ? 0.2305 0.3391 0.2784 0.0221 -0.0464 0.0289 54 HIS A O 369 C CB . HIS A 54 ? 0.2583 0.3923 0.2832 0.0704 -0.0589 0.0512 54 HIS A CB 370 C CG . HIS A 54 ? 0.2696 0.4538 0.2934 0.0834 -0.0711 0.0527 54 HIS A CG 371 N ND1 . HIS A 54 ? 0.2904 0.4761 0.2949 0.1057 -0.0756 0.0671 54 HIS A ND1 372 C CD2 . HIS A 54 ? 0.2728 0.5126 0.3129 0.0773 -0.0798 0.0418 54 HIS A CD2 373 C CE1 . HIS A 54 ? 0.2872 0.5309 0.2962 0.1147 -0.0883 0.0642 54 HIS A CE1 374 N NE2 . HIS A 54 ? 0.3151 0.5940 0.3476 0.0963 -0.0909 0.0476 54 HIS A NE2 375 N N . GLY A 55 ? 0.2435 0.2985 0.2655 0.0324 -0.0395 0.0418 55 GLY A N 376 C CA . GLY A 55 ? 0.2328 0.2619 0.2621 0.0226 -0.0313 0.0374 55 GLY A CA 377 C C . GLY A 55 ? 0.2261 0.2617 0.2591 0.0039 -0.0321 0.0284 55 GLY A C 378 O O . GLY A 55 ? 0.2111 0.2468 0.2548 -0.0017 -0.0294 0.0244 55 GLY A O 379 N N . ILE A 56 ? 0.2169 0.2546 0.2390 -0.0049 -0.0348 0.0253 56 ILE A N 380 C CA . ILE A 56 ? 0.2276 0.2629 0.2508 -0.0223 -0.0344 0.0168 56 ILE A CA 381 C C . ILE A 56 ? 0.2163 0.2773 0.2533 -0.0314 -0.0373 0.0126 56 ILE A C 382 O O . ILE A 56 ? 0.1939 0.2451 0.2358 -0.0414 -0.0329 0.0111 56 ILE A O 383 C CB . ILE A 56 ? 0.2225 0.2584 0.2308 -0.0294 -0.0375 0.0108 56 ILE A CB 384 C CG1 . ILE A 56 ? 0.2105 0.2199 0.2053 -0.0237 -0.0313 0.0140 56 ILE A CG1 385 C CG2 . ILE A 56 ? 0.2820 0.3154 0.2926 -0.0487 -0.0373 0.0002 56 ILE A CG2 386 C CD1 . ILE A 56 ? 0.2783 0.2908 0.2544 -0.0276 -0.0336 0.0071 56 ILE A CD1 387 N N . LYS A 57 ? 0.2306 0.3273 0.2735 -0.0266 -0.0441 0.0120 57 LYS A N 388 C CA . LYS A 57 ? 0.2295 0.3612 0.2878 -0.0362 -0.0463 0.0071 57 LYS A CA 389 C C . LYS A 57 ? 0.1912 0.3196 0.2603 -0.0312 -0.0403 0.0107 57 LYS A C 390 O O . LYS A 57 ? 0.1908 0.3241 0.2665 -0.0453 -0.0360 0.0089 57 LYS A O 391 C CB . LYS A 57 ? 0.2313 0.4109 0.2962 -0.0271 -0.0555 0.0053 57 LYS A CB 392 C CG . LYS A 57 ? 0.3346 0.5365 0.3936 -0.0420 -0.0628 -0.0046 57 LYS A CG 393 C CD . LYS A 57 ? 0.3400 0.5852 0.3955 -0.0266 -0.0745 -0.0045 57 LYS A CD 394 C CE . LYS A 57 ? 0.3730 0.6435 0.4238 -0.0474 -0.0814 -0.0196 57 LYS A CE 395 N NZ . LYS A 57 ? 0.4460 0.7724 0.4935 -0.0367 -0.0952 -0.0234 57 LYS A NZ 396 N N . HIS A 58 ? 0.1657 0.2832 0.2348 -0.0120 -0.0388 0.0158 58 HIS A N 397 C CA . HIS A 58 ? 0.1613 0.2773 0.2395 -0.0068 -0.0334 0.0156 58 HIS A CA 398 C C . HIS A 58 ? 0.1631 0.2517 0.2366 -0.0171 -0.0273 0.0159 58 HIS A C 399 O O . HIS A 58 ? 0.1727 0.2707 0.2519 -0.0208 -0.0237 0.0150 58 HIS A O 400 C CB . HIS A 58 ? 0.1219 0.2258 0.2008 0.0147 -0.0319 0.0181 58 HIS A CB 401 C CG . HIS A 58 ? 0.1445 0.2793 0.2312 0.0314 -0.0365 0.0186 58 HIS A CG 402 N ND1 . HIS A 58 ? 0.1618 0.3334 0.2636 0.0345 -0.0363 0.0132 58 HIS A ND1 403 C CD2 . HIS A 58 ? 0.1751 0.3140 0.2561 0.0475 -0.0416 0.0246 58 HIS A CD2 404 C CE1 . HIS A 58 ? 0.2078 0.4055 0.3151 0.0535 -0.0414 0.0146 58 HIS A CE1 405 N NE2 . HIS A 58 ? 0.2046 0.3823 0.2984 0.0623 -0.0453 0.0226 58 HIS A NE2 406 N N . LEU A 59 ? 0.1632 0.2214 0.2259 -0.0189 -0.0260 0.0176 59 LEU A N 407 C CA . LEU A 59 ? 0.1864 0.2232 0.2451 -0.0255 -0.0214 0.0181 59 LEU A CA 408 C C . LEU A 59 ? 0.1824 0.2226 0.2395 -0.0405 -0.0202 0.0188 59 LEU A C 409 O O . LEU A 59 ? 0.1980 0.2336 0.2545 -0.0430 -0.0164 0.0219 59 LEU A O 410 C CB . LEU A 59 ? 0.1821 0.1921 0.2310 -0.0242 -0.0200 0.0186 59 LEU A CB 411 C CG . LEU A 59 ? 0.1780 0.1777 0.2282 -0.0131 -0.0174 0.0192 59 LEU A CG 412 C CD1 . LEU A 59 ? 0.1940 0.1746 0.2339 -0.0137 -0.0150 0.0204 59 LEU A CD1 413 C CD2 . LEU A 59 ? 0.1581 0.1570 0.2166 -0.0100 -0.0138 0.0159 59 LEU A CD2 414 N N . GLU A 60 ? 0.1932 0.2411 0.2486 -0.0509 -0.0231 0.0160 60 GLU A N 415 C CA . GLU A 60 ? 0.2184 0.2633 0.2722 -0.0695 -0.0201 0.0157 60 GLU A CA 416 C C . GLU A 60 ? 0.2213 0.2952 0.2859 -0.0740 -0.0172 0.0186 60 GLU A C 417 O O . GLU A 60 ? 0.2273 0.2919 0.2885 -0.0835 -0.0109 0.0244 60 GLU A O 418 C CB . GLU A 60 ? 0.2399 0.2934 0.2920 -0.0820 -0.0244 0.0076 60 GLU A CB 419 C CG . GLU A 60 ? 0.2656 0.2872 0.3031 -0.0808 -0.0249 0.0034 60 GLU A CG 420 C CD . GLU A 60 ? 0.3458 0.3811 0.3789 -0.0913 -0.0307 -0.0080 60 GLU A CD 421 O OE1 . GLU A 60 ? 0.4620 0.4729 0.4819 -0.0922 -0.0300 -0.0139 60 GLU A OE1 422 O OE2 . GLU A 60 ? 0.4089 0.4836 0.4517 -0.0975 -0.0361 -0.0125 60 GLU A OE2 423 N N . ASP A 61 ? 0.1938 0.3031 0.2700 -0.0655 -0.0209 0.0155 61 ASP A N 424 C CA . ASP A 61 ? 0.2094 0.3524 0.2969 -0.0661 -0.0176 0.0162 61 ASP A CA 425 C C . ASP A 61 ? 0.1801 0.3119 0.2636 -0.0568 -0.0127 0.0205 61 ASP A C 426 O O . ASP A 61 ? 0.2041 0.3505 0.2886 -0.0641 -0.0069 0.0243 61 ASP A O 427 C CB . ASP A 61 ? 0.1911 0.3738 0.2921 -0.0521 -0.0229 0.0109 61 ASP A CB 428 C CG . ASP A 61 ? 0.2630 0.4780 0.3719 -0.0631 -0.0282 0.0056 61 ASP A CG 429 O OD1 . ASP A 61 ? 0.2954 0.5035 0.4013 -0.0865 -0.0259 0.0040 61 ASP A OD1 430 O OD2 . ASP A 61 ? 0.2780 0.5246 0.3956 -0.0479 -0.0347 0.0023 61 ASP A OD2 431 N N . ALA A 62 ? 0.1818 0.2918 0.2608 -0.0420 -0.0145 0.0195 62 ALA A N 432 C CA . ALA A 62 ? 0.1828 0.2870 0.2587 -0.0343 -0.0111 0.0202 62 ALA A CA 433 C C . ALA A 62 ? 0.1993 0.2861 0.2637 -0.0442 -0.0071 0.0289 62 ALA A C 434 O O . ALA A 62 ? 0.2020 0.3002 0.2627 -0.0440 -0.0031 0.0330 62 ALA A O 435 C CB . ALA A 62 ? 0.1578 0.2398 0.2324 -0.0214 -0.0131 0.0158 62 ALA A CB 436 N N . ILE A 63 ? 0.1992 0.2580 0.2560 -0.0512 -0.0076 0.0321 63 ILE A N 437 C CA . ILE A 63 ? 0.2191 0.2537 0.2632 -0.0567 -0.0031 0.0418 63 ILE A CA 438 C C . ILE A 63 ? 0.2394 0.2848 0.2817 -0.0721 0.0032 0.0492 63 ILE A C 439 O O . ILE A 63 ? 0.2456 0.2886 0.2783 -0.0716 0.0084 0.0599 63 ILE A O 440 C CB . ILE A 63 ? 0.2245 0.2234 0.2608 -0.0595 -0.0039 0.0411 63 ILE A CB 441 C CG1 . ILE A 63 ? 0.2077 0.1990 0.2451 -0.0444 -0.0076 0.0358 63 ILE A CG1 442 C CG2 . ILE A 63 ? 0.2592 0.2281 0.2818 -0.0644 0.0019 0.0518 63 ILE A CG2 443 C CD1 . ILE A 63 ? 0.2120 0.1819 0.2453 -0.0456 -0.0091 0.0306 63 ILE A CD1 444 N N . LYS A 64 ? 0.2356 0.2979 0.2871 -0.0860 0.0030 0.0440 64 LYS A N 445 C CA . LYS A 64 ? 0.2607 0.3370 0.3131 -0.1056 0.0109 0.0502 64 LYS A CA 446 C C . LYS A 64 ? 0.2586 0.3692 0.3131 -0.0996 0.0154 0.0550 64 LYS A C 447 O O . LYS A 64 ? 0.2850 0.3918 0.3291 -0.1078 0.0239 0.0675 64 LYS A O 448 C CB . LYS A 64 ? 0.2630 0.3659 0.3299 -0.1212 0.0085 0.0398 64 LYS A CB 449 C CG . LYS A 64 ? 0.3216 0.4518 0.3955 -0.1446 0.0176 0.0434 64 LYS A CG 450 C CD . LYS A 64 ? 0.4384 0.5201 0.4954 -0.1636 0.0278 0.0553 64 LYS A CD 451 C CE . LYS A 64 ? 0.4806 0.5784 0.5426 -0.1950 0.0404 0.0603 64 LYS A CE 452 N NZ . LYS A 64 ? 0.5726 0.6687 0.6444 -0.2218 0.0398 0.0465 64 LYS A NZ 453 N N . HIS A 65 ? 0.2226 0.3653 0.2888 -0.0847 0.0105 0.0452 65 HIS A N 454 C CA . HIS A 65 ? 0.2348 0.4116 0.3031 -0.0777 0.0146 0.0454 65 HIS A CA 455 C C . HIS A 65 ? 0.2428 0.4056 0.2950 -0.0670 0.0164 0.0526 65 HIS A C 456 O O . HIS A 65 ? 0.2314 0.4144 0.2757 -0.0690 0.0233 0.0601 65 HIS A O 457 C CB . HIS A 65 ? 0.2294 0.4374 0.3135 -0.0620 0.0095 0.0311 65 HIS A CB 458 C CG . HIS A 65 ? 0.2464 0.4894 0.3473 -0.0700 0.0089 0.0255 65 HIS A CG 459 N ND1 . HIS A 65 ? 0.2963 0.5827 0.4058 -0.0804 0.0164 0.0262 65 HIS A ND1 460 C CD2 . HIS A 65 ? 0.2509 0.4978 0.3618 -0.0685 0.0016 0.0189 65 HIS A CD2 461 C CE1 . HIS A 65 ? 0.2514 0.5702 0.3784 -0.0853 0.0132 0.0189 65 HIS A CE1 462 N NE2 . HIS A 65 ? 0.2139 0.5096 0.3410 -0.0772 0.0034 0.0147 65 HIS A NE2 463 N N . GLY A 66 ? 0.2333 0.3679 0.2809 -0.0550 0.0101 0.0498 66 GLY A N 464 C CA . GLY A 66 ? 0.2615 0.3850 0.2945 -0.0453 0.0101 0.0567 66 GLY A CA 465 C C . GLY A 66 ? 0.3135 0.4171 0.3283 -0.0540 0.0171 0.0764 66 GLY A C 466 O O . GLY A 66 ? 0.3223 0.4384 0.3230 -0.0482 0.0207 0.0866 66 GLY A O 467 N N . GLU A 67 ? 0.3163 0.3869 0.3292 -0.0668 0.0193 0.0820 67 GLU A N 468 C CA . GLU A 67 ? 0.3860 0.4278 0.3811 -0.0761 0.0279 0.1010 67 GLU A CA 469 C C . GLU A 67 ? 0.4028 0.4724 0.3947 -0.0907 0.0383 0.1108 67 GLU A C 470 O O . GLU A 67 ? 0.4473 0.5027 0.4196 -0.0927 0.0466 0.1303 67 GLU A O 471 C CB . GLU A 67 ? 0.4090 0.4069 0.4035 -0.0884 0.0289 0.1004 67 GLU A CB 472 C CG . GLU A 67 ? 0.4377 0.4156 0.4344 -0.0719 0.0199 0.0908 67 GLU A CG 473 C CD . GLU A 67 ? 0.5940 0.5200 0.5792 -0.0736 0.0226 0.0959 67 GLU A CD 474 O OE1 . GLU A 67 ? 0.6398 0.5439 0.6238 -0.0945 0.0287 0.0959 67 GLU A OE1 475 O OE2 . GLU A 67 ? 0.5974 0.5065 0.5755 -0.0541 0.0190 0.0982 67 GLU A OE2 476 N N . GLU A 68 ? 0.3773 0.4882 0.3878 -0.0990 0.0384 0.0981 68 GLU A N 477 C CA . GLU A 68 ? 0.3915 0.5447 0.4047 -0.1104 0.0480 0.1023 68 GLU A CA 478 C C . GLU A 68 ? 0.3755 0.5692 0.3827 -0.0943 0.0489 0.1015 68 GLU A C 479 O O . GLU A 68 ? 0.3892 0.6206 0.3966 -0.1029 0.0584 0.1052 68 GLU A O 480 C CB . GLU A 68 ? 0.3612 0.5492 0.3996 -0.1234 0.0473 0.0870 68 GLU A CB 481 C CG . GLU A 68 ? 0.4189 0.5782 0.4614 -0.1475 0.0498 0.0881 68 GLU A CG 482 C CD . GLU A 68 ? 0.4431 0.6461 0.5108 -0.1630 0.0489 0.0735 68 GLU A CD 483 O OE1 . GLU A 68 ? 0.5522 0.7385 0.6239 -0.1870 0.0517 0.0719 68 GLU A OE1 484 O OE2 . GLU A 68 ? 0.5017 0.7567 0.5853 -0.1513 0.0458 0.0629 68 GLU A OE2 485 N N . GLY A 69 ? 0.3531 0.5434 0.3556 -0.0727 0.0400 0.0947 69 GLY A N 486 C CA . GLY A 69 ? 0.3620 0.5882 0.3555 -0.0582 0.0404 0.0919 69 GLY A CA 487 C C . GLY A 69 ? 0.3417 0.6085 0.3547 -0.0499 0.0371 0.0683 69 GLY A C 488 O O . GLY A 69 ? 0.3503 0.6540 0.3582 -0.0408 0.0395 0.0617 69 GLY A O 489 N N . HIS A 70 ? 0.3029 0.5628 0.3366 -0.0514 0.0319 0.0556 70 HIS A N 490 C CA . HIS A 70 ? 0.2634 0.5545 0.3153 -0.0405 0.0292 0.0351 70 HIS A CA 491 C C . HIS A 70 ? 0.2303 0.4944 0.2877 -0.0270 0.0194 0.0227 70 HIS A C 492 O O . HIS A 70 ? 0.1949 0.4434 0.2644 -0.0269 0.0148 0.0180 70 HIS A O 493 C CB . HIS A 70 ? 0.2571 0.5701 0.3278 -0.0507 0.0320 0.0321 70 HIS A CB 494 C CG . HIS A 70 ? 0.2659 0.6144 0.3344 -0.0663 0.0439 0.0419 70 HIS A CG 495 N ND1 . HIS A 70 ? 0.2945 0.6373 0.3654 -0.0904 0.0498 0.0540 70 HIS A ND1 496 C CD2 . HIS A 70 ? 0.2371 0.6258 0.2991 -0.0634 0.0525 0.0417 70 HIS A CD2 497 C CE1 . HIS A 70 ? 0.3004 0.6783 0.3679 -0.1031 0.0625 0.0623 70 HIS A CE1 498 N NE2 . HIS A 70 ? 0.3515 0.7595 0.4127 -0.0861 0.0644 0.0558 70 HIS A NE2 499 N N . VAL A 71 ? 0.2130 0.4761 0.2608 -0.0161 0.0167 0.0169 71 VAL A N 500 C CA . VAL A 71 ? 0.2139 0.4521 0.2667 -0.0066 0.0090 0.0050 71 VAL A CA 501 C C . VAL A 71 ? 0.2071 0.4508 0.2764 0.0034 0.0077 -0.0146 71 VAL A C 502 O O . VAL A 71 ? 0.2101 0.4261 0.2859 0.0073 0.0033 -0.0207 71 VAL A O 503 C CB . VAL A 71 ? 0.2289 0.4726 0.2685 0.0003 0.0063 0.0021 71 VAL A CB 504 C CG1 . VAL A 71 ? 0.2498 0.5331 0.2870 0.0077 0.0093 -0.0129 71 VAL A CG1 505 C CG2 . VAL A 71 ? 0.2008 0.4160 0.2462 0.0047 -0.0009 -0.0067 71 VAL A CG2 506 N N . GLY A 72 ? 0.2053 0.4837 0.2799 0.0088 0.0126 -0.0239 72 GLY A N 507 C CA . GLY A 72 ? 0.2030 0.4824 0.2928 0.0218 0.0121 -0.0407 72 GLY A CA 508 C C . GLY A 72 ? 0.2228 0.4858 0.3231 0.0195 0.0089 -0.0320 72 GLY A C 509 O O . GLY A 72 ? 0.1848 0.4212 0.2922 0.0294 0.0052 -0.0383 72 GLY A O 510 N N . VAL A 73 ? 0.1654 0.4444 0.2656 0.0059 0.0108 -0.0179 73 VAL A N 511 C CA . VAL A 73 ? 0.1750 0.4510 0.2861 0.0029 0.0071 -0.0131 73 VAL A CA 512 C C . VAL A 73 ? 0.1586 0.3882 0.2628 -0.0018 0.0011 -0.0063 73 VAL A C 513 O O . VAL A 73 ? 0.1508 0.3657 0.2607 0.0054 -0.0037 -0.0081 73 VAL A O 514 C CB . VAL A 73 ? 0.1792 0.4871 0.2947 -0.0143 0.0114 -0.0037 73 VAL A CB 515 C CG1 . VAL A 73 ? 0.1792 0.4884 0.3063 -0.0173 0.0053 -0.0025 73 VAL A CG1 516 C CG2 . VAL A 73 ? 0.1448 0.5066 0.2686 -0.0094 0.0191 -0.0111 73 VAL A CG2 517 N N . ALA A 74 ? 0.1471 0.3562 0.2380 -0.0110 0.0019 0.0016 74 ALA A N 518 C CA . ALA A 74 ? 0.1562 0.3251 0.2410 -0.0131 -0.0027 0.0059 74 ALA A CA 519 C C . ALA A 74 ? 0.1547 0.3048 0.2436 0.0002 -0.0054 -0.0050 74 ALA A C 520 O O . ALA A 74 ? 0.1931 0.3198 0.2830 0.0013 -0.0085 -0.0032 74 ALA A O 521 C CB . ALA A 74 ? 0.1673 0.3226 0.2384 -0.0200 -0.0011 0.0152 74 ALA A CB 522 N N . THR A 75 ? 0.1590 0.3200 0.2500 0.0092 -0.0033 -0.0171 75 THR A N 523 C CA . THR A 75 ? 0.1699 0.3096 0.2656 0.0188 -0.0036 -0.0297 75 THR A CA 524 C C . THR A 75 ? 0.1678 0.2964 0.2712 0.0293 -0.0041 -0.0306 75 THR A C 525 O O . THR A 75 ? 0.1694 0.2655 0.2720 0.0316 -0.0048 -0.0293 75 THR A O 526 C CB . THR A 75 ? 0.1665 0.3225 0.2629 0.0248 -0.0006 -0.0463 75 THR A CB 527 O OG1 . THR A 75 ? 0.2080 0.3734 0.2951 0.0176 -0.0017 -0.0443 75 THR A OG1 528 C CG2 . THR A 75 ? 0.2032 0.3301 0.3054 0.0312 0.0010 -0.0619 75 THR A CG2 529 N N . LYS A 76 ? 0.1647 0.3230 0.2750 0.0364 -0.0033 -0.0316 76 LYS A N 530 C CA . LYS A 76 ? 0.1623 0.3192 0.2799 0.0511 -0.0047 -0.0317 76 LYS A CA 531 C C . LYS A 76 ? 0.1653 0.3069 0.2786 0.0446 -0.0100 -0.0179 76 LYS A C 532 O O . LYS A 76 ? 0.1620 0.2800 0.2736 0.0549 -0.0117 -0.0145 76 LYS A O 533 C CB . LYS A 76 ? 0.1458 0.3511 0.2738 0.0587 -0.0034 -0.0350 76 LYS A CB 534 C CG . LYS A 76 ? 0.1755 0.3899 0.3117 0.0747 -0.0071 -0.0319 76 LYS A CG 535 C CD . LYS A 76 ? 0.2572 0.4348 0.3924 0.0962 -0.0050 -0.0383 76 LYS A CD 536 C CE . LYS A 76 ? 0.3001 0.4866 0.4411 0.1187 -0.0089 -0.0327 76 LYS A CE 537 N NZ . LYS A 76 ? 0.3419 0.4840 0.4796 0.1403 -0.0043 -0.0380 76 LYS A NZ 538 N N . HIS A 77 ? 0.1524 0.3050 0.2620 0.0277 -0.0118 -0.0100 77 HIS A N 539 C CA . HIS A 77 ? 0.1536 0.2941 0.2586 0.0218 -0.0168 -0.0009 77 HIS A CA 540 C C . HIS A 77 ? 0.1527 0.2510 0.2483 0.0214 -0.0164 0.0014 77 HIS A C 541 O O . HIS A 77 ? 0.1770 0.2595 0.2678 0.0262 -0.0189 0.0066 77 HIS A O 542 C CB . HIS A 77 ? 0.1316 0.2866 0.2344 0.0020 -0.0175 0.0046 77 HIS A CB 543 C CG . HIS A 77 ? 0.1479 0.3457 0.2614 -0.0014 -0.0193 0.0039 77 HIS A CG 544 N ND1 . HIS A 77 ? 0.1763 0.3890 0.2941 0.0043 -0.0259 0.0044 77 HIS A ND1 545 C CD2 . HIS A 77 ? 0.1332 0.3675 0.2547 -0.0108 -0.0152 0.0026 77 HIS A CD2 546 C CE1 . HIS A 77 ? 0.1686 0.4283 0.2992 -0.0017 -0.0265 0.0015 77 HIS A CE1 547 N NE2 . HIS A 77 ? 0.1434 0.4155 0.2768 -0.0124 -0.0192 0.0006 77 HIS A NE2 548 N N . ALA A 78 ? 0.1514 0.2359 0.2439 0.0159 -0.0129 -0.0024 78 ALA A N 549 C CA . ALA A 78 ? 0.1622 0.2138 0.2497 0.0147 -0.0113 -0.0025 78 ALA A CA 550 C C . ALA A 78 ? 0.1974 0.2282 0.2874 0.0269 -0.0083 -0.0065 78 ALA A C 551 O O . ALA A 78 ? 0.2088 0.2139 0.2932 0.0269 -0.0069 -0.0010 78 ALA A O 552 C CB . ALA A 78 ? 0.1551 0.2060 0.2413 0.0076 -0.0094 -0.0071 78 ALA A CB 553 N N . GLN A 79 ? 0.1966 0.2354 0.2935 0.0374 -0.0059 -0.0157 79 GLN A N 554 C CA . GLN A 79 ? 0.2414 0.2528 0.3390 0.0512 -0.0020 -0.0178 79 GLN A CA 555 C C . GLN A 79 ? 0.2484 0.2549 0.3404 0.0621 -0.0056 -0.0035 79 GLN A C 556 O O . GLN A 79 ? 0.2582 0.2311 0.3430 0.0675 -0.0022 0.0034 79 GLN A O 557 C CB . GLN A 79 ? 0.2507 0.2745 0.3565 0.0641 0.0009 -0.0313 79 GLN A CB 558 C CG . GLN A 79 ? 0.3009 0.3286 0.4095 0.0544 0.0044 -0.0477 79 GLN A CG 559 C CD . GLN A 79 ? 0.3332 0.3767 0.4481 0.0666 0.0080 -0.0648 79 GLN A CD 560 O OE1 . GLN A 79 ? 0.3229 0.3978 0.4419 0.0775 0.0065 -0.0637 79 GLN A OE1 561 N NE2 . GLN A 79 ? 0.3663 0.3912 0.4829 0.0637 0.0132 -0.0829 79 GLN A NE2 562 N N . GLU A 80 ? 0.2330 0.2762 0.3279 0.0651 -0.0119 0.0008 80 GLU A N 563 C CA . GLU A 80 ? 0.2431 0.2938 0.3329 0.0755 -0.0176 0.0125 80 GLU A CA 564 C C . GLU A 80 ? 0.2261 0.2555 0.3026 0.0643 -0.0187 0.0219 80 GLU A C 565 O O . GLU A 80 ? 0.2345 0.2464 0.3005 0.0752 -0.0191 0.0323 80 GLU A O 566 C CB . GLU A 80 ? 0.2461 0.3485 0.3448 0.0746 -0.0243 0.0115 80 GLU A CB 567 C CG . GLU A 80 ? 0.2744 0.4043 0.3865 0.0898 -0.0225 0.0028 80 GLU A CG 568 C CD . GLU A 80 ? 0.3638 0.4766 0.4750 0.1178 -0.0215 0.0056 80 GLU A CD 569 O OE1 . GLU A 80 ? 0.4628 0.5607 0.5786 0.1294 -0.0150 -0.0040 80 GLU A OE1 570 O OE2 . GLU A 80 ? 0.4162 0.5289 0.5205 0.1297 -0.0269 0.0172 80 GLU A OE2 571 N N . ALA A 81 ? 0.2136 0.2430 0.2888 0.0448 -0.0183 0.0190 81 ALA A N 572 C CA . ALA A 81 ? 0.2068 0.2170 0.2700 0.0354 -0.0180 0.0253 81 ALA A CA 573 C C . ALA A 81 ? 0.2333 0.2050 0.2900 0.0395 -0.0104 0.0291 81 ALA A C 574 O O . ALA A 81 ? 0.2594 0.2171 0.3036 0.0425 -0.0096 0.0390 81 ALA A O 575 C CB . ALA A 81 ? 0.1819 0.1948 0.2459 0.0180 -0.0175 0.0206 81 ALA A CB 576 N N . ILE A 82 ? 0.2370 0.1929 0.3016 0.0388 -0.0041 0.0209 82 ILE A N 577 C CA . ILE A 82 ? 0.2656 0.1841 0.3265 0.0385 0.0050 0.0227 82 ILE A CA 578 C C . ILE A 82 ? 0.3135 0.2112 0.3648 0.0558 0.0069 0.0350 82 ILE A C 579 O O . ILE A 82 ? 0.3450 0.2156 0.3842 0.0545 0.0129 0.0459 82 ILE A O 580 C CB . ILE A 82 ? 0.2608 0.1699 0.3337 0.0340 0.0108 0.0074 82 ILE A CB 581 C CG1 . ILE A 82 ? 0.2330 0.1635 0.3123 0.0188 0.0087 -0.0017 82 ILE A CG1 582 C CG2 . ILE A 82 ? 0.3235 0.1879 0.3945 0.0320 0.0225 0.0074 82 ILE A CG2 583 C CD1 . ILE A 82 ? 0.2661 0.2048 0.3569 0.0157 0.0108 -0.0196 82 ILE A CD1 584 N N . GLU A 83 ? 0.3222 0.2322 0.3779 0.0735 0.0030 0.0342 83 GLU A N 585 C CA . GLU A 83 ? 0.3871 0.2787 0.4327 0.0961 0.0040 0.0480 83 GLU A CA 586 C C . GLU A 83 ? 0.3944 0.2921 0.4223 0.0986 -0.0007 0.0652 83 GLU A C 587 O O . GLU A 83 ? 0.4156 0.2811 0.4272 0.1076 0.0050 0.0808 83 GLU A O 588 C CB . GLU A 83 ? 0.3975 0.3182 0.4527 0.1170 -0.0022 0.0438 83 GLU A CB 589 C CG . GLU A 83 ? 0.4988 0.4014 0.5653 0.1229 0.0050 0.0289 83 GLU A CG 590 C CD . GLU A 83 ? 0.6102 0.5522 0.6891 0.1415 -0.0003 0.0209 83 GLU A CD 591 O OE1 . GLU A 83 ? 0.6736 0.6385 0.7503 0.1624 -0.0071 0.0316 83 GLU A OE1 592 O OE2 . GLU A 83 ? 0.6428 0.5977 0.7338 0.1357 0.0023 0.0032 83 GLU A OE2 593 N N . HIS A 84 ? 0.3569 0.2957 0.3865 0.0898 -0.0104 0.0621 84 HIS A N 594 C CA . HIS A 84 ? 0.3595 0.3119 0.3730 0.0908 -0.0162 0.0732 84 HIS A CA 595 C C . HIS A 84 ? 0.3801 0.3047 0.3809 0.0758 -0.0082 0.0778 84 HIS A C 596 O O . HIS A 84 ? 0.4172 0.3282 0.3984 0.0830 -0.0058 0.0926 84 HIS A O 597 C CB . HIS A 84 ? 0.3195 0.3201 0.3403 0.0810 -0.0272 0.0641 84 HIS A CB 598 C CG . HIS A 84 ? 0.3008 0.3414 0.3308 0.0974 -0.0362 0.0632 84 HIS A CG 599 N ND1 . HIS A 84 ? 0.2712 0.3313 0.2906 0.1175 -0.0437 0.0745 84 HIS A ND1 600 C CD2 . HIS A 84 ? 0.2819 0.3520 0.3313 0.0976 -0.0387 0.0523 84 HIS A CD2 601 C CE1 . HIS A 84 ? 0.3084 0.4113 0.3428 0.1295 -0.0510 0.0694 84 HIS A CE1 602 N NE2 . HIS A 84 ? 0.2510 0.3611 0.3040 0.1162 -0.0475 0.0556 84 HIS A NE2 603 N N . LEU A 85 ? 0.3454 0.2649 0.3562 0.0566 -0.0038 0.0660 85 LEU A N 604 C CA . LEU A 85 ? 0.3643 0.2643 0.3663 0.0434 0.0043 0.0686 85 LEU A CA 605 C C . LEU A 85 ? 0.4139 0.2734 0.4077 0.0476 0.0167 0.0798 85 LEU A C 606 O O . LEU A 85 ? 0.4294 0.2758 0.4077 0.0435 0.0233 0.0901 85 LEU A O 607 C CB . LEU A 85 ? 0.3241 0.2284 0.3405 0.0258 0.0068 0.0540 85 LEU A CB 608 C CG . LEU A 85 ? 0.3189 0.2532 0.3389 0.0190 -0.0024 0.0459 85 LEU A CG 609 C CD1 . LEU A 85 ? 0.3264 0.2656 0.3615 0.0089 -0.0012 0.0339 85 LEU A CD1 610 C CD2 . LEU A 85 ? 0.3076 0.2470 0.3123 0.0139 -0.0037 0.0486 85 LEU A CD2 611 N N . ARG A 86 ? 0.4513 0.2894 0.4548 0.0544 0.0212 0.0768 86 ARG A N 612 C CA . ARG A 86 ? 0.5421 0.3327 0.5379 0.0565 0.0350 0.0868 86 ARG A CA 613 C C . ARG A 86 ? 0.6134 0.3901 0.5859 0.0775 0.0348 0.1100 86 ARG A C 614 O O . ARG A 86 ? 0.6761 0.4174 0.6324 0.0758 0.0469 0.1255 86 ARG A O 615 C CB . ARG A 86 ? 0.5508 0.3178 0.5620 0.0591 0.0403 0.0746 86 ARG A CB 616 C CG . ARG A 86 ? 0.5451 0.3174 0.5752 0.0365 0.0445 0.0539 86 ARG A CG 617 C CD . ARG A 86 ? 0.6204 0.3652 0.6631 0.0359 0.0519 0.0392 86 ARG A CD 618 N NE . ARG A 86 ? 0.6718 0.4273 0.7308 0.0122 0.0557 0.0196 86 ARG A NE 619 C CZ . ARG A 86 ? 0.7213 0.4581 0.7820 -0.0076 0.0674 0.0189 86 ARG A CZ 620 N NH1 . ARG A 86 ? 0.6612 0.4185 0.7391 -0.0275 0.0688 -0.0004 86 ARG A NH1 621 N NH2 . ARG A 86 ? 0.7645 0.4656 0.8094 -0.0073 0.0780 0.0383 86 ARG A NH2 622 N N . ALA A 87 ? 0.6279 0.4345 0.5983 0.0976 0.0217 0.1133 87 ALA A N 623 C CA . ALA A 87 ? 0.6851 0.4938 0.6321 0.1202 0.0175 0.1352 87 ALA A CA 624 C C . ALA A 87 ? 0.7026 0.5157 0.6277 0.1098 0.0201 0.1466 87 ALA A C 625 O O . ALA A 87 ? 0.7500 0.5405 0.6505 0.1219 0.0261 0.1688 87 ALA A O 626 C CB . ALA A 87 ? 0.6631 0.5238 0.6165 0.1380 0.0001 0.1312 87 ALA A CB 627 N N . SER A 88 ? 0.6868 0.5264 0.6197 0.0884 0.0170 0.1317 88 SER A N 628 C CA . SER A 88 ? 0.6976 0.5512 0.6110 0.0799 0.0176 0.1371 88 SER A CA 629 C C . SER A 88 ? 0.7207 0.5429 0.6282 0.0628 0.0350 0.1416 88 SER A C 630 O O . SER A 88 ? 0.7685 0.5634 0.6548 0.0687 0.0456 0.1619 88 SER A O 631 C CB . SER A 88 ? 0.6532 0.5498 0.5766 0.0679 0.0058 0.1179 88 SER A CB 632 O OG . SER A 88 ? 0.6596 0.5588 0.5739 0.0525 0.0114 0.1139 88 SER A OG 633 N N . SER B 1 ? 0.3672 0.1889 0.2149 0.0670 0.0119 0.0200 1 SER B N 634 C CA . SER B 1 ? 0.3847 0.2149 0.2015 0.0621 0.0069 0.0217 1 SER B CA 635 C C . SER B 1 ? 0.4186 0.2261 0.2267 0.0523 0.0284 0.0233 1 SER B C 636 O O . SER B 1 ? 0.3922 0.1880 0.2284 0.0458 0.0411 0.0213 1 SER B O 637 C CB . SER B 1 ? 0.3563 0.2175 0.1885 0.0520 -0.0040 0.0056 1 SER B CB 638 O OG . SER B 1 ? 0.3591 0.2473 0.2125 0.0596 -0.0188 0.0058 1 SER B OG 639 N N . GLY B 2 ? 0.4453 0.2462 0.2156 0.0519 0.0323 0.0266 2 GLY B N 640 C CA . GLY B 2 ? 0.4782 0.2607 0.2400 0.0462 0.0584 0.0317 2 GLY B CA 641 C C . GLY B 2 ? 0.4418 0.2410 0.2359 0.0330 0.0636 0.0138 2 GLY B C 642 O O . GLY B 2 ? 0.3953 0.2160 0.2064 0.0287 0.0469 -0.0015 2 GLY B O 643 N N . HIS B 3 ? 0.4583 0.2488 0.2596 0.0281 0.0883 0.0182 3 HIS B N 644 C CA . HIS B 3 ? 0.4442 0.2509 0.2818 0.0180 0.0940 0.0042 3 HIS B CA 645 C C . HIS B 3 ? 0.4353 0.2545 0.2562 0.0185 0.0803 -0.0126 3 HIS B C 646 O O . HIS B 3 ? 0.4048 0.2411 0.2562 0.0121 0.0690 -0.0256 3 HIS B O 647 C CB . HIS B 3 ? 0.4738 0.2733 0.3213 0.0159 0.1254 0.0153 3 HIS B CB 648 C CG . HIS B 3 ? 0.5056 0.3249 0.3933 0.0087 0.1317 0.0030 3 HIS B CG 649 N ND1 . HIS B 3 ? 0.5048 0.3384 0.4525 -0.0027 0.1267 -0.0026 3 HIS B ND1 650 C CD2 . HIS B 3 ? 0.5578 0.3830 0.4336 0.0135 0.1418 -0.0048 3 HIS B CD2 651 C CE1 . HIS B 3 ? 0.5236 0.3756 0.4969 -0.0044 0.1315 -0.0118 3 HIS B CE1 652 N NE2 . HIS B 3 ? 0.5275 0.3739 0.4595 0.0059 0.1425 -0.0129 3 HIS B NE2 653 N N . THR B 4 ? 0.4758 0.2820 0.2451 0.0265 0.0812 -0.0121 4 THR B N 654 C CA . THR B 4 ? 0.4708 0.2795 0.2212 0.0259 0.0673 -0.0291 4 THR B CA 655 C C . THR B 4 ? 0.4337 0.2597 0.1998 0.0200 0.0377 -0.0369 4 THR B C 656 O O . THR B 4 ? 0.4036 0.2390 0.1876 0.0131 0.0289 -0.0494 4 THR B O 657 C CB . THR B 4 ? 0.5297 0.3150 0.2155 0.0367 0.0698 -0.0298 4 THR B CB 658 O OG1 . THR B 4 ? 0.5737 0.3470 0.2497 0.0438 0.1044 -0.0206 4 THR B OG1 659 C CG2 . THR B 4 ? 0.5606 0.3399 0.2259 0.0347 0.0518 -0.0513 4 THR B CG2 660 N N . ALA B 5 ? 0.4231 0.2539 0.1852 0.0239 0.0242 -0.0273 5 ALA B N 661 C CA . ALA B 5 ? 0.3961 0.2497 0.1785 0.0204 -0.0006 -0.0312 5 ALA B CA 662 C C . ALA B 5 ? 0.3600 0.2309 0.1889 0.0138 0.0034 -0.0361 5 ALA B C 663 O O . ALA B 5 ? 0.3351 0.2222 0.1821 0.0074 -0.0075 -0.0431 5 ALA B O 664 C CB . ALA B 5 ? 0.4235 0.2823 0.2020 0.0304 -0.0115 -0.0174 5 ALA B CB 665 N N . HIS B 6 ? 0.3428 0.2083 0.1906 0.0153 0.0184 -0.0319 6 HIS B N 666 C CA . HIS B 6 ? 0.2914 0.1703 0.1763 0.0109 0.0186 -0.0393 6 HIS B CA 667 C C . HIS B 6 ? 0.2928 0.1758 0.1887 0.0041 0.0219 -0.0492 6 HIS B C 668 O O . HIS B 6 ? 0.2756 0.1726 0.1884 0.0018 0.0142 -0.0544 6 HIS B O 669 C CB . HIS B 6 ? 0.2932 0.1610 0.1969 0.0122 0.0287 -0.0361 6 HIS B CB 670 C CG . HIS B 6 ? 0.3116 0.1730 0.2117 0.0214 0.0240 -0.0282 6 HIS B CG 671 N ND1 . HIS B 6 ? 0.2950 0.1720 0.2033 0.0287 0.0125 -0.0310 6 HIS B ND1 672 C CD2 . HIS B 6 ? 0.3238 0.1631 0.2155 0.0263 0.0318 -0.0163 6 HIS B CD2 673 C CE1 . HIS B 6 ? 0.3476 0.2124 0.2521 0.0396 0.0122 -0.0228 6 HIS B CE1 674 N NE2 . HIS B 6 ? 0.3045 0.1447 0.1973 0.0378 0.0224 -0.0132 6 HIS B NE2 675 N N . VAL B 7 ? 0.3192 0.1896 0.2035 0.0034 0.0349 -0.0501 7 VAL B N 676 C CA . VAL B 7 ? 0.3304 0.2036 0.2262 0.0004 0.0378 -0.0590 7 VAL B CA 677 C C . VAL B 7 ? 0.3501 0.2251 0.2330 -0.0026 0.0221 -0.0648 7 VAL B C 678 O O . VAL B 7 ? 0.3340 0.2159 0.2345 -0.0057 0.0174 -0.0692 7 VAL B O 679 C CB . VAL B 7 ? 0.3610 0.2216 0.2474 0.0042 0.0582 -0.0586 7 VAL B CB 680 C CG1 . VAL B 7 ? 0.3825 0.2437 0.2783 0.0051 0.0598 -0.0682 7 VAL B CG1 681 C CG2 . VAL B 7 ? 0.3541 0.2189 0.2727 0.0027 0.0748 -0.0499 7 VAL B CG2 682 N N . ASP B 8 ? 0.3555 0.2219 0.2075 -0.0021 0.0130 -0.0641 8 ASP B N 683 C CA . ASP B 8 ? 0.3654 0.2316 0.2110 -0.0088 -0.0049 -0.0704 8 ASP B CA 684 C C . ASP B 8 ? 0.3262 0.2181 0.2049 -0.0145 -0.0157 -0.0650 8 ASP B C 685 O O . ASP B 8 ? 0.3011 0.1965 0.1939 -0.0220 -0.0226 -0.0670 8 ASP B O 686 C CB . ASP B 8 ? 0.3847 0.2404 0.1944 -0.0075 -0.0186 -0.0711 8 ASP B CB 687 C CG . ASP B 8 ? 0.4979 0.3223 0.2606 -0.0002 -0.0094 -0.0790 8 ASP B CG 688 O OD1 . ASP B 8 ? 0.5182 0.3301 0.2814 0.0028 0.0072 -0.0855 8 ASP B OD1 689 O OD2 . ASP B 8 ? 0.5402 0.3537 0.2637 0.0049 -0.0197 -0.0780 8 ASP B OD2 690 N N . GLU B 9 ? 0.2995 0.2076 0.1891 -0.0093 -0.0157 -0.0566 9 GLU B N 691 C CA . GLU B 9 ? 0.2955 0.2289 0.2135 -0.0095 -0.0197 -0.0508 9 GLU B CA 692 C C . GLU B 9 ? 0.2653 0.2003 0.1981 -0.0088 -0.0111 -0.0535 9 GLU B C 693 O O . GLU B 9 ? 0.2597 0.2085 0.2070 -0.0113 -0.0133 -0.0493 9 GLU B O 694 C CB . GLU B 9 ? 0.2956 0.2406 0.2185 0.0010 -0.0188 -0.0433 9 GLU B CB 695 C CG . GLU B 9 ? 0.4153 0.3700 0.3324 0.0025 -0.0328 -0.0368 9 GLU B CG 696 C CD . GLU B 9 ? 0.5145 0.5022 0.4632 -0.0015 -0.0421 -0.0303 9 GLU B CD 697 O OE1 . GLU B 9 ? 0.5864 0.5941 0.5539 0.0091 -0.0360 -0.0232 9 GLU B OE1 698 O OE2 . GLU B 9 ? 0.5468 0.5392 0.5039 -0.0150 -0.0533 -0.0320 9 GLU B OE2 699 N N . ALA B 10 ? 0.2535 0.1766 0.1850 -0.0047 -0.0017 -0.0583 10 ALA B N 700 C CA . ALA B 10 ? 0.2269 0.1519 0.1718 -0.0032 0.0011 -0.0621 10 ALA B CA 701 C C . ALA B 10 ? 0.2437 0.1643 0.1896 -0.0083 -0.0012 -0.0630 10 ALA B C 702 O O . ALA B 10 ? 0.2358 0.1634 0.1895 -0.0069 -0.0034 -0.0597 10 ALA B O 703 C CB . ALA B 10 ? 0.2362 0.1517 0.1891 -0.0012 0.0087 -0.0672 10 ALA B CB 704 N N . VAL B 11 ? 0.2528 0.1572 0.1865 -0.0121 0.0000 -0.0673 11 VAL B N 705 C CA . VAL B 11 ? 0.2794 0.1709 0.2126 -0.0156 -0.0024 -0.0699 11 VAL B CA 706 C C . VAL B 11 ? 0.2843 0.1832 0.2247 -0.0244 -0.0125 -0.0625 11 VAL B C 707 O O . VAL B 11 ? 0.2849 0.1821 0.2356 -0.0260 -0.0129 -0.0571 11 VAL B O 708 C CB . VAL B 11 ? 0.2896 0.1556 0.1992 -0.0153 0.0010 -0.0793 11 VAL B CB 709 C CG1 . VAL B 11 ? 0.3358 0.1798 0.2405 -0.0198 -0.0054 -0.0842 11 VAL B CG1 710 C CG2 . VAL B 11 ? 0.2966 0.1598 0.2096 -0.0059 0.0172 -0.0824 11 VAL B CG2 711 N N . LYS B 12 ? 0.3037 0.2126 0.2423 -0.0299 -0.0204 -0.0596 12 LYS B N 712 C CA . LYS B 12 ? 0.3241 0.2473 0.2814 -0.0406 -0.0297 -0.0503 12 LYS B CA 713 C C . LYS B 12 ? 0.3047 0.2506 0.2810 -0.0355 -0.0208 -0.0371 12 LYS B C 714 O O . LYS B 12 ? 0.2851 0.2339 0.2766 -0.0426 -0.0203 -0.0268 12 LYS B O 715 C CB . LYS B 12 ? 0.3294 0.2694 0.2886 -0.0429 -0.0401 -0.0480 12 LYS B CB 716 C CG . LYS B 12 ? 0.3926 0.3609 0.3855 -0.0532 -0.0485 -0.0352 12 LYS B CG 717 C CD . LYS B 12 ? 0.4110 0.4037 0.4111 -0.0499 -0.0592 -0.0315 12 LYS B CD 718 C CE . LYS B 12 ? 0.4238 0.4438 0.4365 -0.0346 -0.0455 -0.0213 12 LYS B CE 719 N NZ . LYS B 12 ? 0.4914 0.5463 0.5324 -0.0340 -0.0559 -0.0109 12 LYS B NZ 720 N N . HIS B 13 ? 0.2632 0.2222 0.2356 -0.0229 -0.0138 -0.0369 13 HIS B N 721 C CA . HIS B 13 ? 0.2610 0.2370 0.2392 -0.0142 -0.0057 -0.0273 13 HIS B CA 722 C C . HIS B 13 ? 0.2729 0.2338 0.2436 -0.0110 -0.0031 -0.0276 13 HIS B C 723 O O . HIS B 13 ? 0.2956 0.2635 0.2693 -0.0093 0.0020 -0.0147 13 HIS B O 724 C CB . HIS B 13 ? 0.2556 0.2405 0.2259 0.0000 -0.0016 -0.0313 13 HIS B CB 725 C CG . HIS B 13 ? 0.2747 0.2799 0.2566 0.0016 -0.0025 -0.0252 13 HIS B CG 726 N ND1 . HIS B 13 ? 0.2985 0.3322 0.3016 0.0017 0.0023 -0.0104 13 HIS B ND1 727 C CD2 . HIS B 13 ? 0.2761 0.2791 0.2547 0.0037 -0.0075 -0.0292 13 HIS B CD2 728 C CE1 . HIS B 13 ? 0.3284 0.3799 0.3448 0.0046 -0.0017 -0.0070 13 HIS B CE1 729 N NE2 . HIS B 13 ? 0.2932 0.3243 0.2913 0.0070 -0.0084 -0.0183 13 HIS B NE2 730 N N . ALA B 14 ? 0.2526 0.1946 0.2154 -0.0089 -0.0055 -0.0397 14 ALA B N 731 C CA . ALA B 14 ? 0.2485 0.1800 0.2088 -0.0029 -0.0057 -0.0396 14 ALA B CA 732 C C . ALA B 14 ? 0.2555 0.1731 0.2209 -0.0115 -0.0062 -0.0303 14 ALA B C 733 O O . ALA B 14 ? 0.2847 0.1988 0.2481 -0.0067 -0.0046 -0.0198 14 ALA B O 734 C CB . ALA B 14 ? 0.2149 0.1356 0.1774 0.0009 -0.0067 -0.0525 14 ALA B CB 735 N N . GLU B 15 ? 0.2613 0.1679 0.2307 -0.0241 -0.0099 -0.0341 15 GLU B N 736 C CA . GLU B 15 ? 0.2967 0.1842 0.2742 -0.0360 -0.0134 -0.0269 15 GLU B CA 737 C C . GLU B 15 ? 0.2921 0.1978 0.2862 -0.0420 -0.0089 -0.0053 15 GLU B C 738 O O . GLU B 15 ? 0.3023 0.1932 0.3026 -0.0457 -0.0061 0.0085 15 GLU B O 739 C CB . GLU B 15 ? 0.2890 0.1599 0.2640 -0.0488 -0.0231 -0.0385 15 GLU B CB 740 C CG . GLU B 15 ? 0.3563 0.2003 0.3107 -0.0412 -0.0223 -0.0561 15 GLU B CG 741 C CD . GLU B 15 ? 0.4885 0.3113 0.4263 -0.0503 -0.0331 -0.0701 15 GLU B CD 742 O OE1 . GLU B 15 ? 0.5115 0.3516 0.4521 -0.0589 -0.0426 -0.0687 15 GLU B OE1 743 O OE2 . GLU B 15 ? 0.5669 0.3551 0.4857 -0.0461 -0.0327 -0.0833 15 GLU B OE2 744 N N . GLU B 16 ? 0.2831 0.2203 0.2861 -0.0421 -0.0060 0.0001 16 GLU B N 745 C CA . GLU B 16 ? 0.2861 0.2480 0.3076 -0.0443 0.0042 0.0229 16 GLU B CA 746 C C . GLU B 16 ? 0.2956 0.2582 0.2962 -0.0266 0.0158 0.0327 16 GLU B C 747 O O . GLU B 16 ? 0.3065 0.2690 0.3117 -0.0275 0.0256 0.0538 16 GLU B O 748 C CB . GLU B 16 ? 0.2919 0.2899 0.3288 -0.0430 0.0067 0.0259 16 GLU B CB 749 C CG . GLU B 16 ? 0.3541 0.3568 0.4159 -0.0614 -0.0080 0.0219 16 GLU B CG 750 C CD . GLU B 16 ? 0.4924 0.4948 0.5897 -0.0828 -0.0108 0.0379 16 GLU B CD 751 O OE1 . GLU B 16 ? 0.5696 0.6049 0.6986 -0.0854 0.0020 0.0608 16 GLU B OE1 752 O OE2 . GLU B 16 ? 0.5425 0.5104 0.6378 -0.0971 -0.0246 0.0283 16 GLU B OE2 753 N N . ALA B 17 ? 0.2748 0.2355 0.2511 -0.0105 0.0133 0.0178 17 ALA B N 754 C CA . ALA B 17 ? 0.2777 0.2366 0.2281 0.0080 0.0179 0.0234 17 ALA B CA 755 C C . ALA B 17 ? 0.3118 0.2458 0.2578 0.0078 0.0157 0.0331 17 ALA B C 756 O O . ALA B 17 ? 0.3378 0.2715 0.2682 0.0176 0.0237 0.0518 17 ALA B O 757 C CB . ALA B 17 ? 0.2798 0.2375 0.2122 0.0214 0.0091 0.0020 17 ALA B CB 758 N N . VAL B 18 ? 0.2933 0.2044 0.2496 -0.0004 0.0066 0.0220 18 VAL B N 759 C CA . VAL B 18 ? 0.3304 0.2136 0.2845 0.0021 0.0041 0.0300 18 VAL B CA 760 C C . VAL B 18 ? 0.3667 0.2400 0.3343 -0.0113 0.0123 0.0534 18 VAL B C 761 O O . VAL B 18 ? 0.4145 0.2752 0.3720 -0.0037 0.0179 0.0742 18 VAL B O 762 C CB . VAL B 18 ? 0.3319 0.1912 0.2941 -0.0011 -0.0043 0.0104 18 VAL B CB 763 C CG1 . VAL B 18 ? 0.3514 0.1743 0.3161 0.0001 -0.0056 0.0191 18 VAL B CG1 764 C CG2 . VAL B 18 ? 0.3017 0.1732 0.2587 0.0128 -0.0097 -0.0071 18 VAL B CG2 765 N N . ALA B 19 ? 0.3589 0.2371 0.3513 -0.0318 0.0118 0.0522 19 ALA B N 766 C CA . ALA B 19 ? 0.3862 0.2577 0.4034 -0.0494 0.0179 0.0752 19 ALA B CA 767 C C . ALA B 19 ? 0.3968 0.2918 0.4081 -0.0396 0.0369 0.1042 19 ALA B C 768 O O . ALA B 19 ? 0.4269 0.3050 0.4411 -0.0419 0.0457 0.1285 19 ALA B O 769 C CB . ALA B 19 ? 0.3788 0.2635 0.4288 -0.0728 0.0105 0.0689 19 ALA B CB 770 N N . HIS B 20 ? 0.3697 0.3003 0.3689 -0.0265 0.0445 0.1018 20 HIS B N 771 C CA . HIS B 20 ? 0.4001 0.3527 0.3838 -0.0117 0.0655 0.1270 20 HIS B CA 772 C C . HIS B 20 ? 0.4279 0.3586 0.3659 0.0111 0.0657 0.1335 20 HIS B C 773 O O . HIS B 20 ? 0.4911 0.4176 0.4167 0.0175 0.0820 0.1632 20 HIS B O 774 C CB . HIS B 20 ? 0.3901 0.3793 0.3652 0.0014 0.0718 0.1167 20 HIS B CB 775 C CG . HIS B 20 ? 0.3886 0.4103 0.4108 -0.0154 0.0781 0.1237 20 HIS B CG 776 N ND1 . HIS B 20 ? 0.4446 0.4894 0.5007 -0.0250 0.0986 0.1557 20 HIS B ND1 777 C CD2 . HIS B 20 ? 0.3580 0.3950 0.4026 -0.0243 0.0658 0.1050 20 HIS B CD2 778 C CE1 . HIS B 20 ? 0.4365 0.5132 0.5398 -0.0397 0.0961 0.1548 20 HIS B CE1 779 N NE2 . HIS B 20 ? 0.3738 0.4446 0.4669 -0.0383 0.0752 0.1240 20 HIS B NE2 780 N N . GLY B 21 ? 0.4126 0.3303 0.3273 0.0237 0.0476 0.1084 21 GLY B N 781 C CA . GLY B 21 ? 0.4686 0.3680 0.3441 0.0462 0.0412 0.1134 21 GLY B CA 782 C C . GLY B 21 ? 0.5236 0.3900 0.4022 0.0435 0.0428 0.1363 21 GLY B C 783 O O . GLY B 21 ? 0.5632 0.4196 0.4074 0.0622 0.0472 0.1572 21 GLY B O 784 N N . LYS B 22 ? 0.5270 0.3725 0.4425 0.0219 0.0384 0.1322 22 LYS B N 785 C CA . LYS B 22 ? 0.5858 0.3913 0.5103 0.0164 0.0393 0.1517 22 LYS B CA 786 C C . LYS B 22 ? 0.6242 0.4307 0.5516 0.0101 0.0619 0.1918 22 LYS B C 787 O O . LYS B 22 ? 0.6746 0.4489 0.5934 0.0148 0.0669 0.2176 22 LYS B O 788 C CB . LYS B 22 ? 0.5611 0.3391 0.5202 -0.0054 0.0287 0.1335 22 LYS B CB 789 C CG . LYS B 22 ? 0.5575 0.3335 0.5118 0.0042 0.0122 0.0979 22 LYS B CG 790 C CD . LYS B 22 ? 0.5960 0.3322 0.5659 -0.0040 0.0029 0.0795 22 LYS B CD 791 C CE . LYS B 22 ? 0.6982 0.4231 0.6916 -0.0322 -0.0001 0.0681 22 LYS B CE 792 N NZ . LYS B 22 ? 0.6731 0.4155 0.6674 -0.0384 -0.0076 0.0377 22 LYS B NZ 793 N N . GLU B 23 ? 0.6123 0.4569 0.5532 0.0016 0.0772 0.1989 23 GLU B N 794 C CA . GLU B 23 ? 0.6444 0.5007 0.5976 -0.0053 0.1047 0.2395 23 GLU B CA 795 C C . GLU B 23 ? 0.6627 0.5408 0.5619 0.0258 0.1221 0.2552 23 GLU B C 796 O O . GLU B 23 ? 0.6996 0.5917 0.5974 0.0280 0.1504 0.2907 23 GLU B O 797 C CB . GLU B 23 ? 0.6243 0.5141 0.6344 -0.0328 0.1126 0.2407 23 GLU B CB 798 C CG . GLU B 23 ? 0.6519 0.5193 0.7120 -0.0650 0.0937 0.2259 23 GLU B CG 799 C CD . GLU B 23 ? 0.7978 0.6263 0.8856 -0.0845 0.0997 0.2554 23 GLU B CD 800 O OE1 . GLU B 23 ? 0.8444 0.6907 0.9844 -0.1096 0.1130 0.2802 23 GLU B OE1 801 O OE2 . GLU B 23 ? 0.8667 0.6468 0.9288 -0.0748 0.0915 0.2556 23 GLU B OE2 802 N N . GLY B 24 ? 0.6451 0.5252 0.4992 0.0504 0.1051 0.2286 24 GLY B N 803 C CA . GLY B 24 ? 0.6684 0.5600 0.4607 0.0822 0.1146 0.2370 24 GLY B CA 804 C C . GLY B 24 ? 0.6604 0.5923 0.4495 0.0880 0.1306 0.2297 24 GLY B C 805 O O . GLY B 24 ? 0.6904 0.6316 0.4281 0.1141 0.1466 0.2417 24 GLY B O 806 N N . HIS B 25 ? 0.5961 0.5500 0.4352 0.0669 0.1262 0.2097 25 HIS B N 807 C CA . HIS B 25 ? 0.5906 0.5825 0.4306 0.0751 0.1414 0.2035 25 HIS B CA 808 C C . HIS B 25 ? 0.5769 0.5664 0.3794 0.0936 0.1195 0.1646 25 HIS B C 809 O O . HIS B 25 ? 0.5315 0.5297 0.3638 0.0813 0.1049 0.1380 25 HIS B O 810 C CB . HIS B 25 ? 0.5435 0.5633 0.4558 0.0462 0.1456 0.2032 25 HIS B CB 811 C CG . HIS B 25 ? 0.5922 0.6129 0.5566 0.0201 0.1601 0.2371 25 HIS B CG 812 N ND1 . HIS B 25 ? 0.5786 0.5998 0.6060 -0.0132 0.1457 0.2305 25 HIS B ND1 813 C CD2 . HIS B 25 ? 0.6254 0.6413 0.5867 0.0216 0.1857 0.2777 25 HIS B CD2 814 C CE1 . HIS B 25 ? 0.6315 0.6485 0.6983 -0.0334 0.1600 0.2640 25 HIS B CE1 815 N NE2 . HIS B 25 ? 0.6435 0.6579 0.6737 -0.0134 0.1865 0.2952 25 HIS B NE2 816 N N . THR B 26 ? 0.6120 0.5881 0.3482 0.1231 0.1165 0.1622 26 THR B N 817 C CA . THR B 26 ? 0.6069 0.5759 0.3062 0.1403 0.0926 0.1258 26 THR B CA 818 C C . THR B 26 ? 0.5782 0.5698 0.2940 0.1401 0.0974 0.1047 26 THR B C 819 O O . THR B 26 ? 0.5294 0.5157 0.2616 0.1319 0.0744 0.0741 26 THR B O 820 C CB . THR B 26 ? 0.6772 0.6300 0.2968 0.1742 0.0899 0.1292 26 THR B CB 821 O OG1 . THR B 26 ? 0.7290 0.6602 0.3370 0.1750 0.0844 0.1519 26 THR B OG1 822 C CG2 . THR B 26 ? 0.6734 0.6140 0.2616 0.1875 0.0572 0.0892 26 THR B CG2 823 N N . ASP B 27 ? 0.5980 0.6145 0.3129 0.1496 0.1285 0.1235 27 ASP B N 824 C CA . ASP B 27 ? 0.5983 0.6351 0.3246 0.1561 0.1349 0.1061 27 ASP B CA 825 C C . ASP B 27 ? 0.5292 0.5793 0.3254 0.1261 0.1229 0.0955 27 ASP B C 826 O O . ASP B 27 ? 0.5085 0.5568 0.3081 0.1282 0.1093 0.0687 27 ASP B O 827 C CB . ASP B 27 ? 0.6408 0.7065 0.3564 0.1763 0.1747 0.1314 27 ASP B CB 828 C CG . ASP B 27 ? 0.7744 0.8216 0.3985 0.2170 0.1839 0.1276 27 ASP B CG 829 O OD1 . ASP B 27 ? 0.8394 0.8530 0.4121 0.2287 0.1535 0.0989 27 ASP B OD1 830 O OD2 . ASP B 27 ? 0.8441 0.9109 0.4465 0.2386 0.2216 0.1529 27 ASP B OD2 831 N N . GLN B 28 ? 0.4933 0.5522 0.3411 0.0991 0.1263 0.1160 28 GLN B N 832 C CA . GLN B 28 ? 0.4484 0.5150 0.3526 0.0720 0.1114 0.1047 28 GLN B CA 833 C C . GLN B 28 ? 0.4097 0.4449 0.3046 0.0639 0.0820 0.0776 28 GLN B C 834 O O . GLN B 28 ? 0.3887 0.4240 0.3028 0.0545 0.0680 0.0574 28 GLN B O 835 C CB . GLN B 28 ? 0.4454 0.5255 0.4056 0.0446 0.1193 0.1309 28 GLN B CB 836 C CG . GLN B 28 ? 0.5347 0.6586 0.5339 0.0441 0.1476 0.1593 28 GLN B CG 837 C CD . GLN B 28 ? 0.6043 0.7589 0.6225 0.0525 0.1483 0.1460 28 GLN B CD 838 O OE1 . GLN B 28 ? 0.6713 0.8493 0.6735 0.0781 0.1723 0.1541 28 GLN B OE1 839 N NE2 . GLN B 28 ? 0.5536 0.7057 0.6011 0.0346 0.1230 0.1257 28 GLN B NE2 840 N N . LEU B 29 ? 0.4014 0.4109 0.2687 0.0685 0.0734 0.0788 29 LEU B N 841 C CA . LEU B 29 ? 0.3791 0.3659 0.2412 0.0655 0.0484 0.0533 29 LEU B CA 842 C C . LEU B 29 ? 0.3622 0.3499 0.2045 0.0788 0.0382 0.0264 29 LEU B C 843 O O . LEU B 29 ? 0.3086 0.2925 0.1718 0.0681 0.0259 0.0080 29 LEU B O 844 C CB . LEU B 29 ? 0.4072 0.3704 0.2457 0.0728 0.0388 0.0590 29 LEU B CB 845 C CG . LEU B 29 ? 0.4197 0.3684 0.2556 0.0751 0.0137 0.0319 29 LEU B CG 846 C CD1 . LEU B 29 ? 0.3962 0.3257 0.2384 0.0724 0.0057 0.0403 29 LEU B CD1 847 C CD2 . LEU B 29 ? 0.4683 0.4152 0.2622 0.0977 0.0011 0.0154 29 LEU B CD2 848 N N . LEU B 30 ? 0.3976 0.3868 0.1975 0.1027 0.0445 0.0251 30 LEU B N 849 C CA . LEU B 30 ? 0.3984 0.3804 0.1763 0.1161 0.0336 -0.0013 30 LEU B CA 850 C C . LEU B 30 ? 0.3746 0.3710 0.1836 0.1090 0.0407 -0.0076 30 LEU B C 851 O O . LEU B 30 ? 0.3683 0.3531 0.1861 0.1042 0.0259 -0.0289 30 LEU B O 852 C CB . LEU B 30 ? 0.4741 0.4507 0.1922 0.1461 0.0411 -0.0013 30 LEU B CB 853 C CG . LEU B 30 ? 0.5094 0.4649 0.1823 0.1595 0.0226 -0.0055 30 LEU B CG 854 C CD1 . LEU B 30 ? 0.5529 0.5031 0.1546 0.1927 0.0367 0.0015 30 LEU B CD1 855 C CD2 . LEU B 30 ? 0.4772 0.4150 0.1545 0.1553 -0.0104 -0.0380 30 LEU B CD2 856 N N . GLU B 31 ? 0.3633 0.3856 0.1924 0.1084 0.0627 0.0126 31 GLU B N 857 C CA . GLU B 31 ? 0.3720 0.4114 0.2333 0.1041 0.0668 0.0088 31 GLU B CA 858 C C . GLU B 31 ? 0.3263 0.3580 0.2214 0.0798 0.0490 -0.0010 31 GLU B C 859 O O . GLU B 31 ? 0.2993 0.3234 0.1991 0.0799 0.0404 -0.0163 31 GLU B O 860 C CB . GLU B 31 ? 0.3859 0.4623 0.2786 0.1030 0.0906 0.0360 31 GLU B CB 861 C CG . GLU B 31 ? 0.4864 0.5849 0.3990 0.1137 0.0989 0.0336 31 GLU B CG 862 C CD . GLU B 31 ? 0.5837 0.7209 0.5119 0.1282 0.1289 0.0589 31 GLU B CD 863 O OE1 . GLU B 31 ? 0.6571 0.8103 0.6018 0.1177 0.1424 0.0840 31 GLU B OE1 864 O OE2 . GLU B 31 ? 0.5969 0.7480 0.5239 0.1504 0.1408 0.0552 31 GLU B OE2 865 N N . HIS B 32 ? 0.3054 0.3337 0.2188 0.0608 0.0440 0.0079 32 HIS B N 866 C CA . HIS B 32 ? 0.3062 0.3247 0.2435 0.0410 0.0300 -0.0015 32 HIS B CA 867 C C . HIS B 32 ? 0.2916 0.2854 0.2144 0.0421 0.0158 -0.0219 32 HIS B C 868 O O . HIS B 32 ? 0.2879 0.2750 0.2212 0.0349 0.0092 -0.0326 32 HIS B O 869 C CB . HIS B 32 ? 0.3153 0.3327 0.2745 0.0222 0.0296 0.0126 32 HIS B CB 870 C CG . HIS B 32 ? 0.3253 0.3700 0.3189 0.0115 0.0375 0.0301 32 HIS B CG 871 N ND1 . HIS B 32 ? 0.3489 0.4064 0.3663 0.0027 0.0294 0.0253 32 HIS B ND1 872 C CD2 . HIS B 32 ? 0.3596 0.4243 0.3715 0.0087 0.0524 0.0543 32 HIS B CD2 873 C CE1 . HIS B 32 ? 0.3605 0.4478 0.4145 -0.0061 0.0356 0.0439 32 HIS B CE1 874 N NE2 . HIS B 32 ? 0.3586 0.4514 0.4133 -0.0040 0.0514 0.0625 32 HIS B NE2 875 N N . ALA B 33 ? 0.3053 0.2869 0.2056 0.0515 0.0108 -0.0259 33 ALA B N 876 C CA . ALA B 33 ? 0.2956 0.2601 0.1938 0.0513 -0.0046 -0.0448 33 ALA B CA 877 C C . ALA B 33 ? 0.3148 0.2742 0.2070 0.0583 -0.0082 -0.0602 33 ALA B C 878 O O . ALA B 33 ? 0.2984 0.2476 0.2054 0.0507 -0.0163 -0.0721 33 ALA B O 879 C CB . ALA B 33 ? 0.3078 0.2638 0.1846 0.0623 -0.0142 -0.0462 33 ALA B CB 880 N N . LYS B 34 ? 0.3025 0.2668 0.1725 0.0744 -0.0005 -0.0591 34 LYS B N 881 C CA . LYS B 34 ? 0.3285 0.2807 0.1909 0.0835 -0.0039 -0.0749 34 LYS B CA 882 C C . LYS B 34 ? 0.3120 0.2678 0.2027 0.0720 0.0002 -0.0719 34 LYS B C 883 O O . LYS B 34 ? 0.3173 0.2555 0.2147 0.0686 -0.0068 -0.0835 34 LYS B O 884 C CB . LYS B 34 ? 0.3458 0.3018 0.1761 0.1071 0.0074 -0.0734 34 LYS B CB 885 C CG . LYS B 34 ? 0.3981 0.3380 0.1861 0.1225 -0.0031 -0.0844 34 LYS B CG 886 C CD . LYS B 34 ? 0.4582 0.4007 0.2011 0.1505 0.0125 -0.0806 34 LYS B CD 887 C CE . LYS B 34 ? 0.5413 0.4656 0.2336 0.1657 -0.0017 -0.0902 34 LYS B CE 888 N NZ . LYS B 34 ? 0.6239 0.5477 0.2607 0.1977 0.0179 -0.0862 34 LYS B NZ 889 N N . GLU B 35 ? 0.2933 0.2709 0.2012 0.0654 0.0100 -0.0551 35 GLU B N 890 C CA . GLU B 35 ? 0.2860 0.2682 0.2151 0.0560 0.0100 -0.0511 35 GLU B CA 891 C C . GLU B 35 ? 0.2704 0.2367 0.2079 0.0401 0.0021 -0.0571 35 GLU B C 892 O O . GLU B 35 ? 0.2571 0.2119 0.1983 0.0375 0.0004 -0.0607 35 GLU B O 893 C CB . GLU B 35 ? 0.2678 0.2786 0.2174 0.0500 0.0163 -0.0333 35 GLU B CB 894 C CG A GLU B 35 ? 0.2909 0.3257 0.2401 0.0661 0.0304 -0.0222 35 GLU B CG 895 C CG B GLU B 35 ? 0.3325 0.3653 0.2928 0.0636 0.0242 -0.0252 35 GLU B CG 896 C CD A GLU B 35 ? 0.2845 0.3535 0.2691 0.0571 0.0352 -0.0030 35 GLU B CD 897 C CD B GLU B 35 ? 0.3773 0.4088 0.3503 0.0588 0.0158 -0.0251 35 GLU B CD 898 O OE1 A GLU B 35 ? 0.3388 0.4231 0.3343 0.0507 0.0433 0.0116 35 GLU B OE1 899 O OE1 B GLU B 35 ? 0.3085 0.3631 0.2994 0.0676 0.0181 -0.0155 35 GLU B OE1 900 O OE2 A GLU B 35 ? 0.1693 0.2486 0.1726 0.0552 0.0290 -0.0015 35 GLU B OE2 901 O OE2 B GLU B 35 ? 0.4605 0.4685 0.4256 0.0474 0.0073 -0.0333 35 GLU B OE2 902 N N . SER B 36 ? 0.2417 0.2068 0.1816 0.0313 -0.0004 -0.0559 36 SER B N 903 C CA . SER B 36 ? 0.2333 0.1851 0.1811 0.0204 -0.0039 -0.0615 36 SER B CA 904 C C . SER B 36 ? 0.2472 0.1845 0.1981 0.0226 -0.0077 -0.0734 36 SER B C 905 O O . SER B 36 ? 0.2400 0.1683 0.1995 0.0159 -0.0048 -0.0745 36 SER B O 906 C CB . SER B 36 ? 0.2396 0.1898 0.1893 0.0168 -0.0061 -0.0598 36 SER B CB 907 O OG . SER B 36 ? 0.2498 0.1891 0.2090 0.0094 -0.0061 -0.0650 36 SER B OG 908 N N . LEU B 37 ? 0.2313 0.1651 0.1743 0.0317 -0.0145 -0.0817 37 LEU B N 909 C CA . LEU B 37 ? 0.2591 0.1782 0.2116 0.0308 -0.0233 -0.0949 37 LEU B CA 910 C C . LEU B 37 ? 0.2657 0.1705 0.2207 0.0307 -0.0191 -0.0963 37 LEU B C 911 O O . LEU B 37 ? 0.2736 0.1652 0.2485 0.0219 -0.0198 -0.0997 37 LEU B O 912 C CB . LEU B 37 ? 0.2678 0.1827 0.2006 0.0434 -0.0361 -0.1058 37 LEU B CB 913 C CG . LEU B 37 ? 0.3184 0.2147 0.2604 0.0422 -0.0529 -0.1241 37 LEU B CG 914 C CD1 . LEU B 37 ? 0.3095 0.2120 0.2930 0.0264 -0.0572 -0.1241 37 LEU B CD1 915 C CD2 . LEU B 37 ? 0.3665 0.2549 0.2777 0.0571 -0.0705 -0.1382 37 LEU B CD2 916 N N . THR B 38 ? 0.2689 0.1767 0.2072 0.0419 -0.0139 -0.0917 38 THR B N 917 C CA . THR B 38 ? 0.2772 0.1698 0.2160 0.0458 -0.0099 -0.0903 38 THR B CA 918 C C . THR B 38 ? 0.2675 0.1573 0.2193 0.0333 -0.0035 -0.0799 38 THR B C 919 O O . THR B 38 ? 0.2493 0.1181 0.2095 0.0293 -0.0014 -0.0797 38 THR B O 920 C CB . THR B 38 ? 0.2889 0.1945 0.2147 0.0616 -0.0037 -0.0833 38 THR B CB 921 O OG1 . THR B 38 ? 0.2978 0.2024 0.2035 0.0771 -0.0055 -0.0930 38 THR B OG1 922 C CG2 . THR B 38 ? 0.2886 0.1765 0.2149 0.0696 -0.0010 -0.0807 38 THR B CG2 923 N N . HIS B 39 ? 0.2411 0.1490 0.1913 0.0278 0.0000 -0.0707 39 HIS B N 924 C CA . HIS B 39 ? 0.2443 0.1479 0.1942 0.0193 0.0056 -0.0628 39 HIS B CA 925 C C . HIS B 39 ? 0.2558 0.1494 0.2198 0.0096 0.0107 -0.0664 39 HIS B C 926 O O . HIS B 39 ? 0.2658 0.1464 0.2305 0.0058 0.0201 -0.0597 39 HIS B O 927 C CB . HIS B 39 ? 0.2139 0.1350 0.1567 0.0158 0.0034 -0.0571 39 HIS B CB 928 C CG . HIS B 39 ? 0.2362 0.1707 0.1752 0.0225 -0.0006 -0.0488 39 HIS B CG 929 N ND1 . HIS B 39 ? 0.2408 0.1671 0.1708 0.0271 -0.0012 -0.0417 39 HIS B ND1 930 C CD2 . HIS B 39 ? 0.2545 0.2126 0.2015 0.0274 -0.0033 -0.0441 39 HIS B CD2 931 C CE1 . HIS B 39 ? 0.2634 0.2100 0.1987 0.0345 -0.0073 -0.0344 39 HIS B CE1 932 N NE2 . HIS B 39 ? 0.2533 0.2215 0.2024 0.0338 -0.0073 -0.0354 39 HIS B NE2 933 N N . ALA B 40 ? 0.2543 0.1561 0.2304 0.0069 0.0060 -0.0741 40 ALA B N 934 C CA . ALA B 40 ? 0.2546 0.1544 0.2556 -0.0009 0.0106 -0.0767 40 ALA B CA 935 C C . ALA B 40 ? 0.2823 0.1671 0.3037 -0.0052 0.0113 -0.0782 40 ALA B C 936 O O . ALA B 40 ? 0.2792 0.1590 0.3202 -0.0128 0.0241 -0.0711 40 ALA B O 937 C CB . ALA B 40 ? 0.2411 0.1535 0.2549 0.0000 0.0008 -0.0844 40 ALA B CB 938 N N . LYS B 41 ? 0.2627 0.1383 0.2805 -0.0002 -0.0012 -0.0873 41 LYS B N 939 C CA . LYS B 41 ? 0.3020 0.1565 0.3404 -0.0058 -0.0040 -0.0910 41 LYS B CA 940 C C . LYS B 41 ? 0.3199 0.1564 0.3502 -0.0060 0.0109 -0.0762 41 LYS B C 941 O O . LYS B 41 ? 0.3240 0.1436 0.3787 -0.0155 0.0177 -0.0706 41 LYS B O 942 C CB . LYS B 41 ? 0.3210 0.1614 0.3468 0.0032 -0.0217 -0.1072 41 LYS B CB 943 C CG . LYS B 41 ? 0.3511 0.2028 0.3818 0.0041 -0.0402 -0.1224 41 LYS B CG 944 C CD . LYS B 41 ? 0.4836 0.3156 0.4841 0.0186 -0.0553 -0.1391 41 LYS B CD 945 C CE . LYS B 41 ? 0.5445 0.3820 0.5361 0.0237 -0.0768 -0.1551 41 LYS B CE 946 N NZ . LYS B 41 ? 0.6479 0.4803 0.6807 0.0085 -0.0960 -0.1667 41 LYS B NZ 947 N N . ALA B 42 ? 0.3039 0.1444 0.3025 0.0043 0.0152 -0.0681 42 ALA B N 948 C CA . ALA B 42 ? 0.3337 0.1563 0.3188 0.0080 0.0254 -0.0529 42 ALA B CA 949 C C . ALA B 42 ? 0.3543 0.1781 0.3391 0.0003 0.0424 -0.0390 42 ALA B C 950 O O . ALA B 42 ? 0.3906 0.1947 0.3669 0.0012 0.0542 -0.0237 42 ALA B O 951 C CB . ALA B 42 ? 0.3059 0.1367 0.2627 0.0228 0.0204 -0.0485 42 ALA B CB 952 N N . ALA B 43 ? 0.3546 0.1979 0.3457 -0.0049 0.0455 -0.0433 43 ALA B N 953 C CA . ALA B 43 ? 0.4121 0.2558 0.4019 -0.0089 0.0651 -0.0327 43 ALA B CA 954 C C . ALA B 43 ? 0.4611 0.3033 0.4948 -0.0199 0.0789 -0.0277 43 ALA B C 955 O O . ALA B 43 ? 0.5216 0.3624 0.5540 -0.0208 0.1019 -0.0143 43 ALA B O 956 C CB . ALA B 43 ? 0.3830 0.2444 0.3611 -0.0070 0.0639 -0.0400 43 ALA B CB 957 N N . SER B 44 ? 0.4757 0.3206 0.5493 -0.0280 0.0656 -0.0387 44 SER B N 958 C CA . SER B 44 ? 0.5231 0.3789 0.6523 -0.0409 0.0750 -0.0356 44 SER B CA 959 C C . SER B 44 ? 0.5555 0.3926 0.7061 -0.0500 0.0962 -0.0160 44 SER B C 960 O O . SER B 44 ? 0.6015 0.4138 0.7611 -0.0552 0.0867 -0.0165 44 SER B O 961 C CB . SER B 44 ? 0.5224 0.3869 0.6908 -0.0483 0.0493 -0.0542 44 SER B CB 962 O OG . SER B 44 ? 0.5404 0.4113 0.6752 -0.0372 0.0302 -0.0688 44 SER B OG 963 N N . THR B 50 ? 0.3680 0.4466 0.8437 -0.0373 0.1308 -0.0251 50 THR B N 964 C CA . THR B 50 ? 0.3487 0.3875 0.7315 -0.0278 0.1392 -0.0272 50 THR B CA 965 C C . THR B 50 ? 0.3112 0.3390 0.6462 -0.0169 0.1102 -0.0449 50 THR B C 966 O O . THR B 50 ? 0.2695 0.3038 0.6188 -0.0211 0.0758 -0.0570 50 THR B O 967 C CB . THR B 50 ? 0.3891 0.3968 0.7421 -0.0405 0.1403 -0.0212 50 THR B CB 968 O OG1 . THR B 50 ? 0.4910 0.4773 0.7893 -0.0310 0.1733 -0.0078 50 THR B OG1 969 C CG2 . THR B 50 ? 0.3611 0.3438 0.6646 -0.0414 0.1062 -0.0375 50 THR B CG2 970 N N . HIS B 51 ? 0.2870 0.2972 0.5652 -0.0019 0.1256 -0.0455 51 HIS B N 971 C CA . HIS B 51 ? 0.2728 0.2671 0.5031 0.0067 0.1040 -0.0581 51 HIS B CA 972 C C . HIS B 51 ? 0.2691 0.2448 0.4629 -0.0019 0.0795 -0.0646 51 HIS B C 973 O O . HIS B 51 ? 0.2497 0.2244 0.4307 0.0007 0.0554 -0.0731 51 HIS B O 974 C CB . HIS B 51 ? 0.2841 0.2563 0.4611 0.0210 0.1251 -0.0583 51 HIS B CB 975 C CG . HIS B 51 ? 0.2995 0.2864 0.5043 0.0371 0.1421 -0.0578 51 HIS B CG 976 N ND1 . HIS B 51 ? 0.2915 0.2919 0.5233 0.0448 0.1231 -0.0638 51 HIS B ND1 977 C CD2 . HIS B 51 ? 0.3596 0.3485 0.5669 0.0503 0.1775 -0.0512 51 HIS B CD2 978 C CE1 . HIS B 51 ? 0.3495 0.3606 0.6046 0.0620 0.1449 -0.0614 51 HIS B CE1 979 N NE2 . HIS B 51 ? 0.3547 0.3598 0.5955 0.0661 0.1795 -0.0544 51 HIS B NE2 980 N N . VAL B 52 ? 0.2907 0.2511 0.4666 -0.0100 0.0871 -0.0587 52 VAL B N 981 C CA . VAL B 52 ? 0.2985 0.2440 0.4467 -0.0152 0.0644 -0.0650 52 VAL B CA 982 C C . VAL B 52 ? 0.2814 0.2389 0.4657 -0.0209 0.0376 -0.0749 52 VAL B C 983 O O . VAL B 52 ? 0.2709 0.2238 0.4289 -0.0163 0.0163 -0.0841 52 VAL B O 984 C CB . VAL B 52 ? 0.3268 0.2525 0.4547 -0.0205 0.0763 -0.0556 52 VAL B CB 985 C CG1 . VAL B 52 ? 0.3409 0.2527 0.4465 -0.0222 0.0544 -0.0625 52 VAL B CG1 986 C CG2 . VAL B 52 ? 0.3693 0.2803 0.4462 -0.0117 0.0954 -0.0488 52 VAL B CG2 987 N N . GLY B 53 ? 0.2810 0.2540 0.5248 -0.0306 0.0384 -0.0727 53 GLY B N 988 C CA . GLY B 53 ? 0.2659 0.2499 0.5470 -0.0367 0.0077 -0.0850 53 GLY B CA 989 C C . GLY B 53 ? 0.2508 0.2494 0.5245 -0.0245 -0.0134 -0.0939 53 GLY B C 990 O O . GLY B 53 ? 0.2341 0.2263 0.4868 -0.0209 -0.0408 -0.1058 53 GLY B O 991 N N . HIS B 54 ? 0.2346 0.2501 0.5223 -0.0156 0.0009 -0.0871 54 HIS B N 992 C CA . HIS B 54 ? 0.2528 0.2767 0.5298 -0.0018 -0.0163 -0.0916 54 HIS B CA 993 C C . HIS B 54 ? 0.2532 0.2528 0.4609 0.0060 -0.0235 -0.0944 54 HIS B C 994 O O . HIS B 54 ? 0.2494 0.2491 0.4395 0.0140 -0.0464 -0.0992 54 HIS B O 995 C CB . HIS B 54 ? 0.2659 0.3056 0.5680 0.0089 0.0050 -0.0833 54 HIS B CB 996 C CG . HIS B 54 ? 0.3164 0.3917 0.6992 0.0047 0.0098 -0.0785 54 HIS B CG 997 N ND1 . HIS B 54 ? 0.3995 0.4866 0.8123 0.0058 0.0460 -0.0668 54 HIS B ND1 998 C CD2 . HIS B 54 ? 0.3580 0.4619 0.8009 -0.0006 -0.0171 -0.0832 54 HIS B CD2 999 C CE1 . HIS B 54 ? 0.3537 0.4793 0.8493 0.0003 0.0443 -0.0620 54 HIS B CE1 1000 N NE2 . HIS B 54 ? 0.3647 0.5018 0.8829 -0.0047 0.0035 -0.0727 54 HIS B NE2 1001 N N . GLY B 55 ? 0.2527 0.2328 0.4217 0.0043 -0.0040 -0.0896 55 GLY B N 1002 C CA . GLY B 55 ? 0.2507 0.2136 0.3667 0.0087 -0.0091 -0.0897 55 GLY B CA 1003 C C . GLY B 55 ? 0.2624 0.2208 0.3632 0.0071 -0.0274 -0.0965 55 GLY B C 1004 O O . GLY B 55 ? 0.2521 0.2076 0.3249 0.0148 -0.0395 -0.0975 55 GLY B O 1005 N N . ILE B 56 ? 0.2472 0.2020 0.3650 -0.0016 -0.0279 -0.1005 56 ILE B N 1006 C CA . ILE B 56 ? 0.2701 0.2138 0.3705 -0.0004 -0.0467 -0.1110 56 ILE B CA 1007 C C . ILE B 56 ? 0.2906 0.2428 0.3936 0.0072 -0.0735 -0.1209 56 ILE B C 1008 O O . ILE B 56 ? 0.3165 0.2606 0.3764 0.0188 -0.0849 -0.1251 56 ILE B O 1009 C CB . ILE B 56 ? 0.2855 0.2186 0.4116 -0.0118 -0.0454 -0.1144 56 ILE B CB 1010 C CG1 . ILE B 56 ? 0.2615 0.1804 0.3670 -0.0141 -0.0224 -0.1033 56 ILE B CG1 1011 C CG2 . ILE B 56 ? 0.3176 0.2352 0.4321 -0.0096 -0.0694 -0.1304 56 ILE B CG2 1012 C CD1 . ILE B 56 ? 0.3464 0.2533 0.4820 -0.0260 -0.0139 -0.0994 56 ILE B CD1 1013 N N . LYS B 57 ? 0.2795 0.2499 0.4320 0.0027 -0.0827 -0.1229 57 LYS B N 1014 C CA . LYS B 57 ? 0.3239 0.3055 0.4848 0.0103 -0.1133 -0.1323 57 LYS B CA 1015 C C . LYS B 57 ? 0.2996 0.2804 0.4165 0.0273 -0.1149 -0.1249 57 LYS B C 1016 O O . LYS B 57 ? 0.3184 0.2934 0.4012 0.0388 -0.1361 -0.1312 57 LYS B O 1017 C CB . LYS B 57 ? 0.3204 0.3305 0.5546 0.0031 -0.1210 -0.1318 57 LYS B CB 1018 C CG . LYS B 57 ? 0.4664 0.4790 0.7511 -0.0139 -0.1385 -0.1434 57 LYS B CG 1019 C CD . LYS B 57 ? 0.5380 0.5441 0.8536 -0.0312 -0.1089 -0.1344 57 LYS B CD 1020 C CE . LYS B 57 ? 0.5682 0.5374 0.8464 -0.0369 -0.1091 -0.1421 57 LYS B CE 1021 N NZ . LYS B 57 ? 0.4946 0.4554 0.7743 -0.0439 -0.0717 -0.1249 57 LYS B NZ 1022 N N . HIS B 58 ? 0.2906 0.2733 0.4048 0.0294 -0.0921 -0.1112 58 HIS B N 1023 C CA . HIS B 58 ? 0.2773 0.2543 0.3545 0.0429 -0.0924 -0.1015 58 HIS B CA 1024 C C . HIS B 58 ? 0.2875 0.2480 0.3105 0.0463 -0.0868 -0.0987 58 HIS B C 1025 O O . HIS B 58 ? 0.3284 0.2847 0.3185 0.0583 -0.0939 -0.0926 58 HIS B O 1026 C CB . HIS B 58 ? 0.2676 0.2434 0.3554 0.0433 -0.0714 -0.0901 58 HIS B CB 1027 C CG . HIS B 58 ? 0.2685 0.2617 0.4020 0.0499 -0.0759 -0.0886 58 HIS B CG 1028 N ND1 . HIS B 58 ? 0.3065 0.3051 0.4393 0.0649 -0.0947 -0.0843 58 HIS B ND1 1029 C CD2 . HIS B 58 ? 0.2823 0.2905 0.4643 0.0461 -0.0623 -0.0887 58 HIS B CD2 1030 C CE1 . HIS B 58 ? 0.3036 0.3212 0.4866 0.0707 -0.0940 -0.0824 58 HIS B CE1 1031 N NE2 . HIS B 58 ? 0.2799 0.3052 0.4949 0.0594 -0.0727 -0.0852 58 HIS B NE2 1032 N N . LEU B 59 ? 0.2750 0.2279 0.2904 0.0374 -0.0720 -0.1000 59 LEU B N 1033 C CA . LEU B 59 ? 0.2777 0.2215 0.2500 0.0428 -0.0664 -0.0969 59 LEU B CA 1034 C C . LEU B 59 ? 0.3269 0.2649 0.2715 0.0547 -0.0855 -0.1087 59 LEU B C 1035 O O . LEU B 59 ? 0.3469 0.2813 0.2502 0.0683 -0.0849 -0.1030 59 LEU B O 1036 C CB . LEU B 59 ? 0.2706 0.2097 0.2457 0.0334 -0.0506 -0.0964 59 LEU B CB 1037 C CG . LEU B 59 ? 0.2669 0.2070 0.2510 0.0251 -0.0339 -0.0854 59 LEU B CG 1038 C CD1 . LEU B 59 ? 0.3074 0.2427 0.2974 0.0166 -0.0227 -0.0861 59 LEU B CD1 1039 C CD2 . LEU B 59 ? 0.2321 0.1726 0.1929 0.0286 -0.0280 -0.0725 59 LEU B CD2 1040 N N . GLU B 60 ? 0.3219 0.2568 0.2879 0.0501 -0.1022 -0.1251 60 GLU B N 1041 C CA . GLU B 60 ? 0.3782 0.3011 0.3143 0.0617 -0.1263 -0.1417 60 GLU B CA 1042 C C . GLU B 60 ? 0.4063 0.3345 0.3167 0.0771 -0.1436 -0.1385 60 GLU B C 1043 O O . GLU B 60 ? 0.4554 0.3716 0.3121 0.0947 -0.1536 -0.1438 60 GLU B O 1044 C CB . GLU B 60 ? 0.3765 0.2950 0.3534 0.0492 -0.1467 -0.1602 60 GLU B CB 1045 C CG . GLU B 60 ? 0.4058 0.3125 0.4020 0.0359 -0.1287 -0.1607 60 GLU B CG 1046 C CD . GLU B 60 ? 0.4345 0.3336 0.4784 0.0201 -0.1454 -0.1749 60 GLU B CD 1047 O OE1 . GLU B 60 ? 0.5599 0.4348 0.5989 0.0160 -0.1421 -0.1822 60 GLU B OE1 1048 O OE2 . GLU B 60 ? 0.5354 0.4527 0.6259 0.0116 -0.1619 -0.1776 60 GLU B OE2 1049 N N . ASP B 61 ? 0.3873 0.3318 0.3329 0.0735 -0.1470 -0.1293 61 ASP B N 1050 C CA . ASP B 61 ? 0.4247 0.3730 0.3472 0.0901 -0.1628 -0.1217 61 ASP B CA 1051 C C . ASP B 61 ? 0.4222 0.3627 0.2971 0.1017 -0.1415 -0.1005 61 ASP B C 1052 O O . ASP B 61 ? 0.4949 0.4279 0.3200 0.1206 -0.1515 -0.0955 61 ASP B O 1053 C CB . ASP B 61 ? 0.4065 0.3745 0.3846 0.0860 -0.1702 -0.1160 61 ASP B CB 1054 C CG . ASP B 61 ? 0.4579 0.4406 0.4827 0.0804 -0.2016 -0.1340 61 ASP B CG 1055 O OD1 . ASP B 61 ? 0.5641 0.5366 0.5689 0.0822 -0.2276 -0.1535 61 ASP B OD1 1056 O OD2 . ASP B 61 ? 0.4858 0.4908 0.5710 0.0747 -0.2009 -0.1290 61 ASP B OD2 1057 N N . ALA B 62 ? 0.3991 0.3406 0.2881 0.0906 -0.1132 -0.0869 62 ALA B N 1058 C CA . ALA B 62 ? 0.4006 0.3363 0.2555 0.0964 -0.0922 -0.0660 62 ALA B CA 1059 C C . ALA B 62 ? 0.4424 0.3721 0.2457 0.1097 -0.0872 -0.0680 62 ALA B C 1060 O O . ALA B 62 ? 0.4649 0.3906 0.2258 0.1251 -0.0800 -0.0519 62 ALA B O 1061 C CB . ALA B 62 ? 0.3657 0.3031 0.2496 0.0790 -0.0681 -0.0561 62 ALA B CB 1062 N N . ILE B 63 ? 0.4292 0.3564 0.2352 0.1060 -0.0887 -0.0862 63 ILE B N 1063 C CA . ILE B 63 ? 0.4762 0.3950 0.2341 0.1221 -0.0832 -0.0916 63 ILE B CA 1064 C C . ILE B 63 ? 0.5533 0.4592 0.2592 0.1442 -0.1073 -0.1022 63 ILE B C 1065 O O . ILE B 63 ? 0.6063 0.5075 0.2576 0.1646 -0.0962 -0.0909 63 ILE B O 1066 C CB . ILE B 63 ? 0.4530 0.3656 0.2261 0.1150 -0.0807 -0.1092 63 ILE B CB 1067 C CG1 . ILE B 63 ? 0.4278 0.3540 0.2339 0.1002 -0.0550 -0.0934 63 ILE B CG1 1068 C CG2 . ILE B 63 ? 0.5071 0.4049 0.2264 0.1372 -0.0786 -0.1206 63 ILE B CG2 1069 C CD1 . ILE B 63 ? 0.3804 0.3011 0.2183 0.0870 -0.0557 -0.1062 63 ILE B CD1 1070 N N . LYS B 64 ? 0.5755 0.4772 0.2998 0.1404 -0.1402 -0.1223 64 LYS B N 1071 C CA . LYS B 64 ? 0.6468 0.5360 0.3242 0.1601 -0.1722 -0.1363 64 LYS B CA 1072 C C . LYS B 64 ? 0.6798 0.5712 0.3147 0.1786 -0.1662 -0.1109 64 LYS B C 1073 O O . LYS B 64 ? 0.7348 0.6119 0.2963 0.2039 -0.1673 -0.1095 64 LYS B O 1074 C CB . LYS B 64 ? 0.6403 0.5348 0.3671 0.1475 -0.2100 -0.1566 64 LYS B CB 1075 C CG . LYS B 64 ? 0.7128 0.5976 0.4011 0.1655 -0.2549 -0.1743 64 LYS B CG 1076 C CD . LYS B 64 ? 0.7060 0.6153 0.4697 0.1507 -0.2830 -0.1767 64 LYS B CD 1077 C CE . LYS B 64 ? 0.7895 0.7014 0.5328 0.1677 -0.3311 -0.1863 64 LYS B CE 1078 N NZ . LYS B 64 ? 0.8503 0.7439 0.5745 0.1695 -0.3770 -0.2233 64 LYS B NZ 1079 N N . HIS B 65 ? 0.6348 0.5402 0.3117 0.1677 -0.1576 -0.0898 65 HIS B N 1080 C CA . HIS B 65 ? 0.6649 0.5679 0.3090 0.1832 -0.1513 -0.0622 65 HIS B CA 1081 C C . HIS B 65 ? 0.6680 0.5668 0.2712 0.1913 -0.1135 -0.0373 65 HIS B C 1082 O O . HIS B 65 ? 0.7075 0.5963 0.2482 0.2146 -0.1102 -0.0225 65 HIS B O 1083 C CB . HIS B 65 ? 0.6341 0.5473 0.3372 0.1699 -0.1518 -0.0487 65 HIS B CB 1084 C CG . HIS B 65 ? 0.6712 0.5934 0.4051 0.1721 -0.1900 -0.0647 65 HIS B CG 1085 N ND1 . HIS B 65 ? 0.7315 0.6496 0.4292 0.1949 -0.2189 -0.0608 65 HIS B ND1 1086 C CD2 . HIS B 65 ? 0.6456 0.5834 0.4454 0.1553 -0.2045 -0.0834 65 HIS B CD2 1087 C CE1 . HIS B 65 ? 0.7543 0.6886 0.5003 0.1911 -0.2525 -0.0776 65 HIS B CE1 1088 N NE2 . HIS B 65 ? 0.7011 0.6485 0.5120 0.1666 -0.2423 -0.0906 65 HIS B NE2 1089 N N . GLY B 66 ? 0.6139 0.5223 0.2538 0.1728 -0.0853 -0.0319 66 GLY B N 1090 C CA . GLY B 66 ? 0.6251 0.5383 0.2443 0.1768 -0.0489 -0.0085 66 GLY B CA 1091 C C . GLY B 66 ? 0.6859 0.5914 0.2359 0.2037 -0.0437 -0.0154 66 GLY B C 1092 O O . GLY B 66 ? 0.7333 0.6384 0.2379 0.2215 -0.0199 0.0099 66 GLY B O 1093 N N . GLU B 67 ? 0.7061 0.6019 0.2438 0.2086 -0.0656 -0.0492 67 GLU B N 1094 C CA . GLU B 67 ? 0.7925 0.6731 0.2573 0.2374 -0.0626 -0.0621 67 GLU B CA 1095 C C . GLU B 67 ? 0.8808 0.7461 0.2689 0.2659 -0.0742 -0.0535 67 GLU B C 1096 O O . GLU B 67 ? 0.9393 0.7959 0.2570 0.2941 -0.0546 -0.0463 67 GLU B O 1097 C CB . GLU B 67 ? 0.8029 0.6663 0.2678 0.2365 -0.0894 -0.1028 67 GLU B CB 1098 C CG . GLU B 67 ? 0.8037 0.6773 0.3325 0.2137 -0.0749 -0.1098 67 GLU B CG 1099 C CD . GLU B 67 ? 0.8889 0.7663 0.3980 0.2281 -0.0404 -0.1043 67 GLU B CD 1100 O OE1 . GLU B 67 ? 0.8586 0.7357 0.4038 0.2174 -0.0365 -0.1165 67 GLU B OE1 1101 O OE2 . GLU B 67 ? 0.9624 0.8446 0.4220 0.2515 -0.0157 -0.0854 67 GLU B OE2 1102 N N . GLU B 68 ? 0.8939 0.7567 0.2944 0.2613 -0.1048 -0.0528 68 GLU B N 1103 C CA . GLU B 68 ? 0.9907 0.8381 0.3189 0.2893 -0.1233 -0.0443 68 GLU B CA 1104 C C . GLU B 68 ? 0.9961 0.8492 0.3149 0.2941 -0.0920 0.0022 68 GLU B C 1105 O O . GLU B 68 ? 1.0571 0.8961 0.3082 0.3203 -0.0976 0.0188 68 GLU B O 1106 C CB . GLU B 68 ? 1.0048 0.8489 0.3532 0.2854 -0.1759 -0.0657 68 GLU B CB 1107 C CG . GLU B 68 ? 1.0509 0.8878 0.4175 0.2766 -0.2101 -0.1103 68 GLU B CG 1108 C CD . GLU B 68 ? 1.0942 0.9422 0.5211 0.2611 -0.2549 -0.1262 68 GLU B CD 1109 O OE1 . GLU B 68 ? 1.1525 0.9888 0.5686 0.2639 -0.2964 -0.1606 68 GLU B OE1 1110 O OE2 . GLU B 68 ? 1.0465 0.9145 0.5342 0.2466 -0.2490 -0.1051 68 GLU B OE2 1111 N N . GLY B 69 ? 0.9259 0.7968 0.3116 0.2685 -0.0605 0.0235 69 GLY B N 1112 C CA . GLY B 69 ? 0.9252 0.7989 0.3136 0.2673 -0.0282 0.0681 69 GLY B CA 1113 C C . GLY B 69 ? 0.8954 0.7649 0.3295 0.2529 -0.0436 0.0820 69 GLY B C 1114 O O . GLY B 69 ? 0.9190 0.7813 0.3485 0.2545 -0.0230 0.1193 69 GLY B O 1115 N N . HIS B 70 ? 0.8395 0.7122 0.3185 0.2404 -0.0779 0.0539 70 HIS B N 1116 C CA . HIS B 70 ? 0.8073 0.6774 0.3346 0.2296 -0.0903 0.0647 70 HIS B CA 1117 C C . HIS B 70 ? 0.7274 0.6068 0.3293 0.1974 -0.0676 0.0675 70 HIS B C 1118 O O . HIS B 70 ? 0.6659 0.5543 0.3221 0.1803 -0.0815 0.0447 70 HIS B O 1119 C CB . HIS B 70 ? 0.8055 0.6800 0.3509 0.2335 -0.1355 0.0357 70 HIS B CB 1120 C CG . HIS B 70 ? 0.9222 0.7888 0.3972 0.2614 -0.1669 0.0204 70 HIS B CG 1121 N ND1 . HIS B 70 ? 0.9347 0.8075 0.4186 0.2595 -0.2019 -0.0183 70 HIS B ND1 1122 C CD2 . HIS B 70 ? 1.0155 0.8652 0.4072 0.2922 -0.1709 0.0382 70 HIS B CD2 1123 C CE1 . HIS B 70 ? 1.0272 0.8861 0.4358 0.2874 -0.2297 -0.0272 70 HIS B CE1 1124 N NE2 . HIS B 70 ? 1.0822 0.9272 0.4292 0.3094 -0.2108 0.0068 70 HIS B NE2 1125 N N . VAL B 71 ? 0.7173 0.5949 0.3216 0.1892 -0.0328 0.0963 71 VAL B N 1126 C CA . VAL B 71 ? 0.6546 0.5399 0.3228 0.1591 -0.0145 0.0972 71 VAL B CA 1127 C C . VAL B 71 ? 0.6144 0.4877 0.3326 0.1449 -0.0268 0.0947 71 VAL B C 1128 O O . VAL B 71 ? 0.5628 0.4421 0.3287 0.1237 -0.0255 0.0787 71 VAL B O 1129 C CB . VAL B 71 ? 0.6723 0.5628 0.3394 0.1519 0.0230 0.1286 71 VAL B CB 1130 C CG1 . VAL B 71 ? 0.7170 0.5866 0.3615 0.1607 0.0361 0.1685 71 VAL B CG1 1131 C CG2 . VAL B 71 ? 0.6200 0.5221 0.3501 0.1213 0.0350 0.1240 71 VAL B CG2 1132 N N . GLY B 72 ? 0.6549 0.5098 0.3577 0.1602 -0.0392 0.1098 72 GLY B N 1133 C CA . GLY B 72 ? 0.6289 0.4698 0.3750 0.1535 -0.0494 0.1082 72 GLY B CA 1134 C C . GLY B 72 ? 0.5998 0.4581 0.3797 0.1513 -0.0729 0.0742 72 GLY B C 1135 O O . GLY B 72 ? 0.5707 0.4290 0.3975 0.1349 -0.0690 0.0616 72 GLY B O 1136 N N . VAL B 73 ? 0.6254 0.4979 0.3815 0.1677 -0.0974 0.0587 73 VAL B N 1137 C CA . VAL B 73 ? 0.5918 0.4842 0.3896 0.1623 -0.1189 0.0283 73 VAL B CA 1138 C C . VAL B 73 ? 0.5240 0.4283 0.3459 0.1399 -0.1046 0.0090 73 VAL B C 1139 O O . VAL B 73 ? 0.4825 0.3966 0.3516 0.1275 -0.1067 -0.0068 73 VAL B O 1140 C CB . VAL B 73 ? 0.6263 0.5304 0.4003 0.1816 -0.1544 0.0137 73 VAL B CB 1141 C CG1 . VAL B 73 ? 0.7105 0.6119 0.4271 0.1886 -0.1529 0.0083 73 VAL B CG1 1142 C CG2 . VAL B 73 ? 0.6175 0.5450 0.4489 0.1707 -0.1743 -0.0151 73 VAL B CG2 1143 N N . ALA B 74 ? 0.5180 0.4219 0.3063 0.1376 -0.0886 0.0128 74 ALA B N 1144 C CA . ALA B 74 ? 0.4711 0.3852 0.2786 0.1196 -0.0749 -0.0021 74 ALA B CA 1145 C C . ALA B 74 ? 0.4313 0.3415 0.2807 0.0993 -0.0578 0.0031 74 ALA B C 1146 O O . ALA B 74 ? 0.3981 0.3154 0.2804 0.0855 -0.0570 -0.0138 74 ALA B O 1147 C CB . ALA B 74 ? 0.4794 0.3947 0.2453 0.1255 -0.0574 0.0071 74 ALA B CB 1148 N N . THR B 75 ? 0.4263 0.3218 0.2722 0.0973 -0.0442 0.0266 75 THR B N 1149 C CA . THR B 75 ? 0.4182 0.3020 0.2984 0.0782 -0.0318 0.0296 75 THR B CA 1150 C C . THR B 75 ? 0.4033 0.2823 0.3168 0.0769 -0.0416 0.0132 75 THR B C 1151 O O . THR B 75 ? 0.3827 0.2606 0.3195 0.0623 -0.0345 0.0009 75 THR B O 1152 C CB . THR B 75 ? 0.4448 0.3056 0.3169 0.0769 -0.0193 0.0594 75 THR B CB 1153 O OG1 . THR B 75 ? 0.4890 0.3605 0.3378 0.0772 -0.0043 0.0768 75 THR B OG1 1154 C CG2 . THR B 75 ? 0.4423 0.2834 0.3463 0.0564 -0.0111 0.0598 75 THR B CG2 1155 N N . LYS B 76 ? 0.4323 0.3098 0.3466 0.0942 -0.0569 0.0144 76 LYS B N 1156 C CA . LYS B 76 ? 0.4365 0.3175 0.3879 0.0979 -0.0646 0.0010 76 LYS B CA 1157 C C . LYS B 76 ? 0.4008 0.3056 0.3766 0.0889 -0.0670 -0.0214 76 LYS B C 1158 O O . LYS B 76 ? 0.3809 0.2858 0.3857 0.0819 -0.0578 -0.0312 76 LYS B O 1159 C CB . LYS B 76 ? 0.4723 0.3558 0.4244 0.1206 -0.0845 0.0082 76 LYS B CB 1160 C CG . LYS B 76 ? 0.5608 0.4136 0.4904 0.1318 -0.0805 0.0345 76 LYS B CG 1161 C CD . LYS B 76 ? 0.5950 0.4531 0.5070 0.1583 -0.1046 0.0453 76 LYS B CD 1162 C CE . LYS B 76 ? 0.6901 0.5140 0.5725 0.1712 -0.0992 0.0766 76 LYS B CE 1163 N NZ . LYS B 76 ? 0.7593 0.5873 0.6005 0.1970 -0.1213 0.0909 76 LYS B NZ 1164 N N . HIS B 77 ? 0.3855 0.3065 0.3461 0.0900 -0.0779 -0.0293 77 HIS B N 1165 C CA . HIS B 77 ? 0.3497 0.2877 0.3344 0.0799 -0.0802 -0.0486 77 HIS B CA 1166 C C . HIS B 77 ? 0.3413 0.2731 0.3264 0.0634 -0.0595 -0.0508 77 HIS B C 1167 O O . HIS B 77 ? 0.3226 0.2603 0.3352 0.0547 -0.0528 -0.0610 77 HIS B O 1168 C CB . HIS B 77 ? 0.3575 0.3056 0.3220 0.0856 -0.0997 -0.0593 77 HIS B CB 1169 C CG . HIS B 77 ? 0.3953 0.3564 0.3768 0.0979 -0.1280 -0.0658 77 HIS B CG 1170 N ND1 . HIS B 77 ? 0.3862 0.3666 0.4249 0.0923 -0.1359 -0.0763 77 HIS B ND1 1171 C CD2 . HIS B 77 ? 0.4588 0.4186 0.4100 0.1162 -0.1511 -0.0619 77 HIS B CD2 1172 C CE1 . HIS B 77 ? 0.4598 0.4539 0.5104 0.1050 -0.1656 -0.0797 77 HIS B CE1 1173 N NE2 . HIS B 77 ? 0.4477 0.4275 0.4413 0.1204 -0.1771 -0.0719 77 HIS B NE2 1174 N N . ALA B 78 ? 0.3426 0.2643 0.2995 0.0595 -0.0490 -0.0395 78 ALA B N 1175 C CA . ALA B 78 ? 0.3141 0.2326 0.2734 0.0439 -0.0337 -0.0410 78 ALA B CA 1176 C C . ALA B 78 ? 0.3119 0.2157 0.2896 0.0372 -0.0256 -0.0431 78 ALA B C 1177 O O . ALA B 78 ? 0.2921 0.1960 0.2779 0.0284 -0.0183 -0.0525 78 ALA B O 1178 C CB . ALA B 78 ? 0.3206 0.2377 0.2577 0.0409 -0.0251 -0.0264 78 ALA B CB 1179 N N . GLN B 79 ? 0.3205 0.2087 0.3002 0.0443 -0.0269 -0.0349 79 GLN B N 1180 C CA . GLN B 79 ? 0.3647 0.2322 0.3565 0.0433 -0.0196 -0.0392 79 GLN B CA 1181 C C . GLN B 79 ? 0.3364 0.2160 0.3530 0.0482 -0.0158 -0.0534 79 GLN B C 1182 O O . GLN B 79 ? 0.3413 0.2108 0.3579 0.0428 -0.0039 -0.0620 79 GLN B O 1183 C CB . GLN B 79 ? 0.3737 0.2186 0.3637 0.0540 -0.0227 -0.0267 79 GLN B CB 1184 C CG . GLN B 79 ? 0.4708 0.2929 0.4434 0.0431 -0.0189 -0.0110 79 GLN B CG 1185 C CD . GLN B 79 ? 0.4887 0.2835 0.4570 0.0538 -0.0212 0.0070 79 GLN B CD 1186 O OE1 . GLN B 79 ? 0.5675 0.3706 0.5325 0.0717 -0.0296 0.0155 79 GLN B OE1 1187 N NE2 . GLN B 79 ? 0.5684 0.3278 0.5360 0.0425 -0.0160 0.0134 79 GLN B NE2 1188 N N . GLU B 80 ? 0.3143 0.2170 0.3515 0.0580 -0.0262 -0.0548 80 GLU B N 1189 C CA . GLU B 80 ? 0.3101 0.2325 0.3830 0.0606 -0.0222 -0.0644 80 GLU B CA 1190 C C . GLU B 80 ? 0.2709 0.2013 0.3431 0.0468 -0.0136 -0.0719 80 GLU B C 1191 O O . GLU B 80 ? 0.2741 0.2087 0.3649 0.0455 0.0012 -0.0765 80 GLU B O 1192 C CB . GLU B 80 ? 0.3183 0.2666 0.4179 0.0703 -0.0423 -0.0644 80 GLU B CB 1193 C CG . GLU B 80 ? 0.4220 0.3630 0.5194 0.0872 -0.0535 -0.0542 80 GLU B CG 1194 C CD . GLU B 80 ? 0.5787 0.5462 0.7243 0.1008 -0.0649 -0.0558 80 GLU B CD 1195 O OE1 . GLU B 80 ? 0.6203 0.5916 0.7979 0.1054 -0.0478 -0.0581 80 GLU B OE1 1196 O OE2 . GLU B 80 ? 0.6431 0.6281 0.7943 0.1084 -0.0909 -0.0549 80 GLU B OE2 1197 N N . ALA B 81 ? 0.2648 0.1958 0.3135 0.0388 -0.0203 -0.0713 81 ALA B N 1198 C CA . ALA B 81 ? 0.2287 0.1632 0.2746 0.0280 -0.0132 -0.0766 81 ALA B CA 1199 C C . ALA B 81 ? 0.2518 0.1691 0.2811 0.0223 0.0027 -0.0765 81 ALA B C 1200 O O . ALA B 81 ? 0.2402 0.1580 0.2744 0.0187 0.0146 -0.0799 81 ALA B O 1201 C CB . ALA B 81 ? 0.2090 0.1452 0.2311 0.0253 -0.0223 -0.0756 81 ALA B CB 1202 N N . ILE B 82 ? 0.2625 0.1614 0.2700 0.0214 0.0021 -0.0723 82 ILE B N 1203 C CA . ILE B 82 ? 0.2832 0.1619 0.2713 0.0155 0.0111 -0.0761 82 ILE B CA 1204 C C . ILE B 82 ? 0.3080 0.1773 0.3024 0.0238 0.0251 -0.0829 82 ILE B C 1205 O O . ILE B 82 ? 0.3120 0.1723 0.2895 0.0220 0.0364 -0.0880 82 ILE B O 1206 C CB . ILE B 82 ? 0.3147 0.1727 0.2875 0.0108 0.0049 -0.0712 82 ILE B CB 1207 C CG1 . ILE B 82 ? 0.3205 0.1925 0.2882 0.0022 -0.0025 -0.0618 82 ILE B CG1 1208 C CG2 . ILE B 82 ? 0.3650 0.1934 0.3164 0.0060 0.0087 -0.0802 82 ILE B CG2 1209 C CD1 . ILE B 82 ? 0.3974 0.2565 0.3635 -0.0012 -0.0069 -0.0501 82 ILE B CD1 1210 N N . GLU B 83 ? 0.2864 0.1569 0.3020 0.0357 0.0258 -0.0820 83 GLU B N 1211 C CA . GLU B 83 ? 0.2900 0.1536 0.3143 0.0476 0.0433 -0.0877 83 GLU B CA 1212 C C . GLU B 83 ? 0.2855 0.1740 0.3314 0.0461 0.0573 -0.0874 83 GLU B C 1213 O O . GLU B 83 ? 0.3053 0.1858 0.3422 0.0519 0.0778 -0.0904 83 GLU B O 1214 C CB . GLU B 83 ? 0.2872 0.1534 0.3391 0.0636 0.0411 -0.0848 83 GLU B CB 1215 C CG . GLU B 83 ? 0.3302 0.1600 0.3570 0.0656 0.0322 -0.0832 83 GLU B CG 1216 C CD . GLU B 83 ? 0.3840 0.2030 0.4291 0.0860 0.0357 -0.0819 83 GLU B CD 1217 O OE1 . GLU B 83 ? 0.3850 0.2341 0.4699 0.0995 0.0423 -0.0807 83 GLU B OE1 1218 O OE2 . GLU B 83 ? 0.4237 0.2035 0.4485 0.0891 0.0320 -0.0814 83 GLU B OE2 1219 N N . HIS B 84 ? 0.2581 0.1741 0.3329 0.0398 0.0471 -0.0834 84 HIS B N 1220 C CA . HIS B 84 ? 0.2516 0.1873 0.3535 0.0350 0.0597 -0.0812 84 HIS B CA 1221 C C . HIS B 84 ? 0.2623 0.1818 0.3266 0.0265 0.0686 -0.0806 84 HIS B C 1222 O O . HIS B 84 ? 0.2848 0.2032 0.3485 0.0283 0.0908 -0.0773 84 HIS B O 1223 C CB . HIS B 84 ? 0.2215 0.1832 0.3616 0.0280 0.0414 -0.0802 84 HIS B CB 1224 C CG . HIS B 84 ? 0.2055 0.1933 0.3984 0.0368 0.0347 -0.0794 84 HIS B CG 1225 N ND1 . HIS B 84 ? 0.2439 0.2542 0.4865 0.0408 0.0534 -0.0753 84 HIS B ND1 1226 C CD2 . HIS B 84 ? 0.2379 0.2349 0.4424 0.0442 0.0112 -0.0803 84 HIS B CD2 1227 C CE1 . HIS B 84 ? 0.2062 0.2418 0.4953 0.0496 0.0396 -0.0747 84 HIS B CE1 1228 N NE2 . HIS B 84 ? 0.2195 0.2457 0.4830 0.0523 0.0122 -0.0780 84 HIS B NE2 1229 N N . LEU B 85 ? 0.2554 0.1649 0.2901 0.0188 0.0526 -0.0816 85 LEU B N 1230 C CA . LEU B 85 ? 0.3112 0.2082 0.3126 0.0124 0.0570 -0.0800 85 LEU B CA 1231 C C . LEU B 85 ? 0.3500 0.2236 0.3148 0.0183 0.0705 -0.0835 85 LEU B C 1232 O O . LEU B 85 ? 0.3884 0.2547 0.3330 0.0194 0.0842 -0.0801 85 LEU B O 1233 C CB . LEU B 85 ? 0.2788 0.1745 0.2621 0.0057 0.0387 -0.0795 85 LEU B CB 1234 C CG . LEU B 85 ? 0.2886 0.2014 0.2947 0.0034 0.0268 -0.0784 85 LEU B CG 1235 C CD1 . LEU B 85 ? 0.3191 0.2317 0.3061 0.0018 0.0139 -0.0766 85 LEU B CD1 1236 C CD2 . LEU B 85 ? 0.2779 0.1921 0.2920 -0.0007 0.0333 -0.0758 85 LEU B CD2 1237 N N . ARG B 86 ? 0.3722 0.2295 0.3245 0.0236 0.0666 -0.0902 86 ARG B N 1238 C CA . ARG B 86 ? 0.4206 0.2479 0.3316 0.0314 0.0772 -0.0983 86 ARG B CA 1239 C C . ARG B 86 ? 0.4470 0.2767 0.3651 0.0459 0.1062 -0.0972 86 ARG B C 1240 O O . ARG B 86 ? 0.5064 0.3152 0.3817 0.0535 0.1210 -0.1005 86 ARG B O 1241 C CB . ARG B 86 ? 0.4387 0.2406 0.3363 0.0330 0.0648 -0.1072 86 ARG B CB 1242 C CG . ARG B 86 ? 0.4602 0.2574 0.3488 0.0177 0.0405 -0.1061 86 ARG B CG 1243 C CD . ARG B 86 ? 0.5781 0.3397 0.4492 0.0173 0.0310 -0.1153 86 ARG B CD 1244 N NE . ARG B 86 ? 0.6755 0.4351 0.5480 0.0001 0.0096 -0.1113 86 ARG B NE 1245 C CZ . ARG B 86 ? 0.7432 0.4963 0.5934 -0.0113 -0.0040 -0.1155 86 ARG B CZ 1246 N NH1 . ARG B 86 ? 0.7274 0.4860 0.5920 -0.0277 -0.0220 -0.1093 86 ARG B NH1 1247 N NH2 . ARG B 86 ? 0.7835 0.5265 0.5981 -0.0053 0.0005 -0.1242 86 ARG B NH2 1248 N N . ALA B 87 ? 0.4139 0.2702 0.3851 0.0510 0.1146 -0.0919 87 ALA B N 1249 C CA . ALA B 87 ? 0.4206 0.2913 0.4166 0.0636 0.1456 -0.0862 87 ALA B CA 1250 C C . ALA B 87 ? 0.4214 0.3040 0.4202 0.0560 0.1610 -0.0743 87 ALA B C 1251 O O . ALA B 87 ? 0.4262 0.3140 0.4303 0.0657 0.1921 -0.0666 87 ALA B O 1252 C CB . ALA B 87 ? 0.3809 0.2845 0.4446 0.0683 0.1449 -0.0819 87 ALA B CB 1253 N N . SER B 88 ? 0.4224 0.3089 0.4202 0.0402 0.1423 -0.0706 88 SER B N 1254 C CA . SER B 88 ? 0.4523 0.3429 0.4513 0.0344 0.1585 -0.0573 88 SER B CA 1255 C C . SER B 88 ? 0.5147 0.3740 0.4421 0.0446 0.1743 -0.0568 88 SER B C 1256 O O . SER B 88 ? 0.5778 0.4359 0.4976 0.0483 0.2008 -0.0429 88 SER B O 1257 C CB . SER B 88 ? 0.4293 0.3267 0.4429 0.0187 0.1359 -0.0543 88 SER B CB 1258 O OG . SER B 88 ? 0.4500 0.3276 0.4136 0.0170 0.1180 -0.0596 88 SER B OG # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 1 SER SER A . n A 1 2 GLY 2 2 2 GLY GLY A . n A 1 3 HIS 3 3 3 HIS HIS A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 ALA 5 5 5 ALA ALA A . n A 1 6 HIS 6 6 6 HIS HIS A . n A 1 7 VAL 7 7 7 VAL VAL A . n A 1 8 ASP 8 8 8 ASP ASP A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 ALA 10 10 10 ALA ALA A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 LYS 12 12 12 LYS LYS A . n A 1 13 HIS 13 13 13 HIS HIS A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 HIS 20 20 20 HIS HIS A . n A 1 21 GLY 21 21 21 GLY GLY A . n A 1 22 LYS 22 22 22 LYS LYS A . n A 1 23 GLU 23 23 23 GLU GLU A . n A 1 24 GLY 24 24 24 GLY GLY A . n A 1 25 HIS 25 25 25 HIS HIS A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 GLN 28 28 28 GLN GLN A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 GLU 31 31 31 GLU GLU A . n A 1 32 HIS 32 32 32 HIS HIS A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 LYS 34 34 34 LYS LYS A . n A 1 35 GLU 35 35 35 GLU GLU A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 THR 38 38 38 THR THR A . n A 1 39 HIS 39 39 39 HIS HIS A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 LYS 41 41 41 LYS LYS A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 ALA 43 43 43 ALA ALA A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 GLU 45 45 ? ? ? A . n A 1 46 ALA 46 46 ? ? ? A . n A 1 47 GLY 47 47 ? ? ? A . n A 1 48 GLY 48 48 ? ? ? A . n A 1 49 ASN 49 49 ? ? ? A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 HIS 51 51 51 HIS HIS A . n A 1 52 VAL 52 52 52 VAL VAL A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 HIS 54 54 54 HIS HIS A . n A 1 55 GLY 55 55 55 GLY GLY A . n A 1 56 ILE 56 56 56 ILE ILE A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 HIS 58 58 58 HIS HIS A . n A 1 59 LEU 59 59 59 LEU LEU A . n A 1 60 GLU 60 60 60 GLU GLU A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 ILE 63 63 63 ILE ILE A . n A 1 64 LYS 64 64 64 LYS LYS A . n A 1 65 HIS 65 65 65 HIS HIS A . n A 1 66 GLY 66 66 66 GLY GLY A . n A 1 67 GLU 67 67 67 GLU GLU A . n A 1 68 GLU 68 68 68 GLU GLU A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 HIS 70 70 70 HIS HIS A . n A 1 71 VAL 71 71 71 VAL VAL A . n A 1 72 GLY 72 72 72 GLY GLY A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 ALA 74 74 74 ALA ALA A . n A 1 75 THR 75 75 75 THR THR A . n A 1 76 LYS 76 76 76 LYS LYS A . n A 1 77 HIS 77 77 77 HIS HIS A . n A 1 78 ALA 78 78 78 ALA ALA A . n A 1 79 GLN 79 79 79 GLN GLN A . n A 1 80 GLU 80 80 80 GLU GLU A . n A 1 81 ALA 81 81 81 ALA ALA A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 HIS 84 84 84 HIS HIS A . n A 1 85 LEU 85 85 85 LEU LEU A . n A 1 86 ARG 86 86 86 ARG ARG A . n A 1 87 ALA 87 87 87 ALA ALA A . n A 1 88 SER 88 88 88 SER SER A . n A 1 89 GLU 89 89 ? ? ? A . n A 1 90 HIS 90 90 ? ? ? A . n A 1 91 LYS 91 91 ? ? ? A . n A 1 92 SER 92 92 ? ? ? A . n A 1 93 HIS 93 93 ? ? ? A . n B 1 1 SER 1 1 1 SER SER B . n B 1 2 GLY 2 2 2 GLY GLY B . n B 1 3 HIS 3 3 3 HIS HIS B . n B 1 4 THR 4 4 4 THR THR B . n B 1 5 ALA 5 5 5 ALA ALA B . n B 1 6 HIS 6 6 6 HIS HIS B . n B 1 7 VAL 7 7 7 VAL VAL B . n B 1 8 ASP 8 8 8 ASP ASP B . n B 1 9 GLU 9 9 9 GLU GLU B . n B 1 10 ALA 10 10 10 ALA ALA B . n B 1 11 VAL 11 11 11 VAL VAL B . n B 1 12 LYS 12 12 12 LYS LYS B . n B 1 13 HIS 13 13 13 HIS HIS B . n B 1 14 ALA 14 14 14 ALA ALA B . n B 1 15 GLU 15 15 15 GLU GLU B . n B 1 16 GLU 16 16 16 GLU GLU B . n B 1 17 ALA 17 17 17 ALA ALA B . n B 1 18 VAL 18 18 18 VAL VAL B . n B 1 19 ALA 19 19 19 ALA ALA B . n B 1 20 HIS 20 20 20 HIS HIS B . n B 1 21 GLY 21 21 21 GLY GLY B . n B 1 22 LYS 22 22 22 LYS LYS B . n B 1 23 GLU 23 23 23 GLU GLU B . n B 1 24 GLY 24 24 24 GLY GLY B . n B 1 25 HIS 25 25 25 HIS HIS B . n B 1 26 THR 26 26 26 THR THR B . n B 1 27 ASP 27 27 27 ASP ASP B . n B 1 28 GLN 28 28 28 GLN GLN B . n B 1 29 LEU 29 29 29 LEU LEU B . n B 1 30 LEU 30 30 30 LEU LEU B . n B 1 31 GLU 31 31 31 GLU GLU B . n B 1 32 HIS 32 32 32 HIS HIS B . n B 1 33 ALA 33 33 33 ALA ALA B . n B 1 34 LYS 34 34 34 LYS LYS B . n B 1 35 GLU 35 35 35 GLU GLU B . n B 1 36 SER 36 36 36 SER SER B . n B 1 37 LEU 37 37 37 LEU LEU B . n B 1 38 THR 38 38 38 THR THR B . n B 1 39 HIS 39 39 39 HIS HIS B . n B 1 40 ALA 40 40 40 ALA ALA B . n B 1 41 LYS 41 41 41 LYS LYS B . n B 1 42 ALA 42 42 42 ALA ALA B . n B 1 43 ALA 43 43 43 ALA ALA B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 GLU 45 45 ? ? ? B . n B 1 46 ALA 46 46 ? ? ? B . n B 1 47 GLY 47 47 ? ? ? B . n B 1 48 GLY 48 48 ? ? ? B . n B 1 49 ASN 49 49 ? ? ? B . n B 1 50 THR 50 50 50 THR THR B . n B 1 51 HIS 51 51 51 HIS HIS B . n B 1 52 VAL 52 52 52 VAL VAL B . n B 1 53 GLY 53 53 53 GLY GLY B . n B 1 54 HIS 54 54 54 HIS HIS B . n B 1 55 GLY 55 55 55 GLY GLY B . n B 1 56 ILE 56 56 56 ILE ILE B . n B 1 57 LYS 57 57 57 LYS LYS B . n B 1 58 HIS 58 58 58 HIS HIS B . n B 1 59 LEU 59 59 59 LEU LEU B . n B 1 60 GLU 60 60 60 GLU GLU B . n B 1 61 ASP 61 61 61 ASP ASP B . n B 1 62 ALA 62 62 62 ALA ALA B . n B 1 63 ILE 63 63 63 ILE ILE B . n B 1 64 LYS 64 64 64 LYS LYS B . n B 1 65 HIS 65 65 65 HIS HIS B . n B 1 66 GLY 66 66 66 GLY GLY B . n B 1 67 GLU 67 67 67 GLU GLU B . n B 1 68 GLU 68 68 68 GLU GLU B . n B 1 69 GLY 69 69 69 GLY GLY B . n B 1 70 HIS 70 70 70 HIS HIS B . n B 1 71 VAL 71 71 71 VAL VAL B . n B 1 72 GLY 72 72 72 GLY GLY B . n B 1 73 VAL 73 73 73 VAL VAL B . n B 1 74 ALA 74 74 74 ALA ALA B . n B 1 75 THR 75 75 75 THR THR B . n B 1 76 LYS 76 76 76 LYS LYS B . n B 1 77 HIS 77 77 77 HIS HIS B . n B 1 78 ALA 78 78 78 ALA ALA B . n B 1 79 GLN 79 79 79 GLN GLN B . n B 1 80 GLU 80 80 80 GLU GLU B . n B 1 81 ALA 81 81 81 ALA ALA B . n B 1 82 ILE 82 82 82 ILE ILE B . n B 1 83 GLU 83 83 83 GLU GLU B . n B 1 84 HIS 84 84 84 HIS HIS B . n B 1 85 LEU 85 85 85 LEU LEU B . n B 1 86 ARG 86 86 86 ARG ARG B . n B 1 87 ALA 87 87 87 ALA ALA B . n B 1 88 SER 88 88 88 SER SER B . n B 1 89 GLU 89 89 ? ? ? B . n B 1 90 HIS 90 90 ? ? ? B . n B 1 91 LYS 91 91 ? ? ? B . n B 1 92 SER 92 92 ? ? ? B . n B 1 93 HIS 93 93 ? ? ? B . n # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 3 software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D 2 1 B,E 3 1 A,B,C,D,E # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 3 'ABSA (A^2)' 810 ? 3 MORE -14 ? 3 'SSA (A^2)' 7980 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 N ? A SER 1 ? A SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 N ? B SER 1 ? B SER 1 ? 1_555 160.0 ? 2 N ? A SER 1 ? A SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? A HIS 6 ? A HIS 6 ? 1_555 98.3 ? 3 N ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? A HIS 6 ? A HIS 6 ? 1_555 96.6 ? 4 N ? A SER 1 ? A SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? B SER 1 ? B SER 1 ? 1_555 89.7 ? 5 N ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? B SER 1 ? B SER 1 ? 1_555 75.3 ? 6 NE2 ? A HIS 6 ? A HIS 6 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? B SER 1 ? B SER 1 ? 1_555 171.9 ? 7 N ? A SER 1 ? A SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? B HIS 6 ? B HIS 6 ? 1_555 93.4 ? 8 N ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? B HIS 6 ? B HIS 6 ? 1_555 99.2 ? 9 NE2 ? A HIS 6 ? A HIS 6 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? B HIS 6 ? B HIS 6 ? 1_555 92.7 ? 10 O ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 NE2 ? B HIS 6 ? B HIS 6 ? 1_555 88.2 ? 11 N ? A SER 1 ? A SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? A SER 1 ? A SER 1 ? 1_555 80.1 ? 12 N ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? A SER 1 ? A SER 1 ? 1_555 86.0 ? 13 NE2 ? A HIS 6 ? A HIS 6 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? A SER 1 ? A SER 1 ? 1_555 92.2 ? 14 O ? B SER 1 ? B SER 1 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? A SER 1 ? A SER 1 ? 1_555 87.7 ? 15 NE2 ? B HIS 6 ? B HIS 6 ? 1_555 NI ? C NI . ? A NI 94 ? 1_555 O ? A SER 1 ? A SER 1 ? 1_555 172.4 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-11-09 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -0.7389 -12.2269 10.0138 -0.1355 -0.1369 -0.0701 -0.0067 -0.0108 0.0112 3.8573 1.6708 4.5633 -0.4139 -0.8883 0.7213 -0.0289 0.1417 -0.1890 0.1380 -0.0323 -0.0098 0.0778 0.2741 0.0612 'X-RAY DIFFRACTION' 2 ? refined -15.1109 4.5214 12.5569 -0.0423 -0.1029 -0.0880 0.0251 -0.0201 -0.0613 4.1253 5.8558 3.9078 -1.7613 0.2611 -0.9773 0.1876 0.4000 0.1089 -0.3167 -0.2748 0.2815 -0.0929 0.0759 0.0872 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 1 ? ? A 88 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 1 ? ? B 88 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal ADSC 'data collection' Quantum ? 1 SOLVE phasing . ? 2 REFMAC refinement 5.2.0005 ? 3 MOSFLM 'data reduction' . ? 4 SCALA 'data scaling' . ? 5 # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id HIS _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 70 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -112.21 _pdbx_validate_torsion.psi 78.83 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 45 ? A GLU 45 2 1 Y 1 A ALA 46 ? A ALA 46 3 1 Y 1 A GLY 47 ? A GLY 47 4 1 Y 1 A GLY 48 ? A GLY 48 5 1 Y 1 A ASN 49 ? A ASN 49 6 1 Y 1 A GLU 89 ? A GLU 89 7 1 Y 1 A HIS 90 ? A HIS 90 8 1 Y 1 A LYS 91 ? A LYS 91 9 1 Y 1 A SER 92 ? A SER 92 10 1 Y 1 A HIS 93 ? A HIS 93 11 1 Y 1 B GLU 45 ? B GLU 45 12 1 Y 1 B ALA 46 ? B ALA 46 13 1 Y 1 B GLY 47 ? B GLY 47 14 1 Y 1 B GLY 48 ? B GLY 48 15 1 Y 1 B ASN 49 ? B ASN 49 16 1 Y 1 B GLU 89 ? B GLU 89 17 1 Y 1 B HIS 90 ? B HIS 90 18 1 Y 1 B LYS 91 ? B LYS 91 19 1 Y 1 B SER 92 ? B SER 92 20 1 Y 1 B HIS 93 ? B HIS 93 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'NICKEL (II) ION' NI 3 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NI 1 94 1 NI NI A . D 3 HOH 1 95 95 HOH HOH A . D 3 HOH 2 96 2 HOH HOH A . D 3 HOH 3 97 97 HOH HOH A . D 3 HOH 4 98 3 HOH HOH A . D 3 HOH 5 99 7 HOH HOH A . D 3 HOH 6 100 9 HOH HOH A . D 3 HOH 7 101 10 HOH HOH A . D 3 HOH 8 102 11 HOH HOH A . D 3 HOH 9 103 12 HOH HOH A . D 3 HOH 10 104 14 HOH HOH A . D 3 HOH 11 105 15 HOH HOH A . D 3 HOH 12 106 16 HOH HOH A . D 3 HOH 13 107 18 HOH HOH A . D 3 HOH 14 108 20 HOH HOH A . D 3 HOH 15 109 21 HOH HOH A . D 3 HOH 16 110 22 HOH HOH A . D 3 HOH 17 111 26 HOH HOH A . D 3 HOH 18 112 29 HOH HOH A . D 3 HOH 19 113 32 HOH HOH A . D 3 HOH 20 114 34 HOH HOH A . D 3 HOH 21 115 36 HOH HOH A . D 3 HOH 22 116 37 HOH HOH A . D 3 HOH 23 117 38 HOH HOH A . D 3 HOH 24 118 39 HOH HOH A . D 3 HOH 25 119 41 HOH HOH A . D 3 HOH 26 120 45 HOH HOH A . D 3 HOH 27 121 46 HOH HOH A . D 3 HOH 28 122 47 HOH HOH A . D 3 HOH 29 123 48 HOH HOH A . D 3 HOH 30 124 49 HOH HOH A . D 3 HOH 31 125 52 HOH HOH A . D 3 HOH 32 126 58 HOH HOH A . D 3 HOH 33 127 59 HOH HOH A . D 3 HOH 34 128 60 HOH HOH A . D 3 HOH 35 129 61 HOH HOH A . D 3 HOH 36 130 67 HOH HOH A . D 3 HOH 37 131 71 HOH HOH A . D 3 HOH 38 132 72 HOH HOH A . D 3 HOH 39 133 73 HOH HOH A . D 3 HOH 40 134 74 HOH HOH A . D 3 HOH 41 135 75 HOH HOH A . D 3 HOH 42 136 76 HOH HOH A . D 3 HOH 43 137 77 HOH HOH A . D 3 HOH 44 138 79 HOH HOH A . D 3 HOH 45 139 80 HOH HOH A . D 3 HOH 46 140 81 HOH HOH A . D 3 HOH 47 141 82 HOH HOH A . D 3 HOH 48 142 83 HOH HOH A . D 3 HOH 49 143 85 HOH HOH A . D 3 HOH 50 144 86 HOH HOH A . D 3 HOH 51 145 87 HOH HOH A . D 3 HOH 52 146 88 HOH HOH A . D 3 HOH 53 147 89 HOH HOH A . D 3 HOH 54 148 90 HOH HOH A . D 3 HOH 55 149 91 HOH HOH A . E 3 HOH 1 94 94 HOH HOH B . E 3 HOH 2 95 1 HOH HOH B . E 3 HOH 3 96 96 HOH HOH B . E 3 HOH 4 97 4 HOH HOH B . E 3 HOH 5 98 5 HOH HOH B . E 3 HOH 6 99 6 HOH HOH B . E 3 HOH 7 100 8 HOH HOH B . E 3 HOH 8 101 13 HOH HOH B . E 3 HOH 9 102 17 HOH HOH B . E 3 HOH 10 103 19 HOH HOH B . E 3 HOH 11 104 23 HOH HOH B . E 3 HOH 12 105 24 HOH HOH B . E 3 HOH 13 106 25 HOH HOH B . E 3 HOH 14 107 27 HOH HOH B . E 3 HOH 15 108 28 HOH HOH B . E 3 HOH 16 109 30 HOH HOH B . E 3 HOH 17 110 31 HOH HOH B . E 3 HOH 18 111 33 HOH HOH B . E 3 HOH 19 112 35 HOH HOH B . E 3 HOH 20 113 40 HOH HOH B . E 3 HOH 21 114 42 HOH HOH B . E 3 HOH 22 115 43 HOH HOH B . E 3 HOH 23 116 44 HOH HOH B . E 3 HOH 24 117 50 HOH HOH B . E 3 HOH 25 118 51 HOH HOH B . E 3 HOH 26 119 53 HOH HOH B . E 3 HOH 27 120 54 HOH HOH B . E 3 HOH 28 121 55 HOH HOH B . E 3 HOH 29 122 56 HOH HOH B . E 3 HOH 30 123 57 HOH HOH B . E 3 HOH 31 124 62 HOH HOH B . E 3 HOH 32 125 63 HOH HOH B . E 3 HOH 33 126 64 HOH HOH B . E 3 HOH 34 127 65 HOH HOH B . E 3 HOH 35 128 66 HOH HOH B . E 3 HOH 36 129 68 HOH HOH B . E 3 HOH 37 130 69 HOH HOH B . E 3 HOH 38 131 70 HOH HOH B . E 3 HOH 39 132 78 HOH HOH B . E 3 HOH 40 133 84 HOH HOH B . E 3 HOH 41 134 92 HOH HOH B . E 3 HOH 42 135 93 HOH HOH B . # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/3zee.cif ================================================ data_3ZEE # _entry.id 3ZEE # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3ZEE PDBE EBI-54961 WWPDB D_1290054961 # _pdbx_database_related.db_name EMDB _pdbx_database_related.db_id EMD-2237 _pdbx_database_related.content_type 'associated EM volume' _pdbx_database_related.details 'ELECTRON CYRO-MICROSCOPY HELICAL RECONSTRUCTION OF PAR-3 N-TERMINAL DOMAIN' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3ZEE _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2012-12-05 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, Y.' 1 'Wang, W.' 2 'Chen, J.' 3 'Zhang, K.' 4 'Gao, F.' 5 'Gong, W.' 6 'Zhang, M.' 7 'Sun, F.' 8 'Feng, W.' 9 # _citation.id primary _citation.title 'Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.' _citation.journal_abbrev Structure _citation.journal_volume 21 _citation.page_first 997 _citation.page_last ? _citation.year 2013 _citation.journal_id_ASTM STRUE6 _citation.country UK _citation.journal_id_ISSN 0969-2126 _citation.journal_id_CSD 2005 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23643951 _citation.pdbx_database_id_DOI 10.1016/J.STR.2013.04.004 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, Y.' 1 primary 'Wang, W.' 2 primary 'Chen, J.' 3 primary 'Zhang, K.' 4 primary 'Gao, F.' 5 primary 'Gao, B.' 6 primary 'Zhang, S.' 7 primary 'Dong, M.' 8 primary 'Besenbacher, F.' 9 primary 'Gong, W.' 10 primary 'Zhang, M.' 11 primary 'Sun, F.' 12 primary 'Feng, W.' 13 # _cell.entry_id 3ZEE _cell.length_a 1.000 _cell.length_b 1.000 _cell.length_c 1.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _symmetry.entry_id 3ZEE _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description 'PARTITIONING DEFECTIVE 3 HOMOLOG' _entity.formula_weight 9552.906 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment 'N-TERMINAL DUF3534 DOMAIN, RESIDUES 2-82' _entity.details ? # _entity_name_com.entity_id 1 _entity_name_com.name 'PAR-3, PARD-3, ATYPICAL PKC ISOTYPE-SPECIFIC-INTERACTING PROTEIN, ASIP, ATYPICAL PKC-SPECIFIC-BINDING PROTEIN, ASBP' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;SEFKVTVCFGRTRVVVPCGDGRMKVFSLIQQAVTRYRKAVAKDPNYWIQVHRLEHGDGGILDLDDILCDVADDKDRLVAV FDEQ ; _entity_poly.pdbx_seq_one_letter_code_can ;SEFKVTVCFGRTRVVVPCGDGRMKVFSLIQQAVTRYRKAVAKDPNYWIQVHRLEHGDGGILDLDDILCDVADDKDRLVAV FDEQ ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLU n 1 3 PHE n 1 4 LYS n 1 5 VAL n 1 6 THR n 1 7 VAL n 1 8 CYS n 1 9 PHE n 1 10 GLY n 1 11 ARG n 1 12 THR n 1 13 ARG n 1 14 VAL n 1 15 VAL n 1 16 VAL n 1 17 PRO n 1 18 CYS n 1 19 GLY n 1 20 ASP n 1 21 GLY n 1 22 ARG n 1 23 MET n 1 24 LYS n 1 25 VAL n 1 26 PHE n 1 27 SER n 1 28 LEU n 1 29 ILE n 1 30 GLN n 1 31 GLN n 1 32 ALA n 1 33 VAL n 1 34 THR n 1 35 ARG n 1 36 TYR n 1 37 ARG n 1 38 LYS n 1 39 ALA n 1 40 VAL n 1 41 ALA n 1 42 LYS n 1 43 ASP n 1 44 PRO n 1 45 ASN n 1 46 TYR n 1 47 TRP n 1 48 ILE n 1 49 GLN n 1 50 VAL n 1 51 HIS n 1 52 ARG n 1 53 LEU n 1 54 GLU n 1 55 HIS n 1 56 GLY n 1 57 ASP n 1 58 GLY n 1 59 GLY n 1 60 ILE n 1 61 LEU n 1 62 ASP n 1 63 LEU n 1 64 ASP n 1 65 ASP n 1 66 ILE n 1 67 LEU n 1 68 CYS n 1 69 ASP n 1 70 VAL n 1 71 ALA n 1 72 ASP n 1 73 ASP n 1 74 LYS n 1 75 ASP n 1 76 ARG n 1 77 LEU n 1 78 VAL n 1 79 ALA n 1 80 VAL n 1 81 PHE n 1 82 ASP n 1 83 GLU n 1 84 GLN n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'NORWAY RAT' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'RATTUS NORVEGICUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10116 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'ESCHERICHIA COLI' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 511693 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain BL21 _entity_src_gen.pdbx_host_org_variant CODONPLUS _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector PET32A _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PARD3_RAT _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession Q9Z340 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3ZEE _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 4 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 84 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q9Z340 _struct_ref_seq.db_align_beg 2 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 82 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 2 _struct_ref_seq.pdbx_auth_seq_align_end 82 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3ZEE SER A 1 ? UNP Q9Z340 ? ? 'expression tag' -1 1 1 3ZEE GLU A 2 ? UNP Q9Z340 ? ? 'expression tag' 0 2 1 3ZEE PHE A 3 ? UNP Q9Z340 ? ? 'expression tag' 1 3 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3ZEE _exptl.method 'ELECTRON MICROSCOPY' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews ? _exptl_crystal.density_percent_sol ? _exptl_crystal.description ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type ? # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.pdbx_refine_id 'ELECTRON MICROSCOPY' _refine.entry_id 3ZEE _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs ? _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low ? _refine.ls_d_res_high 6.10 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'ELECTRON MICROSCOPY' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 670 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 670 _refine_hist.d_res_high 6.10 _refine_hist.d_res_low . # _struct.entry_id 3ZEE _struct.title 'Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain' _struct.pdbx_descriptor 'PARTITIONING DEFECTIVE 3 HOMOLOG' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3ZEE _struct_keywords.pdbx_keywords 'CELL CYCLE' _struct_keywords.text 'CELL CYCLE' # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 VAL A 25 ? ALA A 41 ? VAL A 23 ALA A 39 1 ? 17 HELX_P HELX_P2 2 ILE A 66 ? ALA A 71 ? ILE A 64 ALA A 69 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 2 ? AB ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AB 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 LYS A 4 ? VAL A 7 ? LYS A 2 VAL A 5 AA 2 VAL A 14 ? PRO A 17 ? VAL A 12 PRO A 15 AB 1 GLN A 49 ? GLU A 54 ? GLN A 47 GLU A 52 AB 2 VAL A 78 ? ASP A 82 ? VAL A 76 ASP A 80 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N VAL A 7 ? N VAL A 5 O VAL A 14 ? O VAL A 12 AB 1 2 N GLU A 54 ? N GLU A 52 O VAL A 78 ? O VAL A 76 # _database_PDB_matrix.entry_id 3ZEE _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3ZEE _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? 20.382 16.896 -34.002 1.00 0.00 ? -1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? 19.728 15.758 -34.646 1.00 0.00 ? -1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? 18.471 15.425 -33.947 1.00 0.00 ? -1 SER A C 1 ATOM 4 O O . SER A 1 1 ? 17.479 16.154 -34.029 1.00 0.00 ? -1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? 20.622 14.513 -34.931 1.00 0.00 ? -1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? 21.783 14.909 -35.601 1.00 0.00 ? -1 SER A OG 1 ATOM 7 N N . GLU A 1 2 ? 18.487 14.327 -33.084 1.00 0.00 ? 0 GLU A N 1 ATOM 8 C CA . GLU A 1 2 ? 17.288 13.983 -32.291 1.00 0.00 ? 0 GLU A CA 1 ATOM 9 C C . GLU A 1 2 ? 17.770 13.581 -30.943 1.00 0.00 ? 0 GLU A C 1 ATOM 10 O O . GLU A 1 2 ? 16.983 13.807 -30.032 1.00 0.00 ? 0 GLU A O 1 ATOM 11 C CB . GLU A 1 2 ? 16.364 12.915 -32.947 1.00 0.00 ? 0 GLU A CB 1 ATOM 12 C CG . GLU A 1 2 ? 16.173 13.057 -34.489 1.00 0.00 ? 0 GLU A CG 1 ATOM 13 C CD . GLU A 1 2 ? 15.588 14.241 -35.149 1.00 0.00 ? 0 GLU A CD 1 ATOM 14 O OE1 . GLU A 1 2 ? 14.535 14.779 -34.644 1.00 0.00 ? 0 GLU A OE1 1 ATOM 15 O OE2 . GLU A 1 2 ? 16.093 14.752 -36.176 1.00 0.00 ? 0 GLU A OE2 1 ATOM 16 N N . PHE A 1 3 ? 18.957 13.093 -30.702 1.00 0.00 ? 1 PHE A N 1 ATOM 17 C CA . PHE A 1 3 ? 19.586 12.794 -29.422 1.00 0.00 ? 1 PHE A CA 1 ATOM 18 C C . PHE A 1 3 ? 19.718 14.023 -28.465 1.00 0.00 ? 1 PHE A C 1 ATOM 19 O O . PHE A 1 3 ? 20.241 15.066 -28.884 1.00 0.00 ? 1 PHE A O 1 ATOM 20 C CB . PHE A 1 3 ? 20.987 12.333 -29.765 1.00 0.00 ? 1 PHE A CB 1 ATOM 21 C CG . PHE A 1 3 ? 21.388 11.213 -28.851 1.00 0.00 ? 1 PHE A CG 1 ATOM 22 C CD1 . PHE A 1 3 ? 21.012 9.906 -29.172 1.00 0.00 ? 1 PHE A CD1 1 ATOM 23 C CD2 . PHE A 1 3 ? 22.260 11.415 -27.808 1.00 0.00 ? 1 PHE A CD2 1 ATOM 24 C CE1 . PHE A 1 3 ? 21.479 8.815 -28.459 1.00 0.00 ? 1 PHE A CE1 1 ATOM 25 C CE2 . PHE A 1 3 ? 22.730 10.359 -27.057 1.00 0.00 ? 1 PHE A CE2 1 ATOM 26 C CZ . PHE A 1 3 ? 22.335 9.044 -27.355 1.00 0.00 ? 1 PHE A CZ 1 ATOM 27 N N . LYS A 1 4 ? 19.644 13.811 -27.139 1.00 0.00 ? 2 LYS A N 1 ATOM 28 C CA . LYS A 1 4 ? 20.075 14.724 -26.056 1.00 0.00 ? 2 LYS A CA 1 ATOM 29 C C . LYS A 1 4 ? 20.223 14.034 -24.690 1.00 0.00 ? 2 LYS A C 1 ATOM 30 O O . LYS A 1 4 ? 19.669 12.957 -24.420 1.00 0.00 ? 2 LYS A O 1 ATOM 31 C CB . LYS A 1 4 ? 19.030 15.968 -25.850 1.00 0.00 ? 2 LYS A CB 1 ATOM 32 C CG . LYS A 1 4 ? 18.779 16.959 -27.008 1.00 0.00 ? 2 LYS A CG 1 ATOM 33 C CD . LYS A 1 4 ? 17.830 18.126 -26.793 1.00 0.00 ? 2 LYS A CD 1 ATOM 34 C CE . LYS A 1 4 ? 17.612 19.095 -28.049 1.00 0.00 ? 2 LYS A CE 1 ATOM 35 N NZ . LYS A 1 4 ? 16.652 20.133 -27.665 1.00 0.00 ? 2 LYS A NZ 1 ATOM 36 N N . VAL A 1 5 ? 21.083 14.626 -23.810 1.00 0.00 ? 3 VAL A N 1 ATOM 37 C CA . VAL A 1 5 ? 21.387 13.974 -22.505 1.00 0.00 ? 3 VAL A CA 1 ATOM 38 C C . VAL A 1 5 ? 21.521 14.975 -21.388 1.00 0.00 ? 3 VAL A C 1 ATOM 39 O O . VAL A 1 5 ? 21.386 16.150 -21.610 1.00 0.00 ? 3 VAL A O 1 ATOM 40 C CB . VAL A 1 5 ? 22.656 13.153 -22.649 1.00 0.00 ? 3 VAL A CB 1 ATOM 41 C CG1 . VAL A 1 5 ? 22.679 12.163 -21.506 1.00 0.00 ? 3 VAL A CG1 1 ATOM 42 C CG2 . VAL A 1 5 ? 22.663 12.441 -24.037 1.00 0.00 ? 3 VAL A CG2 1 ATOM 43 N N . THR A 1 6 ? 21.777 14.537 -20.151 1.00 0.00 ? 4 THR A N 1 ATOM 44 C CA . THR A 1 6 ? 21.843 15.383 -18.942 1.00 0.00 ? 4 THR A CA 1 ATOM 45 C C . THR A 1 6 ? 23.000 15.044 -18.117 1.00 0.00 ? 4 THR A C 1 ATOM 46 O O . THR A 1 6 ? 23.151 14.024 -17.584 1.00 0.00 ? 4 THR A O 1 ATOM 47 C CB . THR A 1 6 ? 20.563 15.437 -18.062 1.00 0.00 ? 4 THR A CB 1 ATOM 48 O OG1 . THR A 1 6 ? 19.434 14.762 -18.577 1.00 0.00 ? 4 THR A OG1 1 ATOM 49 C CG2 . THR A 1 6 ? 20.088 16.887 -17.670 1.00 0.00 ? 4 THR A CG2 1 ATOM 50 N N . VAL A 1 7 ? 23.890 16.081 -17.907 1.00 0.00 ? 5 VAL A N 1 ATOM 51 C CA . VAL A 1 7 ? 25.037 15.986 -17.031 1.00 0.00 ? 5 VAL A CA 1 ATOM 52 C C . VAL A 1 7 ? 24.719 16.681 -15.714 1.00 0.00 ? 5 VAL A C 1 ATOM 53 O O . VAL A 1 7 ? 24.176 17.784 -15.837 1.00 0.00 ? 5 VAL A O 1 ATOM 54 C CB . VAL A 1 7 ? 26.267 16.647 -17.622 1.00 0.00 ? 5 VAL A CB 1 ATOM 55 C CG1 . VAL A 1 7 ? 27.418 16.965 -16.643 1.00 0.00 ? 5 VAL A CG1 1 ATOM 56 C CG2 . VAL A 1 7 ? 26.621 15.576 -18.661 1.00 0.00 ? 5 VAL A CG2 1 ATOM 57 N N . CYS A 1 8 ? 25.070 16.122 -14.506 1.00 0.00 ? 6 CYS A N 1 ATOM 58 C CA . CYS A 1 8 ? 24.741 16.931 -13.355 1.00 0.00 ? 6 CYS A CA 1 ATOM 59 C C . CYS A 1 8 ? 25.987 17.517 -12.778 1.00 0.00 ? 6 CYS A C 1 ATOM 60 O O . CYS A 1 8 ? 26.704 16.879 -11.978 1.00 0.00 ? 6 CYS A O 1 ATOM 61 C CB . CYS A 1 8 ? 23.939 16.138 -12.284 1.00 0.00 ? 6 CYS A CB 1 ATOM 62 S SG . CYS A 1 8 ? 22.796 14.919 -12.832 1.00 0.00 ? 6 CYS A SG 1 ATOM 63 N N . PHE A 1 9 ? 26.280 18.754 -13.158 1.00 0.00 ? 7 PHE A N 1 ATOM 64 C CA . PHE A 1 9 ? 27.436 19.430 -12.554 1.00 0.00 ? 7 PHE A CA 1 ATOM 65 C C . PHE A 1 9 ? 27.035 20.041 -11.185 1.00 0.00 ? 7 PHE A C 1 ATOM 66 O O . PHE A 1 9 ? 26.739 21.202 -11.132 1.00 0.00 ? 7 PHE A O 1 ATOM 67 C CB . PHE A 1 9 ? 28.120 20.621 -13.291 1.00 0.00 ? 7 PHE A CB 1 ATOM 68 C CG . PHE A 1 9 ? 28.826 20.205 -14.553 1.00 0.00 ? 7 PHE A CG 1 ATOM 69 C CD1 . PHE A 1 9 ? 29.629 19.007 -14.543 1.00 0.00 ? 7 PHE A CD1 1 ATOM 70 C CD2 . PHE A 1 9 ? 28.932 21.099 -15.638 1.00 0.00 ? 7 PHE A CD2 1 ATOM 71 C CE1 . PHE A 1 9 ? 30.350 18.710 -15.739 1.00 0.00 ? 7 PHE A CE1 1 ATOM 72 C CE2 . PHE A 1 9 ? 29.656 20.773 -16.741 1.00 0.00 ? 7 PHE A CE2 1 ATOM 73 C CZ . PHE A 1 9 ? 30.420 19.614 -16.772 1.00 0.00 ? 7 PHE A CZ 1 ATOM 74 N N . GLY A 1 10 ? 27.071 19.275 -10.086 1.00 0.00 ? 8 GLY A N 1 ATOM 75 C CA . GLY A 1 10 ? 26.750 19.861 -8.799 1.00 0.00 ? 8 GLY A CA 1 ATOM 76 C C . GLY A 1 10 ? 25.286 20.263 -8.838 1.00 0.00 ? 8 GLY A C 1 ATOM 77 O O . GLY A 1 10 ? 24.428 19.548 -9.319 1.00 0.00 ? 8 GLY A O 1 ATOM 78 N N . ARG A 1 11 ? 24.954 21.360 -8.200 1.00 0.00 ? 9 ARG A N 1 ATOM 79 C CA . ARG A 1 11 ? 23.600 21.877 -7.927 1.00 0.00 ? 9 ARG A CA 1 ATOM 80 C C . ARG A 1 11 ? 22.779 22.247 -9.183 1.00 0.00 ? 9 ARG A C 1 ATOM 81 O O . ARG A 1 11 ? 21.642 21.979 -9.339 1.00 0.00 ? 9 ARG A O 1 ATOM 82 C CB . ARG A 1 11 ? 23.462 23.235 -7.108 1.00 0.00 ? 9 ARG A CB 1 ATOM 83 C CG . ARG A 1 11 ? 24.479 23.509 -5.945 1.00 0.00 ? 9 ARG A CG 1 ATOM 84 C CD . ARG A 1 11 ? 24.314 22.951 -4.571 1.00 0.00 ? 9 ARG A CD 1 ATOM 85 N NE . ARG A 1 11 ? 23.768 21.519 -4.751 1.00 0.00 ? 9 ARG A NE 1 ATOM 86 C CZ . ARG A 1 11 ? 24.543 20.461 -5.064 1.00 0.00 ? 9 ARG A CZ 1 ATOM 87 N NH1 . ARG A 1 11 ? 25.865 20.651 -5.416 1.00 0.00 ? 9 ARG A NH1 1 ATOM 88 N NH2 . ARG A 1 11 ? 23.957 19.221 -5.058 1.00 0.00 ? 9 ARG A NH2 1 ATOM 89 N N . THR A 1 12 ? 23.434 22.729 -10.212 1.00 0.00 ? 10 THR A N 1 ATOM 90 C CA . THR A 1 12 ? 22.901 22.939 -11.482 1.00 0.00 ? 10 THR A CA 1 ATOM 91 C C . THR A 1 12 ? 23.088 21.736 -12.227 1.00 0.00 ? 10 THR A C 1 ATOM 92 O O . THR A 1 12 ? 24.086 21.111 -12.276 1.00 0.00 ? 10 THR A O 1 ATOM 93 C CB . THR A 1 12 ? 23.554 24.176 -12.094 1.00 0.00 ? 10 THR A CB 1 ATOM 94 O OG1 . THR A 1 12 ? 23.222 25.137 -11.190 1.00 0.00 ? 10 THR A OG1 1 ATOM 95 C CG2 . THR A 1 12 ? 22.813 24.549 -13.446 1.00 0.00 ? 10 THR A CG2 1 ATOM 96 N N . ARG A 1 13 ? 22.117 21.318 -12.944 1.00 0.00 ? 11 ARG A N 1 ATOM 97 C CA . ARG A 1 13 ? 22.256 20.188 -13.807 1.00 0.00 ? 11 ARG A CA 1 ATOM 98 C C . ARG A 1 13 ? 22.209 20.869 -15.033 1.00 0.00 ? 11 ARG A C 1 ATOM 99 O O . ARG A 1 13 ? 21.731 21.963 -15.199 1.00 0.00 ? 11 ARG A O 1 ATOM 100 C CB . ARG A 1 13 ? 21.095 19.217 -13.884 1.00 0.00 ? 11 ARG A CB 1 ATOM 101 C CG . ARG A 1 13 ? 19.638 19.748 -14.030 1.00 0.00 ? 11 ARG A CG 1 ATOM 102 C CD . ARG A 1 13 ? 18.841 20.271 -12.759 1.00 0.00 ? 11 ARG A CD 1 ATOM 103 N NE . ARG A 1 13 ? 18.809 19.153 -11.785 1.00 0.00 ? 11 ARG A NE 1 ATOM 104 C CZ . ARG A 1 13 ? 19.643 18.880 -10.729 1.00 0.00 ? 11 ARG A CZ 1 ATOM 105 N NH1 . ARG A 1 13 ? 20.580 19.776 -10.460 1.00 0.00 ? 11 ARG A NH1 1 ATOM 106 N NH2 . ARG A 1 13 ? 19.545 17.740 -10.004 1.00 0.00 ? 11 ARG A NH2 1 ATOM 107 N N . VAL A 1 14 ? 22.937 20.309 -15.984 1.00 0.00 ? 12 VAL A N 1 ATOM 108 C CA . VAL A 1 14 ? 23.104 21.019 -17.170 1.00 0.00 ? 12 VAL A CA 1 ATOM 109 C C . VAL A 1 14 ? 22.807 20.017 -18.184 1.00 0.00 ? 12 VAL A C 1 ATOM 110 O O . VAL A 1 14 ? 23.327 18.948 -18.198 1.00 0.00 ? 12 VAL A O 1 ATOM 111 C CB . VAL A 1 14 ? 24.475 21.513 -17.336 1.00 0.00 ? 12 VAL A CB 1 ATOM 112 C CG1 . VAL A 1 14 ? 25.542 20.486 -16.920 1.00 0.00 ? 12 VAL A CG1 1 ATOM 113 C CG2 . VAL A 1 14 ? 24.671 21.991 -18.776 1.00 0.00 ? 12 VAL A CG2 1 ATOM 114 N N . VAL A 1 15 ? 21.804 20.490 -18.916 1.00 0.00 ? 13 VAL A N 1 ATOM 115 C CA . VAL A 1 15 ? 21.093 19.910 -19.949 1.00 0.00 ? 13 VAL A CA 1 ATOM 116 C C . VAL A 1 15 ? 22.124 20.010 -21.006 1.00 0.00 ? 13 VAL A C 1 ATOM 117 O O . VAL A 1 15 ? 22.814 20.998 -20.997 1.00 0.00 ? 13 VAL A O 1 ATOM 118 C CB . VAL A 1 15 ? 19.923 20.815 -20.347 1.00 0.00 ? 13 VAL A CB 1 ATOM 119 C CG1 . VAL A 1 15 ? 20.009 22.395 -20.133 1.00 0.00 ? 13 VAL A CG1 1 ATOM 120 C CG2 . VAL A 1 15 ? 19.415 20.525 -21.805 1.00 0.00 ? 13 VAL A CG2 1 ATOM 121 N N . VAL A 1 16 ? 22.314 18.957 -21.813 1.00 0.00 ? 14 VAL A N 1 ATOM 122 C CA . VAL A 1 16 ? 23.311 18.959 -22.788 1.00 0.00 ? 14 VAL A CA 1 ATOM 123 C C . VAL A 1 16 ? 22.610 18.684 -24.052 1.00 0.00 ? 14 VAL A C 1 ATOM 124 O O . VAL A 1 16 ? 22.017 17.677 -24.167 1.00 0.00 ? 14 VAL A O 1 ATOM 125 C CB . VAL A 1 16 ? 24.261 17.889 -22.498 1.00 0.00 ? 14 VAL A CB 1 ATOM 126 C CG1 . VAL A 1 16 ? 25.469 18.097 -23.429 1.00 0.00 ? 14 VAL A CG1 1 ATOM 127 C CG2 . VAL A 1 16 ? 24.654 18.005 -21.022 1.00 0.00 ? 14 VAL A CG2 1 ATOM 128 N N . PRO A 1 17 ? 22.780 19.547 -25.026 1.00 0.00 ? 15 PRO A N 1 ATOM 129 C CA . PRO A 1 17 ? 22.295 19.305 -26.336 1.00 0.00 ? 15 PRO A CA 1 ATOM 130 C C . PRO A 1 17 ? 23.285 18.338 -26.956 1.00 0.00 ? 15 PRO A C 1 ATOM 131 O O . PRO A 1 17 ? 24.477 18.464 -26.567 1.00 0.00 ? 15 PRO A O 1 ATOM 132 C CB . PRO A 1 17 ? 22.211 20.700 -27.002 1.00 0.00 ? 15 PRO A CB 1 ATOM 133 C CG . PRO A 1 17 ? 23.371 21.413 -26.320 1.00 0.00 ? 15 PRO A CG 1 ATOM 134 C CD . PRO A 1 17 ? 23.259 20.895 -24.924 1.00 0.00 ? 15 PRO A CD 1 ATOM 135 N N . CYS A 1 18 ? 22.886 17.283 -27.683 1.00 0.00 ? 16 CYS A N 1 ATOM 136 C CA . CYS A 1 18 ? 23.913 16.288 -27.912 1.00 0.00 ? 16 CYS A CA 1 ATOM 137 C C . CYS A 1 18 ? 24.046 15.995 -29.319 1.00 0.00 ? 16 CYS A C 1 ATOM 138 O O . CYS A 1 18 ? 24.697 15.101 -29.836 1.00 0.00 ? 16 CYS A O 1 ATOM 139 C CB . CYS A 1 18 ? 23.592 15.072 -27.087 1.00 0.00 ? 16 CYS A CB 1 ATOM 140 S SG . CYS A 1 18 ? 23.774 15.475 -25.391 1.00 0.00 ? 16 CYS A SG 1 ATOM 141 N N . GLY A 1 19 ? 23.198 16.655 -30.072 1.00 0.00 ? 17 GLY A N 1 ATOM 142 C CA . GLY A 1 19 ? 22.889 16.539 -31.426 1.00 0.00 ? 17 GLY A CA 1 ATOM 143 C C . GLY A 1 19 ? 22.563 15.113 -31.762 1.00 0.00 ? 17 GLY A C 1 ATOM 144 O O . GLY A 1 19 ? 21.363 14.763 -31.632 1.00 0.00 ? 17 GLY A O 1 ATOM 145 N N . ASP A 1 20 ? 23.493 14.364 -32.320 1.00 0.00 ? 18 ASP A N 1 ATOM 146 C CA . ASP A 1 20 ? 23.142 13.096 -32.883 1.00 0.00 ? 18 ASP A CA 1 ATOM 147 C C . ASP A 1 20 ? 23.711 12.072 -31.909 1.00 0.00 ? 18 ASP A C 1 ATOM 148 O O . ASP A 1 20 ? 23.337 10.906 -31.947 1.00 0.00 ? 18 ASP A O 1 ATOM 149 C CB . ASP A 1 20 ? 23.840 12.798 -34.210 1.00 0.00 ? 18 ASP A CB 1 ATOM 150 C CG . ASP A 1 20 ? 23.123 11.768 -35.099 1.00 0.00 ? 18 ASP A CG 1 ATOM 151 O OD1 . ASP A 1 20 ? 23.021 10.555 -34.669 1.00 0.00 ? 18 ASP A OD1 1 ATOM 152 O OD2 . ASP A 1 20 ? 22.730 12.128 -36.220 1.00 0.00 ? 18 ASP A OD2 1 ATOM 153 N N . GLY A 1 21 ? 24.635 12.453 -30.980 1.00 0.00 ? 19 GLY A N 1 ATOM 154 C CA . GLY A 1 21 ? 25.360 11.624 -30.041 1.00 0.00 ? 19 GLY A CA 1 ATOM 155 C C . GLY A 1 21 ? 26.498 10.831 -30.624 1.00 0.00 ? 19 GLY A C 1 ATOM 156 O O . GLY A 1 21 ? 27.091 9.968 -29.946 1.00 0.00 ? 19 GLY A O 1 ATOM 157 N N . ARG A 1 22 ? 26.814 11.090 -31.922 1.00 0.00 ? 20 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? 27.866 10.430 -32.583 1.00 0.00 ? 20 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? 29.042 11.313 -32.322 1.00 0.00 ? 20 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? 29.195 12.407 -32.891 1.00 0.00 ? 20 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? 27.512 10.311 -34.069 1.00 0.00 ? 20 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? 26.302 9.385 -34.236 1.00 0.00 ? 20 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? 26.560 7.818 -33.953 1.00 0.00 ? 20 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? 27.301 7.294 -35.139 1.00 0.00 ? 20 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? 28.634 7.352 -35.180 1.00 0.00 ? 20 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? 29.409 7.275 -34.037 1.00 0.00 ? 20 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? 29.267 7.341 -36.377 1.00 0.00 ? 20 ARG A NH2 1 ATOM 168 N N . MET A 1 23 ? 29.884 10.768 -31.368 1.00 0.00 ? 21 MET A N 1 ATOM 169 C CA . MET A 1 23 ? 31.060 11.375 -30.785 1.00 0.00 ? 21 MET A CA 1 ATOM 170 C C . MET A 1 23 ? 31.620 10.452 -29.737 1.00 0.00 ? 21 MET A C 1 ATOM 171 O O . MET A 1 23 ? 30.895 9.713 -29.100 1.00 0.00 ? 21 MET A O 1 ATOM 172 C CB . MET A 1 23 ? 30.643 12.616 -29.966 1.00 0.00 ? 21 MET A CB 1 ATOM 173 C CG . MET A 1 23 ? 31.805 13.533 -29.519 1.00 0.00 ? 21 MET A CG 1 ATOM 174 S SD . MET A 1 23 ? 31.487 14.278 -27.995 1.00 0.00 ? 21 MET A SD 1 ATOM 175 C CE . MET A 1 23 ? 30.422 15.611 -28.629 1.00 0.00 ? 21 MET A CE 1 ATOM 176 N N . LYS A 1 24 ? 32.934 10.577 -29.432 1.00 0.00 ? 22 LYS A N 1 ATOM 177 C CA . LYS A 1 24 ? 33.558 9.903 -28.288 1.00 0.00 ? 22 LYS A CA 1 ATOM 178 C C . LYS A 1 24 ? 33.194 10.771 -27.132 1.00 0.00 ? 22 LYS A C 1 ATOM 179 O O . LYS A 1 24 ? 32.696 11.848 -27.287 1.00 0.00 ? 22 LYS A O 1 ATOM 180 C CB . LYS A 1 24 ? 35.104 9.762 -28.438 1.00 0.00 ? 22 LYS A CB 1 ATOM 181 C CG . LYS A 1 24 ? 35.545 8.391 -28.954 1.00 0.00 ? 22 LYS A CG 1 ATOM 182 C CD . LYS A 1 24 ? 37.055 7.950 -28.512 1.00 0.00 ? 22 LYS A CD 1 ATOM 183 C CE . LYS A 1 24 ? 37.198 6.415 -28.487 1.00 0.00 ? 22 LYS A CE 1 ATOM 184 N NZ . LYS A 1 24 ? 38.220 5.870 -27.482 1.00 0.00 ? 22 LYS A NZ 1 ATOM 185 N N . VAL A 1 25 ? 33.404 10.368 -25.869 1.00 0.00 ? 23 VAL A N 1 ATOM 186 C CA . VAL A 1 25 ? 33.046 11.113 -24.666 1.00 0.00 ? 23 VAL A CA 1 ATOM 187 C C . VAL A 1 25 ? 33.462 12.579 -24.546 1.00 0.00 ? 23 VAL A C 1 ATOM 188 O O . VAL A 1 25 ? 32.778 13.473 -23.950 1.00 0.00 ? 23 VAL A O 1 ATOM 189 C CB . VAL A 1 25 ? 33.630 10.286 -23.528 1.00 0.00 ? 23 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 25 ? 33.907 11.103 -22.317 1.00 0.00 ? 23 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 25 ? 32.609 9.147 -23.316 1.00 0.00 ? 23 VAL A CG2 1 ATOM 192 N N . PHE A 1 26 ? 34.661 12.780 -25.018 1.00 0.00 ? 24 PHE A N 1 ATOM 193 C CA . PHE A 1 26 ? 35.257 14.102 -24.874 1.00 0.00 ? 24 PHE A CA 1 ATOM 194 C C . PHE A 1 26 ? 34.589 15.323 -25.313 1.00 0.00 ? 24 PHE A C 1 ATOM 195 O O . PHE A 1 26 ? 34.519 16.179 -24.413 1.00 0.00 ? 24 PHE A O 1 ATOM 196 C CB . PHE A 1 26 ? 36.738 14.007 -25.308 1.00 0.00 ? 24 PHE A CB 1 ATOM 197 C CG . PHE A 1 26 ? 37.546 13.740 -24.053 1.00 0.00 ? 24 PHE A CG 1 ATOM 198 C CD1 . PHE A 1 26 ? 37.316 12.499 -23.453 1.00 0.00 ? 24 PHE A CD1 1 ATOM 199 C CD2 . PHE A 1 26 ? 38.156 14.829 -23.316 1.00 0.00 ? 24 PHE A CD2 1 ATOM 200 C CE1 . PHE A 1 26 ? 37.675 12.249 -22.158 1.00 0.00 ? 24 PHE A CE1 1 ATOM 201 C CE2 . PHE A 1 26 ? 38.567 14.561 -22.007 1.00 0.00 ? 24 PHE A CE2 1 ATOM 202 C CZ . PHE A 1 26 ? 38.333 13.280 -21.452 1.00 0.00 ? 24 PHE A CZ 1 ATOM 203 N N . SER A 1 27 ? 34.145 15.586 -26.564 1.00 0.00 ? 25 SER A N 1 ATOM 204 C CA . SER A 1 27 ? 33.567 16.818 -26.926 1.00 0.00 ? 25 SER A CA 1 ATOM 205 C C . SER A 1 27 ? 32.448 17.202 -26.077 1.00 0.00 ? 25 SER A C 1 ATOM 206 O O . SER A 1 27 ? 32.385 18.388 -25.811 1.00 0.00 ? 25 SER A O 1 ATOM 207 C CB . SER A 1 27 ? 33.263 16.918 -28.434 1.00 0.00 ? 25 SER A CB 1 ATOM 208 O OG . SER A 1 27 ? 34.330 17.626 -29.084 1.00 0.00 ? 25 SER A OG 1 ATOM 209 N N . LEU A 1 28 ? 31.572 16.289 -25.609 1.00 0.00 ? 26 LEU A N 1 ATOM 210 C CA . LEU A 1 28 ? 30.406 16.579 -24.742 1.00 0.00 ? 26 LEU A CA 1 ATOM 211 C C . LEU A 1 28 ? 30.810 17.186 -23.501 1.00 0.00 ? 26 LEU A C 1 ATOM 212 O O . LEU A 1 28 ? 30.251 18.197 -23.094 1.00 0.00 ? 26 LEU A O 1 ATOM 213 C CB . LEU A 1 28 ? 29.607 15.354 -24.441 1.00 0.00 ? 26 LEU A CB 1 ATOM 214 C CG . LEU A 1 28 ? 28.370 15.659 -23.588 1.00 0.00 ? 26 LEU A CG 1 ATOM 215 C CD1 . LEU A 1 28 ? 27.272 14.739 -24.052 1.00 0.00 ? 26 LEU A CD1 1 ATOM 216 C CD2 . LEU A 1 28 ? 28.707 15.482 -22.042 1.00 0.00 ? 26 LEU A CD2 1 ATOM 217 N N . ILE A 1 29 ? 31.809 16.589 -22.843 1.00 0.00 ? 27 ILE A N 1 ATOM 218 C CA . ILE A 1 29 ? 32.269 17.079 -21.613 1.00 0.00 ? 27 ILE A CA 1 ATOM 219 C C . ILE A 1 29 ? 32.653 18.528 -21.864 1.00 0.00 ? 27 ILE A C 1 ATOM 220 O O . ILE A 1 29 ? 32.425 19.331 -21.064 1.00 0.00 ? 27 ILE A O 1 ATOM 221 C CB . ILE A 1 29 ? 33.493 16.365 -21.014 1.00 0.00 ? 27 ILE A CB 1 ATOM 222 C CG1 . ILE A 1 29 ? 33.336 14.826 -20.990 1.00 0.00 ? 27 ILE A CG1 1 ATOM 223 C CG2 . ILE A 1 29 ? 33.913 16.921 -19.584 1.00 0.00 ? 27 ILE A CG2 1 ATOM 224 C CD1 . ILE A 1 29 ? 34.683 14.142 -20.888 1.00 0.00 ? 27 ILE A CD1 1 ATOM 225 N N . GLN A 1 30 ? 33.220 18.826 -23.042 1.00 0.00 ? 28 GLN A N 1 ATOM 226 C CA . GLN A 1 30 ? 33.561 20.222 -23.338 1.00 0.00 ? 28 GLN A CA 1 ATOM 227 C C . GLN A 1 30 ? 32.368 21.069 -23.424 1.00 0.00 ? 28 GLN A C 1 ATOM 228 O O . GLN A 1 30 ? 32.309 22.141 -22.872 1.00 0.00 ? 28 GLN A O 1 ATOM 229 C CB . GLN A 1 30 ? 34.371 20.389 -24.595 1.00 0.00 ? 28 GLN A CB 1 ATOM 230 C CG . GLN A 1 30 ? 35.432 19.321 -24.811 1.00 0.00 ? 28 GLN A CG 1 ATOM 231 C CD . GLN A 1 30 ? 35.915 19.278 -26.287 1.00 0.00 ? 28 GLN A CD 1 ATOM 232 O OE1 . GLN A 1 30 ? 35.305 19.579 -27.295 1.00 0.00 ? 28 GLN A OE1 1 ATOM 233 N NE2 . GLN A 1 30 ? 37.210 18.755 -26.497 1.00 0.00 ? 28 GLN A NE2 1 ATOM 234 N N . GLN A 1 31 ? 31.309 20.641 -24.153 1.00 0.00 ? 29 GLN A N 1 ATOM 235 C CA . GLN A 1 31 ? 30.112 21.365 -24.385 1.00 0.00 ? 29 GLN A CA 1 ATOM 236 C C . GLN A 1 31 ? 29.423 21.763 -23.126 1.00 0.00 ? 29 GLN A C 1 ATOM 237 O O . GLN A 1 31 ? 29.091 22.925 -22.873 1.00 0.00 ? 29 GLN A O 1 ATOM 238 C CB . GLN A 1 31 ? 29.089 20.531 -25.280 1.00 0.00 ? 29 GLN A CB 1 ATOM 239 C CG . GLN A 1 31 ? 29.475 20.299 -26.759 1.00 0.00 ? 29 GLN A CG 1 ATOM 240 C CD . GLN A 1 31 ? 28.976 21.596 -27.455 1.00 0.00 ? 29 GLN A CD 1 ATOM 241 O OE1 . GLN A 1 31 ? 29.602 22.629 -27.459 1.00 0.00 ? 29 GLN A OE1 1 ATOM 242 N NE2 . GLN A 1 31 ? 27.852 21.322 -28.172 1.00 0.00 ? 29 GLN A NE2 1 ATOM 243 N N . ALA A 1 32 ? 29.282 20.827 -22.247 1.00 0.00 ? 30 ALA A N 1 ATOM 244 C CA . ALA A 1 32 ? 28.691 21.014 -20.948 1.00 0.00 ? 30 ALA A CA 1 ATOM 245 C C . ALA A 1 32 ? 29.371 21.969 -20.185 1.00 0.00 ? 30 ALA A C 1 ATOM 246 O O . ALA A 1 32 ? 28.810 22.725 -19.441 1.00 0.00 ? 30 ALA A O 1 ATOM 247 C CB . ALA A 1 32 ? 28.646 19.645 -20.220 1.00 0.00 ? 30 ALA A CB 1 ATOM 248 N N . VAL A 1 33 ? 30.701 21.805 -20.215 1.00 0.00 ? 31 VAL A N 1 ATOM 249 C CA . VAL A 1 33 ? 31.692 22.521 -19.426 1.00 0.00 ? 31 VAL A CA 1 ATOM 250 C C . VAL A 1 33 ? 31.528 23.961 -19.775 1.00 0.00 ? 31 VAL A C 1 ATOM 251 O O . VAL A 1 33 ? 31.284 24.865 -18.932 1.00 0.00 ? 31 VAL A O 1 ATOM 252 C CB . VAL A 1 33 ? 33.069 21.994 -19.753 1.00 0.00 ? 31 VAL A CB 1 ATOM 253 C CG1 . VAL A 1 33 ? 34.190 23.035 -19.747 1.00 0.00 ? 31 VAL A CG1 1 ATOM 254 C CG2 . VAL A 1 33 ? 33.238 20.889 -18.789 1.00 0.00 ? 31 VAL A CG2 1 ATOM 255 N N . THR A 1 34 ? 31.469 24.167 -21.070 1.00 0.00 ? 32 THR A N 1 ATOM 256 C CA . THR A 1 34 ? 31.127 25.466 -21.718 1.00 0.00 ? 32 THR A CA 1 ATOM 257 C C . THR A 1 34 ? 29.831 25.933 -21.194 1.00 0.00 ? 32 THR A C 1 ATOM 258 O O . THR A 1 34 ? 29.684 27.098 -20.900 1.00 0.00 ? 32 THR A O 1 ATOM 259 C CB . THR A 1 34 ? 31.332 25.478 -23.195 1.00 0.00 ? 32 THR A CB 1 ATOM 260 O OG1 . THR A 1 34 ? 30.548 24.645 -23.976 1.00 0.00 ? 32 THR A OG1 1 ATOM 261 C CG2 . THR A 1 34 ? 32.905 25.279 -23.559 1.00 0.00 ? 32 THR A CG2 1 ATOM 262 N N . ARG A 1 35 ? 28.866 25.052 -20.963 1.00 0.00 ? 33 ARG A N 1 ATOM 263 C CA . ARG A 1 35 ? 27.578 25.422 -20.500 1.00 0.00 ? 33 ARG A CA 1 ATOM 264 C C . ARG A 1 35 ? 27.633 25.652 -19.134 1.00 0.00 ? 33 ARG A C 1 ATOM 265 O O . ARG A 1 35 ? 26.925 26.515 -18.700 1.00 0.00 ? 33 ARG A O 1 ATOM 266 C CB . ARG A 1 35 ? 26.559 24.342 -20.882 1.00 0.00 ? 33 ARG A CB 1 ATOM 267 C CG . ARG A 1 35 ? 26.381 24.289 -22.360 1.00 0.00 ? 33 ARG A CG 1 ATOM 268 C CD . ARG A 1 35 ? 26.087 22.886 -22.979 1.00 0.00 ? 33 ARG A CD 1 ATOM 269 N NE . ARG A 1 35 ? 25.661 23.172 -24.412 1.00 0.00 ? 33 ARG A NE 1 ATOM 270 C CZ . ARG A 1 35 ? 26.518 23.344 -25.470 1.00 0.00 ? 33 ARG A CZ 1 ATOM 271 N NH1 . ARG A 1 35 ? 27.846 23.482 -25.332 1.00 0.00 ? 33 ARG A NH1 1 ATOM 272 N NH2 . ARG A 1 35 ? 26.003 23.443 -26.754 1.00 0.00 ? 33 ARG A NH2 1 ATOM 273 N N . TYR A 1 36 ? 28.492 25.052 -18.324 1.00 0.00 ? 34 TYR A N 1 ATOM 274 C CA . TYR A 1 36 ? 28.512 25.299 -16.930 1.00 0.00 ? 34 TYR A CA 1 ATOM 275 C C . TYR A 1 36 ? 29.000 26.670 -16.688 1.00 0.00 ? 34 TYR A C 1 ATOM 276 O O . TYR A 1 36 ? 28.475 27.423 -15.877 1.00 0.00 ? 34 TYR A O 1 ATOM 277 C CB . TYR A 1 36 ? 29.594 24.380 -16.349 1.00 0.00 ? 34 TYR A CB 1 ATOM 278 C CG . TYR A 1 36 ? 29.476 24.213 -14.858 1.00 0.00 ? 34 TYR A CG 1 ATOM 279 C CD1 . TYR A 1 36 ? 28.582 24.883 -14.025 1.00 0.00 ? 34 TYR A CD1 1 ATOM 280 C CD2 . TYR A 1 36 ? 30.395 23.316 -14.349 1.00 0.00 ? 34 TYR A CD2 1 ATOM 281 C CE1 . TYR A 1 36 ? 28.525 24.544 -12.680 1.00 0.00 ? 34 TYR A CE1 1 ATOM 282 C CE2 . TYR A 1 36 ? 30.360 23.028 -12.974 1.00 0.00 ? 34 TYR A CE2 1 ATOM 283 C CZ . TYR A 1 36 ? 29.386 23.621 -12.129 1.00 0.00 ? 34 TYR A CZ 1 ATOM 284 O OH . TYR A 1 36 ? 29.142 23.080 -10.847 1.00 0.00 ? 34 TYR A OH 1 ATOM 285 N N . ARG A 1 37 ? 30.003 27.025 -17.465 1.00 0.00 ? 35 ARG A N 1 ATOM 286 C CA . ARG A 1 37 ? 30.620 28.275 -17.535 1.00 0.00 ? 35 ARG A CA 1 ATOM 287 C C . ARG A 1 37 ? 29.757 29.324 -18.130 1.00 0.00 ? 35 ARG A C 1 ATOM 288 O O . ARG A 1 37 ? 29.985 30.513 -17.960 1.00 0.00 ? 35 ARG A O 1 ATOM 289 C CB . ARG A 1 37 ? 32.106 28.194 -18.071 1.00 0.00 ? 35 ARG A CB 1 ATOM 290 C CG . ARG A 1 37 ? 33.170 27.516 -17.139 1.00 0.00 ? 35 ARG A CG 1 ATOM 291 C CD . ARG A 1 37 ? 34.575 27.597 -17.779 1.00 0.00 ? 35 ARG A CD 1 ATOM 292 N NE . ARG A 1 37 ? 34.542 26.714 -19.003 1.00 0.00 ? 35 ARG A NE 1 ATOM 293 C CZ . ARG A 1 37 ? 35.476 26.854 -20.027 1.00 0.00 ? 35 ARG A CZ 1 ATOM 294 N NH1 . ARG A 1 37 ? 36.550 27.701 -19.906 1.00 0.00 ? 35 ARG A NH1 1 ATOM 295 N NH2 . ARG A 1 37 ? 35.322 26.078 -21.083 1.00 0.00 ? 35 ARG A NH2 1 ATOM 296 N N . LYS A 1 38 ? 28.699 28.954 -18.879 1.00 0.00 ? 36 LYS A N 1 ATOM 297 C CA . LYS A 1 38 ? 27.775 29.841 -19.464 1.00 0.00 ? 36 LYS A CA 1 ATOM 298 C C . LYS A 1 38 ? 26.629 30.072 -18.514 1.00 0.00 ? 36 LYS A C 1 ATOM 299 O O . LYS A 1 38 ? 25.865 30.973 -18.760 1.00 0.00 ? 36 LYS A O 1 ATOM 300 C CB . LYS A 1 38 ? 27.189 29.126 -20.703 1.00 0.00 ? 36 LYS A CB 1 ATOM 301 C CG . LYS A 1 38 ? 26.407 30.029 -21.774 1.00 0.00 ? 36 LYS A CG 1 ATOM 302 C CD . LYS A 1 38 ? 25.543 29.139 -22.672 1.00 0.00 ? 36 LYS A CD 1 ATOM 303 C CE . LYS A 1 38 ? 24.876 29.750 -23.920 1.00 0.00 ? 36 LYS A CE 1 ATOM 304 N NZ . LYS A 1 38 ? 24.143 28.723 -24.610 1.00 0.00 ? 36 LYS A NZ 1 ATOM 305 N N . ALA A 1 39 ? 26.562 29.254 -17.494 1.00 0.00 ? 37 ALA A N 1 ATOM 306 C CA . ALA A 1 39 ? 25.585 29.346 -16.478 1.00 0.00 ? 37 ALA A CA 1 ATOM 307 C C . ALA A 1 39 ? 25.898 30.284 -15.328 1.00 0.00 ? 37 ALA A C 1 ATOM 308 O O . ALA A 1 39 ? 24.954 30.816 -14.719 1.00 0.00 ? 37 ALA A O 1 ATOM 309 C CB . ALA A 1 39 ? 25.264 28.024 -15.889 1.00 0.00 ? 37 ALA A CB 1 ATOM 310 N N . VAL A 1 40 ? 27.168 30.340 -14.901 1.00 0.00 ? 38 VAL A N 1 ATOM 311 C CA . VAL A 1 40 ? 27.461 31.096 -13.714 1.00 0.00 ? 38 VAL A CA 1 ATOM 312 C C . VAL A 1 40 ? 28.879 31.737 -13.747 1.00 0.00 ? 38 VAL A C 1 ATOM 313 O O . VAL A 1 40 ? 29.134 32.416 -12.751 1.00 0.00 ? 38 VAL A O 1 ATOM 314 C CB . VAL A 1 40 ? 27.234 30.112 -12.587 1.00 0.00 ? 38 VAL A CB 1 ATOM 315 C CG1 . VAL A 1 40 ? 28.256 29.000 -12.688 1.00 0.00 ? 38 VAL A CG1 1 ATOM 316 C CG2 . VAL A 1 40 ? 27.195 30.897 -11.270 1.00 0.00 ? 38 VAL A CG2 1 ATOM 317 N N . ALA A 1 41 ? 29.763 31.532 -14.773 1.00 0.00 ? 39 ALA A N 1 ATOM 318 C CA . ALA A 1 41 ? 31.108 32.042 -14.770 1.00 0.00 ? 39 ALA A CA 1 ATOM 319 C C . ALA A 1 41 ? 31.144 33.558 -14.549 1.00 0.00 ? 39 ALA A C 1 ATOM 320 O O . ALA A 1 41 ? 30.558 34.273 -15.363 1.00 0.00 ? 39 ALA A O 1 ATOM 321 C CB . ALA A 1 41 ? 31.877 31.784 -16.110 1.00 0.00 ? 39 ALA A CB 1 ATOM 322 N N . LYS A 1 42 ? 31.992 34.014 -13.608 1.00 0.00 ? 40 LYS A N 1 ATOM 323 C CA . LYS A 1 42 ? 32.363 35.349 -13.348 1.00 0.00 ? 40 LYS A CA 1 ATOM 324 C C . LYS A 1 42 ? 33.532 35.437 -14.266 1.00 0.00 ? 40 LYS A C 1 ATOM 325 O O . LYS A 1 42 ? 33.380 35.434 -15.448 1.00 0.00 ? 40 LYS A O 1 ATOM 326 C CB . LYS A 1 42 ? 32.681 35.658 -11.837 1.00 0.00 ? 40 LYS A CB 1 ATOM 327 C CG . LYS A 1 42 ? 33.490 34.532 -11.096 1.00 0.00 ? 40 LYS A CG 1 ATOM 328 C CD . LYS A 1 42 ? 33.322 34.599 -9.593 1.00 0.00 ? 40 LYS A CD 1 ATOM 329 C CE . LYS A 1 42 ? 34.341 33.796 -8.751 1.00 0.00 ? 40 LYS A CE 1 ATOM 330 N NZ . LYS A 1 42 ? 35.671 34.361 -8.856 1.00 0.00 ? 40 LYS A NZ 1 ATOM 331 N N . ASP A 1 43 ? 34.785 35.571 -13.746 1.00 0.00 ? 41 ASP A N 1 ATOM 332 C CA . ASP A 1 43 ? 35.984 35.669 -14.542 1.00 0.00 ? 41 ASP A CA 1 ATOM 333 C C . ASP A 1 43 ? 36.391 34.271 -14.915 1.00 0.00 ? 41 ASP A C 1 ATOM 334 O O . ASP A 1 43 ? 36.256 33.412 -14.056 1.00 0.00 ? 41 ASP A O 1 ATOM 335 C CB . ASP A 1 43 ? 37.114 36.333 -13.807 1.00 0.00 ? 41 ASP A CB 1 ATOM 336 C CG . ASP A 1 43 ? 37.464 35.710 -12.453 1.00 0.00 ? 41 ASP A CG 1 ATOM 337 O OD1 . ASP A 1 43 ? 36.724 35.855 -11.454 1.00 0.00 ? 41 ASP A OD1 1 ATOM 338 O OD2 . ASP A 1 43 ? 38.576 35.127 -12.353 1.00 0.00 ? 41 ASP A OD2 1 ATOM 339 N N . PRO A 1 44 ? 37.008 33.925 -16.046 1.00 0.00 ? 42 PRO A N 1 ATOM 340 C CA . PRO A 1 44 ? 37.334 32.552 -16.278 1.00 0.00 ? 42 PRO A CA 1 ATOM 341 C C . PRO A 1 44 ? 38.659 32.336 -15.700 1.00 0.00 ? 42 PRO A C 1 ATOM 342 O O . PRO A 1 44 ? 39.666 32.929 -16.146 1.00 0.00 ? 42 PRO A O 1 ATOM 343 C CB . PRO A 1 44 ? 37.439 32.426 -17.794 1.00 0.00 ? 42 PRO A CB 1 ATOM 344 C CG . PRO A 1 44 ? 36.452 33.563 -18.245 1.00 0.00 ? 42 PRO A CG 1 ATOM 345 C CD . PRO A 1 44 ? 36.911 34.673 -17.271 1.00 0.00 ? 42 PRO A CD 1 ATOM 346 N N . ASN A 1 45 ? 38.646 31.539 -14.641 1.00 0.00 ? 43 ASN A N 1 ATOM 347 C CA . ASN A 1 45 ? 39.790 31.216 -13.844 1.00 0.00 ? 43 ASN A CA 1 ATOM 348 C C . ASN A 1 45 ? 39.125 30.336 -12.849 1.00 0.00 ? 43 ASN A C 1 ATOM 349 O O . ASN A 1 45 ? 38.169 30.719 -12.215 1.00 0.00 ? 43 ASN A O 1 ATOM 350 C CB . ASN A 1 45 ? 40.685 32.334 -13.312 1.00 0.00 ? 43 ASN A CB 1 ATOM 351 C CG . ASN A 1 45 ? 41.936 31.558 -12.785 1.00 0.00 ? 43 ASN A CG 1 ATOM 352 O OD1 . ASN A 1 45 ? 41.860 30.870 -11.784 1.00 0.00 ? 43 ASN A OD1 1 ATOM 353 N ND2 . ASN A 1 45 ? 43.066 31.753 -13.449 1.00 0.00 ? 43 ASN A ND2 1 ATOM 354 N N . TYR A 1 46 ? 39.626 29.055 -12.922 1.00 0.00 ? 44 TYR A N 1 ATOM 355 C CA . TYR A 1 46 ? 38.977 28.006 -12.255 1.00 0.00 ? 44 TYR A CA 1 ATOM 356 C C . TYR A 1 46 ? 39.827 26.909 -12.759 1.00 0.00 ? 44 TYR A C 1 ATOM 357 O O . TYR A 1 46 ? 40.945 27.065 -13.291 1.00 0.00 ? 44 TYR A O 1 ATOM 358 C CB . TYR A 1 46 ? 37.546 27.691 -12.713 1.00 0.00 ? 44 TYR A CB 1 ATOM 359 C CG . TYR A 1 46 ? 36.415 28.583 -12.317 1.00 0.00 ? 44 TYR A CG 1 ATOM 360 C CD1 . TYR A 1 46 ? 36.281 29.036 -10.989 1.00 0.00 ? 44 TYR A CD1 1 ATOM 361 C CD2 . TYR A 1 46 ? 35.407 28.811 -13.263 1.00 0.00 ? 44 TYR A CD2 1 ATOM 362 C CE1 . TYR A 1 46 ? 35.082 29.475 -10.503 1.00 0.00 ? 44 TYR A CE1 1 ATOM 363 C CE2 . TYR A 1 46 ? 34.156 29.169 -12.750 1.00 0.00 ? 44 TYR A CE2 1 ATOM 364 C CZ . TYR A 1 46 ? 33.988 29.519 -11.411 1.00 0.00 ? 44 TYR A CZ 1 ATOM 365 O OH . TYR A 1 46 ? 32.818 29.865 -10.792 1.00 0.00 ? 44 TYR A OH 1 ATOM 366 N N . TRP A 1 47 ? 39.358 25.616 -12.611 1.00 0.00 ? 45 TRP A N 1 ATOM 367 C CA . TRP A 1 47 ? 39.841 24.312 -13.026 1.00 0.00 ? 45 TRP A CA 1 ATOM 368 C C . TRP A 1 47 ? 38.725 23.635 -13.774 1.00 0.00 ? 45 TRP A C 1 ATOM 369 O O . TRP A 1 47 ? 37.575 24.039 -13.664 1.00 0.00 ? 45 TRP A O 1 ATOM 370 C CB . TRP A 1 47 ? 40.231 23.381 -11.926 1.00 0.00 ? 45 TRP A CB 1 ATOM 371 C CG . TRP A 1 47 ? 40.695 24.053 -10.691 1.00 0.00 ? 45 TRP A CG 1 ATOM 372 C CD1 . TRP A 1 47 ? 41.557 25.116 -10.586 1.00 0.00 ? 45 TRP A CD1 1 ATOM 373 C CD2 . TRP A 1 47 ? 40.402 23.651 -9.363 1.00 0.00 ? 45 TRP A CD2 1 ATOM 374 N NE1 . TRP A 1 47 ? 41.846 25.369 -9.310 1.00 0.00 ? 45 TRP A NE1 1 ATOM 375 C CE2 . TRP A 1 47 ? 41.200 24.413 -8.465 1.00 0.00 ? 45 TRP A CE2 1 ATOM 376 C CE3 . TRP A 1 47 ? 39.599 22.639 -8.859 1.00 0.00 ? 45 TRP A CE3 1 ATOM 377 C CZ2 . TRP A 1 47 ? 41.081 24.260 -7.081 1.00 0.00 ? 45 TRP A CZ2 1 ATOM 378 C CZ3 . TRP A 1 47 ? 39.487 22.489 -7.449 1.00 0.00 ? 45 TRP A CZ3 1 ATOM 379 C CH2 . TRP A 1 47 ? 40.175 23.301 -6.569 1.00 0.00 ? 45 TRP A CH2 1 ATOM 380 N N . ILE A 1 48 ? 38.934 22.575 -14.545 1.00 0.00 ? 46 ILE A N 1 ATOM 381 C CA . ILE A 1 48 ? 37.829 21.842 -15.145 1.00 0.00 ? 46 ILE A CA 1 ATOM 382 C C . ILE A 1 48 ? 38.076 20.440 -15.236 1.00 0.00 ? 46 ILE A C 1 ATOM 383 O O . ILE A 1 48 ? 37.960 19.847 -16.315 1.00 0.00 ? 46 ILE A O 1 ATOM 384 C CB . ILE A 1 48 ? 37.387 22.380 -16.562 1.00 0.00 ? 46 ILE A CB 1 ATOM 385 C CG1 . ILE A 1 48 ? 37.296 23.917 -16.616 1.00 0.00 ? 46 ILE A CG1 1 ATOM 386 C CG2 . ILE A 1 48 ? 36.058 21.747 -16.942 1.00 0.00 ? 46 ILE A CG2 1 ATOM 387 C CD1 . ILE A 1 48 ? 37.042 24.461 -17.999 1.00 0.00 ? 46 ILE A CD1 1 ATOM 388 N N . GLN A 1 49 ? 38.508 19.786 -14.165 1.00 0.00 ? 47 GLN A N 1 ATOM 389 C CA . GLN A 1 49 ? 38.830 18.359 -14.345 1.00 0.00 ? 47 GLN A CA 1 ATOM 390 C C . GLN A 1 49 ? 37.673 17.607 -13.711 1.00 0.00 ? 47 GLN A C 1 ATOM 391 O O . GLN A 1 49 ? 37.655 17.218 -12.576 1.00 0.00 ? 47 GLN A O 1 ATOM 392 C CB . GLN A 1 49 ? 40.180 17.885 -13.667 1.00 0.00 ? 47 GLN A CB 1 ATOM 393 C CG . GLN A 1 49 ? 40.426 18.257 -12.178 1.00 0.00 ? 47 GLN A CG 1 ATOM 394 C CD . GLN A 1 49 ? 40.589 19.769 -12.018 1.00 0.00 ? 47 GLN A CD 1 ATOM 395 O OE1 . GLN A 1 49 ? 41.041 20.456 -12.960 1.00 0.00 ? 47 GLN A OE1 1 ATOM 396 N NE2 . GLN A 1 49 ? 40.137 20.279 -10.841 1.00 0.00 ? 47 GLN A NE2 1 ATOM 397 N N . VAL A 1 50 ? 36.799 17.306 -14.593 1.00 0.00 ? 48 VAL A N 1 ATOM 398 C CA . VAL A 1 50 ? 35.737 16.467 -14.310 1.00 0.00 ? 48 VAL A CA 1 ATOM 399 C C . VAL A 1 50 ? 36.216 15.019 -14.384 1.00 0.00 ? 48 VAL A C 1 ATOM 400 O O . VAL A 1 50 ? 36.795 14.547 -15.373 1.00 0.00 ? 48 VAL A O 1 ATOM 401 C CB . VAL A 1 50 ? 34.544 16.747 -15.235 1.00 0.00 ? 48 VAL A CB 1 ATOM 402 C CG1 . VAL A 1 50 ? 33.256 16.318 -14.555 1.00 0.00 ? 48 VAL A CG1 1 ATOM 403 C CG2 . VAL A 1 50 ? 34.433 18.199 -15.536 1.00 0.00 ? 48 VAL A CG2 1 ATOM 404 N N . HIS A 1 51 ? 36.022 14.201 -13.360 1.00 0.00 ? 49 HIS A N 1 ATOM 405 C CA . HIS A 1 51 ? 36.440 12.835 -13.380 1.00 0.00 ? 49 HIS A CA 1 ATOM 406 C C . HIS A 1 51 ? 35.526 11.889 -14.079 1.00 0.00 ? 49 HIS A C 1 ATOM 407 O O . HIS A 1 51 ? 36.087 11.251 -15.027 1.00 0.00 ? 49 HIS A O 1 ATOM 408 C CB . HIS A 1 51 ? 37.021 12.451 -12.060 1.00 0.00 ? 49 HIS A CB 1 ATOM 409 C CG . HIS A 1 51 ? 38.259 13.245 -11.944 1.00 0.00 ? 49 HIS A CG 1 ATOM 410 N ND1 . HIS A 1 51 ? 39.229 13.372 -12.946 1.00 0.00 ? 49 HIS A ND1 1 ATOM 411 C CD2 . HIS A 1 51 ? 38.569 14.188 -11.038 1.00 0.00 ? 49 HIS A CD2 1 ATOM 412 C CE1 . HIS A 1 51 ? 40.033 14.441 -12.507 1.00 0.00 ? 49 HIS A CE1 1 ATOM 413 N NE2 . HIS A 1 51 ? 39.584 14.995 -11.421 1.00 0.00 ? 49 HIS A NE2 1 ATOM 414 N N . ARG A 1 52 ? 34.194 11.678 -13.794 1.00 0.00 ? 50 ARG A N 1 ATOM 415 C CA . ARG A 1 52 ? 33.407 10.735 -14.641 1.00 0.00 ? 50 ARG A CA 1 ATOM 416 C C . ARG A 1 52 ? 31.902 10.882 -14.377 1.00 0.00 ? 50 ARG A C 1 ATOM 417 O O . ARG A 1 52 ? 31.492 11.628 -13.484 1.00 0.00 ? 50 ARG A O 1 ATOM 418 C CB . ARG A 1 52 ? 33.722 9.189 -14.495 1.00 0.00 ? 50 ARG A CB 1 ATOM 419 C CG . ARG A 1 52 ? 33.884 8.730 -13.012 1.00 0.00 ? 50 ARG A CG 1 ATOM 420 C CD . ARG A 1 52 ? 35.379 8.648 -12.556 1.00 0.00 ? 50 ARG A CD 1 ATOM 421 N NE . ARG A 1 52 ? 35.468 8.134 -11.201 1.00 0.00 ? 50 ARG A NE 1 ATOM 422 C CZ . ARG A 1 52 ? 35.090 8.890 -10.129 1.00 0.00 ? 50 ARG A CZ 1 ATOM 423 N NH1 . ARG A 1 52 ? 34.923 10.264 -10.283 1.00 0.00 ? 50 ARG A NH1 1 ATOM 424 N NH2 . ARG A 1 52 ? 34.869 8.370 -8.871 1.00 0.00 ? 50 ARG A NH2 1 ATOM 425 N N . LEU A 1 53 ? 31.124 10.357 -15.318 1.00 0.00 ? 51 LEU A N 1 ATOM 426 C CA . LEU A 1 53 ? 29.736 10.488 -15.409 1.00 0.00 ? 51 LEU A CA 1 ATOM 427 C C . LEU A 1 53 ? 29.210 9.269 -14.756 1.00 0.00 ? 51 LEU A C 1 ATOM 428 O O . LEU A 1 53 ? 29.806 8.205 -14.889 1.00 0.00 ? 51 LEU A O 1 ATOM 429 C CB . LEU A 1 53 ? 29.213 10.406 -16.850 1.00 0.00 ? 51 LEU A CB 1 ATOM 430 C CG . LEU A 1 53 ? 29.352 11.662 -17.781 1.00 0.00 ? 51 LEU A CG 1 ATOM 431 C CD1 . LEU A 1 53 ? 30.828 12.072 -18.049 1.00 0.00 ? 51 LEU A CD1 1 ATOM 432 C CD2 . LEU A 1 53 ? 28.693 11.417 -19.112 1.00 0.00 ? 51 LEU A CD2 1 ATOM 433 N N . GLU A 1 54 ? 28.083 9.397 -14.068 1.00 0.00 ? 52 GLU A N 1 ATOM 434 C CA . GLU A 1 54 ? 27.418 8.269 -13.420 1.00 0.00 ? 52 GLU A CA 1 ATOM 435 C C . GLU A 1 54 ? 25.963 8.392 -13.653 1.00 0.00 ? 52 GLU A C 1 ATOM 436 O O . GLU A 1 54 ? 25.425 9.518 -13.700 1.00 0.00 ? 52 GLU A O 1 ATOM 437 C CB . GLU A 1 54 ? 27.635 8.213 -11.923 1.00 0.00 ? 52 GLU A CB 1 ATOM 438 C CG . GLU A 1 54 ? 29.088 8.432 -11.509 1.00 0.00 ? 52 GLU A CG 1 ATOM 439 C CD . GLU A 1 54 ? 29.996 7.156 -11.814 1.00 0.00 ? 52 GLU A CD 1 ATOM 440 O OE1 . GLU A 1 54 ? 29.809 6.087 -11.215 1.00 0.00 ? 52 GLU A OE1 1 ATOM 441 O OE2 . GLU A 1 54 ? 30.942 7.376 -12.595 1.00 0.00 ? 52 GLU A OE2 1 ATOM 442 N N . HIS A 1 55 ? 25.285 7.142 -13.547 1.00 0.00 ? 53 HIS A N 1 ATOM 443 C CA . HIS A 1 55 ? 23.891 6.834 -13.303 1.00 0.00 ? 53 HIS A CA 1 ATOM 444 C C . HIS A 1 55 ? 23.707 6.943 -11.867 1.00 0.00 ? 53 HIS A C 1 ATOM 445 O O . HIS A 1 55 ? 24.663 7.144 -11.076 1.00 0.00 ? 53 HIS A O 1 ATOM 446 C CB . HIS A 1 55 ? 23.359 5.422 -13.817 1.00 0.00 ? 53 HIS A CB 1 ATOM 447 C CG . HIS A 1 55 ? 24.151 4.897 -14.865 1.00 0.00 ? 53 HIS A CG 1 ATOM 448 N ND1 . HIS A 1 55 ? 25.454 4.432 -14.751 1.00 0.00 ? 53 HIS A ND1 1 ATOM 449 C CD2 . HIS A 1 55 ? 23.789 4.882 -16.126 1.00 0.00 ? 53 HIS A CD2 1 ATOM 450 C CE1 . HIS A 1 55 ? 25.754 4.025 -16.016 1.00 0.00 ? 53 HIS A CE1 1 ATOM 451 N NE2 . HIS A 1 55 ? 24.801 4.227 -16.890 1.00 0.00 ? 53 HIS A NE2 1 ATOM 452 N N . GLY A 1 56 ? 22.456 7.003 -11.354 1.00 0.00 ? 54 GLY A N 1 ATOM 453 C CA . GLY A 1 56 ? 22.133 7.258 -9.937 1.00 0.00 ? 54 GLY A CA 1 ATOM 454 C C . GLY A 1 56 ? 22.873 6.466 -8.879 1.00 0.00 ? 54 GLY A C 1 ATOM 455 O O . GLY A 1 56 ? 23.524 7.064 -8.030 1.00 0.00 ? 54 GLY A O 1 ATOM 456 N N . ASP A 1 57 ? 22.791 5.118 -9.026 1.00 0.00 ? 55 ASP A N 1 ATOM 457 C CA . ASP A 1 57 ? 23.589 4.263 -8.248 1.00 0.00 ? 55 ASP A CA 1 ATOM 458 C C . ASP A 1 57 ? 24.369 3.551 -9.257 1.00 0.00 ? 55 ASP A C 1 ATOM 459 O O . ASP A 1 57 ? 25.264 2.750 -8.901 1.00 0.00 ? 55 ASP A O 1 ATOM 460 C CB . ASP A 1 57 ? 22.958 3.174 -7.364 1.00 0.00 ? 55 ASP A CB 1 ATOM 461 C CG . ASP A 1 57 ? 22.406 3.919 -6.085 1.00 0.00 ? 55 ASP A CG 1 ATOM 462 O OD1 . ASP A 1 57 ? 22.713 5.079 -5.751 1.00 0.00 ? 55 ASP A OD1 1 ATOM 463 O OD2 . ASP A 1 57 ? 21.791 3.156 -5.268 1.00 0.00 ? 55 ASP A OD2 1 ATOM 464 N N . GLY A 1 58 ? 24.118 3.806 -10.596 1.00 0.00 ? 56 GLY A N 1 ATOM 465 C CA . GLY A 1 58 ? 24.784 3.022 -11.574 1.00 0.00 ? 56 GLY A CA 1 ATOM 466 C C . GLY A 1 58 ? 26.203 3.539 -11.712 1.00 0.00 ? 56 GLY A C 1 ATOM 467 O O . GLY A 1 58 ? 26.399 4.733 -11.541 1.00 0.00 ? 56 GLY A O 1 ATOM 468 N N . GLY A 1 59 ? 27.133 2.632 -11.860 1.00 0.00 ? 57 GLY A N 1 ATOM 469 C CA . GLY A 1 59 ? 28.557 2.757 -11.929 1.00 0.00 ? 57 GLY A CA 1 ATOM 470 C C . GLY A 1 59 ? 29.046 3.625 -12.985 1.00 0.00 ? 57 GLY A C 1 ATOM 471 O O . GLY A 1 59 ? 28.348 4.383 -13.593 1.00 0.00 ? 57 GLY A O 1 ATOM 472 N N . ILE A 1 60 ? 30.384 3.588 -13.005 1.00 0.00 ? 58 ILE A N 1 ATOM 473 C CA . ILE A 1 60 ? 31.142 4.490 -13.840 1.00 0.00 ? 58 ILE A CA 1 ATOM 474 C C . ILE A 1 60 ? 30.998 4.075 -15.258 1.00 0.00 ? 58 ILE A C 1 ATOM 475 O O . ILE A 1 60 ? 31.350 2.960 -15.644 1.00 0.00 ? 58 ILE A O 1 ATOM 476 C CB . ILE A 1 60 ? 32.696 4.432 -13.534 1.00 0.00 ? 58 ILE A CB 1 ATOM 477 C CG1 . ILE A 1 60 ? 32.987 4.821 -12.061 1.00 0.00 ? 58 ILE A CG1 1 ATOM 478 C CG2 . ILE A 1 60 ? 33.497 5.246 -14.512 1.00 0.00 ? 58 ILE A CG2 1 ATOM 479 C CD1 . ILE A 1 60 ? 32.365 4.082 -10.941 1.00 0.00 ? 58 ILE A CD1 1 ATOM 480 N N . LEU A 1 61 ? 30.594 5.043 -16.162 1.00 0.00 ? 59 LEU A N 1 ATOM 481 C CA . LEU A 1 61 ? 30.605 4.818 -17.555 1.00 0.00 ? 59 LEU A CA 1 ATOM 482 C C . LEU A 1 61 ? 31.865 5.097 -17.999 1.00 0.00 ? 59 LEU A C 1 ATOM 483 O O . LEU A 1 61 ? 32.327 6.177 -17.740 1.00 0.00 ? 59 LEU A O 1 ATOM 484 C CB . LEU A 1 61 ? 29.549 5.619 -18.312 1.00 0.00 ? 59 LEU A CB 1 ATOM 485 C CG . LEU A 1 61 ? 28.879 4.742 -19.334 1.00 0.00 ? 59 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 61 ? 27.332 4.715 -19.340 1.00 0.00 ? 59 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 61 ? 29.314 5.160 -20.716 1.00 0.00 ? 59 LEU A CD2 1 ATOM 488 N N . ASP A 1 62 ? 32.461 4.203 -18.763 1.00 0.00 ? 60 ASP A N 1 ATOM 489 C CA . ASP A 1 62 ? 33.744 4.396 -19.409 1.00 0.00 ? 60 ASP A CA 1 ATOM 490 C C . ASP A 1 62 ? 33.581 5.713 -20.228 1.00 0.00 ? 60 ASP A C 1 ATOM 491 O O . ASP A 1 62 ? 32.476 6.118 -20.554 1.00 0.00 ? 60 ASP A O 1 ATOM 492 C CB . ASP A 1 62 ? 34.265 3.146 -20.255 1.00 0.00 ? 60 ASP A CB 1 ATOM 493 C CG . ASP A 1 62 ? 35.671 3.324 -20.718 1.00 0.00 ? 60 ASP A CG 1 ATOM 494 O OD1 . ASP A 1 62 ? 36.452 4.070 -20.048 1.00 0.00 ? 60 ASP A OD1 1 ATOM 495 O OD2 . ASP A 1 62 ? 36.000 2.705 -21.762 1.00 0.00 ? 60 ASP A OD2 1 ATOM 496 N N . LEU A 1 63 ? 34.697 6.406 -20.156 1.00 0.00 ? 61 LEU A N 1 ATOM 497 C CA . LEU A 1 63 ? 34.798 7.775 -20.330 1.00 0.00 ? 61 LEU A CA 1 ATOM 498 C C . LEU A 1 63 ? 35.478 8.113 -21.647 1.00 0.00 ? 61 LEU A C 1 ATOM 499 O O . LEU A 1 63 ? 36.214 9.097 -21.780 1.00 0.00 ? 61 LEU A O 1 ATOM 500 C CB . LEU A 1 63 ? 35.569 8.469 -19.163 1.00 0.00 ? 61 LEU A CB 1 ATOM 501 C CG . LEU A 1 63 ? 36.413 7.568 -18.265 1.00 0.00 ? 61 LEU A CG 1 ATOM 502 C CD1 . LEU A 1 63 ? 37.715 7.067 -18.972 1.00 0.00 ? 61 LEU A CD1 1 ATOM 503 C CD2 . LEU A 1 63 ? 36.781 8.337 -16.986 1.00 0.00 ? 61 LEU A CD2 1 ATOM 504 N N . ASP A 1 64 ? 35.255 7.325 -22.667 1.00 0.00 ? 62 ASP A N 1 ATOM 505 C CA . ASP A 1 64 ? 35.876 7.574 -23.952 1.00 0.00 ? 62 ASP A CA 1 ATOM 506 C C . ASP A 1 64 ? 34.967 7.166 -24.966 1.00 0.00 ? 62 ASP A C 1 ATOM 507 O O . ASP A 1 64 ? 35.000 7.829 -26.025 1.00 0.00 ? 62 ASP A O 1 ATOM 508 C CB . ASP A 1 64 ? 37.220 6.800 -24.179 1.00 0.00 ? 62 ASP A CB 1 ATOM 509 C CG . ASP A 1 64 ? 37.142 5.515 -23.505 1.00 0.00 ? 62 ASP A CG 1 ATOM 510 O OD1 . ASP A 1 64 ? 37.455 5.491 -22.314 1.00 0.00 ? 62 ASP A OD1 1 ATOM 511 O OD2 . ASP A 1 64 ? 36.648 4.526 -24.153 1.00 0.00 ? 62 ASP A OD2 1 ATOM 512 N N . ASP A 1 65 ? 34.219 6.121 -24.842 1.00 0.00 ? 63 ASP A N 1 ATOM 513 C CA . ASP A 1 65 ? 33.392 5.524 -25.891 1.00 0.00 ? 63 ASP A CA 1 ATOM 514 C C . ASP A 1 65 ? 32.441 6.393 -26.556 1.00 0.00 ? 63 ASP A C 1 ATOM 515 O O . ASP A 1 65 ? 32.199 7.502 -26.100 1.00 0.00 ? 63 ASP A O 1 ATOM 516 C CB . ASP A 1 65 ? 32.669 4.182 -25.393 1.00 0.00 ? 63 ASP A CB 1 ATOM 517 C CG . ASP A 1 65 ? 33.532 2.998 -25.589 1.00 0.00 ? 63 ASP A CG 1 ATOM 518 O OD1 . ASP A 1 65 ? 34.508 2.848 -24.796 1.00 0.00 ? 63 ASP A OD1 1 ATOM 519 O OD2 . ASP A 1 65 ? 33.315 2.236 -26.553 1.00 0.00 ? 63 ASP A OD2 1 ATOM 520 N N . ILE A 1 66 ? 31.885 5.907 -27.711 1.00 0.00 ? 64 ILE A N 1 ATOM 521 C CA . ILE A 1 66 ? 30.868 6.530 -28.464 1.00 0.00 ? 64 ILE A CA 1 ATOM 522 C C . ILE A 1 66 ? 29.773 6.465 -27.532 1.00 0.00 ? 64 ILE A C 1 ATOM 523 O O . ILE A 1 66 ? 29.323 5.347 -27.247 1.00 0.00 ? 64 ILE A O 1 ATOM 524 C CB . ILE A 1 66 ? 30.379 5.867 -29.787 1.00 0.00 ? 64 ILE A CB 1 ATOM 525 C CG1 . ILE A 1 66 ? 31.399 6.114 -30.932 1.00 0.00 ? 64 ILE A CG1 1 ATOM 526 C CG2 . ILE A 1 66 ? 28.989 6.383 -30.221 1.00 0.00 ? 64 ILE A CG2 1 ATOM 527 C CD1 . ILE A 1 66 ? 31.920 7.637 -31.145 1.00 0.00 ? 64 ILE A CD1 1 ATOM 528 N N . LEU A 1 67 ? 29.344 7.627 -27.006 1.00 0.00 ? 65 LEU A N 1 ATOM 529 C CA . LEU A 1 67 ? 28.434 7.702 -25.922 1.00 0.00 ? 65 LEU A CA 1 ATOM 530 C C . LEU A 1 67 ? 27.162 7.023 -26.349 1.00 0.00 ? 65 LEU A C 1 ATOM 531 O O . LEU A 1 67 ? 26.583 6.278 -25.577 1.00 0.00 ? 65 LEU A O 1 ATOM 532 C CB . LEU A 1 67 ? 28.211 9.119 -25.370 1.00 0.00 ? 65 LEU A CB 1 ATOM 533 C CG . LEU A 1 67 ? 27.803 10.338 -26.284 1.00 0.00 ? 65 LEU A CG 1 ATOM 534 C CD1 . LEU A 1 67 ? 28.769 10.629 -27.427 1.00 0.00 ? 65 LEU A CD1 1 ATOM 535 C CD2 . LEU A 1 67 ? 26.309 10.477 -26.618 1.00 0.00 ? 65 LEU A CD2 1 ATOM 536 N N . CYS A 1 68 ? 26.644 7.352 -27.509 1.00 0.00 ? 66 CYS A N 1 ATOM 537 C CA . CYS A 1 68 ? 25.301 6.905 -27.879 1.00 0.00 ? 66 CYS A CA 1 ATOM 538 C C . CYS A 1 68 ? 25.270 5.428 -28.008 1.00 0.00 ? 66 CYS A C 1 ATOM 539 O O . CYS A 1 68 ? 24.159 4.914 -28.037 1.00 0.00 ? 66 CYS A O 1 ATOM 540 C CB . CYS A 1 68 ? 24.779 7.512 -29.190 1.00 0.00 ? 66 CYS A CB 1 ATOM 541 S SG . CYS A 1 68 ? 25.861 7.048 -30.603 1.00 0.00 ? 66 CYS A SG 1 ATOM 542 N N . ASP A 1 69 ? 26.357 4.644 -28.071 1.00 0.00 ? 67 ASP A N 1 ATOM 543 C CA . ASP A 1 69 ? 26.115 3.241 -28.203 1.00 0.00 ? 67 ASP A CA 1 ATOM 544 C C . ASP A 1 69 ? 26.161 2.545 -26.871 1.00 0.00 ? 67 ASP A C 1 ATOM 545 O O . ASP A 1 69 ? 25.856 1.370 -26.757 1.00 0.00 ? 67 ASP A O 1 ATOM 546 C CB . ASP A 1 69 ? 27.249 2.658 -29.138 1.00 0.00 ? 67 ASP A CB 1 ATOM 547 C CG . ASP A 1 69 ? 26.887 1.277 -29.658 1.00 0.00 ? 67 ASP A CG 1 ATOM 548 O OD1 . ASP A 1 69 ? 25.764 0.810 -29.365 1.00 0.00 ? 67 ASP A OD1 1 ATOM 549 O OD2 . ASP A 1 69 ? 27.736 0.569 -30.282 1.00 0.00 ? 67 ASP A OD2 1 ATOM 550 N N . VAL A 1 70 ? 26.605 3.259 -25.835 1.00 0.00 ? 68 VAL A N 1 ATOM 551 C CA . VAL A 1 70 ? 26.768 2.689 -24.540 1.00 0.00 ? 68 VAL A CA 1 ATOM 552 C C . VAL A 1 70 ? 25.583 3.152 -23.852 1.00 0.00 ? 68 VAL A C 1 ATOM 553 O O . VAL A 1 70 ? 24.579 2.496 -23.715 1.00 0.00 ? 68 VAL A O 1 ATOM 554 C CB . VAL A 1 70 ? 28.060 3.157 -23.890 1.00 0.00 ? 68 VAL A CB 1 ATOM 555 C CG1 . VAL A 1 70 ? 28.098 2.300 -22.592 1.00 0.00 ? 68 VAL A CG1 1 ATOM 556 C CG2 . VAL A 1 70 ? 29.189 2.687 -24.820 1.00 0.00 ? 68 VAL A CG2 1 ATOM 557 N N . ALA A 1 71 ? 25.720 4.424 -23.528 1.00 0.00 ? 69 ALA A N 1 ATOM 558 C CA . ALA A 1 71 ? 24.664 5.223 -22.997 1.00 0.00 ? 69 ALA A CA 1 ATOM 559 C C . ALA A 1 71 ? 23.617 5.478 -23.989 1.00 0.00 ? 69 ALA A C 1 ATOM 560 O O . ALA A 1 71 ? 23.860 5.520 -25.221 1.00 0.00 ? 69 ALA A O 1 ATOM 561 C CB . ALA A 1 71 ? 25.352 6.514 -22.425 1.00 0.00 ? 69 ALA A CB 1 ATOM 562 N N . ASP A 1 72 ? 22.380 5.464 -23.480 1.00 0.00 ? 70 ASP A N 1 ATOM 563 C CA . ASP A 1 72 ? 21.122 5.525 -24.134 1.00 0.00 ? 70 ASP A CA 1 ATOM 564 C C . ASP A 1 72 ? 20.777 6.988 -24.106 1.00 0.00 ? 70 ASP A C 1 ATOM 565 O O . ASP A 1 72 ? 21.659 7.757 -24.111 1.00 0.00 ? 70 ASP A O 1 ATOM 566 C CB . ASP A 1 72 ? 20.150 4.519 -23.498 1.00 0.00 ? 70 ASP A CB 1 ATOM 567 C CG . ASP A 1 72 ? 20.534 4.438 -22.016 1.00 0.00 ? 70 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 72 ? 20.573 5.518 -21.451 1.00 0.00 ? 70 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 72 ? 20.818 3.315 -21.517 1.00 0.00 ? 70 ASP A OD2 1 ATOM 570 N N . ASP A 1 73 ? 19.463 7.394 -24.211 1.00 0.00 ? 71 ASP A N 1 ATOM 571 C CA . ASP A 1 73 ? 19.184 8.836 -24.334 1.00 0.00 ? 71 ASP A CA 1 ATOM 572 C C . ASP A 1 73 ? 18.184 9.321 -23.380 1.00 0.00 ? 71 ASP A C 1 ATOM 573 O O . ASP A 1 73 ? 17.411 8.558 -22.857 1.00 0.00 ? 71 ASP A O 1 ATOM 574 C CB . ASP A 1 73 ? 18.713 9.211 -25.822 1.00 0.00 ? 71 ASP A CB 1 ATOM 575 C CG . ASP A 1 73 ? 18.926 10.711 -26.198 1.00 0.00 ? 71 ASP A CG 1 ATOM 576 O OD1 . ASP A 1 73 ? 20.103 11.208 -26.061 1.00 0.00 ? 71 ASP A OD1 1 ATOM 577 O OD2 . ASP A 1 73 ? 18.016 11.389 -26.594 1.00 0.00 ? 71 ASP A OD2 1 ATOM 578 N N . LYS A 1 74 ? 18.304 10.608 -23.127 1.00 0.00 ? 72 LYS A N 1 ATOM 579 C CA . LYS A 1 74 ? 17.452 11.397 -22.277 1.00 0.00 ? 72 LYS A CA 1 ATOM 580 C C . LYS A 1 74 ? 17.611 10.971 -20.879 1.00 0.00 ? 72 LYS A C 1 ATOM 581 O O . LYS A 1 74 ? 16.753 10.784 -20.085 1.00 0.00 ? 72 LYS A O 1 ATOM 582 C CB . LYS A 1 74 ? 15.946 11.398 -22.586 1.00 0.00 ? 72 LYS A CB 1 ATOM 583 C CG . LYS A 1 74 ? 15.701 11.521 -24.129 1.00 0.00 ? 72 LYS A CG 1 ATOM 584 C CD . LYS A 1 74 ? 16.151 12.820 -24.801 1.00 0.00 ? 72 LYS A CD 1 ATOM 585 C CE . LYS A 1 74 ? 15.548 14.034 -24.063 1.00 0.00 ? 72 LYS A CE 1 ATOM 586 N NZ . LYS A 1 74 ? 14.046 14.055 -23.976 1.00 0.00 ? 72 LYS A NZ 1 ATOM 587 N N . ASP A 1 75 ? 18.887 10.724 -20.568 1.00 0.00 ? 73 ASP A N 1 ATOM 588 C CA . ASP A 1 75 ? 19.239 10.270 -19.263 1.00 0.00 ? 73 ASP A CA 1 ATOM 589 C C . ASP A 1 75 ? 19.849 11.391 -18.473 1.00 0.00 ? 73 ASP A C 1 ATOM 590 O O . ASP A 1 75 ? 20.637 12.170 -19.019 1.00 0.00 ? 73 ASP A O 1 ATOM 591 C CB . ASP A 1 75 ? 20.073 9.057 -19.272 1.00 0.00 ? 73 ASP A CB 1 ATOM 592 C CG . ASP A 1 75 ? 19.642 8.243 -20.425 1.00 0.00 ? 73 ASP A CG 1 ATOM 593 O OD1 . ASP A 1 75 ? 18.601 7.549 -20.212 1.00 0.00 ? 73 ASP A OD1 1 ATOM 594 O OD2 . ASP A 1 75 ? 20.389 8.311 -21.396 1.00 0.00 ? 73 ASP A OD2 1 ATOM 595 N N . ARG A 1 76 ? 19.601 11.344 -17.179 1.00 0.00 ? 74 ARG A N 1 ATOM 596 C CA . ARG A 1 76 ? 20.370 12.107 -16.197 1.00 0.00 ? 74 ARG A CA 1 ATOM 597 C C . ARG A 1 76 ? 21.532 11.314 -15.651 1.00 0.00 ? 74 ARG A C 1 ATOM 598 O O . ARG A 1 76 ? 21.284 10.395 -14.835 1.00 0.00 ? 74 ARG A O 1 ATOM 599 C CB . ARG A 1 76 ? 19.456 12.576 -15.013 1.00 0.00 ? 74 ARG A CB 1 ATOM 600 C CG . ARG A 1 76 ? 18.506 13.661 -15.441 1.00 0.00 ? 74 ARG A CG 1 ATOM 601 C CD . ARG A 1 76 ? 17.497 14.050 -14.323 1.00 0.00 ? 74 ARG A CD 1 ATOM 602 N NE . ARG A 1 76 ? 18.097 14.054 -12.878 1.00 0.00 ? 74 ARG A NE 1 ATOM 603 C CZ . ARG A 1 76 ? 17.586 14.594 -11.792 1.00 0.00 ? 74 ARG A CZ 1 ATOM 604 N NH1 . ARG A 1 76 ? 16.686 15.592 -11.857 1.00 0.00 ? 74 ARG A NH1 1 ATOM 605 N NH2 . ARG A 1 76 ? 18.071 14.256 -10.529 1.00 0.00 ? 74 ARG A NH2 1 ATOM 606 N N . LEU A 1 77 ? 22.758 11.786 -15.961 1.00 0.00 ? 75 LEU A N 1 ATOM 607 C CA . LEU A 1 77 ? 24.065 11.389 -15.434 1.00 0.00 ? 75 LEU A CA 1 ATOM 608 C C . LEU A 1 77 ? 24.545 12.535 -14.660 1.00 0.00 ? 75 LEU A C 1 ATOM 609 O O . LEU A 1 77 ? 24.201 13.622 -15.110 1.00 0.00 ? 75 LEU A O 1 ATOM 610 C CB . LEU A 1 77 ? 25.068 11.048 -16.496 1.00 0.00 ? 75 LEU A CB 1 ATOM 611 C CG . LEU A 1 77 ? 24.660 9.975 -17.557 1.00 0.00 ? 75 LEU A CG 1 ATOM 612 C CD1 . LEU A 1 77 ? 24.050 8.639 -17.015 1.00 0.00 ? 75 LEU A CD1 1 ATOM 613 C CD2 . LEU A 1 77 ? 23.706 10.639 -18.548 1.00 0.00 ? 75 LEU A CD2 1 ATOM 614 N N . VAL A 1 78 ? 25.332 12.301 -13.594 1.00 0.00 ? 76 VAL A N 1 ATOM 615 C CA . VAL A 1 78 ? 25.898 13.306 -12.733 1.00 0.00 ? 76 VAL A CA 1 ATOM 616 C C . VAL A 1 78 ? 27.321 13.416 -13.183 1.00 0.00 ? 76 VAL A C 1 ATOM 617 O O . VAL A 1 78 ? 27.760 12.427 -13.758 1.00 0.00 ? 76 VAL A O 1 ATOM 618 C CB . VAL A 1 78 ? 25.862 12.907 -11.244 1.00 0.00 ? 76 VAL A CB 1 ATOM 619 C CG1 . VAL A 1 78 ? 24.414 12.469 -10.947 1.00 0.00 ? 76 VAL A CG1 1 ATOM 620 C CG2 . VAL A 1 78 ? 26.874 11.713 -11.009 1.00 0.00 ? 76 VAL A CG2 1 ATOM 621 N N . ALA A 1 79 ? 27.962 14.476 -12.733 1.00 0.00 ? 77 ALA A N 1 ATOM 622 C CA . ALA A 1 79 ? 29.335 14.642 -12.948 1.00 0.00 ? 77 ALA A CA 1 ATOM 623 C C . ALA A 1 79 ? 30.039 15.089 -11.678 1.00 0.00 ? 77 ALA A C 1 ATOM 624 O O . ALA A 1 79 ? 29.712 16.124 -11.087 1.00 0.00 ? 77 ALA A O 1 ATOM 625 C CB . ALA A 1 79 ? 29.610 15.803 -13.992 1.00 0.00 ? 77 ALA A CB 1 ATOM 626 N N . VAL A 1 80 ? 31.035 14.238 -11.314 1.00 0.00 ? 78 VAL A N 1 ATOM 627 C CA . VAL A 1 80 ? 32.053 14.152 -10.326 1.00 0.00 ? 78 VAL A CA 1 ATOM 628 C C . VAL A 1 80 ? 33.323 14.669 -10.789 1.00 0.00 ? 78 VAL A C 1 ATOM 629 O O . VAL A 1 80 ? 33.865 14.199 -11.746 1.00 0.00 ? 78 VAL A O 1 ATOM 630 C CB . VAL A 1 80 ? 32.340 12.815 -9.678 1.00 0.00 ? 78 VAL A CB 1 ATOM 631 C CG1 . VAL A 1 80 ? 33.202 12.953 -8.450 1.00 0.00 ? 78 VAL A CG1 1 ATOM 632 C CG2 . VAL A 1 80 ? 30.999 12.191 -9.260 1.00 0.00 ? 78 VAL A CG2 1 ATOM 633 N N . PHE A 1 81 ? 33.712 15.808 -10.178 1.00 0.00 ? 79 PHE A N 1 ATOM 634 C CA . PHE A 1 81 ? 34.615 16.779 -10.617 1.00 0.00 ? 79 PHE A CA 1 ATOM 635 C C . PHE A 1 81 ? 35.436 17.381 -9.451 1.00 0.00 ? 79 PHE A C 1 ATOM 636 O O . PHE A 1 81 ? 34.961 17.417 -8.339 1.00 0.00 ? 79 PHE A O 1 ATOM 637 C CB . PHE A 1 81 ? 33.727 17.982 -10.949 1.00 0.00 ? 79 PHE A CB 1 ATOM 638 C CG . PHE A 1 81 ? 32.850 18.555 -9.748 1.00 0.00 ? 79 PHE A CG 1 ATOM 639 C CD1 . PHE A 1 81 ? 31.754 17.934 -9.255 1.00 0.00 ? 79 PHE A CD1 1 ATOM 640 C CD2 . PHE A 1 81 ? 33.293 19.747 -9.091 1.00 0.00 ? 79 PHE A CD2 1 ATOM 641 C CE1 . PHE A 1 81 ? 30.977 18.575 -8.288 1.00 0.00 ? 79 PHE A CE1 1 ATOM 642 C CE2 . PHE A 1 81 ? 32.604 20.260 -7.981 1.00 0.00 ? 79 PHE A CE2 1 ATOM 643 C CZ . PHE A 1 81 ? 31.348 19.791 -7.722 1.00 0.00 ? 79 PHE A CZ 1 ATOM 644 N N . ASP A 1 82 ? 36.434 18.188 -9.891 1.00 0.00 ? 80 ASP A N 1 ATOM 645 C CA . ASP A 1 82 ? 36.955 19.347 -9.170 1.00 0.00 ? 80 ASP A CA 1 ATOM 646 C C . ASP A 1 82 ? 36.892 20.368 -10.256 1.00 0.00 ? 80 ASP A C 1 ATOM 647 O O . ASP A 1 82 ? 37.183 19.987 -11.411 1.00 0.00 ? 80 ASP A O 1 ATOM 648 C CB . ASP A 1 82 ? 38.258 19.010 -8.426 1.00 0.00 ? 80 ASP A CB 1 ATOM 649 C CG . ASP A 1 82 ? 37.781 18.140 -7.311 1.00 0.00 ? 80 ASP A CG 1 ATOM 650 O OD1 . ASP A 1 82 ? 37.761 16.939 -7.524 1.00 0.00 ? 80 ASP A OD1 1 ATOM 651 O OD2 . ASP A 1 82 ? 37.542 18.694 -6.187 1.00 0.00 ? 80 ASP A OD2 1 ATOM 652 N N . GLU A 1 83 ? 36.595 21.621 -9.963 1.00 0.00 ? 81 GLU A N 1 ATOM 653 C CA . GLU A 1 83 ? 36.562 22.655 -10.987 1.00 0.00 ? 81 GLU A CA 1 ATOM 654 C C . GLU A 1 83 ? 36.645 23.966 -10.327 1.00 0.00 ? 81 GLU A C 1 ATOM 655 O O . GLU A 1 83 ? 36.541 25.006 -10.921 1.00 0.00 ? 81 GLU A O 1 ATOM 656 C CB . GLU A 1 83 ? 35.337 22.525 -12.002 1.00 0.00 ? 81 GLU A CB 1 ATOM 657 C CG . GLU A 1 83 ? 34.001 23.197 -11.604 1.00 0.00 ? 81 GLU A CG 1 ATOM 658 C CD . GLU A 1 83 ? 33.336 22.690 -10.352 1.00 0.00 ? 81 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 83 ? 34.046 22.863 -9.324 1.00 0.00 ? 81 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 83 ? 32.201 22.187 -10.317 1.00 0.00 ? 81 GLU A OE2 1 ATOM 661 N N . GLN A 1 84 ? 36.882 23.923 -9.005 1.00 0.00 ? 82 GLN A N 1 ATOM 662 C CA . GLN A 1 84 ? 36.884 25.145 -8.132 1.00 0.00 ? 82 GLN A CA 1 ATOM 663 C C . GLN A 1 84 ? 38.250 25.877 -8.289 1.00 0.00 ? 82 GLN A C 1 ATOM 664 O O . GLN A 1 84 ? 38.899 26.309 -7.341 1.00 0.00 ? 82 GLN A O 1 ATOM 665 C CB . GLN A 1 84 ? 36.649 24.772 -6.682 1.00 0.00 ? 82 GLN A CB 1 ATOM 666 C CG . GLN A 1 84 ? 35.430 23.831 -6.496 1.00 0.00 ? 82 GLN A CG 1 ATOM 667 C CD . GLN A 1 84 ? 34.956 23.772 -5.031 1.00 0.00 ? 82 GLN A CD 1 ATOM 668 O OE1 . GLN A 1 84 ? 33.774 23.491 -4.844 1.00 0.00 ? 82 GLN A OE1 1 ATOM 669 N NE2 . GLN A 1 84 ? 35.841 23.813 -4.035 1.00 0.00 ? 82 GLN A NE2 1 ATOM 670 O OXT . GLN A 1 84 ? 38.667 25.998 -9.526 1.00 0.00 ? 82 GLN A OXT 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 -1 -1 SER SER A . n A 1 2 GLU 2 0 0 GLU GLU A . n A 1 3 PHE 3 1 1 PHE PHE A . n A 1 4 LYS 4 2 2 LYS LYS A . n A 1 5 VAL 5 3 3 VAL VAL A . n A 1 6 THR 6 4 4 THR THR A . n A 1 7 VAL 7 5 5 VAL VAL A . n A 1 8 CYS 8 6 6 CYS CYS A . n A 1 9 PHE 9 7 7 PHE PHE A . n A 1 10 GLY 10 8 8 GLY GLY A . n A 1 11 ARG 11 9 9 ARG ARG A . n A 1 12 THR 12 10 10 THR THR A . n A 1 13 ARG 13 11 11 ARG ARG A . n A 1 14 VAL 14 12 12 VAL VAL A . n A 1 15 VAL 15 13 13 VAL VAL A . n A 1 16 VAL 16 14 14 VAL VAL A . n A 1 17 PRO 17 15 15 PRO PRO A . n A 1 18 CYS 18 16 16 CYS CYS A . n A 1 19 GLY 19 17 17 GLY GLY A . n A 1 20 ASP 20 18 18 ASP ASP A . n A 1 21 GLY 21 19 19 GLY GLY A . n A 1 22 ARG 22 20 20 ARG ARG A . n A 1 23 MET 23 21 21 MET MET A . n A 1 24 LYS 24 22 22 LYS LYS A . n A 1 25 VAL 25 23 23 VAL VAL A . n A 1 26 PHE 26 24 24 PHE PHE A . n A 1 27 SER 27 25 25 SER SER A . n A 1 28 LEU 28 26 26 LEU LEU A . n A 1 29 ILE 29 27 27 ILE ILE A . n A 1 30 GLN 30 28 28 GLN GLN A . n A 1 31 GLN 31 29 29 GLN GLN A . n A 1 32 ALA 32 30 30 ALA ALA A . n A 1 33 VAL 33 31 31 VAL VAL A . n A 1 34 THR 34 32 32 THR THR A . n A 1 35 ARG 35 33 33 ARG ARG A . n A 1 36 TYR 36 34 34 TYR TYR A . n A 1 37 ARG 37 35 35 ARG ARG A . n A 1 38 LYS 38 36 36 LYS LYS A . n A 1 39 ALA 39 37 37 ALA ALA A . n A 1 40 VAL 40 38 38 VAL VAL A . n A 1 41 ALA 41 39 39 ALA ALA A . n A 1 42 LYS 42 40 40 LYS LYS A . n A 1 43 ASP 43 41 41 ASP ASP A . n A 1 44 PRO 44 42 42 PRO PRO A . n A 1 45 ASN 45 43 43 ASN ASN A . n A 1 46 TYR 46 44 44 TYR TYR A . n A 1 47 TRP 47 45 45 TRP TRP A . n A 1 48 ILE 48 46 46 ILE ILE A . n A 1 49 GLN 49 47 47 GLN GLN A . n A 1 50 VAL 50 48 48 VAL VAL A . n A 1 51 HIS 51 49 49 HIS HIS A . n A 1 52 ARG 52 50 50 ARG ARG A . n A 1 53 LEU 53 51 51 LEU LEU A . n A 1 54 GLU 54 52 52 GLU GLU A . n A 1 55 HIS 55 53 53 HIS HIS A . n A 1 56 GLY 56 54 54 GLY GLY A . n A 1 57 ASP 57 55 55 ASP ASP A . n A 1 58 GLY 58 56 56 GLY GLY A . n A 1 59 GLY 59 57 57 GLY GLY A . n A 1 60 ILE 60 58 58 ILE ILE A . n A 1 61 LEU 61 59 59 LEU LEU A . n A 1 62 ASP 62 60 60 ASP ASP A . n A 1 63 LEU 63 61 61 LEU LEU A . n A 1 64 ASP 64 62 62 ASP ASP A . n A 1 65 ASP 65 63 63 ASP ASP A . n A 1 66 ILE 66 64 64 ILE ILE A . n A 1 67 LEU 67 65 65 LEU LEU A . n A 1 68 CYS 68 66 66 CYS CYS A . n A 1 69 ASP 69 67 67 ASP ASP A . n A 1 70 VAL 70 68 68 VAL VAL A . n A 1 71 ALA 71 69 69 ALA ALA A . n A 1 72 ASP 72 70 70 ASP ASP A . n A 1 73 ASP 73 71 71 ASP ASP A . n A 1 74 LYS 74 72 72 LYS LYS A . n A 1 75 ASP 75 73 73 ASP ASP A . n A 1 76 ARG 76 74 74 ARG ARG A . n A 1 77 LEU 77 75 75 LEU LEU A . n A 1 78 VAL 78 76 76 VAL VAL A . n A 1 79 ALA 79 77 77 ALA ALA A . n A 1 80 VAL 80 78 78 VAL VAL A . n A 1 81 PHE 81 79 79 PHE PHE A . n A 1 82 ASP 82 80 80 ASP ASP A . n A 1 83 GLU 83 81 81 GLU GLU A . n A 1 84 GLN 84 82 82 GLN GLN A . n # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 'representative helical assembly' ? helical 49 2 'helical asymmetric unit' ? monomeric 1 3 'helical asymmetric unit, std helical frame' ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 '(1-49)' A 2 25 A 3 H A # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] H 'transform to helical frame' ? ? 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 0.00000 1 'helical symmetry operation' ? ? 0.88327513 0.46885503 0.00000000 0.00000 -0.46885503 0.88327513 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -84.76800 2 'helical symmetry operation' ? ? 0.31241782 0.94994479 0.00000000 0.00000 -0.94994479 0.31241782 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -81.23600 3 'helical symmetry operation' ? ? -0.43255789 0.90160616 0.00000000 0.00000 -0.90160616 -0.43255789 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -77.70400 4 'helical symmetry operation' ? ? -0.93645808 0.35077950 0.00000000 0.00000 -0.35077950 -0.93645808 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -74.17200 5 'helical symmetry operation' ? ? -0.91844638 -0.39554550 0.00000000 0.00000 0.39554550 -0.91844638 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -70.64000 6 'helical symmetry operation' ? ? -0.38856116 -0.92142294 0.00000000 0.00000 0.92142294 -0.38856116 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -67.10800 7 'helical symmetry operation' ? ? 0.35787908 -0.93376794 0.00000000 0.00000 0.93376794 0.35787908 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -63.57600 8 'helical symmetry operation' ? ? 0.90486421 -0.42570033 0.00000000 0.00000 0.42570033 0.90486421 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -60.04400 9 'helical symmetry operation' ? ? 0.94754550 0.31962090 0.00000000 0.00000 -0.31962090 0.94754550 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -56.51200 10 'helical symmetry operation' ? ? 0.46213560 0.88680927 0.00000000 0.00000 -0.88680927 0.46213560 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -52.98000 11 'helical symmetry operation' ? ? -0.28083422 0.95975629 0.00000000 0.00000 -0.95975629 -0.28083422 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -49.44800 12 'helical symmetry operation' ? ? -0.86728799 0.49780673 0.00000000 0.00000 -0.49780673 -0.86728799 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -45.91600 13 'helical symmetry operation' ? ? -0.97038011 -0.24158318 0.00000000 0.00000 0.24158318 -0.97038011 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -42.38400 14 'helical symmetry operation' ? ? -0.53265472 -0.84633264 0.00000000 0.00000 0.84633264 -0.53265472 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -38.85200 15 'helical symmetry operation' ? ? 0.20193269 -0.97939940 0.00000000 0.00000 0.97939940 0.20193269 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -35.32000 16 'helical symmetry operation' ? ? 0.82397788 -0.56662197 0.00000000 0.00000 0.56662197 0.82397788 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -31.78800 17 'helical symmetry operation' ? ? 0.98679925 0.16194829 0.00000000 0.00000 -0.16194829 0.98679925 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -28.25600 18 'helical symmetry operation' ? ? 0.59965231 0.80026065 0.00000000 0.00000 -0.80026065 0.59965231 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -24.72400 19 'helical symmetry operation' ? ? -0.12169611 0.99256741 0.00000000 0.00000 -0.99256741 -0.12169611 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -21.19200 20 'helical symmetry operation' ? ? -0.77522019 0.63169111 0.00000000 0.00000 -0.63169111 -0.77522019 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -17.66000 21 'helical symmetry operation' ? ? -0.99669435 -0.08124270 0.00000000 0.00000 0.08124270 -0.99669435 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -14.12800 22 'helical symmetry operation' ? ? -0.66268540 -0.74889789 0.00000000 0.00000 0.74889789 -0.66268540 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -10.59600 23 'helical symmetry operation' ? ? 0.04065496 -0.99917325 0.00000000 0.00000 0.99917325 0.04065496 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -7.06400 24 'helical symmetry operation' ? ? 0.72133729 -0.69258394 0.00000000 0.00000 0.69258394 0.72133729 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 -3.53200 25 'helical symmetry operation' ? ? 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 0.00000 26 'helical symmetry operation' ? ? 0.72133729 0.69258394 0.00000000 0.00000 -0.69258394 0.72133729 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 3.53200 27 'helical symmetry operation' ? ? 0.04065496 0.99917325 0.00000000 0.00000 -0.99917325 0.04065496 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 7.06400 28 'helical symmetry operation' ? ? -0.66268540 0.74889789 0.00000000 0.00000 -0.74889789 -0.66268540 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 10.59600 29 'helical symmetry operation' ? ? -0.99669435 0.08124270 0.00000000 0.00000 -0.08124270 -0.99669435 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 14.12800 30 'helical symmetry operation' ? ? -0.77522019 -0.63169111 0.00000000 0.00000 0.63169111 -0.77522019 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 17.66000 31 'helical symmetry operation' ? ? -0.12169611 -0.99256741 0.00000000 0.00000 0.99256741 -0.12169611 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 21.19200 32 'helical symmetry operation' ? ? 0.59965231 -0.80026065 0.00000000 0.00000 0.80026065 0.59965231 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 24.72400 33 'helical symmetry operation' ? ? 0.98679925 -0.16194829 0.00000000 0.00000 0.16194829 0.98679925 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 28.25600 34 'helical symmetry operation' ? ? 0.82397788 0.56662197 0.00000000 0.00000 -0.56662197 0.82397788 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 31.78800 35 'helical symmetry operation' ? ? 0.20193269 0.97939940 0.00000000 0.00000 -0.97939940 0.20193269 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 35.32000 36 'helical symmetry operation' ? ? -0.53265472 0.84633264 0.00000000 0.00000 -0.84633264 -0.53265472 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 38.85200 37 'helical symmetry operation' ? ? -0.97038011 0.24158318 0.00000000 0.00000 -0.24158318 -0.97038011 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 42.38400 38 'helical symmetry operation' ? ? -0.86728799 -0.49780673 0.00000000 0.00000 0.49780673 -0.86728799 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 45.91600 39 'helical symmetry operation' ? ? -0.28083422 -0.95975629 0.00000000 0.00000 0.95975629 -0.28083422 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 49.44800 40 'helical symmetry operation' ? ? 0.46213560 -0.88680927 0.00000000 0.00000 0.88680927 0.46213560 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 52.98000 41 'helical symmetry operation' ? ? 0.94754550 -0.31962090 0.00000000 0.00000 0.31962090 0.94754550 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 56.51200 42 'helical symmetry operation' ? ? 0.90486421 0.42570033 0.00000000 0.00000 -0.42570033 0.90486421 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 60.04400 43 'helical symmetry operation' ? ? 0.35787908 0.93376794 0.00000000 0.00000 -0.93376794 0.35787908 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 63.57600 44 'helical symmetry operation' ? ? -0.38856116 0.92142294 0.00000000 0.00000 -0.92142294 -0.38856116 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 67.10800 45 'helical symmetry operation' ? ? -0.91844638 0.39554550 0.00000000 0.00000 -0.39554550 -0.91844638 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 70.64000 46 'helical symmetry operation' ? ? -0.93645808 -0.35077950 0.00000000 0.00000 0.35077950 -0.93645808 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 74.17200 47 'helical symmetry operation' ? ? -0.43255789 -0.90160616 0.00000000 0.00000 0.90160616 -0.43255789 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 77.70400 48 'helical symmetry operation' ? ? 0.31241782 -0.94994479 0.00000000 0.00000 0.94994479 0.31241782 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 81.23600 49 'helical symmetry operation' ? ? 0.88327513 -0.46885503 0.00000000 0.00000 0.46885503 0.88327513 0.00000000 0.00000 0.00000000 0.00000000 1.00000000 84.76800 # _pdbx_helical_symmetry.entry_id 3ZEE _pdbx_helical_symmetry.number_of_operations 49 _pdbx_helical_symmetry.rotation_per_n_subunits -43.835000 _pdbx_helical_symmetry.rise_per_n_subunits 3.532000 _pdbx_helical_symmetry.n_subunits_divisor 1 _pdbx_helical_symmetry.dyad_axis no _pdbx_helical_symmetry.circular_symmetry 1 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-10-16 2 'Structure model' 2 0 2017-08-30 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Advisory 2 2 'Structure model' 'Atomic model' 3 2 'Structure model' 'Data collection' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' atom_site 2 2 'Structure model' em_software 3 2 'Structure model' pdbx_unobs_or_zero_occ_atoms # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_atom_site.auth_atom_id' 2 2 'Structure model' '_atom_site.label_atom_id' 3 2 'Structure model' '_em_software.fitting_id' 4 2 'Structure model' '_em_software.image_processing_id' # _em_3d_fitting.id 1 _em_3d_fitting.entry_id 3ZEE _em_3d_fitting.ref_protocol OTHER _em_3d_fitting.ref_space REAL _em_3d_fitting.overall_b_value ? _em_3d_fitting.target_criteria 'ENERGY FUNCTION IN NAMD2' _em_3d_fitting.details 'METHOD--CROSS CORRELATION REFINEMENT PROTOCOL--X-RAY' _em_3d_fitting.method ? # _em_3d_fitting_list.3d_fitting_id 1 _em_3d_fitting_list.id 1 _em_3d_fitting_list.pdb_entry_id 4I6P _em_3d_fitting_list.pdb_chain_id ? _em_3d_fitting_list.details ? # _em_3d_reconstruction.entry_id 3ZEE _em_3d_reconstruction.id 1 _em_3d_reconstruction.resolution_method 'FSC 0.5 CUT-OFF' _em_3d_reconstruction.refinement_type 'HALF-MAPS REFINED INDEPENDENTLY' _em_3d_reconstruction.symmetry_type HELICAL _em_3d_reconstruction.num_particles 84000 _em_3d_reconstruction.image_processing_id 1 _em_3d_reconstruction.method 'THE INITIAL MODEL WAS OBTAINED USING IHRSR. THEN THE FINAL RECONSTRUCTION WERE OBTAINED BY PROJECTION MATCHING IN EMAN.' _em_3d_reconstruction.nominal_pixel_size ? _em_3d_reconstruction.actual_pixel_size 0.933 _em_3d_reconstruction.resolution 6.1 _em_3d_reconstruction.magnification_calibration ? _em_3d_reconstruction.details ;THE INITIAL MODEL WAS OBTAINED USING IHRSR. THEN THE FINAL RECONSTRUCTION WERE OBTAINED BY PROJECTION MATCHING IN EMAN. THE RESOLUTION CRITERIA USED WAS GOLDEN CRITERIA FSC 0.5. SUBMISSION BASED ON EXPERIMENTAL DATA FROM EMDB EMD-2237. (DEPOSITION ID: 11249). ; _em_3d_reconstruction.num_class_averages ? _em_3d_reconstruction.algorithm ? # _em_buffer.id 1 _em_buffer.specimen_id 1 _em_buffer.name '50 MM TRIS, 100 MM NACL, 1 MM DTT AND 1 MM EDTA' _em_buffer.pH 8 _em_buffer.details '50 MM TRIS, 100 MM NACL, 1 MM DTT AND 1 MM EDTA' # _em_entity_assembly.id 1 _em_entity_assembly.name 'PAR-3 N-TERMINAL DUF3534 DOMAIN' _em_entity_assembly.type COMPLEX _em_entity_assembly.parent_id 0 _em_entity_assembly.synonym ? _em_entity_assembly.details 'SUPPORTING FILM IS GIG HOLELY GRID.' _em_entity_assembly.oligomeric_details ? # _em_image_scans.entry_id 3ZEE _em_image_scans.id 1 _em_image_scans.image_recording_id 1 _em_image_scans.number_digital_images 6460 _em_image_scans.citation_id ? _em_image_scans.od_range ? _em_image_scans.quant_bit_size ? _em_image_scans.sampling_size ? _em_image_scans.scanner_model ? _em_image_scans.details ? # _em_imaging.entry_id 3ZEE _em_imaging.id 1 _em_imaging.microscope_model 'FEI TITAN KRIOS' _em_imaging.illumination_mode 'FLOOD BEAM' _em_imaging.specimen_id 1 _em_imaging.date 2010-12-01 _em_imaging.temperature 95 _em_imaging.nominal_defocus_min 1800 _em_imaging.nominal_defocus_max 2500 _em_imaging.tilt_angle_min ? _em_imaging.tilt_angle_max ? _em_imaging.nominal_cs 2.7 _em_imaging.mode 'BRIGHT FIELD' _em_imaging.nominal_magnification 96000 _em_imaging.calibrated_magnification ? _em_imaging.electron_source 'FIELD EMISSION GUN' _em_imaging.accelerating_voltage 300 _em_imaging.details ;THE MICROSCOPE MODEL IS FEI TITAN KRIOS. 6460 RAW IMAGES WERE COLLECTED AUTOMATICALLY USING THE PACKAGE LEGINON. GOOD MICROGRAPHS WERE SELECTED ONE BY ONE ; _em_imaging.specimen_holder_type . _em_imaging.specimen_holder_model . _em_imaging.citation_id ? _em_imaging.astigmatism ? _em_imaging.detector_distance ? _em_imaging.electron_beam_tilt_params ? _em_imaging.recording_temperature_maximum ? _em_imaging.recording_temperature_minimum ? # _em_sample_support.id 1 _em_sample_support.specimen_id 1 _em_sample_support.details CARBON _em_sample_support.method ? _em_sample_support.film_material ? _em_sample_support.grid_material ? _em_sample_support.grid_mesh_size ? _em_sample_support.grid_type ? # _em_vitrification.entry_id 3ZEE _em_vitrification.id 1 _em_vitrification.instrument 'FEI VITROBOT MARK IV' _em_vitrification.cryogen_name ETHANE _em_vitrification.specimen_id 1 _em_vitrification.details 'LIQUID ETHANE' _em_vitrification.citation_id ? _em_vitrification.humidity ? _em_vitrification.method ? _em_vitrification.temp ? _em_vitrification.time_resolved_state ? # _em_experiment.entry_id 3ZEE _em_experiment.id 1 _em_experiment.aggregation_state FILAMENT _em_experiment.entity_assembly_id 1 _em_experiment.reconstruction_method HELICAL # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CA A LEU 59 ? ? C A LEU 59 ? ? 1.365 1.525 -0.160 0.026 N 2 1 CD A ARG 74 ? ? NE A ARG 74 ? ? 1.565 1.460 0.105 0.017 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A VAL 5 ? ? CB A VAL 5 ? ? CG2 A VAL 5 ? ? 98.45 110.90 -12.45 1.50 N 2 1 NE A ARG 11 ? ? CZ A ARG 11 ? ? NH1 A ARG 11 ? ? 116.84 120.30 -3.46 0.50 N 3 1 CA A VAL 13 ? ? CB A VAL 13 ? ? CG1 A VAL 13 ? ? 120.57 110.90 9.67 1.50 N 4 1 CB A PHE 24 ? ? CG A PHE 24 ? ? CD1 A PHE 24 ? ? 115.09 120.80 -5.71 0.70 N 5 1 NE A ARG 33 ? ? CZ A ARG 33 ? ? NH1 A ARG 33 ? ? 123.47 120.30 3.17 0.50 N 6 1 CB A TYR 34 ? ? CG A TYR 34 ? ? CD2 A TYR 34 ? ? 112.64 121.00 -8.36 0.60 N 7 1 CB A TYR 34 ? ? CG A TYR 34 ? ? CD1 A TYR 34 ? ? 126.10 121.00 5.10 0.60 N 8 1 NE A ARG 35 ? ? CZ A ARG 35 ? ? NH2 A ARG 35 ? ? 116.80 120.30 -3.50 0.50 N 9 1 CG A TYR 44 ? ? CD2 A TYR 44 ? ? CE2 A TYR 44 ? ? 115.94 121.30 -5.36 0.80 N 10 1 NE A ARG 50 ? ? CZ A ARG 50 ? ? NH2 A ARG 50 ? ? 123.50 120.30 3.20 0.50 N 11 1 CB A ASP 55 ? ? CG A ASP 55 ? ? OD1 A ASP 55 ? ? 124.76 118.30 6.46 0.90 N 12 1 C A ALA 77 ? ? N A VAL 78 ? ? CA A VAL 78 ? ? 138.48 121.70 16.78 2.50 Y 13 1 CB A ASP 80 ? ? CA A ASP 80 ? ? C A ASP 80 ? ? 122.54 110.40 12.14 2.00 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 MET A 21 ? ? 176.89 156.27 2 1 VAL A 38 ? ? -148.23 -3.24 3 1 LYS A 40 ? ? -89.41 -112.69 4 1 ASN A 43 ? ? 179.22 116.90 5 1 TYR A 44 ? ? 175.14 -164.72 6 1 ILE A 46 ? ? -145.30 49.43 7 1 ASP A 62 ? ? -146.38 -37.49 8 1 VAL A 68 ? ? -100.87 -76.01 9 1 ASP A 70 ? ? -94.38 -157.07 10 1 GLU A 81 ? ? -161.67 7.25 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 PHE _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 79 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ASP _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 80 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 149.42 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 PHE A 1 ? ? -10.75 2 1 PHE A 79 ? ? -10.34 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 1 ARG A 20 ? ? 0.133 'SIDE CHAIN' 2 1 PHE A 24 ? ? 0.090 'SIDE CHAIN' 3 1 TYR A 34 ? ? 0.104 'SIDE CHAIN' 4 1 TYR A 44 ? ? 0.160 'SIDE CHAIN' 5 1 ARG A 50 ? ? 0.080 'SIDE CHAIN' 6 1 ARG A 74 ? ? 0.082 'SIDE CHAIN' # _em_ctf_correction.id 1 _em_ctf_correction.details 'INDIVIDUAL MICROGRAPHS' _em_ctf_correction.type ? # _em_image_processing.id 1 _em_image_processing.image_recording_id 1 _em_image_processing.details ? # _em_image_recording.details ? _em_image_recording.id 1 _em_image_recording.avg_electron_dose_per_image 20 _em_image_recording.film_or_detector_model 'GATAN ULTRASCAN 4000 (4k x 4k)' _em_image_recording.imaging_id 1 _em_image_recording.detector_mode ? _em_image_recording.average_exposure_time ? _em_image_recording.num_diffraction_images ? _em_image_recording.num_grids_imaged ? _em_image_recording.num_real_images ? # loop_ _em_software.id _em_software.name _em_software.version _em_software.category _em_software.details _em_software.image_processing_id _em_software.imaging_id _em_software.fitting_id 1 NAMD 2 'MODEL FITTING' ? ? ? 1 2 VMD ? 'MODEL FITTING' ? ? ? 1 3 IMAGIC ? RECONSTRUCTION ? 1 ? ? # _em_specimen.experiment_id 1 _em_specimen.id 1 _em_specimen.concentration 2 _em_specimen.vitrification_applied YES _em_specimen.staining_applied NO _em_specimen.embedding_applied NO _em_specimen.shadowing_applied NO _em_specimen.details ? # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/4i6p.cif ================================================ data_4I6P # _entry.id 4I6P # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4I6P RCSB RCSB076372 WWPDB D_1000076372 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3ZEE _pdbx_database_related.details 'Structure of helical assembly' _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4I6P _pdbx_database_status.recvd_initial_deposition_date 2012-11-29 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wang, W.' 1 'Gao, F.' 2 'Gong, W.' 3 'Sun, F.' 4 'Feng, W.' 5 # _citation.id primary _citation.title 'Structural insights into the intrinsic self-assembly of par-3 N-terminal domain.' _citation.journal_abbrev Structure _citation.journal_volume 21 _citation.page_first 997 _citation.page_last 1006 _citation.year 2013 _citation.journal_id_ASTM STRUE6 _citation.country UK _citation.journal_id_ISSN 0969-2126 _citation.journal_id_CSD 2005 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23643951 _citation.pdbx_database_id_DOI 10.1016/j.str.2013.04.004 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, Y.' 1 primary 'Wang, W.' 2 primary 'Chen, J.' 3 primary 'Zhang, K.' 4 primary 'Gao, F.' 5 primary 'Gao, B.' 6 primary 'Zhang, S.' 7 primary 'Dong, M.' 8 primary 'Besenbacher, F.' 9 primary 'Gong, W.' 10 primary 'Zhang, M.' 11 primary 'Sun, F.' 12 primary 'Feng, W.' 13 # _cell.entry_id 4I6P _cell.length_a 108.780 _cell.length_b 108.780 _cell.length_c 46.730 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4I6P _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 96 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Partitioning defective 3 homolog' 9879.212 2 ? ? 'N-terminal domain of Par3' ? 2 water nat water 18.015 34 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'PAR-3, PARD-3, Atypical PKC isotype-specific-interacting protein, ASIP, Atypical PKC-specific-binding protein, ASBP' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;GPGSEFKVTVCFGRTRVVVPCGDGRMKVFSLIQQAVTRYRKAVAKDPNYWIQVHRLEHGDGGILDLDDILCDVADDKDRL VAVFDEQD ; _entity_poly.pdbx_seq_one_letter_code_can ;GPGSEFKVTVCFGRTRVVVPCGDGRMKVFSLIQQAVTRYRKAVAKDPNYWIQVHRLEHGDGGILDLDDILCDVADDKDRL VAVFDEQD ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 PRO n 1 3 GLY n 1 4 SER n 1 5 GLU n 1 6 PHE n 1 7 LYS n 1 8 VAL n 1 9 THR n 1 10 VAL n 1 11 CYS n 1 12 PHE n 1 13 GLY n 1 14 ARG n 1 15 THR n 1 16 ARG n 1 17 VAL n 1 18 VAL n 1 19 VAL n 1 20 PRO n 1 21 CYS n 1 22 GLY n 1 23 ASP n 1 24 GLY n 1 25 ARG n 1 26 MET n 1 27 LYS n 1 28 VAL n 1 29 PHE n 1 30 SER n 1 31 LEU n 1 32 ILE n 1 33 GLN n 1 34 GLN n 1 35 ALA n 1 36 VAL n 1 37 THR n 1 38 ARG n 1 39 TYR n 1 40 ARG n 1 41 LYS n 1 42 ALA n 1 43 VAL n 1 44 ALA n 1 45 LYS n 1 46 ASP n 1 47 PRO n 1 48 ASN n 1 49 TYR n 1 50 TRP n 1 51 ILE n 1 52 GLN n 1 53 VAL n 1 54 HIS n 1 55 ARG n 1 56 LEU n 1 57 GLU n 1 58 HIS n 1 59 GLY n 1 60 ASP n 1 61 GLY n 1 62 GLY n 1 63 ILE n 1 64 LEU n 1 65 ASP n 1 66 LEU n 1 67 ASP n 1 68 ASP n 1 69 ILE n 1 70 LEU n 1 71 CYS n 1 72 ASP n 1 73 VAL n 1 74 ALA n 1 75 ASP n 1 76 ASP n 1 77 LYS n 1 78 ASP n 1 79 ARG n 1 80 LEU n 1 81 VAL n 1 82 ALA n 1 83 VAL n 1 84 PHE n 1 85 ASP n 1 86 GLU n 1 87 GLN n 1 88 ASP n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'brown rat,rat,rats' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'Pard3, Par3' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Rattus norvegicus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10116 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 511693 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21-Codon Plus' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pET32a _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PARD3_RAT _struct_ref.pdbx_db_accession Q9Z340 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;KVTVCFGRTRVVVPCGDGRMKVFSLIQQAVTRYRKAVAKDPNYWIQVHRLEHGDGGILDLDDILCDVADDKDRLVAVFDE QD ; _struct_ref.pdbx_align_begin 2 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4I6P A 7 ? 88 ? Q9Z340 2 ? 83 ? 2 83 2 1 4I6P B 7 ? 88 ? Q9Z340 2 ? 83 ? 2 83 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4I6P GLY A 1 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -4 1 1 4I6P PRO A 2 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -3 2 1 4I6P GLY A 3 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -2 3 1 4I6P SER A 4 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -1 4 1 4I6P GLU A 5 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' 0 5 1 4I6P PHE A 6 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' 1 6 2 4I6P GLY B 1 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -4 7 2 4I6P PRO B 2 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -3 8 2 4I6P GLY B 3 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -2 9 2 4I6P SER B 4 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' -1 10 2 4I6P GLU B 5 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' 0 11 2 4I6P PHE B 6 ? UNP Q9Z340 ? ? 'EXPRESSION TAG' 1 12 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4I6P _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.50 _exptl_crystal.density_percent_sol 64.84 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 289.15 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '1.6 M ammonium sulfate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289.15K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RAYONIX MX-225' _diffrn_detector.pdbx_collection_date 2010-12-01 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Double crystal Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.979 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.pdbx_synchrotron_site SSRF _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.979 # _reflns.entry_id 4I6P _reflns.observed_criterion_sigma_I -2 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.9 _reflns.number_obs 6406 _reflns.number_all 6597 _reflns.percent_possible_obs 97.1 _reflns.pdbx_Rmerge_I_obs 0.148 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 17.0 _reflns.B_iso_Wilson_estimate 48 _reflns.pdbx_redundancy 7.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.9 _reflns_shell.d_res_low 3.0 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs 0.477 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 5.3 _reflns_shell.pdbx_redundancy 7.9 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 617 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4I6P _refine.ls_number_reflns_obs 6058 _refine.ls_number_reflns_all 6289 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 39.94 _refine.ls_d_res_high 2.90 _refine.ls_percent_reflns_obs 96.33 _refine.ls_R_factor_obs 0.23296 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.23005 _refine.ls_R_factor_R_free 0.29361 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.7 _refine.ls_number_reflns_R_free 301 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.918 _refine.correlation_coeff_Fo_to_Fc_free 0.860 _refine.B_iso_mean 55.809 _refine.aniso_B[1][1] -0.43 _refine.aniso_B[2][2] -0.43 _refine.aniso_B[3][3] 0.85 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT' _refine.pdbx_starting_model 2NS5 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 1.008 _refine.pdbx_overall_ESU_R_Free 0.415 _refine.overall_SU_ML 0.350 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 19.255 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1323 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 34 _refine_hist.number_atoms_total 1357 _refine_hist.d_res_high 2.90 _refine_hist.d_res_low 39.94 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.012 0.019 ? 1345 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.791 1.948 ? 1816 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 7.769 5.000 ? 164 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 34.930 23.333 ? 69 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 19.812 15.000 ? 235 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 17.571 15.000 ? 14 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.120 0.200 ? 204 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.006 0.020 ? 1022 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.900 _refine_ls_shell.d_res_low 2.975 _refine_ls_shell.number_reflns_R_work 343 _refine_ls_shell.R_factor_R_work 0.307 _refine_ls_shell.percent_reflns_obs 89.88 _refine_ls_shell.R_factor_R_free 0.325 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 21 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 343 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4I6P _struct.title 'Crystal structure of Par3-NTD domain' _struct.pdbx_descriptor 'Partitioning defective 3 homolog' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4I6P _struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' _struct_keywords.text 'PB1 like motif, DUF3534, Cell polarity protein, SIGNALING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? # _struct_biol.id 1 _struct_biol.details ;This protein forms helical filament in solution. Cryo-electron microscopic reconstruction revealed that the dimer in the crystallographic asymmetric unit is the same as the building block of the helical filament. ; # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LYS A 27 ? ALA A 44 ? LYS A 22 ALA A 39 1 ? 18 HELX_P HELX_P2 2 ILE A 69 ? ALA A 74 ? ILE A 64 ALA A 69 1 ? 6 HELX_P HELX_P3 3 LYS B 27 ? ALA B 44 ? LYS B 22 ALA B 39 1 ? 18 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ALA _struct_mon_prot_cis.label_seq_id 44 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ALA _struct_mon_prot_cis.auth_seq_id 39 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 LYS _struct_mon_prot_cis.pdbx_label_seq_id_2 45 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 LYS _struct_mon_prot_cis.pdbx_auth_seq_id_2 40 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -1.50 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? parallel A 3 4 ? anti-parallel A 4 5 ? parallel B 1 2 ? anti-parallel B 2 3 ? parallel B 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ILE A 51 ? GLU A 57 ? ILE A 46 GLU A 52 A 2 ARG A 79 ? GLU A 86 ? ARG A 74 GLU A 81 A 3 PHE A 6 ? PHE A 12 ? PHE A 1 PHE A 7 A 4 THR A 15 ? GLY A 22 ? THR A 10 GLY A 17 A 5 GLY B 62 ? LEU B 64 ? GLY B 57 LEU B 59 B 1 THR B 15 ? GLY B 22 ? THR B 10 GLY B 17 B 2 PHE B 6 ? PHE B 12 ? PHE B 1 PHE B 7 B 3 ARG B 79 ? ASP B 85 ? ARG B 74 ASP B 80 B 4 GLN B 52 ? GLU B 57 ? GLN B 47 GLU B 52 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLN A 52 ? N GLN A 47 O ASP A 85 ? O ASP A 80 A 2 3 O LEU A 80 ? O LEU A 75 N CYS A 11 ? N CYS A 6 A 3 4 N PHE A 6 ? N PHE A 1 O CYS A 21 ? O CYS A 16 A 4 5 N VAL A 18 ? N VAL A 13 O ILE B 63 ? O ILE B 58 B 1 2 O CYS B 21 ? O CYS B 16 N PHE B 6 ? N PHE B 1 B 2 3 N THR B 9 ? N THR B 4 O LEU B 80 ? O LEU B 75 B 3 4 O ASP B 85 ? O ASP B 80 N GLN B 52 ? N GLN B 47 # _database_PDB_matrix.entry_id 4I6P _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4I6P _atom_sites.fract_transf_matrix[1][1] 0.009193 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009193 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.021400 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 4 ? 7.327 32.198 13.137 1.00 67.08 ? -1 SER A N 1 ATOM 2 C CA . SER A 1 4 ? 7.212 33.699 13.019 1.00 75.39 ? -1 SER A CA 1 ATOM 3 C C . SER A 1 4 ? 6.310 34.194 11.863 1.00 78.94 ? -1 SER A C 1 ATOM 4 O O . SER A 1 4 ? 5.127 33.814 11.713 1.00 74.56 ? -1 SER A O 1 ATOM 5 C CB . SER A 1 4 ? 8.602 34.343 12.844 1.00 73.77 ? -1 SER A CB 1 ATOM 6 O OG . SER A 1 4 ? 9.149 34.885 14.031 1.00 71.80 ? -1 SER A OG 1 ATOM 7 N N . GLU A 1 5 ? 6.890 35.072 11.055 1.00 77.04 ? 0 GLU A N 1 ATOM 8 C CA . GLU A 1 5 ? 6.181 35.621 9.931 1.00 77.58 ? 0 GLU A CA 1 ATOM 9 C C . GLU A 1 5 ? 6.902 35.310 8.624 1.00 70.23 ? 0 GLU A C 1 ATOM 10 O O . GLU A 1 5 ? 6.235 34.988 7.632 1.00 69.54 ? 0 GLU A O 1 ATOM 11 C CB . GLU A 1 5 ? 5.828 37.127 10.112 1.00 82.88 ? 0 GLU A CB 1 ATOM 12 C CG . GLU A 1 5 ? 6.901 38.029 10.718 1.00 85.25 ? 0 GLU A CG 1 ATOM 13 C CD . GLU A 1 5 ? 6.958 37.981 12.249 1.00 99.39 ? 0 GLU A CD 1 ATOM 14 O OE1 . GLU A 1 5 ? 5.892 38.018 12.922 1.00 93.83 ? 0 GLU A OE1 1 ATOM 15 O OE2 . GLU A 1 5 ? 8.090 37.917 12.789 1.00 104.08 ? 0 GLU A OE2 1 ATOM 16 N N . PHE A 1 6 ? 8.239 35.368 8.622 1.00 57.26 ? 1 PHE A N 1 ATOM 17 C CA . PHE A 1 6 ? 8.962 35.378 7.332 1.00 53.48 ? 1 PHE A CA 1 ATOM 18 C C . PHE A 1 6 ? 8.653 34.129 6.469 1.00 50.84 ? 1 PHE A C 1 ATOM 19 O O . PHE A 1 6 ? 8.698 33.002 6.974 1.00 48.75 ? 1 PHE A O 1 ATOM 20 C CB . PHE A 1 6 ? 10.472 35.602 7.511 1.00 47.81 ? 1 PHE A CB 1 ATOM 21 C CG . PHE A 1 6 ? 11.147 36.198 6.301 1.00 45.73 ? 1 PHE A CG 1 ATOM 22 C CD1 . PHE A 1 6 ? 11.221 35.495 5.090 1.00 46.09 ? 1 PHE A CD1 1 ATOM 23 C CD2 . PHE A 1 6 ? 11.719 37.464 6.361 1.00 45.04 ? 1 PHE A CD2 1 ATOM 24 C CE1 . PHE A 1 6 ? 11.838 36.050 3.973 1.00 42.27 ? 1 PHE A CE1 1 ATOM 25 C CE2 . PHE A 1 6 ? 12.332 38.029 5.241 1.00 42.09 ? 1 PHE A CE2 1 ATOM 26 C CZ . PHE A 1 6 ? 12.388 37.322 4.046 1.00 41.75 ? 1 PHE A CZ 1 ATOM 27 N N . LYS A 1 7 ? 8.293 34.341 5.194 1.00 44.92 ? 2 LYS A N 1 ATOM 28 C CA . LYS A 1 7 ? 7.989 33.228 4.265 1.00 45.28 ? 2 LYS A CA 1 ATOM 29 C C . LYS A 1 7 ? 8.335 33.579 2.829 1.00 45.65 ? 2 LYS A C 1 ATOM 30 O O . LYS A 1 7 ? 8.355 34.758 2.468 1.00 47.71 ? 2 LYS A O 1 ATOM 31 C CB . LYS A 1 7 ? 6.521 32.780 4.349 1.00 41.94 ? 2 LYS A CB 1 ATOM 32 C CG . LYS A 1 7 ? 5.540 33.853 3.925 1.00 48.25 ? 2 LYS A CG 1 ATOM 33 C CD . LYS A 1 7 ? 4.095 33.647 4.372 1.00 48.06 ? 2 LYS A CD 1 ATOM 34 C CE . LYS A 1 7 ? 3.433 35.010 4.667 1.00 48.95 ? 2 LYS A CE 1 ATOM 35 N NZ . LYS A 1 7 ? 1.942 34.957 4.586 1.00 45.58 ? 2 LYS A NZ 1 ATOM 36 N N . VAL A 1 8 ? 8.605 32.553 2.021 1.00 43.86 ? 3 VAL A N 1 ATOM 37 C CA . VAL A 1 8 ? 8.852 32.720 0.572 1.00 41.44 ? 3 VAL A CA 1 ATOM 38 C C . VAL A 1 8 ? 8.172 31.648 -0.290 1.00 41.47 ? 3 VAL A C 1 ATOM 39 O O . VAL A 1 8 ? 7.883 30.525 0.142 1.00 39.90 ? 3 VAL A O 1 ATOM 40 C CB . VAL A 1 8 ? 10.368 32.686 0.206 1.00 40.74 ? 3 VAL A CB 1 ATOM 41 C CG1 . VAL A 1 8 ? 11.072 34.001 0.529 1.00 38.90 ? 3 VAL A CG1 1 ATOM 42 C CG2 . VAL A 1 8 ? 11.083 31.486 0.829 1.00 36.28 ? 3 VAL A CG2 1 ATOM 43 N N . THR A 1 9 ? 7.946 31.969 -1.542 1.00 42.62 ? 4 THR A N 1 ATOM 44 C CA . THR A 1 9 ? 7.536 30.912 -2.429 1.00 48.06 ? 4 THR A CA 1 ATOM 45 C C . THR A 1 9 ? 8.706 30.567 -3.347 1.00 49.03 ? 4 THR A C 1 ATOM 46 O O . THR A 1 9 ? 9.477 31.462 -3.739 1.00 48.34 ? 4 THR A O 1 ATOM 47 C CB . THR A 1 9 ? 6.259 31.276 -3.211 1.00 52.74 ? 4 THR A CB 1 ATOM 48 O OG1 . THR A 1 9 ? 5.333 31.904 -2.311 1.00 56.70 ? 4 THR A OG1 1 ATOM 49 C CG2 . THR A 1 9 ? 5.611 30.013 -3.819 1.00 50.71 ? 4 THR A CG2 1 ATOM 50 N N . VAL A 1 10 ? 8.841 29.269 -3.640 1.00 44.23 ? 5 VAL A N 1 ATOM 51 C CA . VAL A 1 10 ? 9.875 28.758 -4.514 1.00 43.20 ? 5 VAL A CA 1 ATOM 52 C C . VAL A 1 10 ? 9.268 27.960 -5.661 1.00 42.27 ? 5 VAL A C 1 ATOM 53 O O . VAL A 1 10 ? 8.641 26.935 -5.451 1.00 41.74 ? 5 VAL A O 1 ATOM 54 C CB . VAL A 1 10 ? 10.866 27.822 -3.772 1.00 42.70 ? 5 VAL A CB 1 ATOM 55 C CG1 . VAL A 1 10 ? 11.879 27.270 -4.767 1.00 42.59 ? 5 VAL A CG1 1 ATOM 56 C CG2 . VAL A 1 10 ? 11.583 28.519 -2.614 1.00 39.13 ? 5 VAL A CG2 1 ATOM 57 N N . CYS A 1 11 ? 9.500 28.428 -6.880 1.00 46.80 ? 6 CYS A N 1 ATOM 58 C CA . CYS A 1 11 ? 9.137 27.720 -8.126 1.00 42.31 ? 6 CYS A CA 1 ATOM 59 C C . CYS A 1 11 ? 10.087 26.599 -8.523 1.00 39.58 ? 6 CYS A C 1 ATOM 60 O O . CYS A 1 11 ? 11.220 26.867 -8.904 1.00 39.07 ? 6 CYS A O 1 ATOM 61 C CB . CYS A 1 11 ? 9.119 28.726 -9.258 1.00 40.58 ? 6 CYS A CB 1 ATOM 62 S SG . CYS A 1 11 ? 8.040 30.121 -8.890 1.00 57.09 ? 6 CYS A SG 1 ATOM 63 N N . PHE A 1 12 ? 9.647 25.351 -8.417 1.00 39.06 ? 7 PHE A N 1 ATOM 64 C CA . PHE A 1 12 ? 10.297 24.274 -9.159 1.00 42.82 ? 7 PHE A CA 1 ATOM 65 C C . PHE A 1 12 ? 9.498 24.069 -10.456 1.00 45.64 ? 7 PHE A C 1 ATOM 66 O O . PHE A 1 12 ? 8.366 23.548 -10.465 1.00 44.39 ? 7 PHE A O 1 ATOM 67 C CB . PHE A 1 12 ? 10.366 22.959 -8.374 1.00 43.61 ? 7 PHE A CB 1 ATOM 68 C CG . PHE A 1 12 ? 10.986 23.074 -7.017 1.00 44.83 ? 7 PHE A CG 1 ATOM 69 C CD1 . PHE A 1 12 ? 10.252 23.572 -5.925 1.00 45.58 ? 7 PHE A CD1 1 ATOM 70 C CD2 . PHE A 1 12 ? 12.288 22.629 -6.798 1.00 45.83 ? 7 PHE A CD2 1 ATOM 71 C CE1 . PHE A 1 12 ? 10.831 23.650 -4.651 1.00 45.08 ? 7 PHE A CE1 1 ATOM 72 C CE2 . PHE A 1 12 ? 12.869 22.713 -5.518 1.00 47.39 ? 7 PHE A CE2 1 ATOM 73 C CZ . PHE A 1 12 ? 12.144 23.224 -4.447 1.00 42.90 ? 7 PHE A CZ 1 ATOM 74 N N . GLY A 1 13 ? 10.075 24.495 -11.565 1.00 48.93 ? 8 GLY A N 1 ATOM 75 C CA . GLY A 1 13 ? 9.310 24.521 -12.795 1.00 51.52 ? 8 GLY A CA 1 ATOM 76 C C . GLY A 1 13 ? 8.080 25.358 -12.515 1.00 52.94 ? 8 GLY A C 1 ATOM 77 O O . GLY A 1 13 ? 8.174 26.498 -12.009 1.00 48.71 ? 8 GLY A O 1 ATOM 78 N N . ARG A 1 14 ? 6.926 24.780 -12.827 1.00 54.31 ? 9 ARG A N 1 ATOM 79 C CA . ARG A 1 14 ? 5.634 25.493 -12.776 1.00 59.28 ? 9 ARG A CA 1 ATOM 80 C C . ARG A 1 14 ? 4.954 25.291 -11.422 1.00 60.07 ? 9 ARG A C 1 ATOM 81 O O . ARG A 1 14 ? 4.032 26.035 -11.055 1.00 62.29 ? 9 ARG A O 1 ATOM 82 C CB . ARG A 1 14 ? 4.726 25.021 -13.916 1.00 55.48 ? 9 ARG A CB 1 ATOM 83 C CG . ARG A 1 14 ? 4.845 23.526 -14.161 1.00 59.46 ? 9 ARG A CG 1 ATOM 84 C CD . ARG A 1 14 ? 6.316 23.141 -14.342 1.00 62.41 ? 9 ARG A CD 1 ATOM 85 N NE . ARG A 1 14 ? 6.517 21.701 -14.410 1.00 62.49 ? 9 ARG A NE 1 ATOM 86 C CZ . ARG A 1 14 ? 6.409 21.007 -15.533 1.00 63.14 ? 9 ARG A CZ 1 ATOM 87 N NH1 . ARG A 1 14 ? 6.109 21.626 -16.666 1.00 64.32 ? 9 ARG A NH1 1 ATOM 88 N NH2 . ARG A 1 14 ? 6.602 19.702 -15.526 1.00 66.92 ? 9 ARG A NH2 1 ATOM 89 N N . THR A 1 15 ? 5.427 24.284 -10.692 1.00 55.81 ? 10 THR A N 1 ATOM 90 C CA . THR A 1 15 ? 4.940 23.972 -9.354 1.00 56.21 ? 10 THR A CA 1 ATOM 91 C C . THR A 1 15 ? 5.623 24.895 -8.343 1.00 52.81 ? 10 THR A C 1 ATOM 92 O O . THR A 1 15 ? 6.824 25.113 -8.400 1.00 53.29 ? 10 THR A O 1 ATOM 93 C CB . THR A 1 15 ? 5.173 22.486 -9.024 1.00 58.93 ? 10 THR A CB 1 ATOM 94 O OG1 . THR A 1 15 ? 6.530 22.146 -9.320 1.00 68.19 ? 10 THR A OG1 1 ATOM 95 C CG2 . THR A 1 15 ? 4.291 21.605 -9.925 1.00 63.00 ? 10 THR A CG2 1 ATOM 96 N N . ARG A 1 16 ? 4.840 25.470 -7.444 1.00 50.41 ? 11 ARG A N 1 ATOM 97 C CA . ARG A 1 16 ? 5.324 26.545 -6.593 1.00 49.46 ? 11 ARG A CA 1 ATOM 98 C C . ARG A 1 16 ? 5.091 26.211 -5.132 1.00 46.70 ? 11 ARG A C 1 ATOM 99 O O . ARG A 1 16 ? 4.032 25.719 -4.746 1.00 45.46 ? 11 ARG A O 1 ATOM 100 C CB . ARG A 1 16 ? 4.605 27.854 -6.933 1.00 56.73 ? 11 ARG A CB 1 ATOM 101 C CG . ARG A 1 16 ? 4.653 28.299 -8.396 1.00 59.62 ? 11 ARG A CG 1 ATOM 102 C CD . ARG A 1 16 ? 4.608 29.818 -8.486 1.00 61.87 ? 11 ARG A CD 1 ATOM 103 N NE . ARG A 1 16 ? 3.522 30.297 -9.334 1.00 71.50 ? 11 ARG A NE 1 ATOM 104 C CZ . ARG A 1 16 ? 3.663 30.973 -10.476 1.00 72.04 ? 11 ARG A CZ 1 ATOM 105 N NH1 . ARG A 1 16 ? 4.868 31.268 -10.954 1.00 65.59 ? 11 ARG A NH1 1 ATOM 106 N NH2 . ARG A 1 16 ? 2.574 31.362 -11.139 1.00 74.21 ? 11 ARG A NH2 1 ATOM 107 N N . VAL A 1 17 ? 6.062 26.501 -4.291 1.00 46.60 ? 12 VAL A N 1 ATOM 108 C CA . VAL A 1 17 ? 5.977 25.964 -2.944 1.00 47.94 ? 12 VAL A CA 1 ATOM 109 C C . VAL A 1 17 ? 6.266 26.978 -1.839 1.00 45.72 ? 12 VAL A C 1 ATOM 110 O O . VAL A 1 17 ? 7.301 27.642 -1.845 1.00 48.41 ? 12 VAL A O 1 ATOM 111 C CB . VAL A 1 17 ? 6.841 24.694 -2.836 1.00 47.32 ? 12 VAL A CB 1 ATOM 112 C CG1 . VAL A 1 17 ? 8.116 24.969 -2.067 1.00 43.35 ? 12 VAL A CG1 1 ATOM 113 C CG2 . VAL A 1 17 ? 6.041 23.567 -2.215 1.00 51.04 ? 12 VAL A CG2 1 ATOM 114 N N . VAL A 1 18 ? 5.317 27.115 -0.917 1.00 44.94 ? 13 VAL A N 1 ATOM 115 C CA . VAL A 1 18 ? 5.445 28.070 0.182 1.00 45.07 ? 13 VAL A CA 1 ATOM 116 C C . VAL A 1 18 ? 6.226 27.455 1.312 1.00 43.06 ? 13 VAL A C 1 ATOM 117 O O . VAL A 1 18 ? 5.852 26.387 1.835 1.00 44.73 ? 13 VAL A O 1 ATOM 118 C CB . VAL A 1 18 ? 4.091 28.529 0.734 1.00 46.13 ? 13 VAL A CB 1 ATOM 119 C CG1 . VAL A 1 18 ? 4.288 29.530 1.867 1.00 41.36 ? 13 VAL A CG1 1 ATOM 120 C CG2 . VAL A 1 18 ? 3.254 29.133 -0.388 1.00 48.72 ? 13 VAL A CG2 1 ATOM 121 N N . VAL A 1 19 ? 7.307 28.152 1.662 1.00 39.32 ? 14 VAL A N 1 ATOM 122 C CA . VAL A 1 19 ? 8.213 27.765 2.721 1.00 36.56 ? 14 VAL A CA 1 ATOM 123 C C . VAL A 1 19 ? 8.218 28.841 3.763 1.00 35.41 ? 14 VAL A C 1 ATOM 124 O O . VAL A 1 19 ? 8.503 30.015 3.453 1.00 30.51 ? 14 VAL A O 1 ATOM 125 C CB . VAL A 1 19 ? 9.690 27.692 2.282 1.00 38.62 ? 14 VAL A CB 1 ATOM 126 C CG1 . VAL A 1 19 ? 10.484 26.895 3.320 1.00 35.14 ? 14 VAL A CG1 1 ATOM 127 C CG2 . VAL A 1 19 ? 9.862 27.199 0.830 1.00 33.87 ? 14 VAL A CG2 1 ATOM 128 N N . PRO A 1 20 ? 7.947 28.433 5.017 1.00 39.27 ? 15 PRO A N 1 ATOM 129 C CA . PRO A 1 20 ? 8.050 29.260 6.232 1.00 38.49 ? 15 PRO A CA 1 ATOM 130 C C . PRO A 1 20 ? 9.513 29.400 6.624 1.00 39.05 ? 15 PRO A C 1 ATOM 131 O O . PRO A 1 20 ? 10.236 28.395 6.636 1.00 38.36 ? 15 PRO A O 1 ATOM 132 C CB . PRO A 1 20 ? 7.319 28.416 7.263 1.00 39.78 ? 15 PRO A CB 1 ATOM 133 C CG . PRO A 1 20 ? 7.631 27.004 6.830 1.00 40.09 ? 15 PRO A CG 1 ATOM 134 C CD . PRO A 1 20 ? 7.611 27.027 5.335 1.00 38.49 ? 15 PRO A CD 1 ATOM 135 N N . CYS A 1 21 ? 9.962 30.617 6.920 1.00 40.40 ? 16 CYS A N 1 ATOM 136 C CA . CYS A 1 21 ? 11.382 30.829 7.250 1.00 45.18 ? 16 CYS A CA 1 ATOM 137 C C . CYS A 1 21 ? 11.593 31.393 8.651 1.00 45.47 ? 16 CYS A C 1 ATOM 138 O O . CYS A 1 21 ? 12.687 31.884 8.974 1.00 40.62 ? 16 CYS A O 1 ATOM 139 C CB . CYS A 1 21 ? 12.022 31.737 6.205 1.00 47.10 ? 16 CYS A CB 1 ATOM 140 S SG . CYS A 1 21 ? 11.699 31.164 4.519 1.00 58.55 ? 16 CYS A SG 1 ATOM 141 N N . GLY A 1 22 ? 10.535 31.263 9.466 1.00 49.00 ? 17 GLY A N 1 ATOM 142 C CA . GLY A 1 22 ? 10.344 31.968 10.747 1.00 51.06 ? 17 GLY A CA 1 ATOM 143 C C . GLY A 1 22 ? 10.982 33.345 10.811 1.00 53.85 ? 17 GLY A C 1 ATOM 144 O O . GLY A 1 22 ? 10.434 34.360 10.323 1.00 52.05 ? 17 GLY A O 1 ATOM 145 N N . ASP A 1 23 ? 12.139 33.338 11.461 1.00 54.77 ? 18 ASP A N 1 ATOM 146 C CA . ASP A 1 23 ? 13.139 34.403 11.480 1.00 54.09 ? 18 ASP A CA 1 ATOM 147 C C . ASP A 1 23 ? 13.381 35.223 10.164 1.00 53.13 ? 18 ASP A C 1 ATOM 148 O O . ASP A 1 23 ? 13.226 36.451 10.140 1.00 47.20 ? 18 ASP A O 1 ATOM 149 C CB . ASP A 1 23 ? 14.459 33.760 11.951 1.00 49.80 ? 18 ASP A CB 1 ATOM 150 C CG . ASP A 1 23 ? 15.228 34.659 12.838 1.00 54.53 ? 18 ASP A CG 1 ATOM 151 O OD1 . ASP A 1 23 ? 14.733 35.777 13.079 1.00 51.79 ? 18 ASP A OD1 1 ATOM 152 O OD2 . ASP A 1 23 ? 16.320 34.272 13.305 1.00 62.88 ? 18 ASP A OD2 1 ATOM 153 N N . GLY A 1 24 ? 13.789 34.542 9.088 1.00 51.77 ? 19 GLY A N 1 ATOM 154 C CA . GLY A 1 24 ? 14.320 35.220 7.895 1.00 47.48 ? 19 GLY A CA 1 ATOM 155 C C . GLY A 1 24 ? 15.833 35.199 7.875 1.00 45.16 ? 19 GLY A C 1 ATOM 156 O O . GLY A 1 24 ? 16.439 35.519 6.855 1.00 40.61 ? 19 GLY A O 1 ATOM 157 N N . ARG A 1 25 ? 16.418 34.786 9.014 1.00 50.95 ? 20 ARG A N 1 ATOM 158 C CA . ARG A 1 25 ? 17.886 34.813 9.305 1.00 48.41 ? 20 ARG A CA 1 ATOM 159 C C . ARG A 1 25 ? 18.643 33.560 8.805 1.00 48.72 ? 20 ARG A C 1 ATOM 160 O O . ARG A 1 25 ? 19.880 33.513 8.783 1.00 46.20 ? 20 ARG A O 1 ATOM 161 C CB . ARG A 1 25 ? 18.168 35.084 10.802 1.00 45.66 ? 20 ARG A CB 1 ATOM 162 C CG . ARG A 1 25 ? 17.580 36.385 11.383 1.00 45.52 ? 20 ARG A CG 1 ATOM 163 C CD . ARG A 1 25 ? 18.315 37.659 11.001 1.00 46.21 ? 20 ARG A CD 1 ATOM 164 N NE . ARG A 1 25 ? 19.761 37.452 11.078 1.00 53.43 ? 20 ARG A NE 1 ATOM 165 C CZ . ARG A 1 25 ? 20.687 38.166 10.426 1.00 55.36 ? 20 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 25 ? 20.339 39.183 9.633 1.00 55.02 ? 20 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 25 ? 21.979 37.853 10.561 1.00 53.00 ? 20 ARG A NH2 1 ATOM 168 N N . MET A 1 26 ? 17.867 32.567 8.382 1.00 50.52 ? 21 MET A N 1 ATOM 169 C CA . MET A 1 26 ? 18.323 31.384 7.634 1.00 49.07 ? 21 MET A CA 1 ATOM 170 C C . MET A 1 26 ? 19.158 31.610 6.328 1.00 47.25 ? 21 MET A C 1 ATOM 171 O O . MET A 1 26 ? 18.788 32.422 5.464 1.00 45.55 ? 21 MET A O 1 ATOM 172 C CB . MET A 1 26 ? 17.060 30.590 7.312 1.00 48.94 ? 21 MET A CB 1 ATOM 173 C CG . MET A 1 26 ? 17.156 29.674 6.116 1.00 47.88 ? 21 MET A CG 1 ATOM 174 S SD . MET A 1 26 ? 15.546 28.962 5.810 1.00 49.91 ? 21 MET A SD 1 ATOM 175 C CE . MET A 1 26 ? 15.068 28.317 7.438 1.00 55.72 ? 21 MET A CE 1 ATOM 176 N N . LYS A 1 27 ? 20.260 30.866 6.191 1.00 42.92 ? 22 LYS A N 1 ATOM 177 C CA . LYS A 1 27 ? 21.107 30.864 4.979 1.00 44.28 ? 22 LYS A CA 1 ATOM 178 C C . LYS A 1 27 ? 20.471 30.248 3.711 1.00 43.13 ? 22 LYS A C 1 ATOM 179 O O . LYS A 1 27 ? 19.726 29.266 3.779 1.00 42.73 ? 22 LYS A O 1 ATOM 180 C CB . LYS A 1 27 ? 22.447 30.178 5.274 1.00 47.37 ? 22 LYS A CB 1 ATOM 181 C CG . LYS A 1 27 ? 23.429 31.086 6.006 1.00 53.39 ? 22 LYS A CG 1 ATOM 182 C CD . LYS A 1 27 ? 24.659 30.346 6.514 1.00 60.84 ? 22 LYS A CD 1 ATOM 183 C CE . LYS A 1 27 ? 25.730 31.313 7.025 1.00 65.61 ? 22 LYS A CE 1 ATOM 184 N NZ . LYS A 1 27 ? 26.659 30.674 8.007 1.00 66.56 ? 22 LYS A NZ 1 ATOM 185 N N . VAL A 1 28 ? 20.781 30.805 2.544 1.00 41.18 ? 23 VAL A N 1 ATOM 186 C CA . VAL A 1 28 ? 20.228 30.256 1.295 1.00 43.12 ? 23 VAL A CA 1 ATOM 187 C C . VAL A 1 28 ? 20.258 28.697 1.216 1.00 45.33 ? 23 VAL A C 1 ATOM 188 O O . VAL A 1 28 ? 19.225 28.082 0.947 1.00 44.79 ? 23 VAL A O 1 ATOM 189 C CB . VAL A 1 28 ? 20.840 30.923 0.040 1.00 41.37 ? 23 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 28 ? 20.453 30.166 -1.221 1.00 43.80 ? 23 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 28 ? 20.387 32.366 -0.061 1.00 40.78 ? 23 VAL A CG2 1 ATOM 192 N N . PHE A 1 29 ? 21.405 28.059 1.482 1.00 47.58 ? 24 PHE A N 1 ATOM 193 C CA . PHE A 1 29 ? 21.460 26.583 1.490 1.00 47.67 ? 24 PHE A CA 1 ATOM 194 C C . PHE A 1 29 ? 20.418 25.925 2.420 1.00 44.97 ? 24 PHE A C 1 ATOM 195 O O . PHE A 1 29 ? 19.804 24.942 2.024 1.00 46.17 ? 24 PHE A O 1 ATOM 196 C CB . PHE A 1 29 ? 22.879 26.020 1.703 1.00 50.89 ? 24 PHE A CB 1 ATOM 197 C CG . PHE A 1 29 ? 23.204 25.667 3.148 1.00 65.84 ? 24 PHE A CG 1 ATOM 198 C CD1 . PHE A 1 29 ? 23.479 26.680 4.113 1.00 70.89 ? 24 PHE A CD1 1 ATOM 199 C CD2 . PHE A 1 29 ? 23.270 24.324 3.564 1.00 68.33 ? 24 PHE A CD2 1 ATOM 200 C CE1 . PHE A 1 29 ? 23.808 26.356 5.436 1.00 64.09 ? 24 PHE A CE1 1 ATOM 201 C CE2 . PHE A 1 29 ? 23.594 24.002 4.897 1.00 66.05 ? 24 PHE A CE2 1 ATOM 202 C CZ . PHE A 1 29 ? 23.862 25.014 5.824 1.00 63.95 ? 24 PHE A CZ 1 ATOM 203 N N . SER A 1 30 ? 20.180 26.456 3.621 1.00 42.23 ? 25 SER A N 1 ATOM 204 C CA . SER A 1 30 ? 19.080 25.908 4.454 1.00 43.34 ? 25 SER A CA 1 ATOM 205 C C . SER A 1 30 ? 17.734 25.980 3.736 1.00 41.75 ? 25 SER A C 1 ATOM 206 O O . SER A 1 30 ? 17.000 24.985 3.606 1.00 38.89 ? 25 SER A O 1 ATOM 207 C CB . SER A 1 30 ? 18.965 26.618 5.795 1.00 43.30 ? 25 SER A CB 1 ATOM 208 O OG . SER A 1 30 ? 19.962 26.152 6.675 1.00 48.61 ? 25 SER A OG 1 ATOM 209 N N . LEU A 1 31 ? 17.431 27.174 3.249 1.00 42.76 ? 26 LEU A N 1 ATOM 210 C CA . LEU A 1 31 ? 16.239 27.387 2.468 1.00 41.89 ? 26 LEU A CA 1 ATOM 211 C C . LEU A 1 31 ? 16.102 26.331 1.398 1.00 41.69 ? 26 LEU A C 1 ATOM 212 O O . LEU A 1 31 ? 15.026 25.748 1.247 1.00 42.54 ? 26 LEU A O 1 ATOM 213 C CB . LEU A 1 31 ? 16.270 28.764 1.820 1.00 43.05 ? 26 LEU A CB 1 ATOM 214 C CG . LEU A 1 31 ? 15.081 29.044 0.896 1.00 45.94 ? 26 LEU A CG 1 ATOM 215 C CD1 . LEU A 1 31 ? 13.787 28.912 1.688 1.00 43.75 ? 26 LEU A CD1 1 ATOM 216 C CD2 . LEU A 1 31 ? 15.194 30.398 0.189 1.00 43.00 ? 26 LEU A CD2 1 ATOM 217 N N . ILE A 1 32 ? 17.189 26.086 0.665 1.00 39.33 ? 27 ILE A N 1 ATOM 218 C CA . ILE A 1 32 ? 17.123 25.222 -0.502 1.00 40.20 ? 27 ILE A CA 1 ATOM 219 C C . ILE A 1 32 ? 16.579 23.840 -0.147 1.00 42.83 ? 27 ILE A C 1 ATOM 220 O O . ILE A 1 32 ? 15.694 23.303 -0.842 1.00 45.58 ? 27 ILE A O 1 ATOM 221 C CB . ILE A 1 32 ? 18.476 25.091 -1.204 1.00 39.30 ? 27 ILE A CB 1 ATOM 222 C CG1 . ILE A 1 32 ? 19.010 26.467 -1.569 1.00 41.42 ? 27 ILE A CG1 1 ATOM 223 C CG2 . ILE A 1 32 ? 18.325 24.258 -2.463 1.00 39.47 ? 27 ILE A CG2 1 ATOM 224 C CD1 . ILE A 1 32 ? 20.269 26.433 -2.397 1.00 39.94 ? 27 ILE A CD1 1 ATOM 225 N N . GLN A 1 33 ? 17.098 23.280 0.943 1.00 40.65 ? 28 GLN A N 1 ATOM 226 C CA . GLN A 1 33 ? 16.678 21.980 1.418 1.00 39.11 ? 28 GLN A CA 1 ATOM 227 C C . GLN A 1 33 ? 15.211 22.017 1.781 1.00 40.08 ? 28 GLN A C 1 ATOM 228 O O . GLN A 1 33 ? 14.449 21.160 1.346 1.00 39.82 ? 28 GLN A O 1 ATOM 229 C CB . GLN A 1 33 ? 17.502 21.590 2.629 1.00 42.04 ? 28 GLN A CB 1 ATOM 230 C CG . GLN A 1 33 ? 18.999 21.620 2.378 1.00 40.17 ? 28 GLN A CG 1 ATOM 231 C CD . GLN A 1 33 ? 19.788 21.186 3.581 1.00 40.65 ? 28 GLN A CD 1 ATOM 232 O OE1 . GLN A 1 33 ? 20.583 21.954 4.096 1.00 44.15 ? 28 GLN A OE1 1 ATOM 233 N NE2 . GLN A 1 33 ? 19.560 19.956 4.050 1.00 40.80 ? 28 GLN A NE2 1 ATOM 234 N N . GLN A 1 34 ? 14.820 23.037 2.546 1.00 40.30 ? 29 GLN A N 1 ATOM 235 C CA . GLN A 1 34 ? 13.439 23.196 2.991 1.00 41.32 ? 29 GLN A CA 1 ATOM 236 C C . GLN A 1 34 ? 12.471 23.243 1.834 1.00 42.69 ? 29 GLN A C 1 ATOM 237 O O . GLN A 1 34 ? 11.315 22.825 1.953 1.00 45.68 ? 29 GLN A O 1 ATOM 238 C CB . GLN A 1 34 ? 13.282 24.503 3.727 1.00 41.76 ? 29 GLN A CB 1 ATOM 239 C CG . GLN A 1 34 ? 14.164 24.659 4.922 1.00 45.89 ? 29 GLN A CG 1 ATOM 240 C CD . GLN A 1 34 ? 13.585 23.986 6.128 1.00 49.24 ? 29 GLN A CD 1 ATOM 241 O OE1 . GLN A 1 34 ? 12.695 23.113 6.013 1.00 48.76 ? 29 GLN A OE1 1 ATOM 242 N NE2 . GLN A 1 34 ? 14.093 24.371 7.307 1.00 48.73 ? 29 GLN A NE2 1 ATOM 243 N N . ALA A 1 35 ? 12.930 23.819 0.729 1.00 40.70 ? 30 ALA A N 1 ATOM 244 C CA . ALA A 1 35 ? 12.104 23.952 -0.430 1.00 38.88 ? 30 ALA A CA 1 ATOM 245 C C . ALA A 1 35 ? 11.956 22.559 -1.030 1.00 42.51 ? 30 ALA A C 1 ATOM 246 O O . ALA A 1 35 ? 10.854 22.155 -1.443 1.00 46.95 ? 30 ALA A O 1 ATOM 247 C CB . ALA A 1 35 ? 12.742 24.906 -1.411 1.00 36.63 ? 30 ALA A CB 1 ATOM 248 N N . VAL A 1 36 ? 13.048 21.803 -1.050 1.00 38.81 ? 31 VAL A N 1 ATOM 249 C CA . VAL A 1 36 ? 13.009 20.517 -1.708 1.00 38.68 ? 31 VAL A CA 1 ATOM 250 C C . VAL A 1 36 ? 12.042 19.591 -0.991 1.00 42.66 ? 31 VAL A C 1 ATOM 251 O O . VAL A 1 36 ? 11.202 18.972 -1.641 1.00 46.17 ? 31 VAL A O 1 ATOM 252 C CB . VAL A 1 36 ? 14.404 19.907 -1.835 1.00 37.39 ? 31 VAL A CB 1 ATOM 253 C CG1 . VAL A 1 36 ? 14.322 18.414 -2.095 1.00 34.46 ? 31 VAL A CG1 1 ATOM 254 C CG2 . VAL A 1 36 ? 15.176 20.634 -2.933 1.00 38.56 ? 31 VAL A CG2 1 ATOM 255 N N . THR A 1 37 ? 12.138 19.539 0.344 1.00 45.68 ? 32 THR A N 1 ATOM 256 C CA . THR A 1 37 ? 11.330 18.650 1.187 1.00 41.89 ? 32 THR A CA 1 ATOM 257 C C . THR A 1 37 ? 9.885 18.753 0.778 1.00 39.27 ? 32 THR A C 1 ATOM 258 O O . THR A 1 37 ? 9.217 17.742 0.602 1.00 39.38 ? 32 THR A O 1 ATOM 259 C CB . THR A 1 37 ? 11.410 19.025 2.688 1.00 46.39 ? 32 THR A CB 1 ATOM 260 O OG1 . THR A 1 37 ? 12.599 19.768 2.965 1.00 55.38 ? 32 THR A OG1 1 ATOM 261 C CG2 . THR A 1 37 ? 11.428 17.797 3.550 1.00 51.10 ? 32 THR A CG2 1 ATOM 262 N N . ARG A 1 38 ? 9.436 19.995 0.597 1.00 38.91 ? 33 ARG A N 1 ATOM 263 C CA . ARG A 1 38 ? 8.020 20.349 0.396 1.00 42.19 ? 33 ARG A CA 1 ATOM 264 C C . ARG A 1 38 ? 7.542 20.051 -1.011 1.00 41.95 ? 33 ARG A C 1 ATOM 265 O O . ARG A 1 38 ? 6.456 19.484 -1.214 1.00 37.55 ? 33 ARG A O 1 ATOM 266 C CB . ARG A 1 38 ? 7.798 21.837 0.730 1.00 43.36 ? 33 ARG A CB 1 ATOM 267 C CG . ARG A 1 38 ? 8.163 22.162 2.171 1.00 44.09 ? 33 ARG A CG 1 ATOM 268 C CD . ARG A 1 38 ? 7.699 23.528 2.617 1.00 45.96 ? 33 ARG A CD 1 ATOM 269 N NE . ARG A 1 38 ? 7.636 23.621 4.076 1.00 47.55 ? 33 ARG A NE 1 ATOM 270 C CZ . ARG A 1 38 ? 8.688 23.637 4.894 1.00 46.01 ? 33 ARG A CZ 1 ATOM 271 N NH1 . ARG A 1 38 ? 9.924 23.559 4.405 1.00 48.13 ? 33 ARG A NH1 1 ATOM 272 N NH2 . ARG A 1 38 ? 8.500 23.722 6.211 1.00 42.50 ? 33 ARG A NH2 1 ATOM 273 N N . TYR A 1 39 ? 8.368 20.476 -1.963 1.00 43.25 ? 34 TYR A N 1 ATOM 274 C CA . TYR A 1 39 ? 8.288 20.047 -3.331 1.00 45.00 ? 34 TYR A CA 1 ATOM 275 C C . TYR A 1 39 ? 8.168 18.524 -3.469 1.00 49.02 ? 34 TYR A C 1 ATOM 276 O O . TYR A 1 39 ? 7.242 18.029 -4.120 1.00 48.18 ? 34 TYR A O 1 ATOM 277 C CB . TYR A 1 39 ? 9.514 20.519 -4.069 1.00 45.02 ? 34 TYR A CB 1 ATOM 278 C CG . TYR A 1 39 ? 9.487 20.067 -5.491 1.00 50.96 ? 34 TYR A CG 1 ATOM 279 C CD1 . TYR A 1 39 ? 8.453 20.461 -6.345 1.00 52.06 ? 34 TYR A CD1 1 ATOM 280 C CD2 . TYR A 1 39 ? 10.475 19.219 -5.996 1.00 53.25 ? 34 TYR A CD2 1 ATOM 281 C CE1 . TYR A 1 39 ? 8.418 20.033 -7.664 1.00 53.33 ? 34 TYR A CE1 1 ATOM 282 C CE2 . TYR A 1 39 ? 10.446 18.793 -7.319 1.00 50.50 ? 34 TYR A CE2 1 ATOM 283 C CZ . TYR A 1 39 ? 9.416 19.201 -8.137 1.00 50.77 ? 34 TYR A CZ 1 ATOM 284 O OH . TYR A 1 39 ? 9.377 18.788 -9.430 1.00 51.75 ? 34 TYR A OH 1 ATOM 285 N N . ARG A 1 40 ? 9.109 17.789 -2.869 1.00 55.04 ? 35 ARG A N 1 ATOM 286 C CA . ARG A 1 40 ? 9.013 16.322 -2.775 1.00 58.92 ? 35 ARG A CA 1 ATOM 287 C C . ARG A 1 40 ? 7.584 15.883 -2.399 1.00 58.71 ? 35 ARG A C 1 ATOM 288 O O . ARG A 1 40 ? 6.970 15.051 -3.096 1.00 63.92 ? 35 ARG A O 1 ATOM 289 C CB . ARG A 1 40 ? 10.046 15.722 -1.790 1.00 60.68 ? 35 ARG A CB 1 ATOM 290 C CG . ARG A 1 40 ? 11.487 15.654 -2.295 1.00 66.36 ? 35 ARG A CG 1 ATOM 291 C CD . ARG A 1 40 ? 12.227 14.419 -1.792 1.00 70.32 ? 35 ARG A CD 1 ATOM 292 N NE . ARG A 1 40 ? 12.058 13.294 -2.720 1.00 87.95 ? 35 ARG A NE 1 ATOM 293 C CZ . ARG A 1 40 ? 12.895 12.252 -2.847 1.00 104.44 ? 35 ARG A CZ 1 ATOM 294 N NH1 . ARG A 1 40 ? 13.997 12.164 -2.093 1.00 108.24 ? 35 ARG A NH1 1 ATOM 295 N NH2 . ARG A 1 40 ? 12.632 11.287 -3.736 1.00 93.52 ? 35 ARG A NH2 1 ATOM 296 N N . LYS A 1 41 ? 7.051 16.464 -1.324 1.00 52.88 ? 36 LYS A N 1 ATOM 297 C CA . LYS A 1 41 ? 5.723 16.102 -0.842 1.00 52.41 ? 36 LYS A CA 1 ATOM 298 C C . LYS A 1 41 ? 4.628 16.451 -1.852 1.00 56.44 ? 36 LYS A C 1 ATOM 299 O O . LYS A 1 41 ? 3.601 15.768 -1.948 1.00 54.67 ? 36 LYS A O 1 ATOM 300 C CB . LYS A 1 41 ? 5.423 16.795 0.473 1.00 48.62 ? 36 LYS A CB 1 ATOM 301 C CG . LYS A 1 41 ? 6.344 16.422 1.613 1.00 49.00 ? 36 LYS A CG 1 ATOM 302 C CD . LYS A 1 41 ? 5.581 16.622 2.900 1.00 52.62 ? 36 LYS A CD 1 ATOM 303 C CE . LYS A 1 41 ? 6.469 17.017 4.065 1.00 58.19 ? 36 LYS A CE 1 ATOM 304 N NZ . LYS A 1 41 ? 5.609 17.324 5.259 1.00 57.28 ? 36 LYS A NZ 1 ATOM 305 N N . ALA A 1 42 ? 4.847 17.509 -2.619 1.00 56.79 ? 37 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? 3.795 18.006 -3.479 1.00 55.06 ? 37 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? 3.734 17.254 -4.782 1.00 57.31 ? 37 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? 2.788 17.416 -5.533 1.00 61.30 ? 37 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? 3.969 19.498 -3.735 1.00 52.19 ? 37 ALA A CB 1 ATOM 310 N N . VAL A 1 43 ? 4.717 16.426 -5.080 1.00 59.65 ? 38 VAL A N 1 ATOM 311 C CA . VAL A 1 43 ? 4.834 16.079 -6.476 1.00 66.89 ? 38 VAL A CA 1 ATOM 312 C C . VAL A 1 43 ? 4.870 14.597 -6.823 1.00 72.87 ? 38 VAL A C 1 ATOM 313 O O . VAL A 1 43 ? 4.489 14.239 -7.936 1.00 73.73 ? 38 VAL A O 1 ATOM 314 C CB . VAL A 1 43 ? 5.953 16.904 -7.152 1.00 70.81 ? 38 VAL A CB 1 ATOM 315 C CG1 . VAL A 1 43 ? 7.289 16.168 -7.090 1.00 73.66 ? 38 VAL A CG1 1 ATOM 316 C CG2 . VAL A 1 43 ? 5.558 17.321 -8.570 1.00 63.56 ? 38 VAL A CG2 1 ATOM 317 N N . ALA A 1 44 ? 5.323 13.744 -5.902 1.00 81.25 ? 39 ALA A N 1 ATOM 318 C CA . ALA A 1 44 ? 5.102 12.272 -6.014 1.00 94.72 ? 39 ALA A CA 1 ATOM 319 C C . ALA A 1 44 ? 5.723 11.486 -7.224 1.00 95.90 ? 39 ALA A C 1 ATOM 320 O O . ALA A 1 44 ? 5.688 11.943 -8.372 1.00 89.63 ? 39 ALA A O 1 ATOM 321 C CB . ALA A 1 44 ? 3.600 11.947 -5.877 1.00 90.07 ? 39 ALA A CB 1 ATOM 322 N N . LYS A 1 45 ? 6.260 10.287 -6.985 1.00 94.48 ? 40 LYS A N 1 ATOM 323 C CA . LYS A 1 45 ? 6.359 9.625 -5.671 1.00 99.39 ? 40 LYS A CA 1 ATOM 324 C C . LYS A 1 45 ? 7.271 8.428 -5.918 1.00 100.92 ? 40 LYS A C 1 ATOM 325 O O . LYS A 1 45 ? 7.458 7.575 -5.037 1.00 102.77 ? 40 LYS A O 1 ATOM 326 C CB . LYS A 1 45 ? 4.968 9.182 -5.130 1.00 88.54 ? 40 LYS A CB 1 ATOM 327 C CG . LYS A 1 45 ? 4.778 9.024 -3.603 1.00 82.50 ? 40 LYS A CG 1 ATOM 328 C CD . LYS A 1 45 ? 5.881 9.544 -2.667 1.00 79.55 ? 40 LYS A CD 1 ATOM 329 C CE . LYS A 1 45 ? 6.212 11.039 -2.782 1.00 82.92 ? 40 LYS A CE 1 ATOM 330 N NZ . LYS A 1 45 ? 5.069 11.984 -2.617 1.00 73.26 ? 40 LYS A NZ 1 ATOM 331 N N . ASP A 1 46 ? 7.853 8.421 -7.126 1.00 97.26 ? 41 ASP A N 1 ATOM 332 C CA . ASP A 1 46 ? 8.590 7.287 -7.713 1.00 100.31 ? 41 ASP A CA 1 ATOM 333 C C . ASP A 1 46 ? 9.718 6.705 -6.821 1.00 106.06 ? 41 ASP A C 1 ATOM 334 O O . ASP A 1 46 ? 10.468 7.469 -6.198 1.00 104.04 ? 41 ASP A O 1 ATOM 335 C CB . ASP A 1 46 ? 9.151 7.703 -9.078 1.00 93.93 ? 41 ASP A CB 1 ATOM 336 C CG . ASP A 1 46 ? 9.678 6.530 -9.861 1.00 92.21 ? 41 ASP A CG 1 ATOM 337 O OD1 . ASP A 1 46 ? 8.862 5.863 -10.525 1.00 92.24 ? 41 ASP A OD1 1 ATOM 338 O OD2 . ASP A 1 46 ? 10.902 6.262 -9.797 1.00 85.18 ? 41 ASP A OD2 1 ATOM 339 N N . PRO A 1 47 ? 9.850 5.352 -6.770 1.00 106.91 ? 42 PRO A N 1 ATOM 340 C CA . PRO A 1 47 ? 10.788 4.681 -5.839 1.00 103.40 ? 42 PRO A CA 1 ATOM 341 C C . PRO A 1 47 ? 12.263 5.153 -5.891 1.00 93.95 ? 42 PRO A C 1 ATOM 342 O O . PRO A 1 47 ? 12.939 5.177 -4.856 1.00 79.28 ? 42 PRO A O 1 ATOM 343 C CB . PRO A 1 47 ? 10.677 3.195 -6.238 1.00 107.19 ? 42 PRO A CB 1 ATOM 344 C CG . PRO A 1 47 ? 10.099 3.201 -7.621 1.00 105.28 ? 42 PRO A CG 1 ATOM 345 C CD . PRO A 1 47 ? 9.144 4.362 -7.607 1.00 104.89 ? 42 PRO A CD 1 ATOM 346 N N . ASN A 1 48 ? 12.753 5.517 -7.077 1.00 88.06 ? 43 ASN A N 1 ATOM 347 C CA . ASN A 1 48 ? 14.141 5.987 -7.216 1.00 88.71 ? 43 ASN A CA 1 ATOM 348 C C . ASN A 1 48 ? 14.300 7.488 -7.539 1.00 88.78 ? 43 ASN A C 1 ATOM 349 O O . ASN A 1 48 ? 15.332 7.912 -8.080 1.00 81.70 ? 43 ASN A O 1 ATOM 350 C CB . ASN A 1 48 ? 14.990 5.076 -8.155 1.00 87.80 ? 43 ASN A CB 1 ATOM 351 C CG . ASN A 1 48 ? 14.563 5.122 -9.628 1.00 84.50 ? 43 ASN A CG 1 ATOM 352 O OD1 . ASN A 1 48 ? 13.468 4.668 -9.994 1.00 81.88 ? 43 ASN A OD1 1 ATOM 353 N ND2 . ASN A 1 48 ? 15.458 5.623 -10.488 1.00 72.57 ? 43 ASN A ND2 1 ATOM 354 N N . TYR A 1 49 ? 13.282 8.278 -7.181 1.00 86.39 ? 44 TYR A N 1 ATOM 355 C CA . TYR A 1 49 ? 13.281 9.722 -7.423 1.00 83.73 ? 44 TYR A CA 1 ATOM 356 C C . TYR A 1 49 ? 14.545 10.371 -6.898 1.00 82.63 ? 44 TYR A C 1 ATOM 357 O O . TYR A 1 49 ? 15.194 9.839 -6.002 1.00 90.16 ? 44 TYR A O 1 ATOM 358 C CB . TYR A 1 49 ? 12.079 10.395 -6.754 1.00 90.49 ? 44 TYR A CB 1 ATOM 359 C CG . TYR A 1 49 ? 11.886 11.823 -7.210 1.00 94.74 ? 44 TYR A CG 1 ATOM 360 C CD1 . TYR A 1 49 ? 12.548 12.872 -6.572 1.00 89.35 ? 44 TYR A CD1 1 ATOM 361 C CD2 . TYR A 1 49 ? 11.056 12.123 -8.301 1.00 94.90 ? 44 TYR A CD2 1 ATOM 362 C CE1 . TYR A 1 49 ? 12.398 14.176 -7.006 1.00 90.88 ? 44 TYR A CE1 1 ATOM 363 C CE2 . TYR A 1 49 ? 10.887 13.428 -8.730 1.00 90.41 ? 44 TYR A CE2 1 ATOM 364 C CZ . TYR A 1 49 ? 11.564 14.450 -8.080 1.00 89.12 ? 44 TYR A CZ 1 ATOM 365 O OH . TYR A 1 49 ? 11.417 15.752 -8.498 1.00 84.89 ? 44 TYR A OH 1 ATOM 366 N N . TRP A 1 50 ? 14.887 11.522 -7.463 1.00 79.20 ? 45 TRP A N 1 ATOM 367 C CA . TRP A 1 50 ? 15.990 12.329 -6.973 1.00 72.73 ? 45 TRP A CA 1 ATOM 368 C C . TRP A 1 50 ? 15.860 13.719 -7.466 1.00 71.68 ? 45 TRP A C 1 ATOM 369 O O . TRP A 1 50 ? 15.401 13.951 -8.586 1.00 70.55 ? 45 TRP A O 1 ATOM 370 C CB . TRP A 1 50 ? 17.320 11.768 -7.440 1.00 73.76 ? 45 TRP A CB 1 ATOM 371 C CG . TRP A 1 50 ? 17.468 11.620 -8.936 1.00 72.60 ? 45 TRP A CG 1 ATOM 372 C CD1 . TRP A 1 50 ? 17.111 10.525 -9.721 1.00 73.17 ? 45 TRP A CD1 1 ATOM 373 C CD2 . TRP A 1 50 ? 18.051 12.585 -9.873 1.00 71.50 ? 45 TRP A CD2 1 ATOM 374 N NE1 . TRP A 1 50 ? 17.416 10.741 -11.039 1.00 76.57 ? 45 TRP A NE1 1 ATOM 375 C CE2 . TRP A 1 50 ? 17.990 11.955 -11.202 1.00 77.08 ? 45 TRP A CE2 1 ATOM 376 C CE3 . TRP A 1 50 ? 18.593 13.853 -9.755 1.00 67.73 ? 45 TRP A CE3 1 ATOM 377 C CZ2 . TRP A 1 50 ? 18.459 12.594 -12.344 1.00 78.18 ? 45 TRP A CZ2 1 ATOM 378 C CZ3 . TRP A 1 50 ? 19.066 14.487 -10.910 1.00 72.73 ? 45 TRP A CZ3 1 ATOM 379 C CH2 . TRP A 1 50 ? 18.997 13.873 -12.175 1.00 78.57 ? 45 TRP A CH2 1 ATOM 380 N N . ILE A 1 51 ? 16.286 14.666 -6.643 1.00 66.89 ? 46 ILE A N 1 ATOM 381 C CA . ILE A 1 51 ? 16.294 16.052 -7.080 1.00 63.35 ? 46 ILE A CA 1 ATOM 382 C C . ILE A 1 51 ? 17.628 16.765 -6.782 1.00 59.31 ? 46 ILE A C 1 ATOM 383 O O . ILE A 1 51 ? 18.166 16.675 -5.680 1.00 55.22 ? 46 ILE A O 1 ATOM 384 C CB . ILE A 1 51 ? 15.026 16.785 -6.581 1.00 60.24 ? 46 ILE A CB 1 ATOM 385 C CG1 . ILE A 1 51 ? 15.123 18.280 -6.813 1.00 55.54 ? 46 ILE A CG1 1 ATOM 386 C CG2 . ILE A 1 51 ? 14.751 16.450 -5.125 1.00 58.10 ? 46 ILE A CG2 1 ATOM 387 C CD1 . ILE A 1 51 ? 13.776 18.900 -7.045 1.00 59.37 ? 46 ILE A CD1 1 ATOM 388 N N . GLN A 1 52 ? 18.176 17.437 -7.793 1.00 60.12 ? 47 GLN A N 1 ATOM 389 C CA . GLN A 1 52 ? 19.413 18.195 -7.615 1.00 62.46 ? 47 GLN A CA 1 ATOM 390 C C . GLN A 1 52 ? 19.207 19.669 -7.894 1.00 59.73 ? 47 GLN A C 1 ATOM 391 O O . GLN A 1 52 ? 18.894 20.070 -9.009 1.00 60.43 ? 47 GLN A O 1 ATOM 392 C CB . GLN A 1 52 ? 20.563 17.623 -8.456 1.00 65.77 ? 47 GLN A CB 1 ATOM 393 C CG . GLN A 1 52 ? 21.295 16.455 -7.789 1.00 71.36 ? 47 GLN A CG 1 ATOM 394 C CD . GLN A 1 52 ? 22.112 16.864 -6.557 1.00 76.56 ? 47 GLN A CD 1 ATOM 395 O OE1 . GLN A 1 52 ? 21.928 16.315 -5.451 1.00 68.28 ? 47 GLN A OE1 1 ATOM 396 N NE2 . GLN A 1 52 ? 23.024 17.831 -6.744 1.00 76.26 ? 47 GLN A NE2 1 ATOM 397 N N . VAL A 1 53 ? 19.368 20.473 -6.859 1.00 54.50 ? 48 VAL A N 1 ATOM 398 C CA . VAL A 1 53 ? 19.244 21.909 -7.013 1.00 53.73 ? 48 VAL A CA 1 ATOM 399 C C . VAL A 1 53 ? 20.602 22.511 -7.311 1.00 51.28 ? 48 VAL A C 1 ATOM 400 O O . VAL A 1 53 ? 21.589 22.241 -6.622 1.00 51.81 ? 48 VAL A O 1 ATOM 401 C CB . VAL A 1 53 ? 18.624 22.554 -5.768 1.00 50.26 ? 48 VAL A CB 1 ATOM 402 C CG1 . VAL A 1 53 ? 18.874 24.039 -5.729 1.00 48.54 ? 48 VAL A CG1 1 ATOM 403 C CG2 . VAL A 1 53 ? 17.141 22.288 -5.761 1.00 52.95 ? 48 VAL A CG2 1 ATOM 404 N N . HIS A 1 54 ? 20.640 23.327 -8.352 1.00 49.05 ? 49 HIS A N 1 ATOM 405 C CA . HIS A 1 54 ? 21.869 23.985 -8.740 1.00 50.56 ? 49 HIS A CA 1 ATOM 406 C C . HIS A 1 54 ? 21.954 25.337 -8.128 1.00 48.83 ? 49 HIS A C 1 ATOM 407 O O . HIS A 1 54 ? 22.927 25.631 -7.441 1.00 51.08 ? 49 HIS A O 1 ATOM 408 C CB . HIS A 1 54 ? 22.010 24.011 -10.265 1.00 56.46 ? 49 HIS A CB 1 ATOM 409 C CG . HIS A 1 54 ? 21.966 22.638 -10.876 1.00 60.53 ? 49 HIS A CG 1 ATOM 410 N ND1 . HIS A 1 54 ? 22.862 21.672 -10.550 1.00 58.48 ? 49 HIS A ND1 1 ATOM 411 C CD2 . HIS A 1 54 ? 21.060 22.060 -11.762 1.00 61.68 ? 49 HIS A CD2 1 ATOM 412 C CE1 . HIS A 1 54 ? 22.550 20.542 -11.205 1.00 59.77 ? 49 HIS A CE1 1 ATOM 413 N NE2 . HIS A 1 54 ? 21.451 20.781 -11.954 1.00 63.30 ? 49 HIS A NE2 1 ATOM 414 N N . ARG A 1 55 ? 20.923 26.155 -8.340 1.00 49.99 ? 50 ARG A N 1 ATOM 415 C CA . ARG A 1 55 ? 20.822 27.461 -7.700 1.00 49.87 ? 50 ARG A CA 1 ATOM 416 C C . ARG A 1 55 ? 19.379 27.976 -7.563 1.00 55.61 ? 50 ARG A C 1 ATOM 417 O O . ARG A 1 55 ? 18.481 27.539 -8.319 1.00 57.66 ? 50 ARG A O 1 ATOM 418 C CB . ARG A 1 55 ? 21.681 28.473 -8.449 1.00 48.14 ? 50 ARG A CB 1 ATOM 419 C CG . ARG A 1 55 ? 21.299 28.696 -9.886 1.00 43.97 ? 50 ARG A CG 1 ATOM 420 C CD . ARG A 1 55 ? 22.462 29.350 -10.593 1.00 45.53 ? 50 ARG A CD 1 ATOM 421 N NE . ARG A 1 55 ? 22.037 29.824 -11.907 1.00 51.45 ? 50 ARG A NE 1 ATOM 422 C CZ . ARG A 1 55 ? 21.928 29.051 -12.992 1.00 50.43 ? 50 ARG A CZ 1 ATOM 423 N NH1 . ARG A 1 55 ? 22.204 27.745 -12.947 1.00 42.79 ? 50 ARG A NH1 1 ATOM 424 N NH2 . ARG A 1 55 ? 21.513 29.591 -14.132 1.00 55.83 ? 50 ARG A NH2 1 ATOM 425 N N . LEU A 1 56 ? 19.180 28.874 -6.578 1.00 49.51 ? 51 LEU A N 1 ATOM 426 C CA . LEU A 1 56 ? 17.997 29.728 -6.445 1.00 45.30 ? 51 LEU A CA 1 ATOM 427 C C . LEU A 1 56 ? 18.223 31.092 -7.090 1.00 46.12 ? 51 LEU A C 1 ATOM 428 O O . LEU A 1 56 ? 19.338 31.607 -7.104 1.00 47.69 ? 51 LEU A O 1 ATOM 429 C CB . LEU A 1 56 ? 17.673 29.959 -4.975 1.00 48.22 ? 51 LEU A CB 1 ATOM 430 C CG . LEU A 1 56 ? 16.569 29.190 -4.253 1.00 47.52 ? 51 LEU A CG 1 ATOM 431 C CD1 . LEU A 1 56 ? 16.949 27.727 -4.180 1.00 51.94 ? 51 LEU A CD1 1 ATOM 432 C CD2 . LEU A 1 56 ? 16.400 29.734 -2.850 1.00 43.87 ? 51 LEU A CD2 1 ATOM 433 N N . GLU A 1 57 ? 17.152 31.686 -7.609 1.00 49.79 ? 52 GLU A N 1 ATOM 434 C CA . GLU A 1 57 ? 17.204 32.984 -8.308 1.00 50.71 ? 52 GLU A CA 1 ATOM 435 C C . GLU A 1 57 ? 16.017 33.884 -7.955 1.00 50.54 ? 52 GLU A C 1 ATOM 436 O O . GLU A 1 57 ? 14.987 33.413 -7.436 1.00 44.78 ? 52 GLU A O 1 ATOM 437 C CB . GLU A 1 57 ? 17.230 32.794 -9.829 1.00 48.02 ? 52 GLU A CB 1 ATOM 438 C CG . GLU A 1 57 ? 18.491 32.142 -10.365 1.00 52.28 ? 52 GLU A CG 1 ATOM 439 C CD . GLU A 1 57 ? 18.493 32.071 -11.888 1.00 53.26 ? 52 GLU A CD 1 ATOM 440 O OE1 . GLU A 1 57 ? 17.394 32.299 -12.464 1.00 45.30 ? 52 GLU A OE1 1 ATOM 441 O OE2 . GLU A 1 57 ? 19.588 31.811 -12.486 1.00 48.84 ? 52 GLU A OE2 1 ATOM 442 N N . HIS A 1 58 ? 16.172 35.181 -8.234 1.00 49.32 ? 53 HIS A N 1 ATOM 443 C CA . HIS A 1 58 ? 15.024 36.062 -8.302 1.00 49.70 ? 53 HIS A CA 1 ATOM 444 C C . HIS A 1 58 ? 14.399 35.793 -9.625 1.00 48.92 ? 53 HIS A C 1 ATOM 445 O O . HIS A 1 58 ? 14.936 35.002 -10.401 1.00 49.96 ? 53 HIS A O 1 ATOM 446 C CB . HIS A 1 58 ? 15.434 37.518 -8.118 1.00 49.71 ? 53 HIS A CB 1 ATOM 447 C CG . HIS A 1 58 ? 15.628 37.898 -6.669 1.00 51.50 ? 53 HIS A CG 1 ATOM 448 N ND1 . HIS A 1 58 ? 14.663 37.706 -5.733 1.00 53.06 ? 53 HIS A ND1 1 ATOM 449 C CD2 . HIS A 1 58 ? 16.724 38.444 -5.997 1.00 53.85 ? 53 HIS A CD2 1 ATOM 450 C CE1 . HIS A 1 58 ? 15.111 38.121 -4.529 1.00 56.27 ? 53 HIS A CE1 1 ATOM 451 N NE2 . HIS A 1 58 ? 16.374 38.579 -4.689 1.00 59.14 ? 53 HIS A NE2 1 ATOM 452 N N . GLY A 1 59 ? 13.242 36.389 -9.886 1.00 50.28 ? 54 GLY A N 1 ATOM 453 C CA . GLY A 1 59 ? 12.644 36.319 -11.223 1.00 50.26 ? 54 GLY A CA 1 ATOM 454 C C . GLY A 1 59 ? 13.558 36.886 -12.306 1.00 51.41 ? 54 GLY A C 1 ATOM 455 O O . GLY A 1 59 ? 13.483 36.455 -13.457 1.00 53.29 ? 54 GLY A O 1 ATOM 456 N N . ASP A 1 60 ? 14.400 37.857 -11.918 1.00 51.03 ? 55 ASP A N 1 ATOM 457 C CA . ASP A 1 60 ? 15.519 38.412 -12.707 1.00 51.93 ? 55 ASP A CA 1 ATOM 458 C C . ASP A 1 60 ? 16.457 37.396 -13.346 1.00 55.35 ? 55 ASP A C 1 ATOM 459 O O . ASP A 1 60 ? 16.984 37.634 -14.448 1.00 59.55 ? 55 ASP A O 1 ATOM 460 C CB . ASP A 1 60 ? 16.428 39.249 -11.804 1.00 50.78 ? 55 ASP A CB 1 ATOM 461 C CG . ASP A 1 60 ? 16.051 40.688 -11.781 1.00 54.09 ? 55 ASP A CG 1 ATOM 462 O OD1 . ASP A 1 60 ? 14.887 40.975 -11.458 1.00 58.73 ? 55 ASP A OD1 1 ATOM 463 O OD2 . ASP A 1 60 ? 16.919 41.544 -12.064 1.00 57.59 ? 55 ASP A OD2 1 ATOM 464 N N . GLY A 1 61 ? 16.694 36.293 -12.635 1.00 48.79 ? 56 GLY A N 1 ATOM 465 C CA . GLY A 1 61 ? 17.852 35.454 -12.887 1.00 49.21 ? 56 GLY A CA 1 ATOM 466 C C . GLY A 1 61 ? 18.990 35.898 -11.975 1.00 50.43 ? 56 GLY A C 1 ATOM 467 O O . GLY A 1 61 ? 20.122 35.362 -12.054 1.00 51.80 ? 56 GLY A O 1 ATOM 468 N N . GLY A 1 62 ? 18.690 36.895 -11.132 1.00 47.08 ? 57 GLY A N 1 ATOM 469 C CA . GLY A 1 62 ? 19.575 37.329 -10.046 1.00 46.51 ? 57 GLY A CA 1 ATOM 470 C C . GLY A 1 62 ? 19.885 36.148 -9.164 1.00 45.33 ? 57 GLY A C 1 ATOM 471 O O . GLY A 1 62 ? 18.978 35.530 -8.647 1.00 48.40 ? 57 GLY A O 1 ATOM 472 N N . ILE A 1 63 ? 21.163 35.823 -9.015 1.00 45.41 ? 58 ILE A N 1 ATOM 473 C CA . ILE A 1 63 ? 21.570 34.582 -8.367 1.00 47.08 ? 58 ILE A CA 1 ATOM 474 C C . ILE A 1 63 ? 21.967 34.764 -6.908 1.00 45.14 ? 58 ILE A C 1 ATOM 475 O O . ILE A 1 63 ? 22.936 35.486 -6.599 1.00 44.77 ? 58 ILE A O 1 ATOM 476 C CB . ILE A 1 63 ? 22.715 33.878 -9.138 1.00 47.76 ? 58 ILE A CB 1 ATOM 477 C CG1 . ILE A 1 63 ? 22.260 33.538 -10.563 1.00 52.68 ? 58 ILE A CG1 1 ATOM 478 C CG2 . ILE A 1 63 ? 23.155 32.613 -8.405 1.00 45.42 ? 58 ILE A CG2 1 ATOM 479 C CD1 . ILE A 1 63 ? 23.375 33.273 -11.559 1.00 52.25 ? 58 ILE A CD1 1 ATOM 480 N N . LEU A 1 64 ? 21.241 34.047 -6.038 1.00 45.33 ? 59 LEU A N 1 ATOM 481 C CA . LEU A 1 64 ? 21.408 34.079 -4.558 1.00 45.56 ? 59 LEU A CA 1 ATOM 482 C C . LEU A 1 64 ? 22.546 33.223 -4.039 1.00 44.26 ? 59 LEU A C 1 ATOM 483 O O . LEU A 1 64 ? 22.535 32.005 -4.201 1.00 42.42 ? 59 LEU A O 1 ATOM 484 C CB . LEU A 1 64 ? 20.129 33.623 -3.858 1.00 45.54 ? 59 LEU A CB 1 ATOM 485 C CG . LEU A 1 64 ? 18.893 34.538 -3.780 1.00 48.24 ? 59 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 64 ? 18.441 35.101 -5.127 1.00 49.48 ? 59 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 64 ? 17.752 33.785 -3.110 1.00 44.60 ? 59 LEU A CD2 1 ATOM 488 N N . ASP A 1 65 ? 23.523 33.857 -3.393 1.00 48.55 ? 60 ASP A N 1 ATOM 489 C CA . ASP A 1 65 ? 24.669 33.103 -2.869 1.00 47.35 ? 60 ASP A CA 1 ATOM 490 C C . ASP A 1 65 ? 24.322 32.170 -1.699 1.00 45.58 ? 60 ASP A C 1 ATOM 491 O O . ASP A 1 65 ? 23.692 32.575 -0.726 1.00 45.32 ? 60 ASP A O 1 ATOM 492 C CB . ASP A 1 65 ? 25.851 34.010 -2.513 1.00 48.21 ? 60 ASP A CB 1 ATOM 493 C CG . ASP A 1 65 ? 27.043 33.213 -2.042 1.00 50.22 ? 60 ASP A CG 1 ATOM 494 O OD1 . ASP A 1 65 ? 27.075 32.897 -0.833 1.00 54.84 ? 60 ASP A OD1 1 ATOM 495 O OD2 . ASP A 1 65 ? 27.899 32.834 -2.879 1.00 48.72 ? 60 ASP A OD2 1 ATOM 496 N N . LEU A 1 66 ? 24.769 30.925 -1.815 1.00 42.41 ? 61 LEU A N 1 ATOM 497 C CA . LEU A 1 66 ? 24.450 29.880 -0.864 1.00 41.33 ? 61 LEU A CA 1 ATOM 498 C C . LEU A 1 66 ? 24.676 30.180 0.608 1.00 42.31 ? 61 LEU A C 1 ATOM 499 O O . LEU A 1 66 ? 24.066 29.542 1.473 1.00 42.48 ? 61 LEU A O 1 ATOM 500 C CB . LEU A 1 66 ? 25.249 28.634 -1.192 1.00 40.47 ? 61 LEU A CB 1 ATOM 501 C CG . LEU A 1 66 ? 24.986 27.900 -2.488 1.00 39.01 ? 61 LEU A CG 1 ATOM 502 C CD1 . LEU A 1 66 ? 25.753 26.601 -2.375 1.00 40.63 ? 61 LEU A CD1 1 ATOM 503 C CD2 . LEU A 1 66 ? 23.509 27.644 -2.676 1.00 37.77 ? 61 LEU A CD2 1 ATOM 504 N N . ASP A 1 67 ? 25.567 31.111 0.905 1.00 41.67 ? 62 ASP A N 1 ATOM 505 C CA . ASP A 1 67 ? 25.912 31.333 2.291 1.00 47.14 ? 62 ASP A CA 1 ATOM 506 C C . ASP A 1 67 ? 25.357 32.634 2.846 1.00 44.59 ? 62 ASP A C 1 ATOM 507 O O . ASP A 1 67 ? 25.620 33.006 4.005 1.00 40.74 ? 62 ASP A O 1 ATOM 508 C CB . ASP A 1 67 ? 27.423 31.207 2.495 1.00 55.95 ? 62 ASP A CB 1 ATOM 509 C CG . ASP A 1 67 ? 27.807 29.979 3.333 1.00 66.02 ? 62 ASP A CG 1 ATOM 510 O OD1 . ASP A 1 67 ? 27.355 29.869 4.508 1.00 64.95 ? 62 ASP A OD1 1 ATOM 511 O OD2 . ASP A 1 67 ? 28.590 29.144 2.818 1.00 73.00 ? 62 ASP A OD2 1 ATOM 512 N N . ASP A 1 68 ? 24.571 33.300 2.005 1.00 43.66 ? 63 ASP A N 1 ATOM 513 C CA . ASP A 1 68 ? 23.935 34.569 2.329 1.00 44.24 ? 63 ASP A CA 1 ATOM 514 C C . ASP A 1 68 ? 22.716 34.319 3.173 1.00 44.72 ? 63 ASP A C 1 ATOM 515 O O . ASP A 1 68 ? 22.007 33.325 2.942 1.00 42.79 ? 63 ASP A O 1 ATOM 516 C CB . ASP A 1 68 ? 23.515 35.306 1.057 1.00 41.91 ? 63 ASP A CB 1 ATOM 517 C CG . ASP A 1 68 ? 24.605 36.202 0.512 1.00 42.26 ? 63 ASP A CG 1 ATOM 518 O OD1 . ASP A 1 68 ? 25.501 36.582 1.268 1.00 39.98 ? 63 ASP A OD1 1 ATOM 519 O OD2 . ASP A 1 68 ? 24.582 36.532 -0.687 1.00 48.43 ? 63 ASP A OD2 1 ATOM 520 N N . ILE A 1 69 ? 22.496 35.214 4.149 1.00 44.68 ? 64 ILE A N 1 ATOM 521 C CA . ILE A 1 69 ? 21.313 35.200 5.028 1.00 44.69 ? 64 ILE A CA 1 ATOM 522 C C . ILE A 1 69 ? 20.131 35.494 4.124 1.00 43.45 ? 64 ILE A C 1 ATOM 523 O O . ILE A 1 69 ? 20.275 36.266 3.187 1.00 44.05 ? 64 ILE A O 1 ATOM 524 C CB . ILE A 1 69 ? 21.378 36.333 6.081 1.00 44.36 ? 64 ILE A CB 1 ATOM 525 C CG1 . ILE A 1 69 ? 22.765 36.444 6.729 1.00 46.31 ? 64 ILE A CG1 1 ATOM 526 C CG2 . ILE A 1 69 ? 20.235 36.236 7.068 1.00 42.30 ? 64 ILE A CG2 1 ATOM 527 C CD1 . ILE A 1 69 ? 23.126 35.356 7.721 1.00 52.69 ? 64 ILE A CD1 1 ATOM 528 N N . LEU A 1 70 ? 18.962 34.928 4.385 1.00 41.83 ? 65 LEU A N 1 ATOM 529 C CA . LEU A 1 70 ? 17.874 35.113 3.421 1.00 42.21 ? 65 LEU A CA 1 ATOM 530 C C . LEU A 1 70 ? 17.256 36.529 3.367 1.00 41.33 ? 65 LEU A C 1 ATOM 531 O O . LEU A 1 70 ? 17.035 37.080 2.295 1.00 43.47 ? 65 LEU A O 1 ATOM 532 C CB . LEU A 1 70 ? 16.797 34.043 3.599 1.00 43.17 ? 65 LEU A CB 1 ATOM 533 C CG . LEU A 1 70 ? 15.620 34.062 2.625 1.00 43.09 ? 65 LEU A CG 1 ATOM 534 C CD1 . LEU A 1 70 ? 16.051 33.885 1.167 1.00 46.37 ? 65 LEU A CD1 1 ATOM 535 C CD2 . LEU A 1 70 ? 14.636 32.991 3.037 1.00 44.15 ? 65 LEU A CD2 1 ATOM 536 N N . CYS A 1 71 ? 16.984 37.115 4.515 1.00 40.54 ? 66 CYS A N 1 ATOM 537 C CA . CYS A 1 71 ? 16.280 38.375 4.537 1.00 40.03 ? 66 CYS A CA 1 ATOM 538 C C . CYS A 1 71 ? 17.171 39.487 3.993 1.00 39.20 ? 66 CYS A C 1 ATOM 539 O O . CYS A 1 71 ? 16.686 40.575 3.695 1.00 40.03 ? 66 CYS A O 1 ATOM 540 C CB . CYS A 1 71 ? 15.794 38.681 5.967 1.00 41.39 ? 66 CYS A CB 1 ATOM 541 S SG . CYS A 1 71 ? 17.134 38.676 7.191 1.00 49.24 ? 66 CYS A SG 1 ATOM 542 N N . ASP A 1 72 ? 18.474 39.226 3.883 1.00 39.77 ? 67 ASP A N 1 ATOM 543 C CA . ASP A 1 72 ? 19.405 40.220 3.328 1.00 43.07 ? 67 ASP A CA 1 ATOM 544 C C . ASP A 1 72 ? 19.373 40.159 1.792 1.00 45.45 ? 67 ASP A C 1 ATOM 545 O O . ASP A 1 72 ? 19.689 41.129 1.115 1.00 50.59 ? 67 ASP A O 1 ATOM 546 C CB . ASP A 1 72 ? 20.860 40.027 3.816 1.00 41.79 ? 67 ASP A CB 1 ATOM 547 C CG . ASP A 1 72 ? 21.041 40.177 5.351 1.00 45.77 ? 67 ASP A CG 1 ATOM 548 O OD1 . ASP A 1 72 ? 20.279 40.920 6.037 1.00 46.35 ? 67 ASP A OD1 1 ATOM 549 O OD2 . ASP A 1 72 ? 21.999 39.544 5.875 1.00 44.39 ? 67 ASP A OD2 1 ATOM 550 N N . VAL A 1 73 ? 18.988 39.013 1.251 1.00 46.49 ? 68 VAL A N 1 ATOM 551 C CA . VAL A 1 73 ? 19.110 38.746 -0.170 1.00 47.01 ? 68 VAL A CA 1 ATOM 552 C C . VAL A 1 73 ? 17.743 38.705 -0.850 1.00 51.80 ? 68 VAL A C 1 ATOM 553 O O . VAL A 1 73 ? 17.633 38.725 -2.092 1.00 52.99 ? 68 VAL A O 1 ATOM 554 C CB . VAL A 1 73 ? 19.873 37.441 -0.392 1.00 44.90 ? 68 VAL A CB 1 ATOM 555 C CG1 . VAL A 1 73 ? 20.096 37.195 -1.865 1.00 53.02 ? 68 VAL A CG1 1 ATOM 556 C CG2 . VAL A 1 73 ? 21.228 37.576 0.232 1.00 46.86 ? 68 VAL A CG2 1 ATOM 557 N N . ALA A 1 74 ? 16.694 38.671 -0.038 1.00 50.87 ? 69 ALA A N 1 ATOM 558 C CA . ALA A 1 74 ? 15.352 38.691 -0.573 1.00 50.64 ? 69 ALA A CA 1 ATOM 559 C C . ALA A 1 74 ? 14.392 39.380 0.390 1.00 47.65 ? 69 ALA A C 1 ATOM 560 O O . ALA A 1 74 ? 14.777 39.721 1.493 1.00 51.09 ? 69 ALA A O 1 ATOM 561 C CB . ALA A 1 74 ? 14.907 37.268 -0.895 1.00 53.03 ? 69 ALA A CB 1 ATOM 562 N N . ASP A 1 75 ? 13.149 39.584 -0.039 1.00 48.16 ? 70 ASP A N 1 ATOM 563 C CA . ASP A 1 75 ? 12.113 40.160 0.814 1.00 46.92 ? 70 ASP A CA 1 ATOM 564 C C . ASP A 1 75 ? 11.088 39.127 1.250 1.00 45.27 ? 70 ASP A C 1 ATOM 565 O O . ASP A 1 75 ? 11.006 38.028 0.677 1.00 40.33 ? 70 ASP A O 1 ATOM 566 C CB . ASP A 1 75 ? 11.415 41.321 0.113 1.00 51.44 ? 70 ASP A CB 1 ATOM 567 C CG . ASP A 1 75 ? 12.289 42.558 0.030 1.00 58.02 ? 70 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 75 ? 13.135 42.763 0.932 1.00 58.01 ? 70 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 75 ? 12.130 43.324 -0.944 1.00 58.96 ? 70 ASP A OD2 1 ATOM 570 N N . ASP A 1 76 ? 10.326 39.480 2.286 1.00 43.60 ? 71 ASP A N 1 ATOM 571 C CA . ASP A 1 76 ? 9.257 38.628 2.765 1.00 43.09 ? 71 ASP A CA 1 ATOM 572 C C . ASP A 1 76 ? 8.299 38.410 1.600 1.00 43.22 ? 71 ASP A C 1 ATOM 573 O O . ASP A 1 76 ? 7.932 39.351 0.891 1.00 40.49 ? 71 ASP A O 1 ATOM 574 C CB . ASP A 1 76 ? 8.543 39.246 3.979 1.00 41.46 ? 71 ASP A CB 1 ATOM 575 C CG . ASP A 1 76 ? 7.599 38.270 4.671 1.00 45.11 ? 71 ASP A CG 1 ATOM 576 O OD1 . ASP A 1 76 ? 7.555 37.078 4.320 1.00 51.36 ? 71 ASP A OD1 1 ATOM 577 O OD2 . ASP A 1 76 ? 6.895 38.676 5.598 1.00 49.65 ? 71 ASP A OD2 1 ATOM 578 N N . LYS A 1 77 ? 7.937 37.151 1.385 1.00 44.46 ? 72 LYS A N 1 ATOM 579 C CA . LYS A 1 77 ? 6.934 36.796 0.400 1.00 44.90 ? 72 LYS A CA 1 ATOM 580 C C . LYS A 1 77 ? 7.435 37.021 -1.027 1.00 43.62 ? 72 LYS A C 1 ATOM 581 O O . LYS A 1 77 ? 6.669 37.410 -1.883 1.00 44.47 ? 72 LYS A O 1 ATOM 582 C CB . LYS A 1 77 ? 5.644 37.599 0.641 1.00 46.12 ? 72 LYS A CB 1 ATOM 583 C CG . LYS A 1 77 ? 4.816 37.160 1.822 1.00 48.85 ? 72 LYS A CG 1 ATOM 584 C CD . LYS A 1 77 ? 3.571 38.010 1.991 1.00 52.03 ? 72 LYS A CD 1 ATOM 585 C CE . LYS A 1 77 ? 3.803 39.198 2.921 1.00 56.89 ? 72 LYS A CE 1 ATOM 586 N NZ . LYS A 1 77 ? 2.516 39.698 3.505 1.00 56.47 ? 72 LYS A NZ 1 ATOM 587 N N . ASP A 1 78 ? 8.718 36.786 -1.279 1.00 45.27 ? 73 ASP A N 1 ATOM 588 C CA . ASP A 1 78 ? 9.261 36.835 -2.644 1.00 43.57 ? 73 ASP A CA 1 ATOM 589 C C . ASP A 1 78 ? 9.098 35.481 -3.357 1.00 44.96 ? 73 ASP A C 1 ATOM 590 O O . ASP A 1 78 ? 9.333 34.404 -2.764 1.00 45.64 ? 73 ASP A O 1 ATOM 591 C CB . ASP A 1 78 ? 10.752 37.256 -2.664 1.00 44.56 ? 73 ASP A CB 1 ATOM 592 C CG . ASP A 1 78 ? 10.973 38.768 -2.448 1.00 44.73 ? 73 ASP A CG 1 ATOM 593 O OD1 . ASP A 1 78 ? 9.996 39.497 -2.162 1.00 51.52 ? 73 ASP A OD1 1 ATOM 594 O OD2 . ASP A 1 78 ? 12.133 39.228 -2.562 1.00 40.29 ? 73 ASP A OD2 1 ATOM 595 N N . ARG A 1 79 ? 8.679 35.548 -4.623 1.00 44.26 ? 74 ARG A N 1 ATOM 596 C CA . ARG A 1 79 ? 8.759 34.424 -5.557 1.00 45.56 ? 74 ARG A CA 1 ATOM 597 C C . ARG A 1 79 ? 10.222 34.224 -6.027 1.00 45.12 ? 74 ARG A C 1 ATOM 598 O O . ARG A 1 79 ? 10.909 35.184 -6.442 1.00 44.42 ? 74 ARG A O 1 ATOM 599 C CB . ARG A 1 79 ? 7.840 34.682 -6.749 1.00 50.40 ? 74 ARG A CB 1 ATOM 600 C CG . ARG A 1 79 ? 8.102 33.828 -7.985 1.00 53.16 ? 74 ARG A CG 1 ATOM 601 C CD . ARG A 1 79 ? 7.151 34.221 -9.095 1.00 57.28 ? 74 ARG A CD 1 ATOM 602 N NE . ARG A 1 79 ? 5.762 33.750 -8.915 1.00 58.32 ? 74 ARG A NE 1 ATOM 603 C CZ . ARG A 1 79 ? 4.723 34.488 -8.501 1.00 51.33 ? 74 ARG A CZ 1 ATOM 604 N NH1 . ARG A 1 79 ? 4.876 35.754 -8.153 1.00 52.47 ? 74 ARG A NH1 1 ATOM 605 N NH2 . ARG A 1 79 ? 3.521 33.949 -8.420 1.00 48.22 ? 74 ARG A NH2 1 ATOM 606 N N . LEU A 1 80 ? 10.693 32.979 -5.920 1.00 42.20 ? 75 LEU A N 1 ATOM 607 C CA . LEU A 1 80 ? 12.083 32.620 -6.234 1.00 41.15 ? 75 LEU A CA 1 ATOM 608 C C . LEU A 1 80 ? 12.017 31.376 -7.074 1.00 40.48 ? 75 LEU A C 1 ATOM 609 O O . LEU A 1 80 ? 11.206 30.498 -6.787 1.00 40.88 ? 75 LEU A O 1 ATOM 610 C CB . LEU A 1 80 ? 12.932 32.334 -4.966 1.00 39.85 ? 75 LEU A CB 1 ATOM 611 C CG . LEU A 1 80 ? 12.946 33.252 -3.727 1.00 37.78 ? 75 LEU A CG 1 ATOM 612 C CD1 . LEU A 1 80 ? 13.556 32.519 -2.557 1.00 35.84 ? 75 LEU A CD1 1 ATOM 613 C CD2 . LEU A 1 80 ? 13.667 34.580 -3.960 1.00 38.95 ? 75 LEU A CD2 1 ATOM 614 N N . VAL A 1 81 ? 12.860 31.312 -8.103 1.00 40.55 ? 76 VAL A N 1 ATOM 615 C CA . VAL A 1 81 ? 12.911 30.162 -9.006 1.00 43.45 ? 76 VAL A CA 1 ATOM 616 C C . VAL A 1 81 ? 14.087 29.230 -8.658 1.00 47.77 ? 76 VAL A C 1 ATOM 617 O O . VAL A 1 81 ? 15.173 29.683 -8.284 1.00 51.66 ? 76 VAL A O 1 ATOM 618 C CB . VAL A 1 81 ? 12.971 30.579 -10.494 1.00 40.57 ? 76 VAL A CB 1 ATOM 619 C CG1 . VAL A 1 81 ? 12.540 32.032 -10.671 1.00 41.74 ? 76 VAL A CG1 1 ATOM 620 C CG2 . VAL A 1 81 ? 14.356 30.390 -11.052 1.00 38.12 ? 76 VAL A CG2 1 ATOM 621 N N . ALA A 1 82 ? 13.866 27.923 -8.747 1.00 49.17 ? 77 ALA A N 1 ATOM 622 C CA . ALA A 1 82 ? 14.971 26.982 -8.579 1.00 48.11 ? 77 ALA A CA 1 ATOM 623 C C . ALA A 1 82 ? 15.442 26.455 -9.961 1.00 45.80 ? 77 ALA A C 1 ATOM 624 O O . ALA A 1 82 ? 14.638 26.165 -10.859 1.00 45.86 ? 77 ALA A O 1 ATOM 625 C CB . ALA A 1 82 ? 14.584 25.854 -7.613 1.00 43.78 ? 77 ALA A CB 1 ATOM 626 N N . VAL A 1 83 ? 16.750 26.393 -10.136 1.00 44.87 ? 78 VAL A N 1 ATOM 627 C CA . VAL A 1 83 ? 17.350 25.792 -11.322 1.00 45.05 ? 78 VAL A CA 1 ATOM 628 C C . VAL A 1 83 ? 17.834 24.419 -10.818 1.00 48.36 ? 78 VAL A C 1 ATOM 629 O O . VAL A 1 83 ? 18.677 24.327 -9.897 1.00 46.37 ? 78 VAL A O 1 ATOM 630 C CB . VAL A 1 83 ? 18.476 26.714 -11.875 1.00 40.18 ? 78 VAL A CB 1 ATOM 631 C CG1 . VAL A 1 83 ? 19.462 25.959 -12.749 1.00 36.07 ? 78 VAL A CG1 1 ATOM 632 C CG2 . VAL A 1 83 ? 17.870 27.903 -12.607 1.00 37.94 ? 78 VAL A CG2 1 ATOM 633 N N . PHE A 1 84 ? 17.257 23.349 -11.365 1.00 49.55 ? 79 PHE A N 1 ATOM 634 C CA . PHE A 1 84 ? 17.389 22.024 -10.719 1.00 49.25 ? 79 PHE A CA 1 ATOM 635 C C . PHE A 1 84 ? 17.256 20.924 -11.740 1.00 48.26 ? 79 PHE A C 1 ATOM 636 O O . PHE A 1 84 ? 16.812 21.178 -12.844 1.00 45.26 ? 79 PHE A O 1 ATOM 637 C CB . PHE A 1 84 ? 16.298 21.818 -9.633 1.00 44.10 ? 79 PHE A CB 1 ATOM 638 C CG . PHE A 1 84 ? 14.880 21.722 -10.195 1.00 43.39 ? 79 PHE A CG 1 ATOM 639 C CD1 . PHE A 1 84 ? 14.164 22.873 -10.562 1.00 40.85 ? 79 PHE A CD1 1 ATOM 640 C CD2 . PHE A 1 84 ? 14.259 20.484 -10.377 1.00 43.22 ? 79 PHE A CD2 1 ATOM 641 C CE1 . PHE A 1 84 ? 12.869 22.789 -11.079 1.00 39.58 ? 79 PHE A CE1 1 ATOM 642 C CE2 . PHE A 1 84 ? 12.963 20.399 -10.902 1.00 41.20 ? 79 PHE A CE2 1 ATOM 643 C CZ . PHE A 1 84 ? 12.266 21.551 -11.251 1.00 39.65 ? 79 PHE A CZ 1 ATOM 644 N N . ASP A 1 85 ? 17.624 19.707 -11.331 1.00 57.16 ? 80 ASP A N 1 ATOM 645 C CA . ASP A 1 85 ? 17.281 18.454 -12.025 1.00 58.83 ? 80 ASP A CA 1 ATOM 646 C C . ASP A 1 85 ? 16.570 17.456 -11.073 1.00 59.42 ? 80 ASP A C 1 ATOM 647 O O . ASP A 1 85 ? 16.646 17.593 -9.838 1.00 49.28 ? 80 ASP A O 1 ATOM 648 C CB . ASP A 1 85 ? 18.524 17.789 -12.635 1.00 61.07 ? 80 ASP A CB 1 ATOM 649 C CG . ASP A 1 85 ? 19.332 18.728 -13.542 1.00 64.18 ? 80 ASP A CG 1 ATOM 650 O OD1 . ASP A 1 85 ? 19.126 19.966 -13.501 1.00 64.13 ? 80 ASP A OD1 1 ATOM 651 O OD2 . ASP A 1 85 ? 20.209 18.218 -14.284 1.00 59.08 ? 80 ASP A OD2 1 ATOM 652 N N . GLU A 1 86 ? 15.906 16.451 -11.672 1.00 64.44 ? 81 GLU A N 1 ATOM 653 C CA . GLU A 1 86 ? 15.038 15.482 -10.959 1.00 63.12 ? 81 GLU A CA 1 ATOM 654 C C . GLU A 1 86 ? 14.789 14.162 -11.722 1.00 60.61 ? 81 GLU A C 1 ATOM 655 O O . GLU A 1 86 ? 15.216 14.016 -12.888 1.00 57.35 ? 81 GLU A O 1 ATOM 656 C CB . GLU A 1 86 ? 13.680 16.122 -10.635 1.00 61.20 ? 81 GLU A CB 1 ATOM 657 C CG . GLU A 1 86 ? 12.704 16.065 -11.804 1.00 58.47 ? 81 GLU A CG 1 ATOM 658 C CD . GLU A 1 86 ? 11.468 16.929 -11.652 1.00 56.10 ? 81 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 86 ? 11.407 17.795 -10.777 1.00 57.00 ? 81 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 86 ? 10.534 16.745 -12.439 1.00 63.43 ? 81 GLU A OE2 1 ATOM 661 N N . GLN A 1 87 ? 14.085 13.244 -11.032 1.00 58.23 ? 82 GLN A N 1 ATOM 662 C CA . GLN A 1 87 ? 13.572 11.933 -11.525 1.00 62.95 ? 82 GLN A CA 1 ATOM 663 C C . GLN A 1 87 ? 14.172 10.675 -10.862 1.00 58.75 ? 82 GLN A C 1 ATOM 664 O O . GLN A 1 87 ? 13.617 9.568 -10.963 1.00 50.28 ? 82 GLN A O 1 ATOM 665 C CB . GLN A 1 87 ? 13.618 11.805 -13.054 1.00 62.28 ? 82 GLN A CB 1 ATOM 666 C CG . GLN A 1 87 ? 12.357 12.328 -13.708 1.00 65.52 ? 82 GLN A CG 1 ATOM 667 C CD . GLN A 1 87 ? 11.909 11.476 -14.883 1.00 68.04 ? 82 GLN A CD 1 ATOM 668 O OE1 . GLN A 1 87 ? 12.731 10.885 -15.600 1.00 68.83 ? 82 GLN A OE1 1 ATOM 669 N NE2 . GLN A 1 87 ? 10.596 11.408 -15.087 1.00 58.50 ? 82 GLN A NE2 1 ATOM 670 N N . GLU B 1 5 ? -8.269 35.398 17.104 1.00 50.23 ? 0 GLU B N 1 ATOM 671 C CA . GLU B 1 5 ? -9.267 35.863 16.093 1.00 49.27 ? 0 GLU B CA 1 ATOM 672 C C . GLU B 1 5 ? -8.826 35.722 14.605 1.00 49.43 ? 0 GLU B C 1 ATOM 673 O O . GLU B 1 5 ? -9.506 36.208 13.705 1.00 50.96 ? 0 GLU B O 1 ATOM 674 C CB . GLU B 1 5 ? -9.772 37.269 16.449 1.00 52.25 ? 0 GLU B CB 1 ATOM 675 C CG . GLU B 1 5 ? -10.752 37.249 17.642 1.00 58.06 ? 0 GLU B CG 1 ATOM 676 C CD . GLU B 1 5 ? -11.338 38.618 18.063 1.00 57.26 ? 0 GLU B CD 1 ATOM 677 O OE1 . GLU B 1 5 ? -10.633 39.663 17.996 1.00 50.47 ? 0 GLU B OE1 1 ATOM 678 O OE2 . GLU B 1 5 ? -12.522 38.632 18.489 1.00 52.81 ? 0 GLU B OE2 1 ATOM 679 N N . PHE B 1 6 ? -7.714 35.024 14.364 1.00 46.58 ? 1 PHE B N 1 ATOM 680 C CA . PHE B 1 6 ? -7.223 34.680 13.017 1.00 44.89 ? 1 PHE B CA 1 ATOM 681 C C . PHE B 1 6 ? -8.293 33.933 12.177 1.00 43.25 ? 1 PHE B C 1 ATOM 682 O O . PHE B 1 6 ? -9.097 33.140 12.724 1.00 40.22 ? 1 PHE B O 1 ATOM 683 C CB . PHE B 1 6 ? -5.931 33.834 13.170 1.00 47.49 ? 1 PHE B CB 1 ATOM 684 C CG . PHE B 1 6 ? -5.089 33.685 11.895 1.00 50.28 ? 1 PHE B CG 1 ATOM 685 C CD1 . PHE B 1 6 ? -5.550 32.945 10.782 1.00 46.96 ? 1 PHE B CD1 1 ATOM 686 C CD2 . PHE B 1 6 ? -3.795 34.227 11.834 1.00 47.61 ? 1 PHE B CD2 1 ATOM 687 C CE1 . PHE B 1 6 ? -4.763 32.797 9.655 1.00 42.12 ? 1 PHE B CE1 1 ATOM 688 C CE2 . PHE B 1 6 ? -3.014 34.079 10.702 1.00 44.19 ? 1 PHE B CE2 1 ATOM 689 C CZ . PHE B 1 6 ? -3.500 33.369 9.615 1.00 44.32 ? 1 PHE B CZ 1 ATOM 690 N N . LYS B 1 7 ? -8.287 34.195 10.857 1.00 39.76 ? 2 LYS B N 1 ATOM 691 C CA . LYS B 1 7 ? -9.268 33.624 9.898 1.00 38.83 ? 2 LYS B CA 1 ATOM 692 C C . LYS B 1 7 ? -8.841 33.712 8.454 1.00 36.40 ? 2 LYS B C 1 ATOM 693 O O . LYS B 1 7 ? -8.099 34.615 8.072 1.00 38.35 ? 2 LYS B O 1 ATOM 694 C CB . LYS B 1 7 ? -10.633 34.332 9.997 1.00 41.69 ? 2 LYS B CB 1 ATOM 695 C CG . LYS B 1 7 ? -10.621 35.822 9.658 1.00 45.95 ? 2 LYS B CG 1 ATOM 696 C CD . LYS B 1 7 ? -12.013 36.363 9.383 1.00 51.14 ? 2 LYS B CD 1 ATOM 697 C CE . LYS B 1 7 ? -12.012 37.840 8.986 1.00 56.15 ? 2 LYS B CE 1 ATOM 698 N NZ . LYS B 1 7 ? -12.043 38.776 10.154 1.00 60.07 ? 2 LYS B NZ 1 ATOM 699 N N . VAL B 1 8 ? -9.383 32.820 7.634 1.00 34.88 ? 3 VAL B N 1 ATOM 700 C CA . VAL B 1 8 ? -9.093 32.785 6.195 1.00 33.86 ? 3 VAL B CA 1 ATOM 701 C C . VAL B 1 8 ? -10.328 32.441 5.340 1.00 36.67 ? 3 VAL B C 1 ATOM 702 O O . VAL B 1 8 ? -11.262 31.789 5.810 1.00 36.48 ? 3 VAL B O 1 ATOM 703 C CB . VAL B 1 8 ? -8.003 31.751 5.890 1.00 31.85 ? 3 VAL B CB 1 ATOM 704 C CG1 . VAL B 1 8 ? -6.646 32.228 6.360 1.00 28.95 ? 3 VAL B CG1 1 ATOM 705 C CG2 . VAL B 1 8 ? -8.336 30.402 6.520 1.00 32.53 ? 3 VAL B CG2 1 ATOM 706 N N . THR B 1 9 ? -10.344 32.875 4.083 1.00 39.84 ? 4 THR B N 1 ATOM 707 C CA . THR B 1 9 ? -11.354 32.366 3.146 1.00 44.01 ? 4 THR B CA 1 ATOM 708 C C . THR B 1 9 ? -10.792 31.238 2.301 1.00 48.04 ? 4 THR B C 1 ATOM 709 O O . THR B 1 9 ? -9.656 31.324 1.826 1.00 54.37 ? 4 THR B O 1 ATOM 710 C CB . THR B 1 9 ? -11.836 33.437 2.176 1.00 45.27 ? 4 THR B CB 1 ATOM 711 O OG1 . THR B 1 9 ? -12.269 34.564 2.928 1.00 47.07 ? 4 THR B OG1 1 ATOM 712 C CG2 . THR B 1 9 ? -13.005 32.906 1.300 1.00 46.02 ? 4 THR B CG2 1 ATOM 713 N N . VAL B 1 10 ? -11.589 30.191 2.098 1.00 46.34 ? 5 VAL B N 1 ATOM 714 C CA . VAL B 1 10 ? -11.175 29.072 1.250 1.00 46.39 ? 5 VAL B CA 1 ATOM 715 C C . VAL B 1 10 ? -12.050 29.006 -0.020 1.00 45.09 ? 5 VAL B C 1 ATOM 716 O O . VAL B 1 10 ? -13.257 29.172 0.064 1.00 47.25 ? 5 VAL B O 1 ATOM 717 C CB . VAL B 1 10 ? -11.142 27.747 2.059 1.00 42.74 ? 5 VAL B CB 1 ATOM 718 C CG1 . VAL B 1 10 ? -10.906 26.557 1.145 1.00 43.00 ? 5 VAL B CG1 1 ATOM 719 C CG2 . VAL B 1 10 ? -10.056 27.796 3.131 1.00 39.78 ? 5 VAL B CG2 1 ATOM 720 N N . CYS B 1 11 ? -11.447 28.790 -1.187 1.00 44.31 ? 6 CYS B N 1 ATOM 721 C CA . CYS B 1 11 ? -12.221 28.769 -2.435 1.00 46.80 ? 6 CYS B CA 1 ATOM 722 C C . CYS B 1 11 ? -12.478 27.393 -3.006 1.00 46.86 ? 6 CYS B C 1 ATOM 723 O O . CYS B 1 11 ? -11.566 26.723 -3.476 1.00 53.98 ? 6 CYS B O 1 ATOM 724 C CB . CYS B 1 11 ? -11.577 29.648 -3.490 1.00 49.26 ? 6 CYS B CB 1 ATOM 725 S SG . CYS B 1 11 ? -11.741 31.375 -3.018 1.00 64.13 ? 6 CYS B SG 1 ATOM 726 N N . PHE B 1 12 ? -13.731 26.976 -2.964 1.00 43.05 ? 7 PHE B N 1 ATOM 727 C CA . PHE B 1 12 ? -14.130 25.753 -3.603 1.00 43.52 ? 7 PHE B CA 1 ATOM 728 C C . PHE B 1 12 ? -14.852 26.133 -4.876 1.00 48.79 ? 7 PHE B C 1 ATOM 729 O O . PHE B 1 12 ? -16.075 26.292 -4.903 1.00 55.56 ? 7 PHE B O 1 ATOM 730 C CB . PHE B 1 12 ? -15.066 24.981 -2.709 1.00 42.23 ? 7 PHE B CB 1 ATOM 731 C CG . PHE B 1 12 ? -14.428 24.475 -1.447 1.00 43.21 ? 7 PHE B CG 1 ATOM 732 C CD1 . PHE B 1 12 ? -13.715 23.288 -1.439 1.00 41.01 ? 7 PHE B CD1 1 ATOM 733 C CD2 . PHE B 1 12 ? -14.569 25.172 -0.243 1.00 42.92 ? 7 PHE B CD2 1 ATOM 734 C CE1 . PHE B 1 12 ? -13.150 22.824 -0.255 1.00 45.37 ? 7 PHE B CE1 1 ATOM 735 C CE2 . PHE B 1 12 ? -14.006 24.700 0.943 1.00 40.96 ? 7 PHE B CE2 1 ATOM 736 C CZ . PHE B 1 12 ? -13.290 23.529 0.942 1.00 39.66 ? 7 PHE B CZ 1 ATOM 737 N N . GLY B 1 13 ? -14.095 26.295 -5.946 1.00 49.49 ? 8 GLY B N 1 ATOM 738 C CA . GLY B 1 13 ? -14.693 26.759 -7.168 1.00 44.50 ? 8 GLY B CA 1 ATOM 739 C C . GLY B 1 13 ? -15.089 28.144 -6.821 1.00 45.55 ? 8 GLY B C 1 ATOM 740 O O . GLY B 1 13 ? -14.276 28.901 -6.297 1.00 45.92 ? 8 GLY B O 1 ATOM 741 N N . ARG B 1 14 ? -16.346 28.468 -7.063 1.00 51.54 ? 9 ARG B N 1 ATOM 742 C CA . ARG B 1 14 ? -16.764 29.873 -7.015 1.00 55.15 ? 9 ARG B CA 1 ATOM 743 C C . ARG B 1 14 ? -17.336 30.219 -5.658 1.00 52.47 ? 9 ARG B C 1 ATOM 744 O O . ARG B 1 14 ? -17.458 31.403 -5.296 1.00 53.12 ? 9 ARG B O 1 ATOM 745 C CB . ARG B 1 14 ? -17.713 30.209 -8.183 1.00 59.36 ? 9 ARG B CB 1 ATOM 746 C CG . ARG B 1 14 ? -17.006 30.074 -9.532 1.00 73.23 ? 9 ARG B CG 1 ATOM 747 C CD . ARG B 1 14 ? -17.900 29.843 -10.761 1.00 85.86 ? 9 ARG B CD 1 ATOM 748 N NE . ARG B 1 14 ? -18.811 28.674 -10.736 1.00 89.75 ? 9 ARG B NE 1 ATOM 749 C CZ . ARG B 1 14 ? -18.463 27.382 -10.638 1.00 86.97 ? 9 ARG B CZ 1 ATOM 750 N NH1 . ARG B 1 14 ? -17.197 26.991 -10.499 1.00 79.41 ? 9 ARG B NH1 1 ATOM 751 N NH2 . ARG B 1 14 ? -19.413 26.462 -10.646 1.00 87.50 ? 9 ARG B NH2 1 ATOM 752 N N . THR B 1 15 ? -17.661 29.172 -4.907 1.00 49.87 ? 10 THR B N 1 ATOM 753 C CA . THR B 1 15 ? -18.149 29.315 -3.549 1.00 54.18 ? 10 THR B CA 1 ATOM 754 C C . THR B 1 15 ? -16.980 29.628 -2.612 1.00 56.08 ? 10 THR B C 1 ATOM 755 O O . THR B 1 15 ? -15.976 28.901 -2.576 1.00 56.55 ? 10 THR B O 1 ATOM 756 C CB . THR B 1 15 ? -18.840 28.043 -3.026 1.00 58.67 ? 10 THR B CB 1 ATOM 757 O OG1 . THR B 1 15 ? -18.922 27.045 -4.059 1.00 66.83 ? 10 THR B OG1 1 ATOM 758 C CG2 . THR B 1 15 ? -20.223 28.383 -2.513 1.00 59.73 ? 10 THR B CG2 1 ATOM 759 N N . ARG B 1 16 ? -17.112 30.723 -1.872 1.00 50.67 ? 11 ARG B N 1 ATOM 760 C CA . ARG B 1 16 ? -16.102 31.119 -0.924 1.00 47.77 ? 11 ARG B CA 1 ATOM 761 C C . ARG B 1 16 ? -16.657 30.928 0.470 1.00 45.84 ? 11 ARG B C 1 ATOM 762 O O . ARG B 1 16 ? -17.749 31.392 0.781 1.00 49.36 ? 11 ARG B O 1 ATOM 763 C CB . ARG B 1 16 ? -15.700 32.571 -1.158 1.00 45.48 ? 11 ARG B CB 1 ATOM 764 C CG . ARG B 1 16 ? -14.895 32.764 -2.419 1.00 44.44 ? 11 ARG B CG 1 ATOM 765 C CD . ARG B 1 16 ? -14.760 34.229 -2.764 1.00 45.72 ? 11 ARG B CD 1 ATOM 766 N NE . ARG B 1 16 ? -13.978 34.398 -3.987 1.00 52.10 ? 11 ARG B NE 1 ATOM 767 C CZ . ARG B 1 16 ? -13.730 35.570 -4.570 1.00 57.32 ? 11 ARG B CZ 1 ATOM 768 N NH1 . ARG B 1 16 ? -14.219 36.698 -4.058 1.00 62.11 ? 11 ARG B NH1 1 ATOM 769 N NH2 . ARG B 1 16 ? -12.994 35.620 -5.672 1.00 55.86 ? 11 ARG B NH2 1 ATOM 770 N N . VAL B 1 17 ? -15.912 30.238 1.312 1.00 42.29 ? 12 VAL B N 1 ATOM 771 C CA . VAL B 1 17 ? -16.347 30.034 2.681 1.00 43.01 ? 12 VAL B CA 1 ATOM 772 C C . VAL B 1 17 ? -15.316 30.629 3.669 1.00 41.59 ? 12 VAL B C 1 ATOM 773 O O . VAL B 1 17 ? -14.117 30.561 3.427 1.00 45.25 ? 12 VAL B O 1 ATOM 774 C CB . VAL B 1 17 ? -16.701 28.535 2.923 1.00 42.07 ? 12 VAL B CB 1 ATOM 775 C CG1 . VAL B 1 17 ? -15.457 27.711 3.190 1.00 42.52 ? 12 VAL B CG1 1 ATOM 776 C CG2 . VAL B 1 17 ? -17.702 28.367 4.056 1.00 44.73 ? 12 VAL B CG2 1 ATOM 777 N N . VAL B 1 18 ? -15.799 31.241 4.748 1.00 39.23 ? 13 VAL B N 1 ATOM 778 C CA . VAL B 1 18 ? -14.945 31.835 5.786 1.00 40.57 ? 13 VAL B CA 1 ATOM 779 C C . VAL B 1 18 ? -14.770 30.889 6.964 1.00 39.97 ? 13 VAL B C 1 ATOM 780 O O . VAL B 1 18 ? -15.751 30.565 7.647 1.00 45.48 ? 13 VAL B O 1 ATOM 781 C CB . VAL B 1 18 ? -15.598 33.104 6.378 1.00 42.13 ? 13 VAL B CB 1 ATOM 782 C CG1 . VAL B 1 18 ? -14.601 33.910 7.224 1.00 35.84 ? 13 VAL B CG1 1 ATOM 783 C CG2 . VAL B 1 18 ? -16.288 33.923 5.276 1.00 42.45 ? 13 VAL B CG2 1 ATOM 784 N N . VAL B 1 19 ? -13.523 30.510 7.226 1.00 40.08 ? 14 VAL B N 1 ATOM 785 C CA . VAL B 1 19 ? -13.125 29.657 8.375 1.00 39.47 ? 14 VAL B CA 1 ATOM 786 C C . VAL B 1 19 ? -12.351 30.418 9.441 1.00 36.14 ? 14 VAL B C 1 ATOM 787 O O . VAL B 1 19 ? -11.324 31.019 9.127 1.00 31.20 ? 14 VAL B O 1 ATOM 788 C CB . VAL B 1 19 ? -12.128 28.570 7.936 1.00 40.06 ? 14 VAL B CB 1 ATOM 789 C CG1 . VAL B 1 19 ? -11.876 27.581 9.076 1.00 36.31 ? 14 VAL B CG1 1 ATOM 790 C CG2 . VAL B 1 19 ? -12.585 27.913 6.630 1.00 38.23 ? 14 VAL B CG2 1 ATOM 791 N N . PRO B 1 20 ? -12.806 30.349 10.704 1.00 38.91 ? 15 PRO B N 1 ATOM 792 C CA . PRO B 1 20 ? -12.053 30.859 11.886 1.00 41.41 ? 15 PRO B CA 1 ATOM 793 C C . PRO B 1 20 ? -10.915 29.933 12.315 1.00 38.12 ? 15 PRO B C 1 ATOM 794 O O . PRO B 1 20 ? -11.064 28.708 12.260 1.00 34.88 ? 15 PRO B O 1 ATOM 795 C CB . PRO B 1 20 ? -13.111 30.896 12.997 1.00 42.63 ? 15 PRO B CB 1 ATOM 796 C CG . PRO B 1 20 ? -14.104 29.853 12.606 1.00 41.29 ? 15 PRO B CG 1 ATOM 797 C CD . PRO B 1 20 ? -14.110 29.781 11.085 1.00 40.27 ? 15 PRO B CD 1 ATOM 798 N N . CYS B 1 21 ? -9.805 30.501 12.762 1.00 39.48 ? 16 CYS B N 1 ATOM 799 C CA . CYS B 1 21 ? -8.675 29.646 13.132 1.00 46.91 ? 16 CYS B CA 1 ATOM 800 C C . CYS B 1 21 ? -8.123 29.738 14.559 1.00 47.86 ? 16 CYS B C 1 ATOM 801 O O . CYS B 1 21 ? -7.098 29.122 14.863 1.00 46.88 ? 16 CYS B O 1 ATOM 802 C CB . CYS B 1 21 ? -7.550 29.865 12.149 1.00 51.13 ? 16 CYS B CB 1 ATOM 803 S SG . CYS B 1 21 ? -8.089 29.553 10.460 1.00 61.77 ? 16 CYS B SG 1 ATOM 804 N N . GLY B 1 22 ? -8.804 30.482 15.427 1.00 46.86 ? 17 GLY B N 1 ATOM 805 C CA . GLY B 1 22 ? -8.264 30.787 16.728 1.00 48.69 ? 17 GLY B CA 1 ATOM 806 C C . GLY B 1 22 ? -7.082 31.710 16.555 1.00 52.40 ? 17 GLY B C 1 ATOM 807 O O . GLY B 1 22 ? -7.262 32.870 16.190 1.00 54.50 ? 17 GLY B O 1 ATOM 808 N N . ASP B 1 23 ? -5.875 31.203 16.807 1.00 55.45 ? 18 ASP B N 1 ATOM 809 C CA . ASP B 1 23 ? -4.649 31.998 16.608 1.00 59.58 ? 18 ASP B CA 1 ATOM 810 C C . ASP B 1 23 ? -3.920 31.744 15.272 1.00 64.03 ? 18 ASP B C 1 ATOM 811 O O . ASP B 1 23 ? -2.992 32.476 14.939 1.00 73.19 ? 18 ASP B O 1 ATOM 812 C CB . ASP B 1 23 ? -3.664 31.905 17.800 1.00 57.30 ? 18 ASP B CB 1 ATOM 813 C CG . ASP B 1 23 ? -3.872 30.665 18.651 1.00 60.77 ? 18 ASP B CG 1 ATOM 814 O OD1 . ASP B 1 23 ? -5.034 30.228 18.798 1.00 63.60 ? 18 ASP B OD1 1 ATOM 815 O OD2 . ASP B 1 23 ? -2.878 30.128 19.192 1.00 61.26 ? 18 ASP B OD2 1 ATOM 816 N N . GLY B 1 24 ? -4.342 30.732 14.510 1.00 59.90 ? 19 GLY B N 1 ATOM 817 C CA . GLY B 1 24 ? -3.653 30.362 13.271 1.00 54.37 ? 19 GLY B CA 1 ATOM 818 C C . GLY B 1 24 ? -2.525 29.354 13.438 1.00 52.46 ? 19 GLY B C 1 ATOM 819 O O . GLY B 1 24 ? -1.749 29.126 12.509 1.00 48.73 ? 19 GLY B O 1 ATOM 820 N N . ARG B 1 25 ? -2.464 28.741 14.621 1.00 55.59 ? 20 ARG B N 1 ATOM 821 C CA . ARG B 1 25 ? -1.413 27.796 14.997 1.00 56.37 ? 20 ARG B CA 1 ATOM 822 C C . ARG B 1 25 ? -1.801 26.352 14.658 1.00 53.64 ? 20 ARG B C 1 ATOM 823 O O . ARG B 1 25 ? -1.036 25.418 14.873 1.00 50.46 ? 20 ARG B O 1 ATOM 824 C CB . ARG B 1 25 ? -1.068 27.949 16.484 1.00 66.11 ? 20 ARG B CB 1 ATOM 825 C CG . ARG B 1 25 ? -0.529 29.331 16.875 1.00 75.01 ? 20 ARG B CG 1 ATOM 826 C CD . ARG B 1 25 ? 0.995 29.370 16.958 1.00 84.03 ? 20 ARG B CD 1 ATOM 827 N NE . ARG B 1 25 ? 1.526 28.349 17.871 1.00 95.09 ? 20 ARG B NE 1 ATOM 828 C CZ . ARG B 1 25 ? 1.750 28.528 19.174 1.00 101.03 ? 20 ARG B CZ 1 ATOM 829 N NH1 . ARG B 1 25 ? 1.504 29.702 19.749 1.00 92.36 ? 20 ARG B NH1 1 ATOM 830 N NH2 . ARG B 1 25 ? 2.227 27.526 19.909 1.00 102.86 ? 20 ARG B NH2 1 ATOM 831 N N . MET B 1 26 ? -2.983 26.181 14.084 1.00 53.59 ? 21 MET B N 1 ATOM 832 C CA . MET B 1 26 ? -3.394 24.889 13.537 1.00 50.90 ? 21 MET B CA 1 ATOM 833 C C . MET B 1 26 ? -2.706 24.504 12.216 1.00 49.05 ? 21 MET B C 1 ATOM 834 O O . MET B 1 26 ? -2.385 25.369 11.399 1.00 49.03 ? 21 MET B O 1 ATOM 835 C CB . MET B 1 26 ? -4.891 24.905 13.323 1.00 51.22 ? 21 MET B CB 1 ATOM 836 C CG . MET B 1 26 ? -5.398 25.932 12.331 1.00 50.27 ? 21 MET B CG 1 ATOM 837 S SD . MET B 1 26 ? -6.972 25.263 11.751 1.00 62.85 ? 21 MET B SD 1 ATOM 838 C CE . MET B 1 26 ? -7.235 26.252 10.301 1.00 55.39 ? 21 MET B CE 1 ATOM 839 N N . LYS B 1 27 ? -2.510 23.204 11.999 1.00 46.38 ? 22 LYS B N 1 ATOM 840 C CA . LYS B 1 27 ? -1.910 22.714 10.757 1.00 47.03 ? 22 LYS B CA 1 ATOM 841 C C . LYS B 1 27 ? -2.746 23.019 9.499 1.00 46.78 ? 22 LYS B C 1 ATOM 842 O O . LYS B 1 27 ? -3.959 23.271 9.582 1.00 43.28 ? 22 LYS B O 1 ATOM 843 C CB . LYS B 1 27 ? -1.650 21.215 10.837 1.00 47.71 ? 22 LYS B CB 1 ATOM 844 C CG . LYS B 1 27 ? -0.246 20.862 11.255 1.00 50.50 ? 22 LYS B CG 1 ATOM 845 C CD . LYS B 1 27 ? -0.144 20.643 12.759 1.00 56.63 ? 22 LYS B CD 1 ATOM 846 C CE . LYS B 1 27 ? 1.255 20.982 13.283 1.00 55.88 ? 22 LYS B CE 1 ATOM 847 N NZ . LYS B 1 27 ? 2.348 20.343 12.489 1.00 57.52 ? 22 LYS B NZ 1 ATOM 848 N N . VAL B 1 28 ? -2.084 22.972 8.338 1.00 44.26 ? 23 VAL B N 1 ATOM 849 C CA . VAL B 1 28 ? -2.745 23.190 7.051 1.00 41.55 ? 23 VAL B CA 1 ATOM 850 C C . VAL B 1 28 ? -3.779 22.059 6.835 1.00 41.47 ? 23 VAL B C 1 ATOM 851 O O . VAL B 1 28 ? -4.853 22.277 6.298 1.00 41.13 ? 23 VAL B O 1 ATOM 852 C CB . VAL B 1 28 ? -1.713 23.428 5.880 1.00 40.35 ? 23 VAL B CB 1 ATOM 853 C CG1 . VAL B 1 28 ? -2.376 23.497 4.516 1.00 39.88 ? 23 VAL B CG1 1 ATOM 854 C CG2 . VAL B 1 28 ? -0.929 24.725 6.073 1.00 38.37 ? 23 VAL B CG2 1 ATOM 855 N N . PHE B 1 29 ? -3.508 20.857 7.312 1.00 46.62 ? 24 PHE B N 1 ATOM 856 C CA . PHE B 1 29 ? -4.540 19.828 7.193 1.00 53.46 ? 24 PHE B CA 1 ATOM 857 C C . PHE B 1 29 ? -5.810 20.117 8.046 1.00 55.05 ? 24 PHE B C 1 ATOM 858 O O . PHE B 1 29 ? -6.913 19.933 7.548 1.00 60.87 ? 24 PHE B O 1 ATOM 859 C CB . PHE B 1 29 ? -3.978 18.392 7.364 1.00 61.09 ? 24 PHE B CB 1 ATOM 860 C CG . PHE B 1 29 ? -3.665 18.012 8.793 1.00 67.71 ? 24 PHE B CG 1 ATOM 861 C CD1 . PHE B 1 29 ? -4.682 17.648 9.680 1.00 68.15 ? 24 PHE B CD1 1 ATOM 862 C CD2 . PHE B 1 29 ? -2.351 18.007 9.254 1.00 73.11 ? 24 PHE B CD2 1 ATOM 863 C CE1 . PHE B 1 29 ? -4.398 17.302 10.993 1.00 68.94 ? 24 PHE B CE1 1 ATOM 864 C CE2 . PHE B 1 29 ? -2.057 17.656 10.574 1.00 69.84 ? 24 PHE B CE2 1 ATOM 865 C CZ . PHE B 1 29 ? -3.083 17.302 11.438 1.00 69.49 ? 24 PHE B CZ 1 ATOM 866 N N . SER B 1 30 ? -5.664 20.582 9.294 1.00 53.39 ? 25 SER B N 1 ATOM 867 C CA . SER B 1 30 ? -6.817 20.998 10.124 1.00 52.78 ? 25 SER B CA 1 ATOM 868 C C . SER B 1 30 ? -7.701 22.003 9.393 1.00 51.04 ? 25 SER B C 1 ATOM 869 O O . SER B 1 30 ? -8.926 21.817 9.256 1.00 47.97 ? 25 SER B O 1 ATOM 870 C CB . SER B 1 30 ? -6.367 21.631 11.446 1.00 58.54 ? 25 SER B CB 1 ATOM 871 O OG . SER B 1 30 ? -5.670 20.712 12.272 1.00 68.15 ? 25 SER B OG 1 ATOM 872 N N . LEU B 1 31 ? -7.076 23.075 8.923 1.00 48.69 ? 26 LEU B N 1 ATOM 873 C CA . LEU B 1 31 ? -7.756 23.965 7.996 1.00 52.00 ? 26 LEU B CA 1 ATOM 874 C C . LEU B 1 31 ? -8.652 23.234 6.983 1.00 51.26 ? 26 LEU B C 1 ATOM 875 O O . LEU B 1 31 ? -9.815 23.607 6.812 1.00 50.13 ? 26 LEU B O 1 ATOM 876 C CB . LEU B 1 31 ? -6.767 24.864 7.251 1.00 51.25 ? 26 LEU B CB 1 ATOM 877 C CG . LEU B 1 31 ? -7.403 25.985 6.410 1.00 53.85 ? 26 LEU B CG 1 ATOM 878 C CD1 . LEU B 1 31 ? -8.586 26.642 7.119 1.00 55.33 ? 26 LEU B CD1 1 ATOM 879 C CD2 . LEU B 1 31 ? -6.381 27.048 6.045 1.00 53.77 ? 26 LEU B CD2 1 ATOM 880 N N . ILE B 1 32 ? -8.128 22.210 6.312 1.00 47.39 ? 27 ILE B N 1 ATOM 881 C CA . ILE B 1 32 ? -8.913 21.589 5.256 1.00 50.11 ? 27 ILE B CA 1 ATOM 882 C C . ILE B 1 32 ? -10.165 20.902 5.812 1.00 49.82 ? 27 ILE B C 1 ATOM 883 O O . ILE B 1 32 ? -11.267 21.035 5.251 1.00 47.30 ? 27 ILE B O 1 ATOM 884 C CB . ILE B 1 32 ? -8.075 20.679 4.340 1.00 53.49 ? 27 ILE B CB 1 ATOM 885 C CG1 . ILE B 1 32 ? -6.811 21.406 3.870 1.00 51.54 ? 27 ILE B CG1 1 ATOM 886 C CG2 . ILE B 1 32 ? -8.875 20.312 3.100 1.00 55.58 ? 27 ILE B CG2 1 ATOM 887 C CD1 . ILE B 1 32 ? -5.821 20.518 3.133 1.00 51.02 ? 27 ILE B CD1 1 ATOM 888 N N . GLN B 1 33 ? -10.001 20.212 6.937 1.00 50.29 ? 28 GLN B N 1 ATOM 889 C CA . GLN B 1 33 ? -11.137 19.612 7.644 1.00 53.54 ? 28 GLN B CA 1 ATOM 890 C C . GLN B 1 33 ? -12.214 20.652 7.940 1.00 53.92 ? 28 GLN B C 1 ATOM 891 O O . GLN B 1 33 ? -13.384 20.458 7.575 1.00 56.24 ? 28 GLN B O 1 ATOM 892 C CB . GLN B 1 33 ? -10.683 18.919 8.924 1.00 53.99 ? 28 GLN B CB 1 ATOM 893 C CG . GLN B 1 33 ? -9.861 17.662 8.654 1.00 62.45 ? 28 GLN B CG 1 ATOM 894 C CD . GLN B 1 33 ? -9.010 17.213 9.845 1.00 68.95 ? 28 GLN B CD 1 ATOM 895 O OE1 . GLN B 1 33 ? -8.765 16.017 10.019 1.00 73.54 ? 28 GLN B OE1 1 ATOM 896 N NE2 . GLN B 1 33 ? -8.558 18.165 10.668 1.00 69.24 ? 28 GLN B NE2 1 ATOM 897 N N . GLN B 1 34 ? -11.803 21.758 8.563 1.00 49.27 ? 29 GLN B N 1 ATOM 898 C CA . GLN B 1 34 ? -12.675 22.904 8.801 1.00 47.21 ? 29 GLN B CA 1 ATOM 899 C C . GLN B 1 34 ? -13.418 23.415 7.580 1.00 46.87 ? 29 GLN B C 1 ATOM 900 O O . GLN B 1 34 ? -14.617 23.695 7.657 1.00 46.19 ? 29 GLN B O 1 ATOM 901 C CB . GLN B 1 34 ? -11.861 24.052 9.364 1.00 48.78 ? 29 GLN B CB 1 ATOM 902 C CG . GLN B 1 34 ? -11.271 23.737 10.706 1.00 52.00 ? 29 GLN B CG 1 ATOM 903 C CD . GLN B 1 34 ? -12.301 23.109 11.584 1.00 53.18 ? 29 GLN B CD 1 ATOM 904 O OE1 . GLN B 1 34 ? -13.310 23.729 11.908 1.00 55.74 ? 29 GLN B OE1 1 ATOM 905 N NE2 . GLN B 1 34 ? -12.078 21.861 11.947 1.00 55.93 ? 29 GLN B NE2 1 ATOM 906 N N . ALA B 1 35 ? -12.701 23.536 6.461 1.00 48.52 ? 30 ALA B N 1 ATOM 907 C CA . ALA B 1 35 ? -13.227 24.182 5.245 1.00 48.85 ? 30 ALA B CA 1 ATOM 908 C C . ALA B 1 35 ? -14.175 23.283 4.470 1.00 50.28 ? 30 ALA B C 1 ATOM 909 O O . ALA B 1 35 ? -15.203 23.743 3.966 1.00 48.96 ? 30 ALA B O 1 ATOM 910 C CB . ALA B 1 35 ? -12.094 24.647 4.344 1.00 46.95 ? 30 ALA B CB 1 ATOM 911 N N . VAL B 1 36 ? -13.819 22.006 4.364 1.00 50.86 ? 31 VAL B N 1 ATOM 912 C CA . VAL B 1 36 ? -14.678 21.047 3.703 1.00 53.28 ? 31 VAL B CA 1 ATOM 913 C C . VAL B 1 36 ? -16.039 21.153 4.375 1.00 54.58 ? 31 VAL B C 1 ATOM 914 O O . VAL B 1 36 ? -17.036 21.475 3.715 1.00 57.72 ? 31 VAL B O 1 ATOM 915 C CB . VAL B 1 36 ? -14.142 19.606 3.839 1.00 54.55 ? 31 VAL B CB 1 ATOM 916 C CG1 . VAL B 1 36 ? -15.203 18.605 3.423 1.00 50.40 ? 31 VAL B CG1 1 ATOM 917 C CG2 . VAL B 1 36 ? -12.886 19.415 3.003 1.00 55.69 ? 31 VAL B CG2 1 ATOM 918 N N . THR B 1 37 ? -16.038 20.922 5.693 1.00 51.43 ? 32 THR B N 1 ATOM 919 C CA . THR B 1 37 ? -17.223 20.875 6.551 1.00 47.27 ? 32 THR B CA 1 ATOM 920 C C . THR B 1 37 ? -18.128 22.056 6.319 1.00 48.00 ? 32 THR B C 1 ATOM 921 O O . THR B 1 37 ? -19.340 21.905 6.093 1.00 48.45 ? 32 THR B O 1 ATOM 922 C CB . THR B 1 37 ? -16.776 20.905 8.012 1.00 47.18 ? 32 THR B CB 1 ATOM 923 O OG1 . THR B 1 37 ? -16.017 19.726 8.277 1.00 49.36 ? 32 THR B OG1 1 ATOM 924 C CG2 . THR B 1 37 ? -17.969 21.017 8.980 1.00 46.76 ? 32 THR B CG2 1 ATOM 925 N N . ARG B 1 38 ? -17.526 23.236 6.389 1.00 44.60 ? 33 ARG B N 1 ATOM 926 C CA . ARG B 1 38 ? -18.248 24.455 6.158 1.00 45.25 ? 33 ARG B CA 1 ATOM 927 C C . ARG B 1 38 ? -18.818 24.555 4.744 1.00 47.72 ? 33 ARG B C 1 ATOM 928 O O . ARG B 1 38 ? -19.975 24.972 4.585 1.00 51.80 ? 33 ARG B O 1 ATOM 929 C CB . ARG B 1 38 ? -17.360 25.642 6.462 1.00 44.59 ? 33 ARG B CB 1 ATOM 930 C CG . ARG B 1 38 ? -17.084 25.774 7.928 1.00 44.56 ? 33 ARG B CG 1 ATOM 931 C CD . ARG B 1 38 ? -16.790 27.222 8.267 1.00 48.35 ? 33 ARG B CD 1 ATOM 932 N NE . ARG B 1 38 ? -16.775 27.436 9.717 1.00 46.45 ? 33 ARG B NE 1 ATOM 933 C CZ . ARG B 1 38 ? -15.970 26.807 10.569 1.00 40.79 ? 33 ARG B CZ 1 ATOM 934 N NH1 . ARG B 1 38 ? -15.102 25.908 10.148 1.00 39.41 ? 33 ARG B NH1 1 ATOM 935 N NH2 . ARG B 1 38 ? -16.050 27.068 11.853 1.00 40.22 ? 33 ARG B NH2 1 ATOM 936 N N . TYR B 1 39 ? -18.015 24.172 3.742 1.00 44.55 ? 34 TYR B N 1 ATOM 937 C CA . TYR B 1 39 ? -18.425 24.210 2.345 1.00 45.81 ? 34 TYR B CA 1 ATOM 938 C C . TYR B 1 39 ? -19.565 23.253 2.050 1.00 50.11 ? 34 TYR B C 1 ATOM 939 O O . TYR B 1 39 ? -20.454 23.580 1.263 1.00 52.19 ? 34 TYR B O 1 ATOM 940 C CB . TYR B 1 39 ? -17.259 23.867 1.435 1.00 46.96 ? 34 TYR B CB 1 ATOM 941 C CG . TYR B 1 39 ? -17.633 23.574 -0.020 1.00 46.70 ? 34 TYR B CG 1 ATOM 942 C CD1 . TYR B 1 39 ? -18.121 24.575 -0.851 1.00 48.79 ? 34 TYR B CD1 1 ATOM 943 C CD2 . TYR B 1 39 ? -17.461 22.301 -0.564 1.00 46.96 ? 34 TYR B CD2 1 ATOM 944 C CE1 . TYR B 1 39 ? -18.443 24.317 -2.176 1.00 51.87 ? 34 TYR B CE1 1 ATOM 945 C CE2 . TYR B 1 39 ? -17.790 22.032 -1.876 1.00 48.35 ? 34 TYR B CE2 1 ATOM 946 C CZ . TYR B 1 39 ? -18.284 23.043 -2.683 1.00 51.46 ? 34 TYR B CZ 1 ATOM 947 O OH . TYR B 1 39 ? -18.608 22.787 -4.008 1.00 55.94 ? 34 TYR B OH 1 ATOM 948 N N . ARG B 1 40 ? -19.521 22.064 2.651 1.00 52.89 ? 35 ARG B N 1 ATOM 949 C CA . ARG B 1 40 ? -20.651 21.131 2.596 1.00 55.65 ? 35 ARG B CA 1 ATOM 950 C C . ARG B 1 40 ? -21.944 21.844 2.993 1.00 54.02 ? 35 ARG B C 1 ATOM 951 O O . ARG B 1 40 ? -22.859 21.955 2.177 1.00 59.10 ? 35 ARG B O 1 ATOM 952 C CB . ARG B 1 40 ? -20.412 19.885 3.471 1.00 60.58 ? 35 ARG B CB 1 ATOM 953 C CG . ARG B 1 40 ? -19.410 18.915 2.873 1.00 61.36 ? 35 ARG B CG 1 ATOM 954 C CD . ARG B 1 40 ? -19.475 17.544 3.521 1.00 69.06 ? 35 ARG B CD 1 ATOM 955 N NE . ARG B 1 40 ? -18.799 16.539 2.685 1.00 77.80 ? 35 ARG B NE 1 ATOM 956 C CZ . ARG B 1 40 ? -19.374 15.819 1.710 1.00 79.90 ? 35 ARG B CZ 1 ATOM 957 N NH1 . ARG B 1 40 ? -20.665 15.945 1.407 1.00 77.39 ? 35 ARG B NH1 1 ATOM 958 N NH2 . ARG B 1 40 ? -18.644 14.948 1.028 1.00 82.92 ? 35 ARG B NH2 1 ATOM 959 N N . LYS B 1 41 ? -22.000 22.353 4.219 1.00 48.52 ? 36 LYS B N 1 ATOM 960 C CA . LYS B 1 41 ? -23.134 23.150 4.668 1.00 49.85 ? 36 LYS B CA 1 ATOM 961 C C . LYS B 1 41 ? -23.611 24.241 3.681 1.00 49.03 ? 36 LYS B C 1 ATOM 962 O O . LYS B 1 41 ? -24.788 24.322 3.352 1.00 48.53 ? 36 LYS B O 1 ATOM 963 C CB . LYS B 1 41 ? -22.789 23.799 5.993 1.00 49.59 ? 36 LYS B CB 1 ATOM 964 C CG . LYS B 1 41 ? -22.586 22.822 7.113 1.00 45.37 ? 36 LYS B CG 1 ATOM 965 C CD . LYS B 1 41 ? -22.551 23.602 8.394 1.00 47.86 ? 36 LYS B CD 1 ATOM 966 C CE . LYS B 1 41 ? -21.975 22.747 9.492 1.00 54.54 ? 36 LYS B CE 1 ATOM 967 N NZ . LYS B 1 41 ? -20.811 23.406 10.151 1.00 60.78 ? 36 LYS B NZ 1 ATOM 968 N N . ALA B 1 42 ? -22.689 25.080 3.229 1.00 50.61 ? 37 ALA B N 1 ATOM 969 C CA . ALA B 1 42 ? -23.010 26.235 2.389 1.00 54.28 ? 37 ALA B CA 1 ATOM 970 C C . ALA B 1 42 ? -23.650 25.912 1.040 1.00 55.43 ? 37 ALA B C 1 ATOM 971 O O . ALA B 1 42 ? -24.380 26.745 0.508 1.00 55.10 ? 37 ALA B O 1 ATOM 972 C CB . ALA B 1 42 ? -21.761 27.066 2.161 1.00 56.65 ? 37 ALA B CB 1 ATOM 973 N N . VAL B 1 43 ? -23.342 24.742 0.477 1.00 55.12 ? 38 VAL B N 1 ATOM 974 C CA . VAL B 1 43 ? -23.974 24.293 -0.762 1.00 59.47 ? 38 VAL B CA 1 ATOM 975 C C . VAL B 1 43 ? -24.858 23.041 -0.611 1.00 70.96 ? 38 VAL B C 1 ATOM 976 O O . VAL B 1 43 ? -25.625 22.724 -1.539 1.00 72.07 ? 38 VAL B O 1 ATOM 977 C CB . VAL B 1 43 ? -22.963 24.074 -1.920 1.00 60.17 ? 38 VAL B CB 1 ATOM 978 C CG1 . VAL B 1 43 ? -22.388 25.398 -2.418 1.00 60.57 ? 38 VAL B CG1 1 ATOM 979 C CG2 . VAL B 1 43 ? -21.877 23.073 -1.542 1.00 60.36 ? 38 VAL B CG2 1 ATOM 980 N N . ALA B 1 44 ? -24.748 22.349 0.541 1.00 76.90 ? 39 ALA B N 1 ATOM 981 C CA . ALA B 1 44 ? -25.471 21.083 0.859 1.00 78.17 ? 39 ALA B CA 1 ATOM 982 C C . ALA B 1 44 ? -25.833 20.288 -0.399 1.00 89.21 ? 39 ALA B C 1 ATOM 983 O O . ALA B 1 44 ? -26.997 20.261 -0.826 1.00 81.59 ? 39 ALA B O 1 ATOM 984 C CB . ALA B 1 44 ? -26.705 21.341 1.731 1.00 67.03 ? 39 ALA B CB 1 ATOM 985 N N . LYS B 1 45 ? -24.817 19.654 -0.990 1.00 105.21 ? 40 LYS B N 1 ATOM 986 C CA . LYS B 1 45 ? -24.941 19.020 -2.315 1.00 118.67 ? 40 LYS B CA 1 ATOM 987 C C . LYS B 1 45 ? -25.822 17.763 -2.317 1.00 122.95 ? 40 LYS B C 1 ATOM 988 O O . LYS B 1 45 ? -26.718 17.632 -3.160 1.00 122.77 ? 40 LYS B O 1 ATOM 989 C CB . LYS B 1 45 ? -23.554 18.708 -2.927 1.00 128.86 ? 40 LYS B CB 1 ATOM 990 C CG . LYS B 1 45 ? -22.654 19.904 -3.283 1.00 128.99 ? 40 LYS B CG 1 ATOM 991 C CD . LYS B 1 45 ? -22.986 20.554 -4.629 1.00 122.83 ? 40 LYS B CD 1 ATOM 992 C CE . LYS B 1 45 ? -23.965 21.708 -4.446 1.00 119.60 ? 40 LYS B CE 1 ATOM 993 N NZ . LYS B 1 45 ? -24.487 22.239 -5.751 1.00 129.68 ? 40 LYS B NZ 1 ATOM 994 N N . ASP B 1 46 ? -25.567 16.854 -1.367 1.00 131.64 ? 41 ASP B N 1 ATOM 995 C CA . ASP B 1 46 ? -26.246 15.547 -1.303 1.00 125.17 ? 41 ASP B CA 1 ATOM 996 C C . ASP B 1 46 ? -26.005 14.843 0.048 1.00 125.17 ? 41 ASP B C 1 ATOM 997 O O . ASP B 1 46 ? -25.004 15.118 0.738 1.00 111.45 ? 41 ASP B O 1 ATOM 998 C CB . ASP B 1 46 ? -25.730 14.646 -2.442 1.00 116.14 ? 41 ASP B CB 1 ATOM 999 C CG . ASP B 1 46 ? -26.803 13.748 -3.047 1.00 106.83 ? 41 ASP B CG 1 ATOM 1000 O OD1 . ASP B 1 46 ? -27.386 12.902 -2.336 1.00 101.07 ? 41 ASP B OD1 1 ATOM 1001 O OD2 . ASP B 1 46 ? -27.016 13.857 -4.273 1.00 99.93 ? 41 ASP B OD2 1 ATOM 1002 N N . PRO B 1 47 ? -26.945 13.957 0.445 1.00 130.98 ? 42 PRO B N 1 ATOM 1003 C CA . PRO B 1 47 ? -26.633 12.878 1.399 1.00 128.92 ? 42 PRO B CA 1 ATOM 1004 C C . PRO B 1 47 ? -25.471 11.931 0.968 1.00 128.25 ? 42 PRO B C 1 ATOM 1005 O O . PRO B 1 47 ? -24.678 11.517 1.828 1.00 120.06 ? 42 PRO B O 1 ATOM 1006 C CB . PRO B 1 47 ? -27.964 12.122 1.502 1.00 117.55 ? 42 PRO B CB 1 ATOM 1007 C CG . PRO B 1 47 ? -28.997 13.191 1.306 1.00 116.23 ? 42 PRO B CG 1 ATOM 1008 C CD . PRO B 1 47 ? -28.405 14.186 0.339 1.00 120.65 ? 42 PRO B CD 1 ATOM 1009 N N . ASN B 1 48 ? -25.366 11.600 -0.329 1.00 125.18 ? 43 ASN B N 1 ATOM 1010 C CA . ASN B 1 48 ? -24.279 10.712 -0.824 1.00 120.97 ? 43 ASN B CA 1 ATOM 1011 C C . ASN B 1 48 ? -22.949 11.413 -1.213 1.00 118.71 ? 43 ASN B C 1 ATOM 1012 O O . ASN B 1 48 ? -21.873 10.914 -0.874 1.00 111.39 ? 43 ASN B O 1 ATOM 1013 C CB . ASN B 1 48 ? -24.764 9.670 -1.888 1.00 112.47 ? 43 ASN B CB 1 ATOM 1014 C CG . ASN B 1 48 ? -25.242 10.301 -3.210 1.00 106.00 ? 43 ASN B CG 1 ATOM 1015 O OD1 . ASN B 1 48 ? -25.056 11.487 -3.471 1.00 105.47 ? 43 ASN B OD1 1 ATOM 1016 N ND2 . ASN B 1 48 ? -25.844 9.479 -4.061 1.00 92.41 ? 43 ASN B ND2 1 ATOM 1017 N N . TYR B 1 49 ? -23.049 12.557 -1.902 1.00 118.70 ? 44 TYR B N 1 ATOM 1018 C CA . TYR B 1 49 ? -21.914 13.425 -2.311 1.00 116.77 ? 44 TYR B CA 1 ATOM 1019 C C . TYR B 1 49 ? -20.612 13.293 -1.475 1.00 115.86 ? 44 TYR B C 1 ATOM 1020 O O . TYR B 1 49 ? -20.609 13.479 -0.246 1.00 109.69 ? 44 TYR B O 1 ATOM 1021 C CB . TYR B 1 49 ? -22.402 14.891 -2.390 1.00 118.83 ? 44 TYR B CB 1 ATOM 1022 C CG . TYR B 1 49 ? -21.367 15.946 -2.726 1.00 120.61 ? 44 TYR B CG 1 ATOM 1023 C CD1 . TYR B 1 49 ? -20.913 16.113 -4.036 1.00 122.31 ? 44 TYR B CD1 1 ATOM 1024 C CD2 . TYR B 1 49 ? -20.868 16.806 -1.730 1.00 123.92 ? 44 TYR B CD2 1 ATOM 1025 C CE1 . TYR B 1 49 ? -19.976 17.084 -4.345 1.00 126.78 ? 44 TYR B CE1 1 ATOM 1026 C CE2 . TYR B 1 49 ? -19.927 17.778 -2.025 1.00 126.99 ? 44 TYR B CE2 1 ATOM 1027 C CZ . TYR B 1 49 ? -19.485 17.911 -3.335 1.00 135.28 ? 44 TYR B CZ 1 ATOM 1028 O OH . TYR B 1 49 ? -18.551 18.872 -3.638 1.00 134.85 ? 44 TYR B OH 1 ATOM 1029 N N . TRP B 1 50 ? -19.523 12.991 -2.190 1.00 106.80 ? 45 TRP B N 1 ATOM 1030 C CA . TRP B 1 50 ? -18.185 12.696 -1.661 1.00 97.71 ? 45 TRP B CA 1 ATOM 1031 C C . TRP B 1 50 ? -17.233 13.801 -2.065 1.00 94.26 ? 45 TRP B C 1 ATOM 1032 O O . TRP B 1 50 ? -17.380 14.384 -3.160 1.00 90.21 ? 45 TRP B O 1 ATOM 1033 C CB . TRP B 1 50 ? -17.717 11.430 -2.351 1.00 106.80 ? 45 TRP B CB 1 ATOM 1034 C CG . TRP B 1 50 ? -17.631 11.676 -3.844 1.00 115.99 ? 45 TRP B CG 1 ATOM 1035 C CD1 . TRP B 1 50 ? -18.691 11.851 -4.756 1.00 113.99 ? 45 TRP B CD1 1 ATOM 1036 C CD2 . TRP B 1 50 ? -16.411 11.881 -4.631 1.00 112.72 ? 45 TRP B CD2 1 ATOM 1037 N NE1 . TRP B 1 50 ? -18.213 12.111 -6.017 1.00 114.42 ? 45 TRP B NE1 1 ATOM 1038 C CE2 . TRP B 1 50 ? -16.853 12.140 -6.015 1.00 116.91 ? 45 TRP B CE2 1 ATOM 1039 C CE3 . TRP B 1 50 ? -15.048 11.861 -4.344 1.00 102.62 ? 45 TRP B CE3 1 ATOM 1040 C CZ2 . TRP B 1 50 ? -15.945 12.355 -7.044 1.00 117.38 ? 45 TRP B CZ2 1 ATOM 1041 C CZ3 . TRP B 1 50 ? -14.146 12.083 -5.388 1.00 109.30 ? 45 TRP B CZ3 1 ATOM 1042 C CH2 . TRP B 1 50 ? -14.583 12.323 -6.705 1.00 115.86 ? 45 TRP B CH2 1 ATOM 1043 N N . ILE B 1 51 ? -16.224 14.092 -1.239 1.00 85.77 ? 46 ILE B N 1 ATOM 1044 C CA . ILE B 1 51 ? -15.245 15.138 -1.621 1.00 81.43 ? 46 ILE B CA 1 ATOM 1045 C C . ILE B 1 51 ? -13.782 14.892 -1.217 1.00 76.94 ? 46 ILE B C 1 ATOM 1046 O O . ILE B 1 51 ? -13.503 14.536 -0.065 1.00 68.02 ? 46 ILE B O 1 ATOM 1047 C CB . ILE B 1 51 ? -15.690 16.538 -1.149 1.00 76.87 ? 46 ILE B CB 1 ATOM 1048 C CG1 . ILE B 1 51 ? -14.978 17.631 -1.955 1.00 78.83 ? 46 ILE B CG1 1 ATOM 1049 C CG2 . ILE B 1 51 ? -15.460 16.690 0.344 1.00 75.44 ? 46 ILE B CG2 1 ATOM 1050 C CD1 . ILE B 1 51 ? -15.602 19.002 -1.810 1.00 80.41 ? 46 ILE B CD1 1 ATOM 1051 N N . GLN B 1 52 ? -12.865 15.089 -2.177 1.00 74.52 ? 47 GLN B N 1 ATOM 1052 C CA . GLN B 1 52 ? -11.425 15.065 -1.884 1.00 73.17 ? 47 GLN B CA 1 ATOM 1053 C C . GLN B 1 52 ? -10.694 16.296 -2.339 1.00 68.78 ? 47 GLN B C 1 ATOM 1054 O O . GLN B 1 52 ? -10.749 16.675 -3.510 1.00 65.83 ? 47 GLN B O 1 ATOM 1055 C CB . GLN B 1 52 ? -10.709 13.818 -2.418 1.00 78.29 ? 47 GLN B CB 1 ATOM 1056 C CG . GLN B 1 52 ? -10.205 12.904 -1.302 1.00 79.31 ? 47 GLN B CG 1 ATOM 1057 C CD . GLN B 1 52 ? -8.790 12.404 -1.536 1.00 80.40 ? 47 GLN B CD 1 ATOM 1058 O OE1 . GLN B 1 52 ? -7.845 12.845 -0.878 1.00 82.15 ? 47 GLN B OE1 1 ATOM 1059 N NE2 . GLN B 1 52 ? -8.634 11.487 -2.481 1.00 78.32 ? 47 GLN B NE2 1 ATOM 1060 N N . VAL B 1 53 ? -9.998 16.887 -1.371 1.00 67.11 ? 48 VAL B N 1 ATOM 1061 C CA . VAL B 1 53 ? -9.192 18.090 -1.546 1.00 65.17 ? 48 VAL B CA 1 ATOM 1062 C C . VAL B 1 53 ? -7.764 17.639 -1.643 1.00 61.15 ? 48 VAL B C 1 ATOM 1063 O O . VAL B 1 53 ? -7.232 17.046 -0.701 1.00 58.52 ? 48 VAL B O 1 ATOM 1064 C CB . VAL B 1 53 ? -9.281 19.021 -0.313 1.00 62.57 ? 48 VAL B CB 1 ATOM 1065 C CG1 . VAL B 1 53 ? -8.266 20.142 -0.409 1.00 59.77 ? 48 VAL B CG1 1 ATOM 1066 C CG2 . VAL B 1 53 ? -10.678 19.598 -0.168 1.00 65.06 ? 48 VAL B CG2 1 ATOM 1067 N N . HIS B 1 54 ? -7.134 17.941 -2.766 1.00 59.50 ? 49 HIS B N 1 ATOM 1068 C CA . HIS B 1 54 ? -5.753 17.519 -2.969 1.00 64.73 ? 49 HIS B CA 1 ATOM 1069 C C . HIS B 1 54 ? -4.792 18.468 -2.338 1.00 66.57 ? 49 HIS B C 1 ATOM 1070 O O . HIS B 1 54 ? -3.989 18.066 -1.499 1.00 68.04 ? 49 HIS B O 1 ATOM 1071 C CB . HIS B 1 54 ? -5.489 17.199 -4.438 1.00 63.24 ? 49 HIS B CB 1 ATOM 1072 C CG . HIS B 1 54 ? -6.429 16.138 -4.943 1.00 68.67 ? 49 HIS B CG 1 ATOM 1073 N ND1 . HIS B 1 54 ? -7.488 16.417 -5.745 1.00 69.10 ? 49 HIS B ND1 1 ATOM 1074 C CD2 . HIS B 1 54 ? -6.530 14.783 -4.609 1.00 65.89 ? 49 HIS B CD2 1 ATOM 1075 C CE1 . HIS B 1 54 ? -8.196 15.289 -5.952 1.00 69.96 ? 49 HIS B CE1 1 ATOM 1076 N NE2 . HIS B 1 54 ? -7.610 14.290 -5.255 1.00 71.66 ? 49 HIS B NE2 1 ATOM 1077 N N . ARG B 1 55 ? -4.910 19.749 -2.660 1.00 68.34 ? 50 ARG B N 1 ATOM 1078 C CA . ARG B 1 55 ? -4.014 20.728 -2.080 1.00 61.00 ? 50 ARG B CA 1 ATOM 1079 C C . ARG B 1 55 ? -4.690 22.063 -1.853 1.00 58.75 ? 50 ARG B C 1 ATOM 1080 O O . ARG B 1 55 ? -5.733 22.369 -2.469 1.00 56.33 ? 50 ARG B O 1 ATOM 1081 C CB . ARG B 1 55 ? -2.780 20.897 -2.973 1.00 63.07 ? 50 ARG B CB 1 ATOM 1082 C CG . ARG B 1 55 ? -3.101 21.190 -4.425 1.00 62.75 ? 50 ARG B CG 1 ATOM 1083 C CD . ARG B 1 55 ? -1.860 21.054 -5.279 1.00 63.44 ? 50 ARG B CD 1 ATOM 1084 N NE . ARG B 1 55 ? -2.066 21.731 -6.553 1.00 67.13 ? 50 ARG B NE 1 ATOM 1085 C CZ . ARG B 1 55 ? -2.443 21.122 -7.671 1.00 67.73 ? 50 ARG B CZ 1 ATOM 1086 N NH1 . ARG B 1 55 ? -2.637 19.813 -7.666 1.00 68.53 ? 50 ARG B NH1 1 ATOM 1087 N NH2 . ARG B 1 55 ? -2.631 21.819 -8.787 1.00 67.80 ? 50 ARG B NH2 1 ATOM 1088 N N . LEU B 1 56 ? -4.063 22.854 -0.978 1.00 53.14 ? 51 LEU B N 1 ATOM 1089 C CA . LEU B 1 56 ? -4.461 24.230 -0.731 1.00 51.01 ? 51 LEU B CA 1 ATOM 1090 C C . LEU B 1 56 ? -3.467 25.256 -1.320 1.00 48.26 ? 51 LEU B C 1 ATOM 1091 O O . LEU B 1 56 ? -2.292 25.229 -0.989 1.00 51.16 ? 51 LEU B O 1 ATOM 1092 C CB . LEU B 1 56 ? -4.627 24.410 0.768 1.00 51.85 ? 51 LEU B CB 1 ATOM 1093 C CG . LEU B 1 56 ? -5.457 25.593 1.242 1.00 54.98 ? 51 LEU B CG 1 ATOM 1094 C CD1 . LEU B 1 56 ? -6.795 25.646 0.516 1.00 58.02 ? 51 LEU B CD1 1 ATOM 1095 C CD2 . LEU B 1 56 ? -5.635 25.471 2.745 1.00 54.62 ? 51 LEU B CD2 1 ATOM 1096 N N . GLU B 1 57 ? -3.930 26.145 -2.198 1.00 45.22 ? 52 GLU B N 1 ATOM 1097 C CA . GLU B 1 57 ? -3.052 27.155 -2.803 1.00 44.63 ? 52 GLU B CA 1 ATOM 1098 C C . GLU B 1 57 ? -3.357 28.604 -2.372 1.00 49.45 ? 52 GLU B C 1 ATOM 1099 O O . GLU B 1 57 ? -4.452 28.920 -1.823 1.00 45.82 ? 52 GLU B O 1 ATOM 1100 C CB . GLU B 1 57 ? -3.048 27.044 -4.332 1.00 42.27 ? 52 GLU B CB 1 ATOM 1101 C CG . GLU B 1 57 ? -2.496 25.706 -4.820 1.00 45.80 ? 52 GLU B CG 1 ATOM 1102 C CD . GLU B 1 57 ? -2.481 25.500 -6.353 1.00 46.78 ? 52 GLU B CD 1 ATOM 1103 O OE1 . GLU B 1 57 ? -2.737 26.435 -7.174 1.00 45.37 ? 52 GLU B OE1 1 ATOM 1104 O OE2 . GLU B 1 57 ? -2.188 24.350 -6.742 1.00 44.02 ? 52 GLU B OE2 1 ATOM 1105 N N . HIS B 1 58 ? -2.362 29.470 -2.602 1.00 48.23 ? 53 HIS B N 1 ATOM 1106 C CA . HIS B 1 58 ? -2.556 30.905 -2.563 1.00 46.10 ? 53 HIS B CA 1 ATOM 1107 C C . HIS B 1 58 ? -2.956 31.261 -3.960 1.00 45.56 ? 53 HIS B C 1 ATOM 1108 O O . HIS B 1 58 ? -2.980 30.388 -4.843 1.00 44.83 ? 53 HIS B O 1 ATOM 1109 C CB . HIS B 1 58 ? -1.251 31.627 -2.210 1.00 48.92 ? 53 HIS B CB 1 ATOM 1110 C CG . HIS B 1 58 ? -1.003 31.795 -0.716 1.00 52.33 ? 53 HIS B CG 1 ATOM 1111 N ND1 . HIS B 1 58 ? -0.174 30.983 -0.014 1.00 53.49 ? 53 HIS B ND1 1 ATOM 1112 C CD2 . HIS B 1 58 ? -1.478 32.741 0.194 1.00 51.25 ? 53 HIS B CD2 1 ATOM 1113 C CE1 . HIS B 1 58 ? -0.133 31.380 1.274 1.00 49.51 ? 53 HIS B CE1 1 ATOM 1114 N NE2 . HIS B 1 58 ? -0.932 32.453 1.403 1.00 50.40 ? 53 HIS B NE2 1 ATOM 1115 N N . GLY B 1 59 ? -3.275 32.539 -4.163 1.00 46.01 ? 54 GLY B N 1 ATOM 1116 C CA . GLY B 1 59 ? -3.494 33.130 -5.473 1.00 46.01 ? 54 GLY B CA 1 ATOM 1117 C C . GLY B 1 59 ? -2.445 32.762 -6.506 1.00 53.58 ? 54 GLY B C 1 ATOM 1118 O O . GLY B 1 59 ? -2.817 32.314 -7.598 1.00 57.86 ? 54 GLY B O 1 ATOM 1119 N N . ASP B 1 60 ? -1.145 32.918 -6.186 1.00 52.92 ? 55 ASP B N 1 ATOM 1120 C CA . ASP B 1 60 ? -0.090 32.642 -7.176 1.00 50.24 ? 55 ASP B CA 1 ATOM 1121 C C . ASP B 1 60 ? -0.083 31.225 -7.635 1.00 51.91 ? 55 ASP B C 1 ATOM 1122 O O . ASP B 1 60 ? 0.328 30.944 -8.752 1.00 61.30 ? 55 ASP B O 1 ATOM 1123 C CB . ASP B 1 60 ? 1.338 32.911 -6.696 1.00 52.89 ? 55 ASP B CB 1 ATOM 1124 C CG . ASP B 1 60 ? 1.430 33.157 -5.240 1.00 54.58 ? 55 ASP B CG 1 ATOM 1125 O OD1 . ASP B 1 60 ? 1.194 32.217 -4.436 1.00 54.96 ? 55 ASP B OD1 1 ATOM 1126 O OD2 . ASP B 1 60 ? 1.809 34.308 -4.924 1.00 55.33 ? 55 ASP B OD2 1 ATOM 1127 N N . GLY B 1 61 ? -0.502 30.328 -6.759 1.00 50.28 ? 56 GLY B N 1 ATOM 1128 C CA . GLY B 1 61 ? -0.414 28.899 -7.018 1.00 50.75 ? 56 GLY B CA 1 ATOM 1129 C C . GLY B 1 61 ? 0.529 28.276 -6.012 1.00 51.25 ? 56 GLY B C 1 ATOM 1130 O O . GLY B 1 61 ? 0.935 27.133 -6.166 1.00 51.25 ? 56 GLY B O 1 ATOM 1131 N N . GLY B 1 62 ? 0.863 29.043 -4.971 1.00 52.40 ? 57 GLY B N 1 ATOM 1132 C CA . GLY B 1 62 ? 1.835 28.640 -3.973 1.00 44.83 ? 57 GLY B CA 1 ATOM 1133 C C . GLY B 1 62 ? 1.264 27.632 -3.017 1.00 43.13 ? 57 GLY B C 1 ATOM 1134 O O . GLY B 1 62 ? 0.495 27.995 -2.130 1.00 42.39 ? 57 GLY B O 1 ATOM 1135 N N . ILE B 1 63 ? 1.657 26.370 -3.207 1.00 42.21 ? 58 ILE B N 1 ATOM 1136 C CA . ILE B 1 63 ? 1.252 25.254 -2.351 1.00 42.24 ? 58 ILE B CA 1 ATOM 1137 C C . ILE B 1 63 ? 1.614 25.520 -0.903 1.00 41.17 ? 58 ILE B C 1 ATOM 1138 O O . ILE B 1 63 ? 2.693 26.042 -0.603 1.00 41.85 ? 58 ILE B O 1 ATOM 1139 C CB . ILE B 1 63 ? 1.947 23.923 -2.745 1.00 45.51 ? 58 ILE B CB 1 ATOM 1140 C CG1 . ILE B 1 63 ? 1.818 23.627 -4.239 1.00 41.71 ? 58 ILE B CG1 1 ATOM 1141 C CG2 . ILE B 1 63 ? 1.399 22.762 -1.918 1.00 43.81 ? 58 ILE B CG2 1 ATOM 1142 C CD1 . ILE B 1 63 ? 0.403 23.342 -4.666 1.00 45.89 ? 58 ILE B CD1 1 ATOM 1143 N N . LEU B 1 64 ? 0.702 25.121 -0.022 1.00 39.78 ? 59 LEU B N 1 ATOM 1144 C CA . LEU B 1 64 ? 0.860 25.204 1.419 1.00 37.15 ? 59 LEU B CA 1 ATOM 1145 C C . LEU B 1 64 ? 1.025 23.765 1.915 1.00 39.78 ? 59 LEU B C 1 ATOM 1146 O O . LEU B 1 64 ? 0.128 22.945 1.774 1.00 42.21 ? 59 LEU B O 1 ATOM 1147 C CB . LEU B 1 64 ? -0.410 25.813 2.014 1.00 34.91 ? 59 LEU B CB 1 ATOM 1148 C CG . LEU B 1 64 ? -0.863 27.293 1.913 1.00 35.54 ? 59 LEU B CG 1 ATOM 1149 C CD1 . LEU B 1 64 ? -1.376 27.785 0.555 1.00 34.24 ? 59 LEU B CD1 1 ATOM 1150 C CD2 . LEU B 1 64 ? -1.956 27.508 2.951 1.00 35.41 ? 59 LEU B CD2 1 ATOM 1151 N N . ASP B 1 65 ? 2.163 23.431 2.494 1.00 44.01 ? 60 ASP B N 1 ATOM 1152 C CA . ASP B 1 65 ? 2.322 22.067 3.035 1.00 48.36 ? 60 ASP B CA 1 ATOM 1153 C C . ASP B 1 65 ? 1.440 21.660 4.239 1.00 46.37 ? 60 ASP B C 1 ATOM 1154 O O . ASP B 1 65 ? 1.380 22.355 5.244 1.00 44.36 ? 60 ASP B O 1 ATOM 1155 C CB . ASP B 1 65 ? 3.770 21.799 3.401 1.00 52.71 ? 60 ASP B CB 1 ATOM 1156 C CG . ASP B 1 65 ? 4.017 20.357 3.640 1.00 53.51 ? 60 ASP B CG 1 ATOM 1157 O OD1 . ASP B 1 65 ? 3.706 19.908 4.771 1.00 53.32 ? 60 ASP B OD1 1 ATOM 1158 O OD2 . ASP B 1 65 ? 4.478 19.692 2.676 1.00 52.88 ? 60 ASP B OD2 1 ATOM 1159 N N . LEU B 1 66 ? 0.840 20.483 4.150 1.00 44.70 ? 61 LEU B N 1 ATOM 1160 C CA . LEU B 1 66 ? -0.146 20.053 5.124 1.00 45.11 ? 61 LEU B CA 1 ATOM 1161 C C . LEU B 1 66 ? 0.308 20.067 6.574 1.00 43.10 ? 61 LEU B C 1 ATOM 1162 O O . LEU B 1 66 ? -0.515 20.245 7.481 1.00 42.13 ? 61 LEU B O 1 ATOM 1163 C CB . LEU B 1 66 ? -0.650 18.655 4.798 1.00 48.81 ? 61 LEU B CB 1 ATOM 1164 C CG . LEU B 1 66 ? -1.081 18.328 3.370 1.00 49.87 ? 61 LEU B CG 1 ATOM 1165 C CD1 . LEU B 1 66 ? -0.819 16.841 3.139 1.00 51.80 ? 61 LEU B CD1 1 ATOM 1166 C CD2 . LEU B 1 66 ? -2.530 18.720 3.080 1.00 45.23 ? 61 LEU B CD2 1 ATOM 1167 N N . ASP B 1 67 ? 1.594 19.874 6.811 1.00 41.09 ? 62 ASP B N 1 ATOM 1168 C CA . ASP B 1 67 ? 2.043 19.771 8.201 1.00 44.17 ? 62 ASP B CA 1 ATOM 1169 C C . ASP B 1 67 ? 2.606 21.068 8.768 1.00 45.22 ? 62 ASP B C 1 ATOM 1170 O O . ASP B 1 67 ? 3.085 21.096 9.904 1.00 41.83 ? 62 ASP B O 1 ATOM 1171 C CB . ASP B 1 67 ? 3.041 18.638 8.380 1.00 47.20 ? 62 ASP B CB 1 ATOM 1172 C CG . ASP B 1 67 ? 2.633 17.384 7.640 1.00 51.18 ? 62 ASP B CG 1 ATOM 1173 O OD1 . ASP B 1 67 ? 1.541 16.837 7.936 1.00 52.14 ? 62 ASP B OD1 1 ATOM 1174 O OD2 . ASP B 1 67 ? 3.416 16.951 6.757 1.00 50.65 ? 62 ASP B OD2 1 ATOM 1175 N N . ASP B 1 68 ? 2.517 22.134 7.969 1.00 47.29 ? 63 ASP B N 1 ATOM 1176 C CA . ASP B 1 68 ? 2.977 23.462 8.343 1.00 47.25 ? 63 ASP B CA 1 ATOM 1177 C C . ASP B 1 68 ? 1.896 24.169 9.118 1.00 46.46 ? 63 ASP B C 1 ATOM 1178 O O . ASP B 1 68 ? 0.714 23.965 8.850 1.00 42.30 ? 63 ASP B O 1 ATOM 1179 C CB . ASP B 1 68 ? 3.303 24.282 7.094 1.00 51.04 ? 63 ASP B CB 1 ATOM 1180 C CG . ASP B 1 68 ? 4.605 23.855 6.422 1.00 54.79 ? 63 ASP B CG 1 ATOM 1181 O OD1 . ASP B 1 68 ? 5.344 23.023 7.009 1.00 53.89 ? 63 ASP B OD1 1 ATOM 1182 O OD2 . ASP B 1 68 ? 4.889 24.370 5.306 1.00 55.18 ? 63 ASP B OD2 1 ATOM 1183 N N . ILE B 1 69 ? 2.325 24.985 10.085 1.00 50.67 ? 64 ILE B N 1 ATOM 1184 C CA . ILE B 1 69 ? 1.457 25.875 10.883 1.00 49.93 ? 64 ILE B CA 1 ATOM 1185 C C . ILE B 1 69 ? 0.848 26.892 9.921 1.00 54.24 ? 64 ILE B C 1 ATOM 1186 O O . ILE B 1 69 ? 1.526 27.374 8.996 1.00 54.96 ? 64 ILE B O 1 ATOM 1187 C CB . ILE B 1 69 ? 2.258 26.669 11.948 1.00 47.01 ? 64 ILE B CB 1 ATOM 1188 C CG1 . ILE B 1 69 ? 3.309 25.806 12.664 1.00 45.23 ? 64 ILE B CG1 1 ATOM 1189 C CG2 . ILE B 1 69 ? 1.340 27.429 12.890 1.00 46.59 ? 64 ILE B CG2 1 ATOM 1190 C CD1 . ILE B 1 69 ? 2.820 24.457 13.130 1.00 48.37 ? 64 ILE B CD1 1 ATOM 1191 N N . LEU B 1 70 ? -0.422 27.225 10.123 1.00 52.60 ? 65 LEU B N 1 ATOM 1192 C CA . LEU B 1 70 ? -1.094 28.066 9.161 1.00 49.27 ? 65 LEU B CA 1 ATOM 1193 C C . LEU B 1 70 ? -0.524 29.497 9.194 1.00 48.79 ? 65 LEU B C 1 ATOM 1194 O O . LEU B 1 70 ? -0.005 29.980 8.188 1.00 47.19 ? 65 LEU B O 1 ATOM 1195 C CB . LEU B 1 70 ? -2.611 27.993 9.353 1.00 49.25 ? 65 LEU B CB 1 ATOM 1196 C CG . LEU B 1 70 ? -3.573 28.943 8.616 1.00 48.21 ? 65 LEU B CG 1 ATOM 1197 C CD1 . LEU B 1 70 ? -3.495 28.906 7.101 1.00 42.19 ? 65 LEU B CD1 1 ATOM 1198 C CD2 . LEU B 1 70 ? -4.975 28.620 9.081 1.00 47.32 ? 65 LEU B CD2 1 ATOM 1199 N N . CYS B 1 71 ? -0.582 30.151 10.350 1.00 47.91 ? 66 CYS B N 1 ATOM 1200 C CA . CYS B 1 71 ? -0.080 31.523 10.488 1.00 47.35 ? 66 CYS B CA 1 ATOM 1201 C C . CYS B 1 71 ? 1.376 31.674 10.034 1.00 49.01 ? 66 CYS B C 1 ATOM 1202 O O . CYS B 1 71 ? 1.866 32.804 9.892 1.00 49.12 ? 66 CYS B O 1 ATOM 1203 C CB . CYS B 1 71 ? -0.214 32.010 11.938 1.00 47.62 ? 66 CYS B CB 1 ATOM 1204 S SG . CYS B 1 71 ? 0.820 31.117 13.141 1.00 43.32 ? 66 CYS B SG 1 ATOM 1205 N N . ASP B 1 72 ? 2.060 30.543 9.831 1.00 45.93 ? 67 ASP B N 1 ATOM 1206 C CA . ASP B 1 72 ? 3.432 30.546 9.329 1.00 48.56 ? 67 ASP B CA 1 ATOM 1207 C C . ASP B 1 72 ? 3.566 30.612 7.807 1.00 50.57 ? 67 ASP B C 1 ATOM 1208 O O . ASP B 1 72 ? 4.618 30.950 7.279 1.00 48.94 ? 67 ASP B O 1 ATOM 1209 C CB . ASP B 1 72 ? 4.140 29.297 9.800 1.00 48.24 ? 67 ASP B CB 1 ATOM 1210 C CG . ASP B 1 72 ? 4.656 29.438 11.177 1.00 47.58 ? 67 ASP B CG 1 ATOM 1211 O OD1 . ASP B 1 72 ? 4.789 30.598 11.608 1.00 48.62 ? 67 ASP B OD1 1 ATOM 1212 O OD2 . ASP B 1 72 ? 4.941 28.410 11.817 1.00 45.36 ? 67 ASP B OD2 1 ATOM 1213 N N . VAL B 1 73 ? 2.481 30.276 7.128 1.00 50.68 ? 68 VAL B N 1 ATOM 1214 C CA . VAL B 1 73 ? 2.498 29.905 5.736 1.00 49.05 ? 68 VAL B CA 1 ATOM 1215 C C . VAL B 1 73 ? 1.446 30.773 5.035 1.00 50.94 ? 68 VAL B C 1 ATOM 1216 O O . VAL B 1 73 ? 1.416 30.875 3.799 1.00 54.21 ? 68 VAL B O 1 ATOM 1217 C CB . VAL B 1 73 ? 2.259 28.367 5.622 1.00 48.52 ? 68 VAL B CB 1 ATOM 1218 C CG1 . VAL B 1 73 ? 1.367 27.987 4.472 1.00 51.03 ? 68 VAL B CG1 1 ATOM 1219 C CG2 . VAL B 1 73 ? 3.574 27.630 5.482 1.00 49.15 ? 68 VAL B CG2 1 ATOM 1220 N N . ALA B 1 74 ? 0.613 31.435 5.835 1.00 44.87 ? 69 ALA B N 1 ATOM 1221 C CA . ALA B 1 74 ? -0.391 32.335 5.305 1.00 44.42 ? 69 ALA B CA 1 ATOM 1222 C C . ALA B 1 74 ? -0.614 33.511 6.255 1.00 44.67 ? 69 ALA B C 1 ATOM 1223 O O . ALA B 1 74 ? -0.128 33.491 7.369 1.00 46.84 ? 69 ALA B O 1 ATOM 1224 C CB . ALA B 1 74 ? -1.684 31.578 5.041 1.00 44.33 ? 69 ALA B CB 1 ATOM 1225 N N . ASP B 1 75 ? -1.331 34.536 5.807 1.00 47.83 ? 70 ASP B N 1 ATOM 1226 C CA . ASP B 1 75 ? -1.563 35.730 6.622 1.00 49.54 ? 70 ASP B CA 1 ATOM 1227 C C . ASP B 1 75 ? -3.015 35.787 7.016 1.00 48.13 ? 70 ASP B C 1 ATOM 1228 O O . ASP B 1 75 ? -3.888 35.287 6.294 1.00 41.45 ? 70 ASP B O 1 ATOM 1229 C CB . ASP B 1 75 ? -1.189 37.032 5.881 1.00 50.43 ? 70 ASP B CB 1 ATOM 1230 C CG . ASP B 1 75 ? 0.301 37.138 5.575 1.00 52.71 ? 70 ASP B CG 1 ATOM 1231 O OD1 . ASP B 1 75 ? 1.116 36.943 6.497 1.00 55.28 ? 70 ASP B OD1 1 ATOM 1232 O OD2 . ASP B 1 75 ? 0.667 37.414 4.407 1.00 55.09 ? 70 ASP B OD2 1 ATOM 1233 N N . ASP B 1 76 ? -3.262 36.404 8.169 1.00 48.49 ? 71 ASP B N 1 ATOM 1234 C CA . ASP B 1 76 ? -4.615 36.633 8.623 1.00 47.80 ? 71 ASP B CA 1 ATOM 1235 C C . ASP B 1 76 ? -5.407 37.279 7.511 1.00 46.85 ? 71 ASP B C 1 ATOM 1236 O O . ASP B 1 76 ? -4.897 38.146 6.797 1.00 46.10 ? 71 ASP B O 1 ATOM 1237 C CB . ASP B 1 76 ? -4.641 37.510 9.865 1.00 48.51 ? 71 ASP B CB 1 ATOM 1238 C CG . ASP B 1 76 ? -6.040 37.640 10.469 1.00 51.66 ? 71 ASP B CG 1 ATOM 1239 O OD1 . ASP B 1 76 ? -6.980 36.926 10.018 1.00 51.18 ? 71 ASP B OD1 1 ATOM 1240 O OD2 . ASP B 1 76 ? -6.187 38.457 11.411 1.00 50.25 ? 71 ASP B OD2 1 ATOM 1241 N N . LYS B 1 77 ? -6.639 36.806 7.357 1.00 45.65 ? 72 LYS B N 1 ATOM 1242 C CA . LYS B 1 77 ? -7.534 37.240 6.292 1.00 48.29 ? 72 LYS B CA 1 ATOM 1243 C C . LYS B 1 77 ? -7.118 36.907 4.844 1.00 45.56 ? 72 LYS B C 1 ATOM 1244 O O . LYS B 1 77 ? -7.674 37.477 3.936 1.00 44.89 ? 72 LYS B O 1 ATOM 1245 C CB . LYS B 1 77 ? -7.835 38.737 6.420 1.00 48.19 ? 72 LYS B CB 1 ATOM 1246 C CG . LYS B 1 77 ? -8.653 39.108 7.640 1.00 48.18 ? 72 LYS B CG 1 ATOM 1247 C CD . LYS B 1 77 ? -8.951 40.589 7.604 1.00 50.07 ? 72 LYS B CD 1 ATOM 1248 C CE . LYS B 1 77 ? -8.667 41.226 8.952 1.00 55.67 ? 72 LYS B CE 1 ATOM 1249 N NZ . LYS B 1 77 ? -8.642 42.709 8.804 1.00 59.61 ? 72 LYS B NZ 1 ATOM 1250 N N . ASP B 1 78 ? -6.168 36.003 4.628 1.00 46.24 ? 73 ASP B N 1 ATOM 1251 C CA . ASP B 1 78 ? -5.792 35.609 3.263 1.00 47.58 ? 73 ASP B CA 1 ATOM 1252 C C . ASP B 1 78 ? -6.919 34.847 2.591 1.00 50.45 ? 73 ASP B C 1 ATOM 1253 O O . ASP B 1 78 ? -7.715 34.162 3.263 1.00 51.02 ? 73 ASP B O 1 ATOM 1254 C CB . ASP B 1 78 ? -4.537 34.721 3.238 1.00 49.83 ? 73 ASP B CB 1 ATOM 1255 C CG . ASP B 1 78 ? -3.233 35.518 3.256 1.00 51.55 ? 73 ASP B CG 1 ATOM 1256 O OD1 . ASP B 1 78 ? -3.281 36.766 3.339 1.00 59.07 ? 73 ASP B OD1 1 ATOM 1257 O OD2 . ASP B 1 78 ? -2.154 34.894 3.185 1.00 44.96 ? 73 ASP B OD2 1 ATOM 1258 N N . ARG B 1 79 ? -6.970 34.975 1.264 1.00 48.72 ? 74 ARG B N 1 ATOM 1259 C CA . ARG B 1 79 ? -7.896 34.221 0.422 1.00 48.42 ? 74 ARG B CA 1 ATOM 1260 C C . ARG B 1 79 ? -7.164 33.044 -0.248 1.00 47.77 ? 74 ARG B C 1 ATOM 1261 O O . ARG B 1 79 ? -6.177 33.237 -0.966 1.00 44.99 ? 74 ARG B O 1 ATOM 1262 C CB . ARG B 1 79 ? -8.517 35.150 -0.628 1.00 53.64 ? 74 ARG B CB 1 ATOM 1263 C CG . ARG B 1 79 ? -9.634 34.565 -1.497 1.00 54.31 ? 74 ARG B CG 1 ATOM 1264 C CD . ARG B 1 79 ? -9.883 35.434 -2.724 1.00 57.06 ? 74 ARG B CD 1 ATOM 1265 N NE . ARG B 1 79 ? -10.568 36.705 -2.423 1.00 59.07 ? 74 ARG B NE 1 ATOM 1266 C CZ . ARG B 1 79 ? -10.884 37.631 -3.336 1.00 62.03 ? 74 ARG B CZ 1 ATOM 1267 N NH1 . ARG B 1 79 ? -10.580 37.456 -4.623 1.00 67.47 ? 74 ARG B NH1 1 ATOM 1268 N NH2 . ARG B 1 79 ? -11.517 38.739 -2.973 1.00 59.89 ? 74 ARG B NH2 1 ATOM 1269 N N . LEU B 1 80 ? -7.660 31.828 -0.015 1.00 47.28 ? 75 LEU B N 1 ATOM 1270 C CA . LEU B 1 80 ? -6.994 30.603 -0.471 1.00 46.53 ? 75 LEU B CA 1 ATOM 1271 C C . LEU B 1 80 ? -7.886 29.802 -1.373 1.00 48.81 ? 75 LEU B C 1 ATOM 1272 O O . LEU B 1 80 ? -9.088 29.665 -1.097 1.00 46.81 ? 75 LEU B O 1 ATOM 1273 C CB . LEU B 1 80 ? -6.602 29.722 0.713 1.00 45.31 ? 75 LEU B CB 1 ATOM 1274 C CG . LEU B 1 80 ? -5.725 30.403 1.755 1.00 42.65 ? 75 LEU B CG 1 ATOM 1275 C CD1 . LEU B 1 80 ? -5.656 29.599 3.033 1.00 39.52 ? 75 LEU B CD1 1 ATOM 1276 C CD2 . LEU B 1 80 ? -4.348 30.597 1.145 1.00 45.48 ? 75 LEU B CD2 1 ATOM 1277 N N . VAL B 1 81 ? -7.285 29.263 -2.440 1.00 51.56 ? 76 VAL B N 1 ATOM 1278 C CA . VAL B 1 81 ? -7.991 28.395 -3.395 1.00 50.15 ? 76 VAL B CA 1 ATOM 1279 C C . VAL B 1 81 ? -7.758 26.918 -3.077 1.00 51.12 ? 76 VAL B C 1 ATOM 1280 O O . VAL B 1 81 ? -6.616 26.489 -2.904 1.00 51.71 ? 76 VAL B O 1 ATOM 1281 C CB . VAL B 1 81 ? -7.688 28.741 -4.881 1.00 45.96 ? 76 VAL B CB 1 ATOM 1282 C CG1 . VAL B 1 81 ? -6.436 29.589 -5.019 1.00 42.56 ? 76 VAL B CG1 1 ATOM 1283 C CG2 . VAL B 1 81 ? -7.631 27.483 -5.751 1.00 45.46 ? 76 VAL B CG2 1 ATOM 1284 N N . ALA B 1 82 ? -8.858 26.170 -2.946 1.00 53.60 ? 77 ALA B N 1 ATOM 1285 C CA . ALA B 1 82 ? -8.811 24.717 -2.761 1.00 58.68 ? 77 ALA B CA 1 ATOM 1286 C C . ALA B 1 82 ? -8.799 24.027 -4.123 1.00 66.05 ? 77 ALA B C 1 ATOM 1287 O O . ALA B 1 82 ? -9.540 24.413 -5.043 1.00 69.10 ? 77 ALA B O 1 ATOM 1288 C CB . ALA B 1 82 ? -9.991 24.233 -1.939 1.00 53.48 ? 77 ALA B CB 1 ATOM 1289 N N . VAL B 1 83 ? -7.921 23.038 -4.251 1.00 68.62 ? 78 VAL B N 1 ATOM 1290 C CA . VAL B 1 83 ? -7.843 22.200 -5.441 1.00 65.56 ? 78 VAL B CA 1 ATOM 1291 C C . VAL B 1 83 ? -8.387 20.842 -5.008 1.00 67.25 ? 78 VAL B C 1 ATOM 1292 O O . VAL B 1 83 ? -7.831 20.174 -4.111 1.00 67.15 ? 78 VAL B O 1 ATOM 1293 C CB . VAL B 1 83 ? -6.399 22.079 -5.952 1.00 63.08 ? 78 VAL B CB 1 ATOM 1294 C CG1 . VAL B 1 83 ? -6.381 21.340 -7.276 1.00 60.50 ? 78 VAL B CG1 1 ATOM 1295 C CG2 . VAL B 1 83 ? -5.780 23.460 -6.094 1.00 61.43 ? 78 VAL B CG2 1 ATOM 1296 N N . PHE B 1 84 ? -9.502 20.451 -5.612 1.00 61.78 ? 79 PHE B N 1 ATOM 1297 C CA . PHE B 1 84 ? -10.316 19.394 -5.023 1.00 60.48 ? 79 PHE B CA 1 ATOM 1298 C C . PHE B 1 84 ? -11.075 18.648 -6.098 1.00 56.60 ? 79 PHE B C 1 ATOM 1299 O O . PHE B 1 84 ? -11.233 19.157 -7.209 1.00 50.89 ? 79 PHE B O 1 ATOM 1300 C CB . PHE B 1 84 ? -11.297 19.996 -3.977 1.00 58.46 ? 79 PHE B CB 1 ATOM 1301 C CG . PHE B 1 84 ? -12.435 20.794 -4.582 1.00 57.14 ? 79 PHE B CG 1 ATOM 1302 C CD1 . PHE B 1 84 ? -12.208 22.019 -5.210 1.00 60.54 ? 79 PHE B CD1 1 ATOM 1303 C CD2 . PHE B 1 84 ? -13.739 20.309 -4.550 1.00 56.94 ? 79 PHE B CD2 1 ATOM 1304 C CE1 . PHE B 1 84 ? -13.261 22.751 -5.782 1.00 60.59 ? 79 PHE B CE1 1 ATOM 1305 C CE2 . PHE B 1 84 ? -14.788 21.031 -5.124 1.00 56.76 ? 79 PHE B CE2 1 ATOM 1306 C CZ . PHE B 1 84 ? -14.556 22.258 -5.734 1.00 55.92 ? 79 PHE B CZ 1 ATOM 1307 N N . ASP B 1 85 ? -11.561 17.458 -5.751 1.00 61.19 ? 80 ASP B N 1 ATOM 1308 C CA . ASP B 1 85 ? -12.533 16.754 -6.593 1.00 66.13 ? 80 ASP B CA 1 ATOM 1309 C C . ASP B 1 85 ? -13.870 16.406 -5.912 1.00 68.77 ? 80 ASP B C 1 ATOM 1310 O O . ASP B 1 85 ? -13.907 16.047 -4.707 1.00 61.61 ? 80 ASP B O 1 ATOM 1311 C CB . ASP B 1 85 ? -11.897 15.516 -7.235 1.00 68.55 ? 80 ASP B CB 1 ATOM 1312 C CG . ASP B 1 85 ? -10.986 15.873 -8.395 1.00 62.83 ? 80 ASP B CG 1 ATOM 1313 O OD1 . ASP B 1 85 ? -11.500 16.249 -9.479 1.00 58.08 ? 80 ASP B OD1 1 ATOM 1314 O OD2 . ASP B 1 85 ? -9.755 15.789 -8.205 1.00 63.59 ? 80 ASP B OD2 1 ATOM 1315 N N . GLU B 1 86 ? -14.938 16.501 -6.724 1.00 69.69 ? 81 GLU B N 1 ATOM 1316 C CA . GLU B 1 86 ? -16.337 16.236 -6.322 1.00 73.36 ? 81 GLU B CA 1 ATOM 1317 C C . GLU B 1 86 ? -17.161 15.513 -7.413 1.00 69.18 ? 81 GLU B C 1 ATOM 1318 O O . GLU B 1 86 ? -18.170 14.847 -7.125 1.00 64.04 ? 81 GLU B O 1 ATOM 1319 C CB . GLU B 1 86 ? -17.036 17.548 -5.904 1.00 74.40 ? 81 GLU B CB 1 ATOM 1320 C CG . GLU B 1 86 ? -17.023 18.655 -6.961 1.00 72.63 ? 81 GLU B CG 1 ATOM 1321 C CD . GLU B 1 86 ? -17.835 19.902 -6.595 1.00 72.24 ? 81 GLU B CD 1 ATOM 1322 O OE1 . GLU B 1 86 ? -18.135 20.133 -5.397 1.00 60.25 ? 81 GLU B OE1 1 ATOM 1323 O OE2 . GLU B 1 86 ? -18.166 20.677 -7.531 1.00 73.02 ? 81 GLU B OE2 1 HETATM 1324 O O . HOH C 2 . ? 11.232 41.260 4.116 1.00 26.83 ? 101 HOH A O 1 HETATM 1325 O O . HOH C 2 . ? 0.775 39.166 0.984 1.00 45.95 ? 102 HOH A O 1 HETATM 1326 O O . HOH C 2 . ? 15.345 17.395 -14.053 1.00 37.02 ? 103 HOH A O 1 HETATM 1327 O O . HOH C 2 . ? 16.606 24.473 9.270 1.00 49.81 ? 104 HOH A O 1 HETATM 1328 O O . HOH C 2 . ? 16.482 10.425 -14.930 1.00 37.62 ? 105 HOH A O 1 HETATM 1329 O O . HOH C 2 . ? 10.845 27.464 -12.325 1.00 29.53 ? 106 HOH A O 1 HETATM 1330 O O . HOH C 2 . ? 23.464 28.010 -5.788 1.00 55.93 ? 107 HOH A O 1 HETATM 1331 O O . HOH C 2 . ? 20.150 28.636 9.264 1.00 50.92 ? 108 HOH A O 1 HETATM 1332 O O . HOH C 2 . ? 15.103 33.773 -13.495 1.00 31.63 ? 109 HOH A O 1 HETATM 1333 O O . HOH C 2 . ? 8.064 26.750 -16.021 1.00 41.40 ? 110 HOH A O 1 HETATM 1334 O O . HOH C 2 . ? 9.008 37.819 -5.526 1.00 32.42 ? 111 HOH A O 1 HETATM 1335 O O . HOH C 2 . ? 2.566 33.579 2.175 1.00 59.75 ? 112 HOH A O 1 HETATM 1336 O O . HOH C 2 . ? 13.824 1.868 -13.004 1.00 27.83 ? 113 HOH A O 1 HETATM 1337 O O . HOH D 2 . ? 2.928 34.060 7.689 1.00 40.35 ? 101 HOH B O 1 HETATM 1338 O O . HOH D 2 . ? 4.528 22.265 0.516 1.00 52.26 ? 102 HOH B O 1 HETATM 1339 O O . HOH D 2 . ? -3.842 28.584 16.892 1.00 45.44 ? 103 HOH B O 1 HETATM 1340 O O . HOH D 2 . ? -15.171 20.733 10.939 1.00 34.88 ? 104 HOH B O 1 HETATM 1341 O O . HOH D 2 . ? 0.415 35.209 9.138 1.00 34.36 ? 105 HOH B O 1 HETATM 1342 O O . HOH D 2 . ? 6.967 30.981 9.140 1.00 69.58 ? 106 HOH B O 1 HETATM 1343 O O . HOH D 2 . ? 1.377 23.014 15.460 1.00 48.51 ? 107 HOH B O 1 HETATM 1344 O O . HOH D 2 . ? -10.846 29.102 -6.711 1.00 49.70 ? 108 HOH B O 1 HETATM 1345 O O . HOH D 2 . ? -9.957 19.633 12.378 1.00 42.33 ? 109 HOH B O 1 HETATM 1346 O O . HOH D 2 . ? -7.755 17.255 6.181 1.00 45.67 ? 110 HOH B O 1 HETATM 1347 O O . HOH D 2 . ? -10.600 35.547 5.148 1.00 53.39 ? 111 HOH B O 1 HETATM 1348 O O . HOH D 2 . ? 3.070 25.465 17.621 1.00 45.69 ? 112 HOH B O 1 HETATM 1349 O O . HOH D 2 . ? -8.994 38.041 11.510 1.00 39.50 ? 113 HOH B O 1 HETATM 1350 O O . HOH D 2 . ? -21.019 30.703 -10.480 1.00 38.41 ? 114 HOH B O 1 HETATM 1351 O O . HOH D 2 . ? -22.929 13.405 2.455 1.00 43.67 ? 115 HOH B O 1 HETATM 1352 O O . HOH D 2 . ? -3.524 33.708 -1.406 1.00 38.97 ? 116 HOH B O 1 HETATM 1353 O O . HOH D 2 . ? 4.862 34.564 -5.247 1.00 43.40 ? 117 HOH B O 1 HETATM 1354 O O . HOH D 2 . ? -7.090 28.521 19.194 1.00 25.63 ? 118 HOH B O 1 HETATM 1355 O O . HOH D 2 . ? -20.668 20.684 11.758 0.50 47.64 ? 119 HOH B O 1 HETATM 1356 O O . HOH D 2 . ? -14.160 31.856 -5.936 1.00 51.69 ? 120 HOH B O 1 HETATM 1357 O O . HOH D 2 . ? -18.527 34.197 -4.021 1.00 28.02 ? 121 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 -4 ? ? ? A . n A 1 2 PRO 2 -3 ? ? ? A . n A 1 3 GLY 3 -2 ? ? ? A . n A 1 4 SER 4 -1 -1 SER SER A . n A 1 5 GLU 5 0 0 GLU GLU A . n A 1 6 PHE 6 1 1 PHE PHE A . n A 1 7 LYS 7 2 2 LYS LYS A . n A 1 8 VAL 8 3 3 VAL VAL A . n A 1 9 THR 9 4 4 THR THR A . n A 1 10 VAL 10 5 5 VAL VAL A . n A 1 11 CYS 11 6 6 CYS CYS A . n A 1 12 PHE 12 7 7 PHE PHE A . n A 1 13 GLY 13 8 8 GLY GLY A . n A 1 14 ARG 14 9 9 ARG ARG A . n A 1 15 THR 15 10 10 THR THR A . n A 1 16 ARG 16 11 11 ARG ARG A . n A 1 17 VAL 17 12 12 VAL VAL A . n A 1 18 VAL 18 13 13 VAL VAL A . n A 1 19 VAL 19 14 14 VAL VAL A . n A 1 20 PRO 20 15 15 PRO PRO A . n A 1 21 CYS 21 16 16 CYS CYS A . n A 1 22 GLY 22 17 17 GLY GLY A . n A 1 23 ASP 23 18 18 ASP ASP A . n A 1 24 GLY 24 19 19 GLY GLY A . n A 1 25 ARG 25 20 20 ARG ARG A . n A 1 26 MET 26 21 21 MET MET A . n A 1 27 LYS 27 22 22 LYS LYS A . n A 1 28 VAL 28 23 23 VAL VAL A . n A 1 29 PHE 29 24 24 PHE PHE A . n A 1 30 SER 30 25 25 SER SER A . n A 1 31 LEU 31 26 26 LEU LEU A . n A 1 32 ILE 32 27 27 ILE ILE A . n A 1 33 GLN 33 28 28 GLN GLN A . n A 1 34 GLN 34 29 29 GLN GLN A . n A 1 35 ALA 35 30 30 ALA ALA A . n A 1 36 VAL 36 31 31 VAL VAL A . n A 1 37 THR 37 32 32 THR THR A . n A 1 38 ARG 38 33 33 ARG ARG A . n A 1 39 TYR 39 34 34 TYR TYR A . n A 1 40 ARG 40 35 35 ARG ARG A . n A 1 41 LYS 41 36 36 LYS LYS A . n A 1 42 ALA 42 37 37 ALA ALA A . n A 1 43 VAL 43 38 38 VAL VAL A . n A 1 44 ALA 44 39 39 ALA ALA A . n A 1 45 LYS 45 40 40 LYS LYS A . n A 1 46 ASP 46 41 41 ASP ASP A . n A 1 47 PRO 47 42 42 PRO PRO A . n A 1 48 ASN 48 43 43 ASN ASN A . n A 1 49 TYR 49 44 44 TYR TYR A . n A 1 50 TRP 50 45 45 TRP TRP A . n A 1 51 ILE 51 46 46 ILE ILE A . n A 1 52 GLN 52 47 47 GLN GLN A . n A 1 53 VAL 53 48 48 VAL VAL A . n A 1 54 HIS 54 49 49 HIS HIS A . n A 1 55 ARG 55 50 50 ARG ARG A . n A 1 56 LEU 56 51 51 LEU LEU A . n A 1 57 GLU 57 52 52 GLU GLU A . n A 1 58 HIS 58 53 53 HIS HIS A . n A 1 59 GLY 59 54 54 GLY GLY A . n A 1 60 ASP 60 55 55 ASP ASP A . n A 1 61 GLY 61 56 56 GLY GLY A . n A 1 62 GLY 62 57 57 GLY GLY A . n A 1 63 ILE 63 58 58 ILE ILE A . n A 1 64 LEU 64 59 59 LEU LEU A . n A 1 65 ASP 65 60 60 ASP ASP A . n A 1 66 LEU 66 61 61 LEU LEU A . n A 1 67 ASP 67 62 62 ASP ASP A . n A 1 68 ASP 68 63 63 ASP ASP A . n A 1 69 ILE 69 64 64 ILE ILE A . n A 1 70 LEU 70 65 65 LEU LEU A . n A 1 71 CYS 71 66 66 CYS CYS A . n A 1 72 ASP 72 67 67 ASP ASP A . n A 1 73 VAL 73 68 68 VAL VAL A . n A 1 74 ALA 74 69 69 ALA ALA A . n A 1 75 ASP 75 70 70 ASP ASP A . n A 1 76 ASP 76 71 71 ASP ASP A . n A 1 77 LYS 77 72 72 LYS LYS A . n A 1 78 ASP 78 73 73 ASP ASP A . n A 1 79 ARG 79 74 74 ARG ARG A . n A 1 80 LEU 80 75 75 LEU LEU A . n A 1 81 VAL 81 76 76 VAL VAL A . n A 1 82 ALA 82 77 77 ALA ALA A . n A 1 83 VAL 83 78 78 VAL VAL A . n A 1 84 PHE 84 79 79 PHE PHE A . n A 1 85 ASP 85 80 80 ASP ASP A . n A 1 86 GLU 86 81 81 GLU GLU A . n A 1 87 GLN 87 82 82 GLN GLN A . n A 1 88 ASP 88 83 ? ? ? A . n B 1 1 GLY 1 -4 ? ? ? B . n B 1 2 PRO 2 -3 ? ? ? B . n B 1 3 GLY 3 -2 ? ? ? B . n B 1 4 SER 4 -1 ? ? ? B . n B 1 5 GLU 5 0 0 GLU GLU B . n B 1 6 PHE 6 1 1 PHE PHE B . n B 1 7 LYS 7 2 2 LYS LYS B . n B 1 8 VAL 8 3 3 VAL VAL B . n B 1 9 THR 9 4 4 THR THR B . n B 1 10 VAL 10 5 5 VAL VAL B . n B 1 11 CYS 11 6 6 CYS CYS B . n B 1 12 PHE 12 7 7 PHE PHE B . n B 1 13 GLY 13 8 8 GLY GLY B . n B 1 14 ARG 14 9 9 ARG ARG B . n B 1 15 THR 15 10 10 THR THR B . n B 1 16 ARG 16 11 11 ARG ARG B . n B 1 17 VAL 17 12 12 VAL VAL B . n B 1 18 VAL 18 13 13 VAL VAL B . n B 1 19 VAL 19 14 14 VAL VAL B . n B 1 20 PRO 20 15 15 PRO PRO B . n B 1 21 CYS 21 16 16 CYS CYS B . n B 1 22 GLY 22 17 17 GLY GLY B . n B 1 23 ASP 23 18 18 ASP ASP B . n B 1 24 GLY 24 19 19 GLY GLY B . n B 1 25 ARG 25 20 20 ARG ARG B . n B 1 26 MET 26 21 21 MET MET B . n B 1 27 LYS 27 22 22 LYS LYS B . n B 1 28 VAL 28 23 23 VAL VAL B . n B 1 29 PHE 29 24 24 PHE PHE B . n B 1 30 SER 30 25 25 SER SER B . n B 1 31 LEU 31 26 26 LEU LEU B . n B 1 32 ILE 32 27 27 ILE ILE B . n B 1 33 GLN 33 28 28 GLN GLN B . n B 1 34 GLN 34 29 29 GLN GLN B . n B 1 35 ALA 35 30 30 ALA ALA B . n B 1 36 VAL 36 31 31 VAL VAL B . n B 1 37 THR 37 32 32 THR THR B . n B 1 38 ARG 38 33 33 ARG ARG B . n B 1 39 TYR 39 34 34 TYR TYR B . n B 1 40 ARG 40 35 35 ARG ARG B . n B 1 41 LYS 41 36 36 LYS LYS B . n B 1 42 ALA 42 37 37 ALA ALA B . n B 1 43 VAL 43 38 38 VAL VAL B . n B 1 44 ALA 44 39 39 ALA ALA B . n B 1 45 LYS 45 40 40 LYS LYS B . n B 1 46 ASP 46 41 41 ASP ASP B . n B 1 47 PRO 47 42 42 PRO PRO B . n B 1 48 ASN 48 43 43 ASN ASN B . n B 1 49 TYR 49 44 44 TYR TYR B . n B 1 50 TRP 50 45 45 TRP TRP B . n B 1 51 ILE 51 46 46 ILE ILE B . n B 1 52 GLN 52 47 47 GLN GLN B . n B 1 53 VAL 53 48 48 VAL VAL B . n B 1 54 HIS 54 49 49 HIS HIS B . n B 1 55 ARG 55 50 50 ARG ARG B . n B 1 56 LEU 56 51 51 LEU LEU B . n B 1 57 GLU 57 52 52 GLU GLU B . n B 1 58 HIS 58 53 53 HIS HIS B . n B 1 59 GLY 59 54 54 GLY GLY B . n B 1 60 ASP 60 55 55 ASP ASP B . n B 1 61 GLY 61 56 56 GLY GLY B . n B 1 62 GLY 62 57 57 GLY GLY B . n B 1 63 ILE 63 58 58 ILE ILE B . n B 1 64 LEU 64 59 59 LEU LEU B . n B 1 65 ASP 65 60 60 ASP ASP B . n B 1 66 LEU 66 61 61 LEU LEU B . n B 1 67 ASP 67 62 62 ASP ASP B . n B 1 68 ASP 68 63 63 ASP ASP B . n B 1 69 ILE 69 64 64 ILE ILE B . n B 1 70 LEU 70 65 65 LEU LEU B . n B 1 71 CYS 71 66 66 CYS CYS B . n B 1 72 ASP 72 67 67 ASP ASP B . n B 1 73 VAL 73 68 68 VAL VAL B . n B 1 74 ALA 74 69 69 ALA ALA B . n B 1 75 ASP 75 70 70 ASP ASP B . n B 1 76 ASP 76 71 71 ASP ASP B . n B 1 77 LYS 77 72 72 LYS LYS B . n B 1 78 ASP 78 73 73 ASP ASP B . n B 1 79 ARG 79 74 74 ARG ARG B . n B 1 80 LEU 80 75 75 LEU LEU B . n B 1 81 VAL 81 76 76 VAL VAL B . n B 1 82 ALA 82 77 77 ALA ALA B . n B 1 83 VAL 83 78 78 VAL VAL B . n B 1 84 PHE 84 79 79 PHE PHE B . n B 1 85 ASP 85 80 80 ASP ASP B . n B 1 86 GLU 86 81 81 GLU GLU B . n B 1 87 GLN 87 82 ? ? ? B . n B 1 88 ASP 88 83 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 HOH 1 101 2 HOH HOH A . C 2 HOH 2 102 5 HOH HOH A . C 2 HOH 3 103 9 HOH HOH A . C 2 HOH 4 104 12 HOH HOH A . C 2 HOH 5 105 16 HOH HOH A . C 2 HOH 6 106 18 HOH HOH A . C 2 HOH 7 107 19 HOH HOH A . C 2 HOH 8 108 20 HOH HOH A . C 2 HOH 9 109 21 HOH HOH A . C 2 HOH 10 110 25 HOH HOH A . C 2 HOH 11 111 29 HOH HOH A . C 2 HOH 12 112 34 HOH HOH A . C 2 HOH 13 113 35 HOH HOH A . D 2 HOH 1 101 1 HOH HOH B . D 2 HOH 2 102 3 HOH HOH B . D 2 HOH 3 103 4 HOH HOH B . D 2 HOH 4 104 6 HOH HOH B . D 2 HOH 5 105 7 HOH HOH B . D 2 HOH 6 106 8 HOH HOH B . D 2 HOH 7 107 10 HOH HOH B . D 2 HOH 8 108 13 HOH HOH B . D 2 HOH 9 109 15 HOH HOH B . D 2 HOH 10 110 17 HOH HOH B . D 2 HOH 11 111 22 HOH HOH B . D 2 HOH 12 112 23 HOH HOH B . D 2 HOH 13 113 24 HOH HOH B . D 2 HOH 14 114 26 HOH HOH B . D 2 HOH 15 115 27 HOH HOH B . D 2 HOH 16 116 28 HOH HOH B . D 2 HOH 17 117 30 HOH HOH B . D 2 HOH 18 118 31 HOH HOH B . D 2 HOH 19 119 32 HOH HOH B . D 2 HOH 20 120 36 HOH HOH B . D 2 HOH 21 121 37 HOH HOH B . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? dimeric 2 2 author_and_software_defined_assembly PISA monomeric 1 3 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D 2 1 A,C 3 1 B,D # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id B _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 119 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id D _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-07-17 2 'Structure model' 1 1 2017-10-25 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Author supporting evidence' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 2 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category pdbx_struct_assembly_auth_evidence # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal ADSC 'data collection' Quantum ? 1 PHASER phasing . ? 2 REFMAC refinement 5.6.0117 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 39 ? ? 62.79 139.13 2 1 LYS A 40 ? ? -169.76 8.98 3 1 ALA B 39 ? ? 26.73 74.47 4 1 TYR B 44 ? ? -23.01 123.78 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLY -4 ? A GLY 1 2 1 Y 1 A PRO -3 ? A PRO 2 3 1 Y 1 A GLY -2 ? A GLY 3 4 1 Y 1 A ASP 83 ? A ASP 88 5 1 Y 1 B GLY -4 ? B GLY 1 6 1 Y 1 B PRO -3 ? B PRO 2 7 1 Y 1 B GLY -2 ? B GLY 3 8 1 Y 1 B SER -1 ? B SER 4 9 1 Y 1 B GLN 82 ? B GLN 87 10 1 Y 1 B ASP 83 ? B ASP 88 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support 'scanning transmission electron microscopy' _pdbx_struct_assembly_auth_evidence.details ? # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/4zey.cif ================================================ data_4ZEY # _entry.id 4ZEY # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.289 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4ZEY WWPDB D_1000209057 # _pdbx_database_related.db_name TargetTrack _pdbx_database_related.details . _pdbx_database_related.db_id JCSG-429611 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4ZEY _pdbx_database_status.recvd_initial_deposition_date 2015-04-20 _pdbx_database_status.SG_entry Y _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Joint Center for Structural Genomics (JCSG)' 1 'Partnership for Nuclear Receptor Signaling Code Biology (NHRS)' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To be published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Crystal structure of a nuclear receptor binding factor 2 MIT domain (NRBF2) from Homo sapiens at 1.50 A resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Joint Center for Structural Genomics (JCSG)' 1 primary 'Partnership for Nuclear Receptor Signaling Code Biology (NHRs)' 2 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 108.470 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 4ZEY _cell.details ? _cell.formula_units_Z ? _cell.length_a 48.480 _cell.length_a_esd ? _cell.length_b 34.050 _cell.length_b_esd ? _cell.length_c 52.340 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 4ZEY _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Nuclear receptor-binding factor 2' 9855.853 1 ? ? 'UNP residues 4-86' ? 2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 3 water nat water 18.015 102 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'NRBF-2,Comodulator of PPAR and RXR' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;G(MSE)EGPLNLAHQQSRRADRLLAAGKYEEAISCHKKAAAYLSEA(MSE)KLTQSEQAHLSLELQRDSH(MSE)KQLLL IQERWKRAQREERLKA ; _entity_poly.pdbx_seq_one_letter_code_can ;GMEGPLNLAHQQSRRADRLLAAGKYEEAISCHKKAAAYLSEAMKLTQSEQAHLSLELQRDSHMKQLLLIQERWKRAQREE RLKA ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier JCSG-429611 # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 MSE n 1 3 GLU n 1 4 GLY n 1 5 PRO n 1 6 LEU n 1 7 ASN n 1 8 LEU n 1 9 ALA n 1 10 HIS n 1 11 GLN n 1 12 GLN n 1 13 SER n 1 14 ARG n 1 15 ARG n 1 16 ALA n 1 17 ASP n 1 18 ARG n 1 19 LEU n 1 20 LEU n 1 21 ALA n 1 22 ALA n 1 23 GLY n 1 24 LYS n 1 25 TYR n 1 26 GLU n 1 27 GLU n 1 28 ALA n 1 29 ILE n 1 30 SER n 1 31 CYS n 1 32 HIS n 1 33 LYS n 1 34 LYS n 1 35 ALA n 1 36 ALA n 1 37 ALA n 1 38 TYR n 1 39 LEU n 1 40 SER n 1 41 GLU n 1 42 ALA n 1 43 MSE n 1 44 LYS n 1 45 LEU n 1 46 THR n 1 47 GLN n 1 48 SER n 1 49 GLU n 1 50 GLN n 1 51 ALA n 1 52 HIS n 1 53 LEU n 1 54 SER n 1 55 LEU n 1 56 GLU n 1 57 LEU n 1 58 GLN n 1 59 ARG n 1 60 ASP n 1 61 SER n 1 62 HIS n 1 63 MSE n 1 64 LYS n 1 65 GLN n 1 66 LEU n 1 67 LEU n 1 68 LEU n 1 69 ILE n 1 70 GLN n 1 71 GLU n 1 72 ARG n 1 73 TRP n 1 74 LYS n 1 75 ARG n 1 76 ALA n 1 77 GLN n 1 78 ARG n 1 79 GLU n 1 80 GLU n 1 81 ARG n 1 82 LEU n 1 83 LYS n 1 84 ALA n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 84 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'NRBF2, COPR' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia Coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain PB1 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type Plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name SpeedET _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NRBF2_HUMAN _struct_ref.pdbx_db_accession Q96F24 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;MEGPLNLAHQQSRRADRLLAAGKYEEAISCHKKAAAYLSEAMKLTQSEQAHLSLELQRDSHMKQLLLIQERWKRAQREER LKA ; _struct_ref.pdbx_align_begin 4 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4ZEY _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 2 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 84 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q96F24 _struct_ref_seq.db_align_beg 4 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 86 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 4 _struct_ref_seq.pdbx_auth_seq_align_end 86 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 4ZEY _struct_ref_seq_dif.mon_id GLY _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 1 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code Q96F24 _struct_ref_seq_dif.db_mon_id ? _struct_ref_seq_dif.pdbx_seq_db_seq_num ? _struct_ref_seq_dif.details 'LEADER SEQUENCE' _struct_ref_seq_dif.pdbx_auth_seq_num 0 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 Se' 196.106 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4ZEY _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.08 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 40.83 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '25.0% Glycerol, 1.50M ammonium sulfate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details 'Vertical focusing mirror; double crystal Si(111) monochromator' _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-12-05 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator 'double crystal Si(111)' _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol MAD _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # loop_ _diffrn_radiation_wavelength.id _diffrn_radiation_wavelength.wavelength _diffrn_radiation_wavelength.wt 1 0.95369 1.0 2 0.97968 1.0 3 0.97943 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRL BEAMLINE BL14-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.95369,0.97968,0.97943 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL14-1 _diffrn_source.pdbx_synchrotron_site SSRL # _reflns.B_iso_Wilson_estimate 17.415 _reflns.entry_id 4ZEY _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.50 _reflns.d_resolution_low 27.366 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 12873 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I -3.000 _reflns.percent_possible_obs 92.400 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs 0.984 _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 1.685 _reflns.pdbx_Rmerge_I_obs 0.092 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 7.560 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.128 _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 39652 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 1.500 1.550 ? 1.8 ? 3742 2425 ? 2234 92.100 ? ? 0.782 ? 0.392 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.538 ? ? 1 1 ? ? 1.550 1.620 ? 2.0 ? 4494 2851 ? 2661 93.300 ? ? 0.860 ? 0.320 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.439 ? ? 2 ? ? ? 1.620 1.690 ? 2.6 ? 3697 2353 ? 2188 93.000 ? ? 0.907 ? 0.252 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.346 ? ? 3 ? ? ? 1.690 1.780 ? 3.2 ? 4090 2605 ? 2432 93.400 ? ? 0.920 ? 0.215 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.297 ? ? 4 ? ? ? 1.780 1.890 ? 4.3 ? 3888 2510 ? 2319 92.400 ? ? 0.962 ? 0.153 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.211 ? ? 5 ? ? ? 1.890 2.040 ? 5.8 ? 3937 2586 ? 2363 91.400 ? ? 0.966 ? 0.122 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.171 ? ? 6 ? ? ? 2.040 2.240 ? 8.6 ? 3605 2467 ? 2193 88.900 ? ? 0.979 ? 0.086 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.121 ? ? 7 ? ? ? 2.240 2.560 ? 11.4 ? 3869 2542 ? 2305 90.700 ? ? 0.958 ? 0.102 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.143 ? ? 8 ? ? ? 2.560 3.230 ? 15.3 ? 4294 2580 ? 2491 96.600 ? ? 0.942 ? 0.111 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.155 ? ? 9 ? ? ? 3.230 ? ? 20.4 ? 4036 2555 ? 2341 91.600 ? ? 0.986 ? 0.057 ? ? ? ? ? ? ? ? ? ? ? ? ? 0.080 ? ? 10 ? ? ? # _refine.aniso_B[1][1] 1.4756 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.5040 _refine.aniso_B[2][2] -2.3193 _refine.aniso_B[2][3] 0.0000 _refine.aniso_B[3][3] 0.8436 _refine.B_iso_max 89.890 _refine.B_iso_mean 25.7253 _refine.B_iso_min 11.970 _refine.correlation_coeff_Fo_to_Fc 0.9483 _refine.correlation_coeff_Fo_to_Fc_free 0.9332 _refine.details ;1. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. 2. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4. THE MAD PHASES WERE USED AS RESTRAINTS DURING REFINEMENT ; _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4ZEY _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.5000 _refine.ls_d_res_low 27.366 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 12871 _refine.ls_number_reflns_R_free 618 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 97.9200 _refine.ls_percent_reflns_R_free 4.8000 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2107 _refine.ls_R_factor_R_free 0.2482 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2089 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max 1.000 _refine.occupancy_min 0.500 _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 4ZEY _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs 0.201 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 679 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 10 _refine_hist.number_atoms_solvent 102 _refine_hist.number_atoms_total 791 _refine_hist.d_res_high 1.5000 _refine_hist.d_res_low 27.366 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? ? ? 357 ? t_dihedral_angle_d 2.000 SINUSOIDAL 'X-RAY DIFFRACTION' ? ? ? 21 ? t_trig_c_planes 2.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 100 ? t_gen_planes 5.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 702 ? t_it 20.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_nbd ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_improper_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_pseud_angle ? ? 'X-RAY DIFFRACTION' ? ? ? 85 ? t_chiral_improper_torsion 5.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_sum_occupancies ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_distance ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_angle ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 907 ? t_ideal_dist_contact 4.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? 0.010 ? 702 ? t_bond_d 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 0.900 ? 938 ? t_angle_deg 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 2.490 ? ? ? t_omega_torsion ? ? 'X-RAY DIFFRACTION' ? 2.490 ? ? ? t_other_torsion ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.5000 _refine_ls_shell.d_res_low 1.6400 _refine_ls_shell.number_reflns_all 3063 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 144 _refine_ls_shell.number_reflns_R_work 2919 _refine_ls_shell.percent_reflns_obs 97.9200 _refine_ls_shell.percent_reflns_R_free 4.7000 _refine_ls_shell.R_factor_all 0.1886 _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.1999 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.1881 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 4ZEY _struct.title 'Crystal structure of a nuclear receptor binding factor 2 MIT domain (NRBF2) from Homo sapiens at 1.50 A resolution' _struct.pdbx_descriptor 'nuclear receptor binding factor 2 MIT domain' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4ZEY _struct_keywords.text ;Structural Genomics, Joint Center for Structural Genomics, JCSG, Partnership for Nuclear Receptor Signaling Code Biology, NHRs, PSI-BIOLOGY, TRANSCRIPTION REGULATOR ; _struct_keywords.pdbx_keywords 'TRANSCRIPTION REGULATOR' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLY A 4 ? ALA A 22 ? GLY A 6 ALA A 24 1 ? 19 HELX_P HELX_P2 AA2 LYS A 24 ? LYS A 44 ? LYS A 26 LYS A 46 1 ? 21 HELX_P HELX_P3 AA3 SER A 48 ? ALA A 84 ? SER A 50 ALA A 86 1 ? 37 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order covale1 covale both ? A GLY 1 C ? ? ? 1_555 A MSE 2 N ? ? A GLY 0 A MSE 4 1_555 ? ? ? ? ? ? ? 1.359 ? covale2 covale both ? A MSE 2 C ? ? ? 1_555 A GLU 3 N ? ? A MSE 4 A GLU 5 1_555 ? ? ? ? ? ? ? 1.348 ? covale3 covale both ? A ALA 42 C ? ? ? 1_555 A MSE 43 N ? ? A ALA 44 A MSE 45 1_555 ? ? ? ? ? ? ? 1.338 ? covale4 covale both ? A MSE 43 C ? ? ? 1_555 A LYS 44 N ? ? A MSE 45 A LYS 46 1_555 ? ? ? ? ? ? ? 1.341 ? covale5 covale both ? A HIS 62 C ? ? ? 1_555 A MSE 63 N ? ? A HIS 64 A MSE 65 1_555 ? ? ? ? ? ? ? 1.360 ? covale6 covale both ? A MSE 63 C ? ? ? 1_555 A LYS 64 N ? ? A MSE 65 A LYS 66 1_555 ? ? ? ? ? ? ? 1.354 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A SO4 401 ? 6 'binding site for residue SO4 A 401' AC2 Software A SO4 402 ? 6 'binding site for residue SO4 A 402' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 HIS A 10 ? HIS A 12 . ? 2_555 ? 2 AC1 6 HIS A 10 ? HIS A 12 . ? 1_555 ? 3 AC1 6 SER A 13 ? SER A 15 . ? 1_555 ? 4 AC1 6 SER A 13 ? SER A 15 . ? 2_555 ? 5 AC1 6 HOH D . ? HOH A 548 . ? 2_555 ? 6 AC1 6 HOH D . ? HOH A 548 . ? 1_555 ? 7 AC2 6 TRP A 73 ? TRP A 75 . ? 1_555 ? 8 AC2 6 GLN A 77 ? GLN A 79 . ? 2_554 ? 9 AC2 6 GLN A 77 ? GLN A 79 . ? 1_555 ? 10 AC2 6 HOH D . ? HOH A 504 . ? 1_555 ? 11 AC2 6 HOH D . ? HOH A 552 . ? 1_555 ? 12 AC2 6 HOH D . ? HOH A 552 . ? 2_554 ? # _atom_sites.entry_id 4ZEY _atom_sites.fract_transf_matrix[1][1] 0.020627 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.006890 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.029369 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.020143 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S SE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 1 ? 4.415 25.417 3.156 1.00 35.18 ? 0 GLY A N 1 ATOM 2 C CA . GLY A 1 1 ? 5.628 25.895 3.810 1.00 33.90 ? 0 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? 6.695 24.824 3.907 1.00 33.71 ? 0 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? 6.852 24.028 2.975 1.00 33.62 ? 0 GLY A O 1 HETATM 5 N N . MSE A 1 2 ? 7.404 24.778 5.065 1.00 26.46 ? 4 MSE A N 1 HETATM 6 C CA . MSE A 1 2 ? 8.488 23.827 5.435 1.00 23.32 ? 4 MSE A CA 1 HETATM 7 C C . MSE A 1 2 ? 8.267 22.411 4.953 1.00 25.90 ? 4 MSE A C 1 HETATM 8 O O . MSE A 1 2 ? 7.136 21.901 5.010 1.00 24.82 ? 4 MSE A O 1 HETATM 9 C CB . MSE A 1 2 ? 8.579 23.745 6.957 1.00 24.88 ? 4 MSE A CB 1 HETATM 10 C CG . MSE A 1 2 ? 9.481 24.754 7.566 1.00 30.11 ? 4 MSE A CG 1 HETATM 11 SE SE . MSE A 1 2 ? 9.630 24.320 9.473 0.75 35.01 ? 4 MSE A SE 1 HETATM 12 C CE . MSE A 1 2 ? 7.886 24.941 10.107 1.00 32.34 ? 4 MSE A CE 1 ATOM 13 N N . GLU A 1 3 ? 9.363 21.728 4.566 1.00 20.28 ? 5 GLU A N 1 ATOM 14 C CA . GLU A 1 3 ? 9.268 20.349 4.111 1.00 18.98 ? 5 GLU A CA 1 ATOM 15 C C . GLU A 1 3 ? 10.349 19.487 4.720 1.00 20.86 ? 5 GLU A C 1 ATOM 16 O O . GLU A 1 3 ? 11.535 19.792 4.577 1.00 20.23 ? 5 GLU A O 1 ATOM 17 C CB . GLU A 1 3 ? 9.356 20.262 2.567 1.00 20.58 ? 5 GLU A CB 1 ATOM 18 C CG . GLU A 1 3 ? 8.243 20.971 1.821 1.00 30.57 ? 5 GLU A CG 1 ATOM 19 C CD . GLU A 1 3 ? 8.465 21.095 0.322 1.00 46.03 ? 5 GLU A CD 1 ATOM 20 O OE1 . GLU A 1 3 ? 9.567 20.744 -0.161 1.00 31.60 ? 5 GLU A OE1 1 ATOM 21 O OE2 . GLU A 1 3 ? 7.537 21.570 -0.370 1.00 43.45 ? 5 GLU A OE2 1 ATOM 22 N N . GLY A 1 4 ? 9.919 18.456 5.437 1.00 17.97 ? 6 GLY A N 1 ATOM 23 C CA . GLY A 1 4 ? 10.765 17.406 5.994 1.00 16.42 ? 6 GLY A CA 1 ATOM 24 C C . GLY A 1 4 ? 10.641 16.205 5.073 1.00 19.39 ? 6 GLY A C 1 ATOM 25 O O . GLY A 1 4 ? 9.918 16.299 4.069 1.00 17.75 ? 6 GLY A O 1 ATOM 26 N N . PRO A 1 5 ? 11.320 15.055 5.336 1.00 17.76 ? 7 PRO A N 1 ATOM 27 C CA . PRO A 1 5 ? 11.282 13.947 4.361 1.00 17.31 ? 7 PRO A CA 1 ATOM 28 C C . PRO A 1 5 ? 9.910 13.272 4.204 1.00 17.42 ? 7 PRO A C 1 ATOM 29 O O . PRO A 1 5 ? 9.587 12.855 3.097 1.00 16.91 ? 7 PRO A O 1 ATOM 30 C CB . PRO A 1 5 ? 12.331 12.970 4.894 1.00 19.65 ? 7 PRO A CB 1 ATOM 31 C CG . PRO A 1 5 ? 12.438 13.279 6.350 1.00 25.11 ? 7 PRO A CG 1 ATOM 32 C CD . PRO A 1 5 ? 12.271 14.764 6.426 1.00 21.06 ? 7 PRO A CD 1 ATOM 33 N N . LEU A 1 6 ? 9.111 13.185 5.270 1.00 16.90 ? 8 LEU A N 1 ATOM 34 C CA . LEU A 1 6 ? 7.789 12.589 5.146 1.00 15.18 ? 8 LEU A CA 1 ATOM 35 C C . LEU A 1 6 ? 6.906 13.476 4.229 1.00 19.93 ? 8 LEU A C 1 ATOM 36 O O . LEU A 1 6 ? 6.242 12.937 3.334 1.00 18.18 ? 8 LEU A O 1 ATOM 37 C CB . LEU A 1 6 ? 7.180 12.398 6.547 1.00 15.05 ? 8 LEU A CB 1 ATOM 38 C CG . LEU A 1 6 ? 5.802 11.721 6.572 1.00 19.26 ? 8 LEU A CG 1 ATOM 39 C CD1 . LEU A 1 6 ? 5.818 10.429 5.776 1.00 19.63 ? 8 LEU A CD1 1 ATOM 40 C CD2 . LEU A 1 6 ? 5.361 11.502 7.999 1.00 20.99 ? 8 LEU A CD2 1 ATOM 41 N N . ASN A 1 7 ? 6.980 14.829 4.385 1.00 17.65 ? 9 ASN A N 1 ATOM 42 C CA . ASN A 1 7 ? 6.254 15.785 3.538 1.00 17.86 ? 9 ASN A CA 1 ATOM 43 C C . ASN A 1 7 ? 6.711 15.579 2.082 1.00 19.70 ? 9 ASN A C 1 ATOM 44 O O . ASN A 1 7 ? 5.877 15.501 1.174 1.00 18.07 ? 9 ASN A O 1 ATOM 45 C CB . ASN A 1 7 ? 6.486 17.231 4.009 1.00 21.44 ? 9 ASN A CB 1 ATOM 46 C CG . ASN A 1 7 ? 5.782 18.320 3.218 1.00 47.83 ? 9 ASN A CG 1 ATOM 47 O OD1 . ASN A 1 7 ? 5.960 18.477 2.006 1.00 43.53 ? 9 ASN A OD1 1 ATOM 48 N ND2 . ASN A 1 7 ? 5.032 19.163 3.906 1.00 41.61 ? 9 ASN A ND2 1 ATOM 49 N N . LEU A 1 8 ? 8.051 15.433 1.857 1.00 14.90 ? 10 LEU A N 1 ATOM 50 C CA . LEU A 1 8 ? 8.505 15.221 0.485 1.00 14.61 ? 10 LEU A CA 1 ATOM 51 C C . LEU A 1 8 ? 8.025 13.873 -0.113 1.00 15.99 ? 10 LEU A C 1 ATOM 52 O O . LEU A 1 8 ? 7.720 13.818 -1.303 1.00 16.28 ? 10 LEU A O 1 ATOM 53 C CB . LEU A 1 8 ? 10.028 15.330 0.437 1.00 15.42 ? 10 LEU A CB 1 ATOM 54 C CG . LEU A 1 8 ? 10.557 16.758 0.398 1.00 22.77 ? 10 LEU A CG 1 ATOM 55 C CD1 . LEU A 1 8 ? 12.092 16.753 0.426 1.00 23.56 ? 10 LEU A CD1 1 ATOM 56 C CD2 . LEU A 1 8 ? 10.134 17.484 -0.885 1.00 28.95 ? 10 LEU A CD2 1 ATOM 57 N N . ALA A 1 9 ? 7.920 12.804 0.709 1.00 15.20 ? 11 ALA A N 1 ATOM 58 C CA . ALA A 1 9 ? 7.459 11.494 0.247 1.00 15.83 ? 11 ALA A CA 1 ATOM 59 C C . ALA A 1 9 ? 6.000 11.597 -0.226 1.00 15.34 ? 11 ALA A C 1 ATOM 60 O O . ALA A 1 9 ? 5.677 11.168 -1.339 1.00 15.26 ? 11 ALA A O 1 ATOM 61 C CB . ALA A 1 9 ? 7.573 10.465 1.371 1.00 16.78 ? 11 ALA A CB 1 ATOM 62 N N . HIS A 1 10 ? 5.188 12.306 0.552 1.00 14.19 ? 12 HIS A N 1 ATOM 63 C CA . HIS A 1 10 ? 3.792 12.549 0.231 1.00 13.20 ? 12 HIS A CA 1 ATOM 64 C C . HIS A 1 10 ? 3.685 13.420 -1.040 1.00 17.53 ? 12 HIS A C 1 ATOM 65 O O . HIS A 1 10 ? 2.838 13.144 -1.883 1.00 18.09 ? 12 HIS A O 1 ATOM 66 C CB . HIS A 1 10 ? 3.096 13.205 1.429 1.00 13.24 ? 12 HIS A CB 1 ATOM 67 C CG . HIS A 1 10 ? 2.822 12.259 2.546 1.00 16.05 ? 12 HIS A CG 1 ATOM 68 N ND1 . HIS A 1 10 ? 2.035 11.134 2.361 1.00 18.40 ? 12 HIS A ND1 1 ATOM 69 C CD2 . HIS A 1 10 ? 3.126 12.367 3.858 1.00 18.49 ? 12 HIS A CD2 1 ATOM 70 C CE1 . HIS A 1 10 ? 1.947 10.552 3.547 1.00 17.35 ? 12 HIS A CE1 1 ATOM 71 N NE2 . HIS A 1 10 ? 2.588 11.251 4.480 1.00 18.15 ? 12 HIS A NE2 1 ATOM 72 N N . GLN A 1 11 ? 4.559 14.432 -1.204 1.00 14.16 ? 13 GLN A N 1 ATOM 73 C CA . GLN A 1 11 ? 4.571 15.265 -2.403 1.00 14.47 ? 13 GLN A CA 1 ATOM 74 C C . GLN A 1 11 ? 4.895 14.394 -3.626 1.00 15.92 ? 13 GLN A C 1 ATOM 75 O O . GLN A 1 11 ? 4.301 14.578 -4.688 1.00 16.97 ? 13 GLN A O 1 ATOM 76 C CB . GLN A 1 11 ? 5.602 16.404 -2.255 1.00 16.90 ? 13 GLN A CB 1 ATOM 77 C CG . GLN A 1 11 ? 5.620 17.390 -3.442 1.00 28.70 ? 13 GLN A CG 1 ATOM 78 C CD . GLN A 1 11 ? 6.824 18.324 -3.500 1.00 61.82 ? 13 GLN A CD 1 ATOM 79 O OE1 . GLN A 1 11 ? 7.400 18.741 -2.484 1.00 56.13 ? 13 GLN A OE1 1 ATOM 80 N NE2 . GLN A 1 11 ? 7.195 18.724 -4.709 1.00 61.61 ? 13 GLN A NE2 1 ATOM 81 N N . GLN A 1 12 ? 5.899 13.503 -3.519 1.00 13.04 ? 14 GLN A N 1 ATOM 82 C CA . GLN A 1 12 ? 6.203 12.664 -4.665 1.00 13.15 ? 14 GLN A CA 1 ATOM 83 C C . GLN A 1 12 ? 5.048 11.716 -4.986 1.00 17.09 ? 14 GLN A C 1 ATOM 84 O O . GLN A 1 12 ? 4.839 11.364 -6.150 1.00 16.34 ? 14 GLN A O 1 ATOM 85 C CB . GLN A 1 12 ? 7.485 11.861 -4.417 1.00 14.77 ? 14 GLN A CB 1 ATOM 86 C CG . GLN A 1 12 ? 8.758 12.701 -4.358 1.00 19.47 ? 14 GLN A CG 1 ATOM 87 C CD . GLN A 1 12 ? 9.040 13.309 -5.713 1.00 24.59 ? 14 GLN A CD 1 ATOM 88 O OE1 . GLN A 1 12 ? 9.086 12.622 -6.735 1.00 25.39 ? 14 GLN A OE1 1 ATOM 89 N NE2 . GLN A 1 12 ? 9.136 14.614 -5.758 1.00 30.36 ? 14 GLN A NE2 1 ATOM 90 N N . SER A 1 13 ? 4.356 11.242 -3.954 1.00 15.05 ? 15 SER A N 1 ATOM 91 C CA . SER A 1 13 ? 3.253 10.334 -4.185 1.00 13.89 ? 15 SER A CA 1 ATOM 92 C C . SER A 1 13 ? 2.112 11.031 -4.951 1.00 18.94 ? 15 SER A C 1 ATOM 93 O O . SER A 1 13 ? 1.606 10.452 -5.911 1.00 17.59 ? 15 SER A O 1 ATOM 94 C CB . SER A 1 13 ? 2.788 9.757 -2.861 1.00 15.16 ? 15 SER A CB 1 ATOM 95 O OG . SER A 1 13 ? 1.822 8.747 -3.062 1.00 17.33 ? 15 SER A OG 1 ATOM 96 N N . ARG A 1 14 ? 1.805 12.304 -4.611 1.00 18.10 ? 16 ARG A N 1 ATOM 97 C CA . ARG A 1 14 ? 0.797 13.104 -5.308 1.00 19.27 ? 16 ARG A CA 1 ATOM 98 C C . ARG A 1 14 ? 1.195 13.341 -6.763 1.00 20.67 ? 16 ARG A C 1 ATOM 99 O O . ARG A 1 14 ? 0.388 13.141 -7.661 1.00 22.13 ? 16 ARG A O 1 ATOM 100 C CB . ARG A 1 14 ? 0.575 14.469 -4.634 1.00 20.53 ? 16 ARG A CB 1 ATOM 101 C CG . ARG A 1 14 ? 0.087 14.411 -3.187 1.00 27.77 ? 16 ARG A CG 1 ATOM 102 C CD . ARG A 1 14 ? -0.354 15.774 -2.682 1.00 35.82 ? 16 ARG A CD 1 ATOM 103 N NE . ARG A 1 14 ? 0.698 16.795 -2.718 1.00 39.76 ? 16 ARG A NE 1 ATOM 104 C CZ . ARG A 1 14 ? 1.514 17.078 -1.703 1.00 53.16 ? 16 ARG A CZ 1 ATOM 105 N NH1 . ARG A 1 14 ? 1.445 16.388 -0.574 1.00 38.91 ? 16 ARG A NH1 1 ATOM 106 N NH2 . ARG A 1 14 ? 2.430 18.031 -1.826 1.00 41.36 ? 16 ARG A NH2 1 ATOM 107 N N . ARG A 1 15 ? 2.481 13.684 -6.994 1.00 16.84 ? 17 ARG A N 1 ATOM 108 C CA . ARG A 1 15 ? 3.002 13.928 -8.332 1.00 16.87 ? 17 ARG A CA 1 ATOM 109 C C . ARG A 1 15 ? 2.929 12.640 -9.196 1.00 21.15 ? 17 ARG A C 1 ATOM 110 O O . ARG A 1 15 ? 2.587 12.730 -10.368 1.00 19.13 ? 17 ARG A O 1 ATOM 111 C CB . ARG A 1 15 ? 4.454 14.443 -8.209 1.00 18.20 ? 17 ARG A CB 1 ATOM 112 C CG . ARG A 1 15 ? 5.171 14.773 -9.541 1.00 31.37 ? 17 ARG A CG 1 ATOM 113 C CD . ARG A 1 15 ? 4.603 15.962 -10.289 1.00 50.77 ? 17 ARG A CD 1 ATOM 114 N NE . ARG A 1 15 ? 5.378 16.261 -11.496 1.00 64.04 ? 17 ARG A NE 1 ATOM 115 C CZ . ARG A 1 15 ? 4.927 16.976 -12.523 1.00 82.32 ? 17 ARG A CZ 1 ATOM 116 N NH1 . ARG A 1 15 ? 3.691 17.466 -12.510 1.00 69.35 ? 17 ARG A NH1 1 ATOM 117 N NH2 . ARG A 1 15 ? 5.702 17.194 -13.577 1.00 71.96 ? 17 ARG A NH2 1 ATOM 118 N N . ALA A 1 16 ? 3.182 11.454 -8.605 1.00 17.10 ? 18 ALA A N 1 ATOM 119 C CA . ALA A 1 16 ? 3.180 10.168 -9.322 1.00 16.80 ? 18 ALA A CA 1 ATOM 120 C C . ALA A 1 16 ? 1.807 9.865 -9.937 1.00 18.79 ? 18 ALA A C 1 ATOM 121 O O . ALA A 1 16 ? 1.750 9.449 -11.097 1.00 16.38 ? 18 ALA A O 1 ATOM 122 C CB . ALA A 1 16 ? 3.593 9.027 -8.384 1.00 17.83 ? 18 ALA A CB 1 ATOM 123 N N . ASP A 1 17 ? 0.705 10.162 -9.205 1.00 15.73 ? 19 ASP A N 1 ATOM 124 C CA . ASP A 1 17 ? -0.660 9.965 -9.701 1.00 15.34 ? 19 ASP A CA 1 ATOM 125 C C . ASP A 1 17 ? -0.915 10.852 -10.922 1.00 19.96 ? 19 ASP A C 1 ATOM 126 O O . ASP A 1 17 ? -1.478 10.372 -11.902 1.00 20.47 ? 19 ASP A O 1 ATOM 127 C CB . ASP A 1 17 ? -1.707 10.244 -8.607 1.00 17.16 ? 19 ASP A CB 1 ATOM 128 C CG . ASP A 1 17 ? -1.705 9.195 -7.510 1.00 23.49 ? 19 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 17 ? -1.040 8.158 -7.684 1.00 21.46 ? 19 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 17 ? -2.332 9.434 -6.454 1.00 25.09 ? 19 ASP A OD2 1 ATOM 131 N N . ARG A 1 18 ? -0.484 12.142 -10.855 1.00 17.74 ? 20 ARG A N 1 ATOM 132 C CA . ARG A 1 18 ? -0.625 13.120 -11.946 1.00 18.84 ? 20 ARG A CA 1 ATOM 133 C C . ARG A 1 18 ? 0.092 12.617 -13.190 1.00 21.08 ? 20 ARG A C 1 ATOM 134 O O . ARG A 1 18 ? -0.470 12.583 -14.288 1.00 20.08 ? 20 ARG A O 1 ATOM 135 C CB . ARG A 1 18 ? -0.050 14.491 -11.554 1.00 20.10 ? 20 ARG A CB 1 ATOM 136 C CG . ARG A 1 18 ? -0.839 15.209 -10.462 1.00 31.75 ? 20 ARG A CG 1 ATOM 137 C CD . ARG A 1 18 ? -0.434 16.665 -10.323 1.00 55.78 ? 20 ARG A CD 1 ATOM 138 N NE . ARG A 1 18 ? -1.300 17.376 -9.378 1.00 74.19 ? 20 ARG A NE 1 ATOM 139 C CZ . ARG A 1 18 ? -1.046 17.519 -8.081 1.00 89.89 ? 20 ARG A CZ 1 ATOM 140 N NH1 . ARG A 1 18 ? 0.063 17.012 -7.555 1.00 77.64 ? 20 ARG A NH1 1 ATOM 141 N NH2 . ARG A 1 18 ? -1.895 18.174 -7.300 1.00 77.10 ? 20 ARG A NH2 1 ATOM 142 N N . LEU A 1 19 ? 1.355 12.218 -13.001 1.00 18.00 ? 21 LEU A N 1 ATOM 143 C CA . LEU A 1 19 ? 2.134 11.751 -14.135 1.00 17.88 ? 21 LEU A CA 1 ATOM 144 C C . LEU A 1 19 ? 1.580 10.476 -14.746 1.00 19.79 ? 21 LEU A C 1 ATOM 145 O O . LEU A 1 19 ? 1.539 10.378 -15.978 1.00 20.06 ? 21 LEU A O 1 ATOM 146 C CB . LEU A 1 19 ? 3.584 11.539 -13.708 1.00 17.69 ? 21 LEU A CB 1 ATOM 147 C CG . LEU A 1 19 ? 4.360 12.783 -13.271 1.00 22.39 ? 21 LEU A CG 1 ATOM 148 C CD1 . LEU A 1 19 ? 5.531 12.394 -12.437 1.00 21.41 ? 21 LEU A CD1 1 ATOM 149 C CD2 . LEU A 1 19 ? 4.833 13.616 -14.502 1.00 25.08 ? 21 LEU A CD2 1 ATOM 150 N N . LEU A 1 20 ? 1.142 9.504 -13.913 1.00 16.63 ? 22 LEU A N 1 ATOM 151 C CA . LEU A 1 20 ? 0.619 8.246 -14.429 1.00 15.11 ? 22 LEU A CA 1 ATOM 152 C C . LEU A 1 20 ? -0.659 8.472 -15.230 1.00 18.16 ? 22 LEU A C 1 ATOM 153 O O . LEU A 1 20 ? -0.822 7.857 -16.281 1.00 18.83 ? 22 LEU A O 1 ATOM 154 C CB . LEU A 1 20 ? 0.375 7.262 -13.272 1.00 14.15 ? 22 LEU A CB 1 ATOM 155 C CG . LEU A 1 20 ? -0.102 5.876 -13.644 1.00 16.86 ? 22 LEU A CG 1 ATOM 156 C CD1 . LEU A 1 20 ? 0.979 5.089 -14.419 1.00 16.54 ? 22 LEU A CD1 1 ATOM 157 C CD2 . LEU A 1 20 ? -0.473 5.104 -12.388 1.00 15.28 ? 22 LEU A CD2 1 ATOM 158 N N . ALA A 1 21 ? -1.547 9.392 -14.757 1.00 18.24 ? 23 ALA A N 1 ATOM 159 C CA . ALA A 1 21 ? -2.786 9.728 -15.467 1.00 18.49 ? 23 ALA A CA 1 ATOM 160 C C . ALA A 1 21 ? -2.459 10.349 -16.852 1.00 21.15 ? 23 ALA A C 1 ATOM 161 O O . ALA A 1 21 ? -3.225 10.207 -17.783 1.00 22.40 ? 23 ALA A O 1 ATOM 162 C CB . ALA A 1 21 ? -3.626 10.698 -14.643 1.00 19.53 ? 23 ALA A CB 1 ATOM 163 N N . ALA A 1 22 ? -1.313 11.025 -16.962 1.00 17.85 ? 24 ALA A N 1 ATOM 164 C CA . ALA A 1 22 ? -0.851 11.643 -18.225 1.00 18.99 ? 24 ALA A CA 1 ATOM 165 C C . ALA A 1 22 ? -0.123 10.629 -19.153 1.00 23.39 ? 24 ALA A C 1 ATOM 166 O O . ALA A 1 22 ? 0.276 10.998 -20.268 1.00 22.27 ? 24 ALA A O 1 ATOM 167 C CB . ALA A 1 22 ? 0.080 12.794 -17.896 1.00 20.39 ? 24 ALA A CB 1 ATOM 168 N N . GLY A 1 23 ? 0.036 9.382 -18.705 1.00 19.03 ? 25 GLY A N 1 ATOM 169 C CA . GLY A 1 23 ? 0.719 8.342 -19.475 1.00 19.47 ? 25 GLY A CA 1 ATOM 170 C C . GLY A 1 23 ? 2.236 8.422 -19.363 1.00 21.57 ? 25 GLY A C 1 ATOM 171 O O . GLY A 1 23 ? 2.948 7.789 -20.148 1.00 21.47 ? 25 GLY A O 1 ATOM 172 N N . LYS A 1 24 ? 2.743 9.144 -18.333 1.00 18.70 ? 26 LYS A N 1 ATOM 173 C CA . LYS A 1 24 ? 4.179 9.316 -18.133 1.00 19.14 ? 26 LYS A CA 1 ATOM 174 C C . LYS A 1 24 ? 4.640 8.265 -17.141 1.00 19.73 ? 26 LYS A C 1 ATOM 175 O O . LYS A 1 24 ? 4.858 8.556 -15.969 1.00 18.13 ? 26 LYS A O 1 ATOM 176 C CB . LYS A 1 24 ? 4.503 10.750 -17.672 1.00 22.12 ? 26 LYS A CB 1 ATOM 177 C CG . LYS A 1 24 ? 4.158 11.800 -18.717 1.00 31.15 ? 26 LYS A CG 1 ATOM 178 C CD . LYS A 1 24 ? 4.420 13.206 -18.235 1.00 40.62 ? 26 LYS A CD 1 ATOM 179 C CE . LYS A 1 24 ? 4.341 14.197 -19.372 1.00 51.82 ? 26 LYS A CE 1 ATOM 180 N NZ . LYS A 1 24 ? 4.751 15.554 -18.939 1.00 62.33 ? 26 LYS A NZ 1 ATOM 181 N N . TYR A 1 25 ? 4.747 7.017 -17.619 1.00 17.82 ? 27 TYR A N 1 ATOM 182 C CA . TYR A 1 25 ? 5.053 5.823 -16.801 1.00 16.80 ? 27 TYR A CA 1 ATOM 183 C C . TYR A 1 25 ? 6.396 5.888 -16.097 1.00 17.51 ? 27 TYR A C 1 ATOM 184 O O . TYR A 1 25 ? 6.452 5.668 -14.874 1.00 15.99 ? 27 TYR A O 1 ATOM 185 C CB . TYR A 1 25 ? 5.030 4.554 -17.680 1.00 16.50 ? 27 TYR A CB 1 ATOM 186 C CG . TYR A 1 25 ? 3.632 4.206 -18.141 1.00 15.54 ? 27 TYR A CG 1 ATOM 187 C CD1 . TYR A 1 25 ? 2.783 3.440 -17.345 1.00 16.45 ? 27 TYR A CD1 1 ATOM 188 C CD2 . TYR A 1 25 ? 3.187 4.569 -19.415 1.00 15.90 ? 27 TYR A CD2 1 ATOM 189 C CE1 . TYR A 1 25 ? 1.497 3.109 -17.771 1.00 17.73 ? 27 TYR A CE1 1 ATOM 190 C CE2 . TYR A 1 25 ? 1.886 4.304 -19.821 1.00 16.74 ? 27 TYR A CE2 1 ATOM 191 C CZ . TYR A 1 25 ? 1.074 3.500 -19.038 1.00 17.68 ? 27 TYR A CZ 1 ATOM 192 O OH . TYR A 1 25 ? -0.206 3.231 -19.442 1.00 20.82 ? 27 TYR A OH 1 ATOM 193 N N . GLU A 1 26 ? 7.460 6.210 -16.843 1.00 17.79 ? 28 GLU A N 1 ATOM 194 C CA . GLU A 1 26 ? 8.789 6.259 -16.269 1.00 16.41 ? 28 GLU A CA 1 ATOM 195 C C . GLU A 1 26 ? 8.886 7.314 -15.161 1.00 20.85 ? 28 GLU A C 1 ATOM 196 O O . GLU A 1 26 ? 9.430 7.017 -14.091 1.00 19.66 ? 28 GLU A O 1 ATOM 197 C CB . GLU A 1 26 ? 9.838 6.503 -17.341 1.00 18.22 ? 28 GLU A CB 1 ATOM 198 C CG . GLU A 1 26 ? 11.219 6.183 -16.814 1.00 25.76 ? 28 GLU A CG 1 ATOM 199 C CD . GLU A 1 26 ? 12.311 6.409 -17.826 1.00 32.75 ? 28 GLU A CD 1 ATOM 200 O OE1 . GLU A 1 26 ? 11.992 6.615 -19.020 1.00 27.77 ? 28 GLU A OE1 1 ATOM 201 O OE2 . GLU A 1 26 ? 13.494 6.351 -17.426 1.00 30.15 ? 28 GLU A OE2 1 ATOM 202 N N . GLU A 1 27 ? 8.325 8.511 -15.406 1.00 19.03 ? 29 GLU A N 1 ATOM 203 C CA . GLU A 1 27 ? 8.323 9.624 -14.452 1.00 18.05 ? 29 GLU A CA 1 ATOM 204 C C . GLU A 1 27 ? 7.531 9.227 -13.220 1.00 19.85 ? 29 GLU A C 1 ATOM 205 O O . GLU A 1 27 ? 7.923 9.582 -12.101 1.00 19.27 ? 29 GLU A O 1 ATOM 206 C CB . GLU A 1 27 ? 7.775 10.898 -15.081 1.00 19.61 ? 29 GLU A CB 1 ATOM 207 C CG . GLU A 1 27 ? 8.804 11.540 -16.004 1.00 27.25 ? 29 GLU A CG 1 ATOM 208 C CD . GLU A 1 27 ? 8.303 12.604 -16.957 1.00 52.38 ? 29 GLU A CD 1 ATOM 209 O OE1 . GLU A 1 27 ? 7.584 13.526 -16.508 1.00 47.57 ? 29 GLU A OE1 1 ATOM 210 O OE2 . GLU A 1 27 ? 8.684 12.548 -18.147 1.00 55.19 ? 29 GLU A OE2 1 ATOM 211 N N . ALA A 1 28 ? 6.411 8.490 -13.416 1.00 17.10 ? 30 ALA A N 1 ATOM 212 C CA . ALA A 1 28 ? 5.628 8.018 -12.259 1.00 16.22 ? 30 ALA A CA 1 ATOM 213 C C . ALA A 1 28 ? 6.414 6.999 -11.429 1.00 17.66 ? 30 ALA A C 1 ATOM 214 O O . ALA A 1 28 ? 6.382 7.065 -10.203 1.00 16.58 ? 30 ALA A O 1 ATOM 215 C CB . ALA A 1 28 ? 4.297 7.431 -12.697 1.00 17.32 ? 30 ALA A CB 1 ATOM 216 N N . ILE A 1 29 ? 7.148 6.087 -12.070 1.00 16.62 ? 31 ILE A N 1 ATOM 217 C CA . ILE A 1 29 ? 7.965 5.117 -11.339 1.00 15.34 ? 31 ILE A CA 1 ATOM 218 C C . ILE A 1 29 ? 9.054 5.852 -10.530 1.00 18.69 ? 31 ILE A C 1 ATOM 219 O O . ILE A 1 29 ? 9.258 5.543 -9.349 1.00 17.90 ? 31 ILE A O 1 ATOM 220 C CB . ILE A 1 29 ? 8.568 4.101 -12.363 1.00 16.82 ? 31 ILE A CB 1 ATOM 221 C CG1 . ILE A 1 29 ? 7.521 3.040 -12.704 1.00 16.45 ? 31 ILE A CG1 1 ATOM 222 C CG2 . ILE A 1 29 ? 9.866 3.465 -11.840 1.00 20.23 ? 31 ILE A CG2 1 ATOM 223 C CD1 . ILE A 1 29 ? 7.687 2.451 -14.101 1.00 18.16 ? 31 ILE A CD1 1 ATOM 224 N N . SER A 1 30 ? 9.697 6.857 -11.147 1.00 17.07 ? 32 SER A N 1 ATOM 225 C CA . SER A 1 30 ? 10.731 7.637 -10.467 1.00 15.65 ? 32 SER A CA 1 ATOM 226 C C . SER A 1 30 ? 10.168 8.312 -9.221 1.00 18.51 ? 32 SER A C 1 ATOM 227 O O . SER A 1 30 ? 10.789 8.248 -8.172 1.00 19.01 ? 32 SER A O 1 ATOM 228 C CB . SER A 1 30 ? 11.304 8.695 -11.397 1.00 16.61 ? 32 SER A CB 1 ATOM 229 O OG . SER A 1 30 ? 12.044 8.043 -12.416 1.00 26.80 ? 32 SER A OG 1 ATOM 230 N N . CYS A 1 31 ? 8.933 8.866 -9.300 1.00 15.38 ? 33 CYS A N 1 ATOM 231 C CA . CYS A 1 31 ? 8.328 9.498 -8.127 1.00 14.12 ? 33 CYS A CA 1 ATOM 232 C C . CYS A 1 31 ? 8.103 8.475 -7.027 1.00 16.50 ? 33 CYS A C 1 ATOM 233 O O . CYS A 1 31 ? 8.226 8.834 -5.860 1.00 16.78 ? 33 CYS A O 1 ATOM 234 C CB . CYS A 1 31 ? 7.010 10.175 -8.488 1.00 16.09 ? 33 CYS A CB 1 ATOM 235 S SG . CYS A 1 31 ? 7.199 11.671 -9.467 1.00 22.80 ? 33 CYS A SG 1 ATOM 236 N N . HIS A 1 32 ? 7.651 7.247 -7.385 1.00 14.18 ? 34 HIS A N 1 ATOM 237 C CA . HIS A 1 32 ? 7.421 6.229 -6.341 1.00 14.04 ? 34 HIS A CA 1 ATOM 238 C C . HIS A 1 32 ? 8.722 5.750 -5.700 1.00 16.21 ? 34 HIS A C 1 ATOM 239 O O . HIS A 1 32 ? 8.748 5.485 -4.493 1.00 12.88 ? 34 HIS A O 1 ATOM 240 C CB . HIS A 1 32 ? 6.622 5.033 -6.857 1.00 14.04 ? 34 HIS A CB 1 ATOM 241 C CG . HIS A 1 32 ? 5.179 5.338 -7.055 1.00 16.99 ? 34 HIS A CG 1 ATOM 242 N ND1 . HIS A 1 32 ? 4.332 5.493 -5.981 1.00 17.13 ? 34 HIS A ND1 1 ATOM 243 C CD2 . HIS A 1 32 ? 4.471 5.438 -8.195 1.00 15.85 ? 34 HIS A CD2 1 ATOM 244 C CE1 . HIS A 1 32 ? 3.125 5.698 -6.487 1.00 15.64 ? 34 HIS A CE1 1 ATOM 245 N NE2 . HIS A 1 32 ? 3.162 5.662 -7.829 1.00 14.97 ? 34 HIS A NE2 1 ATOM 246 N N . LYS A 1 33 ? 9.803 5.690 -6.472 1.00 16.71 ? 35 LYS A N 1 ATOM 247 C CA . LYS A 1 33 ? 11.112 5.327 -5.968 1.00 15.51 ? 35 LYS A CA 1 ATOM 248 C C . LYS A 1 33 ? 11.654 6.477 -5.094 1.00 19.61 ? 35 LYS A C 1 ATOM 249 O O . LYS A 1 33 ? 12.303 6.198 -4.085 1.00 18.68 ? 35 LYS A O 1 ATOM 250 C CB . LYS A 1 33 ? 12.049 4.959 -7.119 1.00 16.69 ? 35 LYS A CB 1 ATOM 251 C CG . LYS A 1 33 ? 11.649 3.647 -7.764 1.00 17.42 ? 35 LYS A CG 1 ATOM 252 C CD . LYS A 1 33 ? 12.488 3.295 -9.009 1.00 21.97 ? 35 LYS A CD 1 ATOM 253 C CE . LYS A 1 33 ? 13.947 3.205 -8.700 1.00 19.73 ? 35 LYS A CE 1 ATOM 254 N NZ . LYS A 1 33 ? 14.681 2.561 -9.828 1.00 27.21 ? 35 LYS A NZ 1 ATOM 255 N N . LYS A 1 34 ? 11.374 7.762 -5.470 1.00 16.70 ? 36 LYS A N 1 ATOM 256 C CA . LYS A 1 34 ? 11.798 8.920 -4.649 1.00 16.57 ? 36 LYS A CA 1 ATOM 257 C C . LYS A 1 34 ? 10.990 8.924 -3.367 1.00 19.46 ? 36 LYS A C 1 ATOM 258 O O . LYS A 1 34 ? 11.524 9.150 -2.280 1.00 17.29 ? 36 LYS A O 1 ATOM 259 C CB . LYS A 1 34 ? 11.635 10.260 -5.391 1.00 19.38 ? 36 LYS A CB 1 ATOM 260 C CG . LYS A 1 34 ? 12.654 10.467 -6.497 1.00 21.19 ? 36 LYS A CG 1 ATOM 261 C CD . LYS A 1 34 ? 12.216 11.528 -7.485 1.00 23.67 ? 36 LYS A CD 1 ATOM 262 C CE . LYS A 1 34 ? 13.025 11.406 -8.751 1.00 30.26 ? 36 LYS A CE 1 ATOM 263 N NZ . LYS A 1 34 ? 12.777 12.560 -9.646 1.00 38.55 ? 36 LYS A NZ 1 ATOM 264 N N . ALA A 1 35 ? 9.672 8.662 -3.481 1.00 16.25 ? 37 ALA A N 1 ATOM 265 C CA . ALA A 1 35 ? 8.860 8.623 -2.259 1.00 15.27 ? 37 ALA A CA 1 ATOM 266 C C . ALA A 1 35 ? 9.378 7.553 -1.282 1.00 15.11 ? 37 ALA A C 1 ATOM 267 O O . ALA A 1 35 ? 9.443 7.813 -0.077 1.00 16.16 ? 37 ALA A O 1 ATOM 268 C CB . ALA A 1 35 ? 7.393 8.354 -2.600 1.00 15.99 ? 37 ALA A CB 1 ATOM 269 N N . ALA A 1 36 ? 9.803 6.369 -1.789 1.00 16.44 ? 38 ALA A N 1 ATOM 270 C CA . ALA A 1 36 ? 10.322 5.299 -0.916 1.00 17.07 ? 38 ALA A CA 1 ATOM 271 C C . ALA A 1 36 ? 11.627 5.721 -0.237 1.00 19.17 ? 38 ALA A C 1 ATOM 272 O O . ALA A 1 36 ? 11.811 5.429 0.954 1.00 18.34 ? 38 ALA A O 1 ATOM 273 C CB . ALA A 1 36 ? 10.571 4.046 -1.732 1.00 17.58 ? 38 ALA A CB 1 ATOM 274 N N . ALA A 1 37 ? 12.481 6.478 -0.957 1.00 16.37 ? 39 ALA A N 1 ATOM 275 C CA . ALA A 1 37 ? 13.752 6.969 -0.421 1.00 15.17 ? 39 ALA A CA 1 ATOM 276 C C . ALA A 1 37 ? 13.505 7.978 0.682 1.00 18.00 ? 39 ALA A C 1 ATOM 277 O O . ALA A 1 37 ? 14.114 7.884 1.750 1.00 19.91 ? 39 ALA A O 1 ATOM 278 C CB . ALA A 1 37 ? 14.570 7.599 -1.532 1.00 16.25 ? 39 ALA A CB 1 ATOM 279 N N . TYR A 1 38 ? 12.557 8.902 0.459 1.00 14.36 ? 40 TYR A N 1 ATOM 280 C CA . TYR A 1 38 ? 12.217 9.886 1.487 1.00 14.56 ? 40 TYR A CA 1 ATOM 281 C C . TYR A 1 38 ? 11.581 9.203 2.703 1.00 16.46 ? 40 TYR A C 1 ATOM 282 O O . TYR A 1 38 ? 11.769 9.670 3.832 1.00 16.44 ? 40 TYR A O 1 ATOM 283 C CB . TYR A 1 38 ? 11.288 10.971 0.944 1.00 17.24 ? 40 TYR A CB 1 ATOM 284 C CG . TYR A 1 38 ? 11.934 11.895 -0.061 1.00 21.27 ? 40 TYR A CG 1 ATOM 285 C CD1 . TYR A 1 38 ? 13.095 12.597 0.251 1.00 24.04 ? 40 TYR A CD1 1 ATOM 286 C CD2 . TYR A 1 38 ? 11.348 12.119 -1.304 1.00 21.81 ? 40 TYR A CD2 1 ATOM 287 C CE1 . TYR A 1 38 ? 13.702 13.437 -0.692 1.00 27.62 ? 40 TYR A CE1 1 ATOM 288 C CE2 . TYR A 1 38 ? 11.910 12.990 -2.223 1.00 24.03 ? 40 TYR A CE2 1 ATOM 289 C CZ . TYR A 1 38 ? 13.105 13.619 -1.928 1.00 33.00 ? 40 TYR A CZ 1 ATOM 290 O OH . TYR A 1 38 ? 13.614 14.481 -2.853 1.00 36.35 ? 40 TYR A OH 1 ATOM 291 N N . LEU A 1 39 ? 10.770 8.143 2.479 1.00 14.41 ? 41 LEU A N 1 ATOM 292 C CA . LEU A 1 39 ? 10.201 7.413 3.615 1.00 14.12 ? 41 LEU A CA 1 ATOM 293 C C . LEU A 1 39 ? 11.288 6.704 4.432 1.00 18.57 ? 41 LEU A C 1 ATOM 294 O O . LEU A 1 39 ? 11.195 6.657 5.665 1.00 18.00 ? 41 LEU A O 1 ATOM 295 C CB . LEU A 1 39 ? 9.116 6.420 3.190 1.00 14.64 ? 41 LEU A CB 1 ATOM 296 C CG . LEU A 1 39 ? 7.804 7.062 2.810 1.00 18.03 ? 41 LEU A CG 1 ATOM 297 C CD1 . LEU A 1 39 ? 7.015 6.199 1.871 1.00 16.62 ? 41 LEU A CD1 1 ATOM 298 C CD2 . LEU A 1 39 ? 7.013 7.463 4.061 1.00 17.65 ? 41 LEU A CD2 1 ATOM 299 N N . SER A 1 40 ? 12.308 6.163 3.770 1.00 17.25 ? 42 SER A N 1 ATOM 300 C CA . SER A 1 40 ? 13.459 5.567 4.448 1.00 17.88 ? 42 SER A CA 1 ATOM 301 C C . SER A 1 40 ? 14.140 6.596 5.370 1.00 21.35 ? 42 SER A C 1 ATOM 302 O O . SER A 1 40 ? 14.513 6.254 6.494 1.00 20.51 ? 42 SER A O 1 ATOM 303 C CB . SER A 1 40 ? 14.451 5.031 3.429 1.00 21.43 ? 42 SER A CB 1 ATOM 304 O OG . SER A 1 40 ? 13.870 3.920 2.782 1.00 22.64 ? 42 SER A OG 1 ATOM 305 N N . GLU A 1 41 ? 14.219 7.865 4.924 1.00 18.42 ? 43 GLU A N 1 ATOM 306 C CA . GLU A 1 41 ? 14.761 8.966 5.720 1.00 19.52 ? 43 GLU A CA 1 ATOM 307 C C . GLU A 1 41 ? 13.824 9.282 6.877 1.00 20.94 ? 43 GLU A C 1 ATOM 308 O O . GLU A 1 41 ? 14.260 9.328 8.030 1.00 20.77 ? 43 GLU A O 1 ATOM 309 C CB . GLU A 1 41 ? 14.973 10.215 4.857 1.00 20.73 ? 43 GLU A CB 1 ATOM 310 C CG . GLU A 1 41 ? 16.029 10.054 3.779 1.00 25.50 ? 43 GLU A CG 1 ATOM 311 C CD . GLU A 1 41 ? 16.225 11.259 2.878 1.00 35.88 ? 43 GLU A CD 1 ATOM 312 O OE1 . GLU A 1 41 ? 15.295 12.088 2.752 1.00 29.73 ? 43 GLU A OE1 1 ATOM 313 O OE2 . GLU A 1 41 ? 17.309 11.353 2.262 1.00 33.31 ? 43 GLU A OE2 1 ATOM 314 N N . ALA A 1 42 ? 12.501 9.451 6.595 1.00 17.27 ? 44 ALA A N 1 ATOM 315 C CA . ALA A 1 42 ? 11.536 9.761 7.666 1.00 16.90 ? 44 ALA A CA 1 ATOM 316 C C . ALA A 1 42 ? 11.485 8.650 8.745 1.00 17.45 ? 44 ALA A C 1 ATOM 317 O O . ALA A 1 42 ? 11.288 8.945 9.923 1.00 17.05 ? 44 ALA A O 1 ATOM 318 C CB . ALA A 1 42 ? 10.148 9.969 7.072 1.00 17.22 ? 44 ALA A CB 1 HETATM 319 N N . MSE A 1 43 ? 11.713 7.394 8.345 1.00 16.93 ? 45 MSE A N 1 HETATM 320 C CA . MSE A 1 43 ? 11.716 6.240 9.284 1.00 16.42 ? 45 MSE A CA 1 HETATM 321 C C . MSE A 1 43 ? 12.851 6.335 10.331 1.00 22.57 ? 45 MSE A C 1 HETATM 322 O O . MSE A 1 43 ? 12.725 5.802 11.441 1.00 23.05 ? 45 MSE A O 1 HETATM 323 C CB . MSE A 1 43 ? 11.874 4.943 8.474 1.00 15.81 ? 45 MSE A CB 1 HETATM 324 C CG . MSE A 1 43 ? 10.525 4.393 8.033 1.00 17.92 ? 45 MSE A CG 1 HETATM 325 SE SE . MSE A 1 43 ? 10.724 3.165 6.575 0.75 21.61 ? 45 MSE A SE 1 HETATM 326 C CE . MSE A 1 43 ? 11.141 1.621 7.551 1.00 21.26 ? 45 MSE A CE 1 ATOM 327 N N . LYS A 1 44 ? 13.936 7.052 10.002 1.00 19.88 ? 46 LYS A N 1 ATOM 328 C CA . LYS A 1 44 ? 15.036 7.250 10.941 1.00 20.80 ? 46 LYS A CA 1 ATOM 329 C C . LYS A 1 44 ? 14.656 8.261 12.044 1.00 23.47 ? 46 LYS A C 1 ATOM 330 O O . LYS A 1 44 ? 15.297 8.286 13.088 1.00 24.17 ? 46 LYS A O 1 ATOM 331 C CB . LYS A 1 44 ? 16.291 7.719 10.197 1.00 22.21 ? 46 LYS A CB 1 ATOM 332 C CG . LYS A 1 44 ? 16.799 6.678 9.217 1.00 27.28 ? 46 LYS A CG 1 ATOM 333 C CD . LYS A 1 44 ? 18.313 6.580 9.231 1.00 42.93 ? 46 LYS A CD 1 ATOM 334 C CE . LYS A 1 44 ? 18.812 5.439 8.375 1.00 56.77 ? 46 LYS A CE 1 ATOM 335 N NZ . LYS A 1 44 ? 18.702 5.740 6.922 1.00 69.41 ? 46 LYS A NZ 1 ATOM 336 N N . LEU A 1 45 ? 13.582 9.041 11.829 1.00 19.78 ? 47 LEU A N 1 ATOM 337 C CA . LEU A 1 45 ? 13.130 10.087 12.756 1.00 20.78 ? 47 LEU A CA 1 ATOM 338 C C . LEU A 1 45 ? 11.932 9.676 13.629 1.00 23.65 ? 47 LEU A C 1 ATOM 339 O O . LEU A 1 45 ? 11.514 10.459 14.497 1.00 22.34 ? 47 LEU A O 1 ATOM 340 C CB . LEU A 1 45 ? 12.743 11.335 11.958 1.00 20.93 ? 47 LEU A CB 1 ATOM 341 C CG . LEU A 1 45 ? 13.850 12.025 11.158 1.00 26.39 ? 47 LEU A CG 1 ATOM 342 C CD1 . LEU A 1 45 ? 13.281 13.182 10.392 1.00 27.67 ? 47 LEU A CD1 1 ATOM 343 C CD2 . LEU A 1 45 ? 15.030 12.438 12.039 1.00 25.87 ? 47 LEU A CD2 1 ATOM 344 N N . THR A 1 46 ? 11.372 8.469 13.418 1.00 21.00 ? 48 THR A N 1 ATOM 345 C CA . THR A 1 46 ? 10.215 8.027 14.205 1.00 21.21 ? 48 THR A CA 1 ATOM 346 C C . THR A 1 46 ? 10.623 7.814 15.674 1.00 24.81 ? 48 THR A C 1 ATOM 347 O O . THR A 1 46 ? 11.781 7.506 15.970 1.00 24.27 ? 48 THR A O 1 ATOM 348 C CB . THR A 1 46 ? 9.536 6.779 13.620 1.00 20.20 ? 48 THR A CB 1 ATOM 349 O OG1 . THR A 1 46 ? 10.451 5.685 13.603 1.00 22.45 ? 48 THR A OG1 1 ATOM 350 C CG2 . THR A 1 46 ? 8.926 7.028 12.261 1.00 17.45 ? 48 THR A CG2 1 ATOM 351 N N . GLN A 1 47 ? 9.675 8.023 16.571 1.00 21.98 ? 49 GLN A N 1 ATOM 352 C CA . GLN A 1 47 ? 9.897 7.867 18.005 1.00 21.46 ? 49 GLN A CA 1 ATOM 353 C C . GLN A 1 47 ? 8.993 6.773 18.570 1.00 27.13 ? 49 GLN A C 1 ATOM 354 O O . GLN A 1 47 ? 9.076 6.436 19.762 1.00 27.61 ? 49 GLN A O 1 ATOM 355 C CB . GLN A 1 47 ? 9.636 9.206 18.719 1.00 23.16 ? 49 GLN A CB 1 ATOM 356 C CG . GLN A 1 47 ? 10.738 10.242 18.449 1.00 24.87 ? 49 GLN A CG 1 ATOM 357 C CD . GLN A 1 47 ? 10.545 11.514 19.253 1.00 43.14 ? 49 GLN A CD 1 ATOM 358 O OE1 . GLN A 1 47 ? 9.825 11.554 20.254 1.00 43.31 ? 49 GLN A OE1 1 ATOM 359 N NE2 . GLN A 1 47 ? 11.205 12.583 18.848 1.00 30.94 ? 49 GLN A NE2 1 ATOM 360 N N . SER A 1 48 ? 8.092 6.259 17.740 1.00 22.61 ? 50 SER A N 1 ATOM 361 C CA . SER A 1 48 ? 7.189 5.204 18.185 1.00 21.88 ? 50 SER A CA 1 ATOM 362 C C . SER A 1 48 ? 7.211 4.067 17.185 1.00 24.04 ? 50 SER A C 1 ATOM 363 O O . SER A 1 48 ? 7.415 4.285 15.973 1.00 21.36 ? 50 SER A O 1 ATOM 364 C CB . SER A 1 48 ? 5.777 5.742 18.390 1.00 23.47 ? 50 SER A CB 1 ATOM 365 O OG . SER A 1 48 ? 5.174 6.053 17.145 1.00 26.12 ? 50 SER A OG 1 ATOM 366 N N . GLU A 1 49 ? 6.971 2.852 17.691 1.00 22.21 ? 51 GLU A N 1 ATOM 367 C CA . GLU A 1 49 ? 6.919 1.661 16.851 1.00 22.08 ? 51 GLU A CA 1 ATOM 368 C C . GLU A 1 49 ? 5.699 1.725 15.899 1.00 22.78 ? 51 GLU A C 1 ATOM 369 O O . GLU A 1 49 ? 5.831 1.311 14.740 1.00 18.81 ? 51 GLU A O 1 ATOM 370 C CB . GLU A 1 49 ? 6.898 0.390 17.723 1.00 24.25 ? 51 GLU A CB 1 ATOM 371 C CG . GLU A 1 49 ? 7.043 -0.927 16.969 1.00 33.70 ? 51 GLU A CG 1 ATOM 372 C CD . GLU A 1 49 ? 8.246 -1.153 16.064 1.00 53.75 ? 51 GLU A CD 1 ATOM 373 O OE1 . GLU A 1 49 ? 9.241 -0.395 16.153 1.00 52.61 ? 51 GLU A OE1 1 ATOM 374 O OE2 . GLU A 1 49 ? 8.197 -2.121 15.272 1.00 40.26 ? 51 GLU A OE2 1 ATOM 375 N N . GLN A 1 50 ? 4.565 2.333 16.330 1.00 19.55 ? 52 GLN A N 1 ATOM 376 C CA . GLN A 1 50 ? 3.402 2.403 15.443 1.00 19.27 ? 52 GLN A CA 1 ATOM 377 C C . GLN A 1 50 ? 3.689 3.327 14.266 1.00 19.77 ? 52 GLN A C 1 ATOM 378 O O . GLN A 1 50 ? 3.369 2.951 13.129 1.00 17.54 ? 52 GLN A O 1 ATOM 379 C CB . GLN A 1 50 ? 2.102 2.815 16.175 1.00 20.73 ? 52 GLN A CB 1 ATOM 380 C CG . GLN A 1 50 ? 1.952 4.287 16.542 1.00 22.90 ? 52 GLN A CG 1 ATOM 381 C CD . GLN A 1 50 ? 2.495 4.649 17.905 1.00 27.81 ? 52 GLN A CD 1 ATOM 382 O OE1 . GLN A 1 50 ? 3.188 3.866 18.561 1.00 24.03 ? 52 GLN A OE1 1 ATOM 383 N NE2 . GLN A 1 50 ? 2.203 5.862 18.362 1.00 22.56 ? 52 GLN A NE2 1 ATOM 384 N N . ALA A 1 51 ? 4.398 4.478 14.508 1.00 15.96 ? 53 ALA A N 1 ATOM 385 C CA . ALA A 1 51 ? 4.715 5.390 13.389 1.00 17.74 ? 53 ALA A CA 1 ATOM 386 C C . ALA A 1 51 ? 5.709 4.715 12.444 1.00 18.28 ? 53 ALA A C 1 ATOM 387 O O . ALA A 1 51 ? 5.531 4.769 11.226 1.00 17.40 ? 53 ALA A O 1 ATOM 388 C CB . ALA A 1 51 ? 5.282 6.695 13.906 1.00 19.70 ? 53 ALA A CB 1 ATOM 389 N N . HIS A 1 52 ? 6.704 4.017 13.008 1.00 17.55 ? 54 HIS A N 1 ATOM 390 C CA . HIS A 1 52 ? 7.729 3.316 12.226 1.00 18.19 ? 54 HIS A CA 1 ATOM 391 C C . HIS A 1 52 ? 7.132 2.221 11.351 1.00 18.93 ? 54 HIS A C 1 ATOM 392 O O . HIS A 1 52 ? 7.378 2.199 10.128 1.00 17.19 ? 54 HIS A O 1 ATOM 393 C CB . HIS A 1 52 ? 8.834 2.737 13.126 1.00 19.71 ? 54 HIS A CB 1 ATOM 394 C CG . HIS A 1 52 ? 10.087 2.375 12.376 1.00 23.46 ? 54 HIS A CG 1 ATOM 395 N ND1 . HIS A 1 52 ? 11.071 3.317 12.116 1.00 25.18 ? 54 HIS A ND1 1 ATOM 396 C CD2 . HIS A 1 52 ? 10.468 1.190 11.841 1.00 24.46 ? 54 HIS A CD2 1 ATOM 397 C CE1 . HIS A 1 52 ? 12.027 2.671 11.466 1.00 24.64 ? 54 HIS A CE1 1 ATOM 398 N NE2 . HIS A 1 52 ? 11.708 1.395 11.265 1.00 25.21 ? 54 HIS A NE2 1 ATOM 399 N N . LEU A 1 53 ? 6.275 1.362 11.944 1.00 17.34 ? 55 LEU A N 1 ATOM 400 C CA . LEU A 1 53 ? 5.619 0.278 11.217 1.00 17.54 ? 55 LEU A CA 1 ATOM 401 C C . LEU A 1 53 ? 4.720 0.824 10.099 1.00 17.62 ? 55 LEU A C 1 ATOM 402 O O . LEU A 1 53 ? 4.712 0.272 9.007 1.00 15.43 ? 55 LEU A O 1 ATOM 403 C CB . LEU A 1 53 ? 4.813 -0.631 12.180 1.00 18.10 ? 55 LEU A CB 1 ATOM 404 C CG . LEU A 1 53 ? 5.632 -1.497 13.135 1.00 21.66 ? 55 LEU A CG 1 ATOM 405 C CD1 . LEU A 1 53 ? 4.726 -2.067 14.233 1.00 21.41 ? 55 LEU A CD1 1 ATOM 406 C CD2 . LEU A 1 53 ? 6.351 -2.639 12.399 1.00 23.32 ? 55 LEU A CD2 1 ATOM 407 N N . SER A 1 54 ? 3.990 1.925 10.364 1.00 15.24 ? 56 SER A N 1 ATOM 408 C CA . SER A 1 54 ? 3.126 2.542 9.369 1.00 15.32 ? 56 SER A CA 1 ATOM 409 C C . SER A 1 54 ? 3.916 3.182 8.229 1.00 16.75 ? 56 SER A C 1 ATOM 410 O O . SER A 1 54 ? 3.517 3.033 7.057 1.00 15.35 ? 56 SER A O 1 ATOM 411 C CB . SER A 1 54 ? 2.245 3.585 10.039 1.00 17.77 ? 56 SER A CB 1 ATOM 412 O OG . SER A 1 54 ? 1.370 4.154 9.086 1.00 17.00 ? 56 SER A OG 1 ATOM 413 N N . LEU A 1 55 ? 5.094 3.788 8.527 1.00 14.05 ? 57 LEU A N 1 ATOM 414 C CA . LEU A 1 55 ? 5.872 4.372 7.427 1.00 15.05 ? 57 LEU A CA 1 ATOM 415 C C . LEU A 1 55 ? 6.473 3.252 6.570 1.00 15.93 ? 57 LEU A C 1 ATOM 416 O O . LEU A 1 55 ? 6.520 3.373 5.340 1.00 15.19 ? 57 LEU A O 1 ATOM 417 C CB . LEU A 1 55 ? 6.983 5.300 7.936 1.00 14.87 ? 57 LEU A CB 1 ATOM 418 C CG . LEU A 1 55 ? 6.544 6.636 8.560 1.00 19.10 ? 57 LEU A CG 1 ATOM 419 C CD1 . LEU A 1 55 ? 7.764 7.515 8.903 1.00 18.24 ? 57 LEU A CD1 1 ATOM 420 C CD2 . LEU A 1 55 ? 5.573 7.411 7.653 1.00 21.03 ? 57 LEU A CD2 1 ATOM 421 N N . GLU A 1 56 ? 6.830 2.142 7.213 1.00 13.79 ? 58 GLU A N 1 ATOM 422 C CA . GLU A 1 56 ? 7.388 0.955 6.512 1.00 15.50 ? 58 GLU A CA 1 ATOM 423 C C . GLU A 1 56 ? 6.361 0.349 5.553 1.00 17.69 ? 58 GLU A C 1 ATOM 424 O O . GLU A 1 56 ? 6.686 0.017 4.400 1.00 17.23 ? 58 GLU A O 1 ATOM 425 C CB . GLU A 1 56 ? 7.816 -0.087 7.559 1.00 18.56 ? 58 GLU A CB 1 ATOM 426 C CG . GLU A 1 56 ? 8.392 -1.361 6.968 1.00 24.57 ? 58 GLU A CG 1 ATOM 427 C CD . GLU A 1 56 ? 8.852 -2.356 8.012 1.00 54.11 ? 58 GLU A CD 1 ATOM 428 O OE1 . GLU A 1 56 ? 7.993 -2.905 8.745 1.00 42.78 ? 58 GLU A OE1 1 ATOM 429 O OE2 . GLU A 1 56 ? 10.078 -2.592 8.089 1.00 49.94 ? 58 GLU A OE2 1 ATOM 430 N N . LEU A 1 57 ? 5.105 0.250 5.999 1.00 14.47 ? 59 LEU A N 1 ATOM 431 C CA . LEU A 1 57 ? 4.031 -0.245 5.145 1.00 14.73 ? 59 LEU A CA 1 ATOM 432 C C . LEU A 1 57 ? 3.772 0.726 3.976 1.00 15.33 ? 59 LEU A C 1 ATOM 433 O O . LEU A 1 57 ? 3.653 0.270 2.839 1.00 14.27 ? 59 LEU A O 1 ATOM 434 C CB . LEU A 1 57 ? 2.765 -0.438 6.000 1.00 14.90 ? 59 LEU A CB 1 ATOM 435 C CG . LEU A 1 57 ? 1.521 -0.914 5.266 1.00 20.77 ? 59 LEU A CG 1 ATOM 436 C CD1 . LEU A 1 57 ? 1.763 -2.201 4.458 1.00 20.15 ? 59 LEU A CD1 1 ATOM 437 C CD2 . LEU A 1 57 ? 0.416 -1.166 6.249 1.00 21.48 ? 59 LEU A CD2 1 ATOM 438 N N . GLN A 1 58 ? 3.862 2.055 4.223 1.00 14.08 ? 60 GLN A N 1 ATOM 439 C CA . GLN A 1 58 ? 3.750 3.121 3.198 1.00 14.63 ? 60 GLN A CA 1 ATOM 440 C C . GLN A 1 58 ? 4.844 2.978 2.166 1.00 17.37 ? 60 GLN A C 1 ATOM 441 O O . GLN A 1 58 ? 4.590 3.113 0.938 1.00 14.78 ? 60 GLN A O 1 ATOM 442 C CB . GLN A 1 58 ? 3.782 4.523 3.853 1.00 17.27 ? 60 GLN A CB 1 ATOM 443 C CG . GLN A 1 58 ? 3.346 5.682 2.948 1.00 19.25 ? 60 GLN A CG 1 ATOM 444 C CD . GLN A 1 58 ? 3.281 7.050 3.615 1.00 22.71 ? 60 GLN A CD 1 ATOM 445 O OE1 . GLN A 1 58 ? 3.483 8.080 2.966 1.00 25.81 ? 60 GLN A OE1 1 ATOM 446 N NE2 . GLN A 1 58 ? 3.158 7.106 4.934 1.00 20.45 ? 60 GLN A NE2 1 ATOM 447 N N . ARG A 1 59 ? 6.072 2.684 2.637 1.00 15.81 ? 61 ARG A N 1 ATOM 448 C CA . ARG A 1 59 ? 7.183 2.501 1.694 1.00 15.81 ? 61 ARG A CA 1 ATOM 449 C C . ARG A 1 59 ? 6.942 1.256 0.828 1.00 17.17 ? 61 ARG A C 1 ATOM 450 O O . ARG A 1 59 ? 7.088 1.307 -0.403 1.00 16.40 ? 61 ARG A O 1 ATOM 451 C CB . ARG A 1 59 ? 8.502 2.416 2.442 1.00 15.80 ? 61 ARG A CB 1 ATOM 452 C CG . ARG A 1 59 ? 9.710 2.214 1.509 1.00 17.58 ? 61 ARG A CG 1 ATOM 453 C CD . ARG A 1 59 ? 11.007 2.163 2.284 1.00 19.33 ? 61 ARG A CD 1 ATOM 454 N NE . ARG A 1 59 ? 11.073 0.980 3.146 1.00 18.51 ? 61 ARG A NE 1 ATOM 455 C CZ . ARG A 1 59 ? 12.053 0.716 4.006 1.00 27.70 ? 61 ARG A CZ 1 ATOM 456 N NH1 . ARG A 1 59 ? 13.085 1.545 4.125 1.00 23.55 ? 61 ARG A NH1 1 ATOM 457 N NH2 . ARG A 1 59 ? 12.002 -0.372 4.762 1.00 24.16 ? 61 ARG A NH2 1 ATOM 458 N N . ASP A 1 60 ? 6.485 0.155 1.447 1.00 15.47 ? 62 ASP A N 1 ATOM 459 C CA . ASP A 1 60 ? 6.184 -1.062 0.696 1.00 17.03 ? 62 ASP A CA 1 ATOM 460 C C . ASP A 1 60 ? 5.038 -0.835 -0.305 1.00 17.05 ? 62 ASP A C 1 ATOM 461 O O . ASP A 1 60 ? 5.060 -1.398 -1.415 1.00 16.28 ? 62 ASP A O 1 ATOM 462 C CB . ASP A 1 60 ? 5.863 -2.252 1.626 1.00 21.21 ? 62 ASP A CB 1 ATOM 463 C CG . ASP A 1 60 ? 5.960 -3.583 0.878 1.00 42.52 ? 62 ASP A CG 1 ATOM 464 O OD1 . ASP A 1 60 ? 6.825 -3.701 -0.033 1.00 44.97 ? 62 ASP A OD1 1 ATOM 465 O OD2 . ASP A 1 60 ? 5.136 -4.477 1.149 1.00 54.53 ? 62 ASP A OD2 1 ATOM 466 N N . SER A 1 61 ? 4.076 0.038 0.037 1.00 14.71 ? 63 SER A N 1 ATOM 467 C CA . SER A 1 61 ? 2.994 0.350 -0.880 1.00 13.59 ? 63 SER A CA 1 ATOM 468 C C . SER A 1 61 ? 3.556 1.004 -2.143 1.00 14.63 ? 63 SER A C 1 ATOM 469 O O . SER A 1 61 ? 3.131 0.641 -3.254 1.00 16.26 ? 63 SER A O 1 ATOM 470 C CB . SER A 1 61 ? 1.974 1.260 -0.214 1.00 14.61 ? 63 SER A CB 1 ATOM 471 O OG . SER A 1 61 ? 1.395 0.521 0.849 1.00 23.44 ? 63 SER A OG 1 ATOM 472 N N . HIS A 1 62 ? 4.613 1.854 -1.997 1.00 11.97 ? 64 HIS A N 1 ATOM 473 C CA . HIS A 1 62 ? 5.220 2.480 -3.181 1.00 12.46 ? 64 HIS A CA 1 ATOM 474 C C . HIS A 1 62 ? 5.908 1.395 -4.093 1.00 14.00 ? 64 HIS A C 1 ATOM 475 O O . HIS A 1 62 ? 5.961 1.560 -5.334 1.00 14.47 ? 64 HIS A O 1 ATOM 476 C CB . HIS A 1 62 ? 6.212 3.595 -2.776 1.00 12.46 ? 64 HIS A CB 1 ATOM 477 C CG . HIS A 1 62 ? 5.471 4.841 -2.403 1.00 14.56 ? 64 HIS A CG 1 ATOM 478 N ND1 . HIS A 1 62 ? 4.751 5.555 -3.339 1.00 16.24 ? 64 HIS A ND1 1 ATOM 479 C CD2 . HIS A 1 62 ? 5.303 5.417 -1.192 1.00 16.17 ? 64 HIS A CD2 1 ATOM 480 C CE1 . HIS A 1 62 ? 4.170 6.542 -2.676 1.00 17.08 ? 64 HIS A CE1 1 ATOM 481 N NE2 . HIS A 1 62 ? 4.453 6.483 -1.369 1.00 17.20 ? 64 HIS A NE2 1 HETATM 482 N N . MSE A 1 63 ? 6.433 0.309 -3.464 1.00 12.20 ? 65 MSE A N 1 HETATM 483 C CA . MSE A 1 63 ? 7.047 -0.822 -4.183 1.00 13.88 ? 65 MSE A CA 1 HETATM 484 C C . MSE A 1 63 ? 6.004 -1.588 -4.949 1.00 16.26 ? 65 MSE A C 1 HETATM 485 O O . MSE A 1 63 ? 6.249 -2.000 -6.105 1.00 14.27 ? 65 MSE A O 1 HETATM 486 C CB . MSE A 1 63 ? 7.825 -1.772 -3.237 1.00 15.92 ? 65 MSE A CB 1 HETATM 487 C CG . MSE A 1 63 ? 8.985 -1.121 -2.502 1.00 19.36 ? 65 MSE A CG 1 HETATM 488 SE SE . MSE A 1 63 ? 10.359 -0.218 -3.631 0.75 21.15 ? 65 MSE A SE 1 HETATM 489 C CE . MSE A 1 63 ? 9.579 1.511 -3.921 1.00 20.39 ? 65 MSE A CE 1 ATOM 490 N N . LYS A 1 64 ? 4.798 -1.757 -4.356 1.00 15.15 ? 66 LYS A N 1 ATOM 491 C CA A LYS A 1 64 ? 3.709 -2.437 -5.052 0.50 15.14 ? 66 LYS A CA 1 ATOM 492 C CA B LYS A 1 64 ? 3.709 -2.435 -5.055 0.50 14.96 ? 66 LYS A CA 1 ATOM 493 C C . LYS A 1 64 ? 3.254 -1.591 -6.247 1.00 17.17 ? 66 LYS A C 1 ATOM 494 O O . LYS A 1 64 ? 2.966 -2.141 -7.314 1.00 16.36 ? 66 LYS A O 1 ATOM 495 C CB A LYS A 1 64 ? 2.548 -2.731 -4.094 0.50 17.47 ? 66 LYS A CB 1 ATOM 496 C CB B LYS A 1 64 ? 2.537 -2.731 -4.106 0.50 16.87 ? 66 LYS A CB 1 ATOM 497 C CG A LYS A 1 64 ? 2.963 -3.721 -3.017 0.50 23.48 ? 66 LYS A CG 1 ATOM 498 C CG B LYS A 1 64 ? 2.926 -3.589 -2.899 0.50 17.40 ? 66 LYS A CG 1 ATOM 499 C CD A LYS A 1 64 ? 1.914 -3.921 -1.948 0.50 31.81 ? 66 LYS A CD 1 ATOM 500 C CD B LYS A 1 64 ? 3.383 -5.003 -3.285 0.50 21.92 ? 66 LYS A CD 1 ATOM 501 C CE A LYS A 1 64 ? 2.419 -4.903 -0.925 0.50 44.05 ? 66 LYS A CE 1 ATOM 502 C CE B LYS A 1 64 ? 3.495 -5.917 -2.088 0.50 26.98 ? 66 LYS A CE 1 ATOM 503 N NZ A LYS A 1 64 ? 1.520 -4.998 0.249 0.50 55.81 ? 66 LYS A NZ 1 ATOM 504 N NZ B LYS A 1 64 ? 4.266 -7.144 -2.405 0.50 34.33 ? 66 LYS A NZ 1 ATOM 505 N N . GLN A 1 65 ? 3.250 -0.254 -6.082 1.00 14.07 ? 67 GLN A N 1 ATOM 506 C CA . GLN A 1 65 ? 2.916 0.692 -7.143 1.00 14.74 ? 67 GLN A CA 1 ATOM 507 C C . GLN A 1 65 ? 3.925 0.561 -8.271 1.00 16.67 ? 67 GLN A C 1 ATOM 508 O O . GLN A 1 65 ? 3.550 0.503 -9.457 1.00 16.88 ? 67 GLN A O 1 ATOM 509 C CB . GLN A 1 65 ? 2.888 2.128 -6.607 1.00 16.08 ? 67 GLN A CB 1 ATOM 510 C CG . GLN A 1 65 ? 1.626 2.434 -5.780 1.00 13.84 ? 67 GLN A CG 1 ATOM 511 C CD . GLN A 1 65 ? 0.336 2.501 -6.567 1.00 17.88 ? 67 GLN A CD 1 ATOM 512 O OE1 . GLN A 1 65 ? 0.309 2.466 -7.828 1.00 16.07 ? 67 GLN A OE1 1 ATOM 513 N NE2 . GLN A 1 65 ? -0.759 2.727 -5.854 1.00 16.11 ? 67 GLN A NE2 1 ATOM 514 N N . LEU A 1 66 ? 5.217 0.472 -7.919 1.00 14.74 ? 68 LEU A N 1 ATOM 515 C CA . LEU A 1 66 ? 6.270 0.359 -8.930 1.00 16.37 ? 68 LEU A CA 1 ATOM 516 C C . LEU A 1 66 ? 6.028 -0.890 -9.782 1.00 14.69 ? 68 LEU A C 1 ATOM 517 O O . LEU A 1 66 ? 6.112 -0.827 -11.028 1.00 14.97 ? 68 LEU A O 1 ATOM 518 C CB . LEU A 1 66 ? 7.626 0.327 -8.175 1.00 17.54 ? 68 LEU A CB 1 ATOM 519 C CG . LEU A 1 66 ? 8.925 0.137 -8.951 1.00 23.78 ? 68 LEU A CG 1 ATOM 520 C CD1 . LEU A 1 66 ? 10.073 0.545 -8.101 1.00 24.14 ? 68 LEU A CD1 1 ATOM 521 C CD2 . LEU A 1 66 ? 9.166 -1.294 -9.292 1.00 26.62 ? 68 LEU A CD2 1 ATOM 522 N N . LEU A 1 67 ? 5.665 -2.015 -9.142 1.00 14.03 ? 69 LEU A N 1 ATOM 523 C CA . LEU A 1 67 ? 5.439 -3.286 -9.862 1.00 16.88 ? 69 LEU A CA 1 ATOM 524 C C . LEU A 1 67 ? 4.233 -3.183 -10.801 1.00 17.21 ? 69 LEU A C 1 ATOM 525 O O . LEU A 1 67 ? 4.325 -3.562 -11.987 1.00 15.37 ? 69 LEU A O 1 ATOM 526 C CB . LEU A 1 67 ? 5.249 -4.464 -8.871 1.00 17.79 ? 69 LEU A CB 1 ATOM 527 C CG . LEU A 1 67 ? 6.521 -4.879 -8.124 1.00 25.79 ? 69 LEU A CG 1 ATOM 528 C CD1 . LEU A 1 67 ? 6.189 -5.597 -6.822 1.00 28.00 ? 69 LEU A CD1 1 ATOM 529 C CD2 . LEU A 1 67 ? 7.391 -5.741 -8.972 1.00 29.79 ? 69 LEU A CD2 1 ATOM 530 N N . LEU A 1 68 ? 3.140 -2.564 -10.309 1.00 15.57 ? 70 LEU A N 1 ATOM 531 C CA . LEU A 1 68 ? 1.942 -2.374 -11.109 1.00 14.77 ? 70 LEU A CA 1 ATOM 532 C C . LEU A 1 68 ? 2.232 -1.493 -12.309 1.00 16.13 ? 70 LEU A C 1 ATOM 533 O O . LEU A 1 68 ? 1.895 -1.866 -13.435 1.00 16.12 ? 70 LEU A O 1 ATOM 534 C CB . LEU A 1 68 ? 0.857 -1.704 -10.271 1.00 14.43 ? 70 LEU A CB 1 ATOM 535 C CG . LEU A 1 68 ? -0.378 -1.198 -11.019 1.00 21.32 ? 70 LEU A CG 1 ATOM 536 C CD1 . LEU A 1 68 ? -1.140 -2.331 -11.722 1.00 23.03 ? 70 LEU A CD1 1 ATOM 537 C CD2 . LEU A 1 68 ? -1.274 -0.446 -10.064 1.00 23.32 ? 70 LEU A CD2 1 ATOM 538 N N . ILE A 1 69 ? 2.904 -0.356 -12.059 1.00 12.82 ? 71 ILE A N 1 ATOM 539 C CA . ILE A 1 69 ? 3.165 0.637 -13.098 1.00 13.68 ? 71 ILE A CA 1 ATOM 540 C C . ILE A 1 69 ? 4.127 0.047 -14.137 1.00 16.55 ? 71 ILE A C 1 ATOM 541 O O . ILE A 1 69 ? 3.955 0.290 -15.350 1.00 17.22 ? 71 ILE A O 1 ATOM 542 C CB . ILE A 1 69 ? 3.603 2.004 -12.536 1.00 16.71 ? 71 ILE A CB 1 ATOM 543 C CG1 . ILE A 1 69 ? 2.438 2.604 -11.695 1.00 16.18 ? 71 ILE A CG1 1 ATOM 544 C CG2 . ILE A 1 69 ? 3.976 2.981 -13.704 1.00 14.11 ? 71 ILE A CG2 1 ATOM 545 C CD1 . ILE A 1 69 ? 2.884 3.612 -10.685 1.00 21.43 ? 71 ILE A CD1 1 ATOM 546 N N . GLN A 1 70 ? 5.139 -0.730 -13.688 1.00 15.24 ? 72 GLN A N 1 ATOM 547 C CA . GLN A 1 70 ? 6.061 -1.365 -14.641 1.00 16.54 ? 72 GLN A CA 1 ATOM 548 C C . GLN A 1 70 ? 5.305 -2.293 -15.600 1.00 18.24 ? 72 GLN A C 1 ATOM 549 O O . GLN A 1 70 ? 5.497 -2.224 -16.828 1.00 17.32 ? 72 GLN A O 1 ATOM 550 C CB . GLN A 1 70 ? 7.170 -2.116 -13.897 1.00 17.85 ? 72 GLN A CB 1 ATOM 551 C CG . GLN A 1 70 ? 8.326 -1.227 -13.474 1.00 24.56 ? 72 GLN A CG 1 ATOM 552 C CD . GLN A 1 70 ? 9.309 -1.011 -14.599 1.00 25.83 ? 72 GLN A CD 1 ATOM 553 O OE1 . GLN A 1 70 ? 9.019 -1.279 -15.784 1.00 23.64 ? 72 GLN A OE1 1 ATOM 554 N NE2 . GLN A 1 70 ? 10.496 -0.505 -14.270 1.00 22.41 ? 72 GLN A NE2 1 ATOM 555 N N . GLU A 1 71 ? 4.403 -3.125 -15.058 1.00 17.03 ? 73 GLU A N 1 ATOM 556 C CA . GLU A 1 71 ? 3.579 -4.032 -15.858 1.00 18.69 ? 73 GLU A CA 1 ATOM 557 C C . GLU A 1 71 ? 2.695 -3.253 -16.845 1.00 18.63 ? 73 GLU A C 1 ATOM 558 O O . GLU A 1 71 ? 2.616 -3.624 -18.014 1.00 17.23 ? 73 GLU A O 1 ATOM 559 C CB . GLU A 1 71 ? 2.729 -4.921 -14.934 1.00 20.55 ? 73 GLU A CB 1 ATOM 560 C CG . GLU A 1 71 ? 2.074 -6.098 -15.639 1.00 38.18 ? 73 GLU A CG 1 ATOM 561 C CD . GLU A 1 71 ? 0.666 -5.870 -16.156 1.00 72.08 ? 73 GLU A CD 1 ATOM 562 O OE1 . GLU A 1 71 ? -0.177 -5.361 -15.382 1.00 74.54 ? 73 GLU A OE1 1 ATOM 563 O OE2 . GLU A 1 71 ? 0.392 -6.243 -17.320 1.00 72.75 ? 73 GLU A OE2 1 ATOM 564 N N . ARG A 1 72 ? 2.034 -2.171 -16.380 1.00 15.88 ? 74 ARG A N 1 ATOM 565 C CA . ARG A 1 72 ? 1.200 -1.350 -17.243 1.00 15.40 ? 74 ARG A CA 1 ATOM 566 C C . ARG A 1 72 ? 2.018 -0.627 -18.303 1.00 18.07 ? 74 ARG A C 1 ATOM 567 O O . ARG A 1 72 ? 1.548 -0.463 -19.435 1.00 18.86 ? 74 ARG A O 1 ATOM 568 C CB . ARG A 1 72 ? 0.410 -0.324 -16.424 1.00 15.99 ? 74 ARG A CB 1 ATOM 569 C CG . ARG A 1 72 ? -0.591 -0.999 -15.460 1.00 20.43 ? 74 ARG A CG 1 ATOM 570 C CD . ARG A 1 72 ? -1.502 -2.012 -16.138 1.00 22.03 ? 74 ARG A CD 1 ATOM 571 N NE . ARG A 1 72 ? -2.236 -1.413 -17.257 1.00 26.51 ? 74 ARG A NE 1 ATOM 572 C CZ . ARG A 1 72 ? -3.278 -1.971 -17.867 1.00 40.47 ? 74 ARG A CZ 1 ATOM 573 N NH1 . ARG A 1 72 ? -3.714 -3.169 -17.493 1.00 28.80 ? 74 ARG A NH1 1 ATOM 574 N NH2 . ARG A 1 72 ? -3.886 -1.339 -18.859 1.00 31.99 ? 74 ARG A NH2 1 ATOM 575 N N . TRP A 1 73 ? 3.255 -0.232 -17.960 1.00 14.99 ? 75 TRP A N 1 ATOM 576 C CA . TRP A 1 73 ? 4.116 0.479 -18.909 1.00 16.22 ? 75 TRP A CA 1 ATOM 577 C C . TRP A 1 73 ? 4.481 -0.437 -20.063 1.00 19.34 ? 75 TRP A C 1 ATOM 578 O O . TRP A 1 73 ? 4.460 0.001 -21.231 1.00 18.51 ? 75 TRP A O 1 ATOM 579 C CB . TRP A 1 73 ? 5.372 0.944 -18.171 1.00 15.43 ? 75 TRP A CB 1 ATOM 580 C CG . TRP A 1 73 ? 6.355 1.761 -18.955 1.00 16.53 ? 75 TRP A CG 1 ATOM 581 C CD1 . TRP A 1 73 ? 6.167 2.381 -20.160 1.00 18.64 ? 75 TRP A CD1 1 ATOM 582 C CD2 . TRP A 1 73 ? 7.688 2.076 -18.544 1.00 16.60 ? 75 TRP A CD2 1 ATOM 583 N NE1 . TRP A 1 73 ? 7.304 3.088 -20.509 1.00 18.69 ? 75 TRP A NE1 1 ATOM 584 C CE2 . TRP A 1 73 ? 8.249 2.915 -19.533 1.00 20.02 ? 75 TRP A CE2 1 ATOM 585 C CE3 . TRP A 1 73 ? 8.435 1.806 -17.379 1.00 17.17 ? 75 TRP A CE3 1 ATOM 586 C CZ2 . TRP A 1 73 ? 9.571 3.383 -19.452 1.00 20.22 ? 75 TRP A CZ2 1 ATOM 587 C CZ3 . TRP A 1 73 ? 9.740 2.259 -17.302 1.00 18.39 ? 75 TRP A CZ3 1 ATOM 588 C CH2 . TRP A 1 73 ? 10.292 3.053 -18.321 1.00 19.44 ? 75 TRP A CH2 1 ATOM 589 N N . LYS A 1 74 ? 4.852 -1.699 -19.740 1.00 16.36 ? 76 LYS A N 1 ATOM 590 C CA . LYS A 1 74 ? 5.205 -2.734 -20.748 1.00 17.79 ? 76 LYS A CA 1 ATOM 591 C C . LYS A 1 74 ? 4.024 -2.925 -21.718 1.00 19.74 ? 76 LYS A C 1 ATOM 592 O O . LYS A 1 74 ? 4.202 -2.892 -22.936 1.00 17.77 ? 76 LYS A O 1 ATOM 593 C CB . LYS A 1 74 ? 5.552 -4.059 -20.035 1.00 20.04 ? 76 LYS A CB 1 ATOM 594 C CG . LYS A 1 74 ? 5.894 -5.189 -21.017 1.00 26.21 ? 76 LYS A CG 1 ATOM 595 C CD . LYS A 1 74 ? 6.198 -6.509 -20.321 1.00 38.54 ? 76 LYS A CD 1 ATOM 596 C CE . LYS A 1 74 ? 6.605 -7.551 -21.342 1.00 52.43 ? 76 LYS A CE 1 ATOM 597 N NZ . LYS A 1 74 ? 7.067 -8.814 -20.707 1.00 65.06 ? 76 LYS A NZ 1 ATOM 598 N N . ARG A 1 75 ? 2.802 -3.057 -21.178 1.00 18.63 ? 77 ARG A N 1 ATOM 599 C CA . ARG A 1 75 ? 1.596 -3.173 -21.984 1.00 19.42 ? 77 ARG A CA 1 ATOM 600 C C . ARG A 1 75 ? 1.421 -1.937 -22.928 1.00 21.26 ? 77 ARG A C 1 ATOM 601 O O . ARG A 1 75 ? 1.149 -2.122 -24.118 1.00 20.74 ? 77 ARG A O 1 ATOM 602 C CB . ARG A 1 75 ? 0.370 -3.354 -21.063 1.00 18.68 ? 77 ARG A CB 1 ATOM 603 C CG . ARG A 1 75 ? -0.949 -3.471 -21.801 1.00 35.44 ? 77 ARG A CG 1 ATOM 604 C CD . ARG A 1 75 ? -2.115 -3.629 -20.843 1.00 44.13 ? 77 ARG A CD 1 ATOM 605 N NE . ARG A 1 75 ? -3.389 -3.724 -21.557 1.00 57.03 ? 77 ARG A NE 1 ATOM 606 C CZ . ARG A 1 75 ? -4.314 -4.649 -21.321 1.00 76.91 ? 77 ARG A CZ 1 ATOM 607 N NH1 . ARG A 1 75 ? -4.124 -5.565 -20.378 1.00 65.48 ? 77 ARG A NH1 1 ATOM 608 N NH2 . ARG A 1 75 ? -5.444 -4.659 -22.018 1.00 66.32 ? 77 ARG A NH2 1 ATOM 609 N N . ALA A 1 76 ? 1.630 -0.705 -22.411 1.00 17.73 ? 78 ALA A N 1 ATOM 610 C CA . ALA A 1 76 ? 1.473 0.541 -23.175 1.00 17.52 ? 78 ALA A CA 1 ATOM 611 C C . ALA A 1 76 ? 2.535 0.670 -24.249 1.00 20.92 ? 78 ALA A C 1 ATOM 612 O O . ALA A 1 76 ? 2.244 1.147 -25.362 1.00 20.10 ? 78 ALA A O 1 ATOM 613 C CB . ALA A 1 76 ? 1.513 1.748 -22.258 1.00 17.10 ? 78 ALA A CB 1 ATOM 614 N N . GLN A 1 77 ? 3.757 0.203 -23.936 1.00 18.83 ? 79 GLN A N 1 ATOM 615 C CA . GLN A 1 77 ? 4.856 0.190 -24.912 1.00 18.63 ? 79 GLN A CA 1 ATOM 616 C C . GLN A 1 77 ? 4.525 -0.737 -26.078 1.00 21.05 ? 79 GLN A C 1 ATOM 617 O O . GLN A 1 77 ? 4.741 -0.359 -27.226 1.00 20.16 ? 79 GLN A O 1 ATOM 618 C CB . GLN A 1 77 ? 6.166 -0.266 -24.254 1.00 18.82 ? 79 GLN A CB 1 ATOM 619 C CG . GLN A 1 77 ? 6.826 0.795 -23.380 1.00 20.08 ? 79 GLN A CG 1 ATOM 620 C CD . GLN A 1 77 ? 8.085 0.278 -22.748 1.00 23.35 ? 79 GLN A CD 1 ATOM 621 O OE1 . GLN A 1 77 ? 8.218 -0.916 -22.468 1.00 22.38 ? 79 GLN A OE1 1 ATOM 622 N NE2 . GLN A 1 77 ? 9.071 1.152 -22.589 1.00 18.45 ? 79 GLN A NE2 1 ATOM 623 N N . ARG A 1 78 ? 3.986 -1.946 -25.786 1.00 19.81 ? 80 ARG A N 1 ATOM 624 C CA . ARG A 1 78 ? 3.619 -2.910 -26.850 1.00 21.53 ? 80 ARG A CA 1 ATOM 625 C C . ARG A 1 78 ? 2.492 -2.339 -27.717 1.00 23.48 ? 80 ARG A C 1 ATOM 626 O O . ARG A 1 78 ? 2.539 -2.466 -28.957 1.00 22.18 ? 80 ARG A O 1 ATOM 627 C CB . ARG A 1 78 ? 3.160 -4.250 -26.226 1.00 22.09 ? 80 ARG A CB 1 ATOM 628 C CG . ARG A 1 78 ? 4.264 -5.026 -25.504 1.00 34.08 ? 80 ARG A CG 1 ATOM 629 C CD . ARG A 1 78 ? 3.810 -6.419 -25.094 1.00 48.06 ? 80 ARG A CD 1 ATOM 630 N NE . ARG A 1 78 ? 3.738 -7.329 -26.243 1.00 67.54 ? 80 ARG A NE 1 ATOM 631 C CZ . ARG A 1 78 ? 3.245 -8.564 -26.202 1.00 86.52 ? 80 ARG A CZ 1 ATOM 632 N NH1 . ARG A 1 78 ? 2.762 -9.058 -25.066 1.00 77.81 ? 80 ARG A NH1 1 ATOM 633 N NH2 . ARG A 1 78 ? 3.225 -9.314 -27.298 1.00 68.80 ? 80 ARG A NH2 1 ATOM 634 N N . GLU A 1 79 ? 1.498 -1.682 -27.061 1.00 21.02 ? 81 GLU A N 1 ATOM 635 C CA . GLU A 1 79 ? 0.375 -1.053 -27.746 1.00 21.83 ? 81 GLU A CA 1 ATOM 636 C C . GLU A 1 79 ? 0.855 0.076 -28.658 1.00 22.23 ? 81 GLU A C 1 ATOM 637 O O . GLU A 1 79 ? 0.390 0.187 -29.806 1.00 22.58 ? 81 GLU A O 1 ATOM 638 C CB . GLU A 1 79 ? -0.668 -0.527 -26.755 1.00 22.64 ? 81 GLU A CB 1 ATOM 639 C CG . GLU A 1 79 ? -1.973 -0.128 -27.434 1.00 37.79 ? 81 GLU A CG 1 ATOM 640 C CD . GLU A 1 79 ? -2.980 -1.217 -27.776 1.00 69.91 ? 81 GLU A CD 1 ATOM 641 O OE1 . GLU A 1 79 ? -2.572 -2.362 -28.081 1.00 59.09 ? 81 GLU A OE1 1 ATOM 642 O OE2 . GLU A 1 79 ? -4.193 -0.903 -27.773 1.00 71.40 ? 81 GLU A OE2 1 ATOM 643 N N . GLU A 1 80 ? 1.836 0.864 -28.177 1.00 18.15 ? 82 GLU A N 1 ATOM 644 C CA . GLU A 1 80 ? 2.399 1.961 -28.958 1.00 19.10 ? 82 GLU A CA 1 ATOM 645 C C . GLU A 1 80 ? 3.010 1.443 -30.258 1.00 23.50 ? 82 GLU A C 1 ATOM 646 O O . GLU A 1 80 ? 2.813 2.048 -31.320 1.00 24.63 ? 82 GLU A O 1 ATOM 647 C CB . GLU A 1 80 ? 3.458 2.713 -28.148 1.00 21.16 ? 82 GLU A CB 1 ATOM 648 C CG . GLU A 1 80 ? 3.709 4.123 -28.656 1.00 28.88 ? 82 GLU A CG 1 ATOM 649 C CD . GLU A 1 80 ? 2.588 5.110 -28.387 1.00 38.90 ? 82 GLU A CD 1 ATOM 650 O OE1 . GLU A 1 80 ? 1.687 4.797 -27.575 1.00 30.76 ? 82 GLU A OE1 1 ATOM 651 O OE2 . GLU A 1 80 ? 2.619 6.210 -28.981 1.00 30.89 ? 82 GLU A OE2 1 ATOM 652 N N . ARG A 1 81 ? 3.783 0.345 -30.163 1.00 21.24 ? 83 ARG A N 1 ATOM 653 C CA . ARG A 1 81 ? 4.416 -0.262 -31.341 1.00 22.26 ? 83 ARG A CA 1 ATOM 654 C C . ARG A 1 81 ? 3.375 -0.852 -32.274 1.00 25.30 ? 83 ARG A C 1 ATOM 655 O O . ARG A 1 81 ? 3.523 -0.768 -33.499 1.00 25.22 ? 83 ARG A O 1 ATOM 656 C CB . ARG A 1 81 ? 5.431 -1.352 -30.940 1.00 25.61 ? 83 ARG A CB 1 ATOM 657 C CG . ARG A 1 81 ? 6.706 -0.825 -30.312 1.00 27.57 ? 83 ARG A CG 1 ATOM 658 C CD . ARG A 1 81 ? 7.786 -1.899 -30.246 1.00 23.16 ? 83 ARG A CD 1 ATOM 659 N NE . ARG A 1 81 ? 7.559 -2.791 -29.109 1.00 39.38 ? 83 ARG A NE 1 ATOM 660 C CZ . ARG A 1 81 ? 7.132 -4.045 -29.193 1.00 42.68 ? 83 ARG A CZ 1 ATOM 661 N NH1 . ARG A 1 81 ? 6.909 -4.601 -30.374 1.00 33.58 ? 83 ARG A NH1 1 ATOM 662 N NH2 . ARG A 1 81 ? 6.941 -4.759 -28.095 1.00 34.38 ? 83 ARG A NH2 1 ATOM 663 N N . LEU A 1 82 ? 2.323 -1.453 -31.708 1.00 23.22 ? 84 LEU A N 1 ATOM 664 C CA . LEU A 1 82 ? 1.277 -2.089 -32.502 1.00 25.11 ? 84 LEU A CA 1 ATOM 665 C C . LEU A 1 82 ? 0.524 -1.071 -33.384 1.00 29.11 ? 84 LEU A C 1 ATOM 666 O O . LEU A 1 82 ? 0.226 -1.360 -34.541 1.00 29.77 ? 84 LEU A O 1 ATOM 667 C CB . LEU A 1 82 ? 0.303 -2.840 -31.576 1.00 24.89 ? 84 LEU A CB 1 ATOM 668 C CG . LEU A 1 82 ? -0.786 -3.705 -32.232 1.00 31.21 ? 84 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 82 ? -0.190 -4.978 -32.862 1.00 31.79 ? 84 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 82 ? -1.856 -4.076 -31.227 1.00 32.26 ? 84 LEU A CD2 1 ATOM 671 N N . LYS A 1 83 ? 0.285 0.125 -32.841 1.00 24.90 ? 85 LYS A N 1 ATOM 672 C CA . LYS A 1 83 ? -0.466 1.212 -33.450 1.00 24.12 ? 85 LYS A CA 1 ATOM 673 C C . LYS A 1 83 ? 0.388 2.181 -34.293 1.00 27.73 ? 85 LYS A C 1 ATOM 674 O O . LYS A 1 83 ? -0.188 3.051 -34.940 1.00 28.22 ? 85 LYS A O 1 ATOM 675 C CB . LYS A 1 83 ? -1.191 2.000 -32.345 1.00 24.59 ? 85 LYS A CB 1 ATOM 676 C CG . LYS A 1 83 ? -2.394 1.248 -31.799 1.00 26.65 ? 85 LYS A CG 1 ATOM 677 C CD . LYS A 1 83 ? -3.059 2.032 -30.684 1.00 35.69 ? 85 LYS A CD 1 ATOM 678 C CE . LYS A 1 83 ? -4.351 1.385 -30.249 1.00 52.32 ? 85 LYS A CE 1 ATOM 679 N NZ . LYS A 1 83 ? -4.944 2.085 -29.079 1.00 59.02 ? 85 LYS A NZ 1 ATOM 680 N N . ALA A 1 84 ? 1.730 2.058 -34.279 1.00 24.52 ? 86 ALA A N 1 ATOM 681 C CA . ALA A 1 84 ? 2.588 2.958 -35.043 1.00 25.57 ? 86 ALA A CA 1 ATOM 682 C C . ALA A 1 84 ? 2.589 2.580 -36.528 1.00 26.77 ? 86 ALA A C 1 ATOM 683 O O . ALA A 1 84 ? 2.370 1.392 -36.832 1.00 31.79 ? 86 ALA A O 1 ATOM 684 C CB . ALA A 1 84 ? 4.011 2.908 -34.500 1.00 26.68 ? 86 ALA A CB 1 ATOM 685 O OXT . ALA A 1 84 ? 2.867 3.454 -37.379 1.00 37.43 ? 86 ALA A OXT 1 HETATM 686 S S . SO4 B 2 . ? 0.000 9.460 0.000 0.50 17.37 ? 401 SO4 A S 1 HETATM 687 O O1 . SO4 B 2 . ? -0.064 8.614 -1.179 0.50 16.93 ? 401 SO4 A O1 1 HETATM 688 O O2 . SO4 B 2 . ? -1.177 10.307 0.051 0.50 19.81 ? 401 SO4 A O2 1 HETATM 689 O O3 . SO4 B 2 . ? 0.064 8.614 1.179 0.50 16.93 ? 401 SO4 A O3 1 HETATM 690 O O4 . SO4 B 2 . ? 1.177 10.307 -0.051 0.50 19.81 ? 401 SO4 A O4 1 HETATM 691 S S . SO4 C 2 . ? 9.160 4.558 -23.722 0.50 34.65 ? 402 SO4 A S 1 HETATM 692 O O1 . SO4 C 2 . ? 10.114 3.442 -23.808 0.50 36.01 ? 402 SO4 A O1 1 HETATM 693 O O2 . SO4 C 2 . ? 8.709 4.917 -25.065 0.50 36.30 ? 402 SO4 A O2 1 HETATM 694 O O3 . SO4 C 2 . ? 8.016 4.193 -22.923 0.50 34.70 ? 402 SO4 A O3 1 HETATM 695 O O4 . SO4 C 2 . ? 9.831 5.700 -23.129 0.50 32.92 ? 402 SO4 A O4 1 HETATM 696 O O . HOH D 3 . ? 15.302 16.256 -3.307 1.00 27.93 ? 501 HOH A O 1 HETATM 697 O O . HOH D 3 . ? 3.657 8.477 0.390 1.00 21.65 ? 502 HOH A O 1 HETATM 698 O O . HOH D 3 . ? -5.518 8.897 -17.635 1.00 29.96 ? 503 HOH A O 1 HETATM 699 O O . HOH D 3 . ? 9.957 6.929 -20.770 1.00 26.50 ? 504 HOH A O 1 HETATM 700 O O . HOH D 3 . ? -2.326 5.857 -7.262 1.00 27.35 ? 505 HOH A O 1 HETATM 701 O O . HOH D 3 . ? -2.820 -5.047 -15.627 1.00 52.02 ? 506 HOH A O 1 HETATM 702 O O . HOH D 3 . ? 2.647 6.120 -37.085 1.00 37.77 ? 507 HOH A O 1 HETATM 703 O O . HOH D 3 . ? 15.336 8.000 -18.498 1.00 41.55 ? 508 HOH A O 1 HETATM 704 O O . HOH D 3 . ? 2.965 -5.091 2.630 1.00 50.62 ? 509 HOH A O 1 HETATM 705 O O . HOH D 3 . ? 15.204 4.334 -17.976 1.00 25.31 ? 510 HOH A O 1 HETATM 706 O O . HOH D 3 . ? 0.234 -0.262 -37.013 1.00 33.14 ? 511 HOH A O 1 HETATM 707 O O . HOH D 3 . ? 13.272 14.149 -5.529 1.00 45.03 ? 512 HOH A O 1 HETATM 708 O O . HOH D 3 . ? 12.166 12.792 15.744 1.00 29.79 ? 513 HOH A O 1 HETATM 709 O O . HOH D 3 . ? 6.490 16.008 -16.770 1.00 51.02 ? 514 HOH A O 1 HETATM 710 O O . HOH D 3 . ? 10.030 -2.362 13.270 1.00 43.70 ? 515 HOH A O 1 HETATM 711 O O . HOH D 3 . ? 15.310 3.797 7.368 1.00 25.12 ? 516 HOH A O 1 HETATM 712 O O . HOH D 3 . ? -0.647 5.517 -33.862 1.00 49.45 ? 517 HOH A O 1 HETATM 713 O O . HOH D 3 . ? -1.017 4.582 -21.675 1.00 29.58 ? 518 HOH A O 1 HETATM 714 O O . HOH D 3 . ? 5.997 -5.504 -12.952 1.00 34.19 ? 519 HOH A O 1 HETATM 715 O O . HOH D 3 . ? 2.624 -6.302 -18.906 1.00 39.80 ? 520 HOH A O 1 HETATM 716 O O . HOH D 3 . ? 7.726 -5.266 10.112 1.00 54.99 ? 521 HOH A O 1 HETATM 717 O O . HOH D 3 . ? -1.092 0.255 -19.684 1.00 26.79 ? 522 HOH A O 1 HETATM 718 O O . HOH D 3 . ? 14.349 7.337 -15.005 1.00 34.59 ? 523 HOH A O 1 HETATM 719 O O . HOH D 3 . ? 4.276 -0.465 -37.529 1.00 30.05 ? 524 HOH A O 1 HETATM 720 O O . HOH D 3 . ? 0.520 7.492 -5.175 1.00 21.36 ? 525 HOH A O 1 HETATM 721 O O . HOH D 3 . ? 5.154 -2.425 8.471 1.00 22.54 ? 526 HOH A O 1 HETATM 722 O O . HOH D 3 . ? 0.162 2.998 -25.512 1.00 26.97 ? 527 HOH A O 1 HETATM 723 O O . HOH D 3 . ? 1.747 -4.653 -7.390 1.00 23.45 ? 528 HOH A O 1 HETATM 724 O O . HOH D 3 . ? 7.276 8.947 15.473 1.00 28.15 ? 529 HOH A O 1 HETATM 725 O O . HOH D 3 . ? 0.703 6.442 -9.043 1.00 18.61 ? 530 HOH A O 1 HETATM 726 O O . HOH D 3 . ? 0.501 2.133 2.957 1.00 22.85 ? 531 HOH A O 1 HETATM 727 O O . HOH D 3 . ? 3.323 16.784 1.466 1.00 29.70 ? 532 HOH A O 1 HETATM 728 O O . HOH D 3 . ? 10.823 4.556 16.140 1.00 29.40 ? 533 HOH A O 1 HETATM 729 O O . HOH D 3 . ? 1.227 -2.290 0.919 1.00 43.22 ? 534 HOH A O 1 HETATM 730 O O . HOH D 3 . ? -6.337 4.105 -30.461 1.00 45.90 ? 535 HOH A O 1 HETATM 731 O O . HOH D 3 . ? 7.328 -4.031 -33.102 1.00 27.54 ? 536 HOH A O 1 HETATM 732 O O . HOH D 3 . ? 5.141 19.464 -15.154 1.00 66.54 ? 537 HOH A O 1 HETATM 733 O O . HOH D 3 . ? 1.693 7.173 -22.604 1.00 39.32 ? 538 HOH A O 1 HETATM 734 O O . HOH D 3 . ? 7.490 6.749 -19.632 1.00 20.17 ? 539 HOH A O 1 HETATM 735 O O . HOH D 3 . ? 12.217 9.515 -14.843 1.00 35.20 ? 540 HOH A O 1 HETATM 736 O O . HOH D 3 . ? -0.430 -4.310 -25.042 1.00 30.33 ? 541 HOH A O 1 HETATM 737 O O . HOH D 3 . ? -2.394 13.195 -7.016 1.00 24.24 ? 542 HOH A O 1 HETATM 738 O O . HOH D 3 . ? 3.160 6.499 20.988 1.00 30.99 ? 543 HOH A O 1 HETATM 739 O O . HOH D 3 . ? 13.754 5.306 14.078 1.00 36.70 ? 544 HOH A O 1 HETATM 740 O O . HOH D 3 . ? 9.743 11.793 -11.799 1.00 38.26 ? 545 HOH A O 1 HETATM 741 O O . HOH D 3 . ? 10.017 13.421 -9.355 1.00 37.94 ? 546 HOH A O 1 HETATM 742 O O . HOH D 3 . ? 17.733 6.848 13.730 1.00 50.06 ? 547 HOH A O 1 HETATM 743 O O . HOH D 3 . ? 0.060 13.014 -0.100 0.50 27.17 ? 548 HOH A O 1 HETATM 744 O O . HOH D 3 . ? 3.105 -2.649 -35.717 1.00 26.06 ? 549 HOH A O 1 HETATM 745 O O . HOH D 3 . ? 9.422 18.134 -6.537 1.00 34.27 ? 550 HOH A O 1 HETATM 746 O O . HOH D 3 . ? 3.189 17.091 -5.741 1.00 38.96 ? 551 HOH A O 1 HETATM 747 O O . HOH D 3 . ? 5.084 4.146 -23.204 1.00 38.02 ? 552 HOH A O 1 HETATM 748 O O . HOH D 3 . ? 3.944 1.402 20.009 1.00 53.82 ? 553 HOH A O 1 HETATM 749 O O . HOH D 3 . ? 6.965 6.271 21.836 1.00 45.53 ? 554 HOH A O 1 HETATM 750 O O . HOH D 3 . ? 7.513 9.213 -18.190 1.00 21.74 ? 555 HOH A O 1 HETATM 751 O O . HOH D 3 . ? -6.450 -4.201 -18.993 1.00 40.97 ? 556 HOH A O 1 HETATM 752 O O . HOH D 3 . ? 6.606 -7.121 0.835 1.00 39.93 ? 557 HOH A O 1 HETATM 753 O O . HOH D 3 . ? 5.521 17.886 -7.125 1.00 44.49 ? 558 HOH A O 1 HETATM 754 O O . HOH D 3 . ? 1.649 -11.914 -25.376 1.00 50.01 ? 559 HOH A O 1 HETATM 755 O O . HOH D 3 . ? 1.713 19.154 -4.613 1.00 50.29 ? 560 HOH A O 1 HETATM 756 O O . HOH D 3 . ? 6.688 2.697 20.767 1.00 29.34 ? 561 HOH A O 1 HETATM 757 O O . HOH D 3 . ? 1.947 8.263 -26.748 1.00 45.48 ? 562 HOH A O 1 HETATM 758 O O . HOH D 3 . ? 8.838 14.131 -13.676 1.00 45.18 ? 563 HOH A O 1 HETATM 759 O O . HOH D 3 . ? -2.567 14.500 -15.673 1.00 43.36 ? 564 HOH A O 1 HETATM 760 O O . HOH D 3 . ? 3.330 6.865 10.316 1.00 28.25 ? 565 HOH A O 1 HETATM 761 O O . HOH D 3 . ? 7.219 18.830 7.068 1.00 38.19 ? 566 HOH A O 1 HETATM 762 O O . HOH D 3 . ? -1.105 3.306 -27.847 1.00 32.38 ? 567 HOH A O 1 HETATM 763 O O . HOH D 3 . ? 5.464 6.264 -21.365 1.00 32.73 ? 568 HOH A O 1 HETATM 764 O O . HOH D 3 . ? 9.600 14.091 8.308 1.00 25.34 ? 569 HOH A O 1 HETATM 765 O O . HOH D 3 . ? 8.073 16.026 7.154 1.00 26.30 ? 570 HOH A O 1 HETATM 766 O O . HOH D 3 . ? -3.245 2.867 -35.946 1.00 50.19 ? 571 HOH A O 1 HETATM 767 O O . HOH D 3 . ? 8.837 11.048 10.278 1.00 49.34 ? 572 HOH A O 1 HETATM 768 O O . HOH D 3 . ? 2.406 18.280 -9.462 1.00 55.19 ? 573 HOH A O 1 HETATM 769 O O . HOH D 3 . ? 13.627 -0.521 -9.388 1.00 24.45 ? 574 HOH A O 1 HETATM 770 O O . HOH D 3 . ? 10.580 2.291 17.635 1.00 48.11 ? 575 HOH A O 1 HETATM 771 O O . HOH D 3 . ? 4.153 -10.370 -20.123 1.00 60.49 ? 576 HOH A O 1 HETATM 772 O O . HOH D 3 . ? -0.695 4.849 -29.987 1.00 30.04 ? 577 HOH A O 1 HETATM 773 O O . HOH D 3 . ? 14.342 11.590 -12.543 1.00 63.28 ? 578 HOH A O 1 HETATM 774 O O . HOH D 3 . ? 5.989 17.015 -21.792 1.00 61.35 ? 579 HOH A O 1 HETATM 775 O O . HOH D 3 . ? 13.874 1.899 14.012 1.00 53.25 ? 580 HOH A O 1 HETATM 776 O O . HOH D 3 . ? -1.911 -0.184 -22.425 1.00 36.31 ? 581 HOH A O 1 HETATM 777 O O . HOH D 3 . ? 5.315 9.153 -22.468 1.00 49.28 ? 582 HOH A O 1 HETATM 778 O O . HOH D 3 . ? 14.825 3.197 10.109 1.00 27.74 ? 583 HOH A O 1 HETATM 779 O O . HOH D 3 . ? 0.277 -6.887 -23.564 1.00 37.21 ? 584 HOH A O 1 HETATM 780 O O . HOH D 3 . ? 8.211 16.560 -19.474 1.00 49.20 ? 585 HOH A O 1 HETATM 781 O O . HOH D 3 . ? -3.117 15.470 -5.146 1.00 24.80 ? 586 HOH A O 1 HETATM 782 O O . HOH D 3 . ? 7.026 -5.666 -15.479 1.00 36.39 ? 587 HOH A O 1 HETATM 783 O O . HOH D 3 . ? 0.541 5.163 -3.390 1.00 39.70 ? 588 HOH A O 1 HETATM 784 O O . HOH D 3 . ? 1.252 -5.759 -10.106 1.00 42.10 ? 589 HOH A O 1 HETATM 785 O O . HOH D 3 . ? 11.652 10.136 -17.751 1.00 57.24 ? 590 HOH A O 1 HETATM 786 O O . HOH D 3 . ? 2.676 -6.873 -21.620 1.00 40.82 ? 591 HOH A O 1 HETATM 787 O O . HOH D 3 . ? 12.628 -0.490 17.974 1.00 61.86 ? 592 HOH A O 1 HETATM 788 O O . HOH D 3 . ? 0.218 5.330 -23.990 1.00 55.64 ? 593 HOH A O 1 HETATM 789 O O . HOH D 3 . ? 11.834 11.898 -13.608 1.00 42.92 ? 594 HOH A O 1 HETATM 790 O O . HOH D 3 . ? 6.311 9.343 20.346 1.00 37.85 ? 595 HOH A O 1 HETATM 791 O O . HOH D 3 . ? 9.184 12.907 12.250 1.00 50.58 ? 596 HOH A O 1 HETATM 792 O O . HOH D 3 . ? 10.566 -2.824 19.167 1.00 65.97 ? 597 HOH A O 1 HETATM 793 O O . HOH D 3 . ? 7.585 20.800 -12.607 1.00 55.21 ? 598 HOH A O 1 HETATM 794 O O . HOH D 3 . ? -1.719 2.252 -23.604 1.00 34.62 ? 599 HOH A O 1 HETATM 795 O O . HOH D 3 . ? 4.033 12.257 -22.475 1.00 46.35 ? 600 HOH A O 1 HETATM 796 O O . HOH D 3 . ? -8.172 5.316 -28.827 1.00 55.11 ? 601 HOH A O 1 HETATM 797 O O . HOH D 3 . ? 3.383 -4.131 9.472 1.00 34.79 ? 602 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLY A 1 ? 0.4357 0.4685 0.4323 0.0238 0.0603 -0.0345 0 GLY A N 2 C CA . GLY A 1 ? 0.4208 0.4496 0.4175 0.0181 0.0612 -0.0351 0 GLY A CA 3 C C . GLY A 1 ? 0.4148 0.4542 0.4117 0.0114 0.0670 -0.0312 0 GLY A C 4 O O . GLY A 1 ? 0.4137 0.4557 0.4080 0.0092 0.0695 -0.0255 0 GLY A O 5 N N . MSE A 2 ? 0.3198 0.3657 0.3198 0.0087 0.0688 -0.0350 4 MSE A N 6 C CA . MSE A 2 ? 0.2761 0.3327 0.2774 0.0031 0.0734 -0.0330 4 MSE A CA 7 C C . MSE A 2 ? 0.3054 0.3726 0.3062 0.0033 0.0768 -0.0293 4 MSE A C 8 O O . MSE A 2 ? 0.2894 0.3626 0.2909 0.0080 0.0766 -0.0310 4 MSE A O 9 C CB . MSE A 2 ? 0.2914 0.3575 0.2966 0.0036 0.0739 -0.0395 4 MSE A CB 10 C CG . MSE A 2 ? 0.3596 0.4188 0.3656 0.0001 0.0723 -0.0422 4 MSE A CG 11 SE SE . MSE A 2 ? 0.4151 0.4898 0.4252 0.0003 0.0738 -0.0498 4 MSE A SE 12 C CE . MSE A 2 ? 0.3802 0.4563 0.3921 0.0092 0.0706 -0.0584 4 MSE A CE 13 N N . GLU A 3 ? 0.2332 0.3041 0.2333 -0.0019 0.0798 -0.0250 5 GLU A N 14 C CA . GLU A 3 ? 0.2138 0.2938 0.2135 -0.0017 0.0826 -0.0219 5 GLU A CA 15 C C . GLU A 3 ? 0.2337 0.3232 0.2356 -0.0052 0.0851 -0.0219 5 GLU A C 16 O O . GLU A 3 ? 0.2260 0.3141 0.2285 -0.0097 0.0860 -0.0206 5 GLU A O 17 C CB . GLU A 3 ? 0.2374 0.3114 0.2330 -0.0030 0.0831 -0.0161 5 GLU A CB 18 C CG . GLU A 3 ? 0.3682 0.4326 0.3608 0.0009 0.0800 -0.0152 5 GLU A CG 19 C CD . GLU A 3 ? 0.5682 0.6251 0.5556 -0.0015 0.0801 -0.0091 5 GLU A CD 20 O OE1 . GLU A 3 ? 0.3850 0.4443 0.3713 -0.0068 0.0830 -0.0059 5 GLU A OE1 21 O OE2 . GLU A 3 ? 0.5392 0.5883 0.5235 0.0019 0.0771 -0.0079 5 GLU A OE2 22 N N . GLY A 4 ? 0.1936 0.2928 0.1965 -0.0033 0.0859 -0.0236 6 GLY A N 23 C CA . GLY A 4 ? 0.1705 0.2785 0.1748 -0.0055 0.0873 -0.0233 6 GLY A CA 24 C C . GLY A 4 ? 0.2079 0.3187 0.2103 -0.0048 0.0886 -0.0194 6 GLY A C 25 O O . GLY A 4 ? 0.1894 0.2957 0.1895 -0.0031 0.0886 -0.0172 6 GLY A O 26 N N . PRO A 5 ? 0.1847 0.3023 0.1878 -0.0058 0.0893 -0.0186 7 PRO A N 27 C CA . PRO A 5 ? 0.1791 0.2981 0.1804 -0.0050 0.0901 -0.0153 7 PRO A CA 28 C C . PRO A 5 ? 0.1812 0.3008 0.1797 -0.0022 0.0895 -0.0146 7 PRO A C 29 O O . PRO A 5 ? 0.1761 0.2938 0.1727 -0.0012 0.0901 -0.0121 7 PRO A O 30 C CB . PRO A 5 ? 0.2060 0.3313 0.2092 -0.0060 0.0898 -0.0157 7 PRO A CB 31 C CG . PRO A 5 ? 0.2739 0.4020 0.2783 -0.0068 0.0885 -0.0188 7 PRO A CG 32 C CD . PRO A 5 ? 0.2238 0.3470 0.2292 -0.0077 0.0888 -0.0206 7 PRO A CD 33 N N . LEU A 6 ? 0.1736 0.2967 0.1719 -0.0015 0.0885 -0.0171 8 LEU A N 34 C CA . LEU A 6 ? 0.1518 0.2770 0.1478 0.0003 0.0881 -0.0167 8 LEU A CA 35 C C . LEU A 6 ? 0.2137 0.3340 0.2095 0.0028 0.0880 -0.0167 8 LEU A C 36 O O . LEU A 6 ? 0.1924 0.3121 0.1862 0.0041 0.0881 -0.0145 8 LEU A O 37 C CB . LEU A 6 ? 0.1482 0.2798 0.1437 -0.0004 0.0874 -0.0198 8 LEU A CB 38 C CG . LEU A 6 ? 0.2008 0.3370 0.1941 0.0002 0.0872 -0.0198 8 LEU A CG 39 C CD1 . LEU A 6 ? 0.2069 0.3418 0.1973 -0.0004 0.0869 -0.0158 8 LEU A CD1 40 C CD2 . LEU A 6 ? 0.2204 0.3644 0.2127 -0.0018 0.0868 -0.0227 8 LEU A CD2 41 N N . ASN A 7 ? 0.1858 0.3014 0.1833 0.0035 0.0874 -0.0189 9 ASN A N 42 C CA . ASN A 7 ? 0.1909 0.2997 0.1879 0.0062 0.0862 -0.0187 9 ASN A CA 43 C C . ASN A 7 ? 0.2170 0.3204 0.2113 0.0052 0.0870 -0.0138 9 ASN A C 44 O O . ASN A 7 ? 0.1978 0.2989 0.1900 0.0074 0.0862 -0.0121 9 ASN A O 45 C CB . ASN A 7 ? 0.2377 0.3404 0.2364 0.0066 0.0847 -0.0218 9 ASN A CB 46 C CG . ASN A 7 ? 0.5755 0.6688 0.5732 0.0098 0.0822 -0.0217 9 ASN A CG 47 O OD1 . ASN A 7 ? 0.5244 0.6106 0.5191 0.0091 0.0819 -0.0174 9 ASN A OD1 48 N ND2 . ASN A 7 ? 0.4961 0.5888 0.4960 0.0133 0.0799 -0.0268 9 ASN A ND2 49 N N . LEU A 8 ? 0.1564 0.2591 0.1507 0.0017 0.0885 -0.0118 10 LEU A N 50 C CA . LEU A 8 ? 0.1547 0.2542 0.1463 0.0003 0.0897 -0.0078 10 LEU A CA 51 C C . LEU A 8 ? 0.1712 0.2752 0.1610 0.0018 0.0903 -0.0061 10 LEU A C 52 O O . LEU A 8 ? 0.1770 0.2780 0.1637 0.0023 0.0904 -0.0035 10 LEU A O 53 C CB . LEU A 8 ? 0.1641 0.2646 0.1571 -0.0038 0.0914 -0.0070 10 LEU A CB 54 C CG . LEU A 8 ? 0.2597 0.3528 0.2526 -0.0066 0.0909 -0.0069 10 LEU A CG 55 C CD1 . LEU A 8 ? 0.2677 0.3647 0.2627 -0.0114 0.0929 -0.0067 10 LEU A CD1 56 C CD2 . LEU A 8 ? 0.3427 0.4265 0.3307 -0.0070 0.0900 -0.0033 10 LEU A CD2 57 N N . ALA A 9 ? 0.1586 0.2693 0.1496 0.0022 0.0902 -0.0076 11 ALA A N 58 C CA . ALA A 9 ? 0.1662 0.2800 0.1551 0.0032 0.0902 -0.0063 11 ALA A CA 59 C C . ALA A 9 ? 0.1610 0.2737 0.1481 0.0056 0.0891 -0.0060 11 ALA A C 60 O O . ALA A 9 ? 0.1613 0.2726 0.1458 0.0063 0.0892 -0.0039 11 ALA A O 61 C CB . ALA A 9 ? 0.1763 0.2954 0.1660 0.0025 0.0894 -0.0077 11 ALA A CB 62 N N . HIS A 10 ? 0.1455 0.2592 0.1343 0.0069 0.0880 -0.0087 12 HIS A N 63 C CA . HIS A 10 ? 0.1330 0.2473 0.1213 0.0098 0.0866 -0.0096 12 HIS A CA 64 C C . HIS A 10 ? 0.1911 0.2975 0.1774 0.0115 0.0857 -0.0073 12 HIS A C 65 O O . HIS A 10 ? 0.1989 0.3052 0.1832 0.0133 0.0848 -0.0061 12 HIS A O 66 C CB . HIS A 10 ? 0.1310 0.2495 0.1224 0.0112 0.0857 -0.0141 12 HIS A CB 67 C CG . HIS A 10 ? 0.1635 0.2909 0.1553 0.0092 0.0864 -0.0159 12 HIS A CG 68 N ND1 . HIS A 10 ? 0.1922 0.3247 0.1821 0.0083 0.0863 -0.0149 12 HIS A ND1 69 C CD2 . HIS A 10 ? 0.1926 0.3243 0.1858 0.0075 0.0867 -0.0187 12 HIS A CD2 70 C CE1 . HIS A 10 ? 0.1769 0.3159 0.1665 0.0056 0.0866 -0.0164 12 HIS A CE1 71 N NE2 . HIS A 10 ? 0.1863 0.3255 0.1777 0.0052 0.0869 -0.0187 12 HIS A NE2 72 N N . GLN A 11 ? 0.1509 0.2503 0.1370 0.0103 0.0857 -0.0064 13 GLN A N 73 C CA . GLN A 11 ? 0.1588 0.2494 0.1415 0.0106 0.0846 -0.0034 13 GLN A CA 74 C C . GLN A 11 ? 0.1783 0.2694 0.1571 0.0090 0.0861 0.0004 13 GLN A C 75 O O . GLN A 11 ? 0.1941 0.2813 0.1693 0.0104 0.0848 0.0027 13 GLN A O 76 C CB . GLN A 11 ? 0.1921 0.2753 0.1747 0.0079 0.0845 -0.0028 13 GLN A CB 77 C CG . GLN A 11 ? 0.3469 0.4189 0.3245 0.0073 0.0826 0.0010 13 GLN A CG 78 C CD . GLN A 11 ? 0.7693 0.8342 0.7455 0.0024 0.0831 0.0028 13 GLN A CD 79 O OE1 . GLN A 11 ? 0.6958 0.7613 0.6755 0.0009 0.0834 0.0001 13 GLN A OE1 80 N NE2 . GLN A 11 ? 0.7710 0.8287 0.7413 -0.0006 0.0830 0.0075 13 GLN A NE2 81 N N . GLN A 12 ? 0.1400 0.2360 0.1196 0.0063 0.0887 0.0008 14 GLN A N 82 C CA . GLN A 12 ? 0.1421 0.2394 0.1183 0.0053 0.0901 0.0032 14 GLN A CA 83 C C . GLN A 12 ? 0.1913 0.2918 0.1663 0.0079 0.0889 0.0030 14 GLN A C 84 O O . GLN A 12 ? 0.1834 0.2829 0.1546 0.0082 0.0890 0.0051 14 GLN A O 85 C CB . GLN A 12 ? 0.1601 0.2627 0.1383 0.0030 0.0924 0.0025 14 GLN A CB 86 C CG . GLN A 12 ? 0.2198 0.3210 0.1991 -0.0005 0.0940 0.0029 14 GLN A CG 87 C CD . GLN A 12 ? 0.2877 0.3844 0.2623 -0.0029 0.0949 0.0063 14 GLN A CD 88 O OE1 . GLN A 12 ? 0.2980 0.3972 0.2696 -0.0030 0.0961 0.0075 14 GLN A OE1 89 N NE2 . GLN A 12 ? 0.3637 0.4532 0.3367 -0.0050 0.0941 0.0079 14 GLN A NE2 90 N N . SER A 13 ? 0.1629 0.2681 0.1407 0.0092 0.0880 0.0004 15 SER A N 91 C CA . SER A 13 ? 0.1474 0.2563 0.1241 0.0106 0.0869 0.0001 15 SER A CA 92 C C . SER A 13 ? 0.2128 0.3191 0.1879 0.0134 0.0849 0.0007 15 SER A C 93 O O . SER A 13 ? 0.1965 0.3032 0.1687 0.0140 0.0843 0.0021 15 SER A O 94 C CB . SER A 13 ? 0.1606 0.2756 0.1400 0.0101 0.0866 -0.0025 15 SER A CB 95 O OG . SER A 13 ? 0.1873 0.3061 0.1651 0.0101 0.0856 -0.0026 15 SER A OG 96 N N . ARG A 14 ? 0.2027 0.3054 0.1795 0.0153 0.0834 -0.0005 16 ARG A N 97 C CA . ARG A 14 ? 0.2192 0.3182 0.1948 0.0188 0.0804 -0.0002 16 ARG A CA 98 C C . ARG A 14 ? 0.2413 0.3330 0.2110 0.0179 0.0801 0.0042 16 ARG A C 99 O O . ARG A 14 ? 0.2608 0.3524 0.2278 0.0198 0.0783 0.0054 16 ARG A O 100 C CB . ARG A 14 ? 0.2357 0.3305 0.2140 0.0213 0.0782 -0.0027 16 ARG A CB 101 C CG . ARG A 14 ? 0.3228 0.4258 0.3067 0.0224 0.0785 -0.0078 16 ARG A CG 102 C CD . ARG A 14 ? 0.4251 0.5242 0.4118 0.0262 0.0755 -0.0114 16 ARG A CD 103 N NE . ARG A 14 ? 0.4792 0.5673 0.4642 0.0247 0.0751 -0.0096 16 ARG A NE 104 C CZ . ARG A 14 ? 0.6480 0.7365 0.6354 0.0224 0.0766 -0.0116 16 ARG A CZ 105 N NH1 . ARG A 14 ? 0.4629 0.5617 0.4537 0.0214 0.0787 -0.0149 16 ARG A NH1 106 N NH2 . ARG A 14 ? 0.5025 0.5808 0.4881 0.0205 0.0759 -0.0099 16 ARG A NH2 107 N N . ARG A 15 ? 0.1951 0.2820 0.1627 0.0144 0.0820 0.0066 17 ARG A N 108 C CA . ARG A 15 ? 0.1995 0.2807 0.1609 0.0123 0.0824 0.0109 17 ARG A CA 109 C C . ARG A 15 ? 0.2527 0.3394 0.2114 0.0117 0.0839 0.0117 17 ARG A C 110 O O . ARG A 15 ? 0.2299 0.3136 0.1833 0.0120 0.0827 0.0144 17 ARG A O 111 C CB . ARG A 15 ? 0.2175 0.2957 0.1784 0.0077 0.0849 0.0123 17 ARG A CB 112 C CG . ARG A 15 ? 0.3881 0.4616 0.3421 0.0038 0.0859 0.0168 17 ARG A CG 113 C CD . ARG A 15 ? 0.6396 0.7019 0.5877 0.0043 0.0821 0.0203 17 ARG A CD 114 N NE . ARG A 15 ? 0.8114 0.8698 0.7519 -0.0008 0.0835 0.0250 17 ARG A NE 115 C CZ . ARG A 15 ? 1.0487 1.0978 0.9813 -0.0013 0.0803 0.0294 17 ARG A CZ 116 N NH1 . ARG A 15 ? 0.8867 0.9295 0.8189 0.0041 0.0751 0.0292 17 ARG A NH1 117 N NH2 . ARG A 15 ? 0.9207 0.9676 0.8457 -0.0071 0.0820 0.0337 17 ARG A NH2 118 N N . ALA A 16 ? 0.1979 0.2920 0.1599 0.0112 0.0859 0.0094 18 ALA A N 119 C CA . ALA A 16 ? 0.1934 0.2919 0.1532 0.0108 0.0869 0.0094 18 ALA A CA 120 C C . ALA A 16 ? 0.2191 0.3183 0.1767 0.0134 0.0843 0.0096 18 ALA A C 121 O O . ALA A 16 ? 0.1902 0.2890 0.1431 0.0131 0.0843 0.0111 18 ALA A O 122 C CB . ALA A 16 ? 0.2033 0.3073 0.1668 0.0102 0.0881 0.0068 18 ALA A CB 123 N N . ASP A 17 ? 0.1786 0.2795 0.1396 0.0159 0.0820 0.0077 19 ASP A N 124 C CA . ASP A 17 ? 0.1731 0.2764 0.1333 0.0184 0.0793 0.0072 19 ASP A CA 125 C C . ASP A 17 ? 0.2355 0.3321 0.1906 0.0200 0.0770 0.0102 19 ASP A C 126 O O . ASP A 17 ? 0.2429 0.3406 0.1944 0.0206 0.0757 0.0112 19 ASP A O 127 C CB . ASP A 17 ? 0.1926 0.3010 0.1584 0.0207 0.0776 0.0037 19 ASP A CB 128 C CG . ASP A 17 ? 0.2693 0.3848 0.2384 0.0184 0.0793 0.0012 19 ASP A CG 129 O OD1 . ASP A 17 ? 0.2442 0.3598 0.2112 0.0158 0.0809 0.0022 19 ASP A OD1 130 O OD2 . ASP A 17 ? 0.2863 0.4072 0.2598 0.0191 0.0788 -0.0018 19 ASP A OD2 131 N N . ARG A 18 ? 0.2102 0.2994 0.1644 0.0203 0.0761 0.0118 20 ARG A N 132 C CA . ARG A 18 ? 0.2291 0.3094 0.1772 0.0211 0.0732 0.0155 20 ARG A CA 133 C C . ARG A 18 ? 0.2601 0.3395 0.2012 0.0175 0.0753 0.0190 20 ARG A C 134 O O . ARG A 18 ? 0.2499 0.3275 0.1855 0.0184 0.0731 0.0212 20 ARG A O 135 C CB . ARG A 18 ? 0.2483 0.3194 0.1961 0.0205 0.0721 0.0169 20 ARG A CB 136 C CG . ARG A 18 ? 0.3937 0.4647 0.3478 0.0250 0.0691 0.0129 20 ARG A CG 137 C CD . ARG A 18 ? 0.7027 0.7618 0.6550 0.0251 0.0665 0.0145 20 ARG A CD 138 N NE . ARG A 18 ? 0.9339 0.9930 0.8921 0.0305 0.0629 0.0098 20 ARG A NE 139 C CZ . ARG A 18 ? 1.1294 1.1923 1.0938 0.0306 0.0645 0.0056 20 ARG A CZ 140 N NH1 . ARG A 18 ? 0.9727 1.0391 0.9382 0.0256 0.0693 0.0059 20 ARG A NH1 141 N NH2 . ARG A 18 ? 0.9652 1.0292 0.9349 0.0359 0.0612 0.0006 20 ARG A NH2 142 N N . LEU A 19 ? 0.2203 0.3018 0.1617 0.0136 0.0796 0.0191 21 LEU A N 143 C CA . LEU A 19 ? 0.2205 0.3029 0.1558 0.0102 0.0821 0.0213 21 LEU A CA 144 C C . LEU A 19 ? 0.2431 0.3318 0.1772 0.0115 0.0821 0.0197 21 LEU A C 145 O O . LEU A 19 ? 0.2490 0.3368 0.1763 0.0104 0.0819 0.0219 21 LEU A O 146 C CB . LEU A 19 ? 0.2163 0.3020 0.1540 0.0064 0.0864 0.0204 21 LEU A CB 147 C CG . LEU A 19 ? 0.2778 0.3574 0.2156 0.0035 0.0869 0.0223 21 LEU A CG 148 C CD1 . LEU A 19 ? 0.2617 0.3470 0.2049 0.0012 0.0905 0.0197 21 LEU A CD1 149 C CD2 . LEU A 19 ? 0.3169 0.3903 0.2458 -0.0007 0.0869 0.0273 21 LEU A CD2 150 N N . LEU A 20 ? 0.1991 0.2937 0.1390 0.0132 0.0823 0.0160 22 LEU A N 151 C CA . LEU A 20 ? 0.1787 0.2781 0.1174 0.0139 0.0819 0.0143 22 LEU A CA 152 C C . LEU A 20 ? 0.2188 0.3172 0.1540 0.0162 0.0782 0.0155 22 LEU A C 153 O O . LEU A 20 ? 0.2284 0.3282 0.1588 0.0159 0.0779 0.0159 22 LEU A O 154 C CB . LEU A 20 ? 0.1628 0.2671 0.1076 0.0144 0.0821 0.0108 22 LEU A CB 155 C CG . LEU A 20 ? 0.1963 0.3044 0.1399 0.0144 0.0814 0.0088 22 LEU A CG 156 C CD1 . LEU A 20 ? 0.1932 0.3018 0.1335 0.0130 0.0836 0.0082 22 LEU A CD1 157 C CD2 . LEU A 20 ? 0.1735 0.2848 0.1222 0.0139 0.0809 0.0064 22 LEU A CD2 158 N N . ALA A 21 ? 0.2197 0.3158 0.1575 0.0190 0.0751 0.0157 23 ALA A N 159 C CA . ALA A 21 ? 0.2238 0.3193 0.1593 0.0221 0.0708 0.0164 23 ALA A CA 160 C C . ALA A 21 ? 0.2629 0.3515 0.1891 0.0210 0.0696 0.0209 23 ALA A C 161 O O . ALA A 21 ? 0.2801 0.3691 0.2020 0.0225 0.0667 0.0219 23 ALA A O 162 C CB . ALA A 21 ? 0.2357 0.3302 0.1763 0.0259 0.0675 0.0150 23 ALA A CB 163 N N . ALA A 22 ? 0.2241 0.3070 0.1470 0.0179 0.0718 0.0238 24 ALA A N 164 C CA . ALA A 22 ? 0.2440 0.3205 0.1570 0.0153 0.0713 0.0286 24 ALA A CA 165 C C . ALA A 22 ? 0.2994 0.3816 0.2076 0.0117 0.0751 0.0285 24 ALA A C 166 O O . ALA A 22 ? 0.2893 0.3683 0.1885 0.0087 0.0753 0.0322 24 ALA A O 167 C CB . ALA A 22 ? 0.2648 0.3336 0.1764 0.0124 0.0722 0.0315 24 ALA A CB 168 N N . GLY A 23 ? 0.2399 0.3299 0.1533 0.0121 0.0778 0.0241 25 GLY A N 169 C CA . GLY A 23 ? 0.2447 0.3404 0.1547 0.0098 0.0810 0.0225 25 GLY A CA 170 C C . GLY A 23 ? 0.2706 0.3682 0.1808 0.0061 0.0857 0.0223 25 GLY A C 171 O O . GLY A 23 ? 0.2688 0.3714 0.1754 0.0041 0.0886 0.0209 25 GLY A O 172 N N . LYS A 24 ? 0.2335 0.3284 0.1487 0.0053 0.0866 0.0228 26 LYS A N 173 C CA . LYS A 24 ? 0.2378 0.3353 0.1541 0.0016 0.0909 0.0225 26 LYS A CA 174 C C . LYS A 24 ? 0.2405 0.3441 0.1651 0.0033 0.0927 0.0174 26 LYS A C 175 O O . LYS A 24 ? 0.2185 0.3211 0.1492 0.0037 0.0928 0.0166 26 LYS A O 176 C CB . LYS A 24 ? 0.2781 0.3682 0.1941 -0.0008 0.0903 0.0261 26 LYS A CB 177 C CG . LYS A 24 ? 0.3984 0.4804 0.3047 -0.0030 0.0878 0.0317 26 LYS A CG 178 C CD . LYS A 24 ? 0.5218 0.5943 0.4273 -0.0052 0.0862 0.0352 26 LYS A CD 179 C CE . LYS A 24 ? 0.6704 0.7339 0.5645 -0.0089 0.0838 0.0415 26 LYS A CE 180 N NZ . LYS A 24 ? 0.8077 0.8605 0.7002 -0.0121 0.0821 0.0450 26 LYS A NZ 181 N N . TYR A 25 ? 0.2145 0.3239 0.1387 0.0044 0.0936 0.0140 27 TYR A N 182 C CA . TYR A 25 ? 0.1980 0.3117 0.1288 0.0065 0.0940 0.0093 27 TYR A CA 183 C C . TYR A 25 ? 0.2041 0.3214 0.1399 0.0052 0.0970 0.0074 27 TYR A C 184 O O . TYR A 25 ? 0.1830 0.2997 0.1250 0.0065 0.0961 0.0059 27 TYR A O 185 C CB . TYR A 25 ? 0.1937 0.3115 0.1216 0.0079 0.0940 0.0058 27 TYR A CB 186 C CG . TYR A 25 ? 0.1836 0.2987 0.1082 0.0096 0.0905 0.0066 27 TYR A CG 187 C CD1 . TYR A 25 ? 0.1942 0.3080 0.1228 0.0116 0.0877 0.0049 27 TYR A CD1 188 C CD2 . TYR A 25 ? 0.1908 0.3054 0.1078 0.0087 0.0899 0.0090 27 TYR A CD2 189 C CE1 . TYR A 25 ? 0.2116 0.3243 0.1376 0.0126 0.0846 0.0052 27 TYR A CE1 190 C CE2 . TYR A 25 ? 0.2030 0.3158 0.1174 0.0103 0.0864 0.0095 27 TYR A CE2 191 C CZ . TYR A 25 ? 0.2133 0.3259 0.1325 0.0123 0.0839 0.0072 27 TYR A CZ 192 O OH . TYR A 25 ? 0.2539 0.3662 0.1711 0.0134 0.0805 0.0074 27 TYR A OH 193 N N . GLU A 26 ? 0.2070 0.3289 0.1402 0.0021 0.1004 0.0074 28 GLU A N 194 C CA . GLU A 26 ? 0.1859 0.3133 0.1244 0.0007 0.1033 0.0050 28 GLU A CA 195 C C . GLU A 26 ? 0.2425 0.3651 0.1847 -0.0009 0.1029 0.0075 28 GLU A C 196 O O . GLU A 26 ? 0.2244 0.3493 0.1734 0.0003 0.1030 0.0049 28 GLU A O 197 C CB . GLU A 26 ? 0.2076 0.3425 0.1423 -0.0032 0.1073 0.0045 28 GLU A CB 198 C CG . GLU A 26 ? 0.2978 0.4416 0.2393 -0.0036 0.1101 0.0000 28 GLU A CG 199 C CD . GLU A 26 ? 0.3839 0.5380 0.3226 -0.0080 0.1146 -0.0013 28 GLU A CD 200 O OE1 . GLU A 26 ? 0.3234 0.4778 0.2538 -0.0105 0.1155 0.0009 28 GLU A OE1 201 O OE2 . GLU A 26 ? 0.3460 0.5088 0.2907 -0.0090 0.1171 -0.0049 28 GLU A OE2 202 N N . GLU A 27 ? 0.2232 0.3388 0.1610 -0.0031 0.1018 0.0124 29 GLU A N 203 C CA . GLU A 27 ? 0.2119 0.3216 0.1524 -0.0043 0.1009 0.0146 29 GLU A CA 204 C C . GLU A 27 ? 0.2334 0.3410 0.1797 -0.0002 0.0981 0.0126 29 GLU A C 205 O O . GLU A 27 ? 0.2245 0.3317 0.1760 -0.0005 0.0982 0.0116 29 GLU A O 206 C CB . GLU A 27 ? 0.2369 0.3377 0.1705 -0.0067 0.0991 0.0199 29 GLU A CB 207 C CG . GLU A 27 ? 0.3351 0.4375 0.2629 -0.0130 0.1022 0.0226 29 GLU A CG 208 C CD . GLU A 27 ? 0.6597 0.7528 0.5776 -0.0160 0.1000 0.0286 29 GLU A CD 209 O OE1 . GLU A 27 ? 0.6025 0.6851 0.5199 -0.0146 0.0962 0.0312 29 GLU A OE1 210 O OE2 . GLU A 27 ? 0.6967 0.7931 0.6073 -0.0199 0.1020 0.0304 29 GLU A OE2 211 N N . ALA A 28 ? 0.1993 0.3061 0.1445 0.0032 0.0957 0.0120 30 ALA A N 212 C CA . ALA A 28 ? 0.1866 0.2930 0.1368 0.0061 0.0934 0.0100 30 ALA A CA 213 C C . ALA A 28 ? 0.2015 0.3127 0.1568 0.0066 0.0943 0.0065 30 ALA A C 214 O O . ALA A 28 ? 0.1865 0.2973 0.1462 0.0071 0.0935 0.0055 30 ALA A O 215 C CB . ALA A 28 ? 0.2016 0.3073 0.1493 0.0085 0.0907 0.0101 30 ALA A CB 216 N N . ILE A 29 ? 0.1871 0.3027 0.1416 0.0068 0.0957 0.0043 31 ILE A N 217 C CA . ILE A 29 ? 0.1681 0.2875 0.1273 0.0080 0.0957 0.0006 31 ILE A CA 218 C C . ILE A 29 ? 0.2083 0.3299 0.1721 0.0062 0.0975 0.0003 31 ILE A C 219 O O . ILE A 29 ? 0.1968 0.3185 0.1650 0.0071 0.0962 -0.0012 31 ILE A O 220 C CB . ILE A 29 ? 0.1859 0.3099 0.1433 0.0092 0.0966 -0.0025 31 ILE A CB 221 C CG1 . ILE A 29 ? 0.1831 0.3042 0.1376 0.0114 0.0937 -0.0033 31 ILE A CG1 222 C CG2 . ILE A 29 ? 0.2256 0.3549 0.1883 0.0105 0.0972 -0.0066 31 ILE A CG2 223 C CD1 . ILE A 29 ? 0.2052 0.3295 0.1553 0.0122 0.0945 -0.0053 31 ILE A CD1 224 N N . SER A 30 ? 0.1878 0.3107 0.1499 0.0030 0.1003 0.0020 32 SER A N 225 C CA . SER A 30 ? 0.1678 0.2929 0.1340 0.0004 0.1021 0.0017 32 SER A CA 226 C C . SER A 30 ? 0.2049 0.3246 0.1737 0.0007 0.1001 0.0030 32 SER A C 227 O O . SER A 30 ? 0.2088 0.3308 0.1826 0.0007 0.0999 0.0010 32 SER A O 228 C CB . SER A 30 ? 0.1809 0.3068 0.1433 -0.0042 0.1049 0.0043 32 SER A CB 229 O OG . SER A 30 ? 0.3078 0.4418 0.2687 -0.0049 0.1074 0.0020 32 SER A OG 230 N N . CYS A 31 ? 0.1685 0.2816 0.1341 0.0014 0.0981 0.0056 33 CYS A N 231 C CA . CYS A 31 ? 0.1529 0.2622 0.1213 0.0022 0.0963 0.0057 33 CYS A CA 232 C C . CYS A 31 ? 0.1809 0.2931 0.1530 0.0043 0.0948 0.0031 33 CYS A C 233 O O . CYS A 31 ? 0.1833 0.2955 0.1589 0.0040 0.0942 0.0020 33 CYS A O 234 C CB . CYS A 31 ? 0.1810 0.2843 0.1459 0.0035 0.0941 0.0080 33 CYS A CB 235 S SG . CYS A 31 ? 0.2702 0.3663 0.2298 0.0006 0.0943 0.0120 33 CYS A SG 236 N N . HIS A 32 ? 0.1515 0.2652 0.1221 0.0061 0.0936 0.0022 34 HIS A N 237 C CA . HIS A 32 ? 0.1485 0.2635 0.1213 0.0073 0.0916 0.0004 34 HIS A CA 238 C C . HIS A 32 ? 0.1738 0.2919 0.1501 0.0072 0.0919 -0.0018 34 HIS A C 239 O O . HIS A 32 ? 0.1325 0.2440 0.1129 0.0068 0.0826 -0.0023 34 HIS A O 240 C CB . HIS A 32 ? 0.1498 0.2641 0.1194 0.0087 0.0897 0.0001 34 HIS A CB 241 C CG . HIS A 32 ? 0.1885 0.3012 0.1560 0.0089 0.0886 0.0016 34 HIS A CG 242 N ND1 . HIS A 32 ? 0.1895 0.3029 0.1586 0.0085 0.0872 0.0013 34 HIS A ND1 243 C CD2 . HIS A 32 ? 0.1756 0.2872 0.1394 0.0096 0.0884 0.0028 34 HIS A CD2 244 C CE1 . HIS A 32 ? 0.1712 0.2845 0.1385 0.0092 0.0862 0.0020 34 HIS A CE1 245 N NE2 . HIS A 32 ? 0.1644 0.2761 0.1283 0.0100 0.0866 0.0031 34 HIS A NE2 246 N N . LYS A 33 ? 0.1788 0.3003 0.1559 0.0070 0.0938 -0.0029 35 LYS A N 247 C CA . LYS A 33 ? 0.1606 0.2868 0.1420 0.0074 0.0941 -0.0056 35 LYS A CA 248 C C . LYS A 33 ? 0.2111 0.3382 0.1959 0.0049 0.0952 -0.0052 35 LYS A C 249 O O . LYS A 33 ? 0.1973 0.3267 0.1859 0.0054 0.0940 -0.0071 35 LYS A O 250 C CB . LYS A 33 ? 0.1736 0.3054 0.1553 0.0079 0.0961 -0.0078 35 LYS A CB 251 C CG . LYS A 33 ? 0.1841 0.3148 0.1631 0.0110 0.0941 -0.0095 35 LYS A CG 252 C CD . LYS A 33 ? 0.2395 0.3770 0.2184 0.0119 0.0964 -0.0124 35 LYS A CD 253 C CE . LYS A 33 ? 0.2063 0.3520 0.1912 0.0126 0.0974 -0.0163 35 LYS A CE 254 N NZ . LYS A 33 ? 0.2984 0.4519 0.2837 0.0145 0.0989 -0.0207 35 LYS A NZ 255 N N . LYS A 34 ? 0.1756 0.3000 0.1588 0.0024 0.0971 -0.0029 36 LYS A N 256 C CA . LYS A 34 ? 0.1734 0.2970 0.1593 -0.0001 0.0977 -0.0026 36 LYS A CA 257 C C . LYS A 34 ? 0.2105 0.3314 0.1974 0.0011 0.0953 -0.0030 36 LYS A C 258 O O . LYS A 34 ? 0.1814 0.3040 0.1717 0.0004 0.0947 -0.0045 36 LYS A O 259 C CB . LYS A 34 ? 0.2115 0.3306 0.1943 -0.0031 0.0992 0.0002 36 LYS A CB 260 C CG . LYS A 34 ? 0.2334 0.3567 0.2151 -0.0062 0.1022 0.0007 36 LYS A CG 261 C CD . LYS A 34 ? 0.2690 0.3858 0.2447 -0.0091 0.1029 0.0046 36 LYS A CD 262 C CE . LYS A 34 ? 0.3515 0.4738 0.3243 -0.0123 0.1060 0.0052 36 LYS A CE 263 N NZ . LYS A 34 ? 0.4611 0.5764 0.4272 -0.0165 0.1064 0.0098 36 LYS A NZ 264 N N . ALA A 35 ? 0.1721 0.2896 0.1559 0.0028 0.0938 -0.0019 37 ALA A N 265 C CA . ALA A 35 ? 0.1595 0.2766 0.1442 0.0034 0.0918 -0.0027 37 ALA A CA 266 C C . ALA A 35 ? 0.1559 0.2760 0.1422 0.0037 0.0902 -0.0042 37 ALA A C 267 O O . ALA A 35 ? 0.1682 0.2895 0.1562 0.0028 0.0894 -0.0053 37 ALA A O 268 C CB . ALA A 35 ? 0.1702 0.2855 0.1519 0.0049 0.0906 -0.0017 37 ALA A CB 269 N N . ALA A 36 ? 0.1727 0.2938 0.1581 0.0049 0.0894 -0.0046 38 ALA A N 270 C CA . ALA A 36 ? 0.1800 0.3022 0.1663 0.0056 0.0867 -0.0058 38 ALA A CA 271 C C . ALA A 36 ? 0.2039 0.3298 0.1947 0.0051 0.0871 -0.0076 38 ALA A C 272 O O . ALA A 36 ? 0.1931 0.3194 0.1845 0.0047 0.0848 -0.0082 38 ALA A O 273 C CB . ALA A 36 ? 0.1873 0.3088 0.1720 0.0078 0.0853 -0.0065 38 ALA A CB 274 N N . ALA A 37 ? 0.1665 0.2953 0.1600 0.0043 0.0899 -0.0083 39 ALA A N 275 C CA . ALA A 37 ? 0.1481 0.2818 0.1464 0.0032 0.0906 -0.0103 39 ALA A CA 276 C C . ALA A 37 ? 0.1842 0.3164 0.1833 0.0010 0.0905 -0.0101 39 ALA A C 277 O O . ALA A 37 ? 0.2067 0.3415 0.2084 0.0007 0.0889 -0.0117 39 ALA A O 278 C CB . ALA A 37 ? 0.1599 0.2974 0.1600 0.0015 0.0940 -0.0107 39 ALA A CB 279 N N . TYR A 38 ? 0.1403 0.2682 0.1371 -0.0001 0.0917 -0.0085 40 TYR A N 280 C CA . TYR A 38 ? 0.1431 0.2694 0.1408 -0.0016 0.0914 -0.0092 40 TYR A CA 281 C C . TYR A 38 ? 0.1673 0.2945 0.1637 -0.0008 0.0889 -0.0099 40 TYR A C 282 O O . TYR A 38 ? 0.1660 0.2947 0.1639 -0.0019 0.0881 -0.0115 40 TYR A O 283 C CB . TYR A 38 ? 0.1795 0.3005 0.1750 -0.0019 0.0924 -0.0078 40 TYR A CB 284 C CG . TYR A 38 ? 0.2313 0.3500 0.2269 -0.0041 0.0944 -0.0066 40 TYR A CG 285 C CD1 . TYR A 38 ? 0.2648 0.3853 0.2635 -0.0072 0.0954 -0.0077 40 TYR A CD1 286 C CD2 . TYR A 38 ? 0.2408 0.3554 0.2326 -0.0038 0.0951 -0.0040 40 TYR A CD2 287 C CE1 . TYR A 38 ? 0.3110 0.4295 0.3088 -0.0105 0.0973 -0.0060 40 TYR A CE1 288 C CE2 . TYR A 38 ? 0.2703 0.3820 0.2607 -0.0068 0.0968 -0.0022 40 TYR A CE2 289 C CZ . TYR A 38 ? 0.3823 0.4961 0.3755 -0.0105 0.0980 -0.0031 40 TYR A CZ 290 O OH . TYR A 38 ? 0.4266 0.5374 0.4173 -0.0147 0.0996 -0.0008 40 TYR A OH 291 N N . LEU A 39 ? 0.1428 0.2689 0.1358 0.0006 0.0875 -0.0086 41 LEU A N 292 C CA . LEU A 39 ? 0.1396 0.2667 0.1303 0.0001 0.0851 -0.0087 41 LEU A CA 293 C C . LEU A 39 ? 0.1949 0.3239 0.1867 -0.0001 0.0826 -0.0095 41 LEU A C 294 O O . LEU A 39 ? 0.1876 0.3180 0.1782 -0.0016 0.0809 -0.0100 41 LEU A O 295 C CB . LEU A 39 ? 0.1482 0.2734 0.1346 0.0005 0.0839 -0.0069 41 LEU A CB 296 C CG . LEU A 39 ? 0.1915 0.3165 0.1769 0.0006 0.0853 -0.0067 41 LEU A CG 297 C CD1 . LEU A 39 ? 0.1753 0.2985 0.1575 0.0013 0.0848 -0.0050 41 LEU A CD1 298 C CD2 . LEU A 39 ? 0.1857 0.3143 0.1707 -0.0011 0.0850 -0.0082 41 LEU A CD2 299 N N . SER A 40 ? 0.1773 0.3069 0.1712 0.0016 0.0822 -0.0099 42 SER A N 300 C CA . SER A 40 ? 0.1838 0.3157 0.1798 0.0025 0.0794 -0.0113 42 SER A CA 301 C C . SER A 40 ? 0.2253 0.3611 0.2249 0.0006 0.0801 -0.0131 42 SER A C 302 O O . SER A 40 ? 0.2144 0.3514 0.2136 0.0002 0.0771 -0.0137 42 SER A O 303 C CB . SER A 40 ? 0.2270 0.3610 0.2261 0.0052 0.0795 -0.0127 42 SER A CB 304 O OG . SER A 40 ? 0.2450 0.3748 0.2404 0.0072 0.0777 -0.0115 42 SER A OG 305 N N . GLU A 41 ? 0.1869 0.3236 0.1892 -0.0009 0.0836 -0.0138 43 GLU A N 306 C CA . GLU A 41 ? 0.1991 0.3382 0.2045 -0.0031 0.0844 -0.0157 43 GLU A CA 307 C C . GLU A 41 ? 0.2185 0.3564 0.2209 -0.0043 0.0833 -0.0160 43 GLU A C 308 O O . GLU A 41 ? 0.2152 0.3558 0.2182 -0.0054 0.0815 -0.0175 43 GLU A O 309 C CB . GLU A 41 ? 0.2140 0.3521 0.2217 -0.0049 0.0878 -0.0158 43 GLU A CB 310 C CG . GLU A 41 ? 0.2721 0.4138 0.2828 -0.0050 0.0895 -0.0160 43 GLU A CG 311 C CD . GLU A 41 ? 0.4040 0.5440 0.4153 -0.0081 0.0928 -0.0152 43 GLU A CD 312 O OE1 . GLU A 41 ? 0.3292 0.4628 0.3376 -0.0089 0.0934 -0.0138 43 GLU A OE1 313 O OE2 . GLU A 41 ? 0.3686 0.5140 0.3831 -0.0098 0.0945 -0.0161 43 GLU A OE2 314 N N . ALA A 42 ? 0.1741 0.3089 0.1732 -0.0040 0.0844 -0.0148 44 ALA A N 315 C CA . ALA A 42 ? 0.1699 0.3057 0.1666 -0.0051 0.0838 -0.0160 44 ALA A CA 316 C C . ALA A 42 ? 0.1773 0.3154 0.1703 -0.0062 0.0808 -0.0153 44 ALA A C 317 O O . ALA A 42 ? 0.1716 0.3128 0.1633 -0.0080 0.0800 -0.0170 44 ALA A O 318 C CB . ALA A 42 ? 0.1752 0.3091 0.1698 -0.0042 0.0851 -0.0153 44 ALA A CB 319 N N . MSE A 43 ? 0.1721 0.3083 0.1630 -0.0052 0.0787 -0.0130 45 MSE A N 320 C CA . MSE A 43 ? 0.1673 0.3032 0.1534 -0.0065 0.0747 -0.0115 45 MSE A CA 321 C C . MSE A 43 ? 0.2438 0.3824 0.2314 -0.0070 0.0723 -0.0130 45 MSE A C 322 O O . MSE A 43 ? 0.2513 0.3904 0.2342 -0.0091 0.0693 -0.0121 45 MSE A O 323 C CB . MSE A 43 ? 0.1617 0.2931 0.1458 -0.0045 0.0723 -0.0091 45 MSE A CB 324 C CG . MSE A 43 ? 0.1909 0.3196 0.1702 -0.0057 0.0727 -0.0069 45 MSE A CG 325 SE SE . MSE A 43 ? 0.2399 0.3626 0.2185 -0.0024 0.0711 -0.0053 45 MSE A SE 326 C CE . MSE A 43 ? 0.2394 0.3566 0.2119 -0.0032 0.0640 -0.0032 45 MSE A CE 327 N N . LYS A 44 ? 0.2069 0.3478 0.2008 -0.0057 0.0736 -0.0152 46 LYS A N 328 C CA . LYS A 44 ? 0.2165 0.3611 0.2128 -0.0062 0.0714 -0.0171 46 LYS A CA 329 C C . LYS A 44 ? 0.2495 0.3971 0.2450 -0.0091 0.0725 -0.0193 46 LYS A C 330 O O . LYS A 44 ? 0.2575 0.4080 0.2528 -0.0102 0.0700 -0.0206 46 LYS A O 331 C CB . LYS A 44 ? 0.2309 0.3785 0.2346 -0.0048 0.0728 -0.0192 46 LYS A CB 332 C CG . LYS A 44 ? 0.2950 0.4416 0.3000 -0.0015 0.0714 -0.0184 46 LYS A CG 333 C CD . LYS A 44 ? 0.4891 0.6417 0.5004 0.0002 0.0697 -0.0211 46 LYS A CD 334 C CE . LYS A 44 ? 0.6640 0.8164 0.6767 0.0044 0.0676 -0.0213 46 LYS A CE 335 N NZ . LYS A 44 ? 0.8230 0.9763 0.8381 0.0048 0.0722 -0.0215 46 LYS A NZ 336 N N . LEU A 45 ? 0.2033 0.3501 0.1981 -0.0099 0.0757 -0.0200 47 LEU A N 337 C CA . LEU A 45 ? 0.2151 0.3649 0.2097 -0.0118 0.0769 -0.0232 47 LEU A CA 338 C C . LEU A 45 ? 0.2526 0.4050 0.2410 -0.0137 0.0763 -0.0229 47 LEU A C 339 O O . LEU A 45 ? 0.2348 0.3912 0.2227 -0.0151 0.0772 -0.0263 47 LEU A O 340 C CB . LEU A 45 ? 0.2165 0.3639 0.2149 -0.0108 0.0802 -0.0250 47 LEU A CB 341 C CG . LEU A 45 ? 0.2845 0.4299 0.2884 -0.0106 0.0814 -0.0254 47 LEU A CG 342 C CD1 . LEU A 45 ? 0.3017 0.4425 0.3071 -0.0101 0.0839 -0.0263 47 LEU A CD1 343 C CD2 . LEU A 45 ? 0.2757 0.4247 0.2826 -0.0123 0.0800 -0.0281 47 LEU A CD2 344 N N . THR A 46 ? 0.2213 0.3719 0.2047 -0.0142 0.0748 -0.0193 48 THR A N 345 C CA . THR A 46 ? 0.2250 0.3790 0.2020 -0.0174 0.0745 -0.0187 48 THR A CA 346 C C . THR A 46 ? 0.2707 0.4286 0.2433 -0.0206 0.0718 -0.0192 48 THR A C 347 O O . THR A 46 ? 0.2644 0.4204 0.2375 -0.0200 0.0687 -0.0184 48 THR A O 348 C CB . THR A 46 ? 0.2150 0.3654 0.1872 -0.0181 0.0733 -0.0144 48 THR A CB 349 O OG1 . THR A 46 ? 0.2460 0.3912 0.2159 -0.0177 0.0691 -0.0112 48 THR A OG1 350 C CG2 . THR A 46 ? 0.1798 0.3278 0.1554 -0.0154 0.0761 -0.0142 48 THR A CG2 351 N N . GLN A 47 ? 0.2341 0.3983 0.2026 -0.0239 0.0729 -0.0210 49 GLN A N 352 C CA . GLN A 47 ? 0.2278 0.3968 0.1907 -0.0277 0.0706 -0.0216 49 GLN A CA 353 C C . GLN A 47 ? 0.3022 0.4730 0.2555 -0.0329 0.0691 -0.0179 49 GLN A C 354 O O . GLN A 47 ? 0.3096 0.4838 0.2558 -0.0373 0.0668 -0.0172 49 GLN A O 355 C CB . GLN A 47 ? 0.2458 0.4224 0.2118 -0.0278 0.0734 -0.0280 49 GLN A CB 356 C CG . GLN A 47 ? 0.2658 0.4396 0.2395 -0.0244 0.0737 -0.0312 49 GLN A CG 357 C CD . GLN A 47 ? 0.4944 0.6743 0.4704 -0.0247 0.0755 -0.0378 49 GLN A CD 358 O OE1 . GLN A 47 ? 0.4956 0.6831 0.4669 -0.0275 0.0760 -0.0403 49 GLN A OE1 359 N NE2 . GLN A 47 ? 0.3387 0.5153 0.3217 -0.0220 0.0764 -0.0409 49 GLN A NE2 360 N N . SER A 48 ? 0.2460 0.4149 0.1983 -0.0331 0.0705 -0.0157 50 SER A N 361 C CA . SER A 48 ? 0.2393 0.4097 0.1824 -0.0390 0.0691 -0.0119 50 SER A CA 362 C C . SER A 48 ? 0.2707 0.4311 0.2118 -0.0381 0.0666 -0.0066 50 SER A C 363 O O . SER A 48 ? 0.2359 0.3919 0.1838 -0.0330 0.0679 -0.0071 50 SER A O 364 C CB . SER A 48 ? 0.2558 0.4372 0.1989 -0.0415 0.0736 -0.0156 50 SER A CB 365 O OG . SER A 48 ? 0.2875 0.4678 0.2370 -0.0374 0.0763 -0.0168 50 SER A OG 366 N N . GLU A 49 ? 0.2521 0.4087 0.1832 -0.0436 0.0626 -0.0015 51 GLU A N 367 C CA . GLU A 49 ? 0.2549 0.4011 0.1828 -0.0434 0.0594 0.0034 51 GLU A CA 368 C C . GLU A 49 ? 0.2620 0.4112 0.1924 -0.0436 0.0634 0.0026 51 GLU A C 369 O O . GLU A 49 ? 0.2131 0.3550 0.1465 -0.0399 0.0627 0.0040 51 GLU A O 370 C CB . GLU A 49 ? 0.2887 0.4288 0.2040 -0.0501 0.0535 0.0092 51 GLU A CB 371 C CG . GLU A 49 ? 0.4143 0.5407 0.3254 -0.0496 0.0484 0.0143 51 GLU A CG 372 C CD . GLU A 49 ? 0.6692 0.7863 0.5869 -0.0413 0.0454 0.0138 51 GLU A CD 373 O OE1 . GLU A 49 ? 0.6514 0.7714 0.5761 -0.0364 0.0461 0.0104 51 GLU A OE1 374 O OE2 . GLU A 49 ? 0.5024 0.6095 0.4179 -0.0401 0.0422 0.0166 51 GLU A OE2 375 N N . GLN A 50 ? 0.2171 0.3783 0.1474 -0.0472 0.0677 -0.0005 52 GLN A N 376 C CA . GLN A 50 ? 0.2111 0.3765 0.1445 -0.0470 0.0711 -0.0017 52 GLN A CA 377 C C . GLN A 50 ? 0.2146 0.3782 0.1585 -0.0388 0.0738 -0.0051 52 GLN A C 378 O O . GLN A 50 ? 0.1873 0.3461 0.1329 -0.0367 0.0739 -0.0036 52 GLN A O 379 C CB . GLN A 50 ? 0.2252 0.4055 0.1568 -0.0523 0.0748 -0.0050 52 GLN A CB 380 C CG . GLN A 50 ? 0.2465 0.4379 0.1857 -0.0485 0.0790 -0.0123 52 GLN A CG 381 C CD . GLN A 50 ? 0.3082 0.5045 0.2439 -0.0512 0.0783 -0.0141 52 GLN A CD 382 O OE1 . GLN A 50 ? 0.2650 0.4552 0.1930 -0.0550 0.0744 -0.0096 52 GLN A OE1 383 N NE2 . GLN A 50 ? 0.2364 0.4433 0.1775 -0.0488 0.0818 -0.0211 52 GLN A NE2 384 N N . ALA A 51 ? 0.1635 0.3294 0.1136 -0.0346 0.0754 -0.0092 53 ALA A N 385 C CA . ALA A 51 ? 0.1840 0.3471 0.1430 -0.0278 0.0776 -0.0118 53 ALA A CA 386 C C . ALA A 51 ? 0.1943 0.3463 0.1541 -0.0247 0.0750 -0.0082 53 ALA A C 387 O O . ALA A 51 ? 0.1831 0.3316 0.1463 -0.0213 0.0762 -0.0079 53 ALA A O 388 C CB . ALA A 51 ? 0.2059 0.3726 0.1702 -0.0251 0.0792 -0.0165 53 ALA A CB 389 N N . HIS A 52 ? 0.1878 0.3349 0.1440 -0.0257 0.0712 -0.0057 54 HIS A N 390 C CA . HIS A 52 ? 0.1986 0.3365 0.1559 -0.0223 0.0682 -0.0033 54 HIS A CA 391 C C . HIS A 52 ? 0.2112 0.3432 0.1649 -0.0228 0.0666 0.0000 54 HIS A C 392 O O . HIS A 52 ? 0.1891 0.3172 0.1470 -0.0186 0.0675 -0.0002 54 HIS A O 393 C CB . HIS A 52 ? 0.2202 0.3546 0.1742 -0.0230 0.0634 -0.0017 54 HIS A CB 394 C CG . HIS A 52 ? 0.2683 0.3965 0.2266 -0.0178 0.0609 -0.0015 54 HIS A CG 395 N ND1 . HIS A 52 ? 0.2864 0.4176 0.2527 -0.0141 0.0629 -0.0048 54 HIS A ND1 396 C CD2 . HIS A 52 ? 0.2845 0.4045 0.2403 -0.0160 0.0566 0.0011 54 HIS A CD2 397 C CE1 . HIS A 52 ? 0.2803 0.4069 0.2489 -0.0103 0.0601 -0.0044 54 HIS A CE1 398 N NE2 . HIS A 52 ? 0.2918 0.4114 0.2546 -0.0107 0.0562 -0.0012 54 HIS A NE2 399 N N . LEU A 53 ? 0.1939 0.3256 0.1395 -0.0286 0.0647 0.0029 55 LEU A N 400 C CA . LEU A 53 ? 0.1999 0.3256 0.1411 -0.0303 0.0628 0.0061 55 LEU A CA 401 C C . LEU A 53 ? 0.1977 0.3276 0.1440 -0.0281 0.0672 0.0040 55 LEU A C 402 O O . LEU A 53 ? 0.1718 0.2956 0.1187 -0.0257 0.0662 0.0051 55 LEU A O 403 C CB . LEU A 53 ? 0.2104 0.3360 0.1412 -0.0385 0.0601 0.0097 55 LEU A CB 404 C CG . LEU A 53 ? 0.2607 0.3785 0.1839 -0.0411 0.0539 0.0133 55 LEU A CG 405 C CD1 . LEU A 53 ? 0.2601 0.3807 0.1727 -0.0507 0.0525 0.0166 55 LEU A CD1 406 C CD2 . LEU A 53 ? 0.2870 0.3907 0.2083 -0.0377 0.0482 0.0161 55 LEU A CD2 407 N N . SER A 54 ? 0.1629 0.3031 0.1130 -0.0285 0.0715 0.0005 56 SER A N 408 C CA . SER A 54 ? 0.1609 0.3051 0.1160 -0.0259 0.0750 -0.0017 56 SER A CA 409 C C . SER A 54 ? 0.1785 0.3180 0.1401 -0.0193 0.0762 -0.0029 56 SER A C 410 O O . SER A 54 ? 0.1611 0.2982 0.1241 -0.0171 0.0769 -0.0025 56 SER A O 411 C CB . SER A 54 ? 0.1871 0.3431 0.1448 -0.0270 0.0784 -0.0058 56 SER A CB 412 O OG . SER A 54 ? 0.1747 0.3343 0.1371 -0.0240 0.0809 -0.0081 56 SER A OG 413 N N . LEU A 55 ? 0.1436 0.2816 0.1086 -0.0166 0.0762 -0.0042 57 LEU A N 414 C CA . LEU A 55 ? 0.1557 0.2900 0.1263 -0.0116 0.0776 -0.0051 57 LEU A CA 415 C C . LEU A 55 ? 0.1698 0.2967 0.1386 -0.0100 0.0751 -0.0026 57 LEU A C 416 O O . LEU A 55 ? 0.1604 0.2851 0.1317 -0.0070 0.0764 -0.0028 57 LEU A O 417 C CB . LEU A 55 ? 0.1516 0.2870 0.1265 -0.0100 0.0783 -0.0073 57 LEU A CB 418 C CG . LEU A 55 ? 0.2023 0.3435 0.1801 -0.0101 0.0808 -0.0109 57 LEU A CG 419 C CD1 . LEU A 55 ? 0.1901 0.3308 0.1722 -0.0088 0.0812 -0.0129 57 LEU A CD1 420 C CD2 . LEU A 55 ? 0.2253 0.3676 0.2060 -0.0078 0.0833 -0.0123 57 LEU A CD2 421 N N . GLU A 56 ? 0.1456 0.2686 0.1096 -0.0121 0.0710 -0.0005 58 GLU A N 422 C CA . GLU A 56 ? 0.1706 0.2858 0.1325 -0.0102 0.0675 0.0012 58 GLU A CA 423 C C . GLU A 56 ? 0.2001 0.3127 0.1593 -0.0109 0.0677 0.0025 58 GLU A C 424 O O . GLU A 56 ? 0.1950 0.3039 0.1559 -0.0074 0.0675 0.0021 58 GLU A O 425 C CB . GLU A 56 ? 0.2131 0.3232 0.1690 -0.0127 0.0621 0.0035 58 GLU A CB 426 C CG . GLU A 56 ? 0.2931 0.3939 0.2466 -0.0101 0.0572 0.0048 58 GLU A CG 427 C CD . GLU A 56 ? 0.6716 0.7655 0.6187 -0.0121 0.0507 0.0073 58 GLU A CD 428 O OE1 . GLU A 56 ? 0.5316 0.6231 0.4707 -0.0182 0.0486 0.0106 58 GLU A OE1 429 O OE2 . GLU A 56 ? 0.6188 0.7100 0.5686 -0.0079 0.0475 0.0060 58 GLU A OE2 430 N N . LEU A 57 ? 0.1595 0.2755 0.1149 -0.0156 0.0683 0.0036 59 LEU A N 431 C CA . LEU A 57 ? 0.1637 0.2789 0.1169 -0.0168 0.0686 0.0045 59 LEU A CA 432 C C . LEU A 57 ? 0.1682 0.2870 0.1273 -0.0126 0.0726 0.0023 59 LEU A C 433 O O . LEU A 57 ? 0.1561 0.2711 0.1149 -0.0107 0.0721 0.0026 59 LEU A O 434 C CB . LEU A 57 ? 0.1655 0.2864 0.1142 -0.0234 0.0688 0.0055 59 LEU A CB 435 C CG . LEU A 57 ? 0.2401 0.3624 0.1868 -0.0258 0.0691 0.0062 59 LEU A CG 436 C CD1 . LEU A 57 ? 0.2373 0.3485 0.1797 -0.0256 0.0651 0.0085 59 LEU A CD1 437 C CD2 . LEU A 57 ? 0.2483 0.3777 0.1903 -0.0333 0.0693 0.0070 59 LEU A CD2 438 N N . GLN A 58 ? 0.1487 0.2734 0.1128 -0.0109 0.0758 0.0000 60 GLN A N 439 C CA . GLN A 58 ? 0.1535 0.2798 0.1224 -0.0070 0.0789 -0.0017 60 GLN A CA 440 C C . GLN A 58 ? 0.1894 0.3104 0.1600 -0.0034 0.0788 -0.0014 60 GLN A C 441 O O . GLN A 58 ? 0.1569 0.2767 0.1281 -0.0013 0.0800 -0.0013 60 GLN A O 442 C CB . GLN A 58 ? 0.1838 0.3153 0.1569 -0.0061 0.0813 -0.0043 60 GLN A CB 443 C CG . GLN A 58 ? 0.2073 0.3398 0.1842 -0.0028 0.0836 -0.0057 60 GLN A CG 444 C CD . GLN A 58 ? 0.2487 0.3847 0.2293 -0.0017 0.0850 -0.0087 60 GLN A CD 445 O OE1 . GLN A 58 ? 0.2880 0.4213 0.2714 0.0011 0.0861 -0.0094 60 GLN A OE1 446 N NE2 . GLN A 58 ? 0.2186 0.3596 0.1989 -0.0041 0.0849 -0.0104 60 GLN A NE2 447 N N . ARG A 59 ? 0.1703 0.2890 0.1415 -0.0028 0.0773 -0.0015 61 ARG A N 448 C CA . ARG A 59 ? 0.1705 0.2863 0.1439 0.0006 0.0774 -0.0021 61 ARG A CA 449 C C . ARG A 59 ? 0.1904 0.3015 0.1603 0.0015 0.0751 -0.0013 61 ARG A C 450 O O . ARG A 59 ? 0.1805 0.2912 0.1515 0.0038 0.0765 -0.0019 61 ARG A O 451 C CB . ARG A 59 ? 0.1695 0.2855 0.1452 0.0014 0.0759 -0.0031 61 ARG A CB 452 C CG . ARG A 59 ? 0.1911 0.3067 0.1700 0.0049 0.0761 -0.0047 61 ARG A CG 453 C CD . ARG A 59 ? 0.2117 0.3291 0.1938 0.0059 0.0743 -0.0063 61 ARG A CD 454 N NE . ARG A 59 ? 0.2041 0.3169 0.1823 0.0056 0.0691 -0.0053 61 ARG A NE 455 C CZ . ARG A 59 ? 0.3199 0.4331 0.2995 0.0066 0.0660 -0.0062 61 ARG A CZ 456 N NH1 . ARG A 59 ? 0.2633 0.3825 0.2489 0.0077 0.0679 -0.0086 61 ARG A NH1 457 N NH2 . ARG A 59 ? 0.2787 0.3860 0.2533 0.0060 0.0604 -0.0046 61 ARG A NH2 458 N N . ASP A 60 ? 0.1718 0.2791 0.1369 -0.0011 0.0714 0.0003 62 ASP A N 459 C CA . ASP A 60 ? 0.1948 0.2962 0.1559 -0.0007 0.0685 0.0010 62 ASP A CA 460 C C . ASP A 60 ? 0.1947 0.2981 0.1551 -0.0012 0.0707 0.0012 62 ASP A C 461 O O . ASP A 60 ? 0.1863 0.2865 0.1457 0.0008 0.0701 0.0006 62 ASP A O 462 C CB . ASP A 60 ? 0.2519 0.3473 0.2068 -0.0044 0.0635 0.0032 62 ASP A CB 463 C CG . ASP A 60 ? 0.5259 0.6126 0.4771 -0.0030 0.0592 0.0033 62 ASP A CG 464 O OD1 . ASP A 60 ? 0.5562 0.6418 0.5105 0.0021 0.0593 0.0007 62 ASP A OD1 465 O OD2 . ASP A 60 ? 0.6818 0.7633 0.6268 -0.0073 0.0559 0.0056 62 ASP A OD2 466 N N . SER A 61 ? 0.1628 0.2719 0.1241 -0.0034 0.0733 0.0015 63 SER A N 467 C CA . SER A 61 ? 0.1477 0.2596 0.1090 -0.0033 0.0751 0.0014 63 SER A CA 468 C C . SER A 61 ? 0.1600 0.2717 0.1242 0.0009 0.0774 0.0004 63 SER A C 469 O O . SER A 61 ? 0.1818 0.2920 0.1441 0.0019 0.0772 0.0004 63 SER A O 470 C CB . SER A 61 ? 0.1576 0.2768 0.1207 -0.0053 0.0770 0.0009 63 SER A CB 471 O OG . SER A 61 ? 0.2703 0.3908 0.2297 -0.0102 0.0751 0.0019 63 SER A OG 472 N N . HIS A 62 ? 0.1259 0.2317 0.0972 0.0027 0.0708 -0.0003 64 HIS A N 473 C CA . HIS A 62 ? 0.1313 0.2394 0.1029 0.0054 0.0760 -0.0008 64 HIS A CA 474 C C . HIS A 62 ? 0.1513 0.2613 0.1192 0.0075 0.0803 -0.0019 64 HIS A C 475 O O . HIS A 62 ? 0.1574 0.2678 0.1245 0.0090 0.0819 -0.0023 64 HIS A O 476 C CB . HIS A 62 ? 0.1296 0.2382 0.1055 0.0058 0.0765 -0.0014 64 HIS A CB 477 C CG . HIS A 62 ? 0.1538 0.2705 0.1288 0.0054 0.0853 -0.0014 64 HIS A CG 478 N ND1 . HIS A 62 ? 0.1755 0.2918 0.1497 0.0064 0.0864 -0.0006 64 HIS A ND1 479 C CD2 . HIS A 62 ? 0.1729 0.2918 0.1498 0.0042 0.0853 -0.0022 64 HIS A CD2 480 C CE1 . HIS A 62 ? 0.1851 0.3028 0.1612 0.0063 0.0867 -0.0013 64 HIS A CE1 481 N NE2 . HIS A 62 ? 0.1853 0.3052 0.1631 0.0049 0.0863 -0.0024 64 HIS A NE2 482 N N . MSE A 63 ? 0.1304 0.2343 0.0989 0.0074 0.0735 -0.0024 65 MSE A N 483 C CA . MSE A 63 ? 0.1527 0.2562 0.1184 0.0101 0.0748 -0.0044 65 MSE A CA 484 C C . MSE A 63 ? 0.1856 0.2856 0.1467 0.0094 0.0732 -0.0039 65 MSE A C 485 O O . MSE A 63 ? 0.1608 0.2603 0.1211 0.0119 0.0733 -0.0058 65 MSE A O 486 C CB . MSE A 63 ? 0.1800 0.2794 0.1455 0.0109 0.0705 -0.0052 65 MSE A CB 487 C CG . MSE A 63 ? 0.2206 0.3241 0.1910 0.0119 0.0716 -0.0063 65 MSE A CG 488 SE SE . MSE A 63 ? 0.2385 0.3501 0.2150 0.0152 0.0764 -0.0097 65 MSE A SE 489 C CE . MSE A 63 ? 0.2275 0.3428 0.2044 0.0119 0.0818 -0.0070 65 MSE A CE 490 N N . LYS A 64 ? 0.1728 0.2717 0.1311 0.0058 0.0719 -0.0018 66 LYS A N 491 C CA A LYS A 64 ? 0.1748 0.2715 0.1291 0.0043 0.0704 -0.0013 66 LYS A CA 492 C CA B LYS A 64 ? 0.1724 0.2691 0.1268 0.0043 0.0704 -0.0013 66 LYS A CA 493 C C . LYS A 64 ? 0.1986 0.2998 0.1539 0.0058 0.0737 -0.0015 66 LYS A C 494 O O . LYS A 64 ? 0.1899 0.2893 0.1425 0.0068 0.0729 -0.0024 66 LYS A O 495 C CB A LYS A 64 ? 0.2051 0.3018 0.1567 -0.0007 0.0686 0.0009 66 LYS A CB 496 C CB B LYS A 64 ? 0.1975 0.2943 0.1491 -0.0007 0.0686 0.0009 66 LYS A CB 497 C CG A LYS A 64 ? 0.2844 0.3749 0.2330 -0.0030 0.0645 0.0019 66 LYS A CG 498 C CG B LYS A 64 ? 0.2069 0.2983 0.1558 -0.0032 0.0648 0.0020 66 LYS A CG 499 C CD A LYS A 64 ? 0.3904 0.4824 0.3358 -0.0092 0.0633 0.0043 66 LYS A CD 500 C CD B LYS A 64 ? 0.2688 0.3504 0.2137 -0.0021 0.0599 0.0013 66 LYS A CD 501 C CE A LYS A 64 ? 0.5495 0.6337 0.4904 -0.0117 0.0586 0.0059 66 LYS A CE 502 C CE B LYS A 64 ? 0.3368 0.4111 0.2771 -0.0057 0.0549 0.0034 66 LYS A CE 503 N NZ A LYS A 64 ? 0.6988 0.7858 0.6360 -0.0188 0.0580 0.0085 66 LYS A NZ 504 N NZ B LYS A 64 ? 0.4344 0.4979 0.3719 -0.0026 0.0494 0.0020 66 LYS A NZ 505 N N . GLN A 65 ? 0.1567 0.2627 0.1152 0.0062 0.0769 -0.0008 67 GLN A N 506 C CA . GLN A 65 ? 0.1642 0.2729 0.1229 0.0076 0.0795 -0.0005 67 GLN A CA 507 C C . GLN A 65 ? 0.1891 0.2972 0.1471 0.0101 0.0807 -0.0018 67 GLN A C 508 O O . GLN A 65 ? 0.1926 0.3009 0.1478 0.0109 0.0811 -0.0019 67 GLN A O 509 C CB . GLN A 65 ? 0.1790 0.2908 0.1410 0.0076 0.0818 0.0004 67 GLN A CB 510 C CG . GLN A 65 ? 0.1493 0.2642 0.1122 0.0058 0.0810 0.0007 67 GLN A CG 511 C CD . GLN A 65 ? 0.2004 0.3174 0.1617 0.0060 0.0803 0.0010 67 GLN A CD 512 O OE1 . GLN A 65 ? 0.1787 0.2941 0.1376 0.0076 0.0804 0.0013 67 GLN A OE1 513 N NE2 . GLN A 65 ? 0.1758 0.2977 0.1387 0.0046 0.0797 0.0004 67 GLN A NE2 514 N N . LEU A 66 ? 0.1637 0.2720 0.1243 0.0112 0.0813 -0.0032 68 LEU A N 515 C CA . LEU A 66 ? 0.1837 0.2940 0.1444 0.0134 0.0829 -0.0054 68 LEU A CA 516 C C . LEU A 66 ? 0.1645 0.2722 0.1216 0.0149 0.0806 -0.0075 68 LEU A C 517 O O . LEU A 66 ? 0.1679 0.2779 0.1229 0.0159 0.0822 -0.0085 68 LEU A O 518 C CB . LEU A 66 ? 0.1964 0.3085 0.1614 0.0144 0.0832 -0.0073 68 LEU A CB 519 C CG . LEU A 66 ? 0.2733 0.3900 0.2403 0.0167 0.0848 -0.0107 68 LEU A CG 520 C CD1 . LEU A 66 ? 0.2749 0.3952 0.2471 0.0169 0.0857 -0.0119 68 LEU A CD1 521 C CD2 . LEU A 66 ? 0.3105 0.4248 0.2763 0.0198 0.0815 -0.0143 68 LEU A CD2 522 N N . LEU A 67 ? 0.1582 0.2608 0.1141 0.0146 0.0765 -0.0080 69 LEU A N 523 C CA . LEU A 67 ? 0.1970 0.2953 0.1492 0.0159 0.0733 -0.0103 69 LEU A CA 524 C C . LEU A 67 ? 0.2022 0.3010 0.1506 0.0144 0.0737 -0.0091 69 LEU A C 525 O O . LEU A 67 ? 0.1796 0.2790 0.1255 0.0162 0.0739 -0.0114 69 LEU A O 526 C CB . LEU A 67 ? 0.2116 0.3022 0.1621 0.0148 0.0681 -0.0102 69 LEU A CB 527 C CG . LEU A 67 ? 0.3126 0.4013 0.2661 0.0175 0.0660 -0.0122 69 LEU A CG 528 C CD1 . LEU A 67 ? 0.3438 0.4250 0.2950 0.0148 0.0613 -0.0100 69 LEU A CD1 529 C CD2 . LEU A 67 ? 0.3636 0.4510 0.3173 0.0222 0.0641 -0.0172 69 LEU A CD2 530 N N . LEU A 68 ? 0.1812 0.2811 0.1294 0.0115 0.0742 -0.0059 70 LEU A N 531 C CA . LEU A 68 ? 0.1714 0.2730 0.1169 0.0104 0.0742 -0.0049 70 LEU A CA 532 C C . LEU A 68 ? 0.1876 0.2930 0.1322 0.0122 0.0773 -0.0048 70 LEU A C 533 O O . LEU A 68 ? 0.1887 0.2942 0.1297 0.0129 0.0768 -0.0059 70 LEU A O 534 C CB . LEU A 68 ? 0.1656 0.2699 0.1126 0.0077 0.0743 -0.0023 70 LEU A CB 535 C CG . LEU A 68 ? 0.2521 0.3600 0.1979 0.0073 0.0745 -0.0014 70 LEU A CG 536 C CD1 . LEU A 68 ? 0.2757 0.3818 0.2175 0.0060 0.0715 -0.0026 70 LEU A CD1 537 C CD2 . LEU A 68 ? 0.2750 0.3872 0.2238 0.0056 0.0747 -0.0001 70 LEU A CD2 538 N N . ILE A 69 ? 0.1440 0.2486 0.0945 0.0124 0.0756 -0.0032 71 ILE A N 539 C CA . ILE A 69 ? 0.1545 0.2652 0.1002 0.0132 0.0832 -0.0024 71 ILE A CA 540 C C . ILE A 69 ? 0.1910 0.3035 0.1345 0.0146 0.0843 -0.0054 71 ILE A C 541 O O . ILE A 69 ? 0.2003 0.3146 0.1395 0.0146 0.0854 -0.0051 71 ILE A O 542 C CB . ILE A 69 ? 0.1915 0.3033 0.1401 0.0125 0.0856 -0.0002 71 ILE A CB 543 C CG1 . ILE A 69 ? 0.1844 0.2955 0.1348 0.0117 0.0841 0.0018 71 ILE A CG1 544 C CG2 . ILE A 69 ? 0.1592 0.2724 0.1045 0.0120 0.0881 0.0015 71 ILE A CG2 545 C CD1 . ILE A 69 ? 0.2495 0.3607 0.2039 0.0112 0.0855 0.0027 71 ILE A CD1 546 N N . GLN A 70 ? 0.1734 0.2860 0.1197 0.0161 0.0839 -0.0086 72 GLN A N 547 C CA . GLN A 70 ? 0.1892 0.3050 0.1343 0.0182 0.0848 -0.0128 72 GLN A CA 548 C C . GLN A 70 ? 0.2130 0.3267 0.1532 0.0191 0.0824 -0.0147 72 GLN A C 549 O O . GLN A 70 ? 0.2012 0.3189 0.1378 0.0195 0.0843 -0.0162 72 GLN A O 550 C CB . GLN A 70 ? 0.2043 0.3201 0.1540 0.0206 0.0835 -0.0166 72 GLN A CB 551 C CG . GLN A 70 ? 0.2858 0.4074 0.2401 0.0202 0.0870 -0.0165 72 GLN A CG 552 C CD . GLN A 70 ? 0.2991 0.4292 0.2531 0.0208 0.0906 -0.0196 72 GLN A CD 553 O OE1 . GLN A 70 ? 0.2724 0.4043 0.2217 0.0211 0.0913 -0.0210 72 GLN A OE1 554 N NE2 . GLN A 70 ? 0.2522 0.3886 0.2108 0.0205 0.0933 -0.0210 72 GLN A NE2 555 N N . GLU A 71 ? 0.2000 0.3077 0.1394 0.0186 0.0784 -0.0144 73 GLU A N 556 C CA . GLU A 71 ? 0.2234 0.3283 0.1583 0.0187 0.0756 -0.0161 73 GLU A CA 557 C C . GLU A 71 ? 0.2230 0.3311 0.1538 0.0172 0.0771 -0.0135 73 GLU A C 558 O O . GLU A 71 ? 0.2061 0.3157 0.1327 0.0181 0.0770 -0.0158 73 GLU A O 559 C CB . GLU A 71 ? 0.2495 0.3473 0.1841 0.0169 0.0710 -0.0153 73 GLU A CB 560 C CG . GLU A 71 ? 0.4757 0.5691 0.4059 0.0167 0.0672 -0.0179 73 GLU A CG 561 C CD . GLU A 71 ? 0.9056 1.0005 0.8326 0.0139 0.0666 -0.0156 73 GLU A CD 562 O OE1 . GLU A 71 ? 0.9358 1.0318 0.8645 0.0111 0.0666 -0.0120 73 GLU A OE1 563 O OE2 . GLU A 71 ? 0.9151 1.0108 0.8381 0.0147 0.0660 -0.0179 73 GLU A OE2 564 N N . ARG A 72 ? 0.1874 0.2965 0.1195 0.0154 0.0781 -0.0091 74 ARG A N 565 C CA . ARG A 72 ? 0.1817 0.2930 0.1103 0.0146 0.0787 -0.0064 74 ARG A CA 566 C C . ARG A 72 ? 0.2155 0.3304 0.1408 0.0150 0.0820 -0.0061 74 ARG A C 567 O O . ARG A 72 ? 0.2268 0.3431 0.1467 0.0148 0.0818 -0.0055 74 ARG A O 568 C CB . ARG A 72 ? 0.1883 0.2996 0.1197 0.0135 0.0785 -0.0026 74 ARG A CB 569 C CG . ARG A 72 ? 0.2441 0.3541 0.1780 0.0120 0.0755 -0.0029 74 ARG A CG 570 C CD . ARG A 72 ? 0.2658 0.3752 0.1961 0.0112 0.0725 -0.0046 74 ARG A CD 571 N NE . ARG A 72 ? 0.3227 0.4350 0.2495 0.0119 0.0722 -0.0034 74 ARG A NE 572 C CZ . ARG A 72 ? 0.5001 0.6135 0.4242 0.0110 0.0694 -0.0043 74 ARG A CZ 573 N NH1 . ARG A 72 ? 0.3529 0.4642 0.2771 0.0089 0.0668 -0.0064 74 ARG A NH1 574 N NH2 . ARG A 72 ? 0.3928 0.5088 0.3137 0.0120 0.0689 -0.0030 74 ARG A NH2 575 N N . TRP A 73 ? 0.1748 0.2918 0.1030 0.0151 0.0850 -0.0066 75 TRP A N 576 C CA . TRP A 73 ? 0.1899 0.3115 0.1148 0.0142 0.0887 -0.0062 75 TRP A CA 577 C C . TRP A 73 ? 0.2296 0.3550 0.1504 0.0154 0.0890 -0.0107 75 TRP A C 578 O O . TRP A 73 ? 0.2200 0.3486 0.1347 0.0140 0.0906 -0.0096 75 TRP A O 579 C CB . TRP A 73 ? 0.1774 0.3015 0.1073 0.0137 0.0916 -0.0066 75 TRP A CB 580 C CG . TRP A 73 ? 0.1903 0.3200 0.1176 0.0114 0.0957 -0.0059 75 TRP A CG 581 C CD1 . TRP A 73 ? 0.2190 0.3502 0.1389 0.0090 0.0971 -0.0034 75 TRP A CD1 582 C CD2 . TRP A 73 ? 0.1881 0.3230 0.1198 0.0104 0.0989 -0.0075 75 TRP A CD2 583 N NE1 . TRP A 73 ? 0.2181 0.3550 0.1371 0.0059 0.1012 -0.0029 75 TRP A NE1 584 C CE2 . TRP A 73 ? 0.2314 0.3712 0.1581 0.0067 0.1025 -0.0057 75 TRP A CE2 585 C CE3 . TRP A 73 ? 0.1925 0.3283 0.1317 0.0118 0.0989 -0.0099 75 TRP A CE3 586 C CZ2 . TRP A 73 ? 0.2306 0.3777 0.1600 0.0042 0.1065 -0.0069 75 TRP A CZ2 587 C CZ3 . TRP A 73 ? 0.2045 0.3473 0.1468 0.0102 0.1024 -0.0114 75 TRP A CZ3 588 C CH2 . TRP A 73 ? 0.2173 0.3662 0.1551 0.0062 0.1064 -0.0100 75 TRP A CH2 589 N N . LYS A 74 ? 0.1910 0.3157 0.1148 0.0180 0.0872 -0.0159 76 LYS A N 590 C CA . LYS A 74 ? 0.2091 0.3369 0.1298 0.0201 0.0868 -0.0217 76 LYS A CA 591 C C . LYS A 74 ? 0.2367 0.3628 0.1507 0.0192 0.0847 -0.0207 76 LYS A C 592 O O . LYS A 74 ? 0.2119 0.3430 0.1204 0.0190 0.0864 -0.0224 76 LYS A O 593 C CB . LYS A 74 ? 0.2375 0.3613 0.1625 0.0234 0.0834 -0.0268 76 LYS A CB 594 C CG . LYS A 74 ? 0.3158 0.4417 0.2382 0.0265 0.0821 -0.0339 76 LYS A CG 595 C CD . LYS A 74 ? 0.4730 0.5923 0.3989 0.0301 0.0774 -0.0388 76 LYS A CD 596 C CE . LYS A 74 ? 0.6490 0.7706 0.5725 0.0338 0.0760 -0.0467 76 LYS A CE 597 N NZ . LYS A 74 ? 0.8102 0.9245 0.7371 0.0382 0.0708 -0.0521 76 LYS A NZ 598 N N . ARG A 75 ? 0.2245 0.3446 0.1389 0.0184 0.0812 -0.0179 77 ARG A N 599 C CA . ARG A 75 ? 0.2366 0.3557 0.1456 0.0175 0.0788 -0.0167 77 ARG A CA 600 C C . ARG A 75 ? 0.2605 0.3833 0.1641 0.0158 0.0811 -0.0125 77 ARG A C 601 O O . ARG A 75 ? 0.2552 0.3805 0.1523 0.0156 0.0807 -0.0137 77 ARG A O 602 C CB . ARG A 75 ? 0.2279 0.3420 0.1397 0.0163 0.0752 -0.0143 77 ARG A CB 603 C CG . ARG A 75 ? 0.4416 0.5559 0.3491 0.0153 0.0723 -0.0134 77 ARG A CG 604 C CD . ARG A 75 ? 0.5512 0.6632 0.4623 0.0136 0.0693 -0.0115 77 ARG A CD 605 N NE . ARG A 75 ? 0.7152 0.8289 0.6229 0.0126 0.0664 -0.0111 77 ARG A NE 606 C CZ . ARG A 75 ? 0.9673 1.0796 0.8754 0.0106 0.0628 -0.0127 77 ARG A CZ 607 N NH1 . ARG A 75 ? 0.8231 0.9308 0.7340 0.0092 0.0615 -0.0143 77 ARG A NH1 608 N NH2 . ARG A 75 ? 0.8330 0.9483 0.7385 0.0097 0.0603 -0.0125 77 ARG A NH2 609 N N . ALA A 76 ? 0.2152 0.3378 0.1207 0.0145 0.0831 -0.0078 78 ALA A N 610 C CA . ALA A 76 ? 0.2140 0.3376 0.1139 0.0126 0.0843 -0.0030 78 ALA A CA 611 C C . ALA A 76 ? 0.2570 0.3863 0.1514 0.0111 0.0881 -0.0044 78 ALA A C 612 O O . ALA A 76 ? 0.2490 0.3795 0.1352 0.0094 0.0881 -0.0019 78 ALA A O 613 C CB . ALA A 76 ? 0.2086 0.3290 0.1122 0.0117 0.0850 0.0017 78 ALA A CB 614 N N . GLN A 77 ? 0.2278 0.3613 0.1263 0.0117 0.0911 -0.0086 79 GLN A N 615 C CA . GLN A 77 ? 0.2239 0.3657 0.1183 0.0103 0.0951 -0.0115 79 GLN A CA 616 C C . GLN A 77 ? 0.2554 0.4005 0.1438 0.0115 0.0939 -0.0160 79 GLN A C 617 O O . GLN A 77 ? 0.2449 0.3954 0.1255 0.0090 0.0961 -0.0153 79 GLN A O 618 C CB . GLN A 77 ? 0.2222 0.3691 0.1239 0.0118 0.0978 -0.0166 79 GLN A CB 619 C CG . GLN A 77 ? 0.2366 0.3834 0.1428 0.0094 0.1003 -0.0127 79 GLN A CG 620 C CD . GLN A 77 ? 0.2735 0.4263 0.1874 0.0113 0.1023 -0.0182 79 GLN A CD 621 O OE1 . GLN A 77 ? 0.2599 0.4126 0.1778 0.0156 0.1001 -0.0240 79 GLN A OE1 622 N NE2 . GLN A 77 ? 0.2092 0.3673 0.1247 0.0081 0.1063 -0.0167 79 GLN A NE2 623 N N . ARG A 78 ? 0.2398 0.3814 0.1313 0.0149 0.0902 -0.0204 80 ARG A N 624 C CA . ARG A 78 ? 0.2628 0.4064 0.1488 0.0163 0.0884 -0.0254 80 ARG A CA 625 C C . ARG A 78 ? 0.2908 0.4328 0.1687 0.0140 0.0866 -0.0205 80 ARG A C 626 O O . ARG A 78 ? 0.2751 0.4223 0.1452 0.0131 0.0874 -0.0225 80 ARG A O 627 C CB . ARG A 78 ? 0.2705 0.4079 0.1611 0.0196 0.0839 -0.0301 80 ARG A CB 628 C CG . ARG A 78 ? 0.4197 0.5577 0.3174 0.0228 0.0844 -0.0359 80 ARG A CG 629 C CD . ARG A 78 ? 0.5987 0.7289 0.4985 0.0256 0.0790 -0.0405 80 ARG A CD 630 N NE . ARG A 78 ? 0.8464 0.9788 0.7410 0.0275 0.0775 -0.0469 80 ARG A NE 631 C CZ . ARG A 78 ? 1.0894 1.2144 0.9836 0.0294 0.0724 -0.0513 80 ARG A CZ 632 N NH1 . ARG A 78 ? 0.9810 1.0961 0.8793 0.0291 0.0683 -0.0494 80 ARG A NH1 633 N NH2 . ARG A 78 ? 0.8658 0.9931 0.7551 0.0311 0.0712 -0.0577 80 ARG A NH2 634 N N . GLU A 79 ? 0.2612 0.3968 0.1408 0.0133 0.0839 -0.0146 81 GLU A N 635 C CA . GLU A 79 ? 0.2741 0.4079 0.1473 0.0120 0.0812 -0.0098 81 GLU A CA 636 C C . GLU A 79 ? 0.2809 0.4177 0.1459 0.0089 0.0840 -0.0054 81 GLU A C 637 O O . GLU A 79 ? 0.2878 0.4263 0.1440 0.0077 0.0827 -0.0042 81 GLU A O 638 C CB . GLU A 79 ? 0.2847 0.4126 0.1630 0.0125 0.0779 -0.0053 81 GLU A CB 639 C CG . GLU A 79 ? 0.4787 0.6053 0.3518 0.0124 0.0739 -0.0020 81 GLU A CG 640 C CD . GLU A 79 ? 0.8855 1.0127 0.7580 0.0133 0.0700 -0.0058 81 GLU A CD 641 O OE1 . GLU A 79 ? 0.7482 0.8769 0.6200 0.0138 0.0704 -0.0116 81 GLU A OE1 642 O OE2 . GLU A 79 ? 0.9047 1.0309 0.7772 0.0137 0.0661 -0.0033 81 GLU A OE2 643 N N . GLU A 80 ? 0.2282 0.3658 0.0955 0.0070 0.0877 -0.0030 82 GLU A N 644 C CA . GLU A 80 ? 0.2422 0.3820 0.1014 0.0027 0.0905 0.0017 82 GLU A CA 645 C C . GLU A 80 ? 0.2976 0.4464 0.1489 0.0009 0.0934 -0.0024 82 GLU A C 646 O O . GLU A 80 ? 0.3151 0.4649 0.1558 -0.0024 0.0932 0.0015 82 GLU A O 647 C CB . GLU A 80 ? 0.2665 0.4067 0.1307 0.0006 0.0943 0.0037 82 GLU A CB 648 C CG . GLU A 80 ? 0.3678 0.5055 0.2239 -0.0045 0.0955 0.0110 82 GLU A CG 649 C CD . GLU A 80 ? 0.4990 0.6259 0.3531 -0.0039 0.0905 0.0180 82 GLU A CD 650 O OE1 . GLU A 80 ? 0.3949 0.5175 0.2562 0.0003 0.0869 0.0170 82 GLU A OE1 651 O OE2 . GLU A 80 ? 0.4018 0.5245 0.2472 -0.0079 0.0899 0.0243 82 GLU A OE2 652 N N . ARG A 81 ? 0.2651 0.4207 0.1214 0.0032 0.0957 -0.0105 83 ARG A N 653 C CA . ARG A 81 ? 0.2766 0.4426 0.1267 0.0024 0.0986 -0.0164 83 ARG A CA 654 C C . ARG A 81 ? 0.3178 0.4825 0.1608 0.0036 0.0947 -0.0178 83 ARG A C 655 O O . ARG A 81 ? 0.3180 0.4892 0.1510 0.0009 0.0963 -0.0184 83 ARG A O 656 C CB . ARG A 81 ? 0.3140 0.4867 0.1724 0.0060 0.1009 -0.0257 83 ARG A CB 657 C CG . ARG A 81 ? 0.3350 0.5134 0.1993 0.0044 0.1056 -0.0259 83 ARG A CG 658 C CD . ARG A 81 ? 0.2737 0.4617 0.1446 0.0082 0.1078 -0.0363 83 ARG A CD 659 N NE . ARG A 81 ? 0.4785 0.6586 0.3591 0.0139 0.1038 -0.0396 83 ARG A NE 660 C CZ . ARG A 81 ? 0.5211 0.6977 0.4030 0.0186 0.0998 -0.0458 83 ARG A CZ 661 N NH1 . ARG A 81 ? 0.4066 0.5878 0.2814 0.0191 0.0995 -0.0504 83 ARG A NH1 662 N NH2 . ARG A 81 ? 0.4161 0.5842 0.3058 0.0225 0.0959 -0.0476 83 ARG A NH2 663 N N . LEU A 82 ? 0.2925 0.4496 0.1402 0.0071 0.0897 -0.0184 84 LEU A N 664 C CA . LEU A 82 ? 0.3187 0.4746 0.1608 0.0082 0.0855 -0.0203 84 LEU A CA 665 C C . LEU A 82 ? 0.3733 0.5277 0.2049 0.0050 0.0837 -0.0130 84 LEU A C 666 O O . LEU A 82 ? 0.3834 0.5417 0.2061 0.0041 0.0827 -0.0147 84 LEU A O 667 C CB . LEU A 82 ? 0.3159 0.4640 0.1658 0.0114 0.0807 -0.0217 84 LEU A CB 668 C CG . LEU A 82 ? 0.3976 0.5445 0.2437 0.0125 0.0760 -0.0248 84 LEU A CG 669 C CD1 . LEU A 82 ? 0.4040 0.5554 0.2486 0.0144 0.0766 -0.0343 84 LEU A CD1 670 C CD2 . LEU A 82 ? 0.4109 0.5505 0.2642 0.0138 0.0714 -0.0237 84 LEU A CD2 671 N N . LYS A 83 ? 0.3217 0.4702 0.1541 0.0034 0.0830 -0.0051 85 LYS A N 672 C CA . LYS A 83 ? 0.3162 0.4605 0.1398 0.0012 0.0800 0.0027 85 LYS A CA 673 C C . LYS A 83 ? 0.3644 0.5117 0.1774 -0.0043 0.0836 0.0074 85 LYS A C 674 O O . LYS A 83 ? 0.3753 0.5181 0.1789 -0.0065 0.0805 0.0140 85 LYS A O 675 C CB . LYS A 83 ? 0.3228 0.4582 0.1534 0.0029 0.0767 0.0082 85 LYS A CB 676 C CG . LYS A 83 ? 0.3473 0.4804 0.1850 0.0069 0.0720 0.0054 85 LYS A CG 677 C CD . LYS A 83 ? 0.4615 0.5881 0.3065 0.0086 0.0692 0.0098 85 LYS A CD 678 C CE . LYS A 83 ? 0.6702 0.7965 0.5212 0.0115 0.0646 0.0073 85 LYS A CE 679 N NZ . LYS A 83 ? 0.7537 0.8759 0.6129 0.0134 0.0625 0.0103 85 LYS A NZ 680 N N . ALA A 84 ? 0.3209 0.4758 0.1351 -0.0067 0.0897 0.0040 86 ALA A N 681 C CA . ALA A 84 ? 0.3362 0.4953 0.1402 -0.0132 0.0937 0.0084 86 ALA A CA 682 C C . ALA A 84 ? 0.3528 0.5201 0.1443 -0.0158 0.0944 0.0061 86 ALA A C 683 O O . ALA A 84 ? 0.4139 0.5864 0.2075 -0.0121 0.0938 -0.0018 86 ALA A O 684 C CB . ALA A 84 ? 0.3455 0.5122 0.1562 -0.0150 0.1001 0.0047 86 ALA A CB 685 O OXT . ALA A 84 ? 0.4915 0.6599 0.2706 -0.0221 0.0957 0.0119 86 ALA A OXT # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 0 0 GLY GLY A . n A 1 2 MSE 2 4 4 MSE MSE A . n A 1 3 GLU 3 5 5 GLU GLU A . n A 1 4 GLY 4 6 6 GLY GLY A . n A 1 5 PRO 5 7 7 PRO PRO A . n A 1 6 LEU 6 8 8 LEU LEU A . n A 1 7 ASN 7 9 9 ASN ASN A . n A 1 8 LEU 8 10 10 LEU LEU A . n A 1 9 ALA 9 11 11 ALA ALA A . n A 1 10 HIS 10 12 12 HIS HIS A . n A 1 11 GLN 11 13 13 GLN GLN A . n A 1 12 GLN 12 14 14 GLN GLN A . n A 1 13 SER 13 15 15 SER SER A . n A 1 14 ARG 14 16 16 ARG ARG A . n A 1 15 ARG 15 17 17 ARG ARG A . n A 1 16 ALA 16 18 18 ALA ALA A . n A 1 17 ASP 17 19 19 ASP ASP A . n A 1 18 ARG 18 20 20 ARG ARG A . n A 1 19 LEU 19 21 21 LEU LEU A . n A 1 20 LEU 20 22 22 LEU LEU A . n A 1 21 ALA 21 23 23 ALA ALA A . n A 1 22 ALA 22 24 24 ALA ALA A . n A 1 23 GLY 23 25 25 GLY GLY A . n A 1 24 LYS 24 26 26 LYS LYS A . n A 1 25 TYR 25 27 27 TYR TYR A . n A 1 26 GLU 26 28 28 GLU GLU A . n A 1 27 GLU 27 29 29 GLU GLU A . n A 1 28 ALA 28 30 30 ALA ALA A . n A 1 29 ILE 29 31 31 ILE ILE A . n A 1 30 SER 30 32 32 SER SER A . n A 1 31 CYS 31 33 33 CYS CYS A . n A 1 32 HIS 32 34 34 HIS HIS A . n A 1 33 LYS 33 35 35 LYS LYS A . n A 1 34 LYS 34 36 36 LYS LYS A . n A 1 35 ALA 35 37 37 ALA ALA A . n A 1 36 ALA 36 38 38 ALA ALA A . n A 1 37 ALA 37 39 39 ALA ALA A . n A 1 38 TYR 38 40 40 TYR TYR A . n A 1 39 LEU 39 41 41 LEU LEU A . n A 1 40 SER 40 42 42 SER SER A . n A 1 41 GLU 41 43 43 GLU GLU A . n A 1 42 ALA 42 44 44 ALA ALA A . n A 1 43 MSE 43 45 45 MSE MSE A . n A 1 44 LYS 44 46 46 LYS LYS A . n A 1 45 LEU 45 47 47 LEU LEU A . n A 1 46 THR 46 48 48 THR THR A . n A 1 47 GLN 47 49 49 GLN GLN A . n A 1 48 SER 48 50 50 SER SER A . n A 1 49 GLU 49 51 51 GLU GLU A . n A 1 50 GLN 50 52 52 GLN GLN A . n A 1 51 ALA 51 53 53 ALA ALA A . n A 1 52 HIS 52 54 54 HIS HIS A . n A 1 53 LEU 53 55 55 LEU LEU A . n A 1 54 SER 54 56 56 SER SER A . n A 1 55 LEU 55 57 57 LEU LEU A . n A 1 56 GLU 56 58 58 GLU GLU A . n A 1 57 LEU 57 59 59 LEU LEU A . n A 1 58 GLN 58 60 60 GLN GLN A . n A 1 59 ARG 59 61 61 ARG ARG A . n A 1 60 ASP 60 62 62 ASP ASP A . n A 1 61 SER 61 63 63 SER SER A . n A 1 62 HIS 62 64 64 HIS HIS A . n A 1 63 MSE 63 65 65 MSE MSE A . n A 1 64 LYS 64 66 66 LYS LYS A . n A 1 65 GLN 65 67 67 GLN GLN A . n A 1 66 LEU 66 68 68 LEU LEU A . n A 1 67 LEU 67 69 69 LEU LEU A . n A 1 68 LEU 68 70 70 LEU LEU A . n A 1 69 ILE 69 71 71 ILE ILE A . n A 1 70 GLN 70 72 72 GLN GLN A . n A 1 71 GLU 71 73 73 GLU GLU A . n A 1 72 ARG 72 74 74 ARG ARG A . n A 1 73 TRP 73 75 75 TRP TRP A . n A 1 74 LYS 74 76 76 LYS LYS A . n A 1 75 ARG 75 77 77 ARG ARG A . n A 1 76 ALA 76 78 78 ALA ALA A . n A 1 77 GLN 77 79 79 GLN GLN A . n A 1 78 ARG 78 80 80 ARG ARG A . n A 1 79 GLU 79 81 81 GLU GLU A . n A 1 80 GLU 80 82 82 GLU GLU A . n A 1 81 ARG 81 83 83 ARG ARG A . n A 1 82 LEU 82 84 84 LEU LEU A . n A 1 83 LYS 83 85 85 LYS LYS A . n A 1 84 ALA 84 86 86 ALA ALA A . n # loop_ _pdbx_SG_project.id _pdbx_SG_project.project_name _pdbx_SG_project.full_name_of_center _pdbx_SG_project.initial_of_center 1 PSI:Biology 'Joint Center for Structural Genomics' JCSG 2 PSI:Biology 'Partnership for Nuclear Receptor Signaling Code Biology' NHRs # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 SO4 1 401 401 SO4 SO4 A . C 2 SO4 1 402 402 SO4 SO4 A . D 3 HOH 1 501 427 HOH HOH A . D 3 HOH 2 502 425 HOH HOH A . D 3 HOH 3 503 422 HOH HOH A . D 3 HOH 4 504 435 HOH HOH A . D 3 HOH 5 505 433 HOH HOH A . D 3 HOH 6 506 447 HOH HOH A . D 3 HOH 7 507 455 HOH HOH A . D 3 HOH 8 508 436 HOH HOH A . D 3 HOH 9 509 491 HOH HOH A . D 3 HOH 10 510 417 HOH HOH A . D 3 HOH 11 511 463 HOH HOH A . D 3 HOH 12 512 430 HOH HOH A . D 3 HOH 13 513 419 HOH HOH A . D 3 HOH 14 514 453 HOH HOH A . D 3 HOH 15 515 450 HOH HOH A . D 3 HOH 16 516 411 HOH HOH A . D 3 HOH 17 517 449 HOH HOH A . D 3 HOH 18 518 442 HOH HOH A . D 3 HOH 19 519 428 HOH HOH A . D 3 HOH 20 520 467 HOH HOH A . D 3 HOH 21 521 420 HOH HOH A . D 3 HOH 22 522 408 HOH HOH A . D 3 HOH 23 523 434 HOH HOH A . D 3 HOH 24 524 437 HOH HOH A . D 3 HOH 25 525 406 HOH HOH A . D 3 HOH 26 526 403 HOH HOH A . D 3 HOH 27 527 409 HOH HOH A . D 3 HOH 28 528 421 HOH HOH A . D 3 HOH 29 529 487 HOH HOH A . D 3 HOH 30 530 415 HOH HOH A . D 3 HOH 31 531 488 HOH HOH A . D 3 HOH 32 532 446 HOH HOH A . D 3 HOH 33 533 429 HOH HOH A . D 3 HOH 34 534 439 HOH HOH A . D 3 HOH 35 535 457 HOH HOH A . D 3 HOH 36 536 413 HOH HOH A . D 3 HOH 37 537 445 HOH HOH A . D 3 HOH 38 538 464 HOH HOH A . D 3 HOH 39 539 412 HOH HOH A . D 3 HOH 40 540 458 HOH HOH A . D 3 HOH 41 541 424 HOH HOH A . D 3 HOH 42 542 503 HOH HOH A . D 3 HOH 43 543 438 HOH HOH A . D 3 HOH 44 544 461 HOH HOH A . D 3 HOH 45 545 451 HOH HOH A . D 3 HOH 46 546 471 HOH HOH A . D 3 HOH 47 547 462 HOH HOH A . D 3 HOH 48 548 468 HOH HOH A . D 3 HOH 49 549 490 HOH HOH A . D 3 HOH 50 550 497 HOH HOH A . D 3 HOH 51 551 459 HOH HOH A . D 3 HOH 52 552 493 HOH HOH A . D 3 HOH 53 553 452 HOH HOH A . D 3 HOH 54 554 444 HOH HOH A . D 3 HOH 55 555 407 HOH HOH A . D 3 HOH 56 556 431 HOH HOH A . D 3 HOH 57 557 454 HOH HOH A . D 3 HOH 58 558 476 HOH HOH A . D 3 HOH 59 559 469 HOH HOH A . D 3 HOH 60 560 478 HOH HOH A . D 3 HOH 61 561 410 HOH HOH A . D 3 HOH 62 562 480 HOH HOH A . D 3 HOH 63 563 466 HOH HOH A . D 3 HOH 64 564 485 HOH HOH A . D 3 HOH 65 565 423 HOH HOH A . D 3 HOH 66 566 414 HOH HOH A . D 3 HOH 67 567 443 HOH HOH A . D 3 HOH 68 568 492 HOH HOH A . D 3 HOH 69 569 426 HOH HOH A . D 3 HOH 70 570 404 HOH HOH A . D 3 HOH 71 571 473 HOH HOH A . D 3 HOH 72 572 498 HOH HOH A . D 3 HOH 73 573 460 HOH HOH A . D 3 HOH 74 574 405 HOH HOH A . D 3 HOH 75 575 475 HOH HOH A . D 3 HOH 76 576 448 HOH HOH A . D 3 HOH 77 577 440 HOH HOH A . D 3 HOH 78 578 456 HOH HOH A . D 3 HOH 79 579 432 HOH HOH A . D 3 HOH 80 580 484 HOH HOH A . D 3 HOH 81 581 479 HOH HOH A . D 3 HOH 82 582 441 HOH HOH A . D 3 HOH 83 583 416 HOH HOH A . D 3 HOH 84 584 486 HOH HOH A . D 3 HOH 85 585 465 HOH HOH A . D 3 HOH 86 586 504 HOH HOH A . D 3 HOH 87 587 496 HOH HOH A . D 3 HOH 88 588 489 HOH HOH A . D 3 HOH 89 589 495 HOH HOH A . D 3 HOH 90 590 418 HOH HOH A . D 3 HOH 91 591 482 HOH HOH A . D 3 HOH 92 592 477 HOH HOH A . D 3 HOH 93 593 474 HOH HOH A . D 3 HOH 94 594 470 HOH HOH A . D 3 HOH 95 595 502 HOH HOH A . D 3 HOH 96 596 501 HOH HOH A . D 3 HOH 97 597 483 HOH HOH A . D 3 HOH 98 598 500 HOH HOH A . D 3 HOH 99 599 494 HOH HOH A . D 3 HOH 100 600 481 HOH HOH A . D 3 HOH 101 601 472 HOH HOH A . D 3 HOH 102 602 499 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A MSE 2 A MSE 4 ? MET 'modified residue' 2 A MSE 43 A MSE 45 ? MET 'modified residue' 3 A MSE 63 A MSE 65 ? MET 'modified residue' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D 2 1,2 A,B,C,D # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 2 'ABSA (A^2)' 2680 ? 2 MORE -46 ? 2 'SSA (A^2)' 10210 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_555 -x,y,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A SO4 401 ? B SO4 . 2 1 A HOH 548 ? D HOH . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-05-06 2 'Structure model' 1 1 2017-11-22 3 'Structure model' 1 2 2018-01-24 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Derived calculations' 2 2 'Structure model' 'Refinement description' 3 2 'Structure model' 'Source and taxonomy' 4 2 'Structure model' 'Structure summary' 5 3 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' audit_author 2 2 'Structure model' entity_src_gen 3 2 'Structure model' pdbx_struct_oper_list 4 2 'Structure model' software 5 3 'Structure model' citation_author # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_audit_author.name' 2 2 'Structure model' '_entity_src_gen.pdbx_alt_source_flag' 3 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' 4 3 'Structure model' '_citation_author.name' # _pdbx_refine_tls.id 1 _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 5.8667 _pdbx_refine_tls.origin_y 5.6877 _pdbx_refine_tls.origin_z -6.0783 _pdbx_refine_tls.T[1][1] -0.0469 _pdbx_refine_tls.T[1][1]_esd ? _pdbx_refine_tls.T[1][2] 0.0081 _pdbx_refine_tls.T[1][2]_esd ? _pdbx_refine_tls.T[1][3] 0.0891 _pdbx_refine_tls.T[1][3]_esd ? _pdbx_refine_tls.T[2][2] 0.0666 _pdbx_refine_tls.T[2][2]_esd ? _pdbx_refine_tls.T[2][3] 0.0008 _pdbx_refine_tls.T[2][3]_esd ? _pdbx_refine_tls.T[3][3] -0.0762 _pdbx_refine_tls.T[3][3]_esd ? _pdbx_refine_tls.L[1][1] 0.7284 _pdbx_refine_tls.L[1][1]_esd ? _pdbx_refine_tls.L[1][2] 0.2111 _pdbx_refine_tls.L[1][2]_esd ? _pdbx_refine_tls.L[1][3] 0.4411 _pdbx_refine_tls.L[1][3]_esd ? _pdbx_refine_tls.L[2][2] 0.4439 _pdbx_refine_tls.L[2][2]_esd ? _pdbx_refine_tls.L[2][3] 0.3387 _pdbx_refine_tls.L[2][3]_esd ? _pdbx_refine_tls.L[3][3] 1.0412 _pdbx_refine_tls.L[3][3]_esd ? _pdbx_refine_tls.S[1][1] 0.0285 _pdbx_refine_tls.S[1][1]_esd ? _pdbx_refine_tls.S[1][2] 0.0443 _pdbx_refine_tls.S[1][2]_esd ? _pdbx_refine_tls.S[1][3] 0.0377 _pdbx_refine_tls.S[1][3]_esd ? _pdbx_refine_tls.S[2][1] -0.0622 _pdbx_refine_tls.S[2][1]_esd ? _pdbx_refine_tls.S[2][2] 0.0025 _pdbx_refine_tls.S[2][2]_esd ? _pdbx_refine_tls.S[2][3] -0.0372 _pdbx_refine_tls.S[2][3]_esd ? _pdbx_refine_tls.S[3][1] -0.0164 _pdbx_refine_tls.S[3][1]_esd ? _pdbx_refine_tls.S[3][2] 0.0212 _pdbx_refine_tls.S[3][2]_esd ? _pdbx_refine_tls.S[3][3] -0.0310 _pdbx_refine_tls.S[3][3]_esd ? # _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.beg_auth_asym_id A _pdbx_refine_tls_group.beg_auth_seq_id 0 _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id A _pdbx_refine_tls_group.end_auth_seq_id 86 _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details '{A|0 - 86}' # _phasing.method MAD # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.10 1 ? phasing ? ? ? ? ? ? ? ? ? ? ? SOLVE ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? 'November 3, 2014 BUILT=20141118' 3 ? refinement ? ? ? ? ? ? ? ? ? ? ? BUSTER-TNT ? ? ? 2.10.2 4 ? refinement ? ? ? ? ? ? ? ? ? ? ? BUSTER ? ? ? 2.10.2 5 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 6 # _pdbx_entry_details.compound_details ? _pdbx_entry_details.entry_id 4ZEY _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THE CONSTRUCT (4-86) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. ; _pdbx_entry_details.source_details ? # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id MSE _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 4 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -37.68 _pdbx_validate_torsion.psi 144.07 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'SULFATE ION' SO4 3 water HOH # ================================================ FILE: vendor/openfold/tests/test_data/mmcifs/5kc1.cif ================================================ data_5KC1 # _entry.id 5KC1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5KC1 WWPDB D_1000204652 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5KC1 _pdbx_database_status.recvd_initial_deposition_date 2016-06-04 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Ohashi, Y.' 1 'Soler, N.' 2 'Garcia-Ortegon, M.' 3 'Zhang, L.' 4 'Perisic, O.' 5 'Masson, G.R.' 6 'Johnson, C.M.' 7 'Williams, R.J.' 8 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Autophagy _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1554-8635 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 12 _citation.language ? _citation.page_first 2129 _citation.page_last 2144 _citation.title 'Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1080/15548627.2016.1226736 _citation.pdbx_database_id_PubMed 27630019 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ohashi, Y.' 1 primary 'Soler, N.' 2 primary 'Garcia Ortegon, M.' 3 primary 'Zhang, L.' 4 primary 'Kirsten, M.L.' 5 primary 'Perisic, O.' 6 primary 'Masson, G.R.' 7 primary 'Burke, J.E.' 8 primary 'Jakobi, A.J.' 9 primary 'Apostolakis, A.A.' 10 primary 'Johnson, C.M.' 11 primary 'Ohashi, M.' 12 primary 'Ktistakis, N.T.' 13 primary 'Sachse, C.' 14 primary 'Williams, R.L.' 15 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5KC1 _cell.details ? _cell.formula_units_Z ? _cell.length_a 81.383 _cell.length_a_esd ? _cell.length_b 249.385 _cell.length_b_esd ? _cell.length_c 50.197 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 48 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5KC1 _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Autophagy-related protein 38' 26008.424 12 ? ? ? ? 2 non-polymer syn 'SODIUM ION' 22.990 14 ? ? ? ? 3 non-polymer syn 'NITRATE ION' 62.005 18 ? ? ? ? 4 non-polymer syn 1,2-ETHANEDIOL 62.068 9 ? ? ? ? 5 non-polymer syn 'CHLORIDE ION' 35.453 6 ? ? ? ? 6 non-polymer syn 'AMMONIUM ION' 18.038 2 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 8 non-polymer syn 'IODIDE ION' 126.904 1 ? ? ? ? 9 water nat water 18.015 43 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;MSTLAEVYTIIEDAEQECRKGDFTNAKAKYQEAIEVLGPQNENLSQNKLSSDVTQAIDLLKQDITAKIQELELLIEKQSS EENNIGMVNNNMLIGSVILNNKSPINGISNARNWDNPAYQDTLSPINDPLLMSILNRLQFNLNNDIQLKTEGGKNSKNSE MKINLRLEQFKKELVLYEQKKFKEYGMKIDEITKENKKLANEIGRLRERWDSLVESAKQRRDKQKN ; _entity_poly.pdbx_seq_one_letter_code_can ;MSTLAEVYTIIEDAEQECRKGDFTNAKAKYQEAIEVLGPQNENLSQNKLSSDVTQAIDLLKQDITAKIQELELLIEKQSS EENNIGMVNNNMLIGSVILNNKSPINGISNARNWDNPAYQDTLSPINDPLLMSILNRLQFNLNNDIQLKTEGGKNSKNSE MKINLRLEQFKKELVLYEQKKFKEYGMKIDEITKENKKLANEIGRLRERWDSLVESAKQRRDKQKN ; _entity_poly.pdbx_strand_id C,D,A,B,G,H,K,L,E,F,I,J _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 SER n 1 3 THR n 1 4 LEU n 1 5 ALA n 1 6 GLU n 1 7 VAL n 1 8 TYR n 1 9 THR n 1 10 ILE n 1 11 ILE n 1 12 GLU n 1 13 ASP n 1 14 ALA n 1 15 GLU n 1 16 GLN n 1 17 GLU n 1 18 CYS n 1 19 ARG n 1 20 LYS n 1 21 GLY n 1 22 ASP n 1 23 PHE n 1 24 THR n 1 25 ASN n 1 26 ALA n 1 27 LYS n 1 28 ALA n 1 29 LYS n 1 30 TYR n 1 31 GLN n 1 32 GLU n 1 33 ALA n 1 34 ILE n 1 35 GLU n 1 36 VAL n 1 37 LEU n 1 38 GLY n 1 39 PRO n 1 40 GLN n 1 41 ASN n 1 42 GLU n 1 43 ASN n 1 44 LEU n 1 45 SER n 1 46 GLN n 1 47 ASN n 1 48 LYS n 1 49 LEU n 1 50 SER n 1 51 SER n 1 52 ASP n 1 53 VAL n 1 54 THR n 1 55 GLN n 1 56 ALA n 1 57 ILE n 1 58 ASP n 1 59 LEU n 1 60 LEU n 1 61 LYS n 1 62 GLN n 1 63 ASP n 1 64 ILE n 1 65 THR n 1 66 ALA n 1 67 LYS n 1 68 ILE n 1 69 GLN n 1 70 GLU n 1 71 LEU n 1 72 GLU n 1 73 LEU n 1 74 LEU n 1 75 ILE n 1 76 GLU n 1 77 LYS n 1 78 GLN n 1 79 SER n 1 80 SER n 1 81 GLU n 1 82 GLU n 1 83 ASN n 1 84 ASN n 1 85 ILE n 1 86 GLY n 1 87 MET n 1 88 VAL n 1 89 ASN n 1 90 ASN n 1 91 ASN n 1 92 MET n 1 93 LEU n 1 94 ILE n 1 95 GLY n 1 96 SER n 1 97 VAL n 1 98 ILE n 1 99 LEU n 1 100 ASN n 1 101 ASN n 1 102 LYS n 1 103 SER n 1 104 PRO n 1 105 ILE n 1 106 ASN n 1 107 GLY n 1 108 ILE n 1 109 SER n 1 110 ASN n 1 111 ALA n 1 112 ARG n 1 113 ASN n 1 114 TRP n 1 115 ASP n 1 116 ASN n 1 117 PRO n 1 118 ALA n 1 119 TYR n 1 120 GLN n 1 121 ASP n 1 122 THR n 1 123 LEU n 1 124 SER n 1 125 PRO n 1 126 ILE n 1 127 ASN n 1 128 ASP n 1 129 PRO n 1 130 LEU n 1 131 LEU n 1 132 MET n 1 133 SER n 1 134 ILE n 1 135 LEU n 1 136 ASN n 1 137 ARG n 1 138 LEU n 1 139 GLN n 1 140 PHE n 1 141 ASN n 1 142 LEU n 1 143 ASN n 1 144 ASN n 1 145 ASP n 1 146 ILE n 1 147 GLN n 1 148 LEU n 1 149 LYS n 1 150 THR n 1 151 GLU n 1 152 GLY n 1 153 GLY n 1 154 LYS n 1 155 ASN n 1 156 SER n 1 157 LYS n 1 158 ASN n 1 159 SER n 1 160 GLU n 1 161 MET n 1 162 LYS n 1 163 ILE n 1 164 ASN n 1 165 LEU n 1 166 ARG n 1 167 LEU n 1 168 GLU n 1 169 GLN n 1 170 PHE n 1 171 LYS n 1 172 LYS n 1 173 GLU n 1 174 LEU n 1 175 VAL n 1 176 LEU n 1 177 TYR n 1 178 GLU n 1 179 GLN n 1 180 LYS n 1 181 LYS n 1 182 PHE n 1 183 LYS n 1 184 GLU n 1 185 TYR n 1 186 GLY n 1 187 MET n 1 188 LYS n 1 189 ILE n 1 190 ASP n 1 191 GLU n 1 192 ILE n 1 193 THR n 1 194 LYS n 1 195 GLU n 1 196 ASN n 1 197 LYS n 1 198 LYS n 1 199 LEU n 1 200 ALA n 1 201 ASN n 1 202 GLU n 1 203 ILE n 1 204 GLY n 1 205 ARG n 1 206 LEU n 1 207 ARG n 1 208 GLU n 1 209 ARG n 1 210 TRP n 1 211 ASP n 1 212 SER n 1 213 LEU n 1 214 VAL n 1 215 GLU n 1 216 SER n 1 217 ALA n 1 218 LYS n 1 219 GLN n 1 220 ARG n 1 221 ARG n 1 222 ASP n 1 223 LYS n 1 224 GLN n 1 225 LYS n 1 226 ASN n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 226 _entity_src_gen.gene_src_common_name ;Baker's yeast ; _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'ATG38, YLR211C, L8167.20' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Saccharomyces cerevisiae' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4932 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code ATG38_YEAST _struct_ref.pdbx_db_accession Q05789 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;MSTLAEVYTIIEDAEQECRKGDFTNAKAKYQEAIEVLGPQNENLSQNKLSSDVTQAIDLLKQDITAKIQELELLIEKQSS EENNIGMVNNNMLIGSVILNNKSPINGISNARNWDNPAYQDTLSPINDPLLMSILNRLQFNLNNDIQLKTEGGKNSKNSE MKINLRLEQFKKELVLYEQKKFKEYGMKIDEITKENKKLANEIGRLRERWDSLVESAKQRRDKQKN ; _struct_ref.pdbx_align_begin 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5KC1 C 1 ? 226 ? Q05789 1 ? 226 ? 1 226 2 1 5KC1 D 1 ? 226 ? Q05789 1 ? 226 ? 1 226 3 1 5KC1 A 1 ? 226 ? Q05789 1 ? 226 ? 1 226 4 1 5KC1 B 1 ? 226 ? Q05789 1 ? 226 ? 1 226 5 1 5KC1 G 1 ? 226 ? Q05789 1 ? 226 ? 1 226 6 1 5KC1 H 1 ? 226 ? Q05789 1 ? 226 ? 1 226 7 1 5KC1 K 1 ? 226 ? Q05789 1 ? 226 ? 1 226 8 1 5KC1 L 1 ? 226 ? Q05789 1 ? 226 ? 1 226 9 1 5KC1 E 1 ? 226 ? Q05789 1 ? 226 ? 1 226 10 1 5KC1 F 1 ? 226 ? Q05789 1 ? 226 ? 1 226 11 1 5KC1 I 1 ? 226 ? Q05789 1 ? 226 ? 1 226 12 1 5KC1 J 1 ? 226 ? Q05789 1 ? 226 ? 1 226 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NH4 non-polymer . 'AMMONIUM ION' ? 'H4 N 1' 18.038 NO3 non-polymer . 'NITRATE ION' ? 'N O3 -1' 62.005 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5KC1 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.5 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 65 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 290 _exptl_crystal_grow.temp_details 290.15 _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details ;1.97 M ammonium nitrate, 0.15 M (D/L) malate pH 5.0 and 0.136 M Mg sulfate The full-length Atg38 protein was subjected to limited proteolysis. Atg38 (300 microliters at 16 mg/mL in gel-filtration buffer containing 20 mM Tris-HCl pH 8.8, 150 mM NaCl, 1 mM TCEP) was mixed with subtilisin (3 microliters at 1 mg/mL, using subtilisn from the ProteAce kit, Hampton Research), incubated for 10 h at 4 degrees C and set up for crystallization without further purification ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details 'channel-cut crystal, the Si(311) monochromator' _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-09-29 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator 'channel-cut silicon monochromator' _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.976260 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE ID29' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.976260 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ID29 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate 36 _reflns.entry_id 5KC1 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.2 _reflns.d_resolution_low 58.1 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 52821 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F -1 _reflns.observed_criterion_sigma_I -1 _reflns.percent_possible_obs 99.8 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.6 _reflns.pdbx_Rmerge_I_obs 0.062 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.062 _reflns.pdbx_netI_over_av_sigmaI 6.0 _reflns.pdbx_netI_over_sigmaI 16.9 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.999 _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.2 _reflns_shell.d_res_low 2.27 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.3 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.6 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.891 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.3 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5KC1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.200 _refine.ls_d_res_low 58.0 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 52821 _refine.ls_number_reflns_R_free 2529 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.57 _refine.ls_percent_reflns_R_free 4.79 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2064 _refine.ls_R_factor_R_free 0.2406 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2046 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details 0.24 _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 25.94 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.23 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4372 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 136 _refine_hist.number_atoms_solvent 43 _refine_hist.number_atoms_total 4551 _refine_hist.d_res_high 2.200 _refine_hist.d_res_low 58.0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.005 ? 4509 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.769 ? 5971 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 11.423 ? 1826 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.028 ? 649 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.003 ? 769 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.2000 2.2423 . . 120 2712 99.00 . . . 0.3562 . 0.3110 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2423 2.2881 . . 139 2764 99.00 . . . 0.2859 . 0.2761 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2881 2.3378 . . 132 2737 100.00 . . . 0.3356 . 0.2600 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3378 2.3922 . . 125 2812 99.00 . . . 0.2967 . 0.2414 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3922 2.4521 . . 142 2717 100.00 . . . 0.2680 . 0.2227 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4521 2.5183 . . 145 2792 100.00 . . . 0.2646 . 0.1946 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5183 2.5925 . . 141 2729 100.00 . . . 0.2457 . 0.1965 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5925 2.6761 . . 142 2762 100.00 . . . 0.2464 . 0.2004 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6761 2.7718 . . 142 2757 99.00 . . . 0.1949 . 0.1983 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7718 2.8828 . . 139 2756 99.00 . . . 0.2135 . 0.1941 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8828 3.0139 . . 144 2792 100.00 . . . 0.2132 . 0.1847 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0139 3.1728 . . 144 2806 100.00 . . . 0.2332 . 0.1954 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1728 3.3716 . . 141 2784 100.00 . . . 0.2452 . 0.1876 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3716 3.6319 . . 141 2800 99.00 . . . 0.1908 . 0.1752 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6319 3.9973 . . 147 2816 100.00 . . . 0.2210 . 0.1817 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.9973 4.5755 . . 145 2866 100.00 . . . 0.1920 . 0.1805 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.5755 5.7639 . . 146 2863 100.00 . . . 0.2420 . 0.2094 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.7639 58.1740 . . 154 3027 99.00 . . . 0.3084 . 0.2434 . . . . . . . . . . # _struct.entry_id 5KC1 _struct.title 'Structure of the C-terminal dimerization domain of Atg38' _struct.pdbx_descriptor 'Autophagy-related protein 38' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5KC1 _struct_keywords.text 'Atg38, coiled-coil, dimerization, NRBF2, autophagy, endocytosis' _struct_keywords.pdbx_keywords ENDOCYTOSIS # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 1 ? F N N 1 ? G N N 1 ? H N N 1 ? I N N 1 ? J N N 1 ? K N N 1 ? L N N 1 ? M N N 2 ? N N N 3 ? O N N 4 ? P N N 4 ? Q N N 2 ? R N N 2 ? S N N 3 ? T N N 3 ? U N N 5 ? V N N 5 ? W N N 3 ? X N N 3 ? Y N N 4 ? Z N N 4 ? AA N N 2 ? BA N N 3 ? CA N N 3 ? DA N N 3 ? EA N N 3 ? FA N N 3 ? GA N N 3 ? HA N N 2 ? IA N N 2 ? JA N N 2 ? KA N N 3 ? LA N N 3 ? MA N N 3 ? NA N N 6 ? OA N N 4 ? PA N N 7 ? QA N N 4 ? RA N N 2 ? SA N N 5 ? TA N N 5 ? UA N N 8 ? VA N N 2 ? WA N N 2 ? XA N N 2 ? YA N N 2 ? ZA N N 3 ? AB N N 5 ? BB N N 5 ? CB N N 2 ? DB N N 2 ? EB N N 3 ? FB N N 3 ? GB N N 4 ? HB N N 3 ? IB N N 6 ? JB N N 4 ? KB N N 4 ? LB N N 9 ? MB N N 9 ? NB N N 9 ? OB N N 9 ? PB N N 9 ? QB N N 9 ? RB N N 9 ? SB N N 9 ? TB N N 9 ? UB N N 9 ? VB N N 9 ? WB N N 9 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 SER A 124 ? ASN A 127 ? SER C 124 ASN C 127 5 ? 4 HELX_P HELX_P2 AA2 ASP A 128 ? GLU A 151 ? ASP C 128 GLU C 151 1 ? 24 HELX_P HELX_P3 AA3 ILE B 163 ? ARG B 209 ? ILE D 163 ARG D 209 1 ? 47 HELX_P HELX_P4 AA4 ASP C 128 ? GLN C 147 ? ASP A 128 GLN A 147 1 ? 20 HELX_P HELX_P5 AA5 SER D 156 ? PHE D 182 ? SER B 156 PHE B 182 1 ? 27 HELX_P HELX_P6 AA6 PHE D 182 ? ASP D 211 ? PHE B 182 ASP B 211 1 ? 30 HELX_P HELX_P7 AA7 SER E 124 ? ASN E 127 ? SER G 124 ASN G 127 5 ? 4 HELX_P HELX_P8 AA8 ASP E 128 ? GLY E 152 ? ASP G 128 GLY G 152 1 ? 25 HELX_P HELX_P9 AA9 ILE F 163 ? LEU F 213 ? ILE H 163 LEU H 213 1 ? 51 HELX_P HELX_P10 AB1 ASP G 128 ? ASN G 144 ? ASP K 128 ASN K 144 1 ? 17 HELX_P HELX_P11 AB2 ASN H 158 ? PHE H 182 ? ASN L 158 PHE L 182 1 ? 25 HELX_P HELX_P12 AB3 PHE H 182 ? TRP H 210 ? PHE L 182 TRP L 210 1 ? 29 HELX_P HELX_P13 AB4 ASP H 211 ? LEU H 213 ? ASP L 211 LEU L 213 5 ? 3 HELX_P HELX_P14 AB5 ASP I 128 ? GLU I 151 ? ASP E 128 GLU E 151 1 ? 24 HELX_P HELX_P15 AB6 ASN J 158 ? PHE J 182 ? ASN F 158 PHE F 182 1 ? 25 HELX_P HELX_P16 AB7 PHE J 182 ? ARG J 207 ? PHE F 182 ARG F 207 1 ? 26 HELX_P HELX_P17 AB8 ASP J 211 ? SER J 216 ? ASP F 211 SER F 216 1 ? 6 HELX_P HELX_P18 AB9 SER K 124 ? ASN K 127 ? SER I 124 ASN I 127 5 ? 4 HELX_P HELX_P19 AC1 ASP K 128 ? LEU K 148 ? ASP I 128 LEU I 148 1 ? 21 HELX_P HELX_P20 AC2 ASN L 158 ? ARG L 207 ? ASN J 158 ARG J 207 1 ? 50 HELX_P HELX_P21 AC3 GLU L 208 ? LEU L 213 ? GLU J 208 LEU J 213 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order metalc1 metalc ? ? D GLU 168 OE1 ? ? ? 1_555 AA NA . NA ? ? B GLU 168 B NA 301 1_555 ? ? ? ? ? ? ? 2.799 ? metalc2 metalc ? ? G ASN 136 OD1 ? ? ? 1_555 IA NA . NA ? ? K ASN 136 K NA 302 1_555 ? ? ? ? ? ? ? 3.063 ? metalc3 metalc ? ? G ASP 145 OD1 ? ? ? 1_555 HA NA . NA ? ? K ASP 145 K NA 301 1_555 ? ? ? ? ? ? ? 2.944 ? metalc4 metalc ? ? G ASP 145 OD2 ? ? ? 1_555 HA NA . NA ? ? K ASP 145 K NA 301 1_555 ? ? ? ? ? ? ? 2.690 ? metalc5 metalc ? ? J GLN 169 O ? ? ? 1_555 VA NA . NA ? ? F GLN 169 F NA 301 1_555 ? ? ? ? ? ? ? 2.945 ? metalc6 metalc ? ? J LYS 172 O ? ? ? 1_555 YA NA . NA ? ? F LYS 172 F NA 304 1_555 ? ? ? ? ? ? ? 3.070 ? metalc7 metalc ? ? HA NA . NA ? ? ? 1_555 PA SO4 . O2 ? ? K NA 301 K SO4 309 1_555 ? ? ? ? ? ? ? 3.058 ? metalc8 metalc ? ? IA NA . NA ? ? ? 1_555 LA NO3 . O3 ? ? K NA 302 K NO3 305 1_555 ? ? ? ? ? ? ? 3.026 ? metalc9 metalc ? ? HA NA . NA ? ? ? 1_555 NB HOH . O ? ? K NA 301 A HOH 406 1_556 ? ? ? ? ? ? ? 2.847 ? metalc10 metalc ? ? HA NA . NA ? ? ? 1_555 TB HOH . O ? ? K NA 301 E HOH 402 1_556 ? ? ? ? ? ? ? 2.981 ? # _struct_conn_type.id metalc _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software C NA 301 ? 2 'binding site for residue NA C 301' AC2 Software C NO3 302 ? 6 'binding site for residue NO3 C 302' AC3 Software C EDO 303 ? 2 'binding site for residue EDO C 303' AC4 Software C EDO 304 ? 7 'binding site for residue EDO C 304' AC5 Software D NA 301 ? 2 'binding site for residue NA D 301' AC6 Software D NA 302 ? 2 'binding site for residue NA D 302' AC7 Software D NO3 303 ? 7 'binding site for residue NO3 D 303' AC8 Software D NO3 304 ? 7 'binding site for residue NO3 D 304' AC9 Software D CL 305 ? 3 'binding site for residue CL D 305' AD1 Software D CL 306 ? 2 'binding site for residue CL D 306' AD2 Software F NA 301 ? 4 'binding site for residue NA F 301' AD3 Software A NO3 301 ? 5 'binding site for residue NO3 A 301' AD4 Software A NO3 302 ? 6 'binding site for residue NO3 A 302' AD5 Software A EDO 303 ? 4 'binding site for residue EDO A 303' AD6 Software A EDO 304 ? 3 'binding site for residue EDO A 304' AD7 Software B NA 301 ? 3 'binding site for residue NA B 301' AD8 Software B NO3 302 ? 6 'binding site for residue NO3 B 302' AD9 Software G NO3 301 ? 6 'binding site for residue NO3 G 301' AE1 Software G NO3 302 ? 7 'binding site for residue NO3 G 302' AE2 Software G NO3 303 ? 6 'binding site for residue NO3 G 303' AE3 Software G NO3 304 ? 4 'binding site for residue NO3 G 304' AE4 Software H NO3 301 ? 7 'binding site for residue NO3 H 301' AE5 Software K NA 301 ? 4 'binding site for residue NA K 301' AE6 Software K NA 302 ? 2 'binding site for residue NA K 302' AE7 Software K NA 303 ? 2 'binding site for residue NA K 303' AE8 Software K NO3 304 ? 6 'binding site for residue NO3 K 304' AE9 Software K NO3 305 ? 3 'binding site for residue NO3 K 305' AF1 Software K NO3 306 ? 6 'binding site for residue NO3 K 306' AF2 Software K NH4 307 ? 4 'binding site for residue NH4 K 307' AF3 Software K EDO 308 ? 3 'binding site for residue EDO K 308' AF4 Software K SO4 309 ? 10 'binding site for residue SO4 K 309' AF5 Software L EDO 301 ? 1 'binding site for residue EDO L 301' AF6 Software E NA 301 ? 4 'binding site for residue NA E 301' AF7 Software E CL 302 ? 1 'binding site for residue CL E 302' AF8 Software E IOD 304 ? 3 'binding site for residue IOD E 304' AF9 Software F NA 304 ? 3 'binding site for residue NA F 304' AG1 Software F NO3 305 ? 4 'binding site for residue NO3 F 305' AG2 Software F CL 307 ? 1 'binding site for residue CL F 307' AG3 Software I NA 301 ? 3 'binding site for residue NA I 301' AG4 Software I NO3 303 ? 4 'binding site for residue NO3 I 303' AG5 Software I NO3 304 ? 2 'binding site for residue NO3 I 304' AG6 Software I EDO 305 ? 7 'binding site for residue EDO I 305' AG7 Software J NO3 301 ? 1 'binding site for residue NO3 J 301' AG8 Software J NH4 302 ? 2 'binding site for residue NH4 J 302' AG9 Software J EDO 303 ? 2 'binding site for residue EDO J 303' AH1 Software J EDO 304 ? 4 'binding site for residue EDO J 304' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 LEU A 138 ? LEU C 138 . ? 1_555 ? 2 AC1 2 ASN A 141 ? ASN C 141 . ? 1_555 ? 3 AC2 6 LEU A 130 ? LEU C 130 . ? 1_555 ? 4 AC2 6 SER A 133 ? SER C 133 . ? 1_555 ? 5 AC2 6 ILE A 134 ? ILE C 134 . ? 1_555 ? 6 AC2 6 ARG A 137 ? ARG C 137 . ? 1_555 ? 7 AC2 6 ASN E 144 ? ASN G 144 . ? 4_454 ? 8 AC2 6 NO3 DA . ? NO3 G 302 . ? 4_454 ? 9 AC3 2 MET A 132 ? MET C 132 . ? 1_555 ? 10 AC3 2 ASN K 143 ? ASN I 143 . ? 4_454 ? 11 AC4 7 LYS D 171 ? LYS B 171 . ? 1_555 ? 12 AC4 7 NA AA . ? NA B 301 . ? 1_555 ? 13 AC4 7 MET A 132 ? MET C 132 . ? 1_555 ? 14 AC4 7 ASN A 136 ? ASN C 136 . ? 1_555 ? 15 AC4 7 ASN K 136 ? ASN I 136 . ? 4_454 ? 16 AC4 7 PHE K 140 ? PHE I 140 . ? 4_454 ? 17 AC4 7 NA CB . ? NA I 301 . ? 4_454 ? 18 AC5 2 GLU B 168 ? GLU D 168 . ? 1_555 ? 19 AC5 2 LEU F 165 ? LEU H 165 . ? 4_454 ? 20 AC6 2 LYS B 162 ? LYS D 162 . ? 1_555 ? 21 AC6 2 LEU J 165 ? LEU F 165 . ? 1_555 ? 22 AC7 7 MET B 161 ? MET D 161 . ? 1_555 ? 23 AC7 7 LYS B 162 ? LYS D 162 . ? 1_555 ? 24 AC7 7 ILE B 163 ? ILE D 163 . ? 1_555 ? 25 AC7 7 ASN B 164 ? ASN D 164 . ? 1_555 ? 26 AC7 7 LEU B 165 ? LEU D 165 . ? 1_555 ? 27 AC7 7 GLN F 169 ? GLN H 169 . ? 4_454 ? 28 AC7 7 LYS F 172 ? LYS H 172 . ? 4_454 ? 29 AC8 7 ARG B 166 ? ARG D 166 . ? 1_555 ? 30 AC8 7 ARG E 137 ? ARG G 137 . ? 4_454 ? 31 AC8 7 LEU E 138 ? LEU G 138 . ? 4_454 ? 32 AC8 7 ASN E 141 ? ASN G 141 . ? 4_454 ? 33 AC8 7 ARG F 166 ? ARG H 166 . ? 4_454 ? 34 AC8 7 PHE F 170 ? PHE H 170 . ? 4_454 ? 35 AC8 7 GLU F 173 ? GLU H 173 . ? 4_454 ? 36 AC9 3 GLN B 169 ? GLN D 169 . ? 1_555 ? 37 AC9 3 LYS E 149 ? LYS G 149 . ? 4_454 ? 38 AC9 3 NO3 GA . ? NO3 H 301 . ? 4_454 ? 39 AD1 2 LYS B 172 ? LYS D 172 . ? 1_555 ? 40 AD1 2 LEU B 176 ? LEU D 176 . ? 1_555 ? 41 AD2 4 ASN C 136 ? ASN A 136 . ? 1_555 ? 42 AD2 4 NO3 X . ? NO3 A 302 . ? 1_555 ? 43 AD2 4 GLN J 169 ? GLN F 169 . ? 1_555 ? 44 AD2 4 GLU J 173 ? GLU F 173 . ? 1_555 ? 45 AD3 5 GLN C 139 ? GLN A 139 . ? 1_555 ? 46 AD3 5 PHE C 140 ? PHE A 140 . ? 1_555 ? 47 AD3 5 ASN C 143 ? ASN A 143 . ? 1_555 ? 48 AD3 5 HOH NB . ? HOH A 409 . ? 1_555 ? 49 AD3 5 GLN J 169 ? GLN F 169 . ? 1_555 ? 50 AD4 6 MET C 132 ? MET A 132 . ? 1_555 ? 51 AD4 6 ASN C 136 ? ASN A 136 . ? 1_555 ? 52 AD4 6 GLN C 139 ? GLN A 139 . ? 1_555 ? 53 AD4 6 NA VA . ? NA F 301 . ? 1_555 ? 54 AD4 6 LYS B 171 ? LYS D 171 . ? 1_555 ? 55 AD4 6 GLN J 169 ? GLN F 169 . ? 1_555 ? 56 AD5 4 ASN C 127 ? ASN A 127 . ? 1_555 ? 57 AD5 4 LEU J 176 ? LEU F 176 . ? 1_555 ? 58 AD5 4 GLN J 179 ? GLN F 179 . ? 1_555 ? 59 AD5 4 ILE E 126 ? ILE G 126 . ? 1_555 ? 60 AD6 3 GLN C 147 ? GLN A 147 . ? 1_555 ? 61 AD6 3 LYS B 162 ? LYS D 162 . ? 1_555 ? 62 AD6 3 LYS J 162 ? LYS F 162 . ? 1_555 ? 63 AD7 3 GLU D 168 ? GLU B 168 . ? 1_555 ? 64 AD7 3 LYS D 171 ? LYS B 171 . ? 1_555 ? 65 AD7 3 EDO P . ? EDO C 304 . ? 1_555 ? 66 AD8 6 ARG C 137 ? ARG A 137 . ? 1_555 ? 67 AD8 6 ARG D 166 ? ARG B 166 . ? 1_555 ? 68 AD8 6 PHE D 170 ? PHE B 170 . ? 1_555 ? 69 AD8 6 GLU D 173 ? GLU B 173 . ? 1_555 ? 70 AD8 6 HOH OB . ? HOH B 401 . ? 1_555 ? 71 AD8 6 ASN G 136 ? ASN K 136 . ? 1_554 ? 72 AD9 6 ASN A 144 ? ASN C 144 . ? 4_554 ? 73 AD9 6 LEU E 130 ? LEU G 130 . ? 1_555 ? 74 AD9 6 SER E 133 ? SER G 133 . ? 1_555 ? 75 AD9 6 ILE E 134 ? ILE G 134 . ? 1_555 ? 76 AD9 6 ARG E 137 ? ARG G 137 . ? 1_555 ? 77 AD9 6 LYS L 180 ? LYS J 180 . ? 1_555 ? 78 AE1 7 SER A 133 ? SER C 133 . ? 4_554 ? 79 AE1 7 ASN A 136 ? ASN C 136 . ? 4_554 ? 80 AE1 7 ARG A 137 ? ARG C 137 . ? 4_554 ? 81 AE1 7 NO3 N . ? NO3 C 302 . ? 4_554 ? 82 AE1 7 PHE E 140 ? PHE G 140 . ? 1_555 ? 83 AE1 7 HOH PB . ? HOH G 401 . ? 1_555 ? 84 AE1 7 ARG K 137 ? ARG I 137 . ? 1_555 ? 85 AE2 6 PHE E 140 ? PHE G 140 . ? 1_555 ? 86 AE2 6 ASN E 144 ? ASN G 144 . ? 1_555 ? 87 AE2 6 GLN E 147 ? GLN G 147 . ? 1_555 ? 88 AE2 6 HOH PB . ? HOH G 402 . ? 1_555 ? 89 AE2 6 ASN K 141 ? ASN I 141 . ? 1_555 ? 90 AE2 6 GLN L 169 ? GLN J 169 . ? 1_555 ? 91 AE3 4 LYS B 180 ? LYS D 180 . ? 4_554 ? 92 AE3 4 GLU E 151 ? GLU G 151 . ? 1_555 ? 93 AE3 4 ASN K 144 ? ASN I 144 . ? 1_555 ? 94 AE3 4 LEU K 148 ? LEU I 148 . ? 1_555 ? 95 AE4 7 GLN B 169 ? GLN D 169 . ? 4_554 ? 96 AE4 7 CL U . ? CL D 305 . ? 4_554 ? 97 AE4 7 LYS E 149 ? LYS G 149 . ? 1_555 ? 98 AE4 7 LYS F 162 ? LYS H 162 . ? 1_555 ? 99 AE4 7 ILE F 163 ? ILE H 163 . ? 1_555 ? 100 AE4 7 LEU F 165 ? LEU H 165 . ? 1_555 ? 101 AE4 7 ARG F 166 ? ARG H 166 . ? 1_555 ? 102 AE5 4 HOH NB . ? HOH A 406 . ? 1_556 ? 103 AE5 4 HOH TB . ? HOH E 402 . ? 1_556 ? 104 AE5 4 ASP G 145 ? ASP K 145 . ? 1_555 ? 105 AE5 4 SO4 PA . ? SO4 K 309 . ? 1_555 ? 106 AE6 2 ASN G 136 ? ASN K 136 . ? 1_555 ? 107 AE6 2 NO3 LA . ? NO3 K 305 . ? 1_555 ? 108 AE7 2 LYS D 180 ? LYS B 180 . ? 1_556 ? 109 AE7 2 ASP G 128 ? ASP K 128 . ? 1_555 ? 110 AE8 6 LEU D 165 ? LEU B 165 . ? 1_556 ? 111 AE8 6 GLN D 169 ? GLN B 169 . ? 1_556 ? 112 AE8 6 GLN G 139 ? GLN K 139 . ? 1_555 ? 113 AE8 6 PHE G 140 ? PHE K 140 . ? 1_555 ? 114 AE8 6 ASN G 143 ? ASN K 143 . ? 1_555 ? 115 AE8 6 HOH RB . ? HOH K 404 . ? 1_555 ? 116 AE9 3 LEU D 165 ? LEU B 165 . ? 1_556 ? 117 AE9 3 LYS D 172 ? LYS B 172 . ? 1_556 ? 118 AE9 3 NA IA . ? NA K 302 . ? 1_555 ? 119 AF1 6 ASN I 136 ? ASN E 136 . ? 1_556 ? 120 AF1 6 ARG G 137 ? ARG K 137 . ? 1_555 ? 121 AF1 6 ARG H 166 ? ARG L 166 . ? 1_555 ? 122 AF1 6 PHE H 170 ? PHE L 170 . ? 1_555 ? 123 AF1 6 GLU H 173 ? GLU L 173 . ? 1_555 ? 124 AF1 6 HOH SB . ? HOH L 402 . ? 1_555 ? 125 AF2 4 SER C 133 ? SER A 133 . ? 1_556 ? 126 AF2 4 SER I 133 ? SER E 133 . ? 1_556 ? 127 AF2 4 SER G 133 ? SER K 133 . ? 1_555 ? 128 AF2 4 HOH RB . ? HOH K 403 . ? 1_555 ? 129 AF3 3 ASN G 127 ? ASN K 127 . ? 1_555 ? 130 AF3 3 ASP G 128 ? ASP K 128 . ? 1_555 ? 131 AF3 3 LYS H 181 ? LYS L 181 . ? 1_555 ? 132 AF4 10 ARG C 137 ? ARG A 137 . ? 1_556 ? 133 AF4 10 PHE C 140 ? PHE A 140 . ? 1_556 ? 134 AF4 10 ASN C 141 ? ASN A 141 . ? 1_556 ? 135 AF4 10 ARG I 137 ? ARG E 137 . ? 1_556 ? 136 AF4 10 PHE I 140 ? PHE E 140 . ? 1_556 ? 137 AF4 10 ASN I 141 ? ASN E 141 . ? 1_556 ? 138 AF4 10 ARG G 137 ? ARG K 137 . ? 1_555 ? 139 AF4 10 PHE G 140 ? PHE K 140 . ? 1_555 ? 140 AF4 10 ASN G 141 ? ASN K 141 . ? 1_555 ? 141 AF4 10 NA HA . ? NA K 301 . ? 1_555 ? 142 AF5 1 LYS H 172 ? LYS L 172 . ? 1_555 ? 143 AF6 4 ASP I 128 ? ASP E 128 . ? 1_555 ? 144 AF6 4 PRO I 129 ? PRO E 129 . ? 1_555 ? 145 AF6 4 CL SA . ? CL E 302 . ? 1_555 ? 146 AF6 4 LYS H 180 ? LYS L 180 . ? 1_554 ? 147 AF7 1 NA RA . ? NA E 301 . ? 1_555 ? 148 AF8 3 GLN I 139 ? GLN E 139 . ? 1_555 ? 149 AF8 3 PHE I 140 ? PHE E 140 . ? 1_555 ? 150 AF8 3 ASN I 143 ? ASN E 143 . ? 1_555 ? 151 AF9 3 LYS J 172 ? LYS F 172 . ? 1_555 ? 152 AF9 3 LEU J 176 ? LEU F 176 . ? 1_555 ? 153 AF9 3 CL BB . ? CL F 307 . ? 1_555 ? 154 AG1 4 ASN C 136 ? ASN A 136 . ? 1_555 ? 155 AG1 4 ARG I 137 ? ARG E 137 . ? 1_555 ? 156 AG1 4 ARG J 166 ? ARG F 166 . ? 1_555 ? 157 AG1 4 GLU J 173 ? GLU F 173 . ? 1_555 ? 158 AG2 1 NA YA . ? NA F 304 . ? 1_555 ? 159 AG3 3 EDO P . ? EDO C 304 . ? 4_554 ? 160 AG3 3 MET K 132 ? MET I 132 . ? 1_555 ? 161 AG3 3 ASN K 136 ? ASN I 136 . ? 1_555 ? 162 AG4 4 PHE A 140 ? PHE C 140 . ? 4_554 ? 163 AG4 4 ARG E 137 ? ARG G 137 . ? 1_555 ? 164 AG4 4 PHE E 140 ? PHE G 140 . ? 1_555 ? 165 AG4 4 ARG K 137 ? ARG I 137 . ? 1_555 ? 166 AG5 2 MET K 132 ? MET I 132 . ? 1_555 ? 167 AG5 2 HOH VB . ? HOH I 401 . ? 1_555 ? 168 AG6 7 ILE K 134 ? ILE I 134 . ? 1_555 ? 169 AG6 7 ARG K 137 ? ARG I 137 . ? 1_555 ? 170 AG6 7 LEU K 138 ? LEU I 138 . ? 1_555 ? 171 AG6 7 ASN K 141 ? ASN I 141 . ? 1_555 ? 172 AG6 7 ARG L 166 ? ARG J 166 . ? 1_555 ? 173 AG6 7 PHE L 170 ? PHE J 170 . ? 1_555 ? 174 AG6 7 GLU L 173 ? GLU J 173 . ? 1_555 ? 175 AG7 1 SER L 159 ? SER J 159 . ? 1_555 ? 176 AG8 2 GLU A 151 ? GLU C 151 . ? 4_554 ? 177 AG8 2 MET L 187 ? MET J 187 . ? 1_555 ? 178 AG9 2 GLN L 169 ? GLN J 169 . ? 1_555 ? 179 AG9 2 LYS L 172 ? LYS J 172 . ? 1_555 ? 180 AH1 4 PHE A 140 ? PHE C 140 . ? 4_554 ? 181 AH1 4 ASN A 144 ? ASN C 144 . ? 4_554 ? 182 AH1 4 GLU L 173 ? GLU J 173 . ? 1_555 ? 183 AH1 4 LYS L 180 ? LYS J 180 . ? 1_555 ? # _atom_sites.entry_id 5KC1 _atom_sites.fract_transf_matrix[1][1] 0.012288 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.004010 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.019922 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL H I N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 119 ? -29.588 44.066 -53.431 1.00 142.47 ? 119 TYR C N 1 ATOM 2 C CA . TYR A 1 119 ? -30.878 43.843 -54.075 1.00 148.10 ? 119 TYR C CA 1 ATOM 3 C C . TYR A 1 119 ? -31.250 42.364 -54.057 1.00 153.02 ? 119 TYR C C 1 ATOM 4 O O . TYR A 1 119 ? -32.348 41.983 -54.462 1.00 150.99 ? 119 TYR C O 1 ATOM 5 C CB . TYR A 1 119 ? -30.853 44.356 -55.517 1.00 154.16 ? 119 TYR C CB 1 ATOM 6 C CG . TYR A 1 119 ? -30.132 43.437 -56.479 1.00 156.14 ? 119 TYR C CG 1 ATOM 7 C CD1 . TYR A 1 119 ? -28.750 43.482 -56.611 1.00 155.38 ? 119 TYR C CD1 1 ATOM 8 C CD2 . TYR A 1 119 ? -30.834 42.524 -57.255 1.00 158.16 ? 119 TYR C CD2 1 ATOM 9 C CE1 . TYR A 1 119 ? -28.088 42.644 -57.489 1.00 153.76 ? 119 TYR C CE1 1 ATOM 10 C CE2 . TYR A 1 119 ? -30.182 41.681 -58.135 1.00 161.15 ? 119 TYR C CE2 1 ATOM 11 C CZ . TYR A 1 119 ? -28.809 41.745 -58.249 1.00 156.75 ? 119 TYR C CZ 1 ATOM 12 O OH . TYR A 1 119 ? -28.156 40.907 -59.124 1.00 138.01 ? 119 TYR C OH 1 ATOM 13 N N . GLN A 1 120 ? -30.326 41.536 -53.580 1.00 158.94 ? 120 GLN C N 1 ATOM 14 C CA . GLN A 1 120 ? -30.490 40.087 -53.616 1.00 151.94 ? 120 GLN C CA 1 ATOM 15 C C . GLN A 1 120 ? -31.534 39.576 -52.623 1.00 138.84 ? 120 GLN C C 1 ATOM 16 O O . GLN A 1 120 ? -31.870 38.391 -52.628 1.00 138.65 ? 120 GLN C O 1 ATOM 17 C CB . GLN A 1 120 ? -29.146 39.402 -53.345 1.00 149.69 ? 120 GLN C CB 1 ATOM 18 C CG . GLN A 1 120 ? -28.021 39.841 -54.271 1.00 148.10 ? 120 GLN C CG 1 ATOM 19 C CD . GLN A 1 120 ? -26.674 39.276 -53.859 1.00 156.28 ? 120 GLN C CD 1 ATOM 20 O OE1 . GLN A 1 120 ? -26.581 38.487 -52.917 1.00 152.91 ? 120 GLN C OE1 1 ATOM 21 N NE2 . GLN A 1 120 ? -25.621 39.679 -54.562 1.00 151.49 ? 120 GLN C NE2 1 ATOM 22 N N . ASP A 1 121 ? -32.047 40.461 -51.774 1.00 126.71 ? 121 ASP C N 1 ATOM 23 C CA . ASP A 1 121 ? -33.008 40.048 -50.756 1.00 125.40 ? 121 ASP C CA 1 ATOM 24 C C . ASP A 1 121 ? -34.022 41.144 -50.426 1.00 115.37 ? 121 ASP C C 1 ATOM 25 O O . ASP A 1 121 ? -33.665 42.310 -50.251 1.00 107.38 ? 121 ASP C O 1 ATOM 26 C CB . ASP A 1 121 ? -32.271 39.614 -49.486 1.00 123.56 ? 121 ASP C CB 1 ATOM 27 C CG . ASP A 1 121 ? -33.155 38.830 -48.536 1.00 111.17 ? 121 ASP C CG 1 ATOM 28 O OD1 . ASP A 1 121 ? -34.131 38.202 -49.002 1.00 116.01 ? 121 ASP C OD1 1 ATOM 29 O OD2 . ASP A 1 121 ? -32.867 38.837 -47.323 1.00 109.74 ? 121 ASP C OD2 1 ATOM 30 N N . THR A 1 122 ? -35.290 40.755 -50.338 1.00 105.59 ? 122 THR C N 1 ATOM 31 C CA . THR A 1 122 ? -36.374 41.696 -50.085 1.00 100.35 ? 122 THR C CA 1 ATOM 32 C C . THR A 1 122 ? -36.478 42.075 -48.608 1.00 102.29 ? 122 THR C C 1 ATOM 33 O O . THR A 1 122 ? -37.272 42.938 -48.234 1.00 95.54 ? 122 THR C O 1 ATOM 34 C CB . THR A 1 122 ? -37.725 41.123 -50.543 1.00 111.18 ? 122 THR C CB 1 ATOM 35 O OG1 . THR A 1 122 ? -38.021 39.941 -49.790 1.00 116.65 ? 122 THR C OG1 1 ATOM 36 C CG2 . THR A 1 122 ? -37.683 40.780 -52.028 1.00 106.42 ? 122 THR C CG2 1 ATOM 37 N N . LEU A 1 123 ? -35.678 41.421 -47.773 1.00 90.13 ? 123 LEU C N 1 ATOM 38 C CA . LEU A 1 123 ? -35.654 41.731 -46.349 1.00 83.82 ? 123 LEU C CA 1 ATOM 39 C C . LEU A 1 123 ? -34.652 42.834 -46.039 1.00 80.20 ? 123 LEU C C 1 ATOM 40 O O . LEU A 1 123 ? -34.782 43.528 -45.033 1.00 75.48 ? 123 LEU C O 1 ATOM 41 C CB . LEU A 1 123 ? -35.322 40.482 -45.530 1.00 82.88 ? 123 LEU C CB 1 ATOM 42 C CG . LEU A 1 123 ? -36.445 39.450 -45.425 1.00 89.20 ? 123 LEU C CG 1 ATOM 43 C CD1 . LEU A 1 123 ? -36.068 38.337 -44.459 1.00 81.14 ? 123 LEU C CD1 1 ATOM 44 C CD2 . LEU A 1 123 ? -37.736 40.124 -44.996 1.00 80.34 ? 123 LEU C CD2 1 ATOM 45 N N . SER A 1 124 ? -33.662 42.986 -46.918 1.00 74.62 ? 124 SER C N 1 ATOM 46 C CA . SER A 1 124 ? -32.564 43.930 -46.724 1.00 67.28 ? 124 SER C CA 1 ATOM 47 C C . SER A 1 124 ? -33.024 45.334 -46.348 1.00 61.64 ? 124 SER C C 1 ATOM 48 O O . SER A 1 124 ? -33.961 45.868 -46.939 1.00 65.95 ? 124 SER C O 1 ATOM 49 C CB . SER A 1 124 ? -31.706 43.997 -47.986 1.00 63.58 ? 124 SER C CB 1 ATOM 50 O OG . SER A 1 124 ? -31.178 42.719 -48.292 1.00 98.59 ? 124 SER C OG 1 ATOM 51 N N . PRO A 1 125 ? -32.359 45.928 -45.347 1.00 57.01 ? 125 PRO C N 1 ATOM 52 C CA . PRO A 1 125 ? -32.629 47.271 -44.823 1.00 55.54 ? 125 PRO C CA 1 ATOM 53 C C . PRO A 1 125 ? -32.728 48.364 -45.893 1.00 59.56 ? 125 PRO C C 1 ATOM 54 O O . PRO A 1 125 ? -33.597 49.235 -45.773 1.00 55.72 ? 125 PRO C O 1 ATOM 55 C CB . PRO A 1 125 ? -31.438 47.514 -43.897 1.00 65.36 ? 125 PRO C CB 1 ATOM 56 C CG . PRO A 1 125 ? -31.131 46.153 -43.364 1.00 55.74 ? 125 PRO C CG 1 ATOM 57 C CD . PRO A 1 125 ? -31.365 45.213 -44.528 1.00 51.90 ? 125 PRO C CD 1 ATOM 58 N N . ILE A 1 126 ? -31.871 48.323 -46.913 1.00 61.30 ? 126 ILE C N 1 ATOM 59 C CA . ILE A 1 126 ? -31.933 49.302 -48.004 1.00 62.73 ? 126 ILE C CA 1 ATOM 60 C C . ILE A 1 126 ? -33.294 49.333 -48.704 1.00 65.84 ? 126 ILE C C 1 ATOM 61 O O . ILE A 1 126 ? -33.710 50.363 -49.241 1.00 64.83 ? 126 ILE C O 1 ATOM 62 C CB . ILE A 1 126 ? -30.867 49.034 -49.072 1.00 75.75 ? 126 ILE C CB 1 ATOM 63 C CG1 . ILE A 1 126 ? -29.474 49.086 -48.465 1.00 70.99 ? 126 ILE C CG1 1 ATOM 64 C CG2 . ILE A 1 126 ? -30.967 50.060 -50.191 1.00 80.91 ? 126 ILE C CG2 1 ATOM 65 C CD1 . ILE A 1 126 ? -28.386 49.051 -49.496 1.00 60.93 ? 126 ILE C CD1 1 ATOM 66 N N . ASN A 1 127 ? -33.983 48.200 -48.705 1.00 63.37 ? 127 ASN C N 1 ATOM 67 C CA . ASN A 1 127 ? -35.278 48.113 -49.360 1.00 70.53 ? 127 ASN C CA 1 ATOM 68 C C . ASN A 1 127 ? -36.411 48.101 -48.352 1.00 80.44 ? 127 ASN C C 1 ATOM 69 O O . ASN A 1 127 ? -37.555 47.818 -48.697 1.00 77.00 ? 127 ASN C O 1 ATOM 70 C CB . ASN A 1 127 ? -35.342 46.866 -50.233 1.00 82.74 ? 127 ASN C CB 1 ATOM 71 C CG . ASN A 1 127 ? -34.153 46.751 -51.155 1.00 85.61 ? 127 ASN C CG 1 ATOM 72 O OD1 . ASN A 1 127 ? -33.410 45.770 -51.110 1.00 89.16 ? 127 ASN C OD1 1 ATOM 73 N ND2 . ASN A 1 127 ? -33.954 47.766 -51.989 1.00 79.79 ? 127 ASN C ND2 1 ATOM 74 N N . ASP A 1 128 ? -36.081 48.414 -47.104 1.00 66.52 ? 128 ASP C N 1 ATOM 75 C CA . ASP A 1 128 ? -37.050 48.350 -46.022 1.00 55.74 ? 128 ASP C CA 1 ATOM 76 C C . ASP A 1 128 ? -37.703 49.702 -45.773 1.00 52.08 ? 128 ASP C C 1 ATOM 77 O O . ASP A 1 128 ? -37.056 50.635 -45.306 1.00 54.79 ? 128 ASP C O 1 ATOM 78 C CB . ASP A 1 128 ? -36.380 47.848 -44.748 1.00 47.63 ? 128 ASP C CB 1 ATOM 79 C CG . ASP A 1 128 ? -37.374 47.356 -43.731 1.00 59.25 ? 128 ASP C CG 1 ATOM 80 O OD1 . ASP A 1 128 ? -38.577 47.669 -43.881 1.00 56.13 ? 128 ASP C OD1 1 ATOM 81 O OD2 . ASP A 1 128 ? -36.952 46.662 -42.778 1.00 62.27 ? 128 ASP C OD2 1 ATOM 82 N N . PRO A 1 129 ? -38.996 49.809 -46.088 1.00 60.18 ? 129 PRO C N 1 ATOM 83 C CA . PRO A 1 129 ? -39.735 51.055 -45.862 1.00 50.00 ? 129 PRO C CA 1 ATOM 84 C C . PRO A 1 129 ? -39.947 51.378 -44.381 1.00 50.37 ? 129 PRO C C 1 ATOM 85 O O . PRO A 1 129 ? -40.203 52.535 -44.053 1.00 47.79 ? 129 PRO C O 1 ATOM 86 C CB . PRO A 1 129 ? -41.075 50.801 -46.562 1.00 53.40 ? 129 PRO C CB 1 ATOM 87 C CG . PRO A 1 129 ? -41.193 49.316 -46.647 1.00 69.09 ? 129 PRO C CG 1 ATOM 88 C CD . PRO A 1 129 ? -39.795 48.810 -46.816 1.00 60.93 ? 129 PRO C CD 1 ATOM 89 N N . LEU A 1 130 ? -39.847 50.393 -43.496 1.00 49.17 ? 130 LEU C N 1 ATOM 90 C CA . LEU A 1 130 ? -39.942 50.701 -42.073 1.00 48.24 ? 130 LEU C CA 1 ATOM 91 C C . LEU A 1 130 ? -38.718 51.527 -41.647 1.00 50.62 ? 130 LEU C C 1 ATOM 92 O O . LEU A 1 130 ? -38.851 52.553 -40.989 1.00 60.82 ? 130 LEU C O 1 ATOM 93 C CB . LEU A 1 130 ? -40.068 49.424 -41.241 1.00 51.46 ? 130 LEU C CB 1 ATOM 94 C CG . LEU A 1 130 ? -40.012 49.612 -39.720 1.00 45.39 ? 130 LEU C CG 1 ATOM 95 C CD1 . LEU A 1 130 ? -41.016 50.664 -39.249 1.00 44.01 ? 130 LEU C CD1 1 ATOM 96 C CD2 . LEU A 1 130 ? -40.228 48.297 -38.994 1.00 52.82 ? 130 LEU C CD2 1 ATOM 97 N N . LEU A 1 131 ? -37.529 51.094 -42.054 1.00 42.53 ? 131 LEU C N 1 ATOM 98 C CA . LEU A 1 131 ? -36.311 51.860 -41.794 1.00 44.34 ? 131 LEU C CA 1 ATOM 99 C C . LEU A 1 131 ? -36.367 53.293 -42.324 1.00 48.29 ? 131 LEU C C 1 ATOM 100 O O . LEU A 1 131 ? -35.979 54.228 -41.626 1.00 50.41 ? 131 LEU C O 1 ATOM 101 C CB . LEU A 1 131 ? -35.099 51.158 -42.400 1.00 41.36 ? 131 LEU C CB 1 ATOM 102 C CG . LEU A 1 131 ? -33.772 51.826 -42.026 1.00 52.25 ? 131 LEU C CG 1 ATOM 103 C CD1 . LEU A 1 131 ? -33.722 52.121 -40.512 1.00 43.41 ? 131 LEU C CD1 1 ATOM 104 C CD2 . LEU A 1 131 ? -32.607 50.953 -42.436 1.00 46.89 ? 131 LEU C CD2 1 ATOM 105 N N . MET A 1 132 ? -36.835 53.464 -43.559 1.00 40.67 ? 132 MET C N 1 ATOM 106 C CA . MET A 1 132 ? -36.950 54.792 -44.154 1.00 43.50 ? 132 MET C CA 1 ATOM 107 C C . MET A 1 132 ? -37.937 55.667 -43.392 1.00 46.90 ? 132 MET C C 1 ATOM 108 O O . MET A 1 132 ? -37.706 56.862 -43.204 1.00 57.36 ? 132 MET C O 1 ATOM 109 C CB . MET A 1 132 ? -37.384 54.701 -45.626 1.00 43.40 ? 132 MET C CB 1 ATOM 110 C CG . MET A 1 132 ? -36.483 53.850 -46.505 1.00 61.23 ? 132 MET C CG 1 ATOM 111 S SD . MET A 1 132 ? -34.744 54.302 -46.358 1.00 78.35 ? 132 MET C SD 1 ATOM 112 C CE . MET A 1 132 ? -34.816 56.050 -46.780 1.00 66.86 ? 132 MET C CE 1 ATOM 113 N N . SER A 1 133 ? -39.048 55.069 -42.970 1.00 37.08 ? 133 SER C N 1 ATOM 114 C CA . SER A 1 133 ? -40.028 55.777 -42.166 1.00 43.05 ? 133 SER C CA 1 ATOM 115 C C . SER A 1 133 ? -39.408 56.301 -40.870 1.00 37.96 ? 133 SER C C 1 ATOM 116 O O . SER A 1 133 ? -39.598 57.460 -40.482 1.00 37.99 ? 133 SER C O 1 ATOM 117 C CB . SER A 1 133 ? -41.219 54.857 -41.855 1.00 42.99 ? 133 SER C CB 1 ATOM 118 O OG . SER A 1 133 ? -42.207 55.556 -41.125 1.00 79.16 ? 133 SER C OG 1 ATOM 119 N N . ILE A 1 134 ? -38.653 55.449 -40.193 1.00 36.24 ? 134 ILE C N 1 ATOM 120 C CA . ILE A 1 134 ? -38.068 55.837 -38.909 1.00 46.44 ? 134 ILE C CA 1 ATOM 121 C C . ILE A 1 134 ? -37.076 57.003 -39.076 1.00 41.81 ? 134 ILE C C 1 ATOM 122 O O . ILE A 1 134 ? -37.100 57.969 -38.295 1.00 38.59 ? 134 ILE C O 1 ATOM 123 C CB . ILE A 1 134 ? -37.396 54.628 -38.241 1.00 58.33 ? 134 ILE C CB 1 ATOM 124 C CG1 . ILE A 1 134 ? -38.479 53.635 -37.795 1.00 44.20 ? 134 ILE C CG1 1 ATOM 125 C CG2 . ILE A 1 134 ? -36.557 55.065 -37.052 1.00 51.02 ? 134 ILE C CG2 1 ATOM 126 C CD1 . ILE A 1 134 ? -37.977 52.217 -37.559 1.00 49.70 ? 134 ILE C CD1 1 ATOM 127 N N . LEU A 1 135 ? -36.242 56.939 -40.111 1.00 46.94 ? 135 LEU C N 1 ATOM 128 C CA . LEU A 1 135 ? -35.286 58.014 -40.391 1.00 39.99 ? 135 LEU C CA 1 ATOM 129 C C . LEU A 1 135 ? -35.991 59.299 -40.798 1.00 35.86 ? 135 LEU C C 1 ATOM 130 O O . LEU A 1 135 ? -35.668 60.377 -40.287 1.00 42.45 ? 135 LEU C O 1 ATOM 131 C CB . LEU A 1 135 ? -34.303 57.576 -41.486 1.00 40.96 ? 135 LEU C CB 1 ATOM 132 C CG . LEU A 1 135 ? -33.394 56.426 -41.047 1.00 43.55 ? 135 LEU C CG 1 ATOM 133 C CD1 . LEU A 1 135 ? -32.719 55.783 -42.236 1.00 43.05 ? 135 LEU C CD1 1 ATOM 134 C CD2 . LEU A 1 135 ? -32.351 56.898 -39.998 1.00 40.83 ? 135 LEU C CD2 1 ATOM 135 N N . ASN A 1 136 ? -36.955 59.170 -41.714 1.00 37.85 ? 136 ASN C N 1 ATOM 136 C CA . ASN A 1 136 ? -37.815 60.276 -42.143 1.00 38.98 ? 136 ASN C CA 1 ATOM 137 C C . ASN A 1 136 ? -38.512 60.964 -40.969 1.00 33.49 ? 136 ASN C C 1 ATOM 138 O O . ASN A 1 136 ? -38.624 62.191 -40.921 1.00 44.02 ? 136 ASN C O 1 ATOM 139 C CB . ASN A 1 136 ? -38.863 59.771 -43.148 1.00 39.22 ? 136 ASN C CB 1 ATOM 140 C CG . ASN A 1 136 ? -39.501 60.909 -43.967 1.00 66.51 ? 136 ASN C CG 1 ATOM 141 O OD1 . ASN A 1 136 ? -38.828 61.562 -44.767 1.00 65.18 ? 136 ASN C OD1 1 ATOM 142 N ND2 . ASN A 1 136 ? -40.803 61.128 -43.782 1.00 46.26 ? 136 ASN C ND2 1 ATOM 143 N N . ARG A 1 137 ? -38.982 60.173 -40.012 1.00 37.42 ? 137 ARG C N 1 ATOM 144 C CA . ARG A 1 137 ? -39.647 60.728 -38.832 1.00 42.20 ? 137 ARG C CA 1 ATOM 145 C C . ARG A 1 137 ? -38.663 61.492 -37.932 1.00 37.47 ? 137 ARG C C 1 ATOM 146 O O . ARG A 1 137 ? -38.954 62.591 -37.419 1.00 35.35 ? 137 ARG C O 1 ATOM 147 C CB . ARG A 1 137 ? -40.335 59.601 -38.066 1.00 36.74 ? 137 ARG C CB 1 ATOM 148 C CG . ARG A 1 137 ? -41.217 60.071 -36.938 1.00 44.33 ? 137 ARG C CG 1 ATOM 149 C CD . ARG A 1 137 ? -42.366 59.110 -36.744 1.00 42.95 ? 137 ARG C CD 1 ATOM 150 N NE . ARG A 1 137 ? -41.937 57.787 -36.293 1.00 41.02 ? 137 ARG C NE 1 ATOM 151 C CZ . ARG A 1 137 ? -41.755 57.466 -35.014 1.00 51.73 ? 137 ARG C CZ 1 ATOM 152 N NH1 . ARG A 1 137 ? -41.933 58.381 -34.069 1.00 43.47 ? 137 ARG C NH1 1 ATOM 153 N NH2 . ARG A 1 137 ? -41.391 56.236 -34.678 1.00 46.30 ? 137 ARG C NH2 1 ATOM 154 N N . LEU A 1 138 ? -37.482 60.924 -37.742 1.00 36.13 ? 138 LEU C N 1 ATOM 155 C CA . LEU A 1 138 ? -36.443 61.636 -36.970 1.00 27.51 ? 138 LEU C CA 1 ATOM 156 C C . LEU A 1 138 ? -36.182 62.993 -37.583 1.00 36.57 ? 138 LEU C C 1 ATOM 157 O O . LEU A 1 138 ? -36.202 64.015 -36.899 1.00 36.57 ? 138 LEU C O 1 ATOM 158 C CB . LEU A 1 138 ? -35.152 60.831 -36.931 1.00 42.90 ? 138 LEU C CB 1 ATOM 159 C CG . LEU A 1 138 ? -33.994 61.548 -36.242 1.00 49.73 ? 138 LEU C CG 1 ATOM 160 C CD1 . LEU A 1 138 ? -34.317 61.727 -34.762 1.00 38.85 ? 138 LEU C CD1 1 ATOM 161 C CD2 . LEU A 1 138 ? -32.695 60.783 -36.451 1.00 41.59 ? 138 LEU C CD2 1 ATOM 162 N N . GLN A 1 139 ? -36.009 62.995 -38.905 1.00 43.47 ? 139 GLN C N 1 ATOM 163 C CA . GLN A 1 139 ? -35.745 64.230 -39.629 1.00 29.50 ? 139 GLN C CA 1 ATOM 164 C C . GLN A 1 139 ? -36.883 65.233 -39.553 1.00 32.06 ? 139 GLN C C 1 ATOM 165 O O . GLN A 1 139 ? -36.668 66.440 -39.388 1.00 39.42 ? 139 GLN C O 1 ATOM 166 C CB . GLN A 1 139 ? -35.443 63.913 -41.093 1.00 36.92 ? 139 GLN C CB 1 ATOM 167 C CG . GLN A 1 139 ? -35.239 65.145 -41.940 1.00 36.01 ? 139 GLN C CG 1 ATOM 168 C CD . GLN A 1 139 ? -34.896 64.786 -43.374 1.00 58.34 ? 139 GLN C CD 1 ATOM 169 O OE1 . GLN A 1 139 ? -35.286 63.728 -43.864 1.00 45.98 ? 139 GLN C OE1 1 ATOM 170 N NE2 . GLN A 1 139 ? -34.159 65.661 -44.049 1.00 42.98 ? 139 GLN C NE2 1 ATOM 171 N N . PHE A 1 140 ? -38.099 64.732 -39.690 1.00 35.78 ? 140 PHE C N 1 ATOM 172 C CA . PHE A 1 140 ? -39.283 65.571 -39.627 1.00 35.60 ? 140 PHE C CA 1 ATOM 173 C C . PHE A 1 140 ? -39.388 66.218 -38.252 1.00 34.81 ? 140 PHE C C 1 ATOM 174 O O . PHE A 1 140 ? -39.615 67.435 -38.135 1.00 37.77 ? 140 PHE C O 1 ATOM 175 C CB . PHE A 1 140 ? -40.527 64.725 -39.952 1.00 36.03 ? 140 PHE C CB 1 ATOM 176 C CG . PHE A 1 140 ? -41.825 65.466 -39.840 1.00 44.27 ? 140 PHE C CG 1 ATOM 177 C CD1 . PHE A 1 140 ? -42.213 66.367 -40.823 1.00 35.97 ? 140 PHE C CD1 1 ATOM 178 C CD2 . PHE A 1 140 ? -42.672 65.252 -38.762 1.00 44.08 ? 140 PHE C CD2 1 ATOM 179 C CE1 . PHE A 1 140 ? -43.424 67.045 -40.730 1.00 42.71 ? 140 PHE C CE1 1 ATOM 180 C CE2 . PHE A 1 140 ? -43.889 65.927 -38.670 1.00 51.81 ? 140 PHE C CE2 1 ATOM 181 C CZ . PHE A 1 140 ? -44.262 66.825 -39.660 1.00 44.64 ? 140 PHE C CZ 1 ATOM 182 N N . ASN A 1 141 ? -39.203 65.408 -37.210 1.00 33.74 ? 141 ASN C N 1 ATOM 183 C CA . ASN A 1 141 ? -39.184 65.913 -35.825 1.00 35.67 ? 141 ASN C CA 1 ATOM 184 C C . ASN A 1 141 ? -38.082 66.941 -35.541 1.00 48.45 ? 141 ASN C C 1 ATOM 185 O O . ASN A 1 141 ? -38.344 68.015 -34.963 1.00 36.80 ? 141 ASN C O 1 ATOM 186 C CB . ASN A 1 141 ? -39.054 64.733 -34.843 1.00 41.32 ? 141 ASN C CB 1 ATOM 187 C CG . ASN A 1 141 ? -40.365 63.964 -34.686 1.00 43.66 ? 141 ASN C CG 1 ATOM 188 O OD1 . ASN A 1 141 ? -41.435 64.562 -34.675 1.00 42.86 ? 141 ASN C OD1 1 ATOM 189 N ND2 . ASN A 1 141 ? -40.283 62.649 -34.574 1.00 34.93 ? 141 ASN C ND2 1 ATOM 190 N N . LEU A 1 142 ? -36.857 66.610 -35.950 1.00 39.22 ? 142 LEU C N 1 ATOM 191 C CA . LEU A 1 142 ? -35.714 67.515 -35.788 1.00 30.05 ? 142 LEU C CA 1 ATOM 192 C C . LEU A 1 142 ? -35.945 68.836 -36.487 1.00 41.17 ? 142 LEU C C 1 ATOM 193 O O . LEU A 1 142 ? -35.704 69.888 -35.901 1.00 50.84 ? 142 LEU C O 1 ATOM 194 C CB . LEU A 1 142 ? -34.428 66.870 -36.309 1.00 36.37 ? 142 LEU C CB 1 ATOM 195 C CG . LEU A 1 142 ? -33.883 65.753 -35.424 1.00 47.28 ? 142 LEU C CG 1 ATOM 196 C CD1 . LEU A 1 142 ? -32.528 65.258 -35.924 1.00 48.68 ? 142 LEU C CD1 1 ATOM 197 C CD2 . LEU A 1 142 ? -33.791 66.249 -33.976 1.00 38.86 ? 142 LEU C CD2 1 ATOM 198 N N . ASN A 1 143 ? -36.431 68.792 -37.729 1.00 39.33 ? 143 ASN C N 1 ATOM 199 C CA . ASN A 1 143 ? -36.779 70.014 -38.446 1.00 39.66 ? 143 ASN C CA 1 ATOM 200 C C . ASN A 1 143 ? -37.869 70.817 -37.726 1.00 38.09 ? 143 ASN C C 1 ATOM 201 O O . ASN A 1 143 ? -37.724 72.028 -37.533 1.00 46.67 ? 143 ASN C O 1 ATOM 202 C CB . ASN A 1 143 ? -37.218 69.684 -39.903 1.00 34.39 ? 143 ASN C CB 1 ATOM 203 C CG . ASN A 1 143 ? -36.032 69.528 -40.843 1.00 47.75 ? 143 ASN C CG 1 ATOM 204 O OD1 . ASN A 1 143 ? -35.171 70.393 -40.900 1.00 54.67 ? 143 ASN C OD1 1 ATOM 205 N ND2 . ASN A 1 143 ? -35.970 68.413 -41.564 1.00 40.34 ? 143 ASN C ND2 1 ATOM 206 N N . ASN A 1 144 ? -38.964 70.170 -37.336 1.00 37.51 ? 144 ASN C N 1 ATOM 207 C CA . ASN A 1 144 ? -39.974 70.890 -36.556 1.00 44.13 ? 144 ASN C CA 1 ATOM 208 C C . ASN A 1 144 ? -39.405 71.413 -35.241 1.00 43.84 ? 144 ASN C C 1 ATOM 209 O O . ASN A 1 144 ? -39.665 72.560 -34.865 1.00 42.91 ? 144 ASN C O 1 ATOM 210 C CB . ASN A 1 144 ? -41.193 70.007 -36.263 1.00 36.70 ? 144 ASN C CB 1 ATOM 211 C CG . ASN A 1 144 ? -42.208 70.016 -37.400 1.00 50.17 ? 144 ASN C CG 1 ATOM 212 O OD1 . ASN A 1 144 ? -42.941 70.987 -37.584 1.00 41.89 ? 144 ASN C OD1 1 ATOM 213 N ND2 . ASN A 1 144 ? -42.265 68.924 -38.152 1.00 34.88 ? 144 ASN C ND2 1 ATOM 214 N N . ASP A 1 145 ? -38.641 70.578 -34.538 1.00 38.85 ? 145 ASP C N 1 ATOM 215 C CA . ASP A 1 145 ? -38.103 70.982 -33.216 1.00 47.13 ? 145 ASP C CA 1 ATOM 216 C C . ASP A 1 145 ? -37.220 72.221 -33.310 1.00 57.56 ? 145 ASP C C 1 ATOM 217 O O . ASP A 1 145 ? -37.356 73.153 -32.523 1.00 50.93 ? 145 ASP C O 1 ATOM 218 C CB . ASP A 1 145 ? -37.287 69.856 -32.582 1.00 38.88 ? 145 ASP C CB 1 ATOM 219 C CG . ASP A 1 145 ? -38.149 68.759 -31.993 1.00 65.68 ? 145 ASP C CG 1 ATOM 220 O OD1 . ASP A 1 145 ? -39.356 68.996 -31.773 1.00 55.98 ? 145 ASP C OD1 1 ATOM 221 O OD2 . ASP A 1 145 ? -37.605 67.659 -31.733 1.00 69.37 ? 145 ASP C OD2 1 ATOM 222 N N . ILE A 1 146 ? -36.315 72.220 -34.286 1.00 64.54 ? 146 ILE C N 1 ATOM 223 C CA . ILE A 1 146 ? -35.318 73.282 -34.423 1.00 56.56 ? 146 ILE C CA 1 ATOM 224 C C . ILE A 1 146 ? -35.951 74.602 -34.857 1.00 52.53 ? 146 ILE C C 1 ATOM 225 O O . ILE A 1 146 ? -35.451 75.671 -34.520 1.00 70.30 ? 146 ILE C O 1 ATOM 226 C CB . ILE A 1 146 ? -34.202 72.867 -35.420 1.00 67.53 ? 146 ILE C CB 1 ATOM 227 C CG1 . ILE A 1 146 ? -33.461 71.642 -34.880 1.00 48.80 ? 146 ILE C CG1 1 ATOM 228 C CG2 . ILE A 1 146 ? -33.228 74.015 -35.671 1.00 62.94 ? 146 ILE C CG2 1 ATOM 229 C CD1 . ILE A 1 146 ? -32.335 71.140 -35.757 1.00 64.25 ? 146 ILE C CD1 1 ATOM 230 N N . GLN A 1 147 ? -37.051 74.536 -35.599 1.00 47.80 ? 147 GLN C N 1 ATOM 231 C CA . GLN A 1 147 ? -37.793 75.748 -35.914 1.00 52.65 ? 147 GLN C CA 1 ATOM 232 C C . GLN A 1 147 ? -38.388 76.358 -34.640 1.00 76.53 ? 147 GLN C C 1 ATOM 233 O O . GLN A 1 147 ? -38.477 77.577 -34.513 1.00 80.59 ? 147 GLN C O 1 ATOM 234 C CB . GLN A 1 147 ? -38.898 75.466 -36.929 1.00 61.61 ? 147 GLN C CB 1 ATOM 235 C CG . GLN A 1 147 ? -38.393 75.104 -38.321 1.00 70.81 ? 147 GLN C CG 1 ATOM 236 C CD . GLN A 1 147 ? -39.520 74.942 -39.321 1.00 72.91 ? 147 GLN C CD 1 ATOM 237 O OE1 . GLN A 1 147 ? -40.660 75.322 -39.057 1.00 89.01 ? 147 GLN C OE1 1 ATOM 238 N NE2 . GLN A 1 147 ? -39.208 74.371 -40.475 1.00 76.56 ? 147 GLN C NE2 1 ATOM 239 N N . LEU A 1 148 ? -38.794 75.509 -33.700 1.00 58.55 ? 148 LEU C N 1 ATOM 240 C CA . LEU A 1 148 ? -39.347 75.994 -32.441 1.00 74.71 ? 148 LEU C CA 1 ATOM 241 C C . LEU A 1 148 ? -38.268 76.649 -31.579 1.00 72.08 ? 148 LEU C C 1 ATOM 242 O O . LEU A 1 148 ? -38.509 77.688 -30.969 1.00 63.41 ? 148 LEU C O 1 ATOM 243 C CB . LEU A 1 148 ? -40.022 74.860 -31.663 1.00 58.90 ? 148 LEU C CB 1 ATOM 244 C CG . LEU A 1 148 ? -41.503 74.626 -31.946 1.00 59.72 ? 148 LEU C CG 1 ATOM 245 C CD1 . LEU A 1 148 ? -41.992 73.435 -31.152 1.00 64.39 ? 148 LEU C CD1 1 ATOM 246 C CD2 . LEU A 1 148 ? -42.294 75.870 -31.585 1.00 59.66 ? 148 LEU C CD2 1 ATOM 247 N N . LYS A 1 149 ? -37.081 76.043 -31.547 1.00 61.65 ? 149 LYS C N 1 ATOM 248 C CA . LYS A 1 149 ? -35.972 76.557 -30.751 1.00 53.63 ? 149 LYS C CA 1 ATOM 249 C C . LYS A 1 149 ? -35.512 77.928 -31.222 1.00 67.99 ? 149 LYS C C 1 ATOM 250 O O . LYS A 1 149 ? -35.057 78.742 -30.420 1.00 91.90 ? 149 LYS C O 1 ATOM 251 C CB . LYS A 1 149 ? -34.794 75.588 -30.777 1.00 53.24 ? 149 LYS C CB 1 ATOM 252 C CG . LYS A 1 149 ? -35.057 74.276 -30.077 1.00 63.88 ? 149 LYS C CG 1 ATOM 253 C CD . LYS A 1 149 ? -33.953 73.288 -30.370 1.00 64.12 ? 149 LYS C CD 1 ATOM 254 C CE . LYS A 1 149 ? -34.175 71.977 -29.644 1.00 71.68 ? 149 LYS C CE 1 ATOM 255 N NZ . LYS A 1 149 ? -33.358 70.894 -30.257 1.00 85.82 ? 149 LYS C NZ 1 ATOM 256 N N . THR A 1 150 ? -35.628 78.184 -32.519 1.00 70.41 ? 150 THR C N 1 ATOM 257 C CA . THR A 1 150 ? -35.218 79.469 -33.070 1.00 87.27 ? 150 THR C CA 1 ATOM 258 C C . THR A 1 150 ? -36.298 80.508 -32.804 1.00 91.74 ? 150 THR C C 1 ATOM 259 O O . THR A 1 150 ? -36.001 81.662 -32.489 1.00 107.41 ? 150 THR C O 1 ATOM 260 C CB . THR A 1 150 ? -34.934 79.387 -34.586 1.00 88.22 ? 150 THR C CB 1 ATOM 261 O OG1 . THR A 1 150 ? -36.130 79.020 -35.282 1.00 92.90 ? 150 THR C OG1 1 ATOM 262 C CG2 . THR A 1 150 ? -33.851 78.358 -34.873 1.00 68.14 ? 150 THR C CG2 1 ATOM 263 N N . GLU A 1 151 ? -37.553 80.087 -32.926 1.00 91.90 ? 151 GLU C N 1 ATOM 264 C CA . GLU A 1 151 ? -38.689 80.954 -32.627 1.00 105.73 ? 151 GLU C CA 1 ATOM 265 C C . GLU A 1 151 ? -38.971 81.001 -31.125 1.00 89.94 ? 151 GLU C C 1 ATOM 266 O O . GLU A 1 151 ? -38.502 81.896 -30.421 1.00 85.11 ? 151 GLU C O 1 ATOM 267 C CB . GLU A 1 151 ? -39.935 80.482 -33.379 1.00 89.47 ? 151 GLU C CB 1 ATOM 268 C CG . GLU A 1 151 ? -39.812 80.565 -34.891 1.00 110.34 ? 151 GLU C CG 1 ATOM 269 C CD . GLU A 1 151 ? -41.016 79.988 -35.610 1.00 114.77 ? 151 GLU C CD 1 ATOM 270 O OE1 . GLU A 1 151 ? -41.008 79.977 -36.859 1.00 124.22 ? 151 GLU C OE1 1 ATOM 271 O OE2 . GLU A 1 151 ? -41.968 79.545 -34.930 1.00 103.20 ? 151 GLU C OE2 1 ATOM 272 N N . MET B 1 161 ? -30.837 75.145 -27.054 1.00 79.95 ? 161 MET D N 1 ATOM 273 C CA . MET B 1 161 ? -31.192 73.836 -26.517 1.00 90.37 ? 161 MET D CA 1 ATOM 274 C C . MET B 1 161 ? -30.531 72.705 -27.320 1.00 90.16 ? 161 MET D C 1 ATOM 275 O O . MET B 1 161 ? -29.788 72.951 -28.272 1.00 97.96 ? 161 MET D O 1 ATOM 276 C CB . MET B 1 161 ? -32.717 73.671 -26.494 1.00 90.97 ? 161 MET D CB 1 ATOM 277 C CG . MET B 1 161 ? -33.220 72.494 -25.667 1.00 97.51 ? 161 MET D CG 1 ATOM 278 S SD . MET B 1 161 ? -32.543 72.441 -23.994 1.00 119.24 ? 161 MET D SD 1 ATOM 279 C CE . MET B 1 161 ? -33.194 70.872 -23.420 1.00 97.95 ? 161 MET D CE 1 ATOM 280 N N . LYS B 1 162 ? -30.809 71.467 -26.926 1.00 72.17 ? 162 LYS D N 1 ATOM 281 C CA . LYS B 1 162 ? -30.137 70.301 -27.483 1.00 71.37 ? 162 LYS D CA 1 ATOM 282 C C . LYS B 1 162 ? -31.133 69.292 -28.061 1.00 69.90 ? 162 LYS D C 1 ATOM 283 O O . LYS B 1 162 ? -32.338 69.440 -27.889 1.00 61.83 ? 162 LYS D O 1 ATOM 284 C CB . LYS B 1 162 ? -29.275 69.643 -26.405 1.00 69.47 ? 162 LYS D CB 1 ATOM 285 C CG . LYS B 1 162 ? -28.264 70.592 -25.785 1.00 77.58 ? 162 LYS D CG 1 ATOM 286 C CD . LYS B 1 162 ? -27.433 69.912 -24.714 1.00 88.13 ? 162 LYS D CD 1 ATOM 287 C CE . LYS B 1 162 ? -26.235 70.769 -24.336 1.00 96.20 ? 162 LYS D CE 1 ATOM 288 N NZ . LYS B 1 162 ? -26.652 72.148 -23.959 1.00 96.44 ? 162 LYS D NZ 1 ATOM 289 N N . ILE B 1 163 ? -30.624 68.265 -28.736 1.00 47.80 ? 163 ILE D N 1 ATOM 290 C CA . ILE B 1 163 ? -31.480 67.290 -29.409 1.00 48.60 ? 163 ILE D CA 1 ATOM 291 C C . ILE B 1 163 ? -31.304 65.903 -28.830 1.00 50.99 ? 163 ILE D C 1 ATOM 292 O O . ILE B 1 163 ? -31.798 64.917 -29.394 1.00 54.69 ? 163 ILE D O 1 ATOM 293 C CB . ILE B 1 163 ? -31.183 67.216 -30.913 1.00 68.70 ? 163 ILE D CB 1 ATOM 294 C CG1 . ILE B 1 163 ? -29.706 66.866 -31.125 1.00 50.03 ? 163 ILE D CG1 1 ATOM 295 C CG2 . ILE B 1 163 ? -31.554 68.528 -31.597 1.00 46.57 ? 163 ILE D CG2 1 ATOM 296 C CD1 . ILE B 1 163 ? -29.367 66.497 -32.536 1.00 75.78 ? 163 ILE D CD1 1 ATOM 297 N N . ASN B 1 164 ? -30.587 65.835 -27.716 1.00 46.71 ? 164 ASN D N 1 ATOM 298 C CA . ASN B 1 164 ? -30.277 64.579 -27.054 1.00 57.01 ? 164 ASN D CA 1 ATOM 299 C C . ASN B 1 164 ? -31.489 63.688 -26.891 1.00 57.14 ? 164 ASN D C 1 ATOM 300 O O . ASN B 1 164 ? -31.415 62.481 -27.146 1.00 62.27 ? 164 ASN D O 1 ATOM 301 C CB . ASN B 1 164 ? -29.652 64.850 -25.682 1.00 44.84 ? 164 ASN D CB 1 ATOM 302 C CG . ASN B 1 164 ? -28.379 65.674 -25.777 1.00 60.70 ? 164 ASN D CG 1 ATOM 303 O OD1 . ASN B 1 164 ? -28.095 66.278 -26.812 1.00 62.94 ? 164 ASN D OD1 1 ATOM 304 N ND2 . ASN B 1 164 ? -27.610 65.707 -24.697 1.00 61.87 ? 164 ASN D ND2 1 ATOM 305 N N . LEU B 1 165 ? -32.607 64.287 -26.480 1.00 54.40 ? 165 LEU D N 1 ATOM 306 C CA . LEU B 1 165 ? -33.819 63.530 -26.188 1.00 58.35 ? 165 LEU D CA 1 ATOM 307 C C . LEU B 1 165 ? -34.394 62.884 -27.446 1.00 41.28 ? 165 LEU D C 1 ATOM 308 O O . LEU B 1 165 ? -34.791 61.716 -27.422 1.00 46.99 ? 165 LEU D O 1 ATOM 309 C CB . LEU B 1 165 ? -34.867 64.430 -25.528 1.00 61.03 ? 165 LEU D CB 1 ATOM 310 C CG . LEU B 1 165 ? -35.808 63.702 -24.572 1.00 75.78 ? 165 LEU D CG 1 ATOM 311 C CD1 . LEU B 1 165 ? -35.018 63.122 -23.403 1.00 56.04 ? 165 LEU D CD1 1 ATOM 312 C CD2 . LEU B 1 165 ? -36.896 64.640 -24.078 1.00 76.77 ? 165 LEU D CD2 1 ATOM 313 N N . ARG B 1 166 ? -34.436 63.636 -28.541 1.00 49.52 ? 166 ARG D N 1 ATOM 314 C CA . ARG B 1 166 ? -34.815 63.060 -29.834 1.00 47.77 ? 166 ARG D CA 1 ATOM 315 C C . ARG B 1 166 ? -33.945 61.854 -30.157 1.00 59.28 ? 166 ARG D C 1 ATOM 316 O O . ARG B 1 166 ? -34.455 60.794 -30.526 1.00 44.56 ? 166 ARG D O 1 ATOM 317 C CB . ARG B 1 166 ? -34.693 64.086 -30.962 1.00 54.90 ? 166 ARG D CB 1 ATOM 318 C CG . ARG B 1 166 ? -35.846 65.050 -31.086 1.00 75.12 ? 166 ARG D CG 1 ATOM 319 C CD . ARG B 1 166 ? -37.107 64.402 -31.652 1.00 54.72 ? 166 ARG D CD 1 ATOM 320 N NE . ARG B 1 166 ? -38.235 65.291 -31.394 1.00 62.98 ? 166 ARG D NE 1 ATOM 321 C CZ . ARG B 1 166 ? -39.461 64.892 -31.089 1.00 48.91 ? 166 ARG D CZ 1 ATOM 322 N NH1 . ARG B 1 166 ? -39.756 63.602 -31.013 1.00 49.17 ? 166 ARG D NH1 1 ATOM 323 N NH2 . ARG B 1 166 ? -40.396 65.796 -30.865 1.00 57.50 ? 166 ARG D NH2 1 ATOM 324 N N . LEU B 1 167 ? -32.630 62.008 -30.001 1.00 45.01 ? 167 LEU D N 1 ATOM 325 C CA . LEU B 1 167 ? -31.723 60.930 -30.379 1.00 42.19 ? 167 LEU D CA 1 ATOM 326 C C . LEU B 1 167 ? -31.890 59.724 -29.458 1.00 40.49 ? 167 LEU D C 1 ATOM 327 O O . LEU B 1 167 ? -31.875 58.582 -29.920 1.00 46.53 ? 167 LEU D O 1 ATOM 328 C CB . LEU B 1 167 ? -30.270 61.414 -30.384 1.00 47.53 ? 167 LEU D CB 1 ATOM 329 C CG . LEU B 1 167 ? -29.897 62.311 -31.570 1.00 45.43 ? 167 LEU D CG 1 ATOM 330 C CD1 . LEU B 1 167 ? -28.404 62.272 -31.832 1.00 38.10 ? 167 LEU D CD1 1 ATOM 331 C CD2 . LEU B 1 167 ? -30.662 61.911 -32.842 1.00 55.81 ? 167 LEU D CD2 1 ATOM 332 N N . GLU B 1 168 ? -32.072 59.966 -28.163 1.00 35.68 ? 168 GLU D N 1 ATOM 333 C CA . GLU B 1 168 ? -32.349 58.868 -27.243 1.00 45.19 ? 168 GLU D CA 1 ATOM 334 C C . GLU B 1 168 ? -33.631 58.135 -27.664 1.00 47.24 ? 168 GLU D C 1 ATOM 335 O O . GLU B 1 168 ? -33.709 56.905 -27.609 1.00 48.91 ? 168 GLU D O 1 ATOM 336 C CB . GLU B 1 168 ? -32.466 59.386 -25.799 1.00 41.06 ? 168 GLU D CB 1 ATOM 337 C CG . GLU B 1 168 ? -32.729 58.300 -24.764 1.00 60.27 ? 168 GLU D CG 1 ATOM 338 C CD . GLU B 1 168 ? -32.795 58.846 -23.338 1.00 88.92 ? 168 GLU D CD 1 ATOM 339 O OE1 . GLU B 1 168 ? -32.642 60.073 -23.160 1.00 95.33 ? 168 GLU D OE1 1 ATOM 340 O OE2 . GLU B 1 168 ? -32.998 58.050 -22.395 1.00 88.35 ? 168 GLU D OE2 1 ATOM 341 N N . GLN B 1 169 ? -34.632 58.895 -28.100 1.00 45.96 ? 169 GLN D N 1 ATOM 342 C CA . GLN B 1 169 ? -35.858 58.294 -28.613 1.00 47.79 ? 169 GLN D CA 1 ATOM 343 C C . GLN B 1 169 ? -35.536 57.491 -29.863 1.00 41.83 ? 169 GLN D C 1 ATOM 344 O O . GLN B 1 169 ? -36.013 56.369 -30.039 1.00 41.89 ? 169 GLN D O 1 ATOM 345 C CB . GLN B 1 169 ? -36.909 59.365 -28.917 1.00 54.04 ? 169 GLN D CB 1 ATOM 346 C CG . GLN B 1 169 ? -38.252 58.802 -29.371 1.00 70.88 ? 169 GLN D CG 1 ATOM 347 C CD . GLN B 1 169 ? -39.036 58.173 -28.227 1.00 76.77 ? 169 GLN D CD 1 ATOM 348 O OE1 . GLN B 1 169 ? -39.096 58.725 -27.128 1.00 76.12 ? 169 GLN D OE1 1 ATOM 349 N NE2 . GLN B 1 169 ? -39.634 57.008 -28.481 1.00 60.44 ? 169 GLN D NE2 1 ATOM 350 N N . PHE B 1 170 ? -34.705 58.053 -30.732 1.00 39.59 ? 170 PHE D N 1 ATOM 351 C CA . PHE B 1 170 ? -34.362 57.343 -31.969 1.00 42.78 ? 170 PHE D CA 1 ATOM 352 C C . PHE B 1 170 ? -33.584 56.051 -31.690 1.00 36.38 ? 170 PHE D C 1 ATOM 353 O O . PHE B 1 170 ? -33.748 55.062 -32.399 1.00 38.48 ? 170 PHE D O 1 ATOM 354 C CB . PHE B 1 170 ? -33.563 58.234 -32.915 1.00 42.74 ? 170 PHE D CB 1 ATOM 355 C CG . PHE B 1 170 ? -33.068 57.512 -34.133 1.00 48.46 ? 170 PHE D CG 1 ATOM 356 C CD1 . PHE B 1 170 ? -33.918 57.268 -35.203 1.00 48.37 ? 170 PHE D CD1 1 ATOM 357 C CD2 . PHE B 1 170 ? -31.761 57.061 -34.204 1.00 39.70 ? 170 PHE D CD2 1 ATOM 358 C CE1 . PHE B 1 170 ? -33.464 56.595 -36.331 1.00 42.35 ? 170 PHE D CE1 1 ATOM 359 C CE2 . PHE B 1 170 ? -31.301 56.390 -35.323 1.00 53.11 ? 170 PHE D CE2 1 ATOM 360 C CZ . PHE B 1 170 ? -32.153 56.156 -36.388 1.00 43.94 ? 170 PHE D CZ 1 ATOM 361 N N . LYS B 1 171 ? -32.767 56.039 -30.638 1.00 42.51 ? 171 LYS D N 1 ATOM 362 C CA . LYS B 1 171 ? -31.978 54.851 -30.327 1.00 43.55 ? 171 LYS D CA 1 ATOM 363 C C . LYS B 1 171 ? -32.837 53.655 -29.920 1.00 44.59 ? 171 LYS D C 1 ATOM 364 O O . LYS B 1 171 ? -32.556 52.519 -30.309 1.00 48.30 ? 171 LYS D O 1 ATOM 365 C CB . LYS B 1 171 ? -30.968 55.158 -29.218 1.00 57.26 ? 171 LYS D CB 1 ATOM 366 C CG . LYS B 1 171 ? -29.895 56.185 -29.586 1.00 49.01 ? 171 LYS D CG 1 ATOM 367 C CD . LYS B 1 171 ? -28.904 56.369 -28.431 1.00 53.17 ? 171 LYS D CD 1 ATOM 368 C CE . LYS B 1 171 ? -28.302 57.765 -28.449 1.00 47.41 ? 171 LYS D CE 1 ATOM 369 N NZ . LYS B 1 171 ? -27.432 57.997 -27.254 1.00 72.27 ? 171 LYS D NZ 1 ATOM 370 N N . LYS B 1 172 ? -33.858 53.903 -29.102 1.00 43.77 ? 172 LYS D N 1 ATOM 371 C CA . LYS B 1 172 ? -34.826 52.859 -28.755 1.00 45.76 ? 172 LYS D CA 1 ATOM 372 C C . LYS B 1 172 ? -35.557 52.351 -29.996 1.00 48.92 ? 172 LYS D C 1 ATOM 373 O O . LYS B 1 172 ? -35.792 51.155 -30.150 1.00 49.35 ? 172 LYS D O 1 ATOM 374 C CB . LYS B 1 172 ? -35.835 53.380 -27.731 1.00 40.33 ? 172 LYS D CB 1 ATOM 375 C CG . LYS B 1 172 ? -35.263 53.508 -26.316 1.00 53.78 ? 172 LYS D CG 1 ATOM 376 C CD . LYS B 1 172 ? -36.319 53.949 -25.319 1.00 90.07 ? 172 LYS D CD 1 ATOM 377 C CE . LYS B 1 172 ? -35.791 53.903 -23.888 1.00 83.23 ? 172 LYS D CE 1 ATOM 378 N NZ . LYS B 1 172 ? -36.862 54.228 -22.910 1.00 88.21 ? 172 LYS D NZ 1 ATOM 379 N N . GLU B 1 173 ? -35.914 53.270 -30.883 1.00 37.17 ? 173 GLU D N 1 ATOM 380 C CA . GLU B 1 173 ? -36.568 52.885 -32.133 1.00 45.80 ? 173 GLU D CA 1 ATOM 381 C C . GLU B 1 173 ? -35.672 51.992 -32.965 1.00 43.28 ? 173 GLU D C 1 ATOM 382 O O . GLU B 1 173 ? -36.124 50.982 -33.497 1.00 41.01 ? 173 GLU D O 1 ATOM 383 C CB . GLU B 1 173 ? -36.963 54.118 -32.931 1.00 48.91 ? 173 GLU D CB 1 ATOM 384 C CG . GLU B 1 173 ? -38.023 54.962 -32.245 1.00 52.97 ? 173 GLU D CG 1 ATOM 385 C CD . GLU B 1 173 ? -38.344 56.202 -33.036 1.00 50.03 ? 173 GLU D CD 1 ATOM 386 O OE1 . GLU B 1 173 ? -37.765 56.363 -34.129 1.00 76.89 ? 173 GLU D OE1 1 ATOM 387 O OE2 . GLU B 1 173 ? -39.166 57.013 -32.577 1.00 60.37 ? 173 GLU D OE2 1 ATOM 388 N N . LEU B 1 174 ? -34.387 52.346 -33.043 1.00 43.84 ? 174 LEU D N 1 ATOM 389 C CA . LEU B 1 174 ? -33.431 51.582 -33.850 1.00 45.86 ? 174 LEU D CA 1 ATOM 390 C C . LEU B 1 174 ? -33.213 50.174 -33.280 1.00 37.69 ? 174 LEU D C 1 ATOM 391 O O . LEU B 1 174 ? -33.069 49.201 -34.020 1.00 46.52 ? 174 LEU D O 1 ATOM 392 C CB . LEU B 1 174 ? -32.098 52.328 -33.948 1.00 43.17 ? 174 LEU D CB 1 ATOM 393 C CG . LEU B 1 174 ? -31.118 51.784 -34.990 1.00 55.21 ? 174 LEU D CG 1 ATOM 394 C CD1 . LEU B 1 174 ? -31.729 51.861 -36.383 1.00 48.02 ? 174 LEU D CD1 1 ATOM 395 C CD2 . LEU B 1 174 ? -29.788 52.530 -34.937 1.00 49.89 ? 174 LEU D CD2 1 ATOM 396 N N . VAL B 1 175 ? -33.210 50.076 -31.957 1.00 42.52 ? 175 VAL D N 1 ATOM 397 C CA . VAL B 1 175 ? -33.121 48.797 -31.264 1.00 46.58 ? 175 VAL D CA 1 ATOM 398 C C . VAL B 1 175 ? -34.353 47.917 -31.547 1.00 49.07 ? 175 VAL D C 1 ATOM 399 O O . VAL B 1 175 ? -34.229 46.720 -31.804 1.00 50.55 ? 175 VAL D O 1 ATOM 400 C CB . VAL B 1 175 ? -32.960 49.027 -29.737 1.00 57.31 ? 175 VAL D CB 1 ATOM 401 C CG1 . VAL B 1 175 ? -33.195 47.753 -28.946 1.00 47.67 ? 175 VAL D CG1 1 ATOM 402 C CG2 . VAL B 1 175 ? -31.589 49.606 -29.443 1.00 55.69 ? 175 VAL D CG2 1 ATOM 403 N N . LEU B 1 176 ? -35.540 48.510 -31.511 1.00 51.42 ? 176 LEU D N 1 ATOM 404 C CA . LEU B 1 176 ? -36.750 47.767 -31.851 1.00 46.25 ? 176 LEU D CA 1 ATOM 405 C C . LEU B 1 176 ? -36.725 47.348 -33.318 1.00 43.22 ? 176 LEU D C 1 ATOM 406 O O . LEU B 1 176 ? -37.128 46.233 -33.663 1.00 54.00 ? 176 LEU D O 1 ATOM 407 C CB . LEU B 1 176 ? -37.991 48.602 -31.542 1.00 44.67 ? 176 LEU D CB 1 ATOM 408 C CG . LEU B 1 176 ? -38.178 48.883 -30.050 1.00 54.60 ? 176 LEU D CG 1 ATOM 409 C CD1 . LEU B 1 176 ? -39.232 49.948 -29.810 1.00 45.98 ? 176 LEU D CD1 1 ATOM 410 C CD2 . LEU B 1 176 ? -38.539 47.589 -29.328 1.00 54.06 ? 176 LEU D CD2 1 ATOM 411 N N . TYR B 1 177 ? -36.225 48.226 -34.183 1.00 43.96 ? 177 TYR D N 1 ATOM 412 C CA . TYR B 1 177 ? -36.102 47.876 -35.601 1.00 36.79 ? 177 TYR D CA 1 ATOM 413 C C . TYR B 1 177 ? -35.191 46.668 -35.801 1.00 46.85 ? 177 TYR D C 1 ATOM 414 O O . TYR B 1 177 ? -35.521 45.745 -36.549 1.00 55.29 ? 177 TYR D O 1 ATOM 415 C CB . TYR B 1 177 ? -35.564 49.051 -36.432 1.00 44.69 ? 177 TYR D CB 1 ATOM 416 C CG . TYR B 1 177 ? -35.260 48.633 -37.859 1.00 50.40 ? 177 TYR D CG 1 ATOM 417 C CD1 . TYR B 1 177 ? -36.278 48.531 -38.795 1.00 46.71 ? 177 TYR D CD1 1 ATOM 418 C CD2 . TYR B 1 177 ? -33.967 48.299 -38.258 1.00 50.26 ? 177 TYR D CD2 1 ATOM 419 C CE1 . TYR B 1 177 ? -36.027 48.128 -40.088 1.00 44.86 ? 177 TYR D CE1 1 ATOM 420 C CE2 . TYR B 1 177 ? -33.701 47.894 -39.566 1.00 46.23 ? 177 TYR D CE2 1 ATOM 421 C CZ . TYR B 1 177 ? -34.743 47.810 -40.470 1.00 49.13 ? 177 TYR D CZ 1 ATOM 422 O OH . TYR B 1 177 ? -34.519 47.411 -41.765 1.00 49.87 ? 177 TYR D OH 1 ATOM 423 N N . GLU B 1 178 ? -34.039 46.679 -35.142 1.00 56.39 ? 178 GLU D N 1 ATOM 424 C CA . GLU B 1 178 ? -33.055 45.617 -35.317 1.00 45.56 ? 178 GLU D CA 1 ATOM 425 C C . GLU B 1 178 ? -33.572 44.271 -34.819 1.00 59.81 ? 178 GLU D C 1 ATOM 426 O O . GLU B 1 178 ? -33.440 43.267 -35.519 1.00 53.39 ? 178 GLU D O 1 ATOM 427 C CB . GLU B 1 178 ? -31.746 45.983 -34.610 1.00 52.77 ? 178 GLU D CB 1 ATOM 428 C CG . GLU B 1 178 ? -31.004 47.141 -35.273 1.00 62.35 ? 178 GLU D CG 1 ATOM 429 C CD . GLU B 1 178 ? -29.605 47.361 -34.703 1.00 75.69 ? 178 GLU D CD 1 ATOM 430 O OE1 . GLU B 1 178 ? -29.312 46.832 -33.609 1.00 75.10 ? 178 GLU D OE1 1 ATOM 431 O OE2 . GLU B 1 178 ? -28.800 48.067 -35.351 1.00 52.95 ? 178 GLU D OE2 1 ATOM 432 N N . GLN B 1 179 ? -34.160 44.251 -33.620 1.00 49.52 ? 179 GLN D N 1 ATOM 433 C CA . GLN B 1 179 ? -34.788 43.036 -33.098 1.00 54.94 ? 179 GLN D CA 1 ATOM 434 C C . GLN B 1 179 ? -35.823 42.505 -34.083 1.00 50.62 ? 179 GLN D C 1 ATOM 435 O O . GLN B 1 179 ? -35.846 41.319 -34.405 1.00 65.58 ? 179 GLN D O 1 ATOM 436 C CB . GLN B 1 179 ? -35.455 43.295 -31.739 1.00 53.83 ? 179 GLN D CB 1 ATOM 437 C CG . GLN B 1 179 ? -34.493 43.665 -30.618 1.00 63.50 ? 179 GLN D CG 1 ATOM 438 C CD . GLN B 1 179 ? -35.208 43.945 -29.310 1.00 70.30 ? 179 GLN D CD 1 ATOM 439 O OE1 . GLN B 1 179 ? -36.439 43.921 -29.247 1.00 77.17 ? 179 GLN D OE1 1 ATOM 440 N NE2 . GLN B 1 179 ? -34.441 44.211 -28.257 1.00 73.43 ? 179 GLN D NE2 1 ATOM 441 N N . LYS B 1 180 ? -36.678 43.393 -34.567 1.00 50.52 ? 180 LYS D N 1 ATOM 442 C CA . LYS B 1 180 ? -37.689 42.995 -35.537 1.00 47.15 ? 180 LYS D CA 1 ATOM 443 C C . LYS B 1 180 ? -37.039 42.357 -36.752 1.00 62.70 ? 180 LYS D C 1 ATOM 444 O O . LYS B 1 180 ? -37.480 41.314 -37.231 1.00 67.16 ? 180 LYS D O 1 ATOM 445 C CB . LYS B 1 180 ? -38.537 44.196 -35.951 1.00 53.81 ? 180 LYS D CB 1 ATOM 446 C CG . LYS B 1 180 ? -39.627 43.869 -36.964 1.00 71.07 ? 180 LYS D CG 1 ATOM 447 C CD . LYS B 1 180 ? -40.626 45.007 -37.076 1.00 85.85 ? 180 LYS D CD 1 ATOM 448 C CE . LYS B 1 180 ? -41.583 44.796 -38.244 1.00 97.26 ? 180 LYS D CE 1 ATOM 449 N NZ . LYS B 1 180 ? -42.319 43.502 -38.166 1.00 93.45 ? 180 LYS D NZ 1 ATOM 450 N N . LYS B 1 181 ? -35.970 42.978 -37.236 1.00 56.45 ? 181 LYS D N 1 ATOM 451 C CA . LYS B 1 181 ? -35.280 42.485 -38.417 1.00 55.35 ? 181 LYS D CA 1 ATOM 452 C C . LYS B 1 181 ? -34.607 41.141 -38.149 1.00 60.43 ? 181 LYS D C 1 ATOM 453 O O . LYS B 1 181 ? -34.613 40.258 -39.004 1.00 60.93 ? 181 LYS D O 1 ATOM 454 C CB . LYS B 1 181 ? -34.252 43.512 -38.890 1.00 59.58 ? 181 LYS D CB 1 ATOM 455 C CG . LYS B 1 181 ? -33.555 43.122 -40.161 1.00 68.52 ? 181 LYS D CG 1 ATOM 456 C CD . LYS B 1 181 ? -34.548 43.040 -41.301 1.00 71.98 ? 181 LYS D CD 1 ATOM 457 C CE . LYS B 1 181 ? -35.272 44.355 -41.473 1.00 57.46 ? 181 LYS D CE 1 ATOM 458 N NZ . LYS B 1 181 ? -36.082 44.352 -42.717 1.00 57.59 ? 181 LYS D NZ 1 ATOM 459 N N . PHE B 1 182 ? -34.026 40.991 -36.961 1.00 64.47 ? 182 PHE D N 1 ATOM 460 C CA . PHE B 1 182 ? -33.460 39.709 -36.543 1.00 67.87 ? 182 PHE D CA 1 ATOM 461 C C . PHE B 1 182 ? -34.502 38.588 -36.612 1.00 77.06 ? 182 PHE D C 1 ATOM 462 O O . PHE B 1 182 ? -34.218 37.502 -37.119 1.00 79.73 ? 182 PHE D O 1 ATOM 463 C CB . PHE B 1 182 ? -32.887 39.808 -35.126 1.00 73.39 ? 182 PHE D CB 1 ATOM 464 C CG . PHE B 1 182 ? -31.448 40.243 -35.084 1.00 73.93 ? 182 PHE D CG 1 ATOM 465 C CD1 . PHE B 1 182 ? -30.524 39.706 -35.966 1.00 82.82 ? 182 PHE D CD1 1 ATOM 466 C CD2 . PHE B 1 182 ? -31.020 41.193 -34.169 1.00 74.18 ? 182 PHE D CD2 1 ATOM 467 C CE1 . PHE B 1 182 ? -29.198 40.103 -35.935 1.00 79.97 ? 182 PHE D CE1 1 ATOM 468 C CE2 . PHE B 1 182 ? -29.695 41.596 -34.134 1.00 74.80 ? 182 PHE D CE2 1 ATOM 469 C CZ . PHE B 1 182 ? -28.784 41.049 -35.019 1.00 72.02 ? 182 PHE D CZ 1 ATOM 470 N N . LYS B 1 183 ? -35.704 38.858 -36.104 1.00 61.26 ? 183 LYS D N 1 ATOM 471 C CA . LYS B 1 183 ? -36.813 37.909 -36.201 1.00 63.65 ? 183 LYS D CA 1 ATOM 472 C C . LYS B 1 183 ? -37.127 37.551 -37.649 1.00 76.91 ? 183 LYS D C 1 ATOM 473 O O . LYS B 1 183 ? -37.222 36.373 -37.996 1.00 78.46 ? 183 LYS D O 1 ATOM 474 C CB . LYS B 1 183 ? -38.074 38.472 -35.542 1.00 75.69 ? 183 LYS D CB 1 ATOM 475 C CG . LYS B 1 183 ? -37.926 38.824 -34.078 1.00 91.00 ? 183 LYS D CG 1 ATOM 476 C CD . LYS B 1 183 ? -39.152 39.579 -33.579 1.00 94.72 ? 183 LYS D CD 1 ATOM 477 C CE . LYS B 1 183 ? -38.910 40.174 -32.198 1.00 90.18 ? 183 LYS D CE 1 ATOM 478 N NZ . LYS B 1 183 ? -39.944 41.185 -31.852 1.00 91.28 ? 183 LYS D NZ 1 ATOM 479 N N . GLU B 1 184 ? -37.298 38.574 -38.485 1.00 62.27 ? 184 GLU D N 1 ATOM 480 C CA . GLU B 1 184 ? -37.648 38.375 -39.890 1.00 63.55 ? 184 GLU D CA 1 ATOM 481 C C . GLU B 1 184 ? -36.630 37.504 -40.621 1.00 62.50 ? 184 GLU D C 1 ATOM 482 O O . GLU B 1 184 ? -36.995 36.696 -41.474 1.00 72.29 ? 184 GLU D O 1 ATOM 483 C CB . GLU B 1 184 ? -37.777 39.719 -40.612 1.00 68.98 ? 184 GLU D CB 1 ATOM 484 C CG . GLU B 1 184 ? -38.800 40.676 -40.016 1.00 55.34 ? 184 GLU D CG 1 ATOM 485 C CD . GLU B 1 184 ? -38.776 42.032 -40.703 1.00 66.10 ? 184 GLU D CD 1 ATOM 486 O OE1 . GLU B 1 184 ? -38.088 42.159 -41.735 1.00 69.54 ? 184 GLU D OE1 1 ATOM 487 O OE2 . GLU B 1 184 ? -39.441 42.969 -40.218 1.00 75.82 ? 184 GLU D OE2 1 ATOM 488 N N . TYR B 1 185 ? -35.355 37.676 -40.293 1.00 62.99 ? 185 TYR D N 1 ATOM 489 C CA . TYR B 1 185 ? -34.299 36.889 -40.918 1.00 71.46 ? 185 TYR D CA 1 ATOM 490 C C . TYR B 1 185 ? -34.265 35.478 -40.342 1.00 77.64 ? 185 TYR D C 1 ATOM 491 O O . TYR B 1 185 ? -33.988 34.513 -41.054 1.00 76.86 ? 185 TYR D O 1 ATOM 492 C CB . TYR B 1 185 ? -32.933 37.566 -40.742 1.00 74.58 ? 185 TYR D CB 1 ATOM 493 C CG . TYR B 1 185 ? -32.563 38.532 -41.852 1.00 81.50 ? 185 TYR D CG 1 ATOM 494 C CD1 . TYR B 1 185 ? -32.043 38.071 -43.054 1.00 78.37 ? 185 TYR D CD1 1 ATOM 495 C CD2 . TYR B 1 185 ? -32.720 39.904 -41.692 1.00 71.06 ? 185 TYR D CD2 1 ATOM 496 C CE1 . TYR B 1 185 ? -31.700 38.943 -44.066 1.00 75.01 ? 185 TYR D CE1 1 ATOM 497 C CE2 . TYR B 1 185 ? -32.380 40.787 -42.705 1.00 65.78 ? 185 TYR D CE2 1 ATOM 498 C CZ . TYR B 1 185 ? -31.869 40.300 -43.889 1.00 69.70 ? 185 TYR D CZ 1 ATOM 499 O OH . TYR B 1 185 ? -31.526 41.167 -44.904 1.00 67.12 ? 185 TYR D OH 1 ATOM 500 N N . GLY B 1 186 ? -34.547 35.367 -39.047 1.00 69.54 ? 186 GLY D N 1 ATOM 501 C CA . GLY B 1 186 ? -34.552 34.079 -38.378 1.00 73.49 ? 186 GLY D CA 1 ATOM 502 C C . GLY B 1 186 ? -35.615 33.147 -38.926 1.00 77.13 ? 186 GLY D C 1 ATOM 503 O O . GLY B 1 186 ? -35.325 32.014 -39.308 1.00 84.59 ? 186 GLY D O 1 ATOM 504 N N . MET B 1 187 ? -36.852 33.629 -38.965 1.00 75.16 ? 187 MET D N 1 ATOM 505 C CA . MET B 1 187 ? -37.967 32.844 -39.479 1.00 77.44 ? 187 MET D CA 1 ATOM 506 C C . MET B 1 187 ? -37.732 32.394 -40.913 1.00 84.10 ? 187 MET D C 1 ATOM 507 O O . MET B 1 187 ? -37.982 31.240 -41.258 1.00 100.46 ? 187 MET D O 1 ATOM 508 C CB . MET B 1 187 ? -39.264 33.646 -39.400 1.00 74.76 ? 187 MET D CB 1 ATOM 509 C CG . MET B 1 187 ? -39.668 34.038 -37.992 1.00 83.70 ? 187 MET D CG 1 ATOM 510 S SD . MET B 1 187 ? -41.284 34.832 -37.966 1.00 115.00 ? 187 MET D SD 1 ATOM 511 C CE . MET B 1 187 ? -41.097 36.020 -39.295 1.00 83.72 ? 187 MET D CE 1 ATOM 512 N N . LYS B 1 188 ? -37.252 33.312 -41.745 1.00 85.20 ? 188 LYS D N 1 ATOM 513 C CA . LYS B 1 188 ? -37.031 33.021 -43.156 1.00 77.20 ? 188 LYS D CA 1 ATOM 514 C C . LYS B 1 188 ? -35.916 32.002 -43.337 1.00 82.01 ? 188 LYS D C 1 ATOM 515 O O . LYS B 1 188 ? -35.938 31.207 -44.273 1.00 93.72 ? 188 LYS D O 1 ATOM 516 C CB . LYS B 1 188 ? -36.701 34.301 -43.921 1.00 78.08 ? 188 LYS D CB 1 ATOM 517 C CG . LYS B 1 188 ? -36.738 34.147 -45.432 1.00 85.15 ? 188 LYS D CG 1 ATOM 518 C CD . LYS B 1 188 ? -38.142 33.819 -45.912 1.00 94.71 ? 188 LYS D CD 1 ATOM 519 C CE . LYS B 1 188 ? -38.257 33.954 -47.423 1.00 107.20 ? 188 LYS D CE 1 ATOM 520 N NZ . LYS B 1 188 ? -38.053 35.361 -47.874 1.00 110.54 ? 188 LYS D NZ 1 ATOM 521 N N . ILE B 1 189 ? -34.939 32.031 -42.440 1.00 79.77 ? 189 ILE D N 1 ATOM 522 C CA . ILE B 1 189 ? -33.832 31.086 -42.504 1.00 94.89 ? 189 ILE D CA 1 ATOM 523 C C . ILE B 1 189 ? -34.290 29.697 -42.078 1.00 91.34 ? 189 ILE D C 1 ATOM 524 O O . ILE B 1 189 ? -33.903 28.697 -42.679 1.00 97.36 ? 189 ILE D O 1 ATOM 525 C CB . ILE B 1 189 ? -32.649 31.533 -41.623 1.00 91.21 ? 189 ILE D CB 1 ATOM 526 C CG1 . ILE B 1 189 ? -31.879 32.667 -42.307 1.00 92.50 ? 189 ILE D CG1 1 ATOM 527 C CG2 . ILE B 1 189 ? -31.719 30.366 -41.354 1.00 86.93 ? 189 ILE D CG2 1 ATOM 528 C CD1 . ILE B 1 189 ? -30.720 33.212 -41.485 1.00 83.50 ? 189 ILE D CD1 1 ATOM 529 N N . ASP B 1 190 ? -35.122 29.640 -41.044 1.00 90.99 ? 190 ASP D N 1 ATOM 530 C CA . ASP B 1 190 ? -35.641 28.367 -40.558 1.00 99.16 ? 190 ASP D CA 1 ATOM 531 C C . ASP B 1 190 ? -36.633 27.770 -41.546 1.00 99.71 ? 190 ASP D C 1 ATOM 532 O O . ASP B 1 190 ? -36.622 26.567 -41.804 1.00 106.10 ? 190 ASP D O 1 ATOM 533 C CB . ASP B 1 190 ? -36.300 28.543 -39.189 1.00 97.45 ? 190 ASP D CB 1 ATOM 534 C CG . ASP B 1 190 ? -35.296 28.837 -38.097 1.00 110.13 ? 190 ASP D CG 1 ATOM 535 O OD1 . ASP B 1 190 ? -34.135 28.393 -38.225 1.00 119.53 ? 190 ASP D OD1 1 ATOM 536 O OD2 . ASP B 1 190 ? -35.664 29.511 -37.113 1.00 122.91 ? 190 ASP D OD2 1 ATOM 537 N N . GLU B 1 191 ? -37.486 28.625 -42.097 1.00 93.97 ? 191 GLU D N 1 ATOM 538 C CA . GLU B 1 191 ? -38.491 28.207 -43.064 1.00 97.59 ? 191 GLU D CA 1 ATOM 539 C C . GLU B 1 191 ? -37.865 27.556 -44.292 1.00 96.65 ? 191 GLU D C 1 ATOM 540 O O . GLU B 1 191 ? -38.452 26.662 -44.896 1.00 112.84 ? 191 GLU D O 1 ATOM 541 C CB . GLU B 1 191 ? -39.339 29.406 -43.486 1.00 101.17 ? 191 GLU D CB 1 ATOM 542 C CG . GLU B 1 191 ? -40.308 29.126 -44.614 1.00 112.52 ? 191 GLU D CG 1 ATOM 543 C CD . GLU B 1 191 ? -41.117 30.350 -44.990 1.00 130.67 ? 191 GLU D CD 1 ATOM 544 O OE1 . GLU B 1 191 ? -40.933 31.406 -44.344 1.00 115.47 ? 191 GLU D OE1 1 ATOM 545 O OE2 . GLU B 1 191 ? -41.935 30.258 -45.930 1.00 145.89 ? 191 GLU D OE2 1 ATOM 546 N N . ILE B 1 192 ? -36.669 28.005 -44.654 1.00 95.05 ? 192 ILE D N 1 ATOM 547 C CA . ILE B 1 192 ? -35.995 27.511 -45.848 1.00 95.48 ? 192 ILE D CA 1 ATOM 548 C C . ILE B 1 192 ? -35.095 26.317 -45.535 1.00 101.94 ? 192 ILE D C 1 ATOM 549 O O . ILE B 1 192 ? -34.772 25.527 -46.422 1.00 107.66 ? 192 ILE D O 1 ATOM 550 C CB . ILE B 1 192 ? -35.165 28.625 -46.519 1.00 90.60 ? 192 ILE D CB 1 ATOM 551 C CG1 . ILE B 1 192 ? -36.092 29.714 -47.056 1.00 86.91 ? 192 ILE D CG1 1 ATOM 552 C CG2 . ILE B 1 192 ? -34.326 28.070 -47.655 1.00 97.57 ? 192 ILE D CG2 1 ATOM 553 C CD1 . ILE B 1 192 ? -35.383 30.757 -47.889 1.00 105.55 ? 192 ILE D CD1 1 ATOM 554 N N . THR B 1 193 ? -34.694 26.180 -44.276 1.00 99.52 ? 193 THR D N 1 ATOM 555 C CA . THR B 1 193 ? -33.949 24.999 -43.862 1.00 100.81 ? 193 THR D CA 1 ATOM 556 C C . THR B 1 193 ? -34.897 23.809 -43.770 1.00 113.44 ? 193 THR D C 1 ATOM 557 O O . THR B 1 193 ? -34.544 22.695 -44.154 1.00 125.42 ? 193 THR D O 1 ATOM 558 C CB . THR B 1 193 ? -33.237 25.201 -42.513 1.00 100.86 ? 193 THR D CB 1 ATOM 559 O OG1 . THR B 1 193 ? -34.187 25.616 -41.524 1.00 112.14 ? 193 THR D OG1 1 ATOM 560 C CG2 . THR B 1 193 ? -32.142 26.250 -42.639 1.00 87.52 ? 193 THR D CG2 1 ATOM 561 N N . LYS B 1 194 ? -36.105 24.053 -43.269 1.00 107.44 ? 194 LYS D N 1 ATOM 562 C CA . LYS B 1 194 ? -37.128 23.016 -43.207 1.00 107.73 ? 194 LYS D CA 1 ATOM 563 C C . LYS B 1 194 ? -37.494 22.545 -44.611 1.00 111.91 ? 194 LYS D C 1 ATOM 564 O O . LYS B 1 194 ? -37.474 21.349 -44.898 1.00 120.15 ? 194 LYS D O 1 ATOM 565 C CB . LYS B 1 194 ? -38.373 23.522 -42.477 1.00 101.62 ? 194 LYS D CB 1 ATOM 566 C CG . LYS B 1 194 ? -38.122 23.910 -41.030 1.00 107.26 ? 194 LYS D CG 1 ATOM 567 C CD . LYS B 1 194 ? -39.376 24.464 -40.379 1.00 109.92 ? 194 LYS D CD 1 ATOM 568 C CE . LYS B 1 194 ? -39.099 24.925 -38.957 1.00 113.09 ? 194 LYS D CE 1 ATOM 569 N NZ . LYS B 1 194 ? -40.317 25.480 -38.302 1.00 122.23 ? 194 LYS D NZ 1 ATOM 570 N N . GLU B 1 195 ? -37.817 23.494 -45.484 1.00 104.61 ? 195 GLU D N 1 ATOM 571 C CA . GLU B 1 195 ? -38.148 23.182 -46.870 1.00 109.88 ? 195 GLU D CA 1 ATOM 572 C C . GLU B 1 195 ? -36.932 22.633 -47.610 1.00 109.35 ? 195 GLU D C 1 ATOM 573 O O . GLU B 1 195 ? -37.041 22.167 -48.743 1.00 113.63 ? 195 GLU D O 1 ATOM 574 C CB . GLU B 1 195 ? -38.688 24.420 -47.589 1.00 113.30 ? 195 GLU D CB 1 ATOM 575 C CG . GLU B 1 195 ? -39.951 25.001 -46.966 1.00 127.79 ? 195 GLU D CG 1 ATOM 576 C CD . GLU B 1 195 ? -40.420 26.267 -47.663 1.00 140.24 ? 195 GLU D CD 1 ATOM 577 O OE1 . GLU B 1 195 ? -39.823 26.636 -48.698 1.00 135.32 ? 195 GLU D OE1 1 ATOM 578 O OE2 . GLU B 1 195 ? -41.384 26.894 -47.174 1.00 134.50 ? 195 GLU D OE2 1 ATOM 579 N N . ASN B 1 196 ? -35.774 22.697 -46.962 1.00 109.61 ? 196 ASN D N 1 ATOM 580 C CA . ASN B 1 196 ? -34.541 22.162 -47.524 1.00 114.12 ? 196 ASN D CA 1 ATOM 581 C C . ASN B 1 196 ? -34.290 20.740 -47.042 1.00 116.90 ? 196 ASN D C 1 ATOM 582 O O . ASN B 1 196 ? -33.885 19.875 -47.816 1.00 121.27 ? 196 ASN D O 1 ATOM 583 C CB . ASN B 1 196 ? -33.355 23.056 -47.159 1.00 117.49 ? 196 ASN D CB 1 ATOM 584 C CG . ASN B 1 196 ? -32.043 22.545 -47.721 1.00 124.39 ? 196 ASN D CG 1 ATOM 585 O OD1 . ASN B 1 196 ? -32.014 21.881 -48.757 1.00 129.65 ? 196 ASN D OD1 1 ATOM 586 N ND2 . ASN B 1 196 ? -30.948 22.852 -47.037 1.00 128.85 ? 196 ASN D ND2 1 ATOM 587 N N . LYS B 1 197 ? -34.531 20.510 -45.754 1.00 114.95 ? 197 LYS D N 1 ATOM 588 C CA . LYS B 1 197 ? -34.369 19.188 -45.162 1.00 120.81 ? 197 LYS D CA 1 ATOM 589 C C . LYS B 1 197 ? -35.296 18.180 -45.828 1.00 128.19 ? 197 LYS D C 1 ATOM 590 O O . LYS B 1 197 ? -34.909 17.043 -46.098 1.00 129.72 ? 197 LYS D O 1 ATOM 591 C CB . LYS B 1 197 ? -34.647 19.230 -43.657 1.00 121.56 ? 197 LYS D CB 1 ATOM 592 C CG . LYS B 1 197 ? -33.703 20.112 -42.858 1.00 127.40 ? 197 LYS D CG 1 ATOM 593 C CD . LYS B 1 197 ? -34.134 20.191 -41.399 1.00 123.85 ? 197 LYS D CD 1 ATOM 594 C CE . LYS B 1 197 ? -33.213 21.098 -40.597 1.00 127.71 ? 197 LYS D CE 1 ATOM 595 N NZ . LYS B 1 197 ? -33.597 21.150 -39.158 1.00 133.52 ? 197 LYS D NZ 1 ATOM 596 N N . LYS B 1 198 ? -36.523 18.613 -46.093 1.00 121.27 ? 198 LYS D N 1 ATOM 597 C CA . LYS B 1 198 ? -37.556 17.734 -46.624 1.00 120.86 ? 198 LYS D CA 1 ATOM 598 C C . LYS B 1 198 ? -37.433 17.542 -48.134 1.00 128.63 ? 198 LYS D C 1 ATOM 599 O O . LYS B 1 198 ? -38.293 16.926 -48.761 1.00 135.93 ? 198 LYS D O 1 ATOM 600 C CB . LYS B 1 198 ? -38.936 18.282 -46.265 1.00 118.63 ? 198 LYS D CB 1 ATOM 601 C CG . LYS B 1 198 ? -39.131 18.461 -44.767 1.00 123.59 ? 198 LYS D CG 1 ATOM 602 C CD . LYS B 1 198 ? -40.451 19.133 -44.441 1.00 123.70 ? 198 LYS D CD 1 ATOM 603 C CE . LYS B 1 198 ? -40.579 19.375 -42.946 1.00 116.94 ? 198 LYS D CE 1 ATOM 604 N NZ . LYS B 1 198 ? -41.845 20.077 -42.606 1.00 127.67 ? 198 LYS D NZ 1 ATOM 605 N N . LEU B 1 199 ? -36.361 18.074 -48.712 1.00 128.36 ? 199 LEU D N 1 ATOM 606 C CA . LEU B 1 199 ? -36.041 17.812 -50.109 1.00 126.16 ? 199 LEU D CA 1 ATOM 607 C C . LEU B 1 199 ? -34.995 16.708 -50.192 1.00 134.06 ? 199 LEU D C 1 ATOM 608 O O . LEU B 1 199 ? -34.951 15.948 -51.159 1.00 141.58 ? 199 LEU D O 1 ATOM 609 C CB . LEU B 1 199 ? -35.538 19.074 -50.810 1.00 125.45 ? 199 LEU D CB 1 ATOM 610 C CG . LEU B 1 199 ? -36.557 20.195 -51.019 1.00 122.44 ? 199 LEU D CG 1 ATOM 611 C CD1 . LEU B 1 199 ? -36.032 21.214 -52.021 1.00 115.17 ? 199 LEU D CD1 1 ATOM 612 C CD2 . LEU B 1 199 ? -37.893 19.629 -51.469 1.00 121.07 ? 199 LEU D CD2 1 ATOM 613 N N . ALA B 1 200 ? -34.151 16.631 -49.169 1.00 132.55 ? 200 ALA D N 1 ATOM 614 C CA . ALA B 1 200 ? -33.166 15.564 -49.071 1.00 139.69 ? 200 ALA D CA 1 ATOM 615 C C . ALA B 1 200 ? -33.855 14.255 -48.708 1.00 148.71 ? 200 ALA D C 1 ATOM 616 O O . ALA B 1 200 ? -33.323 13.172 -48.948 1.00 152.97 ? 200 ALA D O 1 ATOM 617 C CB . ALA B 1 200 ? -32.099 15.913 -48.046 1.00 129.23 ? 200 ALA D CB 1 ATOM 618 N N . ASN B 1 201 ? -35.045 14.365 -48.125 1.00 144.87 ? 201 ASN D N 1 ATOM 619 C CA . ASN B 1 201 ? -35.828 13.193 -47.761 1.00 147.22 ? 201 ASN D CA 1 ATOM 620 C C . ASN B 1 201 ? -36.432 12.521 -48.988 1.00 152.84 ? 201 ASN D C 1 ATOM 621 O O . ASN B 1 201 ? -36.339 11.304 -49.148 1.00 160.77 ? 201 ASN D O 1 ATOM 622 C CB . ASN B 1 201 ? -36.932 13.571 -46.770 1.00 143.33 ? 201 ASN D CB 1 ATOM 623 C CG . ASN B 1 201 ? -36.383 14.039 -45.434 1.00 141.07 ? 201 ASN D CG 1 ATOM 624 O OD1 . ASN B 1 201 ? -35.244 13.736 -45.076 1.00 136.48 ? 201 ASN D OD1 1 ATOM 625 N ND2 . ASN B 1 201 ? -37.195 14.777 -44.686 1.00 135.26 ? 201 ASN D ND2 1 ATOM 626 N N . GLU B 1 202 ? -37.048 13.318 -49.856 1.00 147.71 ? 202 GLU D N 1 ATOM 627 C CA . GLU B 1 202 ? -37.633 12.798 -51.086 1.00 148.86 ? 202 GLU D CA 1 ATOM 628 C C . GLU B 1 202 ? -36.552 12.281 -52.030 1.00 152.02 ? 202 GLU D C 1 ATOM 629 O O . GLU B 1 202 ? -36.786 11.359 -52.810 1.00 154.55 ? 202 GLU D O 1 ATOM 630 C CB . GLU B 1 202 ? -38.472 13.870 -51.782 1.00 147.68 ? 202 GLU D CB 1 ATOM 631 C CG . GLU B 1 202 ? -39.690 14.313 -50.989 1.00 156.75 ? 202 GLU D CG 1 ATOM 632 C CD . GLU B 1 202 ? -40.617 15.202 -51.796 1.00 164.49 ? 202 GLU D CD 1 ATOM 633 O OE1 . GLU B 1 202 ? -40.391 15.346 -53.016 1.00 160.66 ? 202 GLU D OE1 1 ATOM 634 O OE2 . GLU B 1 202 ? -41.571 15.755 -51.209 1.00 167.41 ? 202 GLU D OE2 1 ATOM 635 N N . ILE B 1 203 ? -35.370 12.883 -51.957 1.00 152.58 ? 203 ILE D N 1 ATOM 636 C CA . ILE B 1 203 ? -34.234 12.426 -52.747 1.00 154.39 ? 203 ILE D CA 1 ATOM 637 C C . ILE B 1 203 ? -33.646 11.156 -52.147 1.00 161.38 ? 203 ILE D C 1 ATOM 638 O O . ILE B 1 203 ? -33.224 10.252 -52.868 1.00 166.16 ? 203 ILE D O 1 ATOM 639 C CB . ILE B 1 203 ? -33.134 13.498 -52.842 1.00 154.44 ? 203 ILE D CB 1 ATOM 640 C CG1 . ILE B 1 203 ? -33.628 14.699 -53.649 1.00 149.99 ? 203 ILE D CG1 1 ATOM 641 C CG2 . ILE B 1 203 ? -31.882 12.920 -53.478 1.00 164.41 ? 203 ILE D CG2 1 ATOM 642 C CD1 . ILE B 1 203 ? -32.573 15.757 -53.878 1.00 147.61 ? 203 ILE D CD1 1 ATOM 643 N N . GLY B 1 204 ? -33.624 11.096 -50.819 1.00 162.23 ? 204 GLY D N 1 ATOM 644 C CA . GLY B 1 204 ? -33.107 9.938 -50.115 1.00 165.16 ? 204 GLY D CA 1 ATOM 645 C C . GLY B 1 204 ? -33.957 8.707 -50.354 1.00 166.87 ? 204 GLY D C 1 ATOM 646 O O . GLY B 1 204 ? -33.474 7.578 -50.265 1.00 170.79 ? 204 GLY D O 1 ATOM 647 N N . ARG B 1 205 ? -35.231 8.928 -50.661 1.00 163.09 ? 205 ARG D N 1 ATOM 648 C CA . ARG B 1 205 ? -36.148 7.832 -50.944 1.00 162.85 ? 205 ARG D CA 1 ATOM 649 C C . ARG B 1 205 ? -36.045 7.390 -52.400 1.00 161.31 ? 205 ARG D C 1 ATOM 650 O O . ARG B 1 205 ? -35.833 6.211 -52.679 1.00 165.17 ? 205 ARG D O 1 ATOM 651 C CB . ARG B 1 205 ? -37.586 8.234 -50.608 1.00 153.97 ? 205 ARG D CB 1 ATOM 652 C CG . ARG B 1 205 ? -37.848 8.357 -49.116 1.00 147.15 ? 205 ARG D CG 1 ATOM 653 C CD . ARG B 1 205 ? -39.296 8.711 -48.822 1.00 150.32 ? 205 ARG D CD 1 ATOM 654 N NE . ARG B 1 205 ? -39.585 8.653 -47.391 1.00 163.72 ? 205 ARG D NE 1 ATOM 655 C CZ . ARG B 1 205 ? -39.415 9.669 -46.550 1.00 166.27 ? 205 ARG D CZ 1 ATOM 656 N NH1 . ARG B 1 205 ? -38.955 10.831 -46.994 1.00 165.69 ? 205 ARG D NH1 1 ATOM 657 N NH2 . ARG B 1 205 ? -39.704 9.523 -45.264 1.00 158.56 ? 205 ARG D NH2 1 ATOM 658 N N . LEU B 1 206 ? -36.172 8.340 -53.322 1.00 154.58 ? 206 LEU D N 1 ATOM 659 C CA . LEU B 1 206 ? -36.139 8.039 -54.752 1.00 154.56 ? 206 LEU D CA 1 ATOM 660 C C . LEU B 1 206 ? -34.820 7.406 -55.196 1.00 157.75 ? 206 LEU D C 1 ATOM 661 O O . LEU B 1 206 ? -34.708 6.918 -56.320 1.00 150.91 ? 206 LEU D O 1 ATOM 662 C CB . LEU B 1 206 ? -36.402 9.306 -55.570 1.00 148.12 ? 206 LEU D CB 1 ATOM 663 C CG . LEU B 1 206 ? -37.760 9.978 -55.359 1.00 147.06 ? 206 LEU D CG 1 ATOM 664 C CD1 . LEU B 1 206 ? -38.045 10.975 -56.473 1.00 144.05 ? 206 LEU D CD1 1 ATOM 665 C CD2 . LEU B 1 206 ? -38.868 8.940 -55.260 1.00 155.27 ? 206 LEU D CD2 1 ATOM 666 N N . ARG B 1 207 ? -33.823 7.422 -54.316 1.00 163.46 ? 207 ARG D N 1 ATOM 667 C CA . ARG B 1 207 ? -32.567 6.728 -54.579 1.00 165.14 ? 207 ARG D CA 1 ATOM 668 C C . ARG B 1 207 ? -32.573 5.343 -53.943 1.00 168.30 ? 207 ARG D C 1 ATOM 669 O O . ARG B 1 207 ? -32.039 4.387 -54.507 1.00 169.08 ? 207 ARG D O 1 ATOM 670 C CB . ARG B 1 207 ? -31.374 7.531 -54.059 1.00 168.62 ? 207 ARG D CB 1 ATOM 671 C CG . ARG B 1 207 ? -30.971 8.706 -54.932 1.00 171.51 ? 207 ARG D CG 1 ATOM 672 C CD . ARG B 1 207 ? -29.499 9.037 -54.732 1.00 174.07 ? 207 ARG D CD 1 ATOM 673 N NE . ARG B 1 207 ? -29.093 10.234 -55.463 1.00 174.96 ? 207 ARG D NE 1 ATOM 674 C CZ . ARG B 1 207 ? -28.923 11.427 -54.903 1.00 181.32 ? 207 ARG D CZ 1 ATOM 675 N NH1 . ARG B 1 207 ? -29.119 11.584 -53.601 1.00 180.50 ? 207 ARG D NH1 1 ATOM 676 N NH2 . ARG B 1 207 ? -28.552 12.463 -55.643 1.00 181.75 ? 207 ARG D NH2 1 ATOM 677 N N . GLU B 1 208 ? -33.178 5.242 -52.763 1.00 165.92 ? 208 GLU D N 1 ATOM 678 C CA . GLU B 1 208 ? -33.232 3.978 -52.040 1.00 166.09 ? 208 GLU D CA 1 ATOM 679 C C . GLU B 1 208 ? -34.285 3.052 -52.643 1.00 168.10 ? 208 GLU D C 1 ATOM 680 O O . GLU B 1 208 ? -34.270 1.845 -52.403 1.00 174.54 ? 208 GLU D O 1 ATOM 681 C CB . GLU B 1 208 ? -33.520 4.220 -50.556 1.00 167.60 ? 208 GLU D CB 1 ATOM 682 C CG . GLU B 1 208 ? -33.230 3.026 -49.654 1.00 169.87 ? 208 GLU D CG 1 ATOM 683 C CD . GLU B 1 208 ? -31.746 2.718 -49.533 1.00 163.61 ? 208 GLU D CD 1 ATOM 684 O OE1 . GLU B 1 208 ? -30.946 3.299 -50.297 1.00 158.58 ? 208 GLU D OE1 1 ATOM 685 O OE2 . GLU B 1 208 ? -31.378 1.895 -48.668 1.00 156.62 ? 208 GLU D OE2 1 ATOM 686 N N . ARG B 1 209 ? -35.197 3.623 -53.424 1.00 162.74 ? 209 ARG D N 1 ATOM 687 C CA . ARG B 1 209 ? -36.183 2.829 -54.149 1.00 160.01 ? 209 ARG D CA 1 ATOM 688 C C . ARG B 1 209 ? -35.480 1.942 -55.170 1.00 158.86 ? 209 ARG D C 1 ATOM 689 O O . ARG B 1 209 ? -35.677 0.726 -55.194 1.00 157.47 ? 209 ARG D O 1 ATOM 690 C CB . ARG B 1 209 ? -37.205 3.726 -54.851 1.00 157.34 ? 209 ARG D CB 1 ATOM 691 C CG . ARG B 1 209 ? -37.912 4.714 -53.939 1.00 156.12 ? 209 ARG D CG 1 ATOM 692 C CD . ARG B 1 209 ? -38.639 4.016 -52.804 1.00 150.79 ? 209 ARG D CD 1 ATOM 693 N NE . ARG B 1 209 ? -39.583 3.019 -53.299 1.00 155.63 ? 209 ARG D NE 1 ATOM 694 C CZ . ARG B 1 209 ? -40.645 3.302 -54.046 1.00 155.86 ? 209 ARG D CZ 1 ATOM 695 N NH1 . ARG B 1 209 ? -40.899 4.556 -54.396 1.00 151.08 ? 209 ARG D NH1 1 ATOM 696 N NH2 . ARG B 1 209 ? -41.451 2.330 -54.450 1.00 154.64 ? 209 ARG D NH2 1 ATOM 697 N N . TRP B 1 210 ? -34.657 2.561 -56.010 1.00 153.81 ? 210 TRP D N 1 ATOM 698 C CA . TRP B 1 210 ? -33.883 1.830 -57.005 1.00 153.97 ? 210 TRP D CA 1 ATOM 699 C C . TRP B 1 210 ? -32.793 0.988 -56.351 1.00 160.78 ? 210 TRP D C 1 ATOM 700 O O . TRP B 1 210 ? -32.262 0.067 -56.972 1.00 160.24 ? 210 TRP D O 1 ATOM 701 C CB . TRP B 1 210 ? -33.262 2.793 -58.018 1.00 144.23 ? 210 TRP D CB 1 ATOM 702 C CG . TRP B 1 210 ? -34.218 3.250 -59.076 1.00 149.78 ? 210 TRP D CG 1 ATOM 703 C CD1 . TRP B 1 210 ? -35.581 3.252 -59.005 1.00 145.97 ? 210 TRP D CD1 1 ATOM 704 C CD2 . TRP B 1 210 ? -33.884 3.755 -60.370 1.00 151.67 ? 210 TRP D CD2 1 ATOM 705 N NE1 . TRP B 1 210 ? -36.117 3.736 -60.174 1.00 141.47 ? 210 TRP D NE1 1 ATOM 706 C CE2 . TRP B 1 210 ? -35.090 4.054 -61.036 1.00 151.44 ? 210 TRP D CE2 1 ATOM 707 C CE3 . TRP B 1 210 ? -32.677 3.992 -61.043 1.00 140.63 ? 210 TRP D CE3 1 ATOM 708 C CZ2 . TRP B 1 210 ? -35.134 4.571 -62.325 1.00 149.17 ? 210 TRP D CZ2 1 ATOM 709 C CZ3 . TRP B 1 210 ? -32.718 4.507 -62.326 1.00 140.66 ? 210 TRP D CZ3 1 ATOM 710 C CH2 . TRP B 1 210 ? -33.938 4.791 -62.953 1.00 145.87 ? 210 TRP D CH2 1 ATOM 711 N N . ASP B 1 211 ? -32.477 1.318 -55.099 1.00 165.90 ? 211 ASP D N 1 ATOM 712 C CA . ASP B 1 211 ? -31.466 0.623 -54.294 1.00 162.38 ? 211 ASP D CA 1 ATOM 713 C C . ASP B 1 211 ? -30.222 0.229 -55.089 1.00 158.57 ? 211 ASP D C 1 ATOM 714 O O . ASP B 1 211 ? -29.101 0.585 -54.723 1.00 147.60 ? 211 ASP D O 1 ATOM 715 C CB . ASP B 1 211 ? -32.073 -0.621 -53.629 1.00 161.12 ? 211 ASP D CB 1 ATOM 716 C CG . ASP B 1 211 ? -32.658 -1.600 -54.630 1.00 166.41 ? 211 ASP D CG 1 ATOM 717 O OD1 . ASP B 1 211 ? -31.897 -2.433 -55.165 1.00 169.64 ? 211 ASP D OD1 1 ATOM 718 O OD2 . ASP B 1 211 ? -33.881 -1.538 -54.879 1.00 163.61 ? 211 ASP D OD2 1 ATOM 719 N N . LEU C 1 123 ? -27.544 44.135 -30.204 1.00 109.53 ? 123 LEU A N 1 ATOM 720 C CA . LEU C 1 123 ? -27.241 45.080 -29.134 1.00 105.11 ? 123 LEU A CA 1 ATOM 721 C C . LEU C 1 123 ? -28.519 45.658 -28.528 1.00 111.20 ? 123 LEU A C 1 ATOM 722 O O . LEU C 1 123 ? -29.331 46.261 -29.230 1.00 96.79 ? 123 LEU A O 1 ATOM 723 C CB . LEU C 1 123 ? -26.335 46.200 -29.656 1.00 94.11 ? 123 LEU A CB 1 ATOM 724 C CG . LEU C 1 123 ? -26.624 46.764 -31.051 1.00 84.37 ? 123 LEU A CG 1 ATOM 725 C CD1 . LEU C 1 123 ? -27.725 47.824 -31.032 1.00 87.11 ? 123 LEU A CD1 1 ATOM 726 C CD2 . LEU C 1 123 ? -25.366 47.320 -31.665 1.00 60.56 ? 123 LEU A CD2 1 ATOM 727 N N . SER C 1 124 ? -28.692 45.468 -27.221 1.00 126.10 ? 124 SER A N 1 ATOM 728 C CA . SER C 1 124 ? -29.920 45.877 -26.538 1.00 115.08 ? 124 SER A CA 1 ATOM 729 C C . SER C 1 124 ? -29.928 47.351 -26.105 1.00 112.56 ? 124 SER A C 1 ATOM 730 O O . SER C 1 124 ? -30.976 47.996 -26.141 1.00 100.47 ? 124 SER A O 1 ATOM 731 C CB . SER C 1 124 ? -30.176 44.973 -25.327 1.00 114.06 ? 124 SER A CB 1 ATOM 732 O OG . SER C 1 124 ? -28.998 44.767 -24.568 1.00 129.13 ? 124 SER A OG 1 ATOM 733 N N . PRO C 1 125 ? -28.771 47.887 -25.676 1.00 115.17 ? 125 PRO A N 1 ATOM 734 C CA . PRO C 1 125 ? -28.683 49.330 -25.445 1.00 103.59 ? 125 PRO A CA 1 ATOM 735 C C . PRO C 1 125 ? -27.879 50.019 -26.549 1.00 98.02 ? 125 PRO A C 1 ATOM 736 O O . PRO C 1 125 ? -27.546 51.201 -26.439 1.00 97.80 ? 125 PRO A O 1 ATOM 737 C CB . PRO C 1 125 ? -27.960 49.415 -24.098 1.00 93.06 ? 125 PRO A CB 1 ATOM 738 C CG . PRO C 1 125 ? -27.158 48.103 -24.000 1.00 101.72 ? 125 PRO A CG 1 ATOM 739 C CD . PRO C 1 125 ? -27.578 47.204 -25.151 1.00 108.67 ? 125 PRO A CD 1 ATOM 740 N N . ILE C 1 126 ? -27.607 49.265 -27.612 1.00 83.96 ? 126 ILE A N 1 ATOM 741 C CA . ILE C 1 126 ? -26.656 49.632 -28.665 1.00 81.98 ? 126 ILE A CA 1 ATOM 742 C C . ILE C 1 126 ? -25.228 49.518 -28.150 1.00 60.78 ? 126 ILE A C 1 ATOM 743 O O . ILE C 1 126 ? -24.712 50.401 -27.473 1.00 49.51 ? 126 ILE A O 1 ATOM 744 C CB . ILE C 1 126 ? -26.879 51.042 -29.222 1.00 67.98 ? 126 ILE A CB 1 ATOM 745 C CG1 . ILE C 1 126 ? -28.316 51.192 -29.719 1.00 80.82 ? 126 ILE A CG1 1 ATOM 746 C CG2 . ILE C 1 126 ? -25.899 51.303 -30.366 1.00 67.63 ? 126 ILE A CG2 1 ATOM 747 C CD1 . ILE C 1 126 ? -28.574 52.483 -30.457 1.00 60.68 ? 126 ILE A CD1 1 ATOM 748 N N . ASN C 1 127 ? -24.600 48.403 -28.479 1.00 55.35 ? 127 ASN A N 1 ATOM 749 C CA . ASN C 1 127 ? -23.264 48.120 -28.010 1.00 54.30 ? 127 ASN A CA 1 ATOM 750 C C . ASN C 1 127 ? -22.217 48.310 -29.104 1.00 60.26 ? 127 ASN A C 1 ATOM 751 O O . ASN C 1 127 ? -21.018 48.198 -28.854 1.00 53.41 ? 127 ASN A O 1 ATOM 752 C CB . ASN C 1 127 ? -23.203 46.695 -27.466 1.00 65.73 ? 127 ASN A CB 1 ATOM 753 C CG . ASN C 1 127 ? -24.036 46.517 -26.216 1.00 79.77 ? 127 ASN A CG 1 ATOM 754 O OD1 . ASN C 1 127 ? -24.134 47.423 -25.388 1.00 85.94 ? 127 ASN A OD1 1 ATOM 755 N ND2 . ASN C 1 127 ? -24.643 45.346 -26.072 1.00 92.22 ? 127 ASN A ND2 1 ATOM 756 N N . ASP C 1 128 ? -22.672 48.612 -30.314 1.00 39.56 ? 128 ASP A N 1 ATOM 757 C CA . ASP C 1 128 ? -21.749 48.712 -31.440 1.00 36.81 ? 128 ASP A CA 1 ATOM 758 C C . ASP C 1 128 ? -21.060 50.071 -31.483 1.00 42.62 ? 128 ASP A C 1 ATOM 759 O O . ASP C 1 128 ? -21.712 51.111 -31.645 1.00 42.88 ? 128 ASP A O 1 ATOM 760 C CB . ASP C 1 128 ? -22.459 48.446 -32.752 1.00 36.71 ? 128 ASP A CB 1 ATOM 761 C CG . ASP C 1 128 ? -21.482 48.410 -33.938 1.00 54.36 ? 128 ASP A CG 1 ATOM 762 O OD1 . ASP C 1 128 ? -21.224 49.481 -34.531 1.00 48.54 ? 128 ASP A OD1 1 ATOM 763 O OD2 . ASP C 1 128 ? -20.965 47.320 -34.254 1.00 58.54 ? 128 ASP A OD2 1 ATOM 764 N N . PRO C 1 129 ? -19.726 50.060 -31.344 1.00 36.12 ? 129 PRO A N 1 ATOM 765 C CA . PRO C 1 129 ? -18.926 51.291 -31.320 1.00 36.98 ? 129 PRO A CA 1 ATOM 766 C C . PRO C 1 129 ? -19.040 52.124 -32.602 1.00 30.23 ? 129 PRO A C 1 ATOM 767 O O . PRO C 1 129 ? -19.044 53.352 -32.503 1.00 33.76 ? 129 PRO A O 1 ATOM 768 C CB . PRO C 1 129 ? -17.486 50.783 -31.102 1.00 37.18 ? 129 PRO A CB 1 ATOM 769 C CG . PRO C 1 129 ? -17.494 49.346 -31.554 1.00 32.20 ? 129 PRO A CG 1 ATOM 770 C CD . PRO C 1 129 ? -18.900 48.837 -31.269 1.00 27.67 ? 129 PRO A CD 1 ATOM 771 N N . LEU C 1 130 ? -19.161 51.501 -33.774 1.00 37.47 ? 130 LEU A N 1 ATOM 772 C CA . LEU C 1 130 ? -19.335 52.291 -35.008 1.00 35.77 ? 130 LEU A CA 1 ATOM 773 C C . LEU C 1 130 ? -20.679 53.051 -34.981 1.00 40.30 ? 130 LEU A C 1 ATOM 774 O O . LEU C 1 130 ? -20.734 54.267 -35.210 1.00 35.31 ? 130 LEU A O 1 ATOM 775 C CB . LEU C 1 130 ? -19.232 51.391 -36.255 1.00 31.80 ? 130 LEU A CB 1 ATOM 776 C CG . LEU C 1 130 ? -19.387 52.127 -37.590 1.00 43.61 ? 130 LEU A CG 1 ATOM 777 C CD1 . LEU C 1 130 ? -18.466 53.334 -37.690 1.00 32.86 ? 130 LEU A CD1 1 ATOM 778 C CD2 . LEU C 1 130 ? -19.166 51.189 -38.777 1.00 46.62 ? 130 LEU A CD2 1 ATOM 779 N N . LEU C 1 131 ? -21.757 52.341 -34.661 1.00 33.61 ? 131 LEU A N 1 ATOM 780 C CA . LEU C 1 131 ? -23.078 52.970 -34.505 1.00 37.55 ? 131 LEU A CA 1 ATOM 781 C C . LEU C 1 131 ? -23.063 54.139 -33.525 1.00 38.51 ? 131 LEU A C 1 ATOM 782 O O . LEU C 1 131 ? -23.513 55.245 -33.848 1.00 33.85 ? 131 LEU A O 1 ATOM 783 C CB . LEU C 1 131 ? -24.106 51.925 -34.058 1.00 47.17 ? 131 LEU A CB 1 ATOM 784 C CG . LEU C 1 131 ? -25.573 52.355 -34.017 1.00 50.54 ? 131 LEU A CG 1 ATOM 785 C CD1 . LEU C 1 131 ? -25.971 53.090 -35.293 1.00 37.48 ? 131 LEU A CD1 1 ATOM 786 C CD2 . LEU C 1 131 ? -26.463 51.150 -33.801 1.00 51.52 ? 131 LEU A CD2 1 ATOM 787 N N . MET C 1 132 ? -22.513 53.907 -32.335 1.00 31.29 ? 132 MET A N 1 ATOM 788 C CA . MET C 1 132 ? -22.507 54.945 -31.313 1.00 36.05 ? 132 MET A CA 1 ATOM 789 C C . MET C 1 132 ? -21.665 56.130 -31.770 1.00 32.92 ? 132 MET A C 1 ATOM 790 O O . MET C 1 132 ? -21.983 57.293 -31.498 1.00 41.80 ? 132 MET A O 1 ATOM 791 C CB . MET C 1 132 ? -21.993 54.378 -29.988 1.00 35.82 ? 132 MET A CB 1 ATOM 792 C CG . MET C 1 132 ? -22.386 55.199 -28.740 1.00 79.46 ? 132 MET A CG 1 ATOM 793 S SD . MET C 1 132 ? -24.158 55.540 -28.537 1.00 68.00 ? 132 MET A SD 1 ATOM 794 C CE . MET C 1 132 ? -24.848 54.052 -29.219 1.00 34.16 ? 132 MET A CE 1 ATOM 795 N N . SER C 1 133 ? -20.593 55.839 -32.493 1.00 27.76 ? 133 SER A N 1 ATOM 796 C CA . SER C 1 133 ? -19.767 56.908 -33.038 1.00 31.88 ? 133 SER A CA 1 ATOM 797 C C . SER C 1 133 ? -20.553 57.765 -34.036 1.00 37.51 ? 133 SER A C 1 ATOM 798 O O . SER C 1 133 ? -20.491 58.991 -34.017 1.00 35.92 ? 133 SER A O 1 ATOM 799 C CB . SER C 1 133 ? -18.526 56.326 -33.710 1.00 32.67 ? 133 SER A CB 1 ATOM 800 O OG . SER C 1 133 ? -17.763 57.377 -34.235 1.00 41.30 ? 133 SER A OG 1 ATOM 801 N N . ILE C 1 134 ? -21.302 57.109 -34.911 1.00 32.94 ? 134 ILE A N 1 ATOM 802 C CA . ILE C 1 134 ? -22.157 57.825 -35.858 1.00 34.08 ? 134 ILE A CA 1 ATOM 803 C C . ILE C 1 134 ? -23.227 58.655 -35.137 1.00 33.03 ? 134 ILE A C 1 ATOM 804 O O . ILE C 1 134 ? -23.430 59.823 -35.472 1.00 39.59 ? 134 ILE A O 1 ATOM 805 C CB . ILE C 1 134 ? -22.807 56.837 -36.849 1.00 41.92 ? 134 ILE A CB 1 ATOM 806 C CG1 . ILE C 1 134 ? -21.743 56.295 -37.814 1.00 33.57 ? 134 ILE A CG1 1 ATOM 807 C CG2 . ILE C 1 134 ? -23.920 57.489 -37.619 1.00 37.09 ? 134 ILE A CG2 1 ATOM 808 C CD1 . ILE C 1 134 ? -22.153 54.978 -38.486 1.00 41.17 ? 134 ILE A CD1 1 ATOM 809 N N . LEU C 1 135 ? -23.881 58.087 -34.121 1.00 35.45 ? 135 LEU A N 1 ATOM 810 C CA . LEU C 1 135 ? -24.889 58.845 -33.361 1.00 34.47 ? 135 LEU A CA 1 ATOM 811 C C . LEU C 1 135 ? -24.309 60.023 -32.580 1.00 36.05 ? 135 LEU A C 1 ATOM 812 O O . LEU C 1 135 ? -24.871 61.119 -32.594 1.00 35.24 ? 135 LEU A O 1 ATOM 813 C CB . LEU C 1 135 ? -25.624 57.920 -32.399 1.00 37.52 ? 135 LEU A CB 1 ATOM 814 C CG . LEU C 1 135 ? -26.431 56.850 -33.137 1.00 46.99 ? 135 LEU A CG 1 ATOM 815 C CD1 . LEU C 1 135 ? -26.602 55.633 -32.264 1.00 41.03 ? 135 LEU A CD1 1 ATOM 816 C CD2 . LEU C 1 135 ? -27.777 57.396 -33.570 1.00 50.82 ? 135 LEU A CD2 1 ATOM 817 N N . ASN C 1 136 ? -23.187 59.802 -31.901 1.00 33.32 ? 136 ASN A N 1 ATOM 818 C CA . ASN C 1 136 ? -22.535 60.858 -31.129 1.00 33.34 ? 136 ASN A CA 1 ATOM 819 C C . ASN C 1 136 ? -22.092 62.014 -32.000 1.00 31.60 ? 136 ASN A C 1 ATOM 820 O O . ASN C 1 136 ? -22.223 63.177 -31.618 1.00 36.49 ? 136 ASN A O 1 ATOM 821 C CB . ASN C 1 136 ? -21.326 60.290 -30.349 1.00 31.63 ? 136 ASN A CB 1 ATOM 822 C CG . ASN C 1 136 ? -21.752 59.425 -29.158 1.00 35.32 ? 136 ASN A CG 1 ATOM 823 O OD1 . ASN C 1 136 ? -22.884 59.507 -28.703 1.00 43.30 ? 136 ASN A OD1 1 ATOM 824 N ND2 . ASN C 1 136 ? -20.846 58.586 -28.665 1.00 44.05 ? 136 ASN A ND2 1 ATOM 825 N N . ARG C 1 137 ? -21.560 61.719 -33.188 1.00 31.77 ? 137 ARG A N 1 ATOM 826 C CA A ARG C 1 137 ? -21.103 62.778 -34.069 0.56 39.38 ? 137 ARG A CA 1 ATOM 827 C CA B ARG C 1 137 ? -21.104 62.795 -34.059 0.44 39.30 ? 137 ARG A CA 1 ATOM 828 C C . ARG C 1 137 ? -22.296 63.632 -34.518 1.00 34.94 ? 137 ARG A C 1 ATOM 829 O O . ARG C 1 137 ? -22.224 64.866 -34.541 1.00 37.67 ? 137 ARG A O 1 ATOM 830 C CB A ARG C 1 137 ? -20.357 62.185 -35.274 0.56 36.91 ? 137 ARG A CB 1 ATOM 831 C CB B ARG C 1 137 ? -20.325 62.262 -35.274 0.44 36.90 ? 137 ARG A CB 1 ATOM 832 C CG A ARG C 1 137 ? -19.580 63.199 -36.083 0.56 34.51 ? 137 ARG A CG 1 ATOM 833 C CG B ARG C 1 137 ? -19.737 63.386 -36.130 0.44 34.15 ? 137 ARG A CG 1 ATOM 834 C CD A ARG C 1 137 ? -18.707 62.518 -37.138 0.56 40.33 ? 137 ARG A CD 1 ATOM 835 C CD B ARG C 1 137 ? -18.801 62.895 -37.237 0.44 39.97 ? 137 ARG A CD 1 ATOM 836 N NE A ARG C 1 137 ? -19.233 62.650 -38.495 0.56 38.70 ? 137 ARG A NE 1 ATOM 837 N NE B ARG C 1 137 ? -19.485 62.649 -38.506 0.44 37.90 ? 137 ARG A NE 1 ATOM 838 C CZ A ARG C 1 137 ? -19.812 61.670 -39.185 0.56 37.55 ? 137 ARG A CZ 1 ATOM 839 C CZ B ARG C 1 137 ? -19.825 63.594 -39.379 0.44 38.79 ? 137 ARG A CZ 1 ATOM 840 N NH1 A ARG C 1 137 ? -19.953 60.457 -38.661 0.56 32.34 ? 137 ARG A NH1 1 ATOM 841 N NH1 B ARG C 1 137 ? -19.568 64.874 -39.133 0.44 28.10 ? 137 ARG A NH1 1 ATOM 842 N NH2 A ARG C 1 137 ? -20.245 61.904 -40.409 0.56 30.53 ? 137 ARG A NH2 1 ATOM 843 N NH2 B ARG C 1 137 ? -20.439 63.256 -40.501 0.44 35.80 ? 137 ARG A NH2 1 ATOM 844 N N . LEU C 1 138 ? -23.404 62.980 -34.868 1.00 39.36 ? 138 LEU A N 1 ATOM 845 C CA . LEU C 1 138 ? -24.594 63.734 -35.295 1.00 35.65 ? 138 LEU A CA 1 ATOM 846 C C . LEU C 1 138 ? -25.076 64.620 -34.143 1.00 37.80 ? 138 LEU A C 1 ATOM 847 O O . LEU C 1 138 ? -25.338 65.818 -34.311 1.00 36.91 ? 138 LEU A O 1 ATOM 848 C CB . LEU C 1 138 ? -25.712 62.796 -35.755 1.00 31.33 ? 138 LEU A CB 1 ATOM 849 C CG . LEU C 1 138 ? -27.029 63.518 -36.087 1.00 32.98 ? 138 LEU A CG 1 ATOM 850 C CD1 . LEU C 1 138 ? -26.953 64.167 -37.470 1.00 33.72 ? 138 LEU A CD1 1 ATOM 851 C CD2 . LEU C 1 138 ? -28.206 62.577 -36.015 1.00 38.40 ? 138 LEU A CD2 1 ATOM 852 N N . GLN C 1 139 ? -25.159 64.034 -32.958 1.00 33.33 ? 139 GLN A N 1 ATOM 853 C CA . GLN C 1 139 ? -25.569 64.793 -31.779 1.00 36.61 ? 139 GLN A CA 1 ATOM 854 C C . GLN C 1 139 ? -24.677 66.000 -31.560 1.00 43.83 ? 139 GLN A C 1 ATOM 855 O O . GLN C 1 139 ? -25.154 67.117 -31.349 1.00 37.58 ? 139 GLN A O 1 ATOM 856 C CB . GLN C 1 139 ? -25.534 63.906 -30.547 1.00 34.20 ? 139 GLN A CB 1 ATOM 857 C CG . GLN C 1 139 ? -26.176 64.520 -29.328 1.00 43.80 ? 139 GLN A CG 1 ATOM 858 C CD . GLN C 1 139 ? -26.347 63.494 -28.229 1.00 57.07 ? 139 GLN A CD 1 ATOM 859 O OE1 . GLN C 1 139 ? -27.300 62.715 -28.238 1.00 58.77 ? 139 GLN A OE1 1 ATOM 860 N NE2 . GLN C 1 139 ? -25.406 63.468 -27.292 1.00 47.66 ? 139 GLN A NE2 1 ATOM 861 N N . PHE C 1 140 ? -23.370 65.768 -31.633 1.00 38.02 ? 140 PHE A N 1 ATOM 862 C CA . PHE C 1 140 ? -22.392 66.830 -31.454 1.00 39.00 ? 140 PHE A CA 1 ATOM 863 C C . PHE C 1 140 ? -22.536 67.916 -32.519 1.00 41.15 ? 140 PHE A C 1 ATOM 864 O O . PHE C 1 140 ? -22.587 69.096 -32.194 1.00 48.66 ? 140 PHE A O 1 ATOM 865 C CB . PHE C 1 140 ? -20.976 66.250 -31.474 1.00 44.60 ? 140 PHE A CB 1 ATOM 866 C CG . PHE C 1 140 ? -19.917 67.238 -31.108 1.00 46.20 ? 140 PHE A CG 1 ATOM 867 C CD1 . PHE C 1 140 ? -19.677 67.556 -29.782 1.00 53.43 ? 140 PHE A CD1 1 ATOM 868 C CD2 . PHE C 1 140 ? -19.159 67.850 -32.084 1.00 45.74 ? 140 PHE A CD2 1 ATOM 869 C CE1 . PHE C 1 140 ? -18.701 68.469 -29.439 1.00 45.44 ? 140 PHE A CE1 1 ATOM 870 C CE2 . PHE C 1 140 ? -18.183 68.763 -31.753 1.00 44.64 ? 140 PHE A CE2 1 ATOM 871 C CZ . PHE C 1 140 ? -17.946 69.069 -30.429 1.00 44.83 ? 140 PHE A CZ 1 ATOM 872 N N . ASN C 1 141 ? -22.612 67.525 -33.789 1.00 38.56 ? 141 ASN A N 1 ATOM 873 C CA . ASN C 1 141 ? -22.777 68.504 -34.858 1.00 37.88 ? 141 ASN A CA 1 ATOM 874 C C . ASN C 1 141 ? -24.087 69.301 -34.760 1.00 48.96 ? 141 ASN A C 1 ATOM 875 O O . ASN C 1 141 ? -24.104 70.514 -34.996 1.00 43.62 ? 141 ASN A O 1 ATOM 876 C CB . ASN C 1 141 ? -22.708 67.824 -36.234 1.00 37.87 ? 141 ASN A CB 1 ATOM 877 C CG . ASN C 1 141 ? -21.388 67.082 -36.478 1.00 51.72 ? 141 ASN A CG 1 ATOM 878 O OD1 . ASN C 1 141 ? -21.349 66.099 -37.220 1.00 43.21 ? 141 ASN A OD1 1 ATOM 879 N ND2 . ASN C 1 141 ? -20.316 67.546 -35.862 1.00 44.22 ? 141 ASN A ND2 1 ATOM 880 N N . LEU C 1 142 ? -25.190 68.630 -34.434 1.00 37.32 ? 142 LEU A N 1 ATOM 881 C CA . LEU C 1 142 ? -26.476 69.329 -34.370 1.00 51.79 ? 142 LEU A CA 1 ATOM 882 C C . LEU C 1 142 ? -26.521 70.287 -33.188 1.00 52.04 ? 142 LEU A C 1 ATOM 883 O O . LEU C 1 142 ? -26.974 71.420 -33.321 1.00 51.38 ? 142 LEU A O 1 ATOM 884 C CB . LEU C 1 142 ? -27.641 68.339 -34.292 1.00 38.45 ? 142 LEU A CB 1 ATOM 885 C CG . LEU C 1 142 ? -27.829 67.593 -35.614 1.00 53.87 ? 142 LEU A CG 1 ATOM 886 C CD1 . LEU C 1 142 ? -29.056 66.718 -35.616 1.00 61.15 ? 142 LEU A CD1 1 ATOM 887 C CD2 . LEU C 1 142 ? -27.886 68.578 -36.751 1.00 39.15 ? 142 LEU A CD2 1 ATOM 888 N N . ASN C 1 143 ? -26.035 69.842 -32.037 1.00 39.35 ? 143 ASN A N 1 ATOM 889 C CA . ASN C 1 143 ? -26.053 70.698 -30.861 1.00 57.00 ? 143 ASN A CA 1 ATOM 890 C C . ASN C 1 143 ? -25.203 71.945 -31.052 1.00 65.55 ? 143 ASN A C 1 ATOM 891 O O . ASN C 1 143 ? -25.495 72.990 -30.476 1.00 74.59 ? 143 ASN A O 1 ATOM 892 C CB . ASN C 1 143 ? -25.605 69.916 -29.629 1.00 41.91 ? 143 ASN A CB 1 ATOM 893 C CG . ASN C 1 143 ? -26.686 68.985 -29.129 1.00 52.38 ? 143 ASN A CG 1 ATOM 894 O OD1 . ASN C 1 143 ? -27.826 69.057 -29.586 1.00 52.28 ? 143 ASN A OD1 1 ATOM 895 N ND2 . ASN C 1 143 ? -26.343 68.109 -28.194 1.00 45.87 ? 143 ASN A ND2 1 ATOM 896 N N . ASN C 1 144 ? -24.171 71.847 -31.885 1.00 62.45 ? 144 ASN A N 1 ATOM 897 C CA . ASN C 1 144 ? -23.370 73.022 -32.216 1.00 68.70 ? 144 ASN A CA 1 ATOM 898 C C . ASN C 1 144 ? -24.064 73.968 -33.205 1.00 65.56 ? 144 ASN A C 1 ATOM 899 O O . ASN C 1 144 ? -24.050 75.183 -33.005 1.00 74.92 ? 144 ASN A O 1 ATOM 900 C CB . ASN C 1 144 ? -22.007 72.599 -32.758 1.00 55.31 ? 144 ASN A CB 1 ATOM 901 C CG . ASN C 1 144 ? -21.089 72.099 -31.667 1.00 66.69 ? 144 ASN A CG 1 ATOM 902 O OD1 . ASN C 1 144 ? -21.287 72.406 -30.490 1.00 59.55 ? 144 ASN A OD1 1 ATOM 903 N ND2 . ASN C 1 144 ? -20.079 71.320 -32.047 1.00 70.17 ? 144 ASN A ND2 1 ATOM 904 N N . ASP C 1 145 ? -24.671 73.420 -34.258 1.00 67.53 ? 145 ASP A N 1 ATOM 905 C CA . ASP C 1 145 ? -25.386 74.248 -35.236 1.00 83.69 ? 145 ASP A CA 1 ATOM 906 C C . ASP C 1 145 ? -26.516 75.032 -34.579 1.00 71.12 ? 145 ASP A C 1 ATOM 907 O O . ASP C 1 145 ? -26.752 76.194 -34.914 1.00 74.59 ? 145 ASP A O 1 ATOM 908 C CB . ASP C 1 145 ? -25.957 73.400 -36.380 1.00 69.54 ? 145 ASP A CB 1 ATOM 909 C CG . ASP C 1 145 ? -24.882 72.826 -37.277 1.00 72.92 ? 145 ASP A CG 1 ATOM 910 O OD1 . ASP C 1 145 ? -23.735 73.326 -37.238 1.00 75.60 ? 145 ASP A OD1 1 ATOM 911 O OD2 . ASP C 1 145 ? -25.189 71.874 -38.026 1.00 61.05 ? 145 ASP A OD2 1 ATOM 912 N N . ILE C 1 146 ? -27.211 74.389 -33.645 1.00 66.66 ? 146 ILE A N 1 ATOM 913 C CA . ILE C 1 146 ? -28.324 75.023 -32.943 1.00 79.00 ? 146 ILE A CA 1 ATOM 914 C C . ILE C 1 146 ? -27.822 76.168 -32.070 1.00 94.06 ? 146 ILE A C 1 ATOM 915 O O . ILE C 1 146 ? -28.443 77.230 -32.001 1.00 95.90 ? 146 ILE A O 1 ATOM 916 C CB . ILE C 1 146 ? -29.093 74.012 -32.068 1.00 68.83 ? 146 ILE A CB 1 ATOM 917 C CG1 . ILE C 1 146 ? -29.758 72.942 -32.936 1.00 64.59 ? 146 ILE A CG1 1 ATOM 918 C CG2 . ILE C 1 146 ? -30.117 74.719 -31.202 1.00 71.64 ? 146 ILE A CG2 1 ATOM 919 C CD1 . ILE C 1 146 ? -30.259 71.744 -32.140 1.00 66.79 ? 146 ILE A CD1 1 ATOM 920 N N . GLN C 1 147 ? -26.687 75.948 -31.414 1.00 81.48 ? 147 GLN A N 1 ATOM 921 C CA . GLN C 1 147 ? -26.099 76.954 -30.540 1.00 88.89 ? 147 GLN A CA 1 ATOM 922 C C . GLN C 1 147 ? -25.341 78.005 -31.350 1.00 86.18 ? 147 GLN A C 1 ATOM 923 O O . GLN C 1 147 ? -24.739 78.918 -30.790 1.00 102.45 ? 147 GLN A O 1 ATOM 924 C CB . GLN C 1 147 ? -25.190 76.287 -29.501 1.00 77.66 ? 147 GLN A CB 1 ATOM 925 C CG . GLN C 1 147 ? -25.966 75.393 -28.524 1.00 100.76 ? 147 GLN A CG 1 ATOM 926 C CD . GLN C 1 147 ? -25.076 74.499 -27.671 1.00 117.99 ? 147 GLN A CD 1 ATOM 927 O OE1 . GLN C 1 147 ? -23.849 74.552 -27.759 1.00 120.02 ? 147 GLN A OE1 1 ATOM 928 N NE2 . GLN C 1 147 ? -25.700 73.666 -26.839 1.00 102.41 ? 147 GLN A NE2 1 ATOM 929 N N . LEU C 1 148 ? -25.386 77.868 -32.673 1.00 97.24 ? 148 LEU A N 1 ATOM 930 C CA . LEU C 1 148 ? -24.865 78.887 -33.581 1.00 97.60 ? 148 LEU A CA 1 ATOM 931 C C . LEU C 1 148 ? -26.012 79.632 -34.256 1.00 98.39 ? 148 LEU A C 1 ATOM 932 O O . LEU C 1 148 ? -25.804 80.633 -34.941 1.00 101.70 ? 148 LEU A O 1 ATOM 933 C CB . LEU C 1 148 ? -23.956 78.264 -34.643 1.00 94.62 ? 148 LEU A CB 1 ATOM 934 C CG . LEU C 1 148 ? -22.591 77.733 -34.209 1.00 96.59 ? 148 LEU A CG 1 ATOM 935 C CD1 . LEU C 1 148 ? -21.930 77.003 -35.364 1.00 95.13 ? 148 LEU A CD1 1 ATOM 936 C CD2 . LEU C 1 148 ? -21.699 78.857 -33.702 1.00 99.85 ? 148 LEU A CD2 1 ATOM 937 N N . LYS C 1 149 ? -27.225 79.132 -34.060 1.00 110.12 ? 149 LYS A N 1 ATOM 938 C CA . LYS C 1 149 ? -28.406 79.729 -34.668 1.00 106.22 ? 149 LYS A CA 1 ATOM 939 C C . LYS C 1 149 ? -29.120 80.646 -33.678 1.00 111.44 ? 149 LYS A C 1 ATOM 940 O O . LYS C 1 149 ? -29.881 81.528 -34.076 1.00 112.49 ? 149 LYS A O 1 ATOM 941 C CB . LYS C 1 149 ? -29.352 78.637 -35.166 1.00 92.27 ? 149 LYS A CB 1 ATOM 942 C CG . LYS C 1 149 ? -30.425 79.123 -36.116 1.00 97.65 ? 149 LYS A CG 1 ATOM 943 C CD . LYS C 1 149 ? -31.188 77.951 -36.711 1.00 93.39 ? 149 LYS A CD 1 ATOM 944 C CE . LYS C 1 149 ? -32.144 78.407 -37.805 1.00 105.90 ? 149 LYS A CE 1 ATOM 945 N NZ . LYS C 1 149 ? -32.733 77.255 -38.548 1.00 96.60 ? 149 LYS A NZ 1 ATOM 946 N N . THR C 1 150 ? -28.865 80.432 -32.389 1.00 103.04 ? 150 THR A N 1 ATOM 947 C CA . THR C 1 150 ? -29.448 81.261 -31.337 1.00 118.40 ? 150 THR A CA 1 ATOM 948 C C . THR C 1 150 ? -28.553 82.457 -31.022 1.00 126.24 ? 150 THR A C 1 ATOM 949 O O . THR C 1 150 ? -28.883 83.286 -30.172 1.00 137.09 ? 150 THR A O 1 ATOM 950 C CB . THR C 1 150 ? -29.684 80.458 -30.037 1.00 119.70 ? 150 THR A CB 1 ATOM 951 O OG1 . THR C 1 150 ? -28.427 80.032 -29.494 1.00 112.48 ? 150 THR A OG1 1 ATOM 952 C CG2 . THR C 1 150 ? -30.558 79.242 -30.303 1.00 96.93 ? 150 THR A CG2 1 ATOM 953 N N . GLU C 1 151 ? -27.419 82.538 -31.710 1.00 123.22 ? 151 GLU A N 1 ATOM 954 C CA . GLU C 1 151 ? -26.474 83.630 -31.510 1.00 125.44 ? 151 GLU A CA 1 ATOM 955 C C . GLU C 1 151 ? -26.354 84.490 -32.764 1.00 121.92 ? 151 GLU A C 1 ATOM 956 O O . GLU C 1 151 ? -26.653 84.038 -33.871 1.00 107.79 ? 151 GLU A O 1 ATOM 957 C CB . GLU C 1 151 ? -25.101 83.083 -31.112 1.00 121.28 ? 151 GLU A CB 1 ATOM 958 C CG . GLU C 1 151 ? -25.099 82.302 -29.806 1.00 127.99 ? 151 GLU A CG 1 ATOM 959 C CD . GLU C 1 151 ? -23.764 81.642 -29.525 1.00 120.08 ? 151 GLU A CD 1 ATOM 960 O OE1 . GLU C 1 151 ? -22.898 81.649 -30.425 1.00 118.87 ? 151 GLU A OE1 1 ATOM 961 O OE2 . GLU C 1 151 ? -23.582 81.115 -28.406 1.00 112.16 ? 151 GLU A OE2 1 ATOM 962 N N . ASN D 1 155 ? -30.347 84.202 -41.340 1.00 140.90 ? 155 ASN B N 1 ATOM 963 C CA . ASN D 1 155 ? -29.768 82.933 -41.766 1.00 137.66 ? 155 ASN B CA 1 ATOM 964 C C . ASN D 1 155 ? -30.493 81.739 -41.155 1.00 130.49 ? 155 ASN B C 1 ATOM 965 O O . ASN D 1 155 ? -29.917 80.659 -41.017 1.00 123.77 ? 155 ASN B O 1 ATOM 966 C CB . ASN D 1 155 ? -28.279 82.877 -41.410 1.00 141.98 ? 155 ASN B CB 1 ATOM 967 C CG . ASN D 1 155 ? -27.382 82.899 -42.638 1.00 141.21 ? 155 ASN B CG 1 ATOM 968 O OD1 . ASN D 1 155 ? -27.854 83.076 -43.761 1.00 151.53 ? 155 ASN B OD1 1 ATOM 969 N ND2 . ASN D 1 155 ? -26.081 82.723 -42.428 1.00 124.21 ? 155 ASN B ND2 1 ATOM 970 N N . SER D 1 156 ? -31.755 81.940 -40.787 1.00 138.39 ? 156 SER B N 1 ATOM 971 C CA . SER D 1 156 ? -32.581 80.857 -40.264 1.00 128.63 ? 156 SER B CA 1 ATOM 972 C C . SER D 1 156 ? -32.937 79.882 -41.378 1.00 119.28 ? 156 SER B C 1 ATOM 973 O O . SER D 1 156 ? -33.314 78.739 -41.121 1.00 123.05 ? 156 SER B O 1 ATOM 974 C CB . SER D 1 156 ? -33.854 81.405 -39.612 1.00 122.50 ? 156 SER B CB 1 ATOM 975 O OG . SER D 1 156 ? -33.560 82.089 -38.407 1.00 116.26 ? 156 SER B OG 1 ATOM 976 N N . LYS D 1 157 ? -32.811 80.342 -42.618 1.00 125.70 ? 157 LYS B N 1 ATOM 977 C CA . LYS D 1 157 ? -33.089 79.506 -43.778 1.00 119.54 ? 157 LYS B CA 1 ATOM 978 C C . LYS D 1 157 ? -31.809 78.842 -44.285 1.00 109.73 ? 157 LYS B C 1 ATOM 979 O O . LYS D 1 157 ? -31.846 77.734 -44.820 1.00 99.09 ? 157 LYS B O 1 ATOM 980 C CB . LYS D 1 157 ? -33.744 80.331 -44.889 1.00 126.61 ? 157 LYS B CB 1 ATOM 981 C CG . LYS D 1 157 ? -34.898 81.214 -44.417 1.00 135.84 ? 157 LYS B CG 1 ATOM 982 C CD . LYS D 1 157 ? -35.882 80.443 -43.544 1.00 125.60 ? 157 LYS B CD 1 ATOM 983 C CE . LYS D 1 157 ? -37.155 81.242 -43.303 1.00 118.33 ? 157 LYS B CE 1 ATOM 984 N NZ . LYS D 1 157 ? -38.174 80.457 -42.550 1.00 131.09 ? 157 LYS B NZ 1 ATOM 985 N N . ASN D 1 158 ? -30.680 79.525 -44.113 1.00 119.83 ? 158 ASN B N 1 ATOM 986 C CA . ASN D 1 158 ? -29.377 78.961 -44.461 1.00 111.94 ? 158 ASN B CA 1 ATOM 987 C C . ASN D 1 158 ? -28.980 77.905 -43.435 1.00 87.21 ? 158 ASN B C 1 ATOM 988 O O . ASN D 1 158 ? -28.386 76.882 -43.765 1.00 90.94 ? 158 ASN B O 1 ATOM 989 C CB . ASN D 1 158 ? -28.314 80.061 -44.541 1.00 121.29 ? 158 ASN B CB 1 ATOM 990 C CG . ASN D 1 158 ? -27.074 79.632 -45.315 1.00 130.12 ? 158 ASN B CG 1 ATOM 991 O OD1 . ASN D 1 158 ? -26.644 78.480 -45.242 1.00 122.41 ? 158 ASN B OD1 1 ATOM 992 N ND2 . ASN D 1 158 ? -26.493 80.566 -46.062 1.00 127.88 ? 158 ASN B ND2 1 ATOM 993 N N . SER D 1 159 ? -29.328 78.162 -42.182 1.00 83.16 ? 159 SER B N 1 ATOM 994 C CA . SER D 1 159 ? -29.086 77.213 -41.109 1.00 82.56 ? 159 SER B CA 1 ATOM 995 C C . SER D 1 159 ? -29.896 75.931 -41.305 1.00 78.09 ? 159 SER B C 1 ATOM 996 O O . SER D 1 159 ? -29.398 74.831 -41.078 1.00 73.33 ? 159 SER B O 1 ATOM 997 C CB . SER D 1 159 ? -29.418 77.850 -39.762 1.00 72.59 ? 159 SER B CB 1 ATOM 998 O OG . SER D 1 159 ? -29.294 76.912 -38.712 1.00 93.80 ? 159 SER B OG 1 ATOM 999 N N . GLU D 1 160 ? -31.147 76.072 -41.732 1.00 78.15 ? 160 GLU B N 1 ATOM 1000 C CA . GLU D 1 160 ? -32.003 74.906 -41.915 1.00 81.36 ? 160 GLU B CA 1 ATOM 1001 C C . GLU D 1 160 ? -31.484 73.989 -43.017 1.00 67.82 ? 160 GLU B C 1 ATOM 1002 O O . GLU D 1 160 ? -31.570 72.766 -42.905 1.00 62.19 ? 160 GLU B O 1 ATOM 1003 C CB . GLU D 1 160 ? -33.440 75.320 -42.229 1.00 82.59 ? 160 GLU B CB 1 ATOM 1004 C CG . GLU D 1 160 ? -34.417 74.153 -42.154 1.00 95.96 ? 160 GLU B CG 1 ATOM 1005 C CD . GLU D 1 160 ? -35.846 74.555 -42.455 1.00 104.76 ? 160 GLU B CD 1 ATOM 1006 O OE1 . GLU D 1 160 ? -36.762 74.056 -41.765 1.00 98.12 ? 160 GLU B OE1 1 ATOM 1007 O OE2 . GLU D 1 160 ? -36.052 75.361 -43.385 1.00 105.38 ? 160 GLU B OE2 1 ATOM 1008 N N . MET D 1 161 ? -30.948 74.575 -44.082 1.00 55.64 ? 161 MET B N 1 ATOM 1009 C CA . MET D 1 161 ? -30.399 73.780 -45.168 1.00 59.59 ? 161 MET B CA 1 ATOM 1010 C C . MET D 1 161 ? -29.181 72.980 -44.708 1.00 53.46 ? 161 MET B C 1 ATOM 1011 O O . MET D 1 161 ? -29.052 71.800 -45.023 1.00 54.82 ? 161 MET B O 1 ATOM 1012 C CB . MET D 1 161 ? -30.033 74.671 -46.357 1.00 69.13 ? 161 MET B CB 1 ATOM 1013 C CG . MET D 1 161 ? -31.210 75.477 -46.890 1.00 87.41 ? 161 MET B CG 1 ATOM 1014 S SD . MET D 1 161 ? -31.015 75.974 -48.612 1.00 121.10 ? 161 MET B SD 1 ATOM 1015 C CE . MET D 1 161 ? -30.990 74.375 -49.424 1.00 116.58 ? 161 MET B CE 1 ATOM 1016 N N . LYS D 1 162 ? -28.288 73.620 -43.961 1.00 56.29 ? 162 LYS B N 1 ATOM 1017 C CA . LYS D 1 162 ? -27.111 72.926 -43.459 1.00 61.44 ? 162 LYS B CA 1 ATOM 1018 C C . LYS D 1 162 ? -27.539 71.741 -42.604 1.00 47.04 ? 162 LYS B C 1 ATOM 1019 O O . LYS D 1 162 ? -27.053 70.624 -42.778 1.00 49.26 ? 162 LYS B O 1 ATOM 1020 C CB . LYS D 1 162 ? -26.217 73.872 -42.656 1.00 57.27 ? 162 LYS B CB 1 ATOM 1021 C CG . LYS D 1 162 ? -25.592 74.979 -43.481 1.00 70.68 ? 162 LYS B CG 1 ATOM 1022 C CD . LYS D 1 162 ? -24.532 75.741 -42.693 1.00 88.43 ? 162 LYS B CD 1 ATOM 1023 C CE . LYS D 1 162 ? -23.823 76.757 -43.576 1.00 104.85 ? 162 LYS B CE 1 ATOM 1024 N NZ . LYS D 1 162 ? -22.740 77.477 -42.853 1.00 114.92 ? 162 LYS B NZ 1 ATOM 1025 N N . ILE D 1 163 ? -28.472 71.988 -41.695 1.00 46.95 ? 163 ILE B N 1 ATOM 1026 C CA . ILE D 1 163 ? -28.953 70.945 -40.796 1.00 43.54 ? 163 ILE B CA 1 ATOM 1027 C C . ILE D 1 163 ? -29.490 69.759 -41.584 1.00 41.59 ? 163 ILE B C 1 ATOM 1028 O O . ILE D 1 163 ? -29.228 68.606 -41.243 1.00 48.07 ? 163 ILE B O 1 ATOM 1029 C CB . ILE D 1 163 ? -30.037 71.484 -39.849 1.00 54.25 ? 163 ILE B CB 1 ATOM 1030 C CG1 . ILE D 1 163 ? -29.414 72.472 -38.864 1.00 58.14 ? 163 ILE B CG1 1 ATOM 1031 C CG2 . ILE D 1 163 ? -30.703 70.346 -39.098 1.00 50.42 ? 163 ILE B CG2 1 ATOM 1032 C CD1 . ILE D 1 163 ? -30.324 72.875 -37.725 1.00 66.77 ? 163 ILE B CD1 1 ATOM 1033 N N . ASN D 1 164 ? -30.199 70.048 -42.670 1.00 45.90 ? 164 ASN B N 1 ATOM 1034 C CA . ASN D 1 164 ? -30.837 69.006 -43.472 1.00 48.23 ? 164 ASN B CA 1 ATOM 1035 C C . ASN D 1 164 ? -29.872 68.210 -44.336 1.00 50.52 ? 164 ASN B C 1 ATOM 1036 O O . ASN D 1 164 ? -30.012 66.996 -44.479 1.00 45.87 ? 164 ASN B O 1 ATOM 1037 C CB . ASN D 1 164 ? -31.918 69.619 -44.346 1.00 58.09 ? 164 ASN B CB 1 ATOM 1038 C CG . ASN D 1 164 ? -33.240 69.717 -43.626 1.00 60.84 ? 164 ASN B CG 1 ATOM 1039 O OD1 . ASN D 1 164 ? -33.907 68.701 -43.401 1.00 54.38 ? 164 ASN B OD1 1 ATOM 1040 N ND2 . ASN D 1 164 ? -33.634 70.933 -43.263 1.00 58.24 ? 164 ASN B ND2 1 ATOM 1041 N N . LEU D 1 165 ? -28.897 68.890 -44.918 1.00 46.38 ? 165 LEU B N 1 ATOM 1042 C CA . LEU D 1 165 ? -27.821 68.178 -45.582 1.00 44.24 ? 165 LEU B CA 1 ATOM 1043 C C . LEU D 1 165 ? -27.181 67.209 -44.601 1.00 52.01 ? 165 LEU B C 1 ATOM 1044 O O . LEU D 1 165 ? -26.914 66.055 -44.938 1.00 54.04 ? 165 LEU B O 1 ATOM 1045 C CB . LEU D 1 165 ? -26.772 69.139 -46.125 1.00 55.51 ? 165 LEU B CB 1 ATOM 1046 C CG . LEU D 1 165 ? -25.498 68.419 -46.569 1.00 79.25 ? 165 LEU B CG 1 ATOM 1047 C CD1 . LEU D 1 165 ? -25.796 67.433 -47.706 1.00 53.02 ? 165 LEU B CD1 1 ATOM 1048 C CD2 . LEU D 1 165 ? -24.416 69.420 -46.956 1.00 71.74 ? 165 LEU B CD2 1 ATOM 1049 N N . ARG D 1 166 ? -26.945 67.678 -43.377 1.00 41.85 ? 166 ARG B N 1 ATOM 1050 C CA . ARG D 1 166 ? -26.305 66.831 -42.385 1.00 41.70 ? 166 ARG B CA 1 ATOM 1051 C C . ARG D 1 166 ? -27.190 65.628 -42.048 1.00 46.89 ? 166 ARG B C 1 ATOM 1052 O O . ARG D 1 166 ? -26.683 64.521 -41.887 1.00 47.00 ? 166 ARG B O 1 ATOM 1053 C CB . ARG D 1 166 ? -25.973 67.632 -41.120 1.00 47.69 ? 166 ARG B CB 1 ATOM 1054 C CG . ARG D 1 166 ? -25.352 66.812 -40.006 1.00 43.55 ? 166 ARG B CG 1 ATOM 1055 C CD . ARG D 1 166 ? -23.904 66.442 -40.305 1.00 43.56 ? 166 ARG B CD 1 ATOM 1056 N NE . ARG D 1 166 ? -23.284 65.690 -39.209 1.00 41.71 ? 166 ARG B NE 1 ATOM 1057 C CZ . ARG D 1 166 ? -23.366 64.370 -39.078 1.00 40.82 ? 166 ARG B CZ 1 ATOM 1058 N NH1 . ARG D 1 166 ? -24.042 63.651 -39.965 1.00 34.05 ? 166 ARG B NH1 1 ATOM 1059 N NH2 . ARG D 1 166 ? -22.766 63.768 -38.067 1.00 36.36 ? 166 ARG B NH2 1 ATOM 1060 N N . LEU D 1 167 ? -28.503 65.840 -41.942 1.00 38.99 ? 167 LEU B N 1 ATOM 1061 C CA . LEU D 1 167 ? -29.421 64.740 -41.627 1.00 51.76 ? 167 LEU B CA 1 ATOM 1062 C C . LEU D 1 167 ? -29.526 63.773 -42.807 1.00 44.06 ? 167 LEU B C 1 ATOM 1063 O O . LEU D 1 167 ? -29.608 62.546 -42.630 1.00 43.99 ? 167 LEU B O 1 ATOM 1064 C CB . LEU D 1 167 ? -30.804 65.274 -41.246 1.00 37.77 ? 167 LEU B CB 1 ATOM 1065 C CG . LEU D 1 167 ? -30.885 65.880 -39.839 1.00 44.58 ? 167 LEU B CG 1 ATOM 1066 C CD1 . LEU D 1 167 ? -32.153 66.710 -39.655 1.00 41.99 ? 167 LEU B CD1 1 ATOM 1067 C CD2 . LEU D 1 167 ? -30.820 64.772 -38.816 1.00 35.02 ? 167 LEU B CD2 1 ATOM 1068 N N . GLU D 1 168 ? -29.508 64.326 -44.011 1.00 41.83 ? 168 GLU B N 1 ATOM 1069 C CA . GLU D 1 168 ? -29.516 63.501 -45.211 1.00 53.09 ? 168 GLU B CA 1 ATOM 1070 C C . GLU D 1 168 ? -28.280 62.597 -45.248 1.00 45.99 ? 168 GLU B C 1 ATOM 1071 O O . GLU D 1 168 ? -28.387 61.424 -45.586 1.00 56.24 ? 168 GLU B O 1 ATOM 1072 C CB . GLU D 1 168 ? -29.591 64.370 -46.463 1.00 47.84 ? 168 GLU B CB 1 ATOM 1073 C CG . GLU D 1 168 ? -30.635 63.911 -47.466 1.00 90.83 ? 168 GLU B CG 1 ATOM 1074 C CD . GLU D 1 168 ? -32.056 64.252 -47.045 1.00 82.05 ? 168 GLU B CD 1 ATOM 1075 O OE1 . GLU D 1 168 ? -32.890 63.325 -46.950 1.00 76.83 ? 168 GLU B OE1 1 ATOM 1076 O OE2 . GLU D 1 168 ? -32.346 65.449 -46.831 1.00 85.23 ? 168 GLU B OE2 1 ATOM 1077 N N . GLN D 1 169 ? -27.117 63.125 -44.869 1.00 47.42 ? 169 GLN B N 1 ATOM 1078 C CA . GLN D 1 169 ? -25.926 62.293 -44.741 1.00 42.75 ? 169 GLN B CA 1 ATOM 1079 C C . GLN D 1 169 ? -26.182 61.153 -43.784 1.00 42.97 ? 169 GLN B C 1 ATOM 1080 O O . GLN D 1 169 ? -26.007 59.985 -44.119 1.00 59.96 ? 169 GLN B O 1 ATOM 1081 C CB . GLN D 1 169 ? -24.728 63.096 -44.231 1.00 47.43 ? 169 GLN B CB 1 ATOM 1082 C CG . GLN D 1 169 ? -24.068 63.997 -45.237 1.00 46.63 ? 169 GLN B CG 1 ATOM 1083 C CD . GLN D 1 169 ? -23.007 64.876 -44.595 1.00 60.59 ? 169 GLN B CD 1 ATOM 1084 O OE1 . GLN D 1 169 ? -22.933 64.977 -43.373 1.00 52.95 ? 169 GLN B OE1 1 ATOM 1085 N NE2 . GLN D 1 169 ? -22.180 65.507 -45.413 1.00 58.71 ? 169 GLN B NE2 1 ATOM 1086 N N . PHE D 1 170 ? -26.593 61.515 -42.578 1.00 46.47 ? 170 PHE B N 1 ATOM 1087 C CA . PHE D 1 170 ? -26.812 60.558 -41.505 1.00 39.96 ? 170 PHE B CA 1 ATOM 1088 C C . PHE D 1 170 ? -27.776 59.451 -41.949 1.00 37.73 ? 170 PHE B C 1 ATOM 1089 O O . PHE D 1 170 ? -27.537 58.274 -41.690 1.00 41.48 ? 170 PHE B O 1 ATOM 1090 C CB . PHE D 1 170 ? -27.334 61.293 -40.264 1.00 39.94 ? 170 PHE B CB 1 ATOM 1091 C CG . PHE D 1 170 ? -27.788 60.387 -39.166 1.00 40.05 ? 170 PHE B CG 1 ATOM 1092 C CD1 . PHE D 1 170 ? -26.872 59.825 -38.290 1.00 47.56 ? 170 PHE B CD1 1 ATOM 1093 C CD2 . PHE D 1 170 ? -29.139 60.111 -38.990 1.00 48.67 ? 170 PHE B CD2 1 ATOM 1094 C CE1 . PHE D 1 170 ? -27.286 58.991 -37.263 1.00 50.76 ? 170 PHE B CE1 1 ATOM 1095 C CE2 . PHE D 1 170 ? -29.564 59.273 -37.969 1.00 38.14 ? 170 PHE B CE2 1 ATOM 1096 C CZ . PHE D 1 170 ? -28.634 58.718 -37.099 1.00 45.98 ? 170 PHE B CZ 1 ATOM 1097 N N . LYS D 1 171 ? -28.843 59.818 -42.649 1.00 31.94 ? 171 LYS B N 1 ATOM 1098 C CA . LYS D 1 171 ? -29.800 58.805 -43.087 1.00 49.62 ? 171 LYS B CA 1 ATOM 1099 C C . LYS D 1 171 ? -29.179 57.766 -44.018 1.00 52.16 ? 171 LYS B C 1 ATOM 1100 O O . LYS D 1 171 ? -29.397 56.563 -43.835 1.00 52.06 ? 171 LYS B O 1 ATOM 1101 C CB . LYS D 1 171 ? -31.002 59.466 -43.757 1.00 50.78 ? 171 LYS B CB 1 ATOM 1102 C CG . LYS D 1 171 ? -31.773 60.384 -42.804 1.00 65.63 ? 171 LYS B CG 1 ATOM 1103 C CD . LYS D 1 171 ? -33.157 60.698 -43.317 1.00 43.60 ? 171 LYS B CD 1 ATOM 1104 C CE . LYS D 1 171 ? -33.099 61.166 -44.744 1.00 53.31 ? 171 LYS B CE 1 ATOM 1105 N NZ . LYS D 1 171 ? -34.444 61.502 -45.248 1.00 62.56 ? 171 LYS B NZ 1 ATOM 1106 N N . LYS D 1 172 ? -28.399 58.219 -44.999 1.00 55.96 ? 172 LYS B N 1 ATOM 1107 C CA . LYS D 1 172 ? -27.752 57.305 -45.949 1.00 56.30 ? 172 LYS B CA 1 ATOM 1108 C C . LYS D 1 172 ? -26.733 56.453 -45.216 1.00 44.90 ? 172 LYS B C 1 ATOM 1109 O O . LYS D 1 172 ? -26.585 55.258 -45.461 1.00 51.81 ? 172 LYS B O 1 ATOM 1110 C CB . LYS D 1 172 ? -27.057 58.066 -47.083 1.00 54.06 ? 172 LYS B CB 1 ATOM 1111 C CG . LYS D 1 172 ? -27.887 59.158 -47.751 1.00 76.85 ? 172 LYS B CG 1 ATOM 1112 C CD . LYS D 1 172 ? -28.967 58.599 -48.657 1.00 102.44 ? 172 LYS B CD 1 ATOM 1113 C CE . LYS D 1 172 ? -29.651 59.714 -49.443 1.00 108.86 ? 172 LYS B CE 1 ATOM 1114 N NZ . LYS D 1 172 ? -30.711 59.200 -50.357 1.00 96.51 ? 172 LYS B NZ 1 ATOM 1115 N N . GLU D 1 173 ? -26.021 57.095 -44.309 1.00 35.14 ? 173 GLU B N 1 ATOM 1116 C CA . GLU D 1 173 ? -25.041 56.410 -43.488 1.00 32.67 ? 173 GLU B CA 1 ATOM 1117 C C . GLU D 1 173 ? -25.638 55.318 -42.576 1.00 58.18 ? 173 GLU B C 1 ATOM 1118 O O . GLU D 1 173 ? -25.039 54.256 -42.377 1.00 50.07 ? 173 GLU B O 1 ATOM 1119 C CB . GLU D 1 173 ? -24.302 57.440 -42.647 1.00 39.52 ? 173 GLU B CB 1 ATOM 1120 C CG . GLU D 1 173 ? -23.414 56.826 -41.596 1.00 49.62 ? 173 GLU B CG 1 ATOM 1121 C CD . GLU D 1 173 ? -22.293 56.019 -42.209 1.00 48.40 ? 173 GLU B CD 1 ATOM 1122 O OE1 . GLU D 1 173 ? -22.220 55.942 -43.456 1.00 57.05 ? 173 GLU B OE1 1 ATOM 1123 O OE2 . GLU D 1 173 ? -21.484 55.454 -41.447 1.00 57.72 ? 173 GLU B OE2 1 ATOM 1124 N N . LEU D 1 174 ? -26.814 55.576 -42.012 1.00 49.49 ? 174 LEU B N 1 ATOM 1125 C CA . LEU D 1 174 ? -27.413 54.604 -41.101 1.00 50.21 ? 174 LEU B CA 1 ATOM 1126 C C . LEU D 1 174 ? -27.970 53.443 -41.915 1.00 41.35 ? 174 LEU B C 1 ATOM 1127 O O . LEU D 1 174 ? -27.947 52.296 -41.479 1.00 48.20 ? 174 LEU B O 1 ATOM 1128 C CB . LEU D 1 174 ? -28.506 55.244 -40.247 1.00 47.73 ? 174 LEU B CB 1 ATOM 1129 C CG . LEU D 1 174 ? -28.933 54.403 -39.043 1.00 55.37 ? 174 LEU B CG 1 ATOM 1130 C CD1 . LEU D 1 174 ? -27.918 54.535 -37.922 1.00 49.91 ? 174 LEU B CD1 1 ATOM 1131 C CD2 . LEU D 1 174 ? -30.308 54.807 -38.578 1.00 69.92 ? 174 LEU B CD2 1 ATOM 1132 N N . VAL D 1 175 ? -28.442 53.739 -43.116 1.00 42.44 ? 175 VAL B N 1 ATOM 1133 C CA . VAL D 1 175 ? -28.865 52.674 -44.013 1.00 51.99 ? 175 VAL B CA 1 ATOM 1134 C C . VAL D 1 175 ? -27.697 51.749 -44.368 1.00 53.60 ? 175 VAL B C 1 ATOM 1135 O O . VAL D 1 175 ? -27.835 50.525 -44.293 1.00 52.86 ? 175 VAL B O 1 ATOM 1136 C CB . VAL D 1 175 ? -29.489 53.227 -45.298 1.00 55.68 ? 175 VAL B CB 1 ATOM 1137 C CG1 . VAL D 1 175 ? -29.702 52.109 -46.297 1.00 51.85 ? 175 VAL B CG1 1 ATOM 1138 C CG2 . VAL D 1 175 ? -30.804 53.922 -44.980 1.00 58.61 ? 175 VAL B CG2 1 ATOM 1139 N N . LEU D 1 176 ? -26.552 52.325 -44.737 1.00 53.16 ? 176 LEU B N 1 ATOM 1140 C CA . LEU D 1 176 ? -25.365 51.522 -45.010 1.00 40.81 ? 176 LEU B CA 1 ATOM 1141 C C . LEU D 1 176 ? -25.011 50.678 -43.800 1.00 42.04 ? 176 LEU B C 1 ATOM 1142 O O . LEU D 1 176 ? -24.705 49.496 -43.927 1.00 52.32 ? 176 LEU B O 1 ATOM 1143 C CB . LEU D 1 176 ? -24.159 52.389 -45.377 1.00 47.41 ? 176 LEU B CB 1 ATOM 1144 C CG . LEU D 1 176 ? -24.020 53.092 -46.721 1.00 47.80 ? 176 LEU B CG 1 ATOM 1145 C CD1 . LEU D 1 176 ? -22.677 53.809 -46.760 1.00 46.26 ? 176 LEU B CD1 1 ATOM 1146 C CD2 . LEU D 1 176 ? -24.151 52.117 -47.897 1.00 53.47 ? 176 LEU B CD2 1 ATOM 1147 N N . TYR D 1 177 ? -25.047 51.286 -42.618 1.00 48.09 ? 177 TYR B N 1 ATOM 1148 C CA . TYR D 1 177 ? -24.720 50.545 -41.399 1.00 38.85 ? 177 TYR B CA 1 ATOM 1149 C C . TYR D 1 177 ? -25.644 49.333 -41.198 1.00 45.77 ? 177 TYR B C 1 ATOM 1150 O O . TYR D 1 177 ? -25.179 48.234 -40.907 1.00 44.58 ? 177 TYR B O 1 ATOM 1151 C CB . TYR D 1 177 ? -24.792 51.443 -40.163 1.00 38.06 ? 177 TYR B CB 1 ATOM 1152 C CG . TYR D 1 177 ? -24.638 50.643 -38.900 1.00 40.97 ? 177 TYR B CG 1 ATOM 1153 C CD1 . TYR D 1 177 ? -23.381 50.291 -38.444 1.00 52.14 ? 177 TYR B CD1 1 ATOM 1154 C CD2 . TYR D 1 177 ? -25.747 50.210 -38.175 1.00 47.51 ? 177 TYR B CD2 1 ATOM 1155 C CE1 . TYR D 1 177 ? -23.214 49.544 -37.301 1.00 37.54 ? 177 TYR B CE1 1 ATOM 1156 C CE2 . TYR D 1 177 ? -25.590 49.457 -37.014 1.00 46.62 ? 177 TYR B CE2 1 ATOM 1157 C CZ . TYR D 1 177 ? -24.314 49.128 -36.590 1.00 42.55 ? 177 TYR B CZ 1 ATOM 1158 O OH . TYR D 1 177 ? -24.116 48.379 -35.464 1.00 50.17 ? 177 TYR B OH 1 ATOM 1159 N N . GLU D 1 178 ? -26.951 49.528 -41.340 1.00 51.06 ? 178 GLU B N 1 ATOM 1160 C CA . GLU D 1 178 ? -27.882 48.427 -41.109 1.00 58.82 ? 178 GLU B CA 1 ATOM 1161 C C . GLU D 1 178 ? -27.733 47.384 -42.211 1.00 53.88 ? 178 GLU B C 1 ATOM 1162 O O . GLU D 1 178 ? -27.756 46.183 -41.948 1.00 61.02 ? 178 GLU B O 1 ATOM 1163 C CB . GLU D 1 178 ? -29.329 48.929 -41.036 1.00 51.92 ? 178 GLU B CB 1 ATOM 1164 C CG . GLU D 1 178 ? -29.646 49.784 -39.810 1.00 46.77 ? 178 GLU B CG 1 ATOM 1165 C CD . GLU D 1 178 ? -29.475 49.025 -38.504 1.00 50.09 ? 178 GLU B CD 1 ATOM 1166 O OE1 . GLU D 1 178 ? -29.675 47.795 -38.488 1.00 58.30 ? 178 GLU B OE1 1 ATOM 1167 O OE2 . GLU D 1 178 ? -29.136 49.660 -37.490 1.00 56.93 ? 178 GLU B OE2 1 ATOM 1168 N N . GLN D 1 179 ? -27.572 47.852 -43.442 1.00 46.50 ? 179 GLN B N 1 ATOM 1169 C CA . GLN D 1 179 ? -27.365 46.956 -44.577 1.00 65.21 ? 179 GLN B CA 1 ATOM 1170 C C . GLN D 1 179 ? -26.176 46.028 -44.352 1.00 62.56 ? 179 GLN B C 1 ATOM 1171 O O . GLN D 1 179 ? -26.260 44.829 -44.612 1.00 67.80 ? 179 GLN B O 1 ATOM 1172 C CB . GLN D 1 179 ? -27.164 47.752 -45.863 1.00 60.00 ? 179 GLN B CB 1 ATOM 1173 C CG . GLN D 1 179 ? -26.810 46.904 -47.075 1.00 65.26 ? 179 GLN B CG 1 ATOM 1174 C CD . GLN D 1 179 ? -28.019 46.224 -47.703 1.00 97.20 ? 179 GLN B CD 1 ATOM 1175 O OE1 . GLN D 1 179 ? -29.116 46.224 -47.139 1.00 89.64 ? 179 GLN B OE1 1 ATOM 1176 N NE2 . GLN D 1 179 ? -27.822 45.647 -48.886 1.00 85.83 ? 179 GLN B NE2 1 ATOM 1177 N N . LYS D 1 180 ? -25.073 46.575 -43.851 1.00 59.54 ? 180 LYS B N 1 ATOM 1178 C CA . LYS D 1 180 ? -23.890 45.763 -43.587 1.00 49.07 ? 180 LYS B CA 1 ATOM 1179 C C . LYS D 1 180 ? -24.069 44.852 -42.371 1.00 55.75 ? 180 LYS B C 1 ATOM 1180 O O . LYS D 1 180 ? -23.550 43.741 -42.338 1.00 61.07 ? 180 LYS B O 1 ATOM 1181 C CB . LYS D 1 180 ? -22.664 46.650 -43.387 1.00 59.79 ? 180 LYS B CB 1 ATOM 1182 C CG . LYS D 1 180 ? -21.423 45.865 -42.999 1.00 72.90 ? 180 LYS B CG 1 ATOM 1183 C CD . LYS D 1 180 ? -20.200 46.760 -42.903 1.00 96.33 ? 180 LYS B CD 1 ATOM 1184 C CE . LYS D 1 180 ? -18.939 45.945 -42.663 1.00 94.29 ? 180 LYS B CE 1 ATOM 1185 N NZ . LYS D 1 180 ? -17.732 46.813 -42.580 1.00 106.08 ? 180 LYS B NZ 1 ATOM 1186 N N . LYS D 1 181 ? -24.804 45.328 -41.374 1.00 53.31 ? 181 LYS B N 1 ATOM 1187 C CA . LYS D 1 181 ? -25.049 44.550 -40.162 1.00 57.75 ? 181 LYS B CA 1 ATOM 1188 C C . LYS D 1 181 ? -25.768 43.228 -40.433 1.00 65.97 ? 181 LYS B C 1 ATOM 1189 O O . LYS D 1 181 ? -25.471 42.213 -39.803 1.00 65.46 ? 181 LYS B O 1 ATOM 1190 C CB . LYS D 1 181 ? -25.861 45.378 -39.165 1.00 55.23 ? 181 LYS B CB 1 ATOM 1191 C CG . LYS D 1 181 ? -26.324 44.616 -37.938 1.00 55.54 ? 181 LYS B CG 1 ATOM 1192 C CD . LYS D 1 181 ? -26.855 45.575 -36.890 1.00 54.15 ? 181 LYS B CD 1 ATOM 1193 C CE . LYS D 1 181 ? -27.425 44.833 -35.687 1.00 79.74 ? 181 LYS B CE 1 ATOM 1194 N NZ . LYS D 1 181 ? -26.391 44.062 -34.946 1.00 80.32 ? 181 LYS B NZ 1 ATOM 1195 N N . PHE D 1 182 ? -26.716 43.245 -41.368 1.00 60.01 ? 182 PHE B N 1 ATOM 1196 C CA . PHE D 1 182 ? -27.528 42.062 -41.654 1.00 68.49 ? 182 PHE B CA 1 ATOM 1197 C C . PHE D 1 182 ? -27.140 41.377 -42.955 1.00 63.40 ? 182 PHE B C 1 ATOM 1198 O O . PHE D 1 182 ? -27.893 40.548 -43.461 1.00 68.33 ? 182 PHE B O 1 ATOM 1199 C CB . PHE D 1 182 ? -29.015 42.429 -41.703 1.00 57.20 ? 182 PHE B CB 1 ATOM 1200 C CG . PHE D 1 182 ? -29.574 42.862 -40.379 1.00 47.63 ? 182 PHE B CG 1 ATOM 1201 C CD1 . PHE D 1 182 ? -29.919 41.926 -39.419 1.00 59.87 ? 182 PHE B CD1 1 ATOM 1202 C CD2 . PHE D 1 182 ? -29.757 44.207 -40.097 1.00 45.56 ? 182 PHE B CD2 1 ATOM 1203 C CE1 . PHE D 1 182 ? -30.429 42.322 -38.183 1.00 57.41 ? 182 PHE B CE1 1 ATOM 1204 C CE2 . PHE D 1 182 ? -30.265 44.613 -38.875 1.00 48.09 ? 182 PHE B CE2 1 ATOM 1205 C CZ . PHE D 1 182 ? -30.602 43.669 -37.912 1.00 55.49 ? 182 PHE B CZ 1 ATOM 1206 N N . LYS D 1 183 ? -25.967 41.714 -43.486 1.00 68.11 ? 183 LYS B N 1 ATOM 1207 C CA . LYS D 1 183 ? -25.543 41.224 -44.800 1.00 76.29 ? 183 LYS B CA 1 ATOM 1208 C C . LYS D 1 183 ? -25.283 39.718 -44.816 1.00 78.03 ? 183 LYS B C 1 ATOM 1209 O O . LYS D 1 183 ? -25.568 39.050 -45.806 1.00 68.36 ? 183 LYS B O 1 ATOM 1210 C CB . LYS D 1 183 ? -24.287 41.965 -45.269 1.00 57.37 ? 183 LYS B CB 1 ATOM 1211 C CG . LYS D 1 183 ? -23.883 41.647 -46.699 1.00 82.12 ? 183 LYS B CG 1 ATOM 1212 C CD . LYS D 1 183 ? -22.662 42.451 -47.119 1.00 96.39 ? 183 LYS B CD 1 ATOM 1213 C CE . LYS D 1 183 ? -22.325 42.227 -48.586 1.00 117.01 ? 183 LYS B CE 1 ATOM 1214 N NZ . LYS D 1 183 ? -21.107 42.979 -49.002 1.00 112.90 ? 183 LYS B NZ 1 ATOM 1215 N N . GLU D 1 184 ? -24.748 39.186 -43.720 1.00 74.70 ? 184 GLU B N 1 ATOM 1216 C CA . GLU D 1 184 ? -24.443 37.758 -43.638 1.00 81.38 ? 184 GLU B CA 1 ATOM 1217 C C . GLU D 1 184 ? -25.711 36.906 -43.588 1.00 83.39 ? 184 GLU B C 1 ATOM 1218 O O . GLU D 1 184 ? -25.721 35.767 -44.048 1.00 95.19 ? 184 GLU B O 1 ATOM 1219 C CB . GLU D 1 184 ? -23.570 37.466 -42.418 1.00 67.98 ? 184 GLU B CB 1 ATOM 1220 C CG . GLU D 1 184 ? -24.202 37.852 -41.096 1.00 86.53 ? 184 GLU B CG 1 ATOM 1221 C CD . GLU D 1 184 ? -23.260 37.651 -39.925 1.00 102.22 ? 184 GLU B CD 1 ATOM 1222 O OE1 . GLU D 1 184 ? -23.677 37.902 -38.775 1.00 98.19 ? 184 GLU B OE1 1 ATOM 1223 O OE2 . GLU D 1 184 ? -22.102 37.243 -40.156 1.00 111.61 ? 184 GLU B OE2 1 ATOM 1224 N N . TYR D 1 185 ? -26.777 37.461 -43.024 1.00 80.87 ? 185 TYR B N 1 ATOM 1225 C CA . TYR D 1 185 ? -28.064 36.780 -43.001 1.00 74.94 ? 185 TYR B CA 1 ATOM 1226 C C . TYR D 1 185 ? -28.666 36.765 -44.398 1.00 82.77 ? 185 TYR B C 1 ATOM 1227 O O . TYR D 1 185 ? -29.282 35.783 -44.811 1.00 93.99 ? 185 TYR B O 1 ATOM 1228 C CB . TYR D 1 185 ? -29.021 37.455 -42.014 1.00 74.92 ? 185 TYR B CB 1 ATOM 1229 C CG . TYR D 1 185 ? -28.559 37.393 -40.577 1.00 75.72 ? 185 TYR B CG 1 ATOM 1230 C CD1 . TYR D 1 185 ? -27.665 38.328 -40.072 1.00 79.55 ? 185 TYR B CD1 1 ATOM 1231 C CD2 . TYR D 1 185 ? -29.017 36.400 -39.723 1.00 87.39 ? 185 TYR B CD2 1 ATOM 1232 C CE1 . TYR D 1 185 ? -27.237 38.272 -38.762 1.00 72.92 ? 185 TYR B CE1 1 ATOM 1233 C CE2 . TYR D 1 185 ? -28.599 36.338 -38.412 1.00 79.36 ? 185 TYR B CE2 1 ATOM 1234 C CZ . TYR D 1 185 ? -27.708 37.275 -37.934 1.00 86.00 ? 185 TYR B CZ 1 ATOM 1235 O OH . TYR D 1 185 ? -27.291 37.212 -36.622 1.00 82.14 ? 185 TYR B OH 1 ATOM 1236 N N . GLY D 1 186 ? -28.480 37.860 -45.127 1.00 76.08 ? 186 GLY B N 1 ATOM 1237 C CA . GLY D 1 186 ? -28.987 37.960 -46.481 1.00 80.03 ? 186 GLY B CA 1 ATOM 1238 C C . GLY D 1 186 ? -28.277 37.001 -47.414 1.00 91.37 ? 186 GLY B C 1 ATOM 1239 O O . GLY D 1 186 ? -28.858 36.520 -48.386 1.00 93.11 ? 186 GLY B O 1 ATOM 1240 N N . MET D 1 187 ? -27.012 36.724 -47.113 1.00 92.06 ? 187 MET B N 1 ATOM 1241 C CA . MET D 1 187 ? -26.218 35.793 -47.905 1.00 96.85 ? 187 MET B CA 1 ATOM 1242 C C . MET D 1 187 ? -26.576 34.349 -47.571 1.00 96.74 ? 187 MET B C 1 ATOM 1243 O O . MET D 1 187 ? -26.657 33.502 -48.460 1.00 103.28 ? 187 MET B O 1 ATOM 1244 C CB . MET D 1 187 ? -24.721 36.029 -47.681 1.00 93.35 ? 187 MET B CB 1 ATOM 1245 C CG . MET D 1 187 ? -24.196 37.320 -48.293 1.00 99.53 ? 187 MET B CG 1 ATOM 1246 S SD . MET D 1 187 ? -22.398 37.455 -48.223 1.00 118.60 ? 187 MET B SD 1 ATOM 1247 C CE . MET D 1 187 ? -22.105 37.391 -46.455 1.00 87.90 ? 187 MET B CE 1 ATOM 1248 N N . LYS D 1 188 ? -26.779 34.077 -46.285 1.00 82.41 ? 188 LYS B N 1 ATOM 1249 C CA . LYS D 1 188 ? -27.194 32.756 -45.831 1.00 91.90 ? 188 LYS B CA 1 ATOM 1250 C C . LYS D 1 188 ? -28.457 32.325 -46.565 1.00 92.26 ? 188 LYS B C 1 ATOM 1251 O O . LYS D 1 188 ? -28.545 31.208 -47.072 1.00 102.25 ? 188 LYS B O 1 ATOM 1252 C CB . LYS D 1 188 ? -27.434 32.756 -44.320 1.00 85.14 ? 188 LYS B CB 1 ATOM 1253 C CG . LYS D 1 188 ? -27.731 31.387 -43.721 1.00 92.68 ? 188 LYS B CG 1 ATOM 1254 C CD . LYS D 1 188 ? -26.462 30.560 -43.569 1.00 105.54 ? 188 LYS B CD 1 ATOM 1255 C CE . LYS D 1 188 ? -26.696 29.344 -42.683 1.00 108.10 ? 188 LYS B CE 1 ATOM 1256 N NZ . LYS D 1 188 ? -25.427 28.618 -42.385 1.00 101.42 ? 188 LYS B NZ 1 ATOM 1257 N N . ILE D 1 189 ? -29.428 33.230 -46.622 1.00 80.73 ? 189 ILE B N 1 ATOM 1258 C CA . ILE D 1 189 ? -30.669 32.994 -47.350 1.00 78.27 ? 189 ILE B CA 1 ATOM 1259 C C . ILE D 1 189 ? -30.421 32.687 -48.820 1.00 91.04 ? 189 ILE B C 1 ATOM 1260 O O . ILE D 1 189 ? -31.093 31.840 -49.404 1.00 109.52 ? 189 ILE B O 1 ATOM 1261 C CB . ILE D 1 189 ? -31.614 34.207 -47.257 1.00 75.49 ? 189 ILE B CB 1 ATOM 1262 C CG1 . ILE D 1 189 ? -32.210 34.312 -45.854 1.00 82.70 ? 189 ILE B CG1 1 ATOM 1263 C CG2 . ILE D 1 189 ? -32.712 34.110 -48.301 1.00 82.73 ? 189 ILE B CG2 1 ATOM 1264 C CD1 . ILE D 1 189 ? -33.199 35.448 -45.697 1.00 87.25 ? 189 ILE B CD1 1 ATOM 1265 N N . ASP D 1 190 ? -29.456 33.379 -49.416 1.00 95.18 ? 190 ASP B N 1 ATOM 1266 C CA . ASP D 1 190 ? -29.200 33.233 -50.845 1.00 110.52 ? 190 ASP B CA 1 ATOM 1267 C C . ASP D 1 190 ? -28.562 31.888 -51.174 1.00 108.04 ? 190 ASP B C 1 ATOM 1268 O O . ASP D 1 190 ? -28.937 31.242 -52.152 1.00 101.27 ? 190 ASP B O 1 ATOM 1269 C CB . ASP D 1 190 ? -28.310 34.370 -51.354 1.00 117.00 ? 190 ASP B CB 1 ATOM 1270 C CG . ASP D 1 190 ? -28.965 35.733 -51.212 1.00 127.20 ? 190 ASP B CG 1 ATOM 1271 O OD1 . ASP D 1 190 ? -30.206 35.790 -51.068 1.00 124.22 ? 190 ASP B OD1 1 ATOM 1272 O OD2 . ASP D 1 190 ? -28.238 36.749 -51.244 1.00 131.97 ? 190 ASP B OD2 1 ATOM 1273 N N . GLU D 1 191 ? -27.603 31.466 -50.355 1.00 98.64 ? 191 GLU B N 1 ATOM 1274 C CA . GLU D 1 191 ? -26.888 30.222 -50.616 1.00 105.62 ? 191 GLU B CA 1 ATOM 1275 C C . GLU D 1 191 ? -27.784 29.014 -50.370 1.00 108.30 ? 191 GLU B C 1 ATOM 1276 O O . GLU D 1 191 ? -27.756 28.046 -51.131 1.00 113.87 ? 191 GLU B O 1 ATOM 1277 C CB . GLU D 1 191 ? -25.623 30.126 -49.759 1.00 103.19 ? 191 GLU B CB 1 ATOM 1278 C CG . GLU D 1 191 ? -25.876 30.021 -48.264 1.00 112.16 ? 191 GLU B CG 1 ATOM 1279 C CD . GLU D 1 191 ? -24.606 29.739 -47.482 1.00 125.44 ? 191 GLU B CD 1 ATOM 1280 O OE1 . GLU D 1 191 ? -23.829 28.855 -47.904 1.00 128.10 ? 191 GLU B OE1 1 ATOM 1281 O OE2 . GLU D 1 191 ? -24.381 30.405 -46.450 1.00 128.03 ? 191 GLU B OE2 1 ATOM 1282 N N . ILE D 1 192 ? -28.579 29.077 -49.307 1.00 101.31 ? 192 ILE B N 1 ATOM 1283 C CA . ILE D 1 192 ? -29.496 27.992 -48.978 1.00 102.35 ? 192 ILE B CA 1 ATOM 1284 C C . ILE D 1 192 ? -30.647 27.928 -49.973 1.00 106.92 ? 192 ILE B C 1 ATOM 1285 O O . ILE D 1 192 ? -31.097 26.846 -50.346 1.00 114.77 ? 192 ILE B O 1 ATOM 1286 C CB . ILE D 1 192 ? -30.059 28.140 -47.560 1.00 90.70 ? 192 ILE B CB 1 ATOM 1287 C CG1 . ILE D 1 192 ? -28.957 27.885 -46.531 1.00 100.93 ? 192 ILE B CG1 1 ATOM 1288 C CG2 . ILE D 1 192 ? -31.211 27.181 -47.348 1.00 102.78 ? 192 ILE B CG2 1 ATOM 1289 C CD1 . ILE D 1 192 ? -29.446 27.885 -45.102 1.00 112.02 ? 192 ILE B CD1 1 ATOM 1290 N N . THR D 1 193 ? -31.118 29.093 -50.405 1.00 104.17 ? 193 THR B N 1 ATOM 1291 C CA . THR D 1 193 ? -32.149 29.165 -51.431 1.00 94.15 ? 193 THR B CA 1 ATOM 1292 C C . THR D 1 193 ? -31.613 28.610 -52.743 1.00 103.24 ? 193 THR B C 1 ATOM 1293 O O . THR D 1 193 ? -32.377 28.197 -53.614 1.00 108.15 ? 193 THR B O 1 ATOM 1294 C CB . THR D 1 193 ? -32.642 30.606 -51.643 1.00 91.76 ? 193 THR B CB 1 ATOM 1295 O OG1 . THR D 1 193 ? -33.131 31.133 -50.403 1.00 96.73 ? 193 THR B OG1 1 ATOM 1296 C CG2 . THR D 1 193 ? -33.756 30.644 -52.675 1.00 96.02 ? 193 THR B CG2 1 ATOM 1297 N N . LYS D 1 194 ? -30.291 28.606 -52.878 1.00 107.22 ? 194 LYS B N 1 ATOM 1298 C CA . LYS D 1 194 ? -29.647 28.024 -54.047 1.00 116.71 ? 194 LYS B CA 1 ATOM 1299 C C . LYS D 1 194 ? -29.634 26.506 -53.930 1.00 121.98 ? 194 LYS B C 1 ATOM 1300 O O . LYS D 1 194 ? -29.779 25.795 -54.925 1.00 124.89 ? 194 LYS B O 1 ATOM 1301 C CB . LYS D 1 194 ? -28.220 28.557 -54.208 1.00 113.65 ? 194 LYS B CB 1 ATOM 1302 C CG . LYS D 1 194 ? -27.480 27.979 -55.407 1.00 123.92 ? 194 LYS B CG 1 ATOM 1303 C CD . LYS D 1 194 ? -26.071 28.539 -55.521 1.00 121.79 ? 194 LYS B CD 1 ATOM 1304 C CE . LYS D 1 194 ? -25.352 27.975 -56.739 1.00 119.80 ? 194 LYS B CE 1 ATOM 1305 N NZ . LYS D 1 194 ? -23.973 28.520 -56.875 1.00 122.11 ? 194 LYS B NZ 1 ATOM 1306 N N . GLU D 1 195 ? -29.459 26.019 -52.705 1.00 114.61 ? 195 GLU B N 1 ATOM 1307 C CA . GLU D 1 195 ? -29.470 24.587 -52.439 1.00 115.64 ? 195 GLU B CA 1 ATOM 1308 C C . GLU D 1 195 ? -30.845 23.998 -52.734 1.00 120.19 ? 195 GLU B C 1 ATOM 1309 O O . GLU D 1 195 ? -30.956 22.890 -53.257 1.00 130.30 ? 195 GLU B O 1 ATOM 1310 C CB . GLU D 1 195 ? -29.070 24.304 -50.989 1.00 111.56 ? 195 GLU B CB 1 ATOM 1311 C CG . GLU D 1 195 ? -27.650 24.726 -50.640 1.00 118.81 ? 195 GLU B CG 1 ATOM 1312 C CD . GLU D 1 195 ? -27.327 24.537 -49.167 1.00 132.75 ? 195 GLU B CD 1 ATOM 1313 O OE1 . GLU D 1 195 ? -28.252 24.221 -48.388 1.00 131.97 ? 195 GLU B OE1 1 ATOM 1314 O OE2 . GLU D 1 195 ? -26.148 24.704 -48.786 1.00 127.57 ? 195 GLU B OE2 1 ATOM 1315 N N . ASN D 1 196 ? -31.892 24.746 -52.401 1.00 107.93 ? 196 ASN B N 1 ATOM 1316 C CA . ASN D 1 196 ? -33.255 24.305 -52.669 1.00 108.37 ? 196 ASN B CA 1 ATOM 1317 C C . ASN D 1 196 ? -33.541 24.235 -54.162 1.00 119.22 ? 196 ASN B C 1 ATOM 1318 O O . ASN D 1 196 ? -34.321 23.397 -54.616 1.00 127.01 ? 196 ASN B O 1 ATOM 1319 C CB . ASN D 1 196 ? -34.262 25.230 -51.986 1.00 96.95 ? 196 ASN B CB 1 ATOM 1320 C CG . ASN D 1 196 ? -34.314 25.023 -50.488 1.00 111.16 ? 196 ASN B CG 1 ATOM 1321 O OD1 . ASN D 1 196 ? -33.420 24.411 -49.905 1.00 112.39 ? 196 ASN B OD1 1 ATOM 1322 N ND2 . ASN D 1 196 ? -35.365 25.531 -49.856 1.00 116.99 ? 196 ASN B ND2 1 ATOM 1323 N N . LYS D 1 197 ? -32.908 25.121 -54.923 1.00 120.69 ? 197 LYS B N 1 ATOM 1324 C CA . LYS D 1 197 ? -33.025 25.096 -56.375 1.00 126.75 ? 197 LYS B CA 1 ATOM 1325 C C . LYS D 1 197 ? -32.352 23.849 -56.934 1.00 132.23 ? 197 LYS B C 1 ATOM 1326 O O . LYS D 1 197 ? -32.892 23.184 -57.817 1.00 133.39 ? 197 LYS B O 1 ATOM 1327 C CB . LYS D 1 197 ? -32.404 26.350 -56.990 1.00 131.39 ? 197 LYS B CB 1 ATOM 1328 C CG . LYS D 1 197 ? -33.140 27.642 -56.685 1.00 123.14 ? 197 LYS B CG 1 ATOM 1329 C CD . LYS D 1 197 ? -32.247 28.837 -56.975 1.00 129.75 ? 197 LYS B CD 1 ATOM 1330 C CE . LYS D 1 197 ? -31.530 28.672 -58.308 1.00 135.70 ? 197 LYS B CE 1 ATOM 1331 N NZ . LYS D 1 197 ? -30.463 29.692 -58.508 1.00 131.78 ? 197 LYS B NZ 1 ATOM 1332 N N . LYS D 1 198 ? -31.170 23.541 -56.408 1.00 131.26 ? 198 LYS B N 1 ATOM 1333 C CA . LYS D 1 198 ? -30.405 22.381 -56.852 1.00 133.74 ? 198 LYS B CA 1 ATOM 1334 C C . LYS D 1 198 ? -31.147 21.082 -56.552 1.00 135.70 ? 198 LYS B C 1 ATOM 1335 O O . LYS D 1 198 ? -31.231 20.196 -57.402 1.00 141.47 ? 198 LYS B O 1 ATOM 1336 C CB . LYS D 1 198 ? -29.023 22.363 -56.194 1.00 128.43 ? 198 LYS B CB 1 ATOM 1337 C CG . LYS D 1 198 ? -28.106 23.498 -56.633 1.00 127.40 ? 198 LYS B CG 1 ATOM 1338 C CD . LYS D 1 198 ? -26.715 23.346 -56.033 1.00 135.38 ? 198 LYS B CD 1 ATOM 1339 C CE . LYS D 1 198 ? -25.774 24.444 -56.511 1.00 130.54 ? 198 LYS B CE 1 ATOM 1340 N NZ . LYS D 1 198 ? -24.399 24.279 -55.956 1.00 119.00 ? 198 LYS B NZ 1 ATOM 1341 N N . LEU D 1 199 ? -31.684 20.976 -55.341 1.00 125.05 ? 199 LEU B N 1 ATOM 1342 C CA . LEU D 1 199 ? -32.459 19.804 -54.955 1.00 126.87 ? 199 LEU B CA 1 ATOM 1343 C C . LEU D 1 199 ? -33.742 19.705 -55.775 1.00 134.70 ? 199 LEU B C 1 ATOM 1344 O O . LEU D 1 199 ? -34.185 18.610 -56.118 1.00 147.63 ? 199 LEU B O 1 ATOM 1345 C CB . LEU D 1 199 ? -32.790 19.843 -53.462 1.00 123.47 ? 199 LEU B CB 1 ATOM 1346 C CG . LEU D 1 199 ? -31.594 19.829 -52.511 1.00 118.70 ? 199 LEU B CG 1 ATOM 1347 C CD1 . LEU D 1 199 ? -32.056 19.671 -51.071 1.00 115.94 ? 199 LEU B CD1 1 ATOM 1348 C CD2 . LEU D 1 199 ? -30.619 18.728 -52.893 1.00 114.22 ? 199 LEU B CD2 1 ATOM 1349 N N . ALA D 1 200 ? -34.333 20.854 -56.088 1.00 129.15 ? 200 ALA B N 1 ATOM 1350 C CA . ALA D 1 200 ? -35.547 20.892 -56.894 1.00 126.21 ? 200 ALA B CA 1 ATOM 1351 C C . ALA D 1 200 ? -35.243 20.570 -58.356 1.00 138.26 ? 200 ALA B C 1 ATOM 1352 O O . ALA D 1 200 ? -36.133 20.181 -59.111 1.00 138.65 ? 200 ALA B O 1 ATOM 1353 C CB . ALA D 1 200 ? -36.221 22.250 -56.776 1.00 116.37 ? 200 ALA B CB 1 ATOM 1354 N N . ASN D 1 201 ? -33.984 20.736 -58.749 1.00 143.79 ? 201 ASN B N 1 ATOM 1355 C CA . ASN D 1 201 ? -33.554 20.404 -60.104 1.00 145.79 ? 201 ASN B CA 1 ATOM 1356 C C . ASN D 1 201 ? -33.015 18.979 -60.190 1.00 147.44 ? 201 ASN B C 1 ATOM 1357 O O . ASN D 1 201 ? -32.460 18.571 -61.211 1.00 147.88 ? 201 ASN B O 1 ATOM 1358 C CB . ASN D 1 201 ? -32.496 21.397 -60.592 1.00 145.33 ? 201 ASN B CB 1 ATOM 1359 C CG . ASN D 1 201 ? -33.056 22.792 -60.797 1.00 146.16 ? 201 ASN B CG 1 ATOM 1360 O OD1 . ASN D 1 201 ? -34.263 22.971 -60.960 1.00 143.28 ? 201 ASN B OD1 1 ATOM 1361 N ND2 . ASN D 1 201 ? -32.178 23.789 -60.792 1.00 142.44 ? 201 ASN B ND2 1 ATOM 1362 N N . GLU D 1 202 ? -33.180 18.230 -59.105 1.00 149.53 ? 202 GLU B N 1 ATOM 1363 C CA . GLU D 1 202 ? -32.810 16.820 -59.077 1.00 151.87 ? 202 GLU B CA 1 ATOM 1364 C C . GLU D 1 202 ? -34.043 15.959 -58.834 1.00 158.00 ? 202 GLU B C 1 ATOM 1365 O O . GLU D 1 202 ? -34.219 14.919 -59.468 1.00 167.79 ? 202 GLU B O 1 ATOM 1366 C CB . GLU D 1 202 ? -31.758 16.552 -57.999 1.00 153.02 ? 202 GLU B CB 1 ATOM 1367 C CG . GLU D 1 202 ? -30.413 17.206 -58.262 1.00 163.47 ? 202 GLU B CG 1 ATOM 1368 C CD . GLU D 1 202 ? -29.366 16.813 -57.236 1.00 168.09 ? 202 GLU B CD 1 ATOM 1369 O OE1 . GLU D 1 202 ? -29.693 16.023 -56.324 1.00 159.54 ? 202 GLU B OE1 1 ATOM 1370 O OE2 . GLU D 1 202 ? -28.217 17.292 -57.342 1.00 173.06 ? 202 GLU B OE2 1 ATOM 1371 N N . ILE D 1 203 ? -34.894 16.401 -57.912 1.00 148.03 ? 203 ILE B N 1 ATOM 1372 C CA . ILE D 1 203 ? -36.132 15.693 -57.607 1.00 147.01 ? 203 ILE B CA 1 ATOM 1373 C C . ILE D 1 203 ? -37.081 15.692 -58.800 1.00 158.76 ? 203 ILE B C 1 ATOM 1374 O O . ILE D 1 203 ? -37.594 14.645 -59.193 1.00 169.12 ? 203 ILE B O 1 ATOM 1375 C CB . ILE D 1 203 ? -36.855 16.309 -56.397 1.00 140.30 ? 203 ILE B CB 1 ATOM 1376 C CG1 . ILE D 1 203 ? -36.072 16.032 -55.114 1.00 143.95 ? 203 ILE B CG1 1 ATOM 1377 C CG2 . ILE D 1 203 ? -38.267 15.757 -56.284 1.00 137.23 ? 203 ILE B CG2 1 ATOM 1378 C CD1 . ILE D 1 203 ? -36.760 16.525 -53.860 1.00 144.45 ? 203 ILE B CD1 1 ATOM 1379 N N . GLY D 1 204 ? -37.309 16.869 -59.373 1.00 156.28 ? 204 GLY B N 1 ATOM 1380 C CA . GLY D 1 204 ? -38.201 17.004 -60.510 1.00 163.89 ? 204 GLY B CA 1 ATOM 1381 C C . GLY D 1 204 ? -37.699 16.276 -61.743 1.00 170.47 ? 204 GLY B C 1 ATOM 1382 O O . GLY D 1 204 ? -38.456 16.038 -62.685 1.00 170.79 ? 204 GLY B O 1 ATOM 1383 N N . ARG D 1 205 ? -36.418 15.922 -61.736 1.00 168.35 ? 205 ARG B N 1 ATOM 1384 C CA . ARG D 1 205 ? -35.811 15.222 -62.860 1.00 170.87 ? 205 ARG B CA 1 ATOM 1385 C C . ARG D 1 205 ? -35.937 13.709 -62.707 1.00 172.69 ? 205 ARG B C 1 ATOM 1386 O O . ARG D 1 205 ? -36.010 12.981 -63.697 1.00 177.51 ? 205 ARG B O 1 ATOM 1387 C CB . ARG D 1 205 ? -34.338 15.614 -63.003 1.00 167.60 ? 205 ARG B CB 1 ATOM 1388 C CG . ARG D 1 205 ? -33.633 14.960 -64.182 1.00 170.31 ? 205 ARG B CG 1 ATOM 1389 C CD . ARG D 1 205 ? -32.174 15.379 -64.259 1.00 161.98 ? 205 ARG B CD 1 ATOM 1390 N NE . ARG D 1 205 ? -31.439 15.028 -63.048 1.00 161.22 ? 205 ARG B NE 1 ATOM 1391 C CZ . ARG D 1 205 ? -30.838 13.859 -62.850 1.00 153.95 ? 205 ARG B CZ 1 ATOM 1392 N NH1 . ARG D 1 205 ? -30.885 12.920 -63.786 1.00 156.80 ? 205 ARG B NH1 1 ATOM 1393 N NH2 . ARG D 1 205 ? -30.191 13.627 -61.716 1.00 142.35 ? 205 ARG B NH2 1 ATOM 1394 N N . LEU D 1 206 ? -35.964 13.242 -61.462 1.00 166.56 ? 206 LEU B N 1 ATOM 1395 C CA . LEU D 1 206 ? -36.049 11.812 -61.186 1.00 163.64 ? 206 LEU B CA 1 ATOM 1396 C C . LEU D 1 206 ? -37.470 11.289 -61.363 1.00 160.38 ? 206 LEU B C 1 ATOM 1397 O O . LEU D 1 206 ? -37.684 10.267 -62.015 1.00 163.43 ? 206 LEU B O 1 ATOM 1398 C CB . LEU D 1 206 ? -35.552 11.508 -59.773 1.00 157.28 ? 206 LEU B CB 1 ATOM 1399 C CG . LEU D 1 206 ? -34.097 11.884 -59.486 1.00 158.73 ? 206 LEU B CG 1 ATOM 1400 C CD1 . LEU D 1 206 ? -33.613 11.223 -58.203 1.00 155.99 ? 206 LEU B CD1 1 ATOM 1401 C CD2 . LEU D 1 206 ? -33.199 11.520 -60.660 1.00 151.79 ? 206 LEU B CD2 1 ATOM 1402 N N . ARG D 1 207 ? -38.434 11.994 -60.779 1.00 157.27 ? 207 ARG B N 1 ATOM 1403 C CA . ARG D 1 207 ? -39.837 11.610 -60.882 1.00 157.66 ? 207 ARG B CA 1 ATOM 1404 C C . ARG D 1 207 ? -40.276 11.584 -62.342 1.00 164.24 ? 207 ARG B C 1 ATOM 1405 O O . ARG D 1 207 ? -40.899 10.625 -62.795 1.00 163.87 ? 207 ARG B O 1 ATOM 1406 C CB . ARG D 1 207 ? -40.716 12.567 -60.076 1.00 147.89 ? 207 ARG B CB 1 ATOM 1407 C CG . ARG D 1 207 ? -40.075 13.030 -58.779 1.00 150.26 ? 207 ARG B CG 1 ATOM 1408 C CD . ARG D 1 207 ? -41.040 13.822 -57.916 1.00 148.00 ? 207 ARG B CD 1 ATOM 1409 N NE . ARG D 1 207 ? -41.595 13.006 -56.840 1.00 153.90 ? 207 ARG B NE 1 ATOM 1410 C CZ . ARG D 1 207 ? -42.389 13.471 -55.882 1.00 152.25 ? 207 ARG B CZ 1 ATOM 1411 N NH1 . ARG D 1 207 ? -42.728 14.753 -55.862 1.00 146.16 ? 207 ARG B NH1 1 ATOM 1412 N NH2 . ARG D 1 207 ? -42.845 12.654 -54.943 1.00 151.84 ? 207 ARG B NH2 1 ATOM 1413 N N . GLU D 1 208 ? -39.934 12.642 -63.073 1.00 171.17 ? 208 GLU B N 1 ATOM 1414 C CA . GLU D 1 208 ? -40.223 12.726 -64.502 1.00 174.68 ? 208 GLU B CA 1 ATOM 1415 C C . GLU D 1 208 ? -39.606 11.539 -65.237 1.00 172.18 ? 208 GLU B C 1 ATOM 1416 O O . GLU D 1 208 ? -40.248 10.908 -66.079 1.00 170.85 ? 208 GLU B O 1 ATOM 1417 C CB . GLU D 1 208 ? -39.696 14.042 -65.077 1.00 175.32 ? 208 GLU B CB 1 ATOM 1418 C CG . GLU D 1 208 ? -40.144 14.326 -66.501 1.00 176.86 ? 208 GLU B CG 1 ATOM 1419 C CD . GLU D 1 208 ? -41.640 14.550 -66.607 1.00 178.30 ? 208 GLU B CD 1 ATOM 1420 O OE1 . GLU D 1 208 ? -42.284 14.786 -65.563 1.00 179.64 ? 208 GLU B OE1 1 ATOM 1421 O OE2 . GLU D 1 208 ? -42.172 14.489 -67.735 1.00 170.50 ? 208 GLU B OE2 1 ATOM 1422 N N . ARG D 1 209 ? -38.353 11.245 -64.904 1.00 168.77 ? 209 ARG B N 1 ATOM 1423 C CA . ARG D 1 209 ? -37.658 10.068 -65.412 1.00 159.63 ? 209 ARG B CA 1 ATOM 1424 C C . ARG D 1 209 ? -38.329 8.790 -64.917 1.00 161.14 ? 209 ARG B C 1 ATOM 1425 O O . ARG D 1 209 ? -38.543 7.847 -65.680 1.00 159.46 ? 209 ARG B O 1 ATOM 1426 C CB . ARG D 1 209 ? -36.194 10.100 -64.976 1.00 147.76 ? 209 ARG B CB 1 ATOM 1427 C CG . ARG D 1 209 ? -35.455 8.787 -65.122 1.00 140.23 ? 209 ARG B CG 1 ATOM 1428 C CD . ARG D 1 209 ? -34.297 8.733 -64.142 1.00 142.84 ? 209 ARG B CD 1 ATOM 1429 N NE . ARG D 1 209 ? -33.265 7.784 -64.544 1.00 147.21 ? 209 ARG B NE 1 ATOM 1430 C CZ . ARG D 1 209 ? -32.151 7.562 -63.856 1.00 150.89 ? 209 ARG B CZ 1 ATOM 1431 N NH1 . ARG D 1 209 ? -31.260 6.683 -64.295 1.00 150.22 ? 209 ARG B NH1 1 ATOM 1432 N NH2 . ARG D 1 209 ? -31.927 8.221 -62.727 1.00 146.86 ? 209 ARG B NH2 1 ATOM 1433 N N . TRP D 1 210 ? -38.655 8.777 -63.628 1.00 162.18 ? 210 TRP B N 1 ATOM 1434 C CA . TRP D 1 210 ? -39.342 7.658 -62.995 1.00 158.81 ? 210 TRP B CA 1 ATOM 1435 C C . TRP D 1 210 ? -40.680 7.364 -63.668 1.00 155.66 ? 210 TRP B C 1 ATOM 1436 O O . TRP D 1 210 ? -41.011 6.207 -63.930 1.00 155.93 ? 210 TRP B O 1 ATOM 1437 C CB . TRP D 1 210 ? -39.547 7.954 -61.506 1.00 160.17 ? 210 TRP B CB 1 ATOM 1438 C CG . TRP D 1 210 ? -40.482 7.022 -60.798 1.00 158.11 ? 210 TRP B CG 1 ATOM 1439 C CD1 . TRP D 1 210 ? -41.843 7.114 -60.743 1.00 156.18 ? 210 TRP B CD1 1 ATOM 1440 C CD2 . TRP D 1 210 ? -40.126 5.874 -60.023 1.00 160.58 ? 210 TRP B CD2 1 ATOM 1441 N NE1 . TRP D 1 210 ? -42.357 6.086 -59.992 1.00 157.28 ? 210 TRP B NE1 1 ATOM 1442 C CE2 . TRP D 1 210 ? -41.320 5.307 -59.535 1.00 162.02 ? 210 TRP B CE2 1 ATOM 1443 C CE3 . TRP D 1 210 ? -38.912 5.259 -59.695 1.00 157.54 ? 210 TRP B CE3 1 ATOM 1444 C CZ2 . TRP D 1 210 ? -41.343 4.164 -58.742 1.00 159.31 ? 210 TRP B CZ2 1 ATOM 1445 C CZ3 . TRP D 1 210 ? -38.932 4.123 -58.906 1.00 157.79 ? 210 TRP B CZ3 1 ATOM 1446 C CH2 . TRP D 1 210 ? -40.139 3.587 -58.439 1.00 157.45 ? 210 TRP B CH2 1 ATOM 1447 N N . ASP D 1 211 ? -41.443 8.417 -63.946 1.00 156.77 ? 211 ASP B N 1 ATOM 1448 C CA . ASP D 1 211 ? -42.747 8.283 -64.590 1.00 157.86 ? 211 ASP B CA 1 ATOM 1449 C C . ASP D 1 211 ? -42.640 7.628 -65.966 1.00 154.54 ? 211 ASP B C 1 ATOM 1450 O O . ASP D 1 211 ? -41.549 7.490 -66.520 1.00 145.89 ? 211 ASP B O 1 ATOM 1451 C CB . ASP D 1 211 ? -43.424 9.651 -64.717 1.00 155.79 ? 211 ASP B CB 1 ATOM 1452 C CG . ASP D 1 211 ? -44.205 10.037 -63.474 1.00 149.47 ? 211 ASP B CG 1 ATOM 1453 O OD1 . ASP D 1 211 ? -43.601 10.586 -62.529 1.00 145.20 ? 211 ASP B OD1 1 ATOM 1454 O OD2 . ASP D 1 211 ? -45.430 9.798 -63.445 1.00 146.94 ? 211 ASP B OD2 1 ATOM 1455 N N . GLN E 1 120 ? -16.259 39.830 -9.299 1.00 129.32 ? 120 GLN G N 1 ATOM 1456 C CA . GLN E 1 120 ? -15.850 38.511 -9.768 1.00 130.35 ? 120 GLN G CA 1 ATOM 1457 C C . GLN E 1 120 ? -15.202 38.602 -11.147 1.00 109.45 ? 120 GLN G C 1 ATOM 1458 O O . GLN E 1 120 ? -13.992 38.803 -11.249 1.00 105.01 ? 120 GLN G O 1 ATOM 1459 C CB . GLN E 1 120 ? -17.048 37.557 -9.794 1.00 137.40 ? 120 GLN G CB 1 ATOM 1460 C CG . GLN E 1 120 ? -17.649 37.296 -8.419 1.00 144.67 ? 120 GLN G CG 1 ATOM 1461 C CD . GLN E 1 120 ? -18.851 36.372 -8.467 1.00 156.03 ? 120 GLN G CD 1 ATOM 1462 O OE1 . GLN E 1 120 ? -19.288 35.958 -9.541 1.00 164.29 ? 120 GLN G OE1 1 ATOM 1463 N NE2 . GLN E 1 120 ? -19.392 36.044 -7.298 1.00 136.83 ? 120 GLN G NE2 1 ATOM 1464 N N . ASP E 1 121 ? -16.004 38.452 -12.200 1.00 103.98 ? 121 ASP G N 1 ATOM 1465 C CA . ASP E 1 121 ? -15.500 38.581 -13.566 1.00 82.38 ? 121 ASP G CA 1 ATOM 1466 C C . ASP E 1 121 ? -14.954 39.981 -13.800 1.00 80.18 ? 121 ASP G C 1 ATOM 1467 O O . ASP E 1 121 ? -15.676 40.972 -13.694 1.00 82.18 ? 121 ASP G O 1 ATOM 1468 C CB . ASP E 1 121 ? -16.592 38.272 -14.596 1.00 94.68 ? 121 ASP G CB 1 ATOM 1469 C CG . ASP E 1 121 ? -16.156 38.582 -16.027 1.00 97.29 ? 121 ASP G CG 1 ATOM 1470 O OD1 . ASP E 1 121 ? -14.980 38.328 -16.368 1.00 100.98 ? 121 ASP G OD1 1 ATOM 1471 O OD2 . ASP E 1 121 ? -16.987 39.085 -16.815 1.00 82.27 ? 121 ASP G OD2 1 ATOM 1472 N N . THR E 1 122 ? -13.667 40.049 -14.108 1.00 79.60 ? 122 THR G N 1 ATOM 1473 C CA . THR E 1 122 ? -13.009 41.309 -14.406 1.00 72.92 ? 122 THR G CA 1 ATOM 1474 C C . THR E 1 122 ? -12.348 41.196 -15.770 1.00 73.58 ? 122 THR G C 1 ATOM 1475 O O . THR E 1 122 ? -11.632 42.095 -16.211 1.00 61.26 ? 122 THR G O 1 ATOM 1476 C CB . THR E 1 122 ? -11.957 41.663 -13.347 1.00 72.16 ? 122 THR G CB 1 ATOM 1477 O OG1 . THR E 1 122 ? -11.390 42.945 -13.642 1.00 93.08 ? 122 THR G OG1 1 ATOM 1478 C CG2 . THR E 1 122 ? -10.854 40.621 -13.339 1.00 66.32 ? 122 THR G CG2 1 ATOM 1479 N N . LEU E 1 123 ? -12.598 40.069 -16.428 1.00 67.08 ? 123 LEU G N 1 ATOM 1480 C CA . LEU E 1 123 ? -11.952 39.751 -17.690 1.00 64.94 ? 123 LEU G CA 1 ATOM 1481 C C . LEU E 1 123 ? -12.514 40.611 -18.826 1.00 69.25 ? 123 LEU G C 1 ATOM 1482 O O . LEU E 1 123 ? -11.759 41.232 -19.562 1.00 55.64 ? 123 LEU G O 1 ATOM 1483 C CB . LEU E 1 123 ? -12.114 38.266 -17.995 1.00 64.67 ? 123 LEU G CB 1 ATOM 1484 C CG . LEU E 1 123 ? -11.227 37.684 -19.091 1.00 67.56 ? 123 LEU G CG 1 ATOM 1485 C CD1 . LEU E 1 123 ? -9.772 38.039 -18.846 1.00 78.89 ? 123 LEU G CD1 1 ATOM 1486 C CD2 . LEU E 1 123 ? -11.409 36.176 -19.157 1.00 72.45 ? 123 LEU G CD2 1 ATOM 1487 N N . SER E 1 124 ? -13.837 40.663 -18.950 1.00 58.82 ? 124 SER G N 1 ATOM 1488 C CA . SER E 1 124 ? -14.482 41.528 -19.939 1.00 60.74 ? 124 SER G CA 1 ATOM 1489 C C . SER E 1 124 ? -14.165 43.004 -19.708 1.00 62.08 ? 124 SER G C 1 ATOM 1490 O O . SER E 1 124 ? -14.363 43.512 -18.599 1.00 57.07 ? 124 SER G O 1 ATOM 1491 C CB . SER E 1 124 ? -15.999 41.327 -19.916 1.00 48.11 ? 124 SER G CB 1 ATOM 1492 O OG . SER E 1 124 ? -16.349 40.079 -20.479 1.00 82.01 ? 124 SER G OG 1 ATOM 1493 N N . PRO E 1 125 ? -13.691 43.701 -20.762 1.00 53.94 ? 125 PRO G N 1 ATOM 1494 C CA . PRO E 1 125 ? -13.371 45.132 -20.681 1.00 44.65 ? 125 PRO G CA 1 ATOM 1495 C C . PRO E 1 125 ? -14.454 45.962 -19.992 1.00 48.91 ? 125 PRO G C 1 ATOM 1496 O O . PRO E 1 125 ? -14.148 46.919 -19.275 1.00 52.48 ? 125 PRO G O 1 ATOM 1497 C CB . PRO E 1 125 ? -13.224 45.530 -22.147 1.00 44.15 ? 125 PRO G CB 1 ATOM 1498 C CG . PRO E 1 125 ? -12.636 44.317 -22.777 1.00 39.80 ? 125 PRO G CG 1 ATOM 1499 C CD . PRO E 1 125 ? -13.301 43.138 -22.067 1.00 48.40 ? 125 PRO G CD 1 ATOM 1500 N N . ILE E 1 126 ? -15.709 45.590 -20.189 1.00 54.73 ? 126 ILE G N 1 ATOM 1501 C CA . ILE E 1 126 ? -16.793 46.364 -19.616 1.00 49.55 ? 126 ILE G CA 1 ATOM 1502 C C . ILE E 1 126 ? -16.776 46.285 -18.080 1.00 57.63 ? 126 ILE G C 1 ATOM 1503 O O . ILE E 1 126 ? -17.272 47.192 -17.419 1.00 50.75 ? 126 ILE G O 1 ATOM 1504 C CB . ILE E 1 126 ? -18.165 45.914 -20.177 1.00 60.70 ? 126 ILE G CB 1 ATOM 1505 C CG1 . ILE E 1 126 ? -19.239 46.953 -19.833 1.00 76.55 ? 126 ILE G CG1 1 ATOM 1506 C CG2 . ILE E 1 126 ? -18.538 44.521 -19.687 1.00 58.49 ? 126 ILE G CG2 1 ATOM 1507 C CD1 . ILE E 1 126 ? -20.587 46.680 -20.444 1.00 82.13 ? 126 ILE G CD1 1 ATOM 1508 N N . ASN E 1 127 ? -16.171 45.232 -17.521 1.00 46.07 ? 127 ASN G N 1 ATOM 1509 C CA . ASN E 1 127 ? -16.040 45.090 -16.065 1.00 54.81 ? 127 ASN G CA 1 ATOM 1510 C C . ASN E 1 127 ? -14.615 45.334 -15.552 1.00 67.44 ? 127 ASN G C 1 ATOM 1511 O O . ASN E 1 127 ? -14.297 44.975 -14.413 1.00 55.57 ? 127 ASN G O 1 ATOM 1512 C CB . ASN E 1 127 ? -16.470 43.689 -15.605 1.00 50.18 ? 127 ASN G CB 1 ATOM 1513 C CG . ASN E 1 127 ? -17.862 43.316 -16.060 1.00 55.79 ? 127 ASN G CG 1 ATOM 1514 O OD1 . ASN E 1 127 ? -18.789 44.121 -15.988 1.00 66.48 ? 127 ASN G OD1 1 ATOM 1515 N ND2 . ASN E 1 127 ? -18.017 42.086 -16.533 1.00 63.02 ? 127 ASN G ND2 1 ATOM 1516 N N . ASP E 1 128 ? -13.762 45.932 -16.382 1.00 49.72 ? 128 ASP G N 1 ATOM 1517 C CA . ASP E 1 128 ? -12.335 45.992 -16.086 1.00 41.04 ? 128 ASP G CA 1 ATOM 1518 C C . ASP E 1 128 ? -11.932 47.323 -15.465 1.00 45.17 ? 128 ASP G C 1 ATOM 1519 O O . ASP E 1 128 ? -11.936 48.352 -16.153 1.00 47.57 ? 128 ASP G O 1 ATOM 1520 C CB . ASP E 1 128 ? -11.518 45.743 -17.360 1.00 51.02 ? 128 ASP G CB 1 ATOM 1521 C CG . ASP E 1 128 ? -10.054 45.426 -17.064 1.00 51.79 ? 128 ASP G CG 1 ATOM 1522 O OD1 . ASP E 1 128 ? -9.631 45.560 -15.896 1.00 51.50 ? 128 ASP G OD1 1 ATOM 1523 O OD2 . ASP E 1 128 ? -9.325 45.046 -17.999 1.00 50.45 ? 128 ASP G OD2 1 ATOM 1524 N N . PRO E 1 129 ? -11.584 47.309 -14.163 1.00 43.32 ? 129 PRO G N 1 ATOM 1525 C CA . PRO E 1 129 ? -11.204 48.552 -13.483 1.00 41.02 ? 129 PRO G CA 1 ATOM 1526 C C . PRO E 1 129 ? -9.926 49.144 -14.043 1.00 31.76 ? 129 PRO G C 1 ATOM 1527 O O . PRO E 1 129 ? -9.747 50.367 -13.982 1.00 42.37 ? 129 PRO G O 1 ATOM 1528 C CB . PRO E 1 129 ? -11.019 48.123 -12.001 1.00 48.94 ? 129 PRO G CB 1 ATOM 1529 C CG . PRO E 1 129 ? -10.925 46.631 -12.013 1.00 40.89 ? 129 PRO G CG 1 ATOM 1530 C CD . PRO E 1 129 ? -11.734 46.184 -13.218 1.00 50.73 ? 129 PRO G CD 1 ATOM 1531 N N . LEU E 1 130 ? -9.060 48.306 -14.605 1.00 39.75 ? 130 LEU G N 1 ATOM 1532 C CA . LEU E 1 130 ? -7.864 48.815 -15.263 1.00 46.29 ? 130 LEU G CA 1 ATOM 1533 C C . LEU E 1 130 ? -8.232 49.737 -16.424 1.00 41.50 ? 130 LEU G C 1 ATOM 1534 O O . LEU E 1 130 ? -7.604 50.787 -16.613 1.00 38.88 ? 130 LEU G O 1 ATOM 1535 C CB . LEU E 1 130 ? -6.975 47.673 -15.756 1.00 44.20 ? 130 LEU G CB 1 ATOM 1536 C CG . LEU E 1 130 ? -5.725 48.134 -16.509 1.00 51.19 ? 130 LEU G CG 1 ATOM 1537 C CD1 . LEU E 1 130 ? -4.872 49.057 -15.640 1.00 49.41 ? 130 LEU G CD1 1 ATOM 1538 C CD2 . LEU E 1 130 ? -4.917 46.949 -16.989 1.00 47.19 ? 130 LEU G CD2 1 ATOM 1539 N N . LEU E 1 131 ? -9.255 49.369 -17.191 1.00 38.32 ? 131 LEU G N 1 ATOM 1540 C CA . LEU E 1 131 ? -9.652 50.196 -18.341 1.00 36.07 ? 131 LEU G CA 1 ATOM 1541 C C . LEU E 1 131 ? -10.295 51.497 -17.864 1.00 36.69 ? 131 LEU G C 1 ATOM 1542 O O . LEU E 1 131 ? -9.988 52.560 -18.394 1.00 36.83 ? 131 LEU G O 1 ATOM 1543 C CB . LEU E 1 131 ? -10.611 49.436 -19.277 1.00 37.75 ? 131 LEU G CB 1 ATOM 1544 C CG . LEU E 1 131 ? -11.026 50.101 -20.593 1.00 45.06 ? 131 LEU G CG 1 ATOM 1545 C CD1 . LEU E 1 131 ? -9.796 50.521 -21.389 1.00 37.07 ? 131 LEU G CD1 1 ATOM 1546 C CD2 . LEU E 1 131 ? -11.911 49.168 -21.417 1.00 41.82 ? 131 LEU G CD2 1 ATOM 1547 N N . MET E 1 132 ? -11.157 51.419 -16.845 1.00 32.71 ? 132 MET G N 1 ATOM 1548 C CA . MET E 1 132 ? -11.778 52.620 -16.272 1.00 37.42 ? 132 MET G CA 1 ATOM 1549 C C . MET E 1 132 ? -10.715 53.586 -15.763 1.00 39.54 ? 132 MET G C 1 ATOM 1550 O O . MET E 1 132 ? -10.807 54.793 -15.977 1.00 41.27 ? 132 MET G O 1 ATOM 1551 C CB . MET E 1 132 ? -12.744 52.267 -15.113 1.00 33.55 ? 132 MET G CB 1 ATOM 1552 C CG . MET E 1 132 ? -13.809 51.226 -15.448 1.00 51.66 ? 132 MET G CG 1 ATOM 1553 S SD . MET E 1 132 ? -14.667 51.546 -17.015 1.00 70.78 ? 132 MET G SD 1 ATOM 1554 C CE . MET E 1 132 ? -14.544 49.905 -17.749 1.00 40.75 ? 132 MET G CE 1 ATOM 1555 N N . SER E 1 133 ? -9.703 53.048 -15.087 1.00 38.43 ? 133 SER G N 1 ATOM 1556 C CA . SER E 1 133 ? -8.643 53.879 -14.507 1.00 35.66 ? 133 SER G CA 1 ATOM 1557 C C . SER E 1 133 ? -7.815 54.573 -15.599 1.00 31.14 ? 133 SER G C 1 ATOM 1558 O O . SER E 1 133 ? -7.553 55.787 -15.540 1.00 39.78 ? 133 SER G O 1 ATOM 1559 C CB . SER E 1 133 ? -7.750 53.019 -13.574 1.00 33.03 ? 133 SER G CB 1 ATOM 1560 O OG . SER E 1 133 ? -6.477 53.605 -13.394 1.00 51.37 ? 133 SER G OG 1 ATOM 1561 N N . ILE E 1 134 ? -7.423 53.825 -16.620 1.00 38.86 ? 134 ILE G N 1 ATOM 1562 C CA . ILE E 1 134 ? -6.745 54.444 -17.770 1.00 37.58 ? 134 ILE G CA 1 ATOM 1563 C C . ILE E 1 134 ? -7.594 55.583 -18.348 1.00 34.51 ? 134 ILE G C 1 ATOM 1564 O O . ILE E 1 134 ? -7.112 56.696 -18.555 1.00 35.96 ? 134 ILE G O 1 ATOM 1565 C CB . ILE E 1 134 ? -6.440 53.408 -18.854 1.00 45.26 ? 134 ILE G CB 1 ATOM 1566 C CG1 . ILE E 1 134 ? -5.379 52.430 -18.345 1.00 42.63 ? 134 ILE G CG1 1 ATOM 1567 C CG2 . ILE E 1 134 ? -6.000 54.076 -20.163 1.00 37.65 ? 134 ILE G CG2 1 ATOM 1568 C CD1 . ILE E 1 134 ? -5.234 51.174 -19.228 1.00 51.81 ? 134 ILE G CD1 1 ATOM 1569 N N . LEU E 1 135 ? -8.874 55.321 -18.561 1.00 35.23 ? 135 LEU G N 1 ATOM 1570 C CA . LEU E 1 135 ? -9.760 56.338 -19.116 1.00 39.28 ? 135 LEU G CA 1 ATOM 1571 C C . LEU E 1 135 ? -9.936 57.525 -18.176 1.00 41.79 ? 135 LEU G C 1 ATOM 1572 O O . LEU E 1 135 ? -9.857 58.678 -18.593 1.00 43.64 ? 135 LEU G O 1 ATOM 1573 C CB . LEU E 1 135 ? -11.115 55.716 -19.441 1.00 42.59 ? 135 LEU G CB 1 ATOM 1574 C CG . LEU E 1 135 ? -11.020 54.686 -20.562 1.00 50.19 ? 135 LEU G CG 1 ATOM 1575 C CD1 . LEU E 1 135 ? -12.318 53.897 -20.692 1.00 36.83 ? 135 LEU G CD1 1 ATOM 1576 C CD2 . LEU E 1 135 ? -10.613 55.381 -21.886 1.00 41.92 ? 135 LEU G CD2 1 ATOM 1577 N N . ASN E 1 136 ? -10.160 57.239 -16.896 1.00 42.54 ? 136 ASN G N 1 ATOM 1578 C CA . ASN E 1 136 ? -10.273 58.299 -15.909 1.00 39.69 ? 136 ASN G CA 1 ATOM 1579 C C . ASN E 1 136 ? -9.003 59.125 -15.799 1.00 43.57 ? 136 ASN G C 1 ATOM 1580 O O . ASN E 1 136 ? -9.064 60.360 -15.684 1.00 40.04 ? 136 ASN G O 1 ATOM 1581 C CB . ASN E 1 136 ? -10.644 57.711 -14.544 1.00 38.78 ? 136 ASN G CB 1 ATOM 1582 C CG . ASN E 1 136 ? -12.135 57.645 -14.333 1.00 59.56 ? 136 ASN G CG 1 ATOM 1583 O OD1 . ASN E 1 136 ? -12.653 58.212 -13.377 1.00 95.06 ? 136 ASN G OD1 1 ATOM 1584 N ND2 . ASN E 1 136 ? -12.843 56.983 -15.248 1.00 64.69 ? 136 ASN G ND2 1 ATOM 1585 N N . ARG E 1 137 ? -7.855 58.447 -15.836 1.00 38.75 ? 137 ARG G N 1 ATOM 1586 C CA . ARG E 1 137 ? -6.562 59.129 -15.783 1.00 40.65 ? 137 ARG G CA 1 ATOM 1587 C C . ARG E 1 137 ? -6.355 60.056 -16.993 1.00 38.12 ? 137 ARG G C 1 ATOM 1588 O O . ARG E 1 137 ? -5.779 61.146 -16.867 1.00 33.62 ? 137 ARG G O 1 ATOM 1589 C CB . ARG E 1 137 ? -5.429 58.097 -15.680 1.00 34.72 ? 137 ARG G CB 1 ATOM 1590 C CG . ARG E 1 137 ? -4.049 58.704 -15.477 1.00 47.86 ? 137 ARG G CG 1 ATOM 1591 C CD . ARG E 1 137 ? -3.090 57.717 -14.809 1.00 40.24 ? 137 ARG G CD 1 ATOM 1592 N NE . ARG E 1 137 ? -2.919 56.497 -15.592 1.00 50.59 ? 137 ARG G NE 1 ATOM 1593 C CZ . ARG E 1 137 ? -2.010 56.352 -16.553 1.00 48.24 ? 137 ARG G CZ 1 ATOM 1594 N NH1 . ARG E 1 137 ? -1.195 57.348 -16.844 1.00 33.81 ? 137 ARG G NH1 1 ATOM 1595 N NH2 . ARG E 1 137 ? -1.914 55.216 -17.223 1.00 48.88 ? 137 ARG G NH2 1 ATOM 1596 N N . LEU E 1 138 ? -6.841 59.650 -18.164 1.00 38.53 ? 138 LEU G N 1 ATOM 1597 C CA . LEU E 1 138 ? -6.771 60.525 -19.344 1.00 35.05 ? 138 LEU G CA 1 ATOM 1598 C C . LEU E 1 138 ? -7.530 61.842 -19.129 1.00 32.43 ? 138 LEU G C 1 ATOM 1599 O O . LEU E 1 138 ? -7.016 62.930 -19.415 1.00 36.67 ? 138 LEU G O 1 ATOM 1600 C CB . LEU E 1 138 ? -7.325 59.815 -20.596 1.00 45.78 ? 138 LEU G CB 1 ATOM 1601 C CG . LEU E 1 138 ? -7.525 60.722 -21.821 1.00 43.21 ? 138 LEU G CG 1 ATOM 1602 C CD1 . LEU E 1 138 ? -6.219 61.387 -22.184 1.00 40.75 ? 138 LEU G CD1 1 ATOM 1603 C CD2 . LEU E 1 138 ? -8.146 59.985 -23.057 1.00 37.13 ? 138 LEU G CD2 1 ATOM 1604 N N . GLN E 1 139 ? -8.763 61.745 -18.647 1.00 34.65 ? 139 GLN G N 1 ATOM 1605 C CA . GLN E 1 139 ? -9.570 62.930 -18.347 1.00 44.35 ? 139 GLN G CA 1 ATOM 1606 C C . GLN E 1 139 ? -8.895 63.838 -17.308 1.00 43.62 ? 139 GLN G C 1 ATOM 1607 O O . GLN E 1 139 ? -8.839 65.066 -17.456 1.00 40.60 ? 139 GLN G O 1 ATOM 1608 C CB . GLN E 1 139 ? -10.955 62.497 -17.853 1.00 40.59 ? 139 GLN G CB 1 ATOM 1609 C CG . GLN E 1 139 ? -11.931 63.634 -17.561 1.00 44.86 ? 139 GLN G CG 1 ATOM 1610 C CD . GLN E 1 139 ? -13.331 63.116 -17.247 1.00 56.56 ? 139 GLN G CD 1 ATOM 1611 O OE1 . GLN E 1 139 ? -13.507 61.952 -16.887 1.00 49.48 ? 139 GLN G OE1 1 ATOM 1612 N NE2 . GLN E 1 139 ? -14.330 63.974 -17.399 1.00 46.17 ? 139 GLN G NE2 1 ATOM 1613 N N . PHE E 1 140 ? -8.388 63.217 -16.251 1.00 39.70 ? 140 PHE G N 1 ATOM 1614 C CA . PHE E 1 140 ? -7.663 63.928 -15.203 1.00 38.55 ? 140 PHE G CA 1 ATOM 1615 C C . PHE E 1 140 ? -6.480 64.694 -15.800 1.00 36.17 ? 140 PHE G C 1 ATOM 1616 O O . PHE E 1 140 ? -6.300 65.890 -15.537 1.00 39.09 ? 140 PHE G O 1 ATOM 1617 C CB . PHE E 1 140 ? -7.233 62.915 -14.126 1.00 42.65 ? 140 PHE G CB 1 ATOM 1618 C CG . PHE E 1 140 ? -6.120 63.377 -13.231 1.00 51.30 ? 140 PHE G CG 1 ATOM 1619 C CD1 . PHE E 1 140 ? -6.345 64.327 -12.248 1.00 50.94 ? 140 PHE G CD1 1 ATOM 1620 C CD2 . PHE E 1 140 ? -4.861 62.805 -13.326 1.00 38.18 ? 140 PHE G CD2 1 ATOM 1621 C CE1 . PHE E 1 140 ? -5.323 64.738 -11.409 1.00 49.78 ? 140 PHE G CE1 1 ATOM 1622 C CE2 . PHE E 1 140 ? -3.824 63.209 -12.476 1.00 39.21 ? 140 PHE G CE2 1 ATOM 1623 C CZ . PHE E 1 140 ? -4.062 64.179 -11.516 1.00 43.07 ? 140 PHE G CZ 1 ATOM 1624 N N . ASN E 1 141 ? -5.704 64.037 -16.657 1.00 32.12 ? 141 ASN G N 1 ATOM 1625 C CA . ASN E 1 141 ? -4.576 64.720 -17.286 1.00 42.90 ? 141 ASN G CA 1 ATOM 1626 C C . ASN E 1 141 ? -4.994 65.857 -18.188 1.00 40.92 ? 141 ASN G C 1 ATOM 1627 O O . ASN E 1 141 ? -4.429 66.955 -18.102 1.00 41.37 ? 141 ASN G O 1 ATOM 1628 C CB . ASN E 1 141 ? -3.718 63.719 -18.054 1.00 37.82 ? 141 ASN G CB 1 ATOM 1629 C CG . ASN E 1 141 ? -2.788 62.955 -17.129 1.00 43.80 ? 141 ASN G CG 1 ATOM 1630 O OD1 . ASN E 1 141 ? -2.123 63.557 -16.299 1.00 39.16 ? 141 ASN G OD1 1 ATOM 1631 N ND2 . ASN E 1 141 ? -2.779 61.641 -17.231 1.00 34.62 ? 141 ASN G ND2 1 ATOM 1632 N N . LEU E 1 142 ? -5.996 65.609 -19.029 1.00 42.08 ? 142 LEU G N 1 ATOM 1633 C CA . LEU E 1 142 ? -6.499 66.633 -19.941 1.00 42.97 ? 142 LEU G CA 1 ATOM 1634 C C . LEU E 1 142 ? -7.030 67.832 -19.179 1.00 40.81 ? 142 LEU G C 1 ATOM 1635 O O . LEU E 1 142 ? -6.730 68.971 -19.535 1.00 46.10 ? 142 LEU G O 1 ATOM 1636 C CB . LEU E 1 142 ? -7.591 66.065 -20.855 1.00 38.05 ? 142 LEU G CB 1 ATOM 1637 C CG . LEU E 1 142 ? -6.988 65.076 -21.849 1.00 44.56 ? 142 LEU G CG 1 ATOM 1638 C CD1 . LEU E 1 142 ? -8.041 64.370 -22.685 1.00 52.51 ? 142 LEU G CD1 1 ATOM 1639 C CD2 . LEU E 1 142 ? -6.007 65.827 -22.733 1.00 47.31 ? 142 LEU G CD2 1 ATOM 1640 N N . ASN E 1 143 ? -7.795 67.594 -18.116 1.00 34.60 ? 143 ASN G N 1 ATOM 1641 C CA . ASN E 1 143 ? -8.314 68.725 -17.351 1.00 41.90 ? 143 ASN G CA 1 ATOM 1642 C C . ASN E 1 143 ? -7.184 69.554 -16.743 1.00 41.76 ? 143 ASN G C 1 ATOM 1643 O O . ASN E 1 143 ? -7.153 70.775 -16.886 1.00 48.36 ? 143 ASN G O 1 ATOM 1644 C CB . ASN E 1 143 ? -9.291 68.251 -16.265 1.00 38.45 ? 143 ASN G CB 1 ATOM 1645 C CG . ASN E 1 143 ? -10.675 67.931 -16.828 1.00 45.49 ? 143 ASN G CG 1 ATOM 1646 O OD1 . ASN E 1 143 ? -11.125 68.560 -17.779 1.00 51.27 ? 143 ASN G OD1 1 ATOM 1647 N ND2 . ASN E 1 143 ? -11.343 66.948 -16.251 1.00 44.37 ? 143 ASN G ND2 1 ATOM 1648 N N . ASN E 1 144 ? -6.242 68.895 -16.082 1.00 41.34 ? 144 ASN G N 1 ATOM 1649 C CA . ASN E 1 144 ? -5.116 69.615 -15.488 1.00 38.46 ? 144 ASN G CA 1 ATOM 1650 C C . ASN E 1 144 ? -4.242 70.306 -16.534 1.00 43.22 ? 144 ASN G C 1 ATOM 1651 O O . ASN E 1 144 ? -3.822 71.442 -16.340 1.00 47.23 ? 144 ASN G O 1 ATOM 1652 C CB . ASN E 1 144 ? -4.287 68.660 -14.640 1.00 48.78 ? 144 ASN G CB 1 ATOM 1653 C CG . ASN E 1 144 ? -4.954 68.348 -13.317 1.00 49.12 ? 144 ASN G CG 1 ATOM 1654 O OD1 . ASN E 1 144 ? -4.694 69.009 -12.321 1.00 58.85 ? 144 ASN G OD1 1 ATOM 1655 N ND2 . ASN E 1 144 ? -5.837 67.355 -13.309 1.00 49.43 ? 144 ASN G ND2 1 ATOM 1656 N N . ASP E 1 145 ? -3.990 69.638 -17.658 1.00 37.77 ? 145 ASP G N 1 ATOM 1657 C CA . ASP E 1 145 ? -3.240 70.275 -18.737 1.00 46.96 ? 145 ASP G CA 1 ATOM 1658 C C . ASP E 1 145 ? -3.901 71.567 -19.202 1.00 57.94 ? 145 ASP G C 1 ATOM 1659 O O . ASP E 1 145 ? -3.257 72.612 -19.301 1.00 52.94 ? 145 ASP G O 1 ATOM 1660 C CB . ASP E 1 145 ? -3.088 69.326 -19.926 1.00 45.49 ? 145 ASP G CB 1 ATOM 1661 C CG . ASP E 1 145 ? -2.098 68.219 -19.662 1.00 67.44 ? 145 ASP G CG 1 ATOM 1662 O OD1 . ASP E 1 145 ? -1.271 68.377 -18.734 1.00 62.81 ? 145 ASP G OD1 1 ATOM 1663 O OD2 . ASP E 1 145 ? -2.143 67.198 -20.387 1.00 62.87 ? 145 ASP G OD2 1 ATOM 1664 N N . ILE E 1 146 ? -5.195 71.485 -19.486 1.00 61.95 ? 146 ILE G N 1 ATOM 1665 C CA . ILE E 1 146 ? -5.948 72.622 -20.003 1.00 48.57 ? 146 ILE G CA 1 ATOM 1666 C C . ILE E 1 146 ? -5.953 73.791 -19.019 1.00 51.52 ? 146 ILE G C 1 ATOM 1667 O O . ILE E 1 146 ? -5.772 74.936 -19.425 1.00 56.34 ? 146 ILE G O 1 ATOM 1668 C CB . ILE E 1 146 ? -7.392 72.195 -20.353 1.00 63.56 ? 146 ILE G CB 1 ATOM 1669 C CG1 . ILE E 1 146 ? -7.374 71.345 -21.631 1.00 56.61 ? 146 ILE G CG1 1 ATOM 1670 C CG2 . ILE E 1 146 ? -8.296 73.405 -20.520 1.00 52.47 ? 146 ILE G CG2 1 ATOM 1671 C CD1 . ILE E 1 146 ? -8.638 70.551 -21.867 1.00 53.78 ? 146 ILE G CD1 1 ATOM 1672 N N . GLN E 1 147 ? -6.126 73.502 -17.726 1.00 40.80 ? 147 GLN G N 1 ATOM 1673 C CA . GLN E 1 147 ? -6.083 74.541 -16.703 1.00 53.29 ? 147 GLN G CA 1 ATOM 1674 C C . GLN E 1 147 ? -4.709 75.231 -16.624 1.00 68.90 ? 147 GLN G C 1 ATOM 1675 O O . GLN E 1 147 ? -4.625 76.404 -16.262 1.00 79.70 ? 147 GLN G O 1 ATOM 1676 C CB . GLN E 1 147 ? -6.484 73.955 -15.333 1.00 49.37 ? 147 GLN G CB 1 ATOM 1677 C CG . GLN E 1 147 ? -7.999 73.769 -15.191 1.00 90.06 ? 147 GLN G CG 1 ATOM 1678 C CD . GLN E 1 147 ? -8.407 72.630 -14.263 1.00 101.03 ? 147 GLN G CD 1 ATOM 1679 O OE1 . GLN E 1 147 ? -7.613 72.147 -13.453 1.00 91.90 ? 147 GLN G OE1 1 ATOM 1680 N NE2 . GLN E 1 147 ? -9.662 72.193 -14.385 1.00 82.01 ? 147 GLN G NE2 1 ATOM 1681 N N . LEU E 1 148 ? -3.639 74.513 -16.965 1.00 71.78 ? 148 LEU G N 1 ATOM 1682 C CA . LEU E 1 148 ? -2.304 75.118 -17.079 1.00 59.66 ? 148 LEU G CA 1 ATOM 1683 C C . LEU E 1 148 ? -2.178 75.961 -18.351 1.00 70.26 ? 148 LEU G C 1 ATOM 1684 O O . LEU E 1 148 ? -1.649 77.069 -18.320 1.00 69.89 ? 148 LEU G O 1 ATOM 1685 C CB . LEU E 1 148 ? -1.208 74.044 -17.089 1.00 58.17 ? 148 LEU G CB 1 ATOM 1686 C CG . LEU E 1 148 ? -0.424 73.613 -15.851 1.00 66.07 ? 148 LEU G CG 1 ATOM 1687 C CD1 . LEU E 1 148 ? 0.732 72.736 -16.309 1.00 54.11 ? 148 LEU G CD1 1 ATOM 1688 C CD2 . LEU E 1 148 ? 0.092 74.798 -15.060 1.00 53.04 ? 148 LEU G CD2 1 ATOM 1689 N N . LYS E 1 149 ? -2.653 75.414 -19.470 1.00 53.06 ? 149 LYS G N 1 ATOM 1690 C CA . LYS E 1 149 ? -2.551 76.083 -20.765 1.00 68.74 ? 149 LYS G CA 1 ATOM 1691 C C . LYS E 1 149 ? -3.243 77.444 -20.795 1.00 84.64 ? 149 LYS G C 1 ATOM 1692 O O . LYS E 1 149 ? -2.981 78.250 -21.684 1.00 85.32 ? 149 LYS G O 1 ATOM 1693 C CB . LYS E 1 149 ? -3.149 75.217 -21.879 1.00 67.01 ? 149 LYS G CB 1 ATOM 1694 C CG . LYS E 1 149 ? -2.491 73.861 -22.122 1.00 73.43 ? 149 LYS G CG 1 ATOM 1695 C CD . LYS E 1 149 ? -3.136 73.166 -23.336 1.00 64.18 ? 149 LYS G CD 1 ATOM 1696 C CE . LYS E 1 149 ? -2.759 71.691 -23.436 1.00 56.75 ? 149 LYS G CE 1 ATOM 1697 N NZ . LYS E 1 149 ? -1.322 71.476 -23.778 1.00 72.14 ? 149 LYS G NZ 1 ATOM 1698 N N . THR E 1 150 ? -4.135 77.697 -19.840 1.00 80.55 ? 150 THR G N 1 ATOM 1699 C CA . THR E 1 150 ? -4.951 78.907 -19.886 1.00 87.00 ? 150 THR G CA 1 ATOM 1700 C C . THR E 1 150 ? -4.698 79.842 -18.708 1.00 95.03 ? 150 THR G C 1 ATOM 1701 O O . THR E 1 150 ? -4.869 81.056 -18.825 1.00 115.31 ? 150 THR G O 1 ATOM 1702 C CB . THR E 1 150 ? -6.455 78.567 -19.931 1.00 88.89 ? 150 THR G CB 1 ATOM 1703 O OG1 . THR E 1 150 ? -6.876 78.065 -18.656 1.00 94.30 ? 150 THR G OG1 1 ATOM 1704 C CG2 . THR E 1 150 ? -6.737 77.529 -21.010 1.00 74.45 ? 150 THR G CG2 1 ATOM 1705 N N . GLU E 1 151 ? -4.296 79.283 -17.574 1.00 96.70 ? 151 GLU G N 1 ATOM 1706 C CA . GLU E 1 151 ? -3.981 80.098 -16.407 1.00 97.31 ? 151 GLU G CA 1 ATOM 1707 C C . GLU E 1 151 ? -2.478 80.317 -16.290 1.00 106.25 ? 151 GLU G C 1 ATOM 1708 O O . GLU E 1 151 ? -2.023 81.409 -15.943 1.00 112.45 ? 151 GLU G O 1 ATOM 1709 C CB . GLU E 1 151 ? -4.523 79.450 -15.134 1.00 108.03 ? 151 GLU G CB 1 ATOM 1710 C CG . GLU E 1 151 ? -4.273 80.267 -13.879 1.00 112.61 ? 151 GLU G CG 1 ATOM 1711 C CD . GLU E 1 151 ? -5.224 79.909 -12.760 1.00 110.33 ? 151 GLU G CD 1 ATOM 1712 O OE1 . GLU E 1 151 ? -6.083 79.026 -12.972 1.00 101.50 ? 151 GLU G OE1 1 ATOM 1713 O OE2 . GLU E 1 151 ? -5.117 80.514 -11.672 1.00 117.93 ? 151 GLU G OE2 1 ATOM 1714 N N . GLY E 1 152 ? -1.713 79.270 -16.585 1.00 103.58 ? 152 GLY G N 1 ATOM 1715 C CA . GLY E 1 152 ? -0.265 79.345 -16.545 1.00 82.72 ? 152 GLY G CA 1 ATOM 1716 C C . GLY E 1 152 ? 0.317 79.743 -17.886 1.00 83.29 ? 152 GLY G C 1 ATOM 1717 O O . GLY E 1 152 ? 1.373 80.372 -17.951 1.00 82.94 ? 152 GLY G O 1 ATOM 1718 N N . MET F 1 161 ? -1.133 74.628 -26.689 1.00 104.87 ? 161 MET H N 1 ATOM 1719 C CA . MET F 1 161 ? -2.542 74.898 -26.954 1.00 91.98 ? 161 MET H CA 1 ATOM 1720 C C . MET F 1 161 ? -3.262 73.672 -27.513 1.00 84.40 ? 161 MET H C 1 ATOM 1721 O O . MET F 1 161 ? -4.471 73.710 -27.745 1.00 104.00 ? 161 MET H O 1 ATOM 1722 C CB . MET F 1 161 ? -2.686 76.082 -27.918 1.00 84.57 ? 161 MET H CB 1 ATOM 1723 C CG . MET F 1 161 ? -1.733 76.047 -29.101 1.00 97.09 ? 161 MET H CG 1 ATOM 1724 S SD . MET F 1 161 ? -1.786 77.551 -30.098 1.00 136.21 ? 161 MET H SD 1 ATOM 1725 C CE . MET F 1 161 ? -3.408 77.426 -30.843 1.00 101.94 ? 161 MET H CE 1 ATOM 1726 N N . LYS F 1 162 ? -2.521 72.585 -27.717 1.00 72.75 ? 162 LYS H N 1 ATOM 1727 C CA . LYS F 1 162 ? -3.100 71.339 -28.215 1.00 58.59 ? 162 LYS H CA 1 ATOM 1728 C C . LYS F 1 162 ? -2.925 70.191 -27.214 1.00 55.06 ? 162 LYS H C 1 ATOM 1729 O O . LYS F 1 162 ? -2.093 70.263 -26.313 1.00 57.61 ? 162 LYS H O 1 ATOM 1730 C CB . LYS F 1 162 ? -2.469 70.953 -29.553 1.00 58.32 ? 162 LYS H CB 1 ATOM 1731 C CG . LYS F 1 162 ? -2.349 72.092 -30.545 1.00 69.07 ? 162 LYS H CG 1 ATOM 1732 C CD . LYS F 1 162 ? -1.519 71.669 -31.755 1.00 84.55 ? 162 LYS H CD 1 ATOM 1733 C CE . LYS F 1 162 ? -0.105 71.269 -31.342 1.00 94.59 ? 162 LYS H CE 1 ATOM 1734 N NZ . LYS F 1 162 ? 0.721 70.790 -32.490 1.00 95.49 ? 162 LYS H NZ 1 ATOM 1735 N N . ILE F 1 163 ? -3.698 69.123 -27.386 1.00 49.73 ? 163 ILE H N 1 ATOM 1736 C CA . ILE F 1 163 ? -3.624 67.979 -26.484 1.00 46.75 ? 163 ILE H CA 1 ATOM 1737 C C . ILE F 1 163 ? -3.083 66.723 -27.179 1.00 43.69 ? 163 ILE H C 1 ATOM 1738 O O . ILE F 1 163 ? -3.079 65.636 -26.596 1.00 47.87 ? 163 ILE H O 1 ATOM 1739 C CB . ILE F 1 163 ? -5.010 67.682 -25.834 1.00 45.35 ? 163 ILE H CB 1 ATOM 1740 C CG1 . ILE F 1 163 ? -6.142 67.740 -26.859 1.00 49.49 ? 163 ILE H CG1 1 ATOM 1741 C CG2 . ILE F 1 163 ? -5.316 68.711 -24.762 1.00 45.34 ? 163 ILE H CG2 1 ATOM 1742 C CD1 . ILE F 1 163 ? -6.143 66.613 -27.875 1.00 49.47 ? 163 ILE H CD1 1 ATOM 1743 N N . ASN F 1 164 ? -2.597 66.889 -28.406 1.00 43.64 ? 164 ASN H N 1 ATOM 1744 C CA . ASN F 1 164 ? -2.067 65.787 -29.214 1.00 41.83 ? 164 ASN H CA 1 ATOM 1745 C C . ASN F 1 164 ? -1.061 64.907 -28.487 1.00 44.28 ? 164 ASN H C 1 ATOM 1746 O O . ASN F 1 164 ? -1.118 63.679 -28.570 1.00 52.46 ? 164 ASN H O 1 ATOM 1747 C CB . ASN F 1 164 ? -1.386 66.326 -30.481 1.00 47.57 ? 164 ASN H CB 1 ATOM 1748 C CG . ASN F 1 164 ? -2.306 67.169 -31.343 1.00 54.23 ? 164 ASN H CG 1 ATOM 1749 O OD1 . ASN F 1 164 ? -3.319 67.696 -30.883 1.00 53.88 ? 164 ASN H OD1 1 ATOM 1750 N ND2 . ASN F 1 164 ? -1.943 67.310 -32.611 1.00 56.71 ? 164 ASN H ND2 1 ATOM 1751 N N . LEU F 1 165 ? -0.119 65.548 -27.803 1.00 53.25 ? 165 LEU H N 1 ATOM 1752 C CA . LEU F 1 165 ? 0.899 64.835 -27.035 1.00 56.02 ? 165 LEU H CA 1 ATOM 1753 C C . LEU F 1 165 ? 0.255 63.903 -26.019 1.00 40.96 ? 165 LEU H C 1 ATOM 1754 O O . LEU F 1 165 ? 0.622 62.731 -25.911 1.00 43.00 ? 165 LEU H O 1 ATOM 1755 C CB . LEU F 1 165 ? 1.820 65.824 -26.324 1.00 65.02 ? 165 LEU H CB 1 ATOM 1756 C CG . LEU F 1 165 ? 3.273 65.394 -26.156 1.00 71.82 ? 165 LEU H CG 1 ATOM 1757 C CD1 . LEU F 1 165 ? 3.899 65.251 -27.534 1.00 72.84 ? 165 LEU H CD1 1 ATOM 1758 C CD2 . LEU F 1 165 ? 4.048 66.394 -25.295 1.00 61.67 ? 165 LEU H CD2 1 ATOM 1759 N N . ARG F 1 166 ? -0.721 64.428 -25.288 1.00 41.35 ? 166 ARG H N 1 ATOM 1760 C CA . ARG F 1 166 ? -1.418 63.630 -24.278 1.00 48.26 ? 166 ARG H CA 1 ATOM 1761 C C . ARG F 1 166 ? -2.196 62.474 -24.928 1.00 50.30 ? 166 ARG H C 1 ATOM 1762 O O . ARG F 1 166 ? -2.249 61.382 -24.365 1.00 44.18 ? 166 ARG H O 1 ATOM 1763 C CB . ARG F 1 166 ? -2.342 64.526 -23.436 1.00 44.26 ? 166 ARG H CB 1 ATOM 1764 C CG . ARG F 1 166 ? -2.849 63.909 -22.120 1.00 64.16 ? 166 ARG H CG 1 ATOM 1765 C CD . ARG F 1 166 ? -1.739 63.644 -21.078 1.00 57.29 ? 166 ARG H CD 1 ATOM 1766 N NE . ARG F 1 166 ? -1.314 64.845 -20.351 1.00 59.66 ? 166 ARG H NE 1 ATOM 1767 C CZ . ARG F 1 166 ? -0.361 64.857 -19.415 1.00 58.98 ? 166 ARG H CZ 1 ATOM 1768 N NH1 . ARG F 1 166 ? 0.267 63.736 -19.089 1.00 48.66 ? 166 ARG H NH1 1 ATOM 1769 N NH2 . ARG F 1 166 ? -0.025 65.985 -18.804 1.00 49.72 ? 166 ARG H NH2 1 ATOM 1770 N N . LEU F 1 167 ? -2.755 62.675 -26.125 1.00 47.58 ? 167 LEU H N 1 ATOM 1771 C CA . LEU F 1 167 ? -3.466 61.575 -26.800 1.00 44.26 ? 167 LEU H CA 1 ATOM 1772 C C . LEU F 1 167 ? -2.506 60.526 -27.356 1.00 41.10 ? 167 LEU H C 1 ATOM 1773 O O . LEU F 1 167 ? -2.824 59.334 -27.390 1.00 41.04 ? 167 LEU H O 1 ATOM 1774 C CB . LEU F 1 167 ? -4.361 62.091 -27.936 1.00 41.07 ? 167 LEU H CB 1 ATOM 1775 C CG . LEU F 1 167 ? -5.693 62.723 -27.539 1.00 45.07 ? 167 LEU H CG 1 ATOM 1776 C CD1 . LEU F 1 167 ? -6.680 62.735 -28.727 1.00 41.54 ? 167 LEU H CD1 1 ATOM 1777 C CD2 . LEU F 1 167 ? -6.305 62.009 -26.318 1.00 43.91 ? 167 LEU H CD2 1 ATOM 1778 N N . GLU F 1 168 ? -1.339 60.972 -27.804 1.00 35.35 ? 168 GLU H N 1 ATOM 1779 C CA . GLU F 1 168 ? -0.284 60.061 -28.243 1.00 45.62 ? 168 GLU H CA 1 ATOM 1780 C C . GLU F 1 168 ? 0.139 59.140 -27.102 1.00 40.51 ? 168 GLU H C 1 ATOM 1781 O O . GLU F 1 168 ? 0.283 57.927 -27.270 1.00 46.44 ? 168 GLU H O 1 ATOM 1782 C CB . GLU F 1 168 ? 0.927 60.854 -28.758 1.00 46.54 ? 168 GLU H CB 1 ATOM 1783 C CG . GLU F 1 168 ? 2.010 59.989 -29.385 1.00 64.99 ? 168 GLU H CG 1 ATOM 1784 C CD . GLU F 1 168 ? 3.156 60.802 -29.964 1.00 85.56 ? 168 GLU H CD 1 ATOM 1785 O OE1 . GLU F 1 168 ? 3.115 62.049 -29.878 1.00 81.97 ? 168 GLU H OE1 1 ATOM 1786 O OE2 . GLU F 1 168 ? 4.100 60.190 -30.509 1.00 96.64 ? 168 GLU H OE2 1 ATOM 1787 N N . GLN F 1 169 ? 0.320 59.733 -25.931 1.00 44.53 ? 169 GLN H N 1 ATOM 1788 C CA . GLN F 1 169 ? 0.609 58.981 -24.714 1.00 47.33 ? 169 GLN H CA 1 ATOM 1789 C C . GLN F 1 169 ? -0.520 57.998 -24.395 1.00 43.92 ? 169 GLN H C 1 ATOM 1790 O O . GLN F 1 169 ? -0.273 56.842 -24.050 1.00 38.12 ? 169 GLN H O 1 ATOM 1791 C CB . GLN F 1 169 ? 0.836 59.956 -23.559 1.00 51.96 ? 169 GLN H CB 1 ATOM 1792 C CG . GLN F 1 169 ? 1.036 59.305 -22.203 1.00 62.99 ? 169 GLN H CG 1 ATOM 1793 C CD . GLN F 1 169 ? 2.362 58.589 -22.079 1.00 73.08 ? 169 GLN H CD 1 ATOM 1794 O OE1 . GLN F 1 169 ? 3.414 59.146 -22.389 1.00 79.64 ? 169 GLN H OE1 1 ATOM 1795 N NE2 . GLN F 1 169 ? 2.319 57.340 -21.623 1.00 61.67 ? 169 GLN H NE2 1 ATOM 1796 N N . PHE F 1 170 ? -1.765 58.443 -24.546 1.00 44.24 ? 170 PHE H N 1 ATOM 1797 C CA . PHE F 1 170 ? -2.906 57.550 -24.327 1.00 40.98 ? 170 PHE H CA 1 ATOM 1798 C C . PHE F 1 170 ? -2.955 56.372 -25.311 1.00 43.98 ? 170 PHE H C 1 ATOM 1799 O O . PHE F 1 170 ? -3.288 55.240 -24.922 1.00 40.47 ? 170 PHE H O 1 ATOM 1800 C CB . PHE F 1 170 ? -4.220 58.330 -24.395 1.00 41.55 ? 170 PHE H CB 1 ATOM 1801 C CG . PHE F 1 170 ? -5.434 57.457 -24.309 1.00 36.94 ? 170 PHE H CG 1 ATOM 1802 C CD1 . PHE F 1 170 ? -5.818 56.911 -23.100 1.00 45.38 ? 170 PHE H CD1 1 ATOM 1803 C CD2 . PHE F 1 170 ? -6.174 57.156 -25.440 1.00 36.08 ? 170 PHE H CD2 1 ATOM 1804 C CE1 . PHE F 1 170 ? -6.925 56.090 -23.005 1.00 45.83 ? 170 PHE H CE1 1 ATOM 1805 C CE2 . PHE F 1 170 ? -7.290 56.335 -25.350 1.00 42.57 ? 170 PHE H CE2 1 ATOM 1806 C CZ . PHE F 1 170 ? -7.667 55.802 -24.129 1.00 42.90 ? 170 PHE H CZ 1 ATOM 1807 N N . LYS F 1 171 ? -2.620 56.629 -26.576 1.00 45.87 ? 171 LYS H N 1 ATOM 1808 C CA . LYS F 1 171 ? -2.572 55.565 -27.581 1.00 42.17 ? 171 LYS H CA 1 ATOM 1809 C C . LYS F 1 171 ? -1.586 54.455 -27.204 1.00 35.55 ? 171 LYS H C 1 ATOM 1810 O O . LYS F 1 171 ? -1.883 53.271 -27.382 1.00 46.75 ? 171 LYS H O 1 ATOM 1811 C CB . LYS F 1 171 ? -2.205 56.138 -28.962 1.00 41.34 ? 171 LYS H CB 1 ATOM 1812 C CG . LYS F 1 171 ? -3.226 57.146 -29.494 1.00 60.00 ? 171 LYS H CG 1 ATOM 1813 C CD . LYS F 1 171 ? -2.775 57.813 -30.797 1.00 65.62 ? 171 LYS H CD 1 ATOM 1814 C CE . LYS F 1 171 ? -3.628 59.042 -31.098 1.00 69.20 ? 171 LYS H CE 1 ATOM 1815 N NZ . LYS F 1 171 ? -3.082 59.911 -32.186 1.00 58.19 ? 171 LYS H NZ 1 ATOM 1816 N N . LYS F 1 172 ? -0.410 54.828 -26.705 1.00 36.17 ? 172 LYS H N 1 ATOM 1817 C CA . LYS F 1 172 ? 0.564 53.831 -26.251 1.00 37.08 ? 172 LYS H CA 1 ATOM 1818 C C . LYS F 1 172 ? 0.032 53.001 -25.093 1.00 42.17 ? 172 LYS H C 1 ATOM 1819 O O . LYS F 1 172 ? 0.236 51.783 -25.042 1.00 41.21 ? 172 LYS H O 1 ATOM 1820 C CB . LYS F 1 172 ? 1.876 54.495 -25.824 1.00 42.53 ? 172 LYS H CB 1 ATOM 1821 C CG . LYS F 1 172 ? 2.575 55.318 -26.888 1.00 62.60 ? 172 LYS H CG 1 ATOM 1822 C CD . LYS F 1 172 ? 3.879 55.873 -26.336 1.00 72.70 ? 172 LYS H CD 1 ATOM 1823 C CE . LYS F 1 172 ? 4.649 56.633 -27.398 1.00 85.86 ? 172 LYS H CE 1 ATOM 1824 N NZ . LYS F 1 172 ? 4.967 55.763 -28.566 1.00 96.63 ? 172 LYS H NZ 1 ATOM 1825 N N . GLU F 1 173 ? -0.641 53.657 -24.150 1.00 45.39 ? 173 GLU H N 1 ATOM 1826 C CA . GLU F 1 173 ? -1.254 52.942 -23.031 1.00 38.02 ? 173 GLU H CA 1 ATOM 1827 C C . GLU F 1 173 ? -2.317 51.967 -23.497 1.00 41.52 ? 173 GLU H C 1 ATOM 1828 O O . GLU F 1 173 ? -2.379 50.830 -23.023 1.00 43.44 ? 173 GLU H O 1 ATOM 1829 C CB . GLU F 1 173 ? -1.881 53.918 -22.040 1.00 39.61 ? 173 GLU H CB 1 ATOM 1830 C CG . GLU F 1 173 ? -0.939 54.975 -21.536 1.00 50.86 ? 173 GLU H CG 1 ATOM 1831 C CD . GLU F 1 173 ? -1.628 55.912 -20.569 1.00 61.61 ? 173 GLU H CD 1 ATOM 1832 O OE1 . GLU F 1 173 ? -2.872 55.864 -20.497 1.00 59.65 ? 173 GLU H OE1 1 ATOM 1833 O OE2 . GLU F 1 173 ? -0.938 56.683 -19.877 1.00 59.38 ? 173 GLU H OE2 1 ATOM 1834 N N . LEU F 1 174 ? -3.170 52.409 -24.423 1.00 40.25 ? 174 LEU H N 1 ATOM 1835 C CA . LEU F 1 174 ? -4.232 51.535 -24.912 1.00 42.89 ? 174 LEU H CA 1 ATOM 1836 C C . LEU F 1 174 ? -3.642 50.289 -25.582 1.00 32.78 ? 174 LEU H C 1 ATOM 1837 O O . LEU F 1 174 ? -4.157 49.186 -25.421 1.00 46.52 ? 174 LEU H O 1 ATOM 1838 C CB . LEU F 1 174 ? -5.151 52.289 -25.879 1.00 48.76 ? 174 LEU H CB 1 ATOM 1839 C CG . LEU F 1 174 ? -6.525 51.690 -26.177 1.00 53.23 ? 174 LEU H CG 1 ATOM 1840 C CD1 . LEU F 1 174 ? -7.339 51.436 -24.893 1.00 40.12 ? 174 LEU H CD1 1 ATOM 1841 C CD2 . LEU F 1 174 ? -7.298 52.591 -27.151 1.00 53.55 ? 174 LEU H CD2 1 ATOM 1842 N N . VAL F 1 175 ? -2.551 50.459 -26.322 1.00 40.50 ? 175 VAL H N 1 ATOM 1843 C CA . VAL F 1 175 ? -1.841 49.319 -26.921 1.00 40.60 ? 175 VAL H CA 1 ATOM 1844 C C . VAL F 1 175 ? -1.338 48.325 -25.868 1.00 42.53 ? 175 VAL H C 1 ATOM 1845 O O . VAL F 1 175 ? -1.531 47.108 -25.988 1.00 43.61 ? 175 VAL H O 1 ATOM 1846 C CB . VAL F 1 175 ? -0.642 49.803 -27.773 1.00 64.52 ? 175 VAL H CB 1 ATOM 1847 C CG1 . VAL F 1 175 ? 0.306 48.650 -28.092 1.00 44.16 ? 175 VAL H CG1 1 ATOM 1848 C CG2 . VAL F 1 175 ? -1.142 50.482 -29.047 1.00 46.44 ? 175 VAL H CG2 1 ATOM 1849 N N . LEU F 1 176 ? -0.693 48.843 -24.833 1.00 39.92 ? 176 LEU H N 1 ATOM 1850 C CA . LEU F 1 176 ? -0.255 47.993 -23.726 1.00 42.60 ? 176 LEU H CA 1 ATOM 1851 C C . LEU F 1 176 ? -1.437 47.298 -23.073 1.00 42.64 ? 176 LEU H C 1 ATOM 1852 O O . LEU F 1 176 ? -1.375 46.096 -22.789 1.00 41.22 ? 176 LEU H O 1 ATOM 1853 C CB . LEU F 1 176 ? 0.512 48.817 -22.697 1.00 51.21 ? 176 LEU H CB 1 ATOM 1854 C CG . LEU F 1 176 ? 1.848 49.300 -23.262 1.00 42.97 ? 176 LEU H CG 1 ATOM 1855 C CD1 . LEU F 1 176 ? 2.510 50.305 -22.335 1.00 51.33 ? 176 LEU H CD1 1 ATOM 1856 C CD2 . LEU F 1 176 ? 2.762 48.105 -23.525 1.00 41.06 ? 176 LEU H CD2 1 ATOM 1857 N N . TYR F 1 177 ? -2.524 48.043 -22.853 1.00 40.93 ? 177 TYR H N 1 ATOM 1858 C CA . TYR F 1 177 ? -3.741 47.456 -22.282 1.00 37.99 ? 177 TYR H CA 1 ATOM 1859 C C . TYR F 1 177 ? -4.209 46.251 -23.101 1.00 43.07 ? 177 TYR H C 1 ATOM 1860 O O . TYR F 1 177 ? -4.449 45.170 -22.565 1.00 46.91 ? 177 TYR H O 1 ATOM 1861 C CB . TYR F 1 177 ? -4.878 48.488 -22.208 1.00 42.45 ? 177 TYR H CB 1 ATOM 1862 C CG . TYR F 1 177 ? -6.177 47.862 -21.768 1.00 44.53 ? 177 TYR H CG 1 ATOM 1863 C CD1 . TYR F 1 177 ? -6.404 47.584 -20.424 1.00 42.76 ? 177 TYR H CD1 1 ATOM 1864 C CD2 . TYR F 1 177 ? -7.167 47.516 -22.690 1.00 40.50 ? 177 TYR H CD2 1 ATOM 1865 C CE1 . TYR F 1 177 ? -7.578 46.995 -20.003 1.00 38.52 ? 177 TYR H CE1 1 ATOM 1866 C CE2 . TYR F 1 177 ? -8.353 46.922 -22.274 1.00 41.18 ? 177 TYR H CE2 1 ATOM 1867 C CZ . TYR F 1 177 ? -8.549 46.662 -20.926 1.00 39.29 ? 177 TYR H CZ 1 ATOM 1868 O OH . TYR F 1 177 ? -9.710 46.073 -20.490 1.00 45.87 ? 177 TYR H OH 1 ATOM 1869 N N . GLU F 1 178 ? -4.348 46.441 -24.409 1.00 41.79 ? 178 GLU H N 1 ATOM 1870 C CA . GLU F 1 178 ? -4.848 45.375 -25.276 1.00 45.77 ? 178 GLU H CA 1 ATOM 1871 C C . GLU F 1 178 ? -3.915 44.164 -25.301 1.00 49.23 ? 178 GLU H C 1 ATOM 1872 O O . GLU F 1 178 ? -4.360 43.012 -25.288 1.00 46.00 ? 178 GLU H O 1 ATOM 1873 C CB . GLU F 1 178 ? -5.052 45.911 -26.699 1.00 42.89 ? 178 GLU H CB 1 ATOM 1874 C CG . GLU F 1 178 ? -6.118 46.998 -26.786 1.00 42.05 ? 178 GLU H CG 1 ATOM 1875 C CD . GLU F 1 178 ? -6.397 47.418 -28.221 1.00 67.03 ? 178 GLU H CD 1 ATOM 1876 O OE1 . GLU F 1 178 ? -5.691 46.931 -29.124 1.00 72.98 ? 178 GLU H OE1 1 ATOM 1877 O OE2 . GLU F 1 178 ? -7.319 48.233 -28.443 1.00 52.66 ? 178 GLU H OE2 1 ATOM 1878 N N . GLN F 1 179 ? -2.615 44.424 -25.335 1.00 38.78 ? 179 GLN H N 1 ATOM 1879 C CA . GLN F 1 179 ? -1.646 43.335 -25.294 1.00 49.78 ? 179 GLN H CA 1 ATOM 1880 C C . GLN F 1 179 ? -1.800 42.538 -24.012 1.00 51.42 ? 179 GLN H C 1 ATOM 1881 O O . GLN F 1 179 ? -1.852 41.307 -24.036 1.00 55.77 ? 179 GLN H O 1 ATOM 1882 C CB . GLN F 1 179 ? -0.228 43.881 -25.432 1.00 51.38 ? 179 GLN H CB 1 ATOM 1883 C CG . GLN F 1 179 ? 0.046 44.408 -26.832 1.00 61.89 ? 179 GLN H CG 1 ATOM 1884 C CD . GLN F 1 179 ? 1.400 45.070 -26.970 1.00 70.97 ? 179 GLN H CD 1 ATOM 1885 O OE1 . GLN F 1 179 ? 2.116 45.269 -25.987 1.00 83.90 ? 179 GLN H OE1 1 ATOM 1886 N NE2 . GLN F 1 179 ? 1.758 45.417 -28.198 1.00 87.00 ? 179 GLN H NE2 1 ATOM 1887 N N . LYS F 1 180 ? -1.910 43.239 -22.890 1.00 46.59 ? 180 LYS H N 1 ATOM 1888 C CA . LYS F 1 180 ? -2.112 42.562 -21.618 1.00 40.70 ? 180 LYS H CA 1 ATOM 1889 C C . LYS F 1 180 ? -3.408 41.756 -21.653 1.00 50.93 ? 180 LYS H C 1 ATOM 1890 O O . LYS F 1 180 ? -3.455 40.612 -21.203 1.00 58.45 ? 180 LYS H O 1 ATOM 1891 C CB . LYS F 1 180 ? -2.128 43.573 -20.475 1.00 50.85 ? 180 LYS H CB 1 ATOM 1892 C CG . LYS F 1 180 ? -2.634 43.020 -19.160 1.00 65.20 ? 180 LYS H CG 1 ATOM 1893 C CD . LYS F 1 180 ? -2.512 44.059 -18.049 1.00 74.04 ? 180 LYS H CD 1 ATOM 1894 C CE . LYS F 1 180 ? -3.417 43.717 -16.869 1.00 83.07 ? 180 LYS H CE 1 ATOM 1895 N NZ . LYS F 1 180 ? -3.077 42.406 -16.254 1.00 84.51 ? 180 LYS H NZ 1 ATOM 1896 N N . LYS F 1 181 ? -4.451 42.348 -22.223 1.00 49.06 ? 181 LYS H N 1 ATOM 1897 C CA . LYS F 1 181 ? -5.750 41.684 -22.321 1.00 50.68 ? 181 LYS H CA 1 ATOM 1898 C C . LYS F 1 181 ? -5.710 40.388 -23.137 1.00 52.22 ? 181 LYS H C 1 ATOM 1899 O O . LYS F 1 181 ? -6.255 39.365 -22.706 1.00 54.61 ? 181 LYS H O 1 ATOM 1900 C CB . LYS F 1 181 ? -6.773 42.635 -22.928 1.00 50.66 ? 181 LYS H CB 1 ATOM 1901 C CG . LYS F 1 181 ? -8.129 42.486 -22.326 1.00 57.57 ? 181 LYS H CG 1 ATOM 1902 C CD . LYS F 1 181 ? -8.027 42.663 -20.836 1.00 66.40 ? 181 LYS H CD 1 ATOM 1903 C CE . LYS F 1 181 ? -9.375 42.601 -20.206 1.00 49.70 ? 181 LYS H CE 1 ATOM 1904 N NZ . LYS F 1 181 ? -9.304 42.655 -18.730 1.00 58.06 ? 181 LYS H NZ 1 ATOM 1905 N N . PHE F 1 182 ? -5.085 40.437 -24.316 1.00 45.81 ? 182 PHE H N 1 ATOM 1906 C CA . PHE F 1 182 ? -4.923 39.241 -25.150 1.00 57.17 ? 182 PHE H CA 1 ATOM 1907 C C . PHE F 1 182 ? -4.256 38.138 -24.343 1.00 59.72 ? 182 PHE H C 1 ATOM 1908 O O . PHE F 1 182 ? -4.663 36.980 -24.392 1.00 65.05 ? 182 PHE H O 1 ATOM 1909 C CB . PHE F 1 182 ? -4.089 39.534 -26.405 1.00 54.79 ? 182 PHE H CB 1 ATOM 1910 C CG . PHE F 1 182 ? -4.870 40.126 -27.548 1.00 63.68 ? 182 PHE H CG 1 ATOM 1911 C CD1 . PHE F 1 182 ? -5.862 39.394 -28.184 1.00 72.38 ? 182 PHE H CD1 1 ATOM 1912 C CD2 . PHE F 1 182 ? -4.581 41.402 -28.016 1.00 65.81 ? 182 PHE H CD2 1 ATOM 1913 C CE1 . PHE F 1 182 ? -6.575 39.937 -29.248 1.00 72.96 ? 182 PHE H CE1 1 ATOM 1914 C CE2 . PHE F 1 182 ? -5.288 41.950 -29.081 1.00 64.82 ? 182 PHE H CE2 1 ATOM 1915 C CZ . PHE F 1 182 ? -6.286 41.214 -29.696 1.00 62.41 ? 182 PHE H CZ 1 ATOM 1916 N N . LYS F 1 183 ? -3.224 38.514 -23.598 1.00 55.56 ? 183 LYS H N 1 ATOM 1917 C CA . LYS F 1 183 ? -2.536 37.589 -22.704 1.00 58.43 ? 183 LYS H CA 1 ATOM 1918 C C . LYS F 1 183 ? -3.483 36.967 -21.673 1.00 65.65 ? 183 LYS H C 1 ATOM 1919 O O . LYS F 1 183 ? -3.546 35.743 -21.561 1.00 77.60 ? 183 LYS H O 1 ATOM 1920 C CB . LYS F 1 183 ? -1.381 38.302 -21.998 1.00 72.10 ? 183 LYS H CB 1 ATOM 1921 C CG . LYS F 1 183 ? -0.485 37.389 -21.171 1.00 88.31 ? 183 LYS H CG 1 ATOM 1922 C CD . LYS F 1 183 ? 0.734 38.139 -20.646 1.00 103.45 ? 183 LYS H CD 1 ATOM 1923 C CE . LYS F 1 183 ? 1.716 37.202 -19.955 1.00 123.84 ? 183 LYS H CE 1 ATOM 1924 N NZ . LYS F 1 183 ? 2.924 37.925 -19.465 1.00 123.84 ? 183 LYS H NZ 1 ATOM 1925 N N . GLU F 1 184 ? -4.212 37.798 -20.923 1.00 57.97 ? 184 GLU H N 1 ATOM 1926 C CA . GLU F 1 184 ? -5.162 37.291 -19.928 1.00 51.04 ? 184 GLU H CA 1 ATOM 1927 C C . GLU F 1 184 ? -6.144 36.309 -20.567 1.00 66.79 ? 184 GLU H C 1 ATOM 1928 O O . GLU F 1 184 ? -6.380 35.229 -20.029 1.00 63.42 ? 184 GLU H O 1 ATOM 1929 C CB . GLU F 1 184 ? -5.959 38.426 -19.254 1.00 62.04 ? 184 GLU H CB 1 ATOM 1930 C CG . GLU F 1 184 ? -5.159 39.492 -18.504 1.00 71.91 ? 184 GLU H CG 1 ATOM 1931 C CD . GLU F 1 184 ? -6.060 40.548 -17.829 1.00 95.38 ? 184 GLU H CD 1 ATOM 1932 O OE1 . GLU F 1 184 ? -7.243 40.246 -17.538 1.00 77.65 ? 184 GLU H OE1 1 ATOM 1933 O OE2 . GLU F 1 184 ? -5.585 41.684 -17.589 1.00 79.16 ? 184 GLU H OE2 1 ATOM 1934 N N . TYR F 1 185 ? -6.725 36.692 -21.706 1.00 52.39 ? 185 TYR H N 1 ATOM 1935 C CA . TYR F 1 185 ? -7.697 35.834 -22.386 1.00 66.54 ? 185 TYR H CA 1 ATOM 1936 C C . TYR F 1 185 ? -7.063 34.528 -22.844 1.00 65.45 ? 185 TYR H C 1 ATOM 1937 O O . TYR F 1 185 ? -7.662 33.461 -22.717 1.00 69.00 ? 185 TYR H O 1 ATOM 1938 C CB . TYR F 1 185 ? -8.316 36.546 -23.589 1.00 65.89 ? 185 TYR H CB 1 ATOM 1939 C CG . TYR F 1 185 ? -9.580 37.315 -23.283 1.00 58.55 ? 185 TYR H CG 1 ATOM 1940 C CD1 . TYR F 1 185 ? -10.765 36.656 -22.995 1.00 59.34 ? 185 TYR H CD1 1 ATOM 1941 C CD2 . TYR F 1 185 ? -9.592 38.702 -23.306 1.00 56.63 ? 185 TYR H CD2 1 ATOM 1942 C CE1 . TYR F 1 185 ? -11.925 37.359 -22.720 1.00 63.20 ? 185 TYR H CE1 1 ATOM 1943 C CE2 . TYR F 1 185 ? -10.746 39.412 -23.032 1.00 55.39 ? 185 TYR H CE2 1 ATOM 1944 C CZ . TYR F 1 185 ? -11.908 38.737 -22.744 1.00 51.34 ? 185 TYR H CZ 1 ATOM 1945 O OH . TYR F 1 185 ? -13.055 39.445 -22.479 1.00 59.42 ? 185 TYR H OH 1 ATOM 1946 N N . GLY F 1 186 ? -5.854 34.624 -23.388 1.00 61.65 ? 186 GLY H N 1 ATOM 1947 C CA . GLY F 1 186 ? -5.128 33.454 -23.847 1.00 70.36 ? 186 GLY H CA 1 ATOM 1948 C C . GLY F 1 186 ? -4.923 32.451 -22.729 1.00 73.68 ? 186 GLY H C 1 ATOM 1949 O O . GLY F 1 186 ? -5.232 31.267 -22.874 1.00 74.84 ? 186 GLY H O 1 ATOM 1950 N N . MET F 1 187 ? -4.411 32.930 -21.603 1.00 63.34 ? 187 MET H N 1 ATOM 1951 C CA . MET F 1 187 ? -4.171 32.070 -20.456 1.00 63.82 ? 187 MET H CA 1 ATOM 1952 C C . MET F 1 187 ? -5.442 31.370 -19.995 1.00 73.00 ? 187 MET H C 1 ATOM 1953 O O . MET F 1 187 ? -5.466 30.150 -19.846 1.00 88.99 ? 187 MET H O 1 ATOM 1954 C CB . MET F 1 187 ? -3.578 32.875 -19.305 1.00 74.55 ? 187 MET H CB 1 ATOM 1955 C CG . MET F 1 187 ? -2.112 33.227 -19.486 1.00 89.02 ? 187 MET H CG 1 ATOM 1956 S SD . MET F 1 187 ? -1.455 33.993 -17.994 1.00 134.87 ? 187 MET H SD 1 ATOM 1957 C CE . MET F 1 187 ? -2.259 32.989 -16.746 1.00 80.21 ? 187 MET H CE 1 ATOM 1958 N N . LYS F 1 188 ? -6.494 32.149 -19.772 1.00 77.70 ? 188 LYS H N 1 ATOM 1959 C CA . LYS F 1 188 ? -7.760 31.616 -19.284 1.00 67.08 ? 188 LYS H CA 1 ATOM 1960 C C . LYS F 1 188 ? -8.308 30.544 -20.223 1.00 68.50 ? 188 LYS H C 1 ATOM 1961 O O . LYS F 1 188 ? -8.811 29.516 -19.781 1.00 71.75 ? 188 LYS H O 1 ATOM 1962 C CB . LYS F 1 188 ? -8.776 32.745 -19.120 1.00 79.73 ? 188 LYS H CB 1 ATOM 1963 C CG . LYS F 1 188 ? -10.051 32.344 -18.392 1.00 98.41 ? 188 LYS H CG 1 ATOM 1964 C CD . LYS F 1 188 ? -9.852 32.301 -16.884 1.00 104.39 ? 188 LYS H CD 1 ATOM 1965 C CE . LYS F 1 188 ? -11.174 32.083 -16.163 1.00 105.00 ? 188 LYS H CE 1 ATOM 1966 N NZ . LYS F 1 188 ? -12.176 33.133 -16.510 1.00 98.90 ? 188 LYS H NZ 1 ATOM 1967 N N . ILE F 1 189 ? -8.201 30.791 -21.521 1.00 61.34 ? 189 ILE H N 1 ATOM 1968 C CA . ILE F 1 189 ? -8.667 29.834 -22.516 1.00 74.55 ? 189 ILE H CA 1 ATOM 1969 C C . ILE F 1 189 ? -7.856 28.542 -22.466 1.00 85.08 ? 189 ILE H C 1 ATOM 1970 O O . ILE F 1 189 ? -8.421 27.450 -22.489 1.00 94.88 ? 189 ILE H O 1 ATOM 1971 C CB . ILE F 1 189 ? -8.602 30.422 -23.936 1.00 72.67 ? 189 ILE H CB 1 ATOM 1972 C CG1 . ILE F 1 189 ? -9.621 31.550 -24.087 1.00 72.95 ? 189 ILE H CG1 1 ATOM 1973 C CG2 . ILE F 1 189 ? -8.861 29.343 -24.976 1.00 76.12 ? 189 ILE H CG2 1 ATOM 1974 C CD1 . ILE F 1 189 ? -9.611 32.199 -25.448 1.00 71.76 ? 189 ILE H CD1 1 ATOM 1975 N N . ASP F 1 190 ? -6.534 28.669 -22.393 1.00 80.25 ? 190 ASP H N 1 ATOM 1976 C CA . ASP F 1 190 ? -5.656 27.505 -22.321 1.00 80.20 ? 190 ASP H CA 1 ATOM 1977 C C . ASP F 1 190 ? -5.942 26.651 -21.092 1.00 82.14 ? 190 ASP H C 1 ATOM 1978 O O . ASP F 1 190 ? -6.089 25.434 -21.188 1.00 88.51 ? 190 ASP H O 1 ATOM 1979 C CB . ASP F 1 190 ? -4.188 27.935 -22.314 1.00 79.64 ? 190 ASP H CB 1 ATOM 1980 C CG . ASP F 1 190 ? -3.729 28.456 -23.660 1.00 95.01 ? 190 ASP H CG 1 ATOM 1981 O OD1 . ASP F 1 190 ? -4.416 28.186 -24.668 1.00 91.38 ? 190 ASP H OD1 1 ATOM 1982 O OD2 . ASP F 1 190 ? -2.677 29.128 -23.710 1.00 101.47 ? 190 ASP H OD2 1 ATOM 1983 N N . GLU F 1 191 ? -6.026 27.298 -19.936 1.00 83.65 ? 191 GLU H N 1 ATOM 1984 C CA . GLU F 1 191 ? -6.169 26.581 -18.681 1.00 80.36 ? 191 GLU H CA 1 ATOM 1985 C C . GLU F 1 191 ? -7.530 25.904 -18.569 1.00 95.48 ? 191 GLU H C 1 ATOM 1986 O O . GLU F 1 191 ? -7.700 24.974 -17.784 1.00 108.84 ? 191 GLU H O 1 ATOM 1987 C CB . GLU F 1 191 ? -5.955 27.528 -17.498 1.00 80.33 ? 191 GLU H CB 1 ATOM 1988 C CG . GLU F 1 191 ? -7.236 28.049 -16.878 1.00 94.59 ? 191 GLU H CG 1 ATOM 1989 C CD . GLU F 1 191 ? -6.986 28.882 -15.635 1.00 115.27 ? 191 GLU H CD 1 ATOM 1990 O OE1 . GLU F 1 191 ? -7.906 28.996 -14.796 1.00 120.05 ? 191 GLU H OE1 1 ATOM 1991 O OE2 . GLU F 1 191 ? -5.868 29.423 -15.498 1.00 114.63 ? 191 GLU H OE2 1 ATOM 1992 N N . ILE F 1 192 ? -8.500 26.368 -19.350 1.00 92.46 ? 192 ILE H N 1 ATOM 1993 C CA . ILE F 1 192 ? -9.840 25.795 -19.296 1.00 87.93 ? 192 ILE H CA 1 ATOM 1994 C C . ILE F 1 192 ? -10.001 24.707 -20.350 1.00 93.11 ? 192 ILE H C 1 ATOM 1995 O O . ILE F 1 192 ? -10.800 23.785 -20.190 1.00 102.05 ? 192 ILE H O 1 ATOM 1996 C CB . ILE F 1 192 ? -10.927 26.870 -19.479 1.00 89.05 ? 192 ILE H CB 1 ATOM 1997 C CG1 . ILE F 1 192 ? -10.999 27.761 -18.241 1.00 94.06 ? 192 ILE H CG1 1 ATOM 1998 C CG2 . ILE F 1 192 ? -12.282 26.232 -19.701 1.00 87.78 ? 192 ILE H CG2 1 ATOM 1999 C CD1 . ILE F 1 192 ? -12.212 28.665 -18.216 1.00 93.88 ? 192 ILE H CD1 1 ATOM 2000 N N . THR F 1 193 ? -9.234 24.809 -21.428 1.00 93.56 ? 193 THR H N 1 ATOM 2001 C CA . THR F 1 193 ? -9.199 23.738 -22.411 1.00 94.53 ? 193 THR H CA 1 ATOM 2002 C C . THR F 1 193 ? -8.471 22.527 -21.827 1.00 108.17 ? 193 THR H C 1 ATOM 2003 O O . THR F 1 193 ? -8.795 21.385 -22.151 1.00 111.58 ? 193 THR H O 1 ATOM 2004 C CB . THR F 1 193 ? -8.517 24.179 -23.715 1.00 88.41 ? 193 THR H CB 1 ATOM 2005 O OG1 . THR F 1 193 ? -7.191 24.637 -23.430 1.00 103.74 ? 193 THR H OG1 1 ATOM 2006 C CG2 . THR F 1 193 ? -9.305 25.299 -24.373 1.00 83.45 ? 193 THR H CG2 1 ATOM 2007 N N . LYS F 1 194 ? -7.494 22.780 -20.959 1.00 97.99 ? 194 LYS H N 1 ATOM 2008 C CA . LYS F 1 194 ? -6.774 21.697 -20.295 1.00 93.94 ? 194 LYS H CA 1 ATOM 2009 C C . LYS F 1 194 ? -7.664 20.999 -19.276 1.00 98.87 ? 194 LYS H C 1 ATOM 2010 O O . LYS F 1 194 ? -7.759 19.773 -19.268 1.00 110.17 ? 194 LYS H O 1 ATOM 2011 C CB . LYS F 1 194 ? -5.505 22.214 -19.612 1.00 93.11 ? 194 LYS H CB 1 ATOM 2012 C CG . LYS F 1 194 ? -4.463 22.766 -20.573 1.00 101.78 ? 194 LYS H CG 1 ATOM 2013 C CD . LYS F 1 194 ? -3.047 22.640 -20.020 1.00 108.25 ? 194 LYS H CD 1 ATOM 2014 C CE . LYS F 1 194 ? -2.908 23.262 -18.636 1.00 117.47 ? 194 LYS H CE 1 ATOM 2015 N NZ . LYS F 1 194 ? -3.399 22.365 -17.549 1.00 108.86 ? 194 LYS H NZ 1 ATOM 2016 N N . GLU F 1 195 ? -8.317 21.782 -18.421 1.00 98.43 ? 195 GLU H N 1 ATOM 2017 C CA . GLU F 1 195 ? -9.253 21.234 -17.444 1.00 97.41 ? 195 GLU H CA 1 ATOM 2018 C C . GLU F 1 195 ? -10.363 20.468 -18.151 1.00 99.96 ? 195 GLU H C 1 ATOM 2019 O O . GLU F 1 195 ? -11.014 19.605 -17.564 1.00 109.57 ? 195 GLU H O 1 ATOM 2020 C CB . GLU F 1 195 ? -9.848 22.344 -16.576 1.00 97.27 ? 195 GLU H CB 1 ATOM 2021 C CG . GLU F 1 195 ? -8.824 23.105 -15.749 1.00 115.03 ? 195 GLU H CG 1 ATOM 2022 C CD . GLU F 1 195 ? -9.428 24.288 -15.013 1.00 125.71 ? 195 GLU H CD 1 ATOM 2023 O OE1 . GLU F 1 195 ? -10.664 24.464 -15.078 1.00 125.14 ? 195 GLU H OE1 1 ATOM 2024 O OE2 . GLU F 1 195 ? -8.667 25.043 -14.371 1.00 120.58 ? 195 GLU H OE2 1 ATOM 2025 N N . ASN F 1 196 ? -10.570 20.797 -19.420 1.00 105.24 ? 196 ASN H N 1 ATOM 2026 C CA . ASN F 1 196 ? -11.563 20.122 -20.239 1.00 107.88 ? 196 ASN H CA 1 ATOM 2027 C C . ASN F 1 196 ? -11.102 18.726 -20.637 1.00 114.11 ? 196 ASN H C 1 ATOM 2028 O O . ASN F 1 196 ? -11.852 17.757 -20.521 1.00 118.72 ? 196 ASN H O 1 ATOM 2029 C CB . ASN F 1 196 ? -11.870 20.951 -21.486 1.00 111.79 ? 196 ASN H CB 1 ATOM 2030 C CG . ASN F 1 196 ? -12.828 20.252 -22.429 1.00 119.50 ? 196 ASN H CG 1 ATOM 2031 O OD1 . ASN F 1 196 ? -12.410 19.522 -23.329 1.00 113.53 ? 196 ASN H OD1 1 ATOM 2032 N ND2 . ASN F 1 196 ? -14.122 20.474 -22.228 1.00 121.87 ? 196 ASN H ND2 1 ATOM 2033 N N . LYS F 1 197 ? -9.861 18.633 -21.105 1.00 112.66 ? 197 LYS H N 1 ATOM 2034 C CA . LYS F 1 197 ? -9.292 17.360 -21.529 1.00 109.33 ? 197 LYS H CA 1 ATOM 2035 C C . LYS F 1 197 ? -9.165 16.393 -20.356 1.00 110.53 ? 197 LYS H C 1 ATOM 2036 O O . LYS F 1 197 ? -9.358 15.188 -20.512 1.00 116.20 ? 197 LYS H O 1 ATOM 2037 C CB . LYS F 1 197 ? -7.927 17.577 -22.183 1.00 110.15 ? 197 LYS H CB 1 ATOM 2038 C CG . LYS F 1 197 ? -7.951 18.539 -23.361 1.00 114.73 ? 197 LYS H CG 1 ATOM 2039 C CD . LYS F 1 197 ? -6.558 18.742 -23.938 1.00 117.52 ? 197 LYS H CD 1 ATOM 2040 C CE . LYS F 1 197 ? -6.567 19.771 -25.059 1.00 117.08 ? 197 LYS H CE 1 ATOM 2041 N NZ . LYS F 1 197 ? -7.499 19.393 -26.158 1.00 112.66 ? 197 LYS H NZ 1 ATOM 2042 N N . LYS F 1 198 ? -8.842 16.928 -19.183 1.00 99.06 ? 198 LYS H N 1 ATOM 2043 C CA . LYS F 1 198 ? -8.738 16.117 -17.975 1.00 104.58 ? 198 LYS H CA 1 ATOM 2044 C C . LYS F 1 198 ? -10.063 15.435 -17.655 1.00 113.37 ? 198 LYS H C 1 ATOM 2045 O O . LYS F 1 198 ? -10.103 14.234 -17.388 1.00 121.65 ? 198 LYS H O 1 ATOM 2046 C CB . LYS F 1 198 ? -8.290 16.970 -16.787 1.00 103.24 ? 198 LYS H CB 1 ATOM 2047 C CG . LYS F 1 198 ? -8.288 16.227 -15.460 1.00 107.54 ? 198 LYS H CG 1 ATOM 2048 C CD . LYS F 1 198 ? -7.805 17.115 -14.323 1.00 102.99 ? 198 LYS H CD 1 ATOM 2049 C CE . LYS F 1 198 ? -7.818 16.371 -12.999 1.00 102.45 ? 198 LYS H CE 1 ATOM 2050 N NZ . LYS F 1 198 ? -7.284 17.203 -11.884 1.00 112.29 ? 198 LYS H NZ 1 ATOM 2051 N N . LEU F 1 199 ? -11.146 16.206 -17.683 1.00 114.04 ? 199 LEU H N 1 ATOM 2052 C CA . LEU F 1 199 ? -12.472 15.660 -17.420 1.00 115.67 ? 199 LEU H CA 1 ATOM 2053 C C . LEU F 1 199 ? -12.860 14.657 -18.497 1.00 115.19 ? 199 LEU H C 1 ATOM 2054 O O . LEU F 1 199 ? -13.527 13.662 -18.220 1.00 126.85 ? 199 LEU H O 1 ATOM 2055 C CB . LEU F 1 199 ? -13.515 16.775 -17.342 1.00 114.26 ? 199 LEU H CB 1 ATOM 2056 C CG . LEU F 1 199 ? -13.258 17.903 -16.343 1.00 113.68 ? 199 LEU H CG 1 ATOM 2057 C CD1 . LEU F 1 199 ? -14.536 18.693 -16.103 1.00 109.89 ? 199 LEU H CD1 1 ATOM 2058 C CD2 . LEU F 1 199 ? -12.694 17.362 -15.037 1.00 112.03 ? 199 LEU H CD2 1 ATOM 2059 N N . ALA F 1 200 ? -12.440 14.927 -19.728 1.00 108.99 ? 200 ALA H N 1 ATOM 2060 C CA . ALA F 1 200 ? -12.730 14.039 -20.844 1.00 113.69 ? 200 ALA H CA 1 ATOM 2061 C C . ALA F 1 200 ? -12.027 12.698 -20.663 1.00 123.13 ? 200 ALA H C 1 ATOM 2062 O O . ALA F 1 200 ? -12.558 11.653 -21.038 1.00 129.21 ? 200 ALA H O 1 ATOM 2063 C CB . ALA F 1 200 ? -12.317 14.683 -22.157 1.00 111.09 ? 200 ALA H CB 1 ATOM 2064 N N . ASN F 1 201 ? -10.831 12.734 -20.085 1.00 122.10 ? 201 ASN H N 1 ATOM 2065 C CA . ASN F 1 201 ? -10.066 11.517 -19.849 1.00 123.51 ? 201 ASN H CA 1 ATOM 2066 C C . ASN F 1 201 ? -10.622 10.709 -18.683 1.00 127.49 ? 201 ASN H C 1 ATOM 2067 O O . ASN F 1 201 ? -10.657 9.480 -18.732 1.00 138.41 ? 201 ASN H O 1 ATOM 2068 C CB . ASN F 1 201 ? -8.593 11.850 -19.603 1.00 115.27 ? 201 ASN H CB 1 ATOM 2069 C CG . ASN F 1 201 ? -7.882 12.304 -20.863 1.00 120.80 ? 201 ASN H CG 1 ATOM 2070 O OD1 . ASN F 1 201 ? -8.269 11.939 -21.974 1.00 125.15 ? 201 ASN H OD1 1 ATOM 2071 N ND2 . ASN F 1 201 ? -6.834 13.103 -20.697 1.00 121.64 ? 201 ASN H ND2 1 ATOM 2072 N N . GLU F 1 202 ? -11.060 11.402 -17.636 1.00 117.58 ? 202 GLU H N 1 ATOM 2073 C CA . GLU F 1 202 ? -11.649 10.735 -16.481 1.00 120.32 ? 202 GLU H CA 1 ATOM 2074 C C . GLU F 1 202 ? -12.964 10.058 -16.852 1.00 121.31 ? 202 GLU H C 1 ATOM 2075 O O . GLU F 1 202 ? -13.417 9.146 -16.163 1.00 126.56 ? 202 GLU H O 1 ATOM 2076 C CB . GLU F 1 202 ? -11.869 11.727 -15.340 1.00 117.00 ? 202 GLU H CB 1 ATOM 2077 C CG . GLU F 1 202 ? -10.582 12.320 -14.792 1.00 127.89 ? 202 GLU H CG 1 ATOM 2078 C CD . GLU F 1 202 ? -10.812 13.180 -13.566 1.00 141.16 ? 202 GLU H CD 1 ATOM 2079 O OE1 . GLU F 1 202 ? -11.982 13.329 -13.154 1.00 143.01 ? 202 GLU H OE1 1 ATOM 2080 O OE2 . GLU F 1 202 ? -9.822 13.707 -13.015 1.00 141.10 ? 202 GLU H OE2 1 ATOM 2081 N N . ILE F 1 203 ? -13.574 10.511 -17.941 1.00 123.50 ? 203 ILE H N 1 ATOM 2082 C CA . ILE F 1 203 ? -14.784 9.882 -18.455 1.00 134.69 ? 203 ILE H CA 1 ATOM 2083 C C . ILE F 1 203 ? -14.449 8.555 -19.124 1.00 136.29 ? 203 ILE H C 1 ATOM 2084 O O . ILE F 1 203 ? -15.028 7.520 -18.794 1.00 145.14 ? 203 ILE H O 1 ATOM 2085 C CB . ILE F 1 203 ? -15.519 10.787 -19.464 1.00 141.11 ? 203 ILE H CB 1 ATOM 2086 C CG1 . ILE F 1 203 ? -16.286 11.893 -18.737 1.00 132.67 ? 203 ILE H CG1 1 ATOM 2087 C CG2 . ILE F 1 203 ? -16.479 9.967 -20.311 1.00 143.10 ? 203 ILE H CG2 1 ATOM 2088 C CD1 . ILE F 1 203 ? -17.484 11.396 -17.956 1.00 133.82 ? 203 ILE H CD1 1 ATOM 2089 N N . GLY F 1 204 ? -13.508 8.593 -20.062 1.00 134.29 ? 204 GLY H N 1 ATOM 2090 C CA . GLY F 1 204 ? -13.090 7.404 -20.783 1.00 139.36 ? 204 GLY H CA 1 ATOM 2091 C C . GLY F 1 204 ? -12.535 6.328 -19.870 1.00 139.20 ? 204 GLY H C 1 ATOM 2092 O O . GLY F 1 204 ? -12.618 5.139 -20.178 1.00 142.15 ? 204 GLY H O 1 ATOM 2093 N N . ARG F 1 205 ? -11.967 6.746 -18.743 1.00 132.72 ? 205 ARG H N 1 ATOM 2094 C CA . ARG F 1 205 ? -11.438 5.807 -17.761 1.00 132.65 ? 205 ARG H CA 1 ATOM 2095 C C . ARG F 1 205 ? -12.563 5.120 -16.996 1.00 138.02 ? 205 ARG H C 1 ATOM 2096 O O . ARG F 1 205 ? -12.641 3.892 -16.964 1.00 147.80 ? 205 ARG H O 1 ATOM 2097 C CB . ARG F 1 205 ? -10.495 6.516 -16.786 1.00 125.86 ? 205 ARG H CB 1 ATOM 2098 C CG . ARG F 1 205 ? -9.136 6.850 -17.377 1.00 128.33 ? 205 ARG H CG 1 ATOM 2099 C CD . ARG F 1 205 ? -8.161 7.299 -16.302 1.00 133.03 ? 205 ARG H CD 1 ATOM 2100 N NE . ARG F 1 205 ? -6.777 7.228 -16.764 1.00 151.74 ? 205 ARG H NE 1 ATOM 2101 C CZ . ARG F 1 205 ? -5.717 7.419 -15.984 1.00 153.35 ? 205 ARG H CZ 1 ATOM 2102 N NH1 . ARG F 1 205 ? -5.879 7.695 -14.697 1.00 153.93 ? 205 ARG H NH1 1 ATOM 2103 N NH2 . ARG F 1 205 ? -4.494 7.332 -16.489 1.00 139.21 ? 205 ARG H NH2 1 ATOM 2104 N N . LEU F 1 206 ? -13.433 5.916 -16.382 1.00 133.74 ? 206 LEU H N 1 ATOM 2105 C CA . LEU F 1 206 ? -14.558 5.373 -15.630 1.00 129.98 ? 206 LEU H CA 1 ATOM 2106 C C . LEU F 1 206 ? -15.546 4.663 -16.548 1.00 133.70 ? 206 LEU H C 1 ATOM 2107 O O . LEU F 1 206 ? -16.306 3.803 -16.108 1.00 140.85 ? 206 LEU H O 1 ATOM 2108 C CB . LEU F 1 206 ? -15.271 6.479 -14.850 1.00 125.42 ? 206 LEU H CB 1 ATOM 2109 C CG . LEU F 1 206 ? -14.497 7.105 -13.689 1.00 129.67 ? 206 LEU H CG 1 ATOM 2110 C CD1 . LEU F 1 206 ? -15.379 8.076 -12.916 1.00 129.76 ? 206 LEU H CD1 1 ATOM 2111 C CD2 . LEU F 1 206 ? -13.943 6.028 -12.768 1.00 136.48 ? 206 LEU H CD2 1 ATOM 2112 N N . ARG F 1 207 ? -15.532 5.026 -17.826 1.00 137.03 ? 207 ARG H N 1 ATOM 2113 C CA . ARG F 1 207 ? -16.425 4.405 -18.795 1.00 145.34 ? 207 ARG H CA 1 ATOM 2114 C C . ARG F 1 207 ? -15.850 3.084 -19.295 1.00 153.81 ? 207 ARG H C 1 ATOM 2115 O O . ARG F 1 207 ? -16.594 2.171 -19.646 1.00 159.54 ? 207 ARG H O 1 ATOM 2116 C CB . ARG F 1 207 ? -16.690 5.350 -19.970 1.00 147.09 ? 207 ARG H CB 1 ATOM 2117 C CG . ARG F 1 207 ? -17.680 4.810 -20.991 1.00 148.80 ? 207 ARG H CG 1 ATOM 2118 C CD . ARG F 1 207 ? -18.381 5.939 -21.732 1.00 149.69 ? 207 ARG H CD 1 ATOM 2119 N NE . ARG F 1 207 ? -19.123 6.807 -20.820 1.00 153.66 ? 207 ARG H NE 1 ATOM 2120 C CZ . ARG F 1 207 ? -19.938 7.783 -21.208 1.00 148.13 ? 207 ARG H CZ 1 ATOM 2121 N NH1 . ARG F 1 207 ? -20.125 8.020 -22.499 1.00 139.97 ? 207 ARG H NH1 1 ATOM 2122 N NH2 . ARG F 1 207 ? -20.569 8.520 -20.304 1.00 144.97 ? 207 ARG H NH2 1 ATOM 2123 N N . GLU F 1 208 ? -14.525 2.985 -19.318 1.00 152.68 ? 208 GLU H N 1 ATOM 2124 C CA . GLU F 1 208 ? -13.862 1.756 -19.740 1.00 148.56 ? 208 GLU H CA 1 ATOM 2125 C C . GLU F 1 208 ? -13.954 0.680 -18.663 1.00 147.34 ? 208 GLU H C 1 ATOM 2126 O O . GLU F 1 208 ? -14.120 -0.501 -18.968 1.00 146.07 ? 208 GLU H O 1 ATOM 2127 C CB . GLU F 1 208 ? -12.398 2.022 -20.085 1.00 144.58 ? 208 GLU H CB 1 ATOM 2128 C CG . GLU F 1 208 ? -11.627 0.773 -20.472 1.00 146.10 ? 208 GLU H CG 1 ATOM 2129 C CD . GLU F 1 208 ? -10.143 1.030 -20.624 1.00 159.91 ? 208 GLU H CD 1 ATOM 2130 O OE1 . GLU F 1 208 ? -9.405 0.081 -20.964 1.00 162.18 ? 208 GLU H OE1 1 ATOM 2131 O OE2 . GLU F 1 208 ? -9.712 2.181 -20.400 1.00 164.78 ? 208 GLU H OE2 1 ATOM 2132 N N . ARG F 1 209 ? -13.836 1.093 -17.404 1.00 142.09 ? 209 ARG H N 1 ATOM 2133 C CA . ARG F 1 209 ? -13.974 0.171 -16.283 1.00 138.82 ? 209 ARG H CA 1 ATOM 2134 C C . ARG F 1 209 ? -15.380 -0.411 -16.242 1.00 145.84 ? 209 ARG H C 1 ATOM 2135 O O . ARG F 1 209 ? -15.566 -1.604 -16.008 1.00 154.58 ? 209 ARG H O 1 ATOM 2136 C CB . ARG F 1 209 ? -13.665 0.869 -14.957 1.00 134.20 ? 209 ARG H CB 1 ATOM 2137 C CG . ARG F 1 209 ? -12.240 1.370 -14.810 1.00 133.48 ? 209 ARG H CG 1 ATOM 2138 C CD . ARG F 1 209 ? -11.988 1.835 -13.383 1.00 137.13 ? 209 ARG H CD 1 ATOM 2139 N NE . ARG F 1 209 ? -10.670 2.441 -13.215 1.00 151.37 ? 209 ARG H NE 1 ATOM 2140 C CZ . ARG F 1 209 ? -10.180 2.845 -12.047 1.00 150.15 ? 209 ARG H CZ 1 ATOM 2141 N NH1 . ARG F 1 209 ? -10.898 2.703 -10.940 1.00 143.68 ? 209 ARG H NH1 1 ATOM 2142 N NH2 . ARG F 1 209 ? -8.971 3.387 -11.983 1.00 144.99 ? 209 ARG H NH2 1 ATOM 2143 N N . TRP F 1 210 ? -16.366 0.448 -16.473 1.00 148.30 ? 210 TRP H N 1 ATOM 2144 C CA . TRP F 1 210 ? -17.768 0.052 -16.442 1.00 151.33 ? 210 TRP H CA 1 ATOM 2145 C C . TRP F 1 210 ? -18.106 -0.927 -17.564 1.00 158.56 ? 210 TRP H C 1 ATOM 2146 O O . TRP F 1 210 ? -18.968 -1.791 -17.404 1.00 160.65 ? 210 TRP H O 1 ATOM 2147 C CB . TRP F 1 210 ? -18.663 1.290 -16.538 1.00 154.14 ? 210 TRP H CB 1 ATOM 2148 C CG . TRP F 1 210 ? -20.131 0.993 -16.536 1.00 157.88 ? 210 TRP H CG 1 ATOM 2149 C CD1 . TRP F 1 210 ? -20.908 0.685 -17.616 1.00 158.23 ? 210 TRP H CD1 1 ATOM 2150 C CD2 . TRP F 1 210 ? -21.006 0.988 -15.401 1.00 159.44 ? 210 TRP H CD2 1 ATOM 2151 N NE1 . TRP F 1 210 ? -22.208 0.484 -17.223 1.00 159.68 ? 210 TRP H NE1 1 ATOM 2152 C CE2 . TRP F 1 210 ? -22.295 0.665 -15.865 1.00 159.48 ? 210 TRP H CE2 1 ATOM 2153 C CE3 . TRP F 1 210 ? -20.822 1.225 -14.033 1.00 153.08 ? 210 TRP H CE3 1 ATOM 2154 C CZ2 . TRP F 1 210 ? -23.396 0.571 -15.017 1.00 158.22 ? 210 TRP H CZ2 1 ATOM 2155 C CZ3 . TRP F 1 210 ? -21.916 1.131 -13.191 1.00 153.71 ? 210 TRP H CZ3 1 ATOM 2156 C CH2 . TRP F 1 210 ? -23.186 0.807 -13.686 1.00 160.15 ? 210 TRP H CH2 1 ATOM 2157 N N . ASP F 1 211 ? -17.422 -0.790 -18.695 1.00 158.73 ? 211 ASP H N 1 ATOM 2158 C CA . ASP F 1 211 ? -17.703 -1.620 -19.863 1.00 162.04 ? 211 ASP H CA 1 ATOM 2159 C C . ASP F 1 211 ? -17.055 -2.999 -19.773 1.00 161.63 ? 211 ASP H C 1 ATOM 2160 O O . ASP F 1 211 ? -17.702 -4.013 -20.036 1.00 162.78 ? 211 ASP H O 1 ATOM 2161 C CB . ASP F 1 211 ? -17.239 -0.916 -21.140 1.00 161.30 ? 211 ASP H CB 1 ATOM 2162 C CG . ASP F 1 211 ? -18.051 0.324 -21.450 1.00 166.36 ? 211 ASP H CG 1 ATOM 2163 O OD1 . ASP F 1 211 ? -19.215 0.403 -21.002 1.00 166.53 ? 211 ASP H OD1 1 ATOM 2164 O OD2 . ASP F 1 211 ? -17.526 1.221 -22.144 1.00 165.06 ? 211 ASP H OD2 1 ATOM 2165 N N . SER F 1 212 ? -15.778 -3.030 -19.404 1.00 159.97 ? 212 SER H N 1 ATOM 2166 C CA . SER F 1 212 ? -15.018 -4.277 -19.361 1.00 160.19 ? 212 SER H CA 1 ATOM 2167 C C . SER F 1 212 ? -15.627 -5.293 -18.397 1.00 162.19 ? 212 SER H C 1 ATOM 2168 O O . SER F 1 212 ? -15.746 -6.475 -18.720 1.00 162.62 ? 212 SER H O 1 ATOM 2169 C CB . SER F 1 212 ? -13.564 -4.000 -18.973 1.00 152.12 ? 212 SER H CB 1 ATOM 2170 O OG . SER F 1 212 ? -13.476 -3.469 -17.661 1.00 147.73 ? 212 SER H OG 1 ATOM 2171 N N . LEU F 1 213 ? -16.012 -4.824 -17.215 1.00 156.04 ? 213 LEU H N 1 ATOM 2172 C CA . LEU F 1 213 ? -16.561 -5.701 -16.189 1.00 141.26 ? 213 LEU H CA 1 ATOM 2173 C C . LEU F 1 213 ? -18.064 -5.886 -16.363 1.00 131.95 ? 213 LEU H C 1 ATOM 2174 O O . LEU F 1 213 ? -18.539 -6.179 -17.461 1.00 127.44 ? 213 LEU H O 1 ATOM 2175 C CB . LEU F 1 213 ? -16.254 -5.143 -14.800 1.00 134.18 ? 213 LEU H CB 1 ATOM 2176 C CG . LEU F 1 213 ? -14.809 -4.680 -14.597 1.00 142.56 ? 213 LEU H CG 1 ATOM 2177 C CD1 . LEU F 1 213 ? -14.606 -4.174 -13.181 1.00 142.68 ? 213 LEU H CD1 1 ATOM 2178 C CD2 . LEU F 1 213 ? -13.824 -5.796 -14.922 1.00 143.16 ? 213 LEU H CD2 1 ATOM 2179 N N . SER G 1 124 ? -19.146 55.655 -7.611 1.00 98.08 ? 124 SER K N 1 ATOM 2180 C CA . SER G 1 124 ? -18.930 55.784 -6.171 1.00 108.35 ? 124 SER K CA 1 ATOM 2181 C C . SER G 1 124 ? -19.975 55.019 -5.360 1.00 99.02 ? 124 SER K C 1 ATOM 2182 O O . SER G 1 124 ? -20.799 55.626 -4.674 1.00 92.18 ? 124 SER K O 1 ATOM 2183 C CB . SER G 1 124 ? -18.938 57.258 -5.759 1.00 99.80 ? 124 SER K CB 1 ATOM 2184 O OG . SER G 1 124 ? -18.977 57.387 -4.346 1.00 100.31 ? 124 SER K OG 1 ATOM 2185 N N . PRO G 1 125 ? -19.944 53.679 -5.441 1.00 100.20 ? 125 PRO K N 1 ATOM 2186 C CA . PRO G 1 125 ? -20.835 52.828 -4.653 1.00 95.73 ? 125 PRO K CA 1 ATOM 2187 C C . PRO G 1 125 ? -20.227 52.465 -3.302 1.00 70.82 ? 125 PRO K C 1 ATOM 2188 O O . PRO G 1 125 ? -20.218 51.288 -2.943 1.00 68.32 ? 125 PRO K O 1 ATOM 2189 C CB . PRO G 1 125 ? -20.972 51.587 -5.527 1.00 79.57 ? 125 PRO K CB 1 ATOM 2190 C CG . PRO G 1 125 ? -19.615 51.457 -6.130 1.00 68.11 ? 125 PRO K CG 1 ATOM 2191 C CD . PRO G 1 125 ? -19.132 52.878 -6.376 1.00 94.44 ? 125 PRO K CD 1 ATOM 2192 N N . ILE G 1 126 ? -19.715 53.453 -2.578 1.00 58.55 ? 126 ILE K N 1 ATOM 2193 C CA . ILE G 1 126 ? -19.119 53.195 -1.265 1.00 71.47 ? 126 ILE K CA 1 ATOM 2194 C C . ILE G 1 126 ? -20.160 52.612 -0.307 1.00 53.58 ? 126 ILE K C 1 ATOM 2195 O O . ILE G 1 126 ? -21.094 53.291 0.103 1.00 48.48 ? 126 ILE K O 1 ATOM 2196 C CB . ILE G 1 126 ? -18.487 54.480 -0.680 1.00 54.82 ? 126 ILE K CB 1 ATOM 2197 C CG1 . ILE G 1 126 ? -17.227 54.825 -1.486 1.00 53.40 ? 126 ILE K CG1 1 ATOM 2198 C CG2 . ILE G 1 126 ? -18.172 54.305 0.816 1.00 60.67 ? 126 ILE K CG2 1 ATOM 2199 C CD1 . ILE G 1 126 ? -16.550 56.111 -1.111 1.00 51.10 ? 126 ILE K CD1 1 ATOM 2200 N N . ASN G 1 127 ? -20.014 51.331 0.012 1.00 49.77 ? 127 ASN K N 1 ATOM 2201 C CA . ASN G 1 127 ? -20.951 50.644 0.904 1.00 59.72 ? 127 ASN K CA 1 ATOM 2202 C C . ASN G 1 127 ? -20.477 50.500 2.361 1.00 61.93 ? 127 ASN K C 1 ATOM 2203 O O . ASN G 1 127 ? -21.238 50.060 3.221 1.00 53.11 ? 127 ASN K O 1 ATOM 2204 C CB . ASN G 1 127 ? -21.265 49.250 0.359 1.00 60.69 ? 127 ASN K CB 1 ATOM 2205 C CG . ASN G 1 127 ? -22.616 49.180 -0.330 1.00 92.23 ? 127 ASN K CG 1 ATOM 2206 O OD1 . ASN G 1 127 ? -23.614 48.771 0.270 1.00 98.88 ? 127 ASN K OD1 1 ATOM 2207 N ND2 . ASN G 1 127 ? -22.656 49.584 -1.594 1.00 80.25 ? 127 ASN K ND2 1 ATOM 2208 N N . ASP G 1 128 ? -19.233 50.864 2.648 1.00 42.98 ? 128 ASP K N 1 ATOM 2209 C CA . ASP G 1 128 ? -18.724 50.668 4.013 1.00 40.24 ? 128 ASP K CA 1 ATOM 2210 C C . ASP G 1 128 ? -19.071 51.852 4.908 1.00 32.97 ? 128 ASP K C 1 ATOM 2211 O O . ASP G 1 128 ? -18.636 52.979 4.672 1.00 39.75 ? 128 ASP K O 1 ATOM 2212 C CB . ASP G 1 128 ? -17.218 50.420 3.997 1.00 43.49 ? 128 ASP K CB 1 ATOM 2213 C CG . ASP G 1 128 ? -16.659 50.122 5.386 1.00 52.68 ? 128 ASP K CG 1 ATOM 2214 O OD1 . ASP G 1 128 ? -16.478 51.080 6.166 1.00 52.16 ? 128 ASP K OD1 1 ATOM 2215 O OD2 . ASP G 1 128 ? -16.390 48.943 5.688 1.00 57.71 ? 128 ASP K OD2 1 ATOM 2216 N N . PRO G 1 129 ? -19.869 51.596 5.953 1.00 33.75 ? 129 PRO K N 1 ATOM 2217 C CA . PRO G 1 129 ? -20.298 52.655 6.870 1.00 34.45 ? 129 PRO K CA 1 ATOM 2218 C C . PRO G 1 129 ? -19.139 53.399 7.536 1.00 30.31 ? 129 PRO K C 1 ATOM 2219 O O . PRO G 1 129 ? -19.232 54.620 7.678 1.00 36.12 ? 129 PRO K O 1 ATOM 2220 C CB . PRO G 1 129 ? -21.150 51.907 7.905 1.00 43.74 ? 129 PRO K CB 1 ATOM 2221 C CG . PRO G 1 129 ? -20.802 50.462 7.756 1.00 40.20 ? 129 PRO K CG 1 ATOM 2222 C CD . PRO G 1 129 ? -20.439 50.284 6.308 1.00 37.82 ? 129 PRO K CD 1 ATOM 2223 N N . LEU G 1 130 ? -18.056 52.711 7.881 1.00 34.04 ? 130 LEU K N 1 ATOM 2224 C CA . LEU G 1 130 ? -16.906 53.388 8.500 1.00 39.35 ? 130 LEU K CA 1 ATOM 2225 C C . LEU G 1 130 ? -16.236 54.341 7.512 1.00 38.99 ? 130 LEU K C 1 ATOM 2226 O O . LEU G 1 130 ? -15.899 55.481 7.861 1.00 35.59 ? 130 LEU K O 1 ATOM 2227 C CB . LEU G 1 130 ? -15.882 52.376 9.030 1.00 34.74 ? 130 LEU K CB 1 ATOM 2228 C CG . LEU G 1 130 ? -14.611 52.998 9.623 1.00 42.62 ? 130 LEU K CG 1 ATOM 2229 C CD1 . LEU G 1 130 ? -14.936 53.980 10.743 1.00 44.43 ? 130 LEU K CD1 1 ATOM 2230 C CD2 . LEU G 1 130 ? -13.649 51.930 10.115 1.00 36.56 ? 130 LEU K CD2 1 ATOM 2231 N N . LEU G 1 131 ? -16.060 53.889 6.273 1.00 32.41 ? 131 LEU K N 1 ATOM 2232 C CA . LEU G 1 131 ? -15.439 54.739 5.253 1.00 24.93 ? 131 LEU K CA 1 ATOM 2233 C C . LEU G 1 131 ? -16.272 55.986 5.011 1.00 36.96 ? 131 LEU K C 1 ATOM 2234 O O . LEU G 1 131 ? -15.742 57.090 4.934 1.00 30.71 ? 131 LEU K O 1 ATOM 2235 C CB . LEU G 1 131 ? -15.246 53.959 3.943 1.00 37.70 ? 131 LEU K CB 1 ATOM 2236 C CG . LEU G 1 131 ? -14.640 54.743 2.762 1.00 45.65 ? 131 LEU K CG 1 ATOM 2237 C CD1 . LEU G 1 131 ? -13.396 55.524 3.189 1.00 29.31 ? 131 LEU K CD1 1 ATOM 2238 C CD2 . LEU G 1 131 ? -14.326 53.828 1.561 1.00 39.28 ? 131 LEU K CD2 1 ATOM 2239 N N . MET G 1 132 ? -17.587 55.794 4.894 1.00 26.88 ? 132 MET K N 1 ATOM 2240 C CA . MET G 1 132 ? -18.511 56.906 4.660 1.00 35.11 ? 132 MET K CA 1 ATOM 2241 C C . MET G 1 132 ? -18.511 57.868 5.847 1.00 34.66 ? 132 MET K C 1 ATOM 2242 O O . MET G 1 132 ? -18.506 59.086 5.671 1.00 39.73 ? 132 MET K O 1 ATOM 2243 C CB . MET G 1 132 ? -19.922 56.368 4.373 1.00 38.36 ? 132 MET K CB 1 ATOM 2244 C CG . MET G 1 132 ? -20.968 57.418 3.995 1.00 60.34 ? 132 MET K CG 1 ATOM 2245 S SD . MET G 1 132 ? -20.687 58.251 2.412 1.00 71.24 ? 132 MET K SD 1 ATOM 2246 C CE . MET G 1 132 ? -19.428 57.213 1.673 1.00 37.21 ? 132 MET K CE 1 ATOM 2247 N N . SER G 1 133 ? -18.492 57.323 7.063 1.00 28.19 ? 133 SER K N 1 ATOM 2248 C CA . SER G 1 133 ? -18.389 58.165 8.258 1.00 36.95 ? 133 SER K CA 1 ATOM 2249 C C . SER G 1 133 ? -17.112 59.020 8.206 1.00 35.49 ? 133 SER K C 1 ATOM 2250 O O . SER G 1 133 ? -17.140 60.232 8.434 1.00 36.83 ? 133 SER K O 1 ATOM 2251 C CB . SER G 1 133 ? -18.406 57.307 9.539 1.00 27.47 ? 133 SER K CB 1 ATOM 2252 O OG . SER G 1 133 ? -18.225 58.126 10.665 1.00 45.22 ? 133 SER K OG 1 ATOM 2253 N N . ILE G 1 134 ? -15.994 58.395 7.868 1.00 33.72 ? 134 ILE K N 1 ATOM 2254 C CA . ILE G 1 134 ? -14.733 59.131 7.733 1.00 34.24 ? 134 ILE K CA 1 ATOM 2255 C C . ILE G 1 134 ? -14.806 60.235 6.658 1.00 43.14 ? 134 ILE K C 1 ATOM 2256 O O . ILE G 1 134 ? -14.398 61.376 6.878 1.00 35.56 ? 134 ILE K O 1 ATOM 2257 C CB . ILE G 1 134 ? -13.580 58.173 7.399 1.00 41.01 ? 134 ILE K CB 1 ATOM 2258 C CG1 . ILE G 1 134 ? -13.287 57.241 8.588 1.00 36.36 ? 134 ILE K CG1 1 ATOM 2259 C CG2 . ILE G 1 134 ? -12.331 58.952 6.977 1.00 32.86 ? 134 ILE K CG2 1 ATOM 2260 C CD1 . ILE G 1 134 ? -12.376 56.023 8.192 1.00 33.29 ? 134 ILE K CD1 1 ATOM 2261 N N . LEU G 1 135 ? -15.325 59.896 5.488 1.00 37.39 ? 135 LEU K N 1 ATOM 2262 C CA . LEU G 1 135 ? -15.452 60.880 4.426 1.00 29.90 ? 135 LEU K CA 1 ATOM 2263 C C . LEU G 1 135 ? -16.387 62.010 4.818 1.00 38.19 ? 135 LEU K C 1 ATOM 2264 O O . LEU G 1 135 ? -16.075 63.182 4.585 1.00 32.15 ? 135 LEU K O 1 ATOM 2265 C CB . LEU G 1 135 ? -15.941 60.211 3.139 1.00 34.83 ? 135 LEU K CB 1 ATOM 2266 C CG . LEU G 1 135 ? -14.870 59.304 2.523 1.00 49.55 ? 135 LEU K CG 1 ATOM 2267 C CD1 . LEU G 1 135 ? -15.438 58.398 1.441 1.00 39.92 ? 135 LEU K CD1 1 ATOM 2268 C CD2 . LEU G 1 135 ? -13.714 60.146 1.993 1.00 39.84 ? 135 LEU K CD2 1 ATOM 2269 N N . ASN G 1 136 ? -17.525 61.661 5.422 1.00 30.27 ? 136 ASN K N 1 ATOM 2270 C CA . ASN G 1 136 ? -18.499 62.670 5.838 1.00 38.57 ? 136 ASN K CA 1 ATOM 2271 C C . ASN G 1 136 ? -17.935 63.640 6.872 1.00 32.58 ? 136 ASN K C 1 ATOM 2272 O O . ASN G 1 136 ? -18.227 64.844 6.823 1.00 34.31 ? 136 ASN K O 1 ATOM 2273 C CB . ASN G 1 136 ? -19.772 62.001 6.383 1.00 29.81 ? 136 ASN K CB 1 ATOM 2274 C CG . ASN G 1 136 ? -20.660 61.425 5.263 1.00 45.17 ? 136 ASN K CG 1 ATOM 2275 O OD1 . ASN G 1 136 ? -20.470 61.727 4.083 1.00 45.06 ? 136 ASN K OD1 1 ATOM 2276 N ND2 . ASN G 1 136 ? -21.621 60.592 5.636 1.00 29.05 ? 136 ASN K ND2 1 ATOM 2277 N N . ARG G 1 137 ? -17.131 63.146 7.808 1.00 36.52 ? 137 ARG K N 1 ATOM 2278 C CA . ARG G 1 137 ? -16.657 64.035 8.863 1.00 39.43 ? 137 ARG K CA 1 ATOM 2279 C C . ARG G 1 137 ? -15.673 65.038 8.265 1.00 35.34 ? 137 ARG K C 1 ATOM 2280 O O . ARG G 1 137 ? -15.703 66.225 8.610 1.00 38.88 ? 137 ARG K O 1 ATOM 2281 C CB . ARG G 1 137 ? -16.016 63.259 10.029 1.00 32.45 ? 137 ARG K CB 1 ATOM 2282 C CG . ARG G 1 137 ? -15.564 64.188 11.153 1.00 39.86 ? 137 ARG K CG 1 ATOM 2283 C CD . ARG G 1 137 ? -15.086 63.450 12.406 1.00 39.75 ? 137 ARG K CD 1 ATOM 2284 N NE . ARG G 1 137 ? -13.767 62.859 12.274 1.00 45.03 ? 137 ARG K NE 1 ATOM 2285 C CZ . ARG G 1 137 ? -12.627 63.492 12.545 1.00 61.03 ? 137 ARG K CZ 1 ATOM 2286 N NH1 . ARG G 1 137 ? -12.635 64.761 12.958 1.00 34.74 ? 137 ARG K NH1 1 ATOM 2287 N NH2 . ARG G 1 137 ? -11.472 62.856 12.390 1.00 43.88 ? 137 ARG K NH2 1 ATOM 2288 N N . LEU G 1 138 ? -14.821 64.575 7.351 1.00 40.94 ? 138 LEU K N 1 ATOM 2289 C CA . LEU G 1 138 ? -13.891 65.482 6.676 1.00 42.04 ? 138 LEU K CA 1 ATOM 2290 C C . LEU G 1 138 ? -14.658 66.567 5.945 1.00 37.01 ? 138 LEU K C 1 ATOM 2291 O O . LEU G 1 138 ? -14.372 67.754 6.090 1.00 41.81 ? 138 LEU K O 1 ATOM 2292 C CB . LEU G 1 138 ? -12.993 64.740 5.686 1.00 39.72 ? 138 LEU K CB 1 ATOM 2293 C CG . LEU G 1 138 ? -11.994 65.637 4.940 1.00 47.52 ? 138 LEU K CG 1 ATOM 2294 C CD1 . LEU G 1 138 ? -10.923 66.167 5.889 1.00 35.58 ? 138 LEU K CD1 1 ATOM 2295 C CD2 . LEU G 1 138 ? -11.356 64.905 3.767 1.00 41.65 ? 138 LEU K CD2 1 ATOM 2296 N N . GLN G 1 139 ? -15.653 66.158 5.170 1.00 38.55 ? 139 GLN K N 1 ATOM 2297 C CA . GLN G 1 139 ? -16.461 67.126 4.448 1.00 47.20 ? 139 GLN K CA 1 ATOM 2298 C C . GLN G 1 139 ? -17.078 68.119 5.425 1.00 50.07 ? 139 GLN K C 1 ATOM 2299 O O . GLN G 1 139 ? -17.026 69.332 5.212 1.00 49.40 ? 139 GLN K O 1 ATOM 2300 C CB . GLN G 1 139 ? -17.542 66.426 3.642 1.00 35.69 ? 139 GLN K CB 1 ATOM 2301 C CG . GLN G 1 139 ? -18.374 67.353 2.795 1.00 53.37 ? 139 GLN K CG 1 ATOM 2302 C CD . GLN G 1 139 ? -19.378 66.581 1.957 1.00 69.38 ? 139 GLN K CD 1 ATOM 2303 O OE1 . GLN G 1 139 ? -19.067 65.514 1.428 1.00 65.22 ? 139 GLN K OE1 1 ATOM 2304 N NE2 . GLN G 1 139 ? -20.591 67.105 1.850 1.00 76.38 ? 139 GLN K NE2 1 ATOM 2305 N N . PHE G 1 140 ? -17.649 67.607 6.508 1.00 42.30 ? 140 PHE K N 1 ATOM 2306 C CA . PHE G 1 140 ? -18.240 68.495 7.510 1.00 41.27 ? 140 PHE K CA 1 ATOM 2307 C C . PHE G 1 140 ? -17.207 69.444 8.127 1.00 44.94 ? 140 PHE K C 1 ATOM 2308 O O . PHE G 1 140 ? -17.437 70.654 8.181 1.00 43.35 ? 140 PHE K O 1 ATOM 2309 C CB . PHE G 1 140 ? -18.930 67.696 8.610 1.00 43.89 ? 140 PHE K CB 1 ATOM 2310 C CG . PHE G 1 140 ? -19.661 68.552 9.594 1.00 49.05 ? 140 PHE K CG 1 ATOM 2311 C CD1 . PHE G 1 140 ? -20.960 68.967 9.342 1.00 47.18 ? 140 PHE K CD1 1 ATOM 2312 C CD2 . PHE G 1 140 ? -19.047 68.961 10.768 1.00 44.82 ? 140 PHE K CD2 1 ATOM 2313 C CE1 . PHE G 1 140 ? -21.643 69.767 10.243 1.00 55.23 ? 140 PHE K CE1 1 ATOM 2314 C CE2 . PHE G 1 140 ? -19.733 69.764 11.686 1.00 53.62 ? 140 PHE K CE2 1 ATOM 2315 C CZ . PHE G 1 140 ? -21.029 70.166 11.418 1.00 39.22 ? 140 PHE K CZ 1 ATOM 2316 N N . ASN G 1 141 ? -16.076 68.914 8.595 1.00 38.53 ? 141 ASN K N 1 ATOM 2317 C CA . ASN G 1 141 ? -15.046 69.794 9.158 1.00 48.60 ? 141 ASN K CA 1 ATOM 2318 C C . ASN G 1 141 ? -14.549 70.851 8.158 1.00 57.02 ? 141 ASN K C 1 ATOM 2319 O O . ASN G 1 141 ? -14.361 72.003 8.532 1.00 60.36 ? 141 ASN K O 1 ATOM 2320 C CB . ASN G 1 141 ? -13.840 69.001 9.664 1.00 37.25 ? 141 ASN K CB 1 ATOM 2321 C CG . ASN G 1 141 ? -14.187 68.002 10.750 1.00 49.14 ? 141 ASN K CG 1 ATOM 2322 O OD1 . ASN G 1 141 ? -13.454 67.032 10.944 1.00 43.91 ? 141 ASN K OD1 1 ATOM 2323 N ND2 . ASN G 1 141 ? -15.301 68.223 11.462 1.00 36.77 ? 141 ASN K ND2 1 ATOM 2324 N N . LEU G 1 142 ? -14.319 70.461 6.902 1.00 50.56 ? 142 LEU K N 1 ATOM 2325 C CA . LEU G 1 142 ? -13.822 71.404 5.896 1.00 57.72 ? 142 LEU K CA 1 ATOM 2326 C C . LEU G 1 142 ? -14.830 72.516 5.635 1.00 61.87 ? 142 LEU K C 1 ATOM 2327 O O . LEU G 1 142 ? -14.463 73.683 5.493 1.00 62.38 ? 142 LEU K O 1 ATOM 2328 C CB . LEU G 1 142 ? -13.482 70.687 4.577 1.00 48.36 ? 142 LEU K CB 1 ATOM 2329 C CG . LEU G 1 142 ? -12.231 69.802 4.619 1.00 54.20 ? 142 LEU K CG 1 ATOM 2330 C CD1 . LEU G 1 142 ? -11.957 69.157 3.273 1.00 50.54 ? 142 LEU K CD1 1 ATOM 2331 C CD2 . LEU G 1 142 ? -11.014 70.589 5.113 1.00 51.02 ? 142 LEU K CD2 1 ATOM 2332 N N . ASN G 1 143 ? -16.103 72.150 5.581 1.00 53.96 ? 143 ASN K N 1 ATOM 2333 C CA . ASN G 1 143 ? -17.164 73.115 5.333 1.00 57.95 ? 143 ASN K CA 1 ATOM 2334 C C . ASN G 1 143 ? -17.488 73.989 6.548 1.00 68.80 ? 143 ASN K C 1 ATOM 2335 O O . ASN G 1 143 ? -17.733 75.183 6.404 1.00 82.65 ? 143 ASN K O 1 ATOM 2336 C CB . ASN G 1 143 ? -18.430 72.393 4.866 1.00 69.52 ? 143 ASN K CB 1 ATOM 2337 C CG . ASN G 1 143 ? -18.385 72.020 3.391 1.00 55.81 ? 143 ASN K CG 1 ATOM 2338 O OD1 . ASN G 1 143 ? -17.913 72.788 2.563 1.00 72.18 ? 143 ASN K OD1 1 ATOM 2339 N ND2 . ASN G 1 143 ? -18.884 70.839 3.062 1.00 61.84 ? 143 ASN K ND2 1 ATOM 2340 N N . ASN G 1 144 ? -17.489 73.400 7.740 1.00 71.76 ? 144 ASN K N 1 ATOM 2341 C CA . ASN G 1 144 ? -17.931 74.117 8.939 1.00 68.16 ? 144 ASN K CA 1 ATOM 2342 C C . ASN G 1 144 ? -16.805 74.505 9.884 1.00 81.27 ? 144 ASN K C 1 ATOM 2343 O O . ASN G 1 144 ? -16.437 75.676 9.969 1.00 105.85 ? 144 ASN K O 1 ATOM 2344 C CB . ASN G 1 144 ? -18.959 73.283 9.704 1.00 58.26 ? 144 ASN K CB 1 ATOM 2345 C CG . ASN G 1 144 ? -20.288 73.184 8.977 1.00 72.12 ? 144 ASN K CG 1 ATOM 2346 O OD1 . ASN G 1 144 ? -20.459 72.353 8.084 1.00 74.91 ? 144 ASN K OD1 1 ATOM 2347 N ND2 . ASN G 1 144 ? -21.240 74.029 9.361 1.00 83.25 ? 144 ASN K ND2 1 ATOM 2348 N N . ASP G 1 145 ? -16.255 73.516 10.587 1.00 87.95 ? 145 ASP K N 1 ATOM 2349 C CA . ASP G 1 145 ? -15.253 73.757 11.629 1.00 85.56 ? 145 ASP K CA 1 ATOM 2350 C C . ASP G 1 145 ? -13.954 74.358 11.097 1.00 91.49 ? 145 ASP K C 1 ATOM 2351 O O . ASP G 1 145 ? -12.998 74.565 11.850 1.00 94.30 ? 145 ASP K O 1 ATOM 2352 C CB . ASP G 1 145 ? -14.950 72.458 12.370 1.00 77.31 ? 145 ASP K CB 1 ATOM 2353 C CG . ASP G 1 145 ? -16.192 71.823 12.955 1.00 69.59 ? 145 ASP K CG 1 ATOM 2354 O OD1 . ASP G 1 145 ? -16.770 72.402 13.898 1.00 93.95 ? 145 ASP K OD1 1 ATOM 2355 O OD2 . ASP G 1 145 ? -16.587 70.743 12.473 1.00 52.43 ? 145 ASP K OD2 1 ATOM 2356 N N . ILE G 1 146 ? -13.929 74.613 9.794 1.00 94.41 ? 146 ILE K N 1 ATOM 2357 C CA . ILE G 1 146 ? -12.862 75.358 9.145 1.00 88.14 ? 146 ILE K CA 1 ATOM 2358 C C . ILE G 1 146 ? -13.507 76.164 8.021 1.00 101.19 ? 146 ILE K C 1 ATOM 2359 O O . ILE G 1 146 ? -14.666 75.917 7.666 1.00 89.96 ? 146 ILE K O 1 ATOM 2360 C CB . ILE G 1 146 ? -11.756 74.437 8.574 1.00 83.38 ? 146 ILE K CB 1 ATOM 2361 C CG1 . ILE G 1 146 ? -11.332 73.381 9.598 1.00 85.85 ? 146 ILE K CG1 1 ATOM 2362 C CG2 . ILE G 1 146 ? -10.555 75.253 8.133 1.00 88.87 ? 146 ILE K CG2 1 ATOM 2363 C CD1 . ILE G 1 146 ? -10.349 72.352 9.043 1.00 67.72 ? 146 ILE K CD1 1 ATOM 2364 N N . GLN G 1 147 ? -12.768 77.124 7.470 1.00 107.61 ? 147 GLN K N 1 ATOM 2365 C CA . GLN G 1 147 ? -13.251 77.920 6.344 1.00 115.89 ? 147 GLN K CA 1 ATOM 2366 C C . GLN G 1 147 ? -12.232 78.982 5.946 1.00 115.32 ? 147 GLN K C 1 ATOM 2367 O O . GLN G 1 147 ? -11.433 79.428 6.770 1.00 126.82 ? 147 GLN K O 1 ATOM 2368 C CB . GLN G 1 147 ? -14.592 78.580 6.682 1.00 116.70 ? 147 GLN K CB 1 ATOM 2369 C CG . GLN G 1 147 ? -15.230 79.326 5.524 1.00 119.76 ? 147 GLN K CG 1 ATOM 2370 C CD . GLN G 1 147 ? -16.647 79.766 5.833 1.00 129.98 ? 147 GLN K CD 1 ATOM 2371 O OE1 . GLN G 1 147 ? -17.205 79.411 6.870 1.00 126.68 ? 147 GLN K OE1 1 ATOM 2372 N NE2 . GLN G 1 147 ? -17.238 80.542 4.931 1.00 143.56 ? 147 GLN K NE2 1 ATOM 2373 N N . LYS H 1 157 ? -3.704 81.873 5.500 1.00 110.00 ? 157 LYS L N 1 ATOM 2374 C CA . LYS H 1 157 ? -3.383 82.531 6.762 1.00 126.99 ? 157 LYS L CA 1 ATOM 2375 C C . LYS H 1 157 ? -3.169 81.518 7.884 1.00 121.48 ? 157 LYS L C 1 ATOM 2376 O O . LYS H 1 157 ? -2.341 80.614 7.767 1.00 122.77 ? 157 LYS L O 1 ATOM 2377 C CB . LYS H 1 157 ? -4.490 83.513 7.151 1.00 124.71 ? 157 LYS L CB 1 ATOM 2378 C CG . LYS H 1 157 ? -4.731 84.616 6.133 1.00 111.35 ? 157 LYS L CG 1 ATOM 2379 C CD . LYS H 1 157 ? -5.798 85.580 6.622 1.00 120.44 ? 157 LYS L CD 1 ATOM 2380 C CE . LYS H 1 157 ? -7.068 84.840 7.013 1.00 122.22 ? 157 LYS L CE 1 ATOM 2381 N NZ . LYS H 1 157 ? -7.617 84.046 5.878 1.00 112.19 ? 157 LYS L NZ 1 ATOM 2382 N N . ASN H 1 158 ? -3.917 81.680 8.970 1.00 122.56 ? 158 ASN L N 1 ATOM 2383 C CA . ASN H 1 158 ? -3.825 80.772 10.109 1.00 128.47 ? 158 ASN L CA 1 ATOM 2384 C C . ASN H 1 158 ? -4.768 79.582 9.958 1.00 127.51 ? 158 ASN L C 1 ATOM 2385 O O . ASN H 1 158 ? -4.488 78.488 10.449 1.00 119.50 ? 158 ASN L O 1 ATOM 2386 C CB . ASN H 1 158 ? -4.128 81.516 11.413 1.00 134.06 ? 158 ASN L CB 1 ATOM 2387 C CG . ASN H 1 158 ? -3.961 80.636 12.640 1.00 131.67 ? 158 ASN L CG 1 ATOM 2388 O OD1 . ASN H 1 158 ? -3.114 79.744 12.669 1.00 118.71 ? 158 ASN L OD1 1 ATOM 2389 N ND2 . ASN H 1 158 ? -4.776 80.884 13.660 1.00 139.69 ? 158 ASN L ND2 1 ATOM 2390 N N . SER H 1 159 ? -5.889 79.801 9.278 1.00 131.35 ? 159 SER L N 1 ATOM 2391 C CA . SER H 1 159 ? -6.867 78.742 9.065 1.00 120.89 ? 159 SER L CA 1 ATOM 2392 C C . SER H 1 159 ? -6.325 77.691 8.103 1.00 105.26 ? 159 SER L C 1 ATOM 2393 O O . SER H 1 159 ? -6.679 76.515 8.191 1.00 100.85 ? 159 SER L O 1 ATOM 2394 C CB . SER H 1 159 ? -8.185 79.318 8.537 1.00 122.10 ? 159 SER L CB 1 ATOM 2395 O OG . SER H 1 159 ? -7.991 80.012 7.317 1.00 117.45 ? 159 SER L OG 1 ATOM 2396 N N . GLU H 1 160 ? -5.457 78.118 7.191 1.00 101.10 ? 160 GLU L N 1 ATOM 2397 C CA . GLU H 1 160 ? -4.879 77.210 6.208 1.00 96.67 ? 160 GLU L CA 1 ATOM 2398 C C . GLU H 1 160 ? -3.969 76.180 6.869 1.00 90.89 ? 160 GLU L C 1 ATOM 2399 O O . GLU H 1 160 ? -3.819 75.061 6.377 1.00 79.91 ? 160 GLU L O 1 ATOM 2400 C CB . GLU H 1 160 ? -4.104 77.990 5.147 1.00 97.97 ? 160 GLU L CB 1 ATOM 2401 C CG . GLU H 1 160 ? -3.507 77.114 4.062 1.00 102.84 ? 160 GLU L CG 1 ATOM 2402 C CD . GLU H 1 160 ? -2.750 77.913 3.025 1.00 116.94 ? 160 GLU L CD 1 ATOM 2403 O OE1 . GLU H 1 160 ? -2.417 77.346 1.963 1.00 104.11 ? 160 GLU L OE1 1 ATOM 2404 O OE2 . GLU H 1 160 ? -2.488 79.110 3.275 1.00 125.24 ? 160 GLU L OE2 1 ATOM 2405 N N . MET H 1 161 ? -3.357 76.560 7.984 1.00 87.68 ? 161 MET L N 1 ATOM 2406 C CA . MET H 1 161 ? -2.534 75.625 8.735 1.00 88.33 ? 161 MET L CA 1 ATOM 2407 C C . MET H 1 161 ? -3.405 74.500 9.286 1.00 82.55 ? 161 MET L C 1 ATOM 2408 O O . MET H 1 161 ? -2.979 73.348 9.352 1.00 75.86 ? 161 MET L O 1 ATOM 2409 C CB . MET H 1 161 ? -1.799 76.335 9.874 1.00 100.21 ? 161 MET L CB 1 ATOM 2410 C CG . MET H 1 161 ? -0.898 75.424 10.697 1.00 108.78 ? 161 MET L CG 1 ATOM 2411 S SD . MET H 1 161 ? 0.531 74.826 9.770 1.00 147.91 ? 161 MET L SD 1 ATOM 2412 C CE . MET H 1 161 ? 1.313 73.763 10.985 1.00 100.42 ? 161 MET L CE 1 ATOM 2413 N N . LYS H 1 162 ? -4.629 74.845 9.673 1.00 81.71 ? 162 LYS L N 1 ATOM 2414 C CA . LYS H 1 162 ? -5.561 73.877 10.233 1.00 71.22 ? 162 LYS L CA 1 ATOM 2415 C C . LYS H 1 162 ? -5.984 72.867 9.172 1.00 76.50 ? 162 LYS L C 1 ATOM 2416 O O . LYS H 1 162 ? -5.867 71.654 9.369 1.00 71.56 ? 162 LYS L O 1 ATOM 2417 C CB . LYS H 1 162 ? -6.785 74.590 10.812 1.00 86.68 ? 162 LYS L CB 1 ATOM 2418 C CG . LYS H 1 162 ? -6.446 75.702 11.796 1.00 96.14 ? 162 LYS L CG 1 ATOM 2419 C CD . LYS H 1 162 ? -7.691 76.466 12.228 1.00 120.97 ? 162 LYS L CD 1 ATOM 2420 C CE . LYS H 1 162 ? -7.347 77.605 13.182 1.00 125.87 ? 162 LYS L CE 1 ATOM 2421 N NZ . LYS H 1 162 ? -8.531 78.456 13.497 1.00 117.21 ? 162 LYS L NZ 1 ATOM 2422 N N . ILE H 1 163 ? -6.463 73.383 8.044 1.00 69.08 ? 163 ILE L N 1 ATOM 2423 C CA . ILE H 1 163 ? -6.874 72.558 6.913 1.00 60.07 ? 163 ILE L CA 1 ATOM 2424 C C . ILE H 1 163 ? -5.856 71.472 6.577 1.00 55.27 ? 163 ILE L C 1 ATOM 2425 O O . ILE H 1 163 ? -6.219 70.320 6.355 1.00 55.65 ? 163 ILE L O 1 ATOM 2426 C CB . ILE H 1 163 ? -7.113 73.413 5.661 1.00 71.92 ? 163 ILE L CB 1 ATOM 2427 C CG1 . ILE H 1 163 ? -8.254 74.402 5.902 1.00 77.07 ? 163 ILE L CG1 1 ATOM 2428 C CG2 . ILE H 1 163 ? -7.430 72.532 4.458 1.00 65.64 ? 163 ILE L CG2 1 ATOM 2429 C CD1 . ILE H 1 163 ? -8.601 75.229 4.675 1.00 64.19 ? 163 ILE L CD1 1 ATOM 2430 N N . ASN H 1 164 ? -4.578 71.817 6.556 1.00 48.63 ? 164 ASN L N 1 ATOM 2431 C CA . ASN H 1 164 ? -3.584 70.812 6.222 1.00 52.82 ? 164 ASN L CA 1 ATOM 2432 C C . ASN H 1 164 ? -3.391 69.780 7.336 1.00 62.61 ? 164 ASN L C 1 ATOM 2433 O O . ASN H 1 164 ? -3.255 68.583 7.063 1.00 59.25 ? 164 ASN L O 1 ATOM 2434 C CB . ASN H 1 164 ? -2.260 71.483 5.855 1.00 66.12 ? 164 ASN L CB 1 ATOM 2435 C CG . ASN H 1 164 ? -2.285 72.078 4.448 1.00 81.12 ? 164 ASN L CG 1 ATOM 2436 O OD1 . ASN H 1 164 ? -1.899 71.424 3.483 1.00 83.44 ? 164 ASN L OD1 1 ATOM 2437 N ND2 . ASN H 1 164 ? -2.764 73.312 4.328 1.00 77.74 ? 164 ASN L ND2 1 ATOM 2438 N N . LEU H 1 165 ? -3.395 70.231 8.587 1.00 57.28 ? 165 LEU L N 1 ATOM 2439 C CA . LEU H 1 165 ? -3.309 69.306 9.708 1.00 51.65 ? 165 LEU L CA 1 ATOM 2440 C C . LEU H 1 165 ? -4.489 68.346 9.655 1.00 39.50 ? 165 LEU L C 1 ATOM 2441 O O . LEU H 1 165 ? -4.336 67.144 9.849 1.00 39.55 ? 165 LEU L O 1 ATOM 2442 C CB . LEU H 1 165 ? -3.288 70.053 11.050 1.00 62.34 ? 165 LEU L CB 1 ATOM 2443 C CG . LEU H 1 165 ? -2.102 70.988 11.305 1.00 80.38 ? 165 LEU L CG 1 ATOM 2444 C CD1 . LEU H 1 165 ? -2.243 71.723 12.632 1.00 57.34 ? 165 LEU L CD1 1 ATOM 2445 C CD2 . LEU H 1 165 ? -0.783 70.228 11.251 1.00 61.99 ? 165 LEU L CD2 1 ATOM 2446 N N . ARG H 1 166 ? -5.665 68.877 9.362 1.00 34.53 ? 166 ARG L N 1 ATOM 2447 C CA . ARG H 1 166 ? -6.840 68.027 9.203 1.00 46.72 ? 166 ARG L CA 1 ATOM 2448 C C . ARG H 1 166 ? -6.648 67.019 8.076 1.00 51.12 ? 166 ARG L C 1 ATOM 2449 O O . ARG H 1 166 ? -7.039 65.852 8.188 1.00 46.80 ? 166 ARG L O 1 ATOM 2450 C CB . ARG H 1 166 ? -8.075 68.878 8.941 1.00 43.84 ? 166 ARG L CB 1 ATOM 2451 C CG . ARG H 1 166 ? -9.367 68.085 8.874 1.00 61.74 ? 166 ARG L CG 1 ATOM 2452 C CD . ARG H 1 166 ? -9.648 67.363 10.178 1.00 52.83 ? 166 ARG L CD 1 ATOM 2453 N NE . ARG H 1 166 ? -10.876 66.587 10.089 1.00 44.70 ? 166 ARG L NE 1 ATOM 2454 C CZ . ARG H 1 166 ? -10.925 65.307 9.749 1.00 49.45 ? 166 ARG L CZ 1 ATOM 2455 N NH1 . ARG H 1 166 ? -9.800 64.656 9.470 1.00 38.86 ? 166 ARG L NH1 1 ATOM 2456 N NH2 . ARG H 1 166 ? -12.097 64.679 9.686 1.00 36.14 ? 166 ARG L NH2 1 ATOM 2457 N N . LEU H 1 167 ? -6.031 67.467 6.989 1.00 42.27 ? 167 LEU L N 1 ATOM 2458 C CA . LEU H 1 167 ? -5.870 66.611 5.821 1.00 39.15 ? 167 LEU L CA 1 ATOM 2459 C C . LEU H 1 167 ? -4.810 65.559 6.080 1.00 38.96 ? 167 LEU L C 1 ATOM 2460 O O . LEU H 1 167 ? -4.939 64.422 5.627 1.00 45.13 ? 167 LEU L O 1 ATOM 2461 C CB . LEU H 1 167 ? -5.521 67.440 4.582 1.00 45.23 ? 167 LEU L CB 1 ATOM 2462 C CG . LEU H 1 167 ? -6.728 68.163 3.985 1.00 49.64 ? 167 LEU L CG 1 ATOM 2463 C CD1 . LEU H 1 167 ? -6.293 69.216 2.959 1.00 62.38 ? 167 LEU L CD1 1 ATOM 2464 C CD2 . LEU H 1 167 ? -7.674 67.152 3.350 1.00 41.15 ? 167 LEU L CD2 1 ATOM 2465 N N . GLU H 1 168 ? -3.764 65.926 6.816 1.00 43.70 ? 168 GLU L N 1 ATOM 2466 C CA . GLU H 1 168 ? -2.743 64.950 7.201 1.00 49.51 ? 168 GLU L CA 1 ATOM 2467 C C . GLU H 1 168 ? -3.335 63.801 8.010 1.00 47.46 ? 168 GLU L C 1 ATOM 2468 O O . GLU H 1 168 ? -2.962 62.645 7.810 1.00 45.00 ? 168 GLU L O 1 ATOM 2469 C CB . GLU H 1 168 ? -1.621 65.614 8.001 1.00 49.58 ? 168 GLU L CB 1 ATOM 2470 C CG . GLU H 1 168 ? -0.931 66.759 7.277 1.00 61.31 ? 168 GLU L CG 1 ATOM 2471 C CD . GLU H 1 168 ? -0.357 66.358 5.920 1.00 89.12 ? 168 GLU L CD 1 ATOM 2472 O OE1 . GLU H 1 168 ? -0.221 65.142 5.651 1.00 81.95 ? 168 GLU L OE1 1 ATOM 2473 O OE2 . GLU H 1 168 ? -0.040 67.266 5.120 1.00 75.71 ? 168 GLU L OE2 1 ATOM 2474 N N . GLN H 1 169 ? -4.254 64.118 8.920 1.00 43.01 ? 169 GLN L N 1 ATOM 2475 C CA . GLN H 1 169 ? -4.962 63.091 9.684 1.00 41.08 ? 169 GLN L CA 1 ATOM 2476 C C . GLN H 1 169 ? -5.774 62.169 8.790 1.00 38.67 ? 169 GLN L C 1 ATOM 2477 O O . GLN H 1 169 ? -5.757 60.947 8.942 1.00 45.90 ? 169 GLN L O 1 ATOM 2478 C CB . GLN H 1 169 ? -5.907 63.737 10.706 1.00 44.23 ? 169 GLN L CB 1 ATOM 2479 C CG . GLN H 1 169 ? -5.278 64.083 12.023 1.00 50.38 ? 169 GLN L CG 1 ATOM 2480 C CD . GLN H 1 169 ? -6.286 64.690 12.975 1.00 75.27 ? 169 GLN L CD 1 ATOM 2481 O OE1 . GLN H 1 169 ? -7.155 65.464 12.566 1.00 64.85 ? 169 GLN L OE1 1 ATOM 2482 N NE2 . GLN H 1 169 ? -6.190 64.329 14.250 1.00 68.38 ? 169 GLN L NE2 1 ATOM 2483 N N . PHE H 1 170 ? -6.539 62.775 7.891 1.00 34.56 ? 170 PHE L N 1 ATOM 2484 C CA . PHE H 1 170 ? -7.343 62.019 6.944 1.00 34.27 ? 170 PHE L CA 1 ATOM 2485 C C . PHE H 1 170 ? -6.483 61.024 6.168 1.00 37.25 ? 170 PHE L C 1 ATOM 2486 O O . PHE H 1 170 ? -6.815 59.838 6.071 1.00 39.26 ? 170 PHE L O 1 ATOM 2487 C CB . PHE H 1 170 ? -8.062 62.974 5.995 1.00 34.05 ? 170 PHE L CB 1 ATOM 2488 C CG . PHE H 1 170 ? -8.912 62.289 4.984 1.00 51.21 ? 170 PHE L CG 1 ATOM 2489 C CD1 . PHE H 1 170 ? -10.109 61.697 5.360 1.00 52.07 ? 170 PHE L CD1 1 ATOM 2490 C CD2 . PHE H 1 170 ? -8.527 62.247 3.639 1.00 40.67 ? 170 PHE L CD2 1 ATOM 2491 C CE1 . PHE H 1 170 ? -10.906 61.060 4.422 1.00 47.76 ? 170 PHE L CE1 1 ATOM 2492 C CE2 . PHE H 1 170 ? -9.327 61.611 2.694 1.00 29.34 ? 170 PHE L CE2 1 ATOM 2493 C CZ . PHE H 1 170 ? -10.512 61.023 3.083 1.00 49.69 ? 170 PHE L CZ 1 ATOM 2494 N N . LYS H 1 171 ? -5.351 61.488 5.661 1.00 33.97 ? 171 LYS L N 1 ATOM 2495 C CA . LYS H 1 171 ? -4.507 60.640 4.830 1.00 40.96 ? 171 LYS L CA 1 ATOM 2496 C C . LYS H 1 171 ? -4.023 59.406 5.575 1.00 42.14 ? 171 LYS L C 1 ATOM 2497 O O . LYS H 1 171 ? -4.102 58.298 5.043 1.00 43.03 ? 171 LYS L O 1 ATOM 2498 C CB . LYS H 1 171 ? -3.332 61.452 4.277 1.00 40.78 ? 171 LYS L CB 1 ATOM 2499 C CG . LYS H 1 171 ? -3.830 62.641 3.443 1.00 49.36 ? 171 LYS L CG 1 ATOM 2500 C CD . LYS H 1 171 ? -2.760 63.229 2.547 1.00 55.54 ? 171 LYS L CD 1 ATOM 2501 C CE . LYS H 1 171 ? -1.520 63.614 3.318 1.00 63.67 ? 171 LYS L CE 1 ATOM 2502 N NZ . LYS H 1 171 ? -0.626 64.472 2.510 1.00 49.80 ? 171 LYS L NZ 1 ATOM 2503 N N . LYS H 1 172 ? -3.558 59.574 6.814 1.00 42.70 ? 172 LYS L N 1 ATOM 2504 C CA . LYS H 1 172 ? -3.139 58.423 7.621 1.00 49.26 ? 172 LYS L CA 1 ATOM 2505 C C . LYS H 1 172 ? -4.306 57.483 7.940 1.00 31.80 ? 172 LYS L C 1 ATOM 2506 O O . LYS H 1 172 ? -4.156 56.265 7.902 1.00 44.49 ? 172 LYS L O 1 ATOM 2507 C CB . LYS H 1 172 ? -2.469 58.890 8.921 1.00 54.26 ? 172 LYS L CB 1 ATOM 2508 C CG . LYS H 1 172 ? -1.192 59.699 8.680 1.00 64.26 ? 172 LYS L CG 1 ATOM 2509 C CD . LYS H 1 172 ? -0.691 60.389 9.943 1.00 75.62 ? 172 LYS L CD 1 ATOM 2510 C CE . LYS H 1 172 ? 0.490 61.303 9.634 1.00 97.60 ? 172 LYS L CE 1 ATOM 2511 N NZ . LYS H 1 172 ? 1.040 61.961 10.852 1.00 94.64 ? 172 LYS L NZ 1 ATOM 2512 N N . GLU H 1 173 ? -5.457 58.049 8.267 1.00 36.38 ? 173 GLU L N 1 ATOM 2513 C CA . GLU H 1 173 ? -6.667 57.266 8.513 1.00 32.83 ? 173 GLU L CA 1 ATOM 2514 C C . GLU H 1 173 ? -7.080 56.423 7.303 1.00 38.91 ? 173 GLU L C 1 ATOM 2515 O O . GLU H 1 173 ? -7.374 55.230 7.424 1.00 39.24 ? 173 GLU L O 1 ATOM 2516 C CB . GLU H 1 173 ? -7.809 58.212 8.914 1.00 36.02 ? 173 GLU L CB 1 ATOM 2517 C CG . GLU H 1 173 ? -9.171 57.535 9.072 1.00 36.49 ? 173 GLU L CG 1 ATOM 2518 C CD . GLU H 1 173 ? -9.216 56.559 10.231 1.00 39.71 ? 173 GLU L CD 1 ATOM 2519 O OE1 . GLU H 1 173 ? -8.198 56.381 10.934 1.00 46.25 ? 173 GLU L OE1 1 ATOM 2520 O OE2 . GLU H 1 173 ? -10.282 55.961 10.446 1.00 47.34 ? 173 GLU L OE2 1 ATOM 2521 N N . LEU H 1 174 ? -7.092 57.044 6.129 1.00 34.02 ? 174 LEU L N 1 ATOM 2522 C CA . LEU H 1 174 ? -7.431 56.340 4.880 1.00 37.55 ? 174 LEU L CA 1 ATOM 2523 C C . LEU H 1 174 ? -6.488 55.189 4.587 1.00 31.04 ? 174 LEU L C 1 ATOM 2524 O O . LEU H 1 174 ? -6.907 54.081 4.215 1.00 36.81 ? 174 LEU L O 1 ATOM 2525 C CB . LEU H 1 174 ? -7.418 57.309 3.699 1.00 43.47 ? 174 LEU L CB 1 ATOM 2526 C CG . LEU H 1 174 ? -8.802 57.657 3.190 1.00 46.08 ? 174 LEU L CG 1 ATOM 2527 C CD1 . LEU H 1 174 ? -9.440 56.440 2.563 1.00 42.94 ? 174 LEU L CD1 1 ATOM 2528 C CD2 . LEU H 1 174 ? -9.630 58.148 4.376 1.00 47.11 ? 174 LEU L CD2 1 ATOM 2529 N N . VAL H 1 175 ? -5.203 55.439 4.768 1.00 36.64 ? 175 VAL L N 1 ATOM 2530 C CA . VAL H 1 175 ? -4.228 54.380 4.556 1.00 44.20 ? 175 VAL L CA 1 ATOM 2531 C C . VAL H 1 175 ? -4.471 53.239 5.537 1.00 45.15 ? 175 VAL L C 1 ATOM 2532 O O . VAL H 1 175 ? -4.459 52.069 5.156 1.00 46.59 ? 175 VAL L O 1 ATOM 2533 C CB . VAL H 1 175 ? -2.794 54.893 4.701 1.00 51.62 ? 175 VAL L CB 1 ATOM 2534 C CG1 . VAL H 1 175 ? -1.840 53.721 4.820 1.00 44.40 ? 175 VAL L CG1 1 ATOM 2535 C CG2 . VAL H 1 175 ? -2.436 55.780 3.520 1.00 47.86 ? 175 VAL L CG2 1 ATOM 2536 N N . LEU H 1 176 ? -4.692 53.572 6.805 1.00 38.40 ? 176 LEU L N 1 ATOM 2537 C CA . LEU H 1 176 ? -5.023 52.545 7.787 1.00 36.88 ? 176 LEU L CA 1 ATOM 2538 C C . LEU H 1 176 ? -6.256 51.783 7.349 1.00 33.08 ? 176 LEU L C 1 ATOM 2539 O O . LEU H 1 176 ? -6.304 50.555 7.408 1.00 40.02 ? 176 LEU L O 1 ATOM 2540 C CB . LEU H 1 176 ? -5.290 53.156 9.162 1.00 45.14 ? 176 LEU L CB 1 ATOM 2541 C CG . LEU H 1 176 ? -4.148 53.429 10.127 1.00 57.59 ? 176 LEU L CG 1 ATOM 2542 C CD1 . LEU H 1 176 ? -4.752 53.773 11.494 1.00 53.29 ? 176 LEU L CD1 1 ATOM 2543 C CD2 . LEU H 1 176 ? -3.229 52.228 10.230 1.00 47.26 ? 176 LEU L CD2 1 ATOM 2544 N N . TYR H 1 177 ? -7.277 52.530 6.948 1.00 33.65 ? 177 TYR L N 1 ATOM 2545 C CA . TYR H 1 177 ? -8.503 51.901 6.509 1.00 34.50 ? 177 TYR L CA 1 ATOM 2546 C C . TYR H 1 177 ? -8.234 50.904 5.375 1.00 43.58 ? 177 TYR L C 1 ATOM 2547 O O . TYR H 1 177 ? -8.645 49.738 5.444 1.00 37.71 ? 177 TYR L O 1 ATOM 2548 C CB . TYR H 1 177 ? -9.527 52.952 6.073 1.00 33.80 ? 177 TYR L CB 1 ATOM 2549 C CG . TYR H 1 177 ? -10.734 52.301 5.447 1.00 39.12 ? 177 TYR L CG 1 ATOM 2550 C CD1 . TYR H 1 177 ? -11.772 51.833 6.237 1.00 36.85 ? 177 TYR L CD1 1 ATOM 2551 C CD2 . TYR H 1 177 ? -10.812 52.107 4.060 1.00 42.16 ? 177 TYR L CD2 1 ATOM 2552 C CE1 . TYR H 1 177 ? -12.875 51.211 5.679 1.00 37.19 ? 177 TYR L CE1 1 ATOM 2553 C CE2 . TYR H 1 177 ? -11.910 51.479 3.489 1.00 41.41 ? 177 TYR L CE2 1 ATOM 2554 C CZ . TYR H 1 177 ? -12.942 51.043 4.303 1.00 35.23 ? 177 TYR L CZ 1 ATOM 2555 O OH . TYR H 1 177 ? -14.039 50.416 3.782 1.00 41.80 ? 177 TYR L OH 1 ATOM 2556 N N . GLU H 1 178 ? -7.508 51.338 4.346 1.00 41.08 ? 178 GLU L N 1 ATOM 2557 C CA . GLU H 1 178 ? -7.264 50.458 3.205 1.00 48.60 ? 178 GLU L CA 1 ATOM 2558 C C . GLU H 1 178 ? -6.366 49.293 3.589 1.00 40.46 ? 178 GLU L C 1 ATOM 2559 O O . GLU H 1 178 ? -6.541 48.189 3.077 1.00 50.24 ? 178 GLU L O 1 ATOM 2560 C CB . GLU H 1 178 ? -6.652 51.235 2.038 1.00 41.61 ? 178 GLU L CB 1 ATOM 2561 C CG . GLU H 1 178 ? -7.576 52.298 1.483 1.00 36.77 ? 178 GLU L CG 1 ATOM 2562 C CD . GLU H 1 178 ? -8.726 51.708 0.725 1.00 40.69 ? 178 GLU L CD 1 ATOM 2563 O OE1 . GLU H 1 178 ? -8.547 50.618 0.135 1.00 47.46 ? 178 GLU L OE1 1 ATOM 2564 O OE2 . GLU H 1 178 ? -9.810 52.330 0.720 1.00 43.57 ? 178 GLU L OE2 1 ATOM 2565 N N . GLN H 1 179 ? -5.415 49.517 4.491 1.00 38.70 ? 179 GLN L N 1 ATOM 2566 C CA . GLN H 1 179 ? -4.579 48.411 4.962 1.00 41.75 ? 179 GLN L CA 1 ATOM 2567 C C . GLN H 1 179 ? -5.410 47.300 5.606 1.00 51.77 ? 179 GLN L C 1 ATOM 2568 O O . GLN H 1 179 ? -5.144 46.120 5.386 1.00 59.92 ? 179 GLN L O 1 ATOM 2569 C CB . GLN H 1 179 ? -3.524 48.896 5.951 1.00 46.53 ? 179 GLN L CB 1 ATOM 2570 C CG . GLN H 1 179 ? -2.418 47.873 6.184 1.00 60.37 ? 179 GLN L CG 1 ATOM 2571 C CD . GLN H 1 179 ? -1.787 47.387 4.870 1.00 89.15 ? 179 GLN L CD 1 ATOM 2572 O OE1 . GLN H 1 179 ? -1.141 48.157 4.154 1.00 73.72 ? 179 GLN L OE1 1 ATOM 2573 N NE2 . GLN H 1 179 ? -1.993 46.111 4.545 1.00 81.16 ? 179 GLN L NE2 1 ATOM 2574 N N . LYS H 1 180 ? -6.426 47.676 6.383 1.00 43.19 ? 180 LYS L N 1 ATOM 2575 C CA . LYS H 1 180 ? -7.254 46.692 7.069 1.00 49.78 ? 180 LYS L CA 1 ATOM 2576 C C . LYS H 1 180 ? -8.171 45.984 6.089 1.00 46.65 ? 180 LYS L C 1 ATOM 2577 O O . LYS H 1 180 ? -8.371 44.774 6.173 1.00 51.05 ? 180 LYS L O 1 ATOM 2578 C CB . LYS H 1 180 ? -8.098 47.343 8.176 1.00 41.94 ? 180 LYS L CB 1 ATOM 2579 C CG . LYS H 1 180 ? -8.769 46.317 9.091 1.00 50.83 ? 180 LYS L CG 1 ATOM 2580 C CD . LYS H 1 180 ? -9.885 46.930 9.904 1.00 71.78 ? 180 LYS L CD 1 ATOM 2581 C CE . LYS H 1 180 ? -10.384 45.959 10.966 1.00 74.32 ? 180 LYS L CE 1 ATOM 2582 N NZ . LYS H 1 180 ? -9.324 45.677 11.974 1.00 90.47 ? 180 LYS L NZ 1 ATOM 2583 N N . LYS H 1 181 ? -8.754 46.759 5.181 1.00 46.89 ? 181 LYS L N 1 ATOM 2584 C CA . LYS H 1 181 ? -9.600 46.212 4.120 1.00 43.28 ? 181 LYS L CA 1 ATOM 2585 C C . LYS H 1 181 ? -8.919 45.048 3.394 1.00 43.68 ? 181 LYS L C 1 ATOM 2586 O O . LYS H 1 181 ? -9.546 44.022 3.124 1.00 51.02 ? 181 LYS L O 1 ATOM 2587 C CB . LYS H 1 181 ? -9.961 47.314 3.118 1.00 51.16 ? 181 LYS L CB 1 ATOM 2588 C CG . LYS H 1 181 ? -10.965 46.908 2.056 1.00 46.38 ? 181 LYS L CG 1 ATOM 2589 C CD . LYS H 1 181 ? -11.605 48.144 1.407 1.00 58.97 ? 181 LYS L CD 1 ATOM 2590 C CE . LYS H 1 181 ? -13.023 47.865 0.906 1.00 77.00 ? 181 LYS L CE 1 ATOM 2591 N NZ . LYS H 1 181 ? -13.930 49.072 1.026 1.00 65.87 ? 181 LYS L NZ 1 ATOM 2592 N N . PHE H 1 182 ? -7.634 45.203 3.093 1.00 40.33 ? 182 PHE L N 1 ATOM 2593 C CA . PHE H 1 182 ? -6.939 44.218 2.265 1.00 54.58 ? 182 PHE L CA 1 ATOM 2594 C C . PHE H 1 182 ? -5.986 43.324 3.052 1.00 68.80 ? 182 PHE L C 1 ATOM 2595 O O . PHE H 1 182 ? -5.165 42.616 2.460 1.00 58.20 ? 182 PHE L O 1 ATOM 2596 C CB . PHE H 1 182 ? -6.177 44.924 1.136 1.00 53.97 ? 182 PHE L CB 1 ATOM 2597 C CG . PHE H 1 182 ? -7.076 45.575 0.120 1.00 57.44 ? 182 PHE L CG 1 ATOM 2598 C CD1 . PHE H 1 182 ? -7.738 44.811 -0.824 1.00 62.10 ? 182 PHE L CD1 1 ATOM 2599 C CD2 . PHE H 1 182 ? -7.272 46.945 0.120 1.00 46.29 ? 182 PHE L CD2 1 ATOM 2600 C CE1 . PHE H 1 182 ? -8.584 45.401 -1.751 1.00 57.67 ? 182 PHE L CE1 1 ATOM 2601 C CE2 . PHE H 1 182 ? -8.110 47.542 -0.800 1.00 48.39 ? 182 PHE L CE2 1 ATOM 2602 C CZ . PHE H 1 182 ? -8.768 46.768 -1.738 1.00 52.49 ? 182 PHE L CZ 1 ATOM 2603 N N . LYS H 1 183 ? -6.108 43.343 4.379 1.00 66.64 ? 183 LYS L N 1 ATOM 2604 C CA . LYS H 1 183 ? -5.222 42.573 5.259 1.00 55.77 ? 183 LYS L CA 1 ATOM 2605 C C . LYS H 1 183 ? -5.271 41.072 4.978 1.00 59.60 ? 183 LYS L C 1 ATOM 2606 O O . LYS H 1 183 ? -4.231 40.428 4.851 1.00 65.27 ? 183 LYS L O 1 ATOM 2607 C CB . LYS H 1 183 ? -5.576 42.833 6.731 1.00 65.60 ? 183 LYS L CB 1 ATOM 2608 C CG . LYS H 1 183 ? -4.813 41.961 7.718 1.00 66.44 ? 183 LYS L CG 1 ATOM 2609 C CD . LYS H 1 183 ? -5.092 42.346 9.168 1.00 86.69 ? 183 LYS L CD 1 ATOM 2610 C CE . LYS H 1 183 ? -4.225 41.531 10.122 1.00 74.98 ? 183 LYS L CE 1 ATOM 2611 N NZ . LYS H 1 183 ? -4.323 41.993 11.534 1.00 89.51 ? 183 LYS L NZ 1 ATOM 2612 N N . GLU H 1 184 ? -6.478 40.523 4.885 1.00 61.73 ? 184 GLU L N 1 ATOM 2613 C CA . GLU H 1 184 ? -6.662 39.103 4.601 1.00 65.01 ? 184 GLU L CA 1 ATOM 2614 C C . GLU H 1 184 ? -5.897 38.649 3.350 1.00 83.57 ? 184 GLU L C 1 ATOM 2615 O O . GLU H 1 184 ? -5.107 37.703 3.412 1.00 70.79 ? 184 GLU L O 1 ATOM 2616 C CB . GLU H 1 184 ? -8.148 38.784 4.440 1.00 73.40 ? 184 GLU L CB 1 ATOM 2617 C CG . GLU H 1 184 ? -9.001 39.077 5.666 1.00 96.64 ? 184 GLU L CG 1 ATOM 2618 C CD . GLU H 1 184 ? -10.489 39.086 5.349 1.00 120.42 ? 184 GLU L CD 1 ATOM 2619 O OE1 . GLU H 1 184 ? -11.304 39.062 6.297 1.00 116.98 ? 184 GLU L OE1 1 ATOM 2620 O OE2 . GLU H 1 184 ? -10.845 39.122 4.151 1.00 102.24 ? 184 GLU L OE2 1 ATOM 2621 N N . TYR H 1 185 ? -6.129 39.323 2.223 1.00 72.59 ? 185 TYR L N 1 ATOM 2622 C CA . TYR H 1 185 ? -5.498 38.936 0.961 1.00 72.41 ? 185 TYR L CA 1 ATOM 2623 C C . TYR H 1 185 ? -3.988 38.948 1.096 1.00 60.62 ? 185 TYR L C 1 ATOM 2624 O O . TYR H 1 185 ? -3.299 38.090 0.543 1.00 66.13 ? 185 TYR L O 1 ATOM 2625 C CB . TYR H 1 185 ? -5.932 39.863 -0.183 1.00 61.29 ? 185 TYR L CB 1 ATOM 2626 C CG . TYR H 1 185 ? -7.427 39.925 -0.344 1.00 55.84 ? 185 TYR L CG 1 ATOM 2627 C CD1 . TYR H 1 185 ? -8.176 40.870 0.343 1.00 63.81 ? 185 TYR L CD1 1 ATOM 2628 C CD2 . TYR H 1 185 ? -8.094 39.026 -1.160 1.00 60.30 ? 185 TYR L CD2 1 ATOM 2629 C CE1 . TYR H 1 185 ? -9.545 40.925 0.216 1.00 62.22 ? 185 TYR L CE1 1 ATOM 2630 C CE2 . TYR H 1 185 ? -9.467 39.073 -1.294 1.00 70.43 ? 185 TYR L CE2 1 ATOM 2631 C CZ . TYR H 1 185 ? -10.186 40.024 -0.600 1.00 63.10 ? 185 TYR L CZ 1 ATOM 2632 O OH . TYR H 1 185 ? -11.551 40.080 -0.726 1.00 76.22 ? 185 TYR L OH 1 ATOM 2633 N N . GLY H 1 186 ? -3.477 39.924 1.836 1.00 59.68 ? 186 GLY L N 1 ATOM 2634 C CA . GLY H 1 186 ? -2.049 40.009 2.071 1.00 74.76 ? 186 GLY L CA 1 ATOM 2635 C C . GLY H 1 186 ? -1.532 38.776 2.791 1.00 80.35 ? 186 GLY L C 1 ATOM 2636 O O . GLY H 1 186 ? -0.398 38.352 2.574 1.00 77.64 ? 186 GLY L O 1 ATOM 2637 N N . MET H 1 187 ? -2.375 38.195 3.642 1.00 75.54 ? 187 MET L N 1 ATOM 2638 C CA . MET H 1 187 ? -1.981 37.045 4.452 1.00 81.55 ? 187 MET L CA 1 ATOM 2639 C C . MET H 1 187 ? -2.114 35.744 3.674 1.00 82.17 ? 187 MET L C 1 ATOM 2640 O O . MET H 1 187 ? -1.211 34.907 3.702 1.00 86.43 ? 187 MET L O 1 ATOM 2641 C CB . MET H 1 187 ? -2.813 36.977 5.736 1.00 79.72 ? 187 MET L CB 1 ATOM 2642 C CG . MET H 1 187 ? -2.588 38.152 6.679 1.00 87.92 ? 187 MET L CG 1 ATOM 2643 S SD . MET H 1 187 ? -3.436 37.986 8.262 1.00 102.19 ? 187 MET L SD 1 ATOM 2644 C CE . MET H 1 187 ? -5.151 37.917 7.749 1.00 81.94 ? 187 MET L CE 1 ATOM 2645 N N . LYS H 1 188 ? -3.243 35.576 2.989 1.00 81.04 ? 188 LYS L N 1 ATOM 2646 C CA . LYS H 1 188 ? -3.449 34.416 2.128 1.00 78.87 ? 188 LYS L CA 1 ATOM 2647 C C . LYS H 1 188 ? -2.291 34.266 1.147 1.00 82.13 ? 188 LYS L C 1 ATOM 2648 O O . LYS H 1 188 ? -1.846 33.157 0.856 1.00 80.98 ? 188 LYS L O 1 ATOM 2649 C CB . LYS H 1 188 ? -4.763 34.533 1.363 1.00 82.48 ? 188 LYS L CB 1 ATOM 2650 C CG . LYS H 1 188 ? -5.126 33.289 0.565 1.00 85.98 ? 188 LYS L CG 1 ATOM 2651 C CD . LYS H 1 188 ? -5.474 32.139 1.494 1.00 104.36 ? 188 LYS L CD 1 ATOM 2652 C CE . LYS H 1 188 ? -6.217 31.029 0.767 1.00 106.85 ? 188 LYS L CE 1 ATOM 2653 N NZ . LYS H 1 188 ? -6.769 30.027 1.727 1.00 101.95 ? 188 LYS L NZ 1 ATOM 2654 N N . ILE H 1 189 ? -1.805 35.395 0.645 1.00 74.82 ? 189 ILE L N 1 ATOM 2655 C CA . ILE H 1 189 ? -0.678 35.390 -0.273 1.00 78.19 ? 189 ILE L CA 1 ATOM 2656 C C . ILE H 1 189 ? 0.590 34.990 0.454 1.00 85.61 ? 189 ILE L C 1 ATOM 2657 O O . ILE H 1 189 ? 1.398 34.228 -0.069 1.00 101.39 ? 189 ILE L O 1 ATOM 2658 C CB . ILE H 1 189 ? -0.468 36.762 -0.935 1.00 75.35 ? 189 ILE L CB 1 ATOM 2659 C CG1 . ILE H 1 189 ? -1.507 36.987 -2.034 1.00 72.91 ? 189 ILE L CG1 1 ATOM 2660 C CG2 . ILE H 1 189 ? 0.929 36.863 -1.519 1.00 62.23 ? 189 ILE L CG2 1 ATOM 2661 C CD1 . ILE H 1 189 ? -1.357 38.317 -2.744 1.00 72.23 ? 189 ILE L CD1 1 ATOM 2662 N N . ASP H 1 190 ? 0.761 35.507 1.665 1.00 95.99 ? 190 ASP L N 1 ATOM 2663 C CA . ASP H 1 190 ? 1.957 35.223 2.445 1.00 94.25 ? 190 ASP L CA 1 ATOM 2664 C C . ASP H 1 190 ? 2.062 33.746 2.797 1.00 88.61 ? 190 ASP L C 1 ATOM 2665 O O . ASP H 1 190 ? 3.148 33.175 2.755 1.00 93.66 ? 190 ASP L O 1 ATOM 2666 C CB . ASP H 1 190 ? 1.986 36.070 3.718 1.00 92.47 ? 190 ASP L CB 1 ATOM 2667 C CG . ASP H 1 190 ? 2.677 37.401 3.510 1.00 106.13 ? 190 ASP L CG 1 ATOM 2668 O OD1 . ASP H 1 190 ? 3.485 37.505 2.563 1.00 105.07 ? 190 ASP L OD1 1 ATOM 2669 O OD2 . ASP H 1 190 ? 2.420 38.340 4.292 1.00 112.65 ? 190 ASP L OD2 1 ATOM 2670 N N . GLU H 1 191 ? 0.935 33.125 3.133 1.00 74.63 ? 191 GLU L N 1 ATOM 2671 C CA . GLU H 1 191 ? 0.954 31.724 3.534 1.00 92.11 ? 191 GLU L CA 1 ATOM 2672 C C . GLU H 1 191 ? 1.120 30.799 2.330 1.00 97.62 ? 191 GLU L C 1 ATOM 2673 O O . GLU H 1 191 ? 1.858 29.814 2.393 1.00 103.66 ? 191 GLU L O 1 ATOM 2674 C CB . GLU H 1 191 ? -0.315 31.366 4.316 1.00 93.78 ? 191 GLU L CB 1 ATOM 2675 C CG . GLU H 1 191 ? -1.592 31.334 3.500 1.00 95.32 ? 191 GLU L CG 1 ATOM 2676 C CD . GLU H 1 191 ? -2.824 31.150 4.370 1.00 108.45 ? 191 GLU L CD 1 ATOM 2677 O OE1 . GLU H 1 191 ? -2.733 31.402 5.591 1.00 106.03 ? 191 GLU L OE1 1 ATOM 2678 O OE2 . GLU H 1 191 ? -3.881 30.752 3.834 1.00 110.89 ? 191 GLU L OE2 1 ATOM 2679 N N . ILE H 1 192 ? 0.445 31.121 1.232 1.00 97.74 ? 192 ILE L N 1 ATOM 2680 C CA . ILE H 1 192 ? 0.547 30.318 0.019 1.00 80.62 ? 192 ILE L CA 1 ATOM 2681 C C . ILE H 1 192 ? 1.910 30.491 -0.638 1.00 93.62 ? 192 ILE L C 1 ATOM 2682 O O . ILE H 1 192 ? 2.467 29.548 -1.195 1.00 102.78 ? 192 ILE L O 1 ATOM 2683 C CB . ILE H 1 192 ? -0.547 30.682 -0.996 1.00 87.21 ? 192 ILE L CB 1 ATOM 2684 C CG1 . ILE H 1 192 ? -1.921 30.294 -0.463 1.00 82.98 ? 192 ILE L CG1 1 ATOM 2685 C CG2 . ILE H 1 192 ? -0.303 29.975 -2.315 1.00 96.46 ? 192 ILE L CG2 1 ATOM 2686 C CD1 . ILE H 1 192 ? -3.027 30.487 -1.472 1.00 95.04 ? 192 ILE L CD1 1 ATOM 2687 N N . THR H 1 193 ? 2.446 31.703 -0.565 1.00 89.23 ? 193 THR L N 1 ATOM 2688 C CA . THR H 1 193 ? 3.721 32.005 -1.196 1.00 81.33 ? 193 THR L CA 1 ATOM 2689 C C . THR H 1 193 ? 4.869 31.359 -0.431 1.00 104.92 ? 193 THR L C 1 ATOM 2690 O O . THR H 1 193 ? 6.000 31.309 -0.914 1.00 118.97 ? 193 THR L O 1 ATOM 2691 C CB . THR H 1 193 ? 3.958 33.520 -1.284 1.00 85.25 ? 193 THR L CB 1 ATOM 2692 O OG1 . THR H 1 193 ? 5.003 33.791 -2.224 1.00 99.03 ? 193 THR L OG1 1 ATOM 2693 C CG2 . THR H 1 193 ? 4.342 34.078 0.077 1.00 108.94 ? 193 THR L CG2 1 ATOM 2694 N N . LYS H 1 194 ? 4.572 30.864 0.765 1.00 111.75 ? 194 LYS L N 1 ATOM 2695 C CA . LYS H 1 194 ? 5.583 30.225 1.598 1.00 114.45 ? 194 LYS L CA 1 ATOM 2696 C C . LYS H 1 194 ? 5.434 28.709 1.570 1.00 114.58 ? 194 LYS L C 1 ATOM 2697 O O . LYS H 1 194 ? 6.416 27.981 1.713 1.00 121.82 ? 194 LYS L O 1 ATOM 2698 C CB . LYS H 1 194 ? 5.506 30.751 3.033 1.00 109.24 ? 194 LYS L CB 1 ATOM 2699 C CG . LYS H 1 194 ? 5.943 32.205 3.168 1.00 119.70 ? 194 LYS L CG 1 ATOM 2700 C CD . LYS H 1 194 ? 5.604 32.777 4.537 1.00 126.39 ? 194 LYS L CD 1 ATOM 2701 C CE . LYS H 1 194 ? 5.884 34.274 4.591 1.00 115.38 ? 194 LYS L CE 1 ATOM 2702 N NZ . LYS H 1 194 ? 5.438 34.888 5.872 1.00 106.52 ? 194 LYS L NZ 1 ATOM 2703 N N . GLU H 1 195 ? 4.207 28.235 1.381 1.00 105.91 ? 195 GLU L N 1 ATOM 2704 C CA . GLU H 1 195 ? 3.978 26.807 1.207 1.00 106.60 ? 195 GLU L CA 1 ATOM 2705 C C . GLU H 1 195 ? 4.559 26.347 -0.122 1.00 113.26 ? 195 GLU L C 1 ATOM 2706 O O . GLU H 1 195 ? 5.024 25.215 -0.249 1.00 126.29 ? 195 GLU L O 1 ATOM 2707 C CB . GLU H 1 195 ? 2.489 26.470 1.272 1.00 108.31 ? 195 GLU L CB 1 ATOM 2708 C CG . GLU H 1 195 ? 2.191 25.016 0.944 1.00 120.35 ? 195 GLU L CG 1 ATOM 2709 C CD . GLU H 1 195 ? 0.708 24.717 0.899 1.00 138.44 ? 195 GLU L CD 1 ATOM 2710 O OE1 . GLU H 1 195 ? 0.317 23.750 0.212 1.00 138.17 ? 195 GLU L OE1 1 ATOM 2711 O OE2 . GLU H 1 195 ? -0.067 25.448 1.553 1.00 148.34 ? 195 GLU L OE2 1 ATOM 2712 N N . ASN H 1 196 ? 4.526 27.231 -1.113 1.00 110.35 ? 196 ASN L N 1 ATOM 2713 C CA . ASN H 1 196 ? 5.114 26.938 -2.412 1.00 104.86 ? 196 ASN L CA 1 ATOM 2714 C C . ASN H 1 196 ? 6.633 27.010 -2.353 1.00 117.04 ? 196 ASN L C 1 ATOM 2715 O O . ASN H 1 196 ? 7.324 26.495 -3.231 1.00 123.79 ? 196 ASN L O 1 ATOM 2716 C CB . ASN H 1 196 ? 4.580 27.895 -3.477 1.00 101.17 ? 196 ASN L CB 1 ATOM 2717 C CG . ASN H 1 196 ? 3.183 27.525 -3.945 1.00 105.42 ? 196 ASN L CG 1 ATOM 2718 O OD1 . ASN H 1 196 ? 2.391 26.961 -3.192 1.00 105.57 ? 196 ASN L OD1 1 ATOM 2719 N ND2 . ASN H 1 196 ? 2.881 27.834 -5.199 1.00 109.33 ? 196 ASN L ND2 1 ATOM 2720 N N . LYS H 1 197 ? 7.147 27.659 -1.314 1.00 119.60 ? 197 LYS L N 1 ATOM 2721 C CA . LYS H 1 197 ? 8.581 27.671 -1.063 1.00 119.84 ? 197 LYS L CA 1 ATOM 2722 C C . LYS H 1 197 ? 8.975 26.364 -0.389 1.00 119.30 ? 197 LYS L C 1 ATOM 2723 O O . LYS H 1 197 ? 10.119 25.917 -0.485 1.00 116.71 ? 197 LYS L O 1 ATOM 2724 C CB . LYS H 1 197 ? 8.977 28.868 -0.196 1.00 124.29 ? 197 LYS L CB 1 ATOM 2725 C CG . LYS H 1 197 ? 8.827 30.217 -0.884 1.00 120.05 ? 197 LYS L CG 1 ATOM 2726 C CD . LYS H 1 197 ? 9.256 31.351 0.037 1.00 125.75 ? 197 LYS L CD 1 ATOM 2727 C CE . LYS H 1 197 ? 9.188 32.699 -0.666 1.00 126.29 ? 197 LYS L CE 1 ATOM 2728 N NZ . LYS H 1 197 ? 9.620 33.815 0.224 1.00 124.78 ? 197 LYS L NZ 1 ATOM 2729 N N . LYS H 1 198 ? 8.007 25.755 0.289 1.00 116.79 ? 198 LYS L N 1 ATOM 2730 C CA . LYS H 1 198 ? 8.204 24.469 0.943 1.00 120.22 ? 198 LYS L CA 1 ATOM 2731 C C . LYS H 1 198 ? 8.203 23.342 -0.083 1.00 126.19 ? 198 LYS L C 1 ATOM 2732 O O . LYS H 1 198 ? 8.988 22.399 0.015 1.00 137.36 ? 198 LYS L O 1 ATOM 2733 C CB . LYS H 1 198 ? 7.117 24.232 1.995 1.00 118.15 ? 198 LYS L CB 1 ATOM 2734 C CG . LYS H 1 198 ? 7.292 22.961 2.807 1.00 122.16 ? 198 LYS L CG 1 ATOM 2735 C CD . LYS H 1 198 ? 6.228 22.852 3.887 1.00 124.13 ? 198 LYS L CD 1 ATOM 2736 C CE . LYS H 1 198 ? 6.463 21.642 4.780 1.00 127.49 ? 198 LYS L CE 1 ATOM 2737 N NZ . LYS H 1 198 ? 5.475 21.573 5.892 1.00 122.02 ? 198 LYS L NZ 1 ATOM 2738 N N . LEU H 1 199 ? 7.318 23.449 -1.069 1.00 119.89 ? 199 LEU L N 1 ATOM 2739 C CA . LEU H 1 199 ? 7.223 22.454 -2.130 1.00 118.84 ? 199 LEU L CA 1 ATOM 2740 C C . LEU H 1 199 ? 8.432 22.514 -3.056 1.00 122.41 ? 199 LEU L C 1 ATOM 2741 O O . LEU H 1 199 ? 8.994 21.483 -3.424 1.00 130.06 ? 199 LEU L O 1 ATOM 2742 C CB . LEU H 1 199 ? 5.941 22.650 -2.939 1.00 110.71 ? 199 LEU L CB 1 ATOM 2743 C CG . LEU H 1 199 ? 4.627 22.624 -2.161 1.00 112.17 ? 199 LEU L CG 1 ATOM 2744 C CD1 . LEU H 1 199 ? 3.445 22.630 -3.117 1.00 111.99 ? 199 LEU L CD1 1 ATOM 2745 C CD2 . LEU H 1 199 ? 4.573 21.419 -1.236 1.00 120.45 ? 199 LEU L CD2 1 ATOM 2746 N N . ALA H 1 200 ? 8.823 23.729 -3.430 1.00 118.69 ? 200 ALA L N 1 ATOM 2747 C CA . ALA H 1 200 ? 9.942 23.932 -4.345 1.00 120.83 ? 200 ALA L CA 1 ATOM 2748 C C . ALA H 1 200 ? 11.233 23.344 -3.786 1.00 130.86 ? 200 ALA L C 1 ATOM 2749 O O . ALA H 1 200 ? 12.152 23.016 -4.537 1.00 132.12 ? 200 ALA L O 1 ATOM 2750 C CB . ALA H 1 200 ? 10.120 25.411 -4.642 1.00 120.54 ? 200 ALA L CB 1 ATOM 2751 N N . ASN H 1 201 ? 11.297 23.215 -2.464 1.00 127.60 ? 201 ASN L N 1 ATOM 2752 C CA . ASN H 1 201 ? 12.446 22.600 -1.816 1.00 128.49 ? 201 ASN L CA 1 ATOM 2753 C C . ASN H 1 201 ? 12.385 21.080 -1.888 1.00 137.23 ? 201 ASN L C 1 ATOM 2754 O O . ASN H 1 201 ? 13.401 20.418 -2.096 1.00 144.66 ? 201 ASN L O 1 ATOM 2755 C CB . ASN H 1 201 ? 12.546 23.049 -0.358 1.00 130.47 ? 201 ASN L CB 1 ATOM 2756 C CG . ASN H 1 201 ? 13.231 24.392 -0.210 1.00 132.36 ? 201 ASN L CG 1 ATOM 2757 O OD1 . ASN H 1 201 ? 14.002 24.807 -1.077 1.00 125.51 ? 201 ASN L OD1 1 ATOM 2758 N ND2 . ASN H 1 201 ? 12.961 25.076 0.896 1.00 131.92 ? 201 ASN L ND2 1 ATOM 2759 N N . GLU H 1 202 ? 11.187 20.531 -1.719 1.00 132.76 ? 202 GLU L N 1 ATOM 2760 C CA . GLU H 1 202 ? 11.001 19.086 -1.748 1.00 132.12 ? 202 GLU L CA 1 ATOM 2761 C C . GLU H 1 202 ? 11.170 18.533 -3.160 1.00 133.46 ? 202 GLU L C 1 ATOM 2762 O O . GLU H 1 202 ? 11.546 17.376 -3.338 1.00 142.59 ? 202 GLU L O 1 ATOM 2763 C CB . GLU H 1 202 ? 9.628 18.714 -1.189 1.00 133.51 ? 202 GLU L CB 1 ATOM 2764 C CG . GLU H 1 202 ? 9.442 19.102 0.269 1.00 146.07 ? 202 GLU L CG 1 ATOM 2765 C CD . GLU H 1 202 ? 8.083 18.711 0.810 1.00 157.81 ? 202 GLU L CD 1 ATOM 2766 O OE1 . GLU H 1 202 ? 7.319 18.051 0.074 1.00 161.38 ? 202 GLU L OE1 1 ATOM 2767 O OE2 . GLU H 1 202 ? 7.779 19.064 1.969 1.00 157.65 ? 202 GLU L OE2 1 ATOM 2768 N N . ILE H 1 203 ? 10.893 19.363 -4.160 1.00 128.67 ? 203 ILE L N 1 ATOM 2769 C CA . ILE H 1 203 ? 11.127 18.983 -5.548 1.00 128.97 ? 203 ILE L CA 1 ATOM 2770 C C . ILE H 1 203 ? 12.611 19.097 -5.883 1.00 137.75 ? 203 ILE L C 1 ATOM 2771 O O . ILE H 1 203 ? 13.123 18.387 -6.750 1.00 146.23 ? 203 ILE L O 1 ATOM 2772 C CB . ILE H 1 203 ? 10.306 19.852 -6.523 1.00 127.52 ? 203 ILE L CB 1 ATOM 2773 C CG1 . ILE H 1 203 ? 8.830 19.456 -6.470 1.00 129.28 ? 203 ILE L CG1 1 ATOM 2774 C CG2 . ILE H 1 203 ? 10.830 19.715 -7.946 1.00 124.24 ? 203 ILE L CG2 1 ATOM 2775 C CD1 . ILE H 1 203 ? 7.995 20.067 -7.574 1.00 131.96 ? 203 ILE L CD1 1 ATOM 2776 N N . GLY H 1 204 ? 13.302 19.989 -5.180 1.00 137.93 ? 204 GLY L N 1 ATOM 2777 C CA . GLY H 1 204 ? 14.722 20.191 -5.391 1.00 135.81 ? 204 GLY L CA 1 ATOM 2778 C C . GLY H 1 204 ? 15.563 19.026 -4.905 1.00 136.81 ? 204 GLY L C 1 ATOM 2779 O O . GLY H 1 204 ? 16.598 18.713 -5.494 1.00 136.44 ? 204 GLY L O 1 ATOM 2780 N N . ARG H 1 205 ? 15.119 18.381 -3.829 1.00 137.18 ? 205 ARG L N 1 ATOM 2781 C CA . ARG H 1 205 ? 15.860 17.264 -3.250 1.00 141.11 ? 205 ARG L CA 1 ATOM 2782 C C . ARG H 1 205 ? 15.521 15.946 -3.944 1.00 142.31 ? 205 ARG L C 1 ATOM 2783 O O . ARG H 1 205 ? 16.393 15.098 -4.140 1.00 143.56 ? 205 ARG L O 1 ATOM 2784 C CB . ARG H 1 205 ? 15.585 17.149 -1.747 1.00 133.97 ? 205 ARG L CB 1 ATOM 2785 C CG . ARG H 1 205 ? 14.213 16.593 -1.399 1.00 134.73 ? 205 ARG L CG 1 ATOM 2786 C CD . ARG H 1 205 ? 14.151 16.139 0.052 1.00 132.91 ? 205 ARG L CD 1 ATOM 2787 N NE . ARG H 1 205 ? 14.295 17.252 0.987 1.00 141.50 ? 205 ARG L NE 1 ATOM 2788 C CZ . ARG H 1 205 ? 13.275 17.874 1.570 1.00 143.54 ? 205 ARG L CZ 1 ATOM 2789 N NH1 . ARG H 1 205 ? 12.031 17.491 1.318 1.00 144.77 ? 205 ARG L NH1 1 ATOM 2790 N NH2 . ARG H 1 205 ? 13.499 18.876 2.408 1.00 137.90 ? 205 ARG L NH2 1 ATOM 2791 N N . LEU H 1 206 ? 14.255 15.775 -4.310 1.00 137.36 ? 206 LEU L N 1 ATOM 2792 C CA . LEU H 1 206 ? 13.820 14.561 -4.992 1.00 135.22 ? 206 LEU L CA 1 ATOM 2793 C C . LEU H 1 206 ? 14.396 14.496 -6.402 1.00 139.41 ? 206 LEU L C 1 ATOM 2794 O O . LEU H 1 206 ? 14.736 13.420 -6.893 1.00 150.28 ? 206 LEU L O 1 ATOM 2795 C CB . LEU H 1 206 ? 12.294 14.481 -5.035 1.00 124.03 ? 206 LEU L CB 1 ATOM 2796 C CG . LEU H 1 206 ? 11.605 14.386 -3.673 1.00 125.75 ? 206 LEU L CG 1 ATOM 2797 C CD1 . LEU H 1 206 ? 10.146 13.984 -3.833 1.00 128.81 ? 206 LEU L CD1 1 ATOM 2798 C CD2 . LEU H 1 206 ? 12.342 13.416 -2.762 1.00 132.26 ? 206 LEU L CD2 1 ATOM 2799 N N . ARG H 1 207 ? 14.505 15.650 -7.051 1.00 129.84 ? 207 ARG L N 1 ATOM 2800 C CA . ARG H 1 207 ? 15.180 15.729 -8.339 1.00 135.56 ? 207 ARG L CA 1 ATOM 2801 C C . ARG H 1 207 ? 16.688 15.658 -8.128 1.00 139.17 ? 207 ARG L C 1 ATOM 2802 O O . ARG H 1 207 ? 17.459 15.553 -9.082 1.00 134.34 ? 207 ARG L O 1 ATOM 2803 C CB . ARG H 1 207 ? 14.803 17.013 -9.081 1.00 134.26 ? 207 ARG L CB 1 ATOM 2804 C CG . ARG H 1 207 ? 13.348 17.082 -9.515 1.00 134.81 ? 207 ARG L CG 1 ATOM 2805 C CD . ARG H 1 207 ? 13.078 18.341 -10.323 1.00 136.04 ? 207 ARG L CD 1 ATOM 2806 N NE . ARG H 1 207 ? 11.679 18.449 -10.726 1.00 148.26 ? 207 ARG L NE 1 ATOM 2807 C CZ . ARG H 1 207 ? 11.195 17.999 -11.880 1.00 154.61 ? 207 ARG L CZ 1 ATOM 2808 N NH1 . ARG H 1 207 ? 11.999 17.407 -12.753 1.00 153.00 ? 207 ARG L NH1 1 ATOM 2809 N NH2 . ARG H 1 207 ? 9.907 18.142 -12.162 1.00 150.50 ? 207 ARG L NH2 1 ATOM 2810 N N . GLU H 1 208 ? 17.098 15.718 -6.865 1.00 138.25 ? 208 GLU L N 1 ATOM 2811 C CA . GLU H 1 208 ? 18.505 15.621 -6.503 1.00 143.10 ? 208 GLU L CA 1 ATOM 2812 C C . GLU H 1 208 ? 18.884 14.171 -6.227 1.00 145.39 ? 208 GLU L C 1 ATOM 2813 O O . GLU H 1 208 ? 19.929 13.697 -6.671 1.00 149.43 ? 208 GLU L O 1 ATOM 2814 C CB . GLU H 1 208 ? 18.808 16.493 -5.281 1.00 143.37 ? 208 GLU L CB 1 ATOM 2815 C CG . GLU H 1 208 ? 20.282 16.574 -4.912 1.00 141.79 ? 208 GLU L CG 1 ATOM 2816 C CD . GLU H 1 208 ? 21.103 17.350 -5.927 1.00 144.13 ? 208 GLU L CD 1 ATOM 2817 O OE1 . GLU H 1 208 ? 20.565 17.687 -7.004 1.00 142.20 ? 208 GLU L OE1 1 ATOM 2818 O OE2 . GLU H 1 208 ? 22.288 17.628 -5.646 1.00 142.26 ? 208 GLU L OE2 1 ATOM 2819 N N . ARG H 1 209 ? 18.024 13.471 -5.493 1.00 144.04 ? 209 ARG L N 1 ATOM 2820 C CA . ARG H 1 209 ? 18.237 12.058 -5.200 1.00 146.30 ? 209 ARG L CA 1 ATOM 2821 C C . ARG H 1 209 ? 18.032 11.196 -6.443 1.00 149.08 ? 209 ARG L C 1 ATOM 2822 O O . ARG H 1 209 ? 18.684 10.165 -6.609 1.00 147.92 ? 209 ARG L O 1 ATOM 2823 C CB . ARG H 1 209 ? 17.307 11.599 -4.076 1.00 138.92 ? 209 ARG L CB 1 ATOM 2824 C CG . ARG H 1 209 ? 16.979 10.117 -4.109 1.00 137.74 ? 209 ARG L CG 1 ATOM 2825 C CD . ARG H 1 209 ? 16.429 9.638 -2.776 1.00 148.20 ? 209 ARG L CD 1 ATOM 2826 N NE . ARG H 1 209 ? 15.513 10.602 -2.175 1.00 151.61 ? 209 ARG L NE 1 ATOM 2827 C CZ . ARG H 1 209 ? 15.863 11.479 -1.239 1.00 151.24 ? 209 ARG L CZ 1 ATOM 2828 N NH1 . ARG H 1 209 ? 14.966 12.321 -0.745 1.00 146.91 ? 209 ARG L NH1 1 ATOM 2829 N NH2 . ARG H 1 209 ? 17.113 11.511 -0.795 1.00 146.58 ? 209 ARG L NH2 1 ATOM 2830 N N . TRP H 1 210 ? 17.122 11.623 -7.314 1.00 147.20 ? 210 TRP L N 1 ATOM 2831 C CA . TRP H 1 210 ? 16.894 10.932 -8.577 1.00 148.88 ? 210 TRP L CA 1 ATOM 2832 C C . TRP H 1 210 ? 18.129 11.035 -9.465 1.00 151.25 ? 210 TRP L C 1 ATOM 2833 O O . TRP H 1 210 ? 18.441 10.118 -10.224 1.00 155.03 ? 210 TRP L O 1 ATOM 2834 C CB . TRP H 1 210 ? 15.671 11.505 -9.297 1.00 151.58 ? 210 TRP L CB 1 ATOM 2835 C CG . TRP H 1 210 ? 15.362 10.824 -10.601 1.00 159.42 ? 210 TRP L CG 1 ATOM 2836 C CD1 . TRP H 1 210 ? 15.793 11.195 -11.843 1.00 154.08 ? 210 TRP L CD1 1 ATOM 2837 C CD2 . TRP H 1 210 ? 14.557 9.659 -10.786 1.00 158.83 ? 210 TRP L CD2 1 ATOM 2838 N NE1 . TRP H 1 210 ? 15.304 10.330 -12.793 1.00 144.60 ? 210 TRP L NE1 1 ATOM 2839 C CE2 . TRP H 1 210 ? 14.537 9.371 -12.168 1.00 155.94 ? 210 TRP L CE2 1 ATOM 2840 C CE3 . TRP H 1 210 ? 13.843 8.817 -9.923 1.00 147.99 ? 210 TRP L CE3 1 ATOM 2841 C CZ2 . TRP H 1 210 ? 13.842 8.294 -12.705 1.00 154.00 ? 210 TRP L CZ2 1 ATOM 2842 C CZ3 . TRP H 1 210 ? 13.151 7.746 -10.454 1.00 144.43 ? 210 TRP L CZ3 1 ATOM 2843 C CH2 . TRP H 1 210 ? 13.155 7.493 -11.832 1.00 152.58 ? 210 TRP L CH2 1 ATOM 2844 N N . ASP H 1 211 ? 18.829 12.161 -9.364 1.00 147.92 ? 211 ASP L N 1 ATOM 2845 C CA . ASP H 1 211 ? 20.057 12.370 -10.120 1.00 148.37 ? 211 ASP L CA 1 ATOM 2846 C C . ASP H 1 211 ? 21.238 11.688 -9.438 1.00 151.21 ? 211 ASP L C 1 ATOM 2847 O O . ASP H 1 211 ? 22.342 11.654 -9.980 1.00 148.69 ? 211 ASP L O 1 ATOM 2848 C CB . ASP H 1 211 ? 20.335 13.864 -10.295 1.00 151.53 ? 211 ASP L CB 1 ATOM 2849 C CG . ASP H 1 211 ? 19.350 14.535 -11.235 1.00 156.43 ? 211 ASP L CG 1 ATOM 2850 O OD1 . ASP H 1 211 ? 18.214 14.032 -11.367 1.00 156.93 ? 211 ASP L OD1 1 ATOM 2851 O OD2 . ASP H 1 211 ? 19.713 15.565 -11.843 1.00 151.36 ? 211 ASP L OD2 1 ATOM 2852 N N . SER H 1 212 ? 20.998 11.146 -8.247 1.00 150.72 ? 212 SER L N 1 ATOM 2853 C CA . SER H 1 212 ? 22.029 10.427 -7.505 1.00 149.80 ? 212 SER L CA 1 ATOM 2854 C C . SER H 1 212 ? 22.059 8.953 -7.895 1.00 152.29 ? 212 SER L C 1 ATOM 2855 O O . SER H 1 212 ? 23.007 8.234 -7.577 1.00 151.75 ? 212 SER L O 1 ATOM 2856 C CB . SER H 1 212 ? 21.805 10.563 -5.997 1.00 149.41 ? 212 SER L CB 1 ATOM 2857 O OG . SER H 1 212 ? 21.978 11.903 -5.572 1.00 160.48 ? 212 SER L OG 1 ATOM 2858 N N . LEU H 1 213 ? 21.011 8.509 -8.581 1.00 151.45 ? 213 LEU L N 1 ATOM 2859 C CA . LEU H 1 213 ? 20.919 7.124 -9.025 1.00 144.75 ? 213 LEU L CA 1 ATOM 2860 C C . LEU H 1 213 ? 21.364 6.983 -10.476 1.00 145.03 ? 213 LEU L C 1 ATOM 2861 O O . LEU H 1 213 ? 22.028 6.012 -10.837 1.00 157.78 ? 213 LEU L O 1 ATOM 2862 C CB . LEU H 1 213 ? 19.493 6.599 -8.859 1.00 137.61 ? 213 LEU L CB 1 ATOM 2863 C CG . LEU H 1 213 ? 18.934 6.594 -7.435 1.00 144.17 ? 213 LEU L CG 1 ATOM 2864 C CD1 . LEU H 1 213 ? 17.582 5.900 -7.394 1.00 133.61 ? 213 LEU L CD1 1 ATOM 2865 C CD2 . LEU H 1 213 ? 19.911 5.938 -6.467 1.00 141.78 ? 213 LEU L CD2 1 ATOM 2866 N N . VAL H 1 214 ? 20.998 7.957 -11.304 1.00 140.21 ? 214 VAL L N 1 ATOM 2867 C CA . VAL H 1 214 ? 21.386 7.949 -12.710 1.00 147.44 ? 214 VAL L CA 1 ATOM 2868 C C . VAL H 1 214 ? 22.891 8.171 -12.852 1.00 153.82 ? 214 VAL L C 1 ATOM 2869 O O . VAL H 1 214 ? 23.484 7.847 -13.881 1.00 155.09 ? 214 VAL L O 1 ATOM 2870 C CB . VAL H 1 214 ? 20.623 9.022 -13.512 1.00 139.87 ? 214 VAL L CB 1 ATOM 2871 C CG1 . VAL H 1 214 ? 20.982 8.944 -14.989 1.00 129.14 ? 214 VAL L CG1 1 ATOM 2872 C CG2 . VAL H 1 214 ? 19.125 8.855 -13.320 1.00 136.35 ? 214 VAL L CG2 1 ATOM 2873 N N . GLU H 1 215 ? 23.504 8.720 -11.808 1.00 154.09 ? 215 GLU L N 1 ATOM 2874 C CA . GLU H 1 215 ? 24.948 8.917 -11.787 1.00 161.43 ? 215 GLU L CA 1 ATOM 2875 C C . GLU H 1 215 ? 25.656 7.684 -11.232 1.00 161.10 ? 215 GLU L C 1 ATOM 2876 O O . GLU H 1 215 ? 26.778 7.368 -11.629 1.00 163.57 ? 215 GLU L O 1 ATOM 2877 C CB . GLU H 1 215 ? 25.312 10.152 -10.960 1.00 169.23 ? 215 GLU L CB 1 ATOM 2878 C CG . GLU H 1 215 ? 24.868 11.469 -11.579 1.00 170.37 ? 215 GLU L CG 1 ATOM 2879 C CD . GLU H 1 215 ? 25.211 12.666 -10.712 1.00 164.83 ? 215 GLU L CD 1 ATOM 2880 O OE1 . GLU H 1 215 ? 25.690 12.462 -9.576 1.00 163.35 ? 215 GLU L OE1 1 ATOM 2881 O OE2 . GLU H 1 215 ? 25.001 13.810 -11.167 1.00 156.18 ? 215 GLU L OE2 1 ATOM 2882 N N . SER H 1 216 ? 24.991 6.992 -10.312 1.00 154.78 ? 216 SER L N 1 ATOM 2883 C CA . SER H 1 216 ? 25.546 5.788 -9.705 1.00 153.18 ? 216 SER L CA 1 ATOM 2884 C C . SER H 1 216 ? 25.428 4.588 -10.639 1.00 153.98 ? 216 SER L C 1 ATOM 2885 O O . SER H 1 216 ? 25.346 4.742 -11.858 1.00 156.19 ? 216 SER L O 1 ATOM 2886 C CB . SER H 1 216 ? 24.848 5.489 -8.377 1.00 151.76 ? 216 SER L CB 1 ATOM 2887 O OG . SER H 1 216 ? 25.360 4.307 -7.785 1.00 151.82 ? 216 SER L OG 1 ATOM 2888 N N . LEU I 1 123 ? -0.940 42.872 -33.662 1.00 112.17 ? 123 LEU E N 1 ATOM 2889 C CA . LEU I 1 123 ? -1.019 44.326 -33.750 1.00 126.23 ? 123 LEU E CA 1 ATOM 2890 C C . LEU I 1 123 ? -2.311 44.780 -34.423 1.00 123.66 ? 123 LEU E C 1 ATOM 2891 O O . LEU I 1 123 ? -2.556 44.493 -35.599 1.00 113.09 ? 123 LEU E O 1 ATOM 2892 C CB . LEU I 1 123 ? 0.191 44.889 -34.498 1.00 128.01 ? 123 LEU E CB 1 ATOM 2893 C CG . LEU I 1 123 ? 1.493 44.936 -33.695 1.00 137.33 ? 123 LEU E CG 1 ATOM 2894 C CD1 . LEU I 1 123 ? 2.533 45.783 -34.412 1.00 131.31 ? 123 LEU E CD1 1 ATOM 2895 C CD2 . LEU I 1 123 ? 1.240 45.459 -32.286 1.00 117.03 ? 123 LEU E CD2 1 ATOM 2896 N N . SER I 1 124 ? -3.123 45.508 -33.664 1.00 114.99 ? 124 SER E N 1 ATOM 2897 C CA . SER I 1 124 ? -4.457 45.909 -34.099 1.00 105.76 ? 124 SER E CA 1 ATOM 2898 C C . SER I 1 124 ? -4.942 47.278 -33.585 1.00 87.04 ? 124 SER E C 1 ATOM 2899 O O . SER I 1 124 ? -5.844 47.866 -34.177 1.00 81.86 ? 124 SER E O 1 ATOM 2900 C CB . SER I 1 124 ? -5.461 44.835 -33.676 1.00 107.06 ? 124 SER E CB 1 ATOM 2901 O OG . SER I 1 124 ? -5.267 44.491 -32.311 1.00 91.00 ? 124 SER E OG 1 ATOM 2902 N N . PRO I 1 125 ? -4.365 47.790 -32.481 1.00 93.07 ? 125 PRO E N 1 ATOM 2903 C CA . PRO I 1 125 ? -4.976 49.006 -31.924 1.00 87.81 ? 125 PRO E CA 1 ATOM 2904 C C . PRO I 1 125 ? -4.697 50.262 -32.748 1.00 78.53 ? 125 PRO E C 1 ATOM 2905 O O . PRO I 1 125 ? -5.627 50.871 -33.283 1.00 71.11 ? 125 PRO E O 1 ATOM 2906 C CB . PRO I 1 125 ? -4.337 49.110 -30.535 1.00 80.79 ? 125 PRO E CB 1 ATOM 2907 C CG . PRO I 1 125 ? -3.021 48.442 -30.686 1.00 96.36 ? 125 PRO E CG 1 ATOM 2908 C CD . PRO I 1 125 ? -3.232 47.321 -31.661 1.00 100.08 ? 125 PRO E CD 1 ATOM 2909 N N . ILE I 1 126 ? -3.430 50.654 -32.838 1.00 93.68 ? 126 ILE E N 1 ATOM 2910 C CA . ILE I 1 126 ? -3.047 51.790 -33.668 1.00 68.25 ? 126 ILE E CA 1 ATOM 2911 C C . ILE I 1 126 ? -3.148 51.428 -35.144 1.00 63.08 ? 126 ILE E C 1 ATOM 2912 O O . ILE I 1 126 ? -2.933 52.274 -36.003 1.00 56.69 ? 126 ILE E O 1 ATOM 2913 C CB . ILE I 1 126 ? -1.621 52.268 -33.373 1.00 63.97 ? 126 ILE E CB 1 ATOM 2914 C CG1 . ILE I 1 126 ? -0.659 51.081 -33.375 1.00 62.17 ? 126 ILE E CG1 1 ATOM 2915 C CG2 . ILE I 1 126 ? -1.574 53.008 -32.046 1.00 92.73 ? 126 ILE E CG2 1 ATOM 2916 C CD1 . ILE I 1 126 ? 0.792 51.479 -33.497 1.00 87.02 ? 126 ILE E CD1 1 ATOM 2917 N N . ASN I 1 127 ? -3.461 50.167 -35.429 1.00 57.18 ? 127 ASN E N 1 ATOM 2918 C CA . ASN I 1 127 ? -3.754 49.751 -36.797 1.00 62.66 ? 127 ASN E CA 1 ATOM 2919 C C . ASN I 1 127 ? -5.232 49.847 -37.121 1.00 55.55 ? 127 ASN E C 1 ATOM 2920 O O . ASN I 1 127 ? -5.617 49.739 -38.278 1.00 54.22 ? 127 ASN E O 1 ATOM 2921 C CB . ASN I 1 127 ? -3.290 48.319 -37.048 1.00 63.32 ? 127 ASN E CB 1 ATOM 2922 C CG . ASN I 1 127 ? -1.787 48.199 -37.112 1.00 88.11 ? 127 ASN E CG 1 ATOM 2923 O OD1 . ASN I 1 127 ? -1.094 49.137 -37.514 1.00 77.24 ? 127 ASN E OD1 1 ATOM 2924 N ND2 . ASN I 1 127 ? -1.269 47.042 -36.712 1.00 95.82 ? 127 ASN E ND2 1 ATOM 2925 N N . ASP I 1 128 ? -6.068 50.045 -36.107 1.00 43.89 ? 128 ASP E N 1 ATOM 2926 C CA . ASP I 1 128 ? -7.501 49.977 -36.328 1.00 44.11 ? 128 ASP E CA 1 ATOM 2927 C C . ASP I 1 128 ? -8.049 51.331 -36.782 1.00 36.45 ? 128 ASP E C 1 ATOM 2928 O O . ASP I 1 128 ? -7.967 52.320 -36.058 1.00 41.38 ? 128 ASP E O 1 ATOM 2929 C CB . ASP I 1 128 ? -8.223 49.488 -35.072 1.00 40.90 ? 128 ASP E CB 1 ATOM 2930 C CG . ASP I 1 128 ? -9.662 49.134 -35.349 1.00 51.03 ? 128 ASP E CG 1 ATOM 2931 O OD1 . ASP I 1 128 ? -10.513 50.036 -35.251 1.00 58.17 ? 128 ASP E OD1 1 ATOM 2932 O OD2 . ASP I 1 128 ? -9.936 47.969 -35.698 1.00 68.03 ? 128 ASP E OD2 1 ATOM 2933 N N . PRO I 1 129 ? -8.574 51.390 -38.020 1.00 39.18 ? 129 PRO E N 1 ATOM 2934 C CA . PRO I 1 129 ? -9.107 52.651 -38.531 1.00 34.36 ? 129 PRO E CA 1 ATOM 2935 C C . PRO I 1 129 ? -10.293 53.170 -37.704 1.00 28.28 ? 129 PRO E C 1 ATOM 2936 O O . PRO I 1 129 ? -10.437 54.381 -37.553 1.00 40.44 ? 129 PRO E O 1 ATOM 2937 C CB . PRO I 1 129 ? -9.548 52.292 -39.966 1.00 39.69 ? 129 PRO E CB 1 ATOM 2938 C CG . PRO I 1 129 ? -9.735 50.803 -39.940 1.00 37.85 ? 129 PRO E CG 1 ATOM 2939 C CD . PRO I 1 129 ? -8.642 50.318 -39.027 1.00 41.11 ? 129 PRO E CD 1 ATOM 2940 N N . LEU I 1 130 ? -11.132 52.284 -37.185 1.00 28.15 ? 130 LEU E N 1 ATOM 2941 C CA . LEU I 1 130 ? -12.241 52.747 -36.345 1.00 32.25 ? 130 LEU E CA 1 ATOM 2942 C C . LEU I 1 130 ? -11.719 53.476 -35.086 1.00 37.56 ? 130 LEU E C 1 ATOM 2943 O O . LEU I 1 130 ? -12.163 54.586 -34.772 1.00 34.58 ? 130 LEU E O 1 ATOM 2944 C CB . LEU I 1 130 ? -13.146 51.582 -35.953 1.00 39.46 ? 130 LEU E CB 1 ATOM 2945 C CG . LEU I 1 130 ? -14.237 51.929 -34.932 1.00 47.02 ? 130 LEU E CG 1 ATOM 2946 C CD1 . LEU I 1 130 ? -15.134 53.080 -35.411 1.00 37.14 ? 130 LEU E CD1 1 ATOM 2947 C CD2 . LEU I 1 130 ? -15.082 50.715 -34.622 1.00 41.59 ? 130 LEU E CD2 1 ATOM 2948 N N . LEU I 1 131 ? -10.772 52.860 -34.382 1.00 31.84 ? 131 LEU E N 1 ATOM 2949 C CA . LEU I 1 131 ? -10.208 53.460 -33.160 1.00 34.56 ? 131 LEU E CA 1 ATOM 2950 C C . LEU I 1 131 ? -9.567 54.803 -33.471 1.00 34.66 ? 131 LEU E C 1 ATOM 2951 O O . LEU I 1 131 ? -9.783 55.798 -32.770 1.00 30.41 ? 131 LEU E O 1 ATOM 2952 C CB . LEU I 1 131 ? -9.175 52.527 -32.515 1.00 39.00 ? 131 LEU E CB 1 ATOM 2953 C CG . LEU I 1 131 ? -8.497 53.000 -31.213 1.00 38.79 ? 131 LEU E CG 1 ATOM 2954 C CD1 . LEU I 1 131 ? -9.518 53.093 -30.058 1.00 27.43 ? 131 LEU E CD1 1 ATOM 2955 C CD2 . LEU I 1 131 ? -7.356 52.078 -30.835 1.00 36.76 ? 131 LEU E CD2 1 ATOM 2956 N N . MET I 1 132 ? -8.816 54.840 -34.573 1.00 34.43 ? 132 MET E N 1 ATOM 2957 C CA . MET I 1 132 ? -8.099 56.053 -34.947 1.00 32.00 ? 132 MET E CA 1 ATOM 2958 C C . MET I 1 132 ? -9.062 57.177 -35.350 1.00 36.49 ? 132 MET E C 1 ATOM 2959 O O . MET I 1 132 ? -8.816 58.344 -35.042 1.00 35.70 ? 132 MET E O 1 ATOM 2960 C CB . MET I 1 132 ? -7.100 55.734 -36.076 1.00 31.27 ? 132 MET E CB 1 ATOM 2961 C CG . MET I 1 132 ? -5.842 56.596 -36.103 1.00 57.16 ? 132 MET E CG 1 ATOM 2962 S SD . MET I 1 132 ? -4.935 56.704 -34.549 1.00 62.47 ? 132 MET E SD 1 ATOM 2963 C CE . MET I 1 132 ? -5.262 55.097 -33.825 1.00 49.90 ? 132 MET E CE 1 ATOM 2964 N N . SER I 1 133 ? -10.158 56.837 -36.036 1.00 28.83 ? 133 SER E N 1 ATOM 2965 C CA . SER I 1 133 ? -11.225 57.808 -36.279 1.00 39.28 ? 133 SER E CA 1 ATOM 2966 C C . SER I 1 133 ? -11.780 58.408 -34.964 1.00 39.87 ? 133 SER E C 1 ATOM 2967 O O . SER I 1 133 ? -11.946 59.620 -34.823 1.00 42.02 ? 133 SER E O 1 ATOM 2968 C CB . SER I 1 133 ? -12.366 57.150 -37.063 1.00 32.51 ? 133 SER E CB 1 ATOM 2969 O OG . SER I 1 133 ? -13.368 58.096 -37.334 1.00 52.02 ? 133 SER E OG 1 ATOM 2970 N N . ILE I 1 134 ? -12.079 57.540 -34.011 1.00 33.98 ? 134 ILE E N 1 ATOM 2971 C CA . ILE I 1 134 ? -12.572 57.965 -32.692 1.00 38.42 ? 134 ILE E CA 1 ATOM 2972 C C . ILE I 1 134 ? -11.554 58.891 -31.998 1.00 37.21 ? 134 ILE E C 1 ATOM 2973 O O . ILE I 1 134 ? -11.893 59.987 -31.548 1.00 33.90 ? 134 ILE E O 1 ATOM 2974 C CB . ILE I 1 134 ? -12.887 56.731 -31.815 1.00 37.84 ? 134 ILE E CB 1 ATOM 2975 C CG1 . ILE I 1 134 ? -14.114 55.991 -32.371 1.00 37.25 ? 134 ILE E CG1 1 ATOM 2976 C CG2 . ILE I 1 134 ? -13.074 57.105 -30.316 1.00 39.34 ? 134 ILE E CG2 1 ATOM 2977 C CD1 . ILE I 1 134 ? -14.216 54.546 -31.905 1.00 41.20 ? 134 ILE E CD1 1 ATOM 2978 N N . LEU I 1 135 ? -10.296 58.479 -31.968 1.00 34.78 ? 135 LEU E N 1 ATOM 2979 C CA . LEU I 1 135 ? -9.248 59.310 -31.365 1.00 33.50 ? 135 LEU E CA 1 ATOM 2980 C C . LEU I 1 135 ? -9.057 60.640 -32.083 1.00 36.28 ? 135 LEU E C 1 ATOM 2981 O O . LEU I 1 135 ? -8.959 61.682 -31.446 1.00 33.36 ? 135 LEU E O 1 ATOM 2982 C CB . LEU I 1 135 ? -7.928 58.541 -31.338 1.00 43.61 ? 135 LEU E CB 1 ATOM 2983 C CG . LEU I 1 135 ? -7.876 57.470 -30.247 1.00 40.39 ? 135 LEU E CG 1 ATOM 2984 C CD1 . LEU I 1 135 ? -6.623 56.644 -30.365 1.00 47.42 ? 135 LEU E CD1 1 ATOM 2985 C CD2 . LEU I 1 135 ? -7.932 58.139 -28.891 1.00 43.50 ? 135 LEU E CD2 1 ATOM 2986 N N . ASN I 1 136 ? -9.018 60.607 -33.413 1.00 33.22 ? 136 ASN E N 1 ATOM 2987 C CA . ASN I 1 136 ? -8.821 61.825 -34.184 1.00 37.42 ? 136 ASN E CA 1 ATOM 2988 C C . ASN I 1 136 ? -9.946 62.830 -33.974 1.00 36.30 ? 136 ASN E C 1 ATOM 2989 O O . ASN I 1 136 ? -9.700 64.039 -33.895 1.00 41.76 ? 136 ASN E O 1 ATOM 2990 C CB . ASN I 1 136 ? -8.676 61.493 -35.684 1.00 35.96 ? 136 ASN E CB 1 ATOM 2991 C CG . ASN I 1 136 ? -7.306 60.925 -36.021 1.00 45.90 ? 136 ASN E CG 1 ATOM 2992 O OD1 . ASN I 1 136 ? -6.356 61.067 -35.249 1.00 41.19 ? 136 ASN E OD1 1 ATOM 2993 N ND2 . ASN I 1 136 ? -7.195 60.286 -37.173 1.00 38.91 ? 136 ASN E ND2 1 ATOM 2994 N N . ARG I 1 137 ? -11.188 62.354 -33.891 1.00 33.99 ? 137 ARG E N 1 ATOM 2995 C CA . ARG I 1 137 ? -12.287 63.302 -33.749 1.00 39.61 ? 137 ARG E CA 1 ATOM 2996 C C . ARG I 1 137 ? -12.235 63.911 -32.349 1.00 26.53 ? 137 ARG E C 1 ATOM 2997 O O . ARG I 1 137 ? -12.432 65.120 -32.173 1.00 34.23 ? 137 ARG E O 1 ATOM 2998 C CB . ARG I 1 137 ? -13.649 62.655 -34.016 1.00 39.68 ? 137 ARG E CB 1 ATOM 2999 C CG . ARG I 1 137 ? -14.777 63.670 -33.914 1.00 47.59 ? 137 ARG E CG 1 ATOM 3000 C CD . ARG I 1 137 ? -16.112 63.142 -34.398 1.00 36.51 ? 137 ARG E CD 1 ATOM 3001 N NE . ARG I 1 137 ? -16.754 62.229 -33.465 1.00 34.72 ? 137 ARG E NE 1 ATOM 3002 C CZ . ARG I 1 137 ? -17.537 62.611 -32.459 1.00 48.50 ? 137 ARG E CZ 1 ATOM 3003 N NH1 . ARG I 1 137 ? -17.773 63.901 -32.235 1.00 29.88 ? 137 ARG E NH1 1 ATOM 3004 N NH2 . ARG I 1 137 ? -18.081 61.695 -31.670 1.00 35.50 ? 137 ARG E NH2 1 ATOM 3005 N N . LEU I 1 138 ? -11.938 63.084 -31.358 1.00 31.66 ? 138 LEU E N 1 ATOM 3006 C CA . LEU I 1 138 ? -11.735 63.600 -30.000 1.00 31.57 ? 138 LEU E CA 1 ATOM 3007 C C . LEU I 1 138 ? -10.688 64.703 -30.017 1.00 37.87 ? 138 LEU E C 1 ATOM 3008 O O . LEU I 1 138 ? -10.910 65.800 -29.516 1.00 37.80 ? 138 LEU E O 1 ATOM 3009 C CB . LEU I 1 138 ? -11.306 62.492 -29.040 1.00 37.40 ? 138 LEU E CB 1 ATOM 3010 C CG . LEU I 1 138 ? -11.029 63.038 -27.634 1.00 41.27 ? 138 LEU E CG 1 ATOM 3011 C CD1 . LEU I 1 138 ? -12.297 63.648 -27.073 1.00 36.02 ? 138 LEU E CD1 1 ATOM 3012 C CD2 . LEU I 1 138 ? -10.465 61.985 -26.683 1.00 37.93 ? 138 LEU E CD2 1 ATOM 3013 N N . GLN I 1 139 ? -9.555 64.419 -30.643 1.00 32.64 ? 139 GLN E N 1 ATOM 3014 C CA . GLN I 1 139 ? -8.470 65.388 -30.716 1.00 41.33 ? 139 GLN E CA 1 ATOM 3015 C C . GLN I 1 139 ? -8.872 66.689 -31.380 1.00 40.63 ? 139 GLN E C 1 ATOM 3016 O O . GLN I 1 139 ? -8.587 67.773 -30.874 1.00 46.62 ? 139 GLN E O 1 ATOM 3017 C CB . GLN I 1 139 ? -7.298 64.795 -31.469 1.00 37.47 ? 139 GLN E CB 1 ATOM 3018 C CG . GLN I 1 139 ? -6.127 65.741 -31.592 1.00 39.91 ? 139 GLN E CG 1 ATOM 3019 C CD . GLN I 1 139 ? -4.896 65.046 -32.142 1.00 46.24 ? 139 GLN E CD 1 ATOM 3020 O OE1 . GLN I 1 139 ? -4.327 64.162 -31.506 1.00 55.42 ? 139 GLN E OE1 1 ATOM 3021 N NE2 . GLN I 1 139 ? -4.492 65.433 -33.326 1.00 38.45 ? 139 GLN E NE2 1 ATOM 3022 N N . PHE I 1 140 ? -9.510 66.571 -32.538 1.00 34.06 ? 140 PHE E N 1 ATOM 3023 C CA . PHE I 1 140 ? -10.008 67.728 -33.264 1.00 35.77 ? 140 PHE E CA 1 ATOM 3024 C C . PHE I 1 140 ? -11.022 68.541 -32.429 1.00 40.63 ? 140 PHE E C 1 ATOM 3025 O O . PHE I 1 140 ? -10.891 69.755 -32.298 1.00 45.41 ? 140 PHE E O 1 ATOM 3026 C CB . PHE I 1 140 ? -10.637 67.251 -34.583 1.00 29.80 ? 140 PHE E CB 1 ATOM 3027 C CG . PHE I 1 140 ? -11.052 68.352 -35.511 1.00 38.47 ? 140 PHE E CG 1 ATOM 3028 C CD1 . PHE I 1 140 ? -10.117 68.999 -36.306 1.00 40.71 ? 140 PHE E CD1 1 ATOM 3029 C CD2 . PHE I 1 140 ? -12.394 68.690 -35.644 1.00 46.43 ? 140 PHE E CD2 1 ATOM 3030 C CE1 . PHE I 1 140 ? -10.506 69.998 -37.191 1.00 51.97 ? 140 PHE E CE1 1 ATOM 3031 C CE2 . PHE I 1 140 ? -12.796 69.687 -36.522 1.00 44.56 ? 140 PHE E CE2 1 ATOM 3032 C CZ . PHE I 1 140 ? -11.852 70.344 -37.301 1.00 53.36 ? 140 PHE E CZ 1 ATOM 3033 N N . ASN I 1 141 ? -12.037 67.877 -31.881 1.00 36.07 ? 141 ASN E N 1 ATOM 3034 C CA . ASN I 1 141 ? -13.030 68.554 -31.034 1.00 40.43 ? 141 ASN E CA 1 ATOM 3035 C C . ASN I 1 141 ? -12.421 69.264 -29.812 1.00 43.60 ? 141 ASN E C 1 ATOM 3036 O O . ASN I 1 141 ? -12.806 70.380 -29.475 1.00 42.30 ? 141 ASN E O 1 ATOM 3037 C CB . ASN I 1 141 ? -14.087 67.562 -30.533 1.00 40.43 ? 141 ASN E CB 1 ATOM 3038 C CG . ASN I 1 141 ? -14.937 66.976 -31.645 1.00 51.44 ? 141 ASN E CG 1 ATOM 3039 O OD1 . ASN I 1 141 ? -15.580 65.936 -31.458 1.00 42.69 ? 141 ASN E OD1 1 ATOM 3040 N ND2 . ASN I 1 141 ? -14.954 67.635 -32.800 1.00 36.37 ? 141 ASN E ND2 1 ATOM 3041 N N . LEU I 1 142 ? -11.484 68.614 -29.132 1.00 46.59 ? 142 LEU E N 1 ATOM 3042 C CA . LEU I 1 142 ? -10.910 69.207 -27.922 1.00 45.61 ? 142 LEU E CA 1 ATOM 3043 C C . LEU I 1 142 ? -10.020 70.397 -28.259 1.00 52.12 ? 142 LEU E C 1 ATOM 3044 O O . LEU I 1 142 ? -10.067 71.419 -27.577 1.00 50.46 ? 142 LEU E O 1 ATOM 3045 C CB . LEU I 1 142 ? -10.120 68.171 -27.122 1.00 40.02 ? 142 LEU E CB 1 ATOM 3046 C CG . LEU I 1 142 ? -10.933 67.113 -26.376 1.00 52.07 ? 142 LEU E CG 1 ATOM 3047 C CD1 . LEU I 1 142 ? -10.010 66.214 -25.571 1.00 45.38 ? 142 LEU E CD1 1 ATOM 3048 C CD2 . LEU I 1 142 ? -11.960 67.761 -25.471 1.00 42.61 ? 142 LEU E CD2 1 ATOM 3049 N N . ASN I 1 143 ? -9.226 70.275 -29.319 1.00 49.56 ? 143 ASN E N 1 ATOM 3050 C CA . ASN I 1 143 ? -8.376 71.382 -29.739 1.00 50.14 ? 143 ASN E CA 1 ATOM 3051 C C . ASN I 1 143 ? -9.207 72.608 -30.091 1.00 60.87 ? 143 ASN E C 1 ATOM 3052 O O . ASN I 1 143 ? -8.856 73.726 -29.719 1.00 65.80 ? 143 ASN E O 1 ATOM 3053 C CB . ASN I 1 143 ? -7.487 70.970 -30.919 1.00 36.47 ? 143 ASN E CB 1 ATOM 3054 C CG . ASN I 1 143 ? -6.288 70.147 -30.479 1.00 53.46 ? 143 ASN E CG 1 ATOM 3055 O OD1 . ASN I 1 143 ? -5.916 70.146 -29.305 1.00 50.56 ? 143 ASN E OD1 1 ATOM 3056 N ND2 . ASN I 1 143 ? -5.678 69.445 -31.415 1.00 38.99 ? 143 ASN E ND2 1 ATOM 3057 N N . ASN I 1 144 ? -10.324 72.398 -30.782 1.00 50.13 ? 144 ASN E N 1 ATOM 3058 C CA . ASN I 1 144 ? -11.211 73.506 -31.125 1.00 51.18 ? 144 ASN E CA 1 ATOM 3059 C C . ASN I 1 144 ? -11.847 74.143 -29.886 1.00 54.55 ? 144 ASN E C 1 ATOM 3060 O O . ASN I 1 144 ? -11.992 75.362 -29.822 1.00 62.33 ? 144 ASN E O 1 ATOM 3061 C CB . ASN I 1 144 ? -12.298 73.044 -32.107 1.00 48.18 ? 144 ASN E CB 1 ATOM 3062 C CG . ASN I 1 144 ? -11.741 72.742 -33.489 1.00 60.19 ? 144 ASN E CG 1 ATOM 3063 O OD1 . ASN I 1 144 ? -10.615 73.118 -33.811 1.00 63.13 ? 144 ASN E OD1 1 ATOM 3064 N ND2 . ASN I 1 144 ? -12.526 72.055 -34.312 1.00 53.95 ? 144 ASN E ND2 1 ATOM 3065 N N . ASP I 1 145 ? -12.225 73.325 -28.906 1.00 54.40 ? 145 ASP E N 1 ATOM 3066 C CA . ASP I 1 145 ? -12.760 73.849 -27.653 1.00 65.21 ? 145 ASP E CA 1 ATOM 3067 C C . ASP I 1 145 ? -11.732 74.718 -26.947 1.00 70.27 ? 145 ASP E C 1 ATOM 3068 O O . ASP I 1 145 ? -12.062 75.785 -26.438 1.00 69.54 ? 145 ASP E O 1 ATOM 3069 C CB . ASP I 1 145 ? -13.201 72.717 -26.723 1.00 60.47 ? 145 ASP E CB 1 ATOM 3070 C CG . ASP I 1 145 ? -14.443 72.014 -27.216 1.00 71.90 ? 145 ASP E CG 1 ATOM 3071 O OD1 . ASP I 1 145 ? -15.052 72.503 -28.194 1.00 74.29 ? 145 ASP E OD1 1 ATOM 3072 O OD2 . ASP I 1 145 ? -14.813 70.978 -26.622 1.00 64.92 ? 145 ASP E OD2 1 ATOM 3073 N N . ILE I 1 146 ? -10.487 74.250 -26.922 1.00 69.94 ? 146 ILE E N 1 ATOM 3074 C CA . ILE I 1 146 ? -9.405 74.963 -26.253 1.00 69.93 ? 146 ILE E CA 1 ATOM 3075 C C . ILE I 1 146 ? -9.192 76.346 -26.864 1.00 80.81 ? 146 ILE E C 1 ATOM 3076 O O . ILE I 1 146 ? -9.041 77.330 -26.140 1.00 95.91 ? 146 ILE E O 1 ATOM 3077 C CB . ILE I 1 146 ? -8.086 74.162 -26.313 1.00 74.06 ? 146 ILE E CB 1 ATOM 3078 C CG1 . ILE I 1 146 ? -8.153 72.956 -25.373 1.00 58.44 ? 146 ILE E CG1 1 ATOM 3079 C CG2 . ILE I 1 146 ? -6.911 75.035 -25.945 1.00 59.75 ? 146 ILE E CG2 1 ATOM 3080 C CD1 . ILE I 1 146 ? -7.091 71.912 -25.655 1.00 64.84 ? 146 ILE E CD1 1 ATOM 3081 N N . GLN I 1 147 ? -9.190 76.416 -28.193 1.00 79.38 ? 147 GLN E N 1 ATOM 3082 C CA . GLN I 1 147 ? -9.057 77.691 -28.898 1.00 85.69 ? 147 GLN E CA 1 ATOM 3083 C C . GLN I 1 147 ? -10.195 78.654 -28.556 1.00 94.18 ? 147 GLN E C 1 ATOM 3084 O O . GLN I 1 147 ? -9.981 79.860 -28.436 1.00 105.83 ? 147 GLN E O 1 ATOM 3085 C CB . GLN I 1 147 ? -9.005 77.469 -30.412 1.00 75.78 ? 147 GLN E CB 1 ATOM 3086 C CG . GLN I 1 147 ? -7.718 76.821 -30.906 1.00 93.83 ? 147 GLN E CG 1 ATOM 3087 C CD . GLN I 1 147 ? -7.665 76.691 -32.422 1.00 116.37 ? 147 GLN E CD 1 ATOM 3088 O OE1 . GLN I 1 147 ? -8.497 77.255 -33.138 1.00 110.09 ? 147 GLN E OE1 1 ATOM 3089 N NE2 . GLN I 1 147 ? -6.685 75.942 -32.917 1.00 118.75 ? 147 GLN E NE2 1 ATOM 3090 N N . LEU I 1 148 ? -11.403 78.117 -28.407 1.00 90.12 ? 148 LEU E N 1 ATOM 3091 C CA . LEU I 1 148 ? -12.560 78.921 -28.025 1.00 92.00 ? 148 LEU E CA 1 ATOM 3092 C C . LEU I 1 148 ? -12.342 79.624 -26.689 1.00 99.23 ? 148 LEU E C 1 ATOM 3093 O O . LEU I 1 148 ? -12.712 80.786 -26.526 1.00 114.36 ? 148 LEU E O 1 ATOM 3094 C CB . LEU I 1 148 ? -13.820 78.055 -27.949 1.00 87.96 ? 148 LEU E CB 1 ATOM 3095 C CG . LEU I 1 148 ? -14.401 77.511 -29.255 1.00 88.93 ? 148 LEU E CG 1 ATOM 3096 C CD1 . LEU I 1 148 ? -15.652 76.686 -28.974 1.00 88.51 ? 148 LEU E CD1 1 ATOM 3097 C CD2 . LEU I 1 148 ? -14.712 78.641 -30.218 1.00 75.12 ? 148 LEU E CD2 1 ATOM 3098 N N . LYS I 1 149 ? -11.745 78.907 -25.739 1.00 107.12 ? 149 LYS E N 1 ATOM 3099 C CA . LYS I 1 149 ? -11.505 79.432 -24.395 1.00 103.72 ? 149 LYS E CA 1 ATOM 3100 C C . LYS I 1 149 ? -10.628 80.679 -24.404 1.00 113.02 ? 149 LYS E C 1 ATOM 3101 O O . LYS I 1 149 ? -10.977 81.698 -23.807 1.00 128.14 ? 149 LYS E O 1 ATOM 3102 C CB . LYS I 1 149 ? -10.853 78.365 -23.506 1.00 101.79 ? 149 LYS E CB 1 ATOM 3103 C CG . LYS I 1 149 ? -11.818 77.362 -22.887 1.00 106.18 ? 149 LYS E CG 1 ATOM 3104 C CD . LYS I 1 149 ? -11.160 76.612 -21.722 1.00 105.17 ? 149 LYS E CD 1 ATOM 3105 C CE . LYS I 1 149 ? -12.171 75.753 -20.974 1.00 105.36 ? 149 LYS E CE 1 ATOM 3106 N NZ . LYS I 1 149 ? -11.626 75.151 -19.725 1.00 97.23 ? 149 LYS E NZ 1 ATOM 3107 N N . THR I 1 150 ? -9.484 80.586 -25.074 1.00 113.01 ? 150 THR E N 1 ATOM 3108 C CA . THR I 1 150 ? -8.515 81.676 -25.098 1.00 124.19 ? 150 THR E CA 1 ATOM 3109 C C . THR I 1 150 ? -9.099 82.934 -25.734 1.00 133.11 ? 150 THR E C 1 ATOM 3110 O O . THR I 1 150 ? -8.898 84.044 -25.239 1.00 136.76 ? 150 THR E O 1 ATOM 3111 C CB . THR I 1 150 ? -7.235 81.274 -25.862 1.00 120.32 ? 150 THR E CB 1 ATOM 3112 O OG1 . THR I 1 150 ? -7.507 81.218 -27.267 1.00 113.93 ? 150 THR E OG1 1 ATOM 3113 C CG2 . THR I 1 150 ? -6.734 79.917 -25.389 1.00 108.56 ? 150 THR E CG2 1 ATOM 3114 N N . GLU I 1 151 ? -9.831 82.749 -26.827 1.00 135.72 ? 151 GLU E N 1 ATOM 3115 C CA . GLU I 1 151 ? -10.374 83.865 -27.592 1.00 141.04 ? 151 GLU E CA 1 ATOM 3116 C C . GLU I 1 151 ? -11.696 84.366 -27.014 1.00 145.86 ? 151 GLU E C 1 ATOM 3117 O O . GLU I 1 151 ? -12.348 85.238 -27.591 1.00 141.43 ? 151 GLU E O 1 ATOM 3118 C CB . GLU I 1 151 ? -10.555 83.455 -29.054 1.00 130.88 ? 151 GLU E CB 1 ATOM 3119 C CG . GLU I 1 151 ? -9.268 82.993 -29.719 1.00 129.03 ? 151 GLU E CG 1 ATOM 3120 C CD . GLU I 1 151 ? -9.499 82.405 -31.096 1.00 139.78 ? 151 GLU E CD 1 ATOM 3121 O OE1 . GLU I 1 151 ? -10.656 82.055 -31.406 1.00 143.09 ? 151 GLU E OE1 1 ATOM 3122 O OE2 . GLU I 1 151 ? -8.522 82.295 -31.868 1.00 143.00 ? 151 GLU E OE2 1 ATOM 3123 N N . GLY I 1 152 ? -12.084 83.811 -25.870 1.00 143.43 ? 152 GLY E N 1 ATOM 3124 C CA . GLY I 1 152 ? -13.304 84.221 -25.199 1.00 133.66 ? 152 GLY E CA 1 ATOM 3125 C C . GLY I 1 152 ? -13.016 84.976 -23.916 1.00 138.49 ? 152 GLY E C 1 ATOM 3126 O O . GLY I 1 152 ? -11.863 85.083 -23.494 1.00 135.66 ? 152 GLY E O 1 ATOM 3127 N N . LYS J 1 157 ? -14.382 79.524 -19.015 1.00 127.13 ? 157 LYS F N 1 ATOM 3128 C CA . LYS J 1 157 ? -14.524 78.547 -17.943 1.00 113.52 ? 157 LYS F CA 1 ATOM 3129 C C . LYS J 1 157 ? -15.823 77.760 -18.079 1.00 121.97 ? 157 LYS F C 1 ATOM 3130 O O . LYS J 1 157 ? -15.987 76.707 -17.460 1.00 112.67 ? 157 LYS F O 1 ATOM 3131 C CB . LYS J 1 157 ? -14.462 79.236 -16.579 1.00 122.21 ? 157 LYS F CB 1 ATOM 3132 C CG . LYS J 1 157 ? -13.101 79.821 -16.244 1.00 126.68 ? 157 LYS F CG 1 ATOM 3133 C CD . LYS J 1 157 ? -13.094 80.453 -14.861 1.00 132.68 ? 157 LYS F CD 1 ATOM 3134 C CE . LYS J 1 157 ? -11.718 80.996 -14.509 1.00 125.38 ? 157 LYS F CE 1 ATOM 3135 N NZ . LYS J 1 157 ? -11.717 81.701 -13.198 1.00 119.07 ? 157 LYS F NZ 1 ATOM 3136 N N . ASN J 1 158 ? -16.745 78.276 -18.887 1.00 126.39 ? 158 ASN F N 1 ATOM 3137 C CA . ASN J 1 158 ? -17.980 77.560 -19.194 1.00 124.04 ? 158 ASN F CA 1 ATOM 3138 C C . ASN J 1 158 ? -17.738 76.506 -20.273 1.00 116.09 ? 158 ASN F C 1 ATOM 3139 O O . ASN J 1 158 ? -18.647 75.770 -20.664 1.00 91.59 ? 158 ASN F O 1 ATOM 3140 C CB . ASN J 1 158 ? -19.077 78.533 -19.633 1.00 113.03 ? 158 ASN F CB 1 ATOM 3141 C CG . ASN J 1 158 ? -18.653 79.402 -20.801 1.00 129.98 ? 158 ASN F CG 1 ATOM 3142 O OD1 . ASN J 1 158 ? -18.040 80.454 -20.615 1.00 134.43 ? 158 ASN F OD1 1 ATOM 3143 N ND2 . ASN J 1 158 ? -18.980 78.967 -22.015 1.00 120.46 ? 158 ASN F ND2 1 ATOM 3144 N N . SER J 1 159 ? -16.499 76.446 -20.751 1.00 105.41 ? 159 SER F N 1 ATOM 3145 C CA . SER J 1 159 ? -16.087 75.425 -21.703 1.00 89.32 ? 159 SER F CA 1 ATOM 3146 C C . SER J 1 159 ? -15.746 74.134 -20.966 1.00 93.44 ? 159 SER F C 1 ATOM 3147 O O . SER J 1 159 ? -15.849 73.041 -21.526 1.00 78.25 ? 159 SER F O 1 ATOM 3148 C CB . SER J 1 159 ? -14.886 75.904 -22.521 1.00 88.93 ? 159 SER F CB 1 ATOM 3149 O OG . SER J 1 159 ? -15.144 77.156 -23.130 1.00 104.85 ? 159 SER F OG 1 ATOM 3150 N N . GLU J 1 160 ? -15.337 74.277 -19.707 1.00 94.71 ? 160 GLU F N 1 ATOM 3151 C CA . GLU J 1 160 ? -15.015 73.139 -18.853 1.00 90.98 ? 160 GLU F CA 1 ATOM 3152 C C . GLU J 1 160 ? -16.156 72.133 -18.842 1.00 85.06 ? 160 GLU F C 1 ATOM 3153 O O . GLU J 1 160 ? -15.934 70.926 -18.758 1.00 79.34 ? 160 GLU F O 1 ATOM 3154 C CB . GLU J 1 160 ? -14.712 73.605 -17.425 1.00 96.42 ? 160 GLU F CB 1 ATOM 3155 C CG . GLU J 1 160 ? -14.551 72.472 -16.420 1.00 95.11 ? 160 GLU F CG 1 ATOM 3156 C CD . GLU J 1 160 ? -14.395 72.966 -14.991 1.00 109.78 ? 160 GLU F CD 1 ATOM 3157 O OE1 . GLU J 1 160 ? -14.307 72.121 -14.076 1.00 115.53 ? 160 GLU F OE1 1 ATOM 3158 O OE2 . GLU J 1 160 ? -14.360 74.196 -14.780 1.00 119.35 ? 160 GLU F OE2 1 ATOM 3159 N N . MET J 1 161 ? -17.379 72.645 -18.928 1.00 90.86 ? 161 MET F N 1 ATOM 3160 C CA . MET J 1 161 ? -18.568 71.808 -18.972 1.00 84.69 ? 161 MET F CA 1 ATOM 3161 C C . MET J 1 161 ? -18.617 70.988 -20.265 1.00 82.77 ? 161 MET F C 1 ATOM 3162 O O . MET J 1 161 ? -18.845 69.777 -20.232 1.00 73.41 ? 161 MET F O 1 ATOM 3163 C CB . MET J 1 161 ? -19.824 72.672 -18.839 1.00 90.06 ? 161 MET F CB 1 ATOM 3164 C CG . MET J 1 161 ? -21.131 71.894 -18.779 1.00 95.45 ? 161 MET F CG 1 ATOM 3165 S SD . MET J 1 161 ? -21.214 70.783 -17.362 1.00 123.79 ? 161 MET F SD 1 ATOM 3166 C CE . MET J 1 161 ? -20.807 71.903 -16.023 1.00 109.04 ? 161 MET F CE 1 ATOM 3167 N N . LYS J 1 162 ? -18.398 71.648 -21.399 1.00 68.88 ? 162 LYS F N 1 ATOM 3168 C CA . LYS J 1 162 ? -18.484 70.977 -22.690 1.00 73.38 ? 162 LYS F CA 1 ATOM 3169 C C . LYS J 1 162 ? -17.365 69.957 -22.838 1.00 63.23 ? 162 LYS F C 1 ATOM 3170 O O . LYS J 1 162 ? -17.602 68.831 -23.263 1.00 68.45 ? 162 LYS F O 1 ATOM 3171 C CB . LYS J 1 162 ? -18.451 71.995 -23.838 1.00 63.11 ? 162 LYS F CB 1 ATOM 3172 C CG . LYS J 1 162 ? -19.698 72.871 -23.888 1.00 84.91 ? 162 LYS F CG 1 ATOM 3173 C CD . LYS J 1 162 ? -19.719 73.800 -25.094 1.00 98.89 ? 162 LYS F CD 1 ATOM 3174 C CE . LYS J 1 162 ? -21.064 74.520 -25.201 1.00 94.91 ? 162 LYS F CE 1 ATOM 3175 N NZ . LYS J 1 162 ? -21.148 75.444 -26.369 1.00 103.63 ? 162 LYS F NZ 1 ATOM 3176 N N . ILE J 1 163 ? -16.153 70.348 -22.454 1.00 74.70 ? 163 ILE F N 1 ATOM 3177 C CA . ILE J 1 163 ? -14.994 69.472 -22.566 1.00 54.69 ? 163 ILE F CA 1 ATOM 3178 C C . ILE J 1 163 ? -15.203 68.172 -21.798 1.00 47.15 ? 163 ILE F C 1 ATOM 3179 O O . ILE J 1 163 ? -14.822 67.099 -22.273 1.00 47.37 ? 163 ILE F O 1 ATOM 3180 C CB . ILE J 1 163 ? -13.723 70.173 -22.073 1.00 56.39 ? 163 ILE F CB 1 ATOM 3181 C CG1 . ILE J 1 163 ? -13.332 71.262 -23.069 1.00 56.78 ? 163 ILE F CG1 1 ATOM 3182 C CG2 . ILE J 1 163 ? -12.594 69.176 -21.903 1.00 47.20 ? 163 ILE F CG2 1 ATOM 3183 C CD1 . ILE J 1 163 ? -12.283 72.206 -22.560 1.00 70.70 ? 163 ILE F CD1 1 ATOM 3184 N N . ASN J 1 164 ? -15.849 68.251 -20.640 1.00 48.20 ? 164 ASN F N 1 ATOM 3185 C CA . ASN J 1 164 ? -16.041 67.055 -19.834 1.00 40.21 ? 164 ASN F CA 1 ATOM 3186 C C . ASN J 1 164 ? -17.227 66.211 -20.293 1.00 50.49 ? 164 ASN F C 1 ATOM 3187 O O . ASN J 1 164 ? -17.259 65.008 -20.034 1.00 53.37 ? 164 ASN F O 1 ATOM 3188 C CB . ASN J 1 164 ? -16.168 67.421 -18.356 1.00 52.19 ? 164 ASN F CB 1 ATOM 3189 C CG . ASN J 1 164 ? -14.803 67.558 -17.683 1.00 83.26 ? 164 ASN F CG 1 ATOM 3190 O OD1 . ASN J 1 164 ? -14.059 66.580 -17.567 1.00 57.53 ? 164 ASN F OD1 1 ATOM 3191 N ND2 . ASN J 1 164 ? -14.457 68.774 -17.266 1.00 61.78 ? 164 ASN F ND2 1 ATOM 3192 N N . LEU J 1 165 ? -18.178 66.828 -20.990 1.00 58.55 ? 165 LEU F N 1 ATOM 3193 C CA . LEU J 1 165 ? -19.248 66.083 -21.659 1.00 60.87 ? 165 LEU F CA 1 ATOM 3194 C C . LEU J 1 165 ? -18.662 65.288 -22.822 1.00 40.59 ? 165 LEU F C 1 ATOM 3195 O O . LEU J 1 165 ? -18.973 64.114 -23.021 1.00 50.39 ? 165 LEU F O 1 ATOM 3196 C CB . LEU J 1 165 ? -20.352 67.026 -22.157 1.00 52.65 ? 165 LEU F CB 1 ATOM 3197 C CG . LEU J 1 165 ? -21.191 67.654 -21.032 1.00 88.58 ? 165 LEU F CG 1 ATOM 3198 C CD1 . LEU J 1 165 ? -22.269 68.595 -21.570 1.00 84.38 ? 165 LEU F CD1 1 ATOM 3199 C CD2 . LEU J 1 165 ? -21.814 66.580 -20.140 1.00 65.23 ? 165 LEU F CD2 1 ATOM 3200 N N . ARG J 1 166 ? -17.786 65.933 -23.575 1.00 45.32 ? 166 ARG F N 1 ATOM 3201 C CA . ARG J 1 166 ? -17.086 65.263 -24.658 1.00 34.57 ? 166 ARG F CA 1 ATOM 3202 C C . ARG J 1 166 ? -16.258 64.084 -24.149 1.00 43.82 ? 166 ARG F C 1 ATOM 3203 O O . ARG J 1 166 ? -16.327 62.988 -24.703 1.00 44.54 ? 166 ARG F O 1 ATOM 3204 C CB . ARG J 1 166 ? -16.196 66.254 -25.394 1.00 41.59 ? 166 ARG F CB 1 ATOM 3205 C CG . ARG J 1 166 ? -15.636 65.703 -26.686 1.00 51.01 ? 166 ARG F CG 1 ATOM 3206 C CD . ARG J 1 166 ? -16.741 65.327 -27.687 1.00 53.86 ? 166 ARG F CD 1 ATOM 3207 N NE . ARG J 1 166 ? -16.143 64.720 -28.867 1.00 40.84 ? 166 ARG F NE 1 ATOM 3208 C CZ . ARG J 1 166 ? -15.839 63.429 -28.981 1.00 54.49 ? 166 ARG F CZ 1 ATOM 3209 N NH1 . ARG J 1 166 ? -16.123 62.586 -27.993 1.00 35.85 ? 166 ARG F NH1 1 ATOM 3210 N NH2 . ARG J 1 166 ? -15.257 62.977 -30.091 1.00 40.26 ? 166 ARG F NH2 1 ATOM 3211 N N . LEU J 1 167 ? -15.491 64.301 -23.081 1.00 38.10 ? 167 LEU F N 1 ATOM 3212 C CA . LEU J 1 167 ? -14.646 63.239 -22.553 1.00 44.21 ? 167 LEU F CA 1 ATOM 3213 C C . LEU J 1 167 ? -15.478 62.081 -22.028 1.00 43.27 ? 167 LEU F C 1 ATOM 3214 O O . LEU J 1 167 ? -15.080 60.915 -22.173 1.00 38.12 ? 167 LEU F O 1 ATOM 3215 C CB . LEU J 1 167 ? -13.718 63.774 -21.456 1.00 40.74 ? 167 LEU F CB 1 ATOM 3216 C CG . LEU J 1 167 ? -12.525 64.562 -22.005 1.00 43.81 ? 167 LEU F CG 1 ATOM 3217 C CD1 . LEU J 1 167 ? -11.754 65.289 -20.903 1.00 44.71 ? 167 LEU F CD1 1 ATOM 3218 C CD2 . LEU J 1 167 ? -11.602 63.627 -22.778 1.00 33.86 ? 167 LEU F CD2 1 ATOM 3219 N N . GLU J 1 168 ? -16.627 62.393 -21.424 1.00 39.72 ? 168 GLU F N 1 ATOM 3220 C CA . GLU J 1 168 ? -17.526 61.354 -20.914 1.00 49.47 ? 168 GLU F CA 1 ATOM 3221 C C . GLU J 1 168 ? -18.044 60.465 -22.041 1.00 43.40 ? 168 GLU F C 1 ATOM 3222 O O . GLU J 1 168 ? -18.050 59.236 -21.914 1.00 45.53 ? 168 GLU F O 1 ATOM 3223 C CB . GLU J 1 168 ? -18.707 61.974 -20.149 1.00 46.35 ? 168 GLU F CB 1 ATOM 3224 C CG . GLU J 1 168 ? -18.344 62.449 -18.744 1.00 62.27 ? 168 GLU F CG 1 ATOM 3225 C CD . GLU J 1 168 ? -17.850 61.316 -17.857 1.00 69.02 ? 168 GLU F CD 1 ATOM 3226 O OE1 . GLU J 1 168 ? -18.220 60.150 -18.115 1.00 86.55 ? 168 GLU F OE1 1 ATOM 3227 O OE2 . GLU J 1 168 ? -17.085 61.587 -16.910 1.00 72.84 ? 168 GLU F OE2 1 ATOM 3228 N N . GLN J 1 169 ? -18.482 61.082 -23.141 1.00 44.88 ? 169 GLN F N 1 ATOM 3229 C CA . GLN J 1 169 ? -18.901 60.324 -24.313 1.00 38.16 ? 169 GLN F CA 1 ATOM 3230 C C . GLN J 1 169 ? -17.773 59.413 -24.790 1.00 42.00 ? 169 GLN F C 1 ATOM 3231 O O . GLN J 1 169 ? -17.983 58.230 -25.052 1.00 39.80 ? 169 GLN F O 1 ATOM 3232 C CB . GLN J 1 169 ? -19.311 61.252 -25.466 1.00 44.59 ? 169 GLN F CB 1 ATOM 3233 C CG . GLN J 1 169 ? -20.562 62.089 -25.273 1.00 49.62 ? 169 GLN F CG 1 ATOM 3234 C CD . GLN J 1 169 ? -20.913 62.894 -26.529 1.00 70.83 ? 169 GLN F CD 1 ATOM 3235 O OE1 . GLN J 1 169 ? -20.074 63.090 -27.416 1.00 68.51 ? 169 GLN F OE1 1 ATOM 3236 N NE2 . GLN J 1 169 ? -22.154 63.355 -26.610 1.00 77.06 ? 169 GLN F NE2 1 ATOM 3237 N N . PHE J 1 170 ? -16.579 59.983 -24.926 1.00 38.93 ? 170 PHE F N 1 ATOM 3238 C CA . PHE J 1 170 ? -15.403 59.228 -25.354 1.00 33.84 ? 170 PHE F CA 1 ATOM 3239 C C . PHE J 1 170 ? -15.124 58.006 -24.482 1.00 36.95 ? 170 PHE F C 1 ATOM 3240 O O . PHE J 1 170 ? -14.843 56.916 -24.990 1.00 35.07 ? 170 PHE F O 1 ATOM 3241 C CB . PHE J 1 170 ? -14.177 60.136 -25.363 1.00 41.97 ? 170 PHE F CB 1 ATOM 3242 C CG . PHE J 1 170 ? -12.900 59.424 -25.701 1.00 44.98 ? 170 PHE F CG 1 ATOM 3243 C CD1 . PHE J 1 170 ? -12.605 59.089 -27.012 1.00 39.94 ? 170 PHE F CD1 1 ATOM 3244 C CD2 . PHE J 1 170 ? -11.985 59.094 -24.707 1.00 31.59 ? 170 PHE F CD2 1 ATOM 3245 C CE1 . PHE J 1 170 ? -11.422 58.438 -27.326 1.00 44.13 ? 170 PHE F CE1 1 ATOM 3246 C CE2 . PHE J 1 170 ? -10.806 58.438 -25.018 1.00 37.13 ? 170 PHE F CE2 1 ATOM 3247 C CZ . PHE J 1 170 ? -10.521 58.114 -26.325 1.00 43.92 ? 170 PHE F CZ 1 ATOM 3248 N N . LYS J 1 171 ? -15.218 58.177 -23.167 1.00 34.44 ? 171 LYS F N 1 ATOM 3249 C CA . LYS J 1 171 ? -14.953 57.065 -22.258 1.00 37.94 ? 171 LYS F CA 1 ATOM 3250 C C . LYS J 1 171 ? -15.947 55.927 -22.492 1.00 38.95 ? 171 LYS F C 1 ATOM 3251 O O . LYS J 1 171 ? -15.541 54.766 -22.608 1.00 40.38 ? 171 LYS F O 1 ATOM 3252 C CB . LYS J 1 171 ? -14.984 57.529 -20.787 1.00 36.15 ? 171 LYS F CB 1 ATOM 3253 C CG . LYS J 1 171 ? -13.746 58.349 -20.389 1.00 51.96 ? 171 LYS F CG 1 ATOM 3254 C CD . LYS J 1 171 ? -13.527 58.418 -18.855 1.00 47.24 ? 171 LYS F CD 1 ATOM 3255 C CE . LYS J 1 171 ? -14.695 59.096 -18.147 1.00 55.77 ? 171 LYS F CE 1 ATOM 3256 N NZ . LYS J 1 171 ? -14.321 59.642 -16.817 1.00 55.23 ? 171 LYS F NZ 1 ATOM 3257 N N . LYS J 1 172 ? -17.243 56.238 -22.563 1.00 34.19 ? 172 LYS F N 1 ATOM 3258 C CA . LYS J 1 172 ? -18.225 55.197 -22.880 1.00 39.89 ? 172 LYS F CA 1 ATOM 3259 C C . LYS J 1 172 ? -17.922 54.542 -24.233 1.00 34.49 ? 172 LYS F C 1 ATOM 3260 O O . LYS J 1 172 ? -17.934 53.315 -24.373 1.00 40.09 ? 172 LYS F O 1 ATOM 3261 C CB . LYS J 1 172 ? -19.645 55.767 -22.876 1.00 50.87 ? 172 LYS F CB 1 ATOM 3262 C CG . LYS J 1 172 ? -20.119 56.318 -21.517 1.00 51.63 ? 172 LYS F CG 1 ATOM 3263 C CD . LYS J 1 172 ? -21.625 56.602 -21.573 1.00 70.05 ? 172 LYS F CD 1 ATOM 3264 C CE . LYS J 1 172 ? -21.994 57.919 -20.915 1.00 75.31 ? 172 LYS F CE 1 ATOM 3265 N NZ . LYS J 1 172 ? -21.619 57.945 -19.481 1.00 62.14 ? 172 LYS F NZ 1 ATOM 3266 N N . GLU J 1 173 ? -17.645 55.363 -25.233 1.00 31.43 ? 173 GLU F N 1 ATOM 3267 C CA . GLU J 1 173 ? -17.290 54.844 -26.543 1.00 31.21 ? 173 GLU F CA 1 ATOM 3268 C C . GLU J 1 173 ? -16.051 53.939 -26.510 1.00 35.58 ? 173 GLU F C 1 ATOM 3269 O O . GLU J 1 173 ? -16.025 52.887 -27.150 1.00 35.83 ? 173 GLU F O 1 ATOM 3270 C CB . GLU J 1 173 ? -17.064 55.997 -27.518 1.00 44.46 ? 173 GLU F CB 1 ATOM 3271 C CG . GLU J 1 173 ? -16.562 55.551 -28.896 1.00 48.21 ? 173 GLU F CG 1 ATOM 3272 C CD . GLU J 1 173 ? -17.616 54.794 -29.704 1.00 44.35 ? 173 GLU F CD 1 ATOM 3273 O OE1 . GLU J 1 173 ? -18.758 54.659 -29.234 1.00 43.36 ? 173 GLU F OE1 1 ATOM 3274 O OE2 . GLU J 1 173 ? -17.303 54.320 -30.814 1.00 49.37 ? 173 GLU F OE2 1 ATOM 3275 N N . LEU J 1 174 ? -15.027 54.325 -25.754 1.00 36.42 ? 174 LEU F N 1 ATOM 3276 C CA . LEU J 1 174 ? -13.837 53.484 -25.698 1.00 29.58 ? 174 LEU F CA 1 ATOM 3277 C C . LEU J 1 174 ? -14.117 52.140 -25.034 1.00 34.24 ? 174 LEU F C 1 ATOM 3278 O O . LEU J 1 174 ? -13.568 51.131 -25.446 1.00 37.25 ? 174 LEU F O 1 ATOM 3279 C CB . LEU J 1 174 ? -12.692 54.186 -24.970 1.00 34.05 ? 174 LEU F CB 1 ATOM 3280 C CG . LEU J 1 174 ? -11.343 53.773 -25.557 1.00 43.85 ? 174 LEU F CG 1 ATOM 3281 C CD1 . LEU J 1 174 ? -11.081 54.516 -26.865 1.00 48.73 ? 174 LEU F CD1 1 ATOM 3282 C CD2 . LEU J 1 174 ? -10.219 53.978 -24.570 1.00 80.83 ? 174 LEU F CD2 1 ATOM 3283 N N . VAL J 1 175 ? -14.961 52.114 -24.004 1.00 32.11 ? 175 VAL F N 1 ATOM 3284 C CA . VAL J 1 175 ? -15.341 50.839 -23.399 1.00 37.38 ? 175 VAL F CA 1 ATOM 3285 C C . VAL J 1 175 ? -16.108 49.961 -24.408 1.00 35.69 ? 175 VAL F C 1 ATOM 3286 O O . VAL J 1 175 ? -15.874 48.749 -24.491 1.00 40.47 ? 175 VAL F O 1 ATOM 3287 C CB . VAL J 1 175 ? -16.193 51.042 -22.109 1.00 47.17 ? 175 VAL F CB 1 ATOM 3288 C CG1 . VAL J 1 175 ? -16.612 49.707 -21.516 1.00 40.03 ? 175 VAL F CG1 1 ATOM 3289 C CG2 . VAL J 1 175 ? -15.420 51.837 -21.070 1.00 34.89 ? 175 VAL F CG2 1 ATOM 3290 N N . LEU J 1 176 ? -17.015 50.556 -25.178 1.00 39.49 ? 176 LEU F N 1 ATOM 3291 C CA . LEU J 1 176 ? -17.743 49.777 -26.184 1.00 36.45 ? 176 LEU F CA 1 ATOM 3292 C C . LEU J 1 176 ? -16.755 49.182 -27.171 1.00 38.99 ? 176 LEU F C 1 ATOM 3293 O O . LEU J 1 176 ? -16.864 48.010 -27.552 1.00 41.07 ? 176 LEU F O 1 ATOM 3294 C CB . LEU J 1 176 ? -18.770 50.628 -26.943 1.00 44.63 ? 176 LEU F CB 1 ATOM 3295 C CG . LEU J 1 176 ? -20.072 51.151 -26.332 1.00 52.49 ? 176 LEU F CG 1 ATOM 3296 C CD1 . LEU J 1 176 ? -20.997 51.659 -27.459 1.00 44.75 ? 176 LEU F CD1 1 ATOM 3297 C CD2 . LEU J 1 176 ? -20.776 50.097 -25.497 1.00 39.52 ? 176 LEU F CD2 1 ATOM 3298 N N . TYR J 1 177 ? -15.789 49.995 -27.593 1.00 32.73 ? 177 TYR F N 1 ATOM 3299 C CA . TYR J 1 177 ? -14.798 49.533 -28.558 1.00 32.74 ? 177 TYR F CA 1 ATOM 3300 C C . TYR J 1 177 ? -14.029 48.305 -28.050 1.00 40.45 ? 177 TYR F C 1 ATOM 3301 O O . TYR J 1 177 ? -13.906 47.308 -28.752 1.00 40.97 ? 177 TYR F O 1 ATOM 3302 C CB . TYR J 1 177 ? -13.806 50.654 -28.907 1.00 40.38 ? 177 TYR F CB 1 ATOM 3303 C CG . TYR J 1 177 ? -12.689 50.156 -29.806 1.00 46.97 ? 177 TYR F CG 1 ATOM 3304 C CD1 . TYR J 1 177 ? -12.840 50.140 -31.193 1.00 41.08 ? 177 TYR F CD1 1 ATOM 3305 C CD2 . TYR J 1 177 ? -11.502 49.665 -29.270 1.00 40.89 ? 177 TYR F CD2 1 ATOM 3306 C CE1 . TYR J 1 177 ? -11.834 49.656 -32.013 1.00 35.55 ? 177 TYR F CE1 1 ATOM 3307 C CE2 . TYR J 1 177 ? -10.496 49.178 -30.078 1.00 41.39 ? 177 TYR F CE2 1 ATOM 3308 C CZ . TYR J 1 177 ? -10.666 49.181 -31.453 1.00 42.99 ? 177 TYR F CZ 1 ATOM 3309 O OH . TYR J 1 177 ? -9.662 48.705 -32.258 1.00 43.36 ? 177 TYR F OH 1 ATOM 3310 N N . GLU J 1 178 ? -13.487 48.384 -26.836 1.00 39.60 ? 178 GLU F N 1 ATOM 3311 C CA . GLU J 1 178 ? -12.707 47.270 -26.286 1.00 36.30 ? 178 GLU F CA 1 ATOM 3312 C C . GLU J 1 178 ? -13.594 46.062 -26.035 1.00 31.78 ? 178 GLU F C 1 ATOM 3313 O O . GLU J 1 178 ? -13.182 44.923 -26.229 1.00 44.29 ? 178 GLU F O 1 ATOM 3314 C CB . GLU J 1 178 ? -12.011 47.677 -24.971 1.00 34.95 ? 178 GLU F CB 1 ATOM 3315 C CG . GLU J 1 178 ? -10.996 48.790 -25.129 1.00 38.50 ? 178 GLU F CG 1 ATOM 3316 C CD . GLU J 1 178 ? -9.840 48.385 -26.009 1.00 46.16 ? 178 GLU F CD 1 ATOM 3317 O OE1 . GLU J 1 178 ? -9.510 47.181 -26.034 1.00 45.26 ? 178 GLU F OE1 1 ATOM 3318 O OE2 . GLU J 1 178 ? -9.258 49.266 -26.673 1.00 51.03 ? 178 GLU F OE2 1 ATOM 3319 N N . GLN J 1 179 ? -14.802 46.311 -25.548 1.00 31.99 ? 179 GLN F N 1 ATOM 3320 C CA . GLN J 1 179 ? -15.754 45.228 -25.367 1.00 42.76 ? 179 GLN F CA 1 ATOM 3321 C C . GLN J 1 179 ? -15.950 44.436 -26.661 1.00 54.35 ? 179 GLN F C 1 ATOM 3322 O O . GLN J 1 179 ? -15.964 43.211 -26.648 1.00 52.92 ? 179 GLN F O 1 ATOM 3323 C CB . GLN J 1 179 ? -17.091 45.776 -24.882 1.00 47.41 ? 179 GLN F CB 1 ATOM 3324 C CG . GLN J 1 179 ? -18.141 44.714 -24.649 1.00 54.46 ? 179 GLN F CG 1 ATOM 3325 C CD . GLN J 1 179 ? -17.925 43.961 -23.342 1.00 84.78 ? 179 GLN F CD 1 ATOM 3326 O OE1 . GLN J 1 179 ? -16.835 43.996 -22.759 1.00 66.51 ? 179 GLN F OE1 1 ATOM 3327 N NE2 . GLN J 1 179 ? -18.970 43.282 -22.871 1.00 74.55 ? 179 GLN F NE2 1 ATOM 3328 N N . LYS J 1 180 ? -16.085 45.139 -27.782 1.00 52.54 ? 180 LYS F N 1 ATOM 3329 C CA . LYS J 1 180 ? -16.357 44.478 -29.056 1.00 43.50 ? 180 LYS F CA 1 ATOM 3330 C C . LYS J 1 180 ? -15.123 43.765 -29.603 1.00 43.54 ? 180 LYS F C 1 ATOM 3331 O O . LYS J 1 180 ? -15.226 42.671 -30.145 1.00 48.18 ? 180 LYS F O 1 ATOM 3332 C CB . LYS J 1 180 ? -16.884 45.489 -30.079 1.00 52.97 ? 180 LYS F CB 1 ATOM 3333 C CG . LYS J 1 180 ? -17.133 44.925 -31.485 1.00 49.84 ? 180 LYS F CG 1 ATOM 3334 C CD . LYS J 1 180 ? -17.584 46.057 -32.417 1.00 73.72 ? 180 LYS F CD 1 ATOM 3335 C CE . LYS J 1 180 ? -17.483 45.713 -33.902 1.00 82.81 ? 180 LYS F CE 1 ATOM 3336 N NZ . LYS J 1 180 ? -17.742 46.928 -34.748 1.00 67.42 ? 180 LYS F NZ 1 ATOM 3337 N N . LYS J 1 181 ? -13.958 44.381 -29.440 1.00 47.70 ? 181 LYS F N 1 ATOM 3338 C CA . LYS J 1 181 ? -12.699 43.800 -29.901 1.00 40.69 ? 181 LYS F CA 1 ATOM 3339 C C . LYS J 1 181 ? -12.454 42.414 -29.292 1.00 55.16 ? 181 LYS F C 1 ATOM 3340 O O . LYS J 1 181 ? -11.967 41.510 -29.964 1.00 56.98 ? 181 LYS F O 1 ATOM 3341 C CB . LYS J 1 181 ? -11.545 44.751 -29.562 1.00 44.60 ? 181 LYS F CB 1 ATOM 3342 C CG . LYS J 1 181 ? -10.191 44.378 -30.133 1.00 60.89 ? 181 LYS F CG 1 ATOM 3343 C CD . LYS J 1 181 ? -9.201 45.533 -29.968 1.00 63.16 ? 181 LYS F CD 1 ATOM 3344 C CE . LYS J 1 181 ? -8.065 45.463 -30.987 1.00 86.88 ? 181 LYS F CE 1 ATOM 3345 N NZ . LYS J 1 181 ? -7.545 46.824 -31.375 1.00 67.72 ? 181 LYS F NZ 1 ATOM 3346 N N . PHE J 1 182 ? -12.809 42.246 -28.020 1.00 45.38 ? 182 PHE F N 1 ATOM 3347 C CA . PHE J 1 182 ? -12.543 40.996 -27.312 1.00 51.78 ? 182 PHE F CA 1 ATOM 3348 C C . PHE J 1 182 ? -13.801 40.138 -27.165 1.00 55.46 ? 182 PHE F C 1 ATOM 3349 O O . PHE J 1 182 ? -13.802 39.146 -26.438 1.00 60.07 ? 182 PHE F O 1 ATOM 3350 C CB . PHE J 1 182 ? -11.919 41.292 -25.931 1.00 42.56 ? 182 PHE F CB 1 ATOM 3351 C CG . PHE J 1 182 ? -10.538 41.900 -26.022 1.00 52.06 ? 182 PHE F CG 1 ATOM 3352 C CD1 . PHE J 1 182 ? -9.428 41.100 -26.261 1.00 45.05 ? 182 PHE F CD1 1 ATOM 3353 C CD2 . PHE J 1 182 ? -10.357 43.269 -25.911 1.00 38.99 ? 182 PHE F CD2 1 ATOM 3354 C CE1 . PHE J 1 182 ? -8.157 41.652 -26.376 1.00 51.80 ? 182 PHE F CE1 1 ATOM 3355 C CE2 . PHE J 1 182 ? -9.093 43.829 -26.021 1.00 46.44 ? 182 PHE F CE2 1 ATOM 3356 C CZ . PHE J 1 182 ? -7.988 43.017 -26.261 1.00 48.02 ? 182 PHE F CZ 1 ATOM 3357 N N . LYS J 1 183 ? -14.862 40.513 -27.870 1.00 51.21 ? 183 LYS F N 1 ATOM 3358 C CA . LYS J 1 183 ? -16.131 39.790 -27.787 1.00 58.90 ? 183 LYS F CA 1 ATOM 3359 C C . LYS J 1 183 ? -15.992 38.301 -28.113 1.00 56.11 ? 183 LYS F C 1 ATOM 3360 O O . LYS J 1 183 ? -16.560 37.457 -27.425 1.00 62.15 ? 183 LYS F O 1 ATOM 3361 C CB . LYS J 1 183 ? -17.165 40.420 -28.722 1.00 64.66 ? 183 LYS F CB 1 ATOM 3362 C CG . LYS J 1 183 ? -18.557 39.822 -28.582 1.00 59.97 ? 183 LYS F CG 1 ATOM 3363 C CD . LYS J 1 183 ? -19.556 40.524 -29.491 1.00 95.37 ? 183 LYS F CD 1 ATOM 3364 C CE . LYS J 1 183 ? -20.957 39.956 -29.317 1.00 103.65 ? 183 LYS F CE 1 ATOM 3365 N NZ . LYS J 1 183 ? -21.962 40.731 -30.092 1.00 103.18 ? 183 LYS F NZ 1 ATOM 3366 N N . GLU J 1 184 ? -15.233 37.982 -29.156 1.00 59.31 ? 184 GLU F N 1 ATOM 3367 C CA . GLU J 1 184 ? -15.081 36.596 -29.587 1.00 71.86 ? 184 GLU F CA 1 ATOM 3368 C C . GLU J 1 184 ? -14.350 35.759 -28.541 1.00 72.93 ? 184 GLU F C 1 ATOM 3369 O O . GLU J 1 184 ? -14.739 34.622 -28.267 1.00 79.11 ? 184 GLU F O 1 ATOM 3370 C CB . GLU J 1 184 ? -14.353 36.526 -30.933 1.00 71.34 ? 184 GLU F CB 1 ATOM 3371 C CG . GLU J 1 184 ? -13.049 37.305 -30.978 1.00 100.92 ? 184 GLU F CG 1 ATOM 3372 C CD . GLU J 1 184 ? -12.295 37.115 -32.284 1.00 112.66 ? 184 GLU F CD 1 ATOM 3373 O OE1 . GLU J 1 184 ? -11.262 37.790 -32.481 1.00 99.37 ? 184 GLU F OE1 1 ATOM 3374 O OE2 . GLU J 1 184 ? -12.735 36.291 -33.114 1.00 129.38 ? 184 GLU F OE2 1 ATOM 3375 N N . TYR J 1 185 ? -13.298 36.320 -27.953 1.00 71.22 ? 185 TYR F N 1 ATOM 3376 C CA . TYR J 1 185 ? -12.582 35.644 -26.873 1.00 66.92 ? 185 TYR F CA 1 ATOM 3377 C C . TYR J 1 185 ? -13.507 35.357 -25.698 1.00 62.73 ? 185 TYR F C 1 ATOM 3378 O O . TYR J 1 185 ? -13.460 34.278 -25.112 1.00 79.30 ? 185 TYR F O 1 ATOM 3379 C CB . TYR J 1 185 ? -11.389 36.480 -26.412 1.00 66.19 ? 185 TYR F CB 1 ATOM 3380 C CG . TYR J 1 185 ? -10.310 36.590 -27.455 1.00 58.25 ? 185 TYR F CG 1 ATOM 3381 C CD1 . TYR J 1 185 ? -10.418 37.499 -28.496 1.00 76.26 ? 185 TYR F CD1 1 ATOM 3382 C CD2 . TYR J 1 185 ? -9.190 35.774 -27.410 1.00 74.56 ? 185 TYR F CD2 1 ATOM 3383 C CE1 . TYR J 1 185 ? -9.438 37.595 -29.464 1.00 84.70 ? 185 TYR F CE1 1 ATOM 3384 C CE2 . TYR J 1 185 ? -8.203 35.863 -28.371 1.00 76.83 ? 185 TYR F CE2 1 ATOM 3385 C CZ . TYR J 1 185 ? -8.332 36.776 -29.395 1.00 92.73 ? 185 TYR F CZ 1 ATOM 3386 O OH . TYR J 1 185 ? -7.352 36.871 -30.357 1.00 106.37 ? 185 TYR F OH 1 ATOM 3387 N N . GLY J 1 186 ? -14.352 36.324 -25.360 1.00 64.02 ? 186 GLY F N 1 ATOM 3388 C CA . GLY J 1 186 ? -15.291 36.163 -24.267 1.00 48.83 ? 186 GLY F CA 1 ATOM 3389 C C . GLY J 1 186 ? -16.306 35.068 -24.535 1.00 68.50 ? 186 GLY F C 1 ATOM 3390 O O . GLY J 1 186 ? -16.786 34.415 -23.609 1.00 78.59 ? 186 GLY F O 1 ATOM 3391 N N . MET J 1 187 ? -16.638 34.874 -25.808 1.00 74.09 ? 187 MET F N 1 ATOM 3392 C CA . MET J 1 187 ? -17.583 33.837 -26.211 1.00 83.88 ? 187 MET F CA 1 ATOM 3393 C C . MET J 1 187 ? -16.945 32.451 -26.169 1.00 84.41 ? 187 MET F C 1 ATOM 3394 O O . MET J 1 187 ? -17.559 31.496 -25.694 1.00 80.29 ? 187 MET F O 1 ATOM 3395 C CB . MET J 1 187 ? -18.137 34.124 -27.612 1.00 64.87 ? 187 MET F CB 1 ATOM 3396 C CG . MET J 1 187 ? -19.206 35.212 -27.634 1.00 71.15 ? 187 MET F CG 1 ATOM 3397 S SD . MET J 1 187 ? -20.068 35.371 -29.213 1.00 99.31 ? 187 MET F SD 1 ATOM 3398 C CE . MET J 1 187 ? -18.697 35.646 -30.334 1.00 88.25 ? 187 MET F CE 1 ATOM 3399 N N . LYS J 1 188 ? -15.717 32.345 -26.673 1.00 72.09 ? 188 LYS F N 1 ATOM 3400 C CA . LYS J 1 188 ? -14.966 31.100 -26.597 1.00 71.76 ? 188 LYS F CA 1 ATOM 3401 C C . LYS J 1 188 ? -14.885 30.629 -25.148 1.00 84.37 ? 188 LYS F C 1 ATOM 3402 O O . LYS J 1 188 ? -15.057 29.447 -24.854 1.00 85.78 ? 188 LYS F O 1 ATOM 3403 C CB . LYS J 1 188 ? -13.561 31.278 -27.178 1.00 85.98 ? 188 LYS F CB 1 ATOM 3404 C CG . LYS J 1 188 ? -12.748 29.994 -27.270 1.00 96.07 ? 188 LYS F CG 1 ATOM 3405 C CD . LYS J 1 188 ? -13.309 29.052 -28.330 1.00 106.92 ? 188 LYS F CD 1 ATOM 3406 C CE . LYS J 1 188 ? -12.438 27.813 -28.494 1.00 106.58 ? 188 LYS F CE 1 ATOM 3407 N NZ . LYS J 1 188 ? -12.907 26.948 -29.615 1.00 110.55 ? 188 LYS F NZ 1 ATOM 3408 N N . ILE J 1 189 ? -14.637 31.570 -24.245 1.00 82.53 ? 189 ILE F N 1 ATOM 3409 C CA . ILE J 1 189 ? -14.535 31.265 -22.826 1.00 72.81 ? 189 ILE F CA 1 ATOM 3410 C C . ILE J 1 189 ? -15.858 30.753 -22.279 1.00 83.81 ? 189 ILE F C 1 ATOM 3411 O O . ILE J 1 189 ? -15.883 29.857 -21.437 1.00 98.09 ? 189 ILE F O 1 ATOM 3412 C CB . ILE J 1 189 ? -14.092 32.495 -22.020 1.00 68.44 ? 189 ILE F CB 1 ATOM 3413 C CG1 . ILE J 1 189 ? -12.602 32.756 -22.246 1.00 72.90 ? 189 ILE F CG1 1 ATOM 3414 C CG2 . ILE J 1 189 ? -14.384 32.297 -20.539 1.00 71.60 ? 189 ILE F CG2 1 ATOM 3415 C CD1 . ILE J 1 189 ? -12.031 33.836 -21.363 1.00 71.91 ? 189 ILE F CD1 1 ATOM 3416 N N . ASP J 1 190 ? -16.955 31.322 -22.765 1.00 91.43 ? 190 ASP F N 1 ATOM 3417 C CA . ASP J 1 190 ? -18.287 30.873 -22.377 1.00 89.62 ? 190 ASP F CA 1 ATOM 3418 C C . ASP J 1 190 ? -18.569 29.475 -22.912 1.00 91.04 ? 190 ASP F C 1 ATOM 3419 O O . ASP J 1 190 ? -19.060 28.610 -22.188 1.00 105.11 ? 190 ASP F O 1 ATOM 3420 C CB . ASP J 1 190 ? -19.352 31.847 -22.883 1.00 89.95 ? 190 ASP F CB 1 ATOM 3421 C CG . ASP J 1 190 ? -19.396 33.127 -22.082 1.00 94.65 ? 190 ASP F CG 1 ATOM 3422 O OD1 . ASP J 1 190 ? -18.424 33.407 -21.350 1.00 97.18 ? 190 ASP F OD1 1 ATOM 3423 O OD2 . ASP J 1 190 ? -20.405 33.857 -22.187 1.00 114.95 ? 190 ASP F OD2 1 ATOM 3424 N N . GLU J 1 191 ? -18.254 29.266 -24.185 1.00 91.78 ? 191 GLU F N 1 ATOM 3425 C CA . GLU J 1 191 ? -18.490 27.988 -24.847 1.00 105.21 ? 191 GLU F CA 1 ATOM 3426 C C . GLU J 1 191 ? -17.755 26.844 -24.155 1.00 105.25 ? 191 GLU F C 1 ATOM 3427 O O . GLU J 1 191 ? -18.246 25.717 -24.108 1.00 111.22 ? 191 GLU F O 1 ATOM 3428 C CB . GLU J 1 191 ? -18.065 28.067 -26.316 1.00 99.35 ? 191 GLU F CB 1 ATOM 3429 C CG . GLU J 1 191 ? -18.003 26.724 -27.025 1.00 107.95 ? 191 GLU F CG 1 ATOM 3430 C CD . GLU J 1 191 ? -17.346 26.818 -28.392 1.00 127.68 ? 191 GLU F CD 1 ATOM 3431 O OE1 . GLU J 1 191 ? -17.118 25.762 -29.020 1.00 131.05 ? 191 GLU F OE1 1 ATOM 3432 O OE2 . GLU J 1 191 ? -17.057 27.950 -28.837 1.00 122.77 ? 191 GLU F OE2 1 ATOM 3433 N N . ILE J 1 192 ? -16.578 27.139 -23.616 1.00 97.60 ? 192 ILE F N 1 ATOM 3434 C CA . ILE J 1 192 ? -15.751 26.110 -23.003 1.00 96.73 ? 192 ILE F CA 1 ATOM 3435 C C . ILE J 1 192 ? -16.061 25.952 -21.519 1.00 101.58 ? 192 ILE F C 1 ATOM 3436 O O . ILE J 1 192 ? -16.035 24.842 -20.991 1.00 107.61 ? 192 ILE F O 1 ATOM 3437 C CB . ILE J 1 192 ? -14.255 26.413 -23.186 1.00 90.90 ? 192 ILE F CB 1 ATOM 3438 C CG1 . ILE J 1 192 ? -13.920 26.510 -24.675 1.00 94.29 ? 192 ILE F CG1 1 ATOM 3439 C CG2 . ILE J 1 192 ? -13.412 25.337 -22.529 1.00 101.14 ? 192 ILE F CG2 1 ATOM 3440 C CD1 . ILE J 1 192 ? -12.452 26.734 -24.960 1.00 99.14 ? 192 ILE F CD1 1 ATOM 3441 N N . THR J 1 193 ? -16.358 27.060 -20.847 1.00 97.22 ? 193 THR F N 1 ATOM 3442 C CA . THR J 1 193 ? -16.723 27.006 -19.437 1.00 96.26 ? 193 THR F CA 1 ATOM 3443 C C . THR J 1 193 ? -18.076 26.329 -19.266 1.00 103.85 ? 193 THR F C 1 ATOM 3444 O O . THR J 1 193 ? -18.430 25.895 -18.171 1.00 109.73 ? 193 THR F O 1 ATOM 3445 C CB . THR J 1 193 ? -16.774 28.405 -18.800 1.00 94.08 ? 193 THR F CB 1 ATOM 3446 O OG1 . THR J 1 193 ? -17.538 29.281 -19.636 1.00 110.31 ? 193 THR F OG1 1 ATOM 3447 C CG2 . THR J 1 193 ? -15.374 28.968 -18.632 1.00 91.42 ? 193 THR F CG2 1 ATOM 3448 N N . LYS J 1 194 ? -18.831 26.245 -20.355 1.00 105.48 ? 194 LYS F N 1 ATOM 3449 C CA . LYS J 1 194 ? -20.124 25.576 -20.331 1.00 119.21 ? 194 LYS F CA 1 ATOM 3450 C C . LYS J 1 194 ? -19.937 24.067 -20.434 1.00 120.85 ? 194 LYS F C 1 ATOM 3451 O O . LYS J 1 194 ? -20.545 23.303 -19.685 1.00 126.11 ? 194 LYS F O 1 ATOM 3452 C CB . LYS J 1 194 ? -21.019 26.085 -21.465 1.00 121.90 ? 194 LYS F CB 1 ATOM 3453 C CG . LYS J 1 194 ? -22.399 25.447 -21.502 1.00 127.22 ? 194 LYS F CG 1 ATOM 3454 C CD . LYS J 1 194 ? -23.308 26.143 -22.503 1.00 133.64 ? 194 LYS F CD 1 ATOM 3455 C CE . LYS J 1 194 ? -23.561 27.591 -22.106 1.00 129.61 ? 194 LYS F CE 1 ATOM 3456 N NZ . LYS J 1 194 ? -24.490 28.275 -23.048 1.00 125.64 ? 194 LYS F NZ 1 ATOM 3457 N N . GLU J 1 195 ? -19.083 23.648 -21.363 1.00 114.54 ? 195 GLU F N 1 ATOM 3458 C CA . GLU J 1 195 ? -18.798 22.232 -21.559 1.00 111.81 ? 195 GLU F CA 1 ATOM 3459 C C . GLU J 1 195 ? -18.037 21.654 -20.370 1.00 111.34 ? 195 GLU F C 1 ATOM 3460 O O . GLU J 1 195 ? -18.115 20.458 -20.099 1.00 123.35 ? 195 GLU F O 1 ATOM 3461 C CB . GLU J 1 195 ? -18.003 22.022 -22.849 1.00 108.58 ? 195 GLU F CB 1 ATOM 3462 C CG . GLU J 1 195 ? -18.686 22.581 -24.088 1.00 122.29 ? 195 GLU F CG 1 ATOM 3463 C CD . GLU J 1 195 ? -17.811 22.503 -25.323 1.00 131.97 ? 195 GLU F CD 1 ATOM 3464 O OE1 . GLU J 1 195 ? -16.818 21.747 -25.300 1.00 140.12 ? 195 GLU F OE1 1 ATOM 3465 O OE2 . GLU J 1 195 ? -18.114 23.200 -26.316 1.00 122.93 ? 195 GLU F OE2 1 ATOM 3466 N N . ASN J 1 196 ? -17.306 22.509 -19.661 1.00 106.32 ? 196 ASN F N 1 ATOM 3467 C CA . ASN J 1 196 ? -16.534 22.075 -18.502 1.00 106.95 ? 196 ASN F CA 1 ATOM 3468 C C . ASN J 1 196 ? -17.377 22.016 -17.233 1.00 112.36 ? 196 ASN F C 1 ATOM 3469 O O . ASN J 1 196 ? -16.948 21.473 -16.216 1.00 115.35 ? 196 ASN F O 1 ATOM 3470 C CB . ASN J 1 196 ? -15.330 22.995 -18.286 1.00 106.38 ? 196 ASN F CB 1 ATOM 3471 C CG . ASN J 1 196 ? -14.234 22.769 -19.312 1.00 111.30 ? 196 ASN F CG 1 ATOM 3472 O OD1 . ASN J 1 196 ? -14.472 22.198 -20.377 1.00 105.76 ? 196 ASN F OD1 1 ATOM 3473 N ND2 . ASN J 1 196 ? -13.025 23.215 -18.994 1.00 108.97 ? 196 ASN F ND2 1 ATOM 3474 N N . LYS J 1 197 ? -18.574 22.587 -17.293 1.00 123.23 ? 197 LYS F N 1 ATOM 3475 C CA . LYS J 1 197 ? -19.534 22.450 -16.206 1.00 121.93 ? 197 LYS F CA 1 ATOM 3476 C C . LYS J 1 197 ? -20.436 21.262 -16.510 1.00 123.14 ? 197 LYS F C 1 ATOM 3477 O O . LYS J 1 197 ? -21.081 20.707 -15.621 1.00 125.73 ? 197 LYS F O 1 ATOM 3478 C CB . LYS J 1 197 ? -20.357 23.728 -16.029 1.00 121.30 ? 197 LYS F CB 1 ATOM 3479 C CG . LYS J 1 197 ? -19.557 24.932 -15.549 1.00 126.73 ? 197 LYS F CG 1 ATOM 3480 C CD . LYS J 1 197 ? -19.108 24.770 -14.103 1.00 131.02 ? 197 LYS F CD 1 ATOM 3481 C CE . LYS J 1 197 ? -18.419 26.030 -13.595 1.00 128.11 ? 197 LYS F CE 1 ATOM 3482 N NZ . LYS J 1 197 ? -18.058 25.934 -12.151 1.00 124.46 ? 197 LYS F NZ 1 ATOM 3483 N N . LYS J 1 198 ? -20.463 20.880 -17.783 1.00 120.76 ? 198 LYS F N 1 ATOM 3484 C CA . LYS J 1 198 ? -21.243 19.741 -18.247 1.00 123.54 ? 198 LYS F CA 1 ATOM 3485 C C . LYS J 1 198 ? -20.556 18.424 -17.907 1.00 134.26 ? 198 LYS F C 1 ATOM 3486 O O . LYS J 1 198 ? -21.171 17.519 -17.343 1.00 137.48 ? 198 LYS F O 1 ATOM 3487 C CB . LYS J 1 198 ? -21.471 19.837 -19.756 1.00 124.65 ? 198 LYS F CB 1 ATOM 3488 C CG . LYS J 1 198 ? -22.119 18.610 -20.375 1.00 128.70 ? 198 LYS F CG 1 ATOM 3489 C CD . LYS J 1 198 ? -22.218 18.752 -21.885 1.00 127.43 ? 198 LYS F CD 1 ATOM 3490 C CE . LYS J 1 198 ? -22.969 20.019 -22.267 1.00 137.50 ? 198 LYS F CE 1 ATOM 3491 N NZ . LYS J 1 198 ? -23.022 20.221 -23.741 1.00 132.77 ? 198 LYS F NZ 1 ATOM 3492 N N . LEU J 1 199 ? -19.278 18.323 -18.260 1.00 128.90 ? 199 LEU F N 1 ATOM 3493 C CA . LEU J 1 199 ? -18.499 17.122 -17.984 1.00 119.91 ? 199 LEU F CA 1 ATOM 3494 C C . LEU J 1 199 ? -18.376 16.886 -16.483 1.00 125.27 ? 199 LEU F C 1 ATOM 3495 O O . LEU J 1 199 ? -18.404 15.747 -16.024 1.00 138.14 ? 199 LEU F O 1 ATOM 3496 C CB . LEU J 1 199 ? -17.112 17.223 -18.621 1.00 114.13 ? 199 LEU F CB 1 ATOM 3497 C CG . LEU J 1 199 ? -17.084 17.382 -20.142 1.00 118.92 ? 199 LEU F CG 1 ATOM 3498 C CD1 . LEU J 1 199 ? -15.655 17.394 -20.663 1.00 110.18 ? 199 LEU F CD1 1 ATOM 3499 C CD2 . LEU J 1 199 ? -17.896 16.286 -20.815 1.00 126.56 ? 199 LEU F CD2 1 ATOM 3500 N N . ALA J 1 200 ? -18.251 17.969 -15.722 1.00 116.95 ? 200 ALA F N 1 ATOM 3501 C CA . ALA J 1 200 ? -18.164 17.875 -14.269 1.00 116.84 ? 200 ALA F CA 1 ATOM 3502 C C . ALA J 1 200 ? -19.461 17.330 -13.676 1.00 121.07 ? 200 ALA F C 1 ATOM 3503 O O . ALA J 1 200 ? -19.531 17.029 -12.484 1.00 118.02 ? 200 ALA F O 1 ATOM 3504 C CB . ALA J 1 200 ? -17.833 19.231 -13.668 1.00 112.68 ? 200 ALA F CB 1 ATOM 3505 N N . ASN J 1 201 ? -20.485 17.211 -14.515 1.00 123.95 ? 201 ASN F N 1 ATOM 3506 C CA . ASN J 1 201 ? -21.760 16.641 -14.099 1.00 133.15 ? 201 ASN F CA 1 ATOM 3507 C C . ASN J 1 201 ? -21.897 15.188 -14.542 1.00 136.87 ? 201 ASN F C 1 ATOM 3508 O O . ASN J 1 201 ? -22.688 14.431 -13.979 1.00 144.30 ? 201 ASN F O 1 ATOM 3509 C CB . ASN J 1 201 ? -22.922 17.471 -14.647 1.00 137.33 ? 201 ASN F CB 1 ATOM 3510 C CG . ASN J 1 201 ? -23.006 18.846 -14.012 1.00 140.81 ? 201 ASN F CG 1 ATOM 3511 O OD1 . ASN J 1 201 ? -22.619 19.034 -12.858 1.00 133.24 ? 201 ASN F OD1 1 ATOM 3512 N ND2 . ASN J 1 201 ? -23.516 19.815 -14.764 1.00 148.59 ? 201 ASN F ND2 1 ATOM 3513 N N . GLU J 1 202 ? -21.126 14.804 -15.555 1.00 134.77 ? 202 GLU F N 1 ATOM 3514 C CA . GLU J 1 202 ? -21.078 13.411 -15.986 1.00 137.99 ? 202 GLU F CA 1 ATOM 3515 C C . GLU J 1 202 ? -20.076 12.638 -15.136 1.00 141.82 ? 202 GLU F C 1 ATOM 3516 O O . GLU J 1 202 ? -20.203 11.427 -14.956 1.00 149.12 ? 202 GLU F O 1 ATOM 3517 C CB . GLU J 1 202 ? -20.715 13.304 -17.468 1.00 135.88 ? 202 GLU F CB 1 ATOM 3518 C CG . GLU J 1 202 ? -21.778 13.846 -18.407 1.00 141.54 ? 202 GLU F CG 1 ATOM 3519 C CD . GLU J 1 202 ? -21.513 13.486 -19.856 1.00 145.56 ? 202 GLU F CD 1 ATOM 3520 O OE1 . GLU J 1 202 ? -20.682 12.586 -20.103 1.00 138.54 ? 202 GLU F OE1 1 ATOM 3521 O OE2 . GLU J 1 202 ? -22.136 14.102 -20.746 1.00 148.27 ? 202 GLU F OE2 1 ATOM 3522 N N . ILE J 1 203 ? -19.077 13.345 -14.618 1.00 139.88 ? 203 ILE F N 1 ATOM 3523 C CA . ILE J 1 203 ? -18.132 12.754 -13.679 1.00 140.77 ? 203 ILE F CA 1 ATOM 3524 C C . ILE J 1 203 ? -18.805 12.558 -12.326 1.00 145.94 ? 203 ILE F C 1 ATOM 3525 O O . ILE J 1 203 ? -18.556 11.572 -11.634 1.00 155.96 ? 203 ILE F O 1 ATOM 3526 C CB . ILE J 1 203 ? -16.872 13.625 -13.505 1.00 131.57 ? 203 ILE F CB 1 ATOM 3527 C CG1 . ILE J 1 203 ? -15.849 13.305 -14.596 1.00 128.08 ? 203 ILE F CG1 1 ATOM 3528 C CG2 . ILE J 1 203 ? -16.251 13.397 -12.136 1.00 129.40 ? 203 ILE F CG2 1 ATOM 3529 C CD1 . ILE J 1 203 ? -16.341 13.576 -15.996 1.00 127.82 ? 203 ILE F CD1 1 ATOM 3530 N N . GLY J 1 204 ? -19.664 13.502 -11.960 1.00 141.49 ? 204 GLY F N 1 ATOM 3531 C CA . GLY J 1 204 ? -20.395 13.420 -10.711 1.00 138.77 ? 204 GLY F CA 1 ATOM 3532 C C . GLY J 1 204 ? -21.429 12.311 -10.724 1.00 148.49 ? 204 GLY F C 1 ATOM 3533 O O . GLY J 1 204 ? -21.733 11.726 -9.685 1.00 150.90 ? 204 GLY F O 1 ATOM 3534 N N . ARG J 1 205 ? -21.968 12.017 -11.904 1.00 152.14 ? 205 ARG F N 1 ATOM 3535 C CA . ARG J 1 205 ? -22.998 10.993 -12.037 1.00 155.83 ? 205 ARG F CA 1 ATOM 3536 C C . ARG J 1 205 ? -22.394 9.593 -12.119 1.00 159.06 ? 205 ARG F C 1 ATOM 3537 O O . ARG J 1 205 ? -22.893 8.657 -11.495 1.00 165.46 ? 205 ARG F O 1 ATOM 3538 C CB . ARG J 1 205 ? -23.870 11.254 -13.269 1.00 151.70 ? 205 ARG F CB 1 ATOM 3539 C CG . ARG J 1 205 ? -23.160 11.027 -14.593 1.00 153.51 ? 205 ARG F CG 1 ATOM 3540 C CD . ARG J 1 205 ? -24.145 10.784 -15.724 1.00 151.83 ? 205 ARG F CD 1 ATOM 3541 N NE . ARG J 1 205 ? -23.468 10.372 -16.951 1.00 156.57 ? 205 ARG F NE 1 ATOM 3542 C CZ . ARG J 1 205 ? -24.093 9.979 -18.056 1.00 157.22 ? 205 ARG F CZ 1 ATOM 3543 N NH1 . ARG J 1 205 ? -25.418 9.938 -18.092 1.00 149.04 ? 205 ARG F NH1 1 ATOM 3544 N NH2 . ARG J 1 205 ? -23.394 9.622 -19.125 1.00 159.92 ? 205 ARG F NH2 1 ATOM 3545 N N . LEU J 1 206 ? -21.319 9.455 -12.890 1.00 153.62 ? 206 LEU F N 1 ATOM 3546 C CA . LEU J 1 206 ? -20.686 8.155 -13.085 1.00 151.83 ? 206 LEU F CA 1 ATOM 3547 C C . LEU J 1 206 ? -19.875 7.736 -11.860 1.00 154.78 ? 206 LEU F C 1 ATOM 3548 O O . LEU J 1 206 ? -19.492 6.574 -11.731 1.00 159.88 ? 206 LEU F O 1 ATOM 3549 C CB . LEU J 1 206 ? -19.794 8.171 -14.330 1.00 145.44 ? 206 LEU F CB 1 ATOM 3550 C CG . LEU J 1 206 ? -20.501 8.353 -15.677 1.00 147.84 ? 206 LEU F CG 1 ATOM 3551 C CD1 . LEU J 1 206 ? -19.530 8.161 -16.836 1.00 132.50 ? 206 LEU F CD1 1 ATOM 3552 C CD2 . LEU J 1 206 ? -21.685 7.406 -15.802 1.00 148.79 ? 206 LEU F CD2 1 ATOM 3553 N N . ARG J 1 207 ? -19.619 8.683 -10.963 1.00 153.89 ? 207 ARG F N 1 ATOM 3554 C CA . ARG J 1 207 ? -18.904 8.385 -9.726 1.00 156.73 ? 207 ARG F CA 1 ATOM 3555 C C . ARG J 1 207 ? -19.852 7.901 -8.634 1.00 164.10 ? 207 ARG F C 1 ATOM 3556 O O . ARG J 1 207 ? -19.422 7.289 -7.656 1.00 161.82 ? 207 ARG F O 1 ATOM 3557 C CB . ARG J 1 207 ? -18.131 9.611 -9.236 1.00 155.52 ? 207 ARG F CB 1 ATOM 3558 C CG . ARG J 1 207 ? -16.794 9.823 -9.925 1.00 156.86 ? 207 ARG F CG 1 ATOM 3559 C CD . ARG J 1 207 ? -16.029 10.972 -9.289 1.00 154.58 ? 207 ARG F CD 1 ATOM 3560 N NE . ARG J 1 207 ? -14.698 11.133 -9.868 1.00 158.67 ? 207 ARG F NE 1 ATOM 3561 C CZ . ARG J 1 207 ? -13.813 12.039 -9.466 1.00 162.50 ? 207 ARG F CZ 1 ATOM 3562 N NH1 . ARG J 1 207 ? -14.116 12.871 -8.479 1.00 165.97 ? 207 ARG F NH1 1 ATOM 3563 N NH2 . ARG J 1 207 ? -12.625 12.115 -10.050 1.00 163.00 ? 207 ARG F NH2 1 ATOM 3564 N N . GLU J 1 208 ? -21.140 8.181 -8.801 1.00 167.70 ? 208 GLU F N 1 ATOM 3565 C CA . GLU J 1 208 ? -22.142 7.743 -7.835 1.00 168.59 ? 208 GLU F CA 1 ATOM 3566 C C . GLU J 1 208 ? -22.838 6.468 -8.299 1.00 168.54 ? 208 GLU F C 1 ATOM 3567 O O . GLU J 1 208 ? -23.522 5.807 -7.516 1.00 169.46 ? 208 GLU F O 1 ATOM 3568 C CB . GLU J 1 208 ? -23.170 8.848 -7.583 1.00 168.88 ? 208 GLU F CB 1 ATOM 3569 C CG . GLU J 1 208 ? -22.609 10.047 -6.833 1.00 170.23 ? 208 GLU F CG 1 ATOM 3570 C CD . GLU J 1 208 ? -23.692 10.996 -6.358 1.00 170.66 ? 208 GLU F CD 1 ATOM 3571 O OE1 . GLU J 1 208 ? -24.871 10.778 -6.707 1.00 171.55 ? 208 GLU F OE1 1 ATOM 3572 O OE2 . GLU J 1 208 ? -23.364 11.957 -5.631 1.00 161.88 ? 208 GLU F OE2 1 ATOM 3573 N N . ARG J 1 209 ? -22.666 6.126 -9.573 1.00 169.22 ? 209 ARG F N 1 ATOM 3574 C CA . ARG J 1 209 ? -23.148 4.849 -10.085 1.00 171.25 ? 209 ARG F CA 1 ATOM 3575 C C . ARG J 1 209 ? -22.060 3.799 -9.889 1.00 167.10 ? 209 ARG F C 1 ATOM 3576 O O . ARG J 1 209 ? -22.262 2.612 -10.150 1.00 161.24 ? 209 ARG F O 1 ATOM 3577 C CB . ARG J 1 209 ? -23.546 4.956 -11.560 1.00 167.81 ? 209 ARG F CB 1 ATOM 3578 C CG . ARG J 1 209 ? -24.333 3.754 -12.073 1.00 164.34 ? 209 ARG F CG 1 ATOM 3579 C CD . ARG J 1 209 ? -24.968 4.021 -13.432 1.00 162.25 ? 209 ARG F CD 1 ATOM 3580 N NE . ARG J 1 209 ? -23.983 4.082 -14.509 1.00 166.40 ? 209 ARG F NE 1 ATOM 3581 C CZ . ARG J 1 209 ? -24.290 4.232 -15.794 1.00 161.98 ? 209 ARG F CZ 1 ATOM 3582 N NH1 . ARG J 1 209 ? -23.329 4.276 -16.707 1.00 156.09 ? 209 ARG F NH1 1 ATOM 3583 N NH2 . ARG J 1 209 ? -25.558 4.338 -16.168 1.00 152.87 ? 209 ARG F NH2 1 ATOM 3584 N N . TRP J 1 210 ? -20.902 4.258 -9.422 1.00 163.31 ? 210 TRP F N 1 ATOM 3585 C CA . TRP J 1 210 ? -19.795 3.377 -9.080 1.00 159.02 ? 210 TRP F CA 1 ATOM 3586 C C . TRP J 1 210 ? -19.846 3.063 -7.589 1.00 157.15 ? 210 TRP F C 1 ATOM 3587 O O . TRP J 1 210 ? -19.360 2.024 -7.140 1.00 158.82 ? 210 TRP F O 1 ATOM 3588 C CB . TRP J 1 210 ? -18.458 4.021 -9.454 1.00 161.16 ? 210 TRP F CB 1 ATOM 3589 C CG . TRP J 1 210 ? -17.337 3.043 -9.647 1.00 160.77 ? 210 TRP F CG 1 ATOM 3590 C CD1 . TRP J 1 210 ? -16.299 2.805 -8.794 1.00 154.69 ? 210 TRP F CD1 1 ATOM 3591 C CD2 . TRP J 1 210 ? -17.146 2.177 -10.768 1.00 158.51 ? 210 TRP F CD2 1 ATOM 3592 N NE1 . TRP J 1 210 ? -15.469 1.841 -9.316 1.00 152.58 ? 210 TRP F NE1 1 ATOM 3593 C CE2 . TRP J 1 210 ? -15.967 1.435 -10.531 1.00 150.69 ? 210 TRP F CE2 1 ATOM 3594 C CE3 . TRP J 1 210 ? -17.850 1.946 -11.954 1.00 155.73 ? 210 TRP F CE3 1 ATOM 3595 C CZ2 . TRP J 1 210 ? -15.483 0.490 -11.428 1.00 145.28 ? 210 TRP F CZ2 1 ATOM 3596 C CZ3 . TRP J 1 210 ? -17.369 1.006 -12.846 1.00 148.04 ? 210 TRP F CZ3 1 ATOM 3597 C CH2 . TRP J 1 210 ? -16.197 0.289 -12.578 1.00 146.06 ? 210 TRP F CH2 1 ATOM 3598 N N . ASP J 1 211 ? -20.443 3.975 -6.827 1.00 153.96 ? 211 ASP F N 1 ATOM 3599 C CA . ASP J 1 211 ? -20.654 3.771 -5.399 1.00 157.21 ? 211 ASP F CA 1 ATOM 3600 C C . ASP J 1 211 ? -21.964 3.029 -5.161 1.00 159.25 ? 211 ASP F C 1 ATOM 3601 O O . ASP J 1 211 ? -22.254 2.600 -4.044 1.00 158.10 ? 211 ASP F O 1 ATOM 3602 C CB . ASP J 1 211 ? -20.659 5.108 -4.655 1.00 157.36 ? 211 ASP F CB 1 ATOM 3603 C CG . ASP J 1 211 ? -19.349 5.859 -4.796 1.00 157.91 ? 211 ASP F CG 1 ATOM 3604 O OD1 . ASP J 1 211 ? -18.292 5.202 -4.902 1.00 153.19 ? 211 ASP F OD1 1 ATOM 3605 O OD2 . ASP J 1 211 ? -19.377 7.108 -4.801 1.00 159.31 ? 211 ASP F OD2 1 ATOM 3606 N N . SER J 1 212 ? -22.755 2.886 -6.221 1.00 159.54 ? 212 SER F N 1 ATOM 3607 C CA . SER J 1 212 ? -24.009 2.145 -6.152 1.00 159.79 ? 212 SER F CA 1 ATOM 3608 C C . SER J 1 212 ? -23.743 0.645 -6.178 1.00 162.71 ? 212 SER F C 1 ATOM 3609 O O . SER J 1 212 ? -24.562 -0.149 -5.716 1.00 164.04 ? 212 SER F O 1 ATOM 3610 C CB . SER J 1 212 ? -24.935 2.539 -7.303 1.00 155.25 ? 212 SER F CB 1 ATOM 3611 O OG . SER J 1 212 ? -25.327 3.896 -7.200 1.00 165.36 ? 212 SER F OG 1 ATOM 3612 N N . LEU J 1 213 ? -22.594 0.266 -6.729 1.00 162.72 ? 213 LEU F N 1 ATOM 3613 C CA . LEU J 1 213 ? -22.173 -1.129 -6.740 1.00 159.52 ? 213 LEU F CA 1 ATOM 3614 C C . LEU J 1 213 ? -21.354 -1.446 -5.492 1.00 163.51 ? 213 LEU F C 1 ATOM 3615 O O . LEU J 1 213 ? -21.125 -2.611 -5.166 1.00 165.35 ? 213 LEU F O 1 ATOM 3616 C CB . LEU J 1 213 ? -21.370 -1.445 -8.004 1.00 146.67 ? 213 LEU F CB 1 ATOM 3617 C CG . LEU J 1 213 ? -22.169 -1.494 -9.308 1.00 141.02 ? 213 LEU F CG 1 ATOM 3618 C CD1 . LEU J 1 213 ? -21.269 -1.825 -10.489 1.00 125.01 ? 213 LEU F CD1 1 ATOM 3619 C CD2 . LEU J 1 213 ? -23.304 -2.499 -9.200 1.00 140.84 ? 213 LEU F CD2 1 ATOM 3620 N N . VAL J 1 214 ? -20.916 -0.399 -4.798 1.00 161.06 ? 214 VAL F N 1 ATOM 3621 C CA . VAL J 1 214 ? -20.214 -0.557 -3.528 1.00 153.64 ? 214 VAL F CA 1 ATOM 3622 C C . VAL J 1 214 ? -21.226 -0.760 -2.405 1.00 156.45 ? 214 VAL F C 1 ATOM 3623 O O . VAL J 1 214 ? -20.909 -1.329 -1.360 1.00 155.53 ? 214 VAL F O 1 ATOM 3624 C CB . VAL J 1 214 ? -19.323 0.661 -3.213 1.00 145.83 ? 214 VAL F CB 1 ATOM 3625 C CG1 . VAL J 1 214 ? -18.615 0.474 -1.879 1.00 131.33 ? 214 VAL F CG1 1 ATOM 3626 C CG2 . VAL J 1 214 ? -18.313 0.879 -4.330 1.00 143.45 ? 214 VAL F CG2 1 ATOM 3627 N N . GLU J 1 215 ? -22.448 -0.290 -2.634 1.00 163.20 ? 215 GLU F N 1 ATOM 3628 C CA . GLU J 1 215 ? -23.542 -0.496 -1.693 1.00 170.32 ? 215 GLU F CA 1 ATOM 3629 C C . GLU J 1 215 ? -24.034 -1.938 -1.756 1.00 169.41 ? 215 GLU F C 1 ATOM 3630 O O . GLU J 1 215 ? -24.481 -2.497 -0.755 1.00 170.11 ? 215 GLU F O 1 ATOM 3631 C CB . GLU J 1 215 ? -24.696 0.468 -1.981 1.00 173.57 ? 215 GLU F CB 1 ATOM 3632 C CG . GLU J 1 215 ? -24.370 1.934 -1.736 1.00 171.67 ? 215 GLU F CG 1 ATOM 3633 C CD . GLU J 1 215 ? -25.540 2.850 -2.045 1.00 165.01 ? 215 GLU F CD 1 ATOM 3634 O OE1 . GLU J 1 215 ? -26.412 2.454 -2.848 1.00 160.05 ? 215 GLU F OE1 1 ATOM 3635 O OE2 . GLU J 1 215 ? -25.592 3.963 -1.481 1.00 161.40 ? 215 GLU F OE2 1 ATOM 3636 N N . SER J 1 216 ? -23.949 -2.534 -2.942 1.00 167.11 ? 216 SER F N 1 ATOM 3637 C CA . SER J 1 216 ? -24.371 -3.915 -3.143 1.00 167.14 ? 216 SER F CA 1 ATOM 3638 C C . SER J 1 216 ? -23.203 -4.879 -2.955 1.00 169.12 ? 216 SER F C 1 ATOM 3639 O O . SER J 1 216 ? -23.287 -6.052 -3.320 1.00 162.65 ? 216 SER F O 1 ATOM 3640 C CB . SER J 1 216 ? -24.983 -4.095 -4.535 1.00 159.27 ? 216 SER F CB 1 ATOM 3641 O OG . SER J 1 216 ? -24.025 -3.847 -5.550 1.00 161.28 ? 216 SER F OG 1 ATOM 3642 N N . ALA J 1 217 ? -22.114 -4.374 -2.384 1.00 167.88 ? 217 ALA F N 1 ATOM 3643 C CA . ALA J 1 217 ? -20.927 -5.184 -2.138 1.00 154.50 ? 217 ALA F CA 1 ATOM 3644 C C . ALA J 1 217 ? -20.716 -5.407 -0.644 1.00 146.20 ? 217 ALA F C 1 ATOM 3645 O O . ALA J 1 217 ? -20.716 -4.459 0.141 1.00 136.44 ? 217 ALA F O 1 ATOM 3646 C CB . ALA J 1 217 ? -19.701 -4.530 -2.755 1.00 140.69 ? 217 ALA F CB 1 ATOM 3647 N N . ASP K 1 121 ? 5.067 42.421 -1.993 1.00 108.86 ? 121 ASP I N 1 ATOM 3648 C CA . ASP K 1 121 ? 4.199 42.778 -0.876 1.00 117.91 ? 121 ASP I CA 1 ATOM 3649 C C . ASP K 1 121 ? 3.903 44.276 -0.887 1.00 111.87 ? 121 ASP I C 1 ATOM 3650 O O . ASP K 1 121 ? 3.433 44.837 0.109 1.00 90.16 ? 121 ASP I O 1 ATOM 3651 C CB . ASP K 1 121 ? 4.834 42.363 0.455 1.00 119.36 ? 121 ASP I CB 1 ATOM 3652 C CG . ASP K 1 121 ? 3.811 42.202 1.567 1.00 119.50 ? 121 ASP I CG 1 ATOM 3653 O OD1 . ASP K 1 121 ? 2.679 41.762 1.273 1.00 118.87 ? 121 ASP I OD1 1 ATOM 3654 O OD2 . ASP K 1 121 ? 4.139 42.513 2.734 1.00 110.40 ? 121 ASP I OD2 1 ATOM 3655 N N . THR K 1 122 ? 4.193 44.918 -2.018 1.00 112.31 ? 122 THR I N 1 ATOM 3656 C CA . THR K 1 122 ? 3.832 46.317 -2.231 1.00 109.64 ? 122 THR I CA 1 ATOM 3657 C C . THR K 1 122 ? 2.363 46.376 -2.619 1.00 101.01 ? 122 THR I C 1 ATOM 3658 O O . THR K 1 122 ? 1.790 47.456 -2.780 1.00 95.03 ? 122 THR I O 1 ATOM 3659 C CB . THR K 1 122 ? 4.687 46.989 -3.330 1.00 111.06 ? 122 THR I CB 1 ATOM 3660 O OG1 . THR K 1 122 ? 4.554 48.414 -3.251 1.00 82.96 ? 122 THR I OG1 1 ATOM 3661 C CG2 . THR K 1 122 ? 4.238 46.530 -4.702 1.00 120.90 ? 122 THR I CG2 1 ATOM 3662 N N . LEU K 1 123 ? 1.771 45.194 -2.780 1.00 91.26 ? 123 LEU I N 1 ATOM 3663 C CA . LEU K 1 123 ? 0.333 45.065 -2.971 1.00 95.82 ? 123 LEU I CA 1 ATOM 3664 C C . LEU K 1 123 ? -0.394 45.773 -1.837 1.00 84.77 ? 123 LEU I C 1 ATOM 3665 O O . LEU K 1 123 ? -1.446 46.381 -2.040 1.00 74.73 ? 123 LEU I O 1 ATOM 3666 C CB . LEU K 1 123 ? -0.074 43.590 -3.031 1.00 95.23 ? 123 LEU I CB 1 ATOM 3667 C CG . LEU K 1 123 ? 0.333 42.812 -4.284 1.00 104.24 ? 123 LEU I CG 1 ATOM 3668 C CD1 . LEU K 1 123 ? 0.481 41.329 -3.974 1.00 107.64 ? 123 LEU I CD1 1 ATOM 3669 C CD2 . LEU K 1 123 ? -0.686 43.028 -5.396 1.00 67.73 ? 123 LEU I CD2 1 ATOM 3670 N N . SER K 1 124 ? 0.197 45.690 -0.648 1.00 76.55 ? 124 SER I N 1 ATOM 3671 C CA . SER K 1 124 ? -0.321 46.333 0.552 1.00 67.09 ? 124 SER I CA 1 ATOM 3672 C C . SER K 1 124 ? -0.396 47.853 0.419 1.00 56.34 ? 124 SER I C 1 ATOM 3673 O O . SER K 1 124 ? 0.600 48.514 0.130 1.00 65.49 ? 124 SER I O 1 ATOM 3674 C CB . SER K 1 124 ? 0.550 45.962 1.758 1.00 64.02 ? 124 SER I CB 1 ATOM 3675 O OG . SER K 1 124 ? 0.480 46.957 2.762 1.00 77.11 ? 124 SER I OG 1 ATOM 3676 N N . PRO K 1 125 ? -1.584 48.410 0.660 1.00 53.60 ? 125 PRO I N 1 ATOM 3677 C CA . PRO K 1 125 ? -1.885 49.843 0.581 1.00 48.73 ? 125 PRO I CA 1 ATOM 3678 C C . PRO K 1 125 ? -0.929 50.744 1.359 1.00 58.83 ? 125 PRO I C 1 ATOM 3679 O O . PRO K 1 125 ? -0.690 51.886 0.951 1.00 57.72 ? 125 PRO I O 1 ATOM 3680 C CB . PRO K 1 125 ? -3.286 49.922 1.171 1.00 49.66 ? 125 PRO I CB 1 ATOM 3681 C CG . PRO K 1 125 ? -3.892 48.605 0.840 1.00 48.48 ? 125 PRO I CG 1 ATOM 3682 C CD . PRO K 1 125 ? -2.784 47.612 0.968 1.00 48.77 ? 125 PRO I CD 1 ATOM 3683 N N . ILE K 1 126 ? -0.393 50.251 2.471 1.00 57.33 ? 126 ILE I N 1 ATOM 3684 C CA . ILE K 1 126 ? 0.497 51.070 3.282 1.00 55.61 ? 126 ILE I CA 1 ATOM 3685 C C . ILE K 1 126 ? 1.776 51.417 2.528 1.00 55.98 ? 126 ILE I C 1 ATOM 3686 O O . ILE K 1 126 ? 2.408 52.434 2.810 1.00 59.88 ? 126 ILE I O 1 ATOM 3687 C CB . ILE K 1 126 ? 0.859 50.376 4.613 1.00 67.00 ? 126 ILE I CB 1 ATOM 3688 C CG1 . ILE K 1 126 ? 1.444 51.391 5.596 1.00 75.32 ? 126 ILE I CG1 1 ATOM 3689 C CG2 . ILE K 1 126 ? 1.824 49.224 4.379 1.00 65.56 ? 126 ILE I CG2 1 ATOM 3690 C CD1 . ILE K 1 126 ? 1.890 50.783 6.910 1.00 76.82 ? 126 ILE I CD1 1 ATOM 3691 N N . ASN K 1 127 ? 2.152 50.581 1.564 1.00 53.90 ? 127 ASN I N 1 ATOM 3692 C CA . ASN K 1 127 ? 3.332 50.853 0.753 1.00 60.88 ? 127 ASN I CA 1 ATOM 3693 C C . ASN K 1 127 ? 3.001 51.210 -0.699 1.00 70.32 ? 127 ASN I C 1 ATOM 3694 O O . ASN K 1 127 ? 3.872 51.152 -1.569 1.00 59.33 ? 127 ASN I O 1 ATOM 3695 C CB . ASN K 1 127 ? 4.272 49.648 0.771 1.00 70.36 ? 127 ASN I CB 1 ATOM 3696 C CG . ASN K 1 127 ? 4.871 49.399 2.134 1.00 84.42 ? 127 ASN I CG 1 ATOM 3697 O OD1 . ASN K 1 127 ? 5.414 50.310 2.768 1.00 75.76 ? 127 ASN I OD1 1 ATOM 3698 N ND2 . ASN K 1 127 ? 4.767 48.159 2.604 1.00 80.54 ? 127 ASN I ND2 1 ATOM 3699 N N . ASP K 1 128 ? 1.750 51.580 -0.957 1.00 59.47 ? 128 ASP I N 1 ATOM 3700 C CA . ASP K 1 128 ? 1.295 51.791 -2.326 1.00 45.30 ? 128 ASP I CA 1 ATOM 3701 C C . ASP K 1 128 ? 1.342 53.260 -2.739 1.00 39.42 ? 128 ASP I C 1 ATOM 3702 O O . ASP K 1 128 ? 0.518 54.061 -2.315 1.00 43.85 ? 128 ASP I O 1 ATOM 3703 C CB . ASP K 1 128 ? -0.115 51.250 -2.497 1.00 46.82 ? 128 ASP I CB 1 ATOM 3704 C CG . ASP K 1 128 ? -0.522 51.156 -3.949 1.00 48.87 ? 128 ASP I CG 1 ATOM 3705 O OD1 . ASP K 1 128 ? 0.035 51.916 -4.771 1.00 61.75 ? 128 ASP I OD1 1 ATOM 3706 O OD2 . ASP K 1 128 ? -1.396 50.322 -4.264 1.00 53.57 ? 128 ASP I OD2 1 ATOM 3707 N N . PRO K 1 129 ? 2.312 53.614 -3.592 1.00 49.13 ? 129 PRO I N 1 ATOM 3708 C CA . PRO K 1 129 ? 2.481 55.007 -4.015 1.00 45.71 ? 129 PRO I CA 1 ATOM 3709 C C . PRO K 1 129 ? 1.213 55.555 -4.667 1.00 35.13 ? 129 PRO I C 1 ATOM 3710 O O . PRO K 1 129 ? 0.961 56.757 -4.594 1.00 39.97 ? 129 PRO I O 1 ATOM 3711 C CB . PRO K 1 129 ? 3.625 54.937 -5.035 1.00 48.64 ? 129 PRO I CB 1 ATOM 3712 C CG . PRO K 1 129 ? 4.295 53.641 -4.786 1.00 52.23 ? 129 PRO I CG 1 ATOM 3713 C CD . PRO K 1 129 ? 3.257 52.707 -4.261 1.00 44.65 ? 129 PRO I CD 1 ATOM 3714 N N . LEU K 1 130 ? 0.430 54.679 -5.294 1.00 30.31 ? 130 LEU I N 1 ATOM 3715 C CA . LEU K 1 130 ? -0.767 55.122 -6.004 1.00 38.60 ? 130 LEU I CA 1 ATOM 3716 C C . LEU K 1 130 ? -1.847 55.614 -5.030 1.00 45.10 ? 130 LEU I C 1 ATOM 3717 O O . LEU K 1 130 ? -2.600 56.527 -5.362 1.00 42.81 ? 130 LEU I O 1 ATOM 3718 C CB . LEU K 1 130 ? -1.316 54.000 -6.885 1.00 31.76 ? 130 LEU I CB 1 ATOM 3719 C CG . LEU K 1 130 ? -0.370 53.628 -8.042 1.00 48.95 ? 130 LEU I CG 1 ATOM 3720 C CD1 . LEU K 1 130 ? -0.971 52.550 -8.918 1.00 39.85 ? 130 LEU I CD1 1 ATOM 3721 C CD2 . LEU K 1 130 ? -0.051 54.850 -8.876 1.00 42.07 ? 130 LEU I CD2 1 ATOM 3722 N N . LEU K 1 131 ? -1.927 55.008 -3.844 1.00 40.05 ? 131 LEU I N 1 ATOM 3723 C CA . LEU K 1 131 ? -2.863 55.477 -2.809 1.00 35.15 ? 131 LEU I CA 1 ATOM 3724 C C . LEU K 1 131 ? -2.446 56.839 -2.278 1.00 30.69 ? 131 LEU I C 1 ATOM 3725 O O . LEU K 1 131 ? -3.243 57.785 -2.278 1.00 35.15 ? 131 LEU I O 1 ATOM 3726 C CB . LEU K 1 131 ? -2.959 54.478 -1.658 1.00 44.84 ? 131 LEU I CB 1 ATOM 3727 C CG . LEU K 1 131 ? -3.992 54.793 -0.561 1.00 37.79 ? 131 LEU I CG 1 ATOM 3728 C CD1 . LEU K 1 131 ? -5.401 55.058 -1.142 1.00 29.67 ? 131 LEU I CD1 1 ATOM 3729 C CD2 . LEU K 1 131 ? -4.037 53.656 0.410 1.00 40.59 ? 131 LEU I CD2 1 ATOM 3730 N N . MET K 1 132 ? -1.194 56.950 -1.845 1.00 34.61 ? 132 MET I N 1 ATOM 3731 C CA . MET K 1 132 ? -0.666 58.234 -1.374 1.00 35.26 ? 132 MET I CA 1 ATOM 3732 C C . MET K 1 132 ? -0.860 59.333 -2.390 1.00 42.57 ? 132 MET I C 1 ATOM 3733 O O . MET K 1 132 ? -1.152 60.474 -2.037 1.00 41.24 ? 132 MET I O 1 ATOM 3734 C CB . MET K 1 132 ? 0.831 58.132 -1.040 1.00 40.53 ? 132 MET I CB 1 ATOM 3735 C CG . MET K 1 132 ? 1.122 57.822 0.417 1.00 67.63 ? 132 MET I CG 1 ATOM 3736 S SD . MET K 1 132 ? 0.027 58.651 1.595 1.00 66.58 ? 132 MET I SD 1 ATOM 3737 C CE . MET K 1 132 ? 0.111 60.364 1.088 1.00 50.61 ? 132 MET I CE 1 ATOM 3738 N N . SER K 1 133 ? -0.688 58.988 -3.662 1.00 35.68 ? 133 SER I N 1 ATOM 3739 C CA . SER K 1 133 ? -0.776 59.976 -4.715 1.00 35.52 ? 133 SER I CA 1 ATOM 3740 C C . SER K 1 133 ? -2.159 60.621 -4.772 1.00 31.06 ? 133 SER I C 1 ATOM 3741 O O . SER K 1 133 ? -2.289 61.849 -4.867 1.00 36.73 ? 133 SER I O 1 ATOM 3742 C CB . SER K 1 133 ? -0.426 59.333 -6.065 1.00 38.74 ? 133 SER I CB 1 ATOM 3743 O OG . SER K 1 133 ? -0.511 60.293 -7.084 1.00 41.23 ? 133 SER I OG 1 ATOM 3744 N N . ILE K 1 134 ? -3.212 59.816 -4.730 1.00 32.56 ? 134 ILE I N 1 ATOM 3745 C CA . ILE K 1 134 ? -4.537 60.436 -4.829 1.00 39.46 ? 134 ILE I CA 1 ATOM 3746 C C . ILE K 1 134 ? -4.920 61.150 -3.523 1.00 41.74 ? 134 ILE I C 1 ATOM 3747 O O . ILE K 1 134 ? -5.701 62.106 -3.558 1.00 35.65 ? 134 ILE I O 1 ATOM 3748 C CB . ILE K 1 134 ? -5.637 59.424 -5.241 1.00 41.10 ? 134 ILE I CB 1 ATOM 3749 C CG1 . ILE K 1 134 ? -5.684 58.214 -4.315 1.00 38.79 ? 134 ILE I CG1 1 ATOM 3750 C CG2 . ILE K 1 134 ? -5.416 58.950 -6.705 1.00 35.22 ? 134 ILE I CG2 1 ATOM 3751 C CD1 . ILE K 1 134 ? -7.052 57.500 -4.333 1.00 33.04 ? 134 ILE I CD1 1 ATOM 3752 N N . LEU K 1 135 ? -4.346 60.728 -2.387 1.00 37.42 ? 135 LEU I N 1 ATOM 3753 C CA . LEU K 1 135 ? -4.576 61.443 -1.111 1.00 36.97 ? 135 LEU I CA 1 ATOM 3754 C C . LEU K 1 135 ? -3.899 62.807 -1.156 1.00 35.70 ? 135 LEU I C 1 ATOM 3755 O O . LEU K 1 135 ? -4.519 63.821 -0.859 1.00 36.11 ? 135 LEU I O 1 ATOM 3756 C CB . LEU K 1 135 ? -4.068 60.635 0.095 1.00 36.90 ? 135 LEU I CB 1 ATOM 3757 C CG . LEU K 1 135 ? -4.874 59.377 0.434 1.00 35.22 ? 135 LEU I CG 1 ATOM 3758 C CD1 . LEU K 1 135 ? -4.197 58.540 1.493 1.00 39.36 ? 135 LEU I CD1 1 ATOM 3759 C CD2 . LEU K 1 135 ? -6.283 59.757 0.859 1.00 43.00 ? 135 LEU I CD2 1 ATOM 3760 N N . ASN K 1 136 ? -2.635 62.839 -1.576 1.00 39.54 ? 136 ASN I N 1 ATOM 3761 C CA . ASN K 1 136 ? -1.921 64.111 -1.762 1.00 41.09 ? 136 ASN I CA 1 ATOM 3762 C C . ASN K 1 136 ? -2.566 65.043 -2.779 1.00 36.07 ? 136 ASN I C 1 ATOM 3763 O O . ASN K 1 136 ? -2.530 66.268 -2.631 1.00 43.76 ? 136 ASN I O 1 ATOM 3764 C CB . ASN K 1 136 ? -0.470 63.844 -2.168 1.00 49.20 ? 136 ASN I CB 1 ATOM 3765 C CG . ASN K 1 136 ? 0.356 63.294 -1.016 1.00 58.29 ? 136 ASN I CG 1 ATOM 3766 O OD1 . ASN K 1 136 ? 0.039 63.538 0.151 1.00 43.28 ? 136 ASN I OD1 1 ATOM 3767 N ND2 . ASN K 1 136 ? 1.394 62.537 -1.332 1.00 45.86 ? 136 ASN I ND2 1 ATOM 3768 N N . ARG K 1 137 ? -3.146 64.452 -3.817 1.00 38.91 ? 137 ARG I N 1 ATOM 3769 C CA . ARG K 1 137 ? -3.833 65.189 -4.867 1.00 46.81 ? 137 ARG I CA 1 ATOM 3770 C C . ARG K 1 137 ? -5.065 65.900 -4.312 1.00 48.41 ? 137 ARG I C 1 ATOM 3771 O O . ARG K 1 137 ? -5.341 67.064 -4.621 1.00 38.96 ? 137 ARG I O 1 ATOM 3772 C CB . ARG K 1 137 ? -4.210 64.216 -5.981 1.00 36.57 ? 137 ARG I CB 1 ATOM 3773 C CG . ARG K 1 137 ? -5.122 64.730 -7.058 1.00 42.22 ? 137 ARG I CG 1 ATOM 3774 C CD . ARG K 1 137 ? -4.815 63.910 -8.300 1.00 45.74 ? 137 ARG I CD 1 ATOM 3775 N NE . ARG K 1 137 ? -5.941 63.168 -8.837 1.00 56.25 ? 137 ARG I NE 1 ATOM 3776 C CZ . ARG K 1 137 ? -5.833 62.009 -9.482 1.00 49.50 ? 137 ARG I CZ 1 ATOM 3777 N NH1 . ARG K 1 137 ? -4.654 61.431 -9.630 1.00 48.75 ? 137 ARG I NH1 1 ATOM 3778 N NH2 . ARG K 1 137 ? -6.911 61.416 -9.962 1.00 51.10 ? 137 ARG I NH2 1 ATOM 3779 N N . LEU K 1 138 ? -5.818 65.188 -3.489 1.00 40.19 ? 138 LEU I N 1 ATOM 3780 C CA . LEU K 1 138 ? -6.912 65.822 -2.778 1.00 43.82 ? 138 LEU I CA 1 ATOM 3781 C C . LEU K 1 138 ? -6.377 67.028 -2.016 1.00 38.72 ? 138 LEU I C 1 ATOM 3782 O O . LEU K 1 138 ? -6.893 68.132 -2.141 1.00 52.21 ? 138 LEU I O 1 ATOM 3783 C CB . LEU K 1 138 ? -7.583 64.835 -1.831 1.00 45.05 ? 138 LEU I CB 1 ATOM 3784 C CG . LEU K 1 138 ? -8.654 65.445 -0.932 1.00 43.36 ? 138 LEU I CG 1 ATOM 3785 C CD1 . LEU K 1 138 ? -9.827 65.901 -1.797 1.00 41.05 ? 138 LEU I CD1 1 ATOM 3786 C CD2 . LEU K 1 138 ? -9.094 64.448 0.135 1.00 29.72 ? 138 LEU I CD2 1 ATOM 3787 N N . GLN K 1 139 ? -5.322 66.819 -1.241 1.00 45.91 ? 139 GLN I N 1 ATOM 3788 C CA . GLN K 1 139 ? -4.731 67.919 -0.498 1.00 46.76 ? 139 GLN I CA 1 ATOM 3789 C C . GLN K 1 139 ? -4.192 69.026 -1.414 1.00 54.45 ? 139 GLN I C 1 ATOM 3790 O O . GLN K 1 139 ? -4.560 70.185 -1.230 1.00 48.94 ? 139 GLN I O 1 ATOM 3791 C CB . GLN K 1 139 ? -3.619 67.411 0.412 1.00 48.72 ? 139 GLN I CB 1 ATOM 3792 C CG . GLN K 1 139 ? -2.990 68.513 1.256 1.00 55.30 ? 139 GLN I CG 1 ATOM 3793 C CD . GLN K 1 139 ? -1.908 68.001 2.185 1.00 61.82 ? 139 GLN I CD 1 ATOM 3794 O OE1 . GLN K 1 139 ? -1.848 66.811 2.495 1.00 59.34 ? 139 GLN I OE1 1 ATOM 3795 N NE2 . GLN K 1 139 ? -1.037 68.901 2.627 1.00 72.46 ? 139 GLN I NE2 1 ATOM 3796 N N . PHE K 1 140 ? -3.328 68.688 -2.380 1.00 44.38 ? 140 PHE I N 1 ATOM 3797 C CA . PHE K 1 140 ? -2.781 69.710 -3.299 1.00 54.21 ? 140 PHE I CA 1 ATOM 3798 C C . PHE K 1 140 ? -3.913 70.451 -3.996 1.00 50.49 ? 140 PHE I C 1 ATOM 3799 O O . PHE K 1 140 ? -3.834 71.662 -4.183 1.00 56.39 ? 140 PHE I O 1 ATOM 3800 C CB . PHE K 1 140 ? -1.831 69.112 -4.359 1.00 44.02 ? 140 PHE I CB 1 ATOM 3801 C CG . PHE K 1 140 ? -0.597 68.463 -3.785 1.00 54.48 ? 140 PHE I CG 1 ATOM 3802 C CD1 . PHE K 1 140 ? -0.029 68.923 -2.601 1.00 56.61 ? 140 PHE I CD1 1 ATOM 3803 C CD2 . PHE K 1 140 ? -0.021 67.377 -4.419 1.00 39.32 ? 140 PHE I CD2 1 ATOM 3804 C CE1 . PHE K 1 140 ? 1.097 68.306 -2.058 1.00 60.21 ? 140 PHE I CE1 1 ATOM 3805 C CE2 . PHE K 1 140 ? 1.104 66.757 -3.879 1.00 52.15 ? 140 PHE I CE2 1 ATOM 3806 C CZ . PHE K 1 140 ? 1.660 67.221 -2.697 1.00 43.17 ? 140 PHE I CZ 1 ATOM 3807 N N . ASN K 1 141 ? -4.971 69.724 -4.352 1.00 62.13 ? 141 ASN I N 1 ATOM 3808 C CA . ASN K 1 141 ? -6.137 70.322 -5.005 1.00 63.56 ? 141 ASN I CA 1 ATOM 3809 C C . ASN K 1 141 ? -6.784 71.387 -4.144 1.00 52.31 ? 141 ASN I C 1 ATOM 3810 O O . ASN K 1 141 ? -7.080 72.483 -4.615 1.00 69.19 ? 141 ASN I O 1 ATOM 3811 C CB . ASN K 1 141 ? -7.177 69.253 -5.360 1.00 61.82 ? 141 ASN I CB 1 ATOM 3812 C CG . ASN K 1 141 ? -7.012 68.711 -6.782 1.00 64.82 ? 141 ASN I CG 1 ATOM 3813 O OD1 . ASN K 1 141 ? -6.104 69.104 -7.504 1.00 55.10 ? 141 ASN I OD1 1 ATOM 3814 N ND2 . ASN K 1 141 ? -7.885 67.786 -7.170 1.00 62.11 ? 141 ASN I ND2 1 ATOM 3815 N N . LEU K 1 142 ? -7.001 71.067 -2.877 1.00 71.36 ? 142 LEU I N 1 ATOM 3816 C CA . LEU K 1 142 ? -7.740 71.963 -1.996 1.00 67.60 ? 142 LEU I CA 1 ATOM 3817 C C . LEU K 1 142 ? -6.950 73.240 -1.720 1.00 67.30 ? 142 LEU I C 1 ATOM 3818 O O . LEU K 1 142 ? -7.521 74.327 -1.621 1.00 60.16 ? 142 LEU I O 1 ATOM 3819 C CB . LEU K 1 142 ? -8.092 71.251 -0.694 1.00 52.76 ? 142 LEU I CB 1 ATOM 3820 C CG . LEU K 1 142 ? -9.170 70.161 -0.795 1.00 65.04 ? 142 LEU I CG 1 ATOM 3821 C CD1 . LEU K 1 142 ? -9.262 69.338 0.492 1.00 45.74 ? 142 LEU I CD1 1 ATOM 3822 C CD2 . LEU K 1 142 ? -10.522 70.767 -1.116 1.00 54.00 ? 142 LEU I CD2 1 ATOM 3823 N N . ASN K 1 143 ? -5.632 73.108 -1.620 1.00 63.44 ? 143 ASN I N 1 ATOM 3824 C CA . ASN K 1 143 ? -4.770 74.260 -1.378 1.00 70.40 ? 143 ASN I CA 1 ATOM 3825 C C . ASN K 1 143 ? -4.584 75.136 -2.622 1.00 65.71 ? 143 ASN I C 1 ATOM 3826 O O . ASN K 1 143 ? -4.533 76.362 -2.519 1.00 73.87 ? 143 ASN I O 1 ATOM 3827 C CB . ASN K 1 143 ? -3.416 73.792 -0.836 1.00 63.88 ? 143 ASN I CB 1 ATOM 3828 C CG . ASN K 1 143 ? -3.539 73.164 0.545 1.00 63.17 ? 143 ASN I CG 1 ATOM 3829 O OD1 . ASN K 1 143 ? -4.525 73.385 1.240 1.00 61.87 ? 143 ASN I OD1 1 ATOM 3830 N ND2 . ASN K 1 143 ? -2.552 72.372 0.936 1.00 69.65 ? 143 ASN I ND2 1 ATOM 3831 N N . ASN K 1 144 ? -4.498 74.521 -3.798 1.00 62.05 ? 144 ASN I N 1 ATOM 3832 C CA . ASN K 1 144 ? -4.429 75.314 -5.022 1.00 68.20 ? 144 ASN I CA 1 ATOM 3833 C C . ASN K 1 144 ? -5.740 76.044 -5.288 1.00 65.24 ? 144 ASN I C 1 ATOM 3834 O O . ASN K 1 144 ? -5.731 77.144 -5.831 1.00 79.53 ? 144 ASN I O 1 ATOM 3835 C CB . ASN K 1 144 ? -4.066 74.452 -6.234 1.00 60.42 ? 144 ASN I CB 1 ATOM 3836 C CG . ASN K 1 144 ? -3.526 75.285 -7.396 1.00 78.70 ? 144 ASN I CG 1 ATOM 3837 O OD1 . ASN K 1 144 ? -2.709 76.190 -7.202 1.00 71.03 ? 144 ASN I OD1 1 ATOM 3838 N ND2 . ASN K 1 144 ? -3.994 74.994 -8.602 1.00 64.77 ? 144 ASN I ND2 1 ATOM 3839 N N . ASP K 1 145 ? -6.862 75.436 -4.902 1.00 62.30 ? 145 ASP I N 1 ATOM 3840 C CA . ASP K 1 145 ? -8.174 76.068 -5.056 1.00 79.50 ? 145 ASP I CA 1 ATOM 3841 C C . ASP K 1 145 ? -8.295 77.349 -4.239 1.00 89.94 ? 145 ASP I C 1 ATOM 3842 O O . ASP K 1 145 ? -9.097 78.227 -4.560 1.00 94.29 ? 145 ASP I O 1 ATOM 3843 C CB . ASP K 1 145 ? -9.298 75.110 -4.652 1.00 75.72 ? 145 ASP I CB 1 ATOM 3844 C CG . ASP K 1 145 ? -9.544 74.025 -5.685 1.00 84.76 ? 145 ASP I CG 1 ATOM 3845 O OD1 . ASP K 1 145 ? -9.173 74.218 -6.862 1.00 82.81 ? 145 ASP I OD1 1 ATOM 3846 O OD2 . ASP K 1 145 ? -10.112 72.976 -5.315 1.00 88.56 ? 145 ASP I OD2 1 ATOM 3847 N N . ILE K 1 146 ? -7.505 77.445 -3.176 1.00 84.02 ? 146 ILE I N 1 ATOM 3848 C CA . ILE K 1 146 ? -7.506 78.633 -2.332 1.00 93.63 ? 146 ILE I CA 1 ATOM 3849 C C . ILE K 1 146 ? -6.542 79.689 -2.860 1.00 91.51 ? 146 ILE I C 1 ATOM 3850 O O . ILE K 1 146 ? -6.820 80.886 -2.788 1.00 109.19 ? 146 ILE I O 1 ATOM 3851 C CB . ILE K 1 146 ? -7.127 78.295 -0.886 1.00 81.82 ? 146 ILE I CB 1 ATOM 3852 C CG1 . ILE K 1 146 ? -8.178 77.372 -0.267 1.00 78.12 ? 146 ILE I CG1 1 ATOM 3853 C CG2 . ILE K 1 146 ? -6.958 79.567 -0.080 1.00 69.62 ? 146 ILE I CG2 1 ATOM 3854 C CD1 . ILE K 1 146 ? -7.751 76.770 1.059 1.00 80.51 ? 146 ILE I CD1 1 ATOM 3855 N N . GLN K 1 147 ? -5.404 79.236 -3.377 1.00 86.35 ? 147 GLN I N 1 ATOM 3856 C CA . GLN K 1 147 ? -4.405 80.131 -3.949 1.00 100.36 ? 147 GLN I CA 1 ATOM 3857 C C . GLN K 1 147 ? -5.034 80.936 -5.081 1.00 112.37 ? 147 GLN I C 1 ATOM 3858 O O . GLN K 1 147 ? -4.780 82.133 -5.232 1.00 121.26 ? 147 GLN I O 1 ATOM 3859 C CB . GLN K 1 147 ? -3.195 79.337 -4.453 1.00 94.34 ? 147 GLN I CB 1 ATOM 3860 C CG . GLN K 1 147 ? -2.039 80.192 -4.954 1.00 111.58 ? 147 GLN I CG 1 ATOM 3861 C CD . GLN K 1 147 ? -0.884 79.360 -5.487 1.00 104.63 ? 147 GLN I CD 1 ATOM 3862 O OE1 . GLN K 1 147 ? -0.994 78.142 -5.633 1.00 85.00 ? 147 GLN I OE1 1 ATOM 3863 N NE2 . GLN K 1 147 ? 0.233 80.019 -5.782 1.00 96.49 ? 147 GLN I NE2 1 ATOM 3864 N N . LEU K 1 148 ? -5.870 80.260 -5.862 1.00 105.47 ? 148 LEU I N 1 ATOM 3865 C CA . LEU K 1 148 ? -6.626 80.891 -6.936 1.00 103.91 ? 148 LEU I CA 1 ATOM 3866 C C . LEU K 1 148 ? -7.753 81.753 -6.373 1.00 116.41 ? 148 LEU I C 1 ATOM 3867 O O . LEU K 1 148 ? -8.441 82.454 -7.117 1.00 114.85 ? 148 LEU I O 1 ATOM 3868 C CB . LEU K 1 148 ? -7.196 79.830 -7.880 1.00 90.60 ? 148 LEU I CB 1 ATOM 3869 C CG . LEU K 1 148 ? -6.252 79.177 -8.892 1.00 100.94 ? 148 LEU I CG 1 ATOM 3870 C CD1 . LEU K 1 148 ? -4.959 78.720 -8.236 1.00 98.91 ? 148 LEU I CD1 1 ATOM 3871 C CD2 . LEU K 1 148 ? -6.945 78.008 -9.581 1.00 85.80 ? 148 LEU I CD2 1 ATOM 3872 N N . LYS K 1 149 ? -7.932 81.687 -5.055 1.00 124.88 ? 149 LYS I N 1 ATOM 3873 C CA . LYS K 1 149 ? -8.994 82.410 -4.360 1.00 113.47 ? 149 LYS I CA 1 ATOM 3874 C C . LYS K 1 149 ? -10.363 81.853 -4.735 1.00 111.19 ? 149 LYS I C 1 ATOM 3875 O O . LYS K 1 149 ? -11.348 82.588 -4.797 1.00 124.54 ? 149 LYS I O 1 ATOM 3876 C CB . LYS K 1 149 ? -8.928 83.907 -4.671 1.00 119.58 ? 149 LYS I CB 1 ATOM 3877 C CG . LYS K 1 149 ? -7.552 84.524 -4.470 1.00 129.10 ? 149 LYS I CG 1 ATOM 3878 C CD . LYS K 1 149 ? -7.523 85.964 -4.952 1.00 140.54 ? 149 LYS I CD 1 ATOM 3879 C CE . LYS K 1 149 ? -6.138 86.571 -4.804 1.00 136.98 ? 149 LYS I CE 1 ATOM 3880 N NZ . LYS K 1 149 ? -6.108 87.988 -5.260 1.00 141.41 ? 149 LYS I NZ 1 ATOM 3881 N N . LYS L 1 157 ? -20.435 79.732 0.169 1.00 123.91 ? 157 LYS J N 1 ATOM 3882 C CA . LYS L 1 157 ? -21.380 78.892 -0.560 1.00 131.26 ? 157 LYS J CA 1 ATOM 3883 C C . LYS L 1 157 ? -20.752 78.336 -1.835 1.00 127.17 ? 157 LYS J C 1 ATOM 3884 O O . LYS L 1 157 ? -20.980 77.183 -2.203 1.00 115.80 ? 157 LYS J O 1 ATOM 3885 C CB . LYS L 1 157 ? -22.648 79.679 -0.897 1.00 137.14 ? 157 LYS J CB 1 ATOM 3886 C CG . LYS L 1 157 ? -23.411 80.184 0.317 1.00 133.24 ? 157 LYS J CG 1 ATOM 3887 C CD . LYS L 1 157 ? -24.702 80.874 -0.095 1.00 141.67 ? 157 LYS J CD 1 ATOM 3888 C CE . LYS L 1 157 ? -25.510 81.307 1.117 1.00 138.03 ? 157 LYS J CE 1 ATOM 3889 N NZ . LYS L 1 157 ? -26.800 81.939 0.724 1.00 146.67 ? 157 LYS J NZ 1 ATOM 3890 N N . ASN L 1 158 ? -19.965 79.168 -2.509 1.00 134.90 ? 158 ASN J N 1 ATOM 3891 C CA . ASN L 1 158 ? -19.251 78.743 -3.705 1.00 135.00 ? 158 ASN J CA 1 ATOM 3892 C C . ASN L 1 158 ? -18.124 77.782 -3.350 1.00 125.32 ? 158 ASN J C 1 ATOM 3893 O O . ASN L 1 158 ? -17.926 76.762 -4.012 1.00 119.29 ? 158 ASN J O 1 ATOM 3894 C CB . ASN L 1 158 ? -18.692 79.953 -4.454 1.00 142.77 ? 158 ASN J CB 1 ATOM 3895 C CG . ASN L 1 158 ? -19.729 81.039 -4.662 1.00 150.25 ? 158 ASN J CG 1 ATOM 3896 O OD1 . ASN L 1 158 ? -20.922 80.759 -4.782 1.00 157.88 ? 158 ASN J OD1 1 ATOM 3897 N ND2 . ASN L 1 158 ? -19.280 82.288 -4.700 1.00 153.41 ? 158 ASN J ND2 1 ATOM 3898 N N . SER L 1 159 ? -17.391 78.118 -2.293 1.00 127.57 ? 159 SER J N 1 ATOM 3899 C CA . SER L 1 159 ? -16.262 77.312 -1.846 1.00 117.10 ? 159 SER J CA 1 ATOM 3900 C C . SER L 1 159 ? -16.709 75.955 -1.309 1.00 98.95 ? 159 SER J C 1 ATOM 3901 O O . SER L 1 159 ? -15.928 75.005 -1.285 1.00 93.11 ? 159 SER J O 1 ATOM 3902 C CB . SER L 1 159 ? -15.462 78.065 -0.780 1.00 118.05 ? 159 SER J CB 1 ATOM 3903 O OG . SER L 1 159 ? -16.304 78.506 0.271 1.00 128.30 ? 159 SER J OG 1 ATOM 3904 N N . GLU L 1 160 ? -17.963 75.866 -0.878 1.00 96.75 ? 160 GLU J N 1 ATOM 3905 C CA . GLU L 1 160 ? -18.505 74.597 -0.409 1.00 90.72 ? 160 GLU J CA 1 ATOM 3906 C C . GLU L 1 160 ? -18.562 73.595 -1.559 1.00 91.36 ? 160 GLU J C 1 ATOM 3907 O O . GLU L 1 160 ? -18.140 72.449 -1.413 1.00 78.65 ? 160 GLU J O 1 ATOM 3908 C CB . GLU L 1 160 ? -19.893 74.789 0.212 1.00 93.30 ? 160 GLU J CB 1 ATOM 3909 C CG . GLU L 1 160 ? -19.895 75.690 1.445 1.00 113.07 ? 160 GLU J CG 1 ATOM 3910 C CD . GLU L 1 160 ? -21.197 75.631 2.229 1.00 119.77 ? 160 GLU J CD 1 ATOM 3911 O OE1 . GLU L 1 160 ? -21.875 74.582 2.185 1.00 121.30 ? 160 GLU J OE1 1 ATOM 3912 O OE2 . GLU L 1 160 ? -21.540 76.634 2.891 1.00 119.60 ? 160 GLU J OE2 1 ATOM 3913 N N . MET L 1 161 ? -19.066 74.042 -2.707 1.00 101.70 ? 161 MET J N 1 ATOM 3914 C CA . MET L 1 161 ? -19.189 73.184 -3.882 1.00 78.86 ? 161 MET J CA 1 ATOM 3915 C C . MET L 1 161 ? -17.826 72.709 -4.378 1.00 68.16 ? 161 MET J C 1 ATOM 3916 O O . MET L 1 161 ? -17.650 71.538 -4.706 1.00 77.96 ? 161 MET J O 1 ATOM 3917 C CB . MET L 1 161 ? -19.933 73.913 -5.005 1.00 111.77 ? 161 MET J CB 1 ATOM 3918 C CG . MET L 1 161 ? -21.428 74.103 -4.758 1.00 109.90 ? 161 MET J CG 1 ATOM 3919 S SD . MET L 1 161 ? -22.295 74.684 -6.233 1.00 138.79 ? 161 MET J SD 1 ATOM 3920 C CE . MET L 1 161 ? -23.992 74.713 -5.652 1.00 107.65 ? 161 MET J CE 1 ATOM 3921 N N . LYS L 1 162 ? -16.862 73.618 -4.435 1.00 68.33 ? 162 LYS J N 1 ATOM 3922 C CA . LYS L 1 162 ? -15.502 73.241 -4.795 1.00 82.74 ? 162 LYS J CA 1 ATOM 3923 C C . LYS L 1 162 ? -14.957 72.165 -3.847 1.00 78.00 ? 162 LYS J C 1 ATOM 3924 O O . LYS L 1 162 ? -14.343 71.194 -4.291 1.00 67.41 ? 162 LYS J O 1 ATOM 3925 C CB . LYS L 1 162 ? -14.586 74.465 -4.791 1.00 95.96 ? 162 LYS J CB 1 ATOM 3926 C CG . LYS L 1 162 ? -13.224 74.220 -5.420 1.00 95.92 ? 162 LYS J CG 1 ATOM 3927 C CD . LYS L 1 162 ? -13.326 74.043 -6.933 1.00 89.42 ? 162 LYS J CD 1 ATOM 3928 C CE . LYS L 1 162 ? -13.765 75.333 -7.613 1.00 111.27 ? 162 LYS J CE 1 ATOM 3929 N NZ . LYS L 1 162 ? -13.782 75.217 -9.103 1.00 105.00 ? 162 LYS J NZ 1 ATOM 3930 N N . ILE L 1 163 ? -15.186 72.336 -2.546 1.00 75.33 ? 163 ILE J N 1 ATOM 3931 C CA . ILE L 1 163 ? -14.756 71.343 -1.565 1.00 52.51 ? 163 ILE J CA 1 ATOM 3932 C C . ILE L 1 163 ? -15.416 69.996 -1.828 1.00 61.09 ? 163 ILE J C 1 ATOM 3933 O O . ILE L 1 163 ? -14.736 68.972 -1.913 1.00 56.51 ? 163 ILE J O 1 ATOM 3934 C CB . ILE L 1 163 ? -15.078 71.774 -0.133 1.00 69.93 ? 163 ILE J CB 1 ATOM 3935 C CG1 . ILE L 1 163 ? -14.104 72.861 0.317 1.00 71.52 ? 163 ILE J CG1 1 ATOM 3936 C CG2 . ILE L 1 163 ? -15.002 70.575 0.801 1.00 59.18 ? 163 ILE J CG2 1 ATOM 3937 C CD1 . ILE L 1 163 ? -14.332 73.327 1.715 1.00 67.45 ? 163 ILE J CD1 1 ATOM 3938 N N . ASN L 1 164 ? -16.739 70.008 -1.968 1.00 45.47 ? 164 ASN J N 1 ATOM 3939 C CA . ASN L 1 164 ? -17.485 68.799 -2.277 1.00 60.81 ? 164 ASN J CA 1 ATOM 3940 C C . ASN L 1 164 ? -16.968 68.127 -3.545 1.00 70.61 ? 164 ASN J C 1 ATOM 3941 O O . ASN L 1 164 ? -16.803 66.905 -3.580 1.00 62.56 ? 164 ASN J O 1 ATOM 3942 C CB . ASN L 1 164 ? -18.975 69.110 -2.431 1.00 52.67 ? 164 ASN J CB 1 ATOM 3943 C CG . ASN L 1 164 ? -19.681 69.293 -1.101 1.00 81.25 ? 164 ASN J CG 1 ATOM 3944 O OD1 . ASN L 1 164 ? -19.049 69.502 -0.060 1.00 76.79 ? 164 ASN J OD1 1 ATOM 3945 N ND2 . ASN L 1 164 ? -21.006 69.211 -1.129 1.00 99.30 ? 164 ASN J ND2 1 ATOM 3946 N N . LEU L 1 165 ? -16.704 68.932 -4.575 1.00 47.00 ? 165 LEU J N 1 ATOM 3947 C CA . LEU L 1 165 ? -16.223 68.420 -5.849 1.00 51.02 ? 165 LEU J CA 1 ATOM 3948 C C . LEU L 1 165 ? -14.928 67.652 -5.668 1.00 59.21 ? 165 LEU J C 1 ATOM 3949 O O . LEU L 1 165 ? -14.741 66.585 -6.260 1.00 55.76 ? 165 LEU J O 1 ATOM 3950 C CB . LEU L 1 165 ? -16.002 69.556 -6.868 1.00 54.17 ? 165 LEU J CB 1 ATOM 3951 C CG . LEU L 1 165 ? -15.445 69.055 -8.215 1.00 77.02 ? 165 LEU J CG 1 ATOM 3952 C CD1 . LEU L 1 165 ? -16.507 68.293 -8.991 1.00 65.21 ? 165 LEU J CD1 1 ATOM 3953 C CD2 . LEU L 1 165 ? -14.836 70.156 -9.087 1.00 63.59 ? 165 LEU J CD2 1 ATOM 3954 N N . ARG L 1 166 ? -14.022 68.199 -4.865 1.00 46.41 ? 166 ARG J N 1 ATOM 3955 C CA . ARG L 1 166 ? -12.731 67.548 -4.691 1.00 61.26 ? 166 ARG J CA 1 ATOM 3956 C C . ARG L 1 166 ? -12.931 66.233 -3.944 1.00 62.64 ? 166 ARG J C 1 ATOM 3957 O O . ARG L 1 166 ? -12.235 65.257 -4.217 1.00 62.11 ? 166 ARG J O 1 ATOM 3958 C CB . ARG L 1 166 ? -11.746 68.451 -3.955 1.00 54.64 ? 166 ARG J CB 1 ATOM 3959 C CG . ARG L 1 166 ? -11.683 69.879 -4.486 1.00 66.76 ? 166 ARG J CG 1 ATOM 3960 C CD . ARG L 1 166 ? -10.711 70.050 -5.653 1.00 73.11 ? 166 ARG J CD 1 ATOM 3961 N NE . ARG L 1 166 ? -11.190 69.460 -6.897 1.00 72.13 ? 166 ARG J NE 1 ATOM 3962 C CZ . ARG L 1 166 ? -10.762 69.814 -8.108 1.00 74.11 ? 166 ARG J CZ 1 ATOM 3963 N NH1 . ARG L 1 166 ? -11.253 69.217 -9.180 1.00 96.15 ? 166 ARG J NH1 1 ATOM 3964 N NH2 . ARG L 1 166 ? -9.852 70.769 -8.253 1.00 65.92 ? 166 ARG J NH2 1 ATOM 3965 N N . LEU L 1 167 ? -13.903 66.203 -3.030 1.00 60.56 ? 167 LEU J N 1 ATOM 3966 C CA . LEU L 1 167 ? -14.199 64.991 -2.267 1.00 55.57 ? 167 LEU J CA 1 ATOM 3967 C C . LEU L 1 167 ? -14.810 63.925 -3.168 1.00 49.87 ? 167 LEU J C 1 ATOM 3968 O O . LEU L 1 167 ? -14.379 62.768 -3.142 1.00 52.77 ? 167 LEU J O 1 ATOM 3969 C CB . LEU L 1 167 ? -15.132 65.297 -1.069 1.00 45.19 ? 167 LEU J CB 1 ATOM 3970 C CG . LEU L 1 167 ? -14.424 66.030 0.073 1.00 50.69 ? 167 LEU J CG 1 ATOM 3971 C CD1 . LEU L 1 167 ? -15.304 66.161 1.306 1.00 65.02 ? 167 LEU J CD1 1 ATOM 3972 C CD2 . LEU L 1 167 ? -13.124 65.325 0.422 1.00 47.87 ? 167 LEU J CD2 1 ATOM 3973 N N . GLU L 1 168 ? -15.798 64.315 -3.973 1.00 51.10 ? 168 GLU J N 1 ATOM 3974 C CA . GLU L 1 168 ? -16.368 63.428 -4.999 1.00 54.02 ? 168 GLU J CA 1 ATOM 3975 C C . GLU L 1 168 ? -15.312 62.862 -5.960 1.00 50.28 ? 168 GLU J C 1 ATOM 3976 O O . GLU L 1 168 ? -15.298 61.667 -6.249 1.00 48.52 ? 168 GLU J O 1 ATOM 3977 C CB . GLU L 1 168 ? -17.443 64.161 -5.803 1.00 51.16 ? 168 GLU J CB 1 ATOM 3978 C CG . GLU L 1 168 ? -18.767 64.289 -5.071 1.00 72.70 ? 168 GLU J CG 1 ATOM 3979 C CD . GLU L 1 168 ? -19.307 62.947 -4.613 1.00 99.19 ? 168 GLU J CD 1 ATOM 3980 O OE1 . GLU L 1 168 ? -19.121 61.952 -5.346 1.00 108.66 ? 168 GLU J OE1 1 ATOM 3981 O OE2 . GLU L 1 168 ? -19.906 62.887 -3.516 1.00 96.78 ? 168 GLU J OE2 1 ATOM 3982 N N . GLN L 1 169 ? -14.430 63.716 -6.463 1.00 46.11 ? 169 GLN J N 1 ATOM 3983 C CA . GLN L 1 169 ? -13.372 63.224 -7.330 1.00 55.28 ? 169 GLN J CA 1 ATOM 3984 C C . GLN L 1 169 ? -12.552 62.212 -6.579 1.00 58.90 ? 169 GLN J C 1 ATOM 3985 O O . GLN L 1 169 ? -12.166 61.184 -7.126 1.00 44.24 ? 169 GLN J O 1 ATOM 3986 C CB . GLN L 1 169 ? -12.474 64.353 -7.821 1.00 58.07 ? 169 GLN J CB 1 ATOM 3987 C CG . GLN L 1 169 ? -13.136 65.246 -8.828 1.00 60.97 ? 169 GLN J CG 1 ATOM 3988 C CD . GLN L 1 169 ? -12.236 66.361 -9.267 1.00 57.32 ? 169 GLN J CD 1 ATOM 3989 O OE1 . GLN L 1 169 ? -11.388 66.823 -8.503 1.00 52.09 ? 169 GLN J OE1 1 ATOM 3990 N NE2 . GLN L 1 169 ? -12.403 66.802 -10.509 1.00 65.96 ? 169 GLN J NE2 1 ATOM 3991 N N . PHE L 1 170 ? -12.300 62.489 -5.306 1.00 50.90 ? 170 PHE J N 1 ATOM 3992 C CA . PHE L 1 170 ? -11.459 61.582 -4.554 1.00 45.78 ? 170 PHE J CA 1 ATOM 3993 C C . PHE L 1 170 ? -12.172 60.254 -4.309 1.00 37.72 ? 170 PHE J C 1 ATOM 3994 O O . PHE L 1 170 ? -11.542 59.203 -4.409 1.00 44.12 ? 170 PHE J O 1 ATOM 3995 C CB . PHE L 1 170 ? -11.006 62.187 -3.224 1.00 46.84 ? 170 PHE J CB 1 ATOM 3996 C CG . PHE L 1 170 ? -10.358 61.183 -2.329 1.00 45.01 ? 170 PHE J CG 1 ATOM 3997 C CD1 . PHE L 1 170 ? -9.051 60.800 -2.541 1.00 40.40 ? 170 PHE J CD1 1 ATOM 3998 C CD2 . PHE L 1 170 ? -11.075 60.579 -1.310 1.00 38.41 ? 170 PHE J CD2 1 ATOM 3999 C CE1 . PHE L 1 170 ? -8.451 59.849 -1.742 1.00 44.04 ? 170 PHE J CE1 1 ATOM 4000 C CE2 . PHE L 1 170 ? -10.477 59.632 -0.505 1.00 35.80 ? 170 PHE J CE2 1 ATOM 4001 C CZ . PHE L 1 170 ? -9.164 59.265 -0.721 1.00 45.50 ? 170 PHE J CZ 1 ATOM 4002 N N . LYS L 1 171 ? -13.468 60.299 -3.991 1.00 31.12 ? 171 LYS J N 1 ATOM 4003 C CA . LYS L 1 171 ? -14.231 59.073 -3.781 1.00 44.08 ? 171 LYS J CA 1 ATOM 4004 C C . LYS L 1 171 ? -14.152 58.152 -4.992 1.00 53.96 ? 171 LYS J C 1 ATOM 4005 O O . LYS L 1 171 ? -13.866 56.956 -4.865 1.00 52.46 ? 171 LYS J O 1 ATOM 4006 C CB . LYS L 1 171 ? -15.698 59.385 -3.484 1.00 39.50 ? 171 LYS J CB 1 ATOM 4007 C CG . LYS L 1 171 ? -15.970 60.050 -2.138 1.00 62.61 ? 171 LYS J CG 1 ATOM 4008 C CD . LYS L 1 171 ? -17.470 60.275 -1.959 1.00 72.66 ? 171 LYS J CD 1 ATOM 4009 C CE . LYS L 1 171 ? -17.795 61.015 -0.661 1.00 57.11 ? 171 LYS J CE 1 ATOM 4010 N NZ . LYS L 1 171 ? -19.259 61.231 -0.499 1.00 64.91 ? 171 LYS J NZ 1 ATOM 4011 N N . LYS L 1 172 ? -14.423 58.723 -6.163 1.00 60.62 ? 172 LYS J N 1 ATOM 4012 C CA . LYS L 1 172 ? -14.389 57.995 -7.431 1.00 38.04 ? 172 LYS J CA 1 ATOM 4013 C C . LYS L 1 172 ? -13.023 57.360 -7.621 1.00 47.28 ? 172 LYS J C 1 ATOM 4014 O O . LYS L 1 172 ? -12.909 56.172 -7.908 1.00 43.96 ? 172 LYS J O 1 ATOM 4015 C CB . LYS L 1 172 ? -14.721 58.946 -8.588 1.00 48.46 ? 172 LYS J CB 1 ATOM 4016 C CG . LYS L 1 172 ? -14.683 58.317 -9.977 1.00 88.95 ? 172 LYS J CG 1 ATOM 4017 C CD . LYS L 1 172 ? -14.841 59.377 -11.067 1.00 76.78 ? 172 LYS J CD 1 ATOM 4018 C CE . LYS L 1 172 ? -15.306 58.766 -12.378 1.00 78.41 ? 172 LYS J CE 1 ATOM 4019 N NZ . LYS L 1 172 ? -15.420 59.790 -13.459 1.00 90.60 ? 172 LYS J NZ 1 ATOM 4020 N N . GLU L 1 173 ? -11.978 58.153 -7.430 1.00 38.52 ? 173 GLU J N 1 ATOM 4021 C CA . GLU L 1 173 ? -10.633 57.631 -7.515 1.00 42.85 ? 173 GLU J CA 1 ATOM 4022 C C . GLU L 1 173 ? -10.387 56.521 -6.498 1.00 48.69 ? 173 GLU J C 1 ATOM 4023 O O . GLU L 1 173 ? -9.627 55.588 -6.772 1.00 50.75 ? 173 GLU J O 1 ATOM 4024 C CB . GLU L 1 173 ? -9.622 58.762 -7.324 1.00 45.38 ? 173 GLU J CB 1 ATOM 4025 C CG . GLU L 1 173 ? -9.727 59.864 -8.383 1.00 51.06 ? 173 GLU J CG 1 ATOM 4026 C CD . GLU L 1 173 ? -9.056 61.154 -7.950 1.00 62.13 ? 173 GLU J CD 1 ATOM 4027 O OE1 . GLU L 1 173 ? -8.296 61.121 -6.965 1.00 55.13 ? 173 GLU J OE1 1 ATOM 4028 O OE2 . GLU L 1 173 ? -9.278 62.202 -8.594 1.00 59.16 ? 173 GLU J OE2 1 ATOM 4029 N N . LEU L 1 174 ? -11.032 56.616 -5.332 1.00 44.19 ? 174 LEU J N 1 ATOM 4030 C CA . LEU L 1 174 ? -10.796 55.660 -4.240 1.00 45.46 ? 174 LEU J CA 1 ATOM 4031 C C . LEU L 1 174 ? -11.423 54.325 -4.597 1.00 33.50 ? 174 LEU J C 1 ATOM 4032 O O . LEU L 1 174 ? -10.794 53.280 -4.482 1.00 41.46 ? 174 LEU J O 1 ATOM 4033 C CB . LEU L 1 174 ? -11.381 56.164 -2.908 1.00 40.76 ? 174 LEU J CB 1 ATOM 4034 C CG . LEU L 1 174 ? -10.627 55.891 -1.603 1.00 49.74 ? 174 LEU J CG 1 ATOM 4035 C CD1 . LEU L 1 174 ? -11.596 55.786 -0.416 1.00 41.54 ? 174 LEU J CD1 1 ATOM 4036 C CD2 . LEU L 1 174 ? -9.736 54.675 -1.685 1.00 31.56 ? 174 LEU J CD2 1 ATOM 4037 N N . VAL L 1 175 ? -12.678 54.369 -5.017 1.00 34.33 ? 175 VAL J N 1 ATOM 4038 C CA . VAL L 1 175 ? -13.365 53.170 -5.490 1.00 50.43 ? 175 VAL J CA 1 ATOM 4039 C C . VAL L 1 175 ? -12.573 52.451 -6.586 1.00 55.50 ? 175 VAL J C 1 ATOM 4040 O O . VAL L 1 175 ? -12.501 51.222 -6.585 1.00 53.62 ? 175 VAL J O 1 ATOM 4041 C CB . VAL L 1 175 ? -14.768 53.505 -6.019 1.00 56.12 ? 175 VAL J CB 1 ATOM 4042 C CG1 . VAL L 1 175 ? -15.350 52.329 -6.798 1.00 47.12 ? 175 VAL J CG1 1 ATOM 4043 C CG2 . VAL L 1 175 ? -15.673 53.877 -4.871 1.00 44.28 ? 175 VAL J CG2 1 ATOM 4044 N N . LEU L 1 176 ? -11.972 53.218 -7.499 1.00 50.12 ? 176 LEU J N 1 ATOM 4045 C CA . LEU L 1 176 ? -11.163 52.655 -8.587 1.00 58.85 ? 176 LEU J CA 1 ATOM 4046 C C . LEU L 1 176 ? -9.910 51.987 -8.073 1.00 49.72 ? 176 LEU J C 1 ATOM 4047 O O . LEU L 1 176 ? -9.553 50.891 -8.511 1.00 46.66 ? 176 LEU J O 1 ATOM 4048 C CB . LEU L 1 176 ? -10.746 53.737 -9.592 1.00 47.37 ? 176 LEU J CB 1 ATOM 4049 C CG . LEU L 1 176 ? -11.665 54.012 -10.772 1.00 58.06 ? 176 LEU J CG 1 ATOM 4050 C CD1 . LEU L 1 176 ? -11.106 55.190 -11.539 1.00 47.46 ? 176 LEU J CD1 1 ATOM 4051 C CD2 . LEU L 1 176 ? -11.756 52.774 -11.645 1.00 47.06 ? 176 LEU J CD2 1 ATOM 4052 N N . TYR L 1 177 ? -9.211 52.682 -7.179 1.00 47.77 ? 177 TYR J N 1 ATOM 4053 C CA . TYR L 1 177 ? -8.005 52.133 -6.577 1.00 41.32 ? 177 TYR J CA 1 ATOM 4054 C C . TYR L 1 177 ? -8.361 50.779 -5.965 1.00 38.62 ? 177 TYR J C 1 ATOM 4055 O O . TYR L 1 177 ? -7.648 49.799 -6.172 1.00 44.08 ? 177 TYR J O 1 ATOM 4056 C CB . TYR L 1 177 ? -7.415 53.094 -5.532 1.00 43.43 ? 177 TYR J CB 1 ATOM 4057 C CG . TYR L 1 177 ? -6.378 52.445 -4.647 1.00 44.09 ? 177 TYR J CG 1 ATOM 4058 C CD1 . TYR L 1 177 ? -5.046 52.428 -5.011 1.00 35.31 ? 177 TYR J CD1 1 ATOM 4059 C CD2 . TYR L 1 177 ? -6.738 51.833 -3.453 1.00 39.57 ? 177 TYR J CD2 1 ATOM 4060 C CE1 . TYR L 1 177 ? -4.103 51.822 -4.229 1.00 47.91 ? 177 TYR J CE1 1 ATOM 4061 C CE2 . TYR L 1 177 ? -5.797 51.220 -2.661 1.00 44.00 ? 177 TYR J CE2 1 ATOM 4062 C CZ . TYR L 1 177 ? -4.479 51.220 -3.053 1.00 38.04 ? 177 TYR J CZ 1 ATOM 4063 O OH . TYR L 1 177 ? -3.518 50.618 -2.270 1.00 52.34 ? 177 TYR J OH 1 ATOM 4064 N N . GLU L 1 178 ? -9.498 50.721 -5.267 1.00 42.82 ? 178 GLU J N 1 ATOM 4065 C CA . GLU L 1 178 ? -9.926 49.513 -4.544 1.00 52.50 ? 178 GLU J CA 1 ATOM 4066 C C . GLU L 1 178 ? -10.252 48.370 -5.496 1.00 53.16 ? 178 GLU J C 1 ATOM 4067 O O . GLU L 1 178 ? -9.786 47.237 -5.324 1.00 48.69 ? 178 GLU J O 1 ATOM 4068 C CB . GLU L 1 178 ? -11.155 49.810 -3.648 1.00 43.41 ? 178 GLU J CB 1 ATOM 4069 C CG . GLU L 1 178 ? -10.810 50.541 -2.345 1.00 44.47 ? 178 GLU J CG 1 ATOM 4070 C CD . GLU L 1 178 ? -12.010 50.714 -1.408 1.00 66.82 ? 178 GLU J CD 1 ATOM 4071 O OE1 . GLU L 1 178 ? -13.152 50.328 -1.757 1.00 48.40 ? 178 GLU J OE1 1 ATOM 4072 O OE2 . GLU L 1 178 ? -11.807 51.254 -0.307 1.00 50.13 ? 178 GLU J OE2 1 ATOM 4073 N N . GLN L 1 179 ? -11.068 48.666 -6.498 1.00 48.17 ? 179 GLN J N 1 ATOM 4074 C CA . GLN L 1 179 ? -11.424 47.665 -7.497 1.00 45.02 ? 179 GLN J CA 1 ATOM 4075 C C . GLN L 1 179 ? -10.195 47.125 -8.230 1.00 44.46 ? 179 GLN J C 1 ATOM 4076 O O . GLN L 1 179 ? -10.095 45.923 -8.470 1.00 46.52 ? 179 GLN J O 1 ATOM 4077 C CB . GLN L 1 179 ? -12.424 48.248 -8.478 1.00 42.66 ? 179 GLN J CB 1 ATOM 4078 C CG . GLN L 1 179 ? -13.834 48.346 -7.915 1.00 48.41 ? 179 GLN J CG 1 ATOM 4079 C CD . GLN L 1 179 ? -14.737 49.217 -8.772 1.00 79.30 ? 179 GLN J CD 1 ATOM 4080 O OE1 . GLN L 1 179 ? -14.261 50.040 -9.554 1.00 63.93 ? 179 GLN J OE1 1 ATOM 4081 N NE2 . GLN L 1 179 ? -16.047 49.038 -8.629 1.00 78.63 ? 179 GLN J NE2 1 ATOM 4082 N N . LYS L 1 180 ? -9.243 47.997 -8.543 1.00 39.54 ? 180 LYS J N 1 ATOM 4083 C CA . LYS L 1 180 ? -7.995 47.554 -9.163 1.00 39.99 ? 180 LYS J CA 1 ATOM 4084 C C . LYS L 1 180 ? -7.211 46.650 -8.233 1.00 50.32 ? 180 LYS J C 1 ATOM 4085 O O . LYS L 1 180 ? -6.583 45.682 -8.663 1.00 47.86 ? 180 LYS J O 1 ATOM 4086 C CB . LYS L 1 180 ? -7.125 48.748 -9.553 1.00 36.92 ? 180 LYS J CB 1 ATOM 4087 C CG . LYS L 1 180 ? -7.401 49.310 -10.923 1.00 55.49 ? 180 LYS J CG 1 ATOM 4088 C CD . LYS L 1 180 ? -6.812 50.704 -11.061 1.00 47.62 ? 180 LYS J CD 1 ATOM 4089 C CE . LYS L 1 180 ? -5.314 50.678 -11.060 1.00 46.22 ? 180 LYS J CE 1 ATOM 4090 N NZ . LYS L 1 180 ? -4.730 51.989 -11.501 1.00 47.69 ? 180 LYS J NZ 1 ATOM 4091 N N . LYS L 1 181 ? -7.238 46.994 -6.951 1.00 55.01 ? 181 LYS J N 1 ATOM 4092 C CA . LYS L 1 181 ? -6.448 46.294 -5.945 1.00 48.74 ? 181 LYS J CA 1 ATOM 4093 C C . LYS L 1 181 ? -6.983 44.885 -5.718 1.00 42.14 ? 181 LYS J C 1 ATOM 4094 O O . LYS L 1 181 ? -6.222 43.920 -5.684 1.00 49.30 ? 181 LYS J O 1 ATOM 4095 C CB . LYS L 1 181 ? -6.443 47.079 -4.634 1.00 50.78 ? 181 LYS J CB 1 ATOM 4096 C CG . LYS L 1 181 ? -5.546 46.476 -3.585 1.00 51.31 ? 181 LYS J CG 1 ATOM 4097 C CD . LYS L 1 181 ? -4.090 46.497 -4.019 1.00 46.81 ? 181 LYS J CD 1 ATOM 4098 C CE . LYS L 1 181 ? -3.550 47.908 -4.063 1.00 53.30 ? 181 LYS J CE 1 ATOM 4099 N NZ . LYS L 1 181 ? -2.105 47.935 -4.433 1.00 66.65 ? 181 LYS J NZ 1 ATOM 4100 N N . PHE L 1 182 ? -8.298 44.782 -5.556 1.00 36.59 ? 182 PHE J N 1 ATOM 4101 C CA . PHE L 1 182 ? -8.968 43.487 -5.543 1.00 53.06 ? 182 PHE J CA 1 ATOM 4102 C C . PHE L 1 182 ? -8.561 42.616 -6.728 1.00 56.83 ? 182 PHE J C 1 ATOM 4103 O O . PHE L 1 182 ? -8.346 41.415 -6.584 1.00 58.76 ? 182 PHE J O 1 ATOM 4104 C CB . PHE L 1 182 ? -10.480 43.677 -5.551 1.00 41.71 ? 182 PHE J CB 1 ATOM 4105 C CG . PHE L 1 182 ? -11.077 43.908 -4.190 1.00 59.30 ? 182 PHE J CG 1 ATOM 4106 C CD1 . PHE L 1 182 ? -10.730 43.099 -3.118 1.00 66.79 ? 182 PHE J CD1 1 ATOM 4107 C CD2 . PHE L 1 182 ? -11.990 44.934 -3.982 1.00 60.50 ? 182 PHE J CD2 1 ATOM 4108 C CE1 . PHE L 1 182 ? -11.289 43.311 -1.855 1.00 78.26 ? 182 PHE J CE1 1 ATOM 4109 C CE2 . PHE L 1 182 ? -12.550 45.151 -2.728 1.00 61.26 ? 182 PHE J CE2 1 ATOM 4110 C CZ . PHE L 1 182 ? -12.200 44.339 -1.665 1.00 60.81 ? 182 PHE J CZ 1 ATOM 4111 N N . LYS L 1 183 ? -8.462 43.226 -7.904 1.00 61.21 ? 183 LYS J N 1 ATOM 4112 C CA . LYS L 1 183 ? -8.090 42.485 -9.104 1.00 47.79 ? 183 LYS J CA 1 ATOM 4113 C C . LYS L 1 183 ? -6.635 42.053 -9.059 1.00 43.16 ? 183 LYS J C 1 ATOM 4114 O O . LYS L 1 183 ? -6.310 40.948 -9.478 1.00 58.38 ? 183 LYS J O 1 ATOM 4115 C CB . LYS L 1 183 ? -8.351 43.321 -10.362 1.00 51.93 ? 183 LYS J CB 1 ATOM 4116 C CG . LYS L 1 183 ? -7.921 42.638 -11.667 1.00 59.66 ? 183 LYS J CG 1 ATOM 4117 C CD . LYS L 1 183 ? -8.163 43.544 -12.877 1.00 57.68 ? 183 LYS J CD 1 ATOM 4118 C CE . LYS L 1 183 ? -7.753 42.865 -14.169 1.00 73.35 ? 183 LYS J CE 1 ATOM 4119 N NZ . LYS L 1 183 ? -7.682 43.840 -15.286 1.00 61.98 ? 183 LYS J NZ 1 ATOM 4120 N N . GLU L 1 184 ? -5.751 42.916 -8.561 1.00 48.62 ? 184 GLU J N 1 ATOM 4121 C CA . GLU L 1 184 ? -4.337 42.556 -8.477 1.00 54.28 ? 184 GLU J CA 1 ATOM 4122 C C . GLU L 1 184 ? -4.118 41.422 -7.475 1.00 59.75 ? 184 GLU J C 1 ATOM 4123 O O . GLU L 1 184 ? -3.277 40.554 -7.698 1.00 59.09 ? 184 GLU J O 1 ATOM 4124 C CB . GLU L 1 184 ? -3.479 43.761 -8.092 1.00 49.68 ? 184 GLU J CB 1 ATOM 4125 C CG . GLU L 1 184 ? -3.657 44.973 -8.987 1.00 67.06 ? 184 GLU J CG 1 ATOM 4126 C CD . GLU L 1 184 ? -3.053 46.228 -8.377 1.00 83.44 ? 184 GLU J CD 1 ATOM 4127 O OE1 . GLU L 1 184 ? -2.508 46.135 -7.257 1.00 77.33 ? 184 GLU J OE1 1 ATOM 4128 O OE2 . GLU L 1 184 ? -3.126 47.306 -9.008 1.00 82.26 ? 184 GLU J OE2 1 ATOM 4129 N N . TYR L 1 185 ? -4.869 41.438 -6.374 1.00 63.13 ? 185 TYR J N 1 ATOM 4130 C CA . TYR L 1 185 ? -4.822 40.355 -5.387 1.00 61.44 ? 185 TYR J CA 1 ATOM 4131 C C . TYR L 1 185 ? -5.456 39.080 -5.930 1.00 57.42 ? 185 TYR J C 1 ATOM 4132 O O . TYR L 1 185 ? -4.968 37.981 -5.678 1.00 59.11 ? 185 TYR J O 1 ATOM 4133 C CB . TYR L 1 185 ? -5.532 40.758 -4.085 1.00 55.82 ? 185 TYR J CB 1 ATOM 4134 C CG . TYR L 1 185 ? -4.683 41.568 -3.134 1.00 51.51 ? 185 TYR J CG 1 ATOM 4135 C CD1 . TYR L 1 185 ? -3.557 41.016 -2.535 1.00 65.23 ? 185 TYR J CD1 1 ATOM 4136 C CD2 . TYR L 1 185 ? -5.016 42.879 -2.819 1.00 55.40 ? 185 TYR J CD2 1 ATOM 4137 C CE1 . TYR L 1 185 ? -2.778 41.751 -1.657 1.00 70.98 ? 185 TYR J CE1 1 ATOM 4138 C CE2 . TYR L 1 185 ? -4.240 43.625 -1.944 1.00 68.45 ? 185 TYR J CE2 1 ATOM 4139 C CZ . TYR L 1 185 ? -3.125 43.053 -1.364 1.00 69.92 ? 185 TYR J CZ 1 ATOM 4140 O OH . TYR L 1 185 ? -2.353 43.786 -0.493 1.00 69.37 ? 185 TYR J OH 1 ATOM 4141 N N . GLY L 1 186 ? -6.554 39.227 -6.664 1.00 55.35 ? 186 GLY J N 1 ATOM 4142 C CA . GLY L 1 186 ? -7.220 38.081 -7.252 1.00 53.75 ? 186 GLY J CA 1 ATOM 4143 C C . GLY L 1 186 ? -6.294 37.309 -8.173 1.00 60.18 ? 186 GLY J C 1 ATOM 4144 O O . GLY L 1 186 ? -6.236 36.082 -8.129 1.00 71.55 ? 186 GLY J O 1 ATOM 4145 N N . MET L 1 187 ? -5.554 38.036 -9.002 1.00 59.55 ? 187 MET J N 1 ATOM 4146 C CA . MET L 1 187 ? -4.706 37.418 -10.012 1.00 67.47 ? 187 MET J CA 1 ATOM 4147 C C . MET L 1 187 ? -3.467 36.791 -9.394 1.00 70.68 ? 187 MET J C 1 ATOM 4148 O O . MET L 1 187 ? -3.058 35.697 -9.780 1.00 77.77 ? 187 MET J O 1 ATOM 4149 C CB . MET L 1 187 ? -4.305 38.446 -11.075 1.00 54.53 ? 187 MET J CB 1 ATOM 4150 C CG . MET L 1 187 ? -5.464 38.893 -11.961 1.00 72.38 ? 187 MET J CG 1 ATOM 4151 S SD . MET L 1 187 ? -4.976 39.890 -13.384 1.00 97.44 ? 187 MET J SD 1 ATOM 4152 C CE . MET L 1 187 ? -4.136 41.256 -12.583 1.00 80.91 ? 187 MET J CE 1 ATOM 4153 N N . LYS L 1 188 ? -2.868 37.487 -8.437 1.00 71.73 ? 188 LYS J N 1 ATOM 4154 C CA . LYS L 1 188 ? -1.673 36.983 -7.775 1.00 62.91 ? 188 LYS J CA 1 ATOM 4155 C C . LYS L 1 188 ? -1.985 35.688 -7.030 1.00 68.54 ? 188 LYS J C 1 ATOM 4156 O O . LYS L 1 188 ? -1.215 34.734 -7.066 1.00 71.90 ? 188 LYS J O 1 ATOM 4157 C CB . LYS L 1 188 ? -1.108 38.030 -6.817 1.00 70.02 ? 188 LYS J CB 1 ATOM 4158 C CG . LYS L 1 188 ? 0.217 37.638 -6.192 1.00 86.35 ? 188 LYS J CG 1 ATOM 4159 C CD . LYS L 1 188 ? 1.248 37.325 -7.265 1.00 105.79 ? 188 LYS J CD 1 ATOM 4160 C CE . LYS L 1 188 ? 2.593 36.962 -6.657 1.00 113.57 ? 188 LYS J CE 1 ATOM 4161 N NZ . LYS L 1 188 ? 3.603 36.633 -7.703 1.00 111.02 ? 188 LYS J NZ 1 ATOM 4162 N N . ILE L 1 189 ? -3.129 35.662 -6.360 1.00 65.06 ? 189 ILE J N 1 ATOM 4163 C CA . ILE L 1 189 ? -3.544 34.488 -5.611 1.00 75.13 ? 189 ILE J CA 1 ATOM 4164 C C . ILE L 1 189 ? -3.831 33.312 -6.542 1.00 79.47 ? 189 ILE J C 1 ATOM 4165 O O . ILE L 1 189 ? -3.415 32.187 -6.271 1.00 81.91 ? 189 ILE J O 1 ATOM 4166 C CB . ILE L 1 189 ? -4.779 34.796 -4.747 1.00 67.92 ? 189 ILE J CB 1 ATOM 4167 C CG1 . ILE L 1 189 ? -4.363 35.636 -3.534 1.00 59.85 ? 189 ILE J CG1 1 ATOM 4168 C CG2 . ILE L 1 189 ? -5.472 33.516 -4.314 1.00 54.78 ? 189 ILE J CG2 1 ATOM 4169 C CD1 . ILE L 1 189 ? -5.514 36.015 -2.625 1.00 60.13 ? 189 ILE J CD1 1 ATOM 4170 N N . ASP L 1 190 ? -4.532 33.573 -7.642 1.00 77.41 ? 190 ASP J N 1 ATOM 4171 C CA . ASP L 1 190 ? -4.784 32.537 -8.643 1.00 85.11 ? 190 ASP J CA 1 ATOM 4172 C C . ASP L 1 190 ? -3.482 31.975 -9.202 1.00 77.52 ? 190 ASP J C 1 ATOM 4173 O O . ASP L 1 190 ? -3.296 30.762 -9.263 1.00 83.18 ? 190 ASP J O 1 ATOM 4174 C CB . ASP L 1 190 ? -5.644 33.080 -9.785 1.00 77.76 ? 190 ASP J CB 1 ATOM 4175 C CG . ASP L 1 190 ? -7.115 33.098 -9.444 1.00 97.64 ? 190 ASP J CG 1 ATOM 4176 O OD1 . ASP L 1 190 ? -7.492 32.476 -8.427 1.00 102.22 ? 190 ASP J OD1 1 ATOM 4177 O OD2 . ASP L 1 190 ? -7.894 33.723 -10.195 1.00 102.43 ? 190 ASP J OD2 1 ATOM 4178 N N . GLU L 1 191 ? -2.590 32.867 -9.613 1.00 66.95 ? 191 GLU J N 1 ATOM 4179 C CA . GLU L 1 191 ? -1.296 32.476 -10.152 1.00 78.29 ? 191 GLU J CA 1 ATOM 4180 C C . GLU L 1 191 ? -0.546 31.537 -9.211 1.00 83.38 ? 191 GLU J C 1 ATOM 4181 O O . GLU L 1 191 ? -0.205 30.417 -9.581 1.00 90.66 ? 191 GLU J O 1 ATOM 4182 C CB . GLU L 1 191 ? -0.449 33.718 -10.437 1.00 76.01 ? 191 GLU J CB 1 ATOM 4183 C CG . GLU L 1 191 ? 1.042 33.449 -10.524 1.00 104.52 ? 191 GLU J CG 1 ATOM 4184 C CD . GLU L 1 191 ? 1.850 34.720 -10.692 1.00 128.26 ? 191 GLU J CD 1 ATOM 4185 O OE1 . GLU L 1 191 ? 3.022 34.744 -10.257 1.00 130.66 ? 191 GLU J OE1 1 ATOM 4186 O OE2 . GLU L 1 191 ? 1.314 35.696 -11.260 1.00 135.23 ? 191 GLU J OE2 1 ATOM 4187 N N . ILE L 1 192 ? -0.305 31.994 -7.988 1.00 82.88 ? 192 ILE J N 1 ATOM 4188 C CA . ILE L 1 192 ? 0.453 31.215 -7.020 1.00 88.10 ? 192 ILE J CA 1 ATOM 4189 C C . ILE L 1 192 ? -0.262 29.927 -6.612 1.00 86.32 ? 192 ILE J C 1 ATOM 4190 O O . ILE L 1 192 ? 0.384 28.914 -6.353 1.00 95.40 ? 192 ILE J O 1 ATOM 4191 C CB . ILE L 1 192 ? 0.760 32.041 -5.760 1.00 83.51 ? 192 ILE J CB 1 ATOM 4192 C CG1 . ILE L 1 192 ? 1.676 33.214 -6.114 1.00 86.38 ? 192 ILE J CG1 1 ATOM 4193 C CG2 . ILE L 1 192 ? 1.413 31.173 -4.701 1.00 100.55 ? 192 ILE J CG2 1 ATOM 4194 C CD1 . ILE L 1 192 ? 2.158 33.997 -4.915 1.00 95.21 ? 192 ILE J CD1 1 ATOM 4195 N N . THR L 1 193 ? -1.589 29.959 -6.559 1.00 85.45 ? 193 THR J N 1 ATOM 4196 C CA . THR L 1 193 ? -2.343 28.764 -6.185 1.00 94.11 ? 193 THR J CA 1 ATOM 4197 C C . THR L 1 193 ? -2.298 27.699 -7.282 1.00 99.54 ? 193 THR J C 1 ATOM 4198 O O . THR L 1 193 ? -2.503 26.515 -7.010 1.00 102.28 ? 193 THR J O 1 ATOM 4199 C CB . THR L 1 193 ? -3.812 29.090 -5.862 1.00 83.81 ? 193 THR J CB 1 ATOM 4200 O OG1 . THR L 1 193 ? -4.354 29.932 -6.885 1.00 103.35 ? 193 THR J OG1 1 ATOM 4201 C CG2 . THR L 1 193 ? -3.915 29.799 -4.523 1.00 83.65 ? 193 THR J CG2 1 ATOM 4202 N N . LYS L 1 194 ? -2.030 28.117 -8.516 1.00 93.99 ? 194 LYS J N 1 ATOM 4203 C CA . LYS L 1 194 ? -1.866 27.167 -9.612 1.00 93.52 ? 194 LYS J CA 1 ATOM 4204 C C . LYS L 1 194 ? -0.485 26.532 -9.546 1.00 99.97 ? 194 LYS J C 1 ATOM 4205 O O . LYS L 1 194 ? -0.343 25.318 -9.692 1.00 113.90 ? 194 LYS J O 1 ATOM 4206 C CB . LYS L 1 194 ? -2.071 27.841 -10.971 1.00 92.26 ? 194 LYS J CB 1 ATOM 4207 C CG . LYS L 1 194 ? -3.464 28.405 -11.182 1.00 98.49 ? 194 LYS J CG 1 ATOM 4208 C CD . LYS L 1 194 ? -3.765 28.641 -12.658 1.00 107.81 ? 194 LYS J CD 1 ATOM 4209 C CE . LYS L 1 194 ? -2.653 29.412 -13.356 1.00 112.45 ? 194 LYS J CE 1 ATOM 4210 N NZ . LYS L 1 194 ? -1.527 28.531 -13.786 1.00 112.29 ? 194 LYS J NZ 1 ATOM 4211 N N . GLU L 1 195 ? 0.531 27.360 -9.326 1.00 93.00 ? 195 GLU J N 1 ATOM 4212 C CA . GLU L 1 195 ? 1.887 26.868 -9.134 1.00 90.62 ? 195 GLU J CA 1 ATOM 4213 C C . GLU L 1 195 ? 1.933 25.945 -7.926 1.00 93.77 ? 195 GLU J C 1 ATOM 4214 O O . GLU L 1 195 ? 2.724 25.006 -7.880 1.00 107.82 ? 195 GLU J O 1 ATOM 4215 C CB . GLU L 1 195 ? 2.866 28.028 -8.960 1.00 91.82 ? 195 GLU J CB 1 ATOM 4216 C CG . GLU L 1 195 ? 2.995 28.911 -10.190 1.00 119.81 ? 195 GLU J CG 1 ATOM 4217 C CD . GLU L 1 195 ? 3.896 30.111 -9.962 1.00 133.73 ? 195 GLU J CD 1 ATOM 4218 O OE1 . GLU L 1 195 ? 4.340 30.317 -8.812 1.00 127.84 ? 195 GLU J OE1 1 ATOM 4219 O OE2 . GLU L 1 195 ? 4.158 30.850 -10.936 1.00 130.44 ? 195 GLU J OE2 1 ATOM 4220 N N . ASN L 1 196 ? 1.073 26.219 -6.951 1.00 95.32 ? 196 ASN J N 1 ATOM 4221 C CA . ASN L 1 196 ? 0.948 25.367 -5.777 1.00 101.92 ? 196 ASN J CA 1 ATOM 4222 C C . ASN L 1 196 ? 0.496 23.966 -6.175 1.00 104.84 ? 196 ASN J C 1 ATOM 4223 O O . ASN L 1 196 ? 0.866 22.979 -5.542 1.00 111.31 ? 196 ASN J O 1 ATOM 4224 C CB . ASN L 1 196 ? -0.032 25.982 -4.773 1.00 108.08 ? 196 ASN J CB 1 ATOM 4225 C CG . ASN L 1 196 ? -0.258 25.103 -3.557 1.00 116.37 ? 196 ASN J CG 1 ATOM 4226 O OD1 . ASN L 1 196 ? -1.206 24.318 -3.510 1.00 117.94 ? 196 ASN J OD1 1 ATOM 4227 N ND2 . ASN L 1 196 ? 0.612 25.235 -2.561 1.00 118.09 ? 196 ASN J ND2 1 ATOM 4228 N N . LYS L 1 197 ? -0.299 23.890 -7.236 1.00 101.78 ? 197 LYS J N 1 ATOM 4229 C CA . LYS L 1 197 ? -0.785 22.613 -7.742 1.00 101.08 ? 197 LYS J CA 1 ATOM 4230 C C . LYS L 1 197 ? 0.321 21.847 -8.456 1.00 105.45 ? 197 LYS J C 1 ATOM 4231 O O . LYS L 1 197 ? 0.607 20.700 -8.117 1.00 115.60 ? 197 LYS J O 1 ATOM 4232 C CB . LYS L 1 197 ? -1.966 22.825 -8.689 1.00 108.00 ? 197 LYS J CB 1 ATOM 4233 C CG . LYS L 1 197 ? -3.277 22.223 -8.206 1.00 115.79 ? 197 LYS J CG 1 ATOM 4234 C CD . LYS L 1 197 ? -3.851 22.991 -7.026 1.00 120.15 ? 197 LYS J CD 1 ATOM 4235 C CE . LYS L 1 197 ? -5.223 22.453 -6.638 1.00 118.97 ? 197 LYS J CE 1 ATOM 4236 N NZ . LYS L 1 197 ? -5.847 23.233 -5.532 1.00 108.33 ? 197 LYS J NZ 1 ATOM 4237 N N . LYS L 1 198 ? 0.933 22.492 -9.446 1.00 103.49 ? 198 LYS J N 1 ATOM 4238 C CA . LYS L 1 198 ? 1.994 21.884 -10.246 1.00 107.32 ? 198 LYS J CA 1 ATOM 4239 C C . LYS L 1 198 ? 3.109 21.316 -9.375 1.00 111.19 ? 198 LYS J C 1 ATOM 4240 O O . LYS L 1 198 ? 3.645 20.244 -9.656 1.00 117.03 ? 198 LYS J O 1 ATOM 4241 C CB . LYS L 1 198 ? 2.571 22.907 -11.228 1.00 102.90 ? 198 LYS J CB 1 ATOM 4242 C CG . LYS L 1 198 ? 1.534 23.519 -12.154 1.00 111.57 ? 198 LYS J CG 1 ATOM 4243 C CD . LYS L 1 198 ? 2.076 24.747 -12.869 1.00 123.50 ? 198 LYS J CD 1 ATOM 4244 C CE . LYS L 1 198 ? 0.982 25.439 -13.672 1.00 122.65 ? 198 LYS J CE 1 ATOM 4245 N NZ . LYS L 1 198 ? 1.429 26.746 -14.229 1.00 117.88 ? 198 LYS J NZ 1 ATOM 4246 N N . LEU L 1 199 ? 3.454 22.042 -8.317 1.00 111.13 ? 199 LEU J N 1 ATOM 4247 C CA . LEU L 1 199 ? 4.455 21.580 -7.365 1.00 112.79 ? 199 LEU J CA 1 ATOM 4248 C C . LEU L 1 199 ? 3.968 20.332 -6.638 1.00 117.72 ? 199 LEU J C 1 ATOM 4249 O O . LEU L 1 199 ? 4.712 19.364 -6.484 1.00 128.56 ? 199 LEU J O 1 ATOM 4250 C CB . LEU L 1 199 ? 4.791 22.685 -6.359 1.00 116.74 ? 199 LEU J CB 1 ATOM 4251 C CG . LEU L 1 199 ? 5.807 23.751 -6.782 1.00 112.89 ? 199 LEU J CG 1 ATOM 4252 C CD1 . LEU L 1 199 ? 7.227 23.233 -6.620 1.00 120.29 ? 199 LEU J CD1 1 ATOM 4253 C CD2 . LEU L 1 199 ? 5.565 24.198 -8.214 1.00 106.50 ? 199 LEU J CD2 1 ATOM 4254 N N . ALA L 1 200 ? 2.715 20.357 -6.196 1.00 112.87 ? 200 ALA J N 1 ATOM 4255 C CA . ALA L 1 200 ? 2.131 19.226 -5.485 1.00 114.01 ? 200 ALA J CA 1 ATOM 4256 C C . ALA L 1 200 ? 1.927 18.035 -6.418 1.00 122.98 ? 200 ALA J C 1 ATOM 4257 O O . ALA L 1 200 ? 1.908 16.886 -5.977 1.00 125.77 ? 200 ALA J O 1 ATOM 4258 C CB . ALA L 1 200 ? 0.814 19.626 -4.840 1.00 112.11 ? 200 ALA J CB 1 ATOM 4259 N N . ASN L 1 201 ? 1.771 18.315 -7.708 1.00 119.19 ? 201 ASN J N 1 ATOM 4260 C CA . ASN L 1 201 ? 1.640 17.258 -8.703 1.00 117.89 ? 201 ASN J CA 1 ATOM 4261 C C . ASN L 1 201 ? 2.991 16.648 -9.062 1.00 128.12 ? 201 ASN J C 1 ATOM 4262 O O . ASN L 1 201 ? 3.148 15.428 -9.059 1.00 138.00 ? 201 ASN J O 1 ATOM 4263 C CB . ASN L 1 201 ? 0.955 17.784 -9.966 1.00 112.98 ? 201 ASN J CB 1 ATOM 4264 C CG . ASN L 1 201 ? -0.532 18.010 -9.772 1.00 118.08 ? 201 ASN J CG 1 ATOM 4265 O OD1 . ASN L 1 201 ? -1.133 17.504 -8.822 1.00 116.33 ? 201 ASN J OD1 1 ATOM 4266 N ND2 . ASN L 1 201 ? -1.138 18.767 -10.680 1.00 113.48 ? 201 ASN J ND2 1 ATOM 4267 N N . GLU L 1 202 ? 3.964 17.500 -9.369 1.00 125.53 ? 202 GLU J N 1 ATOM 4268 C CA . GLU L 1 202 ? 5.301 17.033 -9.722 1.00 123.95 ? 202 GLU J CA 1 ATOM 4269 C C . GLU L 1 202 ? 5.964 16.295 -8.564 1.00 131.16 ? 202 GLU J C 1 ATOM 4270 O O . GLU L 1 202 ? 6.859 15.478 -8.773 1.00 142.04 ? 202 GLU J O 1 ATOM 4271 C CB . GLU L 1 202 ? 6.181 18.201 -10.169 1.00 125.33 ? 202 GLU J CB 1 ATOM 4272 C CG . GLU L 1 202 ? 5.808 18.771 -11.526 1.00 136.08 ? 202 GLU J CG 1 ATOM 4273 C CD . GLU L 1 202 ? 6.879 19.686 -12.084 1.00 139.81 ? 202 GLU J CD 1 ATOM 4274 O OE1 . GLU L 1 202 ? 7.854 19.972 -11.357 1.00 140.69 ? 202 GLU J OE1 1 ATOM 4275 O OE2 . GLU L 1 202 ? 6.749 20.113 -13.251 1.00 133.85 ? 202 GLU J OE2 1 ATOM 4276 N N . ILE L 1 203 ? 5.526 16.587 -7.343 1.00 125.60 ? 203 ILE J N 1 ATOM 4277 C CA . ILE L 1 203 ? 6.020 15.872 -6.173 1.00 124.88 ? 203 ILE J CA 1 ATOM 4278 C C . ILE L 1 203 ? 5.384 14.490 -6.098 1.00 137.96 ? 203 ILE J C 1 ATOM 4279 O O . ILE L 1 203 ? 6.010 13.531 -5.646 1.00 151.25 ? 203 ILE J O 1 ATOM 4280 C CB . ILE L 1 203 ? 5.737 16.643 -4.869 1.00 130.40 ? 203 ILE J CB 1 ATOM 4281 C CG1 . ILE L 1 203 ? 6.696 17.828 -4.737 1.00 133.02 ? 203 ILE J CG1 1 ATOM 4282 C CG2 . ILE L 1 203 ? 5.877 15.727 -3.663 1.00 127.95 ? 203 ILE J CG2 1 ATOM 4283 C CD1 . ILE L 1 203 ? 6.623 18.527 -3.398 1.00 133.17 ? 203 ILE J CD1 1 ATOM 4284 N N . GLY L 1 204 ? 4.139 14.394 -6.552 1.00 136.90 ? 204 GLY J N 1 ATOM 4285 C CA . GLY L 1 204 ? 3.431 13.127 -6.571 1.00 138.43 ? 204 GLY J CA 1 ATOM 4286 C C . GLY L 1 204 ? 4.027 12.152 -7.568 1.00 138.60 ? 204 GLY J C 1 ATOM 4287 O O . GLY L 1 204 ? 3.989 10.940 -7.362 1.00 141.73 ? 204 GLY J O 1 ATOM 4288 N N . ARG L 1 205 ? 4.580 12.685 -8.652 1.00 134.16 ? 205 ARG J N 1 ATOM 4289 C CA . ARG L 1 205 ? 5.197 11.861 -9.684 1.00 137.23 ? 205 ARG J CA 1 ATOM 4290 C C . ARG L 1 205 ? 6.504 11.251 -9.193 1.00 147.32 ? 205 ARG J C 1 ATOM 4291 O O . ARG L 1 205 ? 6.731 10.049 -9.326 1.00 151.59 ? 205 ARG J O 1 ATOM 4292 C CB . ARG L 1 205 ? 5.454 12.683 -10.947 1.00 139.04 ? 205 ARG J CB 1 ATOM 4293 C CG . ARG L 1 205 ? 4.244 13.440 -11.456 1.00 140.39 ? 205 ARG J CG 1 ATOM 4294 C CD . ARG L 1 205 ? 4.615 14.316 -12.639 1.00 149.12 ? 205 ARG J CD 1 ATOM 4295 N NE . ARG L 1 205 ? 3.497 15.144 -13.079 1.00 155.01 ? 205 ARG J NE 1 ATOM 4296 C CZ . ARG L 1 205 ? 3.558 15.999 -14.095 1.00 165.09 ? 205 ARG J CZ 1 ATOM 4297 N NH1 . ARG L 1 205 ? 4.685 16.139 -14.780 1.00 163.81 ? 205 ARG J NH1 1 ATOM 4298 N NH2 . ARG L 1 205 ? 2.491 16.713 -14.427 1.00 168.89 ? 205 ARG J NH2 1 ATOM 4299 N N . LEU L 1 206 ? 7.362 12.094 -8.625 1.00 147.34 ? 206 LEU J N 1 ATOM 4300 C CA . LEU L 1 206 ? 8.674 11.662 -8.156 1.00 143.91 ? 206 LEU J CA 1 ATOM 4301 C C . LEU L 1 206 ? 8.578 10.814 -6.893 1.00 148.27 ? 206 LEU J C 1 ATOM 4302 O O . LEU L 1 206 ? 9.523 10.111 -6.537 1.00 157.31 ? 206 LEU J O 1 ATOM 4303 C CB . LEU L 1 206 ? 9.576 12.873 -7.907 1.00 134.28 ? 206 LEU J CB 1 ATOM 4304 C CG . LEU L 1 206 ? 10.214 13.514 -9.143 1.00 138.23 ? 206 LEU J CG 1 ATOM 4305 C CD1 . LEU L 1 206 ? 9.157 14.004 -10.123 1.00 132.67 ? 206 LEU J CD1 1 ATOM 4306 C CD2 . LEU L 1 206 ? 11.146 14.648 -8.739 1.00 139.71 ? 206 LEU J CD2 1 ATOM 4307 N N . ARG L 1 207 ? 7.437 10.882 -6.215 1.00 147.65 ? 207 ARG J N 1 ATOM 4308 C CA . ARG L 1 207 ? 7.216 10.063 -5.029 1.00 153.41 ? 207 ARG J CA 1 ATOM 4309 C C . ARG L 1 207 ? 6.583 8.734 -5.429 1.00 155.44 ? 207 ARG J C 1 ATOM 4310 O O . ARG L 1 207 ? 6.270 7.899 -4.580 1.00 156.76 ? 207 ARG J O 1 ATOM 4311 C CB . ARG L 1 207 ? 6.338 10.798 -4.013 1.00 155.25 ? 207 ARG J CB 1 ATOM 4312 C CG . ARG L 1 207 ? 6.345 10.175 -2.624 1.00 162.95 ? 207 ARG J CG 1 ATOM 4313 C CD . ARG L 1 207 ? 5.676 11.080 -1.600 1.00 174.96 ? 207 ARG J CD 1 ATOM 4314 N NE . ARG L 1 207 ? 4.238 11.204 -1.823 1.00 186.96 ? 207 ARG J NE 1 ATOM 4315 C CZ . ARG L 1 207 ? 3.317 10.491 -1.180 1.00 188.44 ? 207 ARG J CZ 1 ATOM 4316 N NH1 . ARG L 1 207 ? 3.683 9.599 -0.269 1.00 183.87 ? 207 ARG J NH1 1 ATOM 4317 N NH2 . ARG L 1 207 ? 2.031 10.671 -1.446 1.00 180.48 ? 207 ARG J NH2 1 ATOM 4318 N N . GLU L 1 208 ? 6.396 8.548 -6.732 1.00 156.09 ? 208 GLU J N 1 ATOM 4319 C CA . GLU L 1 208 ? 5.875 7.295 -7.264 1.00 160.98 ? 208 GLU J CA 1 ATOM 4320 C C . GLU L 1 208 ? 6.941 6.565 -8.073 1.00 165.24 ? 208 GLU J C 1 ATOM 4321 O O . GLU L 1 208 ? 7.074 5.346 -7.979 1.00 170.15 ? 208 GLU J O 1 ATOM 4322 C CB . GLU L 1 208 ? 4.636 7.544 -8.126 1.00 158.82 ? 208 GLU J CB 1 ATOM 4323 C CG . GLU L 1 208 ? 3.385 7.899 -7.334 1.00 163.73 ? 208 GLU J CG 1 ATOM 4324 C CD . GLU L 1 208 ? 2.873 6.743 -6.491 1.00 164.59 ? 208 GLU J CD 1 ATOM 4325 O OE1 . GLU L 1 208 ? 3.537 5.685 -6.455 1.00 163.56 ? 208 GLU J OE1 1 ATOM 4326 O OE2 . GLU L 1 208 ? 1.802 6.892 -5.866 1.00 160.80 ? 208 GLU J OE2 1 ATOM 4327 N N . ARG L 1 209 ? 7.700 7.318 -8.865 1.00 161.04 ? 209 ARG J N 1 ATOM 4328 C CA . ARG L 1 209 ? 8.801 6.750 -9.636 1.00 154.54 ? 209 ARG J CA 1 ATOM 4329 C C . ARG L 1 209 ? 9.893 6.245 -8.701 1.00 154.48 ? 209 ARG J C 1 ATOM 4330 O O . ARG L 1 209 ? 10.730 5.429 -9.086 1.00 155.94 ? 209 ARG J O 1 ATOM 4331 C CB . ARG L 1 209 ? 9.376 7.783 -10.606 1.00 149.44 ? 209 ARG J CB 1 ATOM 4332 C CG . ARG L 1 209 ? 8.344 8.438 -11.506 1.00 155.92 ? 209 ARG J CG 1 ATOM 4333 C CD . ARG L 1 209 ? 8.967 9.565 -12.313 1.00 160.37 ? 209 ARG J CD 1 ATOM 4334 N NE . ARG L 1 209 ? 7.962 10.368 -13.003 1.00 167.10 ? 209 ARG J NE 1 ATOM 4335 C CZ . ARG L 1 209 ? 8.230 11.481 -13.677 1.00 171.21 ? 209 ARG J CZ 1 ATOM 4336 N NH1 . ARG L 1 209 ? 9.476 11.928 -13.752 1.00 175.67 ? 209 ARG J NH1 1 ATOM 4337 N NH2 . ARG L 1 209 ? 7.253 12.149 -14.275 1.00 170.59 ? 209 ARG J NH2 1 ATOM 4338 N N . TRP L 1 210 ? 9.877 6.744 -7.469 1.00 150.66 ? 210 TRP J N 1 ATOM 4339 C CA . TRP L 1 210 ? 10.844 6.340 -6.458 1.00 144.98 ? 210 TRP J CA 1 ATOM 4340 C C . TRP L 1 210 ? 10.289 5.196 -5.615 1.00 153.32 ? 210 TRP J C 1 ATOM 4341 O O . TRP L 1 210 ? 11.026 4.300 -5.207 1.00 157.74 ? 210 TRP J O 1 ATOM 4342 C CB . TRP L 1 210 ? 11.213 7.528 -5.569 1.00 144.41 ? 210 TRP J CB 1 ATOM 4343 C CG . TRP L 1 210 ? 12.327 7.251 -4.606 1.00 145.36 ? 210 TRP J CG 1 ATOM 4344 C CD1 . TRP L 1 210 ? 13.653 7.518 -4.788 1.00 139.98 ? 210 TRP J CD1 1 ATOM 4345 C CD2 . TRP L 1 210 ? 12.211 6.658 -3.307 1.00 149.35 ? 210 TRP J CD2 1 ATOM 4346 N NE1 . TRP L 1 210 ? 14.370 7.127 -3.683 1.00 142.71 ? 210 TRP J NE1 1 ATOM 4347 C CE2 . TRP L 1 210 ? 13.510 6.596 -2.761 1.00 149.70 ? 210 TRP J CE2 1 ATOM 4348 C CE3 . TRP L 1 210 ? 11.138 6.173 -2.554 1.00 148.38 ? 210 TRP J CE3 1 ATOM 4349 C CZ2 . TRP L 1 210 ? 13.761 6.068 -1.495 1.00 152.60 ? 210 TRP J CZ2 1 ATOM 4350 C CZ3 . TRP L 1 210 ? 11.390 5.649 -1.298 1.00 152.53 ? 210 TRP J CZ3 1 ATOM 4351 C CH2 . TRP L 1 210 ? 12.691 5.600 -0.782 1.00 154.87 ? 210 TRP J CH2 1 ATOM 4352 N N . ASP L 1 211 ? 8.984 5.233 -5.361 1.00 158.02 ? 211 ASP J N 1 ATOM 4353 C CA . ASP L 1 211 ? 8.326 4.189 -4.580 1.00 162.12 ? 211 ASP J CA 1 ATOM 4354 C C . ASP L 1 211 ? 8.045 2.949 -5.422 1.00 164.06 ? 211 ASP J C 1 ATOM 4355 O O . ASP L 1 211 ? 7.920 1.846 -4.891 1.00 165.85 ? 211 ASP J O 1 ATOM 4356 C CB . ASP L 1 211 ? 7.021 4.709 -3.971 1.00 165.73 ? 211 ASP J CB 1 ATOM 4357 C CG . ASP L 1 211 ? 7.253 5.641 -2.797 1.00 167.03 ? 211 ASP J CG 1 ATOM 4358 O OD1 . ASP L 1 211 ? 8.165 6.490 -2.879 1.00 160.76 ? 211 ASP J OD1 1 ATOM 4359 O OD2 . ASP L 1 211 ? 6.524 5.522 -1.789 1.00 159.79 ? 211 ASP J OD2 1 ATOM 4360 N N . SER L 1 212 ? 7.943 3.135 -6.735 1.00 165.10 ? 212 SER J N 1 ATOM 4361 C CA . SER L 1 212 ? 7.673 2.024 -7.643 1.00 168.29 ? 212 SER J CA 1 ATOM 4362 C C . SER L 1 212 ? 8.867 1.080 -7.720 1.00 169.76 ? 212 SER J C 1 ATOM 4363 O O . SER L 1 212 ? 8.721 -0.135 -7.589 1.00 171.85 ? 212 SER J O 1 ATOM 4364 C CB . SER L 1 212 ? 7.320 2.539 -9.040 1.00 163.43 ? 212 SER J CB 1 ATOM 4365 O OG . SER L 1 212 ? 8.429 3.183 -9.646 1.00 159.37 ? 212 SER J OG 1 ATOM 4366 N N . LEU L 1 213 ? 10.050 1.648 -7.932 1.00 167.10 ? 213 LEU J N 1 ATOM 4367 C CA . LEU L 1 213 ? 11.271 0.859 -8.029 1.00 163.07 ? 213 LEU J CA 1 ATOM 4368 C C . LEU L 1 213 ? 11.720 0.379 -6.652 1.00 163.99 ? 213 LEU J C 1 ATOM 4369 O O . LEU L 1 213 ? 12.625 -0.447 -6.536 1.00 165.19 ? 213 LEU J O 1 ATOM 4370 C CB . LEU L 1 213 ? 12.381 1.673 -8.695 1.00 152.00 ? 213 LEU J CB 1 ATOM 4371 C CG . LEU L 1 213 ? 12.044 2.258 -10.069 1.00 149.87 ? 213 LEU J CG 1 ATOM 4372 C CD1 . LEU L 1 213 ? 13.235 3.013 -10.631 1.00 136.05 ? 213 LEU J CD1 1 ATOM 4373 C CD2 . LEU L 1 213 ? 11.589 1.170 -11.032 1.00 138.15 ? 213 LEU J CD2 1 ATOM 4374 N N . VAL L 1 214 ? 11.077 0.901 -5.613 1.00 165.52 ? 214 VAL J N 1 ATOM 4375 C CA . VAL L 1 214 ? 11.382 0.512 -4.240 1.00 163.79 ? 214 VAL J CA 1 ATOM 4376 C C . VAL L 1 214 ? 10.178 -0.152 -3.578 1.00 157.90 ? 214 VAL J C 1 ATOM 4377 O O . VAL L 1 214 ? 10.323 -1.111 -2.819 1.00 146.53 ? 214 VAL J O 1 ATOM 4378 C CB . VAL L 1 214 ? 11.821 1.722 -3.394 1.00 155.96 ? 214 VAL J CB 1 ATOM 4379 C CG1 . VAL L 1 214 ? 11.955 1.329 -1.931 1.00 145.28 ? 214 VAL J CG1 1 ATOM 4380 C CG2 . VAL L 1 214 ? 13.127 2.295 -3.924 1.00 143.79 ? 214 VAL J CG2 1 HETATM 4381 NA NA . NA M 2 . ? -37.815 60.618 -33.877 1.00 74.32 ? 301 NA C NA 1 HETATM 4382 N N . NO3 N 3 . ? -41.863 54.884 -37.693 1.00 58.28 ? 302 NO3 C N 1 HETATM 4383 O O1 . NO3 N 3 . ? -41.949 53.997 -38.592 1.00 59.18 ? 302 NO3 C O1 1 HETATM 4384 O O2 . NO3 N 3 . ? -41.750 56.100 -38.023 1.00 59.71 ? 302 NO3 C O2 1 HETATM 4385 O O3 . NO3 N 3 . ? -41.885 54.560 -36.467 1.00 69.42 ? 302 NO3 C O3 1 HETATM 4386 C C1 . EDO O 4 . ? -39.438 52.266 -49.677 1.00 80.57 ? 303 EDO C C1 1 HETATM 4387 O O1 . EDO O 4 . ? -40.583 52.950 -50.205 1.00 68.05 ? 303 EDO C O1 1 HETATM 4388 C C2 . EDO O 4 . ? -38.177 52.762 -50.381 1.00 99.11 ? 303 EDO C C2 1 HETATM 4389 O O2 . EDO O 4 . ? -37.016 52.429 -49.606 1.00 85.77 ? 303 EDO C O2 1 HETATM 4390 C C1 . EDO P 4 . ? -36.724 59.818 -45.935 1.00 62.51 ? 304 EDO C C1 1 HETATM 4391 O O1 . EDO P 4 . ? -36.235 58.899 -44.945 1.00 50.35 ? 304 EDO C O1 1 HETATM 4392 C C2 . EDO P 4 . ? -35.965 59.605 -47.246 1.00 84.46 ? 304 EDO C C2 1 HETATM 4393 O O2 . EDO P 4 . ? -36.588 60.320 -48.322 1.00 81.46 ? 304 EDO C O2 1 HETATM 4394 NA NA . NA Q 2 . ? -34.137 60.288 -20.325 1.00 93.15 ? 301 NA D NA 1 HETATM 4395 NA NA . NA R 2 . ? -23.224 71.343 -23.744 1.00 94.11 ? 302 NA D NA 1 HETATM 4396 N N . NO3 S 3 . ? -33.793 67.557 -26.360 1.00 88.97 ? 303 NO3 D N 1 HETATM 4397 O O1 . NO3 S 3 . ? -34.125 67.206 -27.542 1.00 64.61 ? 303 NO3 D O1 1 HETATM 4398 O O2 . NO3 S 3 . ? -34.323 68.567 -25.803 1.00 81.34 ? 303 NO3 D O2 1 HETATM 4399 O O3 . NO3 S 3 . ? -32.921 66.900 -25.721 1.00 69.46 ? 303 NO3 D O3 1 HETATM 4400 N N . NO3 T 3 . ? -43.541 64.918 -30.092 1.00 86.42 ? 304 NO3 D N 1 HETATM 4401 O O1 . NO3 T 3 . ? -43.551 65.093 -28.836 1.00 66.41 ? 304 NO3 D O1 1 HETATM 4402 O O2 . NO3 T 3 . ? -44.495 65.346 -30.822 1.00 56.66 ? 304 NO3 D O2 1 HETATM 4403 O O3 . NO3 T 3 . ? -42.560 64.307 -30.609 1.00 83.13 ? 304 NO3 D O3 1 HETATM 4404 CL CL . CL U 5 . ? -40.120 53.756 -28.864 1.00 87.11 ? 305 CL D CL 1 HETATM 4405 CL CL . CL V 5 . ? -36.052 49.918 -27.299 1.00 90.75 ? 306 CL D CL 1 HETATM 4406 N N . NO3 W 3 . ? -23.106 66.229 -27.825 1.00 67.55 ? 301 NO3 A N 1 HETATM 4407 O O1 . NO3 W 3 . ? -22.832 67.461 -27.933 1.00 62.57 ? 301 NO3 A O1 1 HETATM 4408 O O2 . NO3 W 3 . ? -22.401 65.350 -28.415 1.00 55.63 ? 301 NO3 A O2 1 HETATM 4409 O O3 . NO3 W 3 . ? -24.096 65.869 -27.126 1.00 59.89 ? 301 NO3 A O3 1 HETATM 4410 N N . NO3 X 3 . ? -23.792 59.281 -25.846 1.00 91.74 ? 302 NO3 A N 1 HETATM 4411 O O1 . NO3 X 3 . ? -22.901 59.147 -24.951 1.00 84.60 ? 302 NO3 A O1 1 HETATM 4412 O O2 . NO3 X 3 . ? -24.324 58.253 -26.352 1.00 76.78 ? 302 NO3 A O2 1 HETATM 4413 O O3 . NO3 X 3 . ? -24.154 60.431 -26.236 1.00 74.96 ? 302 NO3 A O3 1 HETATM 4414 C C1 . EDO Y 4 . ? -22.255 46.583 -23.287 1.00 89.63 ? 303 EDO A C1 1 HETATM 4415 O O1 . EDO Y 4 . ? -22.445 47.993 -23.105 1.00 75.41 ? 303 EDO A O1 1 HETATM 4416 C C2 . EDO Y 4 . ? -21.399 46.341 -24.528 1.00 85.40 ? 303 EDO A C2 1 HETATM 4417 O O2 . EDO Y 4 . ? -21.227 44.934 -24.737 1.00 89.08 ? 303 EDO A O2 1 HETATM 4418 C C1 . EDO Z 4 . ? -26.263 75.656 -24.145 1.00 109.72 ? 304 EDO A C1 1 HETATM 4419 O O1 . EDO Z 4 . ? -27.223 76.675 -24.447 1.00 110.50 ? 304 EDO A O1 1 HETATM 4420 C C2 . EDO Z 4 . ? -24.887 76.101 -24.630 1.00 104.97 ? 304 EDO A C2 1 HETATM 4421 O O2 . EDO Z 4 . ? -23.923 75.089 -24.321 1.00 103.55 ? 304 EDO A O2 1 HETATM 4422 NA NA . NA AA 2 . ? -35.537 63.595 -47.819 1.00 87.47 ? 301 NA B NA 1 HETATM 4423 N N . NO3 BA 3 . ? -22.491 60.091 -41.079 1.00 62.96 ? 302 NO3 B N 1 HETATM 4424 O O1 . NO3 BA 3 . ? -21.961 59.591 -40.039 1.00 77.39 ? 302 NO3 B O1 1 HETATM 4425 O O2 . NO3 BA 3 . ? -21.954 59.884 -42.193 1.00 50.55 ? 302 NO3 B O2 1 HETATM 4426 O O3 . NO3 BA 3 . ? -23.545 60.797 -41.007 1.00 52.51 ? 302 NO3 B O3 1 HETATM 4427 N N . NO3 CA 3 . ? -3.910 53.145 -15.172 1.00 50.79 ? 301 NO3 G N 1 HETATM 4428 O O1 . NO3 CA 3 . ? -2.830 53.097 -15.829 1.00 40.07 ? 301 NO3 G O1 1 HETATM 4429 O O2 . NO3 CA 3 . ? -4.492 54.248 -15.001 1.00 40.13 ? 301 NO3 G O2 1 HETATM 4430 O O3 . NO3 CA 3 . ? -4.415 52.095 -14.687 1.00 48.56 ? 301 NO3 G O3 1 HETATM 4431 N N . NO3 DA 3 . ? -1.681 65.445 -8.671 1.00 55.02 ? 302 NO3 G N 1 HETATM 4432 O O1 . NO3 DA 3 . ? -1.513 64.206 -8.888 1.00 54.50 ? 302 NO3 G O1 1 HETATM 4433 O O2 . NO3 DA 3 . ? -2.077 66.209 -9.597 1.00 60.44 ? 302 NO3 G O2 1 HETATM 4434 O O3 . NO3 DA 3 . ? -1.454 65.931 -7.530 1.00 57.51 ? 302 NO3 G O3 1 HETATM 4435 N N . NO3 EA 3 . ? -8.461 67.776 -11.584 1.00 98.08 ? 303 NO3 G N 1 HETATM 4436 O O1 . NO3 EA 3 . ? -9.293 67.035 -12.197 1.00 69.47 ? 303 NO3 G O1 1 HETATM 4437 O O2 . NO3 EA 3 . ? -8.387 69.007 -11.887 1.00 81.90 ? 303 NO3 G O2 1 HETATM 4438 O O3 . NO3 EA 3 . ? -7.708 67.295 -10.673 1.00 68.92 ? 303 NO3 G O3 1 HETATM 4439 N N . NO3 FA 3 . ? -3.281 76.514 -12.168 1.00 99.41 ? 304 NO3 G N 1 HETATM 4440 O O1 . NO3 FA 3 . ? -2.716 77.445 -12.818 1.00 93.53 ? 304 NO3 G O1 1 HETATM 4441 O O2 . NO3 FA 3 . ? -3.466 75.381 -12.707 1.00 78.90 ? 304 NO3 G O2 1 HETATM 4442 O O3 . NO3 FA 3 . ? -3.660 76.718 -10.976 1.00 82.65 ? 304 NO3 G O3 1 HETATM 4443 N N . NO3 GA 3 . ? 0.180 68.938 -25.308 1.00 99.38 ? 301 NO3 H N 1 HETATM 4444 O O1 . NO3 GA 3 . ? -0.570 68.002 -24.881 1.00 67.53 ? 301 NO3 H O1 1 HETATM 4445 O O2 . NO3 GA 3 . ? 0.759 69.713 -24.481 1.00 81.66 ? 301 NO3 H O2 1 HETATM 4446 O O3 . NO3 GA 3 . ? 0.352 69.097 -26.560 1.00 63.53 ? 301 NO3 H O3 1 HETATM 4447 NA NA . NA HA 2 . ? -17.104 69.644 14.873 1.00 63.18 ? 301 NA K NA 1 HETATM 4448 NA NA . NA IA 2 . ? -22.560 62.198 1.894 1.00 76.55 ? 302 NA K NA 1 HETATM 4449 NA NA . NA JA 2 . ? -17.470 48.932 9.014 1.00 73.09 ? 303 NA K NA 1 HETATM 4450 N N . NO3 KA 3 . ? -21.039 68.947 5.250 1.00 80.47 ? 304 NO3 K N 1 HETATM 4451 O O1 . NO3 KA 3 . ? -21.822 68.890 6.248 1.00 77.90 ? 304 NO3 K O1 1 HETATM 4452 O O2 . NO3 KA 3 . ? -21.043 69.956 4.486 1.00 81.58 ? 304 NO3 K O2 1 HETATM 4453 O O3 . NO3 KA 3 . ? -20.248 67.989 5.007 1.00 68.53 ? 304 NO3 K O3 1 HETATM 4454 N N . NO3 LA 3 . ? -26.228 62.728 1.194 1.00 104.98 ? 305 NO3 K N 1 HETATM 4455 O O1 . NO3 LA 3 . ? -27.039 62.512 0.242 1.00 93.48 ? 305 NO3 K O1 1 HETATM 4456 O O2 . NO3 LA 3 . ? -26.091 63.901 1.658 1.00 89.53 ? 305 NO3 K O2 1 HETATM 4457 O O3 . NO3 LA 3 . ? -25.549 61.775 1.687 1.00 83.83 ? 305 NO3 K O3 1 HETATM 4458 N N . NO3 MA 3 . ? -9.939 60.820 10.755 1.00 60.39 ? 306 NO3 K N 1 HETATM 4459 O O1 . NO3 MA 3 . ? -11.140 60.827 11.175 1.00 84.64 ? 306 NO3 K O1 1 HETATM 4460 O O2 . NO3 MA 3 . ? -9.573 61.547 9.780 1.00 56.41 ? 306 NO3 K O2 1 HETATM 4461 O O3 . NO3 MA 3 . ? -9.110 60.070 11.329 1.00 50.95 ? 306 NO3 K O3 1 HETATM 4462 N N . NH4 NA 6 . ? -16.669 56.893 12.961 1.00 82.50 ? 307 NH4 K N 1 HETATM 4463 H HN1 . NH4 NA 6 . ? -16.685 55.913 12.965 1.00 99.00 ? 307 NH4 K HN1 1 HETATM 4464 H HN2 . NH4 NA 6 . ? -16.222 57.209 12.148 1.00 99.00 ? 307 NH4 K HN2 1 HETATM 4465 H HN3 . NH4 NA 6 . ? -17.588 57.235 12.982 1.00 99.00 ? 307 NH4 K HN3 1 HETATM 4466 H HN4 . NH4 NA 6 . ? -16.182 57.216 13.748 1.00 99.00 ? 307 NH4 K HN4 1 HETATM 4467 C C1 . EDO OA 4 . ? -17.021 48.245 0.729 1.00 82.17 ? 308 EDO K C1 1 HETATM 4468 O O1 . EDO OA 4 . ? -17.999 47.207 0.576 1.00 95.43 ? 308 EDO K O1 1 HETATM 4469 C C2 . EDO OA 4 . ? -17.478 49.491 -0.023 1.00 69.38 ? 308 EDO K C2 1 HETATM 4470 O O2 . EDO OA 4 . ? -16.780 50.642 0.473 1.00 68.16 ? 308 EDO K O2 1 HETATM 4471 S S . SO4 PA 7 . ? -16.803 66.340 14.216 1.00 65.68 ? 309 SO4 K S 1 HETATM 4472 O O1 . SO4 PA 7 . ? -16.927 64.946 13.832 1.00 77.25 ? 309 SO4 K O1 1 HETATM 4473 O O2 . SO4 PA 7 . ? -17.610 67.098 13.256 1.00 52.57 ? 309 SO4 K O2 1 HETATM 4474 O O3 . SO4 PA 7 . ? -17.310 66.495 15.576 1.00 54.60 ? 309 SO4 K O3 1 HETATM 4475 O O4 . SO4 PA 7 . ? -15.406 66.737 14.175 1.00 59.63 ? 309 SO4 K O4 1 HETATM 4476 C C1 . EDO QA 4 . ? 0.537 57.409 5.989 1.00 61.05 ? 301 EDO L C1 1 HETATM 4477 O O1 . EDO QA 4 . ? 1.041 57.572 7.322 1.00 75.04 ? 301 EDO L O1 1 HETATM 4478 C C2 . EDO QA 4 . ? -0.070 58.726 5.506 1.00 68.06 ? 301 EDO L C2 1 HETATM 4479 O O2 . EDO QA 4 . ? 0.926 59.759 5.527 1.00 83.06 ? 301 EDO L O2 1 HETATM 4480 NA NA . NA RA 2 . ? -12.151 48.592 -38.453 1.00 69.30 ? 301 NA E NA 1 HETATM 4481 CL CL . CL SA 5 . ? -15.368 48.645 -38.084 1.00 107.83 ? 302 CL E CL 1 HETATM 4482 CL CL . CL TA 5 . ? 1.985 43.125 -40.321 1.00 116.52 ? 303 CL E CL 1 HETATM 4483 I I . IOD UA 8 . ? -6.538 68.016 -34.466 1.00 192.75 ? 304 IOD E I 1 HETATM 4484 NA NA . NA VA 2 . ? -20.542 57.350 -26.214 1.00 50.09 ? 301 NA F NA 1 HETATM 4485 NA NA . NA WA 2 . ? -20.789 62.012 -15.402 1.00 98.60 ? 302 NA F NA 1 HETATM 4486 NA NA . NA XA 2 . ? -24.699 63.397 -23.053 1.00 90.21 ? 303 NA F NA 1 HETATM 4487 NA NA . NA YA 2 . ? -20.033 51.959 -22.590 1.00 66.05 ? 304 NA F NA 1 HETATM 4488 N N . NO3 ZA 3 . ? -17.663 59.029 -29.859 1.00 61.39 ? 305 NO3 F N 1 HETATM 4489 O O1 . NO3 ZA 3 . ? -17.119 59.540 -28.822 1.00 47.69 ? 305 NO3 F O1 1 HETATM 4490 O O2 . NO3 ZA 3 . ? -17.395 59.464 -31.021 1.00 81.04 ? 305 NO3 F O2 1 HETATM 4491 O O3 . NO3 ZA 3 . ? -18.482 58.071 -29.762 1.00 50.71 ? 305 NO3 F O3 1 HETATM 4492 CL CL . CL AB 5 . ? -17.498 42.857 -37.384 1.00 124.32 ? 306 CL F CL 1 HETATM 4493 CL CL . CL BB 5 . ? -19.433 53.003 -19.354 1.00 100.28 ? 307 CL F CL 1 HETATM 4494 NA NA . NA CB 2 . ? 3.424 61.948 0.828 1.00 78.56 ? 301 NA I NA 1 HETATM 4495 NA NA . NA DB 2 . ? 2.505 66.741 1.763 1.00 86.39 ? 302 NA I NA 1 HETATM 4496 N N . NO3 EB 3 . ? -7.280 59.369 -12.058 1.00 50.16 ? 303 NO3 I N 1 HETATM 4497 O O1 . NO3 EB 3 . ? -7.426 58.122 -12.216 1.00 61.18 ? 303 NO3 I O1 1 HETATM 4498 O O2 . NO3 EB 3 . ? -8.274 60.121 -11.845 1.00 51.14 ? 303 NO3 I O2 1 HETATM 4499 O O3 . NO3 EB 3 . ? -6.129 59.873 -12.122 1.00 67.26 ? 303 NO3 I O3 1 HETATM 4500 N N . NO3 FB 3 . ? 4.248 56.718 0.235 1.00 106.32 ? 304 NO3 I N 1 HETATM 4501 O O1 . NO3 FB 3 . ? 4.386 56.245 -0.937 1.00 79.60 ? 304 NO3 I O1 1 HETATM 4502 O O2 . NO3 FB 3 . ? 4.664 57.883 0.519 1.00 91.30 ? 304 NO3 I O2 1 HETATM 4503 O O3 . NO3 FB 3 . ? 3.691 56.018 1.128 1.00 87.96 ? 304 NO3 I O3 1 HETATM 4504 C C1 . EDO GB 4 . ? -8.314 63.837 -4.719 1.00 53.24 ? 305 EDO I C1 1 HETATM 4505 O O1 . EDO GB 4 . ? -7.643 62.767 -5.386 1.00 56.30 ? 305 EDO I O1 1 HETATM 4506 C C2 . EDO GB 4 . ? -8.967 64.769 -5.732 1.00 49.98 ? 305 EDO I C2 1 HETATM 4507 O O2 . EDO GB 4 . ? -9.440 65.921 -5.028 1.00 59.02 ? 305 EDO I O2 1 HETATM 4508 N N . NO3 HB 3 . ? -12.025 77.133 -1.386 1.00 110.78 ? 301 NO3 J N 1 HETATM 4509 O O1 . NO3 HB 3 . ? -12.445 77.014 -2.576 1.00 98.01 ? 301 NO3 J O1 1 HETATM 4510 O O2 . NO3 HB 3 . ? -11.985 78.273 -0.837 1.00 108.96 ? 301 NO3 J O2 1 HETATM 4511 O O3 . NO3 HB 3 . ? -11.644 76.114 -0.739 1.00 99.58 ? 301 NO3 J O3 1 HETATM 4512 N N . NH4 IB 6 . ? -1.077 41.365 -12.886 1.00 111.33 ? 302 NH4 J N 1 HETATM 4513 H HN1 . NH4 IB 6 . ? -1.644 40.571 -12.980 1.00 133.60 ? 302 NH4 J HN1 1 HETATM 4514 H HN2 . NH4 IB 6 . ? -0.624 41.545 -13.737 1.00 133.60 ? 302 NH4 J HN2 1 HETATM 4515 H HN3 . NH4 IB 6 . ? -1.630 42.135 -12.641 1.00 133.60 ? 302 NH4 J HN3 1 HETATM 4516 H HN4 . NH4 IB 6 . ? -0.408 41.207 -12.187 1.00 133.60 ? 302 NH4 J HN4 1 HETATM 4517 C C1 . EDO JB 4 . ? -16.355 62.696 -10.127 1.00 99.63 ? 303 EDO J C1 1 HETATM 4518 O O1 . EDO JB 4 . ? -16.281 64.120 -10.272 1.00 98.94 ? 303 EDO J O1 1 HETATM 4519 C C2 . EDO JB 4 . ? -17.808 62.266 -9.945 1.00 103.96 ? 303 EDO J C2 1 HETATM 4520 O O2 . EDO JB 4 . ? -17.877 60.838 -9.844 1.00 85.17 ? 303 EDO J O2 1 HETATM 4521 C C1 . EDO KB 4 . ? -5.244 55.001 -8.096 1.00 57.69 ? 304 EDO J C1 1 HETATM 4522 O O1 . EDO KB 4 . ? -6.561 55.438 -8.494 1.00 65.43 ? 304 EDO J O1 1 HETATM 4523 C C2 . EDO KB 4 . ? -4.684 54.000 -9.108 1.00 68.94 ? 304 EDO J C2 1 HETATM 4524 O O2 . EDO KB 4 . ? -4.442 54.626 -10.385 1.00 54.34 ? 304 EDO J O2 1 HETATM 4525 O O . HOH LB 9 . ? -38.528 63.895 -42.868 1.00 43.18 ? 401 HOH C O 1 HETATM 4526 O O . HOH LB 9 . ? -42.280 76.913 -35.625 1.00 64.23 ? 402 HOH C O 1 HETATM 4527 O O . HOH LB 9 . ? -38.254 66.901 -42.614 1.00 41.99 ? 403 HOH C O 1 HETATM 4528 O O . HOH MB 9 . ? -38.806 61.715 -28.135 1.00 69.15 ? 401 HOH D O 1 HETATM 4529 O O . HOH NB 9 . ? -20.976 64.837 -41.970 1.00 50.04 ? 401 HOH A O 1 HETATM 4530 O O . HOH NB 9 . ? -19.534 46.639 -27.431 1.00 52.84 ? 402 HOH A O 1 HETATM 4531 O O . HOH NB 9 . ? -21.867 70.780 -28.488 1.00 74.53 ? 403 HOH A O 1 HETATM 4532 O O . HOH NB 9 . ? -21.482 72.563 -36.027 1.00 68.76 ? 404 HOH A O 1 HETATM 4533 O O . HOH NB 9 . ? -28.917 60.970 -26.975 1.00 53.08 ? 405 HOH A O 1 HETATM 4534 O O . HOH NB 9 . ? -19.760 70.430 -34.665 1.00 49.54 ? 406 HOH A O 1 HETATM 4535 O O . HOH NB 9 . ? -25.719 59.675 -29.033 1.00 53.49 ? 407 HOH A O 1 HETATM 4536 O O . HOH NB 9 . ? -18.389 59.546 -36.349 1.00 54.76 ? 408 HOH A O 1 HETATM 4537 O O . HOH NB 9 . ? -25.014 67.497 -24.687 1.00 80.90 ? 409 HOH A O 1 HETATM 4538 O O . HOH OB 9 . ? -23.045 61.252 -38.101 1.00 37.04 ? 401 HOH B O 1 HETATM 4539 O O . HOH PB 9 . ? -2.467 61.952 -8.353 1.00 46.55 ? 401 HOH G O 1 HETATM 4540 O O . HOH PB 9 . ? -10.631 65.361 -13.502 1.00 65.67 ? 402 HOH G O 1 HETATM 4541 O O . HOH PB 9 . ? -4.316 68.471 -9.711 1.00 68.51 ? 403 HOH G O 1 HETATM 4542 O O . HOH PB 9 . ? -1.609 50.539 -14.561 1.00 51.43 ? 404 HOH G O 1 HETATM 4543 O O . HOH PB 9 . ? -14.664 54.768 -16.878 1.00 71.57 ? 405 HOH G O 1 HETATM 4544 O O . HOH PB 9 . ? -11.018 62.517 -13.961 1.00 52.60 ? 406 HOH G O 1 HETATM 4545 O O . HOH PB 9 . ? -15.602 54.753 -13.170 1.00 67.47 ? 407 HOH G O 1 HETATM 4546 O O . HOH QB 9 . ? -5.364 60.988 -32.713 1.00 49.90 ? 401 HOH H O 1 HETATM 4547 O O . HOH QB 9 . ? -2.179 62.340 -31.068 1.00 56.54 ? 402 HOH H O 1 HETATM 4548 O O . HOH QB 9 . ? -15.867 40.137 -23.831 1.00 68.37 ? 403 HOH H O 1 HETATM 4549 O O . HOH RB 9 . ? -23.342 48.594 3.907 1.00 57.56 ? 401 HOH K O 1 HETATM 4550 O O . HOH RB 9 . ? -18.532 62.832 2.130 1.00 50.28 ? 402 HOH K O 1 HETATM 4551 O O . HOH RB 9 . ? -15.941 59.487 11.722 1.00 54.32 ? 403 HOH K O 1 HETATM 4552 O O . HOH RB 9 . ? -24.115 70.381 7.167 1.00 62.49 ? 404 HOH K O 1 HETATM 4553 O O . HOH SB 9 . ? -9.642 64.902 13.118 1.00 57.09 ? 401 HOH L O 1 HETATM 4554 O O . HOH SB 9 . ? -12.392 62.175 8.974 1.00 40.64 ? 402 HOH L O 1 HETATM 4555 O O . HOH TB 9 . ? -5.000 59.452 -38.656 1.00 42.42 ? 401 HOH E O 1 HETATM 4556 O O . HOH TB 9 . ? -14.873 70.554 -33.568 1.00 49.19 ? 402 HOH E O 1 HETATM 4557 O O . HOH TB 9 . ? -15.339 59.492 -35.656 1.00 51.01 ? 403 HOH E O 1 HETATM 4558 O O . HOH TB 9 . ? 0.206 50.605 -39.987 1.00 73.77 ? 404 HOH E O 1 HETATM 4559 O O . HOH UB 9 . ? -14.528 60.836 -30.889 1.00 35.99 ? 401 HOH F O 1 HETATM 4560 O O . HOH UB 9 . ? -19.415 63.466 -29.746 1.00 50.88 ? 402 HOH F O 1 HETATM 4561 O O . HOH VB 9 . ? 1.865 54.999 3.241 1.00 73.49 ? 401 HOH I O 1 HETATM 4562 O O . HOH VB 9 . ? 2.781 80.373 -4.570 1.00 70.26 ? 402 HOH I O 1 HETATM 4563 O O . HOH VB 9 . ? 0.215 55.035 1.032 1.00 68.39 ? 403 HOH I O 1 HETATM 4564 O O . HOH WB 9 . ? -19.124 64.372 -1.896 1.00 74.55 ? 401 HOH J O 1 HETATM 4565 O O . HOH WB 9 . ? -11.974 44.060 -9.140 1.00 59.73 ? 402 HOH J O 1 HETATM 4566 O O . HOH WB 9 . ? -20.485 58.666 -1.811 1.00 72.31 ? 403 HOH J O 1 HETATM 4567 O O . HOH WB 9 . ? -15.166 48.748 -13.020 1.00 74.09 ? 404 HOH J O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 1 ? ? ? C . n A 1 2 SER 2 2 ? ? ? C . n A 1 3 THR 3 3 ? ? ? C . n A 1 4 LEU 4 4 ? ? ? C . n A 1 5 ALA 5 5 ? ? ? C . n A 1 6 GLU 6 6 ? ? ? C . n A 1 7 VAL 7 7 ? ? ? C . n A 1 8 TYR 8 8 ? ? ? C . n A 1 9 THR 9 9 ? ? ? C . n A 1 10 ILE 10 10 ? ? ? C . n A 1 11 ILE 11 11 ? ? ? C . n A 1 12 GLU 12 12 ? ? ? C . n A 1 13 ASP 13 13 ? ? ? C . n A 1 14 ALA 14 14 ? ? ? C . n A 1 15 GLU 15 15 ? ? ? C . n A 1 16 GLN 16 16 ? ? ? C . n A 1 17 GLU 17 17 ? ? ? C . n A 1 18 CYS 18 18 ? ? ? C . n A 1 19 ARG 19 19 ? ? ? C . n A 1 20 LYS 20 20 ? ? ? C . n A 1 21 GLY 21 21 ? ? ? C . n A 1 22 ASP 22 22 ? ? ? C . n A 1 23 PHE 23 23 ? ? ? C . n A 1 24 THR 24 24 ? ? ? C . n A 1 25 ASN 25 25 ? ? ? C . n A 1 26 ALA 26 26 ? ? ? C . n A 1 27 LYS 27 27 ? ? ? C . n A 1 28 ALA 28 28 ? ? ? C . n A 1 29 LYS 29 29 ? ? ? C . n A 1 30 TYR 30 30 ? ? ? C . n A 1 31 GLN 31 31 ? ? ? C . n A 1 32 GLU 32 32 ? ? ? C . n A 1 33 ALA 33 33 ? ? ? C . n A 1 34 ILE 34 34 ? ? ? C . n A 1 35 GLU 35 35 ? ? ? C . n A 1 36 VAL 36 36 ? ? ? C . n A 1 37 LEU 37 37 ? ? ? C . n A 1 38 GLY 38 38 ? ? ? C . n A 1 39 PRO 39 39 ? ? ? C . n A 1 40 GLN 40 40 ? ? ? C . n A 1 41 ASN 41 41 ? ? ? C . n A 1 42 GLU 42 42 ? ? ? C . n A 1 43 ASN 43 43 ? ? ? C . n A 1 44 LEU 44 44 ? ? ? C . n A 1 45 SER 45 45 ? ? ? C . n A 1 46 GLN 46 46 ? ? ? C . n A 1 47 ASN 47 47 ? ? ? C . n A 1 48 LYS 48 48 ? ? ? C . n A 1 49 LEU 49 49 ? ? ? C . n A 1 50 SER 50 50 ? ? ? C . n A 1 51 SER 51 51 ? ? ? C . n A 1 52 ASP 52 52 ? ? ? C . n A 1 53 VAL 53 53 ? ? ? C . n A 1 54 THR 54 54 ? ? ? C . n A 1 55 GLN 55 55 ? ? ? C . n A 1 56 ALA 56 56 ? ? ? C . n A 1 57 ILE 57 57 ? ? ? C . n A 1 58 ASP 58 58 ? ? ? C . n A 1 59 LEU 59 59 ? ? ? C . n A 1 60 LEU 60 60 ? ? ? C . n A 1 61 LYS 61 61 ? ? ? C . n A 1 62 GLN 62 62 ? ? ? C . n A 1 63 ASP 63 63 ? ? ? C . n A 1 64 ILE 64 64 ? ? ? C . n A 1 65 THR 65 65 ? ? ? C . n A 1 66 ALA 66 66 ? ? ? C . n A 1 67 LYS 67 67 ? ? ? C . n A 1 68 ILE 68 68 ? ? ? C . n A 1 69 GLN 69 69 ? ? ? C . n A 1 70 GLU 70 70 ? ? ? C . n A 1 71 LEU 71 71 ? ? ? C . n A 1 72 GLU 72 72 ? ? ? C . n A 1 73 LEU 73 73 ? ? ? C . n A 1 74 LEU 74 74 ? ? ? C . n A 1 75 ILE 75 75 ? ? ? C . n A 1 76 GLU 76 76 ? ? ? C . n A 1 77 LYS 77 77 ? ? ? C . n A 1 78 GLN 78 78 ? ? ? C . n A 1 79 SER 79 79 ? ? ? C . n A 1 80 SER 80 80 ? ? ? C . n A 1 81 GLU 81 81 ? ? ? C . n A 1 82 GLU 82 82 ? ? ? C . n A 1 83 ASN 83 83 ? ? ? C . n A 1 84 ASN 84 84 ? ? ? C . n A 1 85 ILE 85 85 ? ? ? C . n A 1 86 GLY 86 86 ? ? ? C . n A 1 87 MET 87 87 ? ? ? C . n A 1 88 VAL 88 88 ? ? ? C . n A 1 89 ASN 89 89 ? ? ? C . n A 1 90 ASN 90 90 ? ? ? C . n A 1 91 ASN 91 91 ? ? ? C . n A 1 92 MET 92 92 ? ? ? C . n A 1 93 LEU 93 93 ? ? ? C . n A 1 94 ILE 94 94 ? ? ? C . n A 1 95 GLY 95 95 ? ? ? C . n A 1 96 SER 96 96 ? ? ? C . n A 1 97 VAL 97 97 ? ? ? C . n A 1 98 ILE 98 98 ? ? ? C . n A 1 99 LEU 99 99 ? ? ? C . n A 1 100 ASN 100 100 ? ? ? C . n A 1 101 ASN 101 101 ? ? ? C . n A 1 102 LYS 102 102 ? ? ? C . n A 1 103 SER 103 103 ? ? ? C . n A 1 104 PRO 104 104 ? ? ? C . n A 1 105 ILE 105 105 ? ? ? C . n A 1 106 ASN 106 106 ? ? ? C . n A 1 107 GLY 107 107 ? ? ? C . n A 1 108 ILE 108 108 ? ? ? C . n A 1 109 SER 109 109 ? ? ? C . n A 1 110 ASN 110 110 ? ? ? C . n A 1 111 ALA 111 111 ? ? ? C . n A 1 112 ARG 112 112 ? ? ? C . n A 1 113 ASN 113 113 ? ? ? C . n A 1 114 TRP 114 114 ? ? ? C . n A 1 115 ASP 115 115 ? ? ? C . n A 1 116 ASN 116 116 ? ? ? C . n A 1 117 PRO 117 117 ? ? ? C . n A 1 118 ALA 118 118 ? ? ? C . n A 1 119 TYR 119 119 119 TYR TYR C . n A 1 120 GLN 120 120 120 GLN GLN C . n A 1 121 ASP 121 121 121 ASP ASP C . n A 1 122 THR 122 122 122 THR THR C . n A 1 123 LEU 123 123 123 LEU LEU C . n A 1 124 SER 124 124 124 SER SER C . n A 1 125 PRO 125 125 125 PRO PRO C . n A 1 126 ILE 126 126 126 ILE ILE C . n A 1 127 ASN 127 127 127 ASN ASN C . n A 1 128 ASP 128 128 128 ASP ASP C . n A 1 129 PRO 129 129 129 PRO PRO C . n A 1 130 LEU 130 130 130 LEU LEU C . n A 1 131 LEU 131 131 131 LEU LEU C . n A 1 132 MET 132 132 132 MET MET C . n A 1 133 SER 133 133 133 SER SER C . n A 1 134 ILE 134 134 134 ILE ILE C . n A 1 135 LEU 135 135 135 LEU LEU C . n A 1 136 ASN 136 136 136 ASN ASN C . n A 1 137 ARG 137 137 137 ARG ARG C . n A 1 138 LEU 138 138 138 LEU LEU C . n A 1 139 GLN 139 139 139 GLN GLN C . n A 1 140 PHE 140 140 140 PHE PHE C . n A 1 141 ASN 141 141 141 ASN ASN C . n A 1 142 LEU 142 142 142 LEU LEU C . n A 1 143 ASN 143 143 143 ASN ASN C . n A 1 144 ASN 144 144 144 ASN ASN C . n A 1 145 ASP 145 145 145 ASP ASP C . n A 1 146 ILE 146 146 146 ILE ILE C . n A 1 147 GLN 147 147 147 GLN GLN C . n A 1 148 LEU 148 148 148 LEU LEU C . n A 1 149 LYS 149 149 149 LYS LYS C . n A 1 150 THR 150 150 150 THR THR C . n A 1 151 GLU 151 151 151 GLU GLU C . n A 1 152 GLY 152 152 ? ? ? C . n A 1 153 GLY 153 153 ? ? ? C . n A 1 154 LYS 154 154 ? ? ? C . n A 1 155 ASN 155 155 ? ? ? C . n A 1 156 SER 156 156 ? ? ? C . n A 1 157 LYS 157 157 ? ? ? C . n A 1 158 ASN 158 158 ? ? ? C . n A 1 159 SER 159 159 ? ? ? C . n A 1 160 GLU 160 160 ? ? ? C . n A 1 161 MET 161 161 ? ? ? C . n A 1 162 LYS 162 162 ? ? ? C . n A 1 163 ILE 163 163 ? ? ? C . n A 1 164 ASN 164 164 ? ? ? C . n A 1 165 LEU 165 165 ? ? ? C . n A 1 166 ARG 166 166 ? ? ? C . n A 1 167 LEU 167 167 ? ? ? C . n A 1 168 GLU 168 168 ? ? ? C . n A 1 169 GLN 169 169 ? ? ? C . n A 1 170 PHE 170 170 ? ? ? C . n A 1 171 LYS 171 171 ? ? ? C . n A 1 172 LYS 172 172 ? ? ? C . n A 1 173 GLU 173 173 ? ? ? C . n A 1 174 LEU 174 174 ? ? ? C . n A 1 175 VAL 175 175 ? ? ? C . n A 1 176 LEU 176 176 ? ? ? C . n A 1 177 TYR 177 177 ? ? ? C . n A 1 178 GLU 178 178 ? ? ? C . n A 1 179 GLN 179 179 ? ? ? C . n A 1 180 LYS 180 180 ? ? ? C . n A 1 181 LYS 181 181 ? ? ? C . n A 1 182 PHE 182 182 ? ? ? C . n A 1 183 LYS 183 183 ? ? ? C . n A 1 184 GLU 184 184 ? ? ? C . n A 1 185 TYR 185 185 ? ? ? C . n A 1 186 GLY 186 186 ? ? ? C . n A 1 187 MET 187 187 ? ? ? C . n A 1 188 LYS 188 188 ? ? ? C . n A 1 189 ILE 189 189 ? ? ? C . n A 1 190 ASP 190 190 ? ? ? C . n A 1 191 GLU 191 191 ? ? ? C . n A 1 192 ILE 192 192 ? ? ? C . n A 1 193 THR 193 193 ? ? ? C . n A 1 194 LYS 194 194 ? ? ? C . n A 1 195 GLU 195 195 ? ? ? C . n A 1 196 ASN 196 196 ? ? ? C . n A 1 197 LYS 197 197 ? ? ? C . n A 1 198 LYS 198 198 ? ? ? C . n A 1 199 LEU 199 199 ? ? ? C . n A 1 200 ALA 200 200 ? ? ? C . n A 1 201 ASN 201 201 ? ? ? C . n A 1 202 GLU 202 202 ? ? ? C . n A 1 203 ILE 203 203 ? ? ? C . n A 1 204 GLY 204 204 ? ? ? C . n A 1 205 ARG 205 205 ? ? ? C . n A 1 206 LEU 206 206 ? ? ? C . n A 1 207 ARG 207 207 ? ? ? C . n A 1 208 GLU 208 208 ? ? ? C . n A 1 209 ARG 209 209 ? ? ? C . n A 1 210 TRP 210 210 ? ? ? C . n A 1 211 ASP 211 211 ? ? ? C . n A 1 212 SER 212 212 ? ? ? C . n A 1 213 LEU 213 213 ? ? ? C . n A 1 214 VAL 214 214 ? ? ? C . n A 1 215 GLU 215 215 ? ? ? C . n A 1 216 SER 216 216 ? ? ? C . n A 1 217 ALA 217 217 ? ? ? C . n A 1 218 LYS 218 218 ? ? ? C . n A 1 219 GLN 219 219 ? ? ? C . n A 1 220 ARG 220 220 ? ? ? C . n A 1 221 ARG 221 221 ? ? ? C . n A 1 222 ASP 222 222 ? ? ? C . n A 1 223 LYS 223 223 ? ? ? C . n A 1 224 GLN 224 224 ? ? ? C . n A 1 225 LYS 225 225 ? ? ? C . n A 1 226 ASN 226 226 ? ? ? C . n B 1 1 MET 1 1 ? ? ? D . n B 1 2 SER 2 2 ? ? ? D . n B 1 3 THR 3 3 ? ? ? D . n B 1 4 LEU 4 4 ? ? ? D . n B 1 5 ALA 5 5 ? ? ? D . n B 1 6 GLU 6 6 ? ? ? D . n B 1 7 VAL 7 7 ? ? ? D . n B 1 8 TYR 8 8 ? ? ? D . n B 1 9 THR 9 9 ? ? ? D . n B 1 10 ILE 10 10 ? ? ? D . n B 1 11 ILE 11 11 ? ? ? D . n B 1 12 GLU 12 12 ? ? ? D . n B 1 13 ASP 13 13 ? ? ? D . n B 1 14 ALA 14 14 ? ? ? D . n B 1 15 GLU 15 15 ? ? ? D . n B 1 16 GLN 16 16 ? ? ? D . n B 1 17 GLU 17 17 ? ? ? D . n B 1 18 CYS 18 18 ? ? ? D . n B 1 19 ARG 19 19 ? ? ? D . n B 1 20 LYS 20 20 ? ? ? D . n B 1 21 GLY 21 21 ? ? ? D . n B 1 22 ASP 22 22 ? ? ? D . n B 1 23 PHE 23 23 ? ? ? D . n B 1 24 THR 24 24 ? ? ? D . n B 1 25 ASN 25 25 ? ? ? D . n B 1 26 ALA 26 26 ? ? ? D . n B 1 27 LYS 27 27 ? ? ? D . n B 1 28 ALA 28 28 ? ? ? D . n B 1 29 LYS 29 29 ? ? ? D . n B 1 30 TYR 30 30 ? ? ? D . n B 1 31 GLN 31 31 ? ? ? D . n B 1 32 GLU 32 32 ? ? ? D . n B 1 33 ALA 33 33 ? ? ? D . n B 1 34 ILE 34 34 ? ? ? D . n B 1 35 GLU 35 35 ? ? ? D . n B 1 36 VAL 36 36 ? ? ? D . n B 1 37 LEU 37 37 ? ? ? D . n B 1 38 GLY 38 38 ? ? ? D . n B 1 39 PRO 39 39 ? ? ? D . n B 1 40 GLN 40 40 ? ? ? D . n B 1 41 ASN 41 41 ? ? ? D . n B 1 42 GLU 42 42 ? ? ? D . n B 1 43 ASN 43 43 ? ? ? D . n B 1 44 LEU 44 44 ? ? ? D . n B 1 45 SER 45 45 ? ? ? D . n B 1 46 GLN 46 46 ? ? ? D . n B 1 47 ASN 47 47 ? ? ? D . n B 1 48 LYS 48 48 ? ? ? D . n B 1 49 LEU 49 49 ? ? ? D . n B 1 50 SER 50 50 ? ? ? D . n B 1 51 SER 51 51 ? ? ? D . n B 1 52 ASP 52 52 ? ? ? D . n B 1 53 VAL 53 53 ? ? ? D . n B 1 54 THR 54 54 ? ? ? D . n B 1 55 GLN 55 55 ? ? ? D . n B 1 56 ALA 56 56 ? ? ? D . n B 1 57 ILE 57 57 ? ? ? D . n B 1 58 ASP 58 58 ? ? ? D . n B 1 59 LEU 59 59 ? ? ? D . n B 1 60 LEU 60 60 ? ? ? D . n B 1 61 LYS 61 61 ? ? ? D . n B 1 62 GLN 62 62 ? ? ? D . n B 1 63 ASP 63 63 ? ? ? D . n B 1 64 ILE 64 64 ? ? ? D . n B 1 65 THR 65 65 ? ? ? D . n B 1 66 ALA 66 66 ? ? ? D . n B 1 67 LYS 67 67 ? ? ? D . n B 1 68 ILE 68 68 ? ? ? D . n B 1 69 GLN 69 69 ? ? ? D . n B 1 70 GLU 70 70 ? ? ? D . n B 1 71 LEU 71 71 ? ? ? D . n B 1 72 GLU 72 72 ? ? ? D . n B 1 73 LEU 73 73 ? ? ? D . n B 1 74 LEU 74 74 ? ? ? D . n B 1 75 ILE 75 75 ? ? ? D . n B 1 76 GLU 76 76 ? ? ? D . n B 1 77 LYS 77 77 ? ? ? D . n B 1 78 GLN 78 78 ? ? ? D . n B 1 79 SER 79 79 ? ? ? D . n B 1 80 SER 80 80 ? ? ? D . n B 1 81 GLU 81 81 ? ? ? D . n B 1 82 GLU 82 82 ? ? ? D . n B 1 83 ASN 83 83 ? ? ? D . n B 1 84 ASN 84 84 ? ? ? D . n B 1 85 ILE 85 85 ? ? ? D . n B 1 86 GLY 86 86 ? ? ? D . n B 1 87 MET 87 87 ? ? ? D . n B 1 88 VAL 88 88 ? ? ? D . n B 1 89 ASN 89 89 ? ? ? D . n B 1 90 ASN 90 90 ? ? ? D . n B 1 91 ASN 91 91 ? ? ? D . n B 1 92 MET 92 92 ? ? ? D . n B 1 93 LEU 93 93 ? ? ? D . n B 1 94 ILE 94 94 ? ? ? D . n B 1 95 GLY 95 95 ? ? ? D . n B 1 96 SER 96 96 ? ? ? D . n B 1 97 VAL 97 97 ? ? ? D . n B 1 98 ILE 98 98 ? ? ? D . n B 1 99 LEU 99 99 ? ? ? D . n B 1 100 ASN 100 100 ? ? ? D . n B 1 101 ASN 101 101 ? ? ? D . n B 1 102 LYS 102 102 ? ? ? D . n B 1 103 SER 103 103 ? ? ? D . n B 1 104 PRO 104 104 ? ? ? D . n B 1 105 ILE 105 105 ? ? ? D . n B 1 106 ASN 106 106 ? ? ? D . n B 1 107 GLY 107 107 ? ? ? D . n B 1 108 ILE 108 108 ? ? ? D . n B 1 109 SER 109 109 ? ? ? D . n B 1 110 ASN 110 110 ? ? ? D . n B 1 111 ALA 111 111 ? ? ? D . n B 1 112 ARG 112 112 ? ? ? D . n B 1 113 ASN 113 113 ? ? ? D . n B 1 114 TRP 114 114 ? ? ? D . n B 1 115 ASP 115 115 ? ? ? D . n B 1 116 ASN 116 116 ? ? ? D . n B 1 117 PRO 117 117 ? ? ? D . n B 1 118 ALA 118 118 ? ? ? D . n B 1 119 TYR 119 119 ? ? ? D . n B 1 120 GLN 120 120 ? ? ? D . n B 1 121 ASP 121 121 ? ? ? D . n B 1 122 THR 122 122 ? ? ? D . n B 1 123 LEU 123 123 ? ? ? D . n B 1 124 SER 124 124 ? ? ? D . n B 1 125 PRO 125 125 ? ? ? D . n B 1 126 ILE 126 126 ? ? ? D . n B 1 127 ASN 127 127 ? ? ? D . n B 1 128 ASP 128 128 ? ? ? D . n B 1 129 PRO 129 129 ? ? ? D . n B 1 130 LEU 130 130 ? ? ? D . n B 1 131 LEU 131 131 ? ? ? D . n B 1 132 MET 132 132 ? ? ? D . n B 1 133 SER 133 133 ? ? ? D . n B 1 134 ILE 134 134 ? ? ? D . n B 1 135 LEU 135 135 ? ? ? D . n B 1 136 ASN 136 136 ? ? ? D . n B 1 137 ARG 137 137 ? ? ? D . n B 1 138 LEU 138 138 ? ? ? D . n B 1 139 GLN 139 139 ? ? ? D . n B 1 140 PHE 140 140 ? ? ? D . n B 1 141 ASN 141 141 ? ? ? D . n B 1 142 LEU 142 142 ? ? ? D . n B 1 143 ASN 143 143 ? ? ? D . n B 1 144 ASN 144 144 ? ? ? D . n B 1 145 ASP 145 145 ? ? ? D . n B 1 146 ILE 146 146 ? ? ? D . n B 1 147 GLN 147 147 ? ? ? D . n B 1 148 LEU 148 148 ? ? ? D . n B 1 149 LYS 149 149 ? ? ? D . n B 1 150 THR 150 150 ? ? ? D . n B 1 151 GLU 151 151 ? ? ? D . n B 1 152 GLY 152 152 ? ? ? D . n B 1 153 GLY 153 153 ? ? ? D . n B 1 154 LYS 154 154 ? ? ? D . n B 1 155 ASN 155 155 ? ? ? D . n B 1 156 SER 156 156 ? ? ? D . n B 1 157 LYS 157 157 ? ? ? D . n B 1 158 ASN 158 158 ? ? ? D . n B 1 159 SER 159 159 ? ? ? D . n B 1 160 GLU 160 160 ? ? ? D . n B 1 161 MET 161 161 161 MET MET D . n B 1 162 LYS 162 162 162 LYS LYS D . n B 1 163 ILE 163 163 163 ILE ILE D . n B 1 164 ASN 164 164 164 ASN ASN D . n B 1 165 LEU 165 165 165 LEU LEU D . n B 1 166 ARG 166 166 166 ARG ARG D . n B 1 167 LEU 167 167 167 LEU LEU D . n B 1 168 GLU 168 168 168 GLU GLU D . n B 1 169 GLN 169 169 169 GLN GLN D . n B 1 170 PHE 170 170 170 PHE PHE D . n B 1 171 LYS 171 171 171 LYS LYS D . n B 1 172 LYS 172 172 172 LYS LYS D . n B 1 173 GLU 173 173 173 GLU GLU D . n B 1 174 LEU 174 174 174 LEU LEU D . n B 1 175 VAL 175 175 175 VAL VAL D . n B 1 176 LEU 176 176 176 LEU LEU D . n B 1 177 TYR 177 177 177 TYR TYR D . n B 1 178 GLU 178 178 178 GLU GLU D . n B 1 179 GLN 179 179 179 GLN GLN D . n B 1 180 LYS 180 180 180 LYS LYS D . n B 1 181 LYS 181 181 181 LYS LYS D . n B 1 182 PHE 182 182 182 PHE PHE D . n B 1 183 LYS 183 183 183 LYS LYS D . n B 1 184 GLU 184 184 184 GLU GLU D . n B 1 185 TYR 185 185 185 TYR TYR D . n B 1 186 GLY 186 186 186 GLY GLY D . n B 1 187 MET 187 187 187 MET MET D . n B 1 188 LYS 188 188 188 LYS LYS D . n B 1 189 ILE 189 189 189 ILE ILE D . n B 1 190 ASP 190 190 190 ASP ASP D . n B 1 191 GLU 191 191 191 GLU GLU D . n B 1 192 ILE 192 192 192 ILE ILE D . n B 1 193 THR 193 193 193 THR THR D . n B 1 194 LYS 194 194 194 LYS LYS D . n B 1 195 GLU 195 195 195 GLU GLU D . n B 1 196 ASN 196 196 196 ASN ASN D . n B 1 197 LYS 197 197 197 LYS LYS D . n B 1 198 LYS 198 198 198 LYS LYS D . n B 1 199 LEU 199 199 199 LEU LEU D . n B 1 200 ALA 200 200 200 ALA ALA D . n B 1 201 ASN 201 201 201 ASN ASN D . n B 1 202 GLU 202 202 202 GLU GLU D . n B 1 203 ILE 203 203 203 ILE ILE D . n B 1 204 GLY 204 204 204 GLY GLY D . n B 1 205 ARG 205 205 205 ARG ARG D . n B 1 206 LEU 206 206 206 LEU LEU D . n B 1 207 ARG 207 207 207 ARG ARG D . n B 1 208 GLU 208 208 208 GLU GLU D . n B 1 209 ARG 209 209 209 ARG ARG D . n B 1 210 TRP 210 210 210 TRP TRP D . n B 1 211 ASP 211 211 211 ASP ASP D . n B 1 212 SER 212 212 ? ? ? D . n B 1 213 LEU 213 213 ? ? ? D . n B 1 214 VAL 214 214 ? ? ? D . n B 1 215 GLU 215 215 ? ? ? D . n B 1 216 SER 216 216 ? ? ? D . n B 1 217 ALA 217 217 ? ? ? D . n B 1 218 LYS 218 218 ? ? ? D . n B 1 219 GLN 219 219 ? ? ? D . n B 1 220 ARG 220 220 ? ? ? D . n B 1 221 ARG 221 221 ? ? ? D . n B 1 222 ASP 222 222 ? ? ? D . n B 1 223 LYS 223 223 ? ? ? D . n B 1 224 GLN 224 224 ? ? ? D . n B 1 225 LYS 225 225 ? ? ? D . n B 1 226 ASN 226 226 ? ? ? D . n C 1 1 MET 1 1 ? ? ? A . n C 1 2 SER 2 2 ? ? ? A . n C 1 3 THR 3 3 ? ? ? A . n C 1 4 LEU 4 4 ? ? ? A . n C 1 5 ALA 5 5 ? ? ? A . n C 1 6 GLU 6 6 ? ? ? A . n C 1 7 VAL 7 7 ? ? ? A . n C 1 8 TYR 8 8 ? ? ? A . n C 1 9 THR 9 9 ? ? ? A . n C 1 10 ILE 10 10 ? ? ? A . n C 1 11 ILE 11 11 ? ? ? A . n C 1 12 GLU 12 12 ? ? ? A . n C 1 13 ASP 13 13 ? ? ? A . n C 1 14 ALA 14 14 ? ? ? A . n C 1 15 GLU 15 15 ? ? ? A . n C 1 16 GLN 16 16 ? ? ? A . n C 1 17 GLU 17 17 ? ? ? A . n C 1 18 CYS 18 18 ? ? ? A . n C 1 19 ARG 19 19 ? ? ? A . n C 1 20 LYS 20 20 ? ? ? A . n C 1 21 GLY 21 21 ? ? ? A . n C 1 22 ASP 22 22 ? ? ? A . n C 1 23 PHE 23 23 ? ? ? A . n C 1 24 THR 24 24 ? ? ? A . n C 1 25 ASN 25 25 ? ? ? A . n C 1 26 ALA 26 26 ? ? ? A . n C 1 27 LYS 27 27 ? ? ? A . n C 1 28 ALA 28 28 ? ? ? A . n C 1 29 LYS 29 29 ? ? ? A . n C 1 30 TYR 30 30 ? ? ? A . n C 1 31 GLN 31 31 ? ? ? A . n C 1 32 GLU 32 32 ? ? ? A . n C 1 33 ALA 33 33 ? ? ? A . n C 1 34 ILE 34 34 ? ? ? A . n C 1 35 GLU 35 35 ? ? ? A . n C 1 36 VAL 36 36 ? ? ? A . n C 1 37 LEU 37 37 ? ? ? A . n C 1 38 GLY 38 38 ? ? ? A . n C 1 39 PRO 39 39 ? ? ? A . n C 1 40 GLN 40 40 ? ? ? A . n C 1 41 ASN 41 41 ? ? ? A . n C 1 42 GLU 42 42 ? ? ? A . n C 1 43 ASN 43 43 ? ? ? A . n C 1 44 LEU 44 44 ? ? ? A . n C 1 45 SER 45 45 ? ? ? A . n C 1 46 GLN 46 46 ? ? ? A . n C 1 47 ASN 47 47 ? ? ? A . n C 1 48 LYS 48 48 ? ? ? A . n C 1 49 LEU 49 49 ? ? ? A . n C 1 50 SER 50 50 ? ? ? A . n C 1 51 SER 51 51 ? ? ? A . n C 1 52 ASP 52 52 ? ? ? A . n C 1 53 VAL 53 53 ? ? ? A . n C 1 54 THR 54 54 ? ? ? A . n C 1 55 GLN 55 55 ? ? ? A . n C 1 56 ALA 56 56 ? ? ? A . n C 1 57 ILE 57 57 ? ? ? A . n C 1 58 ASP 58 58 ? ? ? A . n C 1 59 LEU 59 59 ? ? ? A . n C 1 60 LEU 60 60 ? ? ? A . n C 1 61 LYS 61 61 ? ? ? A . n C 1 62 GLN 62 62 ? ? ? A . n C 1 63 ASP 63 63 ? ? ? A . n C 1 64 ILE 64 64 ? ? ? A . n C 1 65 THR 65 65 ? ? ? A . n C 1 66 ALA 66 66 ? ? ? A . n C 1 67 LYS 67 67 ? ? ? A . n C 1 68 ILE 68 68 ? ? ? A . n C 1 69 GLN 69 69 ? ? ? A . n C 1 70 GLU 70 70 ? ? ? A . n C 1 71 LEU 71 71 ? ? ? A . n C 1 72 GLU 72 72 ? ? ? A . n C 1 73 LEU 73 73 ? ? ? A . n C 1 74 LEU 74 74 ? ? ? A . n C 1 75 ILE 75 75 ? ? ? A . n C 1 76 GLU 76 76 ? ? ? A . n C 1 77 LYS 77 77 ? ? ? A . n C 1 78 GLN 78 78 ? ? ? A . n C 1 79 SER 79 79 ? ? ? A . n C 1 80 SER 80 80 ? ? ? A . n C 1 81 GLU 81 81 ? ? ? A . n C 1 82 GLU 82 82 ? ? ? A . n C 1 83 ASN 83 83 ? ? ? A . n C 1 84 ASN 84 84 ? ? ? A . n C 1 85 ILE 85 85 ? ? ? A . n C 1 86 GLY 86 86 ? ? ? A . n C 1 87 MET 87 87 ? ? ? A . n C 1 88 VAL 88 88 ? ? ? A . n C 1 89 ASN 89 89 ? ? ? A . n C 1 90 ASN 90 90 ? ? ? A . n C 1 91 ASN 91 91 ? ? ? A . n C 1 92 MET 92 92 ? ? ? A . n C 1 93 LEU 93 93 ? ? ? A . n C 1 94 ILE 94 94 ? ? ? A . n C 1 95 GLY 95 95 ? ? ? A . n C 1 96 SER 96 96 ? ? ? A . n C 1 97 VAL 97 97 ? ? ? A . n C 1 98 ILE 98 98 ? ? ? A . n C 1 99 LEU 99 99 ? ? ? A . n C 1 100 ASN 100 100 ? ? ? A . n C 1 101 ASN 101 101 ? ? ? A . n C 1 102 LYS 102 102 ? ? ? A . n C 1 103 SER 103 103 ? ? ? A . n C 1 104 PRO 104 104 ? ? ? A . n C 1 105 ILE 105 105 ? ? ? A . n C 1 106 ASN 106 106 ? ? ? A . n C 1 107 GLY 107 107 ? ? ? A . n C 1 108 ILE 108 108 ? ? ? A . n C 1 109 SER 109 109 ? ? ? A . n C 1 110 ASN 110 110 ? ? ? A . n C 1 111 ALA 111 111 ? ? ? A . n C 1 112 ARG 112 112 ? ? ? A . n C 1 113 ASN 113 113 ? ? ? A . n C 1 114 TRP 114 114 ? ? ? A . n C 1 115 ASP 115 115 ? ? ? A . n C 1 116 ASN 116 116 ? ? ? A . n C 1 117 PRO 117 117 ? ? ? A . n C 1 118 ALA 118 118 ? ? ? A . n C 1 119 TYR 119 119 ? ? ? A . n C 1 120 GLN 120 120 ? ? ? A . n C 1 121 ASP 121 121 ? ? ? A . n C 1 122 THR 122 122 ? ? ? A . n C 1 123 LEU 123 123 123 LEU LEU A . n C 1 124 SER 124 124 124 SER SER A . n C 1 125 PRO 125 125 125 PRO PRO A . n C 1 126 ILE 126 126 126 ILE ILE A . n C 1 127 ASN 127 127 127 ASN ASN A . n C 1 128 ASP 128 128 128 ASP ASP A . n C 1 129 PRO 129 129 129 PRO PRO A . n C 1 130 LEU 130 130 130 LEU LEU A . n C 1 131 LEU 131 131 131 LEU LEU A . n C 1 132 MET 132 132 132 MET MET A . n C 1 133 SER 133 133 133 SER SER A . n C 1 134 ILE 134 134 134 ILE ILE A . n C 1 135 LEU 135 135 135 LEU LEU A . n C 1 136 ASN 136 136 136 ASN ASN A . n C 1 137 ARG 137 137 137 ARG ARG A . n C 1 138 LEU 138 138 138 LEU LEU A . n C 1 139 GLN 139 139 139 GLN GLN A . n C 1 140 PHE 140 140 140 PHE PHE A . n C 1 141 ASN 141 141 141 ASN ASN A . n C 1 142 LEU 142 142 142 LEU LEU A . n C 1 143 ASN 143 143 143 ASN ASN A . n C 1 144 ASN 144 144 144 ASN ASN A . n C 1 145 ASP 145 145 145 ASP ASP A . n C 1 146 ILE 146 146 146 ILE ILE A . n C 1 147 GLN 147 147 147 GLN GLN A . n C 1 148 LEU 148 148 148 LEU LEU A . n C 1 149 LYS 149 149 149 LYS LYS A . n C 1 150 THR 150 150 150 THR THR A . n C 1 151 GLU 151 151 151 GLU GLU A . n C 1 152 GLY 152 152 ? ? ? A . n C 1 153 GLY 153 153 ? ? ? A . n C 1 154 LYS 154 154 ? ? ? A . n C 1 155 ASN 155 155 ? ? ? A . n C 1 156 SER 156 156 ? ? ? A . n C 1 157 LYS 157 157 ? ? ? A . n C 1 158 ASN 158 158 ? ? ? A . n C 1 159 SER 159 159 ? ? ? A . n C 1 160 GLU 160 160 ? ? ? A . n C 1 161 MET 161 161 ? ? ? A . n C 1 162 LYS 162 162 ? ? ? A . n C 1 163 ILE 163 163 ? ? ? A . n C 1 164 ASN 164 164 ? ? ? A . n C 1 165 LEU 165 165 ? ? ? A . n C 1 166 ARG 166 166 ? ? ? A . n C 1 167 LEU 167 167 ? ? ? A . n C 1 168 GLU 168 168 ? ? ? A . n C 1 169 GLN 169 169 ? ? ? A . n C 1 170 PHE 170 170 ? ? ? A . n C 1 171 LYS 171 171 ? ? ? A . n C 1 172 LYS 172 172 ? ? ? A . n C 1 173 GLU 173 173 ? ? ? A . n C 1 174 LEU 174 174 ? ? ? A . n C 1 175 VAL 175 175 ? ? ? A . n C 1 176 LEU 176 176 ? ? ? A . n C 1 177 TYR 177 177 ? ? ? A . n C 1 178 GLU 178 178 ? ? ? A . n C 1 179 GLN 179 179 ? ? ? A . n C 1 180 LYS 180 180 ? ? ? A . n C 1 181 LYS 181 181 ? ? ? A . n C 1 182 PHE 182 182 ? ? ? A . n C 1 183 LYS 183 183 ? ? ? A . n C 1 184 GLU 184 184 ? ? ? A . n C 1 185 TYR 185 185 ? ? ? A . n C 1 186 GLY 186 186 ? ? ? A . n C 1 187 MET 187 187 ? ? ? A . n C 1 188 LYS 188 188 ? ? ? A . n C 1 189 ILE 189 189 ? ? ? A . n C 1 190 ASP 190 190 ? ? ? A . n C 1 191 GLU 191 191 ? ? ? A . n C 1 192 ILE 192 192 ? ? ? A . n C 1 193 THR 193 193 ? ? ? A . n C 1 194 LYS 194 194 ? ? ? A . n C 1 195 GLU 195 195 ? ? ? A . n C 1 196 ASN 196 196 ? ? ? A . n C 1 197 LYS 197 197 ? ? ? A . n C 1 198 LYS 198 198 ? ? ? A . n C 1 199 LEU 199 199 ? ? ? A . n C 1 200 ALA 200 200 ? ? ? A . n C 1 201 ASN 201 201 ? ? ? A . n C 1 202 GLU 202 202 ? ? ? A . n C 1 203 ILE 203 203 ? ? ? A . n C 1 204 GLY 204 204 ? ? ? A . n C 1 205 ARG 205 205 ? ? ? A . n C 1 206 LEU 206 206 ? ? ? A . n C 1 207 ARG 207 207 ? ? ? A . n C 1 208 GLU 208 208 ? ? ? A . n C 1 209 ARG 209 209 ? ? ? A . n C 1 210 TRP 210 210 ? ? ? A . n C 1 211 ASP 211 211 ? ? ? A . n C 1 212 SER 212 212 ? ? ? A . n C 1 213 LEU 213 213 ? ? ? A . n C 1 214 VAL 214 214 ? ? ? A . n C 1 215 GLU 215 215 ? ? ? A . n C 1 216 SER 216 216 ? ? ? A . n C 1 217 ALA 217 217 ? ? ? A . n C 1 218 LYS 218 218 ? ? ? A . n C 1 219 GLN 219 219 ? ? ? A . n C 1 220 ARG 220 220 ? ? ? A . n C 1 221 ARG 221 221 ? ? ? A . n C 1 222 ASP 222 222 ? ? ? A . n C 1 223 LYS 223 223 ? ? ? A . n C 1 224 GLN 224 224 ? ? ? A . n C 1 225 LYS 225 225 ? ? ? A . n C 1 226 ASN 226 226 ? ? ? A . n D 1 1 MET 1 1 ? ? ? B . n D 1 2 SER 2 2 ? ? ? B . n D 1 3 THR 3 3 ? ? ? B . n D 1 4 LEU 4 4 ? ? ? B . n D 1 5 ALA 5 5 ? ? ? B . n D 1 6 GLU 6 6 ? ? ? B . n D 1 7 VAL 7 7 ? ? ? B . n D 1 8 TYR 8 8 ? ? ? B . n D 1 9 THR 9 9 ? ? ? B . n D 1 10 ILE 10 10 ? ? ? B . n D 1 11 ILE 11 11 ? ? ? B . n D 1 12 GLU 12 12 ? ? ? B . n D 1 13 ASP 13 13 ? ? ? B . n D 1 14 ALA 14 14 ? ? ? B . n D 1 15 GLU 15 15 ? ? ? B . n D 1 16 GLN 16 16 ? ? ? B . n D 1 17 GLU 17 17 ? ? ? B . n D 1 18 CYS 18 18 ? ? ? B . n D 1 19 ARG 19 19 ? ? ? B . n D 1 20 LYS 20 20 ? ? ? B . n D 1 21 GLY 21 21 ? ? ? B . n D 1 22 ASP 22 22 ? ? ? B . n D 1 23 PHE 23 23 ? ? ? B . n D 1 24 THR 24 24 ? ? ? B . n D 1 25 ASN 25 25 ? ? ? B . n D 1 26 ALA 26 26 ? ? ? B . n D 1 27 LYS 27 27 ? ? ? B . n D 1 28 ALA 28 28 ? ? ? B . n D 1 29 LYS 29 29 ? ? ? B . n D 1 30 TYR 30 30 ? ? ? B . n D 1 31 GLN 31 31 ? ? ? B . n D 1 32 GLU 32 32 ? ? ? B . n D 1 33 ALA 33 33 ? ? ? B . n D 1 34 ILE 34 34 ? ? ? B . n D 1 35 GLU 35 35 ? ? ? B . n D 1 36 VAL 36 36 ? ? ? B . n D 1 37 LEU 37 37 ? ? ? B . n D 1 38 GLY 38 38 ? ? ? B . n D 1 39 PRO 39 39 ? ? ? B . n D 1 40 GLN 40 40 ? ? ? B . n D 1 41 ASN 41 41 ? ? ? B . n D 1 42 GLU 42 42 ? ? ? B . n D 1 43 ASN 43 43 ? ? ? B . n D 1 44 LEU 44 44 ? ? ? B . n D 1 45 SER 45 45 ? ? ? B . n D 1 46 GLN 46 46 ? ? ? B . n D 1 47 ASN 47 47 ? ? ? B . n D 1 48 LYS 48 48 ? ? ? B . n D 1 49 LEU 49 49 ? ? ? B . n D 1 50 SER 50 50 ? ? ? B . n D 1 51 SER 51 51 ? ? ? B . n D 1 52 ASP 52 52 ? ? ? B . n D 1 53 VAL 53 53 ? ? ? B . n D 1 54 THR 54 54 ? ? ? B . n D 1 55 GLN 55 55 ? ? ? B . n D 1 56 ALA 56 56 ? ? ? B . n D 1 57 ILE 57 57 ? ? ? B . n D 1 58 ASP 58 58 ? ? ? B . n D 1 59 LEU 59 59 ? ? ? B . n D 1 60 LEU 60 60 ? ? ? B . n D 1 61 LYS 61 61 ? ? ? B . n D 1 62 GLN 62 62 ? ? ? B . n D 1 63 ASP 63 63 ? ? ? B . n D 1 64 ILE 64 64 ? ? ? B . n D 1 65 THR 65 65 ? ? ? B . n D 1 66 ALA 66 66 ? ? ? B . n D 1 67 LYS 67 67 ? ? ? B . n D 1 68 ILE 68 68 ? ? ? B . n D 1 69 GLN 69 69 ? ? ? B . n D 1 70 GLU 70 70 ? ? ? B . n D 1 71 LEU 71 71 ? ? ? B . n D 1 72 GLU 72 72 ? ? ? B . n D 1 73 LEU 73 73 ? ? ? B . n D 1 74 LEU 74 74 ? ? ? B . n D 1 75 ILE 75 75 ? ? ? B . n D 1 76 GLU 76 76 ? ? ? B . n D 1 77 LYS 77 77 ? ? ? B . n D 1 78 GLN 78 78 ? ? ? B . n D 1 79 SER 79 79 ? ? ? B . n D 1 80 SER 80 80 ? ? ? B . n D 1 81 GLU 81 81 ? ? ? B . n D 1 82 GLU 82 82 ? ? ? B . n D 1 83 ASN 83 83 ? ? ? B . n D 1 84 ASN 84 84 ? ? ? B . n D 1 85 ILE 85 85 ? ? ? B . n D 1 86 GLY 86 86 ? ? ? B . n D 1 87 MET 87 87 ? ? ? B . n D 1 88 VAL 88 88 ? ? ? B . n D 1 89 ASN 89 89 ? ? ? B . n D 1 90 ASN 90 90 ? ? ? B . n D 1 91 ASN 91 91 ? ? ? B . n D 1 92 MET 92 92 ? ? ? B . n D 1 93 LEU 93 93 ? ? ? B . n D 1 94 ILE 94 94 ? ? ? B . n D 1 95 GLY 95 95 ? ? ? B . n D 1 96 SER 96 96 ? ? ? B . n D 1 97 VAL 97 97 ? ? ? B . n D 1 98 ILE 98 98 ? ? ? B . n D 1 99 LEU 99 99 ? ? ? B . n D 1 100 ASN 100 100 ? ? ? B . n D 1 101 ASN 101 101 ? ? ? B . n D 1 102 LYS 102 102 ? ? ? B . n D 1 103 SER 103 103 ? ? ? B . n D 1 104 PRO 104 104 ? ? ? B . n D 1 105 ILE 105 105 ? ? ? B . n D 1 106 ASN 106 106 ? ? ? B . n D 1 107 GLY 107 107 ? ? ? B . n D 1 108 ILE 108 108 ? ? ? B . n D 1 109 SER 109 109 ? ? ? B . n D 1 110 ASN 110 110 ? ? ? B . n D 1 111 ALA 111 111 ? ? ? B . n D 1 112 ARG 112 112 ? ? ? B . n D 1 113 ASN 113 113 ? ? ? B . n D 1 114 TRP 114 114 ? ? ? B . n D 1 115 ASP 115 115 ? ? ? B . n D 1 116 ASN 116 116 ? ? ? B . n D 1 117 PRO 117 117 ? ? ? B . n D 1 118 ALA 118 118 ? ? ? B . n D 1 119 TYR 119 119 ? ? ? B . n D 1 120 GLN 120 120 ? ? ? B . n D 1 121 ASP 121 121 ? ? ? B . n D 1 122 THR 122 122 ? ? ? B . n D 1 123 LEU 123 123 ? ? ? B . n D 1 124 SER 124 124 ? ? ? B . n D 1 125 PRO 125 125 ? ? ? B . n D 1 126 ILE 126 126 ? ? ? B . n D 1 127 ASN 127 127 ? ? ? B . n D 1 128 ASP 128 128 ? ? ? B . n D 1 129 PRO 129 129 ? ? ? B . n D 1 130 LEU 130 130 ? ? ? B . n D 1 131 LEU 131 131 ? ? ? B . n D 1 132 MET 132 132 ? ? ? B . n D 1 133 SER 133 133 ? ? ? B . n D 1 134 ILE 134 134 ? ? ? B . n D 1 135 LEU 135 135 ? ? ? B . n D 1 136 ASN 136 136 ? ? ? B . n D 1 137 ARG 137 137 ? ? ? B . n D 1 138 LEU 138 138 ? ? ? B . n D 1 139 GLN 139 139 ? ? ? B . n D 1 140 PHE 140 140 ? ? ? B . n D 1 141 ASN 141 141 ? ? ? B . n D 1 142 LEU 142 142 ? ? ? B . n D 1 143 ASN 143 143 ? ? ? B . n D 1 144 ASN 144 144 ? ? ? B . n D 1 145 ASP 145 145 ? ? ? B . n D 1 146 ILE 146 146 ? ? ? B . n D 1 147 GLN 147 147 ? ? ? B . n D 1 148 LEU 148 148 ? ? ? B . n D 1 149 LYS 149 149 ? ? ? B . n D 1 150 THR 150 150 ? ? ? B . n D 1 151 GLU 151 151 ? ? ? B . n D 1 152 GLY 152 152 ? ? ? B . n D 1 153 GLY 153 153 ? ? ? B . n D 1 154 LYS 154 154 ? ? ? B . n D 1 155 ASN 155 155 155 ASN ASN B . n D 1 156 SER 156 156 156 SER SER B . n D 1 157 LYS 157 157 157 LYS LYS B . n D 1 158 ASN 158 158 158 ASN ASN B . n D 1 159 SER 159 159 159 SER SER B . n D 1 160 GLU 160 160 160 GLU GLU B . n D 1 161 MET 161 161 161 MET MET B . n D 1 162 LYS 162 162 162 LYS LYS B . n D 1 163 ILE 163 163 163 ILE ILE B . n D 1 164 ASN 164 164 164 ASN ASN B . n D 1 165 LEU 165 165 165 LEU LEU B . n D 1 166 ARG 166 166 166 ARG ARG B . n D 1 167 LEU 167 167 167 LEU LEU B . n D 1 168 GLU 168 168 168 GLU GLU B . n D 1 169 GLN 169 169 169 GLN GLN B . n D 1 170 PHE 170 170 170 PHE PHE B . n D 1 171 LYS 171 171 171 LYS LYS B . n D 1 172 LYS 172 172 172 LYS LYS B . n D 1 173 GLU 173 173 173 GLU GLU B . n D 1 174 LEU 174 174 174 LEU LEU B . n D 1 175 VAL 175 175 175 VAL VAL B . n D 1 176 LEU 176 176 176 LEU LEU B . n D 1 177 TYR 177 177 177 TYR TYR B . n D 1 178 GLU 178 178 178 GLU GLU B . n D 1 179 GLN 179 179 179 GLN GLN B . n D 1 180 LYS 180 180 180 LYS LYS B . n D 1 181 LYS 181 181 181 LYS LYS B . n D 1 182 PHE 182 182 182 PHE PHE B . n D 1 183 LYS 183 183 183 LYS LYS B . n D 1 184 GLU 184 184 184 GLU GLU B . n D 1 185 TYR 185 185 185 TYR TYR B . n D 1 186 GLY 186 186 186 GLY GLY B . n D 1 187 MET 187 187 187 MET MET B . n D 1 188 LYS 188 188 188 LYS LYS B . n D 1 189 ILE 189 189 189 ILE ILE B . n D 1 190 ASP 190 190 190 ASP ASP B . n D 1 191 GLU 191 191 191 GLU GLU B . n D 1 192 ILE 192 192 192 ILE ILE B . n D 1 193 THR 193 193 193 THR THR B . n D 1 194 LYS 194 194 194 LYS LYS B . n D 1 195 GLU 195 195 195 GLU GLU B . n D 1 196 ASN 196 196 196 ASN ASN B . n D 1 197 LYS 197 197 197 LYS LYS B . n D 1 198 LYS 198 198 198 LYS LYS B . n D 1 199 LEU 199 199 199 LEU LEU B . n D 1 200 ALA 200 200 200 ALA ALA B . n D 1 201 ASN 201 201 201 ASN ASN B . n D 1 202 GLU 202 202 202 GLU GLU B . n D 1 203 ILE 203 203 203 ILE ILE B . n D 1 204 GLY 204 204 204 GLY GLY B . n D 1 205 ARG 205 205 205 ARG ARG B . n D 1 206 LEU 206 206 206 LEU LEU B . n D 1 207 ARG 207 207 207 ARG ARG B . n D 1 208 GLU 208 208 208 GLU GLU B . n D 1 209 ARG 209 209 209 ARG ARG B . n D 1 210 TRP 210 210 210 TRP TRP B . n D 1 211 ASP 211 211 211 ASP ASP B . n D 1 212 SER 212 212 ? ? ? B . n D 1 213 LEU 213 213 ? ? ? B . n D 1 214 VAL 214 214 ? ? ? B . n D 1 215 GLU 215 215 ? ? ? B . n D 1 216 SER 216 216 ? ? ? B . n D 1 217 ALA 217 217 ? ? ? B . n D 1 218 LYS 218 218 ? ? ? B . n D 1 219 GLN 219 219 ? ? ? B . n D 1 220 ARG 220 220 ? ? ? B . n D 1 221 ARG 221 221 ? ? ? B . n D 1 222 ASP 222 222 ? ? ? B . n D 1 223 LYS 223 223 ? ? ? B . n D 1 224 GLN 224 224 ? ? ? B . n D 1 225 LYS 225 225 ? ? ? B . n D 1 226 ASN 226 226 ? ? ? B . n E 1 1 MET 1 1 ? ? ? G . n E 1 2 SER 2 2 ? ? ? G . n E 1 3 THR 3 3 ? ? ? G . n E 1 4 LEU 4 4 ? ? ? G . n E 1 5 ALA 5 5 ? ? ? G . n E 1 6 GLU 6 6 ? ? ? G . n E 1 7 VAL 7 7 ? ? ? G . n E 1 8 TYR 8 8 ? ? ? G . n E 1 9 THR 9 9 ? ? ? G . n E 1 10 ILE 10 10 ? ? ? G . n E 1 11 ILE 11 11 ? ? ? G . n E 1 12 GLU 12 12 ? ? ? G . n E 1 13 ASP 13 13 ? ? ? G . n E 1 14 ALA 14 14 ? ? ? G . n E 1 15 GLU 15 15 ? ? ? G . n E 1 16 GLN 16 16 ? ? ? G . n E 1 17 GLU 17 17 ? ? ? G . n E 1 18 CYS 18 18 ? ? ? G . n E 1 19 ARG 19 19 ? ? ? G . n E 1 20 LYS 20 20 ? ? ? G . n E 1 21 GLY 21 21 ? ? ? G . n E 1 22 ASP 22 22 ? ? ? G . n E 1 23 PHE 23 23 ? ? ? G . n E 1 24 THR 24 24 ? ? ? G . n E 1 25 ASN 25 25 ? ? ? G . n E 1 26 ALA 26 26 ? ? ? G . n E 1 27 LYS 27 27 ? ? ? G . n E 1 28 ALA 28 28 ? ? ? G . n E 1 29 LYS 29 29 ? ? ? G . n E 1 30 TYR 30 30 ? ? ? G . n E 1 31 GLN 31 31 ? ? ? G . n E 1 32 GLU 32 32 ? ? ? G . n E 1 33 ALA 33 33 ? ? ? G . n E 1 34 ILE 34 34 ? ? ? G . n E 1 35 GLU 35 35 ? ? ? G . n E 1 36 VAL 36 36 ? ? ? G . n E 1 37 LEU 37 37 ? ? ? G . n E 1 38 GLY 38 38 ? ? ? G . n E 1 39 PRO 39 39 ? ? ? G . n E 1 40 GLN 40 40 ? ? ? G . n E 1 41 ASN 41 41 ? ? ? G . n E 1 42 GLU 42 42 ? ? ? G . n E 1 43 ASN 43 43 ? ? ? G . n E 1 44 LEU 44 44 ? ? ? G . n E 1 45 SER 45 45 ? ? ? G . n E 1 46 GLN 46 46 ? ? ? G . n E 1 47 ASN 47 47 ? ? ? G . n E 1 48 LYS 48 48 ? ? ? G . n E 1 49 LEU 49 49 ? ? ? G . n E 1 50 SER 50 50 ? ? ? G . n E 1 51 SER 51 51 ? ? ? G . n E 1 52 ASP 52 52 ? ? ? G . n E 1 53 VAL 53 53 ? ? ? G . n E 1 54 THR 54 54 ? ? ? G . n E 1 55 GLN 55 55 ? ? ? G . n E 1 56 ALA 56 56 ? ? ? G . n E 1 57 ILE 57 57 ? ? ? G . n E 1 58 ASP 58 58 ? ? ? G . n E 1 59 LEU 59 59 ? ? ? G . n E 1 60 LEU 60 60 ? ? ? G . n E 1 61 LYS 61 61 ? ? ? G . n E 1 62 GLN 62 62 ? ? ? G . n E 1 63 ASP 63 63 ? ? ? G . n E 1 64 ILE 64 64 ? ? ? G . n E 1 65 THR 65 65 ? ? ? G . n E 1 66 ALA 66 66 ? ? ? G . n E 1 67 LYS 67 67 ? ? ? G . n E 1 68 ILE 68 68 ? ? ? G . n E 1 69 GLN 69 69 ? ? ? G . n E 1 70 GLU 70 70 ? ? ? G . n E 1 71 LEU 71 71 ? ? ? G . n E 1 72 GLU 72 72 ? ? ? G . n E 1 73 LEU 73 73 ? ? ? G . n E 1 74 LEU 74 74 ? ? ? G . n E 1 75 ILE 75 75 ? ? ? G . n E 1 76 GLU 76 76 ? ? ? G . n E 1 77 LYS 77 77 ? ? ? G . n E 1 78 GLN 78 78 ? ? ? G . n E 1 79 SER 79 79 ? ? ? G . n E 1 80 SER 80 80 ? ? ? G . n E 1 81 GLU 81 81 ? ? ? G . n E 1 82 GLU 82 82 ? ? ? G . n E 1 83 ASN 83 83 ? ? ? G . n E 1 84 ASN 84 84 ? ? ? G . n E 1 85 ILE 85 85 ? ? ? G . n E 1 86 GLY 86 86 ? ? ? G . n E 1 87 MET 87 87 ? ? ? G . n E 1 88 VAL 88 88 ? ? ? G . n E 1 89 ASN 89 89 ? ? ? G . n E 1 90 ASN 90 90 ? ? ? G . n E 1 91 ASN 91 91 ? ? ? G . n E 1 92 MET 92 92 ? ? ? G . n E 1 93 LEU 93 93 ? ? ? G . n E 1 94 ILE 94 94 ? ? ? G . n E 1 95 GLY 95 95 ? ? ? G . n E 1 96 SER 96 96 ? ? ? G . n E 1 97 VAL 97 97 ? ? ? G . n E 1 98 ILE 98 98 ? ? ? G . n E 1 99 LEU 99 99 ? ? ? G . n E 1 100 ASN 100 100 ? ? ? G . n E 1 101 ASN 101 101 ? ? ? G . n E 1 102 LYS 102 102 ? ? ? G . n E 1 103 SER 103 103 ? ? ? G . n E 1 104 PRO 104 104 ? ? ? G . n E 1 105 ILE 105 105 ? ? ? G . n E 1 106 ASN 106 106 ? ? ? G . n E 1 107 GLY 107 107 ? ? ? G . n E 1 108 ILE 108 108 ? ? ? G . n E 1 109 SER 109 109 ? ? ? G . n E 1 110 ASN 110 110 ? ? ? G . n E 1 111 ALA 111 111 ? ? ? G . n E 1 112 ARG 112 112 ? ? ? G . n E 1 113 ASN 113 113 ? ? ? G . n E 1 114 TRP 114 114 ? ? ? G . n E 1 115 ASP 115 115 ? ? ? G . n E 1 116 ASN 116 116 ? ? ? G . n E 1 117 PRO 117 117 ? ? ? G . n E 1 118 ALA 118 118 ? ? ? G . n E 1 119 TYR 119 119 ? ? ? G . n E 1 120 GLN 120 120 120 GLN GLN G . n E 1 121 ASP 121 121 121 ASP ASP G . n E 1 122 THR 122 122 122 THR THR G . n E 1 123 LEU 123 123 123 LEU LEU G . n E 1 124 SER 124 124 124 SER SER G . n E 1 125 PRO 125 125 125 PRO PRO G . n E 1 126 ILE 126 126 126 ILE ILE G . n E 1 127 ASN 127 127 127 ASN ASN G . n E 1 128 ASP 128 128 128 ASP ASP G . n E 1 129 PRO 129 129 129 PRO PRO G . n E 1 130 LEU 130 130 130 LEU LEU G . n E 1 131 LEU 131 131 131 LEU LEU G . n E 1 132 MET 132 132 132 MET MET G . n E 1 133 SER 133 133 133 SER SER G . n E 1 134 ILE 134 134 134 ILE ILE G . n E 1 135 LEU 135 135 135 LEU LEU G . n E 1 136 ASN 136 136 136 ASN ASN G . n E 1 137 ARG 137 137 137 ARG ARG G . n E 1 138 LEU 138 138 138 LEU LEU G . n E 1 139 GLN 139 139 139 GLN GLN G . n E 1 140 PHE 140 140 140 PHE PHE G . n E 1 141 ASN 141 141 141 ASN ASN G . n E 1 142 LEU 142 142 142 LEU LEU G . n E 1 143 ASN 143 143 143 ASN ASN G . n E 1 144 ASN 144 144 144 ASN ASN G . n E 1 145 ASP 145 145 145 ASP ASP G . n E 1 146 ILE 146 146 146 ILE ILE G . n E 1 147 GLN 147 147 147 GLN GLN G . n E 1 148 LEU 148 148 148 LEU LEU G . n E 1 149 LYS 149 149 149 LYS LYS G . n E 1 150 THR 150 150 150 THR THR G . n E 1 151 GLU 151 151 151 GLU GLU G . n E 1 152 GLY 152 152 152 GLY GLY G . n E 1 153 GLY 153 153 ? ? ? G . n E 1 154 LYS 154 154 ? ? ? G . n E 1 155 ASN 155 155 ? ? ? G . n E 1 156 SER 156 156 ? ? ? G . n E 1 157 LYS 157 157 ? ? ? G . n E 1 158 ASN 158 158 ? ? ? G . n E 1 159 SER 159 159 ? ? ? G . n E 1 160 GLU 160 160 ? ? ? G . n E 1 161 MET 161 161 ? ? ? G . n E 1 162 LYS 162 162 ? ? ? G . n E 1 163 ILE 163 163 ? ? ? G . n E 1 164 ASN 164 164 ? ? ? G . n E 1 165 LEU 165 165 ? ? ? G . n E 1 166 ARG 166 166 ? ? ? G . n E 1 167 LEU 167 167 ? ? ? G . n E 1 168 GLU 168 168 ? ? ? G . n E 1 169 GLN 169 169 ? ? ? G . n E 1 170 PHE 170 170 ? ? ? G . n E 1 171 LYS 171 171 ? ? ? G . n E 1 172 LYS 172 172 ? ? ? G . n E 1 173 GLU 173 173 ? ? ? G . n E 1 174 LEU 174 174 ? ? ? G . n E 1 175 VAL 175 175 ? ? ? G . n E 1 176 LEU 176 176 ? ? ? G . n E 1 177 TYR 177 177 ? ? ? G . n E 1 178 GLU 178 178 ? ? ? G . n E 1 179 GLN 179 179 ? ? ? G . n E 1 180 LYS 180 180 ? ? ? G . n E 1 181 LYS 181 181 ? ? ? G . n E 1 182 PHE 182 182 ? ? ? G . n E 1 183 LYS 183 183 ? ? ? G . n E 1 184 GLU 184 184 ? ? ? G . n E 1 185 TYR 185 185 ? ? ? G . n E 1 186 GLY 186 186 ? ? ? G . n E 1 187 MET 187 187 ? ? ? G . n E 1 188 LYS 188 188 ? ? ? G . n E 1 189 ILE 189 189 ? ? ? G . n E 1 190 ASP 190 190 ? ? ? G . n E 1 191 GLU 191 191 ? ? ? G . n E 1 192 ILE 192 192 ? ? ? G . n E 1 193 THR 193 193 ? ? ? G . n E 1 194 LYS 194 194 ? ? ? G . n E 1 195 GLU 195 195 ? ? ? G . n E 1 196 ASN 196 196 ? ? ? G . n E 1 197 LYS 197 197 ? ? ? G . n E 1 198 LYS 198 198 ? ? ? G . n E 1 199 LEU 199 199 ? ? ? G . n E 1 200 ALA 200 200 ? ? ? G . n E 1 201 ASN 201 201 ? ? ? G . n E 1 202 GLU 202 202 ? ? ? G . n E 1 203 ILE 203 203 ? ? ? G . n E 1 204 GLY 204 204 ? ? ? G . n E 1 205 ARG 205 205 ? ? ? G . n E 1 206 LEU 206 206 ? ? ? G . n E 1 207 ARG 207 207 ? ? ? G . n E 1 208 GLU 208 208 ? ? ? G . n E 1 209 ARG 209 209 ? ? ? G . n E 1 210 TRP 210 210 ? ? ? G . n E 1 211 ASP 211 211 ? ? ? G . n E 1 212 SER 212 212 ? ? ? G . n E 1 213 LEU 213 213 ? ? ? G . n E 1 214 VAL 214 214 ? ? ? G . n E 1 215 GLU 215 215 ? ? ? G . n E 1 216 SER 216 216 ? ? ? G . n E 1 217 ALA 217 217 ? ? ? G . n E 1 218 LYS 218 218 ? ? ? G . n E 1 219 GLN 219 219 ? ? ? G . n E 1 220 ARG 220 220 ? ? ? G . n E 1 221 ARG 221 221 ? ? ? G . n E 1 222 ASP 222 222 ? ? ? G . n E 1 223 LYS 223 223 ? ? ? G . n E 1 224 GLN 224 224 ? ? ? G . n E 1 225 LYS 225 225 ? ? ? G . n E 1 226 ASN 226 226 ? ? ? G . n F 1 1 MET 1 1 ? ? ? H . n F 1 2 SER 2 2 ? ? ? H . n F 1 3 THR 3 3 ? ? ? H . n F 1 4 LEU 4 4 ? ? ? H . n F 1 5 ALA 5 5 ? ? ? H . n F 1 6 GLU 6 6 ? ? ? H . n F 1 7 VAL 7 7 ? ? ? H . n F 1 8 TYR 8 8 ? ? ? H . n F 1 9 THR 9 9 ? ? ? H . n F 1 10 ILE 10 10 ? ? ? H . n F 1 11 ILE 11 11 ? ? ? H . n F 1 12 GLU 12 12 ? ? ? H . n F 1 13 ASP 13 13 ? ? ? H . n F 1 14 ALA 14 14 ? ? ? H . n F 1 15 GLU 15 15 ? ? ? H . n F 1 16 GLN 16 16 ? ? ? H . n F 1 17 GLU 17 17 ? ? ? H . n F 1 18 CYS 18 18 ? ? ? H . n F 1 19 ARG 19 19 ? ? ? H . n F 1 20 LYS 20 20 ? ? ? H . n F 1 21 GLY 21 21 ? ? ? H . n F 1 22 ASP 22 22 ? ? ? H . n F 1 23 PHE 23 23 ? ? ? H . n F 1 24 THR 24 24 ? ? ? H . n F 1 25 ASN 25 25 ? ? ? H . n F 1 26 ALA 26 26 ? ? ? H . n F 1 27 LYS 27 27 ? ? ? H . n F 1 28 ALA 28 28 ? ? ? H . n F 1 29 LYS 29 29 ? ? ? H . n F 1 30 TYR 30 30 ? ? ? H . n F 1 31 GLN 31 31 ? ? ? H . n F 1 32 GLU 32 32 ? ? ? H . n F 1 33 ALA 33 33 ? ? ? H . n F 1 34 ILE 34 34 ? ? ? H . n F 1 35 GLU 35 35 ? ? ? H . n F 1 36 VAL 36 36 ? ? ? H . n F 1 37 LEU 37 37 ? ? ? H . n F 1 38 GLY 38 38 ? ? ? H . n F 1 39 PRO 39 39 ? ? ? H . n F 1 40 GLN 40 40 ? ? ? H . n F 1 41 ASN 41 41 ? ? ? H . n F 1 42 GLU 42 42 ? ? ? H . n F 1 43 ASN 43 43 ? ? ? H . n F 1 44 LEU 44 44 ? ? ? H . n F 1 45 SER 45 45 ? ? ? H . n F 1 46 GLN 46 46 ? ? ? H . n F 1 47 ASN 47 47 ? ? ? H . n F 1 48 LYS 48 48 ? ? ? H . n F 1 49 LEU 49 49 ? ? ? H . n F 1 50 SER 50 50 ? ? ? H . n F 1 51 SER 51 51 ? ? ? H . n F 1 52 ASP 52 52 ? ? ? H . n F 1 53 VAL 53 53 ? ? ? H . n F 1 54 THR 54 54 ? ? ? H . n F 1 55 GLN 55 55 ? ? ? H . n F 1 56 ALA 56 56 ? ? ? H . n F 1 57 ILE 57 57 ? ? ? H . n F 1 58 ASP 58 58 ? ? ? H . n F 1 59 LEU 59 59 ? ? ? H . n F 1 60 LEU 60 60 ? ? ? H . n F 1 61 LYS 61 61 ? ? ? H . n F 1 62 GLN 62 62 ? ? ? H . n F 1 63 ASP 63 63 ? ? ? H . n F 1 64 ILE 64 64 ? ? ? H . n F 1 65 THR 65 65 ? ? ? H . n F 1 66 ALA 66 66 ? ? ? H . n F 1 67 LYS 67 67 ? ? ? H . n F 1 68 ILE 68 68 ? ? ? H . n F 1 69 GLN 69 69 ? ? ? H . n F 1 70 GLU 70 70 ? ? ? H . n F 1 71 LEU 71 71 ? ? ? H . n F 1 72 GLU 72 72 ? ? ? H . n F 1 73 LEU 73 73 ? ? ? H . n F 1 74 LEU 74 74 ? ? ? H . n F 1 75 ILE 75 75 ? ? ? H . n F 1 76 GLU 76 76 ? ? ? H . n F 1 77 LYS 77 77 ? ? ? H . n F 1 78 GLN 78 78 ? ? ? H . n F 1 79 SER 79 79 ? ? ? H . n F 1 80 SER 80 80 ? ? ? H . n F 1 81 GLU 81 81 ? ? ? H . n F 1 82 GLU 82 82 ? ? ? H . n F 1 83 ASN 83 83 ? ? ? H . n F 1 84 ASN 84 84 ? ? ? H . n F 1 85 ILE 85 85 ? ? ? H . n F 1 86 GLY 86 86 ? ? ? H . n F 1 87 MET 87 87 ? ? ? H . n F 1 88 VAL 88 88 ? ? ? H . n F 1 89 ASN 89 89 ? ? ? H . n F 1 90 ASN 90 90 ? ? ? H . n F 1 91 ASN 91 91 ? ? ? H . n F 1 92 MET 92 92 ? ? ? H . n F 1 93 LEU 93 93 ? ? ? H . n F 1 94 ILE 94 94 ? ? ? H . n F 1 95 GLY 95 95 ? ? ? H . n F 1 96 SER 96 96 ? ? ? H . n F 1 97 VAL 97 97 ? ? ? H . n F 1 98 ILE 98 98 ? ? ? H . n F 1 99 LEU 99 99 ? ? ? H . n F 1 100 ASN 100 100 ? ? ? H . n F 1 101 ASN 101 101 ? ? ? H . n F 1 102 LYS 102 102 ? ? ? H . n F 1 103 SER 103 103 ? ? ? H . n F 1 104 PRO 104 104 ? ? ? H . n F 1 105 ILE 105 105 ? ? ? H . n F 1 106 ASN 106 106 ? ? ? H . n F 1 107 GLY 107 107 ? ? ? H . n F 1 108 ILE 108 108 ? ? ? H . n F 1 109 SER 109 109 ? ? ? H . n F 1 110 ASN 110 110 ? ? ? H . n F 1 111 ALA 111 111 ? ? ? H . n F 1 112 ARG 112 112 ? ? ? H . n F 1 113 ASN 113 113 ? ? ? H . n F 1 114 TRP 114 114 ? ? ? H . n F 1 115 ASP 115 115 ? ? ? H . n F 1 116 ASN 116 116 ? ? ? H . n F 1 117 PRO 117 117 ? ? ? H . n F 1 118 ALA 118 118 ? ? ? H . n F 1 119 TYR 119 119 ? ? ? H . n F 1 120 GLN 120 120 ? ? ? H . n F 1 121 ASP 121 121 ? ? ? H . n F 1 122 THR 122 122 ? ? ? H . n F 1 123 LEU 123 123 ? ? ? H . n F 1 124 SER 124 124 ? ? ? H . n F 1 125 PRO 125 125 ? ? ? H . n F 1 126 ILE 126 126 ? ? ? H . n F 1 127 ASN 127 127 ? ? ? H . n F 1 128 ASP 128 128 ? ? ? H . n F 1 129 PRO 129 129 ? ? ? H . n F 1 130 LEU 130 130 ? ? ? H . n F 1 131 LEU 131 131 ? ? ? H . n F 1 132 MET 132 132 ? ? ? H . n F 1 133 SER 133 133 ? ? ? H . n F 1 134 ILE 134 134 ? ? ? H . n F 1 135 LEU 135 135 ? ? ? H . n F 1 136 ASN 136 136 ? ? ? H . n F 1 137 ARG 137 137 ? ? ? H . n F 1 138 LEU 138 138 ? ? ? H . n F 1 139 GLN 139 139 ? ? ? H . n F 1 140 PHE 140 140 ? ? ? H . n F 1 141 ASN 141 141 ? ? ? H . n F 1 142 LEU 142 142 ? ? ? H . n F 1 143 ASN 143 143 ? ? ? H . n F 1 144 ASN 144 144 ? ? ? H . n F 1 145 ASP 145 145 ? ? ? H . n F 1 146 ILE 146 146 ? ? ? H . n F 1 147 GLN 147 147 ? ? ? H . n F 1 148 LEU 148 148 ? ? ? H . n F 1 149 LYS 149 149 ? ? ? H . n F 1 150 THR 150 150 ? ? ? H . n F 1 151 GLU 151 151 ? ? ? H . n F 1 152 GLY 152 152 ? ? ? H . n F 1 153 GLY 153 153 ? ? ? H . n F 1 154 LYS 154 154 ? ? ? H . n F 1 155 ASN 155 155 ? ? ? H . n F 1 156 SER 156 156 ? ? ? H . n F 1 157 LYS 157 157 ? ? ? H . n F 1 158 ASN 158 158 ? ? ? H . n F 1 159 SER 159 159 ? ? ? H . n F 1 160 GLU 160 160 ? ? ? H . n F 1 161 MET 161 161 161 MET MET H . n F 1 162 LYS 162 162 162 LYS LYS H . n F 1 163 ILE 163 163 163 ILE ILE H . n F 1 164 ASN 164 164 164 ASN ASN H . n F 1 165 LEU 165 165 165 LEU LEU H . n F 1 166 ARG 166 166 166 ARG ARG H . n F 1 167 LEU 167 167 167 LEU LEU H . n F 1 168 GLU 168 168 168 GLU GLU H . n F 1 169 GLN 169 169 169 GLN GLN H . n F 1 170 PHE 170 170 170 PHE PHE H . n F 1 171 LYS 171 171 171 LYS LYS H . n F 1 172 LYS 172 172 172 LYS LYS H . n F 1 173 GLU 173 173 173 GLU GLU H . n F 1 174 LEU 174 174 174 LEU LEU H . n F 1 175 VAL 175 175 175 VAL VAL H . n F 1 176 LEU 176 176 176 LEU LEU H . n F 1 177 TYR 177 177 177 TYR TYR H . n F 1 178 GLU 178 178 178 GLU GLU H . n F 1 179 GLN 179 179 179 GLN GLN H . n F 1 180 LYS 180 180 180 LYS LYS H . n F 1 181 LYS 181 181 181 LYS LYS H . n F 1 182 PHE 182 182 182 PHE PHE H . n F 1 183 LYS 183 183 183 LYS LYS H . n F 1 184 GLU 184 184 184 GLU GLU H . n F 1 185 TYR 185 185 185 TYR TYR H . n F 1 186 GLY 186 186 186 GLY GLY H . n F 1 187 MET 187 187 187 MET MET H . n F 1 188 LYS 188 188 188 LYS LYS H . n F 1 189 ILE 189 189 189 ILE ILE H . n F 1 190 ASP 190 190 190 ASP ASP H . n F 1 191 GLU 191 191 191 GLU GLU H . n F 1 192 ILE 192 192 192 ILE ILE H . n F 1 193 THR 193 193 193 THR THR H . n F 1 194 LYS 194 194 194 LYS LYS H . n F 1 195 GLU 195 195 195 GLU GLU H . n F 1 196 ASN 196 196 196 ASN ASN H . n F 1 197 LYS 197 197 197 LYS LYS H . n F 1 198 LYS 198 198 198 LYS LYS H . n F 1 199 LEU 199 199 199 LEU LEU H . n F 1 200 ALA 200 200 200 ALA ALA H . n F 1 201 ASN 201 201 201 ASN ASN H . n F 1 202 GLU 202 202 202 GLU GLU H . n F 1 203 ILE 203 203 203 ILE ILE H . n F 1 204 GLY 204 204 204 GLY GLY H . n F 1 205 ARG 205 205 205 ARG ARG H . n F 1 206 LEU 206 206 206 LEU LEU H . n F 1 207 ARG 207 207 207 ARG ARG H . n F 1 208 GLU 208 208 208 GLU GLU H . n F 1 209 ARG 209 209 209 ARG ARG H . n F 1 210 TRP 210 210 210 TRP TRP H . n F 1 211 ASP 211 211 211 ASP ASP H . n F 1 212 SER 212 212 212 SER SER H . n F 1 213 LEU 213 213 213 LEU LEU H . n F 1 214 VAL 214 214 ? ? ? H . n F 1 215 GLU 215 215 ? ? ? H . n F 1 216 SER 216 216 ? ? ? H . n F 1 217 ALA 217 217 ? ? ? H . n F 1 218 LYS 218 218 ? ? ? H . n F 1 219 GLN 219 219 ? ? ? H . n F 1 220 ARG 220 220 ? ? ? H . n F 1 221 ARG 221 221 ? ? ? H . n F 1 222 ASP 222 222 ? ? ? H . n F 1 223 LYS 223 223 ? ? ? H . n F 1 224 GLN 224 224 ? ? ? H . n F 1 225 LYS 225 225 ? ? ? H . n F 1 226 ASN 226 226 ? ? ? H . n G 1 1 MET 1 1 ? ? ? K . n G 1 2 SER 2 2 ? ? ? K . n G 1 3 THR 3 3 ? ? ? K . n G 1 4 LEU 4 4 ? ? ? K . n G 1 5 ALA 5 5 ? ? ? K . n G 1 6 GLU 6 6 ? ? ? K . n G 1 7 VAL 7 7 ? ? ? K . n G 1 8 TYR 8 8 ? ? ? K . n G 1 9 THR 9 9 ? ? ? K . n G 1 10 ILE 10 10 ? ? ? K . n G 1 11 ILE 11 11 ? ? ? K . n G 1 12 GLU 12 12 ? ? ? K . n G 1 13 ASP 13 13 ? ? ? K . n G 1 14 ALA 14 14 ? ? ? K . n G 1 15 GLU 15 15 ? ? ? K . n G 1 16 GLN 16 16 ? ? ? K . n G 1 17 GLU 17 17 ? ? ? K . n G 1 18 CYS 18 18 ? ? ? K . n G 1 19 ARG 19 19 ? ? ? K . n G 1 20 LYS 20 20 ? ? ? K . n G 1 21 GLY 21 21 ? ? ? K . n G 1 22 ASP 22 22 ? ? ? K . n G 1 23 PHE 23 23 ? ? ? K . n G 1 24 THR 24 24 ? ? ? K . n G 1 25 ASN 25 25 ? ? ? K . n G 1 26 ALA 26 26 ? ? ? K . n G 1 27 LYS 27 27 ? ? ? K . n G 1 28 ALA 28 28 ? ? ? K . n G 1 29 LYS 29 29 ? ? ? K . n G 1 30 TYR 30 30 ? ? ? K . n G 1 31 GLN 31 31 ? ? ? K . n G 1 32 GLU 32 32 ? ? ? K . n G 1 33 ALA 33 33 ? ? ? K . n G 1 34 ILE 34 34 ? ? ? K . n G 1 35 GLU 35 35 ? ? ? K . n G 1 36 VAL 36 36 ? ? ? K . n G 1 37 LEU 37 37 ? ? ? K . n G 1 38 GLY 38 38 ? ? ? K . n G 1 39 PRO 39 39 ? ? ? K . n G 1 40 GLN 40 40 ? ? ? K . n G 1 41 ASN 41 41 ? ? ? K . n G 1 42 GLU 42 42 ? ? ? K . n G 1 43 ASN 43 43 ? ? ? K . n G 1 44 LEU 44 44 ? ? ? K . n G 1 45 SER 45 45 ? ? ? K . n G 1 46 GLN 46 46 ? ? ? K . n G 1 47 ASN 47 47 ? ? ? K . n G 1 48 LYS 48 48 ? ? ? K . n G 1 49 LEU 49 49 ? ? ? K . n G 1 50 SER 50 50 ? ? ? K . n G 1 51 SER 51 51 ? ? ? K . n G 1 52 ASP 52 52 ? ? ? K . n G 1 53 VAL 53 53 ? ? ? K . n G 1 54 THR 54 54 ? ? ? K . n G 1 55 GLN 55 55 ? ? ? K . n G 1 56 ALA 56 56 ? ? ? K . n G 1 57 ILE 57 57 ? ? ? K . n G 1 58 ASP 58 58 ? ? ? K . n G 1 59 LEU 59 59 ? ? ? K . n G 1 60 LEU 60 60 ? ? ? K . n G 1 61 LYS 61 61 ? ? ? K . n G 1 62 GLN 62 62 ? ? ? K . n G 1 63 ASP 63 63 ? ? ? K . n G 1 64 ILE 64 64 ? ? ? K . n G 1 65 THR 65 65 ? ? ? K . n G 1 66 ALA 66 66 ? ? ? K . n G 1 67 LYS 67 67 ? ? ? K . n G 1 68 ILE 68 68 ? ? ? K . n G 1 69 GLN 69 69 ? ? ? K . n G 1 70 GLU 70 70 ? ? ? K . n G 1 71 LEU 71 71 ? ? ? K . n G 1 72 GLU 72 72 ? ? ? K . n G 1 73 LEU 73 73 ? ? ? K . n G 1 74 LEU 74 74 ? ? ? K . n G 1 75 ILE 75 75 ? ? ? K . n G 1 76 GLU 76 76 ? ? ? K . n G 1 77 LYS 77 77 ? ? ? K . n G 1 78 GLN 78 78 ? ? ? K . n G 1 79 SER 79 79 ? ? ? K . n G 1 80 SER 80 80 ? ? ? K . n G 1 81 GLU 81 81 ? ? ? K . n G 1 82 GLU 82 82 ? ? ? K . n G 1 83 ASN 83 83 ? ? ? K . n G 1 84 ASN 84 84 ? ? ? K . n G 1 85 ILE 85 85 ? ? ? K . n G 1 86 GLY 86 86 ? ? ? K . n G 1 87 MET 87 87 ? ? ? K . n G 1 88 VAL 88 88 ? ? ? K . n G 1 89 ASN 89 89 ? ? ? K . n G 1 90 ASN 90 90 ? ? ? K . n G 1 91 ASN 91 91 ? ? ? K . n G 1 92 MET 92 92 ? ? ? K . n G 1 93 LEU 93 93 ? ? ? K . n G 1 94 ILE 94 94 ? ? ? K . n G 1 95 GLY 95 95 ? ? ? K . n G 1 96 SER 96 96 ? ? ? K . n G 1 97 VAL 97 97 ? ? ? K . n G 1 98 ILE 98 98 ? ? ? K . n G 1 99 LEU 99 99 ? ? ? K . n G 1 100 ASN 100 100 ? ? ? K . n G 1 101 ASN 101 101 ? ? ? K . n G 1 102 LYS 102 102 ? ? ? K . n G 1 103 SER 103 103 ? ? ? K . n G 1 104 PRO 104 104 ? ? ? K . n G 1 105 ILE 105 105 ? ? ? K . n G 1 106 ASN 106 106 ? ? ? K . n G 1 107 GLY 107 107 ? ? ? K . n G 1 108 ILE 108 108 ? ? ? K . n G 1 109 SER 109 109 ? ? ? K . n G 1 110 ASN 110 110 ? ? ? K . n G 1 111 ALA 111 111 ? ? ? K . n G 1 112 ARG 112 112 ? ? ? K . n G 1 113 ASN 113 113 ? ? ? K . n G 1 114 TRP 114 114 ? ? ? K . n G 1 115 ASP 115 115 ? ? ? K . n G 1 116 ASN 116 116 ? ? ? K . n G 1 117 PRO 117 117 ? ? ? K . n G 1 118 ALA 118 118 ? ? ? K . n G 1 119 TYR 119 119 ? ? ? K . n G 1 120 GLN 120 120 ? ? ? K . n G 1 121 ASP 121 121 ? ? ? K . n G 1 122 THR 122 122 ? ? ? K . n G 1 123 LEU 123 123 ? ? ? K . n G 1 124 SER 124 124 124 SER SER K . n G 1 125 PRO 125 125 125 PRO PRO K . n G 1 126 ILE 126 126 126 ILE ILE K . n G 1 127 ASN 127 127 127 ASN ASN K . n G 1 128 ASP 128 128 128 ASP ASP K . n G 1 129 PRO 129 129 129 PRO PRO K . n G 1 130 LEU 130 130 130 LEU LEU K . n G 1 131 LEU 131 131 131 LEU LEU K . n G 1 132 MET 132 132 132 MET MET K . n G 1 133 SER 133 133 133 SER SER K . n G 1 134 ILE 134 134 134 ILE ILE K . n G 1 135 LEU 135 135 135 LEU LEU K . n G 1 136 ASN 136 136 136 ASN ASN K . n G 1 137 ARG 137 137 137 ARG ARG K . n G 1 138 LEU 138 138 138 LEU LEU K . n G 1 139 GLN 139 139 139 GLN GLN K . n G 1 140 PHE 140 140 140 PHE PHE K . n G 1 141 ASN 141 141 141 ASN ASN K . n G 1 142 LEU 142 142 142 LEU LEU K . n G 1 143 ASN 143 143 143 ASN ASN K . n G 1 144 ASN 144 144 144 ASN ASN K . n G 1 145 ASP 145 145 145 ASP ASP K . n G 1 146 ILE 146 146 146 ILE ILE K . n G 1 147 GLN 147 147 147 GLN GLN K . n G 1 148 LEU 148 148 ? ? ? K . n G 1 149 LYS 149 149 ? ? ? K . n G 1 150 THR 150 150 ? ? ? K . n G 1 151 GLU 151 151 ? ? ? K . n G 1 152 GLY 152 152 ? ? ? K . n G 1 153 GLY 153 153 ? ? ? K . n G 1 154 LYS 154 154 ? ? ? K . n G 1 155 ASN 155 155 ? ? ? K . n G 1 156 SER 156 156 ? ? ? K . n G 1 157 LYS 157 157 ? ? ? K . n G 1 158 ASN 158 158 ? ? ? K . n G 1 159 SER 159 159 ? ? ? K . n G 1 160 GLU 160 160 ? ? ? K . n G 1 161 MET 161 161 ? ? ? K . n G 1 162 LYS 162 162 ? ? ? K . n G 1 163 ILE 163 163 ? ? ? K . n G 1 164 ASN 164 164 ? ? ? K . n G 1 165 LEU 165 165 ? ? ? K . n G 1 166 ARG 166 166 ? ? ? K . n G 1 167 LEU 167 167 ? ? ? K . n G 1 168 GLU 168 168 ? ? ? K . n G 1 169 GLN 169 169 ? ? ? K . n G 1 170 PHE 170 170 ? ? ? K . n G 1 171 LYS 171 171 ? ? ? K . n G 1 172 LYS 172 172 ? ? ? K . n G 1 173 GLU 173 173 ? ? ? K . n G 1 174 LEU 174 174 ? ? ? K . n G 1 175 VAL 175 175 ? ? ? K . n G 1 176 LEU 176 176 ? ? ? K . n G 1 177 TYR 177 177 ? ? ? K . n G 1 178 GLU 178 178 ? ? ? K . n G 1 179 GLN 179 179 ? ? ? K . n G 1 180 LYS 180 180 ? ? ? K . n G 1 181 LYS 181 181 ? ? ? K . n G 1 182 PHE 182 182 ? ? ? K . n G 1 183 LYS 183 183 ? ? ? K . n G 1 184 GLU 184 184 ? ? ? K . n G 1 185 TYR 185 185 ? ? ? K . n G 1 186 GLY 186 186 ? ? ? K . n G 1 187 MET 187 187 ? ? ? K . n G 1 188 LYS 188 188 ? ? ? K . n G 1 189 ILE 189 189 ? ? ? K . n G 1 190 ASP 190 190 ? ? ? K . n G 1 191 GLU 191 191 ? ? ? K . n G 1 192 ILE 192 192 ? ? ? K . n G 1 193 THR 193 193 ? ? ? K . n G 1 194 LYS 194 194 ? ? ? K . n G 1 195 GLU 195 195 ? ? ? K . n G 1 196 ASN 196 196 ? ? ? K . n G 1 197 LYS 197 197 ? ? ? K . n G 1 198 LYS 198 198 ? ? ? K . n G 1 199 LEU 199 199 ? ? ? K . n G 1 200 ALA 200 200 ? ? ? K . n G 1 201 ASN 201 201 ? ? ? K . n G 1 202 GLU 202 202 ? ? ? K . n G 1 203 ILE 203 203 ? ? ? K . n G 1 204 GLY 204 204 ? ? ? K . n G 1 205 ARG 205 205 ? ? ? K . n G 1 206 LEU 206 206 ? ? ? K . n G 1 207 ARG 207 207 ? ? ? K . n G 1 208 GLU 208 208 ? ? ? K . n G 1 209 ARG 209 209 ? ? ? K . n G 1 210 TRP 210 210 ? ? ? K . n G 1 211 ASP 211 211 ? ? ? K . n G 1 212 SER 212 212 ? ? ? K . n G 1 213 LEU 213 213 ? ? ? K . n G 1 214 VAL 214 214 ? ? ? K . n G 1 215 GLU 215 215 ? ? ? K . n G 1 216 SER 216 216 ? ? ? K . n G 1 217 ALA 217 217 ? ? ? K . n G 1 218 LYS 218 218 ? ? ? K . n G 1 219 GLN 219 219 ? ? ? K . n G 1 220 ARG 220 220 ? ? ? K . n G 1 221 ARG 221 221 ? ? ? K . n G 1 222 ASP 222 222 ? ? ? K . n G 1 223 LYS 223 223 ? ? ? K . n G 1 224 GLN 224 224 ? ? ? K . n G 1 225 LYS 225 225 ? ? ? K . n G 1 226 ASN 226 226 ? ? ? K . n H 1 1 MET 1 1 ? ? ? L . n H 1 2 SER 2 2 ? ? ? L . n H 1 3 THR 3 3 ? ? ? L . n H 1 4 LEU 4 4 ? ? ? L . n H 1 5 ALA 5 5 ? ? ? L . n H 1 6 GLU 6 6 ? ? ? L . n H 1 7 VAL 7 7 ? ? ? L . n H 1 8 TYR 8 8 ? ? ? L . n H 1 9 THR 9 9 ? ? ? L . n H 1 10 ILE 10 10 ? ? ? L . n H 1 11 ILE 11 11 ? ? ? L . n H 1 12 GLU 12 12 ? ? ? L . n H 1 13 ASP 13 13 ? ? ? L . n H 1 14 ALA 14 14 ? ? ? L . n H 1 15 GLU 15 15 ? ? ? L . n H 1 16 GLN 16 16 ? ? ? L . n H 1 17 GLU 17 17 ? ? ? L . n H 1 18 CYS 18 18 ? ? ? L . n H 1 19 ARG 19 19 ? ? ? L . n H 1 20 LYS 20 20 ? ? ? L . n H 1 21 GLY 21 21 ? ? ? L . n H 1 22 ASP 22 22 ? ? ? L . n H 1 23 PHE 23 23 ? ? ? L . n H 1 24 THR 24 24 ? ? ? L . n H 1 25 ASN 25 25 ? ? ? L . n H 1 26 ALA 26 26 ? ? ? L . n H 1 27 LYS 27 27 ? ? ? L . n H 1 28 ALA 28 28 ? ? ? L . n H 1 29 LYS 29 29 ? ? ? L . n H 1 30 TYR 30 30 ? ? ? L . n H 1 31 GLN 31 31 ? ? ? L . n H 1 32 GLU 32 32 ? ? ? L . n H 1 33 ALA 33 33 ? ? ? L . n H 1 34 ILE 34 34 ? ? ? L . n H 1 35 GLU 35 35 ? ? ? L . n H 1 36 VAL 36 36 ? ? ? L . n H 1 37 LEU 37 37 ? ? ? L . n H 1 38 GLY 38 38 ? ? ? L . n H 1 39 PRO 39 39 ? ? ? L . n H 1 40 GLN 40 40 ? ? ? L . n H 1 41 ASN 41 41 ? ? ? L . n H 1 42 GLU 42 42 ? ? ? L . n H 1 43 ASN 43 43 ? ? ? L . n H 1 44 LEU 44 44 ? ? ? L . n H 1 45 SER 45 45 ? ? ? L . n H 1 46 GLN 46 46 ? ? ? L . n H 1 47 ASN 47 47 ? ? ? L . n H 1 48 LYS 48 48 ? ? ? L . n H 1 49 LEU 49 49 ? ? ? L . n H 1 50 SER 50 50 ? ? ? L . n H 1 51 SER 51 51 ? ? ? L . n H 1 52 ASP 52 52 ? ? ? L . n H 1 53 VAL 53 53 ? ? ? L . n H 1 54 THR 54 54 ? ? ? L . n H 1 55 GLN 55 55 ? ? ? L . n H 1 56 ALA 56 56 ? ? ? L . n H 1 57 ILE 57 57 ? ? ? L . n H 1 58 ASP 58 58 ? ? ? L . n H 1 59 LEU 59 59 ? ? ? L . n H 1 60 LEU 60 60 ? ? ? L . n H 1 61 LYS 61 61 ? ? ? L . n H 1 62 GLN 62 62 ? ? ? L . n H 1 63 ASP 63 63 ? ? ? L . n H 1 64 ILE 64 64 ? ? ? L . n H 1 65 THR 65 65 ? ? ? L . n H 1 66 ALA 66 66 ? ? ? L . n H 1 67 LYS 67 67 ? ? ? L . n H 1 68 ILE 68 68 ? ? ? L . n H 1 69 GLN 69 69 ? ? ? L . n H 1 70 GLU 70 70 ? ? ? L . n H 1 71 LEU 71 71 ? ? ? L . n H 1 72 GLU 72 72 ? ? ? L . n H 1 73 LEU 73 73 ? ? ? L . n H 1 74 LEU 74 74 ? ? ? L . n H 1 75 ILE 75 75 ? ? ? L . n H 1 76 GLU 76 76 ? ? ? L . n H 1 77 LYS 77 77 ? ? ? L . n H 1 78 GLN 78 78 ? ? ? L . n H 1 79 SER 79 79 ? ? ? L . n H 1 80 SER 80 80 ? ? ? L . n H 1 81 GLU 81 81 ? ? ? L . n H 1 82 GLU 82 82 ? ? ? L . n H 1 83 ASN 83 83 ? ? ? L . n H 1 84 ASN 84 84 ? ? ? L . n H 1 85 ILE 85 85 ? ? ? L . n H 1 86 GLY 86 86 ? ? ? L . n H 1 87 MET 87 87 ? ? ? L . n H 1 88 VAL 88 88 ? ? ? L . n H 1 89 ASN 89 89 ? ? ? L . n H 1 90 ASN 90 90 ? ? ? L . n H 1 91 ASN 91 91 ? ? ? L . n H 1 92 MET 92 92 ? ? ? L . n H 1 93 LEU 93 93 ? ? ? L . n H 1 94 ILE 94 94 ? ? ? L . n H 1 95 GLY 95 95 ? ? ? L . n H 1 96 SER 96 96 ? ? ? L . n H 1 97 VAL 97 97 ? ? ? L . n H 1 98 ILE 98 98 ? ? ? L . n H 1 99 LEU 99 99 ? ? ? L . n H 1 100 ASN 100 100 ? ? ? L . n H 1 101 ASN 101 101 ? ? ? L . n H 1 102 LYS 102 102 ? ? ? L . n H 1 103 SER 103 103 ? ? ? L . n H 1 104 PRO 104 104 ? ? ? L . n H 1 105 ILE 105 105 ? ? ? L . n H 1 106 ASN 106 106 ? ? ? L . n H 1 107 GLY 107 107 ? ? ? L . n H 1 108 ILE 108 108 ? ? ? L . n H 1 109 SER 109 109 ? ? ? L . n H 1 110 ASN 110 110 ? ? ? L . n H 1 111 ALA 111 111 ? ? ? L . n H 1 112 ARG 112 112 ? ? ? L . n H 1 113 ASN 113 113 ? ? ? L . n H 1 114 TRP 114 114 ? ? ? L . n H 1 115 ASP 115 115 ? ? ? L . n H 1 116 ASN 116 116 ? ? ? L . n H 1 117 PRO 117 117 ? ? ? L . n H 1 118 ALA 118 118 ? ? ? L . n H 1 119 TYR 119 119 ? ? ? L . n H 1 120 GLN 120 120 ? ? ? L . n H 1 121 ASP 121 121 ? ? ? L . n H 1 122 THR 122 122 ? ? ? L . n H 1 123 LEU 123 123 ? ? ? L . n H 1 124 SER 124 124 ? ? ? L . n H 1 125 PRO 125 125 ? ? ? L . n H 1 126 ILE 126 126 ? ? ? L . n H 1 127 ASN 127 127 ? ? ? L . n H 1 128 ASP 128 128 ? ? ? L . n H 1 129 PRO 129 129 ? ? ? L . n H 1 130 LEU 130 130 ? ? ? L . n H 1 131 LEU 131 131 ? ? ? L . n H 1 132 MET 132 132 ? ? ? L . n H 1 133 SER 133 133 ? ? ? L . n H 1 134 ILE 134 134 ? ? ? L . n H 1 135 LEU 135 135 ? ? ? L . n H 1 136 ASN 136 136 ? ? ? L . n H 1 137 ARG 137 137 ? ? ? L . n H 1 138 LEU 138 138 ? ? ? L . n H 1 139 GLN 139 139 ? ? ? L . n H 1 140 PHE 140 140 ? ? ? L . n H 1 141 ASN 141 141 ? ? ? L . n H 1 142 LEU 142 142 ? ? ? L . n H 1 143 ASN 143 143 ? ? ? L . n H 1 144 ASN 144 144 ? ? ? L . n H 1 145 ASP 145 145 ? ? ? L . n H 1 146 ILE 146 146 ? ? ? L . n H 1 147 GLN 147 147 ? ? ? L . n H 1 148 LEU 148 148 ? ? ? L . n H 1 149 LYS 149 149 ? ? ? L . n H 1 150 THR 150 150 ? ? ? L . n H 1 151 GLU 151 151 ? ? ? L . n H 1 152 GLY 152 152 ? ? ? L . n H 1 153 GLY 153 153 ? ? ? L . n H 1 154 LYS 154 154 ? ? ? L . n H 1 155 ASN 155 155 ? ? ? L . n H 1 156 SER 156 156 ? ? ? L . n H 1 157 LYS 157 157 157 LYS LYS L . n H 1 158 ASN 158 158 158 ASN ASN L . n H 1 159 SER 159 159 159 SER SER L . n H 1 160 GLU 160 160 160 GLU GLU L . n H 1 161 MET 161 161 161 MET MET L . n H 1 162 LYS 162 162 162 LYS LYS L . n H 1 163 ILE 163 163 163 ILE ILE L . n H 1 164 ASN 164 164 164 ASN ASN L . n H 1 165 LEU 165 165 165 LEU LEU L . n H 1 166 ARG 166 166 166 ARG ARG L . n H 1 167 LEU 167 167 167 LEU LEU L . n H 1 168 GLU 168 168 168 GLU GLU L . n H 1 169 GLN 169 169 169 GLN GLN L . n H 1 170 PHE 170 170 170 PHE PHE L . n H 1 171 LYS 171 171 171 LYS LYS L . n H 1 172 LYS 172 172 172 LYS LYS L . n H 1 173 GLU 173 173 173 GLU GLU L . n H 1 174 LEU 174 174 174 LEU LEU L . n H 1 175 VAL 175 175 175 VAL VAL L . n H 1 176 LEU 176 176 176 LEU LEU L . n H 1 177 TYR 177 177 177 TYR TYR L . n H 1 178 GLU 178 178 178 GLU GLU L . n H 1 179 GLN 179 179 179 GLN GLN L . n H 1 180 LYS 180 180 180 LYS LYS L . n H 1 181 LYS 181 181 181 LYS LYS L . n H 1 182 PHE 182 182 182 PHE PHE L . n H 1 183 LYS 183 183 183 LYS LYS L . n H 1 184 GLU 184 184 184 GLU GLU L . n H 1 185 TYR 185 185 185 TYR TYR L . n H 1 186 GLY 186 186 186 GLY GLY L . n H 1 187 MET 187 187 187 MET MET L . n H 1 188 LYS 188 188 188 LYS LYS L . n H 1 189 ILE 189 189 189 ILE ILE L . n H 1 190 ASP 190 190 190 ASP ASP L . n H 1 191 GLU 191 191 191 GLU GLU L . n H 1 192 ILE 192 192 192 ILE ILE L . n H 1 193 THR 193 193 193 THR THR L . n H 1 194 LYS 194 194 194 LYS LYS L . n H 1 195 GLU 195 195 195 GLU GLU L . n H 1 196 ASN 196 196 196 ASN ASN L . n H 1 197 LYS 197 197 197 LYS LYS L . n H 1 198 LYS 198 198 198 LYS LYS L . n H 1 199 LEU 199 199 199 LEU LEU L . n H 1 200 ALA 200 200 200 ALA ALA L . n H 1 201 ASN 201 201 201 ASN ASN L . n H 1 202 GLU 202 202 202 GLU GLU L . n H 1 203 ILE 203 203 203 ILE ILE L . n H 1 204 GLY 204 204 204 GLY GLY L . n H 1 205 ARG 205 205 205 ARG ARG L . n H 1 206 LEU 206 206 206 LEU LEU L . n H 1 207 ARG 207 207 207 ARG ARG L . n H 1 208 GLU 208 208 208 GLU GLU L . n H 1 209 ARG 209 209 209 ARG ARG L . n H 1 210 TRP 210 210 210 TRP TRP L . n H 1 211 ASP 211 211 211 ASP ASP L . n H 1 212 SER 212 212 212 SER SER L . n H 1 213 LEU 213 213 213 LEU LEU L . n H 1 214 VAL 214 214 214 VAL VAL L . n H 1 215 GLU 215 215 215 GLU GLU L . n H 1 216 SER 216 216 216 SER SER L . n H 1 217 ALA 217 217 ? ? ? L . n H 1 218 LYS 218 218 ? ? ? L . n H 1 219 GLN 219 219 ? ? ? L . n H 1 220 ARG 220 220 ? ? ? L . n H 1 221 ARG 221 221 ? ? ? L . n H 1 222 ASP 222 222 ? ? ? L . n H 1 223 LYS 223 223 ? ? ? L . n H 1 224 GLN 224 224 ? ? ? L . n H 1 225 LYS 225 225 ? ? ? L . n H 1 226 ASN 226 226 ? ? ? L . n I 1 1 MET 1 1 ? ? ? E . n I 1 2 SER 2 2 ? ? ? E . n I 1 3 THR 3 3 ? ? ? E . n I 1 4 LEU 4 4 ? ? ? E . n I 1 5 ALA 5 5 ? ? ? E . n I 1 6 GLU 6 6 ? ? ? E . n I 1 7 VAL 7 7 ? ? ? E . n I 1 8 TYR 8 8 ? ? ? E . n I 1 9 THR 9 9 ? ? ? E . n I 1 10 ILE 10 10 ? ? ? E . n I 1 11 ILE 11 11 ? ? ? E . n I 1 12 GLU 12 12 ? ? ? E . n I 1 13 ASP 13 13 ? ? ? E . n I 1 14 ALA 14 14 ? ? ? E . n I 1 15 GLU 15 15 ? ? ? E . n I 1 16 GLN 16 16 ? ? ? E . n I 1 17 GLU 17 17 ? ? ? E . n I 1 18 CYS 18 18 ? ? ? E . n I 1 19 ARG 19 19 ? ? ? E . n I 1 20 LYS 20 20 ? ? ? E . n I 1 21 GLY 21 21 ? ? ? E . n I 1 22 ASP 22 22 ? ? ? E . n I 1 23 PHE 23 23 ? ? ? E . n I 1 24 THR 24 24 ? ? ? E . n I 1 25 ASN 25 25 ? ? ? E . n I 1 26 ALA 26 26 ? ? ? E . n I 1 27 LYS 27 27 ? ? ? E . n I 1 28 ALA 28 28 ? ? ? E . n I 1 29 LYS 29 29 ? ? ? E . n I 1 30 TYR 30 30 ? ? ? E . n I 1 31 GLN 31 31 ? ? ? E . n I 1 32 GLU 32 32 ? ? ? E . n I 1 33 ALA 33 33 ? ? ? E . n I 1 34 ILE 34 34 ? ? ? E . n I 1 35 GLU 35 35 ? ? ? E . n I 1 36 VAL 36 36 ? ? ? E . n I 1 37 LEU 37 37 ? ? ? E . n I 1 38 GLY 38 38 ? ? ? E . n I 1 39 PRO 39 39 ? ? ? E . n I 1 40 GLN 40 40 ? ? ? E . n I 1 41 ASN 41 41 ? ? ? E . n I 1 42 GLU 42 42 ? ? ? E . n I 1 43 ASN 43 43 ? ? ? E . n I 1 44 LEU 44 44 ? ? ? E . n I 1 45 SER 45 45 ? ? ? E . n I 1 46 GLN 46 46 ? ? ? E . n I 1 47 ASN 47 47 ? ? ? E . n I 1 48 LYS 48 48 ? ? ? E . n I 1 49 LEU 49 49 ? ? ? E . n I 1 50 SER 50 50 ? ? ? E . n I 1 51 SER 51 51 ? ? ? E . n I 1 52 ASP 52 52 ? ? ? E . n I 1 53 VAL 53 53 ? ? ? E . n I 1 54 THR 54 54 ? ? ? E . n I 1 55 GLN 55 55 ? ? ? E . n I 1 56 ALA 56 56 ? ? ? E . n I 1 57 ILE 57 57 ? ? ? E . n I 1 58 ASP 58 58 ? ? ? E . n I 1 59 LEU 59 59 ? ? ? E . n I 1 60 LEU 60 60 ? ? ? E . n I 1 61 LYS 61 61 ? ? ? E . n I 1 62 GLN 62 62 ? ? ? E . n I 1 63 ASP 63 63 ? ? ? E . n I 1 64 ILE 64 64 ? ? ? E . n I 1 65 THR 65 65 ? ? ? E . n I 1 66 ALA 66 66 ? ? ? E . n I 1 67 LYS 67 67 ? ? ? E . n I 1 68 ILE 68 68 ? ? ? E . n I 1 69 GLN 69 69 ? ? ? E . n I 1 70 GLU 70 70 ? ? ? E . n I 1 71 LEU 71 71 ? ? ? E . n I 1 72 GLU 72 72 ? ? ? E . n I 1 73 LEU 73 73 ? ? ? E . n I 1 74 LEU 74 74 ? ? ? E . n I 1 75 ILE 75 75 ? ? ? E . n I 1 76 GLU 76 76 ? ? ? E . n I 1 77 LYS 77 77 ? ? ? E . n I 1 78 GLN 78 78 ? ? ? E . n I 1 79 SER 79 79 ? ? ? E . n I 1 80 SER 80 80 ? ? ? E . n I 1 81 GLU 81 81 ? ? ? E . n I 1 82 GLU 82 82 ? ? ? E . n I 1 83 ASN 83 83 ? ? ? E . n I 1 84 ASN 84 84 ? ? ? E . n I 1 85 ILE 85 85 ? ? ? E . n I 1 86 GLY 86 86 ? ? ? E . n I 1 87 MET 87 87 ? ? ? E . n I 1 88 VAL 88 88 ? ? ? E . n I 1 89 ASN 89 89 ? ? ? E . n I 1 90 ASN 90 90 ? ? ? E . n I 1 91 ASN 91 91 ? ? ? E . n I 1 92 MET 92 92 ? ? ? E . n I 1 93 LEU 93 93 ? ? ? E . n I 1 94 ILE 94 94 ? ? ? E . n I 1 95 GLY 95 95 ? ? ? E . n I 1 96 SER 96 96 ? ? ? E . n I 1 97 VAL 97 97 ? ? ? E . n I 1 98 ILE 98 98 ? ? ? E . n I 1 99 LEU 99 99 ? ? ? E . n I 1 100 ASN 100 100 ? ? ? E . n I 1 101 ASN 101 101 ? ? ? E . n I 1 102 LYS 102 102 ? ? ? E . n I 1 103 SER 103 103 ? ? ? E . n I 1 104 PRO 104 104 ? ? ? E . n I 1 105 ILE 105 105 ? ? ? E . n I 1 106 ASN 106 106 ? ? ? E . n I 1 107 GLY 107 107 ? ? ? E . n I 1 108 ILE 108 108 ? ? ? E . n I 1 109 SER 109 109 ? ? ? E . n I 1 110 ASN 110 110 ? ? ? E . n I 1 111 ALA 111 111 ? ? ? E . n I 1 112 ARG 112 112 ? ? ? E . n I 1 113 ASN 113 113 ? ? ? E . n I 1 114 TRP 114 114 ? ? ? E . n I 1 115 ASP 115 115 ? ? ? E . n I 1 116 ASN 116 116 ? ? ? E . n I 1 117 PRO 117 117 ? ? ? E . n I 1 118 ALA 118 118 ? ? ? E . n I 1 119 TYR 119 119 ? ? ? E . n I 1 120 GLN 120 120 ? ? ? E . n I 1 121 ASP 121 121 ? ? ? E . n I 1 122 THR 122 122 ? ? ? E . n I 1 123 LEU 123 123 123 LEU LEU E . n I 1 124 SER 124 124 124 SER SER E . n I 1 125 PRO 125 125 125 PRO PRO E . n I 1 126 ILE 126 126 126 ILE ILE E . n I 1 127 ASN 127 127 127 ASN ASN E . n I 1 128 ASP 128 128 128 ASP ASP E . n I 1 129 PRO 129 129 129 PRO PRO E . n I 1 130 LEU 130 130 130 LEU LEU E . n I 1 131 LEU 131 131 131 LEU LEU E . n I 1 132 MET 132 132 132 MET MET E . n I 1 133 SER 133 133 133 SER SER E . n I 1 134 ILE 134 134 134 ILE ILE E . n I 1 135 LEU 135 135 135 LEU LEU E . n I 1 136 ASN 136 136 136 ASN ASN E . n I 1 137 ARG 137 137 137 ARG ARG E . n I 1 138 LEU 138 138 138 LEU LEU E . n I 1 139 GLN 139 139 139 GLN GLN E . n I 1 140 PHE 140 140 140 PHE PHE E . n I 1 141 ASN 141 141 141 ASN ASN E . n I 1 142 LEU 142 142 142 LEU LEU E . n I 1 143 ASN 143 143 143 ASN ASN E . n I 1 144 ASN 144 144 144 ASN ASN E . n I 1 145 ASP 145 145 145 ASP ASP E . n I 1 146 ILE 146 146 146 ILE ILE E . n I 1 147 GLN 147 147 147 GLN GLN E . n I 1 148 LEU 148 148 148 LEU LEU E . n I 1 149 LYS 149 149 149 LYS LYS E . n I 1 150 THR 150 150 150 THR THR E . n I 1 151 GLU 151 151 151 GLU GLU E . n I 1 152 GLY 152 152 152 GLY GLY E . n I 1 153 GLY 153 153 ? ? ? E . n I 1 154 LYS 154 154 ? ? ? E . n I 1 155 ASN 155 155 ? ? ? E . n I 1 156 SER 156 156 ? ? ? E . n I 1 157 LYS 157 157 ? ? ? E . n I 1 158 ASN 158 158 ? ? ? E . n I 1 159 SER 159 159 ? ? ? E . n I 1 160 GLU 160 160 ? ? ? E . n I 1 161 MET 161 161 ? ? ? E . n I 1 162 LYS 162 162 ? ? ? E . n I 1 163 ILE 163 163 ? ? ? E . n I 1 164 ASN 164 164 ? ? ? E . n I 1 165 LEU 165 165 ? ? ? E . n I 1 166 ARG 166 166 ? ? ? E . n I 1 167 LEU 167 167 ? ? ? E . n I 1 168 GLU 168 168 ? ? ? E . n I 1 169 GLN 169 169 ? ? ? E . n I 1 170 PHE 170 170 ? ? ? E . n I 1 171 LYS 171 171 ? ? ? E . n I 1 172 LYS 172 172 ? ? ? E . n I 1 173 GLU 173 173 ? ? ? E . n I 1 174 LEU 174 174 ? ? ? E . n I 1 175 VAL 175 175 ? ? ? E . n I 1 176 LEU 176 176 ? ? ? E . n I 1 177 TYR 177 177 ? ? ? E . n I 1 178 GLU 178 178 ? ? ? E . n I 1 179 GLN 179 179 ? ? ? E . n I 1 180 LYS 180 180 ? ? ? E . n I 1 181 LYS 181 181 ? ? ? E . n I 1 182 PHE 182 182 ? ? ? E . n I 1 183 LYS 183 183 ? ? ? E . n I 1 184 GLU 184 184 ? ? ? E . n I 1 185 TYR 185 185 ? ? ? E . n I 1 186 GLY 186 186 ? ? ? E . n I 1 187 MET 187 187 ? ? ? E . n I 1 188 LYS 188 188 ? ? ? E . n I 1 189 ILE 189 189 ? ? ? E . n I 1 190 ASP 190 190 ? ? ? E . n I 1 191 GLU 191 191 ? ? ? E . n I 1 192 ILE 192 192 ? ? ? E . n I 1 193 THR 193 193 ? ? ? E . n I 1 194 LYS 194 194 ? ? ? E . n I 1 195 GLU 195 195 ? ? ? E . n I 1 196 ASN 196 196 ? ? ? E . n I 1 197 LYS 197 197 ? ? ? E . n I 1 198 LYS 198 198 ? ? ? E . n I 1 199 LEU 199 199 ? ? ? E . n I 1 200 ALA 200 200 ? ? ? E . n I 1 201 ASN 201 201 ? ? ? E . n I 1 202 GLU 202 202 ? ? ? E . n I 1 203 ILE 203 203 ? ? ? E . n I 1 204 GLY 204 204 ? ? ? E . n I 1 205 ARG 205 205 ? ? ? E . n I 1 206 LEU 206 206 ? ? ? E . n I 1 207 ARG 207 207 ? ? ? E . n I 1 208 GLU 208 208 ? ? ? E . n I 1 209 ARG 209 209 ? ? ? E . n I 1 210 TRP 210 210 ? ? ? E . n I 1 211 ASP 211 211 ? ? ? E . n I 1 212 SER 212 212 ? ? ? E . n I 1 213 LEU 213 213 ? ? ? E . n I 1 214 VAL 214 214 ? ? ? E . n I 1 215 GLU 215 215 ? ? ? E . n I 1 216 SER 216 216 ? ? ? E . n I 1 217 ALA 217 217 ? ? ? E . n I 1 218 LYS 218 218 ? ? ? E . n I 1 219 GLN 219 219 ? ? ? E . n I 1 220 ARG 220 220 ? ? ? E . n I 1 221 ARG 221 221 ? ? ? E . n I 1 222 ASP 222 222 ? ? ? E . n I 1 223 LYS 223 223 ? ? ? E . n I 1 224 GLN 224 224 ? ? ? E . n I 1 225 LYS 225 225 ? ? ? E . n I 1 226 ASN 226 226 ? ? ? E . n J 1 1 MET 1 1 ? ? ? F . n J 1 2 SER 2 2 ? ? ? F . n J 1 3 THR 3 3 ? ? ? F . n J 1 4 LEU 4 4 ? ? ? F . n J 1 5 ALA 5 5 ? ? ? F . n J 1 6 GLU 6 6 ? ? ? F . n J 1 7 VAL 7 7 ? ? ? F . n J 1 8 TYR 8 8 ? ? ? F . n J 1 9 THR 9 9 ? ? ? F . n J 1 10 ILE 10 10 ? ? ? F . n J 1 11 ILE 11 11 ? ? ? F . n J 1 12 GLU 12 12 ? ? ? F . n J 1 13 ASP 13 13 ? ? ? F . n J 1 14 ALA 14 14 ? ? ? F . n J 1 15 GLU 15 15 ? ? ? F . n J 1 16 GLN 16 16 ? ? ? F . n J 1 17 GLU 17 17 ? ? ? F . n J 1 18 CYS 18 18 ? ? ? F . n J 1 19 ARG 19 19 ? ? ? F . n J 1 20 LYS 20 20 ? ? ? F . n J 1 21 GLY 21 21 ? ? ? F . n J 1 22 ASP 22 22 ? ? ? F . n J 1 23 PHE 23 23 ? ? ? F . n J 1 24 THR 24 24 ? ? ? F . n J 1 25 ASN 25 25 ? ? ? F . n J 1 26 ALA 26 26 ? ? ? F . n J 1 27 LYS 27 27 ? ? ? F . n J 1 28 ALA 28 28 ? ? ? F . n J 1 29 LYS 29 29 ? ? ? F . n J 1 30 TYR 30 30 ? ? ? F . n J 1 31 GLN 31 31 ? ? ? F . n J 1 32 GLU 32 32 ? ? ? F . n J 1 33 ALA 33 33 ? ? ? F . n J 1 34 ILE 34 34 ? ? ? F . n J 1 35 GLU 35 35 ? ? ? F . n J 1 36 VAL 36 36 ? ? ? F . n J 1 37 LEU 37 37 ? ? ? F . n J 1 38 GLY 38 38 ? ? ? F . n J 1 39 PRO 39 39 ? ? ? F . n J 1 40 GLN 40 40 ? ? ? F . n J 1 41 ASN 41 41 ? ? ? F . n J 1 42 GLU 42 42 ? ? ? F . n J 1 43 ASN 43 43 ? ? ? F . n J 1 44 LEU 44 44 ? ? ? F . n J 1 45 SER 45 45 ? ? ? F . n J 1 46 GLN 46 46 ? ? ? F . n J 1 47 ASN 47 47 ? ? ? F . n J 1 48 LYS 48 48 ? ? ? F . n J 1 49 LEU 49 49 ? ? ? F . n J 1 50 SER 50 50 ? ? ? F . n J 1 51 SER 51 51 ? ? ? F . n J 1 52 ASP 52 52 ? ? ? F . n J 1 53 VAL 53 53 ? ? ? F . n J 1 54 THR 54 54 ? ? ? F . n J 1 55 GLN 55 55 ? ? ? F . n J 1 56 ALA 56 56 ? ? ? F . n J 1 57 ILE 57 57 ? ? ? F . n J 1 58 ASP 58 58 ? ? ? F . n J 1 59 LEU 59 59 ? ? ? F . n J 1 60 LEU 60 60 ? ? ? F . n J 1 61 LYS 61 61 ? ? ? F . n J 1 62 GLN 62 62 ? ? ? F . n J 1 63 ASP 63 63 ? ? ? F . n J 1 64 ILE 64 64 ? ? ? F . n J 1 65 THR 65 65 ? ? ? F . n J 1 66 ALA 66 66 ? ? ? F . n J 1 67 LYS 67 67 ? ? ? F . n J 1 68 ILE 68 68 ? ? ? F . n J 1 69 GLN 69 69 ? ? ? F . n J 1 70 GLU 70 70 ? ? ? F . n J 1 71 LEU 71 71 ? ? ? F . n J 1 72 GLU 72 72 ? ? ? F . n J 1 73 LEU 73 73 ? ? ? F . n J 1 74 LEU 74 74 ? ? ? F . n J 1 75 ILE 75 75 ? ? ? F . n J 1 76 GLU 76 76 ? ? ? F . n J 1 77 LYS 77 77 ? ? ? F . n J 1 78 GLN 78 78 ? ? ? F . n J 1 79 SER 79 79 ? ? ? F . n J 1 80 SER 80 80 ? ? ? F . n J 1 81 GLU 81 81 ? ? ? F . n J 1 82 GLU 82 82 ? ? ? F . n J 1 83 ASN 83 83 ? ? ? F . n J 1 84 ASN 84 84 ? ? ? F . n J 1 85 ILE 85 85 ? ? ? F . n J 1 86 GLY 86 86 ? ? ? F . n J 1 87 MET 87 87 ? ? ? F . n J 1 88 VAL 88 88 ? ? ? F . n J 1 89 ASN 89 89 ? ? ? F . n J 1 90 ASN 90 90 ? ? ? F . n J 1 91 ASN 91 91 ? ? ? F . n J 1 92 MET 92 92 ? ? ? F . n J 1 93 LEU 93 93 ? ? ? F . n J 1 94 ILE 94 94 ? ? ? F . n J 1 95 GLY 95 95 ? ? ? F . n J 1 96 SER 96 96 ? ? ? F . n J 1 97 VAL 97 97 ? ? ? F . n J 1 98 ILE 98 98 ? ? ? F . n J 1 99 LEU 99 99 ? ? ? F . n J 1 100 ASN 100 100 ? ? ? F . n J 1 101 ASN 101 101 ? ? ? F . n J 1 102 LYS 102 102 ? ? ? F . n J 1 103 SER 103 103 ? ? ? F . n J 1 104 PRO 104 104 ? ? ? F . n J 1 105 ILE 105 105 ? ? ? F . n J 1 106 ASN 106 106 ? ? ? F . n J 1 107 GLY 107 107 ? ? ? F . n J 1 108 ILE 108 108 ? ? ? F . n J 1 109 SER 109 109 ? ? ? F . n J 1 110 ASN 110 110 ? ? ? F . n J 1 111 ALA 111 111 ? ? ? F . n J 1 112 ARG 112 112 ? ? ? F . n J 1 113 ASN 113 113 ? ? ? F . n J 1 114 TRP 114 114 ? ? ? F . n J 1 115 ASP 115 115 ? ? ? F . n J 1 116 ASN 116 116 ? ? ? F . n J 1 117 PRO 117 117 ? ? ? F . n J 1 118 ALA 118 118 ? ? ? F . n J 1 119 TYR 119 119 ? ? ? F . n J 1 120 GLN 120 120 ? ? ? F . n J 1 121 ASP 121 121 ? ? ? F . n J 1 122 THR 122 122 ? ? ? F . n J 1 123 LEU 123 123 ? ? ? F . n J 1 124 SER 124 124 ? ? ? F . n J 1 125 PRO 125 125 ? ? ? F . n J 1 126 ILE 126 126 ? ? ? F . n J 1 127 ASN 127 127 ? ? ? F . n J 1 128 ASP 128 128 ? ? ? F . n J 1 129 PRO 129 129 ? ? ? F . n J 1 130 LEU 130 130 ? ? ? F . n J 1 131 LEU 131 131 ? ? ? F . n J 1 132 MET 132 132 ? ? ? F . n J 1 133 SER 133 133 ? ? ? F . n J 1 134 ILE 134 134 ? ? ? F . n J 1 135 LEU 135 135 ? ? ? F . n J 1 136 ASN 136 136 ? ? ? F . n J 1 137 ARG 137 137 ? ? ? F . n J 1 138 LEU 138 138 ? ? ? F . n J 1 139 GLN 139 139 ? ? ? F . n J 1 140 PHE 140 140 ? ? ? F . n J 1 141 ASN 141 141 ? ? ? F . n J 1 142 LEU 142 142 ? ? ? F . n J 1 143 ASN 143 143 ? ? ? F . n J 1 144 ASN 144 144 ? ? ? F . n J 1 145 ASP 145 145 ? ? ? F . n J 1 146 ILE 146 146 ? ? ? F . n J 1 147 GLN 147 147 ? ? ? F . n J 1 148 LEU 148 148 ? ? ? F . n J 1 149 LYS 149 149 ? ? ? F . n J 1 150 THR 150 150 ? ? ? F . n J 1 151 GLU 151 151 ? ? ? F . n J 1 152 GLY 152 152 ? ? ? F . n J 1 153 GLY 153 153 ? ? ? F . n J 1 154 LYS 154 154 ? ? ? F . n J 1 155 ASN 155 155 ? ? ? F . n J 1 156 SER 156 156 ? ? ? F . n J 1 157 LYS 157 157 157 LYS LYS F . n J 1 158 ASN 158 158 158 ASN ASN F . n J 1 159 SER 159 159 159 SER SER F . n J 1 160 GLU 160 160 160 GLU GLU F . n J 1 161 MET 161 161 161 MET MET F . n J 1 162 LYS 162 162 162 LYS LYS F . n J 1 163 ILE 163 163 163 ILE ILE F . n J 1 164 ASN 164 164 164 ASN ASN F . n J 1 165 LEU 165 165 165 LEU LEU F . n J 1 166 ARG 166 166 166 ARG ARG F . n J 1 167 LEU 167 167 167 LEU LEU F . n J 1 168 GLU 168 168 168 GLU GLU F . n J 1 169 GLN 169 169 169 GLN GLN F . n J 1 170 PHE 170 170 170 PHE PHE F . n J 1 171 LYS 171 171 171 LYS LYS F . n J 1 172 LYS 172 172 172 LYS LYS F . n J 1 173 GLU 173 173 173 GLU GLU F . n J 1 174 LEU 174 174 174 LEU LEU F . n J 1 175 VAL 175 175 175 VAL VAL F . n J 1 176 LEU 176 176 176 LEU LEU F . n J 1 177 TYR 177 177 177 TYR TYR F . n J 1 178 GLU 178 178 178 GLU GLU F . n J 1 179 GLN 179 179 179 GLN GLN F . n J 1 180 LYS 180 180 180 LYS LYS F . n J 1 181 LYS 181 181 181 LYS LYS F . n J 1 182 PHE 182 182 182 PHE PHE F . n J 1 183 LYS 183 183 183 LYS LYS F . n J 1 184 GLU 184 184 184 GLU GLU F . n J 1 185 TYR 185 185 185 TYR TYR F . n J 1 186 GLY 186 186 186 GLY GLY F . n J 1 187 MET 187 187 187 MET MET F . n J 1 188 LYS 188 188 188 LYS LYS F . n J 1 189 ILE 189 189 189 ILE ILE F . n J 1 190 ASP 190 190 190 ASP ASP F . n J 1 191 GLU 191 191 191 GLU GLU F . n J 1 192 ILE 192 192 192 ILE ILE F . n J 1 193 THR 193 193 193 THR THR F . n J 1 194 LYS 194 194 194 LYS LYS F . n J 1 195 GLU 195 195 195 GLU GLU F . n J 1 196 ASN 196 196 196 ASN ASN F . n J 1 197 LYS 197 197 197 LYS LYS F . n J 1 198 LYS 198 198 198 LYS LYS F . n J 1 199 LEU 199 199 199 LEU LEU F . n J 1 200 ALA 200 200 200 ALA ALA F . n J 1 201 ASN 201 201 201 ASN ASN F . n J 1 202 GLU 202 202 202 GLU GLU F . n J 1 203 ILE 203 203 203 ILE ILE F . n J 1 204 GLY 204 204 204 GLY GLY F . n J 1 205 ARG 205 205 205 ARG ARG F . n J 1 206 LEU 206 206 206 LEU LEU F . n J 1 207 ARG 207 207 207 ARG ARG F . n J 1 208 GLU 208 208 208 GLU GLU F . n J 1 209 ARG 209 209 209 ARG ARG F . n J 1 210 TRP 210 210 210 TRP TRP F . n J 1 211 ASP 211 211 211 ASP ASP F . n J 1 212 SER 212 212 212 SER SER F . n J 1 213 LEU 213 213 213 LEU LEU F . n J 1 214 VAL 214 214 214 VAL VAL F . n J 1 215 GLU 215 215 215 GLU GLU F . n J 1 216 SER 216 216 216 SER SER F . n J 1 217 ALA 217 217 217 ALA ALA F . n J 1 218 LYS 218 218 ? ? ? F . n J 1 219 GLN 219 219 ? ? ? F . n J 1 220 ARG 220 220 ? ? ? F . n J 1 221 ARG 221 221 ? ? ? F . n J 1 222 ASP 222 222 ? ? ? F . n J 1 223 LYS 223 223 ? ? ? F . n J 1 224 GLN 224 224 ? ? ? F . n J 1 225 LYS 225 225 ? ? ? F . n J 1 226 ASN 226 226 ? ? ? F . n K 1 1 MET 1 1 ? ? ? I . n K 1 2 SER 2 2 ? ? ? I . n K 1 3 THR 3 3 ? ? ? I . n K 1 4 LEU 4 4 ? ? ? I . n K 1 5 ALA 5 5 ? ? ? I . n K 1 6 GLU 6 6 ? ? ? I . n K 1 7 VAL 7 7 ? ? ? I . n K 1 8 TYR 8 8 ? ? ? I . n K 1 9 THR 9 9 ? ? ? I . n K 1 10 ILE 10 10 ? ? ? I . n K 1 11 ILE 11 11 ? ? ? I . n K 1 12 GLU 12 12 ? ? ? I . n K 1 13 ASP 13 13 ? ? ? I . n K 1 14 ALA 14 14 ? ? ? I . n K 1 15 GLU 15 15 ? ? ? I . n K 1 16 GLN 16 16 ? ? ? I . n K 1 17 GLU 17 17 ? ? ? I . n K 1 18 CYS 18 18 ? ? ? I . n K 1 19 ARG 19 19 ? ? ? I . n K 1 20 LYS 20 20 ? ? ? I . n K 1 21 GLY 21 21 ? ? ? I . n K 1 22 ASP 22 22 ? ? ? I . n K 1 23 PHE 23 23 ? ? ? I . n K 1 24 THR 24 24 ? ? ? I . n K 1 25 ASN 25 25 ? ? ? I . n K 1 26 ALA 26 26 ? ? ? I . n K 1 27 LYS 27 27 ? ? ? I . n K 1 28 ALA 28 28 ? ? ? I . n K 1 29 LYS 29 29 ? ? ? I . n K 1 30 TYR 30 30 ? ? ? I . n K 1 31 GLN 31 31 ? ? ? I . n K 1 32 GLU 32 32 ? ? ? I . n K 1 33 ALA 33 33 ? ? ? I . n K 1 34 ILE 34 34 ? ? ? I . n K 1 35 GLU 35 35 ? ? ? I . n K 1 36 VAL 36 36 ? ? ? I . n K 1 37 LEU 37 37 ? ? ? I . n K 1 38 GLY 38 38 ? ? ? I . n K 1 39 PRO 39 39 ? ? ? I . n K 1 40 GLN 40 40 ? ? ? I . n K 1 41 ASN 41 41 ? ? ? I . n K 1 42 GLU 42 42 ? ? ? I . n K 1 43 ASN 43 43 ? ? ? I . n K 1 44 LEU 44 44 ? ? ? I . n K 1 45 SER 45 45 ? ? ? I . n K 1 46 GLN 46 46 ? ? ? I . n K 1 47 ASN 47 47 ? ? ? I . n K 1 48 LYS 48 48 ? ? ? I . n K 1 49 LEU 49 49 ? ? ? I . n K 1 50 SER 50 50 ? ? ? I . n K 1 51 SER 51 51 ? ? ? I . n K 1 52 ASP 52 52 ? ? ? I . n K 1 53 VAL 53 53 ? ? ? I . n K 1 54 THR 54 54 ? ? ? I . n K 1 55 GLN 55 55 ? ? ? I . n K 1 56 ALA 56 56 ? ? ? I . n K 1 57 ILE 57 57 ? ? ? I . n K 1 58 ASP 58 58 ? ? ? I . n K 1 59 LEU 59 59 ? ? ? I . n K 1 60 LEU 60 60 ? ? ? I . n K 1 61 LYS 61 61 ? ? ? I . n K 1 62 GLN 62 62 ? ? ? I . n K 1 63 ASP 63 63 ? ? ? I . n K 1 64 ILE 64 64 ? ? ? I . n K 1 65 THR 65 65 ? ? ? I . n K 1 66 ALA 66 66 ? ? ? I . n K 1 67 LYS 67 67 ? ? ? I . n K 1 68 ILE 68 68 ? ? ? I . n K 1 69 GLN 69 69 ? ? ? I . n K 1 70 GLU 70 70 ? ? ? I . n K 1 71 LEU 71 71 ? ? ? I . n K 1 72 GLU 72 72 ? ? ? I . n K 1 73 LEU 73 73 ? ? ? I . n K 1 74 LEU 74 74 ? ? ? I . n K 1 75 ILE 75 75 ? ? ? I . n K 1 76 GLU 76 76 ? ? ? I . n K 1 77 LYS 77 77 ? ? ? I . n K 1 78 GLN 78 78 ? ? ? I . n K 1 79 SER 79 79 ? ? ? I . n K 1 80 SER 80 80 ? ? ? I . n K 1 81 GLU 81 81 ? ? ? I . n K 1 82 GLU 82 82 ? ? ? I . n K 1 83 ASN 83 83 ? ? ? I . n K 1 84 ASN 84 84 ? ? ? I . n K 1 85 ILE 85 85 ? ? ? I . n K 1 86 GLY 86 86 ? ? ? I . n K 1 87 MET 87 87 ? ? ? I . n K 1 88 VAL 88 88 ? ? ? I . n K 1 89 ASN 89 89 ? ? ? I . n K 1 90 ASN 90 90 ? ? ? I . n K 1 91 ASN 91 91 ? ? ? I . n K 1 92 MET 92 92 ? ? ? I . n K 1 93 LEU 93 93 ? ? ? I . n K 1 94 ILE 94 94 ? ? ? I . n K 1 95 GLY 95 95 ? ? ? I . n K 1 96 SER 96 96 ? ? ? I . n K 1 97 VAL 97 97 ? ? ? I . n K 1 98 ILE 98 98 ? ? ? I . n K 1 99 LEU 99 99 ? ? ? I . n K 1 100 ASN 100 100 ? ? ? I . n K 1 101 ASN 101 101 ? ? ? I . n K 1 102 LYS 102 102 ? ? ? I . n K 1 103 SER 103 103 ? ? ? I . n K 1 104 PRO 104 104 ? ? ? I . n K 1 105 ILE 105 105 ? ? ? I . n K 1 106 ASN 106 106 ? ? ? I . n K 1 107 GLY 107 107 ? ? ? I . n K 1 108 ILE 108 108 ? ? ? I . n K 1 109 SER 109 109 ? ? ? I . n K 1 110 ASN 110 110 ? ? ? I . n K 1 111 ALA 111 111 ? ? ? I . n K 1 112 ARG 112 112 ? ? ? I . n K 1 113 ASN 113 113 ? ? ? I . n K 1 114 TRP 114 114 ? ? ? I . n K 1 115 ASP 115 115 ? ? ? I . n K 1 116 ASN 116 116 ? ? ? I . n K 1 117 PRO 117 117 ? ? ? I . n K 1 118 ALA 118 118 ? ? ? I . n K 1 119 TYR 119 119 ? ? ? I . n K 1 120 GLN 120 120 ? ? ? I . n K 1 121 ASP 121 121 121 ASP ASP I . n K 1 122 THR 122 122 122 THR THR I . n K 1 123 LEU 123 123 123 LEU LEU I . n K 1 124 SER 124 124 124 SER SER I . n K 1 125 PRO 125 125 125 PRO PRO I . n K 1 126 ILE 126 126 126 ILE ILE I . n K 1 127 ASN 127 127 127 ASN ASN I . n K 1 128 ASP 128 128 128 ASP ASP I . n K 1 129 PRO 129 129 129 PRO PRO I . n K 1 130 LEU 130 130 130 LEU LEU I . n K 1 131 LEU 131 131 131 LEU LEU I . n K 1 132 MET 132 132 132 MET MET I . n K 1 133 SER 133 133 133 SER SER I . n K 1 134 ILE 134 134 134 ILE ILE I . n K 1 135 LEU 135 135 135 LEU LEU I . n K 1 136 ASN 136 136 136 ASN ASN I . n K 1 137 ARG 137 137 137 ARG ARG I . n K 1 138 LEU 138 138 138 LEU LEU I . n K 1 139 GLN 139 139 139 GLN GLN I . n K 1 140 PHE 140 140 140 PHE PHE I . n K 1 141 ASN 141 141 141 ASN ASN I . n K 1 142 LEU 142 142 142 LEU LEU I . n K 1 143 ASN 143 143 143 ASN ASN I . n K 1 144 ASN 144 144 144 ASN ASN I . n K 1 145 ASP 145 145 145 ASP ASP I . n K 1 146 ILE 146 146 146 ILE ILE I . n K 1 147 GLN 147 147 147 GLN GLN I . n K 1 148 LEU 148 148 148 LEU LEU I . n K 1 149 LYS 149 149 149 LYS LYS I . n K 1 150 THR 150 150 ? ? ? I . n K 1 151 GLU 151 151 ? ? ? I . n K 1 152 GLY 152 152 ? ? ? I . n K 1 153 GLY 153 153 ? ? ? I . n K 1 154 LYS 154 154 ? ? ? I . n K 1 155 ASN 155 155 ? ? ? I . n K 1 156 SER 156 156 ? ? ? I . n K 1 157 LYS 157 157 ? ? ? I . n K 1 158 ASN 158 158 ? ? ? I . n K 1 159 SER 159 159 ? ? ? I . n K 1 160 GLU 160 160 ? ? ? I . n K 1 161 MET 161 161 ? ? ? I . n K 1 162 LYS 162 162 ? ? ? I . n K 1 163 ILE 163 163 ? ? ? I . n K 1 164 ASN 164 164 ? ? ? I . n K 1 165 LEU 165 165 ? ? ? I . n K 1 166 ARG 166 166 ? ? ? I . n K 1 167 LEU 167 167 ? ? ? I . n K 1 168 GLU 168 168 ? ? ? I . n K 1 169 GLN 169 169 ? ? ? I . n K 1 170 PHE 170 170 ? ? ? I . n K 1 171 LYS 171 171 ? ? ? I . n K 1 172 LYS 172 172 ? ? ? I . n K 1 173 GLU 173 173 ? ? ? I . n K 1 174 LEU 174 174 ? ? ? I . n K 1 175 VAL 175 175 ? ? ? I . n K 1 176 LEU 176 176 ? ? ? I . n K 1 177 TYR 177 177 ? ? ? I . n K 1 178 GLU 178 178 ? ? ? I . n K 1 179 GLN 179 179 ? ? ? I . n K 1 180 LYS 180 180 ? ? ? I . n K 1 181 LYS 181 181 ? ? ? I . n K 1 182 PHE 182 182 ? ? ? I . n K 1 183 LYS 183 183 ? ? ? I . n K 1 184 GLU 184 184 ? ? ? I . n K 1 185 TYR 185 185 ? ? ? I . n K 1 186 GLY 186 186 ? ? ? I . n K 1 187 MET 187 187 ? ? ? I . n K 1 188 LYS 188 188 ? ? ? I . n K 1 189 ILE 189 189 ? ? ? I . n K 1 190 ASP 190 190 ? ? ? I . n K 1 191 GLU 191 191 ? ? ? I . n K 1 192 ILE 192 192 ? ? ? I . n K 1 193 THR 193 193 ? ? ? I . n K 1 194 LYS 194 194 ? ? ? I . n K 1 195 GLU 195 195 ? ? ? I . n K 1 196 ASN 196 196 ? ? ? I . n K 1 197 LYS 197 197 ? ? ? I . n K 1 198 LYS 198 198 ? ? ? I . n K 1 199 LEU 199 199 ? ? ? I . n K 1 200 ALA 200 200 ? ? ? I . n K 1 201 ASN 201 201 ? ? ? I . n K 1 202 GLU 202 202 ? ? ? I . n K 1 203 ILE 203 203 ? ? ? I . n K 1 204 GLY 204 204 ? ? ? I . n K 1 205 ARG 205 205 ? ? ? I . n K 1 206 LEU 206 206 ? ? ? I . n K 1 207 ARG 207 207 ? ? ? I . n K 1 208 GLU 208 208 ? ? ? I . n K 1 209 ARG 209 209 ? ? ? I . n K 1 210 TRP 210 210 ? ? ? I . n K 1 211 ASP 211 211 ? ? ? I . n K 1 212 SER 212 212 ? ? ? I . n K 1 213 LEU 213 213 ? ? ? I . n K 1 214 VAL 214 214 ? ? ? I . n K 1 215 GLU 215 215 ? ? ? I . n K 1 216 SER 216 216 ? ? ? I . n K 1 217 ALA 217 217 ? ? ? I . n K 1 218 LYS 218 218 ? ? ? I . n K 1 219 GLN 219 219 ? ? ? I . n K 1 220 ARG 220 220 ? ? ? I . n K 1 221 ARG 221 221 ? ? ? I . n K 1 222 ASP 222 222 ? ? ? I . n K 1 223 LYS 223 223 ? ? ? I . n K 1 224 GLN 224 224 ? ? ? I . n K 1 225 LYS 225 225 ? ? ? I . n K 1 226 ASN 226 226 ? ? ? I . n L 1 1 MET 1 1 ? ? ? J . n L 1 2 SER 2 2 ? ? ? J . n L 1 3 THR 3 3 ? ? ? J . n L 1 4 LEU 4 4 ? ? ? J . n L 1 5 ALA 5 5 ? ? ? J . n L 1 6 GLU 6 6 ? ? ? J . n L 1 7 VAL 7 7 ? ? ? J . n L 1 8 TYR 8 8 ? ? ? J . n L 1 9 THR 9 9 ? ? ? J . n L 1 10 ILE 10 10 ? ? ? J . n L 1 11 ILE 11 11 ? ? ? J . n L 1 12 GLU 12 12 ? ? ? J . n L 1 13 ASP 13 13 ? ? ? J . n L 1 14 ALA 14 14 ? ? ? J . n L 1 15 GLU 15 15 ? ? ? J . n L 1 16 GLN 16 16 ? ? ? J . n L 1 17 GLU 17 17 ? ? ? J . n L 1 18 CYS 18 18 ? ? ? J . n L 1 19 ARG 19 19 ? ? ? J . n L 1 20 LYS 20 20 ? ? ? J . n L 1 21 GLY 21 21 ? ? ? J . n L 1 22 ASP 22 22 ? ? ? J . n L 1 23 PHE 23 23 ? ? ? J . n L 1 24 THR 24 24 ? ? ? J . n L 1 25 ASN 25 25 ? ? ? J . n L 1 26 ALA 26 26 ? ? ? J . n L 1 27 LYS 27 27 ? ? ? J . n L 1 28 ALA 28 28 ? ? ? J . n L 1 29 LYS 29 29 ? ? ? J . n L 1 30 TYR 30 30 ? ? ? J . n L 1 31 GLN 31 31 ? ? ? J . n L 1 32 GLU 32 32 ? ? ? J . n L 1 33 ALA 33 33 ? ? ? J . n L 1 34 ILE 34 34 ? ? ? J . n L 1 35 GLU 35 35 ? ? ? J . n L 1 36 VAL 36 36 ? ? ? J . n L 1 37 LEU 37 37 ? ? ? J . n L 1 38 GLY 38 38 ? ? ? J . n L 1 39 PRO 39 39 ? ? ? J . n L 1 40 GLN 40 40 ? ? ? J . n L 1 41 ASN 41 41 ? ? ? J . n L 1 42 GLU 42 42 ? ? ? J . n L 1 43 ASN 43 43 ? ? ? J . n L 1 44 LEU 44 44 ? ? ? J . n L 1 45 SER 45 45 ? ? ? J . n L 1 46 GLN 46 46 ? ? ? J . n L 1 47 ASN 47 47 ? ? ? J . n L 1 48 LYS 48 48 ? ? ? J . n L 1 49 LEU 49 49 ? ? ? J . n L 1 50 SER 50 50 ? ? ? J . n L 1 51 SER 51 51 ? ? ? J . n L 1 52 ASP 52 52 ? ? ? J . n L 1 53 VAL 53 53 ? ? ? J . n L 1 54 THR 54 54 ? ? ? J . n L 1 55 GLN 55 55 ? ? ? J . n L 1 56 ALA 56 56 ? ? ? J . n L 1 57 ILE 57 57 ? ? ? J . n L 1 58 ASP 58 58 ? ? ? J . n L 1 59 LEU 59 59 ? ? ? J . n L 1 60 LEU 60 60 ? ? ? J . n L 1 61 LYS 61 61 ? ? ? J . n L 1 62 GLN 62 62 ? ? ? J . n L 1 63 ASP 63 63 ? ? ? J . n L 1 64 ILE 64 64 ? ? ? J . n L 1 65 THR 65 65 ? ? ? J . n L 1 66 ALA 66 66 ? ? ? J . n L 1 67 LYS 67 67 ? ? ? J . n L 1 68 ILE 68 68 ? ? ? J . n L 1 69 GLN 69 69 ? ? ? J . n L 1 70 GLU 70 70 ? ? ? J . n L 1 71 LEU 71 71 ? ? ? J . n L 1 72 GLU 72 72 ? ? ? J . n L 1 73 LEU 73 73 ? ? ? J . n L 1 74 LEU 74 74 ? ? ? J . n L 1 75 ILE 75 75 ? ? ? J . n L 1 76 GLU 76 76 ? ? ? J . n L 1 77 LYS 77 77 ? ? ? J . n L 1 78 GLN 78 78 ? ? ? J . n L 1 79 SER 79 79 ? ? ? J . n L 1 80 SER 80 80 ? ? ? J . n L 1 81 GLU 81 81 ? ? ? J . n L 1 82 GLU 82 82 ? ? ? J . n L 1 83 ASN 83 83 ? ? ? J . n L 1 84 ASN 84 84 ? ? ? J . n L 1 85 ILE 85 85 ? ? ? J . n L 1 86 GLY 86 86 ? ? ? J . n L 1 87 MET 87 87 ? ? ? J . n L 1 88 VAL 88 88 ? ? ? J . n L 1 89 ASN 89 89 ? ? ? J . n L 1 90 ASN 90 90 ? ? ? J . n L 1 91 ASN 91 91 ? ? ? J . n L 1 92 MET 92 92 ? ? ? J . n L 1 93 LEU 93 93 ? ? ? J . n L 1 94 ILE 94 94 ? ? ? J . n L 1 95 GLY 95 95 ? ? ? J . n L 1 96 SER 96 96 ? ? ? J . n L 1 97 VAL 97 97 ? ? ? J . n L 1 98 ILE 98 98 ? ? ? J . n L 1 99 LEU 99 99 ? ? ? J . n L 1 100 ASN 100 100 ? ? ? J . n L 1 101 ASN 101 101 ? ? ? J . n L 1 102 LYS 102 102 ? ? ? J . n L 1 103 SER 103 103 ? ? ? J . n L 1 104 PRO 104 104 ? ? ? J . n L 1 105 ILE 105 105 ? ? ? J . n L 1 106 ASN 106 106 ? ? ? J . n L 1 107 GLY 107 107 ? ? ? J . n L 1 108 ILE 108 108 ? ? ? J . n L 1 109 SER 109 109 ? ? ? J . n L 1 110 ASN 110 110 ? ? ? J . n L 1 111 ALA 111 111 ? ? ? J . n L 1 112 ARG 112 112 ? ? ? J . n L 1 113 ASN 113 113 ? ? ? J . n L 1 114 TRP 114 114 ? ? ? J . n L 1 115 ASP 115 115 ? ? ? J . n L 1 116 ASN 116 116 ? ? ? J . n L 1 117 PRO 117 117 ? ? ? J . n L 1 118 ALA 118 118 ? ? ? J . n L 1 119 TYR 119 119 ? ? ? J . n L 1 120 GLN 120 120 ? ? ? J . n L 1 121 ASP 121 121 ? ? ? J . n L 1 122 THR 122 122 ? ? ? J . n L 1 123 LEU 123 123 ? ? ? J . n L 1 124 SER 124 124 ? ? ? J . n L 1 125 PRO 125 125 ? ? ? J . n L 1 126 ILE 126 126 ? ? ? J . n L 1 127 ASN 127 127 ? ? ? J . n L 1 128 ASP 128 128 ? ? ? J . n L 1 129 PRO 129 129 ? ? ? J . n L 1 130 LEU 130 130 ? ? ? J . n L 1 131 LEU 131 131 ? ? ? J . n L 1 132 MET 132 132 ? ? ? J . n L 1 133 SER 133 133 ? ? ? J . n L 1 134 ILE 134 134 ? ? ? J . n L 1 135 LEU 135 135 ? ? ? J . n L 1 136 ASN 136 136 ? ? ? J . n L 1 137 ARG 137 137 ? ? ? J . n L 1 138 LEU 138 138 ? ? ? J . n L 1 139 GLN 139 139 ? ? ? J . n L 1 140 PHE 140 140 ? ? ? J . n L 1 141 ASN 141 141 ? ? ? J . n L 1 142 LEU 142 142 ? ? ? J . n L 1 143 ASN 143 143 ? ? ? J . n L 1 144 ASN 144 144 ? ? ? J . n L 1 145 ASP 145 145 ? ? ? J . n L 1 146 ILE 146 146 ? ? ? J . n L 1 147 GLN 147 147 ? ? ? J . n L 1 148 LEU 148 148 ? ? ? J . n L 1 149 LYS 149 149 ? ? ? J . n L 1 150 THR 150 150 ? ? ? J . n L 1 151 GLU 151 151 ? ? ? J . n L 1 152 GLY 152 152 ? ? ? J . n L 1 153 GLY 153 153 ? ? ? J . n L 1 154 LYS 154 154 ? ? ? J . n L 1 155 ASN 155 155 ? ? ? J . n L 1 156 SER 156 156 ? ? ? J . n L 1 157 LYS 157 157 157 LYS LYS J . n L 1 158 ASN 158 158 158 ASN ASN J . n L 1 159 SER 159 159 159 SER SER J . n L 1 160 GLU 160 160 160 GLU GLU J . n L 1 161 MET 161 161 161 MET MET J . n L 1 162 LYS 162 162 162 LYS LYS J . n L 1 163 ILE 163 163 163 ILE ILE J . n L 1 164 ASN 164 164 164 ASN ASN J . n L 1 165 LEU 165 165 165 LEU LEU J . n L 1 166 ARG 166 166 166 ARG ARG J . n L 1 167 LEU 167 167 167 LEU LEU J . n L 1 168 GLU 168 168 168 GLU GLU J . n L 1 169 GLN 169 169 169 GLN GLN J . n L 1 170 PHE 170 170 170 PHE PHE J . n L 1 171 LYS 171 171 171 LYS LYS J . n L 1 172 LYS 172 172 172 LYS LYS J . n L 1 173 GLU 173 173 173 GLU GLU J . n L 1 174 LEU 174 174 174 LEU LEU J . n L 1 175 VAL 175 175 175 VAL VAL J . n L 1 176 LEU 176 176 176 LEU LEU J . n L 1 177 TYR 177 177 177 TYR TYR J . n L 1 178 GLU 178 178 178 GLU GLU J . n L 1 179 GLN 179 179 179 GLN GLN J . n L 1 180 LYS 180 180 180 LYS LYS J . n L 1 181 LYS 181 181 181 LYS LYS J . n L 1 182 PHE 182 182 182 PHE PHE J . n L 1 183 LYS 183 183 183 LYS LYS J . n L 1 184 GLU 184 184 184 GLU GLU J . n L 1 185 TYR 185 185 185 TYR TYR J . n L 1 186 GLY 186 186 186 GLY GLY J . n L 1 187 MET 187 187 187 MET MET J . n L 1 188 LYS 188 188 188 LYS LYS J . n L 1 189 ILE 189 189 189 ILE ILE J . n L 1 190 ASP 190 190 190 ASP ASP J . n L 1 191 GLU 191 191 191 GLU GLU J . n L 1 192 ILE 192 192 192 ILE ILE J . n L 1 193 THR 193 193 193 THR THR J . n L 1 194 LYS 194 194 194 LYS LYS J . n L 1 195 GLU 195 195 195 GLU GLU J . n L 1 196 ASN 196 196 196 ASN ASN J . n L 1 197 LYS 197 197 197 LYS LYS J . n L 1 198 LYS 198 198 198 LYS LYS J . n L 1 199 LEU 199 199 199 LEU LEU J . n L 1 200 ALA 200 200 200 ALA ALA J . n L 1 201 ASN 201 201 201 ASN ASN J . n L 1 202 GLU 202 202 202 GLU GLU J . n L 1 203 ILE 203 203 203 ILE ILE J . n L 1 204 GLY 204 204 204 GLY GLY J . n L 1 205 ARG 205 205 205 ARG ARG J . n L 1 206 LEU 206 206 206 LEU LEU J . n L 1 207 ARG 207 207 207 ARG ARG J . n L 1 208 GLU 208 208 208 GLU GLU J . n L 1 209 ARG 209 209 209 ARG ARG J . n L 1 210 TRP 210 210 210 TRP TRP J . n L 1 211 ASP 211 211 211 ASP ASP J . n L 1 212 SER 212 212 212 SER SER J . n L 1 213 LEU 213 213 213 LEU LEU J . n L 1 214 VAL 214 214 214 VAL VAL J . n L 1 215 GLU 215 215 ? ? ? J . n L 1 216 SER 216 216 ? ? ? J . n L 1 217 ALA 217 217 ? ? ? J . n L 1 218 LYS 218 218 ? ? ? J . n L 1 219 GLN 219 219 ? ? ? J . n L 1 220 ARG 220 220 ? ? ? J . n L 1 221 ARG 221 221 ? ? ? J . n L 1 222 ASP 222 222 ? ? ? J . n L 1 223 LYS 223 223 ? ? ? J . n L 1 224 GLN 224 224 ? ? ? J . n L 1 225 LYS 225 225 ? ? ? J . n L 1 226 ASN 226 226 ? ? ? J . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code M 2 NA 1 301 33 NA NA C . N 3 NO3 1 302 3 NO3 NO3 C . O 4 EDO 1 303 1 EDO EDO C . P 4 EDO 1 304 23 EDO EDO C . Q 2 NA 1 301 12 NA NA D . R 2 NA 1 302 20 NA NA D . S 3 NO3 1 303 22 NO3 NO3 D . T 3 NO3 1 304 28 NO3 NO3 D . U 5 CL 1 305 8 CL CL D . V 5 CL 1 306 24 CL CL D . W 3 NO3 1 301 8 NO3 NO3 A . X 3 NO3 1 302 29 NO3 NO3 A . Y 4 EDO 1 303 22 EDO EDO A . Z 4 EDO 1 304 24 EDO EDO A . AA 2 NA 1 301 27 NA NA B . BA 3 NO3 1 302 9 NO3 NO3 B . CA 3 NO3 1 301 4 NO3 NO3 G . DA 3 NO3 1 302 11 NO3 NO3 G . EA 3 NO3 1 303 15 NO3 NO3 G . FA 3 NO3 1 304 19 NO3 NO3 G . GA 3 NO3 1 301 23 NO3 NO3 H . HA 2 NA 1 301 18 NA NA K . IA 2 NA 1 302 31 NA NA K . JA 2 NA 1 303 34 NA NA K . KA 3 NO3 1 304 25 NO3 NO3 K . LA 3 NO3 1 305 27 NO3 NO3 K . MA 3 NO3 1 306 30 NO3 NO3 K . NA 6 NH4 1 307 6 NH4 NH4 K . OA 4 EDO 1 308 19 EDO EDO K . PA 7 SO4 1 309 2 SO4 SO4 K . QA 4 EDO 1 301 14 EDO EDO L . RA 2 NA 1 301 14 NA NA E . SA 5 CL 1 302 21 CL CL E . TA 5 CL 1 303 25 CL CL E . UA 8 IOD 1 304 1 IOD IOD E . VA 2 NA 1 301 15 NA NA F . WA 2 NA 1 302 9 NA NA F . XA 2 NA 1 303 36 NA NA F . YA 2 NA 1 304 37 NA NA F . ZA 3 NO3 1 305 21 NO3 NO3 F . AB 5 CL 1 306 6 CL CL F . BB 5 CL 1 307 22 CL CL F . CB 2 NA 1 301 13 NA NA I . DB 2 NA 1 302 32 NA NA I . EB 3 NO3 1 303 14 NO3 NO3 I . FB 3 NO3 1 304 18 NO3 NO3 I . GB 4 EDO 1 305 15 EDO EDO I . HB 3 NO3 1 301 26 NO3 NO3 J . IB 6 NH4 1 302 7 NH4 NH4 J . JB 4 EDO 1 303 9 EDO EDO J . KB 4 EDO 1 304 21 EDO EDO J . LB 9 HOH 1 401 222 HOH HOH C . LB 9 HOH 2 402 273 HOH HOH C . LB 9 HOH 3 403 223 HOH HOH C . MB 9 HOH 1 401 258 HOH HOH D . NB 9 HOH 1 401 276 HOH HOH A . NB 9 HOH 2 402 28 HOH HOH A . NB 9 HOH 3 403 268 HOH HOH A . NB 9 HOH 4 404 211 HOH HOH A . NB 9 HOH 5 405 270 HOH HOH A . NB 9 HOH 6 406 210 HOH HOH A . NB 9 HOH 7 407 267 HOH HOH A . NB 9 HOH 8 408 5 HOH HOH A . NB 9 HOH 9 409 255 HOH HOH A . OB 9 HOH 1 401 245 HOH HOH B . PB 9 HOH 1 401 163 HOH HOH G . PB 9 HOH 2 402 271 HOH HOH G . PB 9 HOH 3 403 243 HOH HOH G . PB 9 HOH 4 404 250 HOH HOH G . PB 9 HOH 5 405 248 HOH HOH G . PB 9 HOH 6 406 272 HOH HOH G . PB 9 HOH 7 407 185 HOH HOH G . QB 9 HOH 1 401 259 HOH HOH H . QB 9 HOH 2 402 260 HOH HOH H . QB 9 HOH 3 403 249 HOH HOH H . RB 9 HOH 1 401 11 HOH HOH K . RB 9 HOH 2 402 23 HOH HOH K . RB 9 HOH 3 403 174 HOH HOH K . RB 9 HOH 4 404 257 HOH HOH K . SB 9 HOH 1 401 262 HOH HOH L . SB 9 HOH 2 402 275 HOH HOH L . TB 9 HOH 1 401 153 HOH HOH E . TB 9 HOH 2 402 9 HOH HOH E . TB 9 HOH 3 403 173 HOH HOH E . TB 9 HOH 4 404 269 HOH HOH E . UB 9 HOH 1 401 265 HOH HOH F . UB 9 HOH 2 402 263 HOH HOH F . VB 9 HOH 1 401 253 HOH HOH I . VB 9 HOH 2 402 177 HOH HOH I . VB 9 HOH 3 403 274 HOH HOH I . WB 9 HOH 1 401 147 HOH HOH J . WB 9 HOH 2 402 24 HOH HOH J . WB 9 HOH 3 403 266 HOH HOH J . WB 9 HOH 4 404 3 HOH HOH J . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? tetrameric 4 2 author_defined_assembly ? tetrameric 4 3 author_defined_assembly ? tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,LB,MB,NB,OB 2 1 E,F,I,J,CA,DA,EA,FA,GA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB,BB,PB,QB,TB,UB 3 1 G,H,K,L,HA,IA,JA,KA,LA,MA,NA,OA,PA,QA,CB,DB,EB,FB,GB,HB,IB,JB,KB,RB,SB,VB,WB # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD1 ? G ASN 136 ? K ASN 136 ? 1_555 NA ? IA NA . ? K NA 302 ? 1_555 O3 ? LA NO3 . ? K NO3 305 ? 1_555 134.5 ? 2 OD1 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 OD2 ? G ASP 145 ? K ASP 145 ? 1_555 45.6 ? 3 OD1 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O2 ? PA SO4 . ? K SO4 309 ? 1_555 128.6 ? 4 OD2 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O2 ? PA SO4 . ? K SO4 309 ? 1_555 84.3 ? 5 OD1 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? NB HOH . ? A HOH 406 ? 1_556 85.6 ? 6 OD2 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? NB HOH . ? A HOH 406 ? 1_556 105.8 ? 7 O2 ? PA SO4 . ? K SO4 309 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? NB HOH . ? A HOH 406 ? 1_556 101.4 ? 8 OD1 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? TB HOH . ? E HOH 402 ? 1_556 79.9 ? 9 OD2 ? G ASP 145 ? K ASP 145 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? TB HOH . ? E HOH 402 ? 1_556 104.9 ? 10 O2 ? PA SO4 . ? K SO4 309 ? 1_555 NA ? HA NA . ? K NA 301 ? 1_555 O ? TB HOH . ? E HOH 402 ? 1_556 133.6 ? 11 O ? NB HOH . ? A HOH 406 ? 1_556 NA ? HA NA . ? K NA 301 ? 1_555 O ? TB HOH . ? E HOH 402 ? 1_556 118.5 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-10-05 2 'Structure model' 1 1 2016-10-19 3 'Structure model' 1 2 2016-11-09 4 'Structure model' 2 0 2017-09-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Atomic model' 4 4 'Structure model' 'Author supporting evidence' 5 4 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' atom_site 2 4 'Structure model' pdbx_audit_support 3 4 'Structure model' pdbx_struct_assembly_gen 4 4 'Structure model' pdbx_struct_conn_angle 5 4 'Structure model' struct_conn 6 4 'Structure model' struct_site 7 4 'Structure model' struct_site_gen # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_atom_site.B_iso_or_equiv' 2 4 'Structure model' '_atom_site.Cartn_x' 3 4 'Structure model' '_atom_site.Cartn_y' 4 4 'Structure model' '_atom_site.Cartn_z' 5 4 'Structure model' '_atom_site.auth_asym_id' 6 4 'Structure model' '_atom_site.auth_atom_id' 7 4 'Structure model' '_atom_site.auth_comp_id' 8 4 'Structure model' '_atom_site.auth_seq_id' 9 4 'Structure model' '_atom_site.label_asym_id' 10 4 'Structure model' '_atom_site.label_atom_id' 11 4 'Structure model' '_atom_site.label_comp_id' 12 4 'Structure model' '_atom_site.label_entity_id' 13 4 'Structure model' '_atom_site.type_symbol' 14 4 'Structure model' '_pdbx_audit_support.funding_organization' 15 4 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' 16 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id' 17 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_asym_id' 18 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' 19 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' 20 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' 21 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' 22 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' 23 4 'Structure model' '_struct_site.details' 24 4 'Structure model' '_struct_site.pdbx_auth_asym_id' 25 4 'Structure model' '_struct_site.pdbx_auth_seq_id' 26 4 'Structure model' '_struct_site_gen.auth_asym_id' 27 4 'Structure model' '_struct_site_gen.auth_seq_id' 28 4 'Structure model' '_struct_site_gen.label_asym_id' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? dev_1810 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? autoSHARP ? ? ? . 4 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ILE A 126 ? ? 72.58 98.71 2 1 PRO K 125 ? ? -89.57 48.55 3 1 ASN K 144 ? ? -107.26 -73.05 4 1 ASP K 145 ? ? -64.11 1.99 5 1 SER E 124 ? ? -146.97 -21.50 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 C MET 1 ? A MET 1 2 1 Y 1 C SER 2 ? A SER 2 3 1 Y 1 C THR 3 ? A THR 3 4 1 Y 1 C LEU 4 ? A LEU 4 5 1 Y 1 C ALA 5 ? A ALA 5 6 1 Y 1 C GLU 6 ? A GLU 6 7 1 Y 1 C VAL 7 ? A VAL 7 8 1 Y 1 C TYR 8 ? A TYR 8 9 1 Y 1 C THR 9 ? A THR 9 10 1 Y 1 C ILE 10 ? A ILE 10 11 1 Y 1 C ILE 11 ? A ILE 11 12 1 Y 1 C GLU 12 ? A GLU 12 13 1 Y 1 C ASP 13 ? A ASP 13 14 1 Y 1 C ALA 14 ? A ALA 14 15 1 Y 1 C GLU 15 ? A GLU 15 16 1 Y 1 C GLN 16 ? A GLN 16 17 1 Y 1 C GLU 17 ? A GLU 17 18 1 Y 1 C CYS 18 ? A CYS 18 19 1 Y 1 C ARG 19 ? A ARG 19 20 1 Y 1 C LYS 20 ? A LYS 20 21 1 Y 1 C GLY 21 ? A GLY 21 22 1 Y 1 C ASP 22 ? A ASP 22 23 1 Y 1 C PHE 23 ? A PHE 23 24 1 Y 1 C THR 24 ? A THR 24 25 1 Y 1 C ASN 25 ? A ASN 25 26 1 Y 1 C ALA 26 ? A ALA 26 27 1 Y 1 C LYS 27 ? A LYS 27 28 1 Y 1 C ALA 28 ? A ALA 28 29 1 Y 1 C LYS 29 ? A LYS 29 30 1 Y 1 C TYR 30 ? A TYR 30 31 1 Y 1 C GLN 31 ? A GLN 31 32 1 Y 1 C GLU 32 ? A GLU 32 33 1 Y 1 C ALA 33 ? A ALA 33 34 1 Y 1 C ILE 34 ? A ILE 34 35 1 Y 1 C GLU 35 ? A GLU 35 36 1 Y 1 C VAL 36 ? A VAL 36 37 1 Y 1 C LEU 37 ? A LEU 37 38 1 Y 1 C GLY 38 ? A GLY 38 39 1 Y 1 C PRO 39 ? A PRO 39 40 1 Y 1 C GLN 40 ? A GLN 40 41 1 Y 1 C ASN 41 ? A ASN 41 42 1 Y 1 C GLU 42 ? A GLU 42 43 1 Y 1 C ASN 43 ? A ASN 43 44 1 Y 1 C LEU 44 ? A LEU 44 45 1 Y 1 C SER 45 ? A SER 45 46 1 Y 1 C GLN 46 ? A GLN 46 47 1 Y 1 C ASN 47 ? A ASN 47 48 1 Y 1 C LYS 48 ? A LYS 48 49 1 Y 1 C LEU 49 ? A LEU 49 50 1 Y 1 C SER 50 ? A SER 50 51 1 Y 1 C SER 51 ? A SER 51 52 1 Y 1 C ASP 52 ? A ASP 52 53 1 Y 1 C VAL 53 ? A VAL 53 54 1 Y 1 C THR 54 ? A THR 54 55 1 Y 1 C GLN 55 ? A GLN 55 56 1 Y 1 C ALA 56 ? A ALA 56 57 1 Y 1 C ILE 57 ? A ILE 57 58 1 Y 1 C ASP 58 ? A ASP 58 59 1 Y 1 C LEU 59 ? A LEU 59 60 1 Y 1 C LEU 60 ? A LEU 60 61 1 Y 1 C LYS 61 ? A LYS 61 62 1 Y 1 C GLN 62 ? A GLN 62 63 1 Y 1 C ASP 63 ? A ASP 63 64 1 Y 1 C ILE 64 ? A ILE 64 65 1 Y 1 C THR 65 ? A THR 65 66 1 Y 1 C ALA 66 ? A ALA 66 67 1 Y 1 C LYS 67 ? A LYS 67 68 1 Y 1 C ILE 68 ? A ILE 68 69 1 Y 1 C GLN 69 ? A GLN 69 70 1 Y 1 C GLU 70 ? A GLU 70 71 1 Y 1 C LEU 71 ? A LEU 71 72 1 Y 1 C GLU 72 ? A GLU 72 73 1 Y 1 C LEU 73 ? A LEU 73 74 1 Y 1 C LEU 74 ? A LEU 74 75 1 Y 1 C ILE 75 ? A ILE 75 76 1 Y 1 C GLU 76 ? A GLU 76 77 1 Y 1 C LYS 77 ? A LYS 77 78 1 Y 1 C GLN 78 ? A GLN 78 79 1 Y 1 C SER 79 ? A SER 79 80 1 Y 1 C SER 80 ? A SER 80 81 1 Y 1 C GLU 81 ? A GLU 81 82 1 Y 1 C GLU 82 ? A GLU 82 83 1 Y 1 C ASN 83 ? A ASN 83 84 1 Y 1 C ASN 84 ? A ASN 84 85 1 Y 1 C ILE 85 ? A ILE 85 86 1 Y 1 C GLY 86 ? A GLY 86 87 1 Y 1 C MET 87 ? A MET 87 88 1 Y 1 C VAL 88 ? A VAL 88 89 1 Y 1 C ASN 89 ? A ASN 89 90 1 Y 1 C ASN 90 ? A ASN 90 91 1 Y 1 C ASN 91 ? A ASN 91 92 1 Y 1 C MET 92 ? A MET 92 93 1 Y 1 C LEU 93 ? A LEU 93 94 1 Y 1 C ILE 94 ? A ILE 94 95 1 Y 1 C GLY 95 ? A GLY 95 96 1 Y 1 C SER 96 ? A SER 96 97 1 Y 1 C VAL 97 ? A VAL 97 98 1 Y 1 C ILE 98 ? A ILE 98 99 1 Y 1 C LEU 99 ? A LEU 99 100 1 Y 1 C ASN 100 ? A ASN 100 101 1 Y 1 C ASN 101 ? A ASN 101 102 1 Y 1 C LYS 102 ? A LYS 102 103 1 Y 1 C SER 103 ? A SER 103 104 1 Y 1 C PRO 104 ? A PRO 104 105 1 Y 1 C ILE 105 ? A ILE 105 106 1 Y 1 C ASN 106 ? A ASN 106 107 1 Y 1 C GLY 107 ? A GLY 107 108 1 Y 1 C ILE 108 ? A ILE 108 109 1 Y 1 C SER 109 ? A SER 109 110 1 Y 1 C ASN 110 ? A ASN 110 111 1 Y 1 C ALA 111 ? A ALA 111 112 1 Y 1 C ARG 112 ? A ARG 112 113 1 Y 1 C ASN 113 ? A ASN 113 114 1 Y 1 C TRP 114 ? A TRP 114 115 1 Y 1 C ASP 115 ? A ASP 115 116 1 Y 1 C ASN 116 ? A ASN 116 117 1 Y 1 C PRO 117 ? A PRO 117 118 1 Y 1 C ALA 118 ? A ALA 118 119 1 Y 1 C GLY 152 ? A GLY 152 120 1 Y 1 C GLY 153 ? A GLY 153 121 1 Y 1 C LYS 154 ? A LYS 154 122 1 Y 1 C ASN 155 ? A ASN 155 123 1 Y 1 C SER 156 ? A SER 156 124 1 Y 1 C LYS 157 ? A LYS 157 125 1 Y 1 C ASN 158 ? A ASN 158 126 1 Y 1 C SER 159 ? A SER 159 127 1 Y 1 C GLU 160 ? A GLU 160 128 1 Y 1 C MET 161 ? A MET 161 129 1 Y 1 C LYS 162 ? A LYS 162 130 1 Y 1 C ILE 163 ? A ILE 163 131 1 Y 1 C ASN 164 ? A ASN 164 132 1 Y 1 C LEU 165 ? A LEU 165 133 1 Y 1 C ARG 166 ? A ARG 166 134 1 Y 1 C LEU 167 ? A LEU 167 135 1 Y 1 C GLU 168 ? A GLU 168 136 1 Y 1 C GLN 169 ? A GLN 169 137 1 Y 1 C PHE 170 ? A PHE 170 138 1 Y 1 C LYS 171 ? A LYS 171 139 1 Y 1 C LYS 172 ? A LYS 172 140 1 Y 1 C GLU 173 ? A GLU 173 141 1 Y 1 C LEU 174 ? A LEU 174 142 1 Y 1 C VAL 175 ? A VAL 175 143 1 Y 1 C LEU 176 ? A LEU 176 144 1 Y 1 C TYR 177 ? A TYR 177 145 1 Y 1 C GLU 178 ? A GLU 178 146 1 Y 1 C GLN 179 ? A GLN 179 147 1 Y 1 C LYS 180 ? A LYS 180 148 1 Y 1 C LYS 181 ? A LYS 181 149 1 Y 1 C PHE 182 ? A PHE 182 150 1 Y 1 C LYS 183 ? A LYS 183 151 1 Y 1 C GLU 184 ? A GLU 184 152 1 Y 1 C TYR 185 ? A TYR 185 153 1 Y 1 C GLY 186 ? A GLY 186 154 1 Y 1 C MET 187 ? A MET 187 155 1 Y 1 C LYS 188 ? A LYS 188 156 1 Y 1 C ILE 189 ? A ILE 189 157 1 Y 1 C ASP 190 ? A ASP 190 158 1 Y 1 C GLU 191 ? A GLU 191 159 1 Y 1 C ILE 192 ? A ILE 192 160 1 Y 1 C THR 193 ? A THR 193 161 1 Y 1 C LYS 194 ? A LYS 194 162 1 Y 1 C GLU 195 ? A GLU 195 163 1 Y 1 C ASN 196 ? A ASN 196 164 1 Y 1 C LYS 197 ? A LYS 197 165 1 Y 1 C LYS 198 ? A LYS 198 166 1 Y 1 C LEU 199 ? A LEU 199 167 1 Y 1 C ALA 200 ? A ALA 200 168 1 Y 1 C ASN 201 ? A ASN 201 169 1 Y 1 C GLU 202 ? A GLU 202 170 1 Y 1 C ILE 203 ? A ILE 203 171 1 Y 1 C GLY 204 ? A GLY 204 172 1 Y 1 C ARG 205 ? A ARG 205 173 1 Y 1 C LEU 206 ? A LEU 206 174 1 Y 1 C ARG 207 ? A ARG 207 175 1 Y 1 C GLU 208 ? A GLU 208 176 1 Y 1 C ARG 209 ? A ARG 209 177 1 Y 1 C TRP 210 ? A TRP 210 178 1 Y 1 C ASP 211 ? A ASP 211 179 1 Y 1 C SER 212 ? A SER 212 180 1 Y 1 C LEU 213 ? A LEU 213 181 1 Y 1 C VAL 214 ? A VAL 214 182 1 Y 1 C GLU 215 ? A GLU 215 183 1 Y 1 C SER 216 ? A SER 216 184 1 Y 1 C ALA 217 ? A ALA 217 185 1 Y 1 C LYS 218 ? A LYS 218 186 1 Y 1 C GLN 219 ? A GLN 219 187 1 Y 1 C ARG 220 ? A ARG 220 188 1 Y 1 C ARG 221 ? A ARG 221 189 1 Y 1 C ASP 222 ? A ASP 222 190 1 Y 1 C LYS 223 ? A LYS 223 191 1 Y 1 C GLN 224 ? A GLN 224 192 1 Y 1 C LYS 225 ? A LYS 225 193 1 Y 1 C ASN 226 ? A ASN 226 194 1 Y 1 D MET 1 ? B MET 1 195 1 Y 1 D SER 2 ? B SER 2 196 1 Y 1 D THR 3 ? B THR 3 197 1 Y 1 D LEU 4 ? B LEU 4 198 1 Y 1 D ALA 5 ? B ALA 5 199 1 Y 1 D GLU 6 ? B GLU 6 200 1 Y 1 D VAL 7 ? B VAL 7 201 1 Y 1 D TYR 8 ? B TYR 8 202 1 Y 1 D THR 9 ? B THR 9 203 1 Y 1 D ILE 10 ? B ILE 10 204 1 Y 1 D ILE 11 ? B ILE 11 205 1 Y 1 D GLU 12 ? B GLU 12 206 1 Y 1 D ASP 13 ? B ASP 13 207 1 Y 1 D ALA 14 ? B ALA 14 208 1 Y 1 D GLU 15 ? B GLU 15 209 1 Y 1 D GLN 16 ? B GLN 16 210 1 Y 1 D GLU 17 ? B GLU 17 211 1 Y 1 D CYS 18 ? B CYS 18 212 1 Y 1 D ARG 19 ? B ARG 19 213 1 Y 1 D LYS 20 ? B LYS 20 214 1 Y 1 D GLY 21 ? B GLY 21 215 1 Y 1 D ASP 22 ? B ASP 22 216 1 Y 1 D PHE 23 ? B PHE 23 217 1 Y 1 D THR 24 ? B THR 24 218 1 Y 1 D ASN 25 ? B ASN 25 219 1 Y 1 D ALA 26 ? B ALA 26 220 1 Y 1 D LYS 27 ? B LYS 27 221 1 Y 1 D ALA 28 ? B ALA 28 222 1 Y 1 D LYS 29 ? B LYS 29 223 1 Y 1 D TYR 30 ? B TYR 30 224 1 Y 1 D GLN 31 ? B GLN 31 225 1 Y 1 D GLU 32 ? B GLU 32 226 1 Y 1 D ALA 33 ? B ALA 33 227 1 Y 1 D ILE 34 ? B ILE 34 228 1 Y 1 D GLU 35 ? B GLU 35 229 1 Y 1 D VAL 36 ? B VAL 36 230 1 Y 1 D LEU 37 ? B LEU 37 231 1 Y 1 D GLY 38 ? B GLY 38 232 1 Y 1 D PRO 39 ? B PRO 39 233 1 Y 1 D GLN 40 ? B GLN 40 234 1 Y 1 D ASN 41 ? B ASN 41 235 1 Y 1 D GLU 42 ? B GLU 42 236 1 Y 1 D ASN 43 ? B ASN 43 237 1 Y 1 D LEU 44 ? B LEU 44 238 1 Y 1 D SER 45 ? B SER 45 239 1 Y 1 D GLN 46 ? B GLN 46 240 1 Y 1 D ASN 47 ? B ASN 47 241 1 Y 1 D LYS 48 ? B LYS 48 242 1 Y 1 D LEU 49 ? B LEU 49 243 1 Y 1 D SER 50 ? B SER 50 244 1 Y 1 D SER 51 ? B SER 51 245 1 Y 1 D ASP 52 ? B ASP 52 246 1 Y 1 D VAL 53 ? B VAL 53 247 1 Y 1 D THR 54 ? B THR 54 248 1 Y 1 D GLN 55 ? B GLN 55 249 1 Y 1 D ALA 56 ? B ALA 56 250 1 Y 1 D ILE 57 ? B ILE 57 251 1 Y 1 D ASP 58 ? B ASP 58 252 1 Y 1 D LEU 59 ? B LEU 59 253 1 Y 1 D LEU 60 ? B LEU 60 254 1 Y 1 D LYS 61 ? B LYS 61 255 1 Y 1 D GLN 62 ? B GLN 62 256 1 Y 1 D ASP 63 ? B ASP 63 257 1 Y 1 D ILE 64 ? B ILE 64 258 1 Y 1 D THR 65 ? B THR 65 259 1 Y 1 D ALA 66 ? B ALA 66 260 1 Y 1 D LYS 67 ? B LYS 67 261 1 Y 1 D ILE 68 ? B ILE 68 262 1 Y 1 D GLN 69 ? B GLN 69 263 1 Y 1 D GLU 70 ? B GLU 70 264 1 Y 1 D LEU 71 ? B LEU 71 265 1 Y 1 D GLU 72 ? B GLU 72 266 1 Y 1 D LEU 73 ? B LEU 73 267 1 Y 1 D LEU 74 ? B LEU 74 268 1 Y 1 D ILE 75 ? B ILE 75 269 1 Y 1 D GLU 76 ? B GLU 76 270 1 Y 1 D LYS 77 ? B LYS 77 271 1 Y 1 D GLN 78 ? B GLN 78 272 1 Y 1 D SER 79 ? B SER 79 273 1 Y 1 D SER 80 ? B SER 80 274 1 Y 1 D GLU 81 ? B GLU 81 275 1 Y 1 D GLU 82 ? B GLU 82 276 1 Y 1 D ASN 83 ? B ASN 83 277 1 Y 1 D ASN 84 ? B ASN 84 278 1 Y 1 D ILE 85 ? B ILE 85 279 1 Y 1 D GLY 86 ? B GLY 86 280 1 Y 1 D MET 87 ? B MET 87 281 1 Y 1 D VAL 88 ? B VAL 88 282 1 Y 1 D ASN 89 ? B ASN 89 283 1 Y 1 D ASN 90 ? B ASN 90 284 1 Y 1 D ASN 91 ? B ASN 91 285 1 Y 1 D MET 92 ? B MET 92 286 1 Y 1 D LEU 93 ? B LEU 93 287 1 Y 1 D ILE 94 ? B ILE 94 288 1 Y 1 D GLY 95 ? B GLY 95 289 1 Y 1 D SER 96 ? B SER 96 290 1 Y 1 D VAL 97 ? B VAL 97 291 1 Y 1 D ILE 98 ? B ILE 98 292 1 Y 1 D LEU 99 ? B LEU 99 293 1 Y 1 D ASN 100 ? B ASN 100 294 1 Y 1 D ASN 101 ? B ASN 101 295 1 Y 1 D LYS 102 ? B LYS 102 296 1 Y 1 D SER 103 ? B SER 103 297 1 Y 1 D PRO 104 ? B PRO 104 298 1 Y 1 D ILE 105 ? B ILE 105 299 1 Y 1 D ASN 106 ? B ASN 106 300 1 Y 1 D GLY 107 ? B GLY 107 301 1 Y 1 D ILE 108 ? B ILE 108 302 1 Y 1 D SER 109 ? B SER 109 303 1 Y 1 D ASN 110 ? B ASN 110 304 1 Y 1 D ALA 111 ? B ALA 111 305 1 Y 1 D ARG 112 ? B ARG 112 306 1 Y 1 D ASN 113 ? B ASN 113 307 1 Y 1 D TRP 114 ? B TRP 114 308 1 Y 1 D ASP 115 ? B ASP 115 309 1 Y 1 D ASN 116 ? B ASN 116 310 1 Y 1 D PRO 117 ? B PRO 117 311 1 Y 1 D ALA 118 ? B ALA 118 312 1 Y 1 D TYR 119 ? B TYR 119 313 1 Y 1 D GLN 120 ? B GLN 120 314 1 Y 1 D ASP 121 ? B ASP 121 315 1 Y 1 D THR 122 ? B THR 122 316 1 Y 1 D LEU 123 ? B LEU 123 317 1 Y 1 D SER 124 ? B SER 124 318 1 Y 1 D PRO 125 ? B PRO 125 319 1 Y 1 D ILE 126 ? B ILE 126 320 1 Y 1 D ASN 127 ? B ASN 127 321 1 Y 1 D ASP 128 ? B ASP 128 322 1 Y 1 D PRO 129 ? B PRO 129 323 1 Y 1 D LEU 130 ? B LEU 130 324 1 Y 1 D LEU 131 ? B LEU 131 325 1 Y 1 D MET 132 ? B MET 132 326 1 Y 1 D SER 133 ? B SER 133 327 1 Y 1 D ILE 134 ? B ILE 134 328 1 Y 1 D LEU 135 ? B LEU 135 329 1 Y 1 D ASN 136 ? B ASN 136 330 1 Y 1 D ARG 137 ? B ARG 137 331 1 Y 1 D LEU 138 ? B LEU 138 332 1 Y 1 D GLN 139 ? B GLN 139 333 1 Y 1 D PHE 140 ? B PHE 140 334 1 Y 1 D ASN 141 ? B ASN 141 335 1 Y 1 D LEU 142 ? B LEU 142 336 1 Y 1 D ASN 143 ? B ASN 143 337 1 Y 1 D ASN 144 ? B ASN 144 338 1 Y 1 D ASP 145 ? B ASP 145 339 1 Y 1 D ILE 146 ? B ILE 146 340 1 Y 1 D GLN 147 ? B GLN 147 341 1 Y 1 D LEU 148 ? B LEU 148 342 1 Y 1 D LYS 149 ? B LYS 149 343 1 Y 1 D THR 150 ? B THR 150 344 1 Y 1 D GLU 151 ? B GLU 151 345 1 Y 1 D GLY 152 ? B GLY 152 346 1 Y 1 D GLY 153 ? B GLY 153 347 1 Y 1 D LYS 154 ? B LYS 154 348 1 Y 1 D ASN 155 ? B ASN 155 349 1 Y 1 D SER 156 ? B SER 156 350 1 Y 1 D LYS 157 ? B LYS 157 351 1 Y 1 D ASN 158 ? B ASN 158 352 1 Y 1 D SER 159 ? B SER 159 353 1 Y 1 D GLU 160 ? B GLU 160 354 1 Y 1 D SER 212 ? B SER 212 355 1 Y 1 D LEU 213 ? B LEU 213 356 1 Y 1 D VAL 214 ? B VAL 214 357 1 Y 1 D GLU 215 ? B GLU 215 358 1 Y 1 D SER 216 ? B SER 216 359 1 Y 1 D ALA 217 ? B ALA 217 360 1 Y 1 D LYS 218 ? B LYS 218 361 1 Y 1 D GLN 219 ? B GLN 219 362 1 Y 1 D ARG 220 ? B ARG 220 363 1 Y 1 D ARG 221 ? B ARG 221 364 1 Y 1 D ASP 222 ? B ASP 222 365 1 Y 1 D LYS 223 ? B LYS 223 366 1 Y 1 D GLN 224 ? B GLN 224 367 1 Y 1 D LYS 225 ? B LYS 225 368 1 Y 1 D ASN 226 ? B ASN 226 369 1 Y 1 A MET 1 ? C MET 1 370 1 Y 1 A SER 2 ? C SER 2 371 1 Y 1 A THR 3 ? C THR 3 372 1 Y 1 A LEU 4 ? C LEU 4 373 1 Y 1 A ALA 5 ? C ALA 5 374 1 Y 1 A GLU 6 ? C GLU 6 375 1 Y 1 A VAL 7 ? C VAL 7 376 1 Y 1 A TYR 8 ? C TYR 8 377 1 Y 1 A THR 9 ? C THR 9 378 1 Y 1 A ILE 10 ? C ILE 10 379 1 Y 1 A ILE 11 ? C ILE 11 380 1 Y 1 A GLU 12 ? C GLU 12 381 1 Y 1 A ASP 13 ? C ASP 13 382 1 Y 1 A ALA 14 ? C ALA 14 383 1 Y 1 A GLU 15 ? C GLU 15 384 1 Y 1 A GLN 16 ? C GLN 16 385 1 Y 1 A GLU 17 ? C GLU 17 386 1 Y 1 A CYS 18 ? C CYS 18 387 1 Y 1 A ARG 19 ? C ARG 19 388 1 Y 1 A LYS 20 ? C LYS 20 389 1 Y 1 A GLY 21 ? C GLY 21 390 1 Y 1 A ASP 22 ? C ASP 22 391 1 Y 1 A PHE 23 ? C PHE 23 392 1 Y 1 A THR 24 ? C THR 24 393 1 Y 1 A ASN 25 ? C ASN 25 394 1 Y 1 A ALA 26 ? C ALA 26 395 1 Y 1 A LYS 27 ? C LYS 27 396 1 Y 1 A ALA 28 ? C ALA 28 397 1 Y 1 A LYS 29 ? C LYS 29 398 1 Y 1 A TYR 30 ? C TYR 30 399 1 Y 1 A GLN 31 ? C GLN 31 400 1 Y 1 A GLU 32 ? C GLU 32 401 1 Y 1 A ALA 33 ? C ALA 33 402 1 Y 1 A ILE 34 ? C ILE 34 403 1 Y 1 A GLU 35 ? C GLU 35 404 1 Y 1 A VAL 36 ? C VAL 36 405 1 Y 1 A LEU 37 ? C LEU 37 406 1 Y 1 A GLY 38 ? C GLY 38 407 1 Y 1 A PRO 39 ? C PRO 39 408 1 Y 1 A GLN 40 ? C GLN 40 409 1 Y 1 A ASN 41 ? C ASN 41 410 1 Y 1 A GLU 42 ? C GLU 42 411 1 Y 1 A ASN 43 ? C ASN 43 412 1 Y 1 A LEU 44 ? C LEU 44 413 1 Y 1 A SER 45 ? C SER 45 414 1 Y 1 A GLN 46 ? C GLN 46 415 1 Y 1 A ASN 47 ? C ASN 47 416 1 Y 1 A LYS 48 ? C LYS 48 417 1 Y 1 A LEU 49 ? C LEU 49 418 1 Y 1 A SER 50 ? C SER 50 419 1 Y 1 A SER 51 ? C SER 51 420 1 Y 1 A ASP 52 ? C ASP 52 421 1 Y 1 A VAL 53 ? C VAL 53 422 1 Y 1 A THR 54 ? C THR 54 423 1 Y 1 A GLN 55 ? C GLN 55 424 1 Y 1 A ALA 56 ? C ALA 56 425 1 Y 1 A ILE 57 ? C ILE 57 426 1 Y 1 A ASP 58 ? C ASP 58 427 1 Y 1 A LEU 59 ? C LEU 59 428 1 Y 1 A LEU 60 ? C LEU 60 429 1 Y 1 A LYS 61 ? C LYS 61 430 1 Y 1 A GLN 62 ? C GLN 62 431 1 Y 1 A ASP 63 ? C ASP 63 432 1 Y 1 A ILE 64 ? C ILE 64 433 1 Y 1 A THR 65 ? C THR 65 434 1 Y 1 A ALA 66 ? C ALA 66 435 1 Y 1 A LYS 67 ? C LYS 67 436 1 Y 1 A ILE 68 ? C ILE 68 437 1 Y 1 A GLN 69 ? C GLN 69 438 1 Y 1 A GLU 70 ? C GLU 70 439 1 Y 1 A LEU 71 ? C LEU 71 440 1 Y 1 A GLU 72 ? C GLU 72 441 1 Y 1 A LEU 73 ? C LEU 73 442 1 Y 1 A LEU 74 ? C LEU 74 443 1 Y 1 A ILE 75 ? C ILE 75 444 1 Y 1 A GLU 76 ? C GLU 76 445 1 Y 1 A LYS 77 ? C LYS 77 446 1 Y 1 A GLN 78 ? C GLN 78 447 1 Y 1 A SER 79 ? C SER 79 448 1 Y 1 A SER 80 ? C SER 80 449 1 Y 1 A GLU 81 ? C GLU 81 450 1 Y 1 A GLU 82 ? C GLU 82 451 1 Y 1 A ASN 83 ? C ASN 83 452 1 Y 1 A ASN 84 ? C ASN 84 453 1 Y 1 A ILE 85 ? C ILE 85 454 1 Y 1 A GLY 86 ? C GLY 86 455 1 Y 1 A MET 87 ? C MET 87 456 1 Y 1 A VAL 88 ? C VAL 88 457 1 Y 1 A ASN 89 ? C ASN 89 458 1 Y 1 A ASN 90 ? C ASN 90 459 1 Y 1 A ASN 91 ? C ASN 91 460 1 Y 1 A MET 92 ? C MET 92 461 1 Y 1 A LEU 93 ? C LEU 93 462 1 Y 1 A ILE 94 ? C ILE 94 463 1 Y 1 A GLY 95 ? C GLY 95 464 1 Y 1 A SER 96 ? C SER 96 465 1 Y 1 A VAL 97 ? C VAL 97 466 1 Y 1 A ILE 98 ? C ILE 98 467 1 Y 1 A LEU 99 ? C LEU 99 468 1 Y 1 A ASN 100 ? C ASN 100 469 1 Y 1 A ASN 101 ? C ASN 101 470 1 Y 1 A LYS 102 ? C LYS 102 471 1 Y 1 A SER 103 ? C SER 103 472 1 Y 1 A PRO 104 ? C PRO 104 473 1 Y 1 A ILE 105 ? C ILE 105 474 1 Y 1 A ASN 106 ? C ASN 106 475 1 Y 1 A GLY 107 ? C GLY 107 476 1 Y 1 A ILE 108 ? C ILE 108 477 1 Y 1 A SER 109 ? C SER 109 478 1 Y 1 A ASN 110 ? C ASN 110 479 1 Y 1 A ALA 111 ? C ALA 111 480 1 Y 1 A ARG 112 ? C ARG 112 481 1 Y 1 A ASN 113 ? C ASN 113 482 1 Y 1 A TRP 114 ? C TRP 114 483 1 Y 1 A ASP 115 ? C ASP 115 484 1 Y 1 A ASN 116 ? C ASN 116 485 1 Y 1 A PRO 117 ? C PRO 117 486 1 Y 1 A ALA 118 ? C ALA 118 487 1 Y 1 A TYR 119 ? C TYR 119 488 1 Y 1 A GLN 120 ? C GLN 120 489 1 Y 1 A ASP 121 ? C ASP 121 490 1 Y 1 A THR 122 ? C THR 122 491 1 Y 1 A GLY 152 ? C GLY 152 492 1 Y 1 A GLY 153 ? C GLY 153 493 1 Y 1 A LYS 154 ? C LYS 154 494 1 Y 1 A ASN 155 ? C ASN 155 495 1 Y 1 A SER 156 ? C SER 156 496 1 Y 1 A LYS 157 ? C LYS 157 497 1 Y 1 A ASN 158 ? C ASN 158 498 1 Y 1 A SER 159 ? C SER 159 499 1 Y 1 A GLU 160 ? C GLU 160 500 1 Y 1 A MET 161 ? C MET 161 501 1 Y 1 A LYS 162 ? C LYS 162 502 1 Y 1 A ILE 163 ? C ILE 163 503 1 Y 1 A ASN 164 ? C ASN 164 504 1 Y 1 A LEU 165 ? C LEU 165 505 1 Y 1 A ARG 166 ? C ARG 166 506 1 Y 1 A LEU 167 ? C LEU 167 507 1 Y 1 A GLU 168 ? C GLU 168 508 1 Y 1 A GLN 169 ? C GLN 169 509 1 Y 1 A PHE 170 ? C PHE 170 510 1 Y 1 A LYS 171 ? C LYS 171 511 1 Y 1 A LYS 172 ? C LYS 172 512 1 Y 1 A GLU 173 ? C GLU 173 513 1 Y 1 A LEU 174 ? C LEU 174 514 1 Y 1 A VAL 175 ? C VAL 175 515 1 Y 1 A LEU 176 ? C LEU 176 516 1 Y 1 A TYR 177 ? C TYR 177 517 1 Y 1 A GLU 178 ? C GLU 178 518 1 Y 1 A GLN 179 ? C GLN 179 519 1 Y 1 A LYS 180 ? C LYS 180 520 1 Y 1 A LYS 181 ? C LYS 181 521 1 Y 1 A PHE 182 ? C PHE 182 522 1 Y 1 A LYS 183 ? C LYS 183 523 1 Y 1 A GLU 184 ? C GLU 184 524 1 Y 1 A TYR 185 ? C TYR 185 525 1 Y 1 A GLY 186 ? C GLY 186 526 1 Y 1 A MET 187 ? C MET 187 527 1 Y 1 A LYS 188 ? C LYS 188 528 1 Y 1 A ILE 189 ? C ILE 189 529 1 Y 1 A ASP 190 ? C ASP 190 530 1 Y 1 A GLU 191 ? C GLU 191 531 1 Y 1 A ILE 192 ? C ILE 192 532 1 Y 1 A THR 193 ? C THR 193 533 1 Y 1 A LYS 194 ? C LYS 194 534 1 Y 1 A GLU 195 ? C GLU 195 535 1 Y 1 A ASN 196 ? C ASN 196 536 1 Y 1 A LYS 197 ? C LYS 197 537 1 Y 1 A LYS 198 ? C LYS 198 538 1 Y 1 A LEU 199 ? C LEU 199 539 1 Y 1 A ALA 200 ? C ALA 200 540 1 Y 1 A ASN 201 ? C ASN 201 541 1 Y 1 A GLU 202 ? C GLU 202 542 1 Y 1 A ILE 203 ? C ILE 203 543 1 Y 1 A GLY 204 ? C GLY 204 544 1 Y 1 A ARG 205 ? C ARG 205 545 1 Y 1 A LEU 206 ? C LEU 206 546 1 Y 1 A ARG 207 ? C ARG 207 547 1 Y 1 A GLU 208 ? C GLU 208 548 1 Y 1 A ARG 209 ? C ARG 209 549 1 Y 1 A TRP 210 ? C TRP 210 550 1 Y 1 A ASP 211 ? C ASP 211 551 1 Y 1 A SER 212 ? C SER 212 552 1 Y 1 A LEU 213 ? C LEU 213 553 1 Y 1 A VAL 214 ? C VAL 214 554 1 Y 1 A GLU 215 ? C GLU 215 555 1 Y 1 A SER 216 ? C SER 216 556 1 Y 1 A ALA 217 ? C ALA 217 557 1 Y 1 A LYS 218 ? C LYS 218 558 1 Y 1 A GLN 219 ? C GLN 219 559 1 Y 1 A ARG 220 ? C ARG 220 560 1 Y 1 A ARG 221 ? C ARG 221 561 1 Y 1 A ASP 222 ? C ASP 222 562 1 Y 1 A LYS 223 ? C LYS 223 563 1 Y 1 A GLN 224 ? C GLN 224 564 1 Y 1 A LYS 225 ? C LYS 225 565 1 Y 1 A ASN 226 ? C ASN 226 566 1 Y 1 B MET 1 ? D MET 1 567 1 Y 1 B SER 2 ? D SER 2 568 1 Y 1 B THR 3 ? D THR 3 569 1 Y 1 B LEU 4 ? D LEU 4 570 1 Y 1 B ALA 5 ? D ALA 5 571 1 Y 1 B GLU 6 ? D GLU 6 572 1 Y 1 B VAL 7 ? D VAL 7 573 1 Y 1 B TYR 8 ? D TYR 8 574 1 Y 1 B THR 9 ? D THR 9 575 1 Y 1 B ILE 10 ? D ILE 10 576 1 Y 1 B ILE 11 ? D ILE 11 577 1 Y 1 B GLU 12 ? D GLU 12 578 1 Y 1 B ASP 13 ? D ASP 13 579 1 Y 1 B ALA 14 ? D ALA 14 580 1 Y 1 B GLU 15 ? D GLU 15 581 1 Y 1 B GLN 16 ? D GLN 16 582 1 Y 1 B GLU 17 ? D GLU 17 583 1 Y 1 B CYS 18 ? D CYS 18 584 1 Y 1 B ARG 19 ? D ARG 19 585 1 Y 1 B LYS 20 ? D LYS 20 586 1 Y 1 B GLY 21 ? D GLY 21 587 1 Y 1 B ASP 22 ? D ASP 22 588 1 Y 1 B PHE 23 ? D PHE 23 589 1 Y 1 B THR 24 ? D THR 24 590 1 Y 1 B ASN 25 ? D ASN 25 591 1 Y 1 B ALA 26 ? D ALA 26 592 1 Y 1 B LYS 27 ? D LYS 27 593 1 Y 1 B ALA 28 ? D ALA 28 594 1 Y 1 B LYS 29 ? D LYS 29 595 1 Y 1 B TYR 30 ? D TYR 30 596 1 Y 1 B GLN 31 ? D GLN 31 597 1 Y 1 B GLU 32 ? D GLU 32 598 1 Y 1 B ALA 33 ? D ALA 33 599 1 Y 1 B ILE 34 ? D ILE 34 600 1 Y 1 B GLU 35 ? D GLU 35 601 1 Y 1 B VAL 36 ? D VAL 36 602 1 Y 1 B LEU 37 ? D LEU 37 603 1 Y 1 B GLY 38 ? D GLY 38 604 1 Y 1 B PRO 39 ? D PRO 39 605 1 Y 1 B GLN 40 ? D GLN 40 606 1 Y 1 B ASN 41 ? D ASN 41 607 1 Y 1 B GLU 42 ? D GLU 42 608 1 Y 1 B ASN 43 ? D ASN 43 609 1 Y 1 B LEU 44 ? D LEU 44 610 1 Y 1 B SER 45 ? D SER 45 611 1 Y 1 B GLN 46 ? D GLN 46 612 1 Y 1 B ASN 47 ? D ASN 47 613 1 Y 1 B LYS 48 ? D LYS 48 614 1 Y 1 B LEU 49 ? D LEU 49 615 1 Y 1 B SER 50 ? D SER 50 616 1 Y 1 B SER 51 ? D SER 51 617 1 Y 1 B ASP 52 ? D ASP 52 618 1 Y 1 B VAL 53 ? D VAL 53 619 1 Y 1 B THR 54 ? D THR 54 620 1 Y 1 B GLN 55 ? D GLN 55 621 1 Y 1 B ALA 56 ? D ALA 56 622 1 Y 1 B ILE 57 ? D ILE 57 623 1 Y 1 B ASP 58 ? D ASP 58 624 1 Y 1 B LEU 59 ? D LEU 59 625 1 Y 1 B LEU 60 ? D LEU 60 626 1 Y 1 B LYS 61 ? D LYS 61 627 1 Y 1 B GLN 62 ? D GLN 62 628 1 Y 1 B ASP 63 ? D ASP 63 629 1 Y 1 B ILE 64 ? D ILE 64 630 1 Y 1 B THR 65 ? D THR 65 631 1 Y 1 B ALA 66 ? D ALA 66 632 1 Y 1 B LYS 67 ? D LYS 67 633 1 Y 1 B ILE 68 ? D ILE 68 634 1 Y 1 B GLN 69 ? D GLN 69 635 1 Y 1 B GLU 70 ? D GLU 70 636 1 Y 1 B LEU 71 ? D LEU 71 637 1 Y 1 B GLU 72 ? D GLU 72 638 1 Y 1 B LEU 73 ? D LEU 73 639 1 Y 1 B LEU 74 ? D LEU 74 640 1 Y 1 B ILE 75 ? D ILE 75 641 1 Y 1 B GLU 76 ? D GLU 76 642 1 Y 1 B LYS 77 ? D LYS 77 643 1 Y 1 B GLN 78 ? D GLN 78 644 1 Y 1 B SER 79 ? D SER 79 645 1 Y 1 B SER 80 ? D SER 80 646 1 Y 1 B GLU 81 ? D GLU 81 647 1 Y 1 B GLU 82 ? D GLU 82 648 1 Y 1 B ASN 83 ? D ASN 83 649 1 Y 1 B ASN 84 ? D ASN 84 650 1 Y 1 B ILE 85 ? D ILE 85 651 1 Y 1 B GLY 86 ? D GLY 86 652 1 Y 1 B MET 87 ? D MET 87 653 1 Y 1 B VAL 88 ? D VAL 88 654 1 Y 1 B ASN 89 ? D ASN 89 655 1 Y 1 B ASN 90 ? D ASN 90 656 1 Y 1 B ASN 91 ? D ASN 91 657 1 Y 1 B MET 92 ? D MET 92 658 1 Y 1 B LEU 93 ? D LEU 93 659 1 Y 1 B ILE 94 ? D ILE 94 660 1 Y 1 B GLY 95 ? D GLY 95 661 1 Y 1 B SER 96 ? D SER 96 662 1 Y 1 B VAL 97 ? D VAL 97 663 1 Y 1 B ILE 98 ? D ILE 98 664 1 Y 1 B LEU 99 ? D LEU 99 665 1 Y 1 B ASN 100 ? D ASN 100 666 1 Y 1 B ASN 101 ? D ASN 101 667 1 Y 1 B LYS 102 ? D LYS 102 668 1 Y 1 B SER 103 ? D SER 103 669 1 Y 1 B PRO 104 ? D PRO 104 670 1 Y 1 B ILE 105 ? D ILE 105 671 1 Y 1 B ASN 106 ? D ASN 106 672 1 Y 1 B GLY 107 ? D GLY 107 673 1 Y 1 B ILE 108 ? D ILE 108 674 1 Y 1 B SER 109 ? D SER 109 675 1 Y 1 B ASN 110 ? D ASN 110 676 1 Y 1 B ALA 111 ? D ALA 111 677 1 Y 1 B ARG 112 ? D ARG 112 678 1 Y 1 B ASN 113 ? D ASN 113 679 1 Y 1 B TRP 114 ? D TRP 114 680 1 Y 1 B ASP 115 ? D ASP 115 681 1 Y 1 B ASN 116 ? D ASN 116 682 1 Y 1 B PRO 117 ? D PRO 117 683 1 Y 1 B ALA 118 ? D ALA 118 684 1 Y 1 B TYR 119 ? D TYR 119 685 1 Y 1 B GLN 120 ? D GLN 120 686 1 Y 1 B ASP 121 ? D ASP 121 687 1 Y 1 B THR 122 ? D THR 122 688 1 Y 1 B LEU 123 ? D LEU 123 689 1 Y 1 B SER 124 ? D SER 124 690 1 Y 1 B PRO 125 ? D PRO 125 691 1 Y 1 B ILE 126 ? D ILE 126 692 1 Y 1 B ASN 127 ? D ASN 127 693 1 Y 1 B ASP 128 ? D ASP 128 694 1 Y 1 B PRO 129 ? D PRO 129 695 1 Y 1 B LEU 130 ? D LEU 130 696 1 Y 1 B LEU 131 ? D LEU 131 697 1 Y 1 B MET 132 ? D MET 132 698 1 Y 1 B SER 133 ? D SER 133 699 1 Y 1 B ILE 134 ? D ILE 134 700 1 Y 1 B LEU 135 ? D LEU 135 701 1 Y 1 B ASN 136 ? D ASN 136 702 1 Y 1 B ARG 137 ? D ARG 137 703 1 Y 1 B LEU 138 ? D LEU 138 704 1 Y 1 B GLN 139 ? D GLN 139 705 1 Y 1 B PHE 140 ? D PHE 140 706 1 Y 1 B ASN 141 ? D ASN 141 707 1 Y 1 B LEU 142 ? D LEU 142 708 1 Y 1 B ASN 143 ? D ASN 143 709 1 Y 1 B ASN 144 ? D ASN 144 710 1 Y 1 B ASP 145 ? D ASP 145 711 1 Y 1 B ILE 146 ? D ILE 146 712 1 Y 1 B GLN 147 ? D GLN 147 713 1 Y 1 B LEU 148 ? D LEU 148 714 1 Y 1 B LYS 149 ? D LYS 149 715 1 Y 1 B THR 150 ? D THR 150 716 1 Y 1 B GLU 151 ? D GLU 151 717 1 Y 1 B GLY 152 ? D GLY 152 718 1 Y 1 B GLY 153 ? D GLY 153 719 1 Y 1 B LYS 154 ? D LYS 154 720 1 Y 1 B SER 212 ? D SER 212 721 1 Y 1 B LEU 213 ? D LEU 213 722 1 Y 1 B VAL 214 ? D VAL 214 723 1 Y 1 B GLU 215 ? D GLU 215 724 1 Y 1 B SER 216 ? D SER 216 725 1 Y 1 B ALA 217 ? D ALA 217 726 1 Y 1 B LYS 218 ? D LYS 218 727 1 Y 1 B GLN 219 ? D GLN 219 728 1 Y 1 B ARG 220 ? D ARG 220 729 1 Y 1 B ARG 221 ? D ARG 221 730 1 Y 1 B ASP 222 ? D ASP 222 731 1 Y 1 B LYS 223 ? D LYS 223 732 1 Y 1 B GLN 224 ? D GLN 224 733 1 Y 1 B LYS 225 ? D LYS 225 734 1 Y 1 B ASN 226 ? D ASN 226 735 1 Y 1 G MET 1 ? E MET 1 736 1 Y 1 G SER 2 ? E SER 2 737 1 Y 1 G THR 3 ? E THR 3 738 1 Y 1 G LEU 4 ? E LEU 4 739 1 Y 1 G ALA 5 ? E ALA 5 740 1 Y 1 G GLU 6 ? E GLU 6 741 1 Y 1 G VAL 7 ? E VAL 7 742 1 Y 1 G TYR 8 ? E TYR 8 743 1 Y 1 G THR 9 ? E THR 9 744 1 Y 1 G ILE 10 ? E ILE 10 745 1 Y 1 G ILE 11 ? E ILE 11 746 1 Y 1 G GLU 12 ? E GLU 12 747 1 Y 1 G ASP 13 ? E ASP 13 748 1 Y 1 G ALA 14 ? E ALA 14 749 1 Y 1 G GLU 15 ? E GLU 15 750 1 Y 1 G GLN 16 ? E GLN 16 751 1 Y 1 G GLU 17 ? E GLU 17 752 1 Y 1 G CYS 18 ? E CYS 18 753 1 Y 1 G ARG 19 ? E ARG 19 754 1 Y 1 G LYS 20 ? E LYS 20 755 1 Y 1 G GLY 21 ? E GLY 21 756 1 Y 1 G ASP 22 ? E ASP 22 757 1 Y 1 G PHE 23 ? E PHE 23 758 1 Y 1 G THR 24 ? E THR 24 759 1 Y 1 G ASN 25 ? E ASN 25 760 1 Y 1 G ALA 26 ? E ALA 26 761 1 Y 1 G LYS 27 ? E LYS 27 762 1 Y 1 G ALA 28 ? E ALA 28 763 1 Y 1 G LYS 29 ? E LYS 29 764 1 Y 1 G TYR 30 ? E TYR 30 765 1 Y 1 G GLN 31 ? E GLN 31 766 1 Y 1 G GLU 32 ? E GLU 32 767 1 Y 1 G ALA 33 ? E ALA 33 768 1 Y 1 G ILE 34 ? E ILE 34 769 1 Y 1 G GLU 35 ? E GLU 35 770 1 Y 1 G VAL 36 ? E VAL 36 771 1 Y 1 G LEU 37 ? E LEU 37 772 1 Y 1 G GLY 38 ? E GLY 38 773 1 Y 1 G PRO 39 ? E PRO 39 774 1 Y 1 G GLN 40 ? E GLN 40 775 1 Y 1 G ASN 41 ? E ASN 41 776 1 Y 1 G GLU 42 ? E GLU 42 777 1 Y 1 G ASN 43 ? E ASN 43 778 1 Y 1 G LEU 44 ? E LEU 44 779 1 Y 1 G SER 45 ? E SER 45 780 1 Y 1 G GLN 46 ? E GLN 46 781 1 Y 1 G ASN 47 ? E ASN 47 782 1 Y 1 G LYS 48 ? E LYS 48 783 1 Y 1 G LEU 49 ? E LEU 49 784 1 Y 1 G SER 50 ? E SER 50 785 1 Y 1 G SER 51 ? E SER 51 786 1 Y 1 G ASP 52 ? E ASP 52 787 1 Y 1 G VAL 53 ? E VAL 53 788 1 Y 1 G THR 54 ? E THR 54 789 1 Y 1 G GLN 55 ? E GLN 55 790 1 Y 1 G ALA 56 ? E ALA 56 791 1 Y 1 G ILE 57 ? E ILE 57 792 1 Y 1 G ASP 58 ? E ASP 58 793 1 Y 1 G LEU 59 ? E LEU 59 794 1 Y 1 G LEU 60 ? E LEU 60 795 1 Y 1 G LYS 61 ? E LYS 61 796 1 Y 1 G GLN 62 ? E GLN 62 797 1 Y 1 G ASP 63 ? E ASP 63 798 1 Y 1 G ILE 64 ? E ILE 64 799 1 Y 1 G THR 65 ? E THR 65 800 1 Y 1 G ALA 66 ? E ALA 66 801 1 Y 1 G LYS 67 ? E LYS 67 802 1 Y 1 G ILE 68 ? E ILE 68 803 1 Y 1 G GLN 69 ? E GLN 69 804 1 Y 1 G GLU 70 ? E GLU 70 805 1 Y 1 G LEU 71 ? E LEU 71 806 1 Y 1 G GLU 72 ? E GLU 72 807 1 Y 1 G LEU 73 ? E LEU 73 808 1 Y 1 G LEU 74 ? E LEU 74 809 1 Y 1 G ILE 75 ? E ILE 75 810 1 Y 1 G GLU 76 ? E GLU 76 811 1 Y 1 G LYS 77 ? E LYS 77 812 1 Y 1 G GLN 78 ? E GLN 78 813 1 Y 1 G SER 79 ? E SER 79 814 1 Y 1 G SER 80 ? E SER 80 815 1 Y 1 G GLU 81 ? E GLU 81 816 1 Y 1 G GLU 82 ? E GLU 82 817 1 Y 1 G ASN 83 ? E ASN 83 818 1 Y 1 G ASN 84 ? E ASN 84 819 1 Y 1 G ILE 85 ? E ILE 85 820 1 Y 1 G GLY 86 ? E GLY 86 821 1 Y 1 G MET 87 ? E MET 87 822 1 Y 1 G VAL 88 ? E VAL 88 823 1 Y 1 G ASN 89 ? E ASN 89 824 1 Y 1 G ASN 90 ? E ASN 90 825 1 Y 1 G ASN 91 ? E ASN 91 826 1 Y 1 G MET 92 ? E MET 92 827 1 Y 1 G LEU 93 ? E LEU 93 828 1 Y 1 G ILE 94 ? E ILE 94 829 1 Y 1 G GLY 95 ? E GLY 95 830 1 Y 1 G SER 96 ? E SER 96 831 1 Y 1 G VAL 97 ? E VAL 97 832 1 Y 1 G ILE 98 ? E ILE 98 833 1 Y 1 G LEU 99 ? E LEU 99 834 1 Y 1 G ASN 100 ? E ASN 100 835 1 Y 1 G ASN 101 ? E ASN 101 836 1 Y 1 G LYS 102 ? E LYS 102 837 1 Y 1 G SER 103 ? E SER 103 838 1 Y 1 G PRO 104 ? E PRO 104 839 1 Y 1 G ILE 105 ? E ILE 105 840 1 Y 1 G ASN 106 ? E ASN 106 841 1 Y 1 G GLY 107 ? E GLY 107 842 1 Y 1 G ILE 108 ? E ILE 108 843 1 Y 1 G SER 109 ? E SER 109 844 1 Y 1 G ASN 110 ? E ASN 110 845 1 Y 1 G ALA 111 ? E ALA 111 846 1 Y 1 G ARG 112 ? E ARG 112 847 1 Y 1 G ASN 113 ? E ASN 113 848 1 Y 1 G TRP 114 ? E TRP 114 849 1 Y 1 G ASP 115 ? E ASP 115 850 1 Y 1 G ASN 116 ? E ASN 116 851 1 Y 1 G PRO 117 ? E PRO 117 852 1 Y 1 G ALA 118 ? E ALA 118 853 1 Y 1 G TYR 119 ? E TYR 119 854 1 Y 1 G GLY 153 ? E GLY 153 855 1 Y 1 G LYS 154 ? E LYS 154 856 1 Y 1 G ASN 155 ? E ASN 155 857 1 Y 1 G SER 156 ? E SER 156 858 1 Y 1 G LYS 157 ? E LYS 157 859 1 Y 1 G ASN 158 ? E ASN 158 860 1 Y 1 G SER 159 ? E SER 159 861 1 Y 1 G GLU 160 ? E GLU 160 862 1 Y 1 G MET 161 ? E MET 161 863 1 Y 1 G LYS 162 ? E LYS 162 864 1 Y 1 G ILE 163 ? E ILE 163 865 1 Y 1 G ASN 164 ? E ASN 164 866 1 Y 1 G LEU 165 ? E LEU 165 867 1 Y 1 G ARG 166 ? E ARG 166 868 1 Y 1 G LEU 167 ? E LEU 167 869 1 Y 1 G GLU 168 ? E GLU 168 870 1 Y 1 G GLN 169 ? E GLN 169 871 1 Y 1 G PHE 170 ? E PHE 170 872 1 Y 1 G LYS 171 ? E LYS 171 873 1 Y 1 G LYS 172 ? E LYS 172 874 1 Y 1 G GLU 173 ? E GLU 173 875 1 Y 1 G LEU 174 ? E LEU 174 876 1 Y 1 G VAL 175 ? E VAL 175 877 1 Y 1 G LEU 176 ? E LEU 176 878 1 Y 1 G TYR 177 ? E TYR 177 879 1 Y 1 G GLU 178 ? E GLU 178 880 1 Y 1 G GLN 179 ? E GLN 179 881 1 Y 1 G LYS 180 ? E LYS 180 882 1 Y 1 G LYS 181 ? E LYS 181 883 1 Y 1 G PHE 182 ? E PHE 182 884 1 Y 1 G LYS 183 ? E LYS 183 885 1 Y 1 G GLU 184 ? E GLU 184 886 1 Y 1 G TYR 185 ? E TYR 185 887 1 Y 1 G GLY 186 ? E GLY 186 888 1 Y 1 G MET 187 ? E MET 187 889 1 Y 1 G LYS 188 ? E LYS 188 890 1 Y 1 G ILE 189 ? E ILE 189 891 1 Y 1 G ASP 190 ? E ASP 190 892 1 Y 1 G GLU 191 ? E GLU 191 893 1 Y 1 G ILE 192 ? E ILE 192 894 1 Y 1 G THR 193 ? E THR 193 895 1 Y 1 G LYS 194 ? E LYS 194 896 1 Y 1 G GLU 195 ? E GLU 195 897 1 Y 1 G ASN 196 ? E ASN 196 898 1 Y 1 G LYS 197 ? E LYS 197 899 1 Y 1 G LYS 198 ? E LYS 198 900 1 Y 1 G LEU 199 ? E LEU 199 901 1 Y 1 G ALA 200 ? E ALA 200 902 1 Y 1 G ASN 201 ? E ASN 201 903 1 Y 1 G GLU 202 ? E GLU 202 904 1 Y 1 G ILE 203 ? E ILE 203 905 1 Y 1 G GLY 204 ? E GLY 204 906 1 Y 1 G ARG 205 ? E ARG 205 907 1 Y 1 G LEU 206 ? E LEU 206 908 1 Y 1 G ARG 207 ? E ARG 207 909 1 Y 1 G GLU 208 ? E GLU 208 910 1 Y 1 G ARG 209 ? E ARG 209 911 1 Y 1 G TRP 210 ? E TRP 210 912 1 Y 1 G ASP 211 ? E ASP 211 913 1 Y 1 G SER 212 ? E SER 212 914 1 Y 1 G LEU 213 ? E LEU 213 915 1 Y 1 G VAL 214 ? E VAL 214 916 1 Y 1 G GLU 215 ? E GLU 215 917 1 Y 1 G SER 216 ? E SER 216 918 1 Y 1 G ALA 217 ? E ALA 217 919 1 Y 1 G LYS 218 ? E LYS 218 920 1 Y 1 G GLN 219 ? E GLN 219 921 1 Y 1 G ARG 220 ? E ARG 220 922 1 Y 1 G ARG 221 ? E ARG 221 923 1 Y 1 G ASP 222 ? E ASP 222 924 1 Y 1 G LYS 223 ? E LYS 223 925 1 Y 1 G GLN 224 ? E GLN 224 926 1 Y 1 G LYS 225 ? E LYS 225 927 1 Y 1 G ASN 226 ? E ASN 226 928 1 Y 1 H MET 1 ? F MET 1 929 1 Y 1 H SER 2 ? F SER 2 930 1 Y 1 H THR 3 ? F THR 3 931 1 Y 1 H LEU 4 ? F LEU 4 932 1 Y 1 H ALA 5 ? F ALA 5 933 1 Y 1 H GLU 6 ? F GLU 6 934 1 Y 1 H VAL 7 ? F VAL 7 935 1 Y 1 H TYR 8 ? F TYR 8 936 1 Y 1 H THR 9 ? F THR 9 937 1 Y 1 H ILE 10 ? F ILE 10 938 1 Y 1 H ILE 11 ? F ILE 11 939 1 Y 1 H GLU 12 ? F GLU 12 940 1 Y 1 H ASP 13 ? F ASP 13 941 1 Y 1 H ALA 14 ? F ALA 14 942 1 Y 1 H GLU 15 ? F GLU 15 943 1 Y 1 H GLN 16 ? F GLN 16 944 1 Y 1 H GLU 17 ? F GLU 17 945 1 Y 1 H CYS 18 ? F CYS 18 946 1 Y 1 H ARG 19 ? F ARG 19 947 1 Y 1 H LYS 20 ? F LYS 20 948 1 Y 1 H GLY 21 ? F GLY 21 949 1 Y 1 H ASP 22 ? F ASP 22 950 1 Y 1 H PHE 23 ? F PHE 23 951 1 Y 1 H THR 24 ? F THR 24 952 1 Y 1 H ASN 25 ? F ASN 25 953 1 Y 1 H ALA 26 ? F ALA 26 954 1 Y 1 H LYS 27 ? F LYS 27 955 1 Y 1 H ALA 28 ? F ALA 28 956 1 Y 1 H LYS 29 ? F LYS 29 957 1 Y 1 H TYR 30 ? F TYR 30 958 1 Y 1 H GLN 31 ? F GLN 31 959 1 Y 1 H GLU 32 ? F GLU 32 960 1 Y 1 H ALA 33 ? F ALA 33 961 1 Y 1 H ILE 34 ? F ILE 34 962 1 Y 1 H GLU 35 ? F GLU 35 963 1 Y 1 H VAL 36 ? F VAL 36 964 1 Y 1 H LEU 37 ? F LEU 37 965 1 Y 1 H GLY 38 ? F GLY 38 966 1 Y 1 H PRO 39 ? F PRO 39 967 1 Y 1 H GLN 40 ? F GLN 40 968 1 Y 1 H ASN 41 ? F ASN 41 969 1 Y 1 H GLU 42 ? F GLU 42 970 1 Y 1 H ASN 43 ? F ASN 43 971 1 Y 1 H LEU 44 ? F LEU 44 972 1 Y 1 H SER 45 ? F SER 45 973 1 Y 1 H GLN 46 ? F GLN 46 974 1 Y 1 H ASN 47 ? F ASN 47 975 1 Y 1 H LYS 48 ? F LYS 48 976 1 Y 1 H LEU 49 ? F LEU 49 977 1 Y 1 H SER 50 ? F SER 50 978 1 Y 1 H SER 51 ? F SER 51 979 1 Y 1 H ASP 52 ? F ASP 52 980 1 Y 1 H VAL 53 ? F VAL 53 981 1 Y 1 H THR 54 ? F THR 54 982 1 Y 1 H GLN 55 ? F GLN 55 983 1 Y 1 H ALA 56 ? F ALA 56 984 1 Y 1 H ILE 57 ? F ILE 57 985 1 Y 1 H ASP 58 ? F ASP 58 986 1 Y 1 H LEU 59 ? F LEU 59 987 1 Y 1 H LEU 60 ? F LEU 60 988 1 Y 1 H LYS 61 ? F LYS 61 989 1 Y 1 H GLN 62 ? F GLN 62 990 1 Y 1 H ASP 63 ? F ASP 63 991 1 Y 1 H ILE 64 ? F ILE 64 992 1 Y 1 H THR 65 ? F THR 65 993 1 Y 1 H ALA 66 ? F ALA 66 994 1 Y 1 H LYS 67 ? F LYS 67 995 1 Y 1 H ILE 68 ? F ILE 68 996 1 Y 1 H GLN 69 ? F GLN 69 997 1 Y 1 H GLU 70 ? F GLU 70 998 1 Y 1 H LEU 71 ? F LEU 71 999 1 Y 1 H GLU 72 ? F GLU 72 1000 1 Y 1 H LEU 73 ? F LEU 73 1001 1 Y 1 H LEU 74 ? F LEU 74 1002 1 Y 1 H ILE 75 ? F ILE 75 1003 1 Y 1 H GLU 76 ? F GLU 76 1004 1 Y 1 H LYS 77 ? F LYS 77 1005 1 Y 1 H GLN 78 ? F GLN 78 1006 1 Y 1 H SER 79 ? F SER 79 1007 1 Y 1 H SER 80 ? F SER 80 1008 1 Y 1 H GLU 81 ? F GLU 81 1009 1 Y 1 H GLU 82 ? F GLU 82 1010 1 Y 1 H ASN 83 ? F ASN 83 1011 1 Y 1 H ASN 84 ? F ASN 84 1012 1 Y 1 H ILE 85 ? F ILE 85 1013 1 Y 1 H GLY 86 ? F GLY 86 1014 1 Y 1 H MET 87 ? F MET 87 1015 1 Y 1 H VAL 88 ? F VAL 88 1016 1 Y 1 H ASN 89 ? F ASN 89 1017 1 Y 1 H ASN 90 ? F ASN 90 1018 1 Y 1 H ASN 91 ? F ASN 91 1019 1 Y 1 H MET 92 ? F MET 92 1020 1 Y 1 H LEU 93 ? F LEU 93 1021 1 Y 1 H ILE 94 ? F ILE 94 1022 1 Y 1 H GLY 95 ? F GLY 95 1023 1 Y 1 H SER 96 ? F SER 96 1024 1 Y 1 H VAL 97 ? F VAL 97 1025 1 Y 1 H ILE 98 ? F ILE 98 1026 1 Y 1 H LEU 99 ? F LEU 99 1027 1 Y 1 H ASN 100 ? F ASN 100 1028 1 Y 1 H ASN 101 ? F ASN 101 1029 1 Y 1 H LYS 102 ? F LYS 102 1030 1 Y 1 H SER 103 ? F SER 103 1031 1 Y 1 H PRO 104 ? F PRO 104 1032 1 Y 1 H ILE 105 ? F ILE 105 1033 1 Y 1 H ASN 106 ? F ASN 106 1034 1 Y 1 H GLY 107 ? F GLY 107 1035 1 Y 1 H ILE 108 ? F ILE 108 1036 1 Y 1 H SER 109 ? F SER 109 1037 1 Y 1 H ASN 110 ? F ASN 110 1038 1 Y 1 H ALA 111 ? F ALA 111 1039 1 Y 1 H ARG 112 ? F ARG 112 1040 1 Y 1 H ASN 113 ? F ASN 113 1041 1 Y 1 H TRP 114 ? F TRP 114 1042 1 Y 1 H ASP 115 ? F ASP 115 1043 1 Y 1 H ASN 116 ? F ASN 116 1044 1 Y 1 H PRO 117 ? F PRO 117 1045 1 Y 1 H ALA 118 ? F ALA 118 1046 1 Y 1 H TYR 119 ? F TYR 119 1047 1 Y 1 H GLN 120 ? F GLN 120 1048 1 Y 1 H ASP 121 ? F ASP 121 1049 1 Y 1 H THR 122 ? F THR 122 1050 1 Y 1 H LEU 123 ? F LEU 123 1051 1 Y 1 H SER 124 ? F SER 124 1052 1 Y 1 H PRO 125 ? F PRO 125 1053 1 Y 1 H ILE 126 ? F ILE 126 1054 1 Y 1 H ASN 127 ? F ASN 127 1055 1 Y 1 H ASP 128 ? F ASP 128 1056 1 Y 1 H PRO 129 ? F PRO 129 1057 1 Y 1 H LEU 130 ? F LEU 130 1058 1 Y 1 H LEU 131 ? F LEU 131 1059 1 Y 1 H MET 132 ? F MET 132 1060 1 Y 1 H SER 133 ? F SER 133 1061 1 Y 1 H ILE 134 ? F ILE 134 1062 1 Y 1 H LEU 135 ? F LEU 135 1063 1 Y 1 H ASN 136 ? F ASN 136 1064 1 Y 1 H ARG 137 ? F ARG 137 1065 1 Y 1 H LEU 138 ? F LEU 138 1066 1 Y 1 H GLN 139 ? F GLN 139 1067 1 Y 1 H PHE 140 ? F PHE 140 1068 1 Y 1 H ASN 141 ? F ASN 141 1069 1 Y 1 H LEU 142 ? F LEU 142 1070 1 Y 1 H ASN 143 ? F ASN 143 1071 1 Y 1 H ASN 144 ? F ASN 144 1072 1 Y 1 H ASP 145 ? F ASP 145 1073 1 Y 1 H ILE 146 ? F ILE 146 1074 1 Y 1 H GLN 147 ? F GLN 147 1075 1 Y 1 H LEU 148 ? F LEU 148 1076 1 Y 1 H LYS 149 ? F LYS 149 1077 1 Y 1 H THR 150 ? F THR 150 1078 1 Y 1 H GLU 151 ? F GLU 151 1079 1 Y 1 H GLY 152 ? F GLY 152 1080 1 Y 1 H GLY 153 ? F GLY 153 1081 1 Y 1 H LYS 154 ? F LYS 154 1082 1 Y 1 H ASN 155 ? F ASN 155 1083 1 Y 1 H SER 156 ? F SER 156 1084 1 Y 1 H LYS 157 ? F LYS 157 1085 1 Y 1 H ASN 158 ? F ASN 158 1086 1 Y 1 H SER 159 ? F SER 159 1087 1 Y 1 H GLU 160 ? F GLU 160 1088 1 Y 1 H VAL 214 ? F VAL 214 1089 1 Y 1 H GLU 215 ? F GLU 215 1090 1 Y 1 H SER 216 ? F SER 216 1091 1 Y 1 H ALA 217 ? F ALA 217 1092 1 Y 1 H LYS 218 ? F LYS 218 1093 1 Y 1 H GLN 219 ? F GLN 219 1094 1 Y 1 H ARG 220 ? F ARG 220 1095 1 Y 1 H ARG 221 ? F ARG 221 1096 1 Y 1 H ASP 222 ? F ASP 222 1097 1 Y 1 H LYS 223 ? F LYS 223 1098 1 Y 1 H GLN 224 ? F GLN 224 1099 1 Y 1 H LYS 225 ? F LYS 225 1100 1 Y 1 H ASN 226 ? F ASN 226 1101 1 Y 1 K MET 1 ? G MET 1 1102 1 Y 1 K SER 2 ? G SER 2 1103 1 Y 1 K THR 3 ? G THR 3 1104 1 Y 1 K LEU 4 ? G LEU 4 1105 1 Y 1 K ALA 5 ? G ALA 5 1106 1 Y 1 K GLU 6 ? G GLU 6 1107 1 Y 1 K VAL 7 ? G VAL 7 1108 1 Y 1 K TYR 8 ? G TYR 8 1109 1 Y 1 K THR 9 ? G THR 9 1110 1 Y 1 K ILE 10 ? G ILE 10 1111 1 Y 1 K ILE 11 ? G ILE 11 1112 1 Y 1 K GLU 12 ? G GLU 12 1113 1 Y 1 K ASP 13 ? G ASP 13 1114 1 Y 1 K ALA 14 ? G ALA 14 1115 1 Y 1 K GLU 15 ? G GLU 15 1116 1 Y 1 K GLN 16 ? G GLN 16 1117 1 Y 1 K GLU 17 ? G GLU 17 1118 1 Y 1 K CYS 18 ? G CYS 18 1119 1 Y 1 K ARG 19 ? G ARG 19 1120 1 Y 1 K LYS 20 ? G LYS 20 1121 1 Y 1 K GLY 21 ? G GLY 21 1122 1 Y 1 K ASP 22 ? G ASP 22 1123 1 Y 1 K PHE 23 ? G PHE 23 1124 1 Y 1 K THR 24 ? G THR 24 1125 1 Y 1 K ASN 25 ? G ASN 25 1126 1 Y 1 K ALA 26 ? G ALA 26 1127 1 Y 1 K LYS 27 ? G LYS 27 1128 1 Y 1 K ALA 28 ? G ALA 28 1129 1 Y 1 K LYS 29 ? G LYS 29 1130 1 Y 1 K TYR 30 ? G TYR 30 1131 1 Y 1 K GLN 31 ? G GLN 31 1132 1 Y 1 K GLU 32 ? G GLU 32 1133 1 Y 1 K ALA 33 ? G ALA 33 1134 1 Y 1 K ILE 34 ? G ILE 34 1135 1 Y 1 K GLU 35 ? G GLU 35 1136 1 Y 1 K VAL 36 ? G VAL 36 1137 1 Y 1 K LEU 37 ? G LEU 37 1138 1 Y 1 K GLY 38 ? G GLY 38 1139 1 Y 1 K PRO 39 ? G PRO 39 1140 1 Y 1 K GLN 40 ? G GLN 40 1141 1 Y 1 K ASN 41 ? G ASN 41 1142 1 Y 1 K GLU 42 ? G GLU 42 1143 1 Y 1 K ASN 43 ? G ASN 43 1144 1 Y 1 K LEU 44 ? G LEU 44 1145 1 Y 1 K SER 45 ? G SER 45 1146 1 Y 1 K GLN 46 ? G GLN 46 1147 1 Y 1 K ASN 47 ? G ASN 47 1148 1 Y 1 K LYS 48 ? G LYS 48 1149 1 Y 1 K LEU 49 ? G LEU 49 1150 1 Y 1 K SER 50 ? G SER 50 1151 1 Y 1 K SER 51 ? G SER 51 1152 1 Y 1 K ASP 52 ? G ASP 52 1153 1 Y 1 K VAL 53 ? G VAL 53 1154 1 Y 1 K THR 54 ? G THR 54 1155 1 Y 1 K GLN 55 ? G GLN 55 1156 1 Y 1 K ALA 56 ? G ALA 56 1157 1 Y 1 K ILE 57 ? G ILE 57 1158 1 Y 1 K ASP 58 ? G ASP 58 1159 1 Y 1 K LEU 59 ? G LEU 59 1160 1 Y 1 K LEU 60 ? G LEU 60 1161 1 Y 1 K LYS 61 ? G LYS 61 1162 1 Y 1 K GLN 62 ? G GLN 62 1163 1 Y 1 K ASP 63 ? G ASP 63 1164 1 Y 1 K ILE 64 ? G ILE 64 1165 1 Y 1 K THR 65 ? G THR 65 1166 1 Y 1 K ALA 66 ? G ALA 66 1167 1 Y 1 K LYS 67 ? G LYS 67 1168 1 Y 1 K ILE 68 ? G ILE 68 1169 1 Y 1 K GLN 69 ? G GLN 69 1170 1 Y 1 K GLU 70 ? G GLU 70 1171 1 Y 1 K LEU 71 ? G LEU 71 1172 1 Y 1 K GLU 72 ? G GLU 72 1173 1 Y 1 K LEU 73 ? G LEU 73 1174 1 Y 1 K LEU 74 ? G LEU 74 1175 1 Y 1 K ILE 75 ? G ILE 75 1176 1 Y 1 K GLU 76 ? G GLU 76 1177 1 Y 1 K LYS 77 ? G LYS 77 1178 1 Y 1 K GLN 78 ? G GLN 78 1179 1 Y 1 K SER 79 ? G SER 79 1180 1 Y 1 K SER 80 ? G SER 80 1181 1 Y 1 K GLU 81 ? G GLU 81 1182 1 Y 1 K GLU 82 ? G GLU 82 1183 1 Y 1 K ASN 83 ? G ASN 83 1184 1 Y 1 K ASN 84 ? G ASN 84 1185 1 Y 1 K ILE 85 ? G ILE 85 1186 1 Y 1 K GLY 86 ? G GLY 86 1187 1 Y 1 K MET 87 ? G MET 87 1188 1 Y 1 K VAL 88 ? G VAL 88 1189 1 Y 1 K ASN 89 ? G ASN 89 1190 1 Y 1 K ASN 90 ? G ASN 90 1191 1 Y 1 K ASN 91 ? G ASN 91 1192 1 Y 1 K MET 92 ? G MET 92 1193 1 Y 1 K LEU 93 ? G LEU 93 1194 1 Y 1 K ILE 94 ? G ILE 94 1195 1 Y 1 K GLY 95 ? G GLY 95 1196 1 Y 1 K SER 96 ? G SER 96 1197 1 Y 1 K VAL 97 ? G VAL 97 1198 1 Y 1 K ILE 98 ? G ILE 98 1199 1 Y 1 K LEU 99 ? G LEU 99 1200 1 Y 1 K ASN 100 ? G ASN 100 1201 1 Y 1 K ASN 101 ? G ASN 101 1202 1 Y 1 K LYS 102 ? G LYS 102 1203 1 Y 1 K SER 103 ? G SER 103 1204 1 Y 1 K PRO 104 ? G PRO 104 1205 1 Y 1 K ILE 105 ? G ILE 105 1206 1 Y 1 K ASN 106 ? G ASN 106 1207 1 Y 1 K GLY 107 ? G GLY 107 1208 1 Y 1 K ILE 108 ? G ILE 108 1209 1 Y 1 K SER 109 ? G SER 109 1210 1 Y 1 K ASN 110 ? G ASN 110 1211 1 Y 1 K ALA 111 ? G ALA 111 1212 1 Y 1 K ARG 112 ? G ARG 112 1213 1 Y 1 K ASN 113 ? G ASN 113 1214 1 Y 1 K TRP 114 ? G TRP 114 1215 1 Y 1 K ASP 115 ? G ASP 115 1216 1 Y 1 K ASN 116 ? G ASN 116 1217 1 Y 1 K PRO 117 ? G PRO 117 1218 1 Y 1 K ALA 118 ? G ALA 118 1219 1 Y 1 K TYR 119 ? G TYR 119 1220 1 Y 1 K GLN 120 ? G GLN 120 1221 1 Y 1 K ASP 121 ? G ASP 121 1222 1 Y 1 K THR 122 ? G THR 122 1223 1 Y 1 K LEU 123 ? G LEU 123 1224 1 Y 1 K LEU 148 ? G LEU 148 1225 1 Y 1 K LYS 149 ? G LYS 149 1226 1 Y 1 K THR 150 ? G THR 150 1227 1 Y 1 K GLU 151 ? G GLU 151 1228 1 Y 1 K GLY 152 ? G GLY 152 1229 1 Y 1 K GLY 153 ? G GLY 153 1230 1 Y 1 K LYS 154 ? G LYS 154 1231 1 Y 1 K ASN 155 ? G ASN 155 1232 1 Y 1 K SER 156 ? G SER 156 1233 1 Y 1 K LYS 157 ? G LYS 157 1234 1 Y 1 K ASN 158 ? G ASN 158 1235 1 Y 1 K SER 159 ? G SER 159 1236 1 Y 1 K GLU 160 ? G GLU 160 1237 1 Y 1 K MET 161 ? G MET 161 1238 1 Y 1 K LYS 162 ? G LYS 162 1239 1 Y 1 K ILE 163 ? G ILE 163 1240 1 Y 1 K ASN 164 ? G ASN 164 1241 1 Y 1 K LEU 165 ? G LEU 165 1242 1 Y 1 K ARG 166 ? G ARG 166 1243 1 Y 1 K LEU 167 ? G LEU 167 1244 1 Y 1 K GLU 168 ? G GLU 168 1245 1 Y 1 K GLN 169 ? G GLN 169 1246 1 Y 1 K PHE 170 ? G PHE 170 1247 1 Y 1 K LYS 171 ? G LYS 171 1248 1 Y 1 K LYS 172 ? G LYS 172 1249 1 Y 1 K GLU 173 ? G GLU 173 1250 1 Y 1 K LEU 174 ? G LEU 174 1251 1 Y 1 K VAL 175 ? G VAL 175 1252 1 Y 1 K LEU 176 ? G LEU 176 1253 1 Y 1 K TYR 177 ? G TYR 177 1254 1 Y 1 K GLU 178 ? G GLU 178 1255 1 Y 1 K GLN 179 ? G GLN 179 1256 1 Y 1 K LYS 180 ? G LYS 180 1257 1 Y 1 K LYS 181 ? G LYS 181 1258 1 Y 1 K PHE 182 ? G PHE 182 1259 1 Y 1 K LYS 183 ? G LYS 183 1260 1 Y 1 K GLU 184 ? G GLU 184 1261 1 Y 1 K TYR 185 ? G TYR 185 1262 1 Y 1 K GLY 186 ? G GLY 186 1263 1 Y 1 K MET 187 ? G MET 187 1264 1 Y 1 K LYS 188 ? G LYS 188 1265 1 Y 1 K ILE 189 ? G ILE 189 1266 1 Y 1 K ASP 190 ? G ASP 190 1267 1 Y 1 K GLU 191 ? G GLU 191 1268 1 Y 1 K ILE 192 ? G ILE 192 1269 1 Y 1 K THR 193 ? G THR 193 1270 1 Y 1 K LYS 194 ? G LYS 194 1271 1 Y 1 K GLU 195 ? G GLU 195 1272 1 Y 1 K ASN 196 ? G ASN 196 1273 1 Y 1 K LYS 197 ? G LYS 197 1274 1 Y 1 K LYS 198 ? G LYS 198 1275 1 Y 1 K LEU 199 ? G LEU 199 1276 1 Y 1 K ALA 200 ? G ALA 200 1277 1 Y 1 K ASN 201 ? G ASN 201 1278 1 Y 1 K GLU 202 ? G GLU 202 1279 1 Y 1 K ILE 203 ? G ILE 203 1280 1 Y 1 K GLY 204 ? G GLY 204 1281 1 Y 1 K ARG 205 ? G ARG 205 1282 1 Y 1 K LEU 206 ? G LEU 206 1283 1 Y 1 K ARG 207 ? G ARG 207 1284 1 Y 1 K GLU 208 ? G GLU 208 1285 1 Y 1 K ARG 209 ? G ARG 209 1286 1 Y 1 K TRP 210 ? G TRP 210 1287 1 Y 1 K ASP 211 ? G ASP 211 1288 1 Y 1 K SER 212 ? G SER 212 1289 1 Y 1 K LEU 213 ? G LEU 213 1290 1 Y 1 K VAL 214 ? G VAL 214 1291 1 Y 1 K GLU 215 ? G GLU 215 1292 1 Y 1 K SER 216 ? G SER 216 1293 1 Y 1 K ALA 217 ? G ALA 217 1294 1 Y 1 K LYS 218 ? G LYS 218 1295 1 Y 1 K GLN 219 ? G GLN 219 1296 1 Y 1 K ARG 220 ? G ARG 220 1297 1 Y 1 K ARG 221 ? G ARG 221 1298 1 Y 1 K ASP 222 ? G ASP 222 1299 1 Y 1 K LYS 223 ? G LYS 223 1300 1 Y 1 K GLN 224 ? G GLN 224 1301 1 Y 1 K LYS 225 ? G LYS 225 1302 1 Y 1 K ASN 226 ? G ASN 226 1303 1 Y 1 L MET 1 ? H MET 1 1304 1 Y 1 L SER 2 ? H SER 2 1305 1 Y 1 L THR 3 ? H THR 3 1306 1 Y 1 L LEU 4 ? H LEU 4 1307 1 Y 1 L ALA 5 ? H ALA 5 1308 1 Y 1 L GLU 6 ? H GLU 6 1309 1 Y 1 L VAL 7 ? H VAL 7 1310 1 Y 1 L TYR 8 ? H TYR 8 1311 1 Y 1 L THR 9 ? H THR 9 1312 1 Y 1 L ILE 10 ? H ILE 10 1313 1 Y 1 L ILE 11 ? H ILE 11 1314 1 Y 1 L GLU 12 ? H GLU 12 1315 1 Y 1 L ASP 13 ? H ASP 13 1316 1 Y 1 L ALA 14 ? H ALA 14 1317 1 Y 1 L GLU 15 ? H GLU 15 1318 1 Y 1 L GLN 16 ? H GLN 16 1319 1 Y 1 L GLU 17 ? H GLU 17 1320 1 Y 1 L CYS 18 ? H CYS 18 1321 1 Y 1 L ARG 19 ? H ARG 19 1322 1 Y 1 L LYS 20 ? H LYS 20 1323 1 Y 1 L GLY 21 ? H GLY 21 1324 1 Y 1 L ASP 22 ? H ASP 22 1325 1 Y 1 L PHE 23 ? H PHE 23 1326 1 Y 1 L THR 24 ? H THR 24 1327 1 Y 1 L ASN 25 ? H ASN 25 1328 1 Y 1 L ALA 26 ? H ALA 26 1329 1 Y 1 L LYS 27 ? H LYS 27 1330 1 Y 1 L ALA 28 ? H ALA 28 1331 1 Y 1 L LYS 29 ? H LYS 29 1332 1 Y 1 L TYR 30 ? H TYR 30 1333 1 Y 1 L GLN 31 ? H GLN 31 1334 1 Y 1 L GLU 32 ? H GLU 32 1335 1 Y 1 L ALA 33 ? H ALA 33 1336 1 Y 1 L ILE 34 ? H ILE 34 1337 1 Y 1 L GLU 35 ? H GLU 35 1338 1 Y 1 L VAL 36 ? H VAL 36 1339 1 Y 1 L LEU 37 ? H LEU 37 1340 1 Y 1 L GLY 38 ? H GLY 38 1341 1 Y 1 L PRO 39 ? H PRO 39 1342 1 Y 1 L GLN 40 ? H GLN 40 1343 1 Y 1 L ASN 41 ? H ASN 41 1344 1 Y 1 L GLU 42 ? H GLU 42 1345 1 Y 1 L ASN 43 ? H ASN 43 1346 1 Y 1 L LEU 44 ? H LEU 44 1347 1 Y 1 L SER 45 ? H SER 45 1348 1 Y 1 L GLN 46 ? H GLN 46 1349 1 Y 1 L ASN 47 ? H ASN 47 1350 1 Y 1 L LYS 48 ? H LYS 48 1351 1 Y 1 L LEU 49 ? H LEU 49 1352 1 Y 1 L SER 50 ? H SER 50 1353 1 Y 1 L SER 51 ? H SER 51 1354 1 Y 1 L ASP 52 ? H ASP 52 1355 1 Y 1 L VAL 53 ? H VAL 53 1356 1 Y 1 L THR 54 ? H THR 54 1357 1 Y 1 L GLN 55 ? H GLN 55 1358 1 Y 1 L ALA 56 ? H ALA 56 1359 1 Y 1 L ILE 57 ? H ILE 57 1360 1 Y 1 L ASP 58 ? H ASP 58 1361 1 Y 1 L LEU 59 ? H LEU 59 1362 1 Y 1 L LEU 60 ? H LEU 60 1363 1 Y 1 L LYS 61 ? H LYS 61 1364 1 Y 1 L GLN 62 ? H GLN 62 1365 1 Y 1 L ASP 63 ? H ASP 63 1366 1 Y 1 L ILE 64 ? H ILE 64 1367 1 Y 1 L THR 65 ? H THR 65 1368 1 Y 1 L ALA 66 ? H ALA 66 1369 1 Y 1 L LYS 67 ? H LYS 67 1370 1 Y 1 L ILE 68 ? H ILE 68 1371 1 Y 1 L GLN 69 ? H GLN 69 1372 1 Y 1 L GLU 70 ? H GLU 70 1373 1 Y 1 L LEU 71 ? H LEU 71 1374 1 Y 1 L GLU 72 ? H GLU 72 1375 1 Y 1 L LEU 73 ? H LEU 73 1376 1 Y 1 L LEU 74 ? H LEU 74 1377 1 Y 1 L ILE 75 ? H ILE 75 1378 1 Y 1 L GLU 76 ? H GLU 76 1379 1 Y 1 L LYS 77 ? H LYS 77 1380 1 Y 1 L GLN 78 ? H GLN 78 1381 1 Y 1 L SER 79 ? H SER 79 1382 1 Y 1 L SER 80 ? H SER 80 1383 1 Y 1 L GLU 81 ? H GLU 81 1384 1 Y 1 L GLU 82 ? H GLU 82 1385 1 Y 1 L ASN 83 ? H ASN 83 1386 1 Y 1 L ASN 84 ? H ASN 84 1387 1 Y 1 L ILE 85 ? H ILE 85 1388 1 Y 1 L GLY 86 ? H GLY 86 1389 1 Y 1 L MET 87 ? H MET 87 1390 1 Y 1 L VAL 88 ? H VAL 88 1391 1 Y 1 L ASN 89 ? H ASN 89 1392 1 Y 1 L ASN 90 ? H ASN 90 1393 1 Y 1 L ASN 91 ? H ASN 91 1394 1 Y 1 L MET 92 ? H MET 92 1395 1 Y 1 L LEU 93 ? H LEU 93 1396 1 Y 1 L ILE 94 ? H ILE 94 1397 1 Y 1 L GLY 95 ? H GLY 95 1398 1 Y 1 L SER 96 ? H SER 96 1399 1 Y 1 L VAL 97 ? H VAL 97 1400 1 Y 1 L ILE 98 ? H ILE 98 1401 1 Y 1 L LEU 99 ? H LEU 99 1402 1 Y 1 L ASN 100 ? H ASN 100 1403 1 Y 1 L ASN 101 ? H ASN 101 1404 1 Y 1 L LYS 102 ? H LYS 102 1405 1 Y 1 L SER 103 ? H SER 103 1406 1 Y 1 L PRO 104 ? H PRO 104 1407 1 Y 1 L ILE 105 ? H ILE 105 1408 1 Y 1 L ASN 106 ? H ASN 106 1409 1 Y 1 L GLY 107 ? H GLY 107 1410 1 Y 1 L ILE 108 ? H ILE 108 1411 1 Y 1 L SER 109 ? H SER 109 1412 1 Y 1 L ASN 110 ? H ASN 110 1413 1 Y 1 L ALA 111 ? H ALA 111 1414 1 Y 1 L ARG 112 ? H ARG 112 1415 1 Y 1 L ASN 113 ? H ASN 113 1416 1 Y 1 L TRP 114 ? H TRP 114 1417 1 Y 1 L ASP 115 ? H ASP 115 1418 1 Y 1 L ASN 116 ? H ASN 116 1419 1 Y 1 L PRO 117 ? H PRO 117 1420 1 Y 1 L ALA 118 ? H ALA 118 1421 1 Y 1 L TYR 119 ? H TYR 119 1422 1 Y 1 L GLN 120 ? H GLN 120 1423 1 Y 1 L ASP 121 ? H ASP 121 1424 1 Y 1 L THR 122 ? H THR 122 1425 1 Y 1 L LEU 123 ? H LEU 123 1426 1 Y 1 L SER 124 ? H SER 124 1427 1 Y 1 L PRO 125 ? H PRO 125 1428 1 Y 1 L ILE 126 ? H ILE 126 1429 1 Y 1 L ASN 127 ? H ASN 127 1430 1 Y 1 L ASP 128 ? H ASP 128 1431 1 Y 1 L PRO 129 ? H PRO 129 1432 1 Y 1 L LEU 130 ? H LEU 130 1433 1 Y 1 L LEU 131 ? H LEU 131 1434 1 Y 1 L MET 132 ? H MET 132 1435 1 Y 1 L SER 133 ? H SER 133 1436 1 Y 1 L ILE 134 ? H ILE 134 1437 1 Y 1 L LEU 135 ? H LEU 135 1438 1 Y 1 L ASN 136 ? H ASN 136 1439 1 Y 1 L ARG 137 ? H ARG 137 1440 1 Y 1 L LEU 138 ? H LEU 138 1441 1 Y 1 L GLN 139 ? H GLN 139 1442 1 Y 1 L PHE 140 ? H PHE 140 1443 1 Y 1 L ASN 141 ? H ASN 141 1444 1 Y 1 L LEU 142 ? H LEU 142 1445 1 Y 1 L ASN 143 ? H ASN 143 1446 1 Y 1 L ASN 144 ? H ASN 144 1447 1 Y 1 L ASP 145 ? H ASP 145 1448 1 Y 1 L ILE 146 ? H ILE 146 1449 1 Y 1 L GLN 147 ? H GLN 147 1450 1 Y 1 L LEU 148 ? H LEU 148 1451 1 Y 1 L LYS 149 ? H LYS 149 1452 1 Y 1 L THR 150 ? H THR 150 1453 1 Y 1 L GLU 151 ? H GLU 151 1454 1 Y 1 L GLY 152 ? H GLY 152 1455 1 Y 1 L GLY 153 ? H GLY 153 1456 1 Y 1 L LYS 154 ? H LYS 154 1457 1 Y 1 L ASN 155 ? H ASN 155 1458 1 Y 1 L SER 156 ? H SER 156 1459 1 Y 1 L ALA 217 ? H ALA 217 1460 1 Y 1 L LYS 218 ? H LYS 218 1461 1 Y 1 L GLN 219 ? H GLN 219 1462 1 Y 1 L ARG 220 ? H ARG 220 1463 1 Y 1 L ARG 221 ? H ARG 221 1464 1 Y 1 L ASP 222 ? H ASP 222 1465 1 Y 1 L LYS 223 ? H LYS 223 1466 1 Y 1 L GLN 224 ? H GLN 224 1467 1 Y 1 L LYS 225 ? H LYS 225 1468 1 Y 1 L ASN 226 ? H ASN 226 1469 1 Y 1 E MET 1 ? I MET 1 1470 1 Y 1 E SER 2 ? I SER 2 1471 1 Y 1 E THR 3 ? I THR 3 1472 1 Y 1 E LEU 4 ? I LEU 4 1473 1 Y 1 E ALA 5 ? I ALA 5 1474 1 Y 1 E GLU 6 ? I GLU 6 1475 1 Y 1 E VAL 7 ? I VAL 7 1476 1 Y 1 E TYR 8 ? I TYR 8 1477 1 Y 1 E THR 9 ? I THR 9 1478 1 Y 1 E ILE 10 ? I ILE 10 1479 1 Y 1 E ILE 11 ? I ILE 11 1480 1 Y 1 E GLU 12 ? I GLU 12 1481 1 Y 1 E ASP 13 ? I ASP 13 1482 1 Y 1 E ALA 14 ? I ALA 14 1483 1 Y 1 E GLU 15 ? I GLU 15 1484 1 Y 1 E GLN 16 ? I GLN 16 1485 1 Y 1 E GLU 17 ? I GLU 17 1486 1 Y 1 E CYS 18 ? I CYS 18 1487 1 Y 1 E ARG 19 ? I ARG 19 1488 1 Y 1 E LYS 20 ? I LYS 20 1489 1 Y 1 E GLY 21 ? I GLY 21 1490 1 Y 1 E ASP 22 ? I ASP 22 1491 1 Y 1 E PHE 23 ? I PHE 23 1492 1 Y 1 E THR 24 ? I THR 24 1493 1 Y 1 E ASN 25 ? I ASN 25 1494 1 Y 1 E ALA 26 ? I ALA 26 1495 1 Y 1 E LYS 27 ? I LYS 27 1496 1 Y 1 E ALA 28 ? I ALA 28 1497 1 Y 1 E LYS 29 ? I LYS 29 1498 1 Y 1 E TYR 30 ? I TYR 30 1499 1 Y 1 E GLN 31 ? I GLN 31 1500 1 Y 1 E GLU 32 ? I GLU 32 1501 1 Y 1 E ALA 33 ? I ALA 33 1502 1 Y 1 E ILE 34 ? I ILE 34 1503 1 Y 1 E GLU 35 ? I GLU 35 1504 1 Y 1 E VAL 36 ? I VAL 36 1505 1 Y 1 E LEU 37 ? I LEU 37 1506 1 Y 1 E GLY 38 ? I GLY 38 1507 1 Y 1 E PRO 39 ? I PRO 39 1508 1 Y 1 E GLN 40 ? I GLN 40 1509 1 Y 1 E ASN 41 ? I ASN 41 1510 1 Y 1 E GLU 42 ? I GLU 42 1511 1 Y 1 E ASN 43 ? I ASN 43 1512 1 Y 1 E LEU 44 ? I LEU 44 1513 1 Y 1 E SER 45 ? I SER 45 1514 1 Y 1 E GLN 46 ? I GLN 46 1515 1 Y 1 E ASN 47 ? I ASN 47 1516 1 Y 1 E LYS 48 ? I LYS 48 1517 1 Y 1 E LEU 49 ? I LEU 49 1518 1 Y 1 E SER 50 ? I SER 50 1519 1 Y 1 E SER 51 ? I SER 51 1520 1 Y 1 E ASP 52 ? I ASP 52 1521 1 Y 1 E VAL 53 ? I VAL 53 1522 1 Y 1 E THR 54 ? I THR 54 1523 1 Y 1 E GLN 55 ? I GLN 55 1524 1 Y 1 E ALA 56 ? I ALA 56 1525 1 Y 1 E ILE 57 ? I ILE 57 1526 1 Y 1 E ASP 58 ? I ASP 58 1527 1 Y 1 E LEU 59 ? I LEU 59 1528 1 Y 1 E LEU 60 ? I LEU 60 1529 1 Y 1 E LYS 61 ? I LYS 61 1530 1 Y 1 E GLN 62 ? I GLN 62 1531 1 Y 1 E ASP 63 ? I ASP 63 1532 1 Y 1 E ILE 64 ? I ILE 64 1533 1 Y 1 E THR 65 ? I THR 65 1534 1 Y 1 E ALA 66 ? I ALA 66 1535 1 Y 1 E LYS 67 ? I LYS 67 1536 1 Y 1 E ILE 68 ? I ILE 68 1537 1 Y 1 E GLN 69 ? I GLN 69 1538 1 Y 1 E GLU 70 ? I GLU 70 1539 1 Y 1 E LEU 71 ? I LEU 71 1540 1 Y 1 E GLU 72 ? I GLU 72 1541 1 Y 1 E LEU 73 ? I LEU 73 1542 1 Y 1 E LEU 74 ? I LEU 74 1543 1 Y 1 E ILE 75 ? I ILE 75 1544 1 Y 1 E GLU 76 ? I GLU 76 1545 1 Y 1 E LYS 77 ? I LYS 77 1546 1 Y 1 E GLN 78 ? I GLN 78 1547 1 Y 1 E SER 79 ? I SER 79 1548 1 Y 1 E SER 80 ? I SER 80 1549 1 Y 1 E GLU 81 ? I GLU 81 1550 1 Y 1 E GLU 82 ? I GLU 82 1551 1 Y 1 E ASN 83 ? I ASN 83 1552 1 Y 1 E ASN 84 ? I ASN 84 1553 1 Y 1 E ILE 85 ? I ILE 85 1554 1 Y 1 E GLY 86 ? I GLY 86 1555 1 Y 1 E MET 87 ? I MET 87 1556 1 Y 1 E VAL 88 ? I VAL 88 1557 1 Y 1 E ASN 89 ? I ASN 89 1558 1 Y 1 E ASN 90 ? I ASN 90 1559 1 Y 1 E ASN 91 ? I ASN 91 1560 1 Y 1 E MET 92 ? I MET 92 1561 1 Y 1 E LEU 93 ? I LEU 93 1562 1 Y 1 E ILE 94 ? I ILE 94 1563 1 Y 1 E GLY 95 ? I GLY 95 1564 1 Y 1 E SER 96 ? I SER 96 1565 1 Y 1 E VAL 97 ? I VAL 97 1566 1 Y 1 E ILE 98 ? I ILE 98 1567 1 Y 1 E LEU 99 ? I LEU 99 1568 1 Y 1 E ASN 100 ? I ASN 100 1569 1 Y 1 E ASN 101 ? I ASN 101 1570 1 Y 1 E LYS 102 ? I LYS 102 1571 1 Y 1 E SER 103 ? I SER 103 1572 1 Y 1 E PRO 104 ? I PRO 104 1573 1 Y 1 E ILE 105 ? I ILE 105 1574 1 Y 1 E ASN 106 ? I ASN 106 1575 1 Y 1 E GLY 107 ? I GLY 107 1576 1 Y 1 E ILE 108 ? I ILE 108 1577 1 Y 1 E SER 109 ? I SER 109 1578 1 Y 1 E ASN 110 ? I ASN 110 1579 1 Y 1 E ALA 111 ? I ALA 111 1580 1 Y 1 E ARG 112 ? I ARG 112 1581 1 Y 1 E ASN 113 ? I ASN 113 1582 1 Y 1 E TRP 114 ? I TRP 114 1583 1 Y 1 E ASP 115 ? I ASP 115 1584 1 Y 1 E ASN 116 ? I ASN 116 1585 1 Y 1 E PRO 117 ? I PRO 117 1586 1 Y 1 E ALA 118 ? I ALA 118 1587 1 Y 1 E TYR 119 ? I TYR 119 1588 1 Y 1 E GLN 120 ? I GLN 120 1589 1 Y 1 E ASP 121 ? I ASP 121 1590 1 Y 1 E THR 122 ? I THR 122 1591 1 Y 1 E GLY 153 ? I GLY 153 1592 1 Y 1 E LYS 154 ? I LYS 154 1593 1 Y 1 E ASN 155 ? I ASN 155 1594 1 Y 1 E SER 156 ? I SER 156 1595 1 Y 1 E LYS 157 ? I LYS 157 1596 1 Y 1 E ASN 158 ? I ASN 158 1597 1 Y 1 E SER 159 ? I SER 159 1598 1 Y 1 E GLU 160 ? I GLU 160 1599 1 Y 1 E MET 161 ? I MET 161 1600 1 Y 1 E LYS 162 ? I LYS 162 1601 1 Y 1 E ILE 163 ? I ILE 163 1602 1 Y 1 E ASN 164 ? I ASN 164 1603 1 Y 1 E LEU 165 ? I LEU 165 1604 1 Y 1 E ARG 166 ? I ARG 166 1605 1 Y 1 E LEU 167 ? I LEU 167 1606 1 Y 1 E GLU 168 ? I GLU 168 1607 1 Y 1 E GLN 169 ? I GLN 169 1608 1 Y 1 E PHE 170 ? I PHE 170 1609 1 Y 1 E LYS 171 ? I LYS 171 1610 1 Y 1 E LYS 172 ? I LYS 172 1611 1 Y 1 E GLU 173 ? I GLU 173 1612 1 Y 1 E LEU 174 ? I LEU 174 1613 1 Y 1 E VAL 175 ? I VAL 175 1614 1 Y 1 E LEU 176 ? I LEU 176 1615 1 Y 1 E TYR 177 ? I TYR 177 1616 1 Y 1 E GLU 178 ? I GLU 178 1617 1 Y 1 E GLN 179 ? I GLN 179 1618 1 Y 1 E LYS 180 ? I LYS 180 1619 1 Y 1 E LYS 181 ? I LYS 181 1620 1 Y 1 E PHE 182 ? I PHE 182 1621 1 Y 1 E LYS 183 ? I LYS 183 1622 1 Y 1 E GLU 184 ? I GLU 184 1623 1 Y 1 E TYR 185 ? I TYR 185 1624 1 Y 1 E GLY 186 ? I GLY 186 1625 1 Y 1 E MET 187 ? I MET 187 1626 1 Y 1 E LYS 188 ? I LYS 188 1627 1 Y 1 E ILE 189 ? I ILE 189 1628 1 Y 1 E ASP 190 ? I ASP 190 1629 1 Y 1 E GLU 191 ? I GLU 191 1630 1 Y 1 E ILE 192 ? I ILE 192 1631 1 Y 1 E THR 193 ? I THR 193 1632 1 Y 1 E LYS 194 ? I LYS 194 1633 1 Y 1 E GLU 195 ? I GLU 195 1634 1 Y 1 E ASN 196 ? I ASN 196 1635 1 Y 1 E LYS 197 ? I LYS 197 1636 1 Y 1 E LYS 198 ? I LYS 198 1637 1 Y 1 E LEU 199 ? I LEU 199 1638 1 Y 1 E ALA 200 ? I ALA 200 1639 1 Y 1 E ASN 201 ? I ASN 201 1640 1 Y 1 E GLU 202 ? I GLU 202 1641 1 Y 1 E ILE 203 ? I ILE 203 1642 1 Y 1 E GLY 204 ? I GLY 204 1643 1 Y 1 E ARG 205 ? I ARG 205 1644 1 Y 1 E LEU 206 ? I LEU 206 1645 1 Y 1 E ARG 207 ? I ARG 207 1646 1 Y 1 E GLU 208 ? I GLU 208 1647 1 Y 1 E ARG 209 ? I ARG 209 1648 1 Y 1 E TRP 210 ? I TRP 210 1649 1 Y 1 E ASP 211 ? I ASP 211 1650 1 Y 1 E SER 212 ? I SER 212 1651 1 Y 1 E LEU 213 ? I LEU 213 1652 1 Y 1 E VAL 214 ? I VAL 214 1653 1 Y 1 E GLU 215 ? I GLU 215 1654 1 Y 1 E SER 216 ? I SER 216 1655 1 Y 1 E ALA 217 ? I ALA 217 1656 1 Y 1 E LYS 218 ? I LYS 218 1657 1 Y 1 E GLN 219 ? I GLN 219 1658 1 Y 1 E ARG 220 ? I ARG 220 1659 1 Y 1 E ARG 221 ? I ARG 221 1660 1 Y 1 E ASP 222 ? I ASP 222 1661 1 Y 1 E LYS 223 ? I LYS 223 1662 1 Y 1 E GLN 224 ? I GLN 224 1663 1 Y 1 E LYS 225 ? I LYS 225 1664 1 Y 1 E ASN 226 ? I ASN 226 1665 1 Y 1 F MET 1 ? J MET 1 1666 1 Y 1 F SER 2 ? J SER 2 1667 1 Y 1 F THR 3 ? J THR 3 1668 1 Y 1 F LEU 4 ? J LEU 4 1669 1 Y 1 F ALA 5 ? J ALA 5 1670 1 Y 1 F GLU 6 ? J GLU 6 1671 1 Y 1 F VAL 7 ? J VAL 7 1672 1 Y 1 F TYR 8 ? J TYR 8 1673 1 Y 1 F THR 9 ? J THR 9 1674 1 Y 1 F ILE 10 ? J ILE 10 1675 1 Y 1 F ILE 11 ? J ILE 11 1676 1 Y 1 F GLU 12 ? J GLU 12 1677 1 Y 1 F ASP 13 ? J ASP 13 1678 1 Y 1 F ALA 14 ? J ALA 14 1679 1 Y 1 F GLU 15 ? J GLU 15 1680 1 Y 1 F GLN 16 ? J GLN 16 1681 1 Y 1 F GLU 17 ? J GLU 17 1682 1 Y 1 F CYS 18 ? J CYS 18 1683 1 Y 1 F ARG 19 ? J ARG 19 1684 1 Y 1 F LYS 20 ? J LYS 20 1685 1 Y 1 F GLY 21 ? J GLY 21 1686 1 Y 1 F ASP 22 ? J ASP 22 1687 1 Y 1 F PHE 23 ? J PHE 23 1688 1 Y 1 F THR 24 ? J THR 24 1689 1 Y 1 F ASN 25 ? J ASN 25 1690 1 Y 1 F ALA 26 ? J ALA 26 1691 1 Y 1 F LYS 27 ? J LYS 27 1692 1 Y 1 F ALA 28 ? J ALA 28 1693 1 Y 1 F LYS 29 ? J LYS 29 1694 1 Y 1 F TYR 30 ? J TYR 30 1695 1 Y 1 F GLN 31 ? J GLN 31 1696 1 Y 1 F GLU 32 ? J GLU 32 1697 1 Y 1 F ALA 33 ? J ALA 33 1698 1 Y 1 F ILE 34 ? J ILE 34 1699 1 Y 1 F GLU 35 ? J GLU 35 1700 1 Y 1 F VAL 36 ? J VAL 36 1701 1 Y 1 F LEU 37 ? J LEU 37 1702 1 Y 1 F GLY 38 ? J GLY 38 1703 1 Y 1 F PRO 39 ? J PRO 39 1704 1 Y 1 F GLN 40 ? J GLN 40 1705 1 Y 1 F ASN 41 ? J ASN 41 1706 1 Y 1 F GLU 42 ? J GLU 42 1707 1 Y 1 F ASN 43 ? J ASN 43 1708 1 Y 1 F LEU 44 ? J LEU 44 1709 1 Y 1 F SER 45 ? J SER 45 1710 1 Y 1 F GLN 46 ? J GLN 46 1711 1 Y 1 F ASN 47 ? J ASN 47 1712 1 Y 1 F LYS 48 ? J LYS 48 1713 1 Y 1 F LEU 49 ? J LEU 49 1714 1 Y 1 F SER 50 ? J SER 50 1715 1 Y 1 F SER 51 ? J SER 51 1716 1 Y 1 F ASP 52 ? J ASP 52 1717 1 Y 1 F VAL 53 ? J VAL 53 1718 1 Y 1 F THR 54 ? J THR 54 1719 1 Y 1 F GLN 55 ? J GLN 55 1720 1 Y 1 F ALA 56 ? J ALA 56 1721 1 Y 1 F ILE 57 ? J ILE 57 1722 1 Y 1 F ASP 58 ? J ASP 58 1723 1 Y 1 F LEU 59 ? J LEU 59 1724 1 Y 1 F LEU 60 ? J LEU 60 1725 1 Y 1 F LYS 61 ? J LYS 61 1726 1 Y 1 F GLN 62 ? J GLN 62 1727 1 Y 1 F ASP 63 ? J ASP 63 1728 1 Y 1 F ILE 64 ? J ILE 64 1729 1 Y 1 F THR 65 ? J THR 65 1730 1 Y 1 F ALA 66 ? J ALA 66 1731 1 Y 1 F LYS 67 ? J LYS 67 1732 1 Y 1 F ILE 68 ? J ILE 68 1733 1 Y 1 F GLN 69 ? J GLN 69 1734 1 Y 1 F GLU 70 ? J GLU 70 1735 1 Y 1 F LEU 71 ? J LEU 71 1736 1 Y 1 F GLU 72 ? J GLU 72 1737 1 Y 1 F LEU 73 ? J LEU 73 1738 1 Y 1 F LEU 74 ? J LEU 74 1739 1 Y 1 F ILE 75 ? J ILE 75 1740 1 Y 1 F GLU 76 ? J GLU 76 1741 1 Y 1 F LYS 77 ? J LYS 77 1742 1 Y 1 F GLN 78 ? J GLN 78 1743 1 Y 1 F SER 79 ? J SER 79 1744 1 Y 1 F SER 80 ? J SER 80 1745 1 Y 1 F GLU 81 ? J GLU 81 1746 1 Y 1 F GLU 82 ? J GLU 82 1747 1 Y 1 F ASN 83 ? J ASN 83 1748 1 Y 1 F ASN 84 ? J ASN 84 1749 1 Y 1 F ILE 85 ? J ILE 85 1750 1 Y 1 F GLY 86 ? J GLY 86 1751 1 Y 1 F MET 87 ? J MET 87 1752 1 Y 1 F VAL 88 ? J VAL 88 1753 1 Y 1 F ASN 89 ? J ASN 89 1754 1 Y 1 F ASN 90 ? J ASN 90 1755 1 Y 1 F ASN 91 ? J ASN 91 1756 1 Y 1 F MET 92 ? J MET 92 1757 1 Y 1 F LEU 93 ? J LEU 93 1758 1 Y 1 F ILE 94 ? J ILE 94 1759 1 Y 1 F GLY 95 ? J GLY 95 1760 1 Y 1 F SER 96 ? J SER 96 1761 1 Y 1 F VAL 97 ? J VAL 97 1762 1 Y 1 F ILE 98 ? J ILE 98 1763 1 Y 1 F LEU 99 ? J LEU 99 1764 1 Y 1 F ASN 100 ? J ASN 100 1765 1 Y 1 F ASN 101 ? J ASN 101 1766 1 Y 1 F LYS 102 ? J LYS 102 1767 1 Y 1 F SER 103 ? J SER 103 1768 1 Y 1 F PRO 104 ? J PRO 104 1769 1 Y 1 F ILE 105 ? J ILE 105 1770 1 Y 1 F ASN 106 ? J ASN 106 1771 1 Y 1 F GLY 107 ? J GLY 107 1772 1 Y 1 F ILE 108 ? J ILE 108 1773 1 Y 1 F SER 109 ? J SER 109 1774 1 Y 1 F ASN 110 ? J ASN 110 1775 1 Y 1 F ALA 111 ? J ALA 111 1776 1 Y 1 F ARG 112 ? J ARG 112 1777 1 Y 1 F ASN 113 ? J ASN 113 1778 1 Y 1 F TRP 114 ? J TRP 114 1779 1 Y 1 F ASP 115 ? J ASP 115 1780 1 Y 1 F ASN 116 ? J ASN 116 1781 1 Y 1 F PRO 117 ? J PRO 117 1782 1 Y 1 F ALA 118 ? J ALA 118 1783 1 Y 1 F TYR 119 ? J TYR 119 1784 1 Y 1 F GLN 120 ? J GLN 120 1785 1 Y 1 F ASP 121 ? J ASP 121 1786 1 Y 1 F THR 122 ? J THR 122 1787 1 Y 1 F LEU 123 ? J LEU 123 1788 1 Y 1 F SER 124 ? J SER 124 1789 1 Y 1 F PRO 125 ? J PRO 125 1790 1 Y 1 F ILE 126 ? J ILE 126 1791 1 Y 1 F ASN 127 ? J ASN 127 1792 1 Y 1 F ASP 128 ? J ASP 128 1793 1 Y 1 F PRO 129 ? J PRO 129 1794 1 Y 1 F LEU 130 ? J LEU 130 1795 1 Y 1 F LEU 131 ? J LEU 131 1796 1 Y 1 F MET 132 ? J MET 132 1797 1 Y 1 F SER 133 ? J SER 133 1798 1 Y 1 F ILE 134 ? J ILE 134 1799 1 Y 1 F LEU 135 ? J LEU 135 1800 1 Y 1 F ASN 136 ? J ASN 136 1801 1 Y 1 F ARG 137 ? J ARG 137 1802 1 Y 1 F LEU 138 ? J LEU 138 1803 1 Y 1 F GLN 139 ? J GLN 139 1804 1 Y 1 F PHE 140 ? J PHE 140 1805 1 Y 1 F ASN 141 ? J ASN 141 1806 1 Y 1 F LEU 142 ? J LEU 142 1807 1 Y 1 F ASN 143 ? J ASN 143 1808 1 Y 1 F ASN 144 ? J ASN 144 1809 1 Y 1 F ASP 145 ? J ASP 145 1810 1 Y 1 F ILE 146 ? J ILE 146 1811 1 Y 1 F GLN 147 ? J GLN 147 1812 1 Y 1 F LEU 148 ? J LEU 148 1813 1 Y 1 F LYS 149 ? J LYS 149 1814 1 Y 1 F THR 150 ? J THR 150 1815 1 Y 1 F GLU 151 ? J GLU 151 1816 1 Y 1 F GLY 152 ? J GLY 152 1817 1 Y 1 F GLY 153 ? J GLY 153 1818 1 Y 1 F LYS 154 ? J LYS 154 1819 1 Y 1 F ASN 155 ? J ASN 155 1820 1 Y 1 F SER 156 ? J SER 156 1821 1 Y 1 F LYS 218 ? J LYS 218 1822 1 Y 1 F GLN 219 ? J GLN 219 1823 1 Y 1 F ARG 220 ? J ARG 220 1824 1 Y 1 F ARG 221 ? J ARG 221 1825 1 Y 1 F ASP 222 ? J ASP 222 1826 1 Y 1 F LYS 223 ? J LYS 223 1827 1 Y 1 F GLN 224 ? J GLN 224 1828 1 Y 1 F LYS 225 ? J LYS 225 1829 1 Y 1 F ASN 226 ? J ASN 226 1830 1 Y 1 I MET 1 ? K MET 1 1831 1 Y 1 I SER 2 ? K SER 2 1832 1 Y 1 I THR 3 ? K THR 3 1833 1 Y 1 I LEU 4 ? K LEU 4 1834 1 Y 1 I ALA 5 ? K ALA 5 1835 1 Y 1 I GLU 6 ? K GLU 6 1836 1 Y 1 I VAL 7 ? K VAL 7 1837 1 Y 1 I TYR 8 ? K TYR 8 1838 1 Y 1 I THR 9 ? K THR 9 1839 1 Y 1 I ILE 10 ? K ILE 10 1840 1 Y 1 I ILE 11 ? K ILE 11 1841 1 Y 1 I GLU 12 ? K GLU 12 1842 1 Y 1 I ASP 13 ? K ASP 13 1843 1 Y 1 I ALA 14 ? K ALA 14 1844 1 Y 1 I GLU 15 ? K GLU 15 1845 1 Y 1 I GLN 16 ? K GLN 16 1846 1 Y 1 I GLU 17 ? K GLU 17 1847 1 Y 1 I CYS 18 ? K CYS 18 1848 1 Y 1 I ARG 19 ? K ARG 19 1849 1 Y 1 I LYS 20 ? K LYS 20 1850 1 Y 1 I GLY 21 ? K GLY 21 1851 1 Y 1 I ASP 22 ? K ASP 22 1852 1 Y 1 I PHE 23 ? K PHE 23 1853 1 Y 1 I THR 24 ? K THR 24 1854 1 Y 1 I ASN 25 ? K ASN 25 1855 1 Y 1 I ALA 26 ? K ALA 26 1856 1 Y 1 I LYS 27 ? K LYS 27 1857 1 Y 1 I ALA 28 ? K ALA 28 1858 1 Y 1 I LYS 29 ? K LYS 29 1859 1 Y 1 I TYR 30 ? K TYR 30 1860 1 Y 1 I GLN 31 ? K GLN 31 1861 1 Y 1 I GLU 32 ? K GLU 32 1862 1 Y 1 I ALA 33 ? K ALA 33 1863 1 Y 1 I ILE 34 ? K ILE 34 1864 1 Y 1 I GLU 35 ? K GLU 35 1865 1 Y 1 I VAL 36 ? K VAL 36 1866 1 Y 1 I LEU 37 ? K LEU 37 1867 1 Y 1 I GLY 38 ? K GLY 38 1868 1 Y 1 I PRO 39 ? K PRO 39 1869 1 Y 1 I GLN 40 ? K GLN 40 1870 1 Y 1 I ASN 41 ? K ASN 41 1871 1 Y 1 I GLU 42 ? K GLU 42 1872 1 Y 1 I ASN 43 ? K ASN 43 1873 1 Y 1 I LEU 44 ? K LEU 44 1874 1 Y 1 I SER 45 ? K SER 45 1875 1 Y 1 I GLN 46 ? K GLN 46 1876 1 Y 1 I ASN 47 ? K ASN 47 1877 1 Y 1 I LYS 48 ? K LYS 48 1878 1 Y 1 I LEU 49 ? K LEU 49 1879 1 Y 1 I SER 50 ? K SER 50 1880 1 Y 1 I SER 51 ? K SER 51 1881 1 Y 1 I ASP 52 ? K ASP 52 1882 1 Y 1 I VAL 53 ? K VAL 53 1883 1 Y 1 I THR 54 ? K THR 54 1884 1 Y 1 I GLN 55 ? K GLN 55 1885 1 Y 1 I ALA 56 ? K ALA 56 1886 1 Y 1 I ILE 57 ? K ILE 57 1887 1 Y 1 I ASP 58 ? K ASP 58 1888 1 Y 1 I LEU 59 ? K LEU 59 1889 1 Y 1 I LEU 60 ? K LEU 60 1890 1 Y 1 I LYS 61 ? K LYS 61 1891 1 Y 1 I GLN 62 ? K GLN 62 1892 1 Y 1 I ASP 63 ? K ASP 63 1893 1 Y 1 I ILE 64 ? K ILE 64 1894 1 Y 1 I THR 65 ? K THR 65 1895 1 Y 1 I ALA 66 ? K ALA 66 1896 1 Y 1 I LYS 67 ? K LYS 67 1897 1 Y 1 I ILE 68 ? K ILE 68 1898 1 Y 1 I GLN 69 ? K GLN 69 1899 1 Y 1 I GLU 70 ? K GLU 70 1900 1 Y 1 I LEU 71 ? K LEU 71 1901 1 Y 1 I GLU 72 ? K GLU 72 1902 1 Y 1 I LEU 73 ? K LEU 73 1903 1 Y 1 I LEU 74 ? K LEU 74 1904 1 Y 1 I ILE 75 ? K ILE 75 1905 1 Y 1 I GLU 76 ? K GLU 76 1906 1 Y 1 I LYS 77 ? K LYS 77 1907 1 Y 1 I GLN 78 ? K GLN 78 1908 1 Y 1 I SER 79 ? K SER 79 1909 1 Y 1 I SER 80 ? K SER 80 1910 1 Y 1 I GLU 81 ? K GLU 81 1911 1 Y 1 I GLU 82 ? K GLU 82 1912 1 Y 1 I ASN 83 ? K ASN 83 1913 1 Y 1 I ASN 84 ? K ASN 84 1914 1 Y 1 I ILE 85 ? K ILE 85 1915 1 Y 1 I GLY 86 ? K GLY 86 1916 1 Y 1 I MET 87 ? K MET 87 1917 1 Y 1 I VAL 88 ? K VAL 88 1918 1 Y 1 I ASN 89 ? K ASN 89 1919 1 Y 1 I ASN 90 ? K ASN 90 1920 1 Y 1 I ASN 91 ? K ASN 91 1921 1 Y 1 I MET 92 ? K MET 92 1922 1 Y 1 I LEU 93 ? K LEU 93 1923 1 Y 1 I ILE 94 ? K ILE 94 1924 1 Y 1 I GLY 95 ? K GLY 95 1925 1 Y 1 I SER 96 ? K SER 96 1926 1 Y 1 I VAL 97 ? K VAL 97 1927 1 Y 1 I ILE 98 ? K ILE 98 1928 1 Y 1 I LEU 99 ? K LEU 99 1929 1 Y 1 I ASN 100 ? K ASN 100 1930 1 Y 1 I ASN 101 ? K ASN 101 1931 1 Y 1 I LYS 102 ? K LYS 102 1932 1 Y 1 I SER 103 ? K SER 103 1933 1 Y 1 I PRO 104 ? K PRO 104 1934 1 Y 1 I ILE 105 ? K ILE 105 1935 1 Y 1 I ASN 106 ? K ASN 106 1936 1 Y 1 I GLY 107 ? K GLY 107 1937 1 Y 1 I ILE 108 ? K ILE 108 1938 1 Y 1 I SER 109 ? K SER 109 1939 1 Y 1 I ASN 110 ? K ASN 110 1940 1 Y 1 I ALA 111 ? K ALA 111 1941 1 Y 1 I ARG 112 ? K ARG 112 1942 1 Y 1 I ASN 113 ? K ASN 113 1943 1 Y 1 I TRP 114 ? K TRP 114 1944 1 Y 1 I ASP 115 ? K ASP 115 1945 1 Y 1 I ASN 116 ? K ASN 116 1946 1 Y 1 I PRO 117 ? K PRO 117 1947 1 Y 1 I ALA 118 ? K ALA 118 1948 1 Y 1 I TYR 119 ? K TYR 119 1949 1 Y 1 I GLN 120 ? K GLN 120 1950 1 Y 1 I THR 150 ? K THR 150 1951 1 Y 1 I GLU 151 ? K GLU 151 1952 1 Y 1 I GLY 152 ? K GLY 152 1953 1 Y 1 I GLY 153 ? K GLY 153 1954 1 Y 1 I LYS 154 ? K LYS 154 1955 1 Y 1 I ASN 155 ? K ASN 155 1956 1 Y 1 I SER 156 ? K SER 156 1957 1 Y 1 I LYS 157 ? K LYS 157 1958 1 Y 1 I ASN 158 ? K ASN 158 1959 1 Y 1 I SER 159 ? K SER 159 1960 1 Y 1 I GLU 160 ? K GLU 160 1961 1 Y 1 I MET 161 ? K MET 161 1962 1 Y 1 I LYS 162 ? K LYS 162 1963 1 Y 1 I ILE 163 ? K ILE 163 1964 1 Y 1 I ASN 164 ? K ASN 164 1965 1 Y 1 I LEU 165 ? K LEU 165 1966 1 Y 1 I ARG 166 ? K ARG 166 1967 1 Y 1 I LEU 167 ? K LEU 167 1968 1 Y 1 I GLU 168 ? K GLU 168 1969 1 Y 1 I GLN 169 ? K GLN 169 1970 1 Y 1 I PHE 170 ? K PHE 170 1971 1 Y 1 I LYS 171 ? K LYS 171 1972 1 Y 1 I LYS 172 ? K LYS 172 1973 1 Y 1 I GLU 173 ? K GLU 173 1974 1 Y 1 I LEU 174 ? K LEU 174 1975 1 Y 1 I VAL 175 ? K VAL 175 1976 1 Y 1 I LEU 176 ? K LEU 176 1977 1 Y 1 I TYR 177 ? K TYR 177 1978 1 Y 1 I GLU 178 ? K GLU 178 1979 1 Y 1 I GLN 179 ? K GLN 179 1980 1 Y 1 I LYS 180 ? K LYS 180 1981 1 Y 1 I LYS 181 ? K LYS 181 1982 1 Y 1 I PHE 182 ? K PHE 182 1983 1 Y 1 I LYS 183 ? K LYS 183 1984 1 Y 1 I GLU 184 ? K GLU 184 1985 1 Y 1 I TYR 185 ? K TYR 185 1986 1 Y 1 I GLY 186 ? K GLY 186 1987 1 Y 1 I MET 187 ? K MET 187 1988 1 Y 1 I LYS 188 ? K LYS 188 1989 1 Y 1 I ILE 189 ? K ILE 189 1990 1 Y 1 I ASP 190 ? K ASP 190 1991 1 Y 1 I GLU 191 ? K GLU 191 1992 1 Y 1 I ILE 192 ? K ILE 192 1993 1 Y 1 I THR 193 ? K THR 193 1994 1 Y 1 I LYS 194 ? K LYS 194 1995 1 Y 1 I GLU 195 ? K GLU 195 1996 1 Y 1 I ASN 196 ? K ASN 196 1997 1 Y 1 I LYS 197 ? K LYS 197 1998 1 Y 1 I LYS 198 ? K LYS 198 1999 1 Y 1 I LEU 199 ? K LEU 199 2000 1 Y 1 I ALA 200 ? K ALA 200 2001 1 Y 1 I ASN 201 ? K ASN 201 2002 1 Y 1 I GLU 202 ? K GLU 202 2003 1 Y 1 I ILE 203 ? K ILE 203 2004 1 Y 1 I GLY 204 ? K GLY 204 2005 1 Y 1 I ARG 205 ? K ARG 205 2006 1 Y 1 I LEU 206 ? K LEU 206 2007 1 Y 1 I ARG 207 ? K ARG 207 2008 1 Y 1 I GLU 208 ? K GLU 208 2009 1 Y 1 I ARG 209 ? K ARG 209 2010 1 Y 1 I TRP 210 ? K TRP 210 2011 1 Y 1 I ASP 211 ? K ASP 211 2012 1 Y 1 I SER 212 ? K SER 212 2013 1 Y 1 I LEU 213 ? K LEU 213 2014 1 Y 1 I VAL 214 ? K VAL 214 2015 1 Y 1 I GLU 215 ? K GLU 215 2016 1 Y 1 I SER 216 ? K SER 216 2017 1 Y 1 I ALA 217 ? K ALA 217 2018 1 Y 1 I LYS 218 ? K LYS 218 2019 1 Y 1 I GLN 219 ? K GLN 219 2020 1 Y 1 I ARG 220 ? K ARG 220 2021 1 Y 1 I ARG 221 ? K ARG 221 2022 1 Y 1 I ASP 222 ? K ASP 222 2023 1 Y 1 I LYS 223 ? K LYS 223 2024 1 Y 1 I GLN 224 ? K GLN 224 2025 1 Y 1 I LYS 225 ? K LYS 225 2026 1 Y 1 I ASN 226 ? K ASN 226 2027 1 Y 1 J MET 1 ? L MET 1 2028 1 Y 1 J SER 2 ? L SER 2 2029 1 Y 1 J THR 3 ? L THR 3 2030 1 Y 1 J LEU 4 ? L LEU 4 2031 1 Y 1 J ALA 5 ? L ALA 5 2032 1 Y 1 J GLU 6 ? L GLU 6 2033 1 Y 1 J VAL 7 ? L VAL 7 2034 1 Y 1 J TYR 8 ? L TYR 8 2035 1 Y 1 J THR 9 ? L THR 9 2036 1 Y 1 J ILE 10 ? L ILE 10 2037 1 Y 1 J ILE 11 ? L ILE 11 2038 1 Y 1 J GLU 12 ? L GLU 12 2039 1 Y 1 J ASP 13 ? L ASP 13 2040 1 Y 1 J ALA 14 ? L ALA 14 2041 1 Y 1 J GLU 15 ? L GLU 15 2042 1 Y 1 J GLN 16 ? L GLN 16 2043 1 Y 1 J GLU 17 ? L GLU 17 2044 1 Y 1 J CYS 18 ? L CYS 18 2045 1 Y 1 J ARG 19 ? L ARG 19 2046 1 Y 1 J LYS 20 ? L LYS 20 2047 1 Y 1 J GLY 21 ? L GLY 21 2048 1 Y 1 J ASP 22 ? L ASP 22 2049 1 Y 1 J PHE 23 ? L PHE 23 2050 1 Y 1 J THR 24 ? L THR 24 2051 1 Y 1 J ASN 25 ? L ASN 25 2052 1 Y 1 J ALA 26 ? L ALA 26 2053 1 Y 1 J LYS 27 ? L LYS 27 2054 1 Y 1 J ALA 28 ? L ALA 28 2055 1 Y 1 J LYS 29 ? L LYS 29 2056 1 Y 1 J TYR 30 ? L TYR 30 2057 1 Y 1 J GLN 31 ? L GLN 31 2058 1 Y 1 J GLU 32 ? L GLU 32 2059 1 Y 1 J ALA 33 ? L ALA 33 2060 1 Y 1 J ILE 34 ? L ILE 34 2061 1 Y 1 J GLU 35 ? L GLU 35 2062 1 Y 1 J VAL 36 ? L VAL 36 2063 1 Y 1 J LEU 37 ? L LEU 37 2064 1 Y 1 J GLY 38 ? L GLY 38 2065 1 Y 1 J PRO 39 ? L PRO 39 2066 1 Y 1 J GLN 40 ? L GLN 40 2067 1 Y 1 J ASN 41 ? L ASN 41 2068 1 Y 1 J GLU 42 ? L GLU 42 2069 1 Y 1 J ASN 43 ? L ASN 43 2070 1 Y 1 J LEU 44 ? L LEU 44 2071 1 Y 1 J SER 45 ? L SER 45 2072 1 Y 1 J GLN 46 ? L GLN 46 2073 1 Y 1 J ASN 47 ? L ASN 47 2074 1 Y 1 J LYS 48 ? L LYS 48 2075 1 Y 1 J LEU 49 ? L LEU 49 2076 1 Y 1 J SER 50 ? L SER 50 2077 1 Y 1 J SER 51 ? L SER 51 2078 1 Y 1 J ASP 52 ? L ASP 52 2079 1 Y 1 J VAL 53 ? L VAL 53 2080 1 Y 1 J THR 54 ? L THR 54 2081 1 Y 1 J GLN 55 ? L GLN 55 2082 1 Y 1 J ALA 56 ? L ALA 56 2083 1 Y 1 J ILE 57 ? L ILE 57 2084 1 Y 1 J ASP 58 ? L ASP 58 2085 1 Y 1 J LEU 59 ? L LEU 59 2086 1 Y 1 J LEU 60 ? L LEU 60 2087 1 Y 1 J LYS 61 ? L LYS 61 2088 1 Y 1 J GLN 62 ? L GLN 62 2089 1 Y 1 J ASP 63 ? L ASP 63 2090 1 Y 1 J ILE 64 ? L ILE 64 2091 1 Y 1 J THR 65 ? L THR 65 2092 1 Y 1 J ALA 66 ? L ALA 66 2093 1 Y 1 J LYS 67 ? L LYS 67 2094 1 Y 1 J ILE 68 ? L ILE 68 2095 1 Y 1 J GLN 69 ? L GLN 69 2096 1 Y 1 J GLU 70 ? L GLU 70 2097 1 Y 1 J LEU 71 ? L LEU 71 2098 1 Y 1 J GLU 72 ? L GLU 72 2099 1 Y 1 J LEU 73 ? L LEU 73 2100 1 Y 1 J LEU 74 ? L LEU 74 2101 1 Y 1 J ILE 75 ? L ILE 75 2102 1 Y 1 J GLU 76 ? L GLU 76 2103 1 Y 1 J LYS 77 ? L LYS 77 2104 1 Y 1 J GLN 78 ? L GLN 78 2105 1 Y 1 J SER 79 ? L SER 79 2106 1 Y 1 J SER 80 ? L SER 80 2107 1 Y 1 J GLU 81 ? L GLU 81 2108 1 Y 1 J GLU 82 ? L GLU 82 2109 1 Y 1 J ASN 83 ? L ASN 83 2110 1 Y 1 J ASN 84 ? L ASN 84 2111 1 Y 1 J ILE 85 ? L ILE 85 2112 1 Y 1 J GLY 86 ? L GLY 86 2113 1 Y 1 J MET 87 ? L MET 87 2114 1 Y 1 J VAL 88 ? L VAL 88 2115 1 Y 1 J ASN 89 ? L ASN 89 2116 1 Y 1 J ASN 90 ? L ASN 90 2117 1 Y 1 J ASN 91 ? L ASN 91 2118 1 Y 1 J MET 92 ? L MET 92 2119 1 Y 1 J LEU 93 ? L LEU 93 2120 1 Y 1 J ILE 94 ? L ILE 94 2121 1 Y 1 J GLY 95 ? L GLY 95 2122 1 Y 1 J SER 96 ? L SER 96 2123 1 Y 1 J VAL 97 ? L VAL 97 2124 1 Y 1 J ILE 98 ? L ILE 98 2125 1 Y 1 J LEU 99 ? L LEU 99 2126 1 Y 1 J ASN 100 ? L ASN 100 2127 1 Y 1 J ASN 101 ? L ASN 101 2128 1 Y 1 J LYS 102 ? L LYS 102 2129 1 Y 1 J SER 103 ? L SER 103 2130 1 Y 1 J PRO 104 ? L PRO 104 2131 1 Y 1 J ILE 105 ? L ILE 105 2132 1 Y 1 J ASN 106 ? L ASN 106 2133 1 Y 1 J GLY 107 ? L GLY 107 2134 1 Y 1 J ILE 108 ? L ILE 108 2135 1 Y 1 J SER 109 ? L SER 109 2136 1 Y 1 J ASN 110 ? L ASN 110 2137 1 Y 1 J ALA 111 ? L ALA 111 2138 1 Y 1 J ARG 112 ? L ARG 112 2139 1 Y 1 J ASN 113 ? L ASN 113 2140 1 Y 1 J TRP 114 ? L TRP 114 2141 1 Y 1 J ASP 115 ? L ASP 115 2142 1 Y 1 J ASN 116 ? L ASN 116 2143 1 Y 1 J PRO 117 ? L PRO 117 2144 1 Y 1 J ALA 118 ? L ALA 118 2145 1 Y 1 J TYR 119 ? L TYR 119 2146 1 Y 1 J GLN 120 ? L GLN 120 2147 1 Y 1 J ASP 121 ? L ASP 121 2148 1 Y 1 J THR 122 ? L THR 122 2149 1 Y 1 J LEU 123 ? L LEU 123 2150 1 Y 1 J SER 124 ? L SER 124 2151 1 Y 1 J PRO 125 ? L PRO 125 2152 1 Y 1 J ILE 126 ? L ILE 126 2153 1 Y 1 J ASN 127 ? L ASN 127 2154 1 Y 1 J ASP 128 ? L ASP 128 2155 1 Y 1 J PRO 129 ? L PRO 129 2156 1 Y 1 J LEU 130 ? L LEU 130 2157 1 Y 1 J LEU 131 ? L LEU 131 2158 1 Y 1 J MET 132 ? L MET 132 2159 1 Y 1 J SER 133 ? L SER 133 2160 1 Y 1 J ILE 134 ? L ILE 134 2161 1 Y 1 J LEU 135 ? L LEU 135 2162 1 Y 1 J ASN 136 ? L ASN 136 2163 1 Y 1 J ARG 137 ? L ARG 137 2164 1 Y 1 J LEU 138 ? L LEU 138 2165 1 Y 1 J GLN 139 ? L GLN 139 2166 1 Y 1 J PHE 140 ? L PHE 140 2167 1 Y 1 J ASN 141 ? L ASN 141 2168 1 Y 1 J LEU 142 ? L LEU 142 2169 1 Y 1 J ASN 143 ? L ASN 143 2170 1 Y 1 J ASN 144 ? L ASN 144 2171 1 Y 1 J ASP 145 ? L ASP 145 2172 1 Y 1 J ILE 146 ? L ILE 146 2173 1 Y 1 J GLN 147 ? L GLN 147 2174 1 Y 1 J LEU 148 ? L LEU 148 2175 1 Y 1 J LYS 149 ? L LYS 149 2176 1 Y 1 J THR 150 ? L THR 150 2177 1 Y 1 J GLU 151 ? L GLU 151 2178 1 Y 1 J GLY 152 ? L GLY 152 2179 1 Y 1 J GLY 153 ? L GLY 153 2180 1 Y 1 J LYS 154 ? L LYS 154 2181 1 Y 1 J ASN 155 ? L ASN 155 2182 1 Y 1 J SER 156 ? L SER 156 2183 1 Y 1 J GLU 215 ? L GLU 215 2184 1 Y 1 J SER 216 ? L SER 216 2185 1 Y 1 J ALA 217 ? L ALA 217 2186 1 Y 1 J LYS 218 ? L LYS 218 2187 1 Y 1 J GLN 219 ? L GLN 219 2188 1 Y 1 J ARG 220 ? L ARG 220 2189 1 Y 1 J ARG 221 ? L ARG 221 2190 1 Y 1 J ASP 222 ? L ASP 222 2191 1 Y 1 J LYS 223 ? L LYS 223 2192 1 Y 1 J GLN 224 ? L GLN 224 2193 1 Y 1 J LYS 225 ? L LYS 225 2194 1 Y 1 J ASN 226 ? L ASN 226 # _pdbx_audit_support.funding_organization 'Medical Research Council (United Kingdom)' _pdbx_audit_support.country 'United Kingdom' _pdbx_audit_support.grant_number MC_U105184308 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'SODIUM ION' NA 3 'NITRATE ION' NO3 4 1,2-ETHANEDIOL EDO 5 'CHLORIDE ION' CL 6 'AMMONIUM ION' NH4 7 'SULFATE ION' SO4 8 'IODIDE ION' IOD 9 water HOH # ================================================ FILE: vendor/openfold/tests/test_data/short.fasta ================================================ >query MAAHKGAEHHHKAAEHHEQAAKHHHAAAEHHEKGEHEQAAHHADTAYAHHKHAEEHAAQAAKHDAEHHAPKPH ================================================ FILE: vendor/openfold/tests/test_data_pipeline.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import pickle import shutil import torch import numpy as np import unittest from openfold.data.data_pipeline import DataPipeline from openfold.data.templates import TemplateHitFeaturizer from openfold.model.embedders import ( InputEmbedder, RecyclingEmbedder, TemplateAngleEmbedder, TemplatePairEmbedder, ) import tests.compare_utils as compare_utils if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestDataPipeline(unittest.TestCase): @compare_utils.skip_unless_alphafold_installed() def test_fasta_compare(self): # AlphaFold runs the alignments and feature processing at the same # time, taking forever. As such, we precompute AlphaFold's features # using scripts/generate_alphafold_feature_dict.py and the default # databases. with open("tests/test_data/alphafold_feature_dict.pickle", "rb") as fp: alphafold_feature_dict = pickle.load(fp) template_featurizer = TemplateHitFeaturizer( mmcif_dir="tests/test_data/mmcifs", max_template_date="2021-12-20", max_hits=20, kalign_binary_path=shutil.which("kalign"), _zero_center_positions=False, ) data_pipeline = DataPipeline( template_featurizer=template_featurizer, ) openfold_feature_dict = data_pipeline.process_fasta( "tests/test_data/short.fasta", "tests/test_data/alignments" ) openfold_feature_dict["template_all_atom_masks"] = openfold_feature_dict["template_all_atom_mask"] checked = [] # AlphaFold and OpenFold process their MSAs in slightly different # orders, which we compensate for below. m_a = alphafold_feature_dict["msa"] m_o = openfold_feature_dict["msa"] # The first row of both MSAs should be the same, no matter what self.assertTrue(np.all(m_a[0, :] == m_o[0, :])) # Each row of each MSA should appear exactly once somewhere in its # counterpart matching_rows = np.all((m_a[:, None, ...] == m_o[None, :, ...]), axis=-1) self.assertTrue( np.all( np.sum(matching_rows, axis=-1) == 1 ) ) checked.append("msa") # The corresponding rows of the deletion matrix should also be equal matching_idx = np.argmax(matching_rows, axis=-1) rearranged_o_dmi = openfold_feature_dict["deletion_matrix_int"] rearranged_o_dmi = rearranged_o_dmi[matching_idx, :] self.assertTrue( np.all( alphafold_feature_dict["deletion_matrix_int"] == rearranged_o_dmi ) ) checked.append("deletion_matrix_int") # Remaining features have to be precisely equal for k, v in alphafold_feature_dict.items(): self.assertTrue( k in checked or np.all(v == openfold_feature_dict[k]) ) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_data_transforms.py ================================================ import copy import gzip import os import pickle import numpy as np import torch import unittest from openfold.data.data_transforms import make_seq_mask, add_distillation_flag, make_all_atom_aatype, fix_templates_aatype, \ correct_msa_restypes, squeeze_features, randomly_replace_msa_with_unknown, MSA_FEATURE_NAMES, sample_msa, \ crop_extra_msa, delete_extra_msa, nearest_neighbor_clusters, make_msa_mask, make_hhblits_profile, make_masked_msa, \ make_msa_feat, crop_templates, make_atom14_masks from tests.config import config class TestDataTransforms(unittest.TestCase): def test_make_seq_mask(self): seq = torch.tensor([range(20)], dtype=torch.int64).transpose(0,1) seq_one_hot = torch.FloatTensor(seq.shape[0], 20).zero_() seq_one_hot.scatter_(1, seq, 1) protein_aatype = seq_one_hot.clone().detach() protein = {'aatype': protein_aatype} protein = make_seq_mask(protein) assert 'seq_mask' in protein assert protein['seq_mask'].shape == torch.Size((seq.shape[0], 20)) def test_add_distillation_flag(self): protein = {} protein = add_distillation_flag.__wrapped__(protein, True) assert 'is_distillation' in protein assert protein['is_distillation'] is True def test_make_all_atom_aatype(self): seq = torch.tensor([range(20)], dtype=torch.int64).transpose(0, 1) seq_one_hot = torch.FloatTensor(seq.shape[0], 20).zero_() seq_one_hot.scatter_(1, seq, 1) protein_aatype = seq_one_hot.clone().detach() protein = {'aatype': protein_aatype} protein = make_all_atom_aatype(protein) assert 'all_atom_aatype' in protein assert protein['all_atom_aatype'].shape == protein['aatype'].shape def test_fix_templates_aatype(self): template_seq = torch.tensor(list(range(20))*2, dtype=torch.int64) template_seq = template_seq.unsqueeze(0).transpose(0, 1) template_seq_one_hot = torch.FloatTensor(template_seq.shape[0], 20).zero_() template_seq_one_hot.scatter_(1, template_seq, 1) template_aatype = template_seq_one_hot.clone().detach().unsqueeze(0) protein = {'template_aatype': template_aatype, 'aatype': template_aatype} protein = fix_templates_aatype(protein) template_seq_ours = torch.tensor([[0, 4, 3, 6, 13, 7, 8, 9, 11, 10, 12, 2, 14, 5, 1, 15, 16, 19, 17, 18]*2]) assert torch.all(torch.eq(protein['template_aatype'], template_seq_ours)) def test_correct_msa_restypes(self): with open("tests/test_data/features.pkl", 'rb') as file: features = pickle.load(file) protein = {'msa': torch.tensor(features['msa'], dtype=torch.int64)} protein = correct_msa_restypes(protein) assert torch.all(torch.eq(torch.tensor(features['msa'].shape), torch.tensor(protein['msa'].shape))) def test_squeeze_features(self): with open("tests/test_data/features.pkl", "rb") as file: features = pickle.load(file) features_list = [ 'domain_name', 'msa', 'num_alignments', 'seq_length', 'sequence', 'superfamily', 'deletion_matrix', 'resolution', 'between_segment_residues', 'residue_index', 'template_all_atom_mask'] protein = {'aatype': torch.tensor(features['aatype'])} for k in features_list: if k in features: if k in ['domain_name', 'sequence']: protein[k] = np.expand_dims(features[k], -1) else: protein[k] = torch.tensor(features[k]).unsqueeze(-1) for k in ['seq_length', 'num_alignments']: if k in protein: protein[k] = protein[k].clone().detach().unsqueeze(0) protein_squeezed = squeeze_features(protein) for k in features_list: if k in protein: assert protein_squeezed[k].shape == features[k].shape def test_randomly_replace_msa_with_unknown(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) protein = {'msa': torch.tensor(features['msa']), 'aatype': torch.argmax(torch.tensor(features['aatype']), dim=1)} replace_proportion = 0.15 x_idx = 20 protein = randomly_replace_msa_with_unknown.__wrapped__(protein, replace_proportion) unknown_proportion_in_msa = torch.bincount(protein['msa'].flatten()) / torch.numel(protein['msa']) unknown_proportion_in_seq = torch.bincount(protein['aatype'].flatten()) / torch.numel(protein['aatype']) def test_sample_msa(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) max_seq = 1000 keep_extra = True protein = {} for k in MSA_FEATURE_NAMES: if k in features: protein[k] = torch.tensor(features[k]) protein_processed = sample_msa.__wrapped__(protein.copy(), max_seq, keep_extra) for k in MSA_FEATURE_NAMES: if k in protein and keep_extra: assert protein_processed[k].shape[0] == min(protein[k].shape[0], max_seq) assert 'extra_'+k in protein_processed assert protein_processed['extra_'+k].shape[0] == protein[k].shape[0] - min(protein[k].shape[0], max_seq) def test_crop_extra_msa(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) max_extra_msa = 10 protein = {'extra_msa': torch.tensor(features['msa'])} num_seq = protein["extra_msa"].shape[0] protein = crop_extra_msa.__wrapped__(protein, max_extra_msa) for k in MSA_FEATURE_NAMES: if "extra_" + k in protein: assert protein["extra_" + k].shape[0] == min(max_extra_msa, num_seq) def test_delete_extra_msa(self): protein = {'extra_msa': torch.rand((512, 100, 23))} extra_msa_has_deletion_shape = list(protein['extra_msa'].shape) extra_msa_has_deletion_shape[2] = 1 protein['extra_deletion_matrix'] = torch.rand(extra_msa_has_deletion_shape) protein = delete_extra_msa(protein) for k in MSA_FEATURE_NAMES: assert 'extra_' + k not in protein assert 'extra_msa' not in protein def test_nearest_neighbor_clusters(self): with gzip.open('tests/test_data/sample_feats.pickle.gz', 'rb') as f: features = pickle.load(f) protein = {'msa': torch.tensor(features['true_msa'][0], dtype=torch.int64), 'msa_mask': torch.tensor(features['msa_mask'][0], dtype=torch.int64), 'extra_msa': torch.tensor(features['extra_msa'][0], dtype=torch.int64), 'extra_msa_mask': torch.tensor(features['extra_msa_mask'][0], dtype=torch.int64)} protein = nearest_neighbor_clusters.__wrapped__(protein, 0) assert 'extra_cluster_assignment' in protein def test_make_msa_mask(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) msa_mat = torch.tensor(features['msa']) protein = {'msa': msa_mat} protein = make_msa_mask(protein) assert 'msa_row_mask' in protein assert protein['msa_row_mask'].shape[0] == msa_mat.shape[0] def test_make_hhblits_profile(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) protein = {'msa': torch.tensor(features['msa'], dtype=torch.int64)} protein = make_hhblits_profile(protein) assert 'hhblits_profile' in protein assert protein['hhblits_profile'].shape == torch.Size((protein['msa'].shape[1], 22)) def test_make_masked_msa(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) protein = { 'msa': torch.tensor(features['msa'], dtype=torch.int64), 'aatype': torch.tensor(features['aatype'], dtype=torch.int64), } protein = make_hhblits_profile(protein) masked_msa_config = config.data.common.masked_msa protein = make_masked_msa.__wrapped__(protein, masked_msa_config, replace_fraction=0.15) assert 'bert_mask' in protein assert 'true_msa' in protein assert 'msa' in protein assert protein['bert_mask'].sum() >= 0 assert torch.all(torch.eq( protein['true_msa'] * (1-protein['bert_mask']), protein['msa'] * (1-protein['bert_mask']))) def test_make_msa_feat(self): with open('tests/test_data/features.pkl', 'rb') as file: features = pickle.load(file) protein = {'between_segment_residues': torch.tensor(features['between_segment_residues']), 'msa': torch.tensor(features['msa'], dtype=torch.int64), 'deletion_matrix': torch.tensor(features['deletion_matrix_int']), 'aatype': torch.argmax(torch.tensor(features['aatype']), dim=1)} protein = make_msa_feat.__wrapped__(protein) assert 'msa_feat' in protein assert 'target_feat' in protein assert protein['target_feat'].shape == torch.Size((protein['msa'].shape[1], 22)) assert protein['msa_feat'].shape == torch.Size((*protein['msa'].shape, 25)) def test_crop_templates(self): with gzip.open('tests/test_data/sample_feats.pickle.gz', 'rb') as f: features = pickle.load(f) protein = {'template_aatype': torch.tensor(features['true_msa'][0]), 'template_all_atom_masks': torch.tensor(features['msa_mask'][0])} max_templates = 2 protein = crop_templates.__wrapped__(protein, max_templates) assert protein['template_aatype'].shape[0] == max_templates assert protein['template_all_atom_masks'].shape[0] == max_templates def test_make_atom14_masks(self): with gzip.open('tests/test_data/sample_feats.pickle.gz', 'rb') as file: features = pickle.load(file) protein = {'aatype': torch.tensor(features['aatype'][0])} protein = make_atom14_masks(protein) assert 'atom14_atom_exists' in protein assert 'residx_atom14_to_atom37' in protein assert 'residx_atom37_to_atom14' in protein assert 'atom37_atom_exists' in protein if __name__ == '__main__': unittest.main() ================================================ FILE: vendor/openfold/tests/test_embedders.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.embedders import ( InputEmbedder, PreembeddingEmbedder, RecyclingEmbedder, TemplateAngleEmbedder, TemplatePairEmbedder, ) class TestInputEmbedder(unittest.TestCase): def test_shape(self): tf_dim = 2 msa_dim = 3 c_z = 5 c_m = 7 relpos_k = 11 b = 13 n_res = 17 n_clust = 19 tf = torch.rand((b, n_res, tf_dim)) ri = torch.rand((b, n_res)) msa = torch.rand((b, n_clust, n_res, msa_dim)) ie = InputEmbedder(tf_dim, msa_dim, c_z, c_m, relpos_k) msa_emb, pair_emb = ie(tf, ri, msa) self.assertTrue(msa_emb.shape == (b, n_clust, n_res, c_m)) self.assertTrue(pair_emb.shape == (b, n_res, n_res, c_z)) class TestPreembeddingEmbedder(unittest.TestCase): def test_shape(self): tf_dim = 22 preembedding_dim = 1280 c_z = 4 c_m = 6 relpos_k = 10 batch_size = 4 num_res = 20 tf = torch.rand((batch_size, num_res, tf_dim)) ri = torch.rand((batch_size, num_res)) preemb = torch.rand((batch_size, num_res, preembedding_dim)) pe = PreembeddingEmbedder(tf_dim, preembedding_dim, c_z, c_m, relpos_k) seq_emb, pair_emb = pe(tf, ri, preemb) self.assertTrue(seq_emb.shape == (batch_size, 1, num_res, c_m)) self.assertTrue(pair_emb.shape == (batch_size, num_res, num_res, c_z)) class TestRecyclingEmbedder(unittest.TestCase): def test_shape(self): batch_size = 2 n = 3 c_z = 5 c_m = 7 min_bin = 0 max_bin = 10 no_bins = 9 re = RecyclingEmbedder(c_m, c_z, min_bin, max_bin, no_bins) m_1 = torch.rand((batch_size, n, c_m)) z = torch.rand((batch_size, n, n, c_z)) x = torch.rand((batch_size, n, 3)) m_1, z = re(m_1, z, x) self.assertTrue(z.shape == (batch_size, n, n, c_z)) self.assertTrue(m_1.shape == (batch_size, n, c_m)) class TestTemplateAngleEmbedder(unittest.TestCase): def test_shape(self): template_angle_dim = 51 c_m = 256 batch_size = 4 n_templ = 4 n_res = 256 tae = TemplateAngleEmbedder( template_angle_dim, c_m, ) x = torch.rand((batch_size, n_templ, n_res, template_angle_dim)) x = tae(x) self.assertTrue(x.shape == (batch_size, n_templ, n_res, c_m)) class TestTemplatePairEmbedder(unittest.TestCase): def test_shape(self): batch_size = 2 n_templ = 3 n_res = 5 template_pair_dim = 7 c_t = 11 tpe = TemplatePairEmbedder( template_pair_dim, c_t, ) x = torch.rand((batch_size, n_templ, n_res, n_res, template_pair_dim)) x = tpe(x) self.assertTrue(x.shape == (batch_size, n_templ, n_res, n_res, c_t)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_evoformer.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.evoformer import ( MSATransition, EvoformerStack, ExtraMSAStack, ) from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestEvoformerStack(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size n_seq = consts.n_seq n_res = consts.n_res c_m = consts.c_m c_z = consts.c_z c_hidden_msa_att = 12 c_hidden_opm = 17 c_hidden_mul = 19 c_hidden_pair_att = 14 c_s = consts.c_s no_heads_msa = 3 no_heads_pair = 7 no_blocks = 2 transition_n = 2 msa_dropout = 0.15 pair_stack_dropout = 0.25 inf = 1e9 eps = 1e-10 es = EvoformerStack( c_m, c_z, c_hidden_msa_att, c_hidden_opm, c_hidden_mul, c_hidden_pair_att, c_s, no_heads_msa, no_heads_pair, no_blocks, transition_n, msa_dropout, pair_stack_dropout, blocks_per_ckpt=None, no_column_attention=False, inf=inf, eps=eps, ).eval() m = torch.rand((batch_size, n_seq, n_res, c_m)) z = torch.rand((batch_size, n_res, n_res, c_z)) msa_mask = torch.randint(0, 2, size=(batch_size, n_seq, n_res)) pair_mask = torch.randint(0, 2, size=(batch_size, n_res, n_res)) shape_m_before = m.shape shape_z_before = z.shape m, z, s = es( m, z, chunk_size=4, msa_mask=msa_mask, pair_mask=pair_mask ) self.assertTrue(m.shape == shape_m_before) self.assertTrue(z.shape == shape_z_before) self.assertTrue(s.shape == (batch_size, n_res, c_s)) def test_shape_without_column_attention(self): batch_size = consts.batch_size n_seq = consts.n_seq n_res = consts.n_res c_m = consts.c_m c_z = consts.c_z c_hidden_msa_att = 12 c_hidden_opm = 17 c_hidden_mul = 19 c_hidden_pair_att = 14 c_s = consts.c_s no_heads_msa = 3 no_heads_pair = 7 no_blocks = 2 transition_n = 2 msa_dropout = 0.15 pair_stack_dropout = 0.25 inf = 1e9 eps = 1e-10 es = EvoformerStack( c_m, c_z, c_hidden_msa_att, c_hidden_opm, c_hidden_mul, c_hidden_pair_att, c_s, no_heads_msa, no_heads_pair, no_blocks, transition_n, msa_dropout, pair_stack_dropout, blocks_per_ckpt=None, no_column_attention=True, inf=inf, eps=eps, ).eval() m_init = torch.rand((batch_size, n_seq, n_res, c_m)) z_init = torch.rand((batch_size, n_res, n_res, c_z)) msa_mask = torch.randint(0, 2, size=(batch_size, n_seq, n_res)) pair_mask = torch.randint(0, 2, size=(batch_size, n_res, n_res)) shape_m_before = m_init.shape shape_z_before = z_init.shape m, z, s = es( m_init, z_init, chunk_size=4, msa_mask=msa_mask, pair_mask=pair_mask ) self.assertTrue(m.shape == shape_m_before) self.assertTrue(z.shape == shape_z_before) self.assertTrue(s.shape == (batch_size, n_res, c_s)) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_ei(activations, masks): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer ei = alphafold.model.modules.EvoformerIteration( c_e, config.model.global_config, is_extra_msa=False ) return ei(activations, masks, is_training=False) f = hk.transform(run_ei) n_res = consts.n_res n_seq = consts.n_seq activations = { "msa": np.random.rand(n_seq, n_res, consts.c_m).astype(np.float32), "pair": np.random.rand(n_res, n_res, consts.c_z).astype(np.float32), } masks = { "msa": np.random.randint(0, 2, (n_seq, n_res)).astype(np.float32), "pair": np.random.randint(0, 2, (n_res, n_res)).astype(np.float32), } params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) key = jax.random.PRNGKey(42) out_gt = f.apply(params, key, activations, masks) jax.tree_map(lambda x: x.block_until_ready(), out_gt) out_gt_msa = torch.as_tensor(np.array(out_gt["msa"])) out_gt_pair = torch.as_tensor(np.array(out_gt["pair"])) model = compare_utils.get_global_pretrained_openfold() out_repro_msa, out_repro_pair = model.evoformer.blocks[0]( torch.as_tensor(activations["msa"]).cuda(), torch.as_tensor(activations["pair"]).cuda(), torch.as_tensor(masks["msa"]).cuda(), torch.as_tensor(masks["pair"]).cuda(), chunk_size=4, _mask_trans=False, inplace_safe=False, ) out_repro_msa = out_repro_msa.cpu() out_repro_pair = out_repro_pair.cpu() self.assertTrue(torch.mean(torch.abs(out_repro_msa - out_gt_msa)) < consts.eps) self.assertTrue(torch.max(torch.abs(out_repro_pair - out_gt_pair)) < consts.eps) # Inplace version out_repro_msa, out_repro_pair = model.evoformer.blocks[0]( torch.as_tensor(activations["msa"]).cuda(), torch.as_tensor(activations["pair"]).cuda(), torch.as_tensor(masks["msa"]).cuda(), torch.as_tensor(masks["pair"]).cuda(), chunk_size=4, _mask_trans=False, inplace_safe=True, ) out_repro_msa = out_repro_msa.cpu() out_repro_pair = out_repro_pair.cpu() self.assertTrue(torch.mean(torch.abs(out_repro_msa - out_gt_msa)) < consts.eps) self.assertTrue(torch.max(torch.abs(out_repro_pair - out_gt_pair)) < consts.eps) class TestExtraMSAStack(unittest.TestCase): def test_shape(self): batch_size = 2 s_t = 23 n_res = 5 c_m = 7 c_z = 11 c_hidden_msa_att = 12 c_hidden_opm = 17 c_hidden_mul = 19 c_hidden_tri_att = 16 no_heads_msa = 3 no_heads_pair = 8 no_blocks = 2 transition_n = 5 msa_dropout = 0.15 pair_stack_dropout = 0.25 inf = 1e9 eps = 1e-10 es = ExtraMSAStack( c_m, c_z, c_hidden_msa_att, c_hidden_opm, c_hidden_mul, c_hidden_tri_att, no_heads_msa, no_heads_pair, no_blocks, transition_n, msa_dropout, pair_stack_dropout, ckpt=False, inf=inf, eps=eps, ).eval().cuda() m = torch.rand((batch_size, s_t, n_res, c_m), device="cuda") z = torch.rand((batch_size, n_res, n_res, c_z), device="cuda") msa_mask = torch.randint( 0, 2, size=( batch_size, s_t, n_res, ), device="cuda", ).float() pair_mask = torch.randint( 0, 2, size=( batch_size, n_res, n_res, ), device="cuda", ).float() shape_z_before = z.shape z = es(m, z, chunk_size=4, msa_mask=msa_mask, pair_mask=pair_mask) self.assertTrue(z.shape == shape_z_before) class TestMSATransition(unittest.TestCase): def test_shape(self): batch_size = 2 s_t = 3 n_r = 5 c_m = 7 n = 11 mt = MSATransition(c_m, n) m = torch.rand((batch_size, s_t, n_r, c_m)) shape_before = m.shape m = mt(m, chunk_size=4) shape_after = m.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_msa_transition(msa_act, msa_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer msa_trans = alphafold.model.modules.Transition( c_e.msa_transition, config.model.global_config, name="msa_transition", ) act = msa_trans(act=msa_act, mask=msa_mask) return act f = hk.transform(run_msa_transition) n_res = consts.n_res n_seq = consts.n_seq msa_act = np.random.rand(n_seq, n_res, consts.c_m).astype(np.float32) msa_mask = np.ones((n_seq, n_res)).astype( np.float32 ) # no mask here either # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + "msa_transition" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, msa_act, msa_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.evoformer.blocks[0].core.msa_transition( torch.as_tensor(msa_act, dtype=torch.float32).cuda(), mask=torch.as_tensor(msa_mask, dtype=torch.float32).cuda(), ) .cpu() ) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_feats.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest import openfold.data.data_transforms as data_transforms from openfold.np.residue_constants import ( restype_rigid_group_default_frame, restype_atom14_to_rigid_group, restype_atom14_mask, restype_atom14_rigid_group_positions, ) import openfold.utils.feats as feats from openfold.utils.rigid_utils import Rotation, Rigid from openfold.utils.tensor_utils import ( tree_map, tensor_tree_map, ) import tests.compare_utils as compare_utils from tests.config import consts from tests.data_utils import random_affines_4x4 if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestFeats(unittest.TestCase): @compare_utils.skip_unless_alphafold_installed() def test_pseudo_beta_fn_compare(self): def test_pbf(aatype, all_atom_pos, all_atom_mask): return alphafold.model.modules.pseudo_beta_fn( aatype, all_atom_pos, all_atom_mask, ) f = hk.transform(test_pbf) n_res = consts.n_res aatype = np.random.randint(0, 22, (n_res,)) all_atom_pos = np.random.rand(n_res, 37, 3).astype(np.float32) all_atom_mask = np.random.randint(0, 2, (n_res, 37)) out_gt_pos, out_gt_mask = f.apply( {}, None, aatype, all_atom_pos, all_atom_mask ) out_gt_pos = torch.tensor(np.array(out_gt_pos.block_until_ready())) out_gt_mask = torch.tensor(np.array(out_gt_mask.block_until_ready())) out_repro_pos, out_repro_mask = feats.pseudo_beta_fn( torch.tensor(aatype).cuda(), torch.tensor(all_atom_pos).cuda(), torch.tensor(all_atom_mask).cuda(), ) out_repro_pos = out_repro_pos.cpu() out_repro_mask = out_repro_mask.cpu() self.assertTrue( torch.max(torch.abs(out_gt_pos - out_repro_pos)) < consts.eps ) self.assertTrue( torch.max(torch.abs(out_gt_mask - out_repro_mask)) < consts.eps ) @compare_utils.skip_unless_alphafold_installed() def test_atom37_to_torsion_angles_compare(self): def run_test(aatype, all_atom_pos, all_atom_mask): return alphafold.model.all_atom.atom37_to_torsion_angles( aatype, all_atom_pos, all_atom_mask, placeholder_for_undefined=False, ) f = hk.transform(run_test) n_templ = 7 n_res = 13 aatype = np.random.randint(0, 22, (n_templ, n_res)).astype(np.int64) all_atom_pos = np.random.rand(n_templ, n_res, 37, 3).astype(np.float32) all_atom_mask = np.random.randint(0, 2, (n_templ, n_res, 37)).astype( np.float32 ) out_gt = f.apply({}, None, aatype, all_atom_pos, all_atom_mask) out_gt = jax.tree_map(lambda x: torch.as_tensor(np.array(x)), out_gt) out_repro = data_transforms.atom37_to_torsion_angles()( { "aatype": torch.as_tensor(aatype).cuda(), "all_atom_positions": torch.as_tensor(all_atom_pos).cuda(), "all_atom_mask": torch.as_tensor(all_atom_mask).cuda(), }, ) tasc = out_repro["torsion_angles_sin_cos"].cpu() atasc = out_repro["alt_torsion_angles_sin_cos"].cpu() tam = out_repro["torsion_angles_mask"].cpu() # This function is extremely sensitive to floating point imprecisions, # so it is given much greater latitude in comparison tests. self.assertTrue( torch.mean(torch.abs(out_gt["torsion_angles_sin_cos"] - tasc)) < 0.01 ) self.assertTrue( torch.mean(torch.abs(out_gt["alt_torsion_angles_sin_cos"] - atasc)) < 0.01 ) self.assertTrue( torch.max(torch.abs(out_gt["torsion_angles_mask"] - tam)) < consts.eps ) @compare_utils.skip_unless_alphafold_installed() def test_atom37_to_frames_compare(self): def run_atom37_to_frames(aatype, all_atom_positions, all_atom_mask): return alphafold.model.all_atom.atom37_to_frames( aatype, all_atom_positions, all_atom_mask ) f = hk.transform(run_atom37_to_frames) n_res = consts.n_res batch = { "aatype": np.random.randint(0, 21, (n_res,)), "all_atom_positions": np.random.rand(n_res, 37, 3).astype( np.float32 ), "all_atom_mask": np.random.randint(0, 2, (n_res, 37)).astype( np.float32 ), } out_gt = f.apply({}, None, **batch) to_tensor = lambda t: torch.tensor(np.array(t)) out_gt = {k: to_tensor(v) for k, v in out_gt.items()} def flat12_to_4x4(flat12): rot = flat12[..., :9].view(*flat12.shape[:-1], 3, 3) trans = flat12[..., 9:] four_by_four = torch.zeros(*flat12.shape[:-1], 4, 4) four_by_four[..., :3, :3] = rot four_by_four[..., :3, 3] = trans four_by_four[..., 3, 3] = 1 return four_by_four out_gt["rigidgroups_gt_frames"] = flat12_to_4x4( out_gt["rigidgroups_gt_frames"] ) out_gt["rigidgroups_alt_gt_frames"] = flat12_to_4x4( out_gt["rigidgroups_alt_gt_frames"] ) to_tensor = lambda t: torch.tensor(np.array(t)).cuda() batch = tree_map(to_tensor, batch, np.ndarray) out_repro = data_transforms.atom37_to_frames(batch) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) for k, v in out_gt.items(): self.assertTrue( torch.max(torch.abs(out_gt[k] - out_repro[k])) < consts.eps ) def test_torsion_angles_to_frames_shape(self): batch_size = 2 n = 5 rots = torch.rand((batch_size, n, 3, 3)) trans = torch.rand((batch_size, n, 3)) ts = Rigid(Rotation(rot_mats=rots), trans) angles = torch.rand((batch_size, n, 7, 2)) aas = torch.tensor([i % 2 for i in range(n)]) aas = torch.stack([aas for _ in range(batch_size)]) frames = feats.torsion_angles_to_frames( ts, angles, aas, torch.tensor(restype_rigid_group_default_frame), ) self.assertTrue(frames.shape == (batch_size, n, 8)) @compare_utils.skip_unless_alphafold_installed() def test_torsion_angles_to_frames_compare(self): def run_torsion_angles_to_frames( aatype, backb_to_global, torsion_angles_sin_cos ): return alphafold.model.all_atom.torsion_angles_to_frames( aatype, backb_to_global, torsion_angles_sin_cos, ) f = hk.transform(run_torsion_angles_to_frames) n_res = consts.n_res aatype = np.random.randint(0, 21, size=(n_res,)) affines = random_affines_4x4((n_res,)) rigids = alphafold.model.r3.rigids_from_tensor4x4(affines) transformations = Rigid.from_tensor_4x4( torch.as_tensor(affines).float() ) torsion_angles_sin_cos = np.random.rand(n_res, 7, 2) out_gt = f.apply({}, None, aatype, rigids, torsion_angles_sin_cos) jax.tree_map(lambda x: x.block_until_ready(), out_gt) out = feats.torsion_angles_to_frames( transformations.cuda(), torch.as_tensor(torsion_angles_sin_cos).cuda(), torch.as_tensor(aatype).cuda(), torch.tensor(restype_rigid_group_default_frame).cuda(), ) # Convert the Rigids to 4x4 transformation tensors rots_gt = list(map(lambda x: torch.as_tensor(np.array(x)), out_gt.rot)) trans_gt = list( map(lambda x: torch.as_tensor(np.array(x)), out_gt.trans) ) rots_gt = torch.cat([x.unsqueeze(-1) for x in rots_gt], dim=-1) rots_gt = rots_gt.view(*rots_gt.shape[:-1], 3, 3) trans_gt = torch.cat([x.unsqueeze(-1) for x in trans_gt], dim=-1) transforms_gt = torch.cat([rots_gt, trans_gt.unsqueeze(-1)], dim=-1) bottom_row = torch.zeros((*rots_gt.shape[:-2], 1, 4)) bottom_row[..., 3] = 1 transforms_gt = torch.cat([transforms_gt, bottom_row], dim=-2) transforms_repro = out.to_tensor_4x4().cpu() self.assertTrue( torch.max(torch.abs(transforms_gt - transforms_repro) < consts.eps) ) def test_frames_and_literature_positions_to_atom14_pos_shape(self): batch_size = consts.batch_size n_res = consts.n_res rots = torch.rand((batch_size, n_res, 8, 3, 3)) trans = torch.rand((batch_size, n_res, 8, 3)) ts = Rigid(Rotation(rot_mats=rots), trans) f = torch.randint(low=0, high=21, size=(batch_size, n_res)).long() xyz = feats.frames_and_literature_positions_to_atom14_pos( ts, f, torch.tensor(restype_rigid_group_default_frame), torch.tensor(restype_atom14_to_rigid_group), torch.tensor(restype_atom14_mask), torch.tensor(restype_atom14_rigid_group_positions), ) self.assertTrue(xyz.shape == (batch_size, n_res, 14, 3)) @compare_utils.skip_unless_alphafold_installed() def test_frames_and_literature_positions_to_atom14_pos_compare(self): def run_f(aatype, affines): am = alphafold.model return am.all_atom.frames_and_literature_positions_to_atom14_pos( aatype, affines ) f = hk.transform(run_f) n_res = consts.n_res aatype = np.random.randint(0, 21, size=(n_res,)) affines = random_affines_4x4((n_res, 8)) rigids = alphafold.model.r3.rigids_from_tensor4x4(affines) transformations = Rigid.from_tensor_4x4( torch.as_tensor(affines).float() ) out_gt = f.apply({}, None, aatype, rigids) jax.tree_map(lambda x: x.block_until_ready(), out_gt) out_gt = torch.stack( [torch.as_tensor(np.array(x)) for x in out_gt], dim=-1 ) out_repro = feats.frames_and_literature_positions_to_atom14_pos( transformations.cuda(), torch.as_tensor(aatype).cuda(), torch.tensor(restype_rigid_group_default_frame).cuda(), torch.tensor(restype_atom14_to_rigid_group).cuda(), torch.tensor(restype_atom14_mask).cuda(), torch.tensor(restype_atom14_rigid_group_positions).cuda(), ).cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro) < consts.eps)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_import_weights.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.config import model_config from openfold.model.model import AlphaFold from openfold.utils.import_weights import import_jax_weights_ class TestImportWeights(unittest.TestCase): def test_import_jax_weights_(self): npz_path = "openfold/resources/params/params_model_1_ptm.npz" c = model_config("model_1_ptm") c.globals.blocks_per_ckpt = None model = AlphaFold(c) import_jax_weights_( model, npz_path, ) data = np.load(npz_path) prefix = "alphafold/alphafold_iteration/" test_pairs = [ # Normal linear weight ( torch.as_tensor( data[ prefix + "structure_module/initial_projection//weights" ] ).transpose(-1, -2), model.structure_module.linear_in.weight, ), # Normal layer norm param ( torch.as_tensor( data[prefix + "evoformer/prev_pair_norm//offset"], ), model.recycling_embedder.layer_norm_z.bias, ), # From a stack ( torch.as_tensor( data[ prefix + ( "evoformer/evoformer_iteration/outer_product_mean/" "left_projection//weights" ) ][1].transpose(-1, -2) ), model.evoformer.blocks[1].core.outer_product_mean.linear_1.weight, ), ] for w_alpha, w_repro in test_pairs: self.assertTrue(torch.all(w_alpha == w_repro)) ================================================ FILE: vendor/openfold/tests/test_kernels.py ================================================ #!/usr/bin/env python # -*- coding: utf-8 -*- import torch import unittest from openfold.model.primitives import _attention from openfold.utils.kernel.attention_core import attention_core from tests.config import consts class TestAttentionCore(unittest.TestCase): def test_attention_core_forward(self): n_res = consts.n_res h = consts.n_heads_extra_msa n_seq = consts.n_extra c = consts.c_e dtype = torch.float32 q = torch.rand([n_seq, h, n_res, c], dtype=dtype).cuda() k = torch.rand([n_seq, h, n_res, c], dtype=dtype).cuda() v = torch.rand([n_seq, h, n_res, c], dtype=dtype).cuda() mask = torch.randint(0, 2, [n_seq, n_res]).cuda() mask_bias = (1e9 * mask - 1)[..., None, None, :].to(dtype) out_repro = attention_core(q, k, v, mask_bias, None) out_gt = _attention(q, k, v, [mask_bias]) self.assertTrue(torch.max(torch.abs(out_repro - out_gt)) < consts.eps) def test_attention_core_backward(self): n_res = consts.n_res h = consts.n_heads_extra_msa n_seq = consts.n_extra c = consts.c_e dtype = torch.float32 q = torch.rand( [n_seq, h, n_res, c], dtype=dtype, requires_grad=True ).cuda() k = torch.rand( [n_seq, h, n_res, c], dtype=dtype, requires_grad=True ).cuda() v = torch.rand( [n_seq, h, n_res, c], dtype=dtype, requires_grad=True ).cuda() mask = torch.randint(0, 2, [n_seq, n_res]).cuda() mask_bias = (1e9 * mask - 1)[..., None, None, :].to(dtype) def clone(t): t = t.clone() if(t.requires_grad): t.retain_grad() return t q_repro = clone(q) k_repro = clone(k) v_repro = clone(v) out_repro = attention_core( q_repro, k_repro, v_repro, mask_bias, None ) loss_repro = torch.mean(out_repro) loss_repro.backward() q_gt = clone(q) k_gt = clone(k) v_gt = clone(v) out_gt = _attention( q_gt, k_gt, v_gt, [mask_bias] ) loss_gt = torch.mean(out_gt) loss_gt.backward() pairs = zip([q_repro, k_repro, v_repro], [q_gt, k_gt, v_gt]) for t_repro, t_gt in pairs: self.assertTrue( torch.max(torch.abs(t_repro.grad - t_gt.grad)) < consts.eps ) if __name__ == '__main__': unittest.main() ================================================ FILE: vendor/openfold/tests/test_loss.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import os import math import torch import numpy as np import unittest import ml_collections as mlc from openfold.data import data_transforms from openfold.utils.rigid_utils import ( Rotation, Rigid, ) import openfold.utils.feats as feats from openfold.utils.loss import ( torsion_angle_loss, compute_fape, between_residue_bond_loss, between_residue_clash_loss, find_structural_violations, compute_renamed_ground_truth, masked_msa_loss, distogram_loss, experimentally_resolved_loss, violation_loss, fape_loss, lddt_loss, supervised_chi_loss, backbone_loss, sidechain_loss, tm_loss, compute_plddt, ) from openfold.utils.tensor_utils import ( tree_map, tensor_tree_map, dict_multimap, ) import tests.compare_utils as compare_utils from tests.config import consts from tests.data_utils import random_affines_vector, random_affines_4x4 if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk def affine_vector_to_4x4(affine): r = Rigid.from_tensor_7(affine) return r.to_tensor_4x4() class TestLoss(unittest.TestCase): def test_run_torsion_angle_loss(self): batch_size = consts.batch_size n_res = consts.n_res a = torch.rand((batch_size, n_res, 7, 2)) a_gt = torch.rand((batch_size, n_res, 7, 2)) a_alt_gt = torch.rand((batch_size, n_res, 7, 2)) loss = torsion_angle_loss(a, a_gt, a_alt_gt) def test_run_fape(self): batch_size = consts.batch_size n_frames = 7 n_atoms = 5 x = torch.rand((batch_size, n_atoms, 3)) x_gt = torch.rand((batch_size, n_atoms, 3)) rots = torch.rand((batch_size, n_frames, 3, 3)) rots_gt = torch.rand((batch_size, n_frames, 3, 3)) trans = torch.rand((batch_size, n_frames, 3)) trans_gt = torch.rand((batch_size, n_frames, 3)) t = Rigid(Rotation(rot_mats=rots), trans) t_gt = Rigid(Rotation(rot_mats=rots_gt), trans_gt) frames_mask = torch.randint(0, 2, (batch_size, n_frames)).float() positions_mask = torch.randint(0, 2, (batch_size, n_atoms)).float() length_scale = 10 loss = compute_fape( pred_frames=t, target_frames=t_gt, frames_mask=frames_mask, pred_positions=x, target_positions=x_gt, positions_mask=positions_mask, length_scale=length_scale, ) def test_run_between_residue_bond_loss(self): bs = consts.batch_size n = consts.n_res pred_pos = torch.rand(bs, n, 14, 3) pred_atom_mask = torch.randint(0, 2, (bs, n, 14)) residue_index = torch.arange(n).unsqueeze(0) aatype = torch.randint( 0, 22, ( bs, n, ), ) between_residue_bond_loss( pred_pos, pred_atom_mask, residue_index, aatype, ) @compare_utils.skip_unless_alphafold_installed() def test_between_residue_bond_loss_compare(self): def run_brbl(pred_pos, pred_atom_mask, residue_index, aatype): return alphafold.model.all_atom.between_residue_bond_loss( pred_pos, pred_atom_mask, residue_index, aatype, ) f = hk.transform(run_brbl) n_res = consts.n_res pred_pos = np.random.rand(n_res, 14, 3).astype(np.float32) pred_atom_mask = np.random.randint(0, 2, (n_res, 14)).astype(np.float32) residue_index = np.arange(n_res) aatype = np.random.randint(0, 22, (n_res,)) out_gt = f.apply( {}, None, pred_pos, pred_atom_mask, residue_index, aatype, ) out_gt = jax.tree_map(lambda x: x.block_until_ready(), out_gt) out_gt = jax.tree_map(lambda x: torch.tensor(np.copy(x)), out_gt) out_repro = between_residue_bond_loss( torch.tensor(pred_pos).cuda(), torch.tensor(pred_atom_mask).cuda(), torch.tensor(residue_index).cuda(), torch.tensor(aatype).cuda(), ) out_repro = tensor_tree_map(lambda x: x.cpu(), out_repro) for k in out_gt.keys(): self.assertTrue( torch.max(torch.abs(out_gt[k] - out_repro[k])) < consts.eps ) def test_run_between_residue_clash_loss(self): bs = consts.batch_size n = consts.n_res pred_pos = torch.rand(bs, n, 14, 3) pred_atom_mask = torch.randint(0, 2, (bs, n, 14)).float() atom14_atom_radius = torch.rand(bs, n, 14) residue_index = torch.arange(n).unsqueeze(0) loss = between_residue_clash_loss( pred_pos, pred_atom_mask, atom14_atom_radius, residue_index, ) @compare_utils.skip_unless_alphafold_installed() def test_between_residue_clash_loss_compare(self): def run_brcl(pred_pos, atom_exists, atom_radius, res_ind): return alphafold.model.all_atom.between_residue_clash_loss( pred_pos, atom_exists, atom_radius, res_ind, ) f = hk.transform(run_brcl) n_res = consts.n_res pred_pos = np.random.rand(n_res, 14, 3).astype(np.float32) atom_exists = np.random.randint(0, 2, (n_res, 14)).astype(np.float32) atom_radius = np.random.rand(n_res, 14).astype(np.float32) res_ind = np.arange( n_res, ) out_gt = f.apply( {}, None, pred_pos, atom_exists, atom_radius, res_ind, ) out_gt = jax.tree_map(lambda x: x.block_until_ready(), out_gt) out_gt = jax.tree_map(lambda x: torch.tensor(np.copy(x)), out_gt) out_repro = between_residue_clash_loss( torch.tensor(pred_pos).cuda(), torch.tensor(atom_exists).cuda(), torch.tensor(atom_radius).cuda(), torch.tensor(res_ind).cuda(), ) out_repro = tensor_tree_map(lambda x: x.cpu(), out_repro) for k in out_gt.keys(): self.assertTrue( torch.max(torch.abs(out_gt[k] - out_repro[k])) < consts.eps ) @compare_utils.skip_unless_alphafold_installed() def test_compute_plddt_compare(self): n_res = consts.n_res logits = np.random.rand(n_res, 50) out_gt = alphafold.common.confidence.compute_plddt(logits) out_gt = torch.tensor(out_gt) logits_t = torch.tensor(logits) out_repro = compute_plddt(logits_t) self.assertTrue( torch.max(torch.abs(out_gt - out_repro)) < consts.eps ) def test_find_structural_violations(self): n = consts.n_res batch = { "atom14_atom_exists": torch.randint(0, 2, (n, 14)), "residue_index": torch.arange(n), "aatype": torch.randint(0, 20, (n,)), "residx_atom14_to_atom37": torch.randint(0, 37, (n, 14)).long(), } pred_pos = torch.rand(n, 14, 3) config = { "clash_overlap_tolerance": 1.5, "violation_tolerance_factor": 12.0, } find_structural_violations(batch, pred_pos, **config) @compare_utils.skip_unless_alphafold_installed() def test_find_structural_violations_compare(self): def run_fsv(batch, pos, config): cwd = os.getcwd() os.chdir("tests/test_data") loss = alphafold.model.folding.find_structural_violations( batch, pos, config, ) os.chdir(cwd) return loss f = hk.transform(run_fsv) n_res = consts.n_res batch = { "atom14_atom_exists": np.random.randint(0, 2, (n_res, 14)), "residue_index": np.arange(n_res), "aatype": np.random.randint(0, 20, (n_res,)), "residx_atom14_to_atom37": np.random.randint( 0, 37, (n_res, 14) ).astype(np.int64), } pred_pos = np.random.rand(n_res, 14, 3) config = mlc.ConfigDict( { "clash_overlap_tolerance": 1.5, "violation_tolerance_factor": 12.0, } ) out_gt = f.apply({}, None, batch, pred_pos, config) out_gt = jax.tree_map(lambda x: x.block_until_ready(), out_gt) out_gt = jax.tree_map(lambda x: torch.tensor(np.copy(x)), out_gt) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) out_repro = find_structural_violations( batch, torch.tensor(pred_pos).cuda(), **config, ) out_repro = tensor_tree_map(lambda x: x.cpu(), out_repro) def compare(out): gt, repro = out assert torch.max(torch.abs(gt - repro)) < consts.eps dict_multimap(compare, [out_gt, out_repro]) @compare_utils.skip_unless_alphafold_installed() def test_compute_renamed_ground_truth_compare(self): def run_crgt(batch, atom14_pred_pos): return alphafold.model.folding.compute_renamed_ground_truth( batch, atom14_pred_pos, ) f = hk.transform(run_crgt) n_res = consts.n_res batch = { "seq_mask": np.random.randint(0, 2, (n_res,)).astype(np.float32), "aatype": np.random.randint(0, 20, (n_res,)), "atom14_gt_positions": np.random.rand(n_res, 14, 3), "atom14_gt_exists": np.random.randint(0, 2, (n_res, 14)).astype( np.float32 ), "all_atom_mask": np.random.randint(0, 2, (n_res, 37)).astype( np.float32 ), "all_atom_positions": np.random.rand(n_res, 37, 3).astype( np.float32 ), } def _build_extra_feats_np(): b = tree_map(lambda n: torch.tensor(n), batch, np.ndarray) b = data_transforms.make_atom14_masks(b) b = data_transforms.make_atom14_positions(b) return tensor_tree_map(lambda t: np.array(t), b) batch = _build_extra_feats_np() atom14_pred_pos = np.random.rand(n_res, 14, 3) out_gt = f.apply({}, None, batch, atom14_pred_pos) out_gt = jax.tree_map(lambda x: torch.tensor(np.array(x)), out_gt) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) atom14_pred_pos = torch.tensor(atom14_pred_pos).cuda() out_repro = compute_renamed_ground_truth(batch, atom14_pred_pos) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) for k in out_repro: self.assertTrue( torch.max(torch.abs(out_gt[k] - out_repro[k])) < consts.eps ) @compare_utils.skip_unless_alphafold_installed() def test_msa_loss_compare(self): def run_msa_loss(value, batch): config = compare_utils.get_alphafold_config() msa_head = alphafold.model.modules.MaskedMsaHead( config.model.heads.masked_msa, config.model.global_config ) return msa_head.loss(value, batch) f = hk.transform(run_msa_loss) n_res = consts.n_res n_seq = consts.n_seq value = { "logits": np.random.rand(n_res, n_seq, 23).astype(np.float32), } batch = { "true_msa": np.random.randint(0, 21, (n_res, n_seq)), "bert_mask": np.random.randint(0, 2, (n_res, n_seq)).astype( np.float32 ), } out_gt = f.apply({}, None, value, batch)["loss"] out_gt = torch.tensor(np.array(out_gt)) value = tree_map(lambda x: torch.tensor(x).cuda(), value, np.ndarray) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) with torch.no_grad(): out_repro = masked_msa_loss( value["logits"], **batch, ) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_distogram_loss_compare(self): config = compare_utils.get_alphafold_config() c_distogram = config.model.heads.distogram def run_distogram_loss(value, batch): dist_head = alphafold.model.modules.DistogramHead( c_distogram, config.model.global_config ) return dist_head.loss(value, batch) f = hk.transform(run_distogram_loss) n_res = consts.n_res value = { "logits": np.random.rand(n_res, n_res, c_distogram.num_bins).astype( np.float32 ), "bin_edges": np.linspace( c_distogram.first_break, c_distogram.last_break, c_distogram.num_bins, ), } batch = { "pseudo_beta": np.random.rand(n_res, 3).astype(np.float32), "pseudo_beta_mask": np.random.randint(0, 2, (n_res,)), } out_gt = f.apply({}, None, value, batch)["loss"] out_gt = torch.tensor(np.array(out_gt)) value = tree_map(lambda x: torch.tensor(x).cuda(), value, np.ndarray) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) with torch.no_grad(): out_repro = distogram_loss( logits=value["logits"], min_bin=c_distogram.first_break, max_bin=c_distogram.last_break, no_bins=c_distogram.num_bins, **batch, ) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_experimentally_resolved_loss_compare(self): config = compare_utils.get_alphafold_config() c_experimentally_resolved = config.model.heads.experimentally_resolved def run_experimentally_resolved_loss(value, batch): er_head = alphafold.model.modules.ExperimentallyResolvedHead( c_experimentally_resolved, config.model.global_config ) return er_head.loss(value, batch) f = hk.transform(run_experimentally_resolved_loss) n_res = consts.n_res value = { "logits": np.random.rand(n_res, 37).astype(np.float32), } batch = { "all_atom_mask": np.random.randint(0, 2, (n_res, 37)), "atom37_atom_exists": np.random.randint(0, 2, (n_res, 37)), "resolution": np.array(1.0), } out_gt = f.apply({}, None, value, batch)["loss"] out_gt = torch.tensor(np.array(out_gt)) value = tree_map(lambda x: torch.tensor(x).cuda(), value, np.ndarray) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) with torch.no_grad(): out_repro = experimentally_resolved_loss( logits=value["logits"], min_resolution=c_experimentally_resolved.min_resolution, max_resolution=c_experimentally_resolved.max_resolution, **batch, ) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_supervised_chi_loss_compare(self): config = compare_utils.get_alphafold_config() c_chi_loss = config.model.heads.structure_module def run_supervised_chi_loss(value, batch): ret = { "loss": jax.numpy.array(0.0), } alphafold.model.folding.supervised_chi_loss( ret, batch, value, c_chi_loss ) return ret["loss"] f = hk.transform(run_supervised_chi_loss) n_res = consts.n_res value = { "sidechains": { "angles_sin_cos": np.random.rand(8, n_res, 7, 2).astype( np.float32 ), "unnormalized_angles_sin_cos": np.random.rand( 8, n_res, 7, 2 ).astype(np.float32), } } batch = { "aatype": np.random.randint(0, 21, (n_res,)), "seq_mask": np.random.randint(0, 2, (n_res,)), "chi_mask": np.random.randint(0, 2, (n_res, 4)), "chi_angles": np.random.rand(n_res, 4).astype(np.float32), } out_gt = f.apply({}, None, value, batch) out_gt = torch.tensor(np.array(out_gt.block_until_ready())) value = tree_map(lambda x: torch.tensor(x).cuda(), value, np.ndarray) batch = tree_map(lambda x: torch.tensor(x).cuda(), batch, np.ndarray) batch["chi_angles_sin_cos"] = torch.stack( [ torch.sin(batch["chi_angles"]), torch.cos(batch["chi_angles"]), ], dim=-1, ) with torch.no_grad(): out_repro = supervised_chi_loss( chi_weight=c_chi_loss.chi_weight, angle_norm_weight=c_chi_loss.angle_norm_weight, **{**batch, **value["sidechains"]}, ) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_violation_loss_compare(self): config = compare_utils.get_alphafold_config() c_viol = config.model.heads.structure_module def run_viol_loss(batch, atom14_pred_pos): ret = { "loss": np.array(0.0).astype(np.float32), } value = {} value[ "violations" ] = alphafold.model.folding.find_structural_violations( batch, atom14_pred_pos, c_viol, ) alphafold.model.folding.structural_violation_loss( ret, batch, value, c_viol, ) return ret["loss"] f = hk.transform(run_viol_loss) n_res = consts.n_res batch = { "seq_mask": np.random.randint(0, 2, (n_res,)).astype(np.float32), "residue_index": np.arange(n_res), "aatype": np.random.randint(0, 21, (n_res,)), } alphafold.model.tf.data_transforms.make_atom14_masks(batch) batch = {k: np.array(v) for k, v in batch.items()} atom14_pred_pos = np.random.rand(n_res, 14, 3).astype(np.float32) out_gt = f.apply({}, None, batch, atom14_pred_pos) out_gt = torch.tensor(np.array(out_gt.block_until_ready())) batch = tree_map(lambda n: torch.tensor(n).cuda(), batch, np.ndarray) atom14_pred_pos = torch.tensor(atom14_pred_pos).cuda() batch = data_transforms.make_atom14_masks(batch) out_repro = violation_loss( find_structural_violations(batch, atom14_pred_pos, **c_viol), **batch, ) out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_lddt_loss_compare(self): config = compare_utils.get_alphafold_config() c_plddt = config.model.heads.predicted_lddt def run_plddt_loss(value, batch): head = alphafold.model.modules.PredictedLDDTHead( c_plddt, config.model.global_config ) return head.loss(value, batch) f = hk.transform(run_plddt_loss) n_res = consts.n_res value = { "predicted_lddt": { "logits": np.random.rand(n_res, c_plddt.num_bins).astype( np.float32 ), }, "structure_module": { "final_atom_positions": np.random.rand(n_res, 37, 3).astype( np.float32 ), }, } batch = { "all_atom_positions": np.random.rand(n_res, 37, 3).astype( np.float32 ), "all_atom_mask": np.random.randint(0, 2, (n_res, 37)).astype( np.float32 ), "resolution": np.array(1.0).astype(np.float32), } out_gt = f.apply({}, None, value, batch) out_gt = torch.tensor(np.array(out_gt["loss"])) to_tensor = lambda t: torch.tensor(t).cuda() value = tree_map(to_tensor, value, np.ndarray) batch = tree_map(to_tensor, batch, np.ndarray) out_repro = lddt_loss( logits=value["predicted_lddt"]["logits"], all_atom_pred_pos=value["structure_module"]["final_atom_positions"], **{**batch, **c_plddt}, ) out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_backbone_loss_compare(self): config = compare_utils.get_alphafold_config() c_sm = config.model.heads.structure_module def run_bb_loss(batch, value): ret = { "loss": np.array(0.0), } alphafold.model.folding.backbone_loss(ret, batch, value, c_sm) return ret["loss"] f = hk.transform(run_bb_loss) n_res = consts.n_res batch = { "backbone_affine_tensor": random_affines_vector((n_res,)), "backbone_affine_mask": np.random.randint(0, 2, (n_res,)).astype( np.float32 ), "use_clamped_fape": np.array(0.0), } value = { "traj": random_affines_vector( ( c_sm.num_layer, n_res, ) ), } out_gt = f.apply({}, None, batch, value) out_gt = torch.tensor(np.array(out_gt.block_until_ready())) to_tensor = lambda t: torch.tensor(t).cuda() batch = tree_map(to_tensor, batch, np.ndarray) value = tree_map(to_tensor, value, np.ndarray) batch["backbone_rigid_tensor"] = affine_vector_to_4x4( batch["backbone_affine_tensor"] ) batch["backbone_rigid_mask"] = batch["backbone_affine_mask"] out_repro = backbone_loss(traj=value["traj"], **{**batch, **c_sm}) out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_sidechain_loss_compare(self): config = compare_utils.get_alphafold_config() c_sm = config.model.heads.structure_module def run_sidechain_loss(batch, value, atom14_pred_positions): batch = { **batch, **alphafold.model.all_atom.atom37_to_frames( batch["aatype"], batch["all_atom_positions"], batch["all_atom_mask"], ), } v = {} v["sidechains"] = {} v["sidechains"][ "frames" ] = alphafold.model.r3.rigids_from_tensor4x4( value["sidechains"]["frames"] ) v["sidechains"]["atom_pos"] = alphafold.model.r3.vecs_from_tensor( value["sidechains"]["atom_pos"] ) v.update( alphafold.model.folding.compute_renamed_ground_truth( batch, atom14_pred_positions, ) ) value = v ret = alphafold.model.folding.sidechain_loss(batch, value, c_sm) return ret["loss"] f = hk.transform(run_sidechain_loss) n_res = consts.n_res batch = { "seq_mask": np.random.randint(0, 2, (n_res,)).astype(np.float32), "aatype": np.random.randint(0, 20, (n_res,)), "atom14_gt_positions": np.random.rand(n_res, 14, 3).astype( np.float32 ), "atom14_gt_exists": np.random.randint(0, 2, (n_res, 14)).astype( np.float32 ), "all_atom_positions": np.random.rand(n_res, 37, 3).astype( np.float32 ), "all_atom_mask": np.random.randint(0, 2, (n_res, 37)).astype( np.float32 ), } def _build_extra_feats_np(): b = tree_map(lambda n: torch.tensor(n), batch, np.ndarray) b = data_transforms.make_atom14_masks(b) b = data_transforms.make_atom14_positions(b) return tensor_tree_map(lambda t: np.array(t), b) batch = _build_extra_feats_np() value = { "sidechains": { "frames": random_affines_4x4((c_sm.num_layer, n_res, 8)), "atom_pos": np.random.rand(c_sm.num_layer, n_res, 14, 3).astype( np.float32 ), } } atom14_pred_pos = np.random.rand(n_res, 14, 3).astype(np.float32) out_gt = f.apply({}, None, batch, value, atom14_pred_pos) out_gt = torch.tensor(np.array(out_gt.block_until_ready())) to_tensor = lambda t: torch.tensor(t).cuda() batch = tree_map(to_tensor, batch, np.ndarray) value = tree_map(to_tensor, value, np.ndarray) atom14_pred_pos = to_tensor(atom14_pred_pos) batch = data_transforms.atom37_to_frames(batch) batch.update(compute_renamed_ground_truth(batch, atom14_pred_pos)) out_repro = sidechain_loss( sidechain_frames=value["sidechains"]["frames"], sidechain_atom_pos=value["sidechains"]["atom_pos"], **{**batch, **c_sm}, ) out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_tm_loss_compare(self): config = compare_utils.get_alphafold_config() c_tm = config.model.heads.predicted_aligned_error def run_tm_loss(representations, batch, value): head = alphafold.model.modules.PredictedAlignedErrorHead( c_tm, config.model.global_config ) v = {} v.update(value) v["predicted_aligned_error"] = head(representations, batch, False) return head.loss(v, batch)["loss"] f = hk.transform(run_tm_loss) np.random.seed(42) n_res = consts.n_res representations = { "pair": np.random.rand(n_res, n_res, consts.c_z).astype(np.float32), } batch = { "backbone_affine_tensor": random_affines_vector((n_res,)), "backbone_affine_mask": np.random.randint(0, 2, (n_res,)).astype( np.float32 ), "resolution": np.array(1.0).astype(np.float32), } value = { "structure_module": { "final_affines": random_affines_vector((n_res,)), } } params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/predicted_aligned_error_head" ) out_gt = f.apply(params, None, representations, batch, value) out_gt = torch.tensor(np.array(out_gt.block_until_ready())) to_tensor = lambda n: torch.tensor(n).cuda() representations = tree_map(to_tensor, representations, np.ndarray) batch = tree_map(to_tensor, batch, np.ndarray) value = tree_map(to_tensor, value, np.ndarray) batch["backbone_rigid_tensor"] = affine_vector_to_4x4( batch["backbone_affine_tensor"] ) batch["backbone_rigid_mask"] = batch["backbone_affine_mask"] model = compare_utils.get_global_pretrained_openfold() logits = model.aux_heads.tm(representations["pair"]) out_repro = tm_loss( logits=logits, final_affine_tensor=value["structure_module"]["final_affines"], **{**batch, **c_tm}, ) out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_model.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import pickle import torch import torch.nn as nn import numpy as np import unittest from openfold.config import model_config from openfold.data import data_transforms from openfold.model.model import AlphaFold import openfold.utils.feats as feats from openfold.utils.tensor_utils import tree_map, tensor_tree_map import tests.compare_utils as compare_utils from tests.config import consts from tests.data_utils import ( random_template_feats, random_extra_msa_feats, ) if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestModel(unittest.TestCase): def test_dry_run(self): n_seq = consts.n_seq n_templ = consts.n_templ n_res = consts.n_res n_extra_seq = consts.n_extra c = model_config("model_1") c.model.evoformer_stack.no_blocks = 4 # no need to go overboard here c.model.evoformer_stack.blocks_per_ckpt = None # don't want to set up # deepspeed for this test model = AlphaFold(c).cuda() model.eval() batch = {} tf = torch.randint(c.model.input_embedder.tf_dim - 1, size=(n_res,)).cuda() batch["target_feat"] = nn.functional.one_hot( tf, c.model.input_embedder.tf_dim ).float().cuda() batch["aatype"] = torch.argmax(batch["target_feat"], dim=-1).cuda() batch["residue_index"] = torch.arange(n_res).cuda() batch["msa_feat"] = torch.rand((n_seq, n_res, c.model.input_embedder.msa_dim)).cuda() t_feats = random_template_feats(n_templ, n_res) batch.update({k: torch.tensor(v).cuda() for k, v in t_feats.items()}) extra_feats = random_extra_msa_feats(n_extra_seq, n_res) batch.update({k: torch.tensor(v).cuda() for k, v in extra_feats.items()}) batch["msa_mask"] = torch.randint( low=0, high=2, size=(n_seq, n_res) ).float().cuda() batch["seq_mask"] = torch.randint(low=0, high=2, size=(n_res,)).float().cuda() batch.update(data_transforms.make_atom14_masks(batch)) batch["no_recycling_iters"] = torch.tensor(2.).cuda() add_recycling_dims = lambda t: ( t.unsqueeze(-1).expand(*t.shape, c.data.common.max_recycling_iters) ) batch = tensor_tree_map(add_recycling_dims, batch) with torch.no_grad(): out = model(batch) def test_dry_run_seqemb_mode(self): n_seq = 1 n_templ = consts.n_templ n_res = consts.n_res msa_dim = 49 c = model_config("seq_model_esm1b") c.model.evoformer_stack.no_blocks = 2 c.model.evoformer_stack.blocks_per_ckpt = None model = AlphaFold(c) model.to(torch.device('cuda')) model.eval() batch = {} tf = torch.randint(c.model.preembedding_embedder.tf_dim - 1, size=(n_res,)) batch["target_feat"] = nn.functional.one_hot(tf, c.model.preembedding_embedder.tf_dim).float() batch["aatype"] = torch.argmax(batch["target_feat"], dim=-1) batch["residue_index"] = torch.arange(n_res) batch["msa_feat"] = torch.rand((n_seq, n_res, msa_dim)) batch["seq_embedding"] = torch.rand((n_res, c.model.preembedding_embedder.preembedding_dim)) t_feats = random_template_feats(n_templ, n_res) batch.update({k: torch.tensor(v) for k, v in t_feats.items()}) batch["seq_mask"] = torch.randint(low=0, high=2, size=(n_res,)).float() batch.update(data_transforms.make_atom14_masks(batch)) batch["msa_mask"] = torch.randint(low=0, high=2, size=(n_seq, n_res)).float() batch["no_recycling_iters"] = torch.tensor(2.) add_recycling_dims = lambda t: ( t.unsqueeze(-1).expand(*t.shape, c.data.common.max_recycling_iters) ) batch = tensor_tree_map(add_recycling_dims, batch) to_cuda_device = lambda t: t.to(torch.device("cuda")) batch = tensor_tree_map(to_cuda_device, batch) with torch.no_grad(): out = model(batch) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_alphafold(batch): config = compare_utils.get_alphafold_config() model = alphafold.model.modules.AlphaFold(config.model) return model( batch=batch, is_training=False, return_representations=True, ) f = hk.transform(run_alphafold) params = compare_utils.fetch_alphafold_module_weights("") with open("tests/test_data/sample_feats.pickle", "rb") as fp: batch = pickle.load(fp) out_gt = f.apply(params, jax.random.PRNGKey(42), batch) out_gt = out_gt["structure_module"]["final_atom_positions"] # atom37_to_atom14 doesn't like batches batch["residx_atom14_to_atom37"] = batch["residx_atom14_to_atom37"][0] batch["atom14_atom_exists"] = batch["atom14_atom_exists"][0] out_gt = alphafold.model.all_atom.atom37_to_atom14(out_gt, batch) out_gt = torch.as_tensor(np.array(out_gt.block_until_ready())) batch["no_recycling_iters"] = np.array([3., 3., 3., 3.,]) batch = {k: torch.as_tensor(v).cuda() for k, v in batch.items()} batch["aatype"] = batch["aatype"].long() batch["template_aatype"] = batch["template_aatype"].long() batch["extra_msa"] = batch["extra_msa"].long() batch["residx_atom37_to_atom14"] = batch[ "residx_atom37_to_atom14" ].long() batch["template_all_atom_mask"] = batch["template_all_atom_masks"] batch.update( data_transforms.atom37_to_torsion_angles("template_")(batch) ) # Move the recycling dimension to the end move_dim = lambda t: t.permute(*range(len(t.shape))[1:], 0) batch = tensor_tree_map(move_dim, batch) with torch.no_grad(): model = compare_utils.get_global_pretrained_openfold() out_repro = model(batch) out_repro = tensor_tree_map(lambda t: t.cpu(), out_repro) out_repro = out_repro["sm"]["positions"][-1] out_repro = out_repro.squeeze(0) self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < 1e-3) ================================================ FILE: vendor/openfold/tests/test_msa.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.msa import ( MSARowAttentionWithPairBias, MSAColumnAttention, MSAColumnGlobalAttention, ) from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestMSARowAttentionWithPairBias(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size n_seq = consts.n_seq n_res = consts.n_res c_m = consts.c_m c_z = consts.c_z c = 52 no_heads = 4 chunk_size = None mrapb = MSARowAttentionWithPairBias(c_m, c_z, c, no_heads) m = torch.rand((batch_size, n_seq, n_res, c_m)) z = torch.rand((batch_size, n_res, n_res, c_z)) shape_before = m.shape m = mrapb(m, z=z, chunk_size=chunk_size) shape_after = m.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_msa_row_att(msa_act, msa_mask, pair_act): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer msa_row = alphafold.model.modules.MSARowAttentionWithPairBias( c_e.msa_row_attention_with_pair_bias, config.model.global_config ) act = msa_row(msa_act=msa_act, msa_mask=msa_mask, pair_act=pair_act) return act f = hk.transform(run_msa_row_att) n_res = consts.n_res n_seq = consts.n_seq msa_act = np.random.rand(n_seq, n_res, consts.c_m).astype(np.float32) msa_mask = np.random.randint(low=0, high=2, size=(n_seq, n_res)).astype( np.float32 ) pair_act = np.random.rand(n_res, n_res, consts.c_z).astype(np.float32) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + "msa_row_attention" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply( params, None, msa_act, msa_mask, pair_act ).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.evoformer.blocks[0].msa_att_row( torch.as_tensor(msa_act).cuda(), z=torch.as_tensor(pair_act).cuda(), chunk_size=4, mask=torch.as_tensor(msa_mask).cuda(), ) ).cpu() self.assertTrue(torch.mean(torch.abs(out_gt - out_repro)) < consts.eps) class TestMSAColumnAttention(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size n_seq = consts.n_seq n_res = consts.n_res c_m = consts.c_m c = 44 no_heads = 4 msaca = MSAColumnAttention(c_m, c, no_heads) x = torch.rand((batch_size, n_seq, n_res, c_m)) shape_before = x.shape x = msaca(x, chunk_size=None) shape_after = x.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_msa_col_att(msa_act, msa_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer msa_col = alphafold.model.modules.MSAColumnAttention( c_e.msa_column_attention, config.model.global_config ) act = msa_col(msa_act=msa_act, msa_mask=msa_mask) return act f = hk.transform(run_msa_col_att) n_res = consts.n_res n_seq = consts.n_seq msa_act = np.random.rand(n_seq, n_res, consts.c_m).astype(np.float32) msa_mask = np.random.randint(low=0, high=2, size=(n_seq, n_res)).astype( np.float32 ) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + "msa_column_attention" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, msa_act, msa_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.evoformer.blocks[0].msa_att_col( torch.as_tensor(msa_act).cuda(), chunk_size=4, mask=torch.as_tensor(msa_mask).cuda(), ) ).cpu() self.assertTrue(torch.mean(torch.abs(out_gt - out_repro)) < consts.eps) class TestMSAColumnGlobalAttention(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size n_seq = consts.n_seq n_res = consts.n_res c_m = consts.c_m c = 44 no_heads = 4 msagca = MSAColumnGlobalAttention(c_m, c, no_heads) x = torch.rand((batch_size, n_seq, n_res, c_m)) shape_before = x.shape x = msagca(x, chunk_size=None) shape_after = x.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_msa_col_global_att(msa_act, msa_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer msa_col = alphafold.model.modules.MSAColumnGlobalAttention( c_e.msa_column_attention, config.model.global_config, name="msa_column_global_attention", ) act = msa_col(msa_act=msa_act, msa_mask=msa_mask) return act f = hk.transform(run_msa_col_global_att) n_res = consts.n_res n_seq = consts.n_seq c_e = consts.c_e msa_act = np.random.rand(n_seq, n_res, c_e) msa_mask = np.random.randint(low=0, high=2, size=(n_seq, n_res)) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/extra_msa_stack/" + "msa_column_global_attention" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, msa_act, msa_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt.block_until_ready())) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.extra_msa_stack.blocks[0].msa_att_col( torch.as_tensor(msa_act, dtype=torch.float32).cuda(), chunk_size=4, mask=torch.as_tensor(msa_mask, dtype=torch.float32).cuda(), ) .cpu() ) self.assertTrue(torch.max(torch.abs(out_gt - out_repro) < consts.eps)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_outer_product_mean.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.outer_product_mean import OuterProductMean from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestOuterProductMean(unittest.TestCase): def test_shape(self): c = 31 opm = OuterProductMean(consts.c_m, consts.c_z, c) m = torch.rand( (consts.batch_size, consts.n_seq, consts.n_res, consts.c_m) ) mask = torch.randint( 0, 2, size=(consts.batch_size, consts.n_seq, consts.n_res) ) m = opm(m, mask=mask, chunk_size=None) self.assertTrue( m.shape == (consts.batch_size, consts.n_res, consts.n_res, consts.c_z) ) @compare_utils.skip_unless_alphafold_installed() def test_opm_compare(self): def run_opm(msa_act, msa_mask): config = compare_utils.get_alphafold_config() c_evo = config.model.embeddings_and_evoformer.evoformer opm = alphafold.model.modules.OuterProductMean( c_evo.outer_product_mean, config.model.global_config, consts.c_z, ) act = opm(act=msa_act, mask=msa_mask) return act f = hk.transform(run_opm) n_res = consts.n_res n_seq = consts.n_seq c_m = consts.c_m msa_act = np.random.rand(n_seq, n_res, c_m).astype(np.float32) * 100 msa_mask = np.random.randint(low=0, high=2, size=(n_seq, n_res)).astype( np.float32 ) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/" + "evoformer_iteration/outer_product_mean" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, msa_act, msa_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.evoformer.blocks[0].core .outer_product_mean( torch.as_tensor(msa_act).cuda(), chunk_size=4, mask=torch.as_tensor(msa_mask).cuda(), ) .cpu() ) # Even when correct, OPM has large, precision-related errors. It gets # a special pass from consts.eps. self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < 5e-4) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_pair_transition.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.pair_transition import PairTransition from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestPairTransition(unittest.TestCase): def test_shape(self): c_z = consts.c_z n = 4 pt = PairTransition(c_z, n) batch_size = consts.batch_size n_res = consts.n_res z = torch.rand((batch_size, n_res, n_res, c_z)) mask = torch.randint(0, 2, size=(batch_size, n_res, n_res)) shape_before = z.shape z = pt(z, mask=mask, chunk_size=None) shape_after = z.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_pair_transition(pair_act, pair_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer pt = alphafold.model.modules.Transition( c_e.pair_transition, config.model.global_config, name="pair_transition", ) act = pt(act=pair_act, mask=pair_mask) return act f = hk.transform(run_pair_transition) n_res = consts.n_res pair_act = np.random.rand(n_res, n_res, consts.c_z).astype(np.float32) pair_mask = np.ones((n_res, n_res)).astype(np.float32) # no mask # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + "pair_transition" ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, pair_act, pair_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt.block_until_ready())) model = compare_utils.get_global_pretrained_openfold() out_repro = ( model.evoformer.blocks[0].core .pair_transition( torch.as_tensor(pair_act, dtype=torch.float32).cuda(), chunk_size=4, mask=torch.as_tensor(pair_mask, dtype=torch.float32).cuda(), ) .cpu() ) self.assertTrue(torch.max(torch.abs(out_gt - out_repro) < consts.eps)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_primitives.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.primitives import ( Attention, ) from tests.config import consts class TestLMA(unittest.TestCase): def test_lma_vs_attention(self): batch_size = consts.batch_size c_hidden = 32 n = 2**12 no_heads = 4 q = torch.rand(batch_size, n, c_hidden).cuda() kv = torch.rand(batch_size, n, c_hidden).cuda() bias = [torch.rand(no_heads, 1, n)] bias = [b.cuda() for b in bias] gating_fill = torch.rand(c_hidden * no_heads, c_hidden) o_fill = torch.rand(c_hidden, c_hidden * no_heads) a = Attention( c_hidden, c_hidden, c_hidden, c_hidden, no_heads ).cuda() with torch.no_grad(): l = a(q, kv, biases=bias, use_lma=True) real = a(q, kv, biases=bias) self.assertTrue(torch.max(torch.abs(l - real)) < consts.eps) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_structure_module.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.data.data_transforms import make_atom14_masks_np from openfold.np.residue_constants import ( restype_rigid_group_default_frame, restype_atom14_to_rigid_group, restype_atom14_mask, restype_atom14_rigid_group_positions, restype_atom37_mask, ) from openfold.model.structure_module import ( StructureModule, StructureModuleTransition, BackboneUpdate, AngleResnet, InvariantPointAttention, ) import openfold.utils.feats as feats from openfold.utils.rigid_utils import Rotation, Rigid import tests.compare_utils as compare_utils from tests.config import consts from tests.data_utils import ( random_affines_4x4, ) if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestStructureModule(unittest.TestCase): def test_structure_module_shape(self): batch_size = consts.batch_size n = consts.n_res c_s = consts.c_s c_z = consts.c_z c_ipa = 13 c_resnet = 17 no_heads_ipa = 6 no_query_points = 4 no_value_points = 4 dropout_rate = 0.1 no_layers = 3 no_transition_layers = 3 no_resnet_layers = 3 ar_epsilon = 1e-6 no_angles = 7 trans_scale_factor = 10 inf = 1e5 sm = StructureModule( c_s, c_z, c_ipa, c_resnet, no_heads_ipa, no_query_points, no_value_points, dropout_rate, no_layers, no_transition_layers, no_resnet_layers, no_angles, trans_scale_factor, ar_epsilon, inf, ) s = torch.rand((batch_size, n, c_s)) z = torch.rand((batch_size, n, n, c_z)) f = torch.randint(low=0, high=21, size=(batch_size, n)).long() out = sm({"single": s, "pair": z}, f) self.assertTrue(out["frames"].shape == (no_layers, batch_size, n, 7)) self.assertTrue( out["angles"].shape == (no_layers, batch_size, n, no_angles, 2) ) self.assertTrue( out["positions"].shape == (no_layers, batch_size, n, 14, 3) ) def test_structure_module_transition_shape(self): batch_size = 2 n = 5 c = 7 num_layers = 3 dropout = 0.1 smt = StructureModuleTransition(c, num_layers, dropout) s = torch.rand((batch_size, n, c)) shape_before = s.shape s = smt(s) shape_after = s.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_structure_module_compare(self): config = compare_utils.get_alphafold_config() c_sm = config.model.heads.structure_module c_global = config.model.global_config def run_sm(representations, batch): sm = alphafold.model.folding.StructureModule(c_sm, c_global) representations = { k: jax.lax.stop_gradient(v) for k, v in representations.items() } batch = {k: jax.lax.stop_gradient(v) for k, v in batch.items()} return sm(representations, batch, is_training=False) f = hk.transform(run_sm) n_res = 200 representations = { "single": np.random.rand(n_res, consts.c_s).astype(np.float32), "pair": np.random.rand(n_res, n_res, consts.c_z).astype(np.float32), } batch = { "seq_mask": np.random.randint(0, 2, (n_res,)).astype(np.float32), "aatype": np.random.randint(0, 21, (n_res,)), } batch["atom14_atom_exists"] = np.take( restype_atom14_mask, batch["aatype"], axis=0 ) batch["atom37_atom_exists"] = np.take( restype_atom37_mask, batch["aatype"], axis=0 ) batch.update(make_atom14_masks_np(batch)) params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/structure_module" ) key = jax.random.PRNGKey(42) out_gt = f.apply(params, key, representations, batch) out_gt = torch.as_tensor( np.array(out_gt["final_atom14_positions"].block_until_ready()) ) model = compare_utils.get_global_pretrained_openfold() out_repro = model.structure_module( { "single": torch.as_tensor(representations["single"]).cuda(), "pair": torch.as_tensor(representations["pair"]).cuda(), }, torch.as_tensor(batch["aatype"]).cuda(), mask=torch.as_tensor(batch["seq_mask"]).cuda(), inplace_safe=False, ) out_repro = out_repro["positions"][-1].cpu() # The structure module, thanks to angle normalization, is very volatile # We only assess the mean here. Heuristically speaking, it seems to # have lower error in general on real rather than synthetic data. self.assertTrue(torch.mean(torch.abs(out_gt - out_repro)) < 0.05) class TestInvariantPointAttention(unittest.TestCase): def test_shape(self): c_m = 13 c_z = 17 c_hidden = 19 no_heads = 5 no_qp = 7 no_vp = 11 batch_size = 2 n_res = 23 s = torch.rand((batch_size, n_res, c_m)) z = torch.rand((batch_size, n_res, n_res, c_z)) mask = torch.ones((batch_size, n_res)) rot_mats = torch.rand((batch_size, n_res, 3, 3)) rots = Rotation(rot_mats=rot_mats, quats=None) trans = torch.rand((batch_size, n_res, 3)) r = Rigid(rots, trans) ipa = InvariantPointAttention( c_m, c_z, c_hidden, no_heads, no_qp, no_vp ) shape_before = s.shape s = ipa(s, z, r, mask) self.assertTrue(s.shape == shape_before) @compare_utils.skip_unless_alphafold_installed() def test_ipa_compare(self): def run_ipa(act, static_feat_2d, mask, affine): config = compare_utils.get_alphafold_config() ipa = alphafold.model.folding.InvariantPointAttention( config.model.heads.structure_module, config.model.global_config, ) attn = ipa( inputs_1d=act, inputs_2d=static_feat_2d, mask=mask, affine=affine, ) return attn f = hk.transform(run_ipa) n_res = consts.n_res c_s = consts.c_s c_z = consts.c_z sample_act = np.random.rand(n_res, c_s) sample_2d = np.random.rand(n_res, n_res, c_z) sample_mask = np.ones((n_res, 1)) affines = random_affines_4x4((n_res,)) rigids = alphafold.model.r3.rigids_from_tensor4x4(affines) quats = alphafold.model.r3.rigids_to_quataffine(rigids) transformations = Rigid.from_tensor_4x4( torch.as_tensor(affines).float().cuda() ) sample_affine = quats ipa_params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/structure_module/" + "fold_iteration/invariant_point_attention" ) out_gt = f.apply( ipa_params, None, sample_act, sample_2d, sample_mask, sample_affine ).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) with torch.no_grad(): model = compare_utils.get_global_pretrained_openfold() out_repro = model.structure_module.ipa( torch.as_tensor(sample_act).float().cuda(), torch.as_tensor(sample_2d).float().cuda(), transformations, torch.as_tensor(sample_mask.squeeze(-1)).float().cuda(), ).cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) class TestAngleResnet(unittest.TestCase): def test_shape(self): batch_size = 2 n = 3 c_s = 13 c_hidden = 11 no_layers = 5 no_angles = 7 epsilon = 1e-12 ar = AngleResnet(c_s, c_hidden, no_layers, no_angles, epsilon) a = torch.rand((batch_size, n, c_s)) a_initial = torch.rand((batch_size, n, c_s)) _, a = ar(a, a_initial) self.assertTrue(a.shape == (batch_size, n, no_angles, 2)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_template.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.template import ( TemplatePointwiseAttention, TemplatePairStack, ) from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts from tests.data_utils import random_template_feats if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestTemplatePointwiseAttention(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size n_seq = consts.n_seq c_t = consts.c_t c_z = consts.c_z c = 26 no_heads = 13 n_res = consts.n_res inf = 1e7 tpa = TemplatePointwiseAttention( c_t, c_z, c, no_heads, inf=inf ) t = torch.rand((batch_size, n_seq, n_res, n_res, c_t)) z = torch.rand((batch_size, n_res, n_res, c_z)) z_update = tpa(t, z, chunk_size=None) self.assertTrue(z_update.shape == z.shape) class TestTemplatePairStack(unittest.TestCase): def test_shape(self): batch_size = consts.batch_size c_t = consts.c_t c_hidden_tri_att = 7 c_hidden_tri_mul = 7 no_blocks = 2 no_heads = 4 pt_inner_dim = 15 dropout = 0.25 n_templ = consts.n_templ n_res = consts.n_res blocks_per_ckpt = None chunk_size = 4 inf = 1e7 eps = 1e-7 tpe = TemplatePairStack( c_t, c_hidden_tri_att=c_hidden_tri_att, c_hidden_tri_mul=c_hidden_tri_mul, no_blocks=no_blocks, no_heads=no_heads, pair_transition_n=pt_inner_dim, dropout_rate=dropout, blocks_per_ckpt=None, inf=inf, eps=eps, ) t = torch.rand((batch_size, n_templ, n_res, n_res, c_t)) mask = torch.randint(0, 2, (batch_size, n_templ, n_res, n_res)) shape_before = t.shape t = tpe(t, mask, chunk_size=chunk_size) shape_after = t.shape self.assertTrue(shape_before == shape_after) @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def run_template_pair_stack(pair_act, pair_mask): config = compare_utils.get_alphafold_config() c_ee = config.model.embeddings_and_evoformer tps = alphafold.model.modules.TemplatePairStack( c_ee.template.template_pair_stack, config.model.global_config, name="template_pair_stack", ) act = tps(pair_act, pair_mask, is_training=False) ln = hk.LayerNorm([-1], True, True, name="output_layer_norm") act = ln(act) return act f = hk.transform(run_template_pair_stack) n_res = consts.n_res pair_act = np.random.rand(n_res, n_res, consts.c_t).astype(np.float32) pair_mask = np.random.randint( low=0, high=2, size=(n_res, n_res) ).astype(np.float32) params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/template_embedding/" + "single_template_embedding/template_pair_stack" ) params.update( compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/template_embedding/" + "single_template_embedding/output_layer_norm" ) ) out_gt = f.apply( params, jax.random.PRNGKey(42), pair_act, pair_mask ).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() out_repro = model.template_pair_stack( torch.as_tensor(pair_act).unsqueeze(-4).cuda(), torch.as_tensor(pair_mask).unsqueeze(-3).cuda(), chunk_size=None, _mask_trans=False, ).cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro)) < consts.eps) class Template(unittest.TestCase): @compare_utils.skip_unless_alphafold_installed() def test_compare(self): def test_template_embedding(pair, batch, mask_2d): config = compare_utils.get_alphafold_config() te = alphafold.model.modules.TemplateEmbedding( config.model.embeddings_and_evoformer.template, config.model.global_config, ) act = te(pair, batch, mask_2d, is_training=False) return act f = hk.transform(test_template_embedding) n_res = consts.n_res n_templ = consts.n_templ pair_act = np.random.rand(n_res, n_res, consts.c_z).astype(np.float32) batch = random_template_feats(n_templ, n_res) batch["template_all_atom_masks"] = batch["template_all_atom_mask"] pair_mask = np.random.randint(0, 2, (n_res, n_res)).astype(np.float32) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/template_embedding" ) out_gt = f.apply( params, jax.random.PRNGKey(42), pair_act, batch, pair_mask ).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) inds = np.random.randint(0, 21, (n_res,)) batch["target_feat"] = np.eye(22)[inds] model = compare_utils.get_global_pretrained_openfold() out_repro = model.embed_templates( {k: torch.as_tensor(v).cuda() for k, v in batch.items()}, torch.as_tensor(pair_act).cuda(), torch.as_tensor(pair_mask).cuda(), templ_dim=0, inplace_safe=False ) out_repro = out_repro["template_pair_embedding"] out_repro = out_repro.cpu() self.assertTrue(torch.max(torch.abs(out_gt - out_repro) < consts.eps)) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_triangular_attention.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import copy import torch import numpy as np import unittest from openfold.model.triangular_attention import TriangleAttention from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestTriangularAttention(unittest.TestCase): def test_shape(self): c_z = consts.c_z c = 12 no_heads = 4 starting = True tan = TriangleAttention(c_z, c, no_heads, starting) batch_size = consts.batch_size n_res = consts.n_res x = torch.rand((batch_size, n_res, n_res, c_z)) shape_before = x.shape x = tan(x, chunk_size=None) shape_after = x.shape self.assertTrue(shape_before == shape_after) def _tri_att_compare(self, starting=False): name = ( "triangle_attention_" + ("starting" if starting else "ending") + "_node" ) def run_tri_att(pair_act, pair_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer tri_att = alphafold.model.modules.TriangleAttention( c_e.triangle_attention_starting_node if starting else c_e.triangle_attention_ending_node, config.model.global_config, name=name, ) act = tri_att(pair_act=pair_act, pair_mask=pair_mask) return act f = hk.transform(run_tri_att) n_res = consts.n_res pair_act = np.random.rand(n_res, n_res, consts.c_z) * 100 pair_mask = np.random.randint(low=0, high=2, size=(n_res, n_res)) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + name ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, pair_act, pair_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() module = ( model.evoformer.blocks[0].core.tri_att_start if starting else model.evoformer.blocks[0].core.tri_att_end ) # To save memory, the full model transposes inputs outside of the # triangle attention module. We adjust the module here. module = copy.deepcopy(module) module.starting = starting out_repro = module( torch.as_tensor(pair_act, dtype=torch.float32).cuda(), mask=torch.as_tensor(pair_mask, dtype=torch.float32).cuda(), chunk_size=None, ).cpu() self.assertTrue(torch.mean(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_tri_att_end_compare(self): self._tri_att_compare() @compare_utils.skip_unless_alphafold_installed() def test_tri_att_start_compare(self): self._tri_att_compare(starting=True) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_triangular_multiplicative_update.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import torch import numpy as np import unittest from openfold.model.triangular_multiplicative_update import * from openfold.utils.tensor_utils import tree_map import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk class TestTriangularMultiplicativeUpdate(unittest.TestCase): def test_shape(self): c_z = consts.c_z c = 11 tm = TriangleMultiplicationOutgoing( c_z, c, ) n_res = consts.c_z batch_size = consts.batch_size x = torch.rand((batch_size, n_res, n_res, c_z)) mask = torch.randint(0, 2, size=(batch_size, n_res, n_res)) shape_before = x.shape x = tm(x, mask) shape_after = x.shape self.assertTrue(shape_before == shape_after) def _tri_mul_compare(self, incoming=False): name = "triangle_multiplication_" + ( "incoming" if incoming else "outgoing" ) def run_tri_mul(pair_act, pair_mask): config = compare_utils.get_alphafold_config() c_e = config.model.embeddings_and_evoformer.evoformer tri_mul = alphafold.model.modules.TriangleMultiplication( c_e.triangle_multiplication_incoming if incoming else c_e.triangle_multiplication_outgoing, config.model.global_config, name=name, ) act = tri_mul(act=pair_act, mask=pair_mask) return act f = hk.transform(run_tri_mul) n_res = consts.n_res pair_act = np.random.rand(n_res, n_res, consts.c_z).astype(np.float32) pair_mask = np.random.randint(low=0, high=2, size=(n_res, n_res)) pair_mask = pair_mask.astype(np.float32) # Fetch pretrained parameters (but only from one block)] params = compare_utils.fetch_alphafold_module_weights( "alphafold/alphafold_iteration/evoformer/evoformer_iteration/" + name ) params = tree_map(lambda n: n[0], params, jax.numpy.DeviceArray) out_gt = f.apply(params, None, pair_act, pair_mask).block_until_ready() out_gt = torch.as_tensor(np.array(out_gt)) model = compare_utils.get_global_pretrained_openfold() module = ( model.evoformer.blocks[0].core.tri_mul_in if incoming else model.evoformer.blocks[0].core.tri_mul_out ) out_repro = module( torch.as_tensor(pair_act, dtype=torch.float32).cuda(), mask=torch.as_tensor(pair_mask, dtype=torch.float32).cuda(), inplace_safe=True, _inplace_chunk_size=4, ).cpu() self.assertTrue(torch.mean(torch.abs(out_gt - out_repro)) < consts.eps) @compare_utils.skip_unless_alphafold_installed() def test_tri_mul_out_compare(self): self._tri_mul_compare() @compare_utils.skip_unless_alphafold_installed() def test_tri_mul_in_compare(self): self._tri_mul_compare(incoming=True) def _tri_mul_inplace(self, incoming=False): n_res = consts.n_res pair_act = np.random.rand(n_res, n_res, consts.c_z).astype(np.float32) pair_mask = np.random.randint(low=0, high=2, size=(n_res, n_res)) pair_mask = pair_mask.astype(np.float32) model = compare_utils.get_global_pretrained_openfold() module = ( model.evoformer.blocks[0].core.tri_mul_in if incoming else model.evoformer.blocks[0].core.tri_mul_out ) out_stock = module( torch.as_tensor(pair_act, dtype=torch.float32).cuda(), mask=torch.as_tensor(pair_mask, dtype=torch.float32).cuda(), inplace_safe=False, ).cpu() # This has to come second because inference mode is in-place out_inplace = module( torch.as_tensor(pair_act, dtype=torch.float32).cuda(), mask=torch.as_tensor(pair_mask, dtype=torch.float32).cuda(), inplace_safe=True, _inplace_chunk_size=2, ).cpu() self.assertTrue(torch.mean(torch.abs(out_stock - out_inplace)) < consts.eps) def test_tri_mul_out_inference(self): self._tri_mul_inplace() def test_tri_mul_in_inference(self): self._tri_mul_inplace(incoming=True) if __name__ == "__main__": unittest.main() ================================================ FILE: vendor/openfold/tests/test_utils.py ================================================ # Copyright 2021 AlQuraishi Laboratory # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import math import numpy as np import torch import unittest from openfold.utils.rigid_utils import ( Rotation, Rigid, quat_to_rot, rot_to_quat, ) from openfold.utils.chunk_utils import chunk_layer, _chunk_slice import tests.compare_utils as compare_utils from tests.config import consts if compare_utils.alphafold_is_installed(): alphafold = compare_utils.import_alphafold() import jax import haiku as hk X_90_ROT = torch.tensor( [ [1, 0, 0], [0, 0, -1], [0, 1, 0], ] ) X_NEG_90_ROT = torch.tensor( [ [1, 0, 0], [0, 0, 1], [0, -1, 0], ] ) class TestUtils(unittest.TestCase): def test_rigid_from_3_points_shape(self): batch_size = 2 n_res = 5 x1 = torch.rand((batch_size, n_res, 3)) x2 = torch.rand((batch_size, n_res, 3)) x3 = torch.rand((batch_size, n_res, 3)) r = Rigid.from_3_points(x1, x2, x3) rot, tra = r.get_rots().get_rot_mats(), r.get_trans() self.assertTrue(rot.shape == (batch_size, n_res, 3, 3)) self.assertTrue(torch.all(tra == x2)) def test_rigid_from_4x4(self): batch_size = 2 transf = [ [1, 0, 0, 1], [0, 0, -1, 2], [0, 1, 0, 3], [0, 0, 0, 1], ] transf = torch.tensor(transf) true_rot = transf[:3, :3] true_trans = transf[:3, 3] transf = torch.stack([transf for _ in range(batch_size)], dim=0) r = Rigid.from_tensor_4x4(transf) rot, tra = r.get_rots().get_rot_mats(), r.get_trans() self.assertTrue(torch.all(rot == true_rot.unsqueeze(0))) self.assertTrue(torch.all(tra == true_trans.unsqueeze(0))) def test_rigid_shape(self): batch_size = 2 n = 5 transf = Rigid( Rotation(rot_mats=torch.rand((batch_size, n, 3, 3))), torch.rand((batch_size, n, 3)) ) self.assertTrue(transf.shape == (batch_size, n)) def test_rigid_cat(self): batch_size = 2 n = 5 transf = Rigid( Rotation(rot_mats=torch.rand((batch_size, n, 3, 3))), torch.rand((batch_size, n, 3)) ) transf_cat = Rigid.cat([transf, transf], dim=0) transf_rots = transf.get_rots().get_rot_mats() transf_cat_rots = transf_cat.get_rots().get_rot_mats() self.assertTrue(transf_cat_rots.shape == (batch_size * 2, n, 3, 3)) transf_cat = Rigid.cat([transf, transf], dim=1) transf_cat_rots = transf_cat.get_rots().get_rot_mats() self.assertTrue(transf_cat_rots.shape == (batch_size, n * 2, 3, 3)) self.assertTrue(torch.all(transf_cat_rots[:, :n] == transf_rots)) self.assertTrue( torch.all(transf_cat.get_trans()[:, :n] == transf.get_trans()) ) def test_rigid_compose(self): trans_1 = [0, 1, 0] trans_2 = [0, 0, 1] r = Rotation(rot_mats=X_90_ROT) t = torch.tensor(trans_1) t1 = Rigid( Rotation(rot_mats=X_90_ROT), torch.tensor(trans_1) ) t2 = Rigid( Rotation(rot_mats=X_NEG_90_ROT), torch.tensor(trans_2) ) t3 = t1.compose(t2) self.assertTrue( torch.all(t3.get_rots().get_rot_mats() == torch.eye(3)) ) self.assertTrue( torch.all(t3.get_trans() == 0) ) def test_rigid_apply(self): rots = torch.stack([X_90_ROT, X_NEG_90_ROT], dim=0) trans = torch.tensor([1, 1, 1]) trans = torch.stack([trans, trans], dim=0) t = Rigid(Rotation(rot_mats=rots), trans) x = torch.arange(30) x = torch.stack([x, x], dim=0) x = x.view(2, -1, 3) # [2, 10, 3] pts = t[..., None].apply(x) # All simple consequences of the two x-axis rotations self.assertTrue(torch.all(pts[..., 0] == x[..., 0] + 1)) self.assertTrue(torch.all(pts[0, :, 1] == x[0, :, 2] * -1 + 1)) self.assertTrue(torch.all(pts[1, :, 1] == x[1, :, 2] + 1)) self.assertTrue(torch.all(pts[0, :, 2] == x[0, :, 1] + 1)) self.assertTrue(torch.all(pts[1, :, 2] == x[1, :, 1] * -1 + 1)) def test_quat_to_rot(self): forty_five = math.pi / 4 quat = torch.tensor([math.cos(forty_five), math.sin(forty_five), 0, 0]) rot = quat_to_rot(quat) eps = 1e-07 self.assertTrue(torch.all(torch.abs(rot - X_90_ROT) < eps)) def test_rot_to_quat(self): quat = rot_to_quat(X_90_ROT) eps = 1e-07 ans = torch.tensor([math.sqrt(0.5), math.sqrt(0.5), 0., 0.]) self.assertTrue(torch.all(torch.abs(quat - ans) < eps)) def test_chunk_layer_tensor(self): x = torch.rand(2, 4, 5, 15) l = torch.nn.Linear(15, 30) chunked = chunk_layer(l, {"input": x}, chunk_size=4, no_batch_dims=3) unchunked = l(x) self.assertTrue(torch.all(chunked == unchunked)) def test_chunk_layer_dict(self): class LinearDictLayer(torch.nn.Linear): def forward(self, input): out = super().forward(input) return {"out": out, "inner": {"out": out + 1}} x = torch.rand(2, 4, 5, 15) l = LinearDictLayer(15, 30) chunked = chunk_layer(l, {"input": x}, chunk_size=4, no_batch_dims=3) unchunked = l(x) self.assertTrue(torch.all(chunked["out"] == unchunked["out"])) self.assertTrue( torch.all(chunked["inner"]["out"] == unchunked["inner"]["out"]) ) def test_chunk_slice_dict(self): x = torch.rand(3, 4, 3, 5) x_flat = x.view(-1, 5) prod = 1 for d in x.shape[:-1]: prod = prod * d for i in range(prod): for j in range(i + 1, prod + 1): chunked = _chunk_slice(x, i, j, len(x.shape[:-1])) chunked_flattened = x_flat[i:j] self.assertTrue(torch.all(chunked == chunked_flattened)) @compare_utils.skip_unless_alphafold_installed() def test_pre_compose_compare(self): quat = np.random.rand(20, 4) trans = [np.random.rand(20) for _ in range(3)] quat_affine = alphafold.model.quat_affine.QuatAffine( quat, translation=trans ) update_vec = np.random.rand(20, 6) new_gt = quat_affine.pre_compose(update_vec) quat_t = torch.tensor(quat) trans_t = torch.stack([torch.tensor(t) for t in trans], dim=-1) rigid = Rigid(Rotation(quats=quat_t), trans_t) new_repro = rigid.compose_q_update_vec(torch.tensor(update_vec)) new_gt_q = torch.tensor(np.array(new_gt.quaternion)) new_gt_t = torch.stack( [torch.tensor(np.array(t)) for t in new_gt.translation], dim=-1 ) new_repro_q = new_repro.get_rots().get_quats() new_repro_t = new_repro.get_trans() self.assertTrue( torch.max(torch.abs(new_gt_q - new_repro_q)) < consts.eps ) self.assertTrue( torch.max(torch.abs(new_gt_t - new_repro_t)) < consts.eps ) ================================================ FILE: vendor/openfold/thread_sequence.py ================================================ import argparse import os import logging import random import numpy import torch from openfold.config import model_config from openfold.data import feature_pipeline from openfold.data.data_pipeline import make_sequence_features_with_custom_template from openfold.np import protein from openfold.utils.script_utils import load_models_from_command_line, parse_fasta, run_model, prep_output, \ relax_protein from openfold.utils.tensor_utils import ( tensor_tree_map, ) from scripts.utils import add_data_args logging.basicConfig() logger = logging.getLogger(__file__) logger.setLevel(level=logging.INFO) torch_versions = torch.__version__.split(".") torch_major_version = int(torch_versions[0]) torch_minor_version = int(torch_versions[1]) if( torch_major_version > 1 or (torch_major_version == 1 and torch_minor_version >= 12) ): # Gives a large speedup on Ampere-class GPUs torch.set_float32_matmul_precision("high") torch.set_grad_enabled(False) def main(args): os.makedirs(args.output_dir, exist_ok=True) config = model_config(args.config_preset) random_seed = args.data_random_seed if random_seed is None: random_seed = random.randrange(2**32) numpy.random.seed(random_seed) torch.manual_seed(random_seed + 1) feature_processor = feature_pipeline.FeaturePipeline(config.data) with open(args.input_fasta) as fasta_file: tags, sequences = parse_fasta(fasta_file.read()) if len(sequences) != 1: raise ValueError("the threading script can only process a single sequence") query_sequence = sequences[0] query_tag = tags[0] feature_dict = make_sequence_features_with_custom_template( query_sequence, args.input_mmcif, args.template_id, args.chain_id, args.kalign_binary_path) processed_feature_dict = feature_processor.process_features( feature_dict, mode='predict', ) processed_feature_dict = { k: torch.as_tensor(v, device=args.model_device) for k, v in processed_feature_dict.items() } model_generator = load_models_from_command_line( config, args.model_device, args.openfold_checkpoint_path, args.jax_param_path, args.output_dir) output_name = f'{query_tag}_{args.config_preset}' for model, output_directory in model_generator: out = run_model(model, processed_feature_dict, query_tag, args.output_dir) # Toss out the recycling dimensions --- we don't need them anymore processed_feature_dict = tensor_tree_map( lambda x: numpy.array(x[..., -1].cpu()), processed_feature_dict ) out = tensor_tree_map(lambda x: numpy.array(x.cpu()), out) unrelaxed_protein = prep_output( out, processed_feature_dict, feature_dict, feature_processor, args.config_preset, 200, # this is the ri_multimer_gap. There's no multimer sequences here, so it doesnt matter what its set to args.subtract_plddt ) unrelaxed_output_path = os.path.join( output_directory, f'{output_name}_unrelaxed.pdb' ) with open(unrelaxed_output_path, 'w') as fp: fp.write(protein.to_pdb(unrelaxed_protein)) logger.info(f"Output written to {unrelaxed_output_path}...") logger.info(f"Running relaxation on {unrelaxed_output_path}...") relax_protein(config, args.model_device, unrelaxed_protein, output_directory, output_name, False) if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument("input_fasta", type=str, help="the path to a fasta file containing a single sequence to thread") parser.add_argument("input_mmcif", type=str, help="the path to an mmcif file to thread the sequence on to") parser.add_argument("--template_id", type=str, help="a PDB id or other identifier for the template") parser.add_argument( "--chain_id", type=str, help="""The chain ID of the chain in the template to use""" ) parser.add_argument( "--model_device", type=str, default="cpu", help="""Name of the device on which to run the model. Any valid torch device name is accepted (e.g. "cpu", "cuda:0")""" ) parser.add_argument( "--config_preset", type=str, default="model_1", help="""Name of a model config preset defined in openfold/config.py""" ) parser.add_argument( "--jax_param_path", type=str, default=None, help="""Path to JAX model parameters. If None, and openfold_checkpoint_path is also None, parameters are selected automatically according to the model name from openfold/resources/params""" ) parser.add_argument( "--openfold_checkpoint_path", type=str, default=None, help="""Path to OpenFold checkpoint. Can be either a DeepSpeed checkpoint directory or a .pt file""" ) parser.add_argument( "--output_dir", type=str, default=os.getcwd(), help="""Name of the directory in which to output the prediction""", ) parser.add_argument( "--subtract_plddt", action="store_true", default=False, help=""""Whether to output (100 - pLDDT) in the B-factor column instead of the pLDDT itself""" ) parser.add_argument( "--data_random_seed", type=str, default=None ) add_data_args(parser) args = parser.parse_args() if(args.jax_param_path is None and args.openfold_checkpoint_path is None): args.jax_param_path = os.path.join( "openfold", "resources", "params", "params_" + args.config_preset + ".npz" ) if(args.model_device == "cpu" and torch.cuda.is_available()): logging.warning( """The model is being run on CPU. Consider specifying --model_device for better performance""" ) main(args) ================================================ FILE: vendor/openfold/train_openfold.py ================================================ import argparse import logging import os import random import sys import time import numpy as np import pytorch_lightning as pl from pytorch_lightning.callbacks.lr_monitor import LearningRateMonitor from pytorch_lightning.callbacks.model_checkpoint import ModelCheckpoint from pytorch_lightning.loggers import WandbLogger from pytorch_lightning.plugins.training_type import DeepSpeedPlugin, DDPPlugin from pytorch_lightning.plugins.environments import SLURMEnvironment import torch from openfold.config import model_config from openfold.data.data_modules import ( OpenFoldDataModule, DummyDataLoader, ) from openfold.model.model import AlphaFold from openfold.model.torchscript import script_preset_ from openfold.np import residue_constants from openfold.utils.argparse import remove_arguments from openfold.utils.callbacks import ( EarlyStoppingVerbose, ) from openfold.utils.exponential_moving_average import ExponentialMovingAverage from openfold.utils.loss import AlphaFoldLoss, lddt_ca from openfold.utils.lr_schedulers import AlphaFoldLRScheduler from openfold.utils.seed import seed_everything from openfold.utils.superimposition import superimpose from openfold.utils.tensor_utils import tensor_tree_map from openfold.utils.validation_metrics import ( drmsd, gdt_ts, gdt_ha, ) from openfold.utils.import_weights import ( import_jax_weights_, ) from scripts.zero_to_fp32 import ( get_fp32_state_dict_from_zero_checkpoint, get_global_step_from_zero_checkpoint ) from openfold.utils.logger import PerformanceLoggingCallback class OpenFoldWrapper(pl.LightningModule): def __init__(self, config): super(OpenFoldWrapper, self).__init__() self.config = config self.model = AlphaFold(config) self.loss = AlphaFoldLoss(config.loss) self.ema = ExponentialMovingAverage( model=self.model, decay=config.ema.decay ) self.cached_weights = None self.last_lr_step = -1 def forward(self, batch): return self.model(batch) def _log(self, loss_breakdown, batch, outputs, train=True): phase = "train" if train else "val" for loss_name, indiv_loss in loss_breakdown.items(): self.log( f"{phase}/{loss_name}", indiv_loss, on_step=train, on_epoch=(not train), logger=True, ) if(train): self.log( f"{phase}/{loss_name}_epoch", indiv_loss, on_step=False, on_epoch=True, logger=True, ) with torch.no_grad(): other_metrics = self._compute_validation_metrics( batch, outputs, superimposition_metrics=(not train) ) for k,v in other_metrics.items(): self.log( f"{phase}/{k}", torch.mean(v), on_step=False, on_epoch=True, logger=True ) def training_step(self, batch, batch_idx): if(self.ema.device != batch["aatype"].device): self.ema.to(batch["aatype"].device) # Run the model outputs = self(batch) # Remove the recycling dimension batch = tensor_tree_map(lambda t: t[..., -1], batch) # Compute loss loss, loss_breakdown = self.loss( outputs, batch, _return_breakdown=True ) # Log it self._log(loss_breakdown, batch, outputs) return loss def on_before_zero_grad(self, *args, **kwargs): self.ema.update(self.model) def validation_step(self, batch, batch_idx): # At the start of validation, load the EMA weights if(self.cached_weights is None): # model.state_dict() contains references to model weights rather # than copies. Therefore, we need to clone them before calling # load_state_dict(). clone_param = lambda t: t.detach().clone() self.cached_weights = tensor_tree_map(clone_param, self.model.state_dict()) self.model.load_state_dict(self.ema.state_dict()["params"]) # Run the model outputs = self(batch) batch = tensor_tree_map(lambda t: t[..., -1], batch) # Compute loss and other metrics batch["use_clamped_fape"] = 0. _, loss_breakdown = self.loss( outputs, batch, _return_breakdown=True ) self._log(loss_breakdown, batch, outputs, train=False) def validation_epoch_end(self, _): # Restore the model weights to normal self.model.load_state_dict(self.cached_weights) self.cached_weights = None def _compute_validation_metrics(self, batch, outputs, superimposition_metrics=False ): metrics = {} gt_coords = batch["all_atom_positions"] pred_coords = outputs["final_atom_positions"] all_atom_mask = batch["all_atom_mask"] # This is super janky for superimposition. Fix later gt_coords_masked = gt_coords * all_atom_mask[..., None] pred_coords_masked = pred_coords * all_atom_mask[..., None] ca_pos = residue_constants.atom_order["CA"] gt_coords_masked_ca = gt_coords_masked[..., ca_pos, :] pred_coords_masked_ca = pred_coords_masked[..., ca_pos, :] all_atom_mask_ca = all_atom_mask[..., ca_pos] lddt_ca_score = lddt_ca( pred_coords, gt_coords, all_atom_mask, eps=self.config.globals.eps, per_residue=False, ) metrics["lddt_ca"] = lddt_ca_score drmsd_ca_score = drmsd( pred_coords_masked_ca, gt_coords_masked_ca, mask=all_atom_mask_ca, # still required here to compute n ) metrics["drmsd_ca"] = drmsd_ca_score if(superimposition_metrics): superimposed_pred, alignment_rmsd = superimpose( gt_coords_masked_ca, pred_coords_masked_ca, all_atom_mask_ca, ) gdt_ts_score = gdt_ts( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) gdt_ha_score = gdt_ha( superimposed_pred, gt_coords_masked_ca, all_atom_mask_ca ) metrics["alignment_rmsd"] = alignment_rmsd metrics["gdt_ts"] = gdt_ts_score metrics["gdt_ha"] = gdt_ha_score return metrics def configure_optimizers(self, learning_rate: float = 1e-3, eps: float = 1e-5, ) -> torch.optim.Adam: # return torch.optim.Adam( # self.model.parameters(), # lr=learning_rate, # eps=eps # ) # Ignored as long as a DeepSpeed optimizer is configured optimizer = torch.optim.Adam( self.model.parameters(), lr=learning_rate, eps=eps ) if self.last_lr_step != -1: for group in optimizer.param_groups: if 'initial_lr' not in group: group['initial_lr'] = learning_rate lr_scheduler = AlphaFoldLRScheduler( optimizer, ) return { "optimizer": optimizer, "lr_scheduler": { "scheduler": lr_scheduler, "interval": "step", "name": "AlphaFoldLRScheduler", } } def on_load_checkpoint(self, checkpoint): ema = checkpoint["ema"] if(not self.model.template_config.enabled): ema["params"] = {k:v for k,v in ema["params"].items() if not "template" in k} self.ema.load_state_dict(ema) def on_save_checkpoint(self, checkpoint): checkpoint["ema"] = self.ema.state_dict() def resume_last_lr_step(self, lr_step): self.last_lr_step = lr_step def load_from_jax(self, jax_path): model_basename = os.path.splitext( os.path.basename( os.path.normpath(jax_path) ) )[0] model_version = "_".join(model_basename.split("_")[1:]) import_jax_weights_( self.model, jax_path, version=model_version ) def main(args): if(args.seed is not None): seed_everything(args.seed) config = model_config( args.config_preset, train=True, low_prec=(str(args.precision) == "16") ) model_module = OpenFoldWrapper(config) if(args.resume_from_ckpt): if(os.path.isdir(args.resume_from_ckpt)): last_global_step = get_global_step_from_zero_checkpoint(args.resume_from_ckpt) else: sd = torch.load(args.resume_from_ckpt) last_global_step = int(sd['global_step']) model_module.resume_last_lr_step(last_global_step) logging.info("Successfully loaded last lr step...") if(args.resume_from_ckpt and args.resume_model_weights_only): if(os.path.isdir(args.resume_from_ckpt)): sd = get_fp32_state_dict_from_zero_checkpoint(args.resume_from_ckpt) else: sd = torch.load(args.resume_from_ckpt) sd = {k[len("module."):]:v for k,v in sd.items()} model_module.load_state_dict(sd) logging.info("Successfully loaded model weights...") if(args.resume_from_jax_params): model_module.load_from_jax(args.resume_from_jax_params) logging.info(f"Successfully loaded JAX parameters at {args.resume_from_jax_params}...") # TorchScript components of the model if(args.script_modules): script_preset_(model_module) #data_module = DummyDataLoader("new_batch.pickle") data_module = OpenFoldDataModule( config=config.data, batch_seed=args.seed, **vars(args) ) data_module.prepare_data() data_module.setup() callbacks = [] if(args.checkpoint_every_epoch): mc = ModelCheckpoint( every_n_epochs=1, auto_insert_metric_name=False, save_top_k=-1, ) callbacks.append(mc) if(args.early_stopping): es = EarlyStoppingVerbose( monitor="val/lddt_ca", min_delta=args.min_delta, patience=args.patience, verbose=False, mode="max", check_finite=True, strict=True, ) callbacks.append(es) if(args.log_performance): global_batch_size = args.num_nodes * args.gpus perf = PerformanceLoggingCallback( log_file=os.path.join(args.output_dir, "performance_log.json"), global_batch_size=global_batch_size, ) callbacks.append(perf) if(args.log_lr): lr_monitor = LearningRateMonitor(logging_interval="step") callbacks.append(lr_monitor) loggers = [] if(args.wandb): wdb_logger = WandbLogger( name=args.experiment_name, save_dir=args.output_dir, id=args.wandb_id, project=args.wandb_project, **{"entity": args.wandb_entity} ) loggers.append(wdb_logger) if(args.deepspeed_config_path is not None): strategy = DeepSpeedPlugin( config=args.deepspeed_config_path, ) if(args.wandb): wdb_logger.experiment.save(args.deepspeed_config_path) wdb_logger.experiment.save("openfold/config.py") elif (args.gpus is not None and args.gpus > 1) or args.num_nodes > 1: strategy = DDPPlugin(find_unused_parameters=False) else: strategy = None if(args.wandb): freeze_path = f"{wdb_logger.experiment.dir}/package_versions.txt" os.system(f"{sys.executable} -m pip freeze > {freeze_path}") wdb_logger.experiment.save(f"{freeze_path}") trainer = pl.Trainer.from_argparse_args( args, default_root_dir=args.output_dir, strategy=strategy, callbacks=callbacks, logger=loggers, ) if(args.resume_model_weights_only): ckpt_path = None else: ckpt_path = args.resume_from_ckpt trainer.fit( model_module, datamodule=data_module, ckpt_path=ckpt_path, ) def bool_type(bool_str: str): bool_str_lower = bool_str.lower() if bool_str_lower in ('false', 'f', 'no', 'n', '0'): return False elif bool_str_lower in ('true', 't', 'yes', 'y', '1'): return True else: raise ValueError(f'Cannot interpret {bool_str} as bool') if __name__ == "__main__": parser = argparse.ArgumentParser() parser.add_argument( "train_data_dir", type=str, help="Directory containing training mmCIF files" ) parser.add_argument( "train_alignment_dir", type=str, help="Directory containing precomputed training alignments" ) parser.add_argument( "template_mmcif_dir", type=str, help="Directory containing mmCIF files to search for templates" ) parser.add_argument( "output_dir", type=str, help='''Directory in which to output checkpoints, logs, etc. Ignored if not on rank 0''' ) parser.add_argument( "max_template_date", type=str, help='''Cutoff for all templates. In training mode, templates are also filtered by the release date of the target''' ) parser.add_argument( "--use_single_seq_mode", type=str, default=False, help="Use single sequence embeddings instead of MSAs." ) parser.add_argument( "--distillation_data_dir", type=str, default=None, help="Directory containing training PDB files" ) parser.add_argument( "--distillation_alignment_dir", type=str, default=None, help="Directory containing precomputed distillation alignments" ) parser.add_argument( "--val_data_dir", type=str, default=None, help="Directory containing validation mmCIF files" ) parser.add_argument( "--val_alignment_dir", type=str, default=None, help="Directory containing precomputed validation alignments" ) parser.add_argument( "--kalign_binary_path", type=str, default='/usr/bin/kalign', help="Path to the kalign binary" ) parser.add_argument( "--train_filter_path", type=str, default=None, help='''Optional path to a text file containing names of training examples to include, one per line. Used to filter the training set''' ) parser.add_argument( "--distillation_filter_path", type=str, default=None, help="""See --train_filter_path""" ) parser.add_argument( "--obsolete_pdbs_file_path", type=str, default=None, help="""Path to obsolete.dat file containing list of obsolete PDBs and their replacements.""" ) parser.add_argument( "--template_release_dates_cache_path", type=str, default=None, help="""Output of scripts/generate_mmcif_cache.py run on template mmCIF files.""" ) parser.add_argument( "--use_small_bfd", type=bool_type, default=False, help="Whether to use a reduced version of the BFD database" ) parser.add_argument( "--seed", type=int, default=None, help="Random seed" ) parser.add_argument( "--deepspeed_config_path", type=str, default=None, help="Path to DeepSpeed config. If not provided, DeepSpeed is disabled" ) parser.add_argument( "--checkpoint_every_epoch", action="store_true", default=False, help="""Whether to checkpoint at the end of every training epoch""" ) parser.add_argument( "--early_stopping", type=bool_type, default=False, help="Whether to stop training when validation loss fails to decrease" ) parser.add_argument( "--min_delta", type=float, default=0, help="""The smallest decrease in validation loss that counts as an improvement for the purposes of early stopping""" ) parser.add_argument( "--patience", type=int, default=3, help="Early stopping patience" ) parser.add_argument( "--resume_from_ckpt", type=str, default=None, help="Path to a model checkpoint from which to restore training state" ) parser.add_argument( "--resume_model_weights_only", type=bool_type, default=False, help="Whether to load just model weights as opposed to training state" ) parser.add_argument( "--resume_from_jax_params", type=str, default=None, help="""Path to an .npz JAX parameter file with which to initialize the model""" ) parser.add_argument( "--log_performance", type=bool_type, default=False, help="Measure performance" ) parser.add_argument( "--wandb", action="store_true", default=False, help="Whether to log metrics to Weights & Biases" ) parser.add_argument( "--experiment_name", type=str, default=None, help="Name of the current experiment. Used for wandb logging" ) parser.add_argument( "--wandb_id", type=str, default=None, help="ID of a previous run to be resumed" ) parser.add_argument( "--wandb_project", type=str, default=None, help="Name of the wandb project to which this run will belong" ) parser.add_argument( "--wandb_entity", type=str, default=None, help="wandb username or team name to which runs are attributed" ) parser.add_argument( "--script_modules", type=bool_type, default=False, help="Whether to TorchScript eligible components of them model" ) parser.add_argument( "--train_chain_data_cache_path", type=str, default=None, ) parser.add_argument( "--distillation_chain_data_cache_path", type=str, default=None, ) parser.add_argument( "--train_epoch_len", type=int, default=10000, help=( "The virtual length of each training epoch. Stochastic filtering " "of training data means that training datasets have no " "well-defined length. This virtual length affects frequency of " "validation & checkpointing (by default, one of each per epoch)." ) ) parser.add_argument( "--log_lr", action="store_true", default=False, help="Whether to log the actual learning rate" ) parser.add_argument( "--config_preset", type=str, default="initial_training", help=( 'Config setting. Choose e.g. "initial_training", "finetuning", ' '"model_1", etc. By default, the actual values in the config are ' 'used.' ) ) parser.add_argument( "--_distillation_structure_index_path", type=str, default=None, ) parser.add_argument( "--alignment_index_path", type=str, default=None, help="Training alignment index. See the README for instructions." ) parser.add_argument( "--distillation_alignment_index_path", type=str, default=None, help="Distillation alignment index. See the README for instructions." ) parser = pl.Trainer.add_argparse_args(parser) # Disable the initial validation pass parser.set_defaults( num_sanity_val_steps=0, ) # Remove some buggy/redundant arguments introduced by the Trainer remove_arguments( parser, [ "--accelerator", "--resume_from_checkpoint", "--reload_dataloaders_every_epoch", "--reload_dataloaders_every_n_epochs", ] ) args = parser.parse_args() if(args.seed is None and ((args.gpus is not None and args.gpus > 1) or (args.num_nodes is not None and args.num_nodes > 1))): raise ValueError("For distributed training, --seed must be specified") if(str(args.precision) == "16" and args.deepspeed_config_path is not None): raise ValueError("DeepSpeed and FP16 training are not compatible") if(args.resume_from_jax_params is not None and args.resume_from_ckpt is not None): raise ValueError("Choose between loading pretrained Jax-weights and a checkpoint-path") # This re-applies the training-time filters at the beginning of every epoch args.reload_dataloaders_every_n_epochs = 1 main(args)